A0A087X2R7_POEFO Loading...

mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A087X2R7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 196 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
1T52.2Low75.5Confident100 Ų10072.8 Ų72.861%0.61340%0.396SS*.  0-54.9044.50000110.4S3 L4T1-S3 PolarHBondContact O-N 3.36Å; T1-L4 VanDerWaalsContact O-CB 3.32Å; T1-L4 WeakPolarHBondContact O-CB 3.49Å; T1-L4 PolarHBondContact O-N 3.18Å; T1-L4 VanDerWaalsContact O-N 3.12Å
2A52.9Low77.4Confident27 Ų2767 Ų6722%0.22337%0.365CS..Hα-helixtrans-52.1-43.9174.400000115.2L4 L5 I19 F28A2-L4 VanDerWaalsContact C-N 3.31Å; A2-L4 PolarHBondContact O-N 3.29Å; A2-L5 PolarHBondContact O-N 3.48Å; A2-I19 HydrophobicContact CB-CD1 3.9Å; A2-I19 WeakPolarHBondContact O-CD1 3.46Å; A2-F28 HydrophobicContact CB-CE1 4.1Å; A2-F28 HydrophobicContact CB-CZ 4.36Å
3S59.3Low78.8Confident85 Ų8562.1 Ų62.159%0.59434%0.338SS*.Hα-helixtrans-71.8-21.8179.674.70000114.4T1 L5 H7T1-S3 PolarHBondContact O-N 3.36Å; S3-L5 VanDerWaalsContact C-N 3.34Å; S3-H7 PolarHBondContact O-CE1 3.12Å; S3-H7 PolarHBondContact O-ND1 2.89Å
4L66.8Low80Confident65 Ų6558.4 Ų58.434%0.3432%0.318SS..Hα-helixtrans-69.2-38.1178.7-165.177.5000110.4T1 A2 H7 I72T1-L4 VanDerWaalsContact O-CB 3.32Å; T1-L4 WeakPolarHBondContact O-CB 3.49Å; T1-L4 PolarHBondContact O-N 3.18Å; T1-L4 VanDerWaalsContact O-N 3.12Å; A2-L4 VanDerWaalsContact C-N 3.31Å; A2-L4 PolarHBondContact O-N 3.29Å; L4-H7 PolarHBondContact O-N 2.86Å; L4-I72 HydrophobicContact CD1-CD1 4.23Å; L4-I72 HydrophobicContact CD2-CD1 3.58Å; L4-I72 HydrophobicContact CD2-CG1 3.82Å; L4-I72 HydrophobicContact CG-CD1 3.77Å; L4-I72 HydrophobicContact CG-CG1 4.44Å
5L68.6Low80.8Confident24 Ų2458.4 Ų58.413%0.12632%0.317CS..Hα-helixtrans-68.9-34.3-178-57.9-178.5000112.7A2 S3 H7 L8 L16 F95A2-L5 PolarHBondContact O-N 3.48Å; S3-L5 VanDerWaalsContact C-N 3.34Å; L5-H7 PolarHBondContact O-N 3.04Å; L5-L8 HydrophobicContact CD2-CD1 3.89Å; L5-L8 PolarHBondContact O-N 3.39Å; L5-L8 VanDerWaalsContact O-N 3.08Å; L5-L16 HydrophobicContact CB-CD2 3.7Å; L5-F95 HydrophobicContact CD1-CB 4.03Å; L5-F95 HydrophobicContact CD2-CB 3.29Å; L5-F95 HydrophobicContact CD2-CD1 4.16Å; L5-F95 HydrophobicContact CD2-CD2 4.1Å; L5-F95 HydrophobicContact CD2-CG 3.6Å; L5-F95 HydrophobicContact CG-CB 4.3Å
6K74Confident81.4Confident92 Ų9255.5 Ų55.540%0.430%0.302SS..THydrogen-bonded Turntrans-58.1-21.9176.3-75.9-164.4170.5-166.20113.6L16 D18 I19K6-L16 HydrophobicContact CG-CD2 4.03Å; K6-D18 IonicContact NZ-OD1 3.08Å; K6-I19 HydrophobicContact CD-CD1 4.23Å; K6-I19 VanDerWaalsContact CE-CG1 3.46Å; K6-I19 HydrophobicContact CG-CD1 4.02Å; K6-I19 HydrophobicContact CG-CG1 4.46Å
7H83Confident81.9Confident142 Ų14258.9 Ų58.966%0.65732%0.315SS*.THydrogen-bonded Turntrans-100.3-1.5-177.6-59.994.6000113.6S3 L4 L5 K9S3-H7 PolarHBondContact O-CE1 3.12Å; S3-H7 PolarHBondContact O-ND1 2.89Å; L4-H7 PolarHBondContact O-N 2.86Å; L5-H7 PolarHBondContact O-N 3.04Å; H7-K9 PolarHBondContact O-N 3.33Å
8L88.9Confident82.4Confident8 Ų859.9 Ų59.94%0.04232%0.32CS..  trans-83.7103.2176-56.9-177.2000109.4L5 I13 Y66 I72 F95L5-L8 HydrophobicContact CD2-CD1 3.89Å; L5-L8 PolarHBondContact O-N 3.39Å; L5-L8 VanDerWaalsContact O-N 3.08Å; L8-I13 HydrophobicContact CB-CG2 4.28Å; L8-Y66 HydrophobicContact CB-CE1 4.39Å; L8-Y66 HydrophobicContact CD2-CE1 3.93Å; L8-I72 HydrophobicContact CD1-CD1 4.31Å; L8-I72 HydrophobicContact CD2-CD1 3.64Å; L8-I72 HydrophobicContact CG-CD1 4.49Å; L8-F95 HydrophobicContact CD1-CD1 4.27Å; L8-F95 HydrophobicContact CD1-CE1 4.02Å; L8-F95 HydrophobicContact CD1-CZ 4.17Å
9K92.3Very high82.7Confident156 Ų15658.4 Ų58.468%0.67831%0.311SS*.  trans-122.8101.8176-62.7-173.6-179.2-175.30109.1H7 L15 Y66H7-K9 PolarHBondContact O-N 3.33Å; K9-L15 HydrophobicContact CG-CD1 4.46Å; K9-Y66 PolarHBondContact N-OH 2.84Å; K9-Y66 WeakPolarHBondContact O-CE2 3.32Å; K9-Y66 PolarHBondContact O-OH 3.33Å
10H96.3Very high83Confident43 Ų4359.6 Ų59.620%0.19932%0.317CS..  trans-151.7144.9178.9-176.6-97.1000109.3N12 I13 Y66H10-N12 PolarHBondContact CE1-OD1 3.29Å; H10-N12 PolarHBondContact ND1-N 3.01Å; H10-N12 VanDerWaalsContact ND1-N 3.11Å; H10-N12 PolarHBondContact O-N 3.27Å; H10-N12 VanDerWaalsContact O-N 3.17Å; H10-I13 HydrophobicContact CB-CB 4.18Å; H10-I13 HydrophobicContact CB-CD1 3.83Å; H10-I13 HydrophobicContact CB-CG1 3.97Å; H10-I13 PolarHBondContact O-N 3.09Å; H10-I13 VanDerWaalsContact O-N 3.08Å; H10-Y66 HydrophobicContact CB-CD1 3.97Å; H10-Y66 HydrophobicContact CB-CD2 3.86Å; H10-Y66 HydrophobicContact CB-CE1 4.08Å; H10-Y66 HydrophobicContact CB-CE2 3.95Å; H10-Y66 HydrophobicContact CB-CG 3.88Å; H10-Y66 AromaticContact CD2-CD2 3.53Å; H10-Y66 AromaticContact CD2-CG 3.86Å; H10-Y66 AromaticContact CG-CD2 3.88Å; H10-Y66 AromaticContact CG-CG 3.87Å
11A96.9Very high83.3Confident59 Ų5963.7 Ų63.749%0.48833%0.334SS..THydrogen-bonded Turntrans-55.8-37.3-176.300000113.1K91A11-K91 WeakPolarHBondContact O-CG 3.43Å; A11-K91 PolarHBondContact O-NZ 3.02Å; A11-K91 VanDerWaalsContact O-NZ 3.07Å
12N97.9Very high85.2Confident3 Ų361.9 Ų61.92%0.01632%0.323CS..THydrogen-bonded Turntrans-97.923.7-178.9-53.3112.4000114H10 Q59 R62 A63 L90 L92H10-N12 PolarHBondContact CE1-OD1 3.29Å; H10-N12 PolarHBondContact ND1-N 3.01Å; H10-N12 VanDerWaalsContact ND1-N 3.11Å; H10-N12 PolarHBondContact O-N 3.27Å; H10-N12 VanDerWaalsContact O-N 3.17Å; N12-Q59 WeakPolarHBondContact CB-O 3.39Å; N12-Q59 WeakPolarHBondContact ND2-CB 3.48Å; N12-Q59 WeakPolarHBondContact ND2-CG 3.33Å; N12-Q59 PolarHBondContact ND2-OE1 3.28Å; N12-R62 PolarHBondContact OD1-NH1 2.92Å; N12-A63 HydrophobicContact CB-CB 3.94Å; N12-A63 VanDerWaalsContact O-CB 3.23Å; N12-A63 WeakPolarHBondContact O-CB 3.25Å; N12-L90 WeakPolarHBondContact CA-O 3.47Å; N12-L90 WeakPolarHBondContact CB-O 3.31Å; N12-L90 PolarHBondContact ND2-O 2.94Å; N12-L92 PolarHBondContact O-N 3.14Å
13I96Very high87Confident3 Ų372.9 Ų72.92%0.01536%0.359CS..BIsolated β-bridgetrans-126.1135.3171.9-65.1178000107.5L8 H10 L15 A63 Y66 I67 F95L8-I13 HydrophobicContact CB-CG2 4.28Å; H10-I13 HydrophobicContact CB-CB 4.18Å; H10-I13 HydrophobicContact CB-CD1 3.83Å; H10-I13 HydrophobicContact CB-CG1 3.97Å; H10-I13 PolarHBondContact O-N 3.09Å; H10-I13 VanDerWaalsContact O-N 3.08Å; I13-L15 PolarHBondContact O-N 2.99Å; I13-A63 HydrophobicContact CG1-CB 4.13Å; I13-Y66 HydrophobicContact CD1-CD1 3.31Å; I13-Y66 HydrophobicContact CD1-CE1 3.77Å; I13-Y66 HydrophobicContact CD1-CG 4.18Å; I13-I67 HydrophobicContact CD1-CG2 3.44Å; I13-I67 VanDerWaalsContact CD1-CG2 3.44Å; I13-F95 HydrophobicContact CG2-CE2 3.71Å; I13-F95 HydrophobicContact CG2-CZ 3.81Å
14V94.5Very high88.6Confident10 Ų1077.6 Ų77.66%0.06137%0.371CS..  trans-62123.6175.8177.50000109.8L16 F30 E31 L83 K91 L92 A93V14-L16 PolarHBondContact O-N 3Å; V14-F30 HydrophobicContact CG1-CB 3.85Å; V14-F30 HydrophobicContact CG1-CD1 3.77Å; V14-F30 HydrophobicContact CG1-CG 4.13Å; V14-E31 WeakPolarHBondContact CA-OE1 3.32Å; V14-E31 HydrophobicContact CG1-CG 3.83Å; V14-L83 HydrophobicContact CG2-CD1 3.7Å; V14-L83 HydrophobicContact CG2-CG 4.29Å; V14-K91 HydrophobicContact CG2-CB 3.78Å; V14-L92 PolarHBondContact N-O 3.45Å; V14-A93 HydrophobicContact CB-CB 4.29Å; V14-A93 HydrophobicContact CG2-CB 3.57Å
15L92.3Very high89.6Confident59 Ų5977.9 Ų77.931%0.30938%0.376SS..  trans-73.8124.1-179.6-176.960.9000110.9K9 I13 H17 F30 E31K9-L15 HydrophobicContact CG-CD1 4.46Å; I13-L15 PolarHBondContact O-N 2.99Å; L15-H17 VanDerWaalsContact CD2-CE1 3.46Å; L15-H17 WeakPolarHBondContact CD2-CE1 3.47Å; L15-F30 CarbonylContact O-C 3.49Å; L15-F30 VanDerWaalsContact O-CA 3.29Å; L15-F30 WeakPolarHBondContact O-CA 3.49Å; L15-E31 HydrophobicContact CB-CB 4.29Å; L15-E31 HydrophobicContact CB-CG 4.07Å; L15-E31 WeakPolarHBondContact CB-OE1 3.49Å; L15-E31 PolarHBondContact N-OE1 3.4Å; L15-E31 PolarHBondContact O-N 2.88Å
16L91Very high90.3Very high12 Ų1280.8 Ų80.86%0.06339%0.391CS..EExtended strand (participates in β ladder)trans-84.9109.5166.5-179.565.3000109L5 K6 V14 D18 I19 F28 F30L5-L16 HydrophobicContact CB-CD2 3.7Å; K6-L16 HydrophobicContact CG-CD2 4.03Å; V14-L16 PolarHBondContact O-N 3Å; L16-D18 WeakPolarHBondContact CD1-O 3.48Å; L16-I19 HydrophobicContact CD1-CG1 4.33Å; L16-I19 HydrophobicContact CD2-CD1 3.82Å; L16-I19 HydrophobicContact CD2-CG1 3.79Å; L16-I19 HydrophobicContact CG-CG1 4.32Å; L16-F28 HydrophobicContact CD1-CB 3.94Å; L16-F28 HydrophobicContact CD1-CD1 4.02Å; L16-F28 HydrophobicContact CD2-CD1 4.32Å; L16-F30 HydrophobicContact CB-CD1 4.01Å; L16-F30 HydrophobicContact CB-CE1 3.85Å; L16-F30 HydrophobicContact CD1-CD1 3.89Å; L16-F30 HydrophobicContact CD1-CD2 4.43Å; L16-F30 HydrophobicContact CD1-CE1 3.63Å; L16-F30 HydrophobicContact CD1-CE2 4.21Å; L16-F30 HydrophobicContact CD1-CG 4.3Å; L16-F30 HydrophobicContact CD1-CZ 3.8Å; L16-F30 HydrophobicContact CG-CE1 4.25Å
17H90.3Very high90.9Very high114 Ų11479.5 Ų79.553%0.52839%0.391SS..EExtended strand (participates in β ladder)trans-75.3-48.4177.7-70-59.3000111.8L15 V29 E31L15-H17 VanDerWaalsContact CD2-CE1 3.46Å; L15-H17 WeakPolarHBondContact CD2-CE1 3.47Å; H17-V29 WeakPolarHBondContact CA-O 3.49Å; H17-V29 HydrophobicContact CB-CG1 4.28Å; H17-V29 WeakPolarHBondContact CB-O 3.46Å; H17-V29 PolarHBondContact N-O 3.33Å; H17-E31 PolarHBondContact CD2-N 3Å
18D89.3Confident91.1Very high76 Ų7676.4 Ų76.441%0.40638%0.376SS..EExtended strand (participates in β ladder)trans-153.2163.8-178.6-1521.6000113.8K6 L16 V29K6-D18 IonicContact NZ-OD1 3.08Å; L16-D18 WeakPolarHBondContact CD1-O 3.48Å; D18-V29 HydrophobicContact CB-CB 4.33Å; D18-V29 HydrophobicContact CB-CG2 4.47Å; D18-V29 PolarHBondContact N-O 3.2Å; D18-V29 PolarHBondContact O-N 3.33Å
19I88.5Confident91.2Very high31 Ų3178.7 Ų78.716%0.15939%0.39CS..EExtended strand (participates in β ladder)trans-126.2110.9172.8-55.1-180000107.3A2 K6 L16 L26 T27 F28A2-I19 HydrophobicContact CB-CD1 3.9Å; A2-I19 WeakPolarHBondContact O-CD1 3.46Å; K6-I19 HydrophobicContact CD-CD1 4.23Å; K6-I19 VanDerWaalsContact CE-CG1 3.46Å; K6-I19 HydrophobicContact CG-CD1 4.02Å; K6-I19 HydrophobicContact CG-CG1 4.46Å; L16-I19 HydrophobicContact CD1-CG1 4.33Å; L16-I19 HydrophobicContact CD2-CD1 3.82Å; L16-I19 HydrophobicContact CD2-CG1 3.79Å; L16-I19 HydrophobicContact CG-CG1 4.32Å; I19-L26 HydrophobicContact CG2-CD1 3.61Å; I19-L26 HydrophobicContact CG2-CG 4.24Å; I19-T27 CarbonylContact C-O 3.59Å; I19-T27 WeakPolarHBondContact CA-O 3.46Å; I19-F28 HydrophobicContact CD1-CD1 4.21Å; I19-F28 HydrophobicContact CD1-CE1 3.98Å; I19-F28 HydrophobicContact CG1-CD1 4Å; I19-F28 HydrophobicContact CG1-CE1 4.23Å; I19-F28 HydrophobicContact CG2-CD1 4.5Å; I19-F28 HydrophobicContact CG2-CE1 4.36Å
20I89.2Confident91.2Very high83 Ų8375.5 Ų75.543%0.42638%0.377SS..EExtended strand (participates in β ladder)trans-96.4118.4178.3-55.7170.5000107.3T22 T27 V29I20-T22 HydrophobicContact CG2-CG2 4.46Å; I20-T27 PolarHBondContact N-O 2.94Å; I20-T27 PolarHBondContact O-N 3.08Å; I20-V29 HydrophobicContact CD1-CG2 3.93Å; I20-V29 HydrophobicContact CG1-CG2 4.35Å
21H89.3Confident91Very high146 Ų14675.6 Ų75.668%0.67638%0.377SS*.EExtended strand (participates in β ladder)trans-109.8119.2177.9-17544.1000109.9L26H21-L26 HydrophobicContact CB-CD1 3.89Å
22T92.3Very high90.9Very high62 Ų6281.5 Ų81.538%0.3839%0.388SS..  trans-109.4176.6169.678.40000109.5I20 E24 T25I20-T22 HydrophobicContact CG2-CG2 4.46Å; T22-E24 PolarHBondContact O-N 3.28Å; T22-E24 PolarHBondContact OG1-N 2.77Å; T22-T25 PolarHBondContact N-O 3.11Å; T22-T25 PolarHBondContact OG1-N 3.38Å; T22-T25 PolarHBondContact OG1-O 3.45Å; T22-T25 PolarHBondContact OG1-OG1 2.99Å
23R91Very high90.8Very high257 Ų25782 Ų8297%0.9739%0.391SS*.SBendtrans-62.6-27.1176.1-68.7-176.7-179.1-179.50.3113.1
24E92.6Very high90.8Very high184 Ų18485.7 Ų85.786%0.8641%0.408SS*.SBendtrans-110.1-24.7-171.4-65.2173.1-169.600112.5T22T22-E24 PolarHBondContact O-N 3.28Å; T22-E24 PolarHBondContact OG1-N 2.77Å
25T86.8Confident90.9Very high71 Ų7186.7 Ų86.744%0.43641%0.414SS..  trans-138.6151.8-170.262.40000113.3T22T22-T25 PolarHBondContact N-O 3.11Å; T22-T25 PolarHBondContact OG1-N 3.38Å; T22-T25 PolarHBondContact OG1-O 3.45Å; T22-T25 PolarHBondContact OG1-OG1 2.99Å
26L83.7Confident91.1Very high86 Ų8685.6 Ų85.645%0.4541%0.409SS..EExtended strand (participates in β ladder)trans-119107168.1-171.569.1000108.1I19 H21 F28I19-L26 HydrophobicContact CG2-CD1 3.61Å; I19-L26 HydrophobicContact CG2-CG 4.24Å; H21-L26 HydrophobicContact CB-CD1 3.89Å; L26-F28 HydrophobicContact CD2-CE2 3.78Å; L26-F28 HydrophobicContact CD2-CZ 3.57Å; L26-F28 HydrophobicContact CG-CE2 3.87Å; L26-F28 HydrophobicContact CG-CZ 4Å
27T87Confident91.4Very high65 Ų6585 Ų8540%0.39941%0.406SS..EExtended strand (participates in β ladder)trans-103.7129.6-176.6-56.10000110.1I19 I20I19-T27 CarbonylContact C-O 3.59Å; I19-T27 WeakPolarHBondContact CA-O 3.46Å; I20-T27 PolarHBondContact N-O 2.94Å; I20-T27 PolarHBondContact O-N 3.08Å
28F87.4Confident91.6Very high77 Ų7780.3 Ų80.334%0.33839%0.387SS..EExtended strand (participates in β ladder)trans-104.8125.6176.5-63-95.7000109.4A2 L16 I19 L26 F30A2-F28 HydrophobicContact CB-CE1 4.1Å; A2-F28 HydrophobicContact CB-CZ 4.36Å; L16-F28 HydrophobicContact CD1-CB 3.94Å; L16-F28 HydrophobicContact CD1-CD1 4.02Å; L16-F28 HydrophobicContact CD2-CD1 4.32Å; I19-F28 HydrophobicContact CD1-CD1 4.21Å; I19-F28 HydrophobicContact CD1-CE1 3.98Å; I19-F28 HydrophobicContact CG1-CD1 4Å; I19-F28 HydrophobicContact CG1-CE1 4.23Å; I19-F28 HydrophobicContact CG2-CD1 4.5Å; I19-F28 HydrophobicContact CG2-CE1 4.36Å; L26-F28 HydrophobicContact CD2-CE2 3.78Å; L26-F28 HydrophobicContact CD2-CZ 3.57Å; L26-F28 HydrophobicContact CG-CE2 3.87Å; L26-F28 HydrophobicContact CG-CZ 4Å; F28-F30 HydrophobicContact CB-CD2 4.02Å; F28-F30 HydrophobicContact CB-CE2 3.36Å; F28-F30 HydrophobicContact CB-CZ 3.93Å; F28-F30 HydrophobicContact CG-CE2 4.26Å; F28-F30 HydrophobicContact CG-CZ 4.49Å
29V90.9Very high91.9Very high56 Ų5681.5 Ų81.534%0.33939%0.39SS..EExtended strand (participates in β ladder)trans-103.3108.3-179.7-175.80000108.5H17 D18 I20H17-V29 WeakPolarHBondContact CA-O 3.49Å; H17-V29 HydrophobicContact CB-CG1 4.28Å; H17-V29 WeakPolarHBondContact CB-O 3.46Å; H17-V29 PolarHBondContact N-O 3.33Å; D18-V29 HydrophobicContact CB-CB 4.33Å; D18-V29 HydrophobicContact CB-CG2 4.47Å; D18-V29 PolarHBondContact N-O 3.2Å; D18-V29 PolarHBondContact O-N 3.33Å; I20-V29 HydrophobicContact CD1-CG2 3.93Å; I20-V29 HydrophobicContact CG1-CG2 4.35Å
30F91.5Very high92.2Very high89 Ų8982.3 Ų82.339%0.3939%0.391SS..EExtended strand (participates in β ladder)trans-104.8162.1-179.5-67.1-81.7000112.1V14 L15 L16 F28V14-F30 HydrophobicContact CG1-CB 3.85Å; V14-F30 HydrophobicContact CG1-CD1 3.77Å; V14-F30 HydrophobicContact CG1-CG 4.13Å; L15-F30 CarbonylContact O-C 3.49Å; L15-F30 VanDerWaalsContact O-CA 3.29Å; L15-F30 WeakPolarHBondContact O-CA 3.49Å; L16-F30 HydrophobicContact CB-CD1 4.01Å; L16-F30 HydrophobicContact CB-CE1 3.85Å; L16-F30 HydrophobicContact CD1-CD1 3.89Å; L16-F30 HydrophobicContact CD1-CD2 4.43Å; L16-F30 HydrophobicContact CD1-CE1 3.63Å; L16-F30 HydrophobicContact CD1-CE2 4.21Å; L16-F30 HydrophobicContact CD1-CG 4.3Å; L16-F30 HydrophobicContact CD1-CZ 3.8Å; L16-F30 HydrophobicContact CG-CE1 4.25Å; F28-F30 HydrophobicContact CB-CD2 4.02Å; F28-F30 HydrophobicContact CB-CE2 3.36Å; F28-F30 HydrophobicContact CB-CZ 3.93Å; F28-F30 HydrophobicContact CG-CE2 4.26Å; F28-F30 HydrophobicContact CG-CZ 4.49Å
31E92.7Very high92.6Very high45 Ų4579 Ų7921%0.2137%0.374CS..  trans-59.7144.8163.868.9177.7132.800110.3V14 L15 H17 V33 K91V14-E31 WeakPolarHBondContact CA-OE1 3.32Å; V14-E31 HydrophobicContact CG1-CG 3.83Å; L15-E31 HydrophobicContact CB-CB 4.29Å; L15-E31 HydrophobicContact CB-CG 4.07Å; L15-E31 WeakPolarHBondContact CB-OE1 3.49Å; L15-E31 PolarHBondContact N-OE1 3.4Å; L15-E31 PolarHBondContact O-N 2.88Å; H17-E31 PolarHBondContact CD2-N 3Å; E31-V33 HydrophobicContact CG-CG2 4.24Å; E31-K91 VanDerWaalsContact CD-NZ 3.28Å; E31-K91 IonicContact OE1-NZ 3.51Å; E31-K91 PolarHBondContact OE1-NZ 2.79Å; E31-K91 WeakPolarHBondContact OE2-CE 3.43Å; E31-K91 IonicContact OE2-NZ 2.81Å; E31-K91 PolarHBondContact OE2-NZ 3.45Å
32Y94.1Very high92.8Very high182 Ų18277.2 Ų77.271%0.71437%0.374SS*.  trans-84.4131.8176.2176.2-101.3000110.7Q34Y32-Q34 HydrophobicContact CE1-CG 4.27Å
33V96.1Very high92.8Very high15 Ų1580.2 Ų80.29%0.09138%0.384CS..  trans-130.3138.3174.9-170.60000108E31 T35 L83 I84 K91E31-V33 HydrophobicContact CG-CG2 4.24Å; V33-T35 PolarHBondContact O-N 2.85Å; V33-L83 HydrophobicContact CB-CB 3.68Å; V33-L83 HydrophobicContact CB-CD1 3.84Å; V33-L83 HydrophobicContact CB-CG 4.4Å; V33-L83 HydrophobicContact CG1-CB 3.49Å; V33-L83 VanDerWaalsContact CG1-CB 3.49Å; V33-L83 HydrophobicContact CG2-CB 4.18Å; V33-L83 HydrophobicContact CG2-CD1 4.04Å; V33-I84 WeakPolarHBondContact CG1-O 3.24Å; V33-K91 HydrophobicContact CG2-CD 3.8Å
34Q95.7Very high92.9Very high79 Ų7970.6 Ų70.637%0.36935%0.35SS..SBendtrans-65.9-41.4-159.5-76.172.618.600114.8Y32Y32-Q34 HydrophobicContact CE1-CG 4.27Å
35T96.5Very high92.6Very high31 Ų3167.7 Ų67.719%0.1935%0.347CS..EExtended strand (participates in β ladder)trans-150.4169.3-175.6-165.80000110V33 Q39 L83 I84V33-T35 PolarHBondContact O-N 2.85Å; T35-Q39 WeakPolarHBondContact OG1-CB 3.43Å; T35-Q39 VanDerWaalsContact OG1-CD 3.31Å; T35-Q39 PolarHBondContact OG1-OE1 2.86Å; T35-L83 CarbonylContact O-C 3.44Å; T35-L83 WeakPolarHBondContact O-CA 3.34Å; T35-I84 HydrophobicContact CG2-CB 4.12Å; T35-I84 PolarHBondContact N-O 3.34Å; T35-I84 PolarHBondContact O-N 2.98Å
36D97.3Very high92.9Very high36 Ų3667.3 Ų67.319%0.19336%0.356CS..EExtended strand (participates in β ladder)trans-104.6164.5169.465.968.4000111.5A38 Q39 Y40 L82 L83D36-A38 VanDerWaalsContact C-N 3.27Å; D36-A38 PolarHBondContact O-N 3.3Å; D36-A38 WeakPolarHBondContact OD1-CA 3.29Å; D36-A38 WeakPolarHBondContact OD1-CB 3.37Å; D36-A38 PolarHBondContact OD1-N 2.98Å; D36-Q39 PolarHBondContact O-N 3.4Å; D36-Q39 PolarHBondContact OD1-N 2.87Å; D36-Y40 WeakPolarHBondContact O-CB 3.46Å; D36-Y40 PolarHBondContact O-N 2.91Å; D36-L82 CarbonylContact C-O 3.6Å; D36-L82 WeakPolarHBondContact CA-O 3.1Å; D36-L83 HydrophobicContact CB-CD2 3.81Å
37L97.1Very high93.5Very high0 Ų064 Ų640%034%0.343CS..Hα-helixtrans-64.4-32.1-178.6179.566.1000111.8Y40 M41 L48 F56 P79 L82 I84 I141 M145L37-Y40 HydrophobicContact CD1-CD1 4.38Å; L37-Y40 PolarHBondContact O-N 2.83Å; L37-M41 HydrophobicContact CD1-CG 4Å; L37-M41 HydrophobicContact CD1-SD 4.2Å; L37-M41 HydrophobicContact CG-CE 4.03Å; L37-M41 HydrophobicContact CG-CG 4.26Å; L37-M41 HydrophobicContact CG-SD 4.06Å; L37-M41 WeakPolarHBondContact O-CB 3.48Å; L37-M41 VanDerWaalsContact O-CG 3.26Å; L37-M41 WeakPolarHBondContact O-CG 3.47Å; L37-M41 PolarHBondContact O-N 3.09Å; L37-L48 HydrophobicContact CD1-CD1 4.06Å; L37-F56 HydrophobicContact CD1-CD2 4.25Å; L37-F56 HydrophobicContact CD1-CE2 4.42Å; L37-P79 HydrophobicContact CB-CB 4.12Å; L37-P79 WeakPolarHBondContact CB-O 3.31Å; L37-P79 HydrophobicContact CD2-CB 4.22Å; L37-P79 HydrophobicContact CG-CB 4.17Å; L37-P79 PolarHBondContact N-O 3.29Å; L37-L82 HydrophobicContact CB-CB 3.99Å; L37-L82 HydrophobicContact CD2-CB 4.41Å; L37-L82 HydrophobicContact CD2-CD1 3.8Å; L37-L82 PolarHBondContact N-O 2.96Å; L37-I84 HydrophobicContact CB-CD1 4.09Å; L37-I84 HydrophobicContact CD1-CD1 3.77Å; L37-I141 HydrophobicContact CD2-CG2 3.67Å; L37-M145 HydrophobicContact CD1-CG 4.15Å; L37-M145 HydrophobicContact CD1-SD 4.04Å; L37-M145 HydrophobicContact CD2-CG 3.96Å; L37-M145 HydrophobicContact CD2-SD 3.89Å
38A95Very high94.1Very high15 Ų1561.5 Ų61.512%0.12433%0.327CS..Hα-helixtrans-62.5-51.7178.200000109.8D36 Y40 M41 T42 P79D36-A38 VanDerWaalsContact C-N 3.27Å; D36-A38 PolarHBondContact O-N 3.3Å; D36-A38 WeakPolarHBondContact OD1-CA 3.29Å; D36-A38 WeakPolarHBondContact OD1-CB 3.37Å; D36-A38 PolarHBondContact OD1-N 2.98Å; A38-Y40 VanDerWaalsContact C-N 3.34Å; A38-Y40 PolarHBondContact O-N 3.17Å; A38-M41 PolarHBondContact O-N 3.1Å; A38-T42 WeakPolarHBondContact O-CG2 3.45Å; A38-T42 PolarHBondContact O-N 3.41Å; A38-P79 HydrophobicContact CB-CB 3.84Å
39Q95.5Very high94.5Very high102 Ų10264 Ų6448%0.47734%0.34SS..Hα-helixtrans-61.6-41.9176.1-174-179.811.300111.5T35 D36 M41 T42T35-Q39 WeakPolarHBondContact OG1-CB 3.43Å; T35-Q39 VanDerWaalsContact OG1-CD 3.31Å; T35-Q39 PolarHBondContact OG1-OE1 2.86Å; D36-Q39 PolarHBondContact O-N 3.4Å; D36-Q39 PolarHBondContact OD1-N 2.87Å; Q39-M41 VanDerWaalsContact C-N 3.33Å; Q39-M41 PolarHBondContact O-N 3.11Å; Q39-T42 WeakPolarHBondContact O-CB 3.44Å; Q39-T42 PolarHBondContact O-N 3.08Å; Q39-T42 PolarHBondContact O-OG1 3.04Å
40Y95.6Very high94.8Very high47 Ų4764.8 Ų64.818%0.18435%0.348CS..Hα-helixtrans-61.7-39.7177.9-175.2-103.5000112.6D36 L37 A38 T42 Q43 H44 L48 F56 I84D36-Y40 WeakPolarHBondContact O-CB 3.46Å; D36-Y40 PolarHBondContact O-N 2.91Å; L37-Y40 HydrophobicContact CD1-CD1 4.38Å; L37-Y40 PolarHBondContact O-N 2.83Å; A38-Y40 VanDerWaalsContact C-N 3.34Å; A38-Y40 PolarHBondContact O-N 3.17Å; Y40-T42 VanDerWaalsContact C-N 3.32Å; Y40-T42 PolarHBondContact O-N 3.2Å; Y40-Q43 PolarHBondContact O-N 3.27Å; Y40-H44 AromaticContact CE1-CE1 3.74Å; Y40-H44 AromaticContact CE2-CE1 3.77Å; Y40-H44 AromaticContact CZ-CE1 3.47Å; Y40-H44 VanDerWaalsContact CZ-CE1 3.47Å; Y40-H44 PolarHBondContact O-ND1 2.98Å; Y40-L48 HydrophobicContact CD1-CD1 4.2Å; Y40-L48 HydrophobicContact CD1-CD2 3.84Å; Y40-L48 HydrophobicContact CE1-CD1 4.07Å; Y40-L48 HydrophobicContact CE1-CD2 3.62Å; Y40-L48 HydrophobicContact CE1-CG 4.48Å; Y40-F56 HydrophobicContact CD1-CE2 4.24Å; Y40-F56 AromaticContact CE1-CE2 3.87Å; Y40-F56 HydrophobicContact CE1-CE2 3.87Å; Y40-F56 HydrophobicContact CE1-CZ 4.31Å; Y40-I84 HydrophobicContact CD1-CD1 3.9Å; Y40-I84 HydrophobicContact CD2-CD1 4.49Å; Y40-I84 HydrophobicContact CG-CD1 3.8Å
41M95.9Very high95.1Very high13 Ų1365.3 Ų65.36%0.06435%0.351CS..Hα-helixtrans-69.3-26.1177.8-71.6-175.7-51.800113.1L37 A38 Q39 Q43 H44 L48 P79 E144 M145L37-M41 HydrophobicContact CD1-CG 4Å; L37-M41 HydrophobicContact CD1-SD 4.2Å; L37-M41 HydrophobicContact CG-CE 4.03Å; L37-M41 HydrophobicContact CG-CG 4.26Å; L37-M41 HydrophobicContact CG-SD 4.06Å; L37-M41 WeakPolarHBondContact O-CB 3.48Å; L37-M41 VanDerWaalsContact O-CG 3.26Å; L37-M41 WeakPolarHBondContact O-CG 3.47Å; L37-M41 PolarHBondContact O-N 3.09Å; A38-M41 PolarHBondContact O-N 3.1Å; Q39-M41 VanDerWaalsContact C-N 3.33Å; Q39-M41 PolarHBondContact O-N 3.11Å; M41-Q43 PolarHBondContact O-N 3.17Å; M41-Q43 VanDerWaalsContact O-N 3.1Å; M41-H44 CarbonylContact O-C 3.52Å; M41-H44 PolarHBondContact O-N 3.07Å; M41-L48 HydrophobicContact CG-CD1 4.35Å; M41-L48 HydrophobicContact CG-CD2 4.15Å; M41-L48 HydrophobicContact CG-CG 4.3Å; M41-P79 HydrophobicContact CE-CB 3.7Å; M41-P79 HydrophobicContact CE-CG 3.75Å; M41-E144 HydrophobicContact CE-CG 3.71Å; M41-E144 WeakPolarHBondContact CE-OE1 3.21Å; M41-E144 HydrophobicContact SD-CG 3.97Å; M41-M145 HydrophobicContact SD-CB 4.48Å; M41-M145 HydrophobicContact SD-CG 3.86Å
42T94.4Very high95.3Very high109 Ų10965.5 Ų65.567%0.66935%0.354SS*.Hα-helixtrans-59-24.7174.369.80000113.3A38 Q39 Y40 H44A38-T42 WeakPolarHBondContact O-CG2 3.45Å; A38-T42 PolarHBondContact O-N 3.41Å; Q39-T42 WeakPolarHBondContact O-CB 3.44Å; Q39-T42 PolarHBondContact O-N 3.08Å; Q39-T42 PolarHBondContact O-OG1 3.04Å; Y40-T42 VanDerWaalsContact C-N 3.32Å; Y40-T42 PolarHBondContact O-N 3.2Å; T42-H44 VanDerWaalsContact C-N 3.31Å
43Q92.5Very high95.5Very high126 Ų12657 Ų5759%0.58932%0.321SS*.THydrogen-bonded Turntrans-85.1-5.1178.6-57.617316.600112.8Y40 M41 P45Y40-Q43 PolarHBondContact O-N 3.27Å; M41-Q43 PolarHBondContact O-N 3.17Å; M41-Q43 VanDerWaalsContact O-N 3.1Å; Q43-P45 VanDerWaalsContact C-CD 3.47Å; Q43-P45 WeakPolarHBondContact O-CD 3.3Å
44H93.1Very high95.6Very high55 Ų5564.7 Ų64.726%0.25535%0.348SS..  trans-128.566.1-173.6-60.486.6000110.8Y40 M41 T42 G46 G47 L48Y40-H44 AromaticContact CE1-CE1 3.74Å; Y40-H44 AromaticContact CE2-CE1 3.77Å; Y40-H44 AromaticContact CZ-CE1 3.47Å; Y40-H44 VanDerWaalsContact CZ-CE1 3.47Å; Y40-H44 PolarHBondContact O-ND1 2.98Å; M41-H44 CarbonylContact O-C 3.52Å; M41-H44 PolarHBondContact O-N 3.07Å; T42-H44 VanDerWaalsContact C-N 3.31Å; H44-G46 PolarHBondContact O-N 2.81Å; H44-G46 VanDerWaalsContact O-N 3.17Å; H44-G47 PolarHBondContact O-N 2.78Å; H44-L48 HydrophobicContact CB-CD2 3.64Å
45P86.9Confident95.7Very high123 Ų12363.9 Ų63.980%0.79935%0.346SS*.THydrogen-bonded Turntrans-62.8119.517727.7-33.6000109.4Q43Q43-P45 VanDerWaalsContact C-CD 3.47Å; Q43-P45 WeakPolarHBondContact O-CD 3.3Å
46G92.9Very high95.8Very high62 Ų6262.8 Ų62.864%0.63934%0.338SS*.THydrogen-bonded Turntrans1021.9-173.600000115H44 Q147H44-G46 PolarHBondContact O-N 2.81Å; H44-G46 VanDerWaalsContact O-N 3.17Å; G46-Q147 CarbonylContact C-O 3.52Å
47G96.6Very high95.9Very high17 Ų1762.2 Ų62.218%0.17534%0.335CS..  trans103.5167.6173.300000114.1H44H44-G47 PolarHBondContact O-N 2.78Å
48L97.7Very high96Very high12 Ų1268.3 Ų68.36%0.06336%0.362CS..  trans-82154.5179.7-53.6-176.2000110.8L37 Y40 M41 H44 S50 V53 F56 M145L37-L48 HydrophobicContact CD1-CD1 4.06Å; Y40-L48 HydrophobicContact CD1-CD1 4.2Å; Y40-L48 HydrophobicContact CD1-CD2 3.84Å; Y40-L48 HydrophobicContact CE1-CD1 4.07Å; Y40-L48 HydrophobicContact CE1-CD2 3.62Å; Y40-L48 HydrophobicContact CE1-CG 4.48Å; M41-L48 HydrophobicContact CG-CD1 4.35Å; M41-L48 HydrophobicContact CG-CD2 4.15Å; M41-L48 HydrophobicContact CG-CG 4.3Å; H44-L48 HydrophobicContact CB-CD2 3.64Å; L48-S50 PolarHBondContact O-N 3.39Å; L48-V53 HydrophobicContact CB-CG2 3.77Å; L48-F56 HydrophobicContact CD1-CD2 3.9Å; L48-F56 HydrophobicContact CD1-CE2 3.91Å; L48-M145 HydrophobicContact CD1-CB 4.12Å; L48-M145 HydrophobicContact CD1-CG 3.88Å; L48-M145 HydrophobicContact CD1-SD 4.04Å; L48-M145 HydrophobicContact CG-CB 4.46Å; L48-M145 PolarHBondContact N-O 3.33Å
49H97.1Very high96.2Very high129 Ų12968.5 Ų68.560%0.59736%0.36SS*.  trans-57.9133.6170.7-170.2-89.9000110.7H51 N52 V53H49-H51 WeakPolarHBondContact ND1-CB 3.42Å; H49-H51 PolarHBondContact ND1-N 3.1Å; H49-H51 PolarHBondContact O-N 3.25Å; H49-N52 WeakPolarHBondContact O-CA 3.4Å; H49-N52 WeakPolarHBondContact O-CB 3.29Å; H49-N52 PolarHBondContact O-N 3.48Å; H49-V53 PolarHBondContact O-N 2.93Å; H49-V53 VanDerWaalsContact O-N 3.14Å
50S96.8Very high96.3Very high73 Ų7363.7 Ų63.751%0.5134%0.337SS..Hα-helixtrans-54.4-30.4-172.463.60000114.4L48 R54L48-S50 PolarHBondContact O-N 3.39Å; S50-R54 WeakPolarHBondContact O-CB 3.45Å; S50-R54 PolarHBondContact O-N 2.84Å
51H97.4Very high96.5Very high100 Ų10064.9 Ų64.946%0.46335%0.346SS..Hα-helixtrans-62.1-45.5172.7-172.376.1000112.5H49 R54 I55H49-H51 WeakPolarHBondContact ND1-CB 3.42Å; H49-H51 PolarHBondContact ND1-N 3.1Å; H49-H51 PolarHBondContact O-N 3.25Å; H51-R54 WeakPolarHBondContact O-CB 3.32Å; H51-R54 PolarHBondContact O-N 2.79Å; H51-I55 VanDerWaalsContact NE2-CD1 3.31Å; H51-I55 WeakPolarHBondContact NE2-CD1 3.22Å; H51-I55 WeakPolarHBondContact O-CG1 3.33Å; H51-I55 PolarHBondContact O-N 3.27Å; H51-I55 VanDerWaalsContact O-N 3.11Å
52N97.2Very high96.6Very high49 Ų4968.9 Ų68.926%0.26236%0.361SS..Hα-helixtrans-67.6-42.2178.3-66.4-8.3000110.4H49 R54 I55 F56H49-N52 WeakPolarHBondContact O-CA 3.4Å; H49-N52 WeakPolarHBondContact O-CB 3.29Å; H49-N52 PolarHBondContact O-N 3.48Å; N52-R54 VanDerWaalsContact C-N 3.29Å; N52-R54 PolarHBondContact O-N 2.95Å; N52-I55 PolarHBondContact O-N 3.36Å; N52-I55 VanDerWaalsContact O-N 3.15Å; N52-F56 HydrophobicContact CB-CE2 4.29Å; N52-F56 WeakPolarHBondContact O-CB 3.43Å; N52-F56 WeakPolarHBondContact O-CG 3.31Å; N52-F56 PolarHBondContact O-N 2.89Å
53V98.4Very high96.8Very high3 Ų363.7 Ų63.72%0.01833%0.329CS..Hα-helixtrans-54.5-47.4174.4-175.20000110.8L48 H49 I55 F56 M57 F142 M145 L146L48-V53 HydrophobicContact CB-CG2 3.77Å; H49-V53 PolarHBondContact O-N 2.93Å; H49-V53 VanDerWaalsContact O-N 3.14Å; V53-I55 PolarHBondContact O-N 3.21Å; V53-F56 PolarHBondContact O-N 3.22Å; V53-M57 HydrophobicContact CG1-CG 4.37Å; V53-M57 WeakPolarHBondContact O-CB 3.26Å; V53-M57 WeakPolarHBondContact O-CG 3.32Å; V53-M57 PolarHBondContact O-N 3.45Å; V53-F142 HydrophobicContact CG1-CD2 3.51Å; V53-F142 HydrophobicContact CG1-CE2 3.45Å; V53-F142 VanDerWaalsContact CG1-CE2 3.45Å; V53-M145 HydrophobicContact CG1-CB 4.08Å; V53-M145 HydrophobicContact CG1-CE 4.11Å; V53-M145 HydrophobicContact CG2-CB 4.08Å; V53-L146 HydrophobicContact CB-CD2 4.44Å; V53-L146 HydrophobicContact CG1-CD2 4.04Å; V53-L146 HydrophobicContact CG1-CG 4.19Å; V53-L146 HydrophobicContact CG2-CD2 4.17Å
54R98.5Very high97Very high177 Ų17757.8 Ų57.867%0.66830%0.302SS*.Hα-helixtrans-59.9-45.4178.1-172.9-174.8-56.7172.33.6112.1S50 H51 N52 F58S50-R54 WeakPolarHBondContact O-CB 3.45Å; S50-R54 PolarHBondContact O-N 2.84Å; H51-R54 WeakPolarHBondContact O-CB 3.32Å; H51-R54 PolarHBondContact O-N 2.79Å; N52-R54 VanDerWaalsContact C-N 3.29Å; N52-R54 PolarHBondContact O-N 2.95Å; R54-F58 WeakPolarHBondContact O-CB 3.38Å; R54-F58 PolarHBondContact O-N 3.34Å
55I98.3Very high97.3Very high63 Ų6359.2 Ų59.232%0.32332%0.317SS..Hα-helixtrans-66.3-45.6-179.8-72.7170.8000111.1H51 N52 V53 F58 Q59H51-I55 VanDerWaalsContact NE2-CD1 3.31Å; H51-I55 WeakPolarHBondContact NE2-CD1 3.22Å; H51-I55 WeakPolarHBondContact O-CG1 3.33Å; H51-I55 PolarHBondContact O-N 3.27Å; H51-I55 VanDerWaalsContact O-N 3.11Å; N52-I55 PolarHBondContact O-N 3.36Å; N52-I55 VanDerWaalsContact O-N 3.15Å; V53-I55 PolarHBondContact O-N 3.21Å; I55-F58 PolarHBondContact O-N 3.48Å; I55-Q59 VanDerWaalsContact CG2-NE2 3.26Å; I55-Q59 WeakPolarHBondContact O-CG 3.37Å; I55-Q59 PolarHBondContact O-N 3.29Å
56F98.7Very high97.8Very high8 Ų854.9 Ų54.94%0.03529%0.286CS..Hα-helixtrans-65.5-43.5178.8-68-20.8000111.9L37 Y40 L48 N52 V53 F58 Q59 L60 I84 L90 M145L37-F56 HydrophobicContact CD1-CD2 4.25Å; L37-F56 HydrophobicContact CD1-CE2 4.42Å; Y40-F56 HydrophobicContact CD1-CE2 4.24Å; Y40-F56 AromaticContact CE1-CE2 3.87Å; Y40-F56 HydrophobicContact CE1-CE2 3.87Å; Y40-F56 HydrophobicContact CE1-CZ 4.31Å; L48-F56 HydrophobicContact CD1-CD2 3.9Å; L48-F56 HydrophobicContact CD1-CE2 3.91Å; N52-F56 HydrophobicContact CB-CE2 4.29Å; N52-F56 WeakPolarHBondContact O-CB 3.43Å; N52-F56 WeakPolarHBondContact O-CG 3.31Å; N52-F56 PolarHBondContact O-N 2.89Å; V53-F56 PolarHBondContact O-N 3.22Å; F56-F58 VanDerWaalsContact C-N 3.35Å; F56-F58 PolarHBondContact O-N 3.49Å; F56-Q59 PolarHBondContact O-N 3.31Å; F56-L60 WeakPolarHBondContact O-CB 3.42Å; F56-L60 PolarHBondContact O-N 3.04Å; F56-I84 HydrophobicContact CE1-CG2 4.32Å; F56-I84 HydrophobicContact CE2-CD1 4.03Å; F56-I84 HydrophobicContact CZ-CD1 3.98Å; F56-I84 HydrophobicContact CZ-CG2 4.14Å; F56-L90 HydrophobicContact CB-CD1 3.68Å; F56-L90 HydrophobicContact CD1-CB 4.08Å; F56-L90 HydrophobicContact CD1-CD1 4.13Å; F56-L90 HydrophobicContact CG-CD1 3.99Å; F56-M145 HydrophobicContact CB-CE 4.32Å; F56-M145 HydrophobicContact CB-SD 3.83Å; F56-M145 HydrophobicContact CD2-SD 3.96Å; F56-M145 HydrophobicContact CG-SD 4.42Å
57M98.8Very high97.8Very high24 Ų2452 Ų5212%0.11826%0.255CS..Hα-helixtrans-61.3-42.8173.9-75.9-53.1-61.700112.3V53 Q59 L60 L61 F142 M145V53-M57 HydrophobicContact CG1-CG 4.37Å; V53-M57 WeakPolarHBondContact O-CB 3.26Å; V53-M57 WeakPolarHBondContact O-CG 3.32Å; V53-M57 PolarHBondContact O-N 3.45Å; M57-Q59 PolarHBondContact O-N 3.01Å; M57-L60 PolarHBondContact O-N 3.46Å; M57-L60 HydrophobicContact SD-CD2 4.25Å; M57-L61 HydrophobicContact CE-CD1 4.49Å; M57-L61 HydrophobicContact CE-CG 4.45Å; M57-L61 WeakPolarHBondContact O-CB 3.23Å; M57-L61 WeakPolarHBondContact O-CG 3.22Å; M57-L61 PolarHBondContact O-N 3.48Å; M57-F142 HydrophobicContact CE-CB 3.84Å; M57-F142 HydrophobicContact CE-CG 4.24Å; M57-F142 HydrophobicContact CG-CB 4.24Å; M57-F142 HydrophobicContact CG-CD2 3.63Å; M57-F142 HydrophobicContact CG-CE2 4.28Å; M57-F142 HydrophobicContact CG-CG 4.06Å; M57-F142 HydrophobicContact SD-CB 3.6Å; M57-F142 VanDerWaalsContact SD-CB 3.6Å; M57-F142 HydrophobicContact SD-CD2 4.17Å; M57-F142 HydrophobicContact SD-CG 4.08Å; M57-M145 HydrophobicContact CG-CE 3.55Å; M57-M145 HydrophobicContact SD-CE 3.37Å; M57-M145 WeakPolarHBondContact SD-CE 3.38Å
58F98.8Very high97.7Very high128 Ų12852.4 Ų52.456%0.56125%0.253SS*.Hα-helixtrans-59.5-46.3176.3176.4-104.9000112R54 I55 F56 L61 R62R54-F58 WeakPolarHBondContact O-CB 3.38Å; R54-F58 PolarHBondContact O-N 3.34Å; I55-F58 PolarHBondContact O-N 3.48Å; F56-F58 VanDerWaalsContact C-N 3.35Å; F56-F58 PolarHBondContact O-N 3.49Å; F58-L61 PolarHBondContact O-N 2.91Å; F58-R62 HydrophobicContact CE1-CG 4.38Å; F58-R62 HydrophobicContact CE2-CG 4.47Å; F58-R62 HydrophobicContact CZ-CG 4.28Å; F58-R62 VanDerWaalsContact O-CG 3.31Å; F58-R62 WeakPolarHBondContact O-CG 3.49Å; F58-R62 PolarHBondContact O-N 3.16Å
59Q98.8Very high97.6Very high19 Ų1955 Ų559%0.08928%0.282CS..Hα-helixtrans-65.6-41.4178.7-72.5-175.192.700112.8N12 I55 F56 M57 R62 A63 G88 L90N12-Q59 WeakPolarHBondContact CB-O 3.39Å; N12-Q59 WeakPolarHBondContact ND2-CB 3.48Å; N12-Q59 WeakPolarHBondContact ND2-CG 3.33Å; N12-Q59 PolarHBondContact ND2-OE1 3.28Å; I55-Q59 VanDerWaalsContact CG2-NE2 3.26Å; I55-Q59 WeakPolarHBondContact O-CG 3.37Å; I55-Q59 PolarHBondContact O-N 3.29Å; F56-Q59 PolarHBondContact O-N 3.31Å; M57-Q59 PolarHBondContact O-N 3.01Å; Q59-R62 PolarHBondContact O-N 3.39Å; Q59-A63 PolarHBondContact O-N 3.4Å; Q59-A63 VanDerWaalsContact O-N 3.1Å; Q59-G88 PolarHBondContact NE2-O 3.46Å; Q59-L90 HydrophobicContact CB-CB 3.91Å; Q59-L90 HydrophobicContact CB-CD2 4.4Å
60L98.8Very high97.3Very high1 Ų154.8 Ų54.81%0.00528%0.276CS..Hα-helixtrans-60.5-49.4174.3173.556.4000111.3F56 M57 R62 A63 L64 L77 L82 L90 A138F56-L60 WeakPolarHBondContact O-CB 3.42Å; F56-L60 PolarHBondContact O-N 3.04Å; M57-L60 PolarHBondContact O-N 3.46Å; M57-L60 HydrophobicContact SD-CD2 4.25Å; L60-R62 VanDerWaalsContact C-N 3.29Å; L60-R62 PolarHBondContact O-N 2.91Å; L60-A63 WeakPolarHBondContact O-CB 3.22Å; L60-A63 PolarHBondContact O-N 2.87Å; L60-A63 VanDerWaalsContact O-N 3.09Å; L60-L64 HydrophobicContact CD1-CD1 4.19Å; L60-L64 HydrophobicContact CD1-CG 4.11Å; L60-L64 HydrophobicContact CG-CD1 4.24Å; L60-L64 WeakPolarHBondContact O-CG 3.41Å; L60-L64 PolarHBondContact O-N 2.98Å; L60-L77 HydrophobicContact CD1-CD1 3.87Å; L60-L82 HydrophobicContact CD1-CD1 4.37Å; L60-L82 HydrophobicContact CD1-CD2 3.77Å; L60-L82 HydrophobicContact CD2-CD1 4.06Å; L60-L90 HydrophobicContact CB-CD2 4.17Å; L60-A138 HydrophobicContact CD2-CB 3.96Å
61L98.8Very high97Very high71 Ų7159.9 Ų59.937%0.37228%0.284SS..Hα-helixtrans-64.3-33.4-179.6-69.4172.9000112.3M57 F58 L64 S65 M135M57-L61 HydrophobicContact CE-CD1 4.49Å; M57-L61 HydrophobicContact CE-CG 4.45Å; M57-L61 WeakPolarHBondContact O-CB 3.23Å; M57-L61 WeakPolarHBondContact O-CG 3.22Å; M57-L61 PolarHBondContact O-N 3.48Å; F58-L61 PolarHBondContact O-N 2.91Å; L61-L64 PolarHBondContact O-N 3.35Å; L61-S65 VanDerWaalsContact O-CB 3.29Å; L61-S65 WeakPolarHBondContact O-CB 3.09Å; L61-S65 PolarHBondContact O-N 2.82Å; L61-M135 HydrophobicContact CD2-CE 3.7Å
62R98.6Very high96.5Very high98 Ų9855.3 Ų55.337%0.3726%0.263SS..Hα-helixtrans-63-44.4171-74.1175.364.4-155.43.8112.1N12 F58 Q59 L60 Y66N12-R62 PolarHBondContact OD1-NH1 2.92Å; F58-R62 HydrophobicContact CE1-CG 4.38Å; F58-R62 HydrophobicContact CE2-CG 4.47Å; F58-R62 HydrophobicContact CZ-CG 4.28Å; F58-R62 VanDerWaalsContact O-CG 3.31Å; F58-R62 WeakPolarHBondContact O-CG 3.49Å; F58-R62 PolarHBondContact O-N 3.16Å; Q59-R62 PolarHBondContact O-N 3.39Å; L60-R62 VanDerWaalsContact C-N 3.29Å; L60-R62 PolarHBondContact O-N 2.91Å; R62-Y66 WeakPolarHBondContact O-CB 3.31Å; R62-Y66 PolarHBondContact O-N 3.24Å
63A98.2Very high96.1Very high0 Ų053 Ų530%025%0.251CS..Hα-helixtrans-61.2-47.6175.900000111.6N12 I13 Q59 L60 Y66 I67 L92N12-A63 HydrophobicContact CB-CB 3.94Å; N12-A63 VanDerWaalsContact O-CB 3.23Å; N12-A63 WeakPolarHBondContact O-CB 3.25Å; I13-A63 HydrophobicContact CG1-CB 4.13Å; Q59-A63 PolarHBondContact O-N 3.4Å; Q59-A63 VanDerWaalsContact O-N 3.1Å; L60-A63 WeakPolarHBondContact O-CB 3.22Å; L60-A63 PolarHBondContact O-N 2.87Å; L60-A63 VanDerWaalsContact O-N 3.09Å; A63-Y66 WeakPolarHBondContact O-CB 3.48Å; A63-Y66 PolarHBondContact O-N 3.22Å; A63-I67 PolarHBondContact O-N 3.1Å; A63-I67 VanDerWaalsContact O-N 3.1Å; A63-L92 HydrophobicContact CB-CB 3.97Å; A63-L92 HydrophobicContact CB-CD2 4.14Å
64L97.8Very high95.7Very high2 Ų252.9 Ų52.91%0.0125%0.25CS..Hα-helixtrans-61-47.8177.9-69.1-179.2000111.7L60 L61 Y66 I67 H68 L77 L92 D134 M135 A138L60-L64 HydrophobicContact CD1-CD1 4.19Å; L60-L64 HydrophobicContact CD1-CG 4.11Å; L60-L64 HydrophobicContact CG-CD1 4.24Å; L60-L64 WeakPolarHBondContact O-CG 3.41Å; L60-L64 PolarHBondContact O-N 2.98Å; L61-L64 PolarHBondContact O-N 3.35Å; L64-Y66 VanDerWaalsContact C-N 3.25Å; L64-Y66 PolarHBondContact O-N 2.86Å; L64-I67 HydrophobicContact CD2-CD1 4.05Å; L64-I67 VanDerWaalsContact O-CG1 3.3Å; L64-I67 WeakPolarHBondContact O-CG1 3.49Å; L64-I67 PolarHBondContact O-N 2.81Å; L64-H68 WeakPolarHBondContact O-CB 3.32Å; L64-H68 PolarHBondContact O-N 3.34Å; L64-L77 HydrophobicContact CD2-CD2 4.21Å; L64-L92 HydrophobicContact CD2-CD2 4.17Å; L64-D134 HydrophobicContact CD2-CB 3.93Å; L64-M135 HydrophobicContact CD1-SD 4.22Å; L64-A138 HydrophobicContact CD1-CB 3.92Å
65S98.1Very high95.2Very high84 Ų8445.9 Ų45.959%0.58722%0.223SC*.Hα-helixtrans-56-41.4175.3-176.90000111.8L61 G69L61-S65 VanDerWaalsContact O-CB 3.29Å; L61-S65 WeakPolarHBondContact O-CB 3.09Å; L61-S65 PolarHBondContact O-N 2.82Å; S65-G69 PolarHBondContact O-N 3.37Å; S65-G69 VanDerWaalsContact O-N 3.09Å
66Y96.9Very high94.6Very high33 Ų3344.3 Ų44.313%0.12922%0.216CC..Hα-helixtrans-64.3-45.8179.6176.4-85.6000112.6L8 K9 H10 I13 R62 A63 L64 R70L8-Y66 HydrophobicContact CB-CE1 4.39Å; L8-Y66 HydrophobicContact CD2-CE1 3.93Å; K9-Y66 PolarHBondContact N-OH 2.84Å; K9-Y66 WeakPolarHBondContact O-CE2 3.32Å; K9-Y66 PolarHBondContact O-OH 3.33Å; H10-Y66 HydrophobicContact CB-CD1 3.97Å; H10-Y66 HydrophobicContact CB-CD2 3.86Å; H10-Y66 HydrophobicContact CB-CE1 4.08Å; H10-Y66 HydrophobicContact CB-CE2 3.95Å; H10-Y66 HydrophobicContact CB-CG 3.88Å; H10-Y66 AromaticContact CD2-CD2 3.53Å; H10-Y66 AromaticContact CD2-CG 3.86Å; H10-Y66 AromaticContact CG-CD2 3.88Å; H10-Y66 AromaticContact CG-CG 3.87Å; I13-Y66 HydrophobicContact CD1-CD1 3.31Å; I13-Y66 HydrophobicContact CD1-CE1 3.77Å; I13-Y66 HydrophobicContact CD1-CG 4.18Å; R62-Y66 WeakPolarHBondContact O-CB 3.31Å; R62-Y66 PolarHBondContact O-N 3.24Å; A63-Y66 WeakPolarHBondContact O-CB 3.48Å; A63-Y66 PolarHBondContact O-N 3.22Å; L64-Y66 VanDerWaalsContact C-N 3.25Å; L64-Y66 PolarHBondContact O-N 2.86Å; Y66-R70 VanDerWaalsContact CZ-NE 3.31Å; Y66-R70 PolarHBondContact O-NH1 3.26Å; Y66-R70 PolarHBondContact OH-NE 3.36Å; Y66-R70 PolarHBondContact OH-NH2 2.83Å
67I94.3Very high94.3Very high0 Ų044.1 Ų44.10%022%0.215CC..Hα-helixtrans-76.1-37.2-178.764.3173000111.7I13 A63 L64 G69 R70 R71 I72 H74 L92 F95I13-I67 HydrophobicContact CD1-CG2 3.44Å; I13-I67 VanDerWaalsContact CD1-CG2 3.44Å; A63-I67 PolarHBondContact O-N 3.1Å; A63-I67 VanDerWaalsContact O-N 3.1Å; L64-I67 HydrophobicContact CD2-CD1 4.05Å; L64-I67 VanDerWaalsContact O-CG1 3.3Å; L64-I67 WeakPolarHBondContact O-CG1 3.49Å; L64-I67 PolarHBondContact O-N 2.81Å; I67-G69 VanDerWaalsContact C-N 3.34Å; I67-G69 PolarHBondContact O-N 2.84Å; I67-R70 CarbonylContact O-C 3.45Å; I67-R70 WeakPolarHBondContact O-CA 3.35Å; I67-R70 WeakPolarHBondContact O-CB 3.37Å; I67-R70 PolarHBondContact O-N 3.17Å; I67-R71 PolarHBondContact O-N 3.22Å; I67-I72 CarbonylContact C-O 3.53Å; I67-I72 HydrophobicContact CB-CB 4.12Å; I67-I72 HydrophobicContact CB-CG2 4.33Å; I67-I72 WeakPolarHBondContact O-CB 3.35Å; I67-I72 PolarHBondContact O-N 3.24Å; I67-H74 HydrophobicContact CD1-CB 3.98Å; I67-L92 HydrophobicContact CD1-CD2 3.97Å; I67-F95 HydrophobicContact CD1-CE1 4.18Å; I67-F95 HydrophobicContact CG2-CE1 4.03Å; I67-F95 HydrophobicContact CG2-CZ 4.31Å
68H94.7Very high94.1Very high26 Ų2645 Ų4512%0.1222%0.218CC..Hα-helixtrans-65.4-38.5178.5-71.2-179.6000111.8L64 R70 R71 I72 T131 D134L64-H68 WeakPolarHBondContact O-CB 3.32Å; L64-H68 PolarHBondContact O-N 3.34Å; H68-R70 PolarHBondContact O-N 3.33Å; H68-R71 PolarHBondContact O-N 3.24Å; H68-I72 PolarHBondContact CD2-O 2.84Å; H68-T131 HydrophobicContact CB-CG2 3.84Å; H68-T131 VanDerWaalsContact CG-CG2 3.45Å; H68-T131 WeakPolarHBondContact ND1-CB 3.4Å; H68-T131 WeakPolarHBondContact ND1-CG2 3.37Å; H68-D134 IonicContact CD2-OD2 3.81Å; H68-D134 IonicContact CE1-OD2 2.78Å; H68-D134 IonicContact NE2-OD2 2.98Å; H68-D134 PolarHBondContact NE2-OD2 3.26Å
69G94.1Very high93.9Very high66 Ų6638.9 Ų38.968%0.6819%0.192SC*.Hα-helixtrans-62.3-22.7172.200000113.5S65 I67S65-G69 PolarHBondContact O-N 3.37Å; S65-G69 VanDerWaalsContact O-N 3.09Å; I67-G69 VanDerWaalsContact C-N 3.34Å; I67-G69 PolarHBondContact O-N 2.84Å
70R91.6Very high93.7Very high126 Ų12643.1 Ų43.148%0.47521%0.211SC..THydrogen-bonded Turntrans-95.611.8174.1-72.4166.9177.768.44.4113.4Y66 I67 H68 I72Y66-R70 VanDerWaalsContact CZ-NE 3.31Å; Y66-R70 PolarHBondContact O-NH1 3.26Å; Y66-R70 PolarHBondContact OH-NE 3.36Å; Y66-R70 PolarHBondContact OH-NH2 2.83Å; I67-R70 CarbonylContact O-C 3.45Å; I67-R70 WeakPolarHBondContact O-CA 3.35Å; I67-R70 WeakPolarHBondContact O-CB 3.37Å; I67-R70 PolarHBondContact O-N 3.17Å; H68-R70 PolarHBondContact O-N 3.33Å; R70-I72 HydrophobicContact CB-CD1 4.16Å; R70-I72 HydrophobicContact CB-CG1 4.25Å; R70-I72 PolarHBondContact O-N 3.11Å
71R89.6Confident93.5Very high179 Ų17943.5 Ų43.568%0.67521%0.213SC*.THydrogen-bonded Turntrans59.131.8-177.9-52.5179.8177.9-176.3-1.4113.2I67 H68 S100 K101I67-R71 PolarHBondContact O-N 3.22Å; H68-R71 PolarHBondContact O-N 3.24Å; R71-S100 WeakPolarHBondContact O-CA 3.41Å; R71-K101 HydrophobicContact CB-CB 4.5Å; R71-K101 HydrophobicContact CB-CD 4.14Å; R71-K101 HydrophobicContact CB-CG 4.42Å; R71-K101 WeakPolarHBondContact O-CG 3.49Å; R71-K101 PolarHBondContact O-N 3.19Å
72I88.7Confident93.5Very high4 Ų440.1 Ų40.12%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-103.4135.8174.9-59.4176000108.1L4 L8 I67 H68 R70 A98L4-I72 HydrophobicContact CD1-CD1 4.23Å; L4-I72 HydrophobicContact CD2-CD1 3.58Å; L4-I72 HydrophobicContact CD2-CG1 3.82Å; L4-I72 HydrophobicContact CG-CD1 3.77Å; L4-I72 HydrophobicContact CG-CG1 4.44Å; L8-I72 HydrophobicContact CD1-CD1 4.31Å; L8-I72 HydrophobicContact CD2-CD1 3.64Å; L8-I72 HydrophobicContact CG-CD1 4.49Å; I67-I72 CarbonylContact C-O 3.53Å; I67-I72 HydrophobicContact CB-CB 4.12Å; I67-I72 HydrophobicContact CB-CG2 4.33Å; I67-I72 WeakPolarHBondContact O-CB 3.35Å; I67-I72 PolarHBondContact O-N 3.24Å; H68-I72 PolarHBondContact CD2-O 2.84Å; R70-I72 HydrophobicContact CB-CD1 4.16Å; R70-I72 HydrophobicContact CB-CG1 4.25Å; R70-I72 PolarHBondContact O-N 3.11Å; I72-A98 HydrophobicContact CG2-CB 4.26Å
73L88.8Confident93.5Very high1 Ų137.1 Ų37.11%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-107.8139.7168.6-60.8177.9000108.5R75 A98 R99 K101 T131L73-R75 HydrophobicContact CB-CG 3.81Å; L73-A98 VanDerWaalsContact O-CA 3.31Å; L73-A98 WeakPolarHBondContact O-CA 3.45Å; L73-A98 WeakPolarHBondContact O-CB 3.34Å; L73-R99 PolarHBondContact N-O 2.98Å; L73-R99 PolarHBondContact O-N 3.38Å; L73-K101 HydrophobicContact CD1-CG 4.11Å; L73-K101 HydrophobicContact CD2-CG 4.17Å; L73-K101 HydrophobicContact CG-CG 3.84Å; L73-T131 HydrophobicContact CD2-CG2 3.92Å
74H90.3Very high93.4Very high1 Ų137.4 Ų37.41%0.00519%0.188CC..  trans-77.9-46.6177-173-76.1000111.5I67 D76 L77 A93 D94 F95 D134I67-H74 HydrophobicContact CD1-CB 3.98Å; H74-D76 PolarHBondContact CE1-O 2.98Å; H74-D76 VanDerWaalsContact ND1-C 3.32Å; H74-D76 PolarHBondContact ND1-N 3.39Å; H74-D76 PolarHBondContact ND1-O 3.36Å; H74-D76 PolarHBondContact O-N 3.46Å; H74-D76 VanDerWaalsContact O-N 3.11Å; H74-L77 HydrophobicContact CB-CD2 3.36Å; H74-L77 WeakPolarHBondContact ND1-CD2 3.39Å; H74-A93 PolarHBondContact NE2-O 3.43Å; H74-D94 PolarHBondContact CE1-O 3.45Å; H74-D94 PolarHBondContact NE2-O 2.85Å; H74-F95 AromaticContact CD2-CE1 3.94Å; H74-D134 WeakPolarHBondContact CB-OD1 3.48Å; H74-D134 PolarHBondContact N-OD1 3.37Å; H74-D134 PolarHBondContact N-OD2 3.25Å
75R87Confident93.4Very high29 Ų2938 Ų3811%0.10919%0.192CC..  trans71.1-15.8175.4-56.5-178.9172.7179.7-2.6117.2L73 D134L73-R75 HydrophobicContact CB-CG 3.81Å; R75-D134 PolarHBondContact N-OD1 3.4Å
76D85.9Confident93.1Very high30 Ų3042.6 Ų42.616%0.1620%0.198CC..  trans-127.853.7177.4-167.136.9000112.1H74 K78 N81 L97H74-D76 PolarHBondContact CE1-O 2.98Å; H74-D76 VanDerWaalsContact ND1-C 3.32Å; H74-D76 PolarHBondContact ND1-N 3.39Å; H74-D76 PolarHBondContact ND1-O 3.36Å; H74-D76 PolarHBondContact O-N 3.46Å; H74-D76 VanDerWaalsContact O-N 3.11Å; D76-K78 PolarHBondContact O-N 2.89Å; D76-K78 IonicContact OD1-NZ 3.91Å; D76-K78 WeakPolarHBondContact OD2-CE 3.33Å; D76-K78 IonicContact OD2-NZ 3.76Å; D76-K78 PolarHBondContact OD2-NZ 3.23Å; D76-N81 PolarHBondContact O-ND2 3.15Å; D76-N81 PolarHBondContact OD2-ND2 3.17Å; D76-L97 HydrophobicContact CB-CD1 4.24Å
77L92.7Very high92.9Very high5 Ų546.4 Ų46.43%0.02622%0.22CC..  trans-71.2119.4176-98.7-68.3000109.8L60 L64 H74 L82 L92 Y117 D134 I141L60-L77 HydrophobicContact CD1-CD1 3.87Å; L64-L77 HydrophobicContact CD2-CD2 4.21Å; H74-L77 HydrophobicContact CB-CD2 3.36Å; H74-L77 WeakPolarHBondContact ND1-CD2 3.39Å; L77-L82 HydrophobicContact CD1-CD2 4.17Å; L77-L92 HydrophobicContact CD1-CD1 3.98Å; L77-L92 HydrophobicContact CD2-CD1 4.45Å; L77-Y117 WeakPolarHBondContact O-CB 3.42Å; L77-Y117 VanDerWaalsContact O-CG 3.29Å; L77-D134 HydrophobicContact CD2-CB 4.3Å; L77-I141 HydrophobicContact CB-CD1 4.27Å; L77-I141 HydrophobicContact CD1-CD1 3.98Å
78K93.1Very high92.8Very high42 Ų4248 Ų4818%0.18324%0.236CC..  trans-156.2158.5172.863.2-166.9-175.6-147.70109.4D76 H80 N81 Y117D76-K78 PolarHBondContact O-N 2.89Å; D76-K78 IonicContact OD1-NZ 3.91Å; D76-K78 WeakPolarHBondContact OD2-CE 3.33Å; D76-K78 IonicContact OD2-NZ 3.76Å; D76-K78 PolarHBondContact OD2-NZ 3.23Å; K78-H80 HydrophobicContact CG-CB 4.2Å; K78-H80 PolarHBondContact O-N 3.28Å; K78-H80 VanDerWaalsContact O-N 3.16Å; K78-N81 WeakPolarHBondContact CE-OD1 3.12Å; K78-N81 HydrophobicContact CG-CB 4.29Å; K78-N81 PolarHBondContact O-N 3.08Å; K78-Y117 HydrophobicContact CB-CD2 3.72Å; K78-Y117 HydrophobicContact CB-CE2 3.7Å; K78-Y117 HydrophobicContact CB-CG 4.23Å
79P95.6Very high92.9Very high0 Ų050.8 Ų50.80%025%0.249CC..G310 helixtrans-54.7-35.1-178.8-28.535.9000114.2L37 A38 M41 N81 L82 Y117 I141L37-P79 HydrophobicContact CB-CB 4.12Å; L37-P79 WeakPolarHBondContact CB-O 3.31Å; L37-P79 HydrophobicContact CD2-CB 4.22Å; L37-P79 HydrophobicContact CG-CB 4.17Å; L37-P79 PolarHBondContact N-O 3.29Å; A38-P79 HydrophobicContact CB-CB 3.84Å; M41-P79 HydrophobicContact CE-CB 3.7Å; M41-P79 HydrophobicContact CE-CG 3.75Å; P79-N81 PolarHBondContact O-N 2.85Å; P79-N81 VanDerWaalsContact O-N 3.17Å; P79-L82 PolarHBondContact O-N 3.45Å; P79-Y117 VanDerWaalsContact CD-CE1 3.5Å; P79-Y117 WeakPolarHBondContact CD-OH 3.33Å; P79-Y117 HydrophobicContact CG-CE1 4.2Å; P79-Y117 WeakPolarHBondContact CG-OH 3.34Å; P79-I141 HydrophobicContact CG-CG1 4.25Å
80H94.4Very high93.1Very high107 Ų10747.7 Ų47.750%0.49522%0.217SC..G310 helixtrans-60.4-24.4176.2-59.486.2000113.9K78K78-H80 HydrophobicContact CG-CB 4.2Å; K78-H80 PolarHBondContact O-N 3.28Å; K78-H80 VanDerWaalsContact O-N 3.16Å
81N95.5Very high93.4Very high9 Ų942.6 Ų42.65%0.04820%0.198CC..G310 helixtrans-943.7179.6-67.1-7.2000112.2D76 K78 P79 A93 D94D76-N81 PolarHBondContact O-ND2 3.15Å; D76-N81 PolarHBondContact OD2-ND2 3.17Å; K78-N81 WeakPolarHBondContact CE-OD1 3.12Å; K78-N81 HydrophobicContact CG-CB 4.29Å; K78-N81 PolarHBondContact O-N 3.08Å; P79-N81 PolarHBondContact O-N 2.85Å; P79-N81 VanDerWaalsContact O-N 3.17Å; N81-A93 WeakPolarHBondContact O-CB 3.45Å; N81-A93 PolarHBondContact O-N 3.31Å; N81-D94 HydrophobicContact CB-CB 4.48Å
82L97.5Very high93.8Very high0 Ų034.1 Ų34.10%017%0.166CC..EExtended strand (participates in β ladder)trans-110.1102.3176.6-57.5-174.2000109.2D36 L37 L60 L77 P79 L90 L92 I141D36-L82 CarbonylContact C-O 3.6Å; D36-L82 WeakPolarHBondContact CA-O 3.1Å; L37-L82 HydrophobicContact CB-CB 3.99Å; L37-L82 HydrophobicContact CD2-CB 4.41Å; L37-L82 HydrophobicContact CD2-CD1 3.8Å; L37-L82 PolarHBondContact N-O 2.96Å; L60-L82 HydrophobicContact CD1-CD1 4.37Å; L60-L82 HydrophobicContact CD1-CD2 3.77Å; L60-L82 HydrophobicContact CD2-CD1 4.06Å; L77-L82 HydrophobicContact CD1-CD2 4.17Å; P79-L82 PolarHBondContact O-N 3.45Å; L82-L90 HydrophobicContact CB-CD1 4.31Å; L82-L90 HydrophobicContact CB-CG 4.39Å; L82-L90 HydrophobicContact CD1-CD1 4.33Å; L82-L90 HydrophobicContact CD2-CD2 4.26Å; L82-L92 HydrophobicContact CD2-CD1 3.48Å; L82-L92 VanDerWaalsContact CD2-CD1 3.48Å; L82-I141 HydrophobicContact CD1-CD1 3.88Å; L82-I141 HydrophobicContact CD1-CG2 3.83Å
83L98Very high94Very high35 Ų3534.5 Ų34.518%0.18317%0.17CC..EExtended strand (participates in β ladder)trans-86145.3-179.4-50.8-175.2000111V14 V33 T35 D36 L90 K91 A93V14-L83 HydrophobicContact CG2-CD1 3.7Å; V14-L83 HydrophobicContact CG2-CG 4.29Å; V33-L83 HydrophobicContact CB-CB 3.68Å; V33-L83 HydrophobicContact CB-CD1 3.84Å; V33-L83 HydrophobicContact CB-CG 4.4Å; V33-L83 HydrophobicContact CG1-CB 3.49Å; V33-L83 VanDerWaalsContact CG1-CB 3.49Å; V33-L83 HydrophobicContact CG2-CB 4.18Å; V33-L83 HydrophobicContact CG2-CD1 4.04Å; T35-L83 CarbonylContact O-C 3.44Å; T35-L83 WeakPolarHBondContact O-CA 3.34Å; D36-L83 HydrophobicContact CB-CD2 3.81Å; L83-L90 CarbonylContact O-C 3.53Å; L83-L90 VanDerWaalsContact O-CA 3.32Å; L83-L90 WeakPolarHBondContact O-CA 3.42Å; L83-K91 PolarHBondContact N-O 2.79Å; L83-K91 PolarHBondContact O-N 3.46Å; L83-A93 HydrophobicContact CD1-CB 3.85Å; L83-A93 HydrophobicContact CD2-CB 4.46Å; L83-A93 HydrophobicContact CG-CB 3.79Å
84I97.7Very high93.6Very high7 Ų738.1 Ų38.14%0.03619%0.189CC..EExtended strand (participates in β ladder)trans-122123-178.1-56.8173.9000109.1V33 T35 L37 Y40 F56 E89V33-I84 WeakPolarHBondContact CG1-O 3.24Å; T35-I84 HydrophobicContact CG2-CB 4.12Å; T35-I84 PolarHBondContact N-O 3.34Å; T35-I84 PolarHBondContact O-N 2.98Å; L37-I84 HydrophobicContact CB-CD1 4.09Å; L37-I84 HydrophobicContact CD1-CD1 3.77Å; Y40-I84 HydrophobicContact CD1-CD1 3.9Å; Y40-I84 HydrophobicContact CD2-CD1 4.49Å; Y40-I84 HydrophobicContact CG-CD1 3.8Å; F56-I84 HydrophobicContact CE1-CG2 4.32Å; F56-I84 HydrophobicContact CE2-CD1 4.03Å; F56-I84 HydrophobicContact CZ-CD1 3.98Å; F56-I84 HydrophobicContact CZ-CG2 4.14Å; I84-E89 CarbonylContact C-O 3.55Å; I84-E89 WeakPolarHBondContact CA-O 3.44Å
85S96Very high92.6Very high13 Ų1338.8 Ų38.89%0.09119%0.192CC..  trans-79159.9175.184.80000111.6L87 G88 E89S85-L87 PolarHBondContact O-N 3.28Å; S85-L87 VanDerWaalsContact O-N 3.08Å; S85-L87 PolarHBondContact OG-N 2.88Å; S85-G88 PolarHBondContact O-N 3.01Å; S85-E89 PolarHBondContact N-O 3.42Å; S85-E89 WeakPolarHBondContact OG-CB 3.21Å; S85-E89 PolarHBondContact OG-N 3.43Å
86Y92.2Very high91.3Very high181 Ų18139.5 Ų39.571%0.7121%0.209SC*.THydrogen-bonded Turntrans-59.6-19.5173.576.8-82.4000113.8G88Y86-G88 VanDerWaalsContact C-N 3.3Å
87L92.9Very high90Very high114 Ų11441.3 Ų41.360%0.59722%0.218SC*.THydrogen-bonded Turntrans-85.3-0.3175.2-62.8174.7000112.8S85 E89S85-L87 PolarHBondContact O-N 3.28Å; S85-L87 VanDerWaalsContact O-N 3.08Å; S85-L87 PolarHBondContact OG-N 2.88Å; L87-E89 HydrophobicContact CB-CG 4.32Å
88G92.4Very high88.3Confident32 Ų3241.3 Ų41.333%0.3322%0.219SC..SBendtrans81.218.2-176.900000114.2Q59 S85 Y86Q59-G88 PolarHBondContact NE2-O 3.46Å; S85-G88 PolarHBondContact O-N 3.01Å; Y86-G88 VanDerWaalsContact C-N 3.3Å
89E96.8Very high86.7Confident86 Ų8643 Ų4340%0.40222%0.224SC..  trans-85132176.1-55.5176.7139.700110.5I84 S85 L87I84-E89 CarbonylContact C-O 3.55Å; I84-E89 WeakPolarHBondContact CA-O 3.44Å; S85-E89 PolarHBondContact N-O 3.42Å; S85-E89 WeakPolarHBondContact OG-CB 3.21Å; S85-E89 PolarHBondContact OG-N 3.43Å; L87-E89 HydrophobicContact CB-CG 4.32Å
90L98.4Very high84.9Confident0 Ų044.8 Ų44.80%024%0.236CC..EExtended strand (participates in β ladder)trans-97.3131.1175.8-176.7153.8000110.3N12 F56 Q59 L60 L82 L83N12-L90 WeakPolarHBondContact CA-O 3.47Å; N12-L90 WeakPolarHBondContact CB-O 3.31Å; N12-L90 PolarHBondContact ND2-O 2.94Å; F56-L90 HydrophobicContact CB-CD1 3.68Å; F56-L90 HydrophobicContact CD1-CB 4.08Å; F56-L90 HydrophobicContact CD1-CD1 4.13Å; F56-L90 HydrophobicContact CG-CD1 3.99Å; Q59-L90 HydrophobicContact CB-CB 3.91Å; Q59-L90 HydrophobicContact CB-CD2 4.4Å; L60-L90 HydrophobicContact CB-CD2 4.17Å; L82-L90 HydrophobicContact CB-CD1 4.31Å; L82-L90 HydrophobicContact CB-CG 4.39Å; L82-L90 HydrophobicContact CD1-CD1 4.33Å; L82-L90 HydrophobicContact CD2-CD2 4.26Å; L83-L90 CarbonylContact O-C 3.53Å; L83-L90 VanDerWaalsContact O-CA 3.32Å; L83-L90 WeakPolarHBondContact O-CA 3.42Å
91K98.1Very high82.9Confident20 Ų2044 Ų449%0.08723%0.231CC..EExtended strand (participates in β ladder)trans-127.2126.4179-72.2167.7174.8-78.50110.9A11 V14 E31 V33 L83A11-K91 WeakPolarHBondContact O-CG 3.43Å; A11-K91 PolarHBondContact O-NZ 3.02Å; A11-K91 VanDerWaalsContact O-NZ 3.07Å; V14-K91 HydrophobicContact CG2-CB 3.78Å; E31-K91 VanDerWaalsContact CD-NZ 3.28Å; E31-K91 IonicContact OE1-NZ 3.51Å; E31-K91 PolarHBondContact OE1-NZ 2.79Å; E31-K91 WeakPolarHBondContact OE2-CE 3.43Å; E31-K91 IonicContact OE2-NZ 2.81Å; E31-K91 PolarHBondContact OE2-NZ 3.45Å; V33-K91 HydrophobicContact CG2-CD 3.8Å; L83-K91 PolarHBondContact N-O 2.79Å; L83-K91 PolarHBondContact O-N 3.46Å
92L97.1Very high80.6Confident0 Ų048.1 Ų48.10%026%0.261CS..EExtended strand (participates in β ladder)trans-74124.7173.4-176.662000110N12 V14 A63 L64 I67 L77 L82 F95N12-L92 PolarHBondContact O-N 3.14Å; V14-L92 PolarHBondContact N-O 3.45Å; A63-L92 HydrophobicContact CB-CB 3.97Å; A63-L92 HydrophobicContact CB-CD2 4.14Å; L64-L92 HydrophobicContact CD2-CD2 4.17Å; I67-L92 HydrophobicContact CD1-CD2 3.97Å; L77-L92 HydrophobicContact CD1-CD1 3.98Å; L77-L92 HydrophobicContact CD2-CD1 4.45Å; L82-L92 HydrophobicContact CD2-CD1 3.48Å; L82-L92 VanDerWaalsContact CD2-CD1 3.48Å; L92-F95 HydrophobicContact CD2-CZ 4.17Å; L92-F95 HydrophobicContact CG-CZ 4.19Å
93A92.7Very high78.4Confident12 Ų1252.2 Ų52.210%0.09928%0.282CS..  trans-118.8-179.9-177.200000111.7V14 H74 N81 L83V14-A93 HydrophobicContact CB-CB 4.29Å; V14-A93 HydrophobicContact CG2-CB 3.57Å; H74-A93 PolarHBondContact NE2-O 3.43Å; N81-A93 WeakPolarHBondContact O-CB 3.45Å; N81-A93 PolarHBondContact O-N 3.31Å; L83-A93 HydrophobicContact CD1-CB 3.85Å; L83-A93 HydrophobicContact CD2-CB 4.46Å; L83-A93 HydrophobicContact CG-CB 3.79Å
94D80.6Confident75.8Confident77 Ų7756 Ų5641%0.41231%0.309SS..  trans50.976.1174.4-163.10.7000116.1H74 N81 G96H74-D94 PolarHBondContact CE1-O 3.45Å; H74-D94 PolarHBondContact NE2-O 2.85Å; N81-D94 HydrophobicContact CB-CB 4.48Å; D94-G96 PolarHBondContact O-N 3.17Å; D94-G96 PolarHBondContact OD1-N 3.16Å
95F70.3Confident73.5Confident15 Ų1556.8 Ų56.87%0.06632%0.317CS..  trans-87.522.3170.4-66-94000112.7L5 L8 I13 I67 H74 L92 L97 A98L5-F95 HydrophobicContact CD1-CB 4.03Å; L5-F95 HydrophobicContact CD2-CB 3.29Å; L5-F95 HydrophobicContact CD2-CD1 4.16Å; L5-F95 HydrophobicContact CD2-CD2 4.1Å; L5-F95 HydrophobicContact CD2-CG 3.6Å; L5-F95 HydrophobicContact CG-CB 4.3Å; L8-F95 HydrophobicContact CD1-CD1 4.27Å; L8-F95 HydrophobicContact CD1-CE1 4.02Å; L8-F95 HydrophobicContact CD1-CZ 4.17Å; I13-F95 HydrophobicContact CG2-CE2 3.71Å; I13-F95 HydrophobicContact CG2-CZ 3.81Å; I67-F95 HydrophobicContact CD1-CE1 4.18Å; I67-F95 HydrophobicContact CG2-CE1 4.03Å; I67-F95 HydrophobicContact CG2-CZ 4.31Å; H74-F95 AromaticContact CD2-CE1 3.94Å; L92-F95 HydrophobicContact CD2-CZ 4.17Å; L92-F95 HydrophobicContact CG-CZ 4.19Å; F95-L97 PolarHBondContact O-N 2.82Å; F95-L97 VanDerWaalsContact O-N 3.16Å; F95-A98 HydrophobicContact CB-CB 3.6Å; F95-A98 HydrophobicContact CD1-CB 3.65Å; F95-A98 HydrophobicContact CG-CB 4.12Å; F95-A98 VanDerWaalsContact O-CB 3.26Å; F95-A98 WeakPolarHBondContact O-CB 3.45Å; F95-A98 PolarHBondContact O-N 2.94Å
96G60.3Low71Confident45 Ų4564.9 Ų64.946%0.46435%0.353SS..THydrogen-bonded Turntrans-54.4-35.7-177.600000113.1D94 R99D94-G96 PolarHBondContact O-N 3.17Å; D94-G96 PolarHBondContact OD1-N 3.16Å; G96-R99 PolarHBondContact O-NH1 2.75Å
97L56.9Low68.5Low68 Ų6864 Ų6436%0.35636%0.36SS..THydrogen-bonded Turntrans-98.3-0.6176.3-53.4-170.5000113.9D76 F95 R99 F108D76-L97 HydrophobicContact CB-CD1 4.24Å; F95-L97 PolarHBondContact O-N 2.82Å; F95-L97 VanDerWaalsContact O-N 3.16Å; L97-R99 PolarHBondContact O-N 3.3Å; L97-F108 HydrophobicContact CB-CE1 4.49Å; L97-F108 HydrophobicContact CD1-CE1 3.95Å; L97-F108 HydrophobicContact CD2-CE1 4.06Å; L97-F108 HydrophobicContact CG-CE1 4.39Å
98A56.8Low66Low4 Ų463.1 Ų63.13%0.03335%0.352CS..  trans-66.9137.6-177.800000111.2I72 L73 F95I72-A98 HydrophobicContact CG2-CB 4.26Å; L73-A98 VanDerWaalsContact O-CA 3.31Å; L73-A98 WeakPolarHBondContact O-CA 3.45Å; L73-A98 WeakPolarHBondContact O-CB 3.34Å; F95-A98 HydrophobicContact CB-CB 3.6Å; F95-A98 HydrophobicContact CD1-CB 3.65Å; F95-A98 HydrophobicContact CG-CB 4.12Å; F95-A98 VanDerWaalsContact O-CB 3.26Å; F95-A98 WeakPolarHBondContact O-CB 3.45Å; F95-A98 PolarHBondContact O-N 2.94Å
99R60.2Low63.3Low79 Ų7966 Ų6630%0.29837%0.367SS..EExtended strand (participates in β ladder)trans-143.7155.6-178.6-65.2-66.2-178.1-88.71.7110.4L73 G96 L97L73-R99 PolarHBondContact N-O 2.98Å; L73-R99 PolarHBondContact O-N 3.38Å; G96-R99 PolarHBondContact O-NH1 2.75Å; L97-R99 PolarHBondContact O-N 3.3Å
100S57.9Low60.3Low37 Ų3767.4 Ų67.426%0.25939%0.387SS..EExtended strand (participates in β ladder)trans-60.4141.2165.2176.50000109.2R71 S102 I103R71-S100 WeakPolarHBondContact O-CA 3.41Å; S100-S102 PolarHBondContact O-N 2.77Å; S100-S102 PolarHBondContact OG-N 2.57Å; S100-S102 PolarHBondContact OG-OG 2.83Å; S100-I103 PolarHBondContact O-N 3.17Å; S100-I103 VanDerWaalsContact O-N 3.11Å
101K53.3Low57.3Low89 Ų8975 Ų7539%0.38742%0.422SS..THydrogen-bonded Turntrans-52.1-23.1173.2-73.2176.2-179.1175.90113.5R71 L73 T131R71-K101 HydrophobicContact CB-CB 4.5Å; R71-K101 HydrophobicContact CB-CD 4.14Å; R71-K101 HydrophobicContact CB-CG 4.42Å; R71-K101 WeakPolarHBondContact O-CG 3.49Å; R71-K101 PolarHBondContact O-N 3.19Å; L73-K101 HydrophobicContact CD1-CG 4.11Å; L73-K101 HydrophobicContact CD2-CG 4.17Å; L73-K101 HydrophobicContact CG-CG 3.84Å; K101-T131 VanDerWaalsContact CE-CG2 3.45Å
102S47.4Very low54.7Low97 Ų9781.3 Ų81.368%0.67846%0.462SS*.THydrogen-bonded Turntrans-82.8-6.2-177.862.80000115.4S100S100-S102 PolarHBondContact O-N 2.77Å; S100-S102 PolarHBondContact OG-N 2.57Å; S100-S102 PolarHBondContact OG-OG 2.83Å
103I50.1Low52.7Low85 Ų8584.3 Ų84.344%0.43648%0.48SS..SBendtrans-103.5115-177.2-57.2173.1000108.3S100 A105S100-I103 PolarHBondContact O-N 3.17Å; S100-I103 VanDerWaalsContact O-N 3.11Å; I103-A105 PolarHBondContact O-N 3.27Å
104P43.3Very low51.6Low115 Ų11586.9 Ų86.975%0.74750%0.495SS*.PPolyproline II helixtrans-55.8132.8173.2-2131.6000109.9Q106P104-Q106 PolarHBondContact O-N 3.33Å
105A50.4Low51.9Low24 Ų2484 Ų8420%0.19848%0.479CS..PPolyproline II helixtrans-73.2116.8172.100000107.9I103 F108 Y129I103-A105 PolarHBondContact O-N 3.27Å; A105-F108 HydrophobicContact CB-CE2 4.01Å; A105-Y129 HydrophobicContact CB-CD2 4.11Å; A105-Y129 HydrophobicContact CB-CE2 3.54Å
106Q42.6Very low52.9Low183 Ų18387.3 Ų87.386%0.85549%0.491SS*.PPolyproline II helixtrans-69.5138.7160.6-84.8-178.5-13.200108.2P104 F108P104-Q106 PolarHBondContact O-N 3.33Å; Q106-F108 PolarHBondContact O-N 3.22Å
107N39.8Very low54.4Low162 Ų16286.2 Ų86.287%0.86647%0.473SS*.  trans-34.9118.7-176.6-60.1-16.2000112.1S109N107-S109 PolarHBondContact O-N 3.08Å
108F40.9Very low56Low95 Ų9585.6 Ų85.642%0.41747%0.466SS..  trans-66126.8171.5-71.4-82.1000108.6L97 A105 Q106 S110L97-F108 HydrophobicContact CB-CE1 4.49Å; L97-F108 HydrophobicContact CD1-CE1 3.95Å; L97-F108 HydrophobicContact CD2-CE1 4.06Å; L97-F108 HydrophobicContact CG-CE1 4.39Å; A105-F108 HydrophobicContact CB-CE2 4.01Å; Q106-F108 PolarHBondContact O-N 3.22Å; F108-S110 PolarHBondContact O-N 3.06Å
109S34.8Very low57.7Low93 Ų9385.6 Ų85.665%0.6547%0.466SS*.  trans-61.4127.8171.249.90000109.4N107 E111N107-S109 PolarHBondContact O-N 3.08Å; S109-E111 PolarHBondContact O-N 3.33Å
110S34.9Very low59.3Low116 Ų11682.4 Ų82.481%0.81146%0.456SS*.  trans-70.161.2179.852.40000112.5F108F108-S110 PolarHBondContact O-N 3.06Å
111E35.2Very low61Low160 Ų16082.1 Ų82.175%0.74845%0.451SS*.SBendtrans-116.9100.9171.8-78.6-175.7160.700109.4S109 V113S109-E111 PolarHBondContact O-N 3.33Å; E111-V113 PolarHBondContact O-N 3.04Å; E111-V113 VanDerWaalsContact O-N 3.15Å
112V43.8Very low62.7Low152 Ų15279 Ų7992%0.92144%0.439SS*.SBendtrans46.947.5166.5-156.30000114.8
113V55.3Low64.8Low63 Ų6374.7 Ų74.738%0.38241%0.409SS..  trans-80.6124.2169.3177.20000108.4E111 L115E111-V113 PolarHBondContact O-N 3.04Å; E111-V113 VanDerWaalsContact O-N 3.15Å; V113-L115 PolarHBondContact O-N 2.73Å
114T69.4Low66.8Low66 Ų6670.6 Ų70.641%0.40539%0.388SS..  trans-59.4102.7174-49.50000110W116 Y117T114-W116 HydrophobicContact CG2-CB 4.03Å; T114-W116 HydrophobicContact CG2-CD2 3.74Å; T114-W116 HydrophobicContact CG2-CE3 3.96Å; T114-W116 HydrophobicContact CG2-CG 3.77Å; T114-W116 PolarHBondContact O-N 3.15Å; T114-Y117 HydrophobicContact CG2-CD2 4.2Å; T114-Y117 HydrophobicContact CG2-CE2 3.92Å
115L85.7Confident68.9Low16 Ų1666.3 Ų66.38%0.08437%0.365CS..G310 helixtrans-67-15.3-176.1-63.9178.4000113.6V113 Y117 R118 L123 D157 E158 Q161V113-L115 PolarHBondContact O-N 2.73Å; L115-Y117 PolarHBondContact O-N 3.2Å; L115-R118 VanDerWaalsContact CD2-NH1 3.27Å; L115-R118 WeakPolarHBondContact O-CB 3.37Å; L115-R118 PolarHBondContact O-N 3.1Å; L115-L123 HydrophobicContact CD2-CD2 4.46Å; L115-D157 WeakPolarHBondContact CD1-O 3.42Å; L115-E158 HydrophobicContact CD2-CG 4.45Å; L115-Q161 HydrophobicContact CB-CB 4.18Å; L115-Q161 HydrophobicContact CB-CG 3.93Å; L115-Q161 HydrophobicContact CD1-CB 4.37Å
116W91.4Very high70.7Confident84 Ų8465.8 Ų65.832%0.31836%0.359SS..G310 helixtrans-59.8-23.4-168.8-54.7-11.5000115T114 P150 A153T114-W116 HydrophobicContact CG2-CB 4.03Å; T114-W116 HydrophobicContact CG2-CD2 3.74Å; T114-W116 HydrophobicContact CG2-CE3 3.96Å; T114-W116 HydrophobicContact CG2-CG 3.77Å; T114-W116 PolarHBondContact O-N 3.15Å; W116-P150 HydrophobicContact CD2-CB 4.33Å; W116-P150 HydrophobicContact CE3-CB 3.62Å; W116-P150 HydrophobicContact CE3-CG 3.51Å; W116-P150 HydrophobicContact CH2-CG 4.22Å; W116-P150 HydrophobicContact CZ3-CB 3.99Å; W116-P150 HydrophobicContact CZ3-CG 3.33Å; W116-A153 HydrophobicContact CZ2-CB 4.48Å
117Y92.4Very high72.6Confident23 Ų2363.4 Ų63.49%0.0935%0.351CS..G310 helixtrans-109.14.7-179-48.8-85000112.9L77 K78 P79 T114 L115 C140 I141 E144L77-Y117 WeakPolarHBondContact O-CB 3.42Å; L77-Y117 VanDerWaalsContact O-CG 3.29Å; K78-Y117 HydrophobicContact CB-CD2 3.72Å; K78-Y117 HydrophobicContact CB-CE2 3.7Å; K78-Y117 HydrophobicContact CB-CG 4.23Å; P79-Y117 VanDerWaalsContact CD-CE1 3.5Å; P79-Y117 WeakPolarHBondContact CD-OH 3.33Å; P79-Y117 HydrophobicContact CG-CE1 4.2Å; P79-Y117 WeakPolarHBondContact CG-OH 3.34Å; T114-Y117 HydrophobicContact CG2-CD2 4.2Å; T114-Y117 HydrophobicContact CG2-CE2 3.92Å; L115-Y117 PolarHBondContact O-N 3.2Å; Y117-C140 HydrophobicContact CD1-CB 3.73Å; Y117-C140 HydrophobicContact CE1-CB 4.26Å; Y117-I141 HydrophobicContact CD1-CG1 4.12Å; Y117-I141 HydrophobicContact CE1-CG1 3.99Å; Y117-E144 WeakPolarHBondContact CE1-OE2 3.48Å; Y117-E144 PolarHBondContact OH-OE2 3.01Å
118R91Very high74.5Confident54 Ų5462.9 Ų62.920%0.20434%0.343CS..  trans-81.2132.5179.9-167178.4-74.9174.13.9109.7L115 V122 L123 W136 E158L115-R118 VanDerWaalsContact CD2-NH1 3.27Å; L115-R118 WeakPolarHBondContact O-CB 3.37Å; L115-R118 PolarHBondContact O-N 3.1Å; R118-V122 HydrophobicContact CG-CB 4Å; R118-V122 HydrophobicContact CG-CG1 3.82Å; R118-L123 HydrophobicContact CB-CD2 4.19Å; R118-L123 HydrophobicContact CB-CG 4.23Å; R118-L123 HydrophobicContact CG-CD2 4.08Å; R118-L123 HydrophobicContact CG-CG 4Å; R118-W136 PolarHBondContact O-NE1 2.9Å; R118-E158 IonicContact NH1-OE1 3.64Å; R118-E158 PolarHBondContact NH1-OE1 3.07Å; R118-E158 VanDerWaalsContact NH1-OE1 3.08Å
119P92.6Very high76.2Confident5 Ų561.4 Ų61.43%0.03234%0.335CS..  trans-74.5157-179.233.2-39.2000112.3D121 V122 L123 L133 W136P119-D121 VanDerWaalsContact C-N 3.32Å; P119-D121 WeakPolarHBondContact CB-OD1 3.34Å; P119-D121 VanDerWaalsContact CG-OD1 3.24Å; P119-D121 WeakPolarHBondContact CG-OD1 3.43Å; P119-D121 PolarHBondContact O-N 3.23Å; P119-V122 HydrophobicContact CG-CB 3.94Å; P119-V122 HydrophobicContact CG-CG2 3.57Å; P119-V122 PolarHBondContact O-N 3.36Å; P119-L123 WeakPolarHBondContact O-CG 3.33Å; P119-L123 PolarHBondContact O-N 2.93Å; P119-L133 HydrophobicContact CG-CB 4.35Å; P119-L133 HydrophobicContact CG-CG 3.97Å; P119-W136 VanDerWaalsContact CA-CD1 3.47Å; P119-W136 HydrophobicContact CB-CB 3.78Å; P119-W136 HydrophobicContact CB-CD2 3.98Å; P119-W136 HydrophobicContact CB-CG 3.55Å
120P93.9Very high78.7Confident12 Ų1259.4 Ų59.48%0.07832%0.321CS..Hα-helixtrans-62.8-33.1-174.924.3-34.7000113.6L123 M124 W136 L162 W177P120-L123 PolarHBondContact O-N 2.86Å; P120-M124 HydrophobicContact CB-CE 4.03Å; P120-M124 WeakPolarHBondContact O-CB 3.33Å; P120-M124 WeakPolarHBondContact O-CE 3.43Å; P120-M124 VanDerWaalsContact O-CG 3.28Å; P120-M124 WeakPolarHBondContact O-CG 3.44Å; P120-M124 PolarHBondContact O-N 3.06Å; P120-W136 HydrophobicContact CG-CE3 4.49Å; P120-W136 HydrophobicContact CG-CH2 4.03Å; P120-W136 HydrophobicContact CG-CZ2 4.48Å; P120-W136 HydrophobicContact CG-CZ3 4.04Å; P120-L162 HydrophobicContact CB-CD2 3.88Å; P120-W177 HydrophobicContact CB-CH2 4.47Å; P120-W177 HydrophobicContact CB-CZ3 4.19Å; P120-W177 HydrophobicContact CG-CH2 4.17Å; P120-W177 HydrophobicContact CG-CZ3 3.95Å
121D92.5Very high81.4Confident30 Ų3056 Ų5616%0.1630%0.296CS..Hα-helixtrans-63.4-43.6176.262.1-40.5000111.8P119 M124 G125 S126 W177 L183P119-D121 VanDerWaalsContact C-N 3.32Å; P119-D121 WeakPolarHBondContact CB-OD1 3.34Å; P119-D121 VanDerWaalsContact CG-OD1 3.24Å; P119-D121 WeakPolarHBondContact CG-OD1 3.43Å; P119-D121 PolarHBondContact O-N 3.23Å; D121-M124 CarbonylContact O-C 3.5Å; D121-M124 PolarHBondContact O-N 3.37Å; D121-G125 PolarHBondContact O-N 2.88Å; D121-S126 WeakPolarHBondContact O-CB 3.43Å; D121-S126 PolarHBondContact O-N 3.02Å; D121-W177 HydrophobicContact CB-CH2 3.69Å; D121-W177 HydrophobicContact CB-CZ2 3.84Å; D121-L183 HydrophobicContact CB-CD1 4.41Å
122V90.1Very high84.2Confident24 Ų2451 Ų5115%0.14528%0.282CS..Hα-helixtrans-69-40.3178.4178.50000110.7R118 P119 M124 G125 Y129 L133R118-V122 HydrophobicContact CG-CB 4Å; R118-V122 HydrophobicContact CG-CG1 3.82Å; P119-V122 HydrophobicContact CG-CB 3.94Å; P119-V122 HydrophobicContact CG-CG2 3.57Å; P119-V122 PolarHBondContact O-N 3.36Å; V122-M124 PolarHBondContact O-N 3.23Å; V122-G125 PolarHBondContact O-N 3.35Å; V122-Y129 HydrophobicContact CG1-CE1 4.32Å; V122-Y129 HydrophobicContact CG2-CD1 4.41Å; V122-Y129 HydrophobicContact CG2-CE1 4.12Å; V122-L133 HydrophobicContact CG2-CD1 4.06Å
123L90.8Very high86.5Confident6 Ų644.6 Ų44.63%0.03124%0.242CC..Hα-helixtrans-60.5-34.9172.5-68166.4000111.5L115 R118 P119 P120 G125 E158 Q161 L162 I165L115-L123 HydrophobicContact CD2-CD2 4.46Å; R118-L123 HydrophobicContact CB-CD2 4.19Å; R118-L123 HydrophobicContact CB-CG 4.23Å; R118-L123 HydrophobicContact CG-CD2 4.08Å; R118-L123 HydrophobicContact CG-CG 4Å; P119-L123 WeakPolarHBondContact O-CG 3.33Å; P119-L123 PolarHBondContact O-N 2.93Å; P120-L123 PolarHBondContact O-N 2.86Å; L123-G125 PolarHBondContact O-N 3.11Å; L123-E158 HydrophobicContact CD2-CB 3.84Å; L123-E158 HydrophobicContact CD2-CG 3.68Å; L123-Q161 HydrophobicContact CD1-CB 4.16Å; L123-Q161 HydrophobicContact CD1-CG 3.73Å; L123-Q161 HydrophobicContact CD2-CB 4.19Å; L123-Q161 HydrophobicContact CD2-CG 4.23Å; L123-L162 HydrophobicContact CB-CD1 3.91Å; L123-L162 HydrophobicContact CB-CD2 3.76Å; L123-L162 HydrophobicContact CB-CG 3.64Å; L123-L162 HydrophobicContact CD1-CD2 4Å; L123-L162 HydrophobicContact CD1-CG 4.01Å; L123-L162 HydrophobicContact CG-CG 4.41Å; L123-I165 HydrophobicContact CD1-CD1 3.62Å
124M91.9Very high88.3Confident0 Ų041.6 Ų41.60%022%0.224CC..THydrogen-bonded Turntrans-82.79.5175.3-69.7-176.6-75.900114.4P120 D121 V122 L162 W166 W177 V180 L183 P184 N185 Y186P120-M124 HydrophobicContact CB-CE 4.03Å; P120-M124 WeakPolarHBondContact O-CB 3.33Å; P120-M124 WeakPolarHBondContact O-CE 3.43Å; P120-M124 VanDerWaalsContact O-CG 3.28Å; P120-M124 WeakPolarHBondContact O-CG 3.44Å; P120-M124 PolarHBondContact O-N 3.06Å; D121-M124 CarbonylContact O-C 3.5Å; D121-M124 PolarHBondContact O-N 3.37Å; V122-M124 PolarHBondContact O-N 3.23Å; M124-L162 HydrophobicContact CG-CD1 3.71Å; M124-L162 HydrophobicContact CG-CD2 4.02Å; M124-W166 HydrophobicContact CE-CZ2 4.43Å; M124-W166 HydrophobicContact SD-CH2 4.28Å; M124-W166 HydrophobicContact SD-CZ2 3.86Å; M124-W177 HydrophobicContact CE-CH2 3.81Å; M124-W177 HydrophobicContact CE-CZ3 3.63Å; M124-V180 HydrophobicContact CE-CG2 4.07Å; M124-V180 HydrophobicContact SD-CG2 4.29Å; M124-L183 HydrophobicContact CB-CB 3.97Å; M124-L183 HydrophobicContact CB-CD1 3.93Å; M124-L183 HydrophobicContact CE-CD1 3.57Å; M124-L183 HydrophobicContact SD-CD1 4.06Å; M124-P184 WeakPolarHBondContact O-CD 3.2Å; M124-N185 WeakPolarHBondContact O-CB 3.48Å; M124-N185 PolarHBondContact O-N 3.39Å; M124-Y186 HydrophobicContact SD-CD2 3.59Å; M124-Y186 VanDerWaalsContact SD-CD2 3.59Å; M124-Y186 HydrophobicContact SD-CG 4.23Å
125G88.5Confident89.7Confident25 Ų2542.5 Ų42.526%0.25823%0.225SC..THydrogen-bonded Turntrans8716.5172.900000115.2D121 V122 L123 I127D121-G125 PolarHBondContact O-N 2.88Å; V122-G125 PolarHBondContact O-N 3.35Å; L123-G125 PolarHBondContact O-N 3.11Å; G125-I127 PolarHBondContact O-N 2.88Å
126S88.3Confident90.2Very high13 Ų1344.6 Ų44.69%0.09123%0.231CC..  trans-59.1130.7170.3-179.60000110.9D121 H128D121-S126 WeakPolarHBondContact O-CB 3.43Å; D121-S126 PolarHBondContact O-N 3.02Å; S126-H128 PolarHBondContact OG-N 3.34Å
127I81.3Confident90.4Very high133 Ų13340.6 Ų40.668%0.68222%0.217SC*.  trans-94.9-2.6171.361.7171.3000112.3G125 Y129G125-I127 PolarHBondContact O-N 2.88Å; I127-Y129 WeakPolarHBondContact O-CD2 3.35Å; I127-Y129 PolarHBondContact O-N 3.14Å
128H80.5Confident90.6Very high150 Ų15039.6 Ų39.669%0.69421%0.213SC*.  trans-90.182.9-175.8-66.7-63.8000111.3S126 S130S126-H128 PolarHBondContact OG-N 3.34Å; H128-S130 PolarHBondContact O-N 2.82Å
129Y76.2Confident91Very high64 Ų6438.4 Ų38.425%0.25122%0.218SC..  trans-73.1118.8176.2-58.7-77000111.8A105 V122 I127 L133A105-Y129 HydrophobicContact CB-CD2 4.11Å; A105-Y129 HydrophobicContact CB-CE2 3.54Å; V122-Y129 HydrophobicContact CG1-CE1 4.32Å; V122-Y129 HydrophobicContact CG2-CD1 4.41Å; V122-Y129 HydrophobicContact CG2-CE1 4.12Å; I127-Y129 WeakPolarHBondContact O-CD2 3.35Å; I127-Y129 PolarHBondContact O-N 3.14Å; Y129-L133 HydrophobicContact CD1-CD1 3.66Å; Y129-L133 HydrophobicContact CE1-CD1 4.16Å
130S86.6Confident91.2Very high51 Ų5138.4 Ų38.436%0.35722%0.217SC..  trans-121.6179.4175.379.70000111.6H128 A132 L133H128-S130 PolarHBondContact O-N 2.82Å; S130-A132 PolarHBondContact O-N 3.23Å; S130-A132 WeakPolarHBondContact OG-CB 3.27Å; S130-A132 PolarHBondContact OG-N 3.43Å; S130-A132 VanDerWaalsContact OG-N 3.1Å; S130-L133 PolarHBondContact O-N 2.95Å
131T92.4Very high91.4Very high46 Ų4637.8 Ų37.828%0.28221%0.214SC..Hα-helixtrans-62.3-20.9171.747.90000112.4H68 L73 K101 L133 D134 M135H68-T131 HydrophobicContact CB-CG2 3.84Å; H68-T131 VanDerWaalsContact CG-CG2 3.45Å; H68-T131 WeakPolarHBondContact ND1-CB 3.4Å; H68-T131 WeakPolarHBondContact ND1-CG2 3.37Å; L73-T131 HydrophobicContact CD2-CG2 3.92Å; K101-T131 VanDerWaalsContact CE-CG2 3.45Å; T131-L133 PolarHBondContact O-N 3.46Å; T131-D134 PolarHBondContact O-N 2.94Å; T131-M135 WeakPolarHBondContact O-CG 3.49Å; T131-M135 PolarHBondContact O-N 2.9Å
132A93.1Very high91.7Very high55 Ų5540.6 Ų40.646%0.45523%0.225SC..Hα-helixtrans-60.8-27.4178.800000112.8S130 M135 W136S130-A132 PolarHBondContact O-N 3.23Å; S130-A132 WeakPolarHBondContact OG-CB 3.27Å; S130-A132 PolarHBondContact OG-N 3.43Å; S130-A132 VanDerWaalsContact OG-N 3.1Å; A132-M135 PolarHBondContact O-N 3.38Å; A132-W136 PolarHBondContact O-N 2.85Å
133L91.8Very high92Very high16 Ų1642.7 Ų42.78%0.08423%0.234CC..Hα-helixtrans-60.4-51.1175.2-175.9162.6000111.2P119 V122 Y129 S130 T131 M135 W136 G137P119-L133 HydrophobicContact CG-CB 4.35Å; P119-L133 HydrophobicContact CG-CG 3.97Å; V122-L133 HydrophobicContact CG2-CD1 4.06Å; Y129-L133 HydrophobicContact CD1-CD1 3.66Å; Y129-L133 HydrophobicContact CE1-CD1 4.16Å; S130-L133 PolarHBondContact O-N 2.95Å; T131-L133 PolarHBondContact O-N 3.46Å; L133-M135 PolarHBondContact O-N 3.38Å; L133-W136 PolarHBondContact O-N 3.28Å; L133-G137 PolarHBondContact O-N 3Å
134D94.4Very high92.3Very high0 Ų043.2 Ų43.20%024%0.237CC..Hα-helixtrans-66.5-31.3178.7-62.9-28.2000111L64 H68 H74 R75 L77 T131 G137 A138L64-D134 HydrophobicContact CD2-CB 3.93Å; H68-D134 IonicContact CD2-OD2 3.81Å; H68-D134 IonicContact CE1-OD2 2.78Å; H68-D134 IonicContact NE2-OD2 2.98Å; H68-D134 PolarHBondContact NE2-OD2 3.26Å; H74-D134 WeakPolarHBondContact CB-OD1 3.48Å; H74-D134 PolarHBondContact N-OD1 3.37Å; H74-D134 PolarHBondContact N-OD2 3.25Å; R75-D134 PolarHBondContact N-OD1 3.4Å; L77-D134 HydrophobicContact CD2-CB 4.3Å; T131-D134 PolarHBondContact O-N 2.94Å; D134-G137 PolarHBondContact O-N 3.31Å; D134-A138 WeakPolarHBondContact O-CB 3.03Å; D134-A138 PolarHBondContact O-N 3.12Å
135M97.9Very high92.6Very high85 Ų8543.3 Ų43.342%0.41924%0.237SC..Hα-helixtrans-68.8-36.9176.3-63.1-51-56.100112.8L61 L64 T131 A132 L133 A138 G139L61-M135 HydrophobicContact CD2-CE 3.7Å; L64-M135 HydrophobicContact CD1-SD 4.22Å; T131-M135 WeakPolarHBondContact O-CG 3.49Å; T131-M135 PolarHBondContact O-N 2.9Å; A132-M135 PolarHBondContact O-N 3.38Å; L133-M135 PolarHBondContact O-N 3.38Å; M135-A138 PolarHBondContact O-N 2.93Å; M135-G139 PolarHBondContact O-N 3.4Å
136W96.3Very high93.1Very high60 Ų6046.2 Ų46.223%0.22725%0.246CC..Hα-helixtrans-61.9-49.7171.9178-89.4000111R118 P119 P120 A132 L133 A138 G139 C140 F152 I165 L169R118-W136 PolarHBondContact O-NE1 2.9Å; P119-W136 VanDerWaalsContact CA-CD1 3.47Å; P119-W136 HydrophobicContact CB-CB 3.78Å; P119-W136 HydrophobicContact CB-CD2 3.98Å; P119-W136 HydrophobicContact CB-CG 3.55Å; P120-W136 HydrophobicContact CG-CE3 4.49Å; P120-W136 HydrophobicContact CG-CH2 4.03Å; P120-W136 HydrophobicContact CG-CZ2 4.48Å; P120-W136 HydrophobicContact CG-CZ3 4.04Å; A132-W136 PolarHBondContact O-N 2.85Å; L133-W136 PolarHBondContact O-N 3.28Å; W136-A138 VanDerWaalsContact C-N 3.29Å; W136-A138 PolarHBondContact O-N 3.18Å; W136-G139 WeakPolarHBondContact O-CA 3.37Å; W136-G139 PolarHBondContact O-N 3.47Å; W136-C140 PolarHBondContact O-N 2.97Å; W136-F152 HydrophobicContact CH2-CE2 4.22Å; W136-F152 HydrophobicContact CH2-CZ 4.44Å; W136-F152 HydrophobicContact CZ2-CD2 4.24Å; W136-F152 AromaticContact CZ2-CE2 3.6Å; W136-F152 HydrophobicContact CZ2-CE2 3.6Å; W136-F152 HydrophobicContact CZ2-CZ 4.23Å; W136-I165 HydrophobicContact CH2-CG2 3.68Å; W136-I165 HydrophobicContact CZ2-CD1 3.76Å; W136-I165 HydrophobicContact CZ2-CG1 4.01Å; W136-I165 HydrophobicContact CZ2-CG2 3.94Å; W136-L169 HydrophobicContact CH2-CD1 3.57Å; W136-L169 HydrophobicContact CZ3-CD1 4.01Å
137G95.5Very high93.4Very high1 Ų150 Ų501%0.0126%0.262CS..Hα-helixtrans-57.5-41.9176.200000112.4L133 D134 G139 C140 I141L133-G137 PolarHBondContact O-N 3Å; D134-G137 PolarHBondContact O-N 3.31Å; G137-G139 VanDerWaalsContact C-N 3.31Å; G137-G139 PolarHBondContact O-N 3.21Å; G137-C140 PolarHBondContact O-N 2.61Å; G137-I141 VanDerWaalsContact O-CG1 3.27Å; G137-I141 WeakPolarHBondContact O-CG1 3.41Å; G137-I141 PolarHBondContact O-N 3.42Å
138A98.2Very high94.1Very high2 Ų245 Ų452%0.01724%0.244CC..Hα-helixtrans-62-36.1173.700000112.9L60 L64 D134 M135 W136 F142L60-A138 HydrophobicContact CD2-CB 3.96Å; L64-A138 HydrophobicContact CD1-CB 3.92Å; D134-A138 WeakPolarHBondContact O-CB 3.03Å; D134-A138 PolarHBondContact O-N 3.12Å; M135-A138 PolarHBondContact O-N 2.93Å; W136-A138 VanDerWaalsContact C-N 3.29Å; W136-A138 PolarHBondContact O-N 3.18Å; A138-F142 WeakPolarHBondContact O-CB 3.15Å; A138-F142 PolarHBondContact O-N 3.19Å
139G98.1Very high94.6Very high29 Ų2940.1 Ų40.130%0.29923%0.229SC..Hα-helixtrans-65.5-45.1173.500000112.9M135 W136 G137 I141 F142 I143M135-G139 PolarHBondContact O-N 3.4Å; W136-G139 WeakPolarHBondContact O-CA 3.37Å; W136-G139 PolarHBondContact O-N 3.47Å; G137-G139 VanDerWaalsContact C-N 3.31Å; G137-G139 PolarHBondContact O-N 3.21Å; G139-I141 VanDerWaalsContact C-N 3.34Å; G139-I141 PolarHBondContact O-N 2.96Å; G139-F142 WeakPolarHBondContact O-CB 3.18Å; G139-F142 PolarHBondContact O-N 3.18Å; G139-I143 PolarHBondContact O-N 3.15Å; G139-I143 VanDerWaalsContact O-N 3.11Å
140C97.3Very high95.4Very high4 Ų438.5 Ų38.53%0.02723%0.227CC..Hα-helixtrans-58.4-46.6174.2-67.60000111.6Y117 W136 G137 F142 I143 E144 A151Y117-C140 HydrophobicContact CD1-CB 3.73Å; Y117-C140 HydrophobicContact CE1-CB 4.26Å; W136-C140 PolarHBondContact O-N 2.97Å; G137-C140 PolarHBondContact O-N 2.61Å; C140-F142 VanDerWaalsContact C-N 3.31Å; C140-F142 PolarHBondContact O-N 3.08Å; C140-I143 PolarHBondContact O-N 3Å; C140-E144 WeakPolarHBondContact O-CB 3.4Å; C140-E144 PolarHBondContact O-N 2.91Å; C140-A151 HydrophobicContact CB-CB 4.25Å
141I97.8Very high95.7Very high0 Ų037 Ų370%022%0.217CC..Hα-helixtrans-63.9-37.3178.5-67.5166.3000111.2L37 L77 P79 L82 Y117 G137 G139 E144 M145L37-I141 HydrophobicContact CD2-CG2 3.67Å; L77-I141 HydrophobicContact CB-CD1 4.27Å; L77-I141 HydrophobicContact CD1-CD1 3.98Å; P79-I141 HydrophobicContact CG-CG1 4.25Å; L82-I141 HydrophobicContact CD1-CD1 3.88Å; L82-I141 HydrophobicContact CD1-CG2 3.83Å; Y117-I141 HydrophobicContact CD1-CG1 4.12Å; Y117-I141 HydrophobicContact CE1-CG1 3.99Å; G137-I141 VanDerWaalsContact O-CG1 3.27Å; G137-I141 WeakPolarHBondContact O-CG1 3.41Å; G137-I141 PolarHBondContact O-N 3.42Å; G139-I141 VanDerWaalsContact C-N 3.34Å; G139-I141 PolarHBondContact O-N 2.96Å; I141-E144 PolarHBondContact O-N 3.03Å; I141-M145 HydrophobicContact CG2-CE 4.12Å; I141-M145 HydrophobicContact CG2-CG 4.48Å; I141-M145 WeakPolarHBondContact O-CB 3.41Å; I141-M145 WeakPolarHBondContact O-CG 3.23Å; I141-M145 PolarHBondContact O-N 3.22Å
142F98.6Very high95.7Very high88 Ų8835.4 Ų35.439%0.38621%0.206SC..Hα-helixtrans-60.8-49175.9179.8-149000111.9V53 M57 A138 G139 C140 E144 M145 L146V53-F142 HydrophobicContact CG1-CD2 3.51Å; V53-F142 HydrophobicContact CG1-CE2 3.45Å; V53-F142 VanDerWaalsContact CG1-CE2 3.45Å; M57-F142 HydrophobicContact CE-CB 3.84Å; M57-F142 HydrophobicContact CE-CG 4.24Å; M57-F142 HydrophobicContact CG-CB 4.24Å; M57-F142 HydrophobicContact CG-CD2 3.63Å; M57-F142 HydrophobicContact CG-CE2 4.28Å; M57-F142 HydrophobicContact CG-CG 4.06Å; M57-F142 HydrophobicContact SD-CB 3.6Å; M57-F142 VanDerWaalsContact SD-CB 3.6Å; M57-F142 HydrophobicContact SD-CD2 4.17Å; M57-F142 HydrophobicContact SD-CG 4.08Å; A138-F142 WeakPolarHBondContact O-CB 3.15Å; A138-F142 PolarHBondContact O-N 3.19Å; G139-F142 WeakPolarHBondContact O-CB 3.18Å; G139-F142 PolarHBondContact O-N 3.18Å; C140-F142 VanDerWaalsContact C-N 3.31Å; C140-F142 PolarHBondContact O-N 3.08Å; F142-E144 VanDerWaalsContact C-N 3.33Å; F142-M145 PolarHBondContact O-N 2.91Å; F142-L146 HydrophobicContact CD2-CD1 4.06Å; F142-L146 HydrophobicContact CD2-CG 4.27Å; F142-L146 HydrophobicContact CE1-CD1 4.44Å; F142-L146 HydrophobicContact CE2-CD1 3.64Å; F142-L146 HydrophobicContact CE2-CD2 4.31Å; F142-L146 HydrophobicContact CE2-CG 3.99Å; F142-L146 HydrophobicContact CZ-CD1 3.86Å; F142-L146 WeakPolarHBondContact O-CG 3.45Å; F142-L146 PolarHBondContact O-N 3.06Å
143I97.5Very high95.3Very high69 Ų6935.1 Ų35.135%0.35421%0.205SC..Hα-helixtrans-61.8-44.9177.6-67168.2000110.1G139 C140 M145 L146 Q147 A151G139-I143 PolarHBondContact O-N 3.15Å; G139-I143 VanDerWaalsContact O-N 3.11Å; C140-I143 PolarHBondContact O-N 3Å; I143-M145 VanDerWaalsContact C-N 3.34Å; I143-M145 PolarHBondContact O-N 3.35Å; I143-L146 WeakPolarHBondContact O-CB 3.22Å; I143-L146 PolarHBondContact O-N 3.41Å; I143-Q147 WeakPolarHBondContact O-CG 3.28Å; I143-Q147 PolarHBondContact O-N 3.35Å; I143-A151 HydrophobicContact CB-CB 3.95Å; I143-A151 HydrophobicContact CD1-CB 4.21Å; I143-A151 HydrophobicContact CG2-CB 3.79Å
144E96.8Very high94.4Very high17 Ų1736.5 Ų36.58%0.07922%0.223CC..Hα-helixtrans-61.7-40.6179.5-178.6171.1179.800112.8M41 Y117 C140 I141 F142 L146 Q147 G148 A149M41-E144 HydrophobicContact CE-CG 3.71Å; M41-E144 WeakPolarHBondContact CE-OE1 3.21Å; M41-E144 HydrophobicContact SD-CG 3.97Å; Y117-E144 WeakPolarHBondContact CE1-OE2 3.48Å; Y117-E144 PolarHBondContact OH-OE2 3.01Å; C140-E144 WeakPolarHBondContact O-CB 3.4Å; C140-E144 PolarHBondContact O-N 2.91Å; I141-E144 PolarHBondContact O-N 3.03Å; F142-E144 VanDerWaalsContact C-N 3.33Å; E144-L146 VanDerWaalsContact C-N 3.25Å; E144-L146 PolarHBondContact O-N 3.32Å; E144-Q147 PolarHBondContact O-N 3.11Å; E144-G148 VanDerWaalsContact O-CA 3.3Å; E144-G148 WeakPolarHBondContact O-CA 3.35Å; E144-G148 PolarHBondContact O-N 2.91Å; E144-A149 VanDerWaalsContact CA-O 3.31Å; E144-A149 WeakPolarHBondContact CA-O 3.36Å
145M98.4Very high93.4Very high2 Ų237.1 Ų37.11%0.0123%0.228CC..Hα-helixtrans-63-30.2172.9-75.9-169.3-66.400113.1L37 M41 L48 V53 F56 M57 I141 F142 I143L37-M145 HydrophobicContact CD1-CG 4.15Å; L37-M145 HydrophobicContact CD1-SD 4.04Å; L37-M145 HydrophobicContact CD2-CG 3.96Å; L37-M145 HydrophobicContact CD2-SD 3.89Å; M41-M145 HydrophobicContact SD-CB 4.48Å; M41-M145 HydrophobicContact SD-CG 3.86Å; L48-M145 HydrophobicContact CD1-CB 4.12Å; L48-M145 HydrophobicContact CD1-CG 3.88Å; L48-M145 HydrophobicContact CD1-SD 4.04Å; L48-M145 HydrophobicContact CG-CB 4.46Å; L48-M145 PolarHBondContact N-O 3.33Å; V53-M145 HydrophobicContact CG1-CB 4.08Å; V53-M145 HydrophobicContact CG1-CE 4.11Å; V53-M145 HydrophobicContact CG2-CB 4.08Å; F56-M145 HydrophobicContact CB-CE 4.32Å; F56-M145 HydrophobicContact CB-SD 3.83Å; F56-M145 HydrophobicContact CD2-SD 3.96Å; F56-M145 HydrophobicContact CG-SD 4.42Å; M57-M145 HydrophobicContact CG-CE 3.55Å; M57-M145 HydrophobicContact SD-CE 3.37Å; M57-M145 WeakPolarHBondContact SD-CE 3.38Å; I141-M145 HydrophobicContact CG2-CE 4.12Å; I141-M145 HydrophobicContact CG2-CG 4.48Å; I141-M145 WeakPolarHBondContact O-CB 3.41Å; I141-M145 WeakPolarHBondContact O-CG 3.23Å; I141-M145 PolarHBondContact O-N 3.22Å; F142-M145 PolarHBondContact O-N 2.91Å; I143-M145 VanDerWaalsContact C-N 3.34Å; I143-M145 PolarHBondContact O-N 3.35Å
146L97.9Very high92.6Very high85 Ų8537.9 Ų37.945%0.44524%0.242SC..Hα-helixtrans-77.9-37.3179.4-72.1169000112.9V53 F142 I143 E144V53-L146 HydrophobicContact CB-CD2 4.44Å; V53-L146 HydrophobicContact CG1-CD2 4.04Å; V53-L146 HydrophobicContact CG1-CG 4.19Å; V53-L146 HydrophobicContact CG2-CD2 4.17Å; F142-L146 HydrophobicContact CD2-CD1 4.06Å; F142-L146 HydrophobicContact CD2-CG 4.27Å; F142-L146 HydrophobicContact CE1-CD1 4.44Å; F142-L146 HydrophobicContact CE2-CD1 3.64Å; F142-L146 HydrophobicContact CE2-CD2 4.31Å; F142-L146 HydrophobicContact CE2-CG 3.99Å; F142-L146 HydrophobicContact CZ-CD1 3.86Å; F142-L146 WeakPolarHBondContact O-CG 3.45Å; F142-L146 PolarHBondContact O-N 3.06Å; I143-L146 WeakPolarHBondContact O-CB 3.22Å; I143-L146 PolarHBondContact O-N 3.41Å; E144-L146 VanDerWaalsContact C-N 3.25Å; E144-L146 PolarHBondContact O-N 3.32Å
147Q95.5Very high92.2Very high93 Ų9338.4 Ų38.444%0.43525%0.25SC..Hα-helixtrans-106-14-173.373.8-171.6-3.500114.2G46 I143 E144 A149 P150G46-Q147 CarbonylContact C-O 3.52Å; I143-Q147 WeakPolarHBondContact O-CG 3.28Å; I143-Q147 PolarHBondContact O-N 3.35Å; E144-Q147 PolarHBondContact O-N 3.11Å; Q147-A149 VanDerWaalsContact C-N 3.29Å; Q147-A149 HydrophobicContact CG-CB 4.3Å; Q147-A149 WeakPolarHBondContact CG-O 3.43Å; Q147-A149 PolarHBondContact NE2-O 2.87Å; Q147-A149 PolarHBondContact O-N 3.39Å; Q147-P150 PolarHBondContact NE2-O 2.79Å
148G94.9Very high91.8Very high29 Ų2942.4 Ų42.430%0.29927%0.268SS..SBendtrans75.912.8-177.700000114.5E144E144-G148 VanDerWaalsContact O-CA 3.3Å; E144-G148 WeakPolarHBondContact O-CA 3.35Å; E144-G148 PolarHBondContact O-N 2.91Å
149A92.3Very high91.4Very high46 Ų4645.8 Ų45.838%0.3829%0.285SS..SBendtrans-142.5150.7179.100000110.5E144 Q147E144-A149 VanDerWaalsContact CA-O 3.31Å; E144-A149 WeakPolarHBondContact CA-O 3.36Å; Q147-A149 VanDerWaalsContact C-N 3.29Å; Q147-A149 HydrophobicContact CG-CB 4.3Å; Q147-A149 WeakPolarHBondContact CG-O 3.43Å; Q147-A149 PolarHBondContact NE2-O 2.87Å; Q147-A149 PolarHBondContact O-N 3.39Å
150P92.1Very high90.9Very high31 Ų3147.5 Ų47.520%0.20129%0.286CS..  trans-57142.3-177.5-20.829.2000112.5W116 Q147 F152 A153W116-P150 HydrophobicContact CD2-CB 4.33Å; W116-P150 HydrophobicContact CE3-CB 3.62Å; W116-P150 HydrophobicContact CE3-CG 3.51Å; W116-P150 HydrophobicContact CH2-CG 4.22Å; W116-P150 HydrophobicContact CZ3-CB 3.99Å; W116-P150 HydrophobicContact CZ3-CG 3.33Å; Q147-P150 PolarHBondContact NE2-O 2.79Å; P150-F152 VanDerWaalsContact C-N 3.3Å; P150-F152 PolarHBondContact O-N 3.3Å; P150-A153 HydrophobicContact CB-CB 4.13Å; P150-A153 HydrophobicContact CG-CB 4.34Å
151A92.9Very high90.7Very high19 Ų1947.3 Ų47.316%0.15728%0.284CS..THydrogen-bonded Turntrans-60.1-39.3-178.900000113C140 I143C140-A151 HydrophobicContact CB-CB 4.25Å; I143-A151 HydrophobicContact CB-CB 3.95Å; I143-A151 HydrophobicContact CD1-CB 4.21Å; I143-A151 HydrophobicContact CG2-CB 3.79Å
152F92.6Very high90.4Very high12 Ų1247.7 Ų47.75%0.05329%0.286CS..THydrogen-bonded Turntrans-136.973.7-177.9-52-66.4000109.7W136 P150 Q161 N164 I165 V168 L169W136-F152 HydrophobicContact CH2-CE2 4.22Å; W136-F152 HydrophobicContact CH2-CZ 4.44Å; W136-F152 HydrophobicContact CZ2-CD2 4.24Å; W136-F152 AromaticContact CZ2-CE2 3.6Å; W136-F152 HydrophobicContact CZ2-CE2 3.6Å; W136-F152 HydrophobicContact CZ2-CZ 4.23Å; P150-F152 VanDerWaalsContact C-N 3.3Å; P150-F152 PolarHBondContact O-N 3.3Å; F152-Q161 PolarHBondContact O-NE2 2.85Å; F152-Q161 PolarHBondContact O-OE1 2.94Å; F152-N164 HydrophobicContact CB-CB 4.45Å; F152-I165 HydrophobicContact CB-CG1 4.29Å; F152-I165 HydrophobicContact CD1-CB 4.4Å; F152-I165 HydrophobicContact CD1-CG1 3.93Å; F152-I165 HydrophobicContact CD2-CG1 3.9Å; F152-I165 HydrophobicContact CE1-CB 4.38Å; F152-I165 HydrophobicContact CE1-CG1 4.21Å; F152-I165 HydrophobicContact CE2-CG1 4.18Å; F152-I165 HydrophobicContact CG-CG1 3.77Å; F152-I165 HydrophobicContact CZ-CG1 4.32Å; F152-I165 HydrophobicContact CZ-CG2 4.47Å; F152-V168 HydrophobicContact CD1-CG2 4.36Å; F152-V168 HydrophobicContact CE1-CB 3.97Å; F152-V168 HydrophobicContact CE1-CG1 4.42Å; F152-V168 HydrophobicContact CE1-CG2 3.98Å; F152-L169 HydrophobicContact CZ-CD1 4.34Å; F152-L169 HydrophobicContact CZ-CG 4.49Å
153A85.1Confident90Very high50 Ų5045.9 Ų45.941%0.41328%0.279SS..  trans-77.4155.817900000112.2W116 P150 N164W116-A153 HydrophobicContact CZ2-CB 4.48Å; P150-A153 HydrophobicContact CB-CB 4.13Å; P150-A153 HydrophobicContact CG-CB 4.34Å; A153-N164 PolarHBondContact O-ND2 3.42Å; A153-N164 VanDerWaalsContact O-ND2 3.08Å
154G71.8Confident89.7Confident45 Ų4544.8 Ų44.846%0.46427%0.274SS..  trans92.44.7159.600000117.8S156G154-S156 PolarHBondContact O-N 3.44Å
155G74.4Confident89.6Confident12 Ų1244 Ų4412%0.12427%0.271CS..  trans-70.2113.2171.900000112N164G155-N164 PolarHBondContact N-ND2 3.14Å
156S80.8Confident89.3Confident101 Ų10144.9 Ų44.971%0.70627%0.273SS*.SBendtrans-77.6-22.917265.10000112.8G154 E160G154-S156 PolarHBondContact O-N 3.44Å; S156-E160 WeakPolarHBondContact CB-OE2 3.3Å; S156-E160 PolarHBondContact N-OE2 3.45Å; S156-E160 PolarHBondContact OG-OE2 3.37Å
157D86.9Confident89Confident72 Ų7246.5 Ų46.539%0.38529%0.287SS..SBendtrans-143.2175.5173.46440.4000111.9L115 L159 E160 Q161L115-D157 WeakPolarHBondContact CD1-O 3.42Å; D157-L159 VanDerWaalsContact C-N 3.25Å; D157-L159 PolarHBondContact O-N 3.26Å; D157-L159 WeakPolarHBondContact OD1-CA 3.49Å; D157-L159 WeakPolarHBondContact OD1-CB 3.42Å; D157-L159 PolarHBondContact OD1-N 3.22Å; D157-E160 PolarHBondContact O-N 2.91Å; D157-E160 PolarHBondContact OD1-N 3.42Å; D157-Q161 WeakPolarHBondContact O-CB 3.37Å; D157-Q161 PolarHBondContact O-N 2.64Å
158E88.4Confident88.8Confident85 Ų8546.9 Ų46.940%0.39730%0.296SS..Hα-helixtrans-61-31.2-179.7-71.786.7178.400113.9L115 R118 L123 L162L115-E158 HydrophobicContact CD2-CG 4.45Å; R118-E158 IonicContact NH1-OE1 3.64Å; R118-E158 PolarHBondContact NH1-OE1 3.07Å; R118-E158 VanDerWaalsContact NH1-OE1 3.08Å; L123-E158 HydrophobicContact CD2-CB 3.84Å; L123-E158 HydrophobicContact CD2-CG 3.68Å; E158-L162 WeakPolarHBondContact O-CG 3.44Å; E158-L162 PolarHBondContact O-N 3.32Å
159L88.6Confident88.7Confident72 Ų7250.7 Ų50.738%0.37731%0.309SS..Hα-helixtrans-72.6-47.6-178.718067.7000110.6D157 Q161 L162 Q163 L191D157-L159 VanDerWaalsContact C-N 3.25Å; D157-L159 PolarHBondContact O-N 3.26Å; D157-L159 WeakPolarHBondContact OD1-CA 3.49Å; D157-L159 WeakPolarHBondContact OD1-CB 3.42Å; D157-L159 PolarHBondContact OD1-N 3.22Å; L159-Q161 VanDerWaalsContact C-N 3.27Å; L159-Q161 PolarHBondContact O-N 3.29Å; L159-L162 WeakPolarHBondContact O-CB 3.26Å; L159-L162 PolarHBondContact O-N 2.92Å; L159-Q163 WeakPolarHBondContact O-CG 3.31Å; L159-Q163 PolarHBondContact O-N 3.36Å; L159-L191 HydrophobicContact CD1-CD2 3.62Å; L159-L191 HydrophobicContact CD1-CG 4.42Å; L159-L191 HydrophobicContact CG-CD2 4.43Å
160E88.9Confident88.6Confident66 Ų6650.4 Ų50.431%0.30831%0.31SS..Hα-helixtrans-62.6-38175.7-169.8176.4-161.400110.8S156 D157 L162 Q163 N164S156-E160 WeakPolarHBondContact CB-OE2 3.3Å; S156-E160 PolarHBondContact N-OE2 3.45Å; S156-E160 PolarHBondContact OG-OE2 3.37Å; D157-E160 PolarHBondContact O-N 2.91Å; D157-E160 PolarHBondContact OD1-N 3.42Å; E160-L162 PolarHBondContact O-N 3.15Å; E160-Q163 WeakPolarHBondContact O-CB 3.41Å; E160-Q163 PolarHBondContact O-N 2.85Å; E160-N164 PolarHBondContact O-N 3.22Å; E160-N164 PolarHBondContact O-ND2 2.98Å
161Q92.1Very high88.7Confident0 Ų052.2 Ų52.20%032%0.32CS..Hα-helixtrans-62.9-41.4174.5-170.462.528.200112.4L115 L123 F152 D157 L159 Q163 N164 I165L115-Q161 HydrophobicContact CB-CB 4.18Å; L115-Q161 HydrophobicContact CB-CG 3.93Å; L115-Q161 HydrophobicContact CD1-CB 4.37Å; L123-Q161 HydrophobicContact CD1-CB 4.16Å; L123-Q161 HydrophobicContact CD1-CG 3.73Å; L123-Q161 HydrophobicContact CD2-CB 4.19Å; L123-Q161 HydrophobicContact CD2-CG 4.23Å; F152-Q161 PolarHBondContact O-NE2 2.85Å; F152-Q161 PolarHBondContact O-OE1 2.94Å; D157-Q161 WeakPolarHBondContact O-CB 3.37Å; D157-Q161 PolarHBondContact O-N 2.64Å; L159-Q161 VanDerWaalsContact C-N 3.27Å; L159-Q161 PolarHBondContact O-N 3.29Å; Q161-Q163 VanDerWaalsContact C-N 3.35Å; Q161-N164 PolarHBondContact O-N 2.83Å; Q161-I165 HydrophobicContact CG-CD1 4.43Å; Q161-I165 WeakPolarHBondContact O-CG1 3.33Å; Q161-I165 PolarHBondContact O-N 3.23Å; Q161-I165 VanDerWaalsContact O-N 3.14Å
162L92.2Very high88.7Confident7 Ų752 Ų524%0.03732%0.317CS..Hα-helixtrans-62.7-40.7174-80.5167.2000111.9P120 L123 M124 E158 L159 E160 N164 I165 W166P120-L162 HydrophobicContact CB-CD2 3.88Å; L123-L162 HydrophobicContact CB-CD1 3.91Å; L123-L162 HydrophobicContact CB-CD2 3.76Å; L123-L162 HydrophobicContact CB-CG 3.64Å; L123-L162 HydrophobicContact CD1-CD2 4Å; L123-L162 HydrophobicContact CD1-CG 4.01Å; L123-L162 HydrophobicContact CG-CG 4.41Å; M124-L162 HydrophobicContact CG-CD1 3.71Å; M124-L162 HydrophobicContact CG-CD2 4.02Å; E158-L162 WeakPolarHBondContact O-CG 3.44Å; E158-L162 PolarHBondContact O-N 3.32Å; L159-L162 WeakPolarHBondContact O-CB 3.26Å; L159-L162 PolarHBondContact O-N 2.92Å; E160-L162 PolarHBondContact O-N 3.15Å; L162-N164 VanDerWaalsContact C-N 3.34Å; L162-N164 PolarHBondContact O-N 3.4Å; L162-I165 PolarHBondContact O-N 3.46Å; L162-W166 HydrophobicContact CB-CD2 4.46Å; L162-W166 HydrophobicContact CB-CE3 4.03Å; L162-W166 HydrophobicContact CB-CH2 4.04Å; L162-W166 HydrophobicContact CB-CZ2 4.47Å; L162-W166 HydrophobicContact CB-CZ3 3.68Å; L162-W166 HydrophobicContact CD1-CH2 4.12Å; L162-W166 HydrophobicContact CD1-CZ3 4.45Å; L162-W166 HydrophobicContact CD2-CH2 4.12Å; L162-W166 HydrophobicContact CD2-CZ2 3.89Å; L162-W166 HydrophobicContact CG-CH2 4.33Å; L162-W166 HydrophobicContact CG-CZ3 4.45Å; L162-W166 PolarHBondContact O-N 3.47Å
163Q90.1Very high88.7Confident50 Ų5053.8 Ų53.823%0.23433%0.331CS..Hα-helixtrans-59.3-44.4175.2-71.2171.5-14.700111.8L159 E160 Q161 I165 W166 T167 L191L159-Q163 WeakPolarHBondContact O-CG 3.31Å; L159-Q163 PolarHBondContact O-N 3.36Å; E160-Q163 WeakPolarHBondContact O-CB 3.41Å; E160-Q163 PolarHBondContact O-N 2.85Å; Q161-Q163 VanDerWaalsContact C-N 3.35Å; Q163-I165 VanDerWaalsContact C-N 3.31Å; Q163-I165 PolarHBondContact O-N 3.2Å; Q163-W166 PolarHBondContact O-N 2.97Å; Q163-T167 WeakPolarHBondContact O-CB 3.5Å; Q163-T167 PolarHBondContact O-N 3.17Å; Q163-T167 PolarHBondContact O-OG1 3.11Å; Q163-L191 HydrophobicContact CG-CD2 3.26Å
164N91.3Very high89.2Confident46 Ų4655.1 Ų55.125%0.24633%0.329CS..Hα-helixtrans-60.6-41.4176.8-69-29.9000111.7F152 A153 G155 E160 Q161 L162F152-N164 HydrophobicContact CB-CB 4.45Å; A153-N164 PolarHBondContact O-ND2 3.42Å; A153-N164 VanDerWaalsContact O-ND2 3.08Å; G155-N164 PolarHBondContact N-ND2 3.14Å; E160-N164 PolarHBondContact O-N 3.22Å; E160-N164 PolarHBondContact O-ND2 2.98Å; Q161-N164 PolarHBondContact O-N 2.83Å; L162-N164 VanDerWaalsContact C-N 3.34Å; L162-N164 PolarHBondContact O-N 3.4Å
165I94.3Very high90.2Very high2 Ų260.5 Ų60.51%0.0135%0.347CS..Hα-helixtrans-64.6-49176.7-67.1166.1000111L123 W136 F152 Q161 L162 Q163 T167 V168 L169L123-I165 HydrophobicContact CD1-CD1 3.62Å; W136-I165 HydrophobicContact CH2-CG2 3.68Å; W136-I165 HydrophobicContact CZ2-CD1 3.76Å; W136-I165 HydrophobicContact CZ2-CG1 4.01Å; W136-I165 HydrophobicContact CZ2-CG2 3.94Å; F152-I165 HydrophobicContact CB-CG1 4.29Å; F152-I165 HydrophobicContact CD1-CB 4.4Å; F152-I165 HydrophobicContact CD1-CG1 3.93Å; F152-I165 HydrophobicContact CD2-CG1 3.9Å; F152-I165 HydrophobicContact CE1-CB 4.38Å; F152-I165 HydrophobicContact CE1-CG1 4.21Å; F152-I165 HydrophobicContact CE2-CG1 4.18Å; F152-I165 HydrophobicContact CG-CG1 3.77Å; F152-I165 HydrophobicContact CZ-CG1 4.32Å; F152-I165 HydrophobicContact CZ-CG2 4.47Å; Q161-I165 HydrophobicContact CG-CD1 4.43Å; Q161-I165 WeakPolarHBondContact O-CG1 3.33Å; Q161-I165 PolarHBondContact O-N 3.23Å; Q161-I165 VanDerWaalsContact O-N 3.14Å; L162-I165 PolarHBondContact O-N 3.46Å; Q163-I165 VanDerWaalsContact C-N 3.31Å; Q163-I165 PolarHBondContact O-N 3.2Å; I165-T167 VanDerWaalsContact C-N 3.3Å; I165-T167 PolarHBondContact O-N 3.04Å; I165-V168 PolarHBondContact O-N 3.46Å; I165-V168 VanDerWaalsContact O-N 3.15Å; I165-L169 HydrophobicContact CG2-CD1 3.93Å; I165-L169 HydrophobicContact CG2-CG 4.48Å; I165-L169 PolarHBondContact O-N 2.82Å
166W92.3Very high91.1Very high19 Ų1963.8 Ų63.87%0.07237%0.368CS..Hα-helixtrans-71.1-23.7-176.9-65.4-28.2000114M124 L162 Q163 V168 G170 V171 P172 L191M124-W166 HydrophobicContact CE-CZ2 4.43Å; M124-W166 HydrophobicContact SD-CH2 4.28Å; M124-W166 HydrophobicContact SD-CZ2 3.86Å; L162-W166 HydrophobicContact CB-CD2 4.46Å; L162-W166 HydrophobicContact CB-CE3 4.03Å; L162-W166 HydrophobicContact CB-CH2 4.04Å; L162-W166 HydrophobicContact CB-CZ2 4.47Å; L162-W166 HydrophobicContact CB-CZ3 3.68Å; L162-W166 HydrophobicContact CD1-CH2 4.12Å; L162-W166 HydrophobicContact CD1-CZ3 4.45Å; L162-W166 HydrophobicContact CD2-CH2 4.12Å; L162-W166 HydrophobicContact CD2-CZ2 3.89Å; L162-W166 HydrophobicContact CG-CH2 4.33Å; L162-W166 HydrophobicContact CG-CZ3 4.45Å; L162-W166 PolarHBondContact O-N 3.47Å; Q163-W166 PolarHBondContact O-N 2.97Å; W166-V168 PolarHBondContact O-N 3.36Å; W166-G170 CarbonylContact O-C 3.41Å; W166-G170 WeakPolarHBondContact O-CA 3.14Å; W166-G170 PolarHBondContact O-N 3.49Å; W166-V171 HydrophobicContact CB-CG2 3.98Å; W166-V171 HydrophobicContact CD2-CG2 4.41Å; W166-V171 HydrophobicContact CG-CG2 4.24Å; W166-P172 VanDerWaalsContact CD1-CD 3.48Å; W166-P172 HydrophobicContact CZ2-CG 4.24Å; W166-L191 HydrophobicContact CE3-CD1 3.57Å; W166-L191 HydrophobicContact CE3-CD2 3.72Å; W166-L191 HydrophobicContact CE3-CG 4.08Å; W166-L191 HydrophobicContact CH2-CD1 3.62Å; W166-L191 HydrophobicContact CZ3-CD1 2.93Å; W166-L191 HydrophobicContact CZ3-CD2 3.37Å; W166-L191 HydrophobicContact CZ3-CG 3.65Å
167T90.9Very high91.8Very high120 Ų12063.1 Ų63.174%0.73635%0.35SS*.Hα-helixtrans-60.5-33171-60.70000111.5Q163 I165Q163-T167 WeakPolarHBondContact O-CB 3.5Å; Q163-T167 PolarHBondContact O-N 3.17Å; Q163-T167 PolarHBondContact O-OG1 3.11Å; I165-T167 VanDerWaalsContact C-N 3.3Å; I165-T167 PolarHBondContact O-N 3.04Å
168V91.3Very high92.2Very high100 Ų10064.5 Ų64.561%0.60636%0.363SS*.Hα-helixtrans-94.5-43.9-178.8-177.50000112F152 I165 W166F152-V168 HydrophobicContact CD1-CG2 4.36Å; F152-V168 HydrophobicContact CE1-CB 3.97Å; F152-V168 HydrophobicContact CE1-CG1 4.42Å; F152-V168 HydrophobicContact CE1-CG2 3.98Å; I165-V168 PolarHBondContact O-N 3.46Å; I165-V168 VanDerWaalsContact O-N 3.15Å; W166-V168 PolarHBondContact O-N 3.36Å
169L92.5Very high92.4Very high110 Ų11061.6 Ų61.658%0.57636%0.356SS*.Hα-helixtrans-98-10.3-171.8-59.6-176.3000114.2W136 F152 I165W136-L169 HydrophobicContact CH2-CD1 3.57Å; W136-L169 HydrophobicContact CZ3-CD1 4.01Å; F152-L169 HydrophobicContact CZ-CD1 4.34Å; F152-L169 HydrophobicContact CZ-CG 4.49Å; I165-L169 HydrophobicContact CG2-CD1 3.93Å; I165-L169 HydrophobicContact CG2-CG 4.48Å; I165-L169 PolarHBondContact O-N 2.82Å
170G91.8Very high92.6Very high39 Ų3958.1 Ų58.140%0.40234%0.338SS..  trans84157.2-169.200000112.9W166W166-G170 CarbonylContact O-C 3.41Å; W166-G170 WeakPolarHBondContact O-CA 3.14Å; W166-G170 PolarHBondContact O-N 3.49Å
171V93.1Very high92.8Very high70 Ų7058.2 Ų58.242%0.42435%0.346SS..  trans-74.4124.8173.4-177.70000108.5W166 P188W166-V171 HydrophobicContact CB-CG2 3.98Å; W166-V171 HydrophobicContact CD2-CG2 4.41Å; W166-V171 HydrophobicContact CG-CG2 4.24Å; V171-P188 HydrophobicContact CG1-CB 4.06Å
172P93.6Very high92.9Very high14 Ų1465.2 Ų65.29%0.09138%0.382CS..  trans-68.6139.9-179.727.4-33.8000110.4W166 S176 W177 V180 Y186W166-P172 VanDerWaalsContact CD1-CD 3.48Å; W166-P172 HydrophobicContact CZ2-CG 4.24Å; P172-S176 WeakPolarHBondContact CA-OG 3.47Å; P172-W177 HydrophobicContact CB-CB 4.16Å; P172-W177 HydrophobicContact CB-CE3 4.01Å; P172-W177 HydrophobicContact CG-CE3 4.2Å; P172-V180 HydrophobicContact CB-CG2 4.25Å; P172-V180 HydrophobicContact CG-CG2 3.96Å; P172-Y186 HydrophobicContact CG-CE2 4.16Å; P172-Y186 PolarHBondContact O-OH 3.41Å
173S93.3Very high92.9Very high49 Ų4966.2 Ų66.234%0.34339%0.388SS..  trans-111171.8165.870.70000110.4D175 S176 W177S173-D175 PolarHBondContact O-N 3.43Å; S173-D175 PolarHBondContact OG-N 2.78Å; S173-S176 PolarHBondContact N-OG 3.01Å; S173-S176 PolarHBondContact O-N 3.49Å; S173-S176 VanDerWaalsContact O-N 3.12Å; S173-S176 PolarHBondContact O-OG 3.17Å; S173-S176 PolarHBondContact OG-N 3.43Å; S173-W177 PolarHBondContact O-N 2.93Å
174E93.7Very high92.9Very high78 Ų7868.2 Ų68.236%0.36441%0.405SS..THydrogen-bonded Turntrans-58.1-24.5171.9-73.3-62.7143.700113.4P178 G179 V180 S181E174-P178 WeakPolarHBondContact O-CA 3.38Å; E174-P178 WeakPolarHBondContact O-CG 3.48Å; E174-G179 PolarHBondContact OE2-N 2.84Å; E174-V180 PolarHBondContact OE1-N 2.94Å; E174-S181 WeakPolarHBondContact OE1-CB 3.06Å; E174-S181 PolarHBondContact OE1-N 3.32Å; E174-S181 PolarHBondContact OE1-OG 3.04Å
175D94.6Very high92.8Very high158 Ų15870.1 Ų70.185%0.84542%0.415SS*.THydrogen-bonded Turntrans-73.7-42.5175.5-59.8-41000111.6S173S173-D175 PolarHBondContact O-N 3.43Å; S173-D175 PolarHBondContact OG-N 2.78Å
176S93.5Very high92.6Very high82 Ų8272 Ų7257%0.57342%0.423SS*.THydrogen-bonded Turntrans-80.7-30.6-18062.20000113.5P172 S173P172-S176 WeakPolarHBondContact CA-OG 3.47Å; S173-S176 PolarHBondContact N-OG 3.01Å; S173-S176 PolarHBondContact O-N 3.49Å; S173-S176 VanDerWaalsContact O-N 3.12Å; S173-S176 PolarHBondContact O-OG 3.17Å; S173-S176 PolarHBondContact OG-N 3.43Å
177W94Very high92.3Very high87 Ų8777.4 Ų77.433%0.3344%0.443SS..SBendtrans-146.786.7-177.8-174.1-7.9000109.4P120 D121 M124 P172 S173 G179 V180 L183P120-W177 HydrophobicContact CB-CH2 4.47Å; P120-W177 HydrophobicContact CB-CZ3 4.19Å; P120-W177 HydrophobicContact CG-CH2 4.17Å; P120-W177 HydrophobicContact CG-CZ3 3.95Å; D121-W177 HydrophobicContact CB-CH2 3.69Å; D121-W177 HydrophobicContact CB-CZ2 3.84Å; M124-W177 HydrophobicContact CE-CH2 3.81Å; M124-W177 HydrophobicContact CE-CZ3 3.63Å; P172-W177 HydrophobicContact CB-CB 4.16Å; P172-W177 HydrophobicContact CB-CE3 4.01Å; P172-W177 HydrophobicContact CG-CE3 4.2Å; S173-W177 PolarHBondContact O-N 2.93Å; W177-G179 PolarHBondContact O-N 2.8Å; W177-V180 HydrophobicContact CB-CB 4.15Å; W177-V180 HydrophobicContact CD2-CB 4.11Å; W177-V180 HydrophobicContact CD2-CG2 4.06Å; W177-V180 HydrophobicContact CE3-CB 4.45Å; W177-V180 HydrophobicContact CE3-CG2 3.93Å; W177-V180 HydrophobicContact CG-CB 3.97Å; W177-V180 HydrophobicContact CG-CG2 4.42Å; W177-V180 HydrophobicContact CZ3-CG2 4.4Å; W177-V180 WeakPolarHBondContact O-CB 3.39Å; W177-V180 WeakPolarHBondContact O-CG1 3.43Å; W177-V180 PolarHBondContact O-N 3.32Å; W177-V180 VanDerWaalsContact O-N 3.14Å; W177-L183 HydrophobicContact CH2-CD1 4.27Å; W177-L183 HydrophobicContact CZ2-CD1 4.18Å
178P94.9Very high91.7Very high100 Ų10073.9 Ų73.965%0.64942%0.422SS*.THydrogen-bonded Turntrans-57.1128.7176.1-25.734.2000111.8E174E174-P178 WeakPolarHBondContact O-CA 3.38Å; E174-P178 WeakPolarHBondContact O-CG 3.48Å
179G92.8Very high90.7Very high24 Ų2471.5 Ų71.525%0.24742%0.418CS..THydrogen-bonded Turntrans89.14-178.200000115.1E174 W177 S181 L182E174-G179 PolarHBondContact OE2-N 2.84Å; W177-G179 PolarHBondContact O-N 2.8Å; G179-S181 PolarHBondContact O-N 3.33Å; G179-L182 WeakPolarHBondContact O-CB 3.38Å; G179-L182 PolarHBondContact O-N 3.1Å; G179-L182 VanDerWaalsContact O-N 3.08Å
180V93.6Very high89.3Confident0 Ų071.3 Ų71.30%041%0.414CS..G310 helixtrans-61.5-33.117870.80000112.1M124 P172 E174 W177 L182 L183 Y186M124-V180 HydrophobicContact CE-CG2 4.07Å; M124-V180 HydrophobicContact SD-CG2 4.29Å; P172-V180 HydrophobicContact CB-CG2 4.25Å; P172-V180 HydrophobicContact CG-CG2 3.96Å; E174-V180 PolarHBondContact OE1-N 2.94Å; W177-V180 HydrophobicContact CB-CB 4.15Å; W177-V180 HydrophobicContact CD2-CB 4.11Å; W177-V180 HydrophobicContact CD2-CG2 4.06Å; W177-V180 HydrophobicContact CE3-CB 4.45Å; W177-V180 HydrophobicContact CE3-CG2 3.93Å; W177-V180 HydrophobicContact CG-CB 3.97Å; W177-V180 HydrophobicContact CG-CG2 4.42Å; W177-V180 HydrophobicContact CZ3-CG2 4.4Å; W177-V180 WeakPolarHBondContact O-CB 3.39Å; W177-V180 WeakPolarHBondContact O-CG1 3.43Å; W177-V180 PolarHBondContact O-N 3.32Å; W177-V180 VanDerWaalsContact O-N 3.14Å; V180-L182 PolarHBondContact O-N 2.9Å; V180-L183 HydrophobicContact CG2-CD1 4.24Å; V180-L183 WeakPolarHBondContact O-CB 3.35Å; V180-L183 PolarHBondContact O-N 2.76Å; V180-L183 VanDerWaalsContact O-N 3.15Å; V180-Y186 HydrophobicContact CG1-CE1 4.13Å; V180-Y186 HydrophobicContact CG1-CE2 4.12Å; V180-Y186 HydrophobicContact CG2-CD2 3.65Å; V180-Y186 HydrophobicContact CG2-CE2 3.72Å; V180-Y186 HydrophobicContact CG2-CG 4.15Å; V180-Y186 VanDerWaalsContact O-CB 3.31Å; V180-Y186 WeakPolarHBondContact O-CB 3.46Å
181S93.1Very high87.6Confident68 Ų6870.8 Ų70.848%0.47640%0.402SS..G310 helixtrans-65.8-15.3175.561.70000114.7E174 G179 L183E174-S181 WeakPolarHBondContact OE1-CB 3.06Å; E174-S181 PolarHBondContact OE1-N 3.32Å; E174-S181 PolarHBondContact OE1-OG 3.04Å; G179-S181 PolarHBondContact O-N 3.33Å; S181-L183 VanDerWaalsContact C-N 3.33Å
182L93.1Very high85.7Confident146 Ų14672.2 Ų72.276%0.76441%0.411SS*.G310 helixtrans-84.7-9.4177.5-56.1175.8000112.5G179 V180G179-L182 WeakPolarHBondContact O-CB 3.38Å; G179-L182 PolarHBondContact O-N 3.1Å; G179-L182 VanDerWaalsContact O-N 3.08Å; V180-L182 PolarHBondContact O-N 2.9Å
183L92.3Very high83.4Confident29 Ų2976.6 Ų76.615%0.15244%0.441CS..SBendtrans-74.7134.4179.7-65.8174.9000110.6D121 M124 W177 V180 S181 N185 Y186D121-L183 HydrophobicContact CB-CD1 4.41Å; M124-L183 HydrophobicContact CB-CB 3.97Å; M124-L183 HydrophobicContact CB-CD1 3.93Å; M124-L183 HydrophobicContact CE-CD1 3.57Å; M124-L183 HydrophobicContact SD-CD1 4.06Å; W177-L183 HydrophobicContact CH2-CD1 4.27Å; W177-L183 HydrophobicContact CZ2-CD1 4.18Å; V180-L183 HydrophobicContact CG2-CD1 4.24Å; V180-L183 WeakPolarHBondContact O-CB 3.35Å; V180-L183 PolarHBondContact O-N 2.76Å; V180-L183 VanDerWaalsContact O-N 3.15Å; S181-L183 VanDerWaalsContact C-N 3.33Å; L183-N185 PolarHBondContact O-N 2.99Å; L183-Y186 PolarHBondContact O-N 3.27Å; L183-Y186 VanDerWaalsContact O-N 3.1Å
184P90.9Very high81.2Confident92 Ų9284.7 Ų84.760%0.59746%0.464SS*.THydrogen-bonded Turntrans-53.4-36.7-170.7-29.835.3000115.3M124M124-P184 WeakPolarHBondContact O-CD 3.2Å
185N88.9Confident78.3Confident86 Ų8686.5 Ų86.546%0.4648%0.483SS..THydrogen-bonded Turntrans-111.418.9-175.1-55-31000112.7M124 L183 R187M124-N185 WeakPolarHBondContact O-CB 3.48Å; M124-N185 PolarHBondContact O-N 3.39Å; L183-N185 PolarHBondContact O-N 2.99Å; N185-R187 PolarHBondContact O-N 3.08Å
186Y90.9Very high75.7Confident42 Ų4288.5 Ų88.517%0.16551%0.505CS..  trans-73.5108173.3176.6-107.8000110.6M124 P172 V180 L183 P188M124-Y186 HydrophobicContact SD-CD2 3.59Å; M124-Y186 VanDerWaalsContact SD-CD2 3.59Å; M124-Y186 HydrophobicContact SD-CG 4.23Å; P172-Y186 HydrophobicContact CG-CE2 4.16Å; P172-Y186 PolarHBondContact O-OH 3.41Å; V180-Y186 HydrophobicContact CG1-CE1 4.13Å; V180-Y186 HydrophobicContact CG1-CE2 4.12Å; V180-Y186 HydrophobicContact CG2-CD2 3.65Å; V180-Y186 HydrophobicContact CG2-CE2 3.72Å; V180-Y186 HydrophobicContact CG2-CG 4.15Å; V180-Y186 VanDerWaalsContact O-CB 3.31Å; V180-Y186 WeakPolarHBondContact O-CB 3.46Å; L183-Y186 PolarHBondContact O-N 3.27Å; L183-Y186 VanDerWaalsContact O-N 3.1Å; Y186-P188 HydrophobicContact CD1-CG 4.36Å; Y186-P188 HydrophobicContact CE1-CB 4.47Å; Y186-P188 HydrophobicContact CE1-CG 3.67Å; Y186-P188 HydrophobicContact CE2-CB 4.28Å; Y186-P188 HydrophobicContact CE2-CG 4.32Å
187R86.1Confident74.8Confident131 Ų13188.9 Ų88.949%0.49450%0.502SS..  trans-134.672.8-177.4-61.4-170.1-174.7179.55.6111.8N185 G189 E190 L191N185-R187 PolarHBondContact O-N 3.08Å; R187-G189 PolarHBondContact O-N 3.27Å; R187-G189 VanDerWaalsContact O-N 3.11Å; R187-E190 HydrophobicContact CB-CB 4.37Å; R187-E190 HydrophobicContact CB-CG 4.24Å; R187-E190 WeakPolarHBondContact CD-OE1 3.43Å; R187-E190 VanDerWaalsContact CD-OE2 3.23Å; R187-E190 WeakPolarHBondContact CD-OE2 3.21Å; R187-E190 IonicContact CZ-OE1 2.73Å; R187-E190 IonicContact NE-OE1 3.59Å; R187-E190 IonicContact NH1-OE1 2.84Å; R187-E190 PolarHBondContact NH1-OE1 2.78Å; R187-E190 IonicContact NH1-OE2 3.53Å; R187-E190 PolarHBondContact O-N 2.56Å; R187-L191 WeakPolarHBondContact O-CD1 3.46Å
188P78.1Confident73.8Confident47 Ų4788.9 Ų88.931%0.30551%0.511SS..G310 helixtrans-58.5-30-172.623.8-34.5000113.5V171 Y186V171-P188 HydrophobicContact CG1-CB 4.06Å; Y186-P188 HydrophobicContact CD1-CG 4.36Å; Y186-P188 HydrophobicContact CE1-CB 4.47Å; Y186-P188 HydrophobicContact CE1-CG 3.67Å; Y186-P188 HydrophobicContact CE2-CB 4.28Å; Y186-P188 HydrophobicContact CE2-CG 4.32Å
189G70Confident72.7Confident50 Ų5088.3 Ų88.352%0.51550%0.503SS..G310 helixtrans-77.9-18.9-178.600000115.9R187 L191 T192R187-G189 PolarHBondContact O-N 3.27Å; R187-G189 VanDerWaalsContact O-N 3.11Å; G189-L191 PolarHBondContact O-N 3.33Å; G189-T192 PolarHBondContact O-OG1 3.49Å
190E62.1Low71.5Confident105 Ų10592.1 Ų92.149%0.49152%0.518SS..G310 helixtrans-76.3-7.3176-71.5-179.3-177.300112.1R187R187-E190 HydrophobicContact CB-CB 4.37Å; R187-E190 HydrophobicContact CB-CG 4.24Å; R187-E190 WeakPolarHBondContact CD-OE1 3.43Å; R187-E190 VanDerWaalsContact CD-OE2 3.23Å; R187-E190 WeakPolarHBondContact CD-OE2 3.21Å; R187-E190 IonicContact CZ-OE1 2.73Å; R187-E190 IonicContact NE-OE1 3.59Å; R187-E190 IonicContact NH1-OE1 2.84Å; R187-E190 PolarHBondContact NH1-OE1 2.78Å; R187-E190 IonicContact NH1-OE2 3.53Å; R187-E190 PolarHBondContact O-N 2.56Å
191L57Low70.1Confident28 Ų2897.9 Ų97.915%0.14755%0.551CS.*SBendtrans-109.9-18-170-55.6135.1000112.9L159 Q163 W166 R187 G189 C193L159-L191 HydrophobicContact CD1-CD2 3.62Å; L159-L191 HydrophobicContact CD1-CG 4.42Å; L159-L191 HydrophobicContact CG-CD2 4.43Å; Q163-L191 HydrophobicContact CG-CD2 3.26Å; W166-L191 HydrophobicContact CE3-CD1 3.57Å; W166-L191 HydrophobicContact CE3-CD2 3.72Å; W166-L191 HydrophobicContact CE3-CG 4.08Å; W166-L191 HydrophobicContact CH2-CD1 3.62Å; W166-L191 HydrophobicContact CZ3-CD1 2.93Å; W166-L191 HydrophobicContact CZ3-CD2 3.37Å; W166-L191 HydrophobicContact CZ3-CG 3.65Å; R187-L191 WeakPolarHBondContact O-CD1 3.46Å; G189-L191 PolarHBondContact O-N 3.33Å; L191-C193 VanDerWaalsContact C-N 3.33Å
192T53.4Low68.6Low101 Ų10199.9 Ų99.962%0.6256%0.556SS**SBendtrans-83.2-6.7178.448.80000113.4G189 R194G189-T192 PolarHBondContact O-OG1 3.49Å; T192-R194 PolarHBondContact O-N 3.25Å
193C45.2Very low66.8Low106 Ų10696.6 Ų96.672%0.71654%0.541SS*.SBendtrans-94.221-172.5-71.80000115.3L191L191-C193 VanDerWaalsContact C-N 3.33Å
194R47.4Very low64.8Low218 Ų218101.8 Ų101.882%0.82357%0.571SS**  trans-129.763.7170.9-65.4-165.9-169.8-164.57111.9T192T192-R194 PolarHBondContact O-N 3.25Å
195C32.7Very low62.7Low116 Ų116102.6 Ų102.678%0.78457%0.569SS**  trans-106.7130.6149.8-69.40000107.6
196P40.2Very low60.3Low201 Ų201104.1 Ų104.1100%1.30558%0.579SS**  trans-63.60167.828.9-32.9000111.8

Retrieved 196 of 196 residues in 189.9 ms (Link to these results)

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