A0A3B4C5H1_PYGNA Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB , UniProt , Accession A0A3B4C5H1, Species PYGNA (Pygocentrus nattereri, Red-bellied piranha), Gene n/a, Length 154 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M64Low90.4Very high156 Ų15667.5 Ų67.577%0.76833%0.327SS*.  0155.90-64.8-128.4-85.400110.4A3 S4 R5M1-A3 PolarHBondContact O-N 2.63Å; M1-S4 PolarHBondContact O-N 2.77Å; M1-R5 PolarHBondContact O-N 3.34Å
2A83.2Confident90.7Very high69 Ų6968.4 Ų68.457%0.5733%0.334SS*.Hα-helixtrans-61.3-40.6-177.900000113.1S4 R5 R6A2-S4 PolarHBondContact O-N 3.44Å; A2-R5 PolarHBondContact O-N 3.35Å; A2-R6 PolarHBondContact O-N 3.05Å
3A88.8Confident91Very high5 Ų570.4 Ų70.44%0.04134%0.342CS..Hα-helixtrans-54.3-52.9174.300000111.8M1 R5 R6 L7 L33 Y61M1-A3 PolarHBondContact O-N 2.63Å; A3-R5 PolarHBondContact O-N 3.11Å; A3-R6 PolarHBondContact O-N 2.78Å; A3-R6 VanDerWaalsContact O-N 3.16Å; A3-L7 WeakPolarHBondContact O-CG 3.28Å; A3-L7 PolarHBondContact O-N 2.89Å; A3-L33 HydrophobicContact CB-CD2 4.44Å; A3-Y61 WeakPolarHBondContact CA-O 3.41Å; A3-Y61 WeakPolarHBondContact CB-O 3.31Å
4S91.4Very high91.2Very high30 Ų3065.7 Ų65.721%0.2132%0.32CS..Hα-helixtrans-56.8-45.9-178.3-46.10000112.2M1 A2 R6 L7 H8M1-S4 PolarHBondContact O-N 2.77Å; A2-S4 PolarHBondContact O-N 3.44Å; S4-R6 VanDerWaalsContact C-N 3.3Å; S4-R6 PolarHBondContact O-N 3.24Å; S4-L7 PolarHBondContact O-N 3.25Å; S4-H8 PolarHBondContact O-N 2.81Å; S4-H8 PolarHBondContact O-ND1 3.22Å
5R92.9Very high91.3Very high170 Ų17070 Ų7064%0.64233%0.331SS*.Hα-helixtrans-62.1-38.1-179.1-73.8-168.8-64.5-100.61.4112.5M1 A2 A3 K9M1-R5 PolarHBondContact O-N 3.34Å; A2-R5 PolarHBondContact O-N 3.35Å; A3-R5 PolarHBondContact O-N 3.11Å; R5-K9 PolarHBondContact O-N 3.04Å
6R95.3Very high91.3Very high61 Ų6176.7 Ų76.723%0.2336%0.358CS..Hα-helixtrans-68.1-46.9176.4176.1173.1170.6161.4-8.9111.2A2 A3 S4 H8 K9 E10 Y61 P62 P97 T99A2-R6 PolarHBondContact O-N 3.05Å; A3-R6 PolarHBondContact O-N 2.78Å; A3-R6 VanDerWaalsContact O-N 3.16Å; S4-R6 VanDerWaalsContact C-N 3.3Å; S4-R6 PolarHBondContact O-N 3.24Å; R6-H8 VanDerWaalsContact C-N 3.35Å; R6-H8 PolarHBondContact O-N 2.88Å; R6-K9 WeakPolarHBondContact O-CB 3.36Å; R6-K9 PolarHBondContact O-N 3.39Å; R6-K9 VanDerWaalsContact O-N 3.13Å; R6-E10 HydrophobicContact CG-CG 4.44Å; R6-E10 WeakPolarHBondContact CG-OE1 3.19Å; R6-E10 IonicContact CZ-OE1 3.38Å; R6-E10 IonicContact NE-OE1 2.73Å; R6-E10 PolarHBondContact NE-OE1 3.42Å; R6-E10 IonicContact NH2-OE1 2.69Å; R6-E10 PolarHBondContact NH2-OE1 3.49Å; R6-E10 PolarHBondContact O-N 2.85Å; R6-Y61 HydrophobicContact CG-CE1 4.17Å; R6-Y61 PolarHBondContact NH2-OH 2.81Å; R6-P62 VanDerWaalsContact NH1-CG 3.26Å; R6-P97 PolarHBondContact NH1-O 2.97Å; R6-P97 PolarHBondContact NH2-O 2.84Å; R6-T99 PolarHBondContact NH2-O 3.43Å
7L96.6Very high91.1Very high0 Ų076.6 Ų76.60%037%0.368CS..Hα-helixtrans-62.3-38.6-179.5-70.4170.5000112.9A3 S4 K9 E10 L11 I32 L33 W35 F57 Y61A3-L7 WeakPolarHBondContact O-CG 3.28Å; A3-L7 PolarHBondContact O-N 2.89Å; S4-L7 PolarHBondContact O-N 3.25Å; L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 2.86Å; L7-E10 PolarHBondContact O-N 2.98Å; L7-L11 VanDerWaalsContact O-CB 3.27Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 PolarHBondContact O-N 2.86Å; L7-I32 HydrophobicContact CB-CG1 3.73Å; L7-I32 HydrophobicContact CD1-CG2 4.5Å; L7-L33 HydrophobicContact CD1-CD2 3.57Å; L7-W35 HydrophobicContact CB-CZ2 4.04Å; L7-W35 HydrophobicContact CD2-CZ2 3.95Å; L7-W35 WeakPolarHBondContact O-CZ2 2.97Å; L7-F57 HydrophobicContact CD1-CB 3.99Å; L7-F57 HydrophobicContact CD1-CD1 4.37Å; L7-F57 HydrophobicContact CD1-CD2 4.19Å; L7-F57 HydrophobicContact CD1-CG 3.92Å; L7-F57 HydrophobicContact CD2-CD1 3.5Å; L7-F57 HydrophobicContact CD2-CD2 4.03Å; L7-F57 HydrophobicContact CD2-CE1 3.46Å; L7-F57 VanDerWaalsContact CD2-CE1 3.46Å; L7-F57 HydrophobicContact CD2-CE2 4.02Å; L7-F57 HydrophobicContact CD2-CG 3.79Å; L7-F57 HydrophobicContact CD2-CZ 3.73Å; L7-Y61 HydrophobicContact CD1-CD1 4.3Å; L7-Y61 HydrophobicContact CD2-CD1 3.9Å; L7-Y61 HydrophobicContact CD2-CE1 3.62Å; L7-Y61 HydrophobicContact CG-CD1 3.98Å; L7-Y61 HydrophobicContact CG-CE1 4.04Å
8H95Very high90.5Very high91 Ų9174.5 Ų74.542%0.42137%0.37SS..Hα-helixtrans-59.6-45.1173.1-75.388.1000111.8S4 R6 L11 D12S4-H8 PolarHBondContact O-N 2.81Å; S4-H8 PolarHBondContact O-ND1 3.22Å; R6-H8 VanDerWaalsContact C-N 3.35Å; R6-H8 PolarHBondContact O-N 2.88Å; H8-L11 PolarHBondContact O-N 3.38Å; H8-D12 PolarHBondContact O-N 2.74Å
9K95.5Very high90Very high145 Ų14572.1 Ų72.163%0.6336%0.358SS*.Hα-helixtrans-62.6-45.8177.1-70.3-176.6176.7-170.20112.1R5 R6 L7 L11 D12 E13R5-K9 PolarHBondContact O-N 3.04Å; R6-K9 WeakPolarHBondContact O-CB 3.36Å; R6-K9 PolarHBondContact O-N 3.39Å; R6-K9 VanDerWaalsContact O-N 3.13Å; L7-K9 VanDerWaalsContact C-N 3.34Å; L7-K9 PolarHBondContact O-N 2.86Å; K9-L11 VanDerWaalsContact C-N 3.35Å; K9-D12 PolarHBondContact O-N 2.84Å; K9-E13 WeakPolarHBondContact O-CB 3.38Å; K9-E13 WeakPolarHBondContact O-CG 3.47Å; K9-E13 PolarHBondContact O-N 3.25Å
10E95.9Very high89.8Confident9 Ų976.8 Ų76.84%0.04238%0.376CS..Hα-helixtrans-64.4-39.3178.2-71.5-172.8-14600112.1R6 L7 E13 I14 W35 Y61 T101R6-E10 HydrophobicContact CG-CG 4.44Å; R6-E10 WeakPolarHBondContact CG-OE1 3.19Å; R6-E10 IonicContact CZ-OE1 3.38Å; R6-E10 IonicContact NE-OE1 2.73Å; R6-E10 PolarHBondContact NE-OE1 3.42Å; R6-E10 IonicContact NH2-OE1 2.69Å; R6-E10 PolarHBondContact NH2-OE1 3.49Å; R6-E10 PolarHBondContact O-N 2.85Å; L7-E10 PolarHBondContact O-N 2.98Å; E10-E13 PolarHBondContact O-N 3.11Å; E10-I14 WeakPolarHBondContact O-CB 3.39Å; E10-I14 WeakPolarHBondContact O-CD1 3.28Å; E10-I14 VanDerWaalsContact O-CG1 3.25Å; E10-I14 WeakPolarHBondContact O-CG1 3.28Å; E10-I14 PolarHBondContact O-N 2.72Å; E10-W35 HydrophobicContact CB-CH2 4.26Å; E10-Y61 PolarHBondContact OE1-OH 3.44Å; E10-Y61 VanDerWaalsContact OE1-OH 3.11Å; E10-Y61 PolarHBondContact OE2-OH 2.97Å; E10-T101 WeakPolarHBondContact OE2-CB 3.2Å; E10-T101 PolarHBondContact OE2-N 2.8Å; E10-T101 PolarHBondContact OE2-OG1 3.23Å
11L95.3Very high89.8Confident7 Ų775.1 Ų75.14%0.03737%0.369CS..Hα-helixtrans-62.5-44.2175.9-177.461000111.4L7 H8 K9 I14 R15 I25 V27 I32 W35L7-L11 VanDerWaalsContact O-CB 3.27Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 PolarHBondContact O-N 2.86Å; H8-L11 PolarHBondContact O-N 3.38Å; K9-L11 VanDerWaalsContact C-N 3.35Å; L11-I14 PolarHBondContact O-N 3.49Å; L11-R15 WeakPolarHBondContact O-CB 3.45Å; L11-R15 WeakPolarHBondContact O-CG 3.48Å; L11-R15 PolarHBondContact O-N 3.36Å; L11-I25 HydrophobicContact CD1-CG2 3.77Å; L11-V27 HydrophobicContact CD1-CG2 3.83Å; L11-V27 HydrophobicContact CD2-CB 4.05Å; L11-V27 HydrophobicContact CD2-CG1 4.38Å; L11-V27 HydrophobicContact CD2-CG2 3.76Å; L11-V27 HydrophobicContact CG-CG2 4.47Å; L11-I32 HydrophobicContact CD2-CD1 3.94Å; L11-W35 HydrophobicContact CB-CH2 3.7Å; L11-W35 HydrophobicContact CB-CZ2 3.74Å; L11-W35 HydrophobicContact CB-CZ3 4.44Å; L11-W35 HydrophobicContact CD1-CD2 4.39Å; L11-W35 HydrophobicContact CD1-CE3 4.2Å; L11-W35 HydrophobicContact CD1-CH2 4.13Å; L11-W35 HydrophobicContact CD1-CZ2 4.3Å; L11-W35 HydrophobicContact CD1-CZ3 4.06Å; L11-W35 HydrophobicContact CG-CH2 4.49Å; L11-W35 HydrophobicContact CG-CZ2 4.46Å
12D94.6Very high91.2Very high78 Ų7867.9 Ų67.942%0.41733%0.333SS..Hα-helixtrans-64.7-42.3177-73.3-16.4000111.7H8 K9 R15 K16H8-D12 PolarHBondContact O-N 2.74Å; K9-D12 PolarHBondContact O-N 2.84Å; D12-R15 PolarHBondContact O-N 3.13Å; D12-K16 WeakPolarHBondContact O-CB 3.28Å; D12-K16 WeakPolarHBondContact O-CG 3.43Å; D12-K16 PolarHBondContact O-N 2.92Å
13E94.3Very high91.7Very high94 Ų9468.7 Ų68.744%0.43932%0.321SS..Hα-helixtrans-60.6-45174.8-75.9175.5-165.600111.2K9 E10 K16 S17 K100K9-E13 WeakPolarHBondContact O-CB 3.38Å; K9-E13 WeakPolarHBondContact O-CG 3.47Å; K9-E13 PolarHBondContact O-N 3.25Å; E10-E13 PolarHBondContact O-N 3.11Å; E13-K16 PolarHBondContact O-N 3.39Å; E13-S17 WeakPolarHBondContact O-CB 3.42Å; E13-S17 PolarHBondContact O-N 3.19Å; E13-K100 IonicContact OE2-NZ 3.45Å; E13-K100 PolarHBondContact OE2-NZ 2.85Å
14I93.9Very high91.9Very high5 Ų572.4 Ų72.43%0.02634%0.341CS..Hα-helixtrans-65.1-42.3178.3-74.7165000111.8E10 L11 K16 S17 M19 I25 W35 T101 D102 I105E10-I14 WeakPolarHBondContact O-CB 3.39Å; E10-I14 WeakPolarHBondContact O-CD1 3.28Å; E10-I14 VanDerWaalsContact O-CG1 3.25Å; E10-I14 WeakPolarHBondContact O-CG1 3.28Å; E10-I14 PolarHBondContact O-N 2.72Å; L11-I14 PolarHBondContact O-N 3.49Å; I14-K16 VanDerWaalsContact C-N 3.33Å; I14-S17 PolarHBondContact O-N 3.05Å; I14-S17 PolarHBondContact O-OG 3.5Å; I14-M19 HydrophobicContact CB-CE 4.42Å; I14-M19 HydrophobicContact CG1-CE 4.23Å; I14-M19 HydrophobicContact CG2-CE 3.49Å; I14-M19 VanDerWaalsContact CG2-CE 3.49Å; I14-I25 HydrophobicContact CG2-CD1 3.43Å; I14-I25 VanDerWaalsContact CG2-CD1 3.43Å; I14-W35 HydrophobicContact CD1-CH2 4.3Å; I14-W35 HydrophobicContact CD1-CZ3 3.76Å; I14-T101 HydrophobicContact CD1-CG2 4.19Å; I14-D102 HydrophobicContact CD1-CB 4.27Å; I14-D102 HydrophobicContact CG1-CB 3.98Å; I14-I105 HydrophobicContact CD1-CD1 4.22Å
15R92.1Very high92.1Very high130 Ų13072.4 Ų72.449%0.49134%0.338SS..Hα-helixtrans-65-39.6176.8-76.4174170.3170.8-3.7111.4L11 D12L11-R15 WeakPolarHBondContact O-CB 3.45Å; L11-R15 WeakPolarHBondContact O-CG 3.48Å; L11-R15 PolarHBondContact O-N 3.36Å; D12-R15 PolarHBondContact O-N 3.13Å
16K91.6Very high92.2Very high177 Ų17769.5 Ų69.577%0.7733%0.332SS*.Hα-helixtrans-72.9-33.2178.7-73.9172.8-176.5174.70113.4D12 E13 I14 G18D12-K16 WeakPolarHBondContact O-CB 3.28Å; D12-K16 WeakPolarHBondContact O-CG 3.43Å; D12-K16 PolarHBondContact O-N 2.92Å; E13-K16 PolarHBondContact O-N 3.39Å; I14-K16 VanDerWaalsContact C-N 3.33Å; K16-G18 PolarHBondContact O-N 3.32Å
17S88.2Confident92.2Very high75 Ų7567.9 Ų67.952%0.52433%0.329SS..Hα-helixtrans-67.4-20.417971.50000112.7E13 I14 M19E13-S17 WeakPolarHBondContact O-CB 3.42Å; E13-S17 PolarHBondContact O-N 3.19Å; I14-S17 PolarHBondContact O-N 3.05Å; I14-S17 PolarHBondContact O-OG 3.5Å; S17-M19 PolarHBondContact O-N 3.44Å; S17-M19 WeakPolarHBondContact OG-CG 3.49Å
18G79.6Confident91.9Very high39 Ų3972.2 Ų72.240%0.40235%0.352SS..THydrogen-bonded Turntrans6539.2176.700000112.5K16 K20K16-G18 PolarHBondContact O-N 3.32Å; G18-K20 PolarHBondContact O-N 2.94Å
19M82.3Confident91.2Very high29 Ų2977.2 Ų77.214%0.14338%0.375CS..  trans-49.5113177.6-69.8-158.6-6600110.7I14 S17 N21 F22 I105I14-M19 HydrophobicContact CB-CE 4.42Å; I14-M19 HydrophobicContact CG1-CE 4.23Å; I14-M19 HydrophobicContact CG2-CE 3.49Å; I14-M19 VanDerWaalsContact CG2-CE 3.49Å; S17-M19 PolarHBondContact O-N 3.44Å; S17-M19 WeakPolarHBondContact OG-CG 3.49Å; M19-N21 PolarHBondContact O-N 3.43Å; M19-F22 HydrophobicContact CB-CB 4.36Å; M19-F22 HydrophobicContact CE-CB 3.86Å; M19-F22 HydrophobicContact CE-CD1 3.71Å; M19-F22 HydrophobicContact CE-CG 4.19Å; M19-F22 VanDerWaalsContact O-O 3.06Å; M19-I105 HydrophobicContact CE-CB 4.45Å; M19-I105 HydrophobicContact CE-CD1 4.03Å; M19-I105 HydrophobicContact CE-CG2 4.04Å
20K84.8Confident90.9Very high166 Ų16675.3 Ų75.372%0.72238%0.38SS*.THydrogen-bonded Turntrans-66.2-32.4-178.6-64.7-173.5179.6-174.30112G18 R23G18-K20 PolarHBondContact O-N 2.94Å; K20-R23 WeakPolarHBondContact O-CD 3.45Å; K20-R23 VanDerWaalsContact O-CG 3.28Å; K20-R23 WeakPolarHBondContact O-CG 3.27Å
21N90.1Very high90.7Very high41 Ų4177.7 Ų77.722%0.21939%0.393CS..THydrogen-bonded Turntrans-93.7-0.4-169.2-56.122.8000112M19 I39 V40 D42 I109M19-N21 PolarHBondContact O-N 3.43Å; N21-I39 WeakPolarHBondContact O-CA 3.38Å; N21-V40 PolarHBondContact O-N 3.18Å; N21-D42 PolarHBondContact ND2-OD2 2.84Å; N21-D42 PolarHBondContact OD1-OD2 2.8Å; N21-I109 HydrophobicContact CB-CD1 3.84Å; N21-I109 HydrophobicContact CB-CG2 4.26Å
22F94Very high90.7Very high4 Ų478 Ų782%0.01839%0.394CS..EExtended strand (participates in β ladder)trans-137.3103.8174-172.6-119.3000110.3M19 I25 L38 I39 I53 I55 I105 I109M19-F22 HydrophobicContact CB-CB 4.36Å; M19-F22 HydrophobicContact CE-CB 3.86Å; M19-F22 HydrophobicContact CE-CD1 3.71Å; M19-F22 HydrophobicContact CE-CG 4.19Å; M19-F22 VanDerWaalsContact O-O 3.06Å; F22-I25 HydrophobicContact CD1-CD1 3.54Å; F22-I25 HydrophobicContact CD1-CG1 3.75Å; F22-I25 HydrophobicContact CE1-CD1 3.58Å; F22-I25 HydrophobicContact CE1-CG1 3.56Å; F22-I25 HydrophobicContact CE1-CG2 4.34Å; F22-I25 HydrophobicContact CZ-CG1 4.31Å; F22-L38 CarbonylContact C-O 3.54Å; F22-L38 WeakPolarHBondContact CA-O 3.49Å; F22-I39 HydrophobicContact CD2-CG1 4.19Å; F22-I53 HydrophobicContact CE2-CD1 3.74Å; F22-I53 HydrophobicContact CE2-CG1 3.82Å; F22-I53 HydrophobicContact CZ-CD1 4.34Å; F22-I55 HydrophobicContact CZ-CD1 4.49Å; F22-I105 HydrophobicContact CB-CG2 3.91Å; F22-I105 HydrophobicContact CD1-CD1 3.8Å; F22-I105 HydrophobicContact CD1-CG2 4.22Å; F22-I105 HydrophobicContact CD2-CG2 4.16Å; F22-I105 HydrophobicContact CE1-CD1 3.61Å; F22-I105 HydrophobicContact CG-CD1 4.46Å; F22-I105 HydrophobicContact CG-CG2 3.84Å; F22-I105 HydrophobicContact CZ-CD1 4.16Å; F22-I109 HydrophobicContact CB-CD1 4.44Å
23R93.6Very high90.8Very high86 Ų8676 Ų7633%0.32538%0.384SS..EExtended strand (participates in β ladder)trans-120.1173.6-168.9-56.9-68-82.8174.3-7.5111.2K20 I25 L38 V40 P152 D154K20-R23 WeakPolarHBondContact O-CD 3.45Å; K20-R23 VanDerWaalsContact O-CG 3.28Å; K20-R23 WeakPolarHBondContact O-CG 3.27Å; R23-I25 VanDerWaalsContact C-N 3.28Å; R23-I25 PolarHBondContact O-N 2.78Å; R23-L38 PolarHBondContact N-O 3.34Å; R23-L38 WeakPolarHBondContact O-CB 3.45Å; R23-L38 PolarHBondContact O-N 3.27Å; R23-V40 HydrophobicContact CB-CG2 4.28Å; R23-V40 HydrophobicContact CG-CG2 3.94Å; R23-P152 HydrophobicContact CB-CG 3.94Å; R23-P152 HydrophobicContact CG-CG 4.3Å; R23-D154 IonicContact CZ-OD1 2.69Å; R23-D154 IonicContact NE-OD1 2.7Å; R23-D154 IonicContact NH2-OD1 3.43Å; R23-D154 PolarHBondContact NH2-OD1 2.73Å
24N93Very high91Very high84 Ų8473.2 Ų73.245%0.44937%0.373SS..EExtended strand (participates in β ladder)trans51.745174.1-60.20.8000113.2Q26 L38N24-Q26 PolarHBondContact O-N 2.83Å; N24-L38 HydrophobicContact CB-CB 4.24Å
25I94.6Very high91.1Very high30 Ų3073 Ų7315%0.15437%0.372CS..EExtended strand (participates in β ladder)trans-70.8112.1-177.3-50.7176.9000109.6L11 I14 F22 R23 V27 Q36L11-I25 HydrophobicContact CD1-CG2 3.77Å; I14-I25 HydrophobicContact CG2-CD1 3.43Å; I14-I25 VanDerWaalsContact CG2-CD1 3.43Å; F22-I25 HydrophobicContact CD1-CD1 3.54Å; F22-I25 HydrophobicContact CD1-CG1 3.75Å; F22-I25 HydrophobicContact CE1-CD1 3.58Å; F22-I25 HydrophobicContact CE1-CG1 3.56Å; F22-I25 HydrophobicContact CE1-CG2 4.34Å; F22-I25 HydrophobicContact CZ-CG1 4.31Å; R23-I25 VanDerWaalsContact C-N 3.28Å; R23-I25 PolarHBondContact O-N 2.78Å; I25-V27 HydrophobicContact CG2-CG2 4.15Å; I25-Q36 CarbonylContact C-O 3.34Å; I25-Q36 WeakPolarHBondContact CA-O 3.42Å
26Q94.9Very high91.4Very high109 Ų10969.5 Ų69.551%0.50936%0.361SS..EExtended strand (participates in β ladder)trans-110.1125.8178.3-68.5175.1-900109N24 Q36N24-Q26 PolarHBondContact O-N 2.83Å; Q26-Q36 HydrophobicContact CB-CB 4.46Å; Q26-Q36 PolarHBondContact N-O 3.24Å; Q26-Q36 PolarHBondContact O-N 3.41Å
27V95.3Very high91.6Very high27 Ų2761 Ų6116%0.16433%0.325CS..EExtended strand (participates in β ladder)trans-136.3130176-173.80000107.5L11 I25 I32 W35L11-V27 HydrophobicContact CD1-CG2 3.83Å; L11-V27 HydrophobicContact CD2-CB 4.05Å; L11-V27 HydrophobicContact CD2-CG1 4.38Å; L11-V27 HydrophobicContact CD2-CG2 3.76Å; L11-V27 HydrophobicContact CG-CG2 4.47Å; I25-V27 HydrophobicContact CG2-CG2 4.15Å; V27-I32 HydrophobicContact CG1-CD1 3.8Å; V27-W35 HydrophobicContact CG1-CG 4.37Å; V27-W35 HydrophobicContact CG2-CB 4Å; V27-W35 HydrophobicContact CG2-CD2 4.02Å; V27-W35 HydrophobicContact CG2-CG 3.58Å
28D90.3Very high92Very high90 Ų9057.5 Ų57.548%0.48130%0.3SS..EExtended strand (participates in β ladder)trans-69.4128.7176.6-174.2-18.8000109.6S30 N31 I32D28-S30 PolarHBondContact O-N 2.99Å; D28-S30 WeakPolarHBondContact OD1-CB 3.19Å; D28-S30 PolarHBondContact OD1-N 3.19Å; D28-S30 PolarHBondContact OD1-OG 2.99Å; D28-S30 PolarHBondContact OD2-OG 3.43Å; D28-S30 VanDerWaalsContact OD2-OG 3.09Å; D28-N31 HydrophobicContact CB-CB 4.34Å; D28-N31 CarbonylContact O-C 3.56Å; D28-N31 PolarHBondContact O-N 2.94Å; D28-I32 PolarHBondContact O-N 2.69Å
29E81.9Confident92.8Very high196 Ų19655.7 Ų55.792%0.91628%0.281SS*.THydrogen-bonded Turntrans-61.8-31.3178.3-62.9-176.5170.300112
30S89.3Confident93.4Very high105 Ų10554.9 Ų54.973%0.73428%0.278SS*.THydrogen-bonded Turntrans-79.9-19.5176.674.20000113.1D28D28-S30 PolarHBondContact O-N 2.99Å; D28-S30 WeakPolarHBondContact OD1-CB 3.19Å; D28-S30 PolarHBondContact OD1-N 3.19Å; D28-S30 PolarHBondContact OD1-OG 2.99Å; D28-S30 PolarHBondContact OD2-OG 3.43Å; D28-S30 VanDerWaalsContact OD2-OG 3.09Å
31N91.9Very high93.9Very high59 Ų5947 Ų4732%0.31624%0.243SC..EExtended strand (participates in β ladder)trans-143.882.3-177.4-175.918.5000113D28 L33 T34D28-N31 HydrophobicContact CB-CB 4.34Å; D28-N31 CarbonylContact O-C 3.56Å; D28-N31 PolarHBondContact O-N 2.94Å; N31-L33 PolarHBondContact O-N 2.87Å; N31-L33 VanDerWaalsContact OD1-CB 3.26Å; N31-L33 WeakPolarHBondContact OD1-CB 3.28Å; N31-L33 PolarHBondContact OD1-N 3.29Å; N31-L33 VanDerWaalsContact OD1-N 3.09Å; N31-T34 PolarHBondContact ND2-OG1 3.11Å; N31-T34 PolarHBondContact O-N 3.11Å
32I95.4Very high93.9Very high13 Ų1349 Ų497%0.06725%0.254CS..EExtended strand (participates in β ladder)trans-60.4-10.6172.2-165.364.6000113.9L7 L11 V27 D28 T34 W35L7-I32 HydrophobicContact CB-CG1 3.73Å; L7-I32 HydrophobicContact CD1-CG2 4.5Å; L11-I32 HydrophobicContact CD2-CD1 3.94Å; V27-I32 HydrophobicContact CG1-CD1 3.8Å; D28-I32 PolarHBondContact O-N 2.69Å; I32-T34 VanDerWaalsContact C-N 3.32Å; I32-W35 VanDerWaalsContact O-CD1 3.27Å; I32-W35 PolarHBondContact O-NE1 3.39Å
33L96.7Very high93.7Very high36 Ų3652.1 Ų52.119%0.18827%0.271CS..EExtended strand (participates in β ladder)trans-83.9-4.9-178.1-56.7177.3000113.4A3 L7 N31 F57A3-L33 HydrophobicContact CB-CD2 4.44Å; L7-L33 HydrophobicContact CD1-CD2 3.57Å; N31-L33 PolarHBondContact O-N 2.87Å; N31-L33 VanDerWaalsContact OD1-CB 3.26Å; N31-L33 WeakPolarHBondContact OD1-CB 3.28Å; N31-L33 PolarHBondContact OD1-N 3.29Å; N31-L33 VanDerWaalsContact OD1-N 3.09Å; L33-F57 HydrophobicContact CB-CB 4.33Å; L33-F57 HydrophobicContact CD2-CB 4.14Å; L33-F57 WeakPolarHBondContact O-CD2 3.12Å; L33-F57 PolarHBondContact O-N 3.44Å
34T97.1Very high93.7Very high37 Ų3751.2 Ų51.223%0.22728%0.276CS..EExtended strand (participates in β ladder)trans-126.5116.4176.5-570000109.7N31 I32 E54 I55N31-T34 PolarHBondContact ND2-OG1 3.11Å; N31-T34 PolarHBondContact O-N 3.11Å; I32-T34 VanDerWaalsContact C-N 3.32Å; T34-E54 HydrophobicContact CG2-CG 3.92Å; T34-I55 WeakPolarHBondContact CA-O 3.37Å
35W97.3Very high93.9Very high0 Ų047.3 Ų47.30%026%0.256CS..EExtended strand (participates in β ladder)trans-112.4142.9177.3-60.48.8000109.3L7 E10 L11 I14 V27 I32 E54 I55 F57 T101L7-W35 HydrophobicContact CB-CZ2 4.04Å; L7-W35 HydrophobicContact CD2-CZ2 3.95Å; L7-W35 WeakPolarHBondContact O-CZ2 2.97Å; E10-W35 HydrophobicContact CB-CH2 4.26Å; L11-W35 HydrophobicContact CB-CH2 3.7Å; L11-W35 HydrophobicContact CB-CZ2 3.74Å; L11-W35 HydrophobicContact CB-CZ3 4.44Å; L11-W35 HydrophobicContact CD1-CD2 4.39Å; L11-W35 HydrophobicContact CD1-CE3 4.2Å; L11-W35 HydrophobicContact CD1-CH2 4.13Å; L11-W35 HydrophobicContact CD1-CZ2 4.3Å; L11-W35 HydrophobicContact CD1-CZ3 4.06Å; L11-W35 HydrophobicContact CG-CH2 4.49Å; L11-W35 HydrophobicContact CG-CZ2 4.46Å; I14-W35 HydrophobicContact CD1-CH2 4.3Å; I14-W35 HydrophobicContact CD1-CZ3 3.76Å; V27-W35 HydrophobicContact CG1-CG 4.37Å; V27-W35 HydrophobicContact CG2-CB 4Å; V27-W35 HydrophobicContact CG2-CD2 4.02Å; V27-W35 HydrophobicContact CG2-CG 3.58Å; I32-W35 VanDerWaalsContact O-CD1 3.27Å; I32-W35 PolarHBondContact O-NE1 3.39Å; W35-E54 CarbonylContact O-C 3.58Å; W35-E54 VanDerWaalsContact O-CA 3.3Å; W35-E54 WeakPolarHBondContact O-CA 3.34Å; W35-I55 HydrophobicContact CB-CB 4.33Å; W35-I55 PolarHBondContact N-O 3.5Å; W35-I55 PolarHBondContact O-N 2.97Å; W35-F57 HydrophobicContact CB-CE2 4.36Å; W35-F57 AromaticContact CD1-CE2 3.76Å; W35-F57 AromaticContact CD2-CE2 3.61Å; W35-F57 HydrophobicContact CD2-CE2 3.61Å; W35-F57 HydrophobicContact CD2-CZ 4.06Å; W35-F57 AromaticContact CE2-CE2 3.65Å; W35-F57 HydrophobicContact CE3-CE2 4.2Å; W35-F57 HydrophobicContact CE3-CZ 4.22Å; W35-F57 AromaticContact CG-CE2 3.68Å; W35-F57 HydrophobicContact CG-CE2 3.68Å; W35-F57 HydrophobicContact CH2-CZ 4.5Å; W35-F57 HydrophobicContact CZ2-CE2 4.27Å; W35-F57 HydrophobicContact CZ2-CZ 4.34Å; W35-F57 HydrophobicContact CZ3-CZ 4.44Å; W35-F57 AromaticContact NE1-CE2 3.71Å; W35-T101 HydrophobicContact CE3-CG2 4.17Å; W35-T101 HydrophobicContact CH2-CG2 4.34Å; W35-T101 HydrophobicContact CZ3-CG2 3.7Å
36Q97.2Very high94Very high56 Ų5645.9 Ų45.926%0.26225%0.248SC..EExtended strand (participates in β ladder)trans-120.1147.3165.8-67-173.4-0.800109.3I25 Q26 I53 E54I25-Q36 CarbonylContact C-O 3.34Å; I25-Q36 WeakPolarHBondContact CA-O 3.42Å; Q26-Q36 HydrophobicContact CB-CB 4.46Å; Q26-Q36 PolarHBondContact N-O 3.24Å; Q26-Q36 PolarHBondContact O-N 3.41Å; Q36-I53 WeakPolarHBondContact CA-O 3.22Å; Q36-E54 HydrophobicContact CG-CB 4.24Å; Q36-E54 HydrophobicContact CG-CG 4.16Å; Q36-E54 PolarHBondContact NE2-OE2 2.78Å
37G96.1Very high94.1Very high0 Ų042 Ų420%023%0.231CC..EExtended strand (participates in β ladder)trans-164.3170.5174.500000111R52 I53G37-R52 WeakPolarHBondContact O-CA 3.25Å; G37-I53 PolarHBondContact N-O 2.82Å; G37-I53 VanDerWaalsContact N-O 3.1Å; G37-I53 PolarHBondContact O-N 2.91Å
38L96.6Very high94Very high1 Ų146 Ų461%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-113.2113.5-171.8-164.775.5000109.3F22 R23 N24 V40 A50 R52 E149 P152F22-L38 CarbonylContact C-O 3.54Å; F22-L38 WeakPolarHBondContact CA-O 3.49Å; R23-L38 PolarHBondContact N-O 3.34Å; R23-L38 WeakPolarHBondContact O-CB 3.45Å; R23-L38 PolarHBondContact O-N 3.27Å; N24-L38 HydrophobicContact CB-CB 4.24Å; L38-V40 HydrophobicContact CD2-CG2 4.46Å; L38-A50 HydrophobicContact CD1-CB 3.94Å; L38-A50 HydrophobicContact CD2-CB 3.54Å; L38-A50 HydrophobicContact CG-CB 3.61Å; L38-R52 HydrophobicContact CD1-CB 4.08Å; L38-E149 HydrophobicContact CD1-CB 3.97Å; L38-E149 HydrophobicContact CD1-CG 4.31Å; L38-P152 HydrophobicContact CD2-CG 3.8Å
39I96.7Very high94.2Very high0 Ų041.7 Ų41.70%022%0.224CC..EExtended strand (participates in β ladder)trans-73.4130.6169.3-65.3178000108.2N21 F22 P41 A50 F51 I53 F70 L108 I109N21-I39 WeakPolarHBondContact O-CA 3.38Å; F22-I39 HydrophobicContact CD2-CG1 4.19Å; I39-P41 HydrophobicContact CG2-CG 4.05Å; I39-P41 WeakPolarHBondContact O-CD 3.15Å; I39-A50 CarbonylContact O-C 3.52Å; I39-A50 VanDerWaalsContact O-CA 3.28Å; I39-A50 WeakPolarHBondContact O-CA 3.27Å; I39-A50 WeakPolarHBondContact O-CB 3.46Å; I39-F51 HydrophobicContact CB-CB 4.49Å; I39-F51 PolarHBondContact N-O 2.91Å; I39-F51 PolarHBondContact O-N 3.42Å; I39-I53 HydrophobicContact CD1-CD1 4.06Å; I39-I53 HydrophobicContact CD1-CG1 4.4Å; I39-I53 HydrophobicContact CD1-CG2 3.66Å; I39-I53 HydrophobicContact CG1-CD1 4.21Å; I39-I53 HydrophobicContact CG1-CG1 4.31Å; I39-I53 HydrophobicContact CG1-CG2 4.16Å; I39-F70 HydrophobicContact CD1-CE1 4.23Å; I39-F70 HydrophobicContact CD1-CZ 4.03Å; I39-L108 HydrophobicContact CD1-CD2 3.6Å; I39-L108 HydrophobicContact CD1-CG 3.8Å; I39-I109 HydrophobicContact CG1-CG1 4.47Å; I39-I109 HydrophobicContact CG2-CG1 4.05Å
40V95.5Very high95Very high12 Ų1232.4 Ų32.47%0.07318%0.18CC..  trans-118.992.3177.8-174.60000107.3N21 R23 L38 A50 R151 P152N21-V40 PolarHBondContact O-N 3.18Å; R23-V40 HydrophobicContact CB-CG2 4.28Å; R23-V40 HydrophobicContact CG-CG2 3.94Å; L38-V40 HydrophobicContact CD2-CG2 4.46Å; V40-A50 HydrophobicContact CG2-CB 4.21Å; V40-R151 VanDerWaalsContact CG1-NH2 3.33Å; V40-P152 HydrophobicContact CG2-CG 4.18Å
41P94.4Very high95.4Very high0 Ų027.4 Ų27.40%015%0.145CC..  trans-68.4147.5179.5-20.334.8000111.2I39 F51 V112 R151I39-P41 HydrophobicContact CG2-CG 4.05Å; I39-P41 WeakPolarHBondContact O-CD 3.15Å; P41-F51 HydrophobicContact CG-CD2 3.84Å; P41-F51 HydrophobicContact CG-CE2 3.87Å; P41-V112 HydrophobicContact CB-CG1 4.33Å; P41-V112 HydrophobicContact CG-CG1 3.84Å; P41-R151 PolarHBondContact O-NH1 3.16Å; P41-R151 PolarHBondContact O-NH2 3.2Å
42D89.9Confident95.7Very high83 Ų8326.5 Ų26.544%0.44414%0.137SC..  trans-97.4-20.7177.4-62.6-43.8000112.1N21N21-D42 PolarHBondContact ND2-OD2 2.84Å; N21-D42 PolarHBondContact OD1-OD2 2.8Å
43N90.7Very high95.8Very high70 Ų7025.9 Ų25.937%0.37413%0.134SC..SBendtrans-100.7138.9-171.8-67.6-8.8000112.1Y46 D47 N113N43-Y46 PolarHBondContact O-N 2.86Å; N43-Y46 VanDerWaalsContact O-N 3.11Å; N43-D47 PolarHBondContact O-N 2.8Å; N43-D47 VanDerWaalsContact O-N 3.13Å; N43-N113 HydrophobicContact CB-CB 4.46Å
44P93.9Very high95.9Very high67 Ų6725.5 Ų25.544%0.43513%0.131SC..THydrogen-bonded Turntrans-56.5146163-22.232.9000110.6D47 F137P44-D47 WeakPolarHBondContact CA-OD1 3.45Å; P44-F137 HydrophobicContact CB-CD1 4.46Å; P44-F137 HydrophobicContact CB-CE1 4.29Å; P44-F137 WeakPolarHBondContact O-CE1 3.32Å
45P96.8Very high95.9Very high3 Ų323.8 Ų23.82%0.01912%0.121CC..THydrogen-bonded Turncis-89.86.29.635.3-36000115F136 F137 A140 E141P45-F136 HydrophobicContact CG-CE1 4.19Å; P45-F137 HydrophobicContact CB-CB 4.44Å; P45-F137 HydrophobicContact CB-CD1 4.15Å; P45-F137 HydrophobicContact CB-CG 4.29Å; P45-F137 WeakPolarHBondContact CB-O 3.23Å; P45-F137 HydrophobicContact CG-CD1 4.43Å; P45-F137 HydrophobicContact CG-CG 4.43Å; P45-A140 HydrophobicContact CB-CB 3.63Å; P45-A140 HydrophobicContact CG-CB 3.38Å; P45-E141 HydrophobicContact CB-CB 4.34Å
46Y97.3Very high96Very high0 Ų027.1 Ų27.10%014%0.138CC..THydrogen-bonded Turntrans-100.9-5.7-170.1-51.7-63.1000114.1N43 K48 G49 F51 I74 Y75 H76 V112 F136 A140N43-Y46 PolarHBondContact O-N 2.86Å; N43-Y46 VanDerWaalsContact O-N 3.11Å; Y46-K48 PolarHBondContact O-N 3.11Å; Y46-K48 VanDerWaalsContact O-N 3.11Å; Y46-G49 PolarHBondContact O-N 3.1Å; Y46-F51 HydrophobicContact CD1-CE2 4.45Å; Y46-F51 HydrophobicContact CD1-CZ 4.07Å; Y46-F51 HydrophobicContact CG-CE2 4.48Å; Y46-I74 HydrophobicContact CD1-CD1 4.18Å; Y46-I74 HydrophobicContact CD1-CG1 4.21Å; Y46-I74 HydrophobicContact CE1-CD1 4.19Å; Y46-I74 HydrophobicContact CE1-CG1 4.01Å; Y46-Y75 WeakPolarHBondContact CE1-O 3.14Å; Y46-Y75 PolarHBondContact OH-O 3.49Å; Y46-H76 AromaticContact CE2-CD2 3.65Å; Y46-H76 AromaticContact CZ-CD2 3.49Å; Y46-H76 VanDerWaalsContact CZ-CD2 3.49Å; Y46-H76 PolarHBondContact OH-CD2 3.38Å; Y46-V112 HydrophobicContact CD2-CG1 4.13Å; Y46-V112 VanDerWaalsContact CD2-O 3.22Å; Y46-V112 WeakPolarHBondContact CD2-O 3.45Å; Y46-V112 WeakPolarHBondContact CE2-O 3.33Å; Y46-V112 HydrophobicContact CG-CG1 4.48Å; Y46-F136 WeakPolarHBondContact OH-CZ 3.35Å; Y46-A140 HydrophobicContact CE1-CB 4.12Å
47D95.2Very high96Very high28 Ų2824.7 Ų24.715%0.1513%0.126CC..THydrogen-bonded Turntrans-63.8-11.6-178.270.9-38.4000114.8N43 P44 R151N43-D47 PolarHBondContact O-N 2.8Å; N43-D47 VanDerWaalsContact O-N 3.13Å; P44-D47 WeakPolarHBondContact CA-OD1 3.45Å; D47-R151 VanDerWaalsContact O-CD 3.28Å; D47-R151 WeakPolarHBondContact O-CD 3.32Å; D47-R151 PolarHBondContact O-NE 3.31Å; D47-R151 PolarHBondContact O-NH1 3.47Å
48K93.9Very high96Very high109 Ų10926.1 Ų26.147%0.47414%0.136SC..THydrogen-bonded Turntrans-88.7-8.5178.6-54.8-48-179.6-149.40114.4Y46 E141 T144 K145Y46-K48 PolarHBondContact O-N 3.11Å; Y46-K48 VanDerWaalsContact O-N 3.11Å; K48-E141 HydrophobicContact CG-CG 4.14Å; K48-T144 HydrophobicContact CB-CG2 4.46Å; K48-K145 HydrophobicContact CB-CG 4.26Å
49G95.5Very high95.8Very high1 Ų128.8 Ų28.81%0.0116%0.158CC..SBendtrans-138.4-173.1-178.800000112.1Y46 R151Y46-G49 PolarHBondContact O-N 3.1Å; G49-R151 WeakPolarHBondContact O-CG 3.45Å; G49-R151 PolarHBondContact O-NH1 3.15Å
50A97.2Very high95.8Very high0 Ų032.9 Ų32.90%018%0.177CC..BIsolated β-bridgetrans-138156.3172.500000109.6L38 I39 V40 E149 R151L38-A50 HydrophobicContact CD1-CB 3.94Å; L38-A50 HydrophobicContact CD2-CB 3.54Å; L38-A50 HydrophobicContact CG-CB 3.61Å; I39-A50 CarbonylContact O-C 3.52Å; I39-A50 VanDerWaalsContact O-CA 3.28Å; I39-A50 WeakPolarHBondContact O-CA 3.27Å; I39-A50 WeakPolarHBondContact O-CB 3.46Å; V40-A50 HydrophobicContact CG2-CB 4.21Å; A50-E149 PolarHBondContact N-O 3.31Å; A50-E149 PolarHBondContact O-N 2.77Å; A50-R151 HydrophobicContact CB-CG 4.3Å
51F98.3Very high95.8Very high0 Ų032.5 Ų32.50%017%0.174CC..EExtended strand (participates in β ladder)trans-128.3115.8-169.7-58.6-86.6000110.9I39 P41 Y46 I53 F70 T72 I74 T144I39-F51 HydrophobicContact CB-CB 4.49Å; I39-F51 PolarHBondContact N-O 2.91Å; I39-F51 PolarHBondContact O-N 3.42Å; P41-F51 HydrophobicContact CG-CD2 3.84Å; P41-F51 HydrophobicContact CG-CE2 3.87Å; Y46-F51 HydrophobicContact CD1-CE2 4.45Å; Y46-F51 HydrophobicContact CD1-CZ 4.07Å; Y46-F51 HydrophobicContact CG-CE2 4.48Å; F51-I53 PolarHBondContact O-N 2.95Å; F51-F70 HydrophobicContact CB-CD1 4Å; F51-F70 HydrophobicContact CB-CE1 3.91Å; F51-T72 HydrophobicContact CD1-CG2 3.98Å; F51-I74 HydrophobicContact CD1-CB 3.79Å; F51-I74 HydrophobicContact CD1-CD1 3.82Å; F51-I74 HydrophobicContact CD1-CG1 3.88Å; F51-I74 HydrophobicContact CD2-CD1 4.24Å; F51-I74 HydrophobicContact CE1-CB 3.71Å; F51-I74 HydrophobicContact CE1-CD1 3.72Å; F51-I74 HydrophobicContact CE1-CG1 3.46Å; F51-I74 VanDerWaalsContact CE1-CG1 3.46Å; F51-I74 HydrophobicContact CE2-CD1 4.18Å; F51-I74 HydrophobicContact CG-CD1 4.07Å; F51-I74 HydrophobicContact CZ-CD1 3.9Å; F51-I74 HydrophobicContact CZ-CG1 3.91Å; F51-T144 HydrophobicContact CE2-CG2 4.37Å; F51-T144 HydrophobicContact CZ-CG2 3.78Å
52R98.1Very high95.9Very high41 Ų4133.4 Ų33.416%0.15518%0.18CC..EExtended strand (participates in β ladder)trans-74.6128.4176.3-173.7172.8-58.9-84.2-11.5109.6G37 L38 K71 T72 E149G37-R52 WeakPolarHBondContact O-CA 3.25Å; L38-R52 HydrophobicContact CD1-CB 4.08Å; R52-K71 HydrophobicContact CB-CB 4.27Å; R52-K71 HydrophobicContact CG-CB 4.17Å; R52-K71 PolarHBondContact O-N 2.96Å; R52-T72 WeakPolarHBondContact CB-OG1 3.22Å; R52-T72 PolarHBondContact N-OG1 2.74Å; R52-T72 PolarHBondContact O-N 2.99Å; R52-E149 VanDerWaalsContact CB-OE1 3.28Å; R52-E149 WeakPolarHBondContact CB-OE1 3.39Å; R52-E149 IonicContact CZ-OE1 3.59Å; R52-E149 IonicContact CZ-OE2 3.86Å; R52-E149 IonicContact NE-OE1 3.81Å; R52-E149 PolarHBondContact NE-OE1 3.09Å; R52-E149 IonicContact NE-OE2 3.73Å; R52-E149 IonicContact NH2-OE1 2.77Å; R52-E149 IonicContact NH2-OE2 2.97Å; R52-E149 PolarHBondContact NH2-OE2 2.87Å
53I98.2Very high96.2Very high0 Ų037.1 Ų37.10%019%0.193CC..EExtended strand (participates in β ladder)trans-117.3155.7172.264.2160.5000109.8F22 Q36 G37 I39 F51 I55 I68 T69 F70 L108F22-I53 HydrophobicContact CE2-CD1 3.74Å; F22-I53 HydrophobicContact CE2-CG1 3.82Å; F22-I53 HydrophobicContact CZ-CD1 4.34Å; Q36-I53 WeakPolarHBondContact CA-O 3.22Å; G37-I53 PolarHBondContact N-O 2.82Å; G37-I53 VanDerWaalsContact N-O 3.1Å; G37-I53 PolarHBondContact O-N 2.91Å; I39-I53 HydrophobicContact CD1-CD1 4.06Å; I39-I53 HydrophobicContact CD1-CG1 4.4Å; I39-I53 HydrophobicContact CD1-CG2 3.66Å; I39-I53 HydrophobicContact CG1-CD1 4.21Å; I39-I53 HydrophobicContact CG1-CG1 4.31Å; I39-I53 HydrophobicContact CG1-CG2 4.16Å; F51-I53 PolarHBondContact O-N 2.95Å; I53-I55 HydrophobicContact CD1-CD1 4.08Å; I53-I55 HydrophobicContact CD1-CG1 3.99Å; I53-I68 HydrophobicContact CB-CG2 4.21Å; I53-I68 HydrophobicContact CD1-CG2 4.13Å; I53-T69 CarbonylContact C-O 3.59Å; I53-T69 WeakPolarHBondContact CA-O 3.35Å; I53-F70 HydrophobicContact CG2-CD1 3.76Å; I53-F70 HydrophobicContact CG2-CD2 4.14Å; I53-F70 HydrophobicContact CG2-CE1 3.71Å; I53-F70 HydrophobicContact CG2-CE2 4.08Å; I53-F70 HydrophobicContact CG2-CG 3.96Å; I53-F70 HydrophobicContact CG2-CZ 3.87Å; I53-L108 HydrophobicContact CD1-CD2 3.89Å; I53-L108 HydrophobicContact CG2-CD2 4.4Å
54E97.9Very high96.5Very high27 Ų2738.8 Ų38.813%0.12620%0.196CC..EExtended strand (participates in β ladder)trans-119133.3167.8-176.7173.878.600108.8T34 W35 Q36 I56 I68 T69 K71T34-E54 HydrophobicContact CG2-CG 3.92Å; W35-E54 CarbonylContact O-C 3.58Å; W35-E54 VanDerWaalsContact O-CA 3.3Å; W35-E54 WeakPolarHBondContact O-CA 3.34Å; Q36-E54 HydrophobicContact CG-CB 4.24Å; Q36-E54 HydrophobicContact CG-CG 4.16Å; Q36-E54 PolarHBondContact NE2-OE2 2.78Å; E54-I56 HydrophobicContact CG-CG1 4.01Å; E54-I68 CarbonylContact O-C 3.11Å; E54-I68 WeakPolarHBondContact O-CA 3.42Å; E54-T69 PolarHBondContact N-O 3.43Å; E54-T69 PolarHBondContact O-N 2.83Å; E54-K71 HydrophobicContact CB-CD 4.42Å; E54-K71 HydrophobicContact CB-CG 4.21Å; E54-K71 VanDerWaalsContact CD-NZ 3.3Å; E54-K71 WeakPolarHBondContact OE1-CE 3.09Å; E54-K71 IonicContact OE1-NZ 3.58Å; E54-K71 PolarHBondContact OE1-NZ 3.5Å; E54-K71 VanDerWaalsContact OE2-CE 3.26Å; E54-K71 WeakPolarHBondContact OE2-CE 3.37Å; E54-K71 IonicContact OE2-NZ 2.63Å; E54-K71 PolarHBondContact OE2-NZ 2.79Å
55I98Very high96.6Very high1 Ų137 Ų371%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-113.7117.8176.1-48.2178.2000106.9F22 T34 W35 I53 F57 P66 K67 I68 T101 I105F22-I55 HydrophobicContact CZ-CD1 4.49Å; T34-I55 WeakPolarHBondContact CA-O 3.37Å; W35-I55 HydrophobicContact CB-CB 4.33Å; W35-I55 PolarHBondContact N-O 3.5Å; W35-I55 PolarHBondContact O-N 2.97Å; I53-I55 HydrophobicContact CD1-CD1 4.08Å; I53-I55 HydrophobicContact CD1-CG1 3.99Å; I55-F57 HydrophobicContact CB-CE2 4.16Å; I55-F57 HydrophobicContact CB-CZ 4.4Å; I55-F57 HydrophobicContact CG2-CD2 4.34Å; I55-F57 HydrophobicContact CG2-CE1 4.12Å; I55-F57 HydrophobicContact CG2-CE2 3.67Å; I55-F57 HydrophobicContact CG2-CZ 3.56Å; I55-P66 HydrophobicContact CG2-CB 3.86Å; I55-K67 CarbonylContact C-O 3.55Å; I55-K67 WeakPolarHBondContact CA-O 3.41Å; I55-I68 HydrophobicContact CG1-CG1 4.33Å; I55-I68 HydrophobicContact CG2-CG1 4.33Å; I55-T101 HydrophobicContact CD1-CG2 4.36Å; I55-I105 HydrophobicContact CD1-CD1 4.08Å; I55-I105 HydrophobicContact CD1-CG1 3.95Å
56I97.6Very high96.7Very high71 Ų7137 Ų3736%0.36419%0.185SC..EExtended strand (participates in β ladder)trans-109116.6179.1-56.1176.6000108.3E54 P66 K67E54-I56 HydrophobicContact CG-CG1 4.01Å; I56-P66 CarbonylContact O-C 3.52Å; I56-P66 WeakPolarHBondContact O-CA 3.34Å; I56-K67 PolarHBondContact N-O 2.87Å; I56-K67 PolarHBondContact O-N 2.96Å
57F97.7Very high96.7Very high4 Ų444.4 Ų44.42%0.01822%0.217CC..  trans-90.5128.9176.1-59.9-88.1000109.8L7 L33 W35 I55 Y61 P66 T101L7-F57 HydrophobicContact CD1-CB 3.99Å; L7-F57 HydrophobicContact CD1-CD1 4.37Å; L7-F57 HydrophobicContact CD1-CD2 4.19Å; L7-F57 HydrophobicContact CD1-CG 3.92Å; L7-F57 HydrophobicContact CD2-CD1 3.5Å; L7-F57 HydrophobicContact CD2-CD2 4.03Å; L7-F57 HydrophobicContact CD2-CE1 3.46Å; L7-F57 VanDerWaalsContact CD2-CE1 3.46Å; L7-F57 HydrophobicContact CD2-CE2 4.02Å; L7-F57 HydrophobicContact CD2-CG 3.79Å; L7-F57 HydrophobicContact CD2-CZ 3.73Å; L33-F57 HydrophobicContact CB-CB 4.33Å; L33-F57 HydrophobicContact CD2-CB 4.14Å; L33-F57 WeakPolarHBondContact O-CD2 3.12Å; L33-F57 PolarHBondContact O-N 3.44Å; W35-F57 HydrophobicContact CB-CE2 4.36Å; W35-F57 AromaticContact CD1-CE2 3.76Å; W35-F57 AromaticContact CD2-CE2 3.61Å; W35-F57 HydrophobicContact CD2-CE2 3.61Å; W35-F57 HydrophobicContact CD2-CZ 4.06Å; W35-F57 AromaticContact CE2-CE2 3.65Å; W35-F57 HydrophobicContact CE3-CE2 4.2Å; W35-F57 HydrophobicContact CE3-CZ 4.22Å; W35-F57 AromaticContact CG-CE2 3.68Å; W35-F57 HydrophobicContact CG-CE2 3.68Å; W35-F57 HydrophobicContact CH2-CZ 4.5Å; W35-F57 HydrophobicContact CZ2-CE2 4.27Å; W35-F57 HydrophobicContact CZ2-CZ 4.34Å; W35-F57 HydrophobicContact CZ3-CZ 4.44Å; W35-F57 AromaticContact NE1-CE2 3.71Å; I55-F57 HydrophobicContact CB-CE2 4.16Å; I55-F57 HydrophobicContact CB-CZ 4.4Å; I55-F57 HydrophobicContact CG2-CD2 4.34Å; I55-F57 HydrophobicContact CG2-CE1 4.12Å; I55-F57 HydrophobicContact CG2-CE2 3.67Å; I55-F57 HydrophobicContact CG2-CZ 3.56Å; F57-Y61 HydrophobicContact CB-CG 4.49Å; F57-Y61 HydrophobicContact CD1-CD1 4.4Å; F57-Y61 AromaticContact CD1-CD2 3.76Å; F57-Y61 HydrophobicContact CD1-CD2 3.76Å; F57-Y61 AromaticContact CD1-CE2 3.87Å; F57-Y61 HydrophobicContact CD1-CE2 3.87Å; F57-Y61 HydrophobicContact CD1-CG 4.04Å; F57-Y61 HydrophobicContact CE1-CD2 4.49Å; F57-Y61 HydrophobicContact CE1-CE2 4.14Å; F57-P66 HydrophobicContact CD1-CB 3.7Å; F57-P66 HydrophobicContact CD1-CG 4.4Å; F57-P66 HydrophobicContact CE1-CB 3.85Å; F57-P66 HydrophobicContact CE1-CG 4.23Å; F57-P66 HydrophobicContact CG-CB 4.38Å; F57-T101 HydrophobicContact CE1-CG2 4.25Å; F57-T101 HydrophobicContact CZ-CG2 3.77Å
58P96.3Very high96.8Very high30 Ų3043.5 Ų43.520%0.19521%0.212CC..  trans-66.8156.6171.528.9-34.2000110.7E60 Y61 K64 P65P58-E60 PolarHBondContact O-N 3.49Å; P58-E60 VanDerWaalsContact O-N 3.16Å; P58-Y61 WeakPolarHBondContact O-CB 3.47Å; P58-Y61 PolarHBondContact O-N 2.84Å; P58-K64 HydrophobicContact CB-CB 4.21Å; P58-K64 HydrophobicContact CG-CB 3.57Å; P58-P65 VanDerWaalsContact CD-O 3.3Å; P58-P65 WeakPolarHBondContact CD-O 3.36Å; P58-P65 WeakPolarHBondContact CG-O 3.22Å
59A93.5Very high97Very high57 Ų5740.1 Ų40.147%0.47120%0.201SC..THydrogen-bonded Turntrans-60.7-27.3177.500000112.3Y61A59-Y61 VanDerWaalsContact C-N 3.27Å; A59-Y61 PolarHBondContact O-N 3.49Å
60E95.3Very high97.1Very high87 Ų8740.4 Ų40.441%0.40720%0.202SC..THydrogen-bonded Turntrans-83.24.3177-51.195.4133.100113.4P58 F63 K64P58-E60 PolarHBondContact O-N 3.49Å; P58-E60 VanDerWaalsContact O-N 3.16Å; E60-F63 WeakPolarHBondContact O-CA 3.45Å; E60-F63 WeakPolarHBondContact O-CB 3.41Å; E60-F63 WeakPolarHBondContact O-CD2 3.26Å; E60-F63 PolarHBondContact O-N 2.7Å; E60-K64 HydrophobicContact CB-CB 4.46Å; E60-K64 HydrophobicContact CB-CD 4.12Å; E60-K64 HydrophobicContact CB-CG 4.18Å; E60-K64 HydrophobicContact CG-CD 4.37Å; E60-K64 PolarHBondContact O-N 2.97Å; E60-K64 IonicContact OE1-NZ 2.78Å; E60-K64 PolarHBondContact OE1-NZ 3.35Å
61Y96.3Very high97.2Very high4 Ų445.4 Ų45.42%0.01622%0.223CC..THydrogen-bonded Turntrans-55.6133.2172.8-177.1-92.8000110.3A3 R6 L7 E10 F57 P58 A59 W95A3-Y61 WeakPolarHBondContact CA-O 3.41Å; A3-Y61 WeakPolarHBondContact CB-O 3.31Å; R6-Y61 HydrophobicContact CG-CE1 4.17Å; R6-Y61 PolarHBondContact NH2-OH 2.81Å; L7-Y61 HydrophobicContact CD1-CD1 4.3Å; L7-Y61 HydrophobicContact CD2-CD1 3.9Å; L7-Y61 HydrophobicContact CD2-CE1 3.62Å; L7-Y61 HydrophobicContact CG-CD1 3.98Å; L7-Y61 HydrophobicContact CG-CE1 4.04Å; E10-Y61 PolarHBondContact OE1-OH 3.44Å; E10-Y61 VanDerWaalsContact OE1-OH 3.11Å; E10-Y61 PolarHBondContact OE2-OH 2.97Å; F57-Y61 HydrophobicContact CB-CG 4.49Å; F57-Y61 HydrophobicContact CD1-CD1 4.4Å; F57-Y61 AromaticContact CD1-CD2 3.76Å; F57-Y61 HydrophobicContact CD1-CD2 3.76Å; F57-Y61 AromaticContact CD1-CE2 3.87Å; F57-Y61 HydrophobicContact CD1-CE2 3.87Å; F57-Y61 HydrophobicContact CD1-CG 4.04Å; F57-Y61 HydrophobicContact CE1-CD2 4.49Å; F57-Y61 HydrophobicContact CE1-CE2 4.14Å; P58-Y61 WeakPolarHBondContact O-CB 3.47Å; P58-Y61 PolarHBondContact O-N 2.84Å; A59-Y61 VanDerWaalsContact C-N 3.27Å; A59-Y61 PolarHBondContact O-N 3.49Å; Y61-W95 HydrophobicContact CD2-CZ2 4.22Å; Y61-W95 AromaticContact CE2-CH2 3.87Å; Y61-W95 HydrophobicContact CE2-CH2 3.87Å; Y61-W95 AromaticContact CE2-CZ2 3.66Å; Y61-W95 HydrophobicContact CE2-CZ2 3.66Å
62P96.1Very high97.2Very high18 Ų1846 Ų4612%0.11723%0.227CC..THydrogen-bonded Turncis-94.91111.939.4-39.2000115.2R6 K64 W95 P97R6-P62 VanDerWaalsContact NH1-CG 3.26Å; P62-K64 VanDerWaalsContact C-N 3.34Å; P62-W95 PolarHBondContact O-NE1 3.29Å; P62-P97 HydrophobicContact CB-CB 4.21Å; P62-P97 HydrophobicContact CG-CB 4.25Å; P62-P97 VanDerWaalsContact O-CA 3.28Å; P62-P97 WeakPolarHBondContact O-CA 3.35Å; P62-P97 WeakPolarHBondContact O-CB 3.22Å
63F96.1Very high97.1Very high162 Ų16250.5 Ų50.571%0.71125%0.247SC*.SBendtrans-74.7-25.1-179.6-57.5-71.4000113.1E60 P97E60-F63 WeakPolarHBondContact O-CA 3.45Å; E60-F63 WeakPolarHBondContact O-CB 3.41Å; E60-F63 WeakPolarHBondContact O-CD2 3.26Å; E60-F63 PolarHBondContact O-N 2.7Å; F63-P97 HydrophobicContact CD1-CG 4.34Å
64K96.4Very high97.1Very high104 Ų10450.9 Ų50.945%0.45225%0.25SC..SBendtrans-113145.3168.9-69.6-177.5-177.8169.40110.5P58 E60 P62P58-K64 HydrophobicContact CB-CB 4.21Å; P58-K64 HydrophobicContact CG-CB 3.57Å; E60-K64 HydrophobicContact CB-CB 4.46Å; E60-K64 HydrophobicContact CB-CD 4.12Å; E60-K64 HydrophobicContact CB-CG 4.18Å; E60-K64 HydrophobicContact CG-CD 4.37Å; E60-K64 PolarHBondContact O-N 2.97Å; E60-K64 IonicContact OE1-NZ 2.78Å; E60-K64 PolarHBondContact OE1-NZ 3.35Å; P62-K64 VanDerWaalsContact C-N 3.34Å
65P97.5Very high97.1Very high30 Ų3051.3 Ų51.320%0.19525%0.25CS..  trans-68.7154.4179.526.6-33.1000112.2P58 I90 W95P58-P65 VanDerWaalsContact CD-O 3.3Å; P58-P65 WeakPolarHBondContact CD-O 3.36Å; P58-P65 WeakPolarHBondContact CG-O 3.22Å; P65-I90 HydrophobicContact CB-CB 4.04Å; P65-I90 VanDerWaalsContact CB-O 3.29Å; P65-I90 WeakPolarHBondContact CB-O 3.4Å; P65-I90 WeakPolarHBondContact CG-O 3.3Å; P65-W95 HydrophobicContact CB-CB 4.01Å; P65-W95 HydrophobicContact CB-CD2 3.52Å; P65-W95 HydrophobicContact CB-CE3 3.71Å; P65-W95 HydrophobicContact CB-CG 3.64Å; P65-W95 HydrophobicContact CB-CZ3 4.42Å; P65-W95 HydrophobicContact CG-CB 4.15Å; P65-W95 HydrophobicContact CG-CD2 4.46Å; P65-W95 HydrophobicContact CG-CG 4.08Å
66P97.6Very high97.2Very high3 Ų351.2 Ų51.22%0.01925%0.25CC..  trans-69.8160166.831.6-33.4000111.3I55 I56 F57 I90I55-P66 HydrophobicContact CG2-CB 3.86Å; I56-P66 CarbonylContact O-C 3.52Å; I56-P66 WeakPolarHBondContact O-CA 3.34Å; F57-P66 HydrophobicContact CD1-CB 3.7Å; F57-P66 HydrophobicContact CD1-CG 4.4Å; F57-P66 HydrophobicContact CE1-CB 3.85Å; F57-P66 HydrophobicContact CE1-CG 4.23Å; F57-P66 HydrophobicContact CG-CB 4.38Å; P66-I90 HydrophobicContact CG-CG2 3.99Å
67K97.2Very high97.2Very high156 Ų15647.9 Ų47.968%0.67823%0.233SC*.EExtended strand (participates in β ladder)trans-107.3141168.7-67.1-177.4178.5-179.10109.6I55 I56I55-K67 CarbonylContact C-O 3.55Å; I55-K67 WeakPolarHBondContact CA-O 3.41Å; I56-K67 PolarHBondContact N-O 2.87Å; I56-K67 PolarHBondContact O-N 2.96Å
68I98.1Very high97.2Very high9 Ų947.9 Ų47.95%0.04623%0.233CC..EExtended strand (participates in β ladder)trans-117.6139.9176.8-52.4175.1000109.4I53 E54 I55 V85 L87 I90 V104 L108I53-I68 HydrophobicContact CB-CG2 4.21Å; I53-I68 HydrophobicContact CD1-CG2 4.13Å; E54-I68 CarbonylContact O-C 3.11Å; E54-I68 WeakPolarHBondContact O-CA 3.42Å; I55-I68 HydrophobicContact CG1-CG1 4.33Å; I55-I68 HydrophobicContact CG2-CG1 4.33Å; I68-V85 HydrophobicContact CB-CG1 4.21Å; I68-V85 HydrophobicContact CG2-CG1 4.49Å; I68-L87 HydrophobicContact CD1-CD1 3.89Å; I68-I90 HydrophobicContact CD1-CD1 4.11Å; I68-I90 HydrophobicContact CG1-CD1 4.09Å; I68-V104 HydrophobicContact CD1-CG1 3.54Å; I68-L108 HydrophobicContact CD1-CD2 4.01Å; I68-L108 HydrophobicContact CG2-CD2 3.78Å
69T98.1Very high97.3Very high37 Ų3746.4 Ų46.423%0.22722%0.224CC..EExtended strand (participates in β ladder)trans-141131.6174.9-570000110.2I53 E54 G83I53-T69 CarbonylContact C-O 3.59Å; I53-T69 WeakPolarHBondContact CA-O 3.35Å; E54-T69 PolarHBondContact N-O 3.43Å; E54-T69 PolarHBondContact O-N 2.83Å; T69-G83 CarbonylContact C-O 3.59Å; T69-G83 WeakPolarHBondContact CA-O 3.39Å
70F98.4Very high97.4Very high8 Ų845.4 Ų45.44%0.03521%0.21CC..EExtended strand (participates in β ladder)trans-72.9125171.1-76.8-105.2000109.7I39 F51 I53 I74 I79 G83 V85 L108 V112I39-F70 HydrophobicContact CD1-CE1 4.23Å; I39-F70 HydrophobicContact CD1-CZ 4.03Å; F51-F70 HydrophobicContact CB-CD1 4Å; F51-F70 HydrophobicContact CB-CE1 3.91Å; I53-F70 HydrophobicContact CG2-CD1 3.76Å; I53-F70 HydrophobicContact CG2-CD2 4.14Å; I53-F70 HydrophobicContact CG2-CE1 3.71Å; I53-F70 HydrophobicContact CG2-CE2 4.08Å; I53-F70 HydrophobicContact CG2-CG 3.96Å; I53-F70 HydrophobicContact CG2-CZ 3.87Å; F70-I74 HydrophobicContact CD1-CG2 4.22Å; F70-I74 HydrophobicContact CE1-CD1 4.38Å; F70-I79 HydrophobicContact CB-CG2 4.45Å; F70-I79 HydrophobicContact CD1-CD1 4.37Å; F70-I79 HydrophobicContact CD2-CD1 3.95Å; F70-I79 HydrophobicContact CD2-CG1 4.39Å; F70-I79 HydrophobicContact CD2-CG2 3.91Å; F70-I79 HydrophobicContact CE1-CD1 3.93Å; F70-I79 HydrophobicContact CE2-CD1 3.48Å; F70-I79 VanDerWaalsContact CE2-CD1 3.48Å; F70-I79 HydrophobicContact CE2-CG1 4.11Å; F70-I79 HydrophobicContact CE2-CG2 4.46Å; F70-I79 HydrophobicContact CG-CD1 4.39Å; F70-I79 HydrophobicContact CG-CG2 4.21Å; F70-I79 HydrophobicContact CZ-CD1 3.47Å; F70-I79 VanDerWaalsContact CZ-CD1 3.47Å; F70-G83 PolarHBondContact N-O 3.44Å; F70-V85 HydrophobicContact CE2-CB 4.47Å; F70-V85 HydrophobicContact CE2-CG1 4.43Å; F70-L108 HydrophobicContact CE2-CD1 3.77Å; F70-L108 HydrophobicContact CE2-CD2 4.22Å; F70-L108 HydrophobicContact CE2-CG 4.46Å; F70-L108 HydrophobicContact CZ-CD1 3.88Å; F70-L108 HydrophobicContact CZ-CD2 4.24Å; F70-L108 HydrophobicContact CZ-CG 4.29Å; F70-V112 HydrophobicContact CE1-CG2 4.38Å; F70-V112 HydrophobicContact CZ-CG2 3.86Å
71K98.1Very high97.4Very high105 Ų10549 Ų4946%0.45723%0.227SC..SBendtrans-88.2-31.6171.2-60.4-61.8-178.3177.60111.1R52 E54R52-K71 HydrophobicContact CB-CB 4.27Å; R52-K71 HydrophobicContact CG-CB 4.17Å; R52-K71 PolarHBondContact O-N 2.96Å; E54-K71 HydrophobicContact CB-CD 4.42Å; E54-K71 HydrophobicContact CB-CG 4.21Å; E54-K71 VanDerWaalsContact CD-NZ 3.3Å; E54-K71 WeakPolarHBondContact OE1-CE 3.09Å; E54-K71 IonicContact OE1-NZ 3.58Å; E54-K71 PolarHBondContact OE1-NZ 3.5Å; E54-K71 VanDerWaalsContact OE2-CE 3.26Å; E54-K71 WeakPolarHBondContact OE2-CE 3.37Å; E54-K71 IonicContact OE2-NZ 2.63Å; E54-K71 PolarHBondContact OE2-NZ 2.79Å
72T97.9Very high97.4Very high11 Ų1156.7 Ų56.77%0.06726%0.261CS..SBendtrans-85130.7171.8-50.40000109.7F51 R52 H147 E149F51-T72 HydrophobicContact CD1-CG2 3.98Å; R52-T72 WeakPolarHBondContact CB-OG1 3.22Å; R52-T72 PolarHBondContact N-OG1 2.74Å; R52-T72 PolarHBondContact O-N 2.99Å; T72-H147 WeakPolarHBondContact CG2-O 3.44Å; T72-E149 HydrophobicContact CG2-CG 4.38Å
73K97.6Very high97.4Very high136 Ų13656.1 Ų56.159%0.59126%0.258SS*.  trans-61.9139.1174.6-63.2-174.4177.4-172.50109.9F143 H147K73-F143 HydrophobicContact CB-CE1 3.74Å; K73-F143 HydrophobicContact CB-CZ 3.95Å; K73-H147 HydrophobicContact CB-CB 4.26Å
74I98.2Very high97.4Very high9 Ų953.7 Ų53.75%0.04625%0.249CC..  trans-136.2144.6178.3-169.5171.9000110.4Y46 F51 F70 H76 I79 V112Y46-I74 HydrophobicContact CD1-CD1 4.18Å; Y46-I74 HydrophobicContact CD1-CG1 4.21Å; Y46-I74 HydrophobicContact CE1-CD1 4.19Å; Y46-I74 HydrophobicContact CE1-CG1 4.01Å; F51-I74 HydrophobicContact CD1-CB 3.79Å; F51-I74 HydrophobicContact CD1-CD1 3.82Å; F51-I74 HydrophobicContact CD1-CG1 3.88Å; F51-I74 HydrophobicContact CD2-CD1 4.24Å; F51-I74 HydrophobicContact CE1-CB 3.71Å; F51-I74 HydrophobicContact CE1-CD1 3.72Å; F51-I74 HydrophobicContact CE1-CG1 3.46Å; F51-I74 VanDerWaalsContact CE1-CG1 3.46Å; F51-I74 HydrophobicContact CE2-CD1 4.18Å; F51-I74 HydrophobicContact CG-CD1 4.07Å; F51-I74 HydrophobicContact CZ-CD1 3.9Å; F51-I74 HydrophobicContact CZ-CG1 3.91Å; F70-I74 HydrophobicContact CD1-CG2 4.22Å; F70-I74 HydrophobicContact CE1-CD1 4.38Å; I74-H76 HydrophobicContact CD1-CB 4.21Å; I74-H76 HydrophobicContact CG1-CB 4.06Å; I74-H76 HydrophobicContact CG2-CB 4.2Å; I74-H76 PolarHBondContact O-N 2.9Å; I74-I79 HydrophobicContact CD1-CD1 4.11Å; I74-I79 HydrophobicContact CG2-CB 3.89Å; I74-I79 HydrophobicContact CG2-CD1 3.61Å; I74-I79 HydrophobicContact CG2-CG1 4.35Å; I74-I79 HydrophobicContact CG2-CG2 3.68Å; I74-V112 HydrophobicContact CD1-CG1 4.31Å
75Y98.2Very high97.4Very high35 Ų3549.5 Ų49.514%0.13723%0.232CC..  trans-94.982.6175.8-166.5-89.7000109.3Y46 L125 E128 F136 N139 A140 F143Y46-Y75 WeakPolarHBondContact CE1-O 3.14Å; Y46-Y75 PolarHBondContact OH-O 3.49Å; Y75-L125 HydrophobicContact CD1-CD1 3.99Å; Y75-L125 HydrophobicContact CD1-CD2 4.34Å; Y75-L125 HydrophobicContact CD2-CD1 4.23Å; Y75-L125 HydrophobicContact CD2-CD2 4.39Å; Y75-L125 HydrophobicContact CE1-CD1 4.05Å; Y75-L125 HydrophobicContact CE1-CD2 3.58Å; Y75-L125 HydrophobicContact CE1-CG 4.38Å; Y75-L125 HydrophobicContact CE2-CD1 4.27Å; Y75-L125 HydrophobicContact CE2-CD2 3.62Å; Y75-L125 HydrophobicContact CG-CD1 4.1Å; Y75-L125 WeakPolarHBondContact OH-CD2 3.33Å; Y75-E128 PolarHBondContact OH-OE2 3.35Å; Y75-F136 HydrophobicContact CD1-CD2 4.31Å; Y75-F136 AromaticContact CD1-CE2 3.84Å; Y75-F136 HydrophobicContact CD1-CE2 3.84Å; Y75-F136 HydrophobicContact CD1-CZ 4.19Å; Y75-F136 AromaticContact CE1-CD2 3.81Å; Y75-F136 HydrophobicContact CE1-CD2 3.81Å; Y75-F136 AromaticContact CE1-CE2 3.74Å; Y75-F136 HydrophobicContact CE1-CE2 3.74Å; Y75-F136 HydrophobicContact CE1-CZ 4.49Å; Y75-N139 HydrophobicContact CE1-CB 3.94Å; Y75-A140 HydrophobicContact CD1-CB 3.82Å; Y75-A140 HydrophobicContact CG-CB 4.46Å; Y75-F143 HydrophobicContact CD2-CB 4.48Å; Y75-F143 HydrophobicContact CD2-CD2 4.09Å; Y75-F143 HydrophobicContact CD2-CG 4.26Å; Y75-F143 HydrophobicContact CG-CB 4.39Å; Y75-F143 HydrophobicContact CG-CG 4.42Å
76H98.3Very high97.1Very high0 Ų052.2 Ų52.20%025%0.25CS..  trans-139.5136.2-171.3-165.5-79.1000111Y46 I74 N78 I79 L111 V112 P115Y46-H76 AromaticContact CE2-CD2 3.65Å; Y46-H76 AromaticContact CZ-CD2 3.49Å; Y46-H76 VanDerWaalsContact CZ-CD2 3.49Å; Y46-H76 PolarHBondContact OH-CD2 3.38Å; I74-H76 HydrophobicContact CD1-CB 4.21Å; I74-H76 HydrophobicContact CG1-CB 4.06Å; I74-H76 HydrophobicContact CG2-CB 4.2Å; I74-H76 PolarHBondContact O-N 2.9Å; H76-N78 VanDerWaalsContact C-N 3.31Å; H76-N78 PolarHBondContact CE1-OD1 2.89Å; H76-N78 PolarHBondContact ND1-N 3.18Å; H76-N78 PolarHBondContact O-N 2.93Å; 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 3.49Å; H76-L111 PolarHBondContact CE1-O 3.07Å; H76-L111 VanDerWaalsContact CE1-O 3.3Å; H76-L111 PolarHBondContact NE2-O 2.91Å; H76-V112 PolarHBondContact NE2-O 3.32Å; H76-P115 WeakPolarHBondContact NE2-CG 3.42Å
77P98Very high97Very high0 Ų052.4 Ų52.40%025%0.251CS..THydrogen-bonded Turntrans-67.2-29.3-176.626.4-35.1000113.5P115 P120 L121 R122 L125 A126P77-P115 HydrophobicContact CG-CB 3.51Å; P77-P115 HydrophobicContact CG-CG 4.5Å; P77-P120 HydrophobicContact CB-CB 4.37Å; P77-L121 PolarHBondContact O-N 3.37Å; P77-R122 PolarHBondContact O-N 2.94Å; P77-L125 HydrophobicContact CB-CB 4.06Å; P77-A126 HydrophobicContact CB-CB 3.97Å
78N98.1Very high96.8Very high4 Ų448.5 Ų48.52%0.02124%0.242CC..THydrogen-bonded Turntrans-91.96.1179.6-49.399.3000114.8H76 L111 Q116 H119 L121H76-N78 VanDerWaalsContact C-N 3.31Å; H76-N78 PolarHBondContact CE1-OD1 2.89Å; H76-N78 PolarHBondContact ND1-N 3.18Å; H76-N78 PolarHBondContact O-N 2.93Å; N78-L111 HydrophobicContact CB-CD1 4.01Å; N78-L111 HydrophobicContact CB-CD2 4.04Å; N78-L111 HydrophobicContact CB-CG 4.19Å; N78-Q116 PolarHBondContact ND2-O 3.13Å; N78-Q116 PolarHBondContact OD1-N 3.46Å; N78-H119 PolarHBondContact ND2-O 3.36Å; N78-L121 WeakPolarHBondContact O-CD1 3.46Å
79I98.3Very high96.7Very high0 Ų049.9 Ų49.90%025%0.251CS..BIsolated β-bridgetrans-127.7126.5179.6-55.4167.2000108.2F70 I74 H76 Q84 V85 V112 R122F70-I79 HydrophobicContact CB-CG2 4.45Å; F70-I79 HydrophobicContact CD1-CD1 4.37Å; F70-I79 HydrophobicContact CD2-CD1 3.95Å; F70-I79 HydrophobicContact CD2-CG1 4.39Å; F70-I79 HydrophobicContact CD2-CG2 3.91Å; F70-I79 HydrophobicContact CE1-CD1 3.93Å; F70-I79 HydrophobicContact CE2-CD1 3.48Å; F70-I79 VanDerWaalsContact CE2-CD1 3.48Å; F70-I79 HydrophobicContact CE2-CG1 4.11Å; F70-I79 HydrophobicContact CE2-CG2 4.46Å; F70-I79 HydrophobicContact CG-CD1 4.39Å; F70-I79 HydrophobicContact CG-CG2 4.21Å; F70-I79 HydrophobicContact CZ-CD1 3.47Å; F70-I79 VanDerWaalsContact CZ-CD1 3.47Å; I74-I79 HydrophobicContact CD1-CD1 4.11Å; I74-I79 HydrophobicContact CG2-CB 3.89Å; I74-I79 HydrophobicContact CG2-CD1 3.61Å; I74-I79 HydrophobicContact CG2-CG1 4.35Å; I74-I79 HydrophobicContact CG2-CG2 3.68Å; 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 3.49Å; I79-Q84 WeakPolarHBondContact CA-O 3.25Å; I79-V85 HydrophobicContact CG1-CB 4.31Å; I79-V85 HydrophobicContact CG1-CG2 4.19Å; I79-V112 HydrophobicContact CD1-CG2 4.33Å; I79-R122 VanDerWaalsContact O-CD 3.31Å; I79-R122 WeakPolarHBondContact O-CD 3.49Å
80D96.8Very high96.5Very high36 Ų3649 Ų4919%0.19324%0.244CC..  trans-78173.4-179.884.8-3.7000112.4K82 G83 Q84 L121D80-K82 PolarHBondContact O-N 2.92Å; D80-K82 VanDerWaalsContact OD1-C 3.25Å; D80-K82 VanDerWaalsContact OD1-CA 3.28Å; D80-K82 WeakPolarHBondContact OD1-CA 3.37Å; D80-K82 WeakPolarHBondContact OD1-CB 3.27Å; D80-K82 PolarHBondContact OD1-N 2.92Å; D80-G83 PolarHBondContact O-N 3.49Å; D80-G83 PolarHBondContact OD1-N 3.3Å; D80-Q84 PolarHBondContact N-O 2.95Å; D80-Q84 WeakPolarHBondContact OD1-CB 3.34Å; D80-Q84 PolarHBondContact OD1-N 3.26Å; D80-L121 HydrophobicContact CB-CB 4.35Å; D80-L121 HydrophobicContact CB-CD1 4.36Å
81E94.6Very high96.4Very high162 Ų16250.4 Ų50.476%0.75726%0.255SS*.THydrogen-bonded Turntrans-67.5-16.7-179.8-60.4-167.4154.200114.2G83E81-G83 VanDerWaalsContact C-N 3.32Å
82K95.6Very high96.1Very high166 Ų16649.7 Ų49.772%0.72227%0.269SS*.THydrogen-bonded Turntrans-89.8-1.2174.6-61.8178.1-178.3174.40111.9D80 Q84D80-K82 PolarHBondContact O-N 2.92Å; D80-K82 VanDerWaalsContact OD1-C 3.25Å; D80-K82 VanDerWaalsContact OD1-CA 3.28Å; D80-K82 WeakPolarHBondContact OD1-CA 3.37Å; D80-K82 WeakPolarHBondContact OD1-CB 3.27Å; D80-K82 PolarHBondContact OD1-N 2.92Å; K82-Q84 HydrophobicContact CB-CG 4.35Å
83G96.8Very high95.9Very high6 Ų658 Ų586%0.06231%0.307CS..  trans81.412.3-178.800000114.5T69 F70 D80 E81T69-G83 CarbonylContact C-O 3.59Å; T69-G83 WeakPolarHBondContact CA-O 3.39Å; F70-G83 PolarHBondContact N-O 3.44Å; D80-G83 PolarHBondContact O-N 3.49Å; D80-G83 PolarHBondContact OD1-N 3.3Å; E81-G83 VanDerWaalsContact C-N 3.32Å
84Q96.8Very high95.7Very high110 Ų11056 Ų5651%0.51430%0.303SS..BIsolated β-bridgetrans-72.8143.9174.4-55.2-169.1-24.100110.3I79 D80 K82 L121I79-Q84 WeakPolarHBondContact CA-O 3.25Å; D80-Q84 PolarHBondContact N-O 2.95Å; D80-Q84 WeakPolarHBondContact OD1-CB 3.34Å; D80-Q84 PolarHBondContact OD1-N 3.26Å; K82-Q84 HydrophobicContact CB-CG 4.35Å; Q84-L121 WeakPolarHBondContact O-CD1 3.46Å
85V96Very high95.7Very high17 Ų1756.7 Ų56.710%0.10331%0.305CS..BIsolated β-bridgetrans-134.3136.2179.6620000109.6I68 F70 I79 L87 L108 L111I68-V85 HydrophobicContact CB-CG1 4.21Å; I68-V85 HydrophobicContact CG2-CG1 4.49Å; F70-V85 HydrophobicContact CE2-CB 4.47Å; F70-V85 HydrophobicContact CE2-CG1 4.43Å; I79-V85 HydrophobicContact CG1-CB 4.31Å; I79-V85 HydrophobicContact CG1-CG2 4.19Å; V85-L87 HydrophobicContact CG1-CD1 4.23Å; V85-L87 HydrophobicContact CG2-CG 4.1Å; V85-L108 HydrophobicContact CG1-CD1 4.29Å; V85-L108 HydrophobicContact CG2-CD1 4.08Å; V85-L111 HydrophobicContact CG2-CD2 3.66Å
86C91.8Very high95.6Very high86 Ų8661.9 Ų61.958%0.58133%0.328SS*.  trans-93.6103.3170.9-75.30000109
87L94.2Very high95.5Very high7 Ų764.4 Ų64.44%0.03735%0.345CS..  trans-108.4118.7175.6-88.8167.1000109.9I68 V85 V89 I90 S91 L108 L111I68-L87 HydrophobicContact CD1-CD1 3.89Å; V85-L87 HydrophobicContact CG1-CD1 4.23Å; V85-L87 HydrophobicContact CG2-CG 4.1Å; L87-V89 HydrophobicContact CB-CG1 4.39Å; L87-V89 PolarHBondContact O-N 3.43Å; L87-V89 VanDerWaalsContact O-N 3.16Å; L87-I90 HydrophobicContact CB-CD1 3.96Å; L87-I90 HydrophobicContact CB-CG1 3.59Å; L87-I90 HydrophobicContact CD1-CD1 4.28Å; L87-I90 WeakPolarHBondContact O-CG1 3.48Å; L87-I90 PolarHBondContact O-N 2.86Å; L87-I90 VanDerWaalsContact O-N 3.09Å; L87-S91 PolarHBondContact O-N 3.48Å; L87-L108 HydrophobicContact CD1-CB 3.79Å; L87-L108 HydrophobicContact CD1-CD1 3.78Å; L87-L108 HydrophobicContact CD1-CG 4.22Å; L87-L108 HydrophobicContact CG-CD1 4.43Å; L87-L111 HydrophobicContact CD2-CB 4.4Å; L87-L111 HydrophobicContact CD2-CD2 3.9Å; L87-L111 HydrophobicContact CG-CD2 4.32Å
88P93.3Very high95.4Very high75 Ų7568.4 Ų68.449%0.48738%0.377SS..G310 helixtrans-55.1-35.6-179.6-28.735.5000113.5I90 S91 N94P88-I90 PolarHBondContact O-N 3.26Å; P88-S91 PolarHBondContact O-N 3.08Å; P88-S91 PolarHBondContact O-OG 3.23Å; P88-N94 VanDerWaalsContact O-CB 3.29Å; P88-N94 WeakPolarHBondContact O-CB 3.3Å
89V95.3Very high95.4Very high37 Ų3769 Ų6922%0.22438%0.381CS..G310 helixtrans-65.4-21.7-178.166.90000113.9L87 T99 V104L87-V89 HydrophobicContact CB-CG1 4.39Å; L87-V89 PolarHBondContact O-N 3.43Å; L87-V89 VanDerWaalsContact O-N 3.16Å; V89-T99 HydrophobicContact CG2-CG2 3.75Å; V89-V104 HydrophobicContact CG1-CG2 4.3Å; V89-V104 HydrophobicContact CG2-CG2 4.42Å
90I95.4Very high95.3Very high19 Ų1972.6 Ų72.610%0.09740%0.397CS..G310 helixtrans-114.310.5177.158.9169.9000112.8P65 P66 I68 L87 P88 W95 V104P65-I90 HydrophobicContact CB-CB 4.04Å; P65-I90 VanDerWaalsContact CB-O 3.29Å; P65-I90 WeakPolarHBondContact CB-O 3.4Å; P65-I90 WeakPolarHBondContact CG-O 3.3Å; P66-I90 HydrophobicContact CG-CG2 3.99Å; I68-I90 HydrophobicContact CD1-CD1 4.11Å; I68-I90 HydrophobicContact CG1-CD1 4.09Å; L87-I90 HydrophobicContact CB-CD1 3.96Å; L87-I90 HydrophobicContact CB-CG1 3.59Å; L87-I90 HydrophobicContact CD1-CD1 4.28Å; L87-I90 WeakPolarHBondContact O-CG1 3.48Å; L87-I90 PolarHBondContact O-N 2.86Å; L87-I90 VanDerWaalsContact O-N 3.09Å; P88-I90 PolarHBondContact O-N 3.26Å; I90-W95 HydrophobicContact CG2-CE3 4.22Å; I90-W95 HydrophobicContact CG2-CZ3 4.03Å; I90-V104 HydrophobicContact CG2-CB 4.35Å; I90-V104 HydrophobicContact CG2-CG1 3.64Å; I90-V104 HydrophobicContact CG2-CG2 3.69Å
91S94.5Very high95.2Very high37 Ų3771 Ų7126%0.25939%0.388SS..SBendtrans-67.3145.3171.779.60000109.6L87 P88 E93 N94 W95L87-S91 PolarHBondContact O-N 3.48Å; P88-S91 PolarHBondContact O-N 3.08Å; P88-S91 PolarHBondContact O-OG 3.23Å; S91-E93 PolarHBondContact O-N 2.81Å; S91-E93 VanDerWaalsContact O-N 3.15Å; S91-N94 PolarHBondContact O-N 2.83Å; S91-N94 VanDerWaalsContact O-N 3.16Å; S91-N94 WeakPolarHBondContact OG-CB 3.36Å; S91-N94 PolarHBondContact OG-N 3.31Å; S91-N94 PolarHBondContact OG-ND2 3.43Å; S91-W95 VanDerWaalsContact O-CB 3.29Å; S91-W95 WeakPolarHBondContact O-CB 3.5Å; S91-W95 PolarHBondContact O-N 3.05Å
92A92.4Very high95.2Very high91 Ų9165.3 Ų65.375%0.75236%0.363SS*.THydrogen-bonded Turntrans-58.3-30.9-17800000112.7
93E93.4Very high95.2Very high184 Ų18461.9 Ų61.986%0.8635%0.35SS*.THydrogen-bonded Turntrans-76.1-32.7-179.2-59.9178.9-177.900113S91S91-E93 PolarHBondContact O-N 2.81Å; S91-E93 VanDerWaalsContact O-N 3.15Å
94N94.9Very high95.3Very high94 Ų9461.7 Ų61.750%0.50335%0.347SS..THydrogen-bonded Turntrans-104.6-9.5-175.7-64.6-36000113.5P88 S91 K96P88-N94 VanDerWaalsContact O-CB 3.29Å; P88-N94 WeakPolarHBondContact O-CB 3.3Å; S91-N94 PolarHBondContact O-N 2.83Å; S91-N94 VanDerWaalsContact O-N 3.16Å; S91-N94 WeakPolarHBondContact OG-CB 3.36Å; S91-N94 PolarHBondContact OG-N 3.31Å; S91-N94 PolarHBondContact OG-ND2 3.43Å; N94-K96 PolarHBondContact O-N 2.77Å
95W97.3Very high95.2Very high25 Ų2556.4 Ų56.410%0.09532%0.323CS..  trans-62.1127-176.9177-108.9000111Y61 P62 P65 I90 S91 T99 V104Y61-W95 HydrophobicContact CD2-CZ2 4.22Å; Y61-W95 AromaticContact CE2-CH2 3.87Å; Y61-W95 HydrophobicContact CE2-CH2 3.87Å; Y61-W95 AromaticContact CE2-CZ2 3.66Å; Y61-W95 HydrophobicContact CE2-CZ2 3.66Å; P62-W95 PolarHBondContact O-NE1 3.29Å; P65-W95 HydrophobicContact CB-CB 4.01Å; P65-W95 HydrophobicContact CB-CD2 3.52Å; P65-W95 HydrophobicContact CB-CE3 3.71Å; P65-W95 HydrophobicContact CB-CG 3.64Å; P65-W95 HydrophobicContact CB-CZ3 4.42Å; P65-W95 HydrophobicContact CG-CB 4.15Å; P65-W95 HydrophobicContact CG-CD2 4.46Å; P65-W95 HydrophobicContact CG-CG 4.08Å; I90-W95 HydrophobicContact CG2-CE3 4.22Å; I90-W95 HydrophobicContact CG2-CZ3 4.03Å; S91-W95 VanDerWaalsContact O-CB 3.29Å; S91-W95 WeakPolarHBondContact O-CB 3.5Å; S91-W95 PolarHBondContact O-N 3.05Å; W95-T99 HydrophobicContact CE3-CG2 4.47Å; W95-T99 HydrophobicContact CH2-CG2 4.23Å; W95-T99 HydrophobicContact CZ3-CG2 3.73Å; W95-V104 HydrophobicContact CZ3-CG2 4.13Å
96K96.5Very high95.2Very high143 Ų14360.8 Ų60.862%0.62234%0.342SS*.  trans-114129.4172.8-64.7177.6-175.91770107.8N94 A98 T99N94-K96 PolarHBondContact O-N 2.77Å; K96-A98 PolarHBondContact O-N 2.79Å; K96-T99 VanDerWaalsContact O-CB 3.24Å; K96-T99 WeakPolarHBondContact O-CB 3.26Å; K96-T99 PolarHBondContact O-N 3.05Å; K96-T99 PolarHBondContact O-OG1 2.87Å; K96-T99 VanDerWaalsContact O-OG1 3.12Å
97P96.1Very high95.4Very high54 Ų5458.8 Ų58.835%0.35133%0.329SS..THydrogen-bonded Turntrans-57.4-20.5175.9-27.835.8000113.8R6 P62 F63 T99R6-P97 PolarHBondContact NH1-O 2.97Å; R6-P97 PolarHBondContact NH2-O 2.84Å; P62-P97 HydrophobicContact CB-CB 4.21Å; P62-P97 HydrophobicContact CG-CB 4.25Å; P62-P97 VanDerWaalsContact O-CA 3.28Å; P62-P97 WeakPolarHBondContact O-CA 3.35Å; P62-P97 WeakPolarHBondContact O-CB 3.22Å; F63-P97 HydrophobicContact CD1-CG 4.34Å; P97-T99 VanDerWaalsContact C-N 3.31Å
98A96.4Very high95.5Very high83 Ų8358.4 Ų58.469%0.68633%0.327SS*.THydrogen-bonded Turntrans-74-18174.600000114K96 K100K96-A98 PolarHBondContact O-N 2.79Å; A98-K100 PolarHBondContact O-N 2.95Å
99T96.8Very high95.6Very high16 Ų1655.5 Ų55.510%0.09831%0.307CS..  trans-63.7128.1179.1-58.30000110.4R6 V89 W95 K96 P97 Q103 V104R6-T99 PolarHBondContact NH2-O 3.43Å; V89-T99 HydrophobicContact CG2-CG2 3.75Å; W95-T99 HydrophobicContact CE3-CG2 4.47Å; W95-T99 HydrophobicContact CH2-CG2 4.23Å; W95-T99 HydrophobicContact CZ3-CG2 3.73Å; K96-T99 VanDerWaalsContact O-CB 3.24Å; K96-T99 WeakPolarHBondContact O-CB 3.26Å; K96-T99 PolarHBondContact O-N 3.05Å; K96-T99 PolarHBondContact O-OG1 2.87Å; K96-T99 VanDerWaalsContact O-OG1 3.12Å; P97-T99 VanDerWaalsContact C-N 3.31Å; T99-Q103 HydrophobicContact CG2-CB 4.45Å; T99-V104 HydrophobicContact CG2-CG2 3.9Å
100K95.9Very high95.6Very high77 Ų7756.2 Ų56.234%0.33532%0.317SS..  trans-92.6158.6179-70.4-172.7173.4-1640111.8E13 A98 D102 Q103 V104E13-K100 IonicContact OE2-NZ 3.45Å; E13-K100 PolarHBondContact OE2-NZ 2.85Å; A98-K100 PolarHBondContact O-N 2.95Å; K100-D102 VanDerWaalsContact C-N 3.32Å; K100-D102 WeakPolarHBondContact CB-OD1 3.33Å; K100-D102 PolarHBondContact O-N 3.25Å; K100-Q103 HydrophobicContact CB-CG 4.43Å; K100-Q103 WeakPolarHBondContact O-CB 3.35Å; K100-Q103 PolarHBondContact O-N 2.91Å; K100-V104 PolarHBondContact O-N 3.1Å
101T95.9Very high95.6Very high1 Ų155.8 Ų55.81%0.00632%0.315CS..Hα-helixtrans-65.4-34.4-178.3-54.20000112.5E10 I14 W35 I55 F57 Q103 V104 I105E10-T101 WeakPolarHBondContact OE2-CB 3.2Å; E10-T101 PolarHBondContact OE2-N 2.8Å; E10-T101 PolarHBondContact OE2-OG1 3.23Å; I14-T101 HydrophobicContact CD1-CG2 4.19Å; W35-T101 HydrophobicContact CE3-CG2 4.17Å; W35-T101 HydrophobicContact CH2-CG2 4.34Å; W35-T101 HydrophobicContact CZ3-CG2 3.7Å; I55-T101 HydrophobicContact CD1-CG2 4.36Å; F57-T101 HydrophobicContact CE1-CG2 4.25Å; F57-T101 HydrophobicContact CZ-CG2 3.77Å; T101-Q103 PolarHBondContact O-N 2.81Å; T101-V104 WeakPolarHBondContact O-CB 3.47Å; T101-V104 PolarHBondContact O-N 3.3Å; T101-I105 HydrophobicContact CG2-CD1 3.87Å; T101-I105 HydrophobicContact CG2-CG1 4.38Å; T101-I105 WeakPolarHBondContact O-CG1 3.34Å; T101-I105 PolarHBondContact O-N 3.2Å
102D95Very high95.7Very high44 Ų4454 Ų5424%0.23530%0.302CS..Hα-helixtrans-60.5-42.9175.163.1-22000112I14 K100 V104 I105 Q106I14-D102 HydrophobicContact CD1-CB 4.27Å; I14-D102 HydrophobicContact CG1-CB 3.98Å; K100-D102 VanDerWaalsContact C-N 3.32Å; K100-D102 WeakPolarHBondContact CB-OD1 3.33Å; K100-D102 PolarHBondContact O-N 3.25Å; D102-V104 VanDerWaalsContact C-N 3.31Å; D102-V104 PolarHBondContact O-N 3.12Å; D102-I105 PolarHBondContact O-N 3.28Å; D102-Q106 WeakPolarHBondContact O-CB 3.4Å; D102-Q106 VanDerWaalsContact O-CG 3.26Å; D102-Q106 WeakPolarHBondContact O-CG 3.38Å; D102-Q106 PolarHBondContact O-N 3.33Å
103Q95.7Very high95.7Very high94 Ų9450.9 Ų50.944%0.43927%0.273SS..Hα-helixtrans-62-40.6175.4-62.3177.6-47.300111.4T99 K100 T101 Q106 S107T99-Q103 HydrophobicContact CG2-CB 4.45Å; K100-Q103 HydrophobicContact CB-CG 4.43Å; K100-Q103 WeakPolarHBondContact O-CB 3.35Å; K100-Q103 PolarHBondContact O-N 2.91Å; T101-Q103 PolarHBondContact O-N 2.81Å; Q103-Q106 PolarHBondContact O-N 3.25Å; Q103-S107 WeakPolarHBondContact O-CB 3.35Å; Q103-S107 PolarHBondContact O-N 3.32Å
104V96.9Very high95.7Very high1 Ų147.1 Ų47.11%0.00626%0.258CS..Hα-helixtrans-63.9-46175.9174.60000110.9I68 V89 I90 W95 T99 K100 T101 D102 S107 L108I68-V104 HydrophobicContact CD1-CG1 3.54Å; V89-V104 HydrophobicContact CG1-CG2 4.3Å; V89-V104 HydrophobicContact CG2-CG2 4.42Å; I90-V104 HydrophobicContact CG2-CB 4.35Å; I90-V104 HydrophobicContact CG2-CG1 3.64Å; I90-V104 HydrophobicContact CG2-CG2 3.69Å; W95-V104 HydrophobicContact CZ3-CG2 4.13Å; T99-V104 HydrophobicContact CG2-CG2 3.9Å; K100-V104 PolarHBondContact O-N 3.1Å; T101-V104 WeakPolarHBondContact O-CB 3.47Å; T101-V104 PolarHBondContact O-N 3.3Å; D102-V104 VanDerWaalsContact C-N 3.31Å; D102-V104 PolarHBondContact O-N 3.12Å; V104-S107 PolarHBondContact O-N 3.35Å; V104-L108 PolarHBondContact O-N 2.75Å
105I96.1Very high95.7Very high0 Ų043.1 Ų43.10%024%0.238CC..Hα-helixtrans-63.8-43.2178.1-67.9161.5000110.8I14 M19 F22 I55 T101 D102 S107 L108 I109I14-I105 HydrophobicContact CD1-CD1 4.22Å; M19-I105 HydrophobicContact CE-CB 4.45Å; M19-I105 HydrophobicContact CE-CD1 4.03Å; M19-I105 HydrophobicContact CE-CG2 4.04Å; F22-I105 HydrophobicContact CB-CG2 3.91Å; F22-I105 HydrophobicContact CD1-CD1 3.8Å; F22-I105 HydrophobicContact CD1-CG2 4.22Å; F22-I105 HydrophobicContact CD2-CG2 4.16Å; F22-I105 HydrophobicContact CE1-CD1 3.61Å; F22-I105 HydrophobicContact CG-CD1 4.46Å; F22-I105 HydrophobicContact CG-CG2 3.84Å; F22-I105 HydrophobicContact CZ-CD1 4.16Å; I55-I105 HydrophobicContact CD1-CD1 4.08Å; I55-I105 HydrophobicContact CD1-CG1 3.95Å; T101-I105 HydrophobicContact CG2-CD1 3.87Å; T101-I105 HydrophobicContact CG2-CG1 4.38Å; T101-I105 WeakPolarHBondContact O-CG1 3.34Å; T101-I105 PolarHBondContact O-N 3.2Å; D102-I105 PolarHBondContact O-N 3.28Å; I105-S107 PolarHBondContact O-N 3.01Å; I105-L108 WeakPolarHBondContact O-CB 3.42Å; I105-L108 PolarHBondContact O-N 3.43Å; I105-I109 HydrophobicContact CG2-CD1 3.67Å; I105-I109 HydrophobicContact CG2-CG1 4.37Å; I105-I109 VanDerWaalsContact O-CG1 3.3Å; I105-I109 WeakPolarHBondContact O-CG1 3.2Å; I105-I109 PolarHBondContact O-N 2.87Å
106Q94.9Very high95.6Very high108 Ų10845.6 Ų45.651%0.50525%0.251SS..Hα-helixtrans-61.2-43.9176.1-74.1172.14.700111.8D102 Q103 L108 I109 A110D102-Q106 WeakPolarHBondContact O-CB 3.4Å; D102-Q106 VanDerWaalsContact O-CG 3.26Å; D102-Q106 WeakPolarHBondContact O-CG 3.38Å; D102-Q106 PolarHBondContact O-N 3.33Å; Q103-Q106 PolarHBondContact O-N 3.25Å; Q106-L108 VanDerWaalsContact C-N 3.28Å; Q106-L108 PolarHBondContact O-N 3.01Å; Q106-I109 PolarHBondContact O-N 2.86Å; Q106-A110 WeakPolarHBondContact O-CB 3.49Å; Q106-A110 PolarHBondContact O-N 2.86Å
107S96.3Very high95.5Very high44 Ų4440.7 Ų40.731%0.30823%0.233SC..Hα-helixtrans-61.9-36.7175.1-175.20000112.1Q103 V104 I105 L111Q103-S107 WeakPolarHBondContact O-CB 3.35Å; Q103-S107 PolarHBondContact O-N 3.32Å; V104-S107 PolarHBondContact O-N 3.35Å; I105-S107 PolarHBondContact O-N 3.01Å; S107-L111 PolarHBondContact O-N 3.39Å; S107-L111 VanDerWaalsContact O-N 3.08Å
108L96.8Very high95.4Very high0 Ų043.4 Ų43.40%024%0.241CC..Hα-helixtrans-68.1-43.9176.3-179.655.5000112.1I39 I53 I68 F70 V85 L87 V104 I105 Q106 A110 L111 V112I39-L108 HydrophobicContact CD1-CD2 3.6Å; I39-L108 HydrophobicContact CD1-CG 3.8Å; I53-L108 HydrophobicContact CD1-CD2 3.89Å; I53-L108 HydrophobicContact CG2-CD2 4.4Å; I68-L108 HydrophobicContact CD1-CD2 4.01Å; I68-L108 HydrophobicContact CG2-CD2 3.78Å; F70-L108 HydrophobicContact CE2-CD1 3.77Å; F70-L108 HydrophobicContact CE2-CD2 4.22Å; F70-L108 HydrophobicContact CE2-CG 4.46Å; F70-L108 HydrophobicContact CZ-CD1 3.88Å; F70-L108 HydrophobicContact CZ-CD2 4.24Å; F70-L108 HydrophobicContact CZ-CG 4.29Å; V85-L108 HydrophobicContact CG1-CD1 4.29Å; V85-L108 HydrophobicContact CG2-CD1 4.08Å; L87-L108 HydrophobicContact CD1-CB 3.79Å; L87-L108 HydrophobicContact CD1-CD1 3.78Å; L87-L108 HydrophobicContact CD1-CG 4.22Å; L87-L108 HydrophobicContact CG-CD1 4.43Å; V104-L108 PolarHBondContact O-N 2.75Å; I105-L108 WeakPolarHBondContact O-CB 3.42Å; I105-L108 PolarHBondContact O-N 3.43Å; Q106-L108 VanDerWaalsContact C-N 3.28Å; Q106-L108 PolarHBondContact O-N 3.01Å; L108-A110 VanDerWaalsContact C-N 3.32Å; L108-A110 PolarHBondContact O-N 3.21Å; L108-L111 PolarHBondContact O-N 2.9Å; L108-V112 HydrophobicContact CD1-CG2 4.38Å; L108-V112 WeakPolarHBondContact O-CG2 3.48Å; L108-V112 PolarHBondContact O-N 2.75Å
109I95.2Very high95.3Very high14 Ų1445.9 Ų45.97%0.07224%0.238CC..Hα-helixtrans-63.4-41.6177.9-67.7163.4000110.4N21 F22 I39 I105 Q106 L111 V112 N113N21-I109 HydrophobicContact CB-CD1 3.84Å; N21-I109 HydrophobicContact CB-CG2 4.26Å; F22-I109 HydrophobicContact CB-CD1 4.44Å; I39-I109 HydrophobicContact CG1-CG1 4.47Å; I39-I109 HydrophobicContact CG2-CG1 4.05Å; I105-I109 HydrophobicContact CG2-CD1 3.67Å; I105-I109 HydrophobicContact CG2-CG1 4.37Å; I105-I109 VanDerWaalsContact O-CG1 3.3Å; I105-I109 WeakPolarHBondContact O-CG1 3.2Å; I105-I109 PolarHBondContact O-N 2.87Å; Q106-I109 PolarHBondContact O-N 2.86Å; I109-L111 VanDerWaalsContact C-N 3.34Å; I109-L111 PolarHBondContact O-N 2.83Å; I109-V112 PolarHBondContact O-N 3.01Å; I109-N113 WeakPolarHBondContact O-CB 3.39Å; I109-N113 PolarHBondContact O-N 3.47Å; I109-N113 PolarHBondContact O-ND2 2.79Å
110A95.2Very high95.3Very high51 Ų5147.3 Ų47.342%0.42125%0.248SC..Hα-helixtrans-58.4-46173.800000111.4Q106 L108 V112 N113 D114Q106-A110 WeakPolarHBondContact O-CB 3.49Å; Q106-A110 PolarHBondContact O-N 2.86Å; L108-A110 VanDerWaalsContact C-N 3.32Å; L108-A110 PolarHBondContact O-N 3.21Å; A110-V112 VanDerWaalsContact C-N 3.34Å; A110-V112 PolarHBondContact O-N 3.06Å; A110-N113 PolarHBondContact O-N 2.63Å; A110-D114 PolarHBondContact O-N 3.21Å
111L95.8Very high95.3Very high11 Ų1147.1 Ų47.16%0.05825%0.25CC..Hα-helixtrans-62.4-39176.8-178.264.1000112.8H76 N78 V85 L87 S107 L108 I109 D114 Q116H76-L111 PolarHBondContact CE1-O 3.07Å; H76-L111 VanDerWaalsContact CE1-O 3.3Å; H76-L111 PolarHBondContact NE2-O 2.91Å; N78-L111 HydrophobicContact CB-CD1 4.01Å; N78-L111 HydrophobicContact CB-CD2 4.04Å; N78-L111 HydrophobicContact CB-CG 4.19Å; V85-L111 HydrophobicContact CG2-CD2 3.66Å; L87-L111 HydrophobicContact CD2-CB 4.4Å; L87-L111 HydrophobicContact CD2-CD2 3.9Å; L87-L111 HydrophobicContact CG-CD2 4.32Å; S107-L111 PolarHBondContact O-N 3.39Å; S107-L111 VanDerWaalsContact O-N 3.08Å; L108-L111 PolarHBondContact O-N 2.9Å; I109-L111 VanDerWaalsContact C-N 3.34Å; I109-L111 PolarHBondContact O-N 2.83Å; L111-D114 CarbonylContact O-C 3.11Å; L111-Q116 HydrophobicContact CD1-CB 4.28Å; L111-Q116 HydrophobicContact CD1-CG 3.97Å
112V96.1Very high95.4Very high0 Ų048.7 Ų48.70%026%0.256CS..Hα-helixtrans-66.6-39.1177.11700000111.4P41 Y46 F70 I74 H76 I79 L108 I109 A110P41-V112 HydrophobicContact CB-CG1 4.33Å; P41-V112 HydrophobicContact CG-CG1 3.84Å; Y46-V112 HydrophobicContact CD2-CG1 4.13Å; Y46-V112 VanDerWaalsContact CD2-O 3.22Å; Y46-V112 WeakPolarHBondContact CD2-O 3.45Å; Y46-V112 WeakPolarHBondContact CE2-O 3.33Å; Y46-V112 HydrophobicContact CG-CG1 4.48Å; F70-V112 HydrophobicContact CE1-CG2 4.38Å; F70-V112 HydrophobicContact CZ-CG2 3.86Å; I74-V112 HydrophobicContact CD1-CG1 4.31Å; H76-V112 PolarHBondContact NE2-O 3.32Å; I79-V112 HydrophobicContact CD1-CG2 4.33Å; L108-V112 HydrophobicContact CD1-CG2 4.38Å; L108-V112 WeakPolarHBondContact O-CG2 3.48Å; L108-V112 PolarHBondContact O-N 2.75Å; I109-V112 PolarHBondContact O-N 3.01Å; A110-V112 VanDerWaalsContact C-N 3.34Å; A110-V112 PolarHBondContact O-N 3.06Å
113N92.9Very high95.5Very high25 Ų2549.9 Ų49.913%0.13427%0.272CS..Hα-helixtrans-73.8-38.6179-75.9-28.1000112.2N43 I109 A110 P115N43-N113 HydrophobicContact CB-CB 4.46Å; I109-N113 WeakPolarHBondContact O-CB 3.39Å; I109-N113 PolarHBondContact O-N 3.47Å; I109-N113 PolarHBondContact O-ND2 2.79Å; A110-N113 PolarHBondContact O-N 2.63Å; N113-P115 WeakPolarHBondContact O-CD 3.28Å
114D93.1Very high95.6Very high104 Ų10449.7 Ų49.756%0.55627%0.274SS*.SBendtrans-123.785-177.1-66.9-46.6000110.9A110 L111A110-D114 PolarHBondContact O-N 3.21Å; L111-D114 CarbonylContact O-C 3.11Å
115P94.3Very high95.6Very high11 Ų1149.8 Ų49.87%0.07127%0.274CS..  trans-59.4141.4178.2-17.222.1000113H76 P77 N113 P117 Y129H76-P115 WeakPolarHBondContact NE2-CG 3.42Å; P77-P115 HydrophobicContact CG-CB 3.51Å; P77-P115 HydrophobicContact CG-CG 4.5Å; N113-P115 WeakPolarHBondContact O-CD 3.28Å; P115-P117 WeakPolarHBondContact O-CD 3.31Å; P115-Y129 HydrophobicContact CB-CE1 4.2Å; P115-Y129 HydrophobicContact CB-CE2 4.04Å; P115-Y129 WeakPolarHBondContact CD-OH 3.39Å; P115-Y129 HydrophobicContact CG-CE2 3.73Å; P115-Y129 PolarHBondContact O-OH 3.44Å
116Q95.4Very high95.7Very high77 Ų7750 Ų5036%0.3628%0.276SS..  trans-105.688.6-177.6-70.6-177.6-31.300111.2N78 L111 E118 H119N78-Q116 PolarHBondContact ND2-O 3.13Å; N78-Q116 PolarHBondContact OD1-N 3.46Å; L111-Q116 HydrophobicContact CD1-CB 4.28Å; L111-Q116 HydrophobicContact CD1-CG 3.97Å; Q116-E118 VanDerWaalsContact C-OE2 3.28Å; Q116-E118 WeakPolarHBondContact CB-OE1 3.4Å; Q116-E118 PolarHBondContact O-N 3.39Å; Q116-H119 PolarHBondContact O-N 2.85Å
117P94.6Very high95.8Very high39 Ų3949.7 Ų49.725%0.25328%0.275SS..THydrogen-bonded Turntrans-67.4-17-174.628.2-36.3000114.6P115 H119 P120 A126 Y129 S130P115-P117 WeakPolarHBondContact O-CD 3.31Å; P117-H119 VanDerWaalsContact C-N 3.32Å; P117-P120 WeakPolarHBondContact O-CD 3.36Å; P117-A126 HydrophobicContact CB-CB 4.15Å; P117-Y129 HydrophobicContact CB-CD1 3.98Å; P117-Y129 HydrophobicContact CB-CE1 4.42Å; P117-Y129 HydrophobicContact CG-CD1 3.96Å; P117-Y129 HydrophobicContact CG-CE1 3.97Å; P117-S130 WeakPolarHBondContact CB-OG 3.18Å
118E94.8Very high95.9Very high112 Ų11248.8 Ų48.852%0.52327%0.265SS..THydrogen-bonded Turntrans-74-21.4177.267.8-78.9-176.300113.6Q116 P120Q116-E118 VanDerWaalsContact C-OE2 3.28Å; Q116-E118 WeakPolarHBondContact CB-OE1 3.4Å; Q116-E118 PolarHBondContact O-N 3.39Å; E118-P120 VanDerWaalsContact C-CD 3.49Å
119H93.6Very high95.9Very high135 Ų13549.5 Ų49.563%0.62527%0.268SS*.SBendtrans-130.959.5179.6-58.5-41.9000111.9N78 Q116 P117N78-H119 PolarHBondContact ND2-O 3.36Å; Q116-H119 PolarHBondContact O-N 2.85Å; P117-H119 VanDerWaalsContact C-N 3.32Å
120P96.3Very high96Very high46 Ų4652.6 Ų52.630%0.29929%0.291SS..  trans-86.1150.3-172.637.2-34000112P77 P117 E118 A126P77-P120 HydrophobicContact CB-CB 4.37Å; P117-P120 WeakPolarHBondContact O-CD 3.36Å; E118-P120 VanDerWaalsContact C-CD 3.49Å; P120-A126 HydrophobicContact CB-CB 3.48Å; P120-A126 VanDerWaalsContact CB-CB 3.48Å; P120-A126 HydrophobicContact CG-CB 3.74Å
121L97Very high96.1Very high72 Ų7257.6 Ų57.638%0.37730%0.303SS..SBendtrans-87-23.1161-69.7-176.8000111.5P77 N78 D80 Q84P77-L121 PolarHBondContact O-N 3.37Å; N78-L121 WeakPolarHBondContact O-CD1 3.46Å; D80-L121 HydrophobicContact CB-CB 4.35Å; D80-L121 HydrophobicContact CB-CD1 4.36Å; Q84-L121 WeakPolarHBondContact O-CD1 3.46Å
122R97.7Very high96.1Very high35 Ų3560.5 Ų60.513%0.13232%0.319CS..  trans-122.891.5179-69.7-168.460.2179.7-2.6110.1P77 I79 D124 L125 A126P77-R122 PolarHBondContact O-N 2.94Å; I79-R122 VanDerWaalsContact O-CD 3.31Å; I79-R122 WeakPolarHBondContact O-CD 3.49Å; R122-D124 VanDerWaalsContact C-N 3.28Å; R122-D124 WeakPolarHBondContact CB-OD1 3.35Å; R122-D124 IonicContact CZ-OD2 2.78Å; R122-D124 IonicContact NE-OD1 3.63Å; R122-D124 IonicContact NE-OD2 3.59Å; R122-D124 IonicContact NH2-OD2 3.52Å; R122-D124 PolarHBondContact NH2-OD2 3.26Å; R122-D124 PolarHBondContact O-N 3.31Å; R122-L125 HydrophobicContact CB-CB 4.11Å; R122-L125 HydrophobicContact CB-CD1 4.32Å; R122-L125 HydrophobicContact CB-CG 4.01Å; R122-L125 PolarHBondContact O-N 3.48Å; R122-A126 PolarHBondContact O-N 2.85Å
123A97.4Very high96.1Very high69 Ų6966 Ų6657%0.5734%0.34SS*.Hα-helixtrans-63.3-33.8-175.700000112.8L125 A126 E127A123-L125 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 3.44Å; A123-A126 PolarHBondContact O-N 3.41Å; A123-E127 WeakPolarHBondContact O-CB 3.47Å; A123-E127 PolarHBondContact O-N 2.99Å
124D96.9Very high96.3Very high90 Ų9073.5 Ų73.548%0.48137%0.371SS..Hα-helixtrans-55.9-47.3172.959.9-44.1000111.8R122 E128R122-D124 VanDerWaalsContact C-N 3.28Å; R122-D124 WeakPolarHBondContact CB-OD1 3.35Å; R122-D124 IonicContact CZ-OD2 2.78Å; R122-D124 IonicContact NE-OD1 3.63Å; R122-D124 IonicContact NE-OD2 3.59Å; R122-D124 IonicContact NH2-OD2 3.52Å; R122-D124 PolarHBondContact NH2-OD2 3.26Å; R122-D124 PolarHBondContact O-N 3.31Å; D124-E128 PolarHBondContact O-N 3.44Å; D124-E128 VanDerWaalsContact O-N 3.07Å
125L97.9Very high96.6Very high2 Ų273.7 Ų73.71%0.0137%0.367CS..Hα-helixtrans-72.5-35.8179.6-64.1-159.2000112.5Y75 P77 R122 A123 E128 Y129 F136Y75-L125 HydrophobicContact CD1-CD1 3.99Å; Y75-L125 HydrophobicContact CD1-CD2 4.34Å; Y75-L125 HydrophobicContact CD2-CD1 4.23Å; Y75-L125 HydrophobicContact CD2-CD2 4.39Å; Y75-L125 HydrophobicContact CE1-CD1 4.05Å; Y75-L125 HydrophobicContact CE1-CD2 3.58Å; Y75-L125 HydrophobicContact CE1-CG 4.38Å; Y75-L125 HydrophobicContact CE2-CD1 4.27Å; Y75-L125 HydrophobicContact CE2-CD2 3.62Å; Y75-L125 HydrophobicContact CG-CD1 4.1Å; Y75-L125 WeakPolarHBondContact OH-CD2 3.33Å; P77-L125 HydrophobicContact CB-CB 4.06Å; R122-L125 HydrophobicContact CB-CB 4.11Å; R122-L125 HydrophobicContact CB-CD1 4.32Å; R122-L125 HydrophobicContact CB-CG 4.01Å; R122-L125 PolarHBondContact O-N 3.48Å; A123-L125 VanDerWaalsContact C-N 3.34Å; A123-L125 PolarHBondContact O-N 3.44Å; L125-E128 PolarHBondContact O-N 2.74Å; L125-Y129 WeakPolarHBondContact O-CB 3.4Å; L125-Y129 PolarHBondContact O-N 2.91Å; L125-F136 HydrophobicContact CB-CE2 4.26Å
126A97.6Very high96.7Very high4 Ų473.1 Ų73.13%0.03336%0.363CS..Hα-helixtrans-66.6-40.1177.600000111.7P77 P117 P120 R122 A123 Y129 S130P77-A126 HydrophobicContact CB-CB 3.97Å; P117-A126 HydrophobicContact CB-CB 4.15Å; P120-A126 HydrophobicContact CB-CB 3.48Å; P120-A126 VanDerWaalsContact CB-CB 3.48Å; P120-A126 HydrophobicContact CG-CB 3.74Å; R122-A126 PolarHBondContact O-N 2.85Å; A123-A126 PolarHBondContact O-N 3.41Å; A126-Y129 PolarHBondContact O-N 3.22Å; A126-S130 WeakPolarHBondContact O-CB 3.46Å; A126-S130 PolarHBondContact O-N 3Å; A126-S130 PolarHBondContact O-OG 3.29Å
127E97.9Very high96.8Very high103 Ų10372.4 Ų72.448%0.48136%0.359SS..Hα-helixtrans-64.2-46.7173.6-176.9174.4-172.200111A123 Y129 S130 K131A123-E127 WeakPolarHBondContact O-CB 3.47Å; A123-E127 PolarHBondContact O-N 2.99Å; E127-Y129 PolarHBondContact O-N 3.49Å; E127-S130 PolarHBondContact O-N 2.99Å; E127-K131 HydrophobicContact CG-CD 3.78Å; E127-K131 HydrophobicContact CG-CG 4.32Å; E127-K131 WeakPolarHBondContact O-CB 3.47Å; E127-K131 WeakPolarHBondContact O-CG 3.42Å; E127-K131 PolarHBondContact O-N 3.35Å; E127-K131 WeakPolarHBondContact OE1-CE 2.93Å; E127-K131 IonicContact OE1-NZ 2.79Å; E127-K131 PolarHBondContact OE1-NZ 3.36Å
128E97.9Very high97Very high24 Ų2476.6 Ų76.611%0.11237%0.373CS..Hα-helixtrans-60.7-45.8175.8-171.2176.8-118.700111.6Y75 D124 L125 S130 K131 D132 K135 F136 N139Y75-E128 PolarHBondContact OH-OE2 3.35Å; D124-E128 PolarHBondContact O-N 3.44Å; D124-E128 VanDerWaalsContact O-N 3.07Å; L125-E128 PolarHBondContact O-N 2.74Å; E128-S130 PolarHBondContact O-N 2.63Å; E128-K131 PolarHBondContact O-N 2.77Å; E128-D132 CarbonylContact O-C 3.58Å; E128-D132 WeakPolarHBondContact O-CA 3.44Å; E128-D132 PolarHBondContact O-N 3.28Å; E128-D132 VanDerWaalsContact O-O 3.14Å; E128-K135 VanDerWaalsContact OE1-CD 3.23Å; E128-K135 WeakPolarHBondContact OE1-CD 3.26Å; E128-K135 WeakPolarHBondContact OE1-CE 3.42Å; E128-K135 WeakPolarHBondContact OE1-CG 3.35Å; E128-K135 IonicContact OE1-NZ 3.87Å; E128-K135 PolarHBondContact OE1-NZ 3.44Å; E128-F136 HydrophobicContact CG-CB 4.16Å; E128-N139 PolarHBondContact OE1-ND2 3.11Å; E128-N139 VanDerWaalsContact OE1-ND2 3.11Å; E128-N139 PolarHBondContact OE2-ND2 3.36Å; E128-N139 VanDerWaalsContact OE2-ND2 3.11Å
129Y97.2Very high97.2Very high15 Ų1573.3 Ų73.36%0.05936%0.359CS..Hα-helixtrans-59.3-35.2177.3179.1-102.4000113P115 P117 L125 A126 E127 R133 F136 F137P115-Y129 HydrophobicContact CB-CE1 4.2Å; P115-Y129 HydrophobicContact CB-CE2 4.04Å; P115-Y129 WeakPolarHBondContact CD-OH 3.39Å; P115-Y129 HydrophobicContact CG-CE2 3.73Å; P115-Y129 PolarHBondContact O-OH 3.44Å; P117-Y129 HydrophobicContact CB-CD1 3.98Å; P117-Y129 HydrophobicContact CB-CE1 4.42Å; P117-Y129 HydrophobicContact CG-CD1 3.96Å; P117-Y129 HydrophobicContact CG-CE1 3.97Å; L125-Y129 WeakPolarHBondContact O-CB 3.4Å; L125-Y129 PolarHBondContact O-N 2.91Å; A126-Y129 PolarHBondContact O-N 3.22Å; E127-Y129 PolarHBondContact O-N 3.49Å; Y129-R133 VanDerWaalsContact CZ-NH2 3.28Å; Y129-R133 WeakPolarHBondContact O-CD 3.43Å; Y129-R133 PolarHBondContact OH-NH1 2.94Å; Y129-R133 VanDerWaalsContact OH-NH1 3.12Å; Y129-R133 PolarHBondContact OH-NH2 3.4Å; Y129-F136 AromaticContact CD2-CD1 3.57Å; Y129-F136 HydrophobicContact CD2-CD1 3.57Å; Y129-F136 HydrophobicContact CD2-CD2 4.3Å; Y129-F136 AromaticContact CD2-CE1 3.64Å; Y129-F136 HydrophobicContact CD2-CE1 3.64Å; Y129-F136 HydrophobicContact CD2-CE2 4.36Å; Y129-F136 AromaticContact CD2-CG 3.92Å; Y129-F136 HydrophobicContact CD2-CG 3.92Å; Y129-F136 HydrophobicContact CD2-CZ 4.05Å; Y129-F136 HydrophobicContact CE2-CD1 4.33Å; Y129-F136 HydrophobicContact CE2-CE1 4.16Å; Y129-F136 HydrophobicContact CG-CG 4.49Å; Y129-F137 HydrophobicContact CE2-CE2 4.19Å
130S96.3Very high97.4Very high79 Ų7966.9 Ų66.955%0.55233%0.33SS*.Hα-helixtrans-83-39.1-178.4-56.20000112.8P117 A126 E127 E128P117-S130 WeakPolarHBondContact CB-OG 3.18Å; A126-S130 WeakPolarHBondContact O-CB 3.46Å; A126-S130 PolarHBondContact O-N 3Å; A126-S130 PolarHBondContact O-OG 3.29Å; E127-S130 PolarHBondContact O-N 2.99Å; E128-S130 PolarHBondContact O-N 2.63Å
131K97.1Very high97.5Very high157 Ų15767.6 Ų67.668%0.68333%0.329SS*.Hα-helixtrans-91.3-36.6-175.5-67.1-174.5178.41780113.6E127 E128E127-K131 HydrophobicContact CG-CD 3.78Å; E127-K131 HydrophobicContact CG-CG 4.32Å; E127-K131 WeakPolarHBondContact O-CB 3.47Å; E127-K131 WeakPolarHBondContact O-CG 3.42Å; E127-K131 PolarHBondContact O-N 3.35Å; E127-K131 WeakPolarHBondContact OE1-CE 2.93Å; E127-K131 IonicContact OE1-NZ 2.79Å; E127-K131 PolarHBondContact OE1-NZ 3.36Å; E128-K131 PolarHBondContact O-N 2.77Å
132D96.9Very high97.5Very high72 Ų7269.2 Ų69.239%0.38534%0.335SS..  trans-140.775.3-178.2-168.8-13.1000111.3E128 K134 K135 F136E128-D132 CarbonylContact O-C 3.58Å; E128-D132 WeakPolarHBondContact O-CA 3.44Å; E128-D132 PolarHBondContact O-N 3.28Å; E128-D132 VanDerWaalsContact O-O 3.14Å; D132-K134 PolarHBondContact O-N 3.09Å; D132-K134 PolarHBondContact OD1-N 3.02Å; D132-K135 HydrophobicContact CB-CB 4.04Å; D132-K135 PolarHBondContact O-N 2.88Å; D132-K135 WeakPolarHBondContact OD1-CB 3.44Å; D132-K135 PolarHBondContact OD1-N 2.8Å; D132-K135 VanDerWaalsContact OD2-CB 3.27Å; D132-K135 WeakPolarHBondContact OD2-CB 3.36Å; D132-F136 PolarHBondContact O-N 2.87Å
133R95.6Very high97.5Very high116 Ų11670.1 Ų70.144%0.43834%0.34SS..Hα-helixtrans-53.2-36.9177.9-166.870.2160.5-142.65.5112.9Y129 F137Y129-R133 VanDerWaalsContact CZ-NH2 3.28Å; Y129-R133 WeakPolarHBondContact O-CD 3.43Å; Y129-R133 PolarHBondContact OH-NH1 2.94Å; Y129-R133 VanDerWaalsContact OH-NH1 3.12Å; Y129-R133 PolarHBondContact OH-NH2 3.4Å; R133-F137 HydrophobicContact CG-CD2 3.95Å; R133-F137 HydrophobicContact CG-CE2 3.94Å; R133-F137 WeakPolarHBondContact O-CB 3.48Å; R133-F137 WeakPolarHBondContact O-CD2 3.35Å; R133-F137 PolarHBondContact O-N 2.93Å
134K97.5Very high97.6Very high181 Ų18166.9 Ų66.979%0.78731%0.313SS*.Hα-helixtrans-67.9-45.7-178-70.1-177.5-179.7177.90110.7D132 F137 K138D132-K134 PolarHBondContact O-N 3.09Å; D132-K134 PolarHBondContact OD1-N 3.02Å; K134-F137 PolarHBondContact O-N 2.79Å; K134-K138 PolarHBondContact O-N 3.37Å
135K97.8Very high97.6Very high108 Ų10868.8 Ų68.847%0.4732%0.317SS..Hα-helixtrans-63.4-45.1175.8-174.6-178.9178.1-124.70111.4E128 D132 F137 K138 N139E128-K135 VanDerWaalsContact OE1-CD 3.23Å; E128-K135 WeakPolarHBondContact OE1-CD 3.26Å; E128-K135 WeakPolarHBondContact OE1-CE 3.42Å; E128-K135 WeakPolarHBondContact OE1-CG 3.35Å; E128-K135 IonicContact OE1-NZ 3.87Å; E128-K135 PolarHBondContact OE1-NZ 3.44Å; D132-K135 HydrophobicContact CB-CB 4.04Å; D132-K135 PolarHBondContact O-N 2.88Å; D132-K135 WeakPolarHBondContact OD1-CB 3.44Å; D132-K135 PolarHBondContact OD1-N 2.8Å; D132-K135 VanDerWaalsContact OD2-CB 3.27Å; D132-K135 WeakPolarHBondContact OD2-CB 3.36Å; K135-F137 PolarHBondContact O-N 3.29Å; K135-K138 PolarHBondContact O-N 3.33Å; K135-N139 WeakPolarHBondContact O-CB 3.24Å; K135-N139 VanDerWaalsContact O-CG 3.22Å; K135-N139 PolarHBondContact O-N 3.16Å; K135-N139 PolarHBondContact O-ND2 2.83Å
136F98.2Very high97.6Very high0 Ų076.5 Ų76.50%035%0.35CS..Hα-helixtrans-55.6-51174.8179.2-86.6000111.6P45 Y46 Y75 L125 E128 Y129 D132 K138 N139 A140P45-F136 HydrophobicContact CG-CE1 4.19Å; Y46-F136 WeakPolarHBondContact OH-CZ 3.35Å; Y75-F136 HydrophobicContact CD1-CD2 4.31Å; Y75-F136 AromaticContact CD1-CE2 3.84Å; Y75-F136 HydrophobicContact CD1-CE2 3.84Å; Y75-F136 HydrophobicContact CD1-CZ 4.19Å; Y75-F136 AromaticContact CE1-CD2 3.81Å; Y75-F136 HydrophobicContact CE1-CD2 3.81Å; Y75-F136 AromaticContact CE1-CE2 3.74Å; Y75-F136 HydrophobicContact CE1-CE2 3.74Å; Y75-F136 HydrophobicContact CE1-CZ 4.49Å; L125-F136 HydrophobicContact CB-CE2 4.26Å; E128-F136 HydrophobicContact CG-CB 4.16Å; Y129-F136 AromaticContact CD2-CD1 3.57Å; Y129-F136 HydrophobicContact CD2-CD1 3.57Å; Y129-F136 HydrophobicContact CD2-CD2 4.3Å; Y129-F136 AromaticContact CD2-CE1 3.64Å; Y129-F136 HydrophobicContact CD2-CE1 3.64Å; Y129-F136 HydrophobicContact CD2-CE2 4.36Å; Y129-F136 AromaticContact CD2-CG 3.92Å; Y129-F136 HydrophobicContact CD2-CG 3.92Å; Y129-F136 HydrophobicContact CD2-CZ 4.05Å; Y129-F136 HydrophobicContact CE2-CD1 4.33Å; Y129-F136 HydrophobicContact CE2-CE1 4.16Å; Y129-F136 HydrophobicContact CG-CG 4.49Å; D132-F136 PolarHBondContact O-N 2.87Å; F136-K138 VanDerWaalsContact C-N 3.33Å; F136-K138 PolarHBondContact O-N 3.4Å; F136-N139 PolarHBondContact O-N 3.49Å; F136-A140 HydrophobicContact CD1-CB 4.35Å; F136-A140 HydrophobicContact CE1-CB 4.02Å; F136-A140 HydrophobicContact CZ-CB 4.39Å; F136-A140 VanDerWaalsContact O-CB 3.25Å; F136-A140 WeakPolarHBondContact O-CB 3.1Å; F136-A140 PolarHBondContact O-N 3.38Å
137F97.7Very high97.5Very high62 Ų6279.5 Ų79.527%0.27236%0.364SS..Hα-helixtrans-60.8-43-177.8-91.2-121.4000111.5P44 P45 Y129 R133 K134 K135 A140 E141P44-F137 HydrophobicContact CB-CD1 4.46Å; P44-F137 HydrophobicContact CB-CE1 4.29Å; P44-F137 WeakPolarHBondContact O-CE1 3.32Å; P45-F137 HydrophobicContact CB-CB 4.44Å; P45-F137 HydrophobicContact CB-CD1 4.15Å; P45-F137 HydrophobicContact CB-CG 4.29Å; P45-F137 WeakPolarHBondContact CB-O 3.23Å; P45-F137 HydrophobicContact CG-CD1 4.43Å; P45-F137 HydrophobicContact CG-CG 4.43Å; Y129-F137 HydrophobicContact CE2-CE2 4.19Å; R133-F137 HydrophobicContact CG-CD2 3.95Å; R133-F137 HydrophobicContact CG-CE2 3.94Å; R133-F137 WeakPolarHBondContact O-CB 3.48Å; R133-F137 WeakPolarHBondContact O-CD2 3.35Å; R133-F137 PolarHBondContact O-N 2.93Å; K134-F137 PolarHBondContact O-N 2.79Å; K135-F137 PolarHBondContact O-N 3.29Å; F137-A140 PolarHBondContact O-N 3.24Å; F137-E141 VanDerWaalsContact O-CB 3.28Å; F137-E141 WeakPolarHBondContact O-CB 3.4Å; F137-E141 PolarHBondContact O-N 2.69Å
138K98.1Very high97.5Very high126 Ų12675.6 Ų75.655%0.54835%0.351SS..Hα-helixtrans-60-50.8175.3-178.1-176.6172.9-175.70111.6K134 K135 F136 A140 E141 E142K134-K138 PolarHBondContact O-N 3.37Å; K135-K138 PolarHBondContact O-N 3.33Å; F136-K138 VanDerWaalsContact C-N 3.33Å; F136-K138 PolarHBondContact O-N 3.4Å; K138-A140 PolarHBondContact O-N 3.35Å; K138-E141 PolarHBondContact O-N 2.89Å; K138-E142 WeakPolarHBondContact CE-OE1 3.3Å; K138-E142 WeakPolarHBondContact O-CG 3.34Å; K138-E142 PolarHBondContact O-N 3.09Å
139N98.1Very high97.4Very high44 Ų4477.5 Ų77.524%0.23536%0.36CS..Hα-helixtrans-61.2-46.1-179.7-68.3-16.1000111.3Y75 E128 K135 F136 E141 E142 F143Y75-N139 HydrophobicContact CE1-CB 3.94Å; E128-N139 PolarHBondContact OE1-ND2 3.11Å; E128-N139 VanDerWaalsContact OE1-ND2 3.11Å; E128-N139 PolarHBondContact OE2-ND2 3.36Å; E128-N139 VanDerWaalsContact OE2-ND2 3.11Å; K135-N139 WeakPolarHBondContact O-CB 3.24Å; K135-N139 VanDerWaalsContact O-CG 3.22Å; K135-N139 PolarHBondContact O-N 3.16Å; K135-N139 PolarHBondContact O-ND2 2.83Å; F136-N139 PolarHBondContact O-N 3.49Å; N139-E141 PolarHBondContact O-N 2.9Å; N139-E142 PolarHBondContact O-N 3.16Å; N139-F143 WeakPolarHBondContact O-CB 3.39Å; N139-F143 PolarHBondContact O-N 3.24Å
140A98.1Very high97.3Very high0 Ų086.2 Ų86.20%040%0.398CS..Hα-helixtrans-64.6-38.4-18000000112.2P45 Y46 Y75 F136 F137 K138 T144P45-A140 HydrophobicContact CB-CB 3.63Å; P45-A140 HydrophobicContact CG-CB 3.38Å; Y46-A140 HydrophobicContact CE1-CB 4.12Å; Y75-A140 HydrophobicContact CD1-CB 3.82Å; Y75-A140 HydrophobicContact CG-CB 4.46Å; F136-A140 HydrophobicContact CD1-CB 4.35Å; F136-A140 HydrophobicContact CE1-CB 4.02Å; F136-A140 HydrophobicContact CZ-CB 4.39Å; F136-A140 VanDerWaalsContact O-CB 3.25Å; F136-A140 WeakPolarHBondContact O-CB 3.1Å; F136-A140 PolarHBondContact O-N 3.38Å; F137-A140 PolarHBondContact O-N 3.24Å; K138-A140 PolarHBondContact O-N 3.35Å; A140-T144 VanDerWaalsContact O-CB 3.27Å; A140-T144 WeakPolarHBondContact O-CB 3.34Å; A140-T144 PolarHBondContact O-N 3.47Å; A140-T144 PolarHBondContact O-OG1 2.96Å
141E97.8Very high97.1Very high60 Ų6086.4 Ų86.428%0.2839%0.386SS..Hα-helixtrans-67.7-47.2176-171.6-172.6145.200111.3P45 K48 F137 K138 N139 F143 T144 K145P45-E141 HydrophobicContact CB-CB 4.34Å; K48-E141 HydrophobicContact CG-CG 4.14Å; F137-E141 VanDerWaalsContact O-CB 3.28Å; F137-E141 WeakPolarHBondContact O-CB 3.4Å; F137-E141 PolarHBondContact O-N 2.69Å; K138-E141 PolarHBondContact O-N 2.89Å; N139-E141 PolarHBondContact O-N 2.9Å; E141-F143 VanDerWaalsContact C-N 3.3Å; E141-F143 PolarHBondContact O-N 3.38Å; E141-T144 PolarHBondContact O-N 3.48Å; E141-K145 HydrophobicContact CG-CD 4.41Å; E141-K145 WeakPolarHBondContact O-CG 3.32Å; E141-K145 PolarHBondContact O-N 3.23Å; E141-K145 VanDerWaalsContact OE1-CE 3.31Å; E141-K145 WeakPolarHBondContact OE1-CE 3.28Å; E141-K145 IonicContact OE1-NZ 2.63Å; E141-K145 PolarHBondContact OE1-NZ 3.4Å
142E98.1Very high96.7Very high107 Ų10780.7 Ų80.750%0.537%0.365SS..Hα-helixtrans-60.5-41.8175.9-73.7179.3-170.300111.4K138 N139 K145 K146K138-E142 WeakPolarHBondContact CE-OE1 3.3Å; K138-E142 WeakPolarHBondContact O-CG 3.34Å; K138-E142 PolarHBondContact O-N 3.09Å; N139-E142 PolarHBondContact O-N 3.16Å; E142-K145 PolarHBondContact O-N 3.16Å; E142-K146 WeakPolarHBondContact O-CB 3.2Å; E142-K146 PolarHBondContact O-N 2.66Å
143F98.3Very high95.6Very high53 Ų5384 Ų8423%0.23239%0.388CS..Hα-helixtrans-64.7-42.5176.3-162.9-84.4000111.6K73 Y75 N139 E141 K146 H147K73-F143 HydrophobicContact CB-CE1 3.74Å; K73-F143 HydrophobicContact CB-CZ 3.95Å; Y75-F143 HydrophobicContact CD2-CB 4.48Å; Y75-F143 HydrophobicContact CD2-CD2 4.09Å; Y75-F143 HydrophobicContact CD2-CG 4.26Å; Y75-F143 HydrophobicContact CG-CB 4.39Å; Y75-F143 HydrophobicContact CG-CG 4.42Å; N139-F143 WeakPolarHBondContact O-CB 3.39Å; N139-F143 PolarHBondContact O-N 3.24Å; E141-F143 VanDerWaalsContact C-N 3.3Å; E141-F143 PolarHBondContact O-N 3.38Å; F143-K146 PolarHBondContact O-N 2.87Å; F143-H147 HydrophobicContact CD1-CB 4.27Å; F143-H147 AromaticContact CD1-CD2 3.82Å; F143-H147 AromaticContact CD2-CD2 3.74Å; F143-H147 HydrophobicContact CE1-CB 4.01Å; F143-H147 AromaticContact CE1-CD2 3.61Å; F143-H147 AromaticContact CE2-CD2 3.54Å; F143-H147 AromaticContact CE2-NE2 3.91Å; F143-H147 AromaticContact CG-CD2 3.89Å; F143-H147 AromaticContact CZ-CD2 3.47Å; F143-H147 VanDerWaalsContact CZ-CD2 3.47Å; F143-H147 WeakPolarHBondContact CZ-CD2 3.29Å; F143-H147 WeakPolarHBondContact O-CB 3.29Å; F143-H147 PolarHBondContact O-N 3.12Å
144T98Very high93.9Very high1 Ų187.4 Ų87.41%0.00642%0.415CS..Hα-helixtrans-61.9-43.7176-62.80000111.2K48 F51 A140 E141 K146 G148K48-T144 HydrophobicContact CB-CG2 4.46Å; F51-T144 HydrophobicContact CE2-CG2 4.37Å; F51-T144 HydrophobicContact CZ-CG2 3.78Å; A140-T144 VanDerWaalsContact O-CB 3.27Å; A140-T144 WeakPolarHBondContact O-CB 3.34Å; A140-T144 PolarHBondContact O-N 3.47Å; A140-T144 PolarHBondContact O-OG1 2.96Å; E141-T144 PolarHBondContact O-N 3.48Å; T144-K146 VanDerWaalsContact C-N 3.29Å; T144-K146 PolarHBondContact O-N 2.98Å; T144-G148 WeakPolarHBondContact O-CA 3.29Å; T144-G148 PolarHBondContact O-N 2.77Å
145K96.7Very high93.8Very high131 Ų13182.8 Ų82.857%0.5740%0.396SS*.Hα-helixtrans-62.9-34.8175.7-75.1169.4170.9168.70112.8K48 E141 E142K48-K145 HydrophobicContact CB-CG 4.26Å; E141-K145 HydrophobicContact CG-CD 4.41Å; E141-K145 WeakPolarHBondContact O-CG 3.32Å; E141-K145 PolarHBondContact O-N 3.23Å; E141-K145 VanDerWaalsContact OE1-CE 3.31Å; E141-K145 WeakPolarHBondContact OE1-CE 3.28Å; E141-K145 IonicContact OE1-NZ 2.63Å; E141-K145 PolarHBondContact OE1-NZ 3.4Å; E142-K145 PolarHBondContact O-N 3.16Å
146K97.7Very high93.6Very high163 Ų16381.4 Ų81.471%0.70939%0.393SS*.Hα-helixtrans-81.7-38.2-176.8-174.5176.7177-178.60113.6E142 F143 T144E142-K146 WeakPolarHBondContact O-CB 3.2Å; E142-K146 PolarHBondContact O-N 2.66Å; F143-K146 PolarHBondContact O-N 2.87Å; T144-K146 VanDerWaalsContact C-N 3.29Å; T144-K146 PolarHBondContact O-N 2.98Å
147H97.4Very high93.3Very high68 Ų6885.9 Ų85.932%0.31541%0.414SS..Hα-helixtrans-119.6-20.1-169.2-64.3-63.1000114.5T72 K73 F143T72-H147 WeakPolarHBondContact CG2-O 3.44Å; K73-H147 HydrophobicContact CB-CB 4.26Å; F143-H147 HydrophobicContact CD1-CB 4.27Å; F143-H147 AromaticContact CD1-CD2 3.82Å; F143-H147 AromaticContact CD2-CD2 3.74Å; F143-H147 HydrophobicContact CE1-CB 4.01Å; F143-H147 AromaticContact CE1-CD2 3.61Å; F143-H147 AromaticContact CE2-CD2 3.54Å; F143-H147 AromaticContact CE2-NE2 3.91Å; F143-H147 AromaticContact CG-CD2 3.89Å; F143-H147 AromaticContact CZ-CD2 3.47Å; F143-H147 VanDerWaalsContact CZ-CD2 3.47Å; F143-H147 WeakPolarHBondContact CZ-CD2 3.29Å; F143-H147 WeakPolarHBondContact O-CB 3.29Å; F143-H147 PolarHBondContact O-N 3.12Å
148G96.6Very high93Very high21 Ų2187.4 Ų87.422%0.21642%0.423CS..SBendtrans-63.1150.7176.900000111.6T144T144-G148 WeakPolarHBondContact O-CA 3.29Å; T144-G148 PolarHBondContact O-N 2.77Å
149E96.5Very high92.7Very high63 Ų6384.9 Ų84.929%0.29442%0.415SS..BIsolated β-bridgetrans-74.4157.9170-68.1-160.2-155.800110.9L38 A50 R52 T72 R151L38-E149 HydrophobicContact CD1-CB 3.97Å; L38-E149 HydrophobicContact CD1-CG 4.31Å; A50-E149 PolarHBondContact N-O 3.31Å; A50-E149 PolarHBondContact O-N 2.77Å; R52-E149 VanDerWaalsContact CB-OE1 3.28Å; R52-E149 WeakPolarHBondContact CB-OE1 3.39Å; R52-E149 IonicContact CZ-OE1 3.59Å; R52-E149 IonicContact CZ-OE2 3.86Å; R52-E149 IonicContact NE-OE1 3.81Å; R52-E149 PolarHBondContact NE-OE1 3.09Å; R52-E149 IonicContact NE-OE2 3.73Å; R52-E149 IonicContact NH2-OE1 2.77Å; R52-E149 IonicContact NH2-OE2 2.97Å; R52-E149 PolarHBondContact NH2-OE2 2.87Å; T72-E149 HydrophobicContact CG2-CG 4.38Å; E149-R151 PolarHBondContact O-N 3.18Å
150K94.1Very high92.4Very high199 Ų19987.7 Ų87.787%0.86543%0.427SS*.PPolyproline II helixtrans-61.7130.7172.7-68.2-176.4179.6-179.90108.9
151R93Very high92Very high82 Ų8293.9 Ų93.931%0.30946%0.457SS..PPolyproline II helixtrans-60.1138.4171.8-64.2177.372.491.8-13.2108.7V40 P41 D47 G49 A50 E149 V153V40-R151 VanDerWaalsContact CG1-NH2 3.33Å; P41-R151 PolarHBondContact O-NH1 3.16Å; P41-R151 PolarHBondContact O-NH2 3.2Å; D47-R151 VanDerWaalsContact O-CD 3.28Å; D47-R151 WeakPolarHBondContact O-CD 3.32Å; D47-R151 PolarHBondContact O-NE 3.31Å; D47-R151 PolarHBondContact O-NH1 3.47Å; G49-R151 WeakPolarHBondContact O-CG 3.45Å; G49-R151 PolarHBondContact O-NH1 3.15Å; A50-R151 HydrophobicContact CB-CG 4.3Å; E149-R151 PolarHBondContact O-N 3.18Å; R151-V153 PolarHBondContact O-N 3.48Å
152P88Confident91.5Very high37 Ų3796.5 Ų96.524%0.2447%0.471CS..PPolyproline II helixtrans-56.9127.2169.7-18.631000108.4R23 L38 V40 D154R23-P152 HydrophobicContact CB-CG 3.94Å; R23-P152 HydrophobicContact CG-CG 4.3Å; L38-P152 HydrophobicContact CD2-CG 3.8Å; V40-P152 HydrophobicContact CG2-CG 4.18Å; P152-D154 PolarHBondContact O-N 3.15Å
153V73.7Confident91Very high141 Ų14195.7 Ų95.786%0.85547%0.469SS*.  trans-74.8114.8160.4-81.10000105.1R151R151-V153 PolarHBondContact O-N 3.48Å
154D61.6Low90.3Very high189 Ų18999.5 Ų99.5100%1.01149%0.49SS*.  trans-590168-76-32.5000110.3R23 P152R23-D154 IonicContact CZ-OD1 2.69Å; R23-D154 IonicContact NE-OD1 2.7Å; R23-D154 IonicContact NH2-OD1 3.43Å; R23-D154 PolarHBondContact NH2-OD1 2.73Å; P152-D154 PolarHBondContact O-N 3.15Å

Retrieved 154 of 154 residues in 197.2 ms (Link to these results)

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