A0A096NMZ1_PAPAN Loading...

StAR-related lipid transfer protein 5

May be involved in the intracellular transport of sterols or other lipids. May bind cholesterol or other sterols.

AlphaFold DB , UniProt , Accession A0A096NMZ1, Species PAPAN (Papio anubis, Olive baboon), Gene STARD5, Length 213 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
1M76.4Confident93.7Very high66 Ų6666.6 Ų66.633%0.32537%0.366SS..  0145.90-177.4-175.8-71.800108.7A6 M9 L119 V137M1-A6 HydrophobicContact CG-CB 4.01Å; M1-A6 VanDerWaalsContact SD-CA 3.54Å; M1-A6 HydrophobicContact SD-CB 3.3Å; M1-A6 WeakPolarHBondContact SD-CB 3.4Å; M1-M9 HydrophobicContact CE-CE 3.72Å; M1-M9 HydrophobicContact SD-CE 4.14Å; M1-L119 HydrophobicContact SD-CD1 4.32Å; M1-L119 HydrophobicContact SD-CD2 4.21Å; M1-V137 HydrophobicContact CE-CB 3.98Å; M1-V137 HydrophobicContact CE-CG1 4.09Å; M1-V137 HydrophobicContact CE-CG2 3.1Å
2D89.2Confident94.1Very high93 Ų9365.3 Ų65.350%0.49737%0.371SS..  trans-63.2127.3170.8172.867.7000110.4T4 L5 A6D2-T4 VanDerWaalsContact C-N 3.32Å; D2-T4 PolarHBondContact O-N 3.16Å; D2-T4 WeakPolarHBondContact OD2-CB 3.27Å; D2-T4 PolarHBondContact OD2-N 2.9Å; D2-T4 VanDerWaalsContact OD2-N 3.16Å; D2-L5 HydrophobicContact CB-CB 4.08Å; D2-L5 PolarHBondContact O-N 3.46Å; D2-L5 PolarHBondContact OD2-N 2.98Å; D2-A6 WeakPolarHBondContact O-CB 3.49Å; D2-A6 PolarHBondContact O-N 3Å
3P91.4Very high94.5Very high76 Ų7661 Ų6149%0.49435%0.346SS..Hα-helixtrans-61-35-176-26.735.6000114.5A6 A7 I92P3-A6 WeakPolarHBondContact O-CB 3.29Å; P3-A6 PolarHBondContact O-N 3.09Å; P3-A7 WeakPolarHBondContact O-CB 3.3Å; P3-A7 PolarHBondContact O-N 3.21Å; P3-I92 HydrophobicContact CB-CG2 4.1Å
4T93.6Very high94.8Very high90 Ų9056.7 Ų56.755%0.55232%0.322SS*.Hα-helixtrans-69.5-45.8179.5-60.60000110.7D2 A6 A7 Q8D2-T4 VanDerWaalsContact C-N 3.32Å; D2-T4 PolarHBondContact O-N 3.16Å; D2-T4 WeakPolarHBondContact OD2-CB 3.27Å; D2-T4 PolarHBondContact OD2-N 2.9Å; D2-T4 VanDerWaalsContact OD2-N 3.16Å; T4-A6 VanDerWaalsContact C-N 3.31Å; T4-A6 PolarHBondContact O-N 3.47Å; T4-A7 PolarHBondContact O-N 2.94Å; T4-Q8 WeakPolarHBondContact O-CG 3.37Å; T4-Q8 PolarHBondContact O-N 3.08Å
5L94.3Very high95Very high96 Ų9660.1 Ų60.150%0.50333%0.334SS..Hα-helixtrans-60.9-41173.2-178.861.6000111.7D2 A7 Q8 M9D2-L5 HydrophobicContact CB-CB 4.08Å; D2-L5 PolarHBondContact O-N 3.46Å; D2-L5 PolarHBondContact OD2-N 2.98Å; L5-A7 PolarHBondContact O-N 3.2Å; L5-Q8 PolarHBondContact O-N 3.19Å; L5-M9 WeakPolarHBondContact O-CB 3.46Å; L5-M9 PolarHBondContact O-N 3.5Å
6A96.5Very high95.3Very high0 Ų059.3 Ų59.30%033%0.326CS..Hα-helixtrans-59-48.1176.600000111.5M1 D2 P3 T4 M9 S10 I92 L96 L119M1-A6 HydrophobicContact CG-CB 4.01Å; M1-A6 VanDerWaalsContact SD-CA 3.54Å; M1-A6 HydrophobicContact SD-CB 3.3Å; M1-A6 WeakPolarHBondContact SD-CB 3.4Å; D2-A6 WeakPolarHBondContact O-CB 3.49Å; D2-A6 PolarHBondContact O-N 3Å; P3-A6 WeakPolarHBondContact O-CB 3.29Å; P3-A6 PolarHBondContact O-N 3.09Å; T4-A6 VanDerWaalsContact C-N 3.31Å; T4-A6 PolarHBondContact O-N 3.47Å; A6-M9 PolarHBondContact O-N 3.23Å; A6-S10 VanDerWaalsContact O-CB 3.23Å; A6-S10 WeakPolarHBondContact O-CB 3.48Å; A6-S10 PolarHBondContact O-N 3.11Å; A6-S10 PolarHBondContact O-OG 3.33Å; A6-S10 VanDerWaalsContact O-OG 3.07Å; A6-I92 HydrophobicContact CB-CD1 3.79Å; A6-I92 HydrophobicContact CB-CG2 4.4Å; A6-L96 HydrophobicContact CB-CD2 3.94Å; A6-L119 HydrophobicContact CB-CD1 4.48Å
7A97Very high95.5Very high47 Ų4755.8 Ų55.839%0.38831%0.307SS..Hα-helixtrans-59.3-51.117800000111.1P3 T4 L5 M9 S10 E11P3-A7 WeakPolarHBondContact O-CB 3.3Å; P3-A7 PolarHBondContact O-N 3.21Å; T4-A7 PolarHBondContact O-N 2.94Å; L5-A7 PolarHBondContact O-N 3.2Å; A7-M9 PolarHBondContact O-N 3.45Å; A7-S10 PolarHBondContact O-N 3.36Å; A7-S10 PolarHBondContact O-OG 2.85Å; A7-E11 WeakPolarHBondContact O-CB 3.41Å; A7-E11 PolarHBondContact O-N 2.97Å
8Q97.7Very high95.6Very high129 Ų12954.6 Ų54.660%0.60330%0.3SS*.Hα-helixtrans-58.2-47.7179.1-72.5175.3-10.900112.6T4 L5 E11 A12T4-Q8 WeakPolarHBondContact O-CG 3.37Å; T4-Q8 PolarHBondContact O-N 3.08Å; L5-Q8 PolarHBondContact O-N 3.19Å; Q8-E11 PolarHBondContact O-N 3.06Å; Q8-A12 PolarHBondContact O-N 3.46Å; Q8-A12 VanDerWaalsContact O-N 3.11Å
9M97.9Very high95.8Very high64 Ų6459.8 Ų59.832%0.31531%0.314SS..Hα-helixtrans-64-44.5179.6-174.517169.500111.3M1 L5 A6 A7 E11 A12 V13 L119 V137M1-M9 HydrophobicContact CE-CE 3.72Å; M1-M9 HydrophobicContact SD-CE 4.14Å; L5-M9 WeakPolarHBondContact O-CB 3.46Å; L5-M9 PolarHBondContact O-N 3.5Å; A6-M9 PolarHBondContact O-N 3.23Å; A7-M9 PolarHBondContact O-N 3.45Å; M9-E11 VanDerWaalsContact C-N 3.34Å; M9-E11 PolarHBondContact O-N 3.36Å; M9-A12 PolarHBondContact O-N 3.3Å; M9-V13 VanDerWaalsContact O-CG2 3.3Å; M9-V13 WeakPolarHBondContact O-CG2 3.22Å; M9-V13 PolarHBondContact O-N 3.48Å; M9-L119 HydrophobicContact CB-CD2 4.43Å; M9-L119 HydrophobicContact CE-CB 4.32Å; M9-L119 HydrophobicContact CE-CD2 3.31Å; M9-L119 HydrophobicContact CE-CG 4.43Å; M9-V137 HydrophobicContact CE-CG2 4.28Å
10S98.4Very high95.9Very high6 Ų657.5 Ų57.54%0.04230%0.301CS..Hα-helixtrans-67.3-33.6-179.2730000113.4A6 A7 V13 A14A6-S10 VanDerWaalsContact O-CB 3.23Å; A6-S10 WeakPolarHBondContact O-CB 3.48Å; A6-S10 PolarHBondContact O-N 3.11Å; A6-S10 PolarHBondContact O-OG 3.33Å; A6-S10 VanDerWaalsContact O-OG 3.07Å; A7-S10 PolarHBondContact O-N 3.36Å; A7-S10 PolarHBondContact O-OG 2.85Å; S10-V13 WeakPolarHBondContact O-CB 3.48Å; S10-V13 PolarHBondContact O-N 2.9Å; S10-A14 PolarHBondContact O-N 3.09Å
11E98.5Very high96Very high66 Ų6657.8 Ų57.831%0.30830%0.298SS..Hα-helixtrans-68.3-42.9174.9-171.157.2-143.300110.9A7 Q8 M9 V13 A14 E15 K123A7-E11 WeakPolarHBondContact O-CB 3.41Å; A7-E11 PolarHBondContact O-N 2.97Å; Q8-E11 PolarHBondContact O-N 3.06Å; M9-E11 VanDerWaalsContact C-N 3.34Å; M9-E11 PolarHBondContact O-N 3.36Å; E11-V13 VanDerWaalsContact C-N 3.25Å; E11-V13 PolarHBondContact O-N 3.01Å; E11-A14 PolarHBondContact O-N 3.06Å; E11-A14 VanDerWaalsContact O-N 3.07Å; E11-E15 WeakPolarHBondContact O-CG 3.41Å; E11-E15 PolarHBondContact O-N 2.87Å; E11-K123 IonicContact OE1-NZ 2.77Å; E11-K123 PolarHBondContact OE1-NZ 3.15Å; E11-K123 IonicContact OE2-NZ 3.59Å
12A98.6Very high97Very high51 Ų5163.3 Ų63.342%0.42132%0.316SS..Hα-helixtrans-60.5-35.1174.100000112.5Q8 M9 K16Q8-A12 PolarHBondContact O-N 3.46Å; Q8-A12 VanDerWaalsContact O-N 3.11Å; M9-A12 PolarHBondContact O-N 3.3Å; A12-K16 WeakPolarHBondContact O-CB 3.38Å; A12-K16 PolarHBondContact O-N 3.39Å; A12-K16 VanDerWaalsContact O-N 3.11Å
13V98.8Very high97.3Very high9 Ų961.8 Ų61.86%0.05531%0.308CS..Hα-helixtrans-64.5-48172.2174.10000110.4M9 S10 E11 E15 K16 V17 N133 T135 P155M9-V13 VanDerWaalsContact O-CG2 3.3Å; M9-V13 WeakPolarHBondContact O-CG2 3.22Å; M9-V13 PolarHBondContact O-N 3.48Å; S10-V13 WeakPolarHBondContact O-CB 3.48Å; S10-V13 PolarHBondContact O-N 2.9Å; E11-V13 VanDerWaalsContact C-N 3.25Å; E11-V13 PolarHBondContact O-N 3.01Å; V13-E15 PolarHBondContact O-N 2.83Å; V13-K16 WeakPolarHBondContact O-CB 3.41Å; V13-K16 PolarHBondContact O-N 3.14Å; V13-K16 VanDerWaalsContact O-N 3.13Å; V13-V17 HydrophobicContact CG1-CG2 4.24Å; V13-V17 WeakPolarHBondContact O-CG2 3.43Å; V13-V17 PolarHBondContact O-N 3.38Å; V13-N133 HydrophobicContact CG1-CB 4.17Å; V13-T135 HydrophobicContact CG2-CG2 3.44Å; V13-T135 VanDerWaalsContact CG2-CG2 3.44Å; V13-P155 HydrophobicContact CG1-CB 4.09Å; V13-P155 HydrophobicContact CG1-CG 4.5Å; V13-P155 HydrophobicContact CG2-CG 4.46Å
14A98.8Very high97.3Very high1 Ų165.9 Ų65.91%0.00832%0.324CS..Hα-helixtrans-61.5-41.8178.900000112.6S10 E11 K16 V17 L18 L121 K123 N133S10-A14 PolarHBondContact O-N 3.09Å; E11-A14 PolarHBondContact O-N 3.06Å; E11-A14 VanDerWaalsContact O-N 3.07Å; A14-K16 VanDerWaalsContact C-N 3.29Å; A14-K16 PolarHBondContact O-N 2.99Å; A14-V17 PolarHBondContact O-N 3.04Å; A14-L18 VanDerWaalsContact O-CB 3.22Å; A14-L18 WeakPolarHBondContact O-CB 3.48Å; A14-L18 PolarHBondContact O-N 3.4Å; A14-L121 HydrophobicContact CB-CD2 4.11Å; A14-K123 HydrophobicContact CB-CD 4.31Å; A14-N133 WeakPolarHBondContact CA-OD1 3.35Å; A14-N133 HydrophobicContact CB-CB 3.96Å
15E98.6Very high97.4Very high107 Ų10764.3 Ų64.350%0.532%0.32SS..Hα-helixtrans-60.4-39.1173.5-71.8-180172.800112.3E11 V13 R19E11-E15 WeakPolarHBondContact O-CG 3.41Å; E11-E15 PolarHBondContact O-N 2.87Å; V13-E15 PolarHBondContact O-N 2.83Å; E15-R19 WeakPolarHBondContact O-CG 3.14Å; E15-R19 PolarHBondContact O-N 3.2Å
16K98.7Very high97.3Very high47 Ų4762.4 Ų62.420%0.20432%0.323CS..Hα-helixtrans-71.7-43.3179.4-167.9162.7179.5174.80112.5A12 V13 A14 L18 R19 Y20 E45 P155A12-K16 WeakPolarHBondContact O-CB 3.38Å; A12-K16 PolarHBondContact O-N 3.39Å; A12-K16 VanDerWaalsContact O-N 3.11Å; V13-K16 WeakPolarHBondContact O-CB 3.41Å; V13-K16 PolarHBondContact O-N 3.14Å; V13-K16 VanDerWaalsContact O-N 3.13Å; A14-K16 VanDerWaalsContact C-N 3.29Å; A14-K16 PolarHBondContact O-N 2.99Å; K16-L18 VanDerWaalsContact C-N 3.31Å; K16-L18 PolarHBondContact O-N 3.47Å; K16-R19 WeakPolarHBondContact O-CB 3.4Å; K16-R19 PolarHBondContact O-N 2.66Å; K16-R19 VanDerWaalsContact O-N 3.15Å; K16-Y20 VanDerWaalsContact CE-OH 3.32Å; K16-Y20 WeakPolarHBondContact CE-OH 3.06Å; K16-Y20 HydrophobicContact CG-CE1 4.02Å; K16-Y20 HydrophobicContact CG-CE2 4.36Å; K16-Y20 WeakPolarHBondContact O-CD1 3.31Å; K16-Y20 PolarHBondContact O-N 3.3Å; K16-E45 WeakPolarHBondContact CE-OE1 3.5Å; K16-E45 IonicContact NZ-OE1 2.55Å; K16-E45 PolarHBondContact NZ-OE1 2.93Å; K16-E45 IonicContact NZ-OE2 2.78Å; K16-E45 PolarHBondContact NZ-OE2 2.89Å; K16-P155 HydrophobicContact CD-CB 4.18Å; K16-P155 HydrophobicContact CD-CG 3.96Å; K16-P155 HydrophobicContact CG-CB 4.33Å
17V98.6Very high97.4Very high0 Ų064.5 Ų64.50%033%0.331CS..Hα-helixtrans-65.4-36.7175.2173.60000110.7V13 A14 R19 Y20 R21 P155 F159 F175V13-V17 HydrophobicContact CG1-CG2 4.24Å; V13-V17 WeakPolarHBondContact O-CG2 3.43Å; V13-V17 PolarHBondContact O-N 3.38Å; A14-V17 PolarHBondContact O-N 3.04Å; V17-R19 PolarHBondContact O-N 2.85Å; V17-Y20 HydrophobicContact CG2-CD2 4.42Å; V17-Y20 WeakPolarHBondContact O-CB 3.49Å; V17-Y20 PolarHBondContact O-N 3.18Å; V17-Y20 VanDerWaalsContact O-N 3.16Å; V17-R21 PolarHBondContact O-N 3.42Å; V17-P155 HydrophobicContact CG2-CB 4.05Å; V17-F159 HydrophobicContact CG1-CE2 3.53Å; V17-F159 HydrophobicContact CG1-CZ 3.88Å; V17-F175 HydrophobicContact CG1-CD2 4.02Å; V17-F175 HydrophobicContact CG1-CE2 4.45Å
18L98.6Very high97.4Very high34 Ų3468 Ų6818%0.17834%0.338CS..Hα-helixtrans-63.3-38.4171-176.663.3000112.6A14 K16 Y20 R21 R22 Y125 F159A14-L18 VanDerWaalsContact O-CB 3.22Å; A14-L18 WeakPolarHBondContact O-CB 3.48Å; A14-L18 PolarHBondContact O-N 3.4Å; K16-L18 VanDerWaalsContact C-N 3.31Å; K16-L18 PolarHBondContact O-N 3.47Å; L18-Y20 VanDerWaalsContact C-N 3.34Å; L18-R21 PolarHBondContact O-N 2.99Å; L18-R22 WeakPolarHBondContact O-CG 3.29Å; L18-R22 PolarHBondContact O-N 3.36Å; L18-R22 VanDerWaalsContact O-N 3.13Å; L18-Y125 HydrophobicContact CD1-CE1 4.32Å; L18-Y125 HydrophobicContact CD2-CE1 4.34Å; L18-F159 HydrophobicContact CB-CZ 4.38Å; L18-F159 HydrophobicContact CD1-CE1 4.04Å; L18-F159 HydrophobicContact CD1-CZ 4.25Å
19R98.3Very high97.4Very high154 Ų15467.3 Ų67.358%0.58134%0.337SS*.Hα-helixtrans-61.7-41.8171.3-76.1-177.2-71.2174.9-3.4111.4E15 K16 V17 R21 R22 D23E15-R19 WeakPolarHBondContact O-CG 3.14Å; E15-R19 PolarHBondContact O-N 3.2Å; K16-R19 WeakPolarHBondContact O-CB 3.4Å; K16-R19 PolarHBondContact O-N 2.66Å; K16-R19 VanDerWaalsContact O-N 3.15Å; V17-R19 PolarHBondContact O-N 2.85Å; R19-R21 VanDerWaalsContact C-N 3.27Å; R19-R21 PolarHBondContact O-N 3.33Å; R19-R22 PolarHBondContact O-N 3.5Å; R19-D23 VanDerWaalsContact O-CB 3.25Å; R19-D23 WeakPolarHBondContact O-CB 3.32Å; R19-D23 PolarHBondContact O-N 2.79Å
20Y98.4Very high97.3Very high13 Ų1366.6 Ų66.65%0.05134%0.337CS..Hα-helixtrans-60.3-37.8175.3-56.1-23.1000112.6K16 V17 L18 R41 L50 P155 F175 H177K16-Y20 VanDerWaalsContact CE-OH 3.32Å; K16-Y20 WeakPolarHBondContact CE-OH 3.06Å; K16-Y20 HydrophobicContact CG-CE1 4.02Å; K16-Y20 HydrophobicContact CG-CE2 4.36Å; K16-Y20 WeakPolarHBondContact O-CD1 3.31Å; K16-Y20 PolarHBondContact O-N 3.3Å; V17-Y20 HydrophobicContact CG2-CD2 4.42Å; V17-Y20 WeakPolarHBondContact O-CB 3.49Å; V17-Y20 PolarHBondContact O-N 3.18Å; V17-Y20 VanDerWaalsContact O-N 3.16Å; L18-Y20 VanDerWaalsContact C-N 3.34Å; Y20-R41 VanDerWaalsContact CD1-NH2 3.27Å; Y20-L50 HydrophobicContact CD1-CD2 3.96Å; Y20-L50 HydrophobicContact CD2-CD1 4.34Å; Y20-L50 HydrophobicContact CD2-CD2 3.74Å; Y20-L50 HydrophobicContact CE1-CD2 4.02Å; Y20-L50 HydrophobicContact CE2-CD1 4.34Å; Y20-L50 HydrophobicContact CE2-CD2 3.83Å; Y20-L50 HydrophobicContact CG-CD2 3.81Å; Y20-P155 HydrophobicContact CE2-CB 4.23Å; Y20-P155 WeakPolarHBondContact CE2-O 3.43Å; Y20-F175 HydrophobicContact CD2-CD1 4.45Å; Y20-H177 PolarHBondContact OH-CE1 3.23Å
21R98Very high97.1Very high64 Ų6471.3 Ų71.324%0.24235%0.354CS..Hα-helixtrans-65.7-35.2176.717657.4-172.391.7-3.4113.7V17 L18 R19 F159 E161 F175V17-R21 PolarHBondContact O-N 3.42Å; L18-R21 PolarHBondContact O-N 2.99Å; R19-R21 VanDerWaalsContact C-N 3.27Å; R19-R21 PolarHBondContact O-N 3.33Å; R21-F159 HydrophobicContact CB-CD2 4.08Å; R21-F159 HydrophobicContact CB-CE2 3.65Å; R21-F159 HydrophobicContact CB-CZ 3.98Å; R21-F159 HydrophobicContact CG-CD2 4.15Å; R21-F159 HydrophobicContact CG-CE2 4.17Å; R21-F159 HydrophobicContact CG-CG 4.39Å; R21-F159 HydrophobicContact CG-CZ 4.44Å; R21-E161 IonicContact CZ-OE1 2.57Å; R21-E161 IonicContact CZ-OE2 3.75Å; R21-E161 IonicContact NE-OE1 3.62Å; R21-E161 PolarHBondContact NE-OE1 3.47Å; R21-E161 IonicContact NE-OE2 3.6Å; R21-E161 IonicContact NH2-OE1 2.92Å; R21-E161 PolarHBondContact NH2-OE1 2.88Å; R21-E161 IonicContact NH2-OE2 3.71Å; R21-E161 PolarHBondContact NH2-OE2 2.92Å; R21-F175 HydrophobicContact CB-CE2 4.2Å; R21-F175 HydrophobicContact CB-CZ 4.15Å
22R97.3Very high96.8Very high183 Ų18375.2 Ų75.269%0.69137%0.373SS*.Hα-helixtrans-87.8-27-177.8-68.9174.3176.6176-1.9113.4L18 R19 I24L18-R22 WeakPolarHBondContact O-CG 3.29Å; L18-R22 PolarHBondContact O-N 3.36Å; L18-R22 VanDerWaalsContact O-N 3.13Å; R19-R22 PolarHBondContact O-N 3.5Å; R22-I24 PolarHBondContact O-N 2.77Å
23D95.8Very high96.4Very high61 Ų6174.7 Ų74.733%0.32637%0.372SS..  trans-74.3124.4-176.2-168.3-3.1000111.4R19 A25 W27 R41R19-D23 VanDerWaalsContact O-CB 3.25Å; R19-D23 WeakPolarHBondContact O-CB 3.32Å; R19-D23 PolarHBondContact O-N 2.79Å; D23-A25 WeakPolarHBondContact OD1-CB 3.38Å; D23-A25 PolarHBondContact OD1-N 3.29Å; D23-W27 PolarHBondContact O-NE1 3.39Å; D23-R41 IonicContact OD2-CZ 3.24Å; D23-R41 IonicContact OD2-NH1 2.66Å; D23-R41 PolarHBondContact OD2-NH1 3.37Å; D23-R41 IonicContact OD2-NH2 3.35Å
24I92Very high95.9Very high161 Ų16181.9 Ų81.983%0.82641%0.411SS*.  trans-98.7-9.3178.161.4172.5000112.4R22R22-I24 PolarHBondContact O-N 2.77Å
25A93.7Very high95.5Very high58 Ų5884.8 Ų84.848%0.47944%0.44SS..SBendtrans-92147.2-172.500000113.1D23 W27 R41D23-A25 WeakPolarHBondContact OD1-CB 3.38Å; D23-A25 PolarHBondContact OD1-N 3.29Å; A25-W27 PolarHBondContact O-N 3.49Å; A25-R41 PolarHBondContact O-NH1 3.39Å
26G93.9Very high95.4Very high55 Ų5580.2 Ų80.257%0.56742%0.42SS*.SBendtrans77.7-4.7171.100000115.7R41G26-R41 VanDerWaalsContact O-CB 3.31Å; G26-R41 WeakPolarHBondContact O-CB 3.42Å
27W97.7Very high95.3Very high44 Ų4479.1 Ų79.117%0.16742%0.418CS..  trans-74.2125175.4-62.3107.8000111.6D23 A25 R41 L50 R52 F175D23-W27 PolarHBondContact O-NE1 3.39Å; A25-W27 PolarHBondContact O-N 3.49Å; W27-R41 HydrophobicContact CD2-CG 4.44Å; W27-R41 HydrophobicContact CE3-CB 4.27Å; W27-R41 HydrophobicContact CE3-CG 4.01Å; W27-R41 HydrophobicContact CH2-CG 4.27Å; W27-R41 HydrophobicContact CZ3-CG 3.91Å; W27-L50 HydrophobicContact CH2-CD2 3.51Å; W27-L50 HydrophobicContact CH2-CG 3.68Å; W27-L50 HydrophobicContact CZ2-CD2 4.26Å; W27-L50 HydrophobicContact CZ3-CD2 4.26Å; W27-L50 HydrophobicContact CZ3-CG 4.03Å; W27-R52 HydrophobicContact CD2-CB 4.48Å; W27-R52 HydrophobicContact CE3-CB 3.86Å; W27-R52 HydrophobicContact CH2-CB 3.7Å; W27-R52 HydrophobicContact CZ2-CB 4.34Å; W27-R52 HydrophobicContact CZ3-CB 3.44Å; W27-R52 VanDerWaalsContact CZ3-CB 3.44Å; W27-F175 HydrophobicContact CH2-CD1 4.13Å; W27-F175 AromaticContact CH2-CE1 3.92Å; W27-F175 HydrophobicContact CH2-CE1 3.92Å; W27-F175 HydrophobicContact CZ2-CE1 4.05Å
28K97.9Very high95.3Very high121 Ų12179.1 Ų79.153%0.52642%0.418SS..EExtended strand (participates in β ladder)trans-107.9120.4174.4-62.5178.4-176.4177.30109.1C30 S39 W40K28-C30 PolarHBondContact O-N 3.12Å; K28-S39 CarbonylContact O-C 3.56Å; K28-S39 WeakPolarHBondContact O-CA 3.44Å; K28-S39 WeakPolarHBondContact O-CB 3.26Å; K28-W40 HydrophobicContact CD-CH2 4.22Å; K28-W40 HydrophobicContact CD-CZ2 3.87Å; K28-W40 PolarHBondContact N-O 3.38Å; K28-W40 VanDerWaalsContact O-CD1 3.26Å; K28-W40 PolarHBondContact O-N 3.48Å
29I97.2Very high95.3Very high115 Ų11577.9 Ų77.959%0.5941%0.412SS*.EExtended strand (participates in β ladder)trans-63.9133.6175.7-62.1173.5000108.8E32I29-E32 HydrophobicContact CG2-CB 4.44Å
30C95.3Very high95.3Very high48 Ų4873.7 Ų73.732%0.32440%0.396SS..EExtended strand (participates in β ladder)trans-121.3-24.4175.861.80000113.5K28 V38K28-C30 PolarHBondContact O-N 3.12Å; C30-V38 PolarHBondContact N-O 2.78Å; C30-V38 PolarHBondContact SG-O 2.91Å
31R93.6Very high95.3Very high105 Ų10575 Ų7540%0.39640%0.401SS..EExtended strand (participates in β ladder)trans-147.9144.6170.9-68-170.5173.2-100.1-12.2109.9V38 P194 T198R31-V38 HydrophobicContact CB-CB 4.25Å; R31-V38 HydrophobicContact CB-CG2 4.49Å; R31-V38 PolarHBondContact N-O 3.3Å; R31-V38 PolarHBondContact O-N 3.36Å; R31-P194 HydrophobicContact CG-CB 4.18Å; R31-T198 HydrophobicContact CB-CG2 4.15Å
32E93.8Very high95.3Very high148 Ų14875.8 Ų75.869%0.69242%0.415SS*.EExtended strand (participates in β ladder)trans-148.3137.9171.4-171.1168.9-108.500108.8I29 V36I29-E32 HydrophobicContact CG2-CB 4.44Å; E32-V36 WeakPolarHBondContact CA-O 3.36Å
33G89.6Confident95.3Very high40 Ų4068 Ų6841%0.41239%0.388SS..EExtended strand (participates in β ladder)trans156.1160.3178.700000112.6G35 V36G33-G35 PolarHBondContact O-N 3.06Å; G33-G35 VanDerWaalsContact O-N 3.13Å; G33-V36 PolarHBondContact N-O 2.84Å; G33-V36 PolarHBondContact O-N 2.89Å
34N88Confident95.4Very high161 Ų16171.1 Ų71.186%0.86141%0.409SS*.THydrogen-bonded Turntrans51.534.5179.5-58.6-31000114.1V36N34-V36 VanDerWaalsContact C-N 3.33Å; N34-V36 PolarHBondContact O-N 3.06Å
35G90.3Very high95.7Very high61 Ų6166.4 Ų66.463%0.62938%0.384SS*.THydrogen-bonded Turntrans77.412.9179.100000115.3G33 G55G33-G35 PolarHBondContact O-N 3.06Å; G33-G35 VanDerWaalsContact O-N 3.13Å; G35-G55 VanDerWaalsContact O-CA 3.26Å; G35-G55 WeakPolarHBondContact O-CA 3.16Å
36V96Very high95.9Very high12 Ų1265.1 Ų65.17%0.07337%0.367CS..EExtended strand (participates in β ladder)trans-124132.1177.9-175.10000109.8E32 G33 N34 V38 E54 Y201E32-V36 WeakPolarHBondContact CA-O 3.36Å; G33-V36 PolarHBondContact N-O 2.84Å; G33-V36 PolarHBondContact O-N 2.89Å; N34-V36 VanDerWaalsContact C-N 3.33Å; N34-V36 PolarHBondContact O-N 3.06Å; V36-V38 HydrophobicContact CG1-CG2 4.15Å; V36-E54 CarbonylContact C-O 3.53Å; V36-E54 WeakPolarHBondContact CA-O 3.16Å; V36-Y201 HydrophobicContact CB-CG 4.44Å; V36-Y201 HydrophobicContact CG1-CD1 4.17Å; V36-Y201 HydrophobicContact CG1-CD2 3.73Å; V36-Y201 HydrophobicContact CG1-CE2 4.19Å; V36-Y201 HydrophobicContact CG1-CG 3.75Å; V36-Y201 HydrophobicContact CG2-CD1 3.87Å; V36-Y201 HydrophobicContact CG2-CG 3.73Å
37S97.9Very high96Very high23 Ų2368.6 Ų68.616%0.16138%0.38CS..EExtended strand (participates in β ladder)trans-108.4137.2167.469.40000109.7G53 E54S37-G53 CarbonylContact O-C 3.48Å; S37-G53 WeakPolarHBondContact O-CA 3.28Å; S37-E54 PolarHBondContact N-O 3.37Å; S37-E54 PolarHBondContact O-N 3.03Å
38V98.4Very high95.9Very high0 Ų067 Ų670%038%0.377CS..EExtended strand (participates in β ladder)trans-125.5121.2175-171.80000109C30 R31 V36 R52 M197 T198C30-V38 PolarHBondContact N-O 2.78Å; C30-V38 PolarHBondContact SG-O 2.91Å; R31-V38 HydrophobicContact CB-CB 4.25Å; R31-V38 HydrophobicContact CB-CG2 4.49Å; R31-V38 PolarHBondContact N-O 3.3Å; R31-V38 PolarHBondContact O-N 3.36Å; V36-V38 HydrophobicContact CG1-CG2 4.15Å; V38-R52 CarbonylContact C-O 3.51Å; V38-R52 VanDerWaalsContact CA-O 3.31Å; V38-R52 WeakPolarHBondContact CA-O 3.44Å; V38-M197 HydrophobicContact CG1-CB 4Å; V38-M197 HydrophobicContact CG1-CG 4Å; V38-M197 HydrophobicContact CG2-CB 4.03Å; V38-M197 HydrophobicContact CG2-CG 3.8Å; V38-T198 HydrophobicContact CG2-CG2 3.86Å
39S98.5Very high95.9Very high8 Ų862.3 Ų62.36%0.05636%0.358CS..EExtended strand (participates in β ladder)trans-124.1164.8175.762.90000111.1K28 Y51 R52K28-S39 CarbonylContact O-C 3.56Å; K28-S39 WeakPolarHBondContact O-CA 3.44Å; K28-S39 WeakPolarHBondContact O-CB 3.26Å; S39-Y51 CarbonylContact O-C 3.57Å; S39-Y51 WeakPolarHBondContact O-CA 3.47Å; S39-R52 PolarHBondContact N-O 3.49Å; S39-R52 PolarHBondContact O-N 3.46Å
40W98.5Very high96Very high67 Ų6757 Ų5725%0.25433%0.33SS..EExtended strand (participates in β ladder)trans-143160.3177.668.6-82.4000111.2K28 P42 N49 L50 Y51K28-W40 HydrophobicContact CD-CH2 4.22Å; K28-W40 HydrophobicContact CD-CZ2 3.87Å; K28-W40 PolarHBondContact N-O 3.38Å; K28-W40 VanDerWaalsContact O-CD1 3.26Å; K28-W40 PolarHBondContact O-N 3.48Å; W40-P42 HydrophobicContact CZ3-CG 4.19Å; W40-N49 HydrophobicContact CE3-CB 4.2Å; W40-N49 WeakPolarHBondContact CZ3-OD1 3.44Å; W40-L50 CarbonylContact C-O 3.55Å; W40-L50 WeakPolarHBondContact CA-O 3.49Å; W40-Y51 HydrophobicContact CB-CD1 3.6Å; W40-Y51 HydrophobicContact CB-CE1 3.71Å; W40-Y51 HydrophobicContact CB-CG 4.3Å; W40-Y51 HydrophobicContact CG-CE1 4.27Å
41R98.1Very high96.2Very high39 Ų3955 Ų5515%0.14732%0.316CS..EExtended strand (participates in β ladder)trans-146.8157.316668-175.1-175.2174.71.5110.3Y20 D23 A25 G26 W27 S43 N49 L50Y20-R41 VanDerWaalsContact CD1-NH2 3.27Å; D23-R41 IonicContact OD2-CZ 3.24Å; D23-R41 IonicContact OD2-NH1 2.66Å; D23-R41 PolarHBondContact OD2-NH1 3.37Å; D23-R41 IonicContact OD2-NH2 3.35Å; A25-R41 PolarHBondContact O-NH1 3.39Å; G26-R41 VanDerWaalsContact O-CB 3.31Å; G26-R41 WeakPolarHBondContact O-CB 3.42Å; W27-R41 HydrophobicContact CD2-CG 4.44Å; W27-R41 HydrophobicContact CE3-CB 4.27Å; W27-R41 HydrophobicContact CE3-CG 4.01Å; W27-R41 HydrophobicContact CH2-CG 4.27Å; W27-R41 HydrophobicContact CZ3-CG 3.91Å; R41-S43 PolarHBondContact O-N 2.91Å; R41-N49 WeakPolarHBondContact O-CA 3.41Å; R41-L50 HydrophobicContact CG-CB 4.35Å; R41-L50 PolarHBondContact N-O 3.24Å; R41-L50 PolarHBondContact O-N 3.43Å
42P97.9Very high96.4Very high82 Ų8251.2 Ų51.253%0.53230%0.302SS..EExtended strand (participates in β ladder)trans-54.8134.5173.5-2535000111.1W40W40-P42 HydrophobicContact CZ3-CG 4.19Å
43S97.9Very high96.6Very high18 Ų1844.2 Ų44.213%0.12627%0.269CS..  trans-71.1149.9172.4179.40000110.4R41 E45 F46 G48 H177R41-S43 PolarHBondContact O-N 2.91Å; S43-E45 PolarHBondContact OG-N 3.48Å; S43-F46 WeakPolarHBondContact CB-O 3.42Å; S43-F46 VanDerWaalsContact OG-CD1 3.31Å; S43-F46 WeakPolarHBondContact OG-CD1 3.31Å; S43-F46 PolarHBondContact OG-N 2.85Å; S43-G48 WeakPolarHBondContact CB-O 3.38Å; S43-G48 PolarHBondContact N-O 3.21Å; S43-H177 VanDerWaalsContact CB-NE2 3.29Å; S43-H177 WeakPolarHBondContact CB-NE2 3.44Å; S43-H177 PolarHBondContact OG-NE2 3.35Å
44V97.6Very high97.1Very high127 Ų12744.5 Ų44.577%0.7726%0.26SS*.SBendtrans-102.30.5167.1-58.20000112.2
45E98.1Very high97.5Very high63 Ų6337.1 Ų37.129%0.29422%0.221SC..SBendtrans-97.6-30.2-178.5-47.6-62.112500112.6K16 S43 H154 H177K16-E45 WeakPolarHBondContact CE-OE1 3.5Å; K16-E45 IonicContact NZ-OE1 2.55Å; K16-E45 PolarHBondContact NZ-OE1 2.93Å; K16-E45 IonicContact NZ-OE2 2.78Å; K16-E45 PolarHBondContact NZ-OE2 2.89Å; S43-E45 PolarHBondContact OG-N 3.48Å; E45-H154 HydrophobicContact CB-CB 3.84Å; E45-H154 VanDerWaalsContact CB-ND1 3.28Å; E45-H154 WeakPolarHBondContact CB-ND1 3.41Å; E45-H154 HydrophobicContact CG-CB 3.95Å; E45-H177 WeakPolarHBondContact CG-CE1 3.33Å
46F97.6Very high97.9Very high31 Ų3137.1 Ų37.114%0.13621%0.207CC..SBendtrans-154.2164.9179.775.4-68.9000111.1S43 G48 H154 H177 D179S43-F46 WeakPolarHBondContact CB-O 3.42Å; S43-F46 VanDerWaalsContact OG-CD1 3.31Å; S43-F46 WeakPolarHBondContact OG-CD1 3.31Å; S43-F46 PolarHBondContact OG-N 2.85Å; F46-G48 PolarHBondContact O-N 3.45Å; F46-H154 WeakPolarHBondContact CB-NE2 3.4Å; F46-H154 AromaticContact CD1-CD2 3.29Å; F46-H154 WeakPolarHBondContact CD1-CD2 3.2Å; F46-H154 AromaticContact CD1-NE2 3.64Å; F46-H154 AromaticContact CE1-CD2 3.81Å; F46-H154 AromaticContact CG-CD2 3.77Å; F46-H154 AromaticContact CG-NE2 3.64Å; F46-H177 AromaticContact CE1-CD2 3.6Å; F46-H177 AromaticContact CE1-NE2 3.96Å; F46-D179 HydrophobicContact CD2-CB 3.71Å; F46-D179 HydrophobicContact CE2-CB 3.78Å; F46-D179 HydrophobicContact CG-CB 4.27Å; F46-D179 HydrophobicContact CZ-CB 4.41Å
47P95.8Very high98Very high127 Ų12736.6 Ų36.683%0.82520%0.203SC*.SBendtrans-68.268.9173.2-19.734.3000113.1
48G96.6Very high98Very high12 Ų1242.1 Ų42.112%0.12422%0.222CC..SBendtrans-164.5-153.9179.700000112.2S43 F46S43-G48 WeakPolarHBondContact CB-O 3.38Å; S43-G48 PolarHBondContact N-O 3.21Å; F46-G48 PolarHBondContact O-N 3.45Å
49N98.1Very high97.9Very high22 Ų2242.1 Ų42.112%0.11822%0.222CC..EExtended strand (participates in β ladder)trans-122.9146.3-172.5-64.8-49.2000111.7W40 R41 Y51 D190W40-N49 HydrophobicContact CE3-CB 4.2Å; W40-N49 WeakPolarHBondContact CZ3-OD1 3.44Å; R41-N49 WeakPolarHBondContact O-CA 3.41Å; N49-Y51 HydrophobicContact CB-CD2 4.24Å; N49-Y51 HydrophobicContact CB-CE2 3.54Å; N49-Y51 PolarHBondContact ND2-OH 3.16Å; N49-D190 PolarHBondContact ND2-OD1 2.86Å
50L98.6Very high97.9Very high2 Ų243.6 Ų43.61%0.0123%0.23CC..EExtended strand (participates in β ladder)trans-94.3123.7162.117162.7000108Y20 W27 W40 R41 F175 H177Y20-L50 HydrophobicContact CD1-CD2 3.96Å; Y20-L50 HydrophobicContact CD2-CD1 4.34Å; Y20-L50 HydrophobicContact CD2-CD2 3.74Å; Y20-L50 HydrophobicContact CE1-CD2 4.02Å; Y20-L50 HydrophobicContact CE2-CD1 4.34Å; Y20-L50 HydrophobicContact CE2-CD2 3.83Å; Y20-L50 HydrophobicContact CG-CD2 3.81Å; W27-L50 HydrophobicContact CH2-CD2 3.51Å; W27-L50 HydrophobicContact CH2-CG 3.68Å; W27-L50 HydrophobicContact CZ2-CD2 4.26Å; W27-L50 HydrophobicContact CZ3-CD2 4.26Å; W27-L50 HydrophobicContact CZ3-CG 4.03Å; W40-L50 CarbonylContact C-O 3.55Å; W40-L50 WeakPolarHBondContact CA-O 3.49Å; R41-L50 HydrophobicContact CG-CB 4.35Å; R41-L50 PolarHBondContact N-O 3.24Å; R41-L50 PolarHBondContact O-N 3.43Å; L50-F175 HydrophobicContact CD1-CB 4.16Å; L50-F175 HydrophobicContact CD1-CD1 4.24Å; L50-H177 HydrophobicContact CD1-CB 3.67Å
51Y98.6Very high97.8Very high6 Ų641 Ų412%0.02422%0.222CC..EExtended strand (participates in β ladder)trans-104.1138.2176.4-63.3-91.9000110.3S39 W40 N49 F175 F176 F193 P194S39-Y51 CarbonylContact O-C 3.57Å; S39-Y51 WeakPolarHBondContact O-CA 3.47Å; W40-Y51 HydrophobicContact CB-CD1 3.6Å; W40-Y51 HydrophobicContact CB-CE1 3.71Å; W40-Y51 HydrophobicContact CB-CG 4.3Å; W40-Y51 HydrophobicContact CG-CE1 4.27Å; N49-Y51 HydrophobicContact CB-CD2 4.24Å; N49-Y51 HydrophobicContact CB-CE2 3.54Å; N49-Y51 PolarHBondContact ND2-OH 3.16Å; Y51-F175 CarbonylContact O-C 3.56Å; Y51-F175 VanDerWaalsContact O-CA 3.27Å; Y51-F175 WeakPolarHBondContact O-CA 3.4Å; Y51-F176 PolarHBondContact N-O 2.85Å; Y51-F176 PolarHBondContact O-N 2.88Å; Y51-F193 HydrophobicContact CD1-CB 4.01Å; Y51-F193 HydrophobicContact CD2-CB 3.61Å; Y51-F193 HydrophobicContact CD2-CD1 4.49Å; Y51-F193 HydrophobicContact CD2-CD2 4.06Å; Y51-F193 AromaticContact CD2-CG 3.84Å; Y51-F193 HydrophobicContact CD2-CG 3.84Å; Y51-F193 HydrophobicContact CE1-CB 3.82Å; Y51-F193 HydrophobicContact CE2-CB 3.39Å; Y51-F193 AromaticContact CE2-CD2 3.38Å; Y51-F193 HydrophobicContact CE2-CD2 3.38Å; Y51-F193 HydrophobicContact CE2-CE2 4.26Å; Y51-F193 AromaticContact CE2-CG 3.56Å; Y51-F193 HydrophobicContact CE2-CG 3.56Å; Y51-F193 HydrophobicContact CG-CB 3.92Å; Y51-F193 AromaticContact CZ-CD2 3.96Å; Y51-P194 HydrophobicContact CD1-CG 4.35Å; Y51-P194 HydrophobicContact CE1-CG 3.84Å
52R98.8Very high97.7Very high27 Ų2744.1 Ų44.110%0.10224%0.238CC..EExtended strand (participates in β ladder)trans-117.6123.6175.1176.8-177.6-174.3-81.61109W27 V38 S39 E54 V173 T174 F175W27-R52 HydrophobicContact CD2-CB 4.48Å; W27-R52 HydrophobicContact CE3-CB 3.86Å; W27-R52 HydrophobicContact CH2-CB 3.7Å; W27-R52 HydrophobicContact CZ2-CB 4.34Å; W27-R52 HydrophobicContact CZ3-CB 3.44Å; W27-R52 VanDerWaalsContact CZ3-CB 3.44Å; V38-R52 CarbonylContact C-O 3.51Å; V38-R52 VanDerWaalsContact CA-O 3.31Å; V38-R52 WeakPolarHBondContact CA-O 3.44Å; S39-R52 PolarHBondContact N-O 3.49Å; S39-R52 PolarHBondContact O-N 3.46Å; R52-E54 IonicContact CZ-OE2 3.6Å; R52-E54 IonicContact NH1-OE2 2.8Å; R52-E54 PolarHBondContact NH1-OE2 3.13Å; R52-E54 IonicContact NH2-OE1 2.84Å; R52-E54 PolarHBondContact NH2-OE1 2.88Å; R52-E54 IonicContact NH2-OE2 3.73Å; R52-E54 PolarHBondContact NH2-OE2 3.01Å; R52-V173 HydrophobicContact CG-CG1 4.23Å; R52-T174 CarbonylContact C-O 3.5Å; R52-T174 WeakPolarHBondContact CA-O 3.23Å; R52-F175 HydrophobicContact CB-CD1 4.12Å; R52-F175 HydrophobicContact CB-CE1 3.92Å; R52-F175 HydrophobicContact CG-CD1 4.29Å; R52-F175 HydrophobicContact CG-CE1 3.71Å; R52-F175 HydrophobicContact CG-CZ 4.29Å
53G98.5Very high97.7Very high0 Ų042.2 Ų42.20%022%0.222CC..EExtended strand (participates in β ladder)trans-102.7142.516500000109.9S37 V173 T174 Y201S37-G53 CarbonylContact O-C 3.48Å; S37-G53 WeakPolarHBondContact O-CA 3.28Å; G53-V173 CarbonylContact O-C 3.6Å; G53-V173 WeakPolarHBondContact O-CA 3.3Å; G53-T174 PolarHBondContact N-O 3.21Å; G53-T174 PolarHBondContact O-N 2.84Å; G53-Y201 PolarHBondContact O-OH 2.77Å
54E98.5Very high97.8Very high47 Ų4741.3 Ų41.322%0.2222%0.216CC..EExtended strand (participates in β ladder)trans-142.8136.4171.1176.5166.5-12800110.1V36 S37 R52 L172 V173 Y201V36-E54 CarbonylContact C-O 3.53Å; V36-E54 WeakPolarHBondContact CA-O 3.16Å; S37-E54 PolarHBondContact N-O 3.37Å; S37-E54 PolarHBondContact O-N 3.03Å; R52-E54 IonicContact CZ-OE2 3.6Å; R52-E54 IonicContact NH1-OE2 2.8Å; R52-E54 PolarHBondContact NH1-OE2 3.13Å; R52-E54 IonicContact NH2-OE1 2.84Å; R52-E54 PolarHBondContact NH2-OE1 2.88Å; R52-E54 IonicContact NH2-OE2 3.73Å; R52-E54 PolarHBondContact NH2-OE2 3.01Å; E54-L172 WeakPolarHBondContact CA-O 3.48Å; E54-V173 HydrophobicContact CB-CG2 4.4Å; E54-V173 HydrophobicContact CG-CG2 4.04Å; E54-Y201 PolarHBondContact N-OH 3.48Å
55G98.1Very high97.8Very high5 Ų536 Ų365%0.05218%0.182CC..EExtended strand (participates in β ladder)trans-174.8156.2177.700000112.4G35 L172G35-G55 VanDerWaalsContact O-CA 3.26Å; G35-G55 WeakPolarHBondContact O-CA 3.16Å; G55-L172 PolarHBondContact N-O 3.1Å; G55-L172 VanDerWaalsContact N-O 3.13Å; G55-L172 PolarHBondContact O-N 3.27Å
56I98.3Very high97.8Very high62 Ų6235.9 Ų35.932%0.31818%0.183SC..EExtended strand (participates in β ladder)trans-83.9127.6176.2-60.2175.1000109.1L163 K169 T170I56-L163 HydrophobicContact CD1-CD2 4.02Å; I56-L163 HydrophobicContact CG1-CD2 4.41Å; I56-K169 HydrophobicContact CG2-CB 3.98Å; I56-K169 HydrophobicContact CG2-CD 4.06Å; I56-K169 HydrophobicContact CG2-CG 4.31Å; I56-T170 WeakPolarHBondContact CA-O 3.36Å
57V98.1Very high97.8Very high0 Ų034.4 Ų34.40%018%0.177CC..EExtended strand (participates in β ladder)trans-106.4131.1173.4-174.80000108.5G59 V64 K169 T170 L172 L204 Q205 V208V57-G59 PolarHBondContact O-N 2.87Å; V57-G59 VanDerWaalsContact O-N 3.09Å; V57-V64 HydrophobicContact CB-CG2 3.97Å; V57-V64 HydrophobicContact CG1-CG1 4.49Å; V57-V64 HydrophobicContact CG1-CG2 3.65Å; V57-K169 WeakPolarHBondContact O-CA 3.42Å; V57-T170 PolarHBondContact N-O 2.95Å; V57-T170 PolarHBondContact O-N 2.8Å; V57-L172 HydrophobicContact CG2-CB 3.89Å; V57-L172 HydrophobicContact CG2-CD2 4.07Å; V57-L204 HydrophobicContact CG2-CD2 4.18Å; V57-Q205 HydrophobicContact CG1-CG 4.49Å; V57-V208 HydrophobicContact CG1-CB 4.26Å; V57-V208 HydrophobicContact CG1-CG1 4.31Å; V57-V208 HydrophobicContact CG1-CG2 3.94Å
58Y97Very high97.9Very high140 Ų14028.8 Ų28.855%0.54914%0.14SC..SBendtrans-85.578.6-177-65.1-97.9000110.4T168 K169 V208Y58-T168 CarbonylContact C-O 3.44Å; Y58-K169 HydrophobicContact CD1-CD 4.29Å; Y58-K169 HydrophobicContact CD1-CG 4.07Å; Y58-K169 HydrophobicContact CE1-CD 4.22Å; Y58-V208 WeakPolarHBondContact O-CG1 3.33Å
59G97.4Very high97.8Very high0 Ų031.6 Ų31.60%015%0.149CC..SBendtrans-170.7165.1173.600000109.7V57 E63 T168 K169 T170V57-G59 PolarHBondContact O-N 2.87Å; V57-G59 VanDerWaalsContact O-N 3.09Å; G59-E63 WeakPolarHBondContact CA-OE2 3.46Å; G59-T168 CarbonylContact C-O 3.6Å; G59-T168 PolarHBondContact N-O 2.83Å; G59-T168 CarbonylContact O-C 3.44Å; G59-K169 CarbonylContact O-C 3.57Å; G59-K169 WeakPolarHBondContact O-CA 3.25Å; G59-K169 PolarHBondContact O-N 3.11Å; G59-T170 PolarHBondContact O-N 3.04Å; G59-T170 PolarHBondContact O-OG1 3.38Å
60T97.3Very high97.6Very high39 Ų3931.9 Ų31.924%0.23915%0.152CC..  trans-66157.6176.984.50000110.5E62 E63 V64 T170T60-E62 WeakPolarHBondContact CB-OE2 3.31Å; T60-E62 PolarHBondContact O-N 2.91Å; T60-E62 VanDerWaalsContact O-N 3.12Å; T60-E62 PolarHBondContact OG1-N 3.07Å; T60-E62 PolarHBondContact OG1-OE2 2.77Å; T60-E63 PolarHBondContact N-OE2 2.98Å; T60-E63 PolarHBondContact O-N 3.02Å; T60-E63 VanDerWaalsContact O-N 3.11Å; T60-E63 PolarHBondContact OG1-N 2.91Å; T60-V64 WeakPolarHBondContact O-CG2 3.39Å; T60-V64 PolarHBondContact O-N 2.98Å; T60-T170 PolarHBondContact O-OG1 2.91Å
61P97.2Very high97.2Very high11 Ų1133.1 Ų33.17%0.07116%0.163CC..Hα-helixtrans-53.4-33.9176.7-29.136.7000113.2W65 P162 T170P61-W65 WeakPolarHBondContact O-CB 3.35Å; P61-W65 PolarHBondContact O-N 2.98Å; P61-P162 HydrophobicContact CG-CB 3.97Å; P61-T170 VanDerWaalsContact CA-OG1 3.26Å; P61-T170 WeakPolarHBondContact CA-OG1 3.16Å; P61-T170 HydrophobicContact CB-CG2 4.44Å
62E96.6Very high96.5Very high106 Ų10638.2 Ų38.250%0.49519%0.194SC..Hα-helixtrans-69.9-45.1177.4-61.870.2-152.400112.5T60 V64 W65 D66T60-E62 WeakPolarHBondContact CB-OE2 3.31Å; T60-E62 PolarHBondContact O-N 2.91Å; T60-E62 VanDerWaalsContact O-N 3.12Å; T60-E62 PolarHBondContact OG1-N 3.07Å; T60-E62 PolarHBondContact OG1-OE2 2.77Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 3.28Å; E62-W65 PolarHBondContact O-N 2.77Å; E62-D66 WeakPolarHBondContact O-CB 3.26Å; E62-D66 PolarHBondContact O-N 3.42Å
63E97.7Very high95.9Very high41 Ų4140.3 Ų40.319%0.19222%0.224CC..Hα-helixtrans-63-42.6177.2-67.9172.9150.700111.2G59 T60 D66 C67 F211 H212G59-E63 WeakPolarHBondContact CA-OE2 3.46Å; T60-E63 PolarHBondContact N-OE2 2.98Å; T60-E63 PolarHBondContact O-N 3.02Å; T60-E63 VanDerWaalsContact O-N 3.11Å; T60-E63 PolarHBondContact OG1-N 2.91Å; E63-D66 PolarHBondContact O-N 2.93Å; E63-C67 PolarHBondContact O-N 2.73Å; E63-C67 PolarHBondContact O-SG 2.78Å; E63-C67 VanDerWaalsContact O-SG 3.36Å; E63-F211 HydrophobicContact CB-CD2 3.94Å; E63-F211 HydrophobicContact CB-CE2 4.13Å; E63-F211 HydrophobicContact CG-CD2 4.21Å; E63-F211 HydrophobicContact CG-CG 4.49Å; E63-H212 VanDerWaalsContact CD-NE2 3.27Å; E63-H212 IonicContact OE1-CD2 3.5Å; E63-H212 PolarHBondContact OE1-CD2 2.78Å; E63-H212 IonicContact OE1-NE2 2.9Å; E63-H212 PolarHBondContact OE1-NE2 3.4Å; E63-H212 IonicContact OE2-CE1 2.71Å; E63-H212 IonicContact OE2-NE2 2.98Å; E63-H212 PolarHBondContact OE2-NE2 2.93Å
64V98.4Very high95.4Very high0 Ų041 Ų410%023%0.232CC..Hα-helixtrans-67.3-42.7176.1179.70000110.2V57 T60 E62 C67 V68 T170 L172 L204 V208V57-V64 HydrophobicContact CB-CG2 3.97Å; V57-V64 HydrophobicContact CG1-CG1 4.49Å; V57-V64 HydrophobicContact CG1-CG2 3.65Å; T60-V64 WeakPolarHBondContact O-CG2 3.39Å; T60-V64 PolarHBondContact O-N 2.98Å; E62-V64 VanDerWaalsContact C-N 3.34Å; E62-V64 PolarHBondContact O-N 3.28Å; V64-C67 WeakPolarHBondContact O-CB 3.35Å; V64-C67 PolarHBondContact O-N 3.13Å; V64-V68 PolarHBondContact O-N 2.85Å; V64-T170 HydrophobicContact CB-CG2 4.23Å; V64-T170 HydrophobicContact CG1-CG2 4.28Å; V64-T170 HydrophobicContact CG2-CG2 4.33Å; V64-L172 HydrophobicContact CG1-CD1 4.31Å; V64-L204 HydrophobicContact CG1-CD2 4.38Å; V64-V208 HydrophobicContact CG2-CG1 4.47Å; V64-V208 HydrophobicContact CG2-CG2 4.15Å
65W98.4Very high95.3Very high16 Ų1641 Ų416%0.06123%0.233CC..Hα-helixtrans-62-42.8176.3178.5-111.8000112.1P61 E62 C67 V68 K69 V122 I130P61-W65 WeakPolarHBondContact O-CB 3.35Å; P61-W65 PolarHBondContact O-N 2.98Å; E62-W65 PolarHBondContact O-N 2.77Å; W65-C67 PolarHBondContact O-N 2.94Å; W65-V68 HydrophobicContact CE3-CG2 3.78Å; W65-V68 HydrophobicContact CZ3-CG2 4.19Å; W65-V68 PolarHBondContact O-N 2.84Å; W65-K69 HydrophobicContact CD2-CB 4.01Å; W65-K69 VanDerWaalsContact CE2-CB 3.48Å; W65-K69 HydrophobicContact CG-CB 4.4Å; W65-K69 HydrophobicContact CH2-CB 4.35Å; W65-K69 HydrophobicContact CZ2-CB 3.66Å; W65-K69 VanDerWaalsContact O-CB 3.29Å; W65-K69 WeakPolarHBondContact O-CB 3.07Å; W65-K69 PolarHBondContact O-N 3.35Å; W65-V122 HydrophobicContact CH2-CB 4.42Å; W65-V122 HydrophobicContact CH2-CG1 3.84Å; W65-V122 HydrophobicContact CH2-CG2 3.92Å; W65-V122 HydrophobicContact CZ2-CB 4.2Å; W65-V122 HydrophobicContact CZ2-CG1 3.41Å; W65-V122 VanDerWaalsContact CZ2-CG1 3.41Å; W65-V122 HydrophobicContact CZ2-CG2 3.71Å; W65-I130 HydrophobicContact CB-CD1 4.11Å; W65-I130 HydrophobicContact CD2-CB 4.17Å; W65-I130 HydrophobicContact CD2-CD1 4.47Å; W65-I130 HydrophobicContact CD2-CG2 3.53Å; W65-I130 HydrophobicContact CE3-CB 4.15Å; W65-I130 HydrophobicContact CE3-CG2 3.69Å; W65-I130 HydrophobicContact CG-CB 4.5Å; W65-I130 HydrophobicContact CG-CD1 3.96Å; W65-I130 HydrophobicContact CG-CG2 4.13Å; W65-I130 HydrophobicContact CH2-CG2 3.94Å; W65-I130 HydrophobicContact CZ2-CG2 3.81Å; W65-I130 HydrophobicContact CZ3-CG2 3.89Å
66D97.7Very high95.2Very high59 Ų5943.1 Ų43.132%0.31624%0.24SC..Hα-helixtrans-59.9-30177.9-84.3-8.9000112.7E62 E63 K69 L75E62-D66 WeakPolarHBondContact O-CB 3.26Å; E62-D66 PolarHBondContact O-N 3.42Å; E63-D66 PolarHBondContact O-N 2.93Å; D66-K69 VanDerWaalsContact OD1-CE 3.31Å; D66-K69 WeakPolarHBondContact OD1-CE 3.36Å; D66-K69 IonicContact OD1-NZ 2.83Å; D66-K69 PolarHBondContact OD1-NZ 3.41Å; D66-L75 HydrophobicContact CB-CD1 4.48Å
67C98.1Very high95.2Very high1 Ų143.1 Ų43.11%0.00724%0.242CC..Hα-helixtrans-70.3-36.5173.1-69.10000113.4E63 V64 W65 W79 L204E63-C67 PolarHBondContact O-N 2.73Å; E63-C67 PolarHBondContact O-SG 2.78Å; E63-C67 VanDerWaalsContact O-SG 3.36Å; V64-C67 WeakPolarHBondContact O-CB 3.35Å; V64-C67 PolarHBondContact O-N 3.13Å; W65-C67 PolarHBondContact O-N 2.94Å; C67-W79 HydrophobicContact CB-CZ2 4.12Å; C67-W79 WeakPolarHBondContact O-CZ2 3.38Å; C67-W79 PolarHBondContact O-NE1 2.85Å; C67-L204 HydrophobicContact CB-CD1 3.3Å
68V97.5Very high95.1Very high9 Ų951 Ų516%0.05528%0.276CS..Hα-helixtrans-106.2-14.4-170.4-590000114.7V64 W65 W79 F200 L204V64-V68 PolarHBondContact O-N 2.85Å; W65-V68 HydrophobicContact CE3-CG2 3.78Å; W65-V68 HydrophobicContact CZ3-CG2 4.19Å; W65-V68 PolarHBondContact O-N 2.84Å; V68-W79 HydrophobicContact CG1-CH2 4.27Å; V68-W79 HydrophobicContact CG1-CZ2 3.94Å; V68-F200 HydrophobicContact CG1-CZ 4.23Å; V68-L204 HydrophobicContact CG1-CD1 4.25Å; V68-L204 HydrophobicContact CG1-CD2 4.22Å
69K95.5Very high95.1Very high70 Ų7045.7 Ų45.730%0.30426%0.256SS..SBendtrans-61.5141.3-174.569.6-176.8179-168.70112.1W65 D66 A71W65-K69 HydrophobicContact CD2-CB 4.01Å; W65-K69 VanDerWaalsContact CE2-CB 3.48Å; W65-K69 HydrophobicContact CG-CB 4.4Å; W65-K69 HydrophobicContact CH2-CB 4.35Å; W65-K69 HydrophobicContact CZ2-CB 3.66Å; W65-K69 VanDerWaalsContact O-CB 3.29Å; W65-K69 WeakPolarHBondContact O-CB 3.07Å; W65-K69 PolarHBondContact O-N 3.35Å; D66-K69 VanDerWaalsContact OD1-CE 3.31Å; D66-K69 WeakPolarHBondContact OD1-CE 3.36Å; D66-K69 IonicContact OD1-NZ 2.83Å; D66-K69 PolarHBondContact OD1-NZ 3.41Å; K69-A71 HydrophobicContact CG-CB 4.16Å; K69-A71 PolarHBondContact O-N 2.77Å
70P92.5Very high95.1Very high29 Ų2946 Ų4619%0.18826%0.257CS..  trans-73.495.1176.230.9-34.8000109.9F86 V120 V122P70-F86 HydrophobicContact CB-CE1 4.39Å; P70-F86 HydrophobicContact CB-CE2 4.38Å; P70-F86 HydrophobicContact CB-CZ 3.61Å; P70-V120 HydrophobicContact CB-CG1 4.15Å; P70-V120 HydrophobicContact CG-CG1 3.8Å; P70-V122 HydrophobicContact CG-CG2 3.92Å
71A90.6Very high95.1Very high28 Ų2848.2 Ų48.223%0.23127%0.265CS..  trans-137.8140.1-177.500000112.6K69 G73 G74 F86K69-A71 HydrophobicContact CG-CB 4.16Å; K69-A71 PolarHBondContact O-N 2.77Å; A71-G73 PolarHBondContact O-N 2.99Å; A71-G74 PolarHBondContact O-N 3.25Å; A71-F86 WeakPolarHBondContact O-CD1 3.42Å
72V84.9Confident95Very high112 Ų11248.7 Ų48.768%0.67927%0.267SS*.THydrogen-bonded Turntrans-61.2129.2170.2-177.60000109G74 I88V72-G74 PolarHBondContact O-N 3.18Å; V72-G74 VanDerWaalsContact O-N 3.14Å; V72-I88 HydrophobicContact CG2-CB 3.68Å; V72-I88 HydrophobicContact CG2-CG1 3.39Å
73G84.9Confident95.1Very high71 Ų7144.3 Ų44.373%0.73225%0.247SC*.THydrogen-bonded Turntrans64.513-175.300000114A71A71-G73 PolarHBondContact O-N 2.99Å
74G89.6Confident95.1Very high16 Ų1646.1 Ų46.117%0.16526%0.261CS..  trans-65174.4177.600000113A71 V72 R76A71-G74 PolarHBondContact O-N 3.25Å; V72-G74 PolarHBondContact O-N 3.18Å; V72-G74 VanDerWaalsContact O-N 3.14Å; G74-R76 VanDerWaalsContact C-N 3.31Å; G74-R76 PolarHBondContact O-N 2.86Å
75L95.5Very high95Very high47 Ų4747.1 Ų47.125%0.24627%0.271CS..SBendtrans-75.6-20.9-172.8-62.7179.5000113.3D66 V77 K78 W79 F211D66-L75 HydrophobicContact CB-CD1 4.48Å; L75-V77 VanDerWaalsContact C-N 3.31Å; L75-V77 PolarHBondContact O-N 3.3Å; L75-K78 HydrophobicContact CD2-CD 4.07Å; L75-K78 WeakPolarHBondContact O-CA 3.48Å; L75-K78 VanDerWaalsContact O-CB 3.3Å; L75-K78 WeakPolarHBondContact O-CB 2.94Å; L75-K78 PolarHBondContact O-N 3.3Å; L75-W79 PolarHBondContact O-NE1 3.21Å; L75-F211 HydrophobicContact CD1-CE1 4.26Å; L75-F211 HydrophobicContact CD1-CZ 3.56Å
76R96.9Very high94.9Very high49 Ų4948.1 Ų48.119%0.18528%0.276CS..Hα-helixtrans-54.5-43-170.1-169.658.6176.9-112.5-2.9114.2G74 K78 D80 V83 F200G74-R76 VanDerWaalsContact C-N 3.31Å; G74-R76 PolarHBondContact O-N 2.86Å; R76-K78 PolarHBondContact O-N 3.19Å; R76-D80 HydrophobicContact CG-CB 4.41Å; R76-D80 IonicContact CZ-OD2 3.05Å; R76-D80 IonicContact NE-OD2 3.13Å; R76-D80 PolarHBondContact NE-OD2 2.98Å; R76-D80 IonicContact NH2-OD2 2.68Å; R76-D80 PolarHBondContact NH2-OD2 2.89Å; R76-D80 VanDerWaalsContact O-CB 3.32Å; R76-D80 WeakPolarHBondContact O-CB 3.5Å; R76-D80 PolarHBondContact O-N 3.32Å; R76-V83 HydrophobicContact CG-CG2 4.26Å; R76-F200 VanDerWaalsContact NH2-CD2 3.33Å
77V96.6Very high94.9Very high61 Ų6149.1 Ų49.137%0.3728%0.279SS..Hα-helixtrans-65.3-25178.4-176.20000112.2L75 V83 F86L75-V77 VanDerWaalsContact C-N 3.31Å; L75-V77 PolarHBondContact O-N 3.3Å; V77-V83 HydrophobicContact CG2-CG1 3.96Å; V77-F86 HydrophobicContact CG2-CB 3.63Å
78K96.5Very high94.9Very high166 Ų16651.3 Ų51.372%0.72229%0.29SS*.Hα-helixtrans-78.3-32.2-175.8-59.2-174.9180178.90113L75 R76L75-K78 HydrophobicContact CD2-CD 4.07Å; L75-K78 WeakPolarHBondContact O-CA 3.48Å; L75-K78 VanDerWaalsContact O-CB 3.3Å; L75-K78 WeakPolarHBondContact O-CB 2.94Å; L75-K78 PolarHBondContact O-N 3.3Å; R76-K78 PolarHBondContact O-N 3.19Å
79W97.3Very high94.9Very high29 Ų2952.9 Ų52.911%0.1130%0.298CS..Hα-helixtrans-118.6-25.4-170.565.7-102.5000114.4C67 V68 L75 E81 F200 N203 L204 A207C67-W79 HydrophobicContact CB-CZ2 4.12Å; C67-W79 WeakPolarHBondContact O-CZ2 3.38Å; C67-W79 PolarHBondContact O-NE1 2.85Å; V68-W79 HydrophobicContact CG1-CH2 4.27Å; V68-W79 HydrophobicContact CG1-CZ2 3.94Å; L75-W79 PolarHBondContact O-NE1 3.21Å; W79-E81 PolarHBondContact O-N 3.38Å; W79-F200 AromaticContact CH2-CD2 3.72Å; W79-F200 HydrophobicContact CH2-CD2 3.72Å; W79-F200 AromaticContact CH2-CE2 3.16Å; W79-F200 HydrophobicContact CH2-CE2 3.16Å; W79-F200 AromaticContact CH2-CZ 3.82Å; W79-F200 HydrophobicContact CH2-CZ 3.82Å; W79-F200 HydrophobicContact CZ2-CE2 4.19Å; W79-F200 AromaticContact CZ3-CD2 3.73Å; W79-F200 HydrophobicContact CZ3-CD2 3.73Å; W79-F200 AromaticContact CZ3-CE2 3.69Å; W79-F200 HydrophobicContact CZ3-CE2 3.69Å; W79-N203 HydrophobicContact CE3-CB 4.02Å; W79-N203 HydrophobicContact CZ3-CB 4.48Å; W79-N203 WeakPolarHBondContact O-CB 3.42Å; W79-L204 HydrophobicContact CE3-CB 4.24Å; W79-L204 HydrophobicContact CH2-CB 3.62Å; W79-L204 HydrophobicContact CH2-CD1 3.68Å; W79-L204 HydrophobicContact CH2-CD2 4.3Å; W79-L204 HydrophobicContact CH2-CG 4.06Å; W79-L204 HydrophobicContact CZ2-CB 4.43Å; W79-L204 HydrophobicContact CZ2-CD1 3.65Å; W79-L204 HydrophobicContact CZ3-CB 3.58Å; W79-L204 HydrophobicContact CZ3-CD1 4.35Å; W79-L204 HydrophobicContact CZ3-CG 4.48Å; W79-A207 HydrophobicContact CB-CB 3.66Å; W79-A207 HydrophobicContact CD2-CB 4.28Å; W79-A207 HydrophobicContact CG-CB 3.68Å
80D97.5Very high94.9Very high7 Ų752.2 Ų52.24%0.03730%0.296CS..  trans-85.3108.6-179.7-171.2-10.8000110.4R76 N82 V83R76-D80 HydrophobicContact CG-CB 4.41Å; R76-D80 IonicContact CZ-OD2 3.05Å; R76-D80 IonicContact NE-OD2 3.13Å; R76-D80 PolarHBondContact NE-OD2 2.98Å; R76-D80 IonicContact NH2-OD2 2.68Å; R76-D80 PolarHBondContact NH2-OD2 2.89Å; R76-D80 VanDerWaalsContact O-CB 3.32Å; R76-D80 WeakPolarHBondContact O-CB 3.5Å; R76-D80 PolarHBondContact O-N 3.32Å; D80-N82 PolarHBondContact O-N 3.03Å; D80-N82 PolarHBondContact OD1-N 3.19Å; D80-V83 HydrophobicContact CB-CB 4.16Å; D80-V83 HydrophobicContact CB-CG2 3.95Å; D80-V83 PolarHBondContact O-N 3.03Å; D80-V83 WeakPolarHBondContact OD2-CG2 3.44Å
81E96.6Very high95.1Very high84 Ų8454.9 Ų54.939%0.39332%0.315SS..THydrogen-bonded Turntrans-59.4-19.6179.270.3178.8-137.800113.7W79 V83 P104 R199 N203W79-E81 PolarHBondContact O-N 3.38Å; E81-V83 VanDerWaalsContact C-N 3.35Å; E81-P104 VanDerWaalsContact O-CG 3.26Å; E81-P104 WeakPolarHBondContact O-CG 3.07Å; E81-R199 WeakPolarHBondContact OE1-CD 3.26Å; E81-R199 IonicContact OE1-CZ 2.66Å; E81-R199 IonicContact OE1-NE 3.79Å; E81-R199 IonicContact OE1-NH1 3.2Å; E81-R199 PolarHBondContact OE1-NH1 3.34Å; E81-N203 PolarHBondContact OE2-ND2 2.91Å
82N96.6Very high95.4Very high22 Ų2255 Ų5512%0.11831%0.311CS..THydrogen-bonded Turntrans-89.31.7176.1-68.1-62.9000113.2D80 T103 P104 S196D80-N82 PolarHBondContact O-N 3.03Å; D80-N82 PolarHBondContact OD1-N 3.19Å; N82-T103 VanDerWaalsContact O-CA 3.31Å; N82-T103 WeakPolarHBondContact O-CA 3.37Å; N82-T103 WeakPolarHBondContact O-CB 3.47Å; N82-T103 WeakPolarHBondContact O-CG2 3.5Å; N82-P104 VanDerWaalsContact O-CD 3.28Å; N82-P104 WeakPolarHBondContact O-CD 3.3Å; N82-S196 PolarHBondContact ND2-OG 2.8Å
83V97.6Very high95.9Very high14 Ų1452.8 Ų52.89%0.08530%0.298CS..  trans-120.2113.7-179.4-178.40000110R76 V77 D80 E81 T101R76-V83 HydrophobicContact CG-CG2 4.26Å; V77-V83 HydrophobicContact CG2-CG1 3.96Å; D80-V83 HydrophobicContact CB-CB 4.16Å; D80-V83 HydrophobicContact CB-CG2 3.95Å; D80-V83 PolarHBondContact O-N 3.03Å; D80-V83 WeakPolarHBondContact OD2-CG2 3.44Å; E81-V83 VanDerWaalsContact C-N 3.35Å; V83-T101 HydrophobicContact CG1-CG2 4.11Å; V83-T101 HydrophobicContact CG2-CG2 4.22Å
84T97.1Very high96.4Very high79 Ų7957.6 Ų57.649%0.48531%0.307SS..SBendtrans-101.5-1817649.40000113.4S102 P104T84-S102 PolarHBondContact N-O 3.48Å; T84-S102 PolarHBondContact OG1-O 2.94Å; T84-P104 HydrophobicContact CG2-CB 3.64Å; T84-P104 HydrophobicContact CG2-CG 3.91Å
85G96.4Very high96.8Very high20 Ų2060 Ų6021%0.20632%0.319CS..EExtended strand (participates in β ladder)trans-159.7145.3178.600000111.3T101 S102G85-T101 WeakPolarHBondContact O-CA 3.45Å; G85-S102 PolarHBondContact N-O 3.28Å; G85-S102 PolarHBondContact O-N 2.78Å
86F97.6Very high96.9Very high37 Ų3758 Ų5816%0.16231%0.308CS..EExtended strand (participates in β ladder)trans-140.8122.8176.3-174-92.2000109P70 A71 V77 I88 R100 T101P70-F86 HydrophobicContact CB-CE1 4.39Å; P70-F86 HydrophobicContact CB-CE2 4.38Å; P70-F86 HydrophobicContact CB-CZ 3.61Å; A71-F86 WeakPolarHBondContact O-CD1 3.42Å; V77-F86 HydrophobicContact CG2-CB 3.63Å; F86-I88 HydrophobicContact CE1-CD1 3.58Å; F86-I88 HydrophobicContact CE1-CG1 4.12Å; F86-I88 HydrophobicContact CZ-CD1 3.81Å; F86-R100 WeakPolarHBondContact CA-O 3.28Å; F86-T101 WeakPolarHBondContact CD2-OG1 3.44Å
87E97.1Very high97Very high80 Ų8056.3 Ų56.337%0.37430%0.304SS..EExtended strand (participates in β ladder)trans-127.9138.1-177.3-56.2177104.200108.7I89 S99 R100 K145E87-I89 HydrophobicContact CB-CD1 4.14Å; E87-S99 CarbonylContact O-C 3.58Å; E87-S99 WeakPolarHBondContact O-CA 3.43Å; E87-S99 WeakPolarHBondContact O-CB 3.47Å; E87-R100 HydrophobicContact CB-CB 4.35Å; E87-R100 PolarHBondContact N-O 3.03Å; E87-R100 PolarHBondContact O-N 2.85Å; E87-R100 WeakPolarHBondContact OE2-CD 3.48Å; E87-R100 IonicContact OE2-CZ 3.7Å; E87-R100 IonicContact OE2-NE 3.83Å; E87-R100 IonicContact OE2-NH1 3.77Å; E87-R100 PolarHBondContact OE2-NH1 3.31Å; E87-K145 IonicContact OE2-NZ 2.77Å
88I97.6Very high97Very high48 Ų4853.4 Ų53.425%0.24629%0.286CS..EExtended strand (participates in β ladder)trans-91.6113.9164.6-62.3-59000107.3V72 F86 C97V72-I88 HydrophobicContact CG2-CB 3.68Å; V72-I88 HydrophobicContact CG2-CG1 3.39Å; F86-I88 HydrophobicContact CE1-CD1 3.58Å; F86-I88 HydrophobicContact CE1-CG1 4.12Å; F86-I88 HydrophobicContact CZ-CD1 3.81Å; I88-C97 HydrophobicContact CD1-CB 4.3Å; I88-C97 HydrophobicContact CG2-CB 4.19Å
89I97.4Very high97.1Very high42 Ų4245.6 Ų45.622%0.21525%0.252CS..EExtended strand (participates in β ladder)trans-81.4-41.9-178.3-55.6-57.4000110.5E87 V98 R100 H139 L141 C142E87-I89 HydrophobicContact CB-CD1 4.14Å; I89-V98 HydrophobicContact CB-CG1 4.27Å; I89-V98 PolarHBondContact N-O 2.99Å; I89-R100 HydrophobicContact CD1-CB 3.83Å; I89-R100 HydrophobicContact CG1-CB 3.88Å; I89-H139 WeakPolarHBondContact CG2-ND1 3.47Å; I89-L141 HydrophobicContact CG2-CB 4.24Å; I89-C142 HydrophobicContact CD1-CB 4.22Å; I89-C142 HydrophobicContact CG1-CB 4.21Å; I89-C142 HydrophobicContact CG2-CB 4.21Å
90Q96.6Very high97.2Very high56 Ų5644.9 Ų44.926%0.26225%0.249SC..EExtended strand (participates in β ladder)trans-146.2123.6177.9-173-174.2-15.300109.2I92 C97 V98 H139Q90-I92 HydrophobicContact CG-CG1 4.23Å; Q90-C97 CarbonylContact O-C 3.5Å; Q90-C97 VanDerWaalsContact O-CA 3.28Å; Q90-C97 WeakPolarHBondContact O-CA 3.49Å; Q90-C97 WeakPolarHBondContact O-CB 3.39Å; Q90-V98 HydrophobicContact CB-CB 4.21Å; Q90-V98 HydrophobicContact CB-CG2 4.42Å; Q90-V98 PolarHBondContact N-O 2.85Å; Q90-V98 PolarHBondContact O-N 3.47Å; Q90-H139 PolarHBondContact OE1-NE2 2.98Å; Q90-H139 VanDerWaalsContact OE1-NE2 3.11Å
91S96.4Very high97.2Very high84 Ų8445.6 Ų45.659%0.58725%0.254SS*.EExtended strand (participates in β ladder)trans-86.5128163.6176.20000108.5T93S91-T93 PolarHBondContact OG-O 3.17Å
92I96.8Very high97.3Very high31 Ų3142 Ų4216%0.15924%0.238CC..  trans-104.9-45.1-178.4-58.7167.1000109.3P3 A6 Q90 L96 V98 L119P3-I92 HydrophobicContact CB-CG2 4.1Å; A6-I92 HydrophobicContact CB-CD1 3.79Å; A6-I92 HydrophobicContact CB-CG2 4.4Å; Q90-I92 HydrophobicContact CG-CG1 4.23Å; I92-L96 WeakPolarHBondContact CA-O 3.28Å; I92-L96 HydrophobicContact CB-CB 4.36Å; I92-L96 HydrophobicContact CB-CD2 4.27Å; I92-L96 HydrophobicContact CB-CG 4.1Å; I92-L96 WeakPolarHBondContact CB-O 3.14Å; I92-L96 HydrophobicContact CD1-CD2 4.34Å; I92-L96 HydrophobicContact CD1-CG 4.11Å; I92-L96 HydrophobicContact CG2-CD2 4Å; I92-L96 HydrophobicContact CG2-CG 4.39Å; I92-L96 PolarHBondContact N-O 3.36Å; I92-V98 HydrophobicContact CD1-CG2 4.12Å; I92-L119 HydrophobicContact CD1-CD1 3.67Å
93T96.4Very high97.4Very high65 Ų6542 Ų4240%0.39924%0.239SC..SBendtrans-140.4-178.716974.10000109.3S91 T95 L96S91-T93 PolarHBondContact OG-O 3.17Å; T93-T95 PolarHBondContact O-N 2.84Å; T93-T95 PolarHBondContact OG1-N 2.8Å; T93-T95 VanDerWaalsContact OG1-N 3.15Å; T93-T95 PolarHBondContact OG1-OG1 2.77Å; T93-L96 HydrophobicContact CG2-CB 4.36Å; T93-L96 PolarHBondContact N-O 3.15Å; T93-L96 PolarHBondContact O-N 2.84Å; T93-L96 VanDerWaalsContact O-O 3.12Å; T93-L96 VanDerWaalsContact OG1-CB 3.28Å; T93-L96 WeakPolarHBondContact OG1-CB 3.48Å; T93-L96 PolarHBondContact OG1-N 2.81Å
94D94.7Very high97.4Very high173 Ų17343 Ų4393%0.92525%0.246SC*.SBendtrans-61.5-20.2173.2-64-18.6000113.5
95T97.1Very high97.4Very high67 Ų6742 Ų4241%0.41124%0.242SC..SBendtrans-120.4-6-177.359.70000113.8T93 L121 V122T93-T95 PolarHBondContact O-N 2.84Å; T93-T95 PolarHBondContact OG1-N 2.8Å; T93-T95 VanDerWaalsContact OG1-N 3.15Å; T93-T95 PolarHBondContact OG1-OG1 2.77Å; T95-L121 CarbonylContact O-C 3.33Å; T95-L121 WeakPolarHBondContact O-CA 3.2Å; T95-V122 WeakPolarHBondContact CB-O 3.18Å; T95-V122 PolarHBondContact O-N 2.89Å
96L98.4Very high97.4Very high5 Ų541.9 Ų41.93%0.02624%0.239CC..EExtended strand (participates in β ladder)trans-126.6124.4-176.1-176.860.4000110.6A6 I92 T93 L119 V120 L121A6-L96 HydrophobicContact CB-CD2 3.94Å; I92-L96 WeakPolarHBondContact CA-O 3.28Å; I92-L96 HydrophobicContact CB-CB 4.36Å; I92-L96 HydrophobicContact CB-CD2 4.27Å; I92-L96 HydrophobicContact CB-CG 4.1Å; I92-L96 WeakPolarHBondContact CB-O 3.14Å; I92-L96 HydrophobicContact CD1-CD2 4.34Å; I92-L96 HydrophobicContact CD1-CG 4.11Å; I92-L96 HydrophobicContact CG2-CD2 4Å; I92-L96 HydrophobicContact CG2-CG 4.39Å; I92-L96 PolarHBondContact N-O 3.36Å; T93-L96 HydrophobicContact CG2-CB 4.36Å; T93-L96 PolarHBondContact N-O 3.15Å; T93-L96 PolarHBondContact O-N 2.84Å; T93-L96 VanDerWaalsContact O-O 3.12Å; T93-L96 VanDerWaalsContact OG1-CB 3.28Å; T93-L96 WeakPolarHBondContact OG1-CB 3.48Å; T93-L96 PolarHBondContact OG1-N 2.81Å; L96-L119 HydrophobicContact CD1-CD1 3.62Å; L96-L119 HydrophobicContact CD1-CD2 4.35Å; L96-L119 HydrophobicContact CD1-CG 3.85Å; L96-L119 HydrophobicContact CG-CD1 4.14Å; L96-V120 WeakPolarHBondContact CA-O 3.48Å; L96-L121 HydrophobicContact CB-CD1 4.36Å; L96-L121 HydrophobicContact CD1-CB 4.06Å; L96-L121 HydrophobicContact CD1-CD1 4.38Å
97C97.9Very high97.3Very high13 Ų1341.9 Ų41.99%0.08825%0.246CC..EExtended strand (participates in β ladder)trans-146.9159.8179.965.90000112.2I88 Q90 L119 V120I88-C97 HydrophobicContact CD1-CB 4.3Å; I88-C97 HydrophobicContact CG2-CB 4.19Å; Q90-C97 CarbonylContact O-C 3.5Å; Q90-C97 VanDerWaalsContact O-CA 3.28Å; Q90-C97 WeakPolarHBondContact O-CA 3.49Å; Q90-C97 WeakPolarHBondContact O-CB 3.39Å; C97-L119 CarbonylContact O-C 3.55Å; C97-L119 WeakPolarHBondContact O-CA 3.49Å; C97-V120 PolarHBondContact N-O 2.92Å; C97-V120 PolarHBondContact O-N 3.05Å
98V98.5Very high97Very high0 Ų046.6 Ų46.60%027%0.27CS..EExtended strand (participates in β ladder)trans-98.7123.9162.6-177.90000107.5I89 Q90 I92 V117 D118 L119 V137 H139I89-V98 HydrophobicContact CB-CG1 4.27Å; I89-V98 PolarHBondContact N-O 2.99Å; Q90-V98 HydrophobicContact CB-CB 4.21Å; Q90-V98 HydrophobicContact CB-CG2 4.42Å; Q90-V98 PolarHBondContact N-O 2.85Å; Q90-V98 PolarHBondContact O-N 3.47Å; I92-V98 HydrophobicContact CD1-CG2 4.12Å; V98-V117 HydrophobicContact CG1-CG1 3.75Å; V98-D118 CarbonylContact C-O 3.56Å; V98-D118 WeakPolarHBondContact CA-O 3.31Å; V98-L119 HydrophobicContact CG2-CD1 3.94Å; V98-V137 HydrophobicContact CG1-CG1 3.99Å; V98-V137 HydrophobicContact CG2-CG1 4.33Å; V98-H139 HydrophobicContact CG1-CB 4.3Å
99S98.3Very high96.9Very high1 Ų152.8 Ų52.81%0.00730%0.295CS..EExtended strand (participates in β ladder)trans-116.2157.917970.80000111.2E87 V117 D118 V120E87-S99 CarbonylContact O-C 3.58Å; E87-S99 WeakPolarHBondContact O-CA 3.43Å; E87-S99 WeakPolarHBondContact O-CB 3.47Å; S99-V117 CarbonylContact O-C 3.59Å; S99-V117 VanDerWaalsContact O-CA 3.29Å; S99-V117 WeakPolarHBondContact O-CA 3.33Å; S99-D118 PolarHBondContact N-O 3.47Å; S99-D118 PolarHBondContact O-N 3.09Å; S99-V120 WeakPolarHBondContact OG-CG2 3.39Å
100R98.4Very high96.9Very high14 Ų1455.8 Ų55.85%0.05331%0.311CS..EExtended strand (participates in β ladder)trans-119.3127.5165.9-173.3-156.5-177.6-135.7-13.8109.3F86 E87 I89 D115 F116 V117 C142 K145F86-R100 WeakPolarHBondContact CA-O 3.28Å; E87-R100 HydrophobicContact CB-CB 4.35Å; E87-R100 PolarHBondContact N-O 3.03Å; E87-R100 PolarHBondContact O-N 2.85Å; E87-R100 WeakPolarHBondContact OE2-CD 3.48Å; E87-R100 IonicContact OE2-CZ 3.7Å; E87-R100 IonicContact OE2-NE 3.83Å; E87-R100 IonicContact OE2-NH1 3.77Å; E87-R100 PolarHBondContact OE2-NH1 3.31Å; I89-R100 HydrophobicContact CD1-CB 3.83Å; I89-R100 HydrophobicContact CG1-CB 3.88Å; R100-D115 IonicContact CZ-OD2 2.77Å; R100-D115 VanDerWaalsContact CZ-OD2 3.31Å; R100-D115 IonicContact NE-OD2 3.31Å; R100-D115 PolarHBondContact NE-OD2 2.89Å; R100-D115 IonicContact NH2-OD2 2.84Å; R100-D115 PolarHBondContact NH2-OD2 3.16Å; R100-F116 CarbonylContact C-O 3.59Å; R100-F116 WeakPolarHBondContact CA-O 3.4Å; R100-V117 HydrophobicContact CB-CG2 4.36Å; R100-V117 HydrophobicContact CG-CG2 4.07Å; R100-C142 WeakPolarHBondContact CD-SG 3.26Å; R100-K145 VanDerWaalsContact CZ-CE 3.49Å
101T98.4Very high96.9Very high23 Ų2353.3 Ų53.314%0.14130%0.3CS..EExtended strand (participates in β ladder)trans-114.9132.3175.9-56.20000109.4V83 G85 F86 D115 F116V83-T101 HydrophobicContact CG1-CG2 4.11Å; V83-T101 HydrophobicContact CG2-CG2 4.22Å; G85-T101 WeakPolarHBondContact O-CA 3.45Å; F86-T101 WeakPolarHBondContact CD2-OG1 3.44Å; T101-D115 CarbonylContact O-C 3.6Å; T101-D115 VanDerWaalsContact O-CA 3.26Å; T101-D115 WeakPolarHBondContact O-CA 3.25Å; T101-F116 PolarHBondContact N-O 3.16Å; T101-F116 PolarHBondContact O-N 3.02Å
102S98.3Very high97Very high7 Ų751.6 Ų51.65%0.04929%0.288CS..EExtended strand (participates in β ladder)trans-112.2135.5176.4-56.90000110.4T84 G85 R114T84-S102 PolarHBondContact N-O 3.48Å; T84-S102 PolarHBondContact OG1-O 2.94Å; G85-S102 PolarHBondContact N-O 3.28Å; G85-S102 PolarHBondContact O-N 2.78Å; S102-R114 WeakPolarHBondContact CA-O 3.35Å
103T98.4Very high97.1Very high22 Ų2251.8 Ų51.814%0.13529%0.291CS..EExtended strand (participates in β ladder)trans-115.1148-179.171.70000111N82 P113 R114 F116N82-T103 VanDerWaalsContact O-CA 3.31Å; N82-T103 WeakPolarHBondContact O-CA 3.37Å; N82-T103 WeakPolarHBondContact O-CB 3.47Å; N82-T103 WeakPolarHBondContact O-CG2 3.5Å; T103-P113 WeakPolarHBondContact O-CA 3.45Å; T103-P113 WeakPolarHBondContact O-CB 3.11Å; T103-R114 PolarHBondContact N-O 2.84Å; T103-R114 PolarHBondContact O-N 2.81Å; T103-R114 WeakPolarHBondContact OG1-CB 3.19Å; T103-R114 PolarHBondContact OG1-N 3.19Å; T103-R114 PolarHBondContact OG1-O 2.86Å; T103-F116 HydrophobicContact CG2-CD2 4.04Å; T103-F116 HydrophobicContact CG2-CE2 3.58Å
104P98.1Very high97.2Very high37 Ų3748.9 Ų48.924%0.2427%0.273CS..  trans-74.2-180176.630.3-28.2000110.9E81 N82 T84E81-P104 VanDerWaalsContact O-CG 3.26Å; E81-P104 WeakPolarHBondContact O-CG 3.07Å; N82-P104 VanDerWaalsContact O-CD 3.28Å; N82-P104 WeakPolarHBondContact O-CD 3.3Å; T84-P104 HydrophobicContact CG2-CB 3.64Å; T84-P104 HydrophobicContact CG2-CG 3.91Å
105S97.3Very high97.4Very high58 Ų5840.7 Ų40.741%0.40623%0.229SC..  trans-66.3142.9165.1-58.80000111.2I111 P113S105-I111 CarbonylContact C-O 3.56Å; S105-I111 WeakPolarHBondContact CA-O 3.47Å; S105-I111 WeakPolarHBondContact CB-O 3.18Å; S105-P113 WeakPolarHBondContact OG-CD 3.44Å
106A96.5Very high97.5Very high16 Ų1637.9 Ų37.913%0.13221%0.211CC..BIsolated β-bridgetrans-131.7174.8179.600000111.6M108 K109 L110 I111 F192A106-M108 PolarHBondContact O-N 3.27Å; A106-K109 WeakPolarHBondContact O-CA 3.37Å; A106-K109 PolarHBondContact O-N 3.49Å; A106-L110 PolarHBondContact O-N 2.83Å; A106-I111 HydrophobicContact CB-CB 4.14Å; A106-I111 HydrophobicContact CB-CD1 4.38Å; A106-I111 HydrophobicContact CB-CG2 4.42Å; A106-I111 PolarHBondContact N-O 3.09Å; A106-I111 PolarHBondContact O-N 2.81Å; A106-I111 VanDerWaalsContact O-N 3.14Å; A106-F192 HydrophobicContact CB-CD2 4.01Å; A106-F192 HydrophobicContact CB-CE2 3.52Å; A106-F192 HydrophobicContact CB-CZ 4.19Å
107A93.9Very high97.5Very high38 Ų3837.8 Ų37.831%0.31421%0.21SC..THydrogen-bonded Turntrans49.155.9177.600000113.4K109 L110 I111 V188A107-K109 VanDerWaalsContact C-N 3.27Å; A107-K109 PolarHBondContact O-N 3.24Å; A107-L110 HydrophobicContact CB-CB 4.45Å; A107-L110 VanDerWaalsContact O-CB 3.25Å; A107-L110 WeakPolarHBondContact O-CB 3.37Å; A107-L110 VanDerWaalsContact O-CG 3.26Å; A107-L110 WeakPolarHBondContact O-CG 3.37Å; A107-L110 PolarHBondContact O-N 2.81Å; A107-L110 VanDerWaalsContact O-N 3.09Å; A107-I111 HydrophobicContact CB-CD1 3.8Å; A107-I111 HydrophobicContact CB-CG1 4.05Å; A107-V188 HydrophobicContact CB-CG1 4.15Å
108M92.7Very high97.5Very high179 Ų17937.5 Ų37.588%0.88221%0.208SC*.THydrogen-bonded Turntrans55.439.9-177.6-56-174.8-65.700113.3A106 L110A106-M108 PolarHBondContact O-N 3.27Å; M108-L110 PolarHBondContact O-N 2.78Å
109K94.8Very high97.5Very high178 Ų17837.6 Ų37.677%0.77421%0.209SC*.THydrogen-bonded Turntrans67.57.4-178-51.4177.7179.4178.90115.1A106 A107 I111A106-K109 WeakPolarHBondContact O-CA 3.37Å; A106-K109 PolarHBondContact O-N 3.49Å; A107-K109 VanDerWaalsContact C-N 3.27Å; A107-K109 PolarHBondContact O-N 3.24Å; K109-I111 PolarHBondContact O-N 3.38Å
110L96.4Very high97.6Very high105 Ų10537.9 Ų37.955%0.5521%0.211SC..THydrogen-bonded Turntrans-66.5-31.7170.8-64.3173.9000111.6A106 A107 M108 L184 V188A106-L110 PolarHBondContact O-N 2.83Å; A107-L110 HydrophobicContact CB-CB 4.45Å; A107-L110 VanDerWaalsContact O-CB 3.25Å; A107-L110 WeakPolarHBondContact O-CB 3.37Å; A107-L110 VanDerWaalsContact O-CG 3.26Å; A107-L110 WeakPolarHBondContact O-CG 3.37Å; A107-L110 PolarHBondContact O-N 2.81Å; A107-L110 VanDerWaalsContact O-N 3.09Å; M108-L110 PolarHBondContact O-N 2.78Å; L110-L184 WeakPolarHBondContact O-CD2 3.33Å; L110-V188 HydrophobicContact CB-CG1 4.19Å; L110-V188 HydrophobicContact CD1-CG1 4.5Å; L110-V188 HydrophobicContact CD1-CG2 4.18Å
111I98Very high97.6Very high3 Ų338 Ų382%0.01521%0.212CC..BIsolated β-bridgetrans-99.8101.9171-57.5169.9000106.2S105 A106 A107 K109 R114 L180 L184 V188 F192S105-I111 CarbonylContact C-O 3.56Å; S105-I111 WeakPolarHBondContact CA-O 3.47Å; S105-I111 WeakPolarHBondContact CB-O 3.18Å; A106-I111 HydrophobicContact CB-CB 4.14Å; A106-I111 HydrophobicContact CB-CD1 4.38Å; A106-I111 HydrophobicContact CB-CG2 4.42Å; A106-I111 PolarHBondContact N-O 3.09Å; A106-I111 PolarHBondContact O-N 2.81Å; A106-I111 VanDerWaalsContact O-N 3.14Å; A107-I111 HydrophobicContact CB-CD1 3.8Å; A107-I111 HydrophobicContact CB-CG1 4.05Å; K109-I111 PolarHBondContact O-N 3.38Å; I111-R114 VanDerWaalsContact C-NH1 3.33Å; I111-R114 VanDerWaalsContact CG2-NH1 3.3Å; I111-L180 HydrophobicContact CD1-CD1 3.98Å; I111-L180 HydrophobicContact CG2-CD1 4.28Å; I111-L184 HydrophobicContact CG1-CD1 4.15Å; I111-L184 HydrophobicContact CG1-CD2 4.18Å; I111-V188 HydrophobicContact CD1-CG1 4.03Å; I111-V188 HydrophobicContact CG1-CG1 3.86Å; I111-F192 HydrophobicContact CD1-CB 3.88Å; I111-F192 HydrophobicContact CD1-CD1 4.13Å; I111-F192 HydrophobicContact CD1-CD2 4.07Å; I111-F192 HydrophobicContact CD1-CG 3.75Å
112S98Very high97.6Very high48 Ų4838.1 Ų38.134%0.33621%0.213SC..  trans-56.6169.9166.557.40000113.7R114S112-R114 VanDerWaalsContact CA-NH1 3.33Å; S112-R114 WeakPolarHBondContact O-CD 3.13Å; S112-R114 PolarHBondContact O-NH1 2.89Å; S112-R114 PolarHBondContact OG-NH1 2.65Å
113P98.6Very high97.6Very high35 Ų3540.7 Ų40.723%0.22722%0.223CC..  trans-58.5140.4176.5-25.337.7000112.7T103 S105 F148 V149T103-P113 WeakPolarHBondContact O-CA 3.45Å; T103-P113 WeakPolarHBondContact O-CB 3.11Å; S105-P113 WeakPolarHBondContact OG-CD 3.44Å; P113-F148 HydrophobicContact CB-CD1 3.62Å; P113-F148 HydrophobicContact CB-CE1 3.68Å; P113-V149 PolarHBondContact O-N 3.4Å
114R98.7Very high97.6Very high5 Ų547.6 Ų47.62%0.01925%0.247CC..EExtended strand (participates in β ladder)trans-115.5152172-85.365.8179.7157.611.4110.8S102 T103 I111 S112 F116 F148 V149 L180 S181 L184S102-R114 WeakPolarHBondContact CA-O 3.35Å; T103-R114 PolarHBondContact N-O 2.84Å; T103-R114 PolarHBondContact O-N 2.81Å; T103-R114 WeakPolarHBondContact OG1-CB 3.19Å; T103-R114 PolarHBondContact OG1-N 3.19Å; T103-R114 PolarHBondContact OG1-O 2.86Å; I111-R114 VanDerWaalsContact C-NH1 3.33Å; I111-R114 VanDerWaalsContact CG2-NH1 3.3Å; S112-R114 VanDerWaalsContact CA-NH1 3.33Å; S112-R114 WeakPolarHBondContact O-CD 3.13Å; S112-R114 PolarHBondContact O-NH1 2.89Å; S112-R114 PolarHBondContact OG-NH1 2.65Å; R114-F116 HydrophobicContact CB-CD2 4.45Å; R114-F116 HydrophobicContact CB-CE2 3.58Å; R114-F116 HydrophobicContact CB-CZ 3.76Å; R114-F116 HydrophobicContact CG-CE2 4.5Å; R114-F116 HydrophobicContact CG-CZ 4.2Å; R114-F148 WeakPolarHBondContact O-CD1 3.33Å; R114-V149 WeakPolarHBondContact CA-O 3.46Å; R114-V149 HydrophobicContact CG-CB 4.2Å; R114-V149 WeakPolarHBondContact CG-O 3.43Å; R114-L180 HydrophobicContact CG-CD2 4.41Å; R114-L180 PolarHBondContact NE-O 3.37Å; R114-S181 PolarHBondContact NH2-O 2.77Å; R114-L184 VanDerWaalsContact NH2-CD1 3.35Å
115D98.6Very high97.6Very high0 Ų048.2 Ų48.20%024%0.244CC..EExtended strand (participates in β ladder)trans-121.6148.5159.980.6-11.1000111.6R100 T101 F148 V149 R150 G151R100-D115 IonicContact CZ-OD2 2.77Å; R100-D115 VanDerWaalsContact CZ-OD2 3.31Å; R100-D115 IonicContact NE-OD2 3.31Å; R100-D115 PolarHBondContact NE-OD2 2.89Å; R100-D115 IonicContact NH2-OD2 2.84Å; R100-D115 PolarHBondContact NH2-OD2 3.16Å; T101-D115 CarbonylContact O-C 3.6Å; T101-D115 VanDerWaalsContact O-CA 3.26Å; T101-D115 WeakPolarHBondContact O-CA 3.25Å; D115-F148 HydrophobicContact CB-CB 4.14Å; D115-F148 HydrophobicContact CB-CD1 4.12Å; D115-F148 HydrophobicContact CB-CG 4.16Å; D115-V149 PolarHBondContact N-O 3.24Å; D115-R150 WeakPolarHBondContact O-CD 3.3Å; D115-R150 IonicContact OD1-CZ 3.86Å; D115-R150 IonicContact OD1-NE 3.52Å; D115-R150 PolarHBondContact OD1-NE 3.18Å; D115-R150 IonicContact OD1-NH2 2.89Å; D115-R150 IonicContact OD2-NH2 2.67Å; D115-G151 PolarHBondContact O-N 2.66Å
116F98.8Very high97.6Very high9 Ų955.4 Ų55.44%0.03927%0.272CS..EExtended strand (participates in β ladder)trans-126.1138.5-177.9-59-88000107.8R100 T101 T103 R114 G151 N153 T178 L180R100-F116 CarbonylContact C-O 3.59Å; R100-F116 WeakPolarHBondContact CA-O 3.4Å; T101-F116 PolarHBondContact N-O 3.16Å; T101-F116 PolarHBondContact O-N 3.02Å; T103-F116 HydrophobicContact CG2-CD2 4.04Å; T103-F116 HydrophobicContact CG2-CE2 3.58Å; R114-F116 HydrophobicContact CB-CD2 4.45Å; R114-F116 HydrophobicContact CB-CE2 3.58Å; R114-F116 HydrophobicContact CB-CZ 3.76Å; R114-F116 HydrophobicContact CG-CE2 4.5Å; R114-F116 HydrophobicContact CG-CZ 4.2Å; F116-G151 VanDerWaalsContact CD1-C 3.43Å; F116-G151 VanDerWaalsContact CE1-CA 3.47Å; F116-N153 WeakPolarHBondContact CD1-ND2 3.19Å; F116-T178 HydrophobicContact CD1-CG2 4.39Å; F116-T178 HydrophobicContact CE1-CG2 3.38Å; F116-T178 HydrophobicContact CZ-CG2 3.6Å; F116-L180 HydrophobicContact CZ-CD2 4.16Å
117V98.8Very high97.5Very high2 Ų259.7 Ų59.71%0.01229%0.292CS..EExtended strand (participates in β ladder)trans-122.2110.4174.2177.90000107.3V98 S99 R100 H136 V137 H139 C142 R150V98-V117 HydrophobicContact CG1-CG1 3.75Å; S99-V117 CarbonylContact O-C 3.59Å; S99-V117 VanDerWaalsContact O-CA 3.29Å; S99-V117 WeakPolarHBondContact O-CA 3.33Å; R100-V117 HydrophobicContact CB-CG2 4.36Å; R100-V117 HydrophobicContact CG-CG2 4.07Å; V117-H136 CarbonylContact O-C 3.45Å; V117-H136 VanDerWaalsContact O-CA 3.26Å; V117-H136 WeakPolarHBondContact O-CA 3.35Å; V117-V137 HydrophobicContact CG1-CG1 4.33Å; V117-V137 WeakPolarHBondContact CG1-O 3.47Å; V117-V137 PolarHBondContact O-N 3.25Å; V117-H139 HydrophobicContact CG1-CB 4.02Å; V117-C142 HydrophobicContact CG2-CB 4.11Å; V117-C142 VanDerWaalsContact CG2-SG 3.54Å; V117-R150 VanDerWaalsContact CG2-CZ 3.43Å; V117-R150 VanDerWaalsContact CG2-NH1 3.33Å
118D98.8Very high97.7Very high7 Ų759.8 Ų59.84%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-124.1135.5-167.4-59.6-40.4000110.9V98 S99 V120 A134 T135 H136 N153V98-D118 CarbonylContact C-O 3.56Å; V98-D118 WeakPolarHBondContact CA-O 3.31Å; S99-D118 PolarHBondContact N-O 3.47Å; S99-D118 PolarHBondContact O-N 3.09Å; D118-V120 HydrophobicContact CB-CG2 3.97Å; D118-A134 HydrophobicContact CB-CB 4.34Å; D118-T135 CarbonylContact C-O 3.59Å; D118-T135 VanDerWaalsContact CA-O 3.24Å; D118-T135 WeakPolarHBondContact CA-O 3.25Å; D118-H136 WeakPolarHBondContact OD1-CA 3.26Å; D118-N153 WeakPolarHBondContact OD1-CB 3.36Å; D118-N153 PolarHBondContact OD2-ND2 3.39Å
119L98.8Very high98Very high2 Ų251.5 Ų51.51%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-77.1122.1159.7-175.969.3000107.9M1 A6 M9 I92 L96 C97 V98 A134 T135 V137M1-L119 HydrophobicContact SD-CD1 4.32Å; M1-L119 HydrophobicContact SD-CD2 4.21Å; A6-L119 HydrophobicContact CB-CD1 4.48Å; M9-L119 HydrophobicContact CB-CD2 4.43Å; M9-L119 HydrophobicContact CE-CB 4.32Å; M9-L119 HydrophobicContact CE-CD2 3.31Å; M9-L119 HydrophobicContact CE-CG 4.43Å; I92-L119 HydrophobicContact CD1-CD1 3.67Å; L96-L119 HydrophobicContact CD1-CD1 3.62Å; L96-L119 HydrophobicContact CD1-CD2 4.35Å; L96-L119 HydrophobicContact CD1-CG 3.85Å; L96-L119 HydrophobicContact CG-CD1 4.14Å; C97-L119 CarbonylContact O-C 3.55Å; C97-L119 WeakPolarHBondContact O-CA 3.49Å; V98-L119 HydrophobicContact CG2-CD1 3.94Å; L119-A134 VanDerWaalsContact O-CA 3.29Å; L119-A134 WeakPolarHBondContact O-CA 3.42Å; L119-T135 PolarHBondContact N-O 3.48Å; L119-T135 PolarHBondContact O-N 3.3Å; L119-T135 VanDerWaalsContact O-N 3.09Å; L119-V137 HydrophobicContact CB-CG1 4.24Å
120V98.7Very high98.2Very high8 Ų843.1 Ų43.15%0.04822%0.22CC..EExtended strand (participates in β ladder)trans-123.6121.3-174.1-168.70000110.2P70 L96 C97 S99 D118 N133 A134P70-V120 HydrophobicContact CB-CG1 4.15Å; P70-V120 HydrophobicContact CG-CG1 3.8Å; L96-V120 WeakPolarHBondContact CA-O 3.48Å; C97-V120 PolarHBondContact N-O 2.92Å; C97-V120 PolarHBondContact O-N 3.05Å; S99-V120 WeakPolarHBondContact OG-CG2 3.39Å; D118-V120 HydrophobicContact CB-CG2 3.97Å; V120-N133 CarbonylContact C-O 3.48Å; V120-N133 WeakPolarHBondContact CA-O 3.48Å; V120-A134 HydrophobicContact CG1-CB 4.35Å; V120-A134 HydrophobicContact CG2-CB 3.99Å
121L98.8Very high98.3Very high15 Ų1538.1 Ų38.18%0.07919%0.194CC..EExtended strand (participates in β ladder)trans-107.6125.8172.9176.466.1000110.7A14 T95 L96 N133A14-L121 HydrophobicContact CB-CD2 4.11Å; T95-L121 CarbonylContact O-C 3.33Å; T95-L121 WeakPolarHBondContact O-CA 3.2Å; L96-L121 HydrophobicContact CB-CD1 4.36Å; L96-L121 HydrophobicContact CD1-CB 4.06Å; L96-L121 HydrophobicContact CD1-CD1 4.38Å; L121-N133 HydrophobicContact CB-CB 4.48Å; L121-N133 PolarHBondContact N-O 3.37Å; L121-N133 PolarHBondContact O-N 3.14Å; L121-N133 PolarHBondContact O-ND2 2.84Å
122V98.7Very high98.3Very high27 Ų2738.7 Ų38.716%0.16420%0.198CC..EExtended strand (participates in β ladder)trans-88.7126.5166.9177.80000109W65 P70 T95 I130 S131W65-V122 HydrophobicContact CH2-CB 4.42Å; W65-V122 HydrophobicContact CH2-CG1 3.84Å; W65-V122 HydrophobicContact CH2-CG2 3.92Å; W65-V122 HydrophobicContact CZ2-CB 4.2Å; W65-V122 HydrophobicContact CZ2-CG1 3.41Å; W65-V122 VanDerWaalsContact CZ2-CG1 3.41Å; W65-V122 HydrophobicContact CZ2-CG2 3.71Å; P70-V122 HydrophobicContact CG-CG2 3.92Å; T95-V122 WeakPolarHBondContact CB-O 3.18Å; T95-V122 PolarHBondContact O-N 2.89Å; V122-I130 HydrophobicContact CG1-CG2 4.23Å; V122-S131 CarbonylContact C-O 3.36Å; V122-S131 VanDerWaalsContact CA-O 3.31Å; V122-S131 WeakPolarHBondContact CA-O 3.31Å
123K98.3Very high98.3Very high60 Ų6036.5 Ų36.526%0.26118%0.183SC..EExtended strand (participates in β ladder)trans-125.2143.2177.1-162.7166.7-176.7172.30110.7E11 A14 Y125 I130 S131E11-K123 IonicContact OE1-NZ 2.77Å; E11-K123 PolarHBondContact OE1-NZ 3.15Å; E11-K123 IonicContact OE2-NZ 3.59Å; A14-K123 HydrophobicContact CB-CD 4.31Å; K123-Y125 HydrophobicContact CB-CE2 4.31Å; K123-Y125 HydrophobicContact CD-CE1 4.34Å; K123-Y125 HydrophobicContact CG-CE2 4.37Å; K123-I130 CarbonylContact O-C 3.55Å; K123-I130 WeakPolarHBondContact O-CA 3.35Å; K123-S131 PolarHBondContact N-O 3.24Å; K123-S131 PolarHBondContact O-N 3.42Å
124R98.3Very high98.3Very high168 Ų16835.2 Ų35.263%0.63418%0.175SC*.EExtended strand (participates in β ladder)trans-115.8141.6173.7-66.1179.4176.6-91.30.8108.6T129 I130R124-T129 WeakPolarHBondContact CA-O 3.41Å; R124-I130 HydrophobicContact CG-CG1 4.41Å; R124-I130 HydrophobicContact CG-CG2 4.29Å
125Y97.9Very high98.4Very high49 Ų4935.7 Ų35.719%0.19218%0.179CC..  trans-114.6160.6-178.6-58.7-96.2000110.3L18 K123 D127 G128 T129 S131 F159L18-Y125 HydrophobicContact CD1-CE1 4.32Å; L18-Y125 HydrophobicContact CD2-CE1 4.34Å; K123-Y125 HydrophobicContact CB-CE2 4.31Å; K123-Y125 HydrophobicContact CD-CE1 4.34Å; K123-Y125 HydrophobicContact CG-CE2 4.37Å; Y125-D127 VanDerWaalsContact CB-OD1 3.3Å; Y125-D127 WeakPolarHBondContact CB-OD1 3.46Å; Y125-D127 PolarHBondContact O-N 2.9Å; Y125-G128 PolarHBondContact O-N 3.3Å; Y125-T129 HydrophobicContact CD2-CG2 3.84Å; Y125-T129 WeakPolarHBondContact CD2-O 3.33Å; Y125-T129 HydrophobicContact CE2-CG2 4.28Å; Y125-T129 PolarHBondContact N-O 2.71Å; Y125-S131 WeakPolarHBondContact CE2-OG 3.29Å; Y125-S131 PolarHBondContact OH-OG 2.88Å; Y125-F159 HydrophobicContact CE2-CD1 4.31Å; Y125-F159 HydrophobicContact CE2-CE1 4.05Å; Y125-F159 AromaticContact CZ-CE1 3.96Å
126E97.1Very high98.4Very high210 Ų21038.6 Ų38.698%0.98119%0.192SC*.THydrogen-bonded Turntrans-62.9-27.9-176.4-65.2-176.8167.800113.3G128E126-G128 PolarHBondContact O-N 2.88Å
127D95.8Very high98.3Very high106 Ų10639.2 Ų39.257%0.56720%0.196SC*.THydrogen-bonded Turntrans-77.11.5177.267-7.6000113.4Y125 T129 P162Y125-D127 VanDerWaalsContact CB-OD1 3.3Å; Y125-D127 WeakPolarHBondContact CB-OD1 3.46Å; Y125-D127 PolarHBondContact O-N 2.9Å; D127-T129 VanDerWaalsContact CG-OG1 3.25Å; D127-T129 WeakPolarHBondContact OD1-CB 3.48Å; D127-T129 PolarHBondContact OD1-N 2.93Å; D127-T129 PolarHBondContact OD1-OG1 3.05Å; D127-T129 PolarHBondContact OD2-OG1 2.68Å; D127-T129 VanDerWaalsContact OD2-OG1 3.09Å; D127-P162 WeakPolarHBondContact O-CG 3.47Å
128G97.2Very high98.3Very high40 Ų4047 Ų4741%0.41223%0.233SC..SBendtrans88.6-2-176.500000114Y125 E126Y125-G128 PolarHBondContact O-N 3.3Å; E126-G128 PolarHBondContact O-N 2.88Å
129T98.5Very high98.2Very high5 Ų547.5 Ų47.53%0.03124%0.235CC..  trans-62.2140.1175.8-62.10000110.9R124 Y125 D127 F159 C160 E161R124-T129 WeakPolarHBondContact CA-O 3.41Å; Y125-T129 HydrophobicContact CD2-CG2 3.84Å; Y125-T129 WeakPolarHBondContact CD2-O 3.33Å; Y125-T129 HydrophobicContact CE2-CG2 4.28Å; Y125-T129 PolarHBondContact N-O 2.71Å; D127-T129 VanDerWaalsContact CG-OG1 3.25Å; D127-T129 WeakPolarHBondContact OD1-CB 3.48Å; D127-T129 PolarHBondContact OD1-N 2.93Å; D127-T129 PolarHBondContact OD1-OG1 3.05Å; D127-T129 PolarHBondContact OD2-OG1 2.68Å; D127-T129 VanDerWaalsContact OD2-OG1 3.09Å; T129-F159 HydrophobicContact CG2-CB 4.21Å; T129-F159 HydrophobicContact CG2-CD1 3.87Å; T129-C160 WeakPolarHBondContact CA-O 3.43Å; T129-E161 HydrophobicContact CG2-CG 3.78Å
130I98.6Very high98.1Very high2 Ų253.1 Ų53.11%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-118.9129.7171.2-46.4171000108.4W65 V122 K123 R124 C160W65-I130 HydrophobicContact CB-CD1 4.11Å; W65-I130 HydrophobicContact CD2-CB 4.17Å; W65-I130 HydrophobicContact CD2-CD1 4.47Å; W65-I130 HydrophobicContact CD2-CG2 3.53Å; W65-I130 HydrophobicContact CE3-CB 4.15Å; W65-I130 HydrophobicContact CE3-CG2 3.69Å; W65-I130 HydrophobicContact CG-CB 4.5Å; W65-I130 HydrophobicContact CG-CD1 3.96Å; W65-I130 HydrophobicContact CG-CG2 4.13Å; W65-I130 HydrophobicContact CH2-CG2 3.94Å; W65-I130 HydrophobicContact CZ2-CG2 3.81Å; W65-I130 HydrophobicContact CZ3-CG2 3.89Å; V122-I130 HydrophobicContact CG1-CG2 4.23Å; K123-I130 CarbonylContact O-C 3.55Å; K123-I130 WeakPolarHBondContact O-CA 3.35Å; R124-I130 HydrophobicContact CG-CG1 4.41Å; R124-I130 HydrophobicContact CG-CG2 4.29Å; I130-C160 PolarHBondContact N-O 2.79Å; I130-C160 PolarHBondContact O-N 3.11Å
131S98.7Very high98Very high0 Ų059.4 Ų59.40%030%0.304CS..EExtended strand (participates in β ladder)trans-121.8148.117673.20000113.7V122 K123 Y125 N133 C158V122-S131 CarbonylContact C-O 3.36Å; V122-S131 VanDerWaalsContact CA-O 3.31Å; V122-S131 WeakPolarHBondContact CA-O 3.31Å; K123-S131 PolarHBondContact N-O 3.24Å; K123-S131 PolarHBondContact O-N 3.42Å; Y125-S131 WeakPolarHBondContact CE2-OG 3.29Å; Y125-S131 PolarHBondContact OH-OG 2.88Å; S131-N133 PolarHBondContact OG-ND2 3.15Å; S131-N133 PolarHBondContact OG-OD1 3.23Å; S131-C158 CarbonylContact C-O 3.53Å; S131-C158 WeakPolarHBondContact CA-O 3.26Å; S131-C158 WeakPolarHBondContact CB-O 3.29Å
132S98.6Very high98Very high15 Ų1558.8 Ų58.811%0.10530%0.301CS..EExtended strand (participates in β ladder)trans-102.5139.4158.463.20000108.4G157 C158S132-G157 VanDerWaalsContact O-CA 3.25Å; S132-G157 WeakPolarHBondContact O-CA 3.48Å; S132-C158 PolarHBondContact N-O 3.32Å; S132-C158 PolarHBondContact O-N 3.31Å; S132-C158 VanDerWaalsContact O-N 3.16Å; S132-C158 PolarHBondContact OG-N 2.9Å; S132-C158 PolarHBondContact OG-SG 2.92Å
133N98.8Very high97.9Very high1 Ų161.1 Ų61.11%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-134.8114.1-176.9-49.4-90000107.2V13 A14 V120 L121 S131 C156V13-N133 HydrophobicContact CG1-CB 4.17Å; A14-N133 WeakPolarHBondContact CA-OD1 3.35Å; A14-N133 HydrophobicContact CB-CB 3.96Å; V120-N133 CarbonylContact C-O 3.48Å; V120-N133 WeakPolarHBondContact CA-O 3.48Å; L121-N133 HydrophobicContact CB-CB 4.48Å; L121-N133 PolarHBondContact N-O 3.37Å; L121-N133 PolarHBondContact O-N 3.14Å; L121-N133 PolarHBondContact O-ND2 2.84Å; S131-N133 PolarHBondContact OG-ND2 3.15Å; S131-N133 PolarHBondContact OG-OD1 3.23Å; N133-C156 WeakPolarHBondContact CA-O 3.24Å
134A98.8Very high97.9Very high9 Ų962.8 Ų62.87%0.07433%0.334CS..EExtended strand (participates in β ladder)trans-127.8143.7-170.200000112D118 L119 V120 P155 C156D118-A134 HydrophobicContact CB-CB 4.34Å; L119-A134 VanDerWaalsContact O-CA 3.29Å; L119-A134 WeakPolarHBondContact O-CA 3.42Å; V120-A134 HydrophobicContact CG1-CB 4.35Å; V120-A134 HydrophobicContact CG2-CB 3.99Å; A134-P155 CarbonylContact O-C 3.57Å; A134-P155 WeakPolarHBondContact O-CA 3.47Å; A134-C156 PolarHBondContact N-O 2.86Å; A134-C156 PolarHBondContact O-N 2.79Å; A134-C156 PolarHBondContact O-SG 3.09Å; A134-C156 VanDerWaalsContact O-SG 3.4Å
135T98.9Very high97.8Very high14 Ų1458.5 Ų58.59%0.08632%0.32CS..EExtended strand (participates in β ladder)trans-147.3152.2167.7-1650000109.5V13 D118 L119 N153V13-T135 HydrophobicContact CG2-CG2 3.44Å; V13-T135 VanDerWaalsContact CG2-CG2 3.44Å; D118-T135 CarbonylContact C-O 3.59Å; D118-T135 VanDerWaalsContact CA-O 3.24Å; D118-T135 WeakPolarHBondContact CA-O 3.25Å; L119-T135 PolarHBondContact N-O 3.48Å; L119-T135 PolarHBondContact O-N 3.3Å; L119-T135 VanDerWaalsContact O-N 3.09Å; T135-N153 CarbonylContact C-O 3.59Å
136H98.7Very high97.7Very high61 Ų6162.2 Ų62.228%0.28235%0.35SS..EExtended strand (participates in β ladder)trans-62.7149.2179.672.3-83.7000111.1V117 D118 F152 N153V117-H136 CarbonylContact O-C 3.45Å; V117-H136 VanDerWaalsContact O-CA 3.26Å; V117-H136 WeakPolarHBondContact O-CA 3.35Å; D118-H136 WeakPolarHBondContact OD1-CA 3.26Å; H136-F152 HydrophobicContact CB-CB 4.17Å; H136-F152 HydrophobicContact CB-CD1 4.13Å; H136-F152 AromaticContact CD2-CD1 3.61Å; H136-F152 AromaticContact CG-CD1 3.85Å; H136-N153 VanDerWaalsContact CB-O 3.32Å; H136-N153 WeakPolarHBondContact CB-O 3.42Å; H136-N153 PolarHBondContact N-O 2.7Å; H136-N153 PolarHBondContact ND1-O 2.8Å
137V98.4Very high97.7Very high22 Ų2255.4 Ų55.413%0.13334%0.336CS..  trans-146.8147.3168.468.40000110.8M1 M9 V98 V117 L119M1-V137 HydrophobicContact CE-CB 3.98Å; M1-V137 HydrophobicContact CE-CG1 4.09Å; M1-V137 HydrophobicContact CE-CG2 3.1Å; M9-V137 HydrophobicContact CE-CG2 4.28Å; V98-V137 HydrophobicContact CG1-CG1 3.99Å; V98-V137 HydrophobicContact CG2-CG1 4.33Å; V117-V137 HydrophobicContact CG1-CG1 4.33Å; V117-V137 WeakPolarHBondContact CG1-O 3.47Å; V117-V137 PolarHBondContact O-N 3.25Å; L119-V137 HydrophobicContact CB-CG1 4.24Å
138E97.6Very high97.8Very high167 Ų16753.5 Ų53.578%0.7832%0.323SS*.  trans-73.5135.2164.5-64.1-173-178.700110.3
139H97.3Very high97.9Very high16 Ų1653.5 Ų53.57%0.07432%0.315CS..  trans-135.4122.5177.2-164.2-81000110.2I89 Q90 V98 V117 L141 C142I89-H139 WeakPolarHBondContact CG2-ND1 3.47Å; Q90-H139 PolarHBondContact OE1-NE2 2.98Å; Q90-H139 VanDerWaalsContact OE1-NE2 3.11Å; V98-H139 HydrophobicContact CG1-CB 4.3Å; V117-H139 HydrophobicContact CG1-CB 4.02Å; H139-L141 PolarHBondContact ND1-N 2.57Å; H139-L141 PolarHBondContact O-N 2.83Å; H139-L141 VanDerWaalsContact O-N 3.15Å; H139-C142 HydrophobicContact CB-CB 4.45Å; H139-C142 CarbonylContact O-C 3.57Å; H139-C142 PolarHBondContact O-N 3.26Å
140P96.2Very high97.9Very high120 Ų12055 Ų5578%0.77932%0.32SS*.THydrogen-bonded Turntrans-57.8-32-175.9-27.835000114.5C142P140-C142 VanDerWaalsContact C-N 3.25Å; P140-C142 PolarHBondContact O-N 2.92Å
141L97Very high97.9Very high141 Ų14154.9 Ų54.974%0.73832%0.319SS*.THydrogen-bonded Turntrans-79-4.7176.8-56.8-178.7000114I89 H139I89-L141 HydrophobicContact CG2-CB 4.24Å; H139-L141 PolarHBondContact ND1-N 2.57Å; H139-L141 PolarHBondContact O-N 2.83Å; H139-L141 VanDerWaalsContact O-N 3.15Å
142C97.8Very high97.9Very high1 Ų157.8 Ų57.81%0.00733%0.332CS..SBendtrans-135.762.3179.7-164.30000111.8I89 R100 V117 H139 P140 R150I89-C142 HydrophobicContact CD1-CB 4.22Å; I89-C142 HydrophobicContact CG1-CB 4.21Å; I89-C142 HydrophobicContact CG2-CB 4.21Å; R100-C142 WeakPolarHBondContact CD-SG 3.26Å; V117-C142 HydrophobicContact CG2-CB 4.11Å; V117-C142 VanDerWaalsContact CG2-SG 3.54Å; H139-C142 HydrophobicContact CB-CB 4.45Å; H139-C142 CarbonylContact O-C 3.57Å; H139-C142 PolarHBondContact O-N 3.26Å; P140-C142 VanDerWaalsContact C-N 3.25Å; P140-C142 PolarHBondContact O-N 2.92Å; C142-R150 PolarHBondContact O-NH2 3.01Å
143P97.8Very high97.9Very high76 Ų7658 Ų5849%0.49433%0.332SS..PPolyproline II helixtrans-64.1167.5173.431.7-36.4000111.1K145 R150P143-K145 PolarHBondContact O-N 3.04Å; P143-R150 PolarHBondContact O-NH2 2.88Å
144P97.5Very high97.9Very high96 Ų9658.9 Ų58.962%0.62334%0.336SS*.PPolyproline II helixtrans-51.2130.6173-27.135.8000111.7
145K96.1Very high97.9Very high78 Ų7858.8 Ų58.834%0.33934%0.335SS..PPolyproline II helixtrans-100.2143.1-178.3-62.3-154.1-169172.50111.4E87 R100 P143 F148E87-K145 IonicContact OE2-NZ 2.77Å; R100-K145 VanDerWaalsContact CZ-CE 3.49Å; P143-K145 PolarHBondContact O-N 3.04Å; K145-F148 HydrophobicContact CB-CD2 4.31Å; K145-F148 PolarHBondContact O-N 2.92Å
146P97Very high97.9Very high127 Ų12758.7 Ų58.783%0.82533%0.334SS*.THydrogen-bonded Turntrans-53.9140.9172.5-24.833.7000112.1F148P146-F148 VanDerWaalsContact C-N 3.29Å; P146-F148 PolarHBondContact O-N 2.82Å
147G96.5Very high97.9Very high67 Ų6756.4 Ų56.469%0.69133%0.327SS*.THydrogen-bonded Turntrans83.8-4.9-179.800000115.2
148F98.5Very high97.9Very high66 Ų6655.6 Ų55.629%0.28932%0.322SS..  trans-120.5141.7175.8-65.8-86000111.2P113 R114 D115 K145 P146P113-F148 HydrophobicContact CB-CD1 3.62Å; P113-F148 HydrophobicContact CB-CE1 3.68Å; R114-F148 WeakPolarHBondContact O-CD1 3.33Å; D115-F148 HydrophobicContact CB-CB 4.14Å; D115-F148 HydrophobicContact CB-CD1 4.12Å; D115-F148 HydrophobicContact CB-CG 4.16Å; K145-F148 HydrophobicContact CB-CD2 4.31Å; K145-F148 PolarHBondContact O-N 2.92Å; P146-F148 VanDerWaalsContact C-N 3.29Å; P146-F148 PolarHBondContact O-N 2.82Å
149V98.6Very high98Very high40 Ų4047.8 Ų47.824%0.24229%0.286CS..EExtended strand (participates in β ladder)trans-85.1128.8160.8178.10000107.7P113 R114 D115 G151P113-V149 PolarHBondContact O-N 3.4Å; R114-V149 WeakPolarHBondContact CA-O 3.46Å; R114-V149 HydrophobicContact CG-CB 4.2Å; R114-V149 WeakPolarHBondContact CG-O 3.43Å; D115-V149 PolarHBondContact N-O 3.24Å; V149-G151 PolarHBondContact O-N 2.84Å
150R98.8Very high98Very high35 Ų3547 Ų4713%0.13228%0.282CS..EExtended strand (participates in β ladder)trans-69.8112.1172.7175.255.758.994.23.6108.9D115 V117 C142 P143 F152 S181D115-R150 WeakPolarHBondContact O-CD 3.3Å; D115-R150 IonicContact OD1-CZ 3.86Å; D115-R150 IonicContact OD1-NE 3.52Å; D115-R150 PolarHBondContact OD1-NE 3.18Å; D115-R150 IonicContact OD1-NH2 2.89Å; D115-R150 IonicContact OD2-NH2 2.67Å; V117-R150 VanDerWaalsContact CG2-CZ 3.43Å; V117-R150 VanDerWaalsContact CG2-NH1 3.33Å; C142-R150 PolarHBondContact O-NH2 3.01Å; P143-R150 PolarHBondContact O-NH2 2.88Å; R150-F152 HydrophobicContact CG-CE1 3.98Å; R150-F152 HydrophobicContact CG-CE2 4.43Å; R150-F152 HydrophobicContact CG-CZ 3.85Å; R150-S181 WeakPolarHBondContact O-CB 3.34Å
151G98.6Very high98.1Very high0 Ų042.5 Ų42.50%025%0.251CS..  trans-92.3164.4169.200000111.4D115 F116 V149 D179D115-G151 PolarHBondContact O-N 2.66Å; F116-G151 VanDerWaalsContact CD1-C 3.43Å; F116-G151 VanDerWaalsContact CE1-CA 3.47Å; V149-G151 PolarHBondContact O-N 2.84Å; G151-D179 CarbonylContact C-O 3.54Å; G151-D179 VanDerWaalsContact CA-O 3.31Å; G151-D179 WeakPolarHBondContact CA-O 3.22Å
152F98.8Very high98.2Very high61 Ų6138.1 Ų38.127%0.26823%0.231SC..EExtended strand (participates in β ladder)trans-126.5115.3-179.1-55.6-83.1000109.5H136 R150 D179H136-F152 HydrophobicContact CB-CB 4.17Å; H136-F152 HydrophobicContact CB-CD1 4.13Å; H136-F152 AromaticContact CD2-CD1 3.61Å; H136-F152 AromaticContact CG-CD1 3.85Å; R150-F152 HydrophobicContact CG-CE1 3.98Å; R150-F152 HydrophobicContact CG-CE2 4.43Å; R150-F152 HydrophobicContact CG-CZ 3.85Å; F152-D179 HydrophobicContact CB-CB 4.29Å; F152-D179 PolarHBondContact N-O 3.41Å; F152-D179 PolarHBondContact O-N 2.97Å
153N98.8Very high98.1Very high19 Ų1939.7 Ų39.710%0.10224%0.239CC..EExtended strand (participates in β ladder)trans-80.3125164.9-70.2-48.2000108.5F116 D118 T135 H136 T178F116-N153 WeakPolarHBondContact CD1-ND2 3.19Å; D118-N153 WeakPolarHBondContact OD1-CB 3.36Å; D118-N153 PolarHBondContact OD2-ND2 3.39Å; T135-N153 CarbonylContact C-O 3.59Å; H136-N153 VanDerWaalsContact CB-O 3.32Å; H136-N153 WeakPolarHBondContact CB-O 3.42Å; H136-N153 PolarHBondContact N-O 2.7Å; H136-N153 PolarHBondContact ND1-O 2.8Å; N153-T178 WeakPolarHBondContact OD1-CB 3.46Å; N153-T178 WeakPolarHBondContact OD1-CG2 3.32Å; N153-T178 PolarHBondContact OD1-OG1 3.16Å
154H98.8Very high98Very high21 Ų2142.3 Ų42.310%0.09726%0.256CS..  trans-82175.2162.5-67.3-79.5000108.9E45 F46 C156 H177E45-H154 HydrophobicContact CB-CB 3.84Å; E45-H154 VanDerWaalsContact CB-ND1 3.28Å; E45-H154 WeakPolarHBondContact CB-ND1 3.41Å; E45-H154 HydrophobicContact CG-CB 3.95Å; F46-H154 WeakPolarHBondContact CB-NE2 3.4Å; F46-H154 AromaticContact CD1-CD2 3.29Å; F46-H154 WeakPolarHBondContact CD1-CD2 3.2Å; F46-H154 AromaticContact CD1-NE2 3.64Å; F46-H154 AromaticContact CE1-CD2 3.81Å; F46-H154 AromaticContact CG-CD2 3.77Å; F46-H154 AromaticContact CG-NE2 3.64Å; H154-C156 VanDerWaalsContact O-CB 3.27Å; H154-C156 WeakPolarHBondContact O-CB 3.3Å; H154-C156 PolarHBondContact O-N 3.28Å; H154-C156 PolarHBondContact O-SG 3.28Å; H154-H177 HydrophobicContact CB-CB 4.24Å; H154-H177 WeakPolarHBondContact CB-O 3.3Å; H154-H177 PolarHBondContact N-O 3.18Å
155P98.9Very high97.8Very high7 Ų741.5 Ų41.55%0.04527%0.265CS..SBendtrans-44.7113.6-177.8-35.340.1000112.5V13 K16 V17 Y20 A134 H177V13-P155 HydrophobicContact CG1-CB 4.09Å; V13-P155 HydrophobicContact CG1-CG 4.5Å; V13-P155 HydrophobicContact CG2-CG 4.46Å; K16-P155 HydrophobicContact CD-CB 4.18Å; K16-P155 HydrophobicContact CD-CG 3.96Å; K16-P155 HydrophobicContact CG-CB 4.33Å; V17-P155 HydrophobicContact CG2-CB 4.05Å; Y20-P155 HydrophobicContact CE2-CB 4.23Å; Y20-P155 WeakPolarHBondContact CE2-O 3.43Å; A134-P155 CarbonylContact O-C 3.57Å; A134-P155 WeakPolarHBondContact O-CA 3.47Å; P155-H177 WeakPolarHBondContact O-CB 3.27Å; P155-H177 PolarHBondContact O-ND1 3.46Å
156C98.8Very high97.9Very high11 Ų1141.2 Ų41.27%0.07427%0.265CS..EExtended strand (participates in β ladder)trans-150.3178.3-171.366.10000110.6N133 A134 H154 F175 H177N133-C156 WeakPolarHBondContact CA-O 3.24Å; A134-C156 PolarHBondContact N-O 2.86Å; A134-C156 PolarHBondContact O-N 2.79Å; A134-C156 PolarHBondContact O-SG 3.09Å; A134-C156 VanDerWaalsContact O-SG 3.4Å; H154-C156 VanDerWaalsContact O-CB 3.27Å; H154-C156 WeakPolarHBondContact O-CB 3.3Å; H154-C156 PolarHBondContact O-N 3.28Å; H154-C156 PolarHBondContact O-SG 3.28Å; C156-F175 VanDerWaalsContact CB-O 3.3Å; C156-F175 WeakPolarHBondContact CB-O 3.39Å; C156-H177 HydrophobicContact CB-CB 3.82Å
157G98.3Very high97.7Very high13 Ų1339.8 Ų39.813%0.13426%0.255CS..EExtended strand (participates in β ladder)trans144.6-154.9176.900000113.4S132 T174 F175S132-G157 VanDerWaalsContact O-CA 3.25Å; S132-G157 WeakPolarHBondContact O-CA 3.48Å; G157-T174 CarbonylContact O-C 3.59Å; G157-T174 WeakPolarHBondContact O-CA 3.31Å; G157-F175 PolarHBondContact N-O 2.95Å; G157-F175 PolarHBondContact O-N 3.16Å
158C98.3Very high97.7Very high5 Ų541 Ų413%0.03425%0.25CC..EExtended strand (participates in β ladder)trans-144.3155.3179.366.20000112.7S131 S132 L172 V173 T174S131-C158 CarbonylContact C-O 3.53Å; S131-C158 WeakPolarHBondContact CA-O 3.26Å; S131-C158 WeakPolarHBondContact CB-O 3.29Å; S132-C158 PolarHBondContact N-O 3.32Å; S132-C158 PolarHBondContact O-N 3.31Å; S132-C158 VanDerWaalsContact O-N 3.16Å; S132-C158 PolarHBondContact OG-N 2.9Å; S132-C158 PolarHBondContact OG-SG 2.92Å; C158-L172 HydrophobicContact CB-CD1 4.13Å; C158-V173 CarbonylContact C-O 3.56Å; C158-V173 WeakPolarHBondContact CA-O 3.27Å; C158-T174 HydrophobicContact CB-CG2 3.64Å
159F98.8Very high97.6Very high3 Ų340 Ų401%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-115.8121.3168-65.9-94.3000108.7V17 L18 R21 Y125 T129 E161 L172 V173 F175V17-F159 HydrophobicContact CG1-CE2 3.53Å; V17-F159 HydrophobicContact CG1-CZ 3.88Å; L18-F159 HydrophobicContact CB-CZ 4.38Å; L18-F159 HydrophobicContact CD1-CE1 4.04Å; L18-F159 HydrophobicContact CD1-CZ 4.25Å; R21-F159 HydrophobicContact CB-CD2 4.08Å; R21-F159 HydrophobicContact CB-CE2 3.65Å; R21-F159 HydrophobicContact CB-CZ 3.98Å; R21-F159 HydrophobicContact CG-CD2 4.15Å; R21-F159 HydrophobicContact CG-CE2 4.17Å; R21-F159 HydrophobicContact CG-CG 4.39Å; R21-F159 HydrophobicContact CG-CZ 4.44Å; Y125-F159 HydrophobicContact CE2-CD1 4.31Å; Y125-F159 HydrophobicContact CE2-CE1 4.05Å; Y125-F159 AromaticContact CZ-CE1 3.96Å; T129-F159 HydrophobicContact CG2-CB 4.21Å; T129-F159 HydrophobicContact CG2-CD1 3.87Å; F159-E161 HydrophobicContact CB-CG 3.89Å; F159-L172 WeakPolarHBondContact O-CA 3.37Å; F159-V173 HydrophobicContact CB-CB 4.44Å; F159-V173 PolarHBondContact N-O 3.05Å; F159-V173 PolarHBondContact O-N 3.48Å; F159-F175 HydrophobicContact CD2-CD2 4.44Å; F159-F175 AromaticContact CD2-CE2 3.86Å; F159-F175 HydrophobicContact CD2-CE2 3.86Å; F159-F175 HydrophobicContact CE2-CD2 4.26Å; F159-F175 AromaticContact CE2-CE2 3.72Å; F159-F175 HydrophobicContact CE2-CE2 3.72Å
160C98.8Very high97.6Very high0 Ų038.1 Ų38.10%023%0.234CC..EExtended strand (participates in β ladder)trans-98.5101.1168.2-59.40000107.2T129 I130 T170T129-C160 WeakPolarHBondContact CA-O 3.43Å; I130-C160 PolarHBondContact N-O 2.79Å; I130-C160 PolarHBondContact O-N 3.11Å; C160-T170 HydrophobicContact CB-CG2 3.94Å
161E98.6Very high97.6Very high26 Ų2637.7 Ų37.712%0.12123%0.234CC..EExtended strand (participates in β ladder)trans-105.4128.1-171.5-53.3175160.400109.6R21 T129 F159 N171R21-E161 IonicContact CZ-OE1 2.57Å; R21-E161 IonicContact CZ-OE2 3.75Å; R21-E161 IonicContact NE-OE1 3.62Å; R21-E161 PolarHBondContact NE-OE1 3.47Å; R21-E161 IonicContact NE-OE2 3.6Å; R21-E161 IonicContact NH2-OE1 2.92Å; R21-E161 PolarHBondContact NH2-OE1 2.88Å; R21-E161 IonicContact NH2-OE2 3.71Å; R21-E161 PolarHBondContact NH2-OE2 2.92Å; T129-E161 HydrophobicContact CG2-CG 3.78Å; F159-E161 HydrophobicContact CB-CG 3.89Å; E161-N171 HydrophobicContact CB-CB 4.18Å; E161-N171 WeakPolarHBondContact CB-O 3.48Å; E161-N171 PolarHBondContact N-O 2.8Å; E161-N171 PolarHBondContact O-N 2.81Å; E161-N171 PolarHBondContact OE2-ND2 2.76Å
162P98.1Very high97.6Very high48 Ų4837.7 Ų37.731%0.31223%0.234SC..EExtended strand (participates in β ladder)trans-64.4141.2173.125.1-30.6000110.9P61 D127P61-P162 HydrophobicContact CG-CB 3.97Å; D127-P162 WeakPolarHBondContact O-CG 3.47Å
163L96.3Very high97.6Very high34 Ų3434.8 Ų34.818%0.17822%0.222CC..PPolyproline II helixtrans-90.9122.8170.8-79.892.6000110.6I56 G165 E166 K169 N171I56-L163 HydrophobicContact CD1-CD2 4.02Å; I56-L163 HydrophobicContact CG1-CD2 4.41Å; L163-G165 PolarHBondContact O-N 3.36Å; L163-E166 HydrophobicContact CB-CB 3.97Å; L163-E166 PolarHBondContact O-N 3.21Å; L163-K169 HydrophobicContact CD1-CB 4.11Å; L163-K169 WeakPolarHBondContact CD1-O 3.06Å; L163-N171 HydrophobicContact CD1-CB 3.83Å; L163-N171 HydrophobicContact CG-CB 4.42Å
164P94.3Very high97.6Very high131 Ų13134 Ų3485%0.85122%0.218SC*.THydrogen-bonded Turntrans-55.7124174.4-26.435.2000111.9E166P164-E166 VanDerWaalsContact C-N 3.27Å; P164-E166 PolarHBondContact O-N 3.44Å
165G95Very high97.6Very high79 Ų7933.1 Ų33.181%0.81421%0.213SC*.THydrogen-bonded Turntrans80.2-3.7-179.800000115.4L163L163-G165 PolarHBondContact O-N 3.36Å
166E96.6Very high97.6Very high72 Ų7234.5 Ų34.534%0.33622%0.218SC..  trans-129.368.7-179.2-56.1-163.6138.200111.4L163 P164 T168 K169L163-E166 HydrophobicContact CB-CB 3.97Å; L163-E166 PolarHBondContact O-N 3.21Å; P164-E166 VanDerWaalsContact C-N 3.27Å; P164-E166 PolarHBondContact O-N 3.44Å; E166-T168 PolarHBondContact O-N 3.11Å; E166-K169 HydrophobicContact CB-CB 4.3Å; E166-K169 HydrophobicContact CB-CD 4.22Å; E166-K169 PolarHBondContact O-N 3.49Å; E166-K169 IonicContact OE1-NZ 2.87Å; E166-K169 PolarHBondContact OE1-NZ 3.25Å; E166-K169 WeakPolarHBondContact OE2-CD 3.44Å; E166-K169 IonicContact OE2-NZ 3.54Å; E166-K169 PolarHBondContact OE2-NZ 3.29Å
167P93.9Very high97.6Very high97 Ų9734 Ų3463%0.6322%0.215SC*.THydrogen-bonded Turntrans-64.7-16.9-171.927.2-36.3000114.6K169P167-K169 VanDerWaalsContact C-N 3.29Å
168T95.6Very high97.6Very high93 Ų9334.1 Ų34.157%0.57121%0.213SC*.THydrogen-bonded Turntrans-91.913.7176.865.40000112.7Y58 G59 E166Y58-T168 CarbonylContact C-O 3.44Å; G59-T168 CarbonylContact C-O 3.6Å; G59-T168 PolarHBondContact N-O 2.83Å; G59-T168 CarbonylContact O-C 3.44Å; E166-T168 PolarHBondContact O-N 3.11Å
169K97.7Very high97.6Very high46 Ų4636.2 Ų36.220%0.222%0.224CC..  trans-136.9148177.9-63.1178.5-163.5166.70110.1I56 V57 Y58 G59 L163 E166 P167I56-K169 HydrophobicContact CG2-CB 3.98Å; I56-K169 HydrophobicContact CG2-CD 4.06Å; I56-K169 HydrophobicContact CG2-CG 4.31Å; V57-K169 WeakPolarHBondContact O-CA 3.42Å; Y58-K169 HydrophobicContact CD1-CD 4.29Å; Y58-K169 HydrophobicContact CD1-CG 4.07Å; Y58-K169 HydrophobicContact CE1-CD 4.22Å; G59-K169 CarbonylContact O-C 3.57Å; G59-K169 WeakPolarHBondContact O-CA 3.25Å; G59-K169 PolarHBondContact O-N 3.11Å; L163-K169 HydrophobicContact CD1-CB 4.11Å; L163-K169 WeakPolarHBondContact CD1-O 3.06Å; E166-K169 HydrophobicContact CB-CB 4.3Å; E166-K169 HydrophobicContact CB-CD 4.22Å; E166-K169 PolarHBondContact O-N 3.49Å; E166-K169 IonicContact OE1-NZ 2.87Å; E166-K169 PolarHBondContact OE1-NZ 3.25Å; E166-K169 WeakPolarHBondContact OE2-CD 3.44Å; E166-K169 IonicContact OE2-NZ 3.54Å; E166-K169 PolarHBondContact OE2-NZ 3.29Å; P167-K169 VanDerWaalsContact C-N 3.29Å
170T98.6Very high97.6Very high0 Ų036.5 Ų36.50%023%0.226CC..EExtended strand (participates in β ladder)trans-130.3132.8-179.1-57.10000109.6I56 V57 G59 T60 P61 V64 C160 L172I56-T170 WeakPolarHBondContact CA-O 3.36Å; V57-T170 PolarHBondContact N-O 2.95Å; V57-T170 PolarHBondContact O-N 2.8Å; G59-T170 PolarHBondContact O-N 3.04Å; G59-T170 PolarHBondContact O-OG1 3.38Å; T60-T170 PolarHBondContact O-OG1 2.91Å; P61-T170 VanDerWaalsContact CA-OG1 3.26Å; P61-T170 WeakPolarHBondContact CA-OG1 3.16Å; P61-T170 HydrophobicContact CB-CG2 4.44Å; V64-T170 HydrophobicContact CB-CG2 4.23Å; V64-T170 HydrophobicContact CG1-CG2 4.28Å; V64-T170 HydrophobicContact CG2-CG2 4.33Å; C160-T170 HydrophobicContact CB-CG2 3.94Å; T170-L172 PolarHBondContact O-N 3.06Å
171N98.6Very high97.5Very high26 Ų2638.4 Ų38.414%0.13924%0.239CC..EExtended strand (participates in β ladder)trans-85.1112.7171.7-178.347.6000106.6E161 L163E161-N171 HydrophobicContact CB-CB 4.18Å; E161-N171 WeakPolarHBondContact CB-O 3.48Å; E161-N171 PolarHBondContact N-O 2.8Å; E161-N171 PolarHBondContact O-N 2.81Å; E161-N171 PolarHBondContact OE2-ND2 2.76Å; L163-N171 HydrophobicContact CD1-CB 3.83Å; L163-N171 HydrophobicContact CG-CB 4.42Å
172L98.8Very high97.3Very high0 Ų039.2 Ų39.20%025%0.254CS..EExtended strand (participates in β ladder)trans-102.6116.5-179.8-179.273.3000109.5E54 G55 V57 V64 C158 F159 T170 T174 F200 Y201 L204E54-L172 WeakPolarHBondContact CA-O 3.48Å; G55-L172 PolarHBondContact N-O 3.1Å; G55-L172 VanDerWaalsContact N-O 3.13Å; G55-L172 PolarHBondContact O-N 3.27Å; V57-L172 HydrophobicContact CG2-CB 3.89Å; V57-L172 HydrophobicContact CG2-CD2 4.07Å; V64-L172 HydrophobicContact CG1-CD1 4.31Å; C158-L172 HydrophobicContact CB-CD1 4.13Å; F159-L172 WeakPolarHBondContact O-CA 3.37Å; T170-L172 PolarHBondContact O-N 3.06Å; L172-T174 HydrophobicContact CD1-CG2 4.12Å; L172-T174 HydrophobicContact CD2-CG2 4.01Å; L172-T174 HydrophobicContact CG-CG2 3.85Å; L172-F200 HydrophobicContact CD2-CE1 3.96Å; L172-F200 HydrophobicContact CD2-CZ 4.33Å; L172-Y201 HydrophobicContact CB-CE1 4.07Å; L172-Y201 HydrophobicContact CD2-CD1 4.3Å; L172-Y201 HydrophobicContact CD2-CE1 3.77Å; L172-Y201 HydrophobicContact CG-CE1 4.1Å; L172-Y201 WeakPolarHBondContact O-CE1 3.42Å; L172-Y201 PolarHBondContact O-OH 3.49Å; L172-L204 HydrophobicContact CD2-CD2 3.18Å
173V98.7Very high97.1Very high0 Ų048.5 Ų48.50%029%0.285CS..EExtended strand (participates in β ladder)trans-109.9125.8170.8-171.10000109R52 G53 E54 C158 F159 F175R52-V173 HydrophobicContact CG-CG1 4.23Å; G53-V173 CarbonylContact O-C 3.6Å; G53-V173 WeakPolarHBondContact O-CA 3.3Å; E54-V173 HydrophobicContact CB-CG2 4.4Å; E54-V173 HydrophobicContact CG-CG2 4.04Å; C158-V173 CarbonylContact C-O 3.56Å; C158-V173 WeakPolarHBondContact CA-O 3.27Å; F159-V173 HydrophobicContact CB-CB 4.44Å; F159-V173 PolarHBondContact N-O 3.05Å; F159-V173 PolarHBondContact O-N 3.48Å; V173-F175 HydrophobicContact CG1-CE2 3.88Å; V173-F175 HydrophobicContact CG1-CZ 3.76Å
174T98.7Very high97.1Very high3 Ų348.6 Ų48.62%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-124.3146.1-178.455.80000111.5R52 G53 G157 C158 L172 M197 F200 Y201R52-T174 CarbonylContact C-O 3.5Å; R52-T174 WeakPolarHBondContact CA-O 3.23Å; G53-T174 PolarHBondContact N-O 3.21Å; G53-T174 PolarHBondContact O-N 2.84Å; G157-T174 CarbonylContact O-C 3.59Å; G157-T174 WeakPolarHBondContact O-CA 3.31Å; C158-T174 HydrophobicContact CB-CG2 3.64Å; L172-T174 HydrophobicContact CD1-CG2 4.12Å; L172-T174 HydrophobicContact CD2-CG2 4.01Å; L172-T174 HydrophobicContact CG-CG2 3.85Å; T174-M197 PolarHBondContact OG1-SD 2.88Å; T174-F200 HydrophobicContact CG2-CD1 4.49Å; T174-F200 HydrophobicContact CG2-CE1 3.55Å; T174-F200 HydrophobicContact CG2-CZ 4Å; T174-Y201 HydrophobicContact CG2-CE2 4.46Å; T174-Y201 PolarHBondContact N-OH 3.03Å; T174-Y201 VanDerWaalsContact OG1-CE2 3.3Å; T174-Y201 WeakPolarHBondContact OG1-CE2 3.42Å; T174-Y201 PolarHBondContact OG1-OH 3.15Å
175F98.8Very high97.1Very high2 Ų246 Ų461%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-122.6116.8178.5-63.7-76.5000109.1V17 Y20 R21 W27 L50 Y51 R52 C156 G157 F159 V173V17-F175 HydrophobicContact CG1-CD2 4.02Å; V17-F175 HydrophobicContact CG1-CE2 4.45Å; Y20-F175 HydrophobicContact CD2-CD1 4.45Å; R21-F175 HydrophobicContact CB-CE2 4.2Å; R21-F175 HydrophobicContact CB-CZ 4.15Å; W27-F175 HydrophobicContact CH2-CD1 4.13Å; W27-F175 AromaticContact CH2-CE1 3.92Å; W27-F175 HydrophobicContact CH2-CE1 3.92Å; W27-F175 HydrophobicContact CZ2-CE1 4.05Å; L50-F175 HydrophobicContact CD1-CB 4.16Å; L50-F175 HydrophobicContact CD1-CD1 4.24Å; Y51-F175 CarbonylContact O-C 3.56Å; Y51-F175 VanDerWaalsContact O-CA 3.27Å; Y51-F175 WeakPolarHBondContact O-CA 3.4Å; R52-F175 HydrophobicContact CB-CD1 4.12Å; R52-F175 HydrophobicContact CB-CE1 3.92Å; R52-F175 HydrophobicContact CG-CD1 4.29Å; R52-F175 HydrophobicContact CG-CE1 3.71Å; R52-F175 HydrophobicContact CG-CZ 4.29Å; C156-F175 VanDerWaalsContact CB-O 3.3Å; C156-F175 WeakPolarHBondContact CB-O 3.39Å; G157-F175 PolarHBondContact N-O 2.95Å; G157-F175 PolarHBondContact O-N 3.16Å; F159-F175 HydrophobicContact CD2-CD2 4.44Å; F159-F175 AromaticContact CD2-CE2 3.86Å; F159-F175 HydrophobicContact CD2-CE2 3.86Å; F159-F175 HydrophobicContact CE2-CD2 4.26Å; F159-F175 AromaticContact CE2-CE2 3.72Å; F159-F175 HydrophobicContact CE2-CE2 3.72Å; V173-F175 HydrophobicContact CG1-CE2 3.88Å; V173-F175 HydrophobicContact CG1-CZ 3.76Å
176F98.7Very high96.9Very high35 Ų3546.5 Ų46.515%0.15425%0.249CC..EExtended strand (participates in β ladder)trans-100.7118.2168.2-69.7-3.5000108.1Y51 F193 M197 F200Y51-F176 PolarHBondContact N-O 2.85Å; Y51-F176 PolarHBondContact O-N 2.88Å; F176-F193 HydrophobicContact CD2-CD1 4.41Å; F176-M197 HydrophobicContact CB-CE 3.75Å; F176-M197 HydrophobicContact CD1-CE 3.75Å; F176-M197 HydrophobicContact CD1-SD 4.27Å; F176-M197 HydrophobicContact CD2-CE 3.47Å; F176-M197 VanDerWaalsContact CD2-CE 3.47Å; F176-M197 HydrophobicContact CD2-SD 3.96Å; F176-M197 HydrophobicContact CE1-CE 4.17Å; F176-M197 HydrophobicContact CE1-SD 4.07Å; F176-M197 HydrophobicContact CE2-CB 4.4Å; F176-M197 HydrophobicContact CE2-CE 3.93Å; F176-M197 HydrophobicContact CE2-SD 3.76Å; F176-M197 HydrophobicContact CG-CE 3.36Å; F176-M197 HydrophobicContact CG-SD 4.21Å; F176-M197 HydrophobicContact CZ-CE 4.26Å; F176-M197 HydrophobicContact CZ-SD 3.81Å; F176-F200 HydrophobicContact CZ-CB 4.24Å; F176-F200 HydrophobicContact CZ-CD1 4.48Å; F176-F200 HydrophobicContact CZ-CD2 4.33Å; F176-F200 HydrophobicContact CZ-CG 4.07Å
177H98.7Very high96.7Very high1 Ų148 Ų481%0.00526%0.26CS..  trans-130.957.9-175.3-156.4-175.2000109.6Y20 S43 E45 F46 L50 H154 P155 C156Y20-H177 PolarHBondContact OH-CE1 3.23Å; S43-H177 VanDerWaalsContact CB-NE2 3.29Å; S43-H177 WeakPolarHBondContact CB-NE2 3.44Å; S43-H177 PolarHBondContact OG-NE2 3.35Å; E45-H177 WeakPolarHBondContact CG-CE1 3.33Å; F46-H177 AromaticContact CE1-CD2 3.6Å; F46-H177 AromaticContact CE1-NE2 3.96Å; L50-H177 HydrophobicContact CD1-CB 3.67Å; H154-H177 HydrophobicContact CB-CB 4.24Å; H154-H177 WeakPolarHBondContact CB-O 3.3Å; H154-H177 PolarHBondContact N-O 3.18Å; P155-H177 WeakPolarHBondContact O-CB 3.27Å; P155-H177 PolarHBondContact O-ND1 3.46Å; C156-H177 HydrophobicContact CB-CB 3.82Å
178T98.6Very high96.8Very high16 Ų1644.6 Ų44.610%0.09824%0.237CC..EExtended strand (participates in β ladder)trans-110.7118.9-160.2-56.10000110.6F116 N153 L180 F193F116-T178 HydrophobicContact CD1-CG2 4.39Å; F116-T178 HydrophobicContact CE1-CG2 3.38Å; F116-T178 HydrophobicContact CZ-CG2 3.6Å; N153-T178 WeakPolarHBondContact OD1-CB 3.46Å; N153-T178 WeakPolarHBondContact OD1-CG2 3.32Å; N153-T178 PolarHBondContact OD1-OG1 3.16Å; T178-L180 HydrophobicContact CG2-CD2 3.97Å; T178-F193 HydrophobicContact CG2-CE1 4.29Å; T178-F193 HydrophobicContact CG2-CZ 4.08Å; T178-F193 VanDerWaalsContact O-CZ 3.31Å; T178-F193 WeakPolarHBondContact O-CZ 3.38Å
179D98.4Very high96.8Very high48 Ų4841 Ų4126%0.25722%0.215SC..EExtended strand (participates in β ladder)trans-83.9110.9161.1-176.82.3000108.7F46 G151 F152 S181F46-D179 HydrophobicContact CD2-CB 3.71Å; F46-D179 HydrophobicContact CE2-CB 3.78Å; F46-D179 HydrophobicContact CG-CB 4.27Å; F46-D179 HydrophobicContact CZ-CB 4.41Å; G151-D179 CarbonylContact C-O 3.54Å; G151-D179 VanDerWaalsContact CA-O 3.31Å; G151-D179 WeakPolarHBondContact CA-O 3.22Å; F152-D179 HydrophobicContact CB-CB 4.29Å; F152-D179 PolarHBondContact N-O 3.41Å; F152-D179 PolarHBondContact O-N 2.97Å; D179-S181 PolarHBondContact O-N 2.91Å; D179-S181 WeakPolarHBondContact OD1-CA 3.47Å; D179-S181 PolarHBondContact OD1-N 3.49Å
180L98.2Very high96.5Very high9 Ų941.8 Ų41.85%0.04722%0.221CC..  trans-72.4-12.4177.7-69.1178000113.1I111 R114 F116 T178 L184 V189 F192 F193I111-L180 HydrophobicContact CD1-CD1 3.98Å; I111-L180 HydrophobicContact CG2-CD1 4.28Å; R114-L180 HydrophobicContact CG-CD2 4.41Å; R114-L180 PolarHBondContact NE-O 3.37Å; F116-L180 HydrophobicContact CZ-CD2 4.16Å; T178-L180 HydrophobicContact CG2-CD2 3.97Å; L180-L184 HydrophobicContact CB-CD1 3.7Å; L180-L184 HydrophobicContact CD1-CD1 3.87Å; L180-L184 HydrophobicContact CG-CD1 4.46Å; L180-V189 HydrophobicContact CD1-CG1 4.36Å; L180-V189 HydrophobicContact CD1-CG2 4.4Å; L180-F192 HydrophobicContact CD1-CD1 4.19Å; L180-F192 HydrophobicContact CD1-CE1 4.48Å; L180-F193 HydrophobicContact CD1-CE2 4.33Å; L180-F193 HydrophobicContact CD1-CZ 4.08Å; L180-F193 HydrophobicContact CD2-CZ 4.25Å; L180-F193 HydrophobicContact CG-CE2 4.4Å; L180-F193 HydrophobicContact CG-CZ 3.86Å
181S96.9Very high96.3Very high41 Ų4144.8 Ų44.829%0.28724%0.243SC..  trans50.2-171.1-176-159.40000113.8R114 R150 D179R114-S181 PolarHBondContact NH2-O 2.77Å; R150-S181 WeakPolarHBondContact O-CB 3.34Å; D179-S181 PolarHBondContact O-N 2.91Å; D179-S181 WeakPolarHBondContact OD1-CA 3.47Å; D179-S181 PolarHBondContact OD1-N 3.49Å
182G94.2Very high96.3Very high42 Ų4245 Ų4543%0.43324%0.243SC..SBendtrans67.6-160.7-175.700000113.1L184G182-L184 PolarHBondContact O-N 3.32Å
183Y94.1Very high96.2Very high243 Ų24345.4 Ų45.495%0.95324%0.244SC*.SBendtrans-101.365.4-172.7-57.5-77.9000111.3
184L95.9Very high96.1Very high37 Ų3746 Ų4619%0.19425%0.248CC..  trans-97.9131.6178.6-68.8179000111.6L110 I111 R114 L180 G182 V189L110-L184 WeakPolarHBondContact O-CD2 3.33Å; I111-L184 HydrophobicContact CG1-CD1 4.15Å; I111-L184 HydrophobicContact CG1-CD2 4.18Å; R114-L184 VanDerWaalsContact NH2-CD1 3.35Å; L180-L184 HydrophobicContact CB-CD1 3.7Å; L180-L184 HydrophobicContact CD1-CD1 3.87Å; L180-L184 HydrophobicContact CG-CD1 4.46Å; G182-L184 PolarHBondContact O-N 3.32Å; L184-V189 HydrophobicContact CB-CG2 3.89Å; L184-V189 HydrophobicContact CD1-CG2 4.02Å
185P94.1Very high96Very high75 Ų7552.2 Ų52.249%0.48727%0.271SS..  trans-61.4135.3166.5-24.536.1000111.4N187 V188 V189P185-N187 VanDerWaalsContact C-N 3.25Å; P185-N187 WeakPolarHBondContact CB-OD1 3.32Å; P185-N187 PolarHBondContact O-N 3.47Å; P185-V188 HydrophobicContact CB-CG2 4.16Å; P185-V188 HydrophobicContact CG-CG2 4.38Å; P185-V188 WeakPolarHBondContact O-CB 3.4Å; P185-V188 PolarHBondContact O-N 2.91Å; P185-V189 PolarHBondContact O-N 2.9Å
186Q90.8Very high95.9Very high90 Ų9052.4 Ų52.442%0.42127%0.273SS..Hα-helixtrans-56.5-38.1-175.8-170.861.244.700112.9V188 V189 D190Q186-V188 VanDerWaalsContact C-N 3.26Å; Q186-V188 PolarHBondContact O-N 3.03Å; Q186-V189 WeakPolarHBondContact O-CB 3.31Å; Q186-V189 PolarHBondContact O-N 3.44Å; Q186-V189 VanDerWaalsContact O-N 3.11Å; Q186-D190 WeakPolarHBondContact CG-OD2 3.29Å; Q186-D190 PolarHBondContact NE2-OD1 3.07Å; Q186-D190 WeakPolarHBondContact O-CB 3.45Å; Q186-D190 VanDerWaalsContact O-CG 3.29Å; Q186-D190 PolarHBondContact O-N 3.33Å
187N92.8Very high95.8Very high105 Ų10550.8 Ų50.856%0.56127%0.266SS*.Hα-helixtrans-62.1-30.2178.365.2-20.7000113.6P185 S191P185-N187 VanDerWaalsContact C-N 3.25Å; P185-N187 WeakPolarHBondContact CB-OD1 3.32Å; P185-N187 PolarHBondContact O-N 3.47Å; N187-S191 VanDerWaalsContact O-CB 3.25Å; N187-S191 WeakPolarHBondContact O-CB 3.39Å; N187-S191 PolarHBondContact O-N 3.46Å; N187-S191 VanDerWaalsContact O-N 3.1Å; N187-S191 PolarHBondContact O-OG 3.46Å
188V96Very high95.8Very high24 Ų2452.8 Ų52.815%0.14528%0.278CS..Hα-helixtrans-68.5-45.2174.6175.20000109.6A107 L110 I111 P185 Q186 S191 F192A107-V188 HydrophobicContact CB-CG1 4.15Å; L110-V188 HydrophobicContact CB-CG1 4.19Å; L110-V188 HydrophobicContact CD1-CG1 4.5Å; L110-V188 HydrophobicContact CD1-CG2 4.18Å; I111-V188 HydrophobicContact CD1-CG1 4.03Å; I111-V188 HydrophobicContact CG1-CG1 3.86Å; P185-V188 HydrophobicContact CB-CG2 4.16Å; P185-V188 HydrophobicContact CG-CG2 4.38Å; P185-V188 WeakPolarHBondContact O-CB 3.4Å; P185-V188 PolarHBondContact O-N 2.91Å; Q186-V188 VanDerWaalsContact C-N 3.26Å; Q186-V188 PolarHBondContact O-N 3.03Å; V188-S191 PolarHBondContact O-N 3.4Å; V188-F192 WeakPolarHBondContact O-CB 3.37Å; V188-F192 PolarHBondContact O-N 2.93Å; V188-F192 VanDerWaalsContact O-N 3.11Å
189V95.5Very high95.7Very high19 Ų1958.2 Ų58.212%0.11530%0.297CS..Hα-helixtrans-63.8-49.8178.2-176.90000110.8L180 L184 P185 Q186 S191 F192 F193L180-V189 HydrophobicContact CD1-CG1 4.36Å; L180-V189 HydrophobicContact CD1-CG2 4.4Å; L184-V189 HydrophobicContact CB-CG2 3.89Å; L184-V189 HydrophobicContact CD1-CG2 4.02Å; P185-V189 PolarHBondContact O-N 2.9Å; Q186-V189 WeakPolarHBondContact O-CB 3.31Å; Q186-V189 PolarHBondContact O-N 3.44Å; Q186-V189 VanDerWaalsContact O-N 3.11Å; V189-S191 VanDerWaalsContact C-N 3.27Å; V189-S191 PolarHBondContact O-N 3.3Å; V189-F192 WeakPolarHBondContact O-CB 3.32Å; V189-F192 PolarHBondContact O-N 3.07Å; V189-F193 HydrophobicContact CG1-CD2 3.69Å; V189-F193 HydrophobicContact CG1-CE2 3.33Å; V189-F193 HydrophobicContact CG1-CZ 4.45Å; V189-F193 WeakPolarHBondContact O-CD2 3.39Å; V189-F193 PolarHBondContact O-N 3.45Å
190D92.2Very high95.7Very high61 Ų6156.1 Ų56.133%0.32629%0.285SS..Hα-helixtrans-64-31.4-178.6-69.5-14.3000112.7N49 Q186 P194N49-D190 PolarHBondContact ND2-OD1 2.86Å; Q186-D190 WeakPolarHBondContact CG-OD2 3.29Å; Q186-D190 PolarHBondContact NE2-OD1 3.07Å; Q186-D190 WeakPolarHBondContact O-CB 3.45Å; Q186-D190 VanDerWaalsContact O-CG 3.29Å; Q186-D190 PolarHBondContact O-N 3.33Å; D190-P194 WeakPolarHBondContact O-CD 3.45Å; D190-P194 WeakPolarHBondContact O-CG 3.48Å
191S94.6Very high95.7Very high64 Ų6455.7 Ų55.745%0.44828%0.283SS..Hα-helixtrans-77.6-28.2175.4-63.30000112.9N187 V188 V189N187-S191 VanDerWaalsContact O-CB 3.25Å; N187-S191 WeakPolarHBondContact O-CB 3.39Å; N187-S191 PolarHBondContact O-N 3.46Å; N187-S191 VanDerWaalsContact O-N 3.1Å; N187-S191 PolarHBondContact O-OG 3.46Å; V188-S191 PolarHBondContact O-N 3.4Å; V189-S191 VanDerWaalsContact C-N 3.27Å; V189-S191 PolarHBondContact O-N 3.3Å
192F97.1Very high95.7Very high31 Ų3155.6 Ų55.614%0.13629%0.285CS..Hα-helixtrans-74.9-54.3-175.8168.8-107.4000111.9A106 I111 L180 V188 V189 R195 S196A106-F192 HydrophobicContact CB-CD2 4.01Å; A106-F192 HydrophobicContact CB-CE2 3.52Å; A106-F192 HydrophobicContact CB-CZ 4.19Å; I111-F192 HydrophobicContact CD1-CB 3.88Å; I111-F192 HydrophobicContact CD1-CD1 4.13Å; I111-F192 HydrophobicContact CD1-CD2 4.07Å; I111-F192 HydrophobicContact CD1-CG 3.75Å; L180-F192 HydrophobicContact CD1-CD1 4.19Å; L180-F192 HydrophobicContact CD1-CE1 4.48Å; V188-F192 WeakPolarHBondContact O-CB 3.37Å; V188-F192 PolarHBondContact O-N 2.93Å; V188-F192 VanDerWaalsContact O-N 3.11Å; V189-F192 WeakPolarHBondContact O-CB 3.32Å; V189-F192 PolarHBondContact O-N 3.07Å; F192-R195 PolarHBondContact O-N 3.11Å; F192-R195 VanDerWaalsContact O-N 3.15Å; F192-S196 WeakPolarHBondContact O-CB 3.41Å; F192-S196 PolarHBondContact O-N 3.13Å
193F97.2Very high95.9Very high7 Ų754.9 Ų54.93%0.03127%0.271CS..Hα-helixtrans-61.7-44.4-168.5-76.2-62000115.2Y51 F176 T178 L180 V189 R195 S196 M197Y51-F193 HydrophobicContact CD1-CB 4.01Å; Y51-F193 HydrophobicContact CD2-CB 3.61Å; Y51-F193 HydrophobicContact CD2-CD1 4.49Å; Y51-F193 HydrophobicContact CD2-CD2 4.06Å; Y51-F193 AromaticContact CD2-CG 3.84Å; Y51-F193 HydrophobicContact CD2-CG 3.84Å; Y51-F193 HydrophobicContact CE1-CB 3.82Å; Y51-F193 HydrophobicContact CE2-CB 3.39Å; Y51-F193 AromaticContact CE2-CD2 3.38Å; Y51-F193 HydrophobicContact CE2-CD2 3.38Å; Y51-F193 HydrophobicContact CE2-CE2 4.26Å; Y51-F193 AromaticContact CE2-CG 3.56Å; Y51-F193 HydrophobicContact CE2-CG 3.56Å; Y51-F193 HydrophobicContact CG-CB 3.92Å; Y51-F193 AromaticContact CZ-CD2 3.96Å; F176-F193 HydrophobicContact CD2-CD1 4.41Å; T178-F193 HydrophobicContact CG2-CE1 4.29Å; T178-F193 HydrophobicContact CG2-CZ 4.08Å; T178-F193 VanDerWaalsContact O-CZ 3.31Å; T178-F193 WeakPolarHBondContact O-CZ 3.38Å; L180-F193 HydrophobicContact CD1-CE2 4.33Å; L180-F193 HydrophobicContact CD1-CZ 4.08Å; L180-F193 HydrophobicContact CD2-CZ 4.25Å; L180-F193 HydrophobicContact CG-CE2 4.4Å; L180-F193 HydrophobicContact CG-CZ 3.86Å; V189-F193 HydrophobicContact CG1-CD2 3.69Å; V189-F193 HydrophobicContact CG1-CE2 3.33Å; V189-F193 HydrophobicContact CG1-CZ 4.45Å; V189-F193 WeakPolarHBondContact O-CD2 3.39Å; V189-F193 PolarHBondContact O-N 3.45Å; F193-R195 VanDerWaalsContact C-N 3.27Å; F193-R195 PolarHBondContact O-N 3Å; F193-S196 WeakPolarHBondContact O-CB 3.29Å; F193-S196 PolarHBondContact O-N 3.11Å; F193-M197 PolarHBondContact O-N 3.45Å
194P96.7Very high96.1Very high13 Ų1343.3 Ų43.38%0.08423%0.226CC..Hα-helixtrans-59.1-38.9176-26.636.2000112.8R31 Y51 D190 T198R31-P194 HydrophobicContact CG-CB 4.18Å; Y51-P194 HydrophobicContact CD1-CG 4.35Å; Y51-P194 HydrophobicContact CE1-CG 3.84Å; D190-P194 WeakPolarHBondContact O-CD 3.45Å; D190-P194 WeakPolarHBondContact O-CG 3.48Å; P194-T198 WeakPolarHBondContact O-CG2 3.46Å; P194-T198 PolarHBondContact O-N 2.87Å; P194-T198 PolarHBondContact O-OG1 3.45Å
195R95.9Very high96.1Very high133 Ų13343.7 Ų43.750%0.50223%0.227SC..Hα-helixtrans-70.9-44.7177.6-65.2-179.9-173.5-1773.3110.9F192 F193 M197 T198 R199F192-R195 PolarHBondContact O-N 3.11Å; F192-R195 VanDerWaalsContact O-N 3.15Å; F193-R195 VanDerWaalsContact C-N 3.27Å; F193-R195 PolarHBondContact O-N 3Å; R195-M197 VanDerWaalsContact C-N 3.31Å; R195-M197 PolarHBondContact O-N 3.34Å; R195-T198 WeakPolarHBondContact CA-OG1 3.22Å; R195-T198 PolarHBondContact O-N 3Å; R195-T198 PolarHBondContact O-OG1 2.71Å; R195-R199 WeakPolarHBondContact O-CG 3.44Å; R195-R199 PolarHBondContact O-N 3.4Å
196S96.9Very high96.3Very high7 Ų746.3 Ų46.35%0.04923%0.23CC..Hα-helixtrans-54.3-47.8176.2-176.60000111.1N82 F192 F193 R199 F200N82-S196 PolarHBondContact ND2-OG 2.8Å; F192-S196 WeakPolarHBondContact O-CB 3.41Å; F192-S196 PolarHBondContact O-N 3.13Å; F193-S196 WeakPolarHBondContact O-CB 3.29Å; F193-S196 PolarHBondContact O-N 3.11Å; S196-R199 PolarHBondContact O-N 3.07Å; S196-F200 WeakPolarHBondContact O-CB 3.22Å; S196-F200 PolarHBondContact O-N 2.82Å
197M97.8Very high96.6Very high0 Ų042.5 Ų42.50%021%0.214CC..Hα-helixtrans-61.2-48.9176.9-166.370.280.500112.2V38 T174 F176 F193 R195 R199 F200 Y201V38-M197 HydrophobicContact CG1-CB 4Å; V38-M197 HydrophobicContact CG1-CG 4Å; V38-M197 HydrophobicContact CG2-CB 4.03Å; V38-M197 HydrophobicContact CG2-CG 3.8Å; T174-M197 PolarHBondContact OG1-SD 2.88Å; F176-M197 HydrophobicContact CB-CE 3.75Å; F176-M197 HydrophobicContact CD1-CE 3.75Å; F176-M197 HydrophobicContact CD1-SD 4.27Å; F176-M197 HydrophobicContact CD2-CE 3.47Å; F176-M197 VanDerWaalsContact CD2-CE 3.47Å; F176-M197 HydrophobicContact CD2-SD 3.96Å; F176-M197 HydrophobicContact CE1-CE 4.17Å; F176-M197 HydrophobicContact CE1-SD 4.07Å; F176-M197 HydrophobicContact CE2-CB 4.4Å; F176-M197 HydrophobicContact CE2-CE 3.93Å; F176-M197 HydrophobicContact CE2-SD 3.76Å; F176-M197 HydrophobicContact CG-CE 3.36Å; F176-M197 HydrophobicContact CG-SD 4.21Å; F176-M197 HydrophobicContact CZ-CE 4.26Å; F176-M197 HydrophobicContact CZ-SD 3.81Å; F193-M197 PolarHBondContact O-N 3.45Å; R195-M197 VanDerWaalsContact C-N 3.31Å; R195-M197 PolarHBondContact O-N 3.34Å; M197-R199 VanDerWaalsContact C-N 3.29Å; M197-R199 PolarHBondContact O-N 2.87Å; M197-F200 WeakPolarHBondContact O-CB 3.31Å; M197-F200 PolarHBondContact O-N 3.03Å; M197-F200 HydrophobicContact SD-CD1 4.46Å; M197-Y201 HydrophobicContact CG-CD2 4.32Å; M197-Y201 HydrophobicContact CG-CE2 4.12Å; M197-Y201 WeakPolarHBondContact O-CD2 3.25Å; M197-Y201 PolarHBondContact O-N 2.92Å; M197-Y201 HydrophobicContact SD-CE2 4Å
198T97.1Very high96.8Very high43 Ų4337.5 Ų37.526%0.26419%0.188SC..Hα-helixtrans-60.2-38178.451.60000113.1R31 V38 P194 R195 A202R31-T198 HydrophobicContact CB-CG2 4.15Å; V38-T198 HydrophobicContact CG2-CG2 3.86Å; P194-T198 WeakPolarHBondContact O-CG2 3.46Å; P194-T198 PolarHBondContact O-N 2.87Å; P194-T198 PolarHBondContact O-OG1 3.45Å; R195-T198 WeakPolarHBondContact CA-OG1 3.22Å; R195-T198 PolarHBondContact O-N 3Å; R195-T198 PolarHBondContact O-OG1 2.71Å; T198-A202 PolarHBondContact O-N 3Å; T198-A202 VanDerWaalsContact O-N 3.16Å
199R96.9Very high96.7Very high131 Ų13142 Ų4249%0.49421%0.205SC..Hα-helixtrans-72-36.8177.4-69.2-174.5-175.9177.2-5.8112.5E81 R195 S196 M197 Y201 A202 N203E81-R199 WeakPolarHBondContact OE1-CD 3.26Å; E81-R199 IonicContact OE1-CZ 2.66Å; E81-R199 IonicContact OE1-NE 3.79Å; E81-R199 IonicContact OE1-NH1 3.2Å; E81-R199 PolarHBondContact OE1-NH1 3.34Å; R195-R199 WeakPolarHBondContact O-CG 3.44Å; R195-R199 PolarHBondContact O-N 3.4Å; S196-R199 PolarHBondContact O-N 3.07Å; M197-R199 VanDerWaalsContact C-N 3.29Å; M197-R199 PolarHBondContact O-N 2.87Å; R199-Y201 VanDerWaalsContact C-N 3.35Å; R199-Y201 PolarHBondContact O-N 3.3Å; R199-A202 PolarHBondContact O-N 3.13Å; R199-N203 WeakPolarHBondContact O-CB 3.16Å; R199-N203 PolarHBondContact O-N 3.26Å; R199-N203 PolarHBondContact O-ND2 3.19Å
200F98.3Very high96.7Very high3 Ų347.3 Ų47.31%0.01323%0.229CC..Hα-helixtrans-53-52.3172.8164.7-94.5000110.8V68 R76 W79 L172 T174 F176 S196 M197 A202 N203 L204V68-F200 HydrophobicContact CG1-CZ 4.23Å; R76-F200 VanDerWaalsContact NH2-CD2 3.33Å; W79-F200 AromaticContact CH2-CD2 3.72Å; W79-F200 HydrophobicContact CH2-CD2 3.72Å; W79-F200 AromaticContact CH2-CE2 3.16Å; W79-F200 HydrophobicContact CH2-CE2 3.16Å; W79-F200 AromaticContact CH2-CZ 3.82Å; W79-F200 HydrophobicContact CH2-CZ 3.82Å; W79-F200 HydrophobicContact CZ2-CE2 4.19Å; W79-F200 AromaticContact CZ3-CD2 3.73Å; W79-F200 HydrophobicContact CZ3-CD2 3.73Å; W79-F200 AromaticContact CZ3-CE2 3.69Å; W79-F200 HydrophobicContact CZ3-CE2 3.69Å; L172-F200 HydrophobicContact CD2-CE1 3.96Å; L172-F200 HydrophobicContact CD2-CZ 4.33Å; T174-F200 HydrophobicContact CG2-CD1 4.49Å; T174-F200 HydrophobicContact CG2-CE1 3.55Å; T174-F200 HydrophobicContact CG2-CZ 4Å; F176-F200 HydrophobicContact CZ-CB 4.24Å; F176-F200 HydrophobicContact CZ-CD1 4.48Å; F176-F200 HydrophobicContact CZ-CD2 4.33Å; F176-F200 HydrophobicContact CZ-CG 4.07Å; S196-F200 WeakPolarHBondContact O-CB 3.22Å; S196-F200 PolarHBondContact O-N 2.82Å; M197-F200 WeakPolarHBondContact O-CB 3.31Å; M197-F200 PolarHBondContact O-N 3.03Å; M197-F200 HydrophobicContact SD-CD1 4.46Å; F200-A202 PolarHBondContact O-N 2.87Å; F200-N203 PolarHBondContact O-N 2.81Å; F200-L204 HydrophobicContact CE1-CD2 4.38Å; F200-L204 HydrophobicContact CZ-CD2 4.19Å; F200-L204 WeakPolarHBondContact O-CB 3.46Å; F200-L204 PolarHBondContact O-N 3Å
201Y98.4Very high96.6Very high0 Ų048.6 Ų48.60%023%0.231CC..Hα-helixtrans-63.3-42.8177.3-81.6-97.7000112.6V36 G53 E54 L172 T174 M197 R199 N203 L204 Q205V36-Y201 HydrophobicContact CB-CG 4.44Å; V36-Y201 HydrophobicContact CG1-CD1 4.17Å; V36-Y201 HydrophobicContact CG1-CD2 3.73Å; V36-Y201 HydrophobicContact CG1-CE2 4.19Å; V36-Y201 HydrophobicContact CG1-CG 3.75Å; V36-Y201 HydrophobicContact CG2-CD1 3.87Å; V36-Y201 HydrophobicContact CG2-CG 3.73Å; G53-Y201 PolarHBondContact O-OH 2.77Å; E54-Y201 PolarHBondContact N-OH 3.48Å; L172-Y201 HydrophobicContact CB-CE1 4.07Å; L172-Y201 HydrophobicContact CD2-CD1 4.3Å; L172-Y201 HydrophobicContact CD2-CE1 3.77Å; L172-Y201 HydrophobicContact CG-CE1 4.1Å; L172-Y201 WeakPolarHBondContact O-CE1 3.42Å; L172-Y201 PolarHBondContact O-OH 3.49Å; T174-Y201 HydrophobicContact CG2-CE2 4.46Å; T174-Y201 PolarHBondContact N-OH 3.03Å; T174-Y201 VanDerWaalsContact OG1-CE2 3.3Å; T174-Y201 WeakPolarHBondContact OG1-CE2 3.42Å; T174-Y201 PolarHBondContact OG1-OH 3.15Å; M197-Y201 HydrophobicContact CG-CD2 4.32Å; M197-Y201 HydrophobicContact CG-CE2 4.12Å; M197-Y201 WeakPolarHBondContact O-CD2 3.25Å; M197-Y201 PolarHBondContact O-N 2.92Å; M197-Y201 HydrophobicContact SD-CE2 4Å; R199-Y201 VanDerWaalsContact C-N 3.35Å; R199-Y201 PolarHBondContact O-N 3.3Å; Y201-N203 VanDerWaalsContact C-N 3.34Å; Y201-N203 PolarHBondContact O-N 3.39Å; Y201-L204 PolarHBondContact O-N 2.81Å; Y201-Q205 WeakPolarHBondContact O-CB 3.46Å; Y201-Q205 VanDerWaalsContact O-CG 3.31Å; Y201-Q205 WeakPolarHBondContact O-CG 3.49Å; Y201-Q205 PolarHBondContact O-N 3.19Å
202A97.6Very high96.4Very high40 Ų4050.8 Ų50.833%0.33123%0.234SC..Hα-helixtrans-62.8-39.5179.500000112.7T198 R199 F200 K206T198-A202 PolarHBondContact O-N 3Å; T198-A202 VanDerWaalsContact O-N 3.16Å; R199-A202 PolarHBondContact O-N 3.13Å; F200-A202 PolarHBondContact O-N 2.87Å; A202-K206 WeakPolarHBondContact O-CG 3.34Å; A202-K206 PolarHBondContact O-N 2.85Å
203N98.1Very high95.5Very high26 Ų2659.2 Ų59.214%0.13927%0.274CS..Hα-helixtrans-74.6-38.8178-69.7-18000111.4W79 E81 R199 F200 Y201 Q205 K206 A207W79-N203 HydrophobicContact CE3-CB 4.02Å; W79-N203 HydrophobicContact CZ3-CB 4.48Å; W79-N203 WeakPolarHBondContact O-CB 3.42Å; E81-N203 PolarHBondContact OE2-ND2 2.91Å; R199-N203 WeakPolarHBondContact O-CB 3.16Å; R199-N203 PolarHBondContact O-N 3.26Å; R199-N203 PolarHBondContact O-ND2 3.19Å; F200-N203 PolarHBondContact O-N 2.81Å; Y201-N203 VanDerWaalsContact C-N 3.34Å; Y201-N203 PolarHBondContact O-N 3.39Å; N203-Q205 PolarHBondContact O-N 2.66Å; N203-K206 WeakPolarHBondContact O-CB 3.38Å; N203-K206 PolarHBondContact O-N 3.38Å; N203-A207 PolarHBondContact O-N 2.67Å
204L98.1Very high95.5Very high0 Ų061.8 Ų61.80%029%0.286CS..Hα-helixtrans-59.8-45.8174178.158000111.7V57 V64 C67 V68 W79 L172 F200 Y201 K206 A207 V208V57-L204 HydrophobicContact CG2-CD2 4.18Å; V64-L204 HydrophobicContact CG1-CD2 4.38Å; C67-L204 HydrophobicContact CB-CD1 3.3Å; V68-L204 HydrophobicContact CG1-CD1 4.25Å; V68-L204 HydrophobicContact CG1-CD2 4.22Å; W79-L204 HydrophobicContact CE3-CB 4.24Å; W79-L204 HydrophobicContact CH2-CB 3.62Å; W79-L204 HydrophobicContact CH2-CD1 3.68Å; W79-L204 HydrophobicContact CH2-CD2 4.3Å; W79-L204 HydrophobicContact CH2-CG 4.06Å; W79-L204 HydrophobicContact CZ2-CB 4.43Å; W79-L204 HydrophobicContact CZ2-CD1 3.65Å; W79-L204 HydrophobicContact CZ3-CB 3.58Å; W79-L204 HydrophobicContact CZ3-CD1 4.35Å; W79-L204 HydrophobicContact CZ3-CG 4.48Å; L172-L204 HydrophobicContact CD2-CD2 3.18Å; F200-L204 HydrophobicContact CE1-CD2 4.38Å; F200-L204 HydrophobicContact CZ-CD2 4.19Å; F200-L204 WeakPolarHBondContact O-CB 3.46Å; F200-L204 PolarHBondContact O-N 3Å; Y201-L204 PolarHBondContact O-N 2.81Å; L204-K206 PolarHBondContact O-N 2.96Å; L204-A207 WeakPolarHBondContact O-CB 3.47Å; L204-A207 PolarHBondContact O-N 2.84Å; L204-A207 VanDerWaalsContact O-N 3.08Å; L204-V208 HydrophobicContact CD1-CG2 3.89Å; L204-V208 HydrophobicContact CG-CG2 4.32Å; L204-V208 WeakPolarHBondContact O-CG2 2.98Å; L204-V208 PolarHBondContact O-N 3.46Å
205Q96.6Very high95.4Very high45 Ų4564.4 Ų64.421%0.2130%0.297CS..Hα-helixtrans-58.9-37.3177.2-76.2173.5-14.700112V57 Y201 N203 K209V57-Q205 HydrophobicContact CG1-CG 4.49Å; Y201-Q205 WeakPolarHBondContact O-CB 3.46Å; Y201-Q205 VanDerWaalsContact O-CG 3.31Å; Y201-Q205 WeakPolarHBondContact O-CG 3.49Å; Y201-Q205 PolarHBondContact O-N 3.19Å; N203-Q205 PolarHBondContact O-N 2.66Å; Q205-K209 VanDerWaalsContact O-CG 3.29Å; Q205-K209 WeakPolarHBondContact O-CG 3.31Å; Q205-K209 PolarHBondContact O-N 2.88Å
206K96.9Very high95.4Very high130 Ų13060.6 Ų60.657%0.56529%0.286SS*.Hα-helixtrans-67.8-41.2174-68.4172-174.4171.90112A202 N203 L204 K209A202-K206 WeakPolarHBondContact O-CG 3.34Å; A202-K206 PolarHBondContact O-N 2.85Å; N203-K206 WeakPolarHBondContact O-CB 3.38Å; N203-K206 PolarHBondContact O-N 3.38Å; L204-K206 PolarHBondContact O-N 2.96Å; K206-K209 PolarHBondContact O-N 3.32Å
207A97.4Very high95.3Very high10 Ų1063.7 Ų63.78%0.08330%0.3CS..Hα-helixtrans-63.9-44.2178.600000111.9W79 N203 L204 K209 Q210W79-A207 HydrophobicContact CB-CB 3.66Å; W79-A207 HydrophobicContact CD2-CB 4.28Å; W79-A207 HydrophobicContact CG-CB 3.68Å; N203-A207 PolarHBondContact O-N 2.67Å; L204-A207 WeakPolarHBondContact O-CB 3.47Å; L204-A207 PolarHBondContact O-N 2.84Å; L204-A207 VanDerWaalsContact O-N 3.08Å; A207-K209 VanDerWaalsContact C-N 3.33Å; A207-K209 PolarHBondContact O-N 3.21Å; A207-Q210 WeakPolarHBondContact O-CB 3.48Å; A207-Q210 PolarHBondContact O-N 2.87Å
208V97.3Very high95.1Very high1 Ų167.7 Ų67.71%0.00632%0.318CS..Hα-helixtrans-65.2-37.7179.5173.10000111.5V57 Y58 V64 L204 Q210 F211V57-V208 HydrophobicContact CG1-CB 4.26Å; V57-V208 HydrophobicContact CG1-CG1 4.31Å; V57-V208 HydrophobicContact CG1-CG2 3.94Å; Y58-V208 WeakPolarHBondContact O-CG1 3.33Å; V64-V208 HydrophobicContact CG2-CG1 4.47Å; V64-V208 HydrophobicContact CG2-CG2 4.15Å; L204-V208 HydrophobicContact CD1-CG2 3.89Å; L204-V208 HydrophobicContact CG-CG2 4.32Å; L204-V208 WeakPolarHBondContact O-CG2 2.98Å; L204-V208 PolarHBondContact O-N 3.46Å; V208-Q210 PolarHBondContact O-N 2.82Å; V208-Q210 VanDerWaalsContact O-N 3.16Å; V208-F211 WeakPolarHBondContact O-CB 3.44Å; V208-F211 VanDerWaalsContact O-CD2 3.27Å; V208-F211 WeakPolarHBondContact O-CD2 3.28Å; V208-F211 PolarHBondContact O-N 2.92Å; V208-F211 VanDerWaalsContact O-N 3.09Å
209K95.2Very high95Very high118 Ų11869.3 Ų69.351%0.51332%0.322SS..Hα-helixtrans-58.2-28.6175.8-77.5178.8-179.1-1680113.8Q205 K206 A207 F211 H212 E213Q205-K209 VanDerWaalsContact O-CG 3.29Å; Q205-K209 WeakPolarHBondContact O-CG 3.31Å; Q205-K209 PolarHBondContact O-N 2.88Å; K206-K209 PolarHBondContact O-N 3.32Å; A207-K209 VanDerWaalsContact C-N 3.33Å; A207-K209 PolarHBondContact O-N 3.21Å; K209-F211 PolarHBondContact O-N 2.78Å; K209-H212 PolarHBondContact O-N 2.55Å; K209-E213 PolarHBondContact O-N 2.85Å
210Q94.2Very high94.9Very high130 Ų13064.9 Ų64.961%0.60731%0.31SS*.THydrogen-bonded Turntrans-67.7-14.4179.3-64.1174.417.600113.4A207 V208A207-Q210 WeakPolarHBondContact O-CB 3.48Å; A207-Q210 PolarHBondContact O-N 2.87Å; V208-Q210 PolarHBondContact O-N 2.82Å; V208-Q210 VanDerWaalsContact O-N 3.16Å
211F90.3Very high94.6Very high88 Ų8869.7 Ų69.739%0.38633%0.332SS..THydrogen-bonded Turntrans-75.6-16.7171.1-63.2-63.1000112.9E63 L75 V208 K209E63-F211 HydrophobicContact CB-CD2 3.94Å; E63-F211 HydrophobicContact CB-CE2 4.13Å; E63-F211 HydrophobicContact CG-CD2 4.21Å; E63-F211 HydrophobicContact CG-CG 4.49Å; L75-F211 HydrophobicContact CD1-CE1 4.26Å; L75-F211 HydrophobicContact CD1-CZ 3.56Å; V208-F211 WeakPolarHBondContact O-CB 3.44Å; V208-F211 VanDerWaalsContact O-CD2 3.27Å; V208-F211 WeakPolarHBondContact O-CD2 3.28Å; V208-F211 PolarHBondContact O-N 2.92Å; V208-F211 VanDerWaalsContact O-N 3.09Å; K209-F211 PolarHBondContact O-N 2.78Å
212H89.8Confident94.3Very high110 Ų11075.5 Ų75.551%0.50936%0.36SS..  trans-111.43.9-174.7-50.5157.1000112.6E63 K209E63-H212 VanDerWaalsContact CD-NE2 3.27Å; E63-H212 IonicContact OE1-CD2 3.5Å; E63-H212 PolarHBondContact OE1-CD2 2.78Å; E63-H212 IonicContact OE1-NE2 2.9Å; E63-H212 PolarHBondContact OE1-NE2 3.4Å; E63-H212 IonicContact OE2-CE1 2.71Å; E63-H212 IonicContact OE2-NE2 2.98Å; E63-H212 PolarHBondContact OE2-NE2 2.93Å; K209-H212 PolarHBondContact O-N 2.55Å
213E79.9Confident94Very high208 Ų20878.7 Ų78.797%0.97236%0.363SS*.  trans-100.10175.2-70.8177.5-178.800110.8K209K209-E213 PolarHBondContact O-N 2.85Å

Retrieved 213 of 213 residues in 940.8 ms (Link to these results)

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