A0A087XUP6_POEFO Loading...

Large ribosomal subunit protein bL28m

AlphaFold DB , UniProt , Accession A0A087XUP6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 251 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
1M75.4Confident92.2Very high229 Ų229137.8 Ų137.8100%1.12868%0.681SS**  0125.30-71.9-173.3-101.100107.9
2P91.6Very high92Very high136 Ų136139.8 Ų139.888%0.88369%0.687SS**PPolyproline II helixtrans-65.6138.1174.627.7-32000110.1
3L94.1Very high91.9Very high166 Ų166132.7 Ų132.787%0.86966%0.664SS**PPolyproline II helixtrans-94.7144.3173.9-64175000109.6
4H94.5Very high91.9Very high136 Ų136126.9 Ų126.963%0.6364%0.635SS**PPolyproline II helixtrans-67.9139.5172-66.6-64.4000110.7Y6H4-Y6 VanDerWaalsContact C-N 3.27Å; H4-Y6 WeakPolarHBondContact CB-O 3.42Å; H4-Y6 PolarHBondContact O-N 3.33Å
5K94.6Very high91.8Very high178 Ų178125.3 Ų125.377%0.77462%0.623SS**SBendtrans-62.6-34.1173.1-174.1176.4-179.6178.30112.4
6Y94.8Very high91.8Very high102 Ų102120.9 Ų120.940%0.460%0.602SS.*SBendtrans-125.8137.5178.6-61.3-75.6000111.1H4 W11 M14H4-Y6 VanDerWaalsContact C-N 3.27Å; H4-Y6 WeakPolarHBondContact CB-O 3.42Å; H4-Y6 PolarHBondContact O-N 3.33Å; Y6-W11 PolarHBondContact O-NE1 3.44Å; Y6-W11 VanDerWaalsContact O-NE1 3.16Å; Y6-M14 HydrophobicContact CE1-CE 4.39Å; Y6-M14 HydrophobicContact CE2-CE 4.3Å
7P95.4Very high91.7Very high74 Ų74122.8 Ų122.848%0.48161%0.606SS.*  trans-56.8142.3173-24.731.8000112.8K9 L10P7-K9 PolarHBondContact O-N 3.02Å; P7-K9 VanDerWaalsContact O-N 3.14Å; P7-L10 HydrophobicContact CG-CD1 4.33Å; P7-L10 PolarHBondContact O-N 2.98Å
8P94.1Very high91.8Very high78 Ų78122.9 Ų122.951%0.50660%0.604SS.*G310 helixtrans-54.9-33.6178.5-28.835.5000114.9L10 W11P8-L10 PolarHBondContact O-N 2.87Å; P8-L10 VanDerWaalsContact O-N 3.14Å; P8-W11 HydrophobicContact CB-CD2 4.25Å; P8-W11 HydrophobicContact CB-CE3 4.19Å; P8-W11 HydrophobicContact CB-CH2 4.18Å; P8-W11 HydrophobicContact CB-CZ2 4.22Å; P8-W11 HydrophobicContact CB-CZ3 4.16Å; P8-W11 HydrophobicContact CG-CH2 4.07Å; P8-W11 HydrophobicContact CG-CZ2 3.96Å; P8-W11 WeakPolarHBondContact O-CB 3.39Å; P8-W11 PolarHBondContact O-N 2.89Å; P8-W11 VanDerWaalsContact O-N 3.13Å
9K92.6Very high91.8Very high201 Ų201119.2 Ų119.287%0.87460%0.6SS**G310 helixtrans-60.8-21.7176.8-64.9-173.8178.4-176.90114P7P7-K9 PolarHBondContact O-N 3.02Å; P7-K9 VanDerWaalsContact O-N 3.14Å
10L93.1Very high91.9Very high87 Ų87114.9 Ų114.946%0.45558%0.579SS.*G310 helixtrans-96.4-6-179.3-66.1179.3000113.1P7 P8 E12 A13 M14P7-L10 HydrophobicContact CG-CD1 4.33Å; P7-L10 PolarHBondContact O-N 2.98Å; P8-L10 PolarHBondContact O-N 2.87Å; P8-L10 VanDerWaalsContact O-N 3.14Å; L10-E12 VanDerWaalsContact C-N 3.34Å; L10-E12 PolarHBondContact O-N 3.28Å; L10-A13 PolarHBondContact O-N 3.21Å; L10-M14 WeakPolarHBondContact O-CB 3.27Å; L10-M14 VanDerWaalsContact O-CG 3.27Å; L10-M14 WeakPolarHBondContact O-CG 3.42Å; L10-M14 PolarHBondContact O-N 3.22Å
11W93.4Very high91.9Very high129 Ų129111.1 Ų111.149%0.48956%0.558SS.*Hα-helixtrans-63.1-39-175.2-68.3-9.3000112.8Y6 P8 M14 K15Y6-W11 PolarHBondContact O-NE1 3.44Å; Y6-W11 VanDerWaalsContact O-NE1 3.16Å; P8-W11 HydrophobicContact CB-CD2 4.25Å; P8-W11 HydrophobicContact CB-CE3 4.19Å; P8-W11 HydrophobicContact CB-CH2 4.18Å; P8-W11 HydrophobicContact CB-CZ2 4.22Å; P8-W11 HydrophobicContact CB-CZ3 4.16Å; P8-W11 HydrophobicContact CG-CH2 4.07Å; P8-W11 HydrophobicContact CG-CZ2 3.96Å; P8-W11 WeakPolarHBondContact O-CB 3.39Å; P8-W11 PolarHBondContact O-N 2.89Å; P8-W11 VanDerWaalsContact O-N 3.13Å; W11-M14 PolarHBondContact O-N 2.78Å; W11-K15 WeakPolarHBondContact O-CB 3.45Å; W11-K15 PolarHBondContact O-N 3.49Å
12E90.1Very high92.7Very high161 Ų161102.8 Ų102.875%0.75253%0.525SS*.Hα-helixtrans-64-45.4176.2-65.7-176.3172.800111.8L10 M14 K15 L16L10-E12 VanDerWaalsContact C-N 3.34Å; L10-E12 PolarHBondContact O-N 3.28Å; E12-M14 VanDerWaalsContact C-N 3.27Å; E12-M14 PolarHBondContact O-N 3.35Å; E12-K15 WeakPolarHBondContact O-CB 3.18Å; E12-K15 PolarHBondContact O-N 3.07Å; E12-L16 PolarHBondContact O-N 3.26Å; E12-L16 VanDerWaalsContact O-N 3.14Å
13A90.8Very high92.8Very high48 Ų48102.4 Ų102.440%0.39751%0.506SS..Hα-helixtrans-63.3-34.4175.900000112.2L10L10-A13 PolarHBondContact O-N 3.21Å
14M91.3Very high92.9Very high52 Ų5294.8 Ų94.826%0.25647%0.466SS..Hα-helixtrans-72.1-36.5174.9-70.5-62.6-69.500112.1Y6 L10 W11 E12 L16 K17Y6-M14 HydrophobicContact CE1-CE 4.39Å; Y6-M14 HydrophobicContact CE2-CE 4.3Å; L10-M14 WeakPolarHBondContact O-CB 3.27Å; L10-M14 VanDerWaalsContact O-CG 3.27Å; L10-M14 WeakPolarHBondContact O-CG 3.42Å; L10-M14 PolarHBondContact O-N 3.22Å; W11-M14 PolarHBondContact O-N 2.78Å; E12-M14 VanDerWaalsContact C-N 3.27Å; E12-M14 PolarHBondContact O-N 3.35Å; M14-L16 VanDerWaalsContact C-N 3.27Å; M14-L16 PolarHBondContact O-N 3.03Å; M14-K17 PolarHBondContact O-N 2.98Å; M14-K17 VanDerWaalsContact O-N 3.07Å; M14-K17 HydrophobicContact SD-CD 4.42Å
15K90.9Very high92.9Very high103 Ų10389.7 Ų89.745%0.44845%0.445SS..Hα-helixtrans-58.7-40.7174.7-173.4-177177.2-165.60111W11 E12 K17 Q18 Y21W11-K15 WeakPolarHBondContact O-CB 3.45Å; W11-K15 PolarHBondContact O-N 3.49Å; E12-K15 WeakPolarHBondContact O-CB 3.18Å; E12-K15 PolarHBondContact O-N 3.07Å; K15-K17 PolarHBondContact O-N 2.88Å; K15-Q18 PolarHBondContact O-N 3.3Å; K15-Y21 HydrophobicContact CD-CE2 4.36Å; K15-Y21 VanDerWaalsContact CE-CZ 3.41Å; K15-Y21 WeakPolarHBondContact CE-OH 3.31Å; K15-Y21 HydrophobicContact CG-CD2 4.14Å; K15-Y21 HydrophobicContact CG-CE2 4.02Å; K15-Y21 PolarHBondContact NZ-OH 3.43Å
16L91.4Very high92.9Very high54 Ų5490.1 Ų90.128%0.28345%0.447SS..THydrogen-bonded Turntrans-63.7-22.5176.9-66.9175000113.8E12 M14 Y21 A22 L29 L32 L207E12-L16 PolarHBondContact O-N 3.26Å; E12-L16 VanDerWaalsContact O-N 3.14Å; M14-L16 VanDerWaalsContact C-N 3.27Å; M14-L16 PolarHBondContact O-N 3.03Å; L16-Y21 HydrophobicContact CD2-CD1 4.16Å; L16-Y21 CarbonylContact O-C 3.59Å; L16-A22 PolarHBondContact O-N 3.42Å; L16-L29 HydrophobicContact CD2-CD2 4.43Å; L16-L32 HydrophobicContact CD2-CD1 4.43Å; L16-L207 HydrophobicContact CD2-CD1 3.84Å; L16-L207 HydrophobicContact CD2-CD2 4.41Å
17K90.9Very high92.9Very high154 Ų15488.3 Ų88.367%0.6744%0.442SS*.THydrogen-bonded Turntrans-88-1.2179.7-64.7-178.9-178.4-177.40113.9M14 K15M14-K17 PolarHBondContact O-N 2.98Å; M14-K17 VanDerWaalsContact O-N 3.07Å; M14-K17 HydrophobicContact SD-CD 4.42Å; K15-K17 PolarHBondContact O-N 2.88Å
18Q92.5Very high92.8Very high125 Ų12584.9 Ų84.958%0.58442%0.42SS*.SBendtrans-127.2155.2-173.3-64.4-177.3-0.500112.5K15 Y21K15-Q18 PolarHBondContact O-N 3.3Å; Q18-Y21 PolarHBondContact O-N 2.84Å
19G93.1Very high92.7Very high51 Ų5183.4 Ų83.453%0.52641%0.407SS..THydrogen-bonded Turntrans62-136.9171.300000113.6Y21 R23G19-Y21 VanDerWaalsContact C-N 3.32Å; G19-R23 PolarHBondContact O-NH1 2.93Å
20I92.4Very high92.7Very high34 Ų3481.2 Ų81.217%0.17440%0.398CS..THydrogen-bonded Turntrans-67.7-30.4179.9-169.8159.2000112.8A22 R23 L24 V211 Q214 R215I20-A22 VanDerWaalsContact C-N 3.29Å; I20-A22 PolarHBondContact O-N 3.43Å; I20-R23 PolarHBondContact O-N 3.3Å; I20-R23 VanDerWaalsContact O-N 3.08Å; I20-L24 PolarHBondContact O-N 3.44Å; I20-V211 HydrophobicContact CD1-CG1 4.1Å; I20-V211 HydrophobicContact CG1-CG1 4.49Å; I20-V211 HydrophobicContact CG2-CG1 3.82Å; I20-V211 HydrophobicContact CG2-CG2 4.34Å; I20-Q214 HydrophobicContact CD1-CB 4.23Å; I20-Q214 HydrophobicContact CD1-CG 4.25Å; I20-Q214 HydrophobicContact CG1-CB 4.24Å; I20-Q214 HydrophobicContact CG1-CG 3.94Å; I20-R215 HydrophobicContact CD1-CB 3.94Å
21Y92.3Very high92.5Very high36 Ų3679.7 Ų79.714%0.14140%0.395CS..G310 helixtrans-65-34.5-179.3-58.5-84.3000112.6K15 L16 Q18 G19 R23 L24 L207 V211K15-Y21 HydrophobicContact CD-CE2 4.36Å; K15-Y21 VanDerWaalsContact CE-CZ 3.41Å; K15-Y21 WeakPolarHBondContact CE-OH 3.31Å; K15-Y21 HydrophobicContact CG-CD2 4.14Å; K15-Y21 HydrophobicContact CG-CE2 4.02Å; K15-Y21 PolarHBondContact NZ-OH 3.43Å; L16-Y21 HydrophobicContact CD2-CD1 4.16Å; L16-Y21 CarbonylContact O-C 3.59Å; Q18-Y21 PolarHBondContact O-N 2.84Å; G19-Y21 VanDerWaalsContact C-N 3.32Å; Y21-R23 PolarHBondContact O-N 3.07Å; Y21-L24 HydrophobicContact CD1-CD1 4.3Å; Y21-L24 WeakPolarHBondContact O-CB 3.41Å; Y21-L24 PolarHBondContact O-N 3.23Å; Y21-L207 HydrophobicContact CD1-CD1 3.89Å; Y21-L207 HydrophobicContact CD1-CD2 4.37Å; Y21-L207 HydrophobicContact CD1-CG 4.22Å; Y21-L207 HydrophobicContact CE1-CD1 4.02Å; Y21-L207 HydrophobicContact CE1-CD2 3.87Å; Y21-L207 HydrophobicContact CE1-CG 3.82Å; Y21-V211 HydrophobicContact CD1-CG2 3.64Å; Y21-V211 HydrophobicContact CE1-CG2 3.28Å
22A93Very high92.3Very high53 Ų5375.7 Ų75.744%0.43838%0.383SS..G310 helixtrans-68.9-20.1176.600000113.3L16 I20L16-A22 PolarHBondContact O-N 3.42Å; I20-A22 VanDerWaalsContact C-N 3.29Å; I20-A22 PolarHBondContact O-N 3.43Å
23R94.2Very high92.2Very high129 Ų12974.3 Ų74.349%0.48738%0.376SS..G310 helixtrans-91.2-6.2179-60-167.3-63.1-929113.1G19 I20 Y21 E218G19-R23 PolarHBondContact O-NH1 2.93Å; I20-R23 PolarHBondContact O-N 3.3Å; I20-R23 VanDerWaalsContact O-N 3.08Å; Y21-R23 PolarHBondContact O-N 3.07Å; R23-E218 WeakPolarHBondContact CD-OE1 3.44Å; R23-E218 IonicContact CZ-OE1 3.87Å; R23-E218 IonicContact CZ-OE2 3.28Å; R23-E218 VanDerWaalsContact CZ-OE2 3.28Å; R23-E218 VanDerWaalsContact NE-CD 3.32Å; R23-E218 IonicContact NE-OE1 3.77Å; R23-E218 PolarHBondContact NE-OE1 3.14Å; R23-E218 IonicContact NE-OE2 2.73Å; R23-E218 PolarHBondContact NE-OE2 3.44Å; R23-E218 IonicContact NH2-OE1 3.06Å; R23-E218 IonicContact NH2-OE2 2.71Å; R23-E218 PolarHBondContact NH2-OE2 3.18Å
24L94.8Very high91.8Very high6 Ų680.6 Ų80.63%0.03140%0.397CS..SBendtrans-63.4151.8175.2-66.9173.1000111.2I20 Y21 Y28 L29 W202 L207 A210 Q214I20-L24 PolarHBondContact O-N 3.44Å; Y21-L24 HydrophobicContact CD1-CD1 4.3Å; Y21-L24 WeakPolarHBondContact O-CB 3.41Å; Y21-L24 PolarHBondContact O-N 3.23Å; L24-Y28 HydrophobicContact CB-CD1 4.42Å; L24-Y28 HydrophobicContact CD1-CD1 4.27Å; L24-Y28 HydrophobicContact CD1-CE1 4.12Å; L24-L29 HydrophobicContact CB-CD2 4.21Å; L24-L29 HydrophobicContact CB-CG 4.28Å; L24-L29 HydrophobicContact CD1-CD2 4.27Å; L24-W202 HydrophobicContact CD2-CH2 4.24Å; L24-W202 HydrophobicContact CD2-CZ3 3.78Å; L24-L207 HydrophobicContact CD1-CD1 4.38Å; L24-A210 HydrophobicContact CD2-CB 4.27Å; L24-Q214 HydrophobicContact CD2-CB 3.8Å; L24-Q214 HydrophobicContact CD2-CG 4.2Å
25P95.8Very high91.7Very high29 Ų2985.4 Ų85.419%0.18842%0.417CS..  trans-58.6140.8179.2-2534.2000113.3H27 Y28 L29 W202P25-H27 VanDerWaalsContact C-N 3.32Å; P25-H27 WeakPolarHBondContact CB-CE1 3.47Å; P25-H27 PolarHBondContact O-N 3.1Å; P25-Y28 WeakPolarHBondContact O-CB 3.48Å; P25-Y28 PolarHBondContact O-N 3.35Å; P25-Y28 VanDerWaalsContact O-N 3.15Å; P25-L29 PolarHBondContact O-N 3.46Å; P25-L29 VanDerWaalsContact O-N 3.09Å; P25-W202 HydrophobicContact CG-CD2 3.74Å; P25-W202 VanDerWaalsContact CG-CE2 3.46Å; P25-W202 HydrophobicContact CG-CE3 4.16Å; P25-W202 HydrophobicContact CG-CG 4.22Å; P25-W202 HydrophobicContact CG-CH2 4.11Å; P25-W202 HydrophobicContact CG-CZ2 3.66Å; P25-W202 HydrophobicContact CG-CZ3 4.34Å
26K93.7Very high91.5Very high186 Ų18689.6 Ų89.681%0.80944%0.438SS*.Hα-helixtrans-61.5-37.9-177.9-66.2179.7-178.4174.80112.9Y28 L29 K30K26-Y28 VanDerWaalsContact C-N 3.31Å; K26-Y28 PolarHBondContact O-N 3.03Å; K26-L29 PolarHBondContact O-N 3.46Å; K26-K30 PolarHBondContact O-N 2.7Å
27H94.1Very high91.5Very high64 Ų6490.3 Ų90.330%0.29645%0.446SS..Hα-helixtrans-64-38.5177.960.3-104000111.3P25 K30 S31 W202P25-H27 VanDerWaalsContact C-N 3.32Å; P25-H27 WeakPolarHBondContact CB-CE1 3.47Å; P25-H27 PolarHBondContact O-N 3.1Å; H27-K30 PolarHBondContact O-N 3.27Å; H27-S31 PolarHBondContact O-N 3.16Å; H27-S31 VanDerWaalsContact O-N 3.12Å; H27-W202 AromaticContact NE2-CD1 3.67Å; H27-W202 AromaticContact NE2-CG 3.78Å
28Y94.1Very high91.6Very high2 Ų286.6 Ų86.61%0.00844%0.436CS..Hα-helixtrans-66.7-47176.5175.9-105.8000111.2L24 P25 K26 K30 S31 L32 W202 L205 T206 L207 A210L24-Y28 HydrophobicContact CB-CD1 4.42Å; L24-Y28 HydrophobicContact CD1-CD1 4.27Å; L24-Y28 HydrophobicContact CD1-CE1 4.12Å; P25-Y28 WeakPolarHBondContact O-CB 3.48Å; P25-Y28 PolarHBondContact O-N 3.35Å; P25-Y28 VanDerWaalsContact O-N 3.15Å; K26-Y28 VanDerWaalsContact C-N 3.31Å; K26-Y28 PolarHBondContact O-N 3.03Å; Y28-K30 VanDerWaalsContact C-N 3.28Å; Y28-K30 PolarHBondContact O-N 3.35Å; Y28-S31 WeakPolarHBondContact O-CA 3.46Å; Y28-S31 WeakPolarHBondContact O-CB 3.42Å; Y28-S31 PolarHBondContact O-N 3.25Å; Y28-S31 PolarHBondContact O-OG 3.01Å; Y28-L32 HydrophobicContact CD1-CD1 4.43Å; Y28-L32 HydrophobicContact CE1-CD1 3.93Å; Y28-L32 HydrophobicContact CE1-CD2 4.33Å; Y28-L32 HydrophobicContact CE1-CG 4.24Å; Y28-L32 HydrophobicContact CE2-CD2 4.44Å; Y28-L32 PolarHBondContact O-N 3.18Å; Y28-W202 HydrophobicContact CD2-CB 4.17Å; Y28-W202 WeakPolarHBondContact CD2-O 3.35Å; Y28-W202 HydrophobicContact CG-CB 4.46Å; Y28-W202 HydrophobicContact CG-CE3 4.39Å; Y28-L205 HydrophobicContact CE2-CB 4.07Å; Y28-L205 PolarHBondContact OH-O 3.02Å; Y28-L205 VanDerWaalsContact OH-O 3.14Å; Y28-T206 PolarHBondContact OH-O 3.18Å; Y28-L207 WeakPolarHBondContact OH-CA 3.23Å; Y28-L207 PolarHBondContact OH-N 3.3Å; Y28-A210 HydrophobicContact CD1-CB 4.28Å; Y28-A210 HydrophobicContact CE1-CB 3.49Å; Y28-A210 VanDerWaalsContact CE1-CB 3.49Å; Y28-A210 HydrophobicContact CE2-CB 4.25Å; Y28-A210 VanDerWaalsContact CZ-CB 3.47Å; Y28-A210 WeakPolarHBondContact OH-CB 3.33Å
29L92.3Very high91.6Very high48 Ų4882.7 Ų82.725%0.25142%0.421SS..Hα-helixtrans-58.8-39.9177.1-67.7176.5000112.3L16 L24 P25 K26 S31 L32L16-L29 HydrophobicContact CD2-CD2 4.43Å; L24-L29 HydrophobicContact CB-CD2 4.21Å; L24-L29 HydrophobicContact CB-CG 4.28Å; L24-L29 HydrophobicContact CD1-CD2 4.27Å; P25-L29 PolarHBondContact O-N 3.46Å; P25-L29 VanDerWaalsContact O-N 3.09Å; K26-L29 PolarHBondContact O-N 3.46Å; L29-S31 VanDerWaalsContact C-N 3.27Å; L29-S31 PolarHBondContact O-N 2.65Å; L29-L32 HydrophobicContact CD2-CD1 4.11Å; L29-L32 WeakPolarHBondContact O-CB 3.41Å; L29-L32 PolarHBondContact O-N 2.96Å
30K91.8Very high91.7Very high154 Ų15482 Ų8267%0.6741%0.407SS*.Hα-helixtrans-63.8-32.7174-172.2176.9-179.5-178.60112.5K26 H27 Y28 L32 E33K26-K30 PolarHBondContact O-N 2.7Å; H27-K30 PolarHBondContact O-N 3.27Å; Y28-K30 VanDerWaalsContact C-N 3.28Å; Y28-K30 PolarHBondContact O-N 3.35Å; K30-L32 VanDerWaalsContact C-N 3.26Å; K30-L32 PolarHBondContact O-N 3.4Å; K30-E33 PolarHBondContact O-N 2.94Å
31S90.1Very high91.8Very high56 Ų5683 Ų8339%0.39241%0.411SS..Hα-helixtrans-73.8-13.6177.282.50000114.3H27 Y28 L29 E33H27-S31 PolarHBondContact O-N 3.16Å; H27-S31 VanDerWaalsContact O-N 3.12Å; Y28-S31 WeakPolarHBondContact O-CA 3.46Å; Y28-S31 WeakPolarHBondContact O-CB 3.42Å; Y28-S31 PolarHBondContact O-N 3.25Å; Y28-S31 PolarHBondContact O-OG 3.01Å; L29-S31 VanDerWaalsContact C-N 3.27Å; L29-S31 PolarHBondContact O-N 2.65Å; S31-E33 VanDerWaalsContact C-N 3.33Å
32L89.3Confident91.9Very high45 Ų4584.3 Ų84.324%0.23642%0.415CS..THydrogen-bonded Turntrans-79.1-17.4175.1-66.8175.9000112.8L16 Y28 L29 K30 Q34 L207L16-L32 HydrophobicContact CD2-CD1 4.43Å; Y28-L32 HydrophobicContact CD1-CD1 4.43Å; Y28-L32 HydrophobicContact CE1-CD1 3.93Å; Y28-L32 HydrophobicContact CE1-CD2 4.33Å; Y28-L32 HydrophobicContact CE1-CG 4.24Å; Y28-L32 HydrophobicContact CE2-CD2 4.44Å; Y28-L32 PolarHBondContact O-N 3.18Å; L29-L32 HydrophobicContact CD2-CD1 4.11Å; L29-L32 WeakPolarHBondContact O-CB 3.41Å; L29-L32 PolarHBondContact O-N 2.96Å; K30-L32 VanDerWaalsContact C-N 3.26Å; K30-L32 PolarHBondContact O-N 3.4Å; L32-Q34 PolarHBondContact O-N 3.33Å; L32-Q34 VanDerWaalsContact O-N 3.15Å; L32-L207 HydrophobicContact CD1-CD1 4.02Å
33E86.8Confident92Very high132 Ų13292.7 Ų92.762%0.61744%0.436SS*.SBendtrans-63.5114.1175.2-64.2179.1178.700109.6K30 S31 K35K30-E33 PolarHBondContact O-N 2.94Å; S31-E33 VanDerWaalsContact C-N 3.33Å; E33-K35 PolarHBondContact O-N 3.04Å
34Q82.8Confident91.9Very high179 Ų17989.9 Ų89.984%0.83643%0.434SS*.PPolyproline II helixtrans-67.5130-179.5-67.3176.58.200110.2L32L32-Q34 PolarHBondContact O-N 3.33Å; L32-Q34 VanDerWaalsContact O-N 3.15Å
35K88.8Confident91.7Very high153 Ų15393.2 Ų93.267%0.66545%0.452SS*.PPolyproline II helixtrans-102.9157.5170.5-59.3178.6-177.7175.10109.9E33 P37 D150E33-K35 PolarHBondContact O-N 3.04Å; K35-P37 WeakPolarHBondContact O-CD 3.4Å; K35-D150 WeakPolarHBondContact CB-OD2 3.39Å; K35-D150 PolarHBondContact N-OD2 2.96Å
36E88.1Confident91.4Very high192 Ų19295.3 Ų95.390%0.89748%0.479SS*.PPolyproline II helixtrans-67.6121175.4-66.9-178173.900109.2
37P90.4Very high91.3Very high69 Ų6990.3 Ų90.345%0.44846%0.463SS..PPolyproline II helixtrans-73.5162.2-179.531.1-35.5000111K35 D150K35-P37 WeakPolarHBondContact O-CD 3.4Å; P37-D150 HydrophobicContact CB-CB 4.4Å
38T92.8Very high91.2Very high76 Ų7697 Ų9747%0.46649%0.486SS..PPolyproline II helixtrans-62.1136.8176.3-53.30000110.5V40 D151T38-V40 WeakPolarHBondContact O-CG2 3.18Å; T38-V40 PolarHBondContact O-N 3.11Å; T38-D151 VanDerWaalsContact CB-OD1 3.26Å; T38-D151 WeakPolarHBondContact CB-OD1 3.49Å; T38-D151 PolarHBondContact N-OD1 2.91Å; T38-D151 PolarHBondContact OG1-OD1 3.37Å; T38-D151 PolarHBondContact OG1-OD2 3.09Å
39P94.3Very high91.1Very high42 Ų42101.1 Ų101.127%0.27351%0.505SS..PPolyproline II helixtrans-62.1126.7177.322.6-32.7000112.1W42 P44P39-W42 HydrophobicContact CB-CD2 4.09Å; P39-W42 HydrophobicContact CB-CH2 4.09Å; P39-W42 HydrophobicContact CB-CZ2 3.65Å; P39-P44 HydrophobicContact CG-CB 4.4Å; P39-P44 HydrophobicContact CG-CG 3.87Å
40V94.2Very high91.2Very high36 Ų36105.8 Ų105.822%0.21852%0.519CS..SBendtrans-113.4-61.1178.5-177.10000111.1T38 W42 E82T38-V40 WeakPolarHBondContact O-CG2 3.18Å; T38-V40 PolarHBondContact O-N 3.11Å; V40-W42 VanDerWaalsContact C-N 3.33Å; V40-W42 PolarHBondContact O-N 3.14Å; V40-E82 HydrophobicContact CG1-CG 3.86Å
41H94.4Very high91.2Very high57 Ų57104 Ų10426%0.26452%0.516SS..SBendtrans-90.25.3-171.3-56.2-64.8000114.4I66 V68 I85H41-I66 HydrophobicContact CB-CD1 4.34Å; H41-V68 VanDerWaalsContact CD2-CG2 3.5Å; H41-V68 WeakPolarHBondContact CD2-CG2 3.4Å; H41-I85 HydrophobicContact CB-CD1 3.55Å; H41-I85 VanDerWaalsContact CG-CD1 3.44Å
42W93.9Very high91.2Very high62 Ų62102 Ų10224%0.23550%0.503CS..SBendtrans-147.1158-179.361.4-79.5000109.4P39 V40 P44 D63 P65 I66P39-W42 HydrophobicContact CB-CD2 4.09Å; P39-W42 HydrophobicContact CB-CH2 4.09Å; P39-W42 HydrophobicContact CB-CZ2 3.65Å; V40-W42 VanDerWaalsContact C-N 3.33Å; V40-W42 PolarHBondContact O-N 3.14Å; W42-P44 HydrophobicContact CH2-CB 4.18Å; W42-P44 VanDerWaalsContact CZ3-CA 3.47Å; W42-P44 HydrophobicContact CZ3-CB 3.85Å; W42-D63 HydrophobicContact CH2-CB 3.55Å; W42-D63 HydrophobicContact CZ3-CB 3.5Å; W42-D63 VanDerWaalsContact CZ3-CB 3.5Å; W42-P65 HydrophobicContact CZ2-CB 4.4Å; W42-I66 HydrophobicContact CB-CD1 3.88Å; W42-I66 HydrophobicContact CB-CG1 4.21Å; W42-I66 HydrophobicContact CG-CD1 4.5Å; W42-I66 HydrophobicContact CG-CG1 4.37Å
43R94.8Very high91.4Very high230 Ų230105.5 Ų105.587%0.86853%0.528SS*.  trans-101.7124.6-179.9-65.9-178.9-176.9171.90.3109.3
44P93.8Very high91.8Very high70 Ų70108.7 Ų108.746%0.45554%0.54SS..  trans-67.2145.8175.330.5-35.6000111P39 W42 G46P39-P44 HydrophobicContact CG-CB 4.4Å; P39-P44 HydrophobicContact CG-CG 3.87Å; W42-P44 HydrophobicContact CH2-CB 4.18Å; W42-P44 VanDerWaalsContact CZ3-CA 3.47Å; W42-P44 HydrophobicContact CZ3-CB 3.85Å; P44-G46 VanDerWaalsContact C-N 3.33Å
45L90.1Very high92.2Very high76 Ų76104.3 Ų104.340%0.39853%0.525SS..  trans-76.4-25.9179.4-66.6167000112V47 V61 D63L45-V47 HydrophobicContact CB-CG2 4.46Å; L45-V47 PolarHBondContact O-N 3.38Å; L45-V61 HydrophobicContact CD1-CB 3.97Å; L45-V61 HydrophobicContact CD1-CG1 3.16Å; L45-D63 WeakPolarHBondContact CB-OD1 3.37Å; L45-D63 WeakPolarHBondContact CG-OD1 3.43Å; L45-D63 PolarHBondContact N-OD1 2.89Å; L45-D63 PolarHBondContact N-OD2 3.21Å
46G89.9Confident92.4Very high73 Ų7399.6 Ų99.675%0.75352%0.52SS*.  trans69.7-3.1179.100000114.8P44P44-G46 VanDerWaalsContact C-N 3.33Å
47V91.6Very high92.7Very high80 Ų8094.6 Ų94.649%0.48550%0.502SS..  trans-126.8140.3-179.4-62.80000111L45L45-V47 HydrophobicContact CB-CG2 4.46Å; L45-V47 PolarHBondContact O-N 3.38Å
48R90.8Very high93Very high204 Ų20498.2 Ų98.277%0.7751%0.511SS*.SBendtrans-80.4-22.5176.9-65.5-178.2-178.5178.30.7113.3R60 V61R48-R60 WeakPolarHBondContact O-CA 3.46Å; R48-R60 WeakPolarHBondContact O-CG 3.47Å; R48-V61 PolarHBondContact O-N 2.73Å
49H93.1Very high93Very high89 Ų8999.1 Ų99.141%0.41251%0.51SS..EExtended strand (participates in β ladder)trans-136.2142.4-178.8-58.690.2000109.8K58 E59H49-K58 HydrophobicContact CB-CD 4.25Å; H49-K58 HydrophobicContact CB-CG 3.84Å; H49-E59 CarbonylContact C-O 3.52Å; H49-E59 WeakPolarHBondContact CA-O 3.36Å
50R92.8Very high93Very high146 Ų146106 Ų10655%0.55153%0.53SS*.EExtended strand (participates in β ladder)trans-131.7140.8175.3-173.6177.1176.9175.61.5108.6S52 E59 V61R50-S52 PolarHBondContact O-N 3.37Å; R50-E59 PolarHBondContact N-O 3.18Å; R50-E59 PolarHBondContact O-N 3.23Å; R50-V61 HydrophobicContact CB-CG2 3.6Å
51I92.8Very high93Very high116 Ų116106.3 Ų106.360%0.59553%0.532SS*.EExtended strand (participates in β ladder)trans-76.1123.1170.8-61.7171.9000107.2P53 G56I51-P53 WeakPolarHBondContact O-CD 3.39Å; I51-G56 WeakPolarHBondContact CG2-O 3.42Å
52S90.5Very high92.9Very high16 Ų16109.7 Ų109.711%0.11255%0.548CS..  trans-67.2122.2178.5-176.30000109.4R50 K54 T55 G56 V57 E59R50-S52 PolarHBondContact O-N 3.37Å; S52-K54 PolarHBondContact O-N 3.26Å; S52-K54 VanDerWaalsContact O-N 3.13Å; S52-T55 WeakPolarHBondContact CB-OG1 3.27Å; S52-T55 PolarHBondContact O-N 3.37Å; S52-T55 PolarHBondContact OG-OG1 2.99Å; S52-G56 WeakPolarHBondContact O-CA 3.26Å; S52-G56 PolarHBondContact O-N 2.99Å; S52-V57 PolarHBondContact N-O 2.9Å; S52-E59 VanDerWaalsContact CB-OE1 3.24Å; S52-E59 WeakPolarHBondContact CB-OE1 3.47Å; S52-E59 PolarHBondContact OG-OE1 2.98Å
53P93.6Very high92.8Very high118 Ų118110 Ų11077%0.76655%0.554SS**THydrogen-bonded Turntrans-66.2-17.2-176.525.3-33.3000113I51I51-P53 WeakPolarHBondContact O-CD 3.39Å
54K93.6Very high92.7Very high199 Ų199104 Ų10487%0.86554%0.543SS*.THydrogen-bonded Turntrans-88.8-39.3179.4-67.4-176177.3-176.30113.1S52S52-K54 PolarHBondContact O-N 3.26Å; S52-K54 VanDerWaalsContact O-N 3.13Å
55T92.1Very high92.6Very high87 Ų87104.6 Ų104.653%0.53455%0.547SS..THydrogen-bonded Turntrans-110-15.3-171.158.60000113.2S52 V57S52-T55 WeakPolarHBondContact CB-OG1 3.27Å; S52-T55 PolarHBondContact O-N 3.37Å; S52-T55 PolarHBondContact OG-OG1 2.99Å; T55-V57 PolarHBondContact O-N 3.43Å; T55-V57 PolarHBondContact OG1-N 3.4Å
56G92.7Very high92.8Very high53 Ų53104.1 Ų104.155%0.54654%0.544SS..  trans70.12.1-173.500000114.1I51 S52I51-G56 WeakPolarHBondContact CG2-O 3.42Å; S52-G56 WeakPolarHBondContact O-CA 3.26Å; S52-G56 PolarHBondContact O-N 2.99Å
57V95.4Very high93Very high88 Ų88106.1 Ų106.153%0.53354%0.544SS..  trans-85.1144.6-178.4-178.70000110.4S52 T55 E59S52-V57 PolarHBondContact N-O 2.9Å; T55-V57 PolarHBondContact O-N 3.43Å; T55-V57 PolarHBondContact OG1-N 3.4Å; V57-E59 PolarHBondContact O-N 3.37Å
58K95Very high93.1Very high145 Ų145104 Ų10463%0.6353%0.531SS*.EExtended strand (participates in β ladder)trans-74.6109.4174.2-174.8179.5-179.9178.80110H49H49-K58 HydrophobicContact CB-CD 4.25Å; H49-K58 HydrophobicContact CB-CG 3.84Å
59E94.6Very high93.4Very high95 Ų95100.5 Ų100.544%0.44452%0.519SS..EExtended strand (participates in β ladder)trans-103.3142.7177.6-69.7173.7-169.100110.4H49 R50 S52 V57H49-E59 CarbonylContact C-O 3.52Å; H49-E59 WeakPolarHBondContact CA-O 3.36Å; R50-E59 PolarHBondContact N-O 3.18Å; R50-E59 PolarHBondContact O-N 3.23Å; S52-E59 VanDerWaalsContact CB-OE1 3.24Å; S52-E59 WeakPolarHBondContact CB-OE1 3.47Å; S52-E59 PolarHBondContact OG-OE1 2.98Å; V57-E59 PolarHBondContact O-N 3.37Å
60R94.1Very high93.5Very high185 Ų18599.8 Ų99.870%0.69851%0.513SS*.EExtended strand (participates in β ladder)trans-77.4130.6171.6-176.3178.3174.2-179.5-2.1108.7R48R48-R60 WeakPolarHBondContact O-CA 3.46Å; R48-R60 WeakPolarHBondContact O-CG 3.47Å
61V93.3Very high93.6Very high43 Ų4393 Ų9326%0.26149%0.488SS..  trans-115.9146.1175.8-158.90000109.4L45 R48 R50L45-V61 HydrophobicContact CD1-CB 3.97Å; L45-V61 HydrophobicContact CD1-CG1 3.16Å; R48-V61 PolarHBondContact O-N 2.73Å; R50-V61 HydrophobicContact CB-CG2 3.6Å
62Q92.3Very high93.7Very high129 Ų12991.6 Ų91.660%0.60349%0.486SS*.  trans-126.8138.5179.3-63.3-17812.900108.9
63D92.4Very high93.9Very high67 Ų6796.1 Ų96.136%0.35851%0.506SS..  trans-82.1118.5172.3-79.3-29000108W42 L45W42-D63 HydrophobicContact CH2-CB 3.55Å; W42-D63 HydrophobicContact CZ3-CB 3.5Å; W42-D63 VanDerWaalsContact CZ3-CB 3.5Å; L45-D63 WeakPolarHBondContact CB-OD1 3.37Å; L45-D63 WeakPolarHBondContact CG-OD1 3.43Å; L45-D63 PolarHBondContact N-OD1 2.89Å; L45-D63 PolarHBondContact N-OD2 3.21Å
64V91.8Very high93.9Very high104 Ų10490.7 Ų90.763%0.6347%0.47SS*.  trans-114.7119.2-178.2-179.80000108.6
65P93Very high94Very high83 Ų8383.7 Ų83.754%0.53944%0.441SS..PPolyproline II helixtrans-68.8145.4-177.828-34.2000111.7W42W42-P65 HydrophobicContact CZ2-CB 4.4Å
66I93.9Very high94.1Very high67 Ų6784 Ų8434%0.34444%0.439SS..PPolyproline II helixtrans-76.9129173.1-61.1178000108.7H41 W42 V68 I85H41-I66 HydrophobicContact CB-CD1 4.34Å; W42-I66 HydrophobicContact CB-CD1 3.88Å; W42-I66 HydrophobicContact CB-CG1 4.21Å; W42-I66 HydrophobicContact CG-CD1 4.5Å; W42-I66 HydrophobicContact CG-CG1 4.37Å; I66-V68 WeakPolarHBondContact O-CG2 3.35Å; I66-V68 PolarHBondContact O-N 3.34Å; I66-I85 HydrophobicContact CG2-CG2 3.96Å
67P93.4Very high94.2Very high115 Ų11581.5 Ų81.575%0.74741%0.413SS*.PPolyproline II helixtrans-61.7121.4173-22.733.8000111.1
68V94.6Very high94.2Very high36 Ų3677.4 Ų77.422%0.21839%0.388CS..  trans-108.4133.7178.7-173.60000109H41 I66 Y70 G83H41-V68 VanDerWaalsContact CD2-CG2 3.5Å; H41-V68 WeakPolarHBondContact CD2-CG2 3.4Å; I66-V68 WeakPolarHBondContact O-CG2 3.35Å; I66-V68 PolarHBondContact O-N 3.34Å; V68-Y70 HydrophobicContact CB-CE2 3.86Å; V68-Y70 HydrophobicContact CG1-CD1 4.33Å; V68-Y70 HydrophobicContact CG1-CD2 4.47Å; V68-Y70 HydrophobicContact CG1-CE1 3.8Å; V68-Y70 HydrophobicContact CG1-CE2 3.96Å; V68-G83 VanDerWaalsContact CG1-CA 3.42Å
69Y95.6Very high94.3Very high130 Ų13071.3 Ų71.351%0.5136%0.361SS..BIsolated β-bridgetrans-94.6124.2170.7175.7-106.2000110.2P71 W84Y69-P71 HydrophobicContact CE1-CB 3.95Å; Y69-W84 HydrophobicContact CD1-CB 4.22Å; Y69-W84 HydrophobicContact CD1-CE3 4.16Å; Y69-W84 HydrophobicContact CE1-CE3 4.35Å; Y69-W84 PolarHBondContact N-O 3.34Å; Y69-W84 PolarHBondContact O-N 3.22Å
70Y95.4Very high94.2Very high73 Ų7367 Ų6729%0.28634%0.343SS..  trans-102.7108.9177.6-62.5-77.9000109.3V68 G81 E82 N153V68-Y70 HydrophobicContact CB-CE2 3.86Å; V68-Y70 HydrophobicContact CG1-CD1 4.33Å; V68-Y70 HydrophobicContact CG1-CD2 4.47Å; V68-Y70 HydrophobicContact CG1-CE1 3.8Å; V68-Y70 HydrophobicContact CG1-CE2 3.96Å; Y70-G81 PolarHBondContact OH-O 3.13Å; Y70-E82 VanDerWaalsContact CE1-O 3.31Å; Y70-E82 WeakPolarHBondContact CE1-O 3.3Å; Y70-N153 WeakPolarHBondContact CD1-ND2 3.47Å; Y70-N153 WeakPolarHBondContact CD2-ND2 3.36Å; Y70-N153 WeakPolarHBondContact CE1-ND2 3.23Å; Y70-N153 WeakPolarHBondContact CE2-ND2 3.47Å
71P95.7Very high94.1Very high3 Ų358.6 Ų58.62%0.01931%0.314CS..  trans-74.3161.9178.934.7-38000110.5Y69 Q73 S74 W79 W84Y69-P71 HydrophobicContact CE1-CB 3.95Å; P71-Q73 PolarHBondContact O-N 3.31Å; P71-Q73 VanDerWaalsContact O-N 3.09Å; P71-S74 VanDerWaalsContact O-CB 3.31Å; P71-S74 WeakPolarHBondContact O-CB 3.38Å; P71-S74 PolarHBondContact O-N 2.73Å; P71-S74 PolarHBondContact O-OG 3.17Å; P71-W79 HydrophobicContact CG-CH2 3.41Å; P71-W79 VanDerWaalsContact CG-CH2 3.41Å; P71-W79 HydrophobicContact CG-CZ2 4.44Å; P71-W79 HydrophobicContact CG-CZ3 3.69Å; P71-W84 HydrophobicContact CG-CD2 4.46Å; P71-W84 HydrophobicContact CG-CZ2 4.37Å
72P95.3Very high94.1Very high87 Ų8758.3 Ų58.357%0.56531%0.309SS*.Hα-helixtrans-53.6-35.4-177.9-27.835.7000114.1S74 Q75P72-S74 PolarHBondContact O-N 3.41Å; P72-S74 VanDerWaalsContact O-N 3.12Å; P72-Q75 WeakPolarHBondContact O-CB 3.36Å; P72-Q75 PolarHBondContact O-N 2.52Å
73Q93.8Very high94.3Very high112 Ų11252.2 Ų52.252%0.52328%0.282SS..Hα-helixtrans-62.3-21.4178.1-59.583.3100113.5P71 Q75 W79P71-Q73 PolarHBondContact O-N 3.31Å; P71-Q73 VanDerWaalsContact O-N 3.09Å; Q73-Q75 VanDerWaalsContact C-N 3.29Å; Q73-W79 HydrophobicContact CB-CZ2 4.32Å
74S94.1Very high94.5Very high3 Ų352.6 Ų52.62%0.02128%0.278CS..Hα-helixtrans-70.3-27.5173.868.60000112.4P71 P72 D76 G77P71-S74 VanDerWaalsContact O-CB 3.31Å; P71-S74 WeakPolarHBondContact O-CB 3.38Å; P71-S74 PolarHBondContact O-N 2.73Å; P71-S74 PolarHBondContact O-OG 3.17Å; P72-S74 PolarHBondContact O-N 3.41Å; P72-S74 VanDerWaalsContact O-N 3.12Å; S74-D76 VanDerWaalsContact C-N 3.32Å; S74-G77 PolarHBondContact O-N 2.96Å; S74-G77 VanDerWaalsContact O-O 3.09Å
75Q94.8Very high94.7Very high53 Ų5349 Ų4925%0.24826%0.255CS..Hα-helixtrans-77.1-22.1-179.5-59.6-56-46.200112.6P72 Q73 N153 S154 R155 L156P72-Q75 WeakPolarHBondContact O-CB 3.36Å; P72-Q75 PolarHBondContact O-N 2.52Å; Q73-Q75 VanDerWaalsContact C-N 3.29Å; Q75-N153 PolarHBondContact NE2-O 3.11Å; Q75-N153 VanDerWaalsContact NE2-O 3.14Å; Q75-S154 PolarHBondContact O-OG 2.93Å; Q75-R155 HydrophobicContact CB-CB 4.17Å; Q75-R155 PolarHBondContact O-N 3.49Å; Q75-L156 WeakPolarHBondContact O-CB 3.4Å; Q75-L156 PolarHBondContact O-N 3.32Å
76D94.6Very high94.9Very high94 Ų9449.2 Ų49.250%0.50326%0.258SS..THydrogen-bonded Turntrans-94.90176.4-55.6-35.8000112.4S74 R155 L156S74-D76 VanDerWaalsContact C-N 3.32Å; D76-R155 IonicContact OD1-NH2 3.79Å; D76-L156 WeakPolarHBondContact O-CD1 3.34Å
77G94.7Very high94.9Very high0 Ų047.1 Ų47.10%025%0.253CS..SBendtrans-132.6-172.5-178.800000112.6S74 N125 S154S74-G77 PolarHBondContact O-N 2.96Å; S74-G77 VanDerWaalsContact O-O 3.09Å; G77-N125 WeakPolarHBondContact CA-O 3.47Å; G77-S154 VanDerWaalsContact O-CB 3.24Å; G77-S154 WeakPolarHBondContact O-CB 3.45Å; G77-S154 PolarHBondContact O-OG 3Å
78L96.1Very high95Very high1 Ų146.8 Ų46.81%0.00524%0.24CC..BIsolated β-bridgetrans-124.298.4177.8-65.5173.7000110.5I124 N125 V126 T127 T130 F140 I144 L152 L156L78-I124 HydrophobicContact CB-CG2 4.26Å; L78-I124 HydrophobicContact CD1-CD1 4.13Å; L78-I124 HydrophobicContact CD1-CG2 4.17Å; L78-I124 HydrophobicContact CG-CG2 3.99Å; L78-N125 PolarHBondContact N-O 3.32Å; L78-V126 HydrophobicContact CB-CG1 4.33Å; L78-V126 WeakPolarHBondContact O-CA 3.48Å; L78-T127 PolarHBondContact O-N 2.93Å; L78-T130 HydrophobicContact CB-CG2 3.95Å; L78-T130 PolarHBondContact O-OG1 2.99Å; L78-F140 HydrophobicContact CD1-CE2 3.59Å; L78-F140 HydrophobicContact CD1-CZ 4.12Å; L78-I144 HydrophobicContact CD1-CD1 4.08Å; L78-I144 HydrophobicContact CD2-CD1 4.18Å; L78-L152 HydrophobicContact CD2-CD1 3.97Å; L78-L156 HydrophobicContact CG-CD2 4.43Å
79W96.2Very high95.1Very high17 Ų1750.1 Ų50.16%0.06425%0.249CC..  trans-99.7-3.3-172.9-66.217000114P71 Q73 G81 E82 P106 V108 T127P71-W79 HydrophobicContact CG-CH2 3.41Å; P71-W79 VanDerWaalsContact CG-CH2 3.41Å; P71-W79 HydrophobicContact CG-CZ2 4.44Å; P71-W79 HydrophobicContact CG-CZ3 3.69Å; Q73-W79 HydrophobicContact CB-CZ2 4.32Å; W79-G81 VanDerWaalsContact C-N 3.31Å; W79-G81 PolarHBondContact O-N 2.87Å; W79-E82 WeakPolarHBondContact O-CB 3.33Å; W79-E82 PolarHBondContact O-N 2.95Å; W79-P106 HydrophobicContact CE3-CG 3.92Å; W79-P106 HydrophobicContact CZ3-CG 3.87Å; W79-V108 HydrophobicContact CZ2-CG2 4Å; W79-T127 HydrophobicContact CB-CG2 3.95Å; W79-T127 HydrophobicContact CG-CG2 4.05Å; W79-T127 PolarHBondContact O-OG1 3.3Å
80G92.6Very high95.2Very high5 Ų548.2 Ų48.25%0.05224%0.242CC..THydrogen-bonded Turntrans63.135.2172.700000114E82 R129 T130G80-E82 VanDerWaalsContact C-N 3.3Å; G80-E82 PolarHBondContact O-N 2.96Å; G80-R129 WeakPolarHBondContact O-CD 3.46Å; G80-R129 PolarHBondContact O-NE 3.34Å; G80-T130 PolarHBondContact N-OG1 3.06Å; G80-T130 VanDerWaalsContact N-OG1 3.12Å
81G91.9Very high95.1Very high9 Ų946 Ų469%0.09324%0.239CC..THydrogen-bonded Turntrans80.81.4-176.100000114.7Y70 W79 D151Y70-G81 PolarHBondContact OH-O 3.13Å; W79-G81 VanDerWaalsContact C-N 3.31Å; W79-G81 PolarHBondContact O-N 2.87Å; G81-D151 PolarHBondContact N-O 3.26Å
82E94.9Very high95Very high36 Ų3653.2 Ų53.217%0.16828%0.277CS..  trans-76.9153.4170.9-65.5-174.5-17400112V40 Y70 W79 G80 P106 T127 R129V40-E82 HydrophobicContact CG1-CG 3.86Å; Y70-E82 VanDerWaalsContact CE1-O 3.31Å; Y70-E82 WeakPolarHBondContact CE1-O 3.3Å; W79-E82 WeakPolarHBondContact O-CB 3.33Å; W79-E82 PolarHBondContact O-N 2.95Å; G80-E82 VanDerWaalsContact C-N 3.3Å; G80-E82 PolarHBondContact O-N 2.96Å; E82-P106 HydrophobicContact CB-CB 4.07Å; E82-P106 WeakPolarHBondContact OE2-CB 3.5Å; E82-T127 HydrophobicContact CB-CG2 4.38Å; E82-R129 WeakPolarHBondContact OE1-CB 3.48Å; E82-R129 WeakPolarHBondContact OE1-CD 3.41Å
83G95.1Very high94.9Very high2 Ų255.8 Ų55.82%0.02129%0.286CS..  trans-168.1-171.2177.600000110.7V68V68-G83 VanDerWaalsContact CG1-CA 3.42Å
84W96.5Very high94.9Very high75 Ų7554.3 Ų54.328%0.28428%0.282SS..BIsolated β-bridgetrans-84.4128.5-178.1-67.213.1000109.9Y69 P71 V103 W104 K105Y69-W84 HydrophobicContact CD1-CB 4.22Å; Y69-W84 HydrophobicContact CD1-CE3 4.16Å; Y69-W84 HydrophobicContact CE1-CE3 4.35Å; Y69-W84 PolarHBondContact N-O 3.34Å; Y69-W84 PolarHBondContact O-N 3.22Å; P71-W84 HydrophobicContact CG-CD2 4.46Å; P71-W84 HydrophobicContact CG-CZ2 4.37Å; W84-V103 HydrophobicContact CB-CG1 4.5Å; W84-V103 HydrophobicContact CE3-CG1 4.47Å; W84-W104 WeakPolarHBondContact CA-O 3.42Å; W84-K105 HydrophobicContact CD2-CD 4.39Å; W84-K105 HydrophobicContact CD2-CG 4.11Å; W84-K105 HydrophobicContact CG-CG 4.24Å; W84-K105 HydrophobicContact CH2-CD 4.43Å; W84-K105 HydrophobicContact CZ2-CD 3.94Å; W84-K105 HydrophobicContact CZ2-CG 4.49Å
85I97.1Very high94.9Very high29 Ų2962 Ų6215%0.14931%0.314CS..EExtended strand (participates in β ladder)trans-102.8118173-51.9171.8000107.1H41 I66 V103 W104H41-I85 HydrophobicContact CB-CD1 3.55Å; H41-I85 VanDerWaalsContact CG-CD1 3.44Å; I66-I85 HydrophobicContact CG2-CG2 3.96Å; I85-V103 CarbonylContact O-C 3.55Å; I85-V103 VanDerWaalsContact O-CA 3.32Å; I85-V103 WeakPolarHBondContact O-CA 3.33Å; I85-W104 HydrophobicContact CB-CB 4.37Å; I85-W104 HydrophobicContact CB-CE3 4.12Å; I85-W104 HydrophobicContact CG2-CE3 4.02Å; I85-W104 HydrophobicContact CG2-CZ3 4.4Å; I85-W104 PolarHBondContact N-O 3.48Å; I85-W104 PolarHBondContact O-N 2.79Å
86S95.8Very high94.9Very high87 Ų8767.4 Ų67.461%0.60834%0.342SS*.EExtended strand (participates in β ladder)trans-102.1124.8170.557.90000109
87G95.7Very high95Very high23 Ų2364.3 Ų64.324%0.23733%0.328CS..EExtended strand (participates in β ladder)trans-161-162.4-177.900000112.6K102G87-K102 PolarHBondContact N-O 2.89Å; G87-K102 PolarHBondContact O-N 3.34Å; G87-K102 VanDerWaalsContact O-O 3.14Å
88F95.8Very high95Very high107 Ų10770.5 Ų70.547%0.46936%0.361SS..EExtended strand (participates in β ladder)trans-123.1144.5-179.8-62-90.5000110R99 L100 K101F88-R99 HydrophobicContact CB-CG 3.74Å; F88-R99 HydrophobicContact CD1-CG 3.84Å; F88-R99 HydrophobicContact CG-CG 4.09Å; F88-L100 CarbonylContact C-O 3.54Å; F88-L100 VanDerWaalsContact CA-O 3.27Å; F88-L100 WeakPolarHBondContact CA-O 3.15Å; F88-K101 HydrophobicContact CD1-CG 3.83Å; F88-K101 HydrophobicContact CE1-CD 4.27Å; F88-K101 HydrophobicContact CE1-CG 3.39Å; F88-K101 HydrophobicContact CZ-CG 4.15Å
89R95.8Very high95Very high106 Ų10677.9 Ų77.940%0.439%0.388SS..EExtended strand (participates in β ladder)trans-125.4149.9167.860.9175.4-81157.2-8.4109.2L100 K102R89-L100 HydrophobicContact CG-CB 4.29Å; R89-L100 PolarHBondContact N-O 3.33Å; R89-L100 PolarHBondContact O-N 3.25Å; R89-K102 HydrophobicContact CG-CB 4.03Å
90Y96.9Very high95Very high91 Ų9181.2 Ų81.236%0.35741%0.407SS..EExtended strand (participates in β ladder)trans-86.5148.1167.9-69.1-77.2000110.2N93 D94 K95 S97 R99Y90-N93 PolarHBondContact O-N 3.04Å; Y90-D94 VanDerWaalsContact CB-O 3.23Å; Y90-D94 WeakPolarHBondContact CB-O 3.36Å; Y90-K95 HydrophobicContact CE2-CG 4.45Å; Y90-S97 WeakPolarHBondContact CD1-O 3.17Å; Y90-R99 HydrophobicContact CD1-CB 4.06Å; Y90-R99 HydrophobicContact CD1-CG 4.47Å; Y90-R99 HydrophobicContact CE1-CB 3.8Å; Y90-R99 HydrophobicContact CE1-CG 4.13Å
91A94.3Very high95.2Very high27 Ų2789.6 Ų89.622%0.22344%0.442CS..G310 helixtrans-62.6140.9173.300000110N93 D94 S97 N98 L100A91-N93 PolarHBondContact O-N 3.06Å; A91-D94 PolarHBondContact O-N 2.78Å; A91-S97 WeakPolarHBondContact CA-OG 3.46Å; A91-S97 PolarHBondContact N-OG 3.27Å; A91-S97 PolarHBondContact O-OG 3.47Å; A91-N98 PolarHBondContact N-O 3.1Å; A91-N98 VanDerWaalsContact N-O 3.08Å; A91-L100 HydrophobicContact CB-CD1 4.49Å
92N92.6Very high95.5Very high153 Ų15393.5 Ų93.582%0.81846%0.457SS*.G310 helixtrans52.217.3-177.6-54.8-21.9000115.5D94N92-D94 PolarHBondContact O-N 3.35Å
93N93.1Very high95.6Very high141 Ų14195.2 Ų95.275%0.75447%0.469SS*.G310 helixtrans57.822.6-171.9-58.1-27.6000114.8Y90 A91Y90-N93 PolarHBondContact O-N 3.04Å; A91-N93 PolarHBondContact O-N 3.06Å
94D94.8Very high95.7Very high82 Ų82100 Ų10044%0.43949%0.487SS..  trans-99.3124.5176.2177.712.5000110.9Y90 A91 N92 M96 S97Y90-D94 VanDerWaalsContact CB-O 3.23Å; Y90-D94 WeakPolarHBondContact CB-O 3.36Å; A91-D94 PolarHBondContact O-N 2.78Å; N92-D94 PolarHBondContact O-N 3.35Å; D94-M96 PolarHBondContact O-N 2.99Å; D94-M96 PolarHBondContact OD1-N 3.12Å; D94-S97 WeakPolarHBondContact O-CB 3.49Å; D94-S97 PolarHBondContact O-N 2.59Å; D94-S97 PolarHBondContact O-OG 3.46Å
95K93.8Very high95.7Very high163 Ų163102.9 Ų102.971%0.70950%0.501SS*.THydrogen-bonded Turntrans-60.3-26.5179.8-169.4-178.3178.3-170.50113Y90 S97Y90-K95 HydrophobicContact CE2-CG 4.45Å; K95-S97 VanDerWaalsContact C-N 3.27Å
96M94.9Very high95.6Very high167 Ų167102.7 Ų102.782%0.82350%0.502SS*.THydrogen-bonded Turntrans-79.7-11179.1-60.8-56.9-65.600113.2D94D94-M96 PolarHBondContact O-N 2.99Å; D94-M96 PolarHBondContact OD1-N 3.12Å
97S95.7Very high95.7Very high30 Ų30104.7 Ų104.721%0.2150%0.502CS..SBendtrans-85.9175.8178.578.70000112.9Y90 A91 D94 K95Y90-S97 WeakPolarHBondContact CD1-O 3.17Å; A91-S97 WeakPolarHBondContact CA-OG 3.46Å; A91-S97 PolarHBondContact N-OG 3.27Å; A91-S97 PolarHBondContact O-OG 3.47Å; D94-S97 WeakPolarHBondContact O-CB 3.49Å; D94-S97 PolarHBondContact O-N 2.59Å; D94-S97 PolarHBondContact O-OG 3.46Å; K95-S97 VanDerWaalsContact C-N 3.27Å
98N95.3Very high95.7Very high130 Ų130106.6 Ų106.670%0.69551%0.508SS*.  trans-64.3137.1179.8-71.1-18.9000113A91A91-N98 PolarHBondContact N-O 3.1Å; A91-N98 VanDerWaalsContact N-O 3.08Å
99R96.7Very high95.7Very high155 Ų155103.6 Ų103.659%0.58550%0.497SS*.EExtended strand (participates in β ladder)trans-85.2118.4175.2-170.6175.867.7160.3-1.5110.8F88 Y90F88-R99 HydrophobicContact CB-CG 3.74Å; F88-R99 HydrophobicContact CD1-CG 3.84Å; F88-R99 HydrophobicContact CG-CG 4.09Å; Y90-R99 HydrophobicContact CD1-CB 4.06Å; Y90-R99 HydrophobicContact CD1-CG 4.47Å; Y90-R99 HydrophobicContact CE1-CB 3.8Å; Y90-R99 HydrophobicContact CE1-CG 4.13Å
100L96.7Very high95.8Very high87 Ų87101.9 Ų101.946%0.45550%0.502SS..EExtended strand (participates in β ladder)trans-110.6138.8-177.2-58.6174.5000111.1F88 R89 A91F88-L100 CarbonylContact C-O 3.54Å; F88-L100 VanDerWaalsContact CA-O 3.27Å; F88-L100 WeakPolarHBondContact CA-O 3.15Å; R89-L100 HydrophobicContact CG-CB 4.29Å; R89-L100 PolarHBondContact N-O 3.33Å; R89-L100 PolarHBondContact O-N 3.25Å; A91-L100 HydrophobicContact CB-CD1 4.49Å
101K96.9Very high95.8Very high181 Ų181104 Ų10479%0.78751%0.509SS*.EExtended strand (participates in β ladder)trans-71.6133.1170.7-69.3177.7-178.3179.50109.4F88F88-K101 HydrophobicContact CD1-CG 3.83Å; F88-K101 HydrophobicContact CE1-CD 4.27Å; F88-K101 HydrophobicContact CE1-CG 3.39Å; F88-K101 HydrophobicContact CZ-CG 4.15Å
102K96.6Very high95.9Very high92 Ų92109.2 Ų109.240%0.453%0.529SS..EExtended strand (participates in β ladder)trans-135.5137.2175.7-176.965176-179.20109.6G87 R89 W104G87-K102 PolarHBondContact N-O 2.89Å; G87-K102 PolarHBondContact O-N 3.34Å; G87-K102 VanDerWaalsContact O-O 3.14Å; R89-K102 HydrophobicContact CG-CB 4.03Å; K102-W104 HydrophobicContact CB-CE3 4.5Å; K102-W104 HydrophobicContact CB-CH2 3.84Å; K102-W104 HydrophobicContact CB-CZ2 3.94Å; K102-W104 HydrophobicContact CB-CZ3 4.13Å; K102-W104 HydrophobicContact CG-CD2 3.89Å; K102-W104 HydrophobicContact CG-CE3 4.24Å; K102-W104 HydrophobicContact CG-CH2 3.99Å; K102-W104 HydrophobicContact CG-CZ2 3.61Å; K102-W104 HydrophobicContact CG-CZ3 4.28Å
103V97.1Very high96.1Very high71 Ų71103 Ų10343%0.4350%0.495SS..EExtended strand (participates in β ladder)trans-111.3125.8169.3-175.70000107.7W84 I85 K105W84-V103 HydrophobicContact CB-CG1 4.5Å; W84-V103 HydrophobicContact CE3-CG1 4.47Å; I85-V103 CarbonylContact O-C 3.55Å; I85-V103 VanDerWaalsContact O-CA 3.32Å; I85-V103 WeakPolarHBondContact O-CA 3.33Å; V103-K105 HydrophobicContact CG1-CG 4.27Å
104W97.3Very high96.2Very high104 Ų104100.6 Ų100.639%0.39448%0.476SS..EExtended strand (participates in β ladder)trans-100.6125.4172.2-62.6-94.4000108.3W84 I85 K102W84-W104 WeakPolarHBondContact CA-O 3.42Å; I85-W104 HydrophobicContact CB-CB 4.37Å; I85-W104 HydrophobicContact CB-CE3 4.12Å; I85-W104 HydrophobicContact CG2-CE3 4.02Å; I85-W104 HydrophobicContact CG2-CZ3 4.4Å; I85-W104 PolarHBondContact N-O 3.48Å; I85-W104 PolarHBondContact O-N 2.79Å; K102-W104 HydrophobicContact CB-CE3 4.5Å; K102-W104 HydrophobicContact CB-CH2 3.84Å; K102-W104 HydrophobicContact CB-CZ2 3.94Å; K102-W104 HydrophobicContact CB-CZ3 4.13Å; K102-W104 HydrophobicContact CG-CD2 3.89Å; K102-W104 HydrophobicContact CG-CE3 4.24Å; K102-W104 HydrophobicContact CG-CH2 3.99Å; K102-W104 HydrophobicContact CG-CZ2 3.61Å; K102-W104 HydrophobicContact CG-CZ3 4.28Å
105K96.4Very high96.3Very high135 Ų13596.7 Ų96.759%0.58746%0.455SS*.  trans-112.9142.6179.5-62.4-173.8178.5-176.10109W84 V103W84-K105 HydrophobicContact CD2-CD 4.39Å; W84-K105 HydrophobicContact CD2-CG 4.11Å; W84-K105 HydrophobicContact CG-CG 4.24Å; W84-K105 HydrophobicContact CH2-CD 4.43Å; W84-K105 HydrophobicContact CZ2-CD 3.94Å; W84-K105 HydrophobicContact CZ2-CG 4.49Å; V103-K105 HydrophobicContact CG1-CG 4.27Å
106P96.4Very high96.2Very high24 Ų2491.8 Ų91.816%0.15644%0.435CS..  trans-72.2160.5174.731.9-34.6000110.8W79 E82 T127W79-P106 HydrophobicContact CE3-CG 3.92Å; W79-P106 HydrophobicContact CZ3-CG 3.87Å; E82-P106 HydrophobicContact CB-CB 4.07Å; E82-P106 WeakPolarHBondContact OE2-CB 3.5Å; P106-T127 HydrophobicContact CB-CG2 4.18Å
107Q96.3Very high96.1Very high130 Ų13084 Ų8461%0.60740%0.396SS*.  trans-84.2122.9170.3-176.41761.300109L109 P128Q107-L109 HydrophobicContact CG-CD2 4.39Å; Q107-P128 VanDerWaalsContact O-CD 3.22Å; Q107-P128 WeakPolarHBondContact O-CD 3.27Å
108V96.4Very high95.9Very high62 Ų6283.1 Ų83.138%0.37639%0.389SS..  trans-110.9132.7179.9-176.70000109.1W79 N125W79-V108 HydrophobicContact CZ2-CG2 4Å; V108-N125 HydrophobicContact CG1-CB 3.75Å
109L96.8Very high95.8Very high44 Ų4480.3 Ų80.323%0.2337%0.374CS..EExtended strand (participates in β ladder)trans-123.4139.5-179.1-58.1174.1000108.7Q107 R111 N125 V126 P128Q107-L109 HydrophobicContact CG-CD2 4.39Å; L109-R111 HydrophobicContact CB-CG 4.39Å; L109-N125 CarbonylContact O-C 3.56Å; L109-N125 WeakPolarHBondContact O-CA 3.35Å; L109-V126 HydrophobicContact CB-CG2 4.48Å; L109-V126 PolarHBondContact N-O 3.24Å; L109-V126 WeakPolarHBondContact O-CG2 3.49Å; L109-V126 PolarHBondContact O-N 2.92Å; L109-P128 HydrophobicContact CD1-CG 4.18Å
110S96.9Very high95.6Very high71 Ų7177.9 Ų77.950%0.49737%0.369SS..EExtended strand (participates in β ladder)trans-89.5123169.7-176.80000109.1
111R96.7Very high95.5Very high136 Ų13680.5 Ų80.551%0.51338%0.377SS..EExtended strand (participates in β ladder)trans-137151.9-178.5-63.9-63.8-179.3-173.71.1110.8L109 T123 I124 V126L109-R111 HydrophobicContact CB-CG 4.39Å; R111-T123 WeakPolarHBondContact O-CA 3.25Å; R111-I124 PolarHBondContact N-O 2.74Å; R111-I124 PolarHBondContact O-N 3.2Å; R111-V126 HydrophobicContact CB-CG2 3.87Å; R111-V126 HydrophobicContact CG-CG2 3.71Å
112E96.8Very high95.4Very high136 Ų13674.1 Ų74.164%0.63635%0.349SS*.EExtended strand (participates in β ladder)trans-92.8124.9172.8-69.2-178.4-17200110F122 T123E112-F122 CarbonylContact C-O 3.44Å; E112-F122 VanDerWaalsContact CA-O 3.31Å; E112-F122 WeakPolarHBondContact CA-O 3.34Å; E112-T123 HydrophobicContact CG-CG2 4.44Å
113L95.9Very high95.5Very high22 Ų2274.3 Ų74.312%0.11536%0.358CS..EExtended strand (participates in β ladder)trans-120136.1177.3-61.5176.6000109.2K121 F122 V126 I134 F140L113-K121 CarbonylContact O-C 3.57Å; L113-K121 WeakPolarHBondContact O-CA 3.38Å; L113-F122 PolarHBondContact N-O 3.07Å; L113-F122 PolarHBondContact O-N 3.45Å; L113-V126 HydrophobicContact CD1-CG1 4.09Å; L113-I134 HydrophobicContact CD1-CD1 3.88Å; L113-I134 HydrophobicContact CD2-CD1 4.45Å; L113-F140 HydrophobicContact CB-CD2 4.27Å; L113-F140 HydrophobicContact CB-CE2 4.45Å; L113-F140 HydrophobicContact CB-CG 4.31Å; L113-F140 HydrophobicContact CD1-CD2 3.68Å; L113-F140 HydrophobicContact CD1-CE2 3.66Å; L113-F140 HydrophobicContact CD1-CG 4.49Å; L113-F140 HydrophobicContact CD1-CZ 4.48Å
114Y96.4Very high95.4Very high91 Ų9171.2 Ų71.236%0.35734%0.34SS..EExtended strand (participates in β ladder)trans-101.8138.6177.1176.8-106.3000110.5E116 D119 K121 Y176Y114-E116 HydrophobicContact CE1-CG 4.11Å; Y114-D119 PolarHBondContact OH-OD1 3.4Å; Y114-K121 HydrophobicContact CD2-CG 3.75Å; Y114-K121 HydrophobicContact CG-CG 4.48Å; Y114-Y176 PolarHBondContact OH-OH 2.97Å
115S95.3Very high95.4Very high0 Ų069.8 Ų69.80%034%0.339CS..EExtended strand (participates in β ladder)trans-110128.7172.8175.50000109.8L118 D119 H120 D141 M164S115-L118 WeakPolarHBondContact OG-CB 3.43Å; S115-L118 PolarHBondContact OG-N 3.47Å; S115-L118 VanDerWaalsContact OG-N 3.12Å; S115-D119 VanDerWaalsContact O-CA 3.26Å; S115-D119 WeakPolarHBondContact O-CA 3.42Å; S115-D119 PolarHBondContact O-N 3.49Å; S115-H120 PolarHBondContact N-O 2.98Å; S115-H120 PolarHBondContact O-N 2.92Å; S115-D141 WeakPolarHBondContact CA-OD1 3.5Å; S115-D141 WeakPolarHBondContact CB-OD1 3.33Å; S115-D141 VanDerWaalsContact OG-CG 3.31Å; S115-D141 PolarHBondContact OG-OD1 3.39Å; S115-D141 PolarHBondContact OG-OD2 3.05Å; S115-M164 WeakPolarHBondContact OG-CE 3.39Å
116E92.9Very high95.4Very high60 Ų6063.3 Ų63.328%0.2831%0.311SS..THydrogen-bonded Turntrans-75.4-39.4176.5-63.7174.4-158.400110.7Y114 L118 D141 V186 K189 Y190Y114-E116 HydrophobicContact CE1-CG 4.11Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-D141 WeakPolarHBondContact CA-OD2 3.29Å; E116-D141 WeakPolarHBondContact CB-OD2 3.32Å; E116-D141 PolarHBondContact N-OD2 3.14Å; E116-V186 HydrophobicContact CB-CG1 4.42Å; E116-V186 HydrophobicContact CB-CG2 4.5Å; E116-K189 IonicContact OE1-NZ 2.73Å; E116-K189 PolarHBondContact OE1-NZ 3.45Å; E116-K189 IonicContact OE2-NZ 2.74Å; E116-K189 PolarHBondContact OE2-NZ 3Å; E116-Y190 HydrophobicContact CB-CE2 4.46Å; E116-Y190 PolarHBondContact OE2-OH 3.34Å
117I92.8Very high95.4Very high2 Ų262.2 Ų62.21%0.0130%0.304CS..THydrogen-bonded Turntrans-68.4-37.5178.6-59171.3000110.8D141 L145 M164 R167 L168 L175 Y190I117-D141 HydrophobicContact CD1-CB 3.93Å; I117-D141 HydrophobicContact CG1-CB 4.34Å; I117-D141 PolarHBondContact N-OD2 3.16Å; I117-L145 HydrophobicContact CD1-CD1 3.75Å; I117-M164 HydrophobicContact CB-CG 4.21Å; I117-M164 HydrophobicContact CD1-CB 4.13Å; I117-M164 HydrophobicContact CD1-CG 4.23Å; I117-M164 HydrophobicContact CD1-SD 4.4Å; I117-M164 HydrophobicContact CG2-CB 4.02Å; I117-M164 HydrophobicContact CG2-CG 4.11Å; I117-R167 HydrophobicContact CG2-CB 4.1Å; I117-R167 WeakPolarHBondContact O-CD 3.24Å; I117-R167 PolarHBondContact O-NH1 3.34Å; I117-L168 HydrophobicContact CD1-CD1 4.24Å; I117-L175 WeakPolarHBondContact O-CD1 3.39Å; I117-Y190 HydrophobicContact CD1-CD1 4Å; I117-Y190 HydrophobicContact CD1-CD2 3.81Å; I117-Y190 HydrophobicContact CD1-CE1 4.29Å; I117-Y190 HydrophobicContact CD1-CE2 4.14Å; I117-Y190 HydrophobicContact CD1-CG 3.77Å; I117-Y190 HydrophobicContact CG1-CD2 3.65Å; I117-Y190 HydrophobicContact CG1-CE2 3.79Å; I117-Y190 HydrophobicContact CG1-CG 4.15Å
118L91.8Very high95.4Very high13 Ų1358.1 Ų58.17%0.06829%0.289CS..THydrogen-bonded Turntrans-89.8-14.5-178.6-59.9178000113.6S115 E116 H120 F122 L160 A163 M164 R167S115-L118 WeakPolarHBondContact OG-CB 3.43Å; S115-L118 PolarHBondContact OG-N 3.47Å; S115-L118 VanDerWaalsContact OG-N 3.12Å; E116-L118 VanDerWaalsContact C-N 3.34Å; L118-H120 PolarHBondContact O-N 2.93Å; L118-F122 HydrophobicContact CB-CE2 4.3Å; L118-F122 HydrophobicContact CB-CZ 4.3Å; L118-F122 HydrophobicContact CD1-CE2 3.93Å; L118-F122 HydrophobicContact CD1-CZ 3.71Å; L118-L160 HydrophobicContact CD1-CD2 3.74Å; L118-A163 HydrophobicContact CD2-CB 4.09Å; L118-M164 HydrophobicContact CD1-CE 3.99Å; L118-M164 HydrophobicContact CD1-CG 4.18Å; L118-M164 HydrophobicContact CD2-CG 4.24Å; L118-M164 HydrophobicContact CG-CE 4.37Å; L118-M164 HydrophobicContact CG-CG 4Å; L118-R167 PolarHBondContact O-NH1 3.32Å
119D91.9Very high95.4Very high71 Ų7158.4 Ų58.438%0.3828%0.283SS..THydrogen-bonded Turntrans46.442.9-170.2-164.831.9000113.4Y114 S115 L175 Y176Y114-D119 PolarHBondContact OH-OD1 3.4Å; S115-D119 VanDerWaalsContact O-CA 3.26Å; S115-D119 WeakPolarHBondContact O-CA 3.42Å; S115-D119 PolarHBondContact O-N 3.49Å; D119-L175 HydrophobicContact CB-CD1 3.9Å; D119-Y176 HydrophobicContact CB-CE1 4.1Å; D119-Y176 WeakPolarHBondContact OD1-CE1 3.46Å; D119-Y176 PolarHBondContact OD1-OH 2.64Å; D119-Y176 VanDerWaalsContact OD2-CE1 3.23Å; D119-Y176 WeakPolarHBondContact OD2-CE1 3.43Å
120H92.8Very high95.4Very high103 Ų10356.3 Ų56.348%0.47727%0.272SS..EExtended strand (participates in β ladder)trans-141.9145.8-173.7-169.1-90.3000111.6S115 L118 F122S115-H120 PolarHBondContact N-O 2.98Å; S115-H120 PolarHBondContact O-N 2.92Å; L118-H120 PolarHBondContact O-N 2.93Å; H120-F122 HydrophobicContact CB-CE2 4.02Å; H120-F122 HydrophobicContact CB-CZ 3.89Å; H120-F122 AromaticContact ND1-CD1 3.63Å; H120-F122 AromaticContact ND1-CE1 3.39Å; H120-F122 WeakPolarHBondContact ND1-CE1 3.3Å; H120-F122 AromaticContact ND1-CE2 3.96Å; H120-F122 AromaticContact ND1-CZ 3.57Å
121K95.8Very high95.4Very high142 Ų14255.2 Ų55.262%0.61726%0.261SS*.EExtended strand (participates in β ladder)trans-96127.9174.4-65.3-177-178-179.50110L113 Y114L113-K121 CarbonylContact O-C 3.57Å; L113-K121 WeakPolarHBondContact O-CA 3.38Å; Y114-K121 HydrophobicContact CD2-CG 3.75Å; Y114-K121 HydrophobicContact CG-CG 4.48Å
122F95Very high95.4Very high47 Ų4753.9 Ų53.921%0.20626%0.264CS..EExtended strand (participates in β ladder)trans-114130.2-179.9-58.8-83.8000110.5E112 L113 L118 H120 I124 L160E112-F122 CarbonylContact C-O 3.44Å; E112-F122 VanDerWaalsContact CA-O 3.31Å; E112-F122 WeakPolarHBondContact CA-O 3.34Å; L113-F122 PolarHBondContact N-O 3.07Å; L113-F122 PolarHBondContact O-N 3.45Å; L118-F122 HydrophobicContact CB-CE2 4.3Å; L118-F122 HydrophobicContact CB-CZ 4.3Å; L118-F122 HydrophobicContact CD1-CE2 3.93Å; L118-F122 HydrophobicContact CD1-CZ 3.71Å; H120-F122 HydrophobicContact CB-CE2 4.02Å; H120-F122 HydrophobicContact CB-CZ 3.89Å; H120-F122 AromaticContact ND1-CD1 3.63Å; H120-F122 AromaticContact ND1-CE1 3.39Å; H120-F122 WeakPolarHBondContact ND1-CE1 3.3Å; H120-F122 AromaticContact ND1-CE2 3.96Å; H120-F122 AromaticContact ND1-CZ 3.57Å; F122-I124 HydrophobicContact CB-CD1 3.62Å; F122-I124 HydrophobicContact CB-CG1 3.72Å; F122-I124 HydrophobicContact CG-CD1 4.37Å; F122-I124 PolarHBondContact O-N 3.39Å; F122-L160 HydrophobicContact CE1-CD2 4.1Å; F122-L160 HydrophobicContact CE2-CD2 4.34Å; F122-L160 HydrophobicContact CZ-CD2 3.94Å
123T96.8Very high95.4Very high96 Ų9650.3 Ų50.359%0.58925%0.248SC*.EExtended strand (participates in β ladder)trans-88.9101.1169.2-46.50000108.7R111 E112R111-T123 WeakPolarHBondContact O-CA 3.25Å; E112-T123 HydrophobicContact CG-CG2 4.44Å
124I95.9Very high95.4Very high7 Ų749.8 Ų49.84%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-118.8142.4-172.7-59.5172.1000110.2L78 R111 F122 V126 F140 L156 L160L78-I124 HydrophobicContact CB-CG2 4.26Å; L78-I124 HydrophobicContact CD1-CD1 4.13Å; L78-I124 HydrophobicContact CD1-CG2 4.17Å; L78-I124 HydrophobicContact CG-CG2 3.99Å; R111-I124 PolarHBondContact N-O 2.74Å; R111-I124 PolarHBondContact O-N 3.2Å; F122-I124 HydrophobicContact CB-CD1 3.62Å; F122-I124 HydrophobicContact CB-CG1 3.72Å; F122-I124 HydrophobicContact CG-CD1 4.37Å; F122-I124 PolarHBondContact O-N 3.39Å; I124-V126 HydrophobicContact CB-CG1 4.32Å; I124-V126 HydrophobicContact CG2-CG1 4.02Å; I124-V126 PolarHBondContact O-N 2.97Å; I124-F140 HydrophobicContact CD1-CZ 4.13Å; I124-L156 HydrophobicContact CD1-CD2 4.04Å; I124-L160 HydrophobicContact CD1-CD1 4.26Å
125N96.7Very high95.5Very high73 Ų7350.8 Ų50.839%0.3926%0.257SS..EExtended strand (participates in β ladder)trans-76.2113.1168.8-71.4-29.5000110.2G77 L78 V108 L109G77-N125 WeakPolarHBondContact CA-O 3.47Å; L78-N125 PolarHBondContact N-O 3.32Å; V108-N125 HydrophobicContact CG1-CB 3.75Å; L109-N125 CarbonylContact O-C 3.56Å; L109-N125 WeakPolarHBondContact O-CA 3.35Å
126V96.8Very high95.5Very high0 Ų054.2 Ų54.20%029%0.285CS..EExtended strand (participates in β ladder)trans-122152.1-175.2-61.20000111.8L78 L109 R111 L113 I124 T130 L131L78-V126 HydrophobicContact CB-CG1 4.33Å; L78-V126 WeakPolarHBondContact O-CA 3.48Å; L109-V126 HydrophobicContact CB-CG2 4.48Å; L109-V126 PolarHBondContact N-O 3.24Å; L109-V126 WeakPolarHBondContact O-CG2 3.49Å; L109-V126 PolarHBondContact O-N 2.92Å; R111-V126 HydrophobicContact CB-CG2 3.87Å; R111-V126 HydrophobicContact CG-CG2 3.71Å; L113-V126 HydrophobicContact CD1-CG1 4.09Å; I124-V126 HydrophobicContact CB-CG1 4.32Å; I124-V126 HydrophobicContact CG2-CG1 4.02Å; I124-V126 PolarHBondContact O-N 2.97Å; V126-T130 HydrophobicContact CG1-CG2 4.49Å; V126-L131 HydrophobicContact CG2-CD1 4.41Å; V126-L131 HydrophobicContact CG2-CD2 4.02Å; V126-L131 HydrophobicContact CG2-CG 4.17Å
127T97.1Very high95.7Very high0 Ų051.9 Ų51.90%028%0.277CS..  trans-92.6157.3167.958.60000110L78 W79 E82 P106 R129 T130 L131L78-T127 PolarHBondContact O-N 2.93Å; W79-T127 HydrophobicContact CB-CG2 3.95Å; W79-T127 HydrophobicContact CG-CG2 4.05Å; W79-T127 PolarHBondContact O-OG1 3.3Å; E82-T127 HydrophobicContact CB-CG2 4.38Å; P106-T127 HydrophobicContact CB-CG2 4.18Å; T127-R129 PolarHBondContact O-N 3.5Å; T127-T130 WeakPolarHBondContact O-CB 3.44Å; T127-T130 PolarHBondContact O-N 3.19Å; T127-T130 PolarHBondContact OG1-N 2.98Å; T127-T130 PolarHBondContact OG1-OG1 3.02Å; T127-L131 PolarHBondContact O-N 3.13Å
128P96.9Very high95.7Very high45 Ų4560 Ų6029%0.29231%0.312SS..Hα-helixtrans-53.6-40.6174.2-27.434.8000113Q107 L109 T130 L131 D132Q107-P128 VanDerWaalsContact O-CD 3.22Å; Q107-P128 WeakPolarHBondContact O-CD 3.27Å; L109-P128 HydrophobicContact CD1-CG 4.18Å; P128-T130 VanDerWaalsContact C-N 3.3Å; P128-T130 PolarHBondContact O-N 3.36Å; P128-L131 WeakPolarHBondContact O-CB 3.29Å; P128-L131 PolarHBondContact O-N 3.04Å; P128-D132 PolarHBondContact O-N 3.4Å
129R95.8Very high95.9Very high68 Ų6860.6 Ų60.626%0.25732%0.321SS..Hα-helixtrans-58-40.7174.9178.8-173.5175.394.42.6112.6G80 E82 T127 L131 D132 L133G80-R129 WeakPolarHBondContact O-CD 3.46Å; G80-R129 PolarHBondContact O-NE 3.34Å; E82-R129 WeakPolarHBondContact OE1-CB 3.48Å; E82-R129 WeakPolarHBondContact OE1-CD 3.41Å; T127-R129 PolarHBondContact O-N 3.5Å; R129-L131 VanDerWaalsContact C-N 3.26Å; R129-L131 PolarHBondContact O-N 3.18Å; R129-D132 PolarHBondContact O-N 3.39Å; R129-L133 HydrophobicContact CG-CD1 4.18Å; R129-L133 HydrophobicContact CG-CG 4.42Å; R129-L133 VanDerWaalsContact O-CG 3.31Å; R129-L133 WeakPolarHBondContact O-CG 3.49Å; R129-L133 PolarHBondContact O-N 2.96Å
130T96.4Very high96.1Very high0 Ų057.8 Ų57.80%031%0.305CS..Hα-helixtrans-60.5-39.9176.5-580000111L78 G80 V126 T127 P128 L133 I134 Y143L78-T130 HydrophobicContact CB-CG2 3.95Å; L78-T130 PolarHBondContact O-OG1 2.99Å; G80-T130 PolarHBondContact N-OG1 3.06Å; G80-T130 VanDerWaalsContact N-OG1 3.12Å; V126-T130 HydrophobicContact CG1-CG2 4.49Å; T127-T130 WeakPolarHBondContact O-CB 3.44Å; T127-T130 PolarHBondContact O-N 3.19Å; T127-T130 PolarHBondContact OG1-N 2.98Å; T127-T130 PolarHBondContact OG1-OG1 3.02Å; P128-T130 VanDerWaalsContact C-N 3.3Å; P128-T130 PolarHBondContact O-N 3.36Å; T130-L133 PolarHBondContact O-N 3.37Å; T130-I134 HydrophobicContact CG2-CD1 3.94Å; T130-I134 HydrophobicContact CG2-CG1 4.47Å; T130-I134 VanDerWaalsContact O-CG1 3.23Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 3.17Å; T130-Y143 HydrophobicContact CG2-CE1 4.05Å
131L96.6Very high96.2Very high48 Ų4853 Ų5325%0.25128%0.283SS..Hα-helixtrans-63.3-46176.1-61.9173.8000110.9V126 T127 P128 R129 L133 I134 D135V126-L131 HydrophobicContact CG2-CD1 4.41Å; V126-L131 HydrophobicContact CG2-CD2 4.02Å; V126-L131 HydrophobicContact CG2-CG 4.17Å; T127-L131 PolarHBondContact O-N 3.13Å; P128-L131 WeakPolarHBondContact O-CB 3.29Å; P128-L131 PolarHBondContact O-N 3.04Å; R129-L131 VanDerWaalsContact C-N 3.26Å; R129-L131 PolarHBondContact O-N 3.18Å; L131-L133 VanDerWaalsContact C-N 3.28Å; L131-L133 PolarHBondContact O-N 2.93Å; L131-I134 WeakPolarHBondContact O-CB 3.43Å; L131-I134 PolarHBondContact O-N 3.02Å; L131-I134 VanDerWaalsContact O-N 3.11Å; L131-D135 PolarHBondContact O-N 3.15Å
132D97.1Very high96.3Very high107 Ų10747.3 Ų47.357%0.57226%0.259SS*.Hα-helixtrans-59.5-38.8176.3-60.1-28.1000112.1P128 R129 D135 A136P128-D132 PolarHBondContact O-N 3.4Å; R129-D132 PolarHBondContact O-N 3.39Å; D132-D135 PolarHBondContact O-N 3.08Å; D132-A136 VanDerWaalsContact O-CB 3.31Å; D132-A136 WeakPolarHBondContact O-CB 3.37Å; D132-A136 PolarHBondContact O-N 3.4Å
133L96.9Very high96.3Very high61 Ų6145.3 Ų45.332%0.31925%0.25SC..Hα-helixtrans-70.3-34.8177-70.1174.6000112.6R129 T130 L131 A137 Y143R129-L133 HydrophobicContact CG-CD1 4.18Å; R129-L133 HydrophobicContact CG-CG 4.42Å; R129-L133 VanDerWaalsContact O-CG 3.31Å; R129-L133 WeakPolarHBondContact O-CG 3.49Å; R129-L133 PolarHBondContact O-N 2.96Å; T130-L133 PolarHBondContact O-N 3.37Å; L131-L133 VanDerWaalsContact C-N 3.28Å; L131-L133 PolarHBondContact O-N 2.93Å; L133-A137 VanDerWaalsContact O-CB 3.26Å; L133-A137 WeakPolarHBondContact O-CB 3.45Å; L133-A137 PolarHBondContact O-N 2.88Å; L133-Y143 HydrophobicContact CB-CD2 3.86Å; L133-Y143 HydrophobicContact CB-CE2 3.6Å; L133-Y143 HydrophobicContact CD1-CE2 3.97Å; L133-Y143 HydrophobicContact CG-CE2 4.41Å
134I96.8Very high96.3Very high12 Ų1240.7 Ų40.76%0.06222%0.222CC..Hα-helixtrans-65-44.5173.9-72.6164.9000110L113 T130 L131 A137 F138 G139 F140 Y143L113-I134 HydrophobicContact CD1-CD1 3.88Å; L113-I134 HydrophobicContact CD2-CD1 4.45Å; T130-I134 HydrophobicContact CG2-CD1 3.94Å; T130-I134 HydrophobicContact CG2-CG1 4.47Å; T130-I134 VanDerWaalsContact O-CG1 3.23Å; T130-I134 WeakPolarHBondContact O-CG1 3.47Å; T130-I134 PolarHBondContact O-N 3.17Å; L131-I134 WeakPolarHBondContact O-CB 3.43Å; L131-I134 PolarHBondContact O-N 3.02Å; L131-I134 VanDerWaalsContact O-N 3.11Å; I134-A137 PolarHBondContact O-N 3.42Å; I134-F138 PolarHBondContact O-N 2.93Å; I134-F138 VanDerWaalsContact O-N 3.13Å; I134-G139 PolarHBondContact O-N 3.2Å; I134-F140 HydrophobicContact CD1-CD2 4.04Å; I134-Y143 HydrophobicContact CD1-CD1 4.47Å; I134-Y143 HydrophobicContact CG1-CD1 3.79Å; I134-Y143 HydrophobicContact CG1-CD2 4.46Å; I134-Y143 HydrophobicContact CG1-CE1 4.47Å; I134-Y143 HydrophobicContact CG1-CG 3.78Å
135D96.9Very high96.3Very high112 Ų11240.8 Ų40.860%0.59922%0.222SC*.Hα-helixtrans-64.7-44.2177.7-70.5-11.1000110.9L131 D132 A137 F138L131-D135 PolarHBondContact O-N 3.15Å; D132-D135 PolarHBondContact O-N 3.08Å; D135-A137 PolarHBondContact O-N 2.97Å; D135-F138 PolarHBondContact O-N 3.32Å
136A97Very high96.3Very high71 Ų7142.5 Ų42.559%0.58723%0.226SC*.Hα-helixtrans-63.4-29.317500000113.2D132 F138D132-A136 VanDerWaalsContact O-CB 3.31Å; D132-A136 WeakPolarHBondContact O-CB 3.37Å; D132-A136 PolarHBondContact O-N 3.4Å; A136-F138 VanDerWaalsContact C-N 3.3Å
137A95.3Very high96.2Very high12 Ų1243.6 Ų43.610%0.09923%0.233CC..THydrogen-bonded Turntrans-82.7-7.1175.400000113.4L133 I134 D135 F142L133-A137 VanDerWaalsContact O-CB 3.26Å; L133-A137 WeakPolarHBondContact O-CB 3.45Å; L133-A137 PolarHBondContact O-N 2.88Å; I134-A137 PolarHBondContact O-N 3.42Å; D135-A137 PolarHBondContact O-N 2.97Å; A137-F142 HydrophobicContact CB-CB 4.26Å; A137-F142 VanDerWaalsContact O-CB 3.32Å; A137-F142 WeakPolarHBondContact O-CB 3.31Å
138F94.4Very high96Very high173 Ų17345.7 Ų45.776%0.75925%0.247SC*.THydrogen-bonded Turntrans59.838.4-173.7-55.6-78.6000113.9I134 D135 A136I134-F138 PolarHBondContact O-N 2.93Å; I134-F138 VanDerWaalsContact O-N 3.13Å; D135-F138 PolarHBondContact O-N 3.32Å; A136-F138 VanDerWaalsContact C-N 3.3Å
139G94.4Very high95.8Very high24 Ų2447.2 Ų47.225%0.24725%0.25CC..SBendtrans143156.6172.300000114.1I134 F142 Y143I134-G139 PolarHBondContact O-N 3.2Å; G139-F142 PolarHBondContact O-N 3.42Å; G139-Y143 PolarHBondContact O-N 2.79Å
140F96.2Very high95.6Very high12 Ų1246 Ų465%0.05325%0.248CC..Hα-helixtrans-61.6-48.3-176.7176.3-116.6000112.7L78 L113 I124 I134 F142 Y143 I144 L160 M164L78-F140 HydrophobicContact CD1-CE2 3.59Å; L78-F140 HydrophobicContact CD1-CZ 4.12Å; L113-F140 HydrophobicContact CB-CD2 4.27Å; L113-F140 HydrophobicContact CB-CE2 4.45Å; L113-F140 HydrophobicContact CB-CG 4.31Å; L113-F140 HydrophobicContact CD1-CD2 3.68Å; L113-F140 HydrophobicContact CD1-CE2 3.66Å; L113-F140 HydrophobicContact CD1-CG 4.49Å; L113-F140 HydrophobicContact CD1-CZ 4.48Å; I124-F140 HydrophobicContact CD1-CZ 4.13Å; I134-F140 HydrophobicContact CD1-CD2 4.04Å; F140-F142 VanDerWaalsContact C-N 3.32Å; F140-F142 PolarHBondContact O-N 2.73Å; F140-Y143 WeakPolarHBondContact O-CB 3.21Å; F140-Y143 PolarHBondContact O-N 3.31Å; F140-I144 HydrophobicContact CD2-CG1 4.34Å; F140-I144 HydrophobicContact CE1-CG1 4.44Å; F140-I144 HydrophobicContact CE2-CD1 4.06Å; F140-I144 HydrophobicContact CE2-CG1 3.92Å; F140-I144 HydrophobicContact CZ-CD1 4.29Å; F140-I144 HydrophobicContact CZ-CG1 3.98Å; F140-I144 WeakPolarHBondContact O-CG1 3.5Å; F140-I144 PolarHBondContact O-N 3.28Å; F140-I144 VanDerWaalsContact O-N 3.08Å; F140-L160 HydrophobicContact CE1-CD1 4.33Å; F140-L160 HydrophobicContact CZ-CD1 3.8Å; F140-M164 HydrophobicContact CD1-CE 4.38Å; F140-M164 HydrophobicContact CE1-CE 4.01Å
141D95.9Very high95.5Very high3 Ų347.8 Ų47.82%0.01626%0.258CS..Hα-helixtrans-64-38.9-179-64.6-18.5000111.8S115 E116 I117 I144 L145 M164 Y190S115-D141 WeakPolarHBondContact CA-OD1 3.5Å; S115-D141 WeakPolarHBondContact CB-OD1 3.33Å; S115-D141 VanDerWaalsContact OG-CG 3.31Å; S115-D141 PolarHBondContact OG-OD1 3.39Å; S115-D141 PolarHBondContact OG-OD2 3.05Å; E116-D141 WeakPolarHBondContact CA-OD2 3.29Å; E116-D141 WeakPolarHBondContact CB-OD2 3.32Å; E116-D141 PolarHBondContact N-OD2 3.14Å; I117-D141 HydrophobicContact CD1-CB 3.93Å; I117-D141 HydrophobicContact CG1-CB 4.34Å; I117-D141 PolarHBondContact N-OD2 3.16Å; D141-I144 PolarHBondContact O-N 2.97Å; D141-L145 WeakPolarHBondContact O-CB 3.48Å; D141-L145 VanDerWaalsContact O-CG 3.3Å; D141-L145 WeakPolarHBondContact O-CG 3.36Å; D141-L145 PolarHBondContact O-N 2.94Å; D141-M164 HydrophobicContact CB-SD 4.43Å; D141-M164 WeakPolarHBondContact OD1-CE 3.25Å; D141-Y190 HydrophobicContact CB-CE1 3.71Å
142F96.7Very high95.2Very high22 Ų2245.7 Ų45.710%0.09625%0.246CC..Hα-helixtrans-64.8-40.8175.3-77.4-55.9000112.1A137 G139 F140 L145 K146 K189 Y190 F193A137-F142 HydrophobicContact CB-CB 4.26Å; A137-F142 VanDerWaalsContact O-CB 3.32Å; A137-F142 WeakPolarHBondContact O-CB 3.31Å; G139-F142 PolarHBondContact O-N 3.42Å; F140-F142 VanDerWaalsContact C-N 3.32Å; F140-F142 PolarHBondContact O-N 2.73Å; F142-L145 PolarHBondContact O-N 3.28Å; F142-K146 WeakPolarHBondContact O-CB 3.41Å; F142-K146 VanDerWaalsContact O-CG 3.25Å; F142-K146 WeakPolarHBondContact O-CG 3.14Å; F142-K146 PolarHBondContact O-N 3.47Å; F142-K189 HydrophobicContact CE2-CD 4.35Å; F142-K189 HydrophobicContact CE2-CG 4.17Å; F142-K189 HydrophobicContact CZ-CD 4.29Å; F142-K189 HydrophobicContact CZ-CG 3.63Å; F142-Y190 AromaticContact CD1-CD1 3.88Å; F142-Y190 HydrophobicContact CD1-CD1 3.88Å; F142-Y190 AromaticContact CD1-CE1 3.61Å; F142-Y190 HydrophobicContact CD1-CE1 3.61Å; F142-Y190 AromaticContact CD2-CE1 4Å; F142-Y190 HydrophobicContact CD2-CE1 4Å; F142-Y190 AromaticContact CE1-CD1 3.54Å; F142-Y190 HydrophobicContact CE1-CD1 3.54Å; F142-Y190 AromaticContact CE1-CE1 3.46Å; F142-Y190 HydrophobicContact CE1-CE1 3.46Å; F142-Y190 VanDerWaalsContact CE1-CE1 3.46Å; F142-Y190 AromaticContact CE2-CE1 3.9Å; F142-Y190 HydrophobicContact CE2-CE1 3.9Å; F142-Y190 AromaticContact CG-CE1 3.87Å; F142-Y190 HydrophobicContact CG-CE1 3.87Å; F142-Y190 HydrophobicContact CZ-CD1 4.01Å; F142-Y190 AromaticContact CZ-CE1 3.63Å; F142-Y190 HydrophobicContact CZ-CE1 3.63Å; F142-F193 AromaticContact CD1-CE2 3.86Å; F142-F193 HydrophobicContact CD1-CE2 3.86Å; F142-F193 HydrophobicContact CE1-CE2 4.06Å
143Y96.8Very high95Very high5 Ų543 Ų432%0.0223%0.232CC..Hα-helixtrans-58.1-49.7175.4169.8-105.8000111T130 L133 I134 G139 F140 L145 T147 L152T130-Y143 HydrophobicContact CG2-CE1 4.05Å; L133-Y143 HydrophobicContact CB-CD2 3.86Å; L133-Y143 HydrophobicContact CB-CE2 3.6Å; L133-Y143 HydrophobicContact CD1-CE2 3.97Å; L133-Y143 HydrophobicContact CG-CE2 4.41Å; I134-Y143 HydrophobicContact CD1-CD1 4.47Å; I134-Y143 HydrophobicContact CG1-CD1 3.79Å; I134-Y143 HydrophobicContact CG1-CD2 4.46Å; I134-Y143 HydrophobicContact CG1-CE1 4.47Å; I134-Y143 HydrophobicContact CG1-CG 3.78Å; G139-Y143 PolarHBondContact O-N 2.79Å; F140-Y143 WeakPolarHBondContact O-CB 3.21Å; F140-Y143 PolarHBondContact O-N 3.31Å; Y143-L145 PolarHBondContact O-N 2.87Å; Y143-T147 WeakPolarHBondContact CD2-OG1 3.26Å; Y143-T147 HydrophobicContact CE2-CG2 4.43Å; Y143-T147 WeakPolarHBondContact CE2-OG1 3.35Å; Y143-T147 WeakPolarHBondContact O-CB 3.31Å; Y143-T147 PolarHBondContact O-N 3.27Å; Y143-T147 PolarHBondContact O-OG1 2.99Å; Y143-L152 HydrophobicContact CE1-CD1 3.84Å
144I96.9Very high94.8Very high0 Ų040.2 Ų40.20%022%0.218CC..Hα-helixtrans-64.1-43.3-179.7-62-61.4000112L78 F140 D141 L152 L160 K161 M164L78-I144 HydrophobicContact CD1-CD1 4.08Å; L78-I144 HydrophobicContact CD2-CD1 4.18Å; F140-I144 HydrophobicContact CD2-CG1 4.34Å; F140-I144 HydrophobicContact CE1-CG1 4.44Å; F140-I144 HydrophobicContact CE2-CD1 4.06Å; F140-I144 HydrophobicContact CE2-CG1 3.92Å; F140-I144 HydrophobicContact CZ-CD1 4.29Å; F140-I144 HydrophobicContact CZ-CG1 3.98Å; F140-I144 WeakPolarHBondContact O-CG1 3.5Å; F140-I144 PolarHBondContact O-N 3.28Å; F140-I144 VanDerWaalsContact O-N 3.08Å; D141-I144 PolarHBondContact O-N 2.97Å; I144-L152 HydrophobicContact CD1-CD1 4.03Å; I144-L160 HydrophobicContact CG2-CB 4.45Å; I144-K161 HydrophobicContact CG2-CB 3.61Å; I144-K161 HydrophobicContact CG2-CG 4.14Å; I144-K161 WeakPolarHBondContact O-CD 3.4Å; I144-K161 WeakPolarHBondContact O-CE 3.4Å; I144-K161 PolarHBondContact O-NZ 2.95Å; I144-M164 HydrophobicContact CB-CE 4.48Å; I144-M164 HydrophobicContact CB-SD 4.15Å; I144-M164 HydrophobicContact CG1-CE 4.48Å; I144-M164 HydrophobicContact CG2-SD 3.97Å
145L95.9Very high94.8Very high8 Ų845.2 Ų45.24%0.04224%0.236CC..Hα-helixtrans-71.6-41.7-178-67.8173.8000112.8I117 D141 F142 Y143 K161 M164 L165 L168 Y190 F193I117-L145 HydrophobicContact CD1-CD1 3.75Å; D141-L145 WeakPolarHBondContact O-CB 3.48Å; D141-L145 VanDerWaalsContact O-CG 3.3Å; D141-L145 WeakPolarHBondContact O-CG 3.36Å; D141-L145 PolarHBondContact O-N 2.94Å; F142-L145 PolarHBondContact O-N 3.28Å; Y143-L145 PolarHBondContact O-N 2.87Å; L145-K161 HydrophobicContact CD2-CG 4.39Å; L145-K161 WeakPolarHBondContact O-CE 3.41Å; L145-K161 PolarHBondContact O-NZ 3Å; L145-M164 HydrophobicContact CD2-CB 4.17Å; L145-M164 HydrophobicContact CG-SD 4.5Å; L145-L165 HydrophobicContact CD2-CD2 3.79Å; L145-L165 HydrophobicContact CD2-CG 4Å; L145-L168 HydrophobicContact CD1-CD1 4.23Å; L145-Y190 HydrophobicContact CD1-CD1 3.87Å; L145-Y190 HydrophobicContact CD1-CG 4.47Å; L145-F193 HydrophobicContact CB-CD1 4.19Å; L145-F193 HydrophobicContact CB-CD2 3.97Å; L145-F193 HydrophobicContact CB-CE1 4.39Å; L145-F193 HydrophobicContact CB-CE2 4.18Å; L145-F193 HydrophobicContact CB-CG 3.98Å; L145-F193 HydrophobicContact CB-CZ 4.4Å; L145-F193 HydrophobicContact CD1-CB 4.23Å; L145-F193 HydrophobicContact CD1-CD2 3.72Å; L145-F193 HydrophobicContact CD1-CE2 4.38Å; L145-F193 HydrophobicContact CD1-CG 4.12Å; L145-F193 HydrophobicContact CG-CD2 4.46Å
146K95.5Very high94.7Very high109 Ų10942.3 Ų42.347%0.47422%0.22SC..Hα-helixtrans-74-37.7-179.8-69.7176.1-178.7171.10112.9F142 F193F142-K146 WeakPolarHBondContact O-CB 3.41Å; F142-K146 VanDerWaalsContact O-CG 3.25Å; F142-K146 WeakPolarHBondContact O-CG 3.14Å; F142-K146 PolarHBondContact O-N 3.47Å; K146-F193 HydrophobicContact CD-CZ 4.44Å; K146-F193 HydrophobicContact CG-CE1 3.99Å; K146-F193 HydrophobicContact CG-CZ 3.53Å
147T94.8Very high94.6Very high24 Ų2438.9 Ų38.915%0.14719%0.192CC..SBendtrans-68.7136.7-174.1-55.90000111Y143 D151 L152 K161Y143-T147 WeakPolarHBondContact CD2-OG1 3.26Å; Y143-T147 HydrophobicContact CE2-CG2 4.43Å; Y143-T147 WeakPolarHBondContact CE2-OG1 3.35Å; Y143-T147 WeakPolarHBondContact O-CB 3.31Å; Y143-T147 PolarHBondContact O-N 3.27Å; Y143-T147 PolarHBondContact O-OG1 2.99Å; T147-D151 HydrophobicContact CG2-CB 3.62Å; T147-L152 HydrophobicContact CG2-CB 3.93Å; T147-L152 HydrophobicContact CG2-CD1 4.32Å; T147-K161 PolarHBondContact O-NZ 3.47Å
148S93.2Very high94.6Very high43 Ų4339.1 Ų39.130%0.30119%0.191SC..  trans-73.1163178.680.10000111.7D150 D151 L152S148-D150 VanDerWaalsContact C-N 3.29Å; S148-D150 PolarHBondContact O-N 3.05Å; S148-D151 PolarHBondContact O-N 3.23Å; S148-D151 PolarHBondContact OG-N 3.32Å; S148-D151 PolarHBondContact OG-OD2 3.22Å; S148-L152 VanDerWaalsContact O-CB 3.29Å; S148-L152 WeakPolarHBondContact O-CB 3.32Å; S148-L152 PolarHBondContact O-N 2.96Å
149K92.9Very high94.7Very high78 Ų7833.2 Ų33.234%0.33917%0.168SC..Hα-helixtrans-58.4-43.2176.9176.3-178.2172.2-177.30111.6N153 M158K149-N153 PolarHBondContact O-N 2.95Å; K149-M158 HydrophobicContact CB-CE 3.99Å; K149-M158 HydrophobicContact CB-SD 4Å; K149-M158 HydrophobicContact CD-CE 4.41Å; K149-M158 HydrophobicContact CG-CE 4.05Å; K149-M158 HydrophobicContact CG-SD 4.06Å
150D91.8Very high94.8Very high42 Ų4233 Ų3323%0.22516%0.161CC..Hα-helixtrans-70.2-33.5-176.1-56.4-54.8000112K35 P37 S148K35-D150 WeakPolarHBondContact CB-OD2 3.39Å; K35-D150 PolarHBondContact N-OD2 2.96Å; P37-D150 HydrophobicContact CB-CB 4.4Å; S148-D150 VanDerWaalsContact C-N 3.29Å; S148-D150 PolarHBondContact O-N 3.05Å
151D92.9Very high94.8Very high38 Ų3833.8 Ų33.820%0.20316%0.164CC..Hα-helixtrans-79.4-37.5176.7-64.1-47.1000112.9T38 G81 T147 S148T38-D151 VanDerWaalsContact CB-OD1 3.26Å; T38-D151 WeakPolarHBondContact CB-OD1 3.49Å; T38-D151 PolarHBondContact N-OD1 2.91Å; T38-D151 PolarHBondContact OG1-OD1 3.37Å; T38-D151 PolarHBondContact OG1-OD2 3.09Å; G81-D151 PolarHBondContact N-O 3.26Å; T147-D151 HydrophobicContact CG2-CB 3.62Å; S148-D151 PolarHBondContact O-N 3.23Å; S148-D151 PolarHBondContact OG-N 3.32Å; S148-D151 PolarHBondContact OG-OD2 3.22Å
152L91.9Very high94.8Very high3 Ų336.3 Ų36.32%0.01617%0.173CC..Hα-helixtrans-70.4-41.9-179.9-168.664.6000110.9L78 Y143 I144 T147 S148 S154 G157 M158L78-L152 HydrophobicContact CD2-CD1 3.97Å; Y143-L152 HydrophobicContact CE1-CD1 3.84Å; I144-L152 HydrophobicContact CD1-CD1 4.03Å; T147-L152 HydrophobicContact CG2-CB 3.93Å; T147-L152 HydrophobicContact CG2-CD1 4.32Å; S148-L152 VanDerWaalsContact O-CB 3.29Å; S148-L152 WeakPolarHBondContact O-CB 3.32Å; S148-L152 PolarHBondContact O-N 2.96Å; L152-S154 PolarHBondContact O-N 3.47Å; L152-G157 VanDerWaalsContact CD2-C 3.43Å; L152-M158 HydrophobicContact CD2-CG 4.38Å; L152-M158 HydrophobicContact CD2-SD 3.93Å
153N91Very high94.7Very high50 Ų5037 Ų3727%0.26718%0.183SC..  trans42.540.1175.3-164.730000115.1Y70 Q75 K149Y70-N153 WeakPolarHBondContact CD1-ND2 3.47Å; Y70-N153 WeakPolarHBondContact CD2-ND2 3.36Å; Y70-N153 WeakPolarHBondContact CE1-ND2 3.23Å; Y70-N153 WeakPolarHBondContact CE2-ND2 3.47Å; Q75-N153 PolarHBondContact NE2-O 3.11Å; Q75-N153 VanDerWaalsContact NE2-O 3.14Å; K149-N153 PolarHBondContact O-N 2.95Å
154S94.5Very high94.6Very high4 Ų436.7 Ų36.73%0.02818%0.182CC..  trans-139.4126.6-178.6166.90000110.1Q75 G77 L152 L156 G157 M158Q75-S154 PolarHBondContact O-OG 2.93Å; G77-S154 VanDerWaalsContact O-CB 3.24Å; G77-S154 WeakPolarHBondContact O-CB 3.45Å; G77-S154 PolarHBondContact O-OG 3Å; L152-S154 PolarHBondContact O-N 3.47Å; S154-L156 PolarHBondContact OG-N 2.88Å; S154-G157 PolarHBondContact O-N 2.62Å; S154-G157 PolarHBondContact OG-N 2.81Å; S154-M158 WeakPolarHBondContact O-CG 3.48Å; S154-M158 PolarHBondContact O-N 3.3Å
155R94.9Very high94.5Very high116 Ų11637 Ų3744%0.43818%0.183SC..Hα-helixtrans-59.5-45174.2-173.3175.464.6160.9-1.1111.8Q75 D76 G157 M158 N159Q75-R155 HydrophobicContact CB-CB 4.17Å; Q75-R155 PolarHBondContact O-N 3.49Å; D76-R155 IonicContact OD1-NH2 3.79Å; R155-G157 VanDerWaalsContact C-N 3.34Å; R155-G157 PolarHBondContact O-N 2.74Å; R155-M158 PolarHBondContact O-N 3.41Å; R155-N159 WeakPolarHBondContact O-CB 3.41Å; R155-N159 VanDerWaalsContact O-CG 3.29Å; R155-N159 PolarHBondContact O-N 3.23Å; R155-N159 PolarHBondContact O-ND2 3.47Å
156L95.2Very high94.4Very high51 Ų5138 Ų3827%0.26719%0.188SC..Hα-helixtrans-59.8-45.5176.2179.3147.2000111.2Q75 D76 L78 I124 S154 M158 N159 L160Q75-L156 WeakPolarHBondContact O-CB 3.4Å; Q75-L156 PolarHBondContact O-N 3.32Å; D76-L156 WeakPolarHBondContact O-CD1 3.34Å; L78-L156 HydrophobicContact CG-CD2 4.43Å; I124-L156 HydrophobicContact CD1-CD2 4.04Å; S154-L156 PolarHBondContact OG-N 2.88Å; L156-M158 VanDerWaalsContact C-N 3.33Å; L156-M158 PolarHBondContact O-N 3.38Å; L156-N159 PolarHBondContact O-N 2.8Å; L156-L160 HydrophobicContact CD2-CD1 3.57Å; L156-L160 HydrophobicContact CD2-CG 4.15Å; L156-L160 WeakPolarHBondContact O-CG 3.5Å; L156-L160 PolarHBondContact O-N 2.79Å
157G95.4Very high94.2Very high0 Ų036.7 Ų36.70%018%0.181CC..Hα-helixtrans-60.2-4217800000112.8L152 S154 R155 L160 K161L152-G157 VanDerWaalsContact CD2-C 3.43Å; S154-G157 PolarHBondContact O-N 2.62Å; S154-G157 PolarHBondContact OG-N 2.81Å; R155-G157 VanDerWaalsContact C-N 3.34Å; R155-G157 PolarHBondContact O-N 2.74Å; G157-L160 PolarHBondContact O-N 3.1Å; G157-K161 WeakPolarHBondContact O-CB 3.49Å; G157-K161 PolarHBondContact O-N 2.93Å
158M95.6Very high94Very high16 Ų1635.9 Ų35.98%0.07918%0.176CC..Hα-helixtrans-68.3-36.4176.9-70-55.4-62.800112.7K149 L152 S154 R155 L156 K161 R162 V203 G204K149-M158 HydrophobicContact CB-CE 3.99Å; K149-M158 HydrophobicContact CB-SD 4Å; K149-M158 HydrophobicContact CD-CE 4.41Å; K149-M158 HydrophobicContact CG-CE 4.05Å; K149-M158 HydrophobicContact CG-SD 4.06Å; L152-M158 HydrophobicContact CD2-CG 4.38Å; L152-M158 HydrophobicContact CD2-SD 3.93Å; S154-M158 WeakPolarHBondContact O-CG 3.48Å; S154-M158 PolarHBondContact O-N 3.3Å; R155-M158 PolarHBondContact O-N 3.41Å; L156-M158 VanDerWaalsContact C-N 3.33Å; L156-M158 PolarHBondContact O-N 3.38Å; M158-K161 WeakPolarHBondContact O-CB 3.36Å; M158-K161 PolarHBondContact O-N 3.41Å; M158-K161 HydrophobicContact SD-CD 4.5Å; M158-R162 PolarHBondContact O-N 3.29Å; M158-V203 HydrophobicContact CE-CG1 4.05Å; M158-G204 VanDerWaalsContact CE-CA 3.47Å
159N96Very high93.9Very high50 Ų5035.1 Ų35.127%0.26717%0.171SC..Hα-helixtrans-64.8-42.7174.1-74.6-21.7000111.9R155 L156 K161 R162 A163R155-N159 WeakPolarHBondContact O-CB 3.41Å; R155-N159 VanDerWaalsContact O-CG 3.29Å; R155-N159 PolarHBondContact O-N 3.23Å; R155-N159 PolarHBondContact O-ND2 3.47Å; L156-N159 PolarHBondContact O-N 2.8Å; N159-K161 VanDerWaalsContact C-N 3.34Å; N159-R162 PolarHBondContact O-N 3.17Å; N159-R162 PolarHBondContact OD1-NH2 3.44Å; N159-R162 VanDerWaalsContact OD1-NH2 3.15Å; N159-A163 WeakPolarHBondContact O-CB 3.41Å; N159-A163 PolarHBondContact O-N 3.15Å
160L96.2Very high93.7Very high18 Ų1837.7 Ų37.79%0.09418%0.179CC..Hα-helixtrans-61.6-44.2173.2-71.3177.7000111L118 F122 I124 F140 I144 L156 G157 R162 A163 M164L118-L160 HydrophobicContact CD1-CD2 3.74Å; F122-L160 HydrophobicContact CE1-CD2 4.1Å; F122-L160 HydrophobicContact CE2-CD2 4.34Å; F122-L160 HydrophobicContact CZ-CD2 3.94Å; I124-L160 HydrophobicContact CD1-CD1 4.26Å; F140-L160 HydrophobicContact CE1-CD1 4.33Å; F140-L160 HydrophobicContact CZ-CD1 3.8Å; I144-L160 HydrophobicContact CG2-CB 4.45Å; L156-L160 HydrophobicContact CD2-CD1 3.57Å; L156-L160 HydrophobicContact CD2-CG 4.15Å; L156-L160 WeakPolarHBondContact O-CG 3.5Å; L156-L160 PolarHBondContact O-N 2.79Å; G157-L160 PolarHBondContact O-N 3.1Å; L160-R162 VanDerWaalsContact C-N 3.35Å; L160-R162 PolarHBondContact O-N 2.94Å; L160-A163 PolarHBondContact O-N 3.22Å; L160-M164 HydrophobicContact CB-CE 4.4Å; L160-M164 VanDerWaalsContact O-CG 3.27Å; L160-M164 WeakPolarHBondContact O-CG 3.45Å; L160-M164 PolarHBondContact O-N 2.88Å
161K96.4Very high93.2Very high29 Ų2942.8 Ų42.813%0.12620%0.195CC..Hα-helixtrans-57.1-48.1176.7-169171.6-170.9154.20111.6I144 L145 T147 G157 M158 N159 M164 L165I144-K161 HydrophobicContact CG2-CB 3.61Å; I144-K161 HydrophobicContact CG2-CG 4.14Å; I144-K161 WeakPolarHBondContact O-CD 3.4Å; I144-K161 WeakPolarHBondContact O-CE 3.4Å; I144-K161 PolarHBondContact O-NZ 2.95Å; L145-K161 HydrophobicContact CD2-CG 4.39Å; L145-K161 WeakPolarHBondContact O-CE 3.41Å; L145-K161 PolarHBondContact O-NZ 3Å; T147-K161 PolarHBondContact O-NZ 3.47Å; G157-K161 WeakPolarHBondContact O-CB 3.49Å; G157-K161 PolarHBondContact O-N 2.93Å; M158-K161 WeakPolarHBondContact O-CB 3.36Å; M158-K161 PolarHBondContact O-N 3.41Å; M158-K161 HydrophobicContact SD-CD 4.5Å; N159-K161 VanDerWaalsContact C-N 3.34Å; K161-M164 PolarHBondContact O-N 3.4Å; K161-L165 HydrophobicContact CG-CD1 4.08Å; K161-L165 WeakPolarHBondContact O-CB 3.36Å; K161-L165 VanDerWaalsContact O-CG 3.25Å; K161-L165 WeakPolarHBondContact O-CG 3.38Å; K161-L165 PolarHBondContact O-N 3.3Å
162R95.8Very high92.1Very high56 Ų5642.8 Ų42.821%0.21120%0.195CC..Hα-helixtrans-58.6-48.6175.2178.1176.562.7-156.5-3.7111.8M158 N159 L160 M164 L165 L166 A200 E201 V203 L205M158-R162 PolarHBondContact O-N 3.29Å; N159-R162 PolarHBondContact O-N 3.17Å; N159-R162 PolarHBondContact OD1-NH2 3.44Å; N159-R162 VanDerWaalsContact OD1-NH2 3.15Å; L160-R162 VanDerWaalsContact C-N 3.35Å; L160-R162 PolarHBondContact O-N 2.94Å; R162-M164 VanDerWaalsContact C-N 3.33Å; R162-M164 PolarHBondContact O-N 3.38Å; R162-L165 PolarHBondContact O-N 2.95Å; R162-L166 HydrophobicContact CG-CD1 3.89Å; R162-L166 HydrophobicContact CG-CG 4.36Å; R162-L166 WeakPolarHBondContact O-CG 3.31Å; R162-L166 PolarHBondContact O-N 3.49Å; R162-A200 WeakPolarHBondContact CG-O 3.43Å; R162-E201 WeakPolarHBondContact CD-O 3.22Å; R162-V203 WeakPolarHBondContact CB-O 3.46Å; R162-V203 WeakPolarHBondContact CD-O 3.01Å; R162-L205 VanDerWaalsContact NH1-CG 3.33Å
163A94.8Very high91Very high36 Ų3647.5 Ų47.530%0.29822%0.224SC..Hα-helixtrans-60.1-43.3-179.700000111.9L118 N159 L160 L166 R167L118-A163 HydrophobicContact CD2-CB 4.09Å; N159-A163 WeakPolarHBondContact O-CB 3.41Å; N159-A163 PolarHBondContact O-N 3.15Å; L160-A163 PolarHBondContact O-N 3.22Å; A163-L166 PolarHBondContact O-N 2.95Å; A163-R167 WeakPolarHBondContact O-CG 3.34Å; A163-R167 PolarHBondContact O-N 3.2Å; A163-R167 VanDerWaalsContact O-N 3.1Å
164M94.4Very high90.2Very high0 Ų052.5 Ų52.50%025%0.246CC..Hα-helixtrans-62.7-46.8175.9-68.7171.5-175.400111.8S115 I117 L118 F140 D141 I144 L145 L160 K161 R162 L166 R167 L168S115-M164 WeakPolarHBondContact OG-CE 3.39Å; I117-M164 HydrophobicContact CB-CG 4.21Å; I117-M164 HydrophobicContact CD1-CB 4.13Å; I117-M164 HydrophobicContact CD1-CG 4.23Å; I117-M164 HydrophobicContact CD1-SD 4.4Å; I117-M164 HydrophobicContact CG2-CB 4.02Å; I117-M164 HydrophobicContact CG2-CG 4.11Å; L118-M164 HydrophobicContact CD1-CE 3.99Å; L118-M164 HydrophobicContact CD1-CG 4.18Å; L118-M164 HydrophobicContact CD2-CG 4.24Å; L118-M164 HydrophobicContact CG-CE 4.37Å; L118-M164 HydrophobicContact CG-CG 4Å; F140-M164 HydrophobicContact CD1-CE 4.38Å; F140-M164 HydrophobicContact CE1-CE 4.01Å; D141-M164 HydrophobicContact CB-SD 4.43Å; D141-M164 WeakPolarHBondContact OD1-CE 3.25Å; I144-M164 HydrophobicContact CB-CE 4.48Å; I144-M164 HydrophobicContact CB-SD 4.15Å; I144-M164 HydrophobicContact CG1-CE 4.48Å; I144-M164 HydrophobicContact CG2-SD 3.97Å; L145-M164 HydrophobicContact CD2-CB 4.17Å; L145-M164 HydrophobicContact CG-SD 4.5Å; L160-M164 HydrophobicContact CB-CE 4.4Å; L160-M164 VanDerWaalsContact O-CG 3.27Å; L160-M164 WeakPolarHBondContact O-CG 3.45Å; L160-M164 PolarHBondContact O-N 2.88Å; K161-M164 PolarHBondContact O-N 3.4Å; R162-M164 VanDerWaalsContact C-N 3.33Å; R162-M164 PolarHBondContact O-N 3.38Å; M164-L166 PolarHBondContact O-N 2.84Å; M164-R167 PolarHBondContact O-N 3.23Å; M164-L168 WeakPolarHBondContact O-CG 3.29Å; M164-L168 PolarHBondContact O-N 3.47Å
165L94.8Very high89.2Confident5 Ų553.2 Ų53.23%0.02625%0.25CC..Hα-helixtrans-62.7-40.5179.2-71171.3000112.2L145 K161 R162 L168 A169 F193 I195 A200 V203L145-L165 HydrophobicContact CD2-CD2 3.79Å; L145-L165 HydrophobicContact CD2-CG 4Å; K161-L165 HydrophobicContact CG-CD1 4.08Å; K161-L165 WeakPolarHBondContact O-CB 3.36Å; K161-L165 VanDerWaalsContact O-CG 3.25Å; K161-L165 WeakPolarHBondContact O-CG 3.38Å; K161-L165 PolarHBondContact O-N 3.3Å; R162-L165 PolarHBondContact O-N 2.95Å; L165-L168 PolarHBondContact O-N 3.34Å; L165-A169 WeakPolarHBondContact O-CB 3.45Å; L165-A169 PolarHBondContact O-N 2.93Å; L165-F193 HydrophobicContact CD2-CB 4.47Å; L165-F193 VanDerWaalsContact CD2-O 3.24Å; L165-F193 WeakPolarHBondContact CD2-O 3.43Å; L165-I195 HydrophobicContact CD1-CD1 4.07Å; L165-I195 HydrophobicContact CD2-CD1 3.95Å; L165-I195 HydrophobicContact CD2-CG1 4.33Å; L165-A200 HydrophobicContact CB-CB 3.98Å; L165-V203 HydrophobicContact CD1-CB 4.32Å; L165-V203 HydrophobicContact CD1-CG1 4.07Å; L165-V203 HydrophobicContact CD1-CG2 4.11Å
166L93.6Very high88.6Confident29 Ų2948.5 Ų48.515%0.15223%0.232CC..Hα-helixtrans-63.6-41.2175.9-73172000112.2R162 A163 M164 L168 A169 R170 E197 A200 E201R162-L166 HydrophobicContact CG-CD1 3.89Å; R162-L166 HydrophobicContact CG-CG 4.36Å; R162-L166 WeakPolarHBondContact O-CG 3.31Å; R162-L166 PolarHBondContact O-N 3.49Å; A163-L166 PolarHBondContact O-N 2.95Å; M164-L166 PolarHBondContact O-N 2.84Å; L166-L168 VanDerWaalsContact C-N 3.35Å; L166-A169 PolarHBondContact O-N 2.9Å; L166-R170 WeakPolarHBondContact O-CB 3.38Å; L166-R170 WeakPolarHBondContact O-CG 3.44Å; L166-R170 PolarHBondContact O-N 3.04Å; L166-E197 HydrophobicContact CD2-CG 4.11Å; L166-A200 HydrophobicContact CD2-CB 3.84Å; L166-A200 HydrophobicContact CG-CB 4.28Å; L166-E201 HydrophobicContact CD2-CB 4.28Å; L166-E201 HydrophobicContact CD2-CG 3.52Å
167R91.3Very high88Confident83 Ų8350.5 Ų50.531%0.31325%0.248SC..Hα-helixtrans-64.3-40.4175.5-72.5-165.2-170.2-167.21.7112.4I117 L118 A163 M164 R171 D172I117-R167 HydrophobicContact CG2-CB 4.1Å; I117-R167 WeakPolarHBondContact O-CD 3.24Å; I117-R167 PolarHBondContact O-NH1 3.34Å; L118-R167 PolarHBondContact O-NH1 3.32Å; A163-R167 WeakPolarHBondContact O-CG 3.34Å; A163-R167 PolarHBondContact O-N 3.2Å; A163-R167 VanDerWaalsContact O-N 3.1Å; M164-R167 PolarHBondContact O-N 3.23Å; R167-R171 PolarHBondContact O-N 2.96Å; R167-D172 PolarHBondContact O-N 3.41Å
168L91.8Very high87.6Confident7 Ų757.4 Ų57.44%0.03729%0.285CS..Hα-helixtrans-64.3-43.1175.1-68.8173.5000111.4I117 L145 M164 L165 L166 R171 Y187I117-L168 HydrophobicContact CD1-CD1 4.24Å; L145-L168 HydrophobicContact CD1-CD1 4.23Å; M164-L168 WeakPolarHBondContact O-CG 3.29Å; M164-L168 PolarHBondContact O-N 3.47Å; L165-L168 PolarHBondContact O-N 3.34Å; L166-L168 VanDerWaalsContact C-N 3.35Å; L168-R171 PolarHBondContact O-N 2.97Å; L168-Y187 HydrophobicContact CD2-CD2 4.21Å
169A91.2Very high87.3Confident26 Ų2661 Ų6122%0.21531%0.305CS..Hα-helixtrans-64.6-44179.900000112.7L165 L166 R171 I195 E197L165-A169 WeakPolarHBondContact O-CB 3.45Å; L165-A169 PolarHBondContact O-N 2.93Å; L166-A169 PolarHBondContact O-N 2.9Å; A169-R171 PolarHBondContact O-N 3.04Å; A169-I195 WeakPolarHBondContact CB-O 3.48Å; A169-E197 HydrophobicContact CB-CB 4.17Å
170R87.8Confident86.9Confident133 Ų13362.2 Ų62.250%0.50232%0.315SS..Hα-helixtrans-74.7-12.8-179.6-70177.6-178.6171.71.5113.7L166 D172 E197L166-R170 WeakPolarHBondContact O-CB 3.38Å; L166-R170 WeakPolarHBondContact O-CG 3.44Å; L166-R170 PolarHBondContact O-N 3.04Å; R170-D172 PolarHBondContact O-N 3.48Å; R170-E197 IonicContact CZ-OE1 2.73Å; R170-E197 IonicContact NE-OE1 3.99Å; R170-E197 PolarHBondContact NE-OE1 3.4Å; R170-E197 IonicContact NE-OE2 3.85Å; R170-E197 IonicContact NH2-OE1 2.79Å; R170-E197 PolarHBondContact NH2-OE1 3.3Å
171R81.3Confident86.7Confident149 Ų14966.5 Ų66.556%0.56234%0.341SS*.THydrogen-bonded Turntrans4749.9-167.2-62.9-175.5177.1176.61.4110.8R167 L168 A169 T173 Y187 E194R167-R171 PolarHBondContact O-N 2.96Å; L168-R171 PolarHBondContact O-N 2.97Å; A169-R171 PolarHBondContact O-N 3.04Å; R171-T173 PolarHBondContact O-N 3.33Å; R171-T173 VanDerWaalsContact O-N 3.1Å; R171-Y187 HydrophobicContact CG-CD2 4.41Å; R171-Y187 HydrophobicContact CG-CE2 3.81Å; R171-Y187 PolarHBondContact NE-OH 3.14Å; R171-Y187 PolarHBondContact NH2-OH 3.48Å; R171-E194 IonicContact NE-OE1 3.16Å; R171-E194 IonicContact NH2-OE1 2.79Å
172D71.2Confident86.4Confident37 Ų3769.1 Ų69.120%0.19835%0.353CS..  trans-49.8117-163.7-161.1-12.1000111.7R167 R170 E174 L175R167-D172 PolarHBondContact O-N 3.41Å; R170-D172 PolarHBondContact O-N 3.48Å; D172-E174 PolarHBondContact O-N 2.94Å; D172-E174 WeakPolarHBondContact OD1-CB 3.46Å; D172-E174 WeakPolarHBondContact OD1-CG 3.37Å; D172-E174 PolarHBondContact OD1-N 2.68Å; D172-L175 PolarHBondContact O-N 3.31Å
173T69.1Low86Confident103 Ų10369 Ų6963%0.63235%0.353SS*.THydrogen-bonded Turntrans-70.5-13.6-179.246.20000112.4R171 L175 R183R171-T173 PolarHBondContact O-N 3.33Å; R171-T173 VanDerWaalsContact O-N 3.1Å; T173-L175 VanDerWaalsContact C-N 3.31Å; T173-R183 PolarHBondContact O-NH1 3.05Å; T173-R183 PolarHBondContact O-NH2 3.33Å
174E72.9Confident85.8Confident154 Ų15473.4 Ų73.472%0.7237%0.367SS*.THydrogen-bonded Turntrans-76.5-16.3178-61.1-178.6-177.700113D172 Y176D172-E174 PolarHBondContact O-N 2.94Å; D172-E174 WeakPolarHBondContact OD1-CB 3.46Å; D172-E174 WeakPolarHBondContact OD1-CG 3.37Å; D172-E174 PolarHBondContact OD1-N 2.68Å; E174-Y176 PolarHBondContact O-N 3.23Å
175L74.3Confident85.7Confident20 Ų2077.2 Ų77.211%0.10539%0.39CS..SBendtrans-76.2116.4-179.9-173.968000110.9I117 D119 D172 T173 R183 V186I117-L175 WeakPolarHBondContact O-CD1 3.39Å; D119-L175 HydrophobicContact CB-CD1 3.9Å; D172-L175 PolarHBondContact O-N 3.31Å; T173-L175 VanDerWaalsContact C-N 3.31Å; L175-R183 HydrophobicContact CB-CG 4.46Å; L175-R183 WeakPolarHBondContact O-CD 3.31Å; L175-R183 WeakPolarHBondContact O-CG 3.48Å; L175-R183 PolarHBondContact O-NE 3.42Å; L175-R183 PolarHBondContact O-NH2 3.34Å; L175-V186 HydrophobicContact CD2-CG1 4.35Å
176Y81.4Confident85.6Confident16 Ų1677.4 Ų77.46%0.06339%0.391CS..SBendtrans53.470.3-174-56.7-61.7000112Y114 D119 E174 D178 D179 K182 R183 V186Y114-Y176 PolarHBondContact OH-OH 2.97Å; D119-Y176 HydrophobicContact CB-CE1 4.1Å; D119-Y176 WeakPolarHBondContact OD1-CE1 3.46Å; D119-Y176 PolarHBondContact OD1-OH 2.64Å; D119-Y176 VanDerWaalsContact OD2-CE1 3.23Å; D119-Y176 WeakPolarHBondContact OD2-CE1 3.43Å; E174-Y176 PolarHBondContact O-N 3.23Å; Y176-D178 PolarHBondContact O-N 3.41Å; Y176-D179 PolarHBondContact O-N 2.95Å; Y176-K182 HydrophobicContact CD1-CD 4.05Å; Y176-K182 HydrophobicContact CD2-CB 4.42Å; Y176-K182 HydrophobicContact CD2-CD 4.09Å; Y176-K182 HydrophobicContact CD2-CG 4.05Å; Y176-K182 HydrophobicContact CE1-CD 4.01Å; Y176-K182 HydrophobicContact CE2-CD 4.03Å; Y176-K182 HydrophobicContact CE2-CG 4.1Å; Y176-K182 HydrophobicContact CG-CD 4.11Å; Y176-K182 HydrophobicContact CG-CG 4.44Å; Y176-K182 VanDerWaalsContact CZ-CE 3.45Å; Y176-K182 PolarHBondContact OH-NZ 3.15Å; Y176-R183 PolarHBondContact O-NH2 3.39Å; Y176-V186 HydrophobicContact CE2-CG2 4.22Å
177P83.7Confident85.5Confident93 Ų9377.7 Ų77.760%0.60439%0.391SS*.SBendtrans-57.9-36-176.923.4-32.5000112.1
178D86.6Confident85.5Confident146 Ų14678.5 Ų78.578%0.78140%0.401SS*.SBendtrans-82.4-22.2-176.6-54.1-46.3000113.6Y176 P180Y176-D178 PolarHBondContact O-N 3.41Å; D178-P180 WeakPolarHBondContact O-CD 3.41Å
179D88.8Confident85.7Confident92 Ų9281.9 Ų81.949%0.49242%0.416SS..  trans-124.683.1-171.5-73.2-35.7000112.8Y176 V181 K182 R183Y176-D179 PolarHBondContact O-N 2.95Å; D179-V181 VanDerWaalsContact C-N 3.31Å; D179-V181 PolarHBondContact O-N 3.26Å; D179-K182 HydrophobicContact CB-CB 3.94Å; D179-K182 PolarHBondContact O-N 3.32Å; D179-R183 PolarHBondContact O-N 3.35Å
180P88.7Confident85.8Confident74 Ų7480.8 Ų80.848%0.48141%0.406SS..Hα-helixtrans-64.7-33.2-179.825.3-33.7000112.9D178 K182 R183 E184D178-P180 WeakPolarHBondContact O-CD 3.41Å; P180-K182 VanDerWaalsContact C-N 3.33Å; P180-K182 PolarHBondContact O-N 3.46Å; P180-R183 WeakPolarHBondContact O-CB 3.35Å; P180-R183 PolarHBondContact O-N 3.12Å; P180-E184 PolarHBondContact O-N 3.41Å; P180-E184 VanDerWaalsContact O-N 3.07Å
181V91.6Very high86Confident108 Ų10880 Ų8066%0.65541%0.406SS*.Hα-helixtrans-62.5-42.3178.1-179.60000110.8D179 R183 E184 T185D179-V181 VanDerWaalsContact C-N 3.31Å; D179-V181 PolarHBondContact O-N 3.26Å; V181-R183 VanDerWaalsContact C-N 3.35Å; V181-E184 PolarHBondContact O-N 3.43Å; V181-T185 WeakPolarHBondContact O-CG2 3.33Å; V181-T185 PolarHBondContact O-N 3.12Å; V181-T185 VanDerWaalsContact O-N 3.07Å; V181-T185 PolarHBondContact O-OG1 2.99Å
182K88.8Confident86.6Confident85 Ų8579.3 Ų79.337%0.3741%0.409SS..Hα-helixtrans-68.1-36.6178.6-170.6179.8176.9-1680111.6Y176 D179 P180 T185 V186Y176-K182 HydrophobicContact CD1-CD 4.05Å; Y176-K182 HydrophobicContact CD2-CB 4.42Å; Y176-K182 HydrophobicContact CD2-CD 4.09Å; Y176-K182 HydrophobicContact CD2-CG 4.05Å; Y176-K182 HydrophobicContact CE1-CD 4.01Å; Y176-K182 HydrophobicContact CE2-CD 4.03Å; Y176-K182 HydrophobicContact CE2-CG 4.1Å; Y176-K182 HydrophobicContact CG-CD 4.11Å; Y176-K182 HydrophobicContact CG-CG 4.44Å; Y176-K182 VanDerWaalsContact CZ-CE 3.45Å; Y176-K182 PolarHBondContact OH-NZ 3.15Å; D179-K182 HydrophobicContact CB-CB 3.94Å; D179-K182 PolarHBondContact O-N 3.32Å; P180-K182 VanDerWaalsContact C-N 3.33Å; P180-K182 PolarHBondContact O-N 3.46Å; K182-T185 WeakPolarHBondContact CA-OG1 3.42Å; K182-T185 PolarHBondContact O-N 2.79Å; K182-T185 PolarHBondContact O-OG1 3.01Å; K182-V186 VanDerWaalsContact O-CG2 3.31Å; K182-V186 WeakPolarHBondContact O-CG2 3.24Å; K182-V186 PolarHBondContact O-N 3.09Å
183R88.8Confident87.7Confident54 Ų5479.4 Ų79.420%0.20441%0.408CS..Hα-helixtrans-60.2-48.2174.8-170.7-171.9-47.4173.34.2111.8T173 L175 Y176 D179 P180 V181 V186 Y187T173-R183 PolarHBondContact O-NH1 3.05Å; T173-R183 PolarHBondContact O-NH2 3.33Å; L175-R183 HydrophobicContact CB-CG 4.46Å; L175-R183 WeakPolarHBondContact O-CD 3.31Å; L175-R183 WeakPolarHBondContact O-CG 3.48Å; L175-R183 PolarHBondContact O-NE 3.42Å; L175-R183 PolarHBondContact O-NH2 3.34Å; Y176-R183 PolarHBondContact O-NH2 3.39Å; D179-R183 PolarHBondContact O-N 3.35Å; P180-R183 WeakPolarHBondContact O-CB 3.35Å; P180-R183 PolarHBondContact O-N 3.12Å; V181-R183 VanDerWaalsContact C-N 3.35Å; R183-V186 PolarHBondContact O-N 3.27Å; R183-Y187 WeakPolarHBondContact O-CB 3.18Å; R183-Y187 PolarHBondContact O-N 3.06Å
184E90Very high88.8Confident128 Ų12878.3 Ų78.360%0.59840%0.396SS*.Hα-helixtrans-65.5-38.7178.9-71.1-177.4-179.800112.1P180 V181 Y187 N188P180-E184 PolarHBondContact O-N 3.41Å; P180-E184 VanDerWaalsContact O-N 3.07Å; V181-E184 PolarHBondContact O-N 3.43Å; E184-Y187 PolarHBondContact O-N 3.04Å; E184-N188 VanDerWaalsContact O-CB 3.27Å; E184-N188 WeakPolarHBondContact O-CB 3.25Å; E184-N188 PolarHBondContact O-N 3.29Å; E184-N188 PolarHBondContact O-ND2 3.08Å
185T92.6Very high89.7Confident80 Ų8073.5 Ų73.549%0.49138%0.375SS..Hα-helixtrans-65.4-43.117861.30000111.6V181 K182 N188 K189V181-T185 WeakPolarHBondContact O-CG2 3.33Å; V181-T185 PolarHBondContact O-N 3.12Å; V181-T185 VanDerWaalsContact O-N 3.07Å; V181-T185 PolarHBondContact O-OG1 2.99Å; K182-T185 WeakPolarHBondContact CA-OG1 3.42Å; K182-T185 PolarHBondContact O-N 2.79Å; K182-T185 PolarHBondContact O-OG1 3.01Å; T185-N188 PolarHBondContact O-N 3.3Å; T185-K189 WeakPolarHBondContact O-CB 3.45Å; T185-K189 PolarHBondContact O-N 3.24Å
186V91.7Very high90.7Very high8 Ų876.3 Ų76.35%0.04839%0.394CS..Hα-helixtrans-63-48174.9171.10000110.5E116 L175 Y176 K182 R183 N188 K189 Y190E116-V186 HydrophobicContact CB-CG1 4.42Å; E116-V186 HydrophobicContact CB-CG2 4.5Å; L175-V186 HydrophobicContact CD2-CG1 4.35Å; Y176-V186 HydrophobicContact CE2-CG2 4.22Å; K182-V186 VanDerWaalsContact O-CG2 3.31Å; K182-V186 WeakPolarHBondContact O-CG2 3.24Å; K182-V186 PolarHBondContact O-N 3.09Å; R183-V186 PolarHBondContact O-N 3.27Å; V186-N188 PolarHBondContact O-N 3.36Å; V186-K189 WeakPolarHBondContact O-CB 3.38Å; V186-K189 PolarHBondContact O-N 3.06Å; V186-Y190 HydrophobicContact CG1-CD2 4.01Å; V186-Y190 HydrophobicContact CG1-CE2 4.04Å; V186-Y190 WeakPolarHBondContact O-CD2 3.42Å; V186-Y190 PolarHBondContact O-N 2.89Å
187Y91Very high91.2Very high35 Ų3579.1 Ų79.114%0.13741%0.408CS..Hα-helixtrans-59.6-45.9178178.3-99.7000111.9L168 R171 R183 E184 K189 Y190 K191 E194L168-Y187 HydrophobicContact CD2-CD2 4.21Å; R171-Y187 HydrophobicContact CG-CD2 4.41Å; R171-Y187 HydrophobicContact CG-CE2 3.81Å; R171-Y187 PolarHBondContact NE-OH 3.14Å; R171-Y187 PolarHBondContact NH2-OH 3.48Å; R183-Y187 WeakPolarHBondContact O-CB 3.18Å; R183-Y187 PolarHBondContact O-N 3.06Å; E184-Y187 PolarHBondContact O-N 3.04Å; Y187-K189 VanDerWaalsContact C-N 3.27Å; Y187-K189 PolarHBondContact O-N 3.33Å; Y187-Y190 PolarHBondContact O-N 3.36Å; Y187-Y190 VanDerWaalsContact O-N 3.16Å; Y187-K191 PolarHBondContact O-N 3.01Å; Y187-E194 PolarHBondContact OH-OE1 3.45Å; Y187-E194 PolarHBondContact OH-OE2 3.08Å
188N93.3Very high91.7Very high100 Ų10082.2 Ų82.254%0.53541%0.414SS..Hα-helixtrans-62-34178.5-74.9-37.5000112.7E184 T185 V186E184-N188 VanDerWaalsContact O-CB 3.27Å; E184-N188 WeakPolarHBondContact O-CB 3.25Å; E184-N188 PolarHBondContact O-N 3.29Å; E184-N188 PolarHBondContact O-ND2 3.08Å; T185-N188 PolarHBondContact O-N 3.3Å; V186-N188 PolarHBondContact O-N 3.36Å
189K94.3Very high92Very high79 Ų7979.3 Ų79.334%0.34340%0.396SS..Hα-helixtrans-64.9-36.4176.1179.7178.4174-1720112.8E116 F142 T185 V186 Y187E116-K189 IonicContact OE1-NZ 2.73Å; E116-K189 PolarHBondContact OE1-NZ 3.45Å; E116-K189 IonicContact OE2-NZ 2.74Å; E116-K189 PolarHBondContact OE2-NZ 3Å; F142-K189 HydrophobicContact CE2-CD 4.35Å; F142-K189 HydrophobicContact CE2-CG 4.17Å; F142-K189 HydrophobicContact CZ-CD 4.29Å; F142-K189 HydrophobicContact CZ-CG 3.63Å; T185-K189 WeakPolarHBondContact O-CB 3.45Å; T185-K189 PolarHBondContact O-N 3.24Å; V186-K189 WeakPolarHBondContact O-CB 3.38Å; V186-K189 PolarHBondContact O-N 3.06Å; Y187-K189 VanDerWaalsContact C-N 3.27Å; Y187-K189 PolarHBondContact O-N 3.33Å
190Y94.3Very high92.2Very high2 Ų275 Ų751%0.00837%0.373CS..Hα-helixtrans-104.61.8-176.2-61.6-72.9000114.9E116 I117 D141 F142 L145 V186 Y187 Q192 F193E116-Y190 HydrophobicContact CB-CE2 4.46Å; E116-Y190 PolarHBondContact OE2-OH 3.34Å; I117-Y190 HydrophobicContact CD1-CD1 4Å; I117-Y190 HydrophobicContact CD1-CD2 3.81Å; I117-Y190 HydrophobicContact CD1-CE1 4.29Å; I117-Y190 HydrophobicContact CD1-CE2 4.14Å; I117-Y190 HydrophobicContact CD1-CG 3.77Å; I117-Y190 HydrophobicContact CG1-CD2 3.65Å; I117-Y190 HydrophobicContact CG1-CE2 3.79Å; I117-Y190 HydrophobicContact CG1-CG 4.15Å; D141-Y190 HydrophobicContact CB-CE1 3.71Å; F142-Y190 AromaticContact CD1-CD1 3.88Å; F142-Y190 HydrophobicContact CD1-CD1 3.88Å; F142-Y190 AromaticContact CD1-CE1 3.61Å; F142-Y190 HydrophobicContact CD1-CE1 3.61Å; F142-Y190 AromaticContact CD2-CE1 4Å; F142-Y190 HydrophobicContact CD2-CE1 4Å; F142-Y190 AromaticContact CE1-CD1 3.54Å; F142-Y190 HydrophobicContact CE1-CD1 3.54Å; F142-Y190 AromaticContact CE1-CE1 3.46Å; F142-Y190 HydrophobicContact CE1-CE1 3.46Å; F142-Y190 VanDerWaalsContact CE1-CE1 3.46Å; F142-Y190 AromaticContact CE2-CE1 3.9Å; F142-Y190 HydrophobicContact CE2-CE1 3.9Å; F142-Y190 AromaticContact CG-CE1 3.87Å; F142-Y190 HydrophobicContact CG-CE1 3.87Å; F142-Y190 HydrophobicContact CZ-CD1 4.01Å; F142-Y190 AromaticContact CZ-CE1 3.63Å; F142-Y190 HydrophobicContact CZ-CE1 3.63Å; L145-Y190 HydrophobicContact CD1-CD1 3.87Å; L145-Y190 HydrophobicContact CD1-CG 4.47Å; V186-Y190 HydrophobicContact CG1-CD2 4.01Å; V186-Y190 HydrophobicContact CG1-CE2 4.04Å; V186-Y190 WeakPolarHBondContact O-CD2 3.42Å; V186-Y190 PolarHBondContact O-N 2.89Å; Y187-Y190 PolarHBondContact O-N 3.36Å; Y187-Y190 VanDerWaalsContact O-N 3.16Å; Y190-Q192 PolarHBondContact O-N 3.41Å; Y190-F193 PolarHBondContact O-N 3.41Å
191K92.7Very high92.5Very high116 Ų11674.5 Ų74.550%0.50436%0.364SS..G310 helixtrans-47.8-32.2-177.6-173.4176-179177.50115.1Y187 F193 E194Y187-K191 PolarHBondContact O-N 3.01Å; K191-F193 PolarHBondContact O-N 2.95Å; K191-F193 VanDerWaalsContact O-N 3.13Å; K191-E194 WeakPolarHBondContact O-CB 3.26Å; K191-E194 PolarHBondContact O-N 2.61Å
192Q93.6Very high92.7Very high135 Ų13570.1 Ų70.163%0.63134%0.336SS*.G310 helixtrans-62.5-17178.569.6-173.2-32.100114.7Y190Y190-Q192 PolarHBondContact O-N 3.41Å
193F93.7Very high93Very high39 Ų3967.7 Ų67.717%0.17133%0.328CS..G310 helixtrans-10615.6-179.5-55.3-70.5000113F142 L145 K146 L165 Y190 K191 I195F142-F193 AromaticContact CD1-CE2 3.86Å; F142-F193 HydrophobicContact CD1-CE2 3.86Å; F142-F193 HydrophobicContact CE1-CE2 4.06Å; L145-F193 HydrophobicContact CB-CD1 4.19Å; L145-F193 HydrophobicContact CB-CD2 3.97Å; L145-F193 HydrophobicContact CB-CE1 4.39Å; L145-F193 HydrophobicContact CB-CE2 4.18Å; L145-F193 HydrophobicContact CB-CG 3.98Å; L145-F193 HydrophobicContact CB-CZ 4.4Å; L145-F193 HydrophobicContact CD1-CB 4.23Å; L145-F193 HydrophobicContact CD1-CD2 3.72Å; L145-F193 HydrophobicContact CD1-CE2 4.38Å; L145-F193 HydrophobicContact CD1-CG 4.12Å; L145-F193 HydrophobicContact CG-CD2 4.46Å; K146-F193 HydrophobicContact CD-CZ 4.44Å; K146-F193 HydrophobicContact CG-CE1 3.99Å; K146-F193 HydrophobicContact CG-CZ 3.53Å; L165-F193 HydrophobicContact CD2-CB 4.47Å; L165-F193 VanDerWaalsContact CD2-O 3.24Å; L165-F193 WeakPolarHBondContact CD2-O 3.43Å; Y190-F193 PolarHBondContact O-N 3.41Å; K191-F193 PolarHBondContact O-N 2.95Å; K191-F193 VanDerWaalsContact O-N 3.13Å; F193-I195 PolarHBondContact O-N 3.28Å
194E91.1Very high93.1Very high81 Ų8165.8 Ų65.838%0.37933%0.325SS..  trans-64.5124.7176.9-173.4170.1-143.300110.5R171 Y187 K191R171-E194 IonicContact NE-OE1 3.16Å; R171-E194 IonicContact NH2-OE1 2.79Å; Y187-E194 PolarHBondContact OH-OE1 3.45Å; Y187-E194 PolarHBondContact OH-OE2 3.08Å; K191-E194 WeakPolarHBondContact O-CB 3.26Å; K191-E194 PolarHBondContact O-N 2.61Å
195I92.5Very high93.3Very high53 Ų5360.3 Ų60.327%0.27230%0.3SS..  trans-128.5144.5178.1-64.2177.5000106.6L165 A169 F193 E199 A200L165-I195 HydrophobicContact CD1-CD1 4.07Å; L165-I195 HydrophobicContact CD2-CD1 3.95Å; L165-I195 HydrophobicContact CD2-CG1 4.33Å; A169-I195 WeakPolarHBondContact CB-O 3.48Å; F193-I195 PolarHBondContact O-N 3.28Å; I195-E199 HydrophobicContact CG2-CB 3.66Å; I195-A200 HydrophobicContact CG2-CB 4.46Å
196P95.1Very high93.3Very high79 Ų7959.2 Ų59.251%0.51329%0.293SS..  trans-55144.7174.5-24.234.2000111.9E198 E199 A200P196-E198 PolarHBondContact O-N 3.34Å; P196-E199 PolarHBondContact O-N 2.9Å; P196-A200 WeakPolarHBondContact O-CB 3.45Å; P196-A200 PolarHBondContact O-N 2.71Å
197E93.1Very high93.4Very high74 Ų7461.3 Ų61.335%0.34630%0.303SS..Hα-helixtrans-54.7-43.6180-178.6171.8-173.400111.7L166 A169 R170 E199 A200 E201L166-E197 HydrophobicContact CD2-CG 4.11Å; A169-E197 HydrophobicContact CB-CB 4.17Å; R170-E197 IonicContact CZ-OE1 2.73Å; R170-E197 IonicContact NE-OE1 3.99Å; R170-E197 PolarHBondContact NE-OE1 3.4Å; R170-E197 IonicContact NE-OE2 3.85Å; R170-E197 IonicContact NH2-OE1 2.79Å; R170-E197 PolarHBondContact NH2-OE1 3.3Å; E197-E199 PolarHBondContact O-N 3.06Å; E197-E199 VanDerWaalsContact O-N 3.15Å; E197-A200 PolarHBondContact O-N 2.78Å; E197-E201 HydrophobicContact CG-CG 4.43Å; E197-E201 WeakPolarHBondContact O-CG 3.17Å; E197-E201 PolarHBondContact O-N 2.91Å
198E92.8Very high93.5Very high159 Ų15964.6 Ų64.674%0.74332%0.324SS*.Hα-helixtrans-57.6-30.3178.7-63.3-170.6169.700113.7P196P196-E198 PolarHBondContact O-N 3.34Å
199E93.9Very high93.6Very high85 Ų8562.2 Ų62.240%0.39731%0.309SS..Hα-helixtrans-89.7-40.2176.7-61.7-169.8172.800111.2I195 P196 E197 E201 W202I195-E199 HydrophobicContact CG2-CB 3.66Å; P196-E199 PolarHBondContact O-N 2.9Å; E197-E199 PolarHBondContact O-N 3.06Å; E197-E199 VanDerWaalsContact O-N 3.15Å; E199-E201 VanDerWaalsContact C-N 3.27Å; E199-E201 PolarHBondContact O-N 3.18Å; E199-W202 PolarHBondContact O-N 3.37Å; E199-W202 VanDerWaalsContact O-N 3.1Å
200A93.6Very high93.7Very high0 Ų058.5 Ų58.50%029%0.293CS..Hα-helixtrans-57.9-39.1-17900000111.8R162 L165 L166 I195 P196 E197 W202 V203R162-A200 WeakPolarHBondContact CG-O 3.43Å; L165-A200 HydrophobicContact CB-CB 3.98Å; L166-A200 HydrophobicContact CD2-CB 3.84Å; L166-A200 HydrophobicContact CG-CB 4.28Å; I195-A200 HydrophobicContact CG2-CB 4.46Å; P196-A200 WeakPolarHBondContact O-CB 3.45Å; P196-A200 PolarHBondContact O-N 2.71Å; E197-A200 PolarHBondContact O-N 2.78Å; A200-W202 PolarHBondContact O-N 2.76Å; A200-W202 VanDerWaalsContact O-N 3.16Å; A200-V203 WeakPolarHBondContact O-CB 3.16Å; A200-V203 PolarHBondContact O-N 3.41Å; A200-V203 VanDerWaalsContact O-N 3.14Å
201E94.3Very high93.7Very high64 Ų6459.5 Ų59.530%0.29930%0.299SS..THydrogen-bonded Turntrans-63.1-23-179.9-67.6-173.9164.500114.1R162 L166 E197 E199 K213R162-E201 WeakPolarHBondContact CD-O 3.22Å; L166-E201 HydrophobicContact CD2-CB 4.28Å; L166-E201 HydrophobicContact CD2-CG 3.52Å; E197-E201 HydrophobicContact CG-CG 4.43Å; E197-E201 WeakPolarHBondContact O-CG 3.17Å; E197-E201 PolarHBondContact O-N 2.91Å; E199-E201 VanDerWaalsContact C-N 3.27Å; E199-E201 PolarHBondContact O-N 3.18Å; E201-K213 WeakPolarHBondContact OE2-CE 3.31Å; E201-K213 IonicContact OE2-NZ 3.99Å; E201-K213 PolarHBondContact OE2-NZ 3Å
202W95.5Very high93.9Very high17 Ų1759.2 Ų59.26%0.06430%0.3CS..THydrogen-bonded Turntrans-93.7-9.1-179.9-63.584.4000113.2L24 P25 H27 Y28 E199 A200 G204 L205 A210 K213 Q214 L217L24-W202 HydrophobicContact CD2-CH2 4.24Å; L24-W202 HydrophobicContact CD2-CZ3 3.78Å; P25-W202 HydrophobicContact CG-CD2 3.74Å; P25-W202 VanDerWaalsContact CG-CE2 3.46Å; P25-W202 HydrophobicContact CG-CE3 4.16Å; P25-W202 HydrophobicContact CG-CG 4.22Å; P25-W202 HydrophobicContact CG-CH2 4.11Å; P25-W202 HydrophobicContact CG-CZ2 3.66Å; P25-W202 HydrophobicContact CG-CZ3 4.34Å; H27-W202 AromaticContact NE2-CD1 3.67Å; H27-W202 AromaticContact NE2-CG 3.78Å; Y28-W202 HydrophobicContact CD2-CB 4.17Å; Y28-W202 WeakPolarHBondContact CD2-O 3.35Å; Y28-W202 HydrophobicContact CG-CB 4.46Å; Y28-W202 HydrophobicContact CG-CE3 4.39Å; E199-W202 PolarHBondContact O-N 3.37Å; E199-W202 VanDerWaalsContact O-N 3.1Å; A200-W202 PolarHBondContact O-N 2.76Å; A200-W202 VanDerWaalsContact O-N 3.16Å; W202-G204 PolarHBondContact O-N 2.77Å; W202-L205 HydrophobicContact CB-CD1 4.49Å; W202-L205 HydrophobicContact CD2-CD1 4.34Å; W202-L205 HydrophobicContact CE3-CD1 3.87Å; W202-A210 HydrophobicContact CE3-CB 4.2Å; W202-A210 HydrophobicContact CZ3-CB 4.02Å; W202-K213 HydrophobicContact CD2-CD 4.28Å; W202-K213 HydrophobicContact CE3-CD 4.29Å; W202-K213 HydrophobicContact CH2-CB 4.44Å; W202-K213 HydrophobicContact CH2-CD 3.98Å; W202-K213 HydrophobicContact CH2-CG 4.22Å; W202-K213 HydrophobicContact CZ2-CD 3.98Å; W202-K213 HydrophobicContact CZ2-CG 4.47Å; W202-K213 HydrophobicContact CZ3-CB 4.49Å; W202-K213 HydrophobicContact CZ3-CD 4.13Å; W202-Q214 HydrophobicContact CH2-CB 4.16Å; W202-Q214 VanDerWaalsContact CH2-OE1 3.3Å; W202-L217 HydrophobicContact CH2-CD1 4.32Å; W202-L217 HydrophobicContact CZ2-CD1 3.87Å
203V94.4Very high93.9Very high34 Ų3454.8 Ų54.821%0.20628%0.278CS..THydrogen-bonded Turntrans-64.5130.1178.5177.40000109.9M158 R162 L165 A200 L205M158-V203 HydrophobicContact CE-CG1 4.05Å; R162-V203 WeakPolarHBondContact CB-O 3.46Å; R162-V203 WeakPolarHBondContact CD-O 3.01Å; L165-V203 HydrophobicContact CD1-CB 4.32Å; L165-V203 HydrophobicContact CD1-CG1 4.07Å; L165-V203 HydrophobicContact CD1-CG2 4.11Å; A200-V203 WeakPolarHBondContact O-CB 3.16Å; A200-V203 PolarHBondContact O-N 3.41Å; A200-V203 VanDerWaalsContact O-N 3.14Å; V203-L205 PolarHBondContact O-N 3.48Å
204G90.7Very high94Very high13 Ų1354 Ų5413%0.13428%0.276CS..THydrogen-bonded Turntrans79.2-5.1171.500000116.4M158 W202M158-G204 VanDerWaalsContact CE-CA 3.47Å; W202-G204 PolarHBondContact O-N 2.77Å
205L94.4Very high94.2Very high14 Ų1457.5 Ų57.57%0.07329%0.285CS..  trans-60.1142.6171.6-73.4171.1000110.8Y28 R162 W202 V203 E209 A210 K213Y28-L205 HydrophobicContact CE2-CB 4.07Å; Y28-L205 PolarHBondContact OH-O 3.02Å; Y28-L205 VanDerWaalsContact OH-O 3.14Å; R162-L205 VanDerWaalsContact NH1-CG 3.33Å; W202-L205 HydrophobicContact CB-CD1 4.49Å; W202-L205 HydrophobicContact CD2-CD1 4.34Å; W202-L205 HydrophobicContact CE3-CD1 3.87Å; V203-L205 PolarHBondContact O-N 3.48Å; L205-E209 HydrophobicContact CB-CB 4.47Å; L205-E209 HydrophobicContact CD2-CB 3.67Å; L205-A210 HydrophobicContact CB-CB 4.19Å; L205-A210 HydrophobicContact CD1-CB 4.36Å; L205-K213 HydrophobicContact CD1-CD 3.86Å
206T93.6Very high94.3Very high56 Ų5660.7 Ų60.734%0.34430%0.302SS..  trans-75164.1165.2670000110.3Y28 D208 E209 A210Y28-T206 PolarHBondContact OH-O 3.18Å; T206-D208 PolarHBondContact O-N 3.43Å; T206-E209 PolarHBondContact N-OE2 3.15Å; T206-E209 VanDerWaalsContact N-OE2 3.08Å; T206-E209 PolarHBondContact O-N 3.42Å; T206-E209 WeakPolarHBondContact OG1-CB 3.13Å; T206-E209 VanDerWaalsContact OG1-CD 3.25Å; T206-E209 WeakPolarHBondContact OG1-CG 3.25Å; T206-E209 PolarHBondContact OG1-N 3.21Å; T206-A210 VanDerWaalsContact O-CB 3.31Å; T206-A210 WeakPolarHBondContact O-CB 3.13Å; T206-A210 PolarHBondContact O-N 2.77Å
207L93.1Very high94.2Very high52 Ų5262 Ų6227%0.27230%0.304SS..Hα-helixtrans-57.3-41178.6-173.166.1000111.5L16 Y21 L24 Y28 L32 V211L16-L207 HydrophobicContact CD2-CD1 3.84Å; L16-L207 HydrophobicContact CD2-CD2 4.41Å; Y21-L207 HydrophobicContact CD1-CD1 3.89Å; Y21-L207 HydrophobicContact CD1-CD2 4.37Å; Y21-L207 HydrophobicContact CD1-CG 4.22Å; Y21-L207 HydrophobicContact CE1-CD1 4.02Å; Y21-L207 HydrophobicContact CE1-CD2 3.87Å; Y21-L207 HydrophobicContact CE1-CG 3.82Å; L24-L207 HydrophobicContact CD1-CD1 4.38Å; Y28-L207 WeakPolarHBondContact OH-CA 3.23Å; Y28-L207 PolarHBondContact OH-N 3.3Å; L32-L207 HydrophobicContact CD1-CD1 4.02Å; L207-V211 VanDerWaalsContact O-CG2 3.25Å; L207-V211 WeakPolarHBondContact O-CG2 3.19Å; L207-V211 PolarHBondContact O-N 3.07Å
208D94.3Very high94.1Very high105 Ų10561.7 Ų61.756%0.56130%0.303SS*.Hα-helixtrans-69.6-46.2-179.2-59.7-33.4000111.2T206 A210 V211 E212T206-D208 PolarHBondContact O-N 3.43Å; D208-A210 VanDerWaalsContact C-N 3.31Å; D208-A210 PolarHBondContact O-N 3.2Å; D208-V211 PolarHBondContact O-N 3.49Å; D208-E212 WeakPolarHBondContact O-CG 3.48Å; D208-E212 PolarHBondContact O-N 3.05Å
209E94.9Very high94.2Very high50 Ų5060.8 Ų60.823%0.23430%0.298CS..Hα-helixtrans-61.6-38.6176-67.8164.7-171.800112L205 T206 E212 K213L205-E209 HydrophobicContact CB-CB 4.47Å; L205-E209 HydrophobicContact CD2-CB 3.67Å; T206-E209 PolarHBondContact N-OE2 3.15Å; T206-E209 VanDerWaalsContact N-OE2 3.08Å; T206-E209 PolarHBondContact O-N 3.42Å; T206-E209 WeakPolarHBondContact OG1-CB 3.13Å; T206-E209 VanDerWaalsContact OG1-CD 3.25Å; T206-E209 WeakPolarHBondContact OG1-CG 3.25Å; T206-E209 PolarHBondContact OG1-N 3.21Å; E209-E212 PolarHBondContact O-N 3.47Å; E209-K213 WeakPolarHBondContact O-CB 3.37Å; E209-K213 PolarHBondContact O-N 3.33Å
210A95.4Very high93.9Very high0 Ų064.7 Ų64.70%031%0.314CS..Hα-helixtrans-65.9-38.9176.700000112L24 Y28 W202 L205 T206 D208 Q214L24-A210 HydrophobicContact CD2-CB 4.27Å; Y28-A210 HydrophobicContact CD1-CB 4.28Å; Y28-A210 HydrophobicContact CE1-CB 3.49Å; Y28-A210 VanDerWaalsContact CE1-CB 3.49Å; Y28-A210 HydrophobicContact CE2-CB 4.25Å; Y28-A210 VanDerWaalsContact CZ-CB 3.47Å; Y28-A210 WeakPolarHBondContact OH-CB 3.33Å; W202-A210 HydrophobicContact CE3-CB 4.2Å; W202-A210 HydrophobicContact CZ3-CB 4.02Å; L205-A210 HydrophobicContact CB-CB 4.19Å; L205-A210 HydrophobicContact CD1-CB 4.36Å; T206-A210 VanDerWaalsContact O-CB 3.31Å; T206-A210 WeakPolarHBondContact O-CB 3.13Å; T206-A210 PolarHBondContact O-N 2.77Å; D208-A210 VanDerWaalsContact C-N 3.31Å; D208-A210 PolarHBondContact O-N 3.2Å; A210-Q214 WeakPolarHBondContact O-CB 3.5Å; A210-Q214 PolarHBondContact O-N 3.35Å
211V95.3Very high93.7Very high23 Ų2372.6 Ų72.614%0.13935%0.351CS..Hα-helixtrans-66.3-43.6174.8168.50000111.1I20 Y21 L207 D208 Q214 R215I20-V211 HydrophobicContact CD1-CG1 4.1Å; I20-V211 HydrophobicContact CG1-CG1 4.49Å; I20-V211 HydrophobicContact CG2-CG1 3.82Å; I20-V211 HydrophobicContact CG2-CG2 4.34Å; Y21-V211 HydrophobicContact CD1-CG2 3.64Å; Y21-V211 HydrophobicContact CE1-CG2 3.28Å; L207-V211 VanDerWaalsContact O-CG2 3.25Å; L207-V211 WeakPolarHBondContact O-CG2 3.19Å; L207-V211 PolarHBondContact O-N 3.07Å; D208-V211 PolarHBondContact O-N 3.49Å; V211-Q214 PolarHBondContact O-N 3.39Å; V211-R215 WeakPolarHBondContact O-CB 3.31Å; V211-R215 PolarHBondContact O-N 2.6Å
212E95.8Very high93.4Very high111 Ų11175.3 Ų75.352%0.51937%0.374SS..Hα-helixtrans-62.2-44.4176.6-73.4-177.9171.900111.5D208 E209 Q214 R215 L216D208-E212 WeakPolarHBondContact O-CG 3.48Å; D208-E212 PolarHBondContact O-N 3.05Å; E209-E212 PolarHBondContact O-N 3.47Å; E212-Q214 PolarHBondContact O-N 2.95Å; E212-R215 WeakPolarHBondContact O-CB 3.36Å; E212-R215 PolarHBondContact O-N 3.12Å; E212-L216 WeakPolarHBondContact O-CG 3.41Å; E212-L216 PolarHBondContact O-N 3.09Å
213K95.4Very high93.1Very high41 Ų4181.9 Ų81.918%0.17841%0.406CS..Hα-helixtrans-57.3-50.2173.9-174.2-176179.5-167.80111.2E201 W202 L205 E209 R215 L216 L217E201-K213 WeakPolarHBondContact OE2-CE 3.31Å; E201-K213 IonicContact OE2-NZ 3.99Å; E201-K213 PolarHBondContact OE2-NZ 3Å; W202-K213 HydrophobicContact CD2-CD 4.28Å; W202-K213 HydrophobicContact CE3-CD 4.29Å; W202-K213 HydrophobicContact CH2-CB 4.44Å; W202-K213 HydrophobicContact CH2-CD 3.98Å; W202-K213 HydrophobicContact CH2-CG 4.22Å; W202-K213 HydrophobicContact CZ2-CD 3.98Å; W202-K213 HydrophobicContact CZ2-CG 4.47Å; W202-K213 HydrophobicContact CZ3-CB 4.49Å; W202-K213 HydrophobicContact CZ3-CD 4.13Å; L205-K213 HydrophobicContact CD1-CD 3.86Å; E209-K213 WeakPolarHBondContact O-CB 3.37Å; E209-K213 PolarHBondContact O-N 3.33Å; K213-R215 VanDerWaalsContact C-N 3.29Å; K213-R215 PolarHBondContact O-N 2.9Å; K213-L216 PolarHBondContact O-N 3.48Å; K213-L217 HydrophobicContact CG-CD1 4.3Å; K213-L217 WeakPolarHBondContact O-CG 3.27Å; K213-L217 PolarHBondContact O-N 3.31Å
214Q94.7Very high93Very high24 Ų2484 Ų8411%0.11242%0.42CS..Hα-helixtrans-61.5-39.1178.3-172.164.714.100112I20 L24 W202 A210 V211 E212 L216 L217 E218I20-Q214 HydrophobicContact CD1-CB 4.23Å; I20-Q214 HydrophobicContact CD1-CG 4.25Å; I20-Q214 HydrophobicContact CG1-CB 4.24Å; I20-Q214 HydrophobicContact CG1-CG 3.94Å; L24-Q214 HydrophobicContact CD2-CB 3.8Å; L24-Q214 HydrophobicContact CD2-CG 4.2Å; W202-Q214 HydrophobicContact CH2-CB 4.16Å; W202-Q214 VanDerWaalsContact CH2-OE1 3.3Å; A210-Q214 WeakPolarHBondContact O-CB 3.5Å; A210-Q214 PolarHBondContact O-N 3.35Å; V211-Q214 PolarHBondContact O-N 3.39Å; E212-Q214 PolarHBondContact O-N 2.95Å; Q214-L216 VanDerWaalsContact C-N 3.33Å; Q214-L216 PolarHBondContact O-N 3.14Å; Q214-L217 PolarHBondContact O-N 3.39Å; Q214-E218 HydrophobicContact CG-CG 4.5Å; Q214-E218 PolarHBondContact NE2-OE1 2.94Å; Q214-E218 WeakPolarHBondContact O-CB 3.36Å; Q214-E218 WeakPolarHBondContact O-CG 3.42Å; Q214-E218 PolarHBondContact O-N 3.19Å
215R94.6Very high93.1Very high153 Ų15390.9 Ų90.958%0.57745%0.449SS*.Hα-helixtrans-62.2-41.7177.1-173.3-172.971.3168-0.4111.3I20 V211 E212 K213 H219I20-R215 HydrophobicContact CD1-CB 3.94Å; V211-R215 WeakPolarHBondContact O-CB 3.31Å; V211-R215 PolarHBondContact O-N 2.6Å; E212-R215 WeakPolarHBondContact O-CB 3.36Å; E212-R215 PolarHBondContact O-N 3.12Å; K213-R215 VanDerWaalsContact C-N 3.29Å; K213-R215 PolarHBondContact O-N 2.9Å; R215-H219 WeakPolarHBondContact O-CB 3.49Å; R215-H219 PolarHBondContact O-N 3.23Å
216L95.2Very high93.1Very high120 Ų12097.6 Ų97.663%0.62848%0.477SS*.Hα-helixtrans-68.1-38.7177.3-69171.7000111.8E212 K213 Q214 H219E212-L216 WeakPolarHBondContact O-CG 3.41Å; E212-L216 PolarHBondContact O-N 3.09Å; K213-L216 PolarHBondContact O-N 3.48Å; Q214-L216 VanDerWaalsContact C-N 3.33Å; Q214-L216 PolarHBondContact O-N 3.14Å; L216-H219 WeakPolarHBondContact O-CB 3.34Å; L216-H219 PolarHBondContact O-N 3.45Å
217L92.9Very high93Very high107 Ų107100.8 Ų100.856%0.5649%0.486SS*.Hα-helixtrans-65.3-39175.7-70.1172.2000112.7W202 K213 Q214 H219W202-L217 HydrophobicContact CH2-CD1 4.32Å; W202-L217 HydrophobicContact CZ2-CD1 3.87Å; K213-L217 HydrophobicContact CG-CD1 4.3Å; K213-L217 WeakPolarHBondContact O-CG 3.27Å; K213-L217 PolarHBondContact O-N 3.31Å; Q214-L217 PolarHBondContact O-N 3.39Å; L217-H219 VanDerWaalsContact C-N 3.3Å
218E92.3Very high92.9Very high68 Ų68100.3 Ų100.332%0.31849%0.49SS..Hα-helixtrans-82.6-9177.3-68.6177.6-176.200112.9R23 Q214 K220R23-E218 WeakPolarHBondContact CD-OE1 3.44Å; R23-E218 IonicContact CZ-OE1 3.87Å; R23-E218 IonicContact CZ-OE2 3.28Å; R23-E218 VanDerWaalsContact CZ-OE2 3.28Å; R23-E218 VanDerWaalsContact NE-CD 3.32Å; R23-E218 IonicContact NE-OE1 3.77Å; R23-E218 PolarHBondContact NE-OE1 3.14Å; R23-E218 IonicContact NE-OE2 2.73Å; R23-E218 PolarHBondContact NE-OE2 3.44Å; R23-E218 IonicContact NH2-OE1 3.06Å; R23-E218 IonicContact NH2-OE2 2.71Å; R23-E218 PolarHBondContact NH2-OE2 3.18Å; Q214-E218 HydrophobicContact CG-CG 4.5Å; Q214-E218 PolarHBondContact NE2-OE1 2.94Å; Q214-E218 WeakPolarHBondContact O-CB 3.36Å; Q214-E218 WeakPolarHBondContact O-CG 3.42Å; Q214-E218 PolarHBondContact O-N 3.19Å; E218-K220 PolarHBondContact O-N 3.36Å
219H93Very high93Very high139 Ų139100.3 Ų100.364%0.64449%0.49SS*.  trans-66.6104.5-179-170.362.5000109.4R215 L216 L217R215-H219 WeakPolarHBondContact O-CB 3.49Å; R215-H219 PolarHBondContact O-N 3.23Å; L216-H219 WeakPolarHBondContact O-CB 3.34Å; L216-H219 PolarHBondContact O-N 3.45Å; L217-H219 VanDerWaalsContact C-N 3.3Å
220K89.2Confident93.1Very high168 Ų168100.9 Ų100.973%0.7350%0.496SS*.  trans-126.1132.3173.3-64.1-178.4-179.4-175.60107.1E218E218-K220 PolarHBondContact O-N 3.36Å
221E88Confident93.1Very high165 Ų165106.5 Ų106.577%0.77152%0.523SS*.PPolyproline II helixtrans-60.1137.9171.6-67.3-173.416800108.9E223E221-E223 PolarHBondContact O-N 3.07Å
222P89.3Confident93.1Very high122 Ų122111.2 Ų111.279%0.79254%0.541SS*.PPolyproline II helixtrans-60.5118.5-179.625.4-33.1000108.8P224P222-P224 WeakPolarHBondContact O-CD 3.47Å
223E87.9Confident93.1Very high155 Ų155110.4 Ų110.472%0.72454%0.54SS*.PPolyproline II helixtrans-62.6129.1178.1-69.8-179.2176.600109.4E221 Q225E221-E223 PolarHBondContact O-N 3.07Å; E223-Q225 PolarHBondContact O-N 3.21Å
224P92.8Very high93.2Very high77 Ų77111.7 Ų111.750%0.555%0.551SS.*PPolyproline II helixtrans-56.3128.6177.2-25.233.2000110.4P222 F226 K227P222-P224 WeakPolarHBondContact O-CD 3.47Å; P224-F226 PolarHBondContact O-N 3.4Å; P224-K227 PolarHBondContact O-N 2.84Å
225Q92.3Very high93.3Very high159 Ų159115.9 Ų115.974%0.74357%0.571SS**Hα-helixtrans-54.9-25.8-178-67.4-178.7-14.200113.2E223 K227 A228 L229E223-Q225 PolarHBondContact O-N 3.21Å; Q225-K227 VanDerWaalsContact C-N 3.3Å; Q225-K227 PolarHBondContact O-N 2.84Å; Q225-A228 PolarHBondContact O-N 3.38Å; Q225-L229 WeakPolarHBondContact O-CG 3.44Å; Q225-L229 PolarHBondContact O-N 3.24Å
226F94.3Very high93.3Very high154 Ų154113.7 Ų113.768%0.67557%0.567SS**Hα-helixtrans-51.5-46.9174-178.7-95.3000112.5P224 A228 L229 V230P224-F226 PolarHBondContact O-N 3.4Å; F226-A228 PolarHBondContact O-N 2.94Å; F226-L229 PolarHBondContact O-N 3.29Å; F226-V230 HydrophobicContact CD1-CG2 4.08Å; F226-V230 HydrophobicContact CD2-CG2 4.44Å; F226-V230 HydrophobicContact CE1-CG2 3.68Å; F226-V230 HydrophobicContact CE2-CG2 4.07Å; F226-V230 HydrophobicContact CG-CG2 4.45Å; F226-V230 HydrophobicContact CZ-CG2 3.67Å; F226-V230 VanDerWaalsContact O-CG2 3.29Å; F226-V230 WeakPolarHBondContact O-CG2 3.32Å; F226-V230 PolarHBondContact O-N 3.39Å
227K91.8Very high93.3Very high123 Ų123112 Ų11254%0.53556%0.558SS.*Hα-helixtrans-61.3-49.5-179.1-67.5-176.4177.3-178.60111P224 Q225 L229 V230 E231P224-K227 PolarHBondContact O-N 2.84Å; Q225-K227 VanDerWaalsContact C-N 3.3Å; Q225-K227 PolarHBondContact O-N 2.84Å; K227-L229 VanDerWaalsContact C-N 3.3Å; K227-L229 PolarHBondContact O-N 3.04Å; K227-V230 PolarHBondContact O-N 3.13Å; K227-E231 WeakPolarHBondContact O-CG 3.2Å; K227-E231 PolarHBondContact O-N 3.27Å
228A92.6Very high93.4Very high42 Ų42112.2 Ų112.235%0.34756%0.556SS.*Hα-helixtrans-62.1-35.2178.500000113.1Q225 F226 K232Q225-A228 PolarHBondContact O-N 3.38Å; F226-A228 PolarHBondContact O-N 2.94Å; A228-K232 VanDerWaalsContact O-CG 3.29Å; A228-K232 WeakPolarHBondContact O-CG 3.42Å; A228-K232 PolarHBondContact O-N 2.88Å
229L95.4Very high93.5Very high106 Ų106114.2 Ų114.256%0.55557%0.568SS**Hα-helixtrans-72.3-39.9176.6-71.2172.2000112.2Q225 F226 K227 K232 L233Q225-L229 WeakPolarHBondContact O-CG 3.44Å; Q225-L229 PolarHBondContact O-N 3.24Å; F226-L229 PolarHBondContact O-N 3.29Å; K227-L229 VanDerWaalsContact C-N 3.3Å; K227-L229 PolarHBondContact O-N 3.04Å; L229-K232 PolarHBondContact O-N 2.97Å; L229-L233 PolarHBondContact O-N 2.96Å
230V96.6Very high93.4Very high61 Ų61113.3 Ų113.337%0.3756%0.562SS.*Hα-helixtrans-63.6-44.3175.7170.50000110.7F226 K227 K232 L233 V234F226-V230 HydrophobicContact CD1-CG2 4.08Å; F226-V230 HydrophobicContact CD2-CG2 4.44Å; F226-V230 HydrophobicContact CE1-CG2 3.68Å; F226-V230 HydrophobicContact CE2-CG2 4.07Å; F226-V230 HydrophobicContact CG-CG2 4.45Å; F226-V230 HydrophobicContact CZ-CG2 3.67Å; F226-V230 VanDerWaalsContact O-CG2 3.29Å; F226-V230 WeakPolarHBondContact O-CG2 3.32Å; F226-V230 PolarHBondContact O-N 3.39Å; K227-V230 PolarHBondContact O-N 3.13Å; V230-K232 PolarHBondContact O-N 3.14Å; V230-L233 PolarHBondContact O-N 3.14Å; V230-V234 HydrophobicContact CG1-CG2 4.44Å; V230-V234 WeakPolarHBondContact O-CG2 3.5Å; V230-V234 PolarHBondContact O-N 2.96Å
231E95.4Very high93.4Very high119 Ų119112.6 Ų112.656%0.55656%0.559SS**Hα-helixtrans-59.1-44.8176-74.5172.3-172.900112.1K227 L233 V234 Q235K227-E231 WeakPolarHBondContact O-CG 3.2Å; K227-E231 PolarHBondContact O-N 3.27Å; E231-L233 PolarHBondContact O-N 2.92Å; E231-V234 PolarHBondContact O-N 3.03Å; E231-Q235 WeakPolarHBondContact O-CG 3.45Å; E231-Q235 PolarHBondContact O-N 2.9Å
232K95.9Very high93.3Very high121 Ų121111.6 Ų111.653%0.52656%0.559SS.*Hα-helixtrans-60-44.2174.5-73.5174.5-174.7-177.20112.1A228 L229 V230 V234 Q235 E236A228-K232 VanDerWaalsContact O-CG 3.29Å; A228-K232 WeakPolarHBondContact O-CG 3.42Å; A228-K232 PolarHBondContact O-N 2.88Å; L229-K232 PolarHBondContact O-N 2.97Å; V230-K232 PolarHBondContact O-N 3.14Å; K232-V234 PolarHBondContact O-N 3.45Å; K232-Q235 PolarHBondContact O-N 3.41Å; K232-E236 WeakPolarHBondContact O-CG 3.47Å; K232-E236 PolarHBondContact O-N 3.4Å
233L96.3Very high93Very high95 Ų95112.7 Ų112.750%0.49756%0.557SS.*Hα-helixtrans-63.4-42.1179.1-177.967.9000111.6L229 V230 E231 E236 L237L229-L233 PolarHBondContact O-N 2.96Å; V230-L233 PolarHBondContact O-N 3.14Å; E231-L233 PolarHBondContact O-N 2.92Å; L233-E236 PolarHBondContact O-N 2.78Å; L233-L237 HydrophobicContact CG-CD1 4.19Å; L233-L237 VanDerWaalsContact O-CG 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.39Å; L233-L237 PolarHBondContact O-N 3.16Å
234V96.6Very high92.6Very high67 Ų67111.5 Ų111.541%0.40655%0.551SS.*Hα-helixtrans-61.4-46.8175.9172.30000110.5V230 E231 K232 E236 L237 E238V230-V234 HydrophobicContact CG1-CG2 4.44Å; V230-V234 WeakPolarHBondContact O-CG2 3.5Å; V230-V234 PolarHBondContact O-N 2.96Å; E231-V234 PolarHBondContact O-N 3.03Å; K232-V234 PolarHBondContact O-N 3.45Å; V234-E236 VanDerWaalsContact C-N 3.34Å; V234-E236 PolarHBondContact O-N 2.86Å; V234-L237 PolarHBondContact O-N 2.86Å; V234-L237 VanDerWaalsContact O-N 3.17Å; V234-E238 HydrophobicContact CG1-CG 4.42Å; V234-E238 WeakPolarHBondContact O-CG 3.22Å; V234-E238 PolarHBondContact O-N 2.89Å
235Q96Very high91.2Very high113 Ų113113.1 Ų113.153%0.52856%0.562SS.*Hα-helixtrans-58.7-43.2176-71.9172.91.500112.2E231 K232 L237 E238 L239E231-Q235 WeakPolarHBondContact O-CG 3.45Å; E231-Q235 PolarHBondContact O-N 2.9Å; K232-Q235 PolarHBondContact O-N 3.41Å; Q235-L237 VanDerWaalsContact C-N 3.34Å; Q235-L237 PolarHBondContact O-N 2.84Å; Q235-E238 PolarHBondContact O-N 2.89Å; Q235-L239 WeakPolarHBondContact O-CB 3.49Å; Q235-L239 VanDerWaalsContact O-CG 3.3Å; Q235-L239 WeakPolarHBondContact O-CG 3.24Å; Q235-L239 PolarHBondContact O-N 3.19Å
236E96Very high89.5Confident106 Ų106114.3 Ų114.350%0.49557%0.567SS.*Hα-helixtrans-63.1-39176.4-75.3178-170.900112.6K232 L233 V234 K240K232-E236 WeakPolarHBondContact O-CG 3.47Å; K232-E236 PolarHBondContact O-N 3.4Å; L233-E236 PolarHBondContact O-N 2.78Å; V234-E236 VanDerWaalsContact C-N 3.34Å; V234-E236 PolarHBondContact O-N 2.86Å; E236-K240 WeakPolarHBondContact O-CG 3.27Å; E236-K240 PolarHBondContact O-N 3.47Å
237L94.6Very high87.8Confident84 Ų84112.9 Ų112.944%0.4457%0.571SS.*Hα-helixtrans-71.5-37.8177.8-69.7172.5000112.1L233 V234 Q235 K240 K241L233-L237 HydrophobicContact CG-CD1 4.19Å; L233-L237 VanDerWaalsContact O-CG 3.27Å; L233-L237 WeakPolarHBondContact O-CG 3.39Å; L233-L237 PolarHBondContact O-N 3.16Å; V234-L237 PolarHBondContact O-N 2.86Å; V234-L237 VanDerWaalsContact O-N 3.17Å; Q235-L237 VanDerWaalsContact C-N 3.34Å; Q235-L237 PolarHBondContact O-N 2.84Å; L237-K240 PolarHBondContact O-N 2.85Å; L237-K241 WeakPolarHBondContact O-CG 3.47Å; L237-K241 PolarHBondContact O-N 2.84Å
238E94.6Very high85.8Confident113 Ų113112.3 Ų112.353%0.52858%0.578SS.*Hα-helixtrans-62.5-45.4173.1-74.2175.5175.900111.4V234 Q235 K240 K241 L242V234-E238 HydrophobicContact CG1-CG 4.42Å; V234-E238 WeakPolarHBondContact O-CG 3.22Å; V234-E238 PolarHBondContact O-N 2.89Å; Q235-E238 PolarHBondContact O-N 2.89Å; E238-K240 VanDerWaalsContact C-N 3.33Å; E238-K240 PolarHBondContact O-N 3.31Å; E238-K241 PolarHBondContact O-N 3.13Å; E238-L242 WeakPolarHBondContact O-CG 3.23Å; E238-L242 PolarHBondContact O-N 3.33Å
239L94.1Very high83.7Confident109 Ų109119 Ų11957%0.57160%0.602SS**Hα-helixtrans-60.4-41.9175-72.5172.4000111.9Q235 L242 L243Q235-L239 WeakPolarHBondContact O-CB 3.49Å; Q235-L239 VanDerWaalsContact O-CG 3.3Å; Q235-L239 WeakPolarHBondContact O-CG 3.24Å; Q235-L239 PolarHBondContact O-N 3.19Å; L239-L242 PolarHBondContact O-N 3.26Å; L239-L243 WeakPolarHBondContact O-CG 3.43Å; L239-L243 PolarHBondContact O-N 3.27Å; L239-L243 VanDerWaalsContact O-N 3.14Å
240K92.1Very high81.4Confident120 Ų120123.6 Ų123.652%0.52262%0.617SS.*Hα-helixtrans-61.4-45.3175.2-78.1173-179.7174.10112.1E236 L237 E238 L242 L243 E244E236-K240 WeakPolarHBondContact O-CG 3.27Å; E236-K240 PolarHBondContact O-N 3.47Å; L237-K240 PolarHBondContact O-N 2.85Å; E238-K240 VanDerWaalsContact C-N 3.33Å; E238-K240 PolarHBondContact O-N 3.31Å; K240-L242 VanDerWaalsContact C-N 3.29Å; K240-L242 PolarHBondContact O-N 3.39Å; K240-L243 PolarHBondContact O-N 3.01Å; K240-L243 VanDerWaalsContact O-N 3.11Å; K240-E244 PolarHBondContact O-N 2.75Å; K240-E244 VanDerWaalsContact O-N 3.09Å
241K90Very high78.8Confident153 Ų153133.8 Ų133.867%0.66566%0.657SS**Hα-helixtrans-62-34.3177.1-75.1178.7179.5-179.40113.3L237 E238 L243L237-K241 WeakPolarHBondContact O-CG 3.47Å; L237-K241 PolarHBondContact O-N 2.84Å; E238-K241 PolarHBondContact O-N 3.13Å; K241-L243 VanDerWaalsContact C-N 3.33Å
242L85.5Confident77.9Confident145 Ų145134.5 Ų134.576%0.75966%0.662SS**Hα-helixtrans-72.7-26.8175.8-70.1168.6000112.9E238 L239 K240E238-L242 WeakPolarHBondContact O-CG 3.23Å; E238-L242 PolarHBondContact O-N 3.33Å; L239-L242 PolarHBondContact O-N 3.26Å; K240-L242 VanDerWaalsContact C-N 3.29Å; K240-L242 PolarHBondContact O-N 3.39Å
243L81.7Confident77Confident145 Ų145135.2 Ų135.276%0.75967%0.669SS**Hα-helixtrans-83.4-20.1177.2-71.5171.1000113.1L239 K240 K241 P245L239-L243 WeakPolarHBondContact O-CG 3.43Å; L239-L243 PolarHBondContact O-N 3.27Å; L239-L243 VanDerWaalsContact O-N 3.14Å; K240-L243 PolarHBondContact O-N 3.01Å; K240-L243 VanDerWaalsContact O-N 3.11Å; K241-L243 VanDerWaalsContact C-N 3.33Å; L243-P245 WeakPolarHBondContact O-CD 3.34Å
244E79.4Confident75.9Confident129 Ų129137.4 Ų137.460%0.60368%0.678SS**SBendtrans-68.7121.2173.1-74.6173.9-172.400109.7K240 H246K240-E244 PolarHBondContact O-N 2.75Å; K240-E244 VanDerWaalsContact O-N 3.09Å; E244-H246 PolarHBondContact O-N 3.08Å
245P64.5Low74.7Confident111 Ų111141.6 Ų141.672%0.72169%0.694SS**  trans-64.1128.9178.725.2-31.5000109.4L243 V247L243-P245 WeakPolarHBondContact O-CD 3.34Å; P245-V247 PolarHBondContact O-N 2.63Å
246H56.8Low73.4Confident184 Ų184143.4 Ų143.485%0.85271%0.705SS**  trans-56.2105.6171.2-116.768.7000108.2E244 T248E244-H246 PolarHBondContact O-N 3.08Å; H246-T248 VanDerWaalsContact C-N 3.25Å; H246-T248 PolarHBondContact O-N 3.01Å
247V57.5Low71.9Confident125 Ų125145.9 Ų145.976%0.75872%0.719SS**  trans-68.992.9170.3-179.60000105.9P245 E249P245-V247 PolarHBondContact O-N 2.63Å; V247-E249 PolarHBondContact O-N 3.03Å
248T49.9Very low70.2Confident111 Ų111150.3 Ų150.368%0.68174%0.739SS**  trans-63.6101.116644.60000107.2H246 K250H246-T248 VanDerWaalsContact C-N 3.25Å; H246-T248 PolarHBondContact O-N 3.01Å; T248-K250 PolarHBondContact O-N 3.03Å
249E49.7Very low68.4Low183 Ų183153.2 Ų153.286%0.85576%0.755SS**  trans-59.2107.4167.4-71.3-173.9162.500108.1V247 K251V247-E249 PolarHBondContact O-N 3.03Å; E249-K251 PolarHBondContact O-N 3.18Å
250K46.1Very low66.2Low201 Ų201156.8 Ų156.887%0.87477%0.77SS**  trans-72.8113.6169.6-77.9-177.1174.9179.10107.9T248T248-K250 PolarHBondContact O-N 3.03Å
251K41.6Very low63.9Low275 Ų275160.2 Ų160.2100%1.19679%0.793SS**  trans-67.60162.6-83.4-178.1174.2177.50111.3E249E249-K251 PolarHBondContact O-N 3.18Å

Retrieved 251 of 251 residues in 116.8 ms (Link to these results)

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