A0A096NIC6_PAPAN Loading...

Cysteine rich protein 3

AlphaFold DB , UniProt , Accession A0A096NIC6, Species PAPAN (Papio anubis, Olive baboon), Gene CRIP3, Length 204 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M72.6Confident87.2Confident224 Ų22489.6 Ų89.6100%1.10347%0.465SS*.  01210-66.780.216600109.1
2S78.9Confident87.5Confident76 Ų7682.2 Ų82.253%0.53143%0.426SS..  trans-107.6148.3170.649.50000109.1
3W89.1Confident87.6Confident99 Ų9985.9 Ų85.938%0.37544%0.437SS..EExtended strand (participates in β ladder)trans-104.4150.8173.6-65.7-80.3000110P11 V12 K17 N24W3-P11 CarbonylContact O-C 3.5Å; W3-P11 WeakPolarHBondContact O-CA 3.27Å; W3-V12 PolarHBondContact N-O 3.39Å; W3-V12 PolarHBondContact O-N 3.31Å; W3-K17 HydrophobicContact CE3-CD 4.25Å; W3-K17 HydrophobicContact CH2-CD 4.45Å; W3-K17 HydrophobicContact CZ3-CD 3.84Å; W3-N24 HydrophobicContact CB-CB 3.61Å; W3-N24 HydrophobicContact CG-CB 4.02Å; W3-N24 PolarHBondContact NE1-ND2 3.48Å
4T91.6Very high87.6Confident93 Ų9390.9 Ų90.957%0.57146%0.455SS*.EExtended strand (participates in β ladder)trans-97.9130.8179.8-50.10000110.6
5C91.4Very high87.4Confident0 Ų089.9 Ų89.90%047%0.467CS..  trans-74.7123.3175.3-177.40000110.5R7 C8 Q9 Q10 V12 N24 H26 C29C5-R7 PolarHBondContact O-N 3.23Å; C5-C8 VanDerWaalsContact CB-SG 3.58Å; C5-Q9 WeakPolarHBondContact O-CA 3.31Å; C5-Q9 PolarHBondContact O-N 3.41Å; C5-Q10 WeakPolarHBondContact CB-O 3.41Å; C5-Q10 PolarHBondContact N-O 3.33Å; C5-V12 HydrophobicContact CB-CG2 3.57Å; C5-N24 WeakPolarHBondContact CA-O 3.47Å; C5-H26 WeakPolarHBondContact CB-CE1 3.27Å; C5-H26 WeakPolarHBondContact CB-ND1 3.49Å; C5-H26 PolarHBondContact SG-ND1 3.05Å; C5-H26 VanDerWaalsContact SG-ND1 3.36Å; C5-C29 VanDerWaalsContact SG-CB 3.6Å
6P88.1Confident87.3Confident43 Ų4389.9 Ų89.928%0.27946%0.464SS..THydrogen-bonded Turntrans-68.9-17-179.126.1-33.6000113.7K23 N24 W25P6-K23 HydrophobicContact CG-CB 4.44Å; P6-K23 HydrophobicContact CG-CD 4.16Å; P6-N24 VanDerWaalsContact CD-O 3.25Å; P6-N24 WeakPolarHBondContact CD-O 3.19Å; P6-W25 HydrophobicContact CB-CH2 4.34Å; P6-W25 HydrophobicContact CB-CZ3 4.47Å; P6-W25 HydrophobicContact CG-CD2 3.86Å; P6-W25 HydrophobicContact CG-CE3 3.74Å; P6-W25 HydrophobicContact CG-CH2 3.48Å; P6-W25 VanDerWaalsContact CG-CH2 3.48Å; P6-W25 HydrophobicContact CG-CZ2 3.59Å; P6-W25 HydrophobicContact CG-CZ3 3.55Å
7R87.7Confident87.3Confident66 Ų6688.5 Ų88.525%0.24945%0.453CS..THydrogen-bonded Turntrans-83.2-50.1178169.4168.2-87.3-177.3-8.4113.7C5 W25 C29 K31C5-R7 PolarHBondContact O-N 3.23Å; R7-W25 HydrophobicContact CB-CE3 4.3Å; R7-W25 HydrophobicContact CB-CZ3 4.06Å; R7-C29 HydrophobicContact CB-CB 4.25Å; R7-C29 VanDerWaalsContact CD-O 3.28Å; R7-C29 WeakPolarHBondContact CD-O 3.5Å; R7-C29 HydrophobicContact CG-CB 4.45Å; R7-C29 PolarHBondContact NE-O 3.17Å; R7-C29 PolarHBondContact NH1-O 3.32Å; R7-K31 PolarHBondContact NH1-O 3.49Å; R7-K31 PolarHBondContact NH2-O 3.3Å
8C89.4Confident87.5Confident45 Ų4584.7 Ų84.730%0.30444%0.435SS..THydrogen-bonded Turntrans-108.7-2.7-17559.40000113.3C5 Q10 H26 C29C5-C8 VanDerWaalsContact CB-SG 3.58Å; C8-Q10 PolarHBondContact O-N 2.93Å; C8-H26 PolarHBondContact SG-CE1 3.37Å; C8-H26 PolarHBondContact SG-ND1 3.43Å; C8-H26 VanDerWaalsContact SG-ND1 3.36Å; C8-C29 VanDerWaalsContact SG-SG 3.63Å
9Q88.9Confident87.6Confident160 Ų16083.9 Ų83.975%0.74844%0.437SS*.  trans58.311.2-178.5-57.4-180-0.600114.7C5C5-Q9 WeakPolarHBondContact O-CA 3.31Å; C5-Q9 PolarHBondContact O-N 3.41Å
10Q89.8Confident87.5Confident120 Ų12080 Ų8056%0.56142%0.418SS*.PPolyproline II helixtrans-87.3153.4176-70.8177-37.300111.5C5 C8C5-Q10 WeakPolarHBondContact CB-O 3.41Å; C5-Q10 PolarHBondContact N-O 3.33Å; C8-Q10 PolarHBondContact O-N 2.93Å
11P91.9Very high87.3Confident60 Ų6081 Ų8139%0.3942%0.423SS..EExtended strand (participates in β ladder)trans-63.9137.8174.227.1-33.8000111W3 F13 H26W3-P11 CarbonylContact O-C 3.5Å; W3-P11 WeakPolarHBondContact O-CA 3.27Å; P11-F13 HydrophobicContact CB-CE2 4.39Å; P11-F13 HydrophobicContact CB-CZ 4.37Å; P11-F13 HydrophobicContact CG-CE2 4.16Å; P11-F13 HydrophobicContact CG-CZ 4.23Å; P11-H26 PolarHBondContact O-NE2 3.21Å; P11-H26 VanDerWaalsContact O-NE2 3.15Å
12V91.1Very high88Confident0 Ų074.3 Ų74.30%041%0.411CS..EExtended strand (participates in β ladder)trans-102.9116.4175.4-1740000107W3 C5 K17W3-V12 PolarHBondContact N-O 3.39Å; W3-V12 PolarHBondContact O-N 3.31Å; C5-V12 HydrophobicContact CB-CG2 3.57Å; V12-K17 VanDerWaalsContact CG1-CA 3.43Å; V12-K17 HydrophobicContact CG1-CB 3.61Å
13F88.7Confident88.4Confident131 Ų13174.7 Ų74.758%0.57540%0.403SS*.PPolyproline II helixtrans-87.3162.7175.7-62.2-81.7000110.9P11 A15 E16 K17P11-F13 HydrophobicContact CB-CE2 4.39Å; P11-F13 HydrophobicContact CB-CZ 4.37Å; P11-F13 HydrophobicContact CG-CE2 4.16Å; P11-F13 HydrophobicContact CG-CZ 4.23Å; F13-A15 PolarHBondContact O-N 2.65Å; F13-A15 VanDerWaalsContact O-N 3.14Å; F13-E16 PolarHBondContact O-N 3.32Å; F13-K17 PolarHBondContact O-N 3.22Å; F13-K17 VanDerWaalsContact O-N 3.13Å
14F86.6Confident88.5Confident156 Ų15671 Ų7168%0.68439%0.391SS*.THydrogen-bonded Turntrans-56.5-33.8-173.1-170.6-91.3000114.1E16 K17F14-E16 PolarHBondContact O-N 3.46Å; F14-K17 HydrophobicContact CD2-CD 4.17Å; F14-K17 WeakPolarHBondContact O-CG 3.26Å
15A85.6Confident88.5Confident76 Ų7666.6 Ų66.663%0.62836%0.364SS*.THydrogen-bonded Turntrans-68.1-34.1-178.500000113.8F13 R27F13-A15 PolarHBondContact O-N 2.65Å; F13-A15 VanDerWaalsContact O-N 3.14Å; A15-R27 PolarHBondContact O-NH2 3.42Å
16E85.6Confident88.5Confident90 Ų9067.4 Ų67.442%0.42137%0.368SS..THydrogen-bonded Turntrans-106.5-1.2-173.4-61.8-170.8140.700113.3F13 F14 V18 H26 R27F13-E16 PolarHBondContact O-N 3.32Å; F14-E16 PolarHBondContact O-N 3.46Å; E16-V18 PolarHBondContact O-N 2.86Å; E16-H26 IonicContact OE2-CD2 3.99Å; E16-R27 PolarHBondContact O-N 3.31Å
17K87.6Confident88.5Confident65 Ų6572.5 Ų72.528%0.28338%0.381SS..EExtended strand (participates in β ladder)trans-67.1133-175.881.4177.6-179.6163.30111.4W3 V12 F13 F14W3-K17 HydrophobicContact CE3-CD 4.25Å; W3-K17 HydrophobicContact CH2-CD 4.45Å; W3-K17 HydrophobicContact CZ3-CD 3.84Å; V12-K17 VanDerWaalsContact CG1-CA 3.43Å; V12-K17 HydrophobicContact CG1-CB 3.61Å; F13-K17 PolarHBondContact O-N 3.22Å; F13-K17 VanDerWaalsContact O-N 3.13Å; F14-K17 HydrophobicContact CD2-CD 4.17Å; F14-K17 WeakPolarHBondContact O-CG 3.26Å
18V90.4Very high88.6Confident21 Ų2177.1 Ų77.113%0.12740%0.403CS..EExtended strand (participates in β ladder)trans-126.2109.5168-1790000107.2E16 W25 R27 L30 P41E16-V18 PolarHBondContact O-N 2.86Å; V18-W25 PolarHBondContact N-O 3.49Å; V18-W25 PolarHBondContact O-N 2.88Å; V18-R27 HydrophobicContact CG2-CB 4.26Å; V18-R27 HydrophobicContact CG2-CG 3.52Å; V18-L30 HydrophobicContact CG1-CD2 3.77Å; V18-P41 HydrophobicContact CG1-CB 3.77Å; V18-P41 HydrophobicContact CG1-CG 3.54Å
19S88.9Confident88.6Confident69 Ų6975.9 Ų75.948%0.48340%0.395SS..EExtended strand (participates in β ladder)trans-87.1124.8179.6-54.30000109.9K23 N24S19-K23 CarbonylContact C-O 3.56Å; S19-K23 WeakPolarHBondContact CA-O 3.36Å; S19-N24 PolarHBondContact OG-OD1 2.91Å
20S86.4Confident88.7Confident6 Ų668.4 Ų68.44%0.04236%0.36CS..EExtended strand (participates in β ladder)trans-152.1137.4176.3-168.90000111.7G22 K23 G42 H44S20-G22 PolarHBondContact O-N 3.5Å; S20-K23 PolarHBondContact N-O 2.7Å; S20-K23 PolarHBondContact O-N 3.37Å; S20-K23 VanDerWaalsContact O-O 3.1Å; S20-G42 WeakPolarHBondContact OG-CA 3.27Å; S20-G42 PolarHBondContact OG-N 3.3Å; S20-H44 WeakPolarHBondContact CB-CE1 3.2Å; S20-H44 PolarHBondContact OG-CE1 2.83Å
21L83.8Confident88.8Confident102 Ų10266.8 Ų66.853%0.53435%0.352SS..THydrogen-bonded Turntrans51.436-178.4-61.2174.7000113K23 H44 E46L21-K23 PolarHBondContact O-N 2.85Å; L21-H44 WeakPolarHBondContact CD1-O 3.23Å; L21-E46 HydrophobicContact CD1-CB 4Å
22G85.9Confident88.8Confident83 Ų8364 Ų6486%0.85633%0.333SS*.THydrogen-bonded Turntrans76.23-178.300000115.1S20S20-G22 PolarHBondContact O-N 3.5Å
23K88.1Confident88.8Confident84 Ų8466.6 Ų66.637%0.36535%0.345SS..EExtended strand (participates in β ladder)trans-113157.8176.4-56.4-168.1-169.2-169.30111.5P6 S19 S20 L21 W25 E46P6-K23 HydrophobicContact CG-CB 4.44Å; P6-K23 HydrophobicContact CG-CD 4.16Å; S19-K23 CarbonylContact C-O 3.56Å; S19-K23 WeakPolarHBondContact CA-O 3.36Å; S20-K23 PolarHBondContact N-O 2.7Å; S20-K23 PolarHBondContact O-N 3.37Å; S20-K23 VanDerWaalsContact O-O 3.1Å; L21-K23 PolarHBondContact O-N 2.85Å; K23-W25 HydrophobicContact CB-CZ2 4.46Å; K23-W25 HydrophobicContact CD-CZ2 4.49Å; K23-E46 VanDerWaalsContact CD-OE2 3.26Å; K23-E46 WeakPolarHBondContact CD-OE2 3.44Å; K23-E46 VanDerWaalsContact CE-OE1 3.31Å; K23-E46 WeakPolarHBondContact CE-OE1 3.36Å; K23-E46 VanDerWaalsContact CE-OE2 3.27Å; K23-E46 WeakPolarHBondContact CE-OE2 3.43Å; K23-E46 IonicContact NZ-OE1 2.91Å; K23-E46 PolarHBondContact NZ-OE1 3.13Å; K23-E46 IonicContact NZ-OE2 2.65Å
24N91.3Very high88.7Confident21 Ų2166.6 Ų66.611%0.11234%0.342CS..EExtended strand (participates in β ladder)trans-111.3129.8178.5-62.5-72.3000109.7W3 C5 P6 S19W3-N24 HydrophobicContact CB-CB 3.61Å; W3-N24 HydrophobicContact CG-CB 4.02Å; W3-N24 PolarHBondContact NE1-ND2 3.48Å; C5-N24 WeakPolarHBondContact CA-O 3.47Å; P6-N24 VanDerWaalsContact CD-O 3.25Å; P6-N24 WeakPolarHBondContact CD-O 3.19Å; S19-N24 PolarHBondContact OG-OD1 2.91Å
25W91.8Very high88.9Confident0 Ų061.8 Ų61.80%033%0.326CS..EExtended strand (participates in β ladder)trans-124.6155.7-175.6-53.179.9000108.8P6 R7 V18 K23 L30 E46 G49 P51P6-W25 HydrophobicContact CB-CH2 4.34Å; P6-W25 HydrophobicContact CB-CZ3 4.47Å; P6-W25 HydrophobicContact CG-CD2 3.86Å; P6-W25 HydrophobicContact CG-CE3 3.74Å; P6-W25 HydrophobicContact CG-CH2 3.48Å; P6-W25 VanDerWaalsContact CG-CH2 3.48Å; P6-W25 HydrophobicContact CG-CZ2 3.59Å; P6-W25 HydrophobicContact CG-CZ3 3.55Å; R7-W25 HydrophobicContact CB-CE3 4.3Å; R7-W25 HydrophobicContact CB-CZ3 4.06Å; V18-W25 PolarHBondContact N-O 3.49Å; V18-W25 PolarHBondContact O-N 2.88Å; K23-W25 HydrophobicContact CB-CZ2 4.46Å; K23-W25 HydrophobicContact CD-CZ2 4.49Å; W25-L30 HydrophobicContact CB-CB 4.21Å; W25-L30 HydrophobicContact CB-CD1 4.04Å; W25-L30 HydrophobicContact CD2-CD1 3.7Å; W25-L30 HydrophobicContact CE3-CD1 4.22Å; W25-L30 HydrophobicContact CG-CD1 3.61Å; W25-E46 HydrophobicContact CH2-CG 4.34Å; W25-E46 HydrophobicContact CZ2-CG 4.26Å; W25-G49 VanDerWaalsContact CH2-O 3.31Å; W25-G49 WeakPolarHBondContact CH2-O 3.17Å; W25-P51 HydrophobicContact CE3-CG 4.36Å; W25-P51 HydrophobicContact CH2-CB 4.22Å; W25-P51 HydrophobicContact CH2-CG 4.13Å; W25-P51 HydrophobicContact CZ3-CB 4.36Å; W25-P51 HydrophobicContact CZ3-CG 3.81Å
26H91.7Very high89.1Confident18 Ų1864.3 Ų64.38%0.08333%0.325CS..EExtended strand (participates in β ladder)trans-73.9152.2160.6-50.293.5000110C5 C8 P11 E16 F28 C29 L30C5-H26 WeakPolarHBondContact CB-CE1 3.27Å; C5-H26 WeakPolarHBondContact CB-ND1 3.49Å; C5-H26 PolarHBondContact SG-ND1 3.05Å; C5-H26 VanDerWaalsContact SG-ND1 3.36Å; C8-H26 PolarHBondContact SG-CE1 3.37Å; C8-H26 PolarHBondContact SG-ND1 3.43Å; C8-H26 VanDerWaalsContact SG-ND1 3.36Å; P11-H26 PolarHBondContact O-NE2 3.21Å; P11-H26 VanDerWaalsContact O-NE2 3.15Å; E16-H26 IonicContact OE2-CD2 3.99Å; H26-F28 PolarHBondContact O-N 3.25Å; H26-C29 HydrophobicContact CB-CB 3.85Å; H26-C29 PolarHBondContact ND1-SG 2.82Å; H26-C29 VanDerWaalsContact ND1-SG 3.43Å; H26-C29 PolarHBondContact O-N 3.17Å; H26-L30 PolarHBondContact O-N 2.94Å
27R87.9Confident89.2Confident150 Ų15062.9 Ų62.957%0.56633%0.325SS*.THydrogen-bonded Turntrans-48.5-43.6173.6-66169.7-179.2-130.14.4112.8A15 E16 V18A15-R27 PolarHBondContact O-NH2 3.42Å; E16-R27 PolarHBondContact O-N 3.31Å; V18-R27 HydrophobicContact CG2-CB 4.26Å; V18-R27 HydrophobicContact CG2-CG 3.52Å
28F88.3Confident89.3Confident162 Ų16264.9 Ų64.971%0.71134%0.343SS*.THydrogen-bonded Turntrans-83.7-20.3179.5-59.6-70.3000114.1H26H26-F28 PolarHBondContact O-N 3.25Å
29C90.3Very high89.2Confident20 Ų2064.8 Ų64.814%0.13534%0.341CS..THydrogen-bonded Turntrans-77.9-25175.6-730000111.4C5 R7 C8 H26 K31C5-C29 VanDerWaalsContact SG-CB 3.6Å; R7-C29 HydrophobicContact CB-CB 4.25Å; R7-C29 VanDerWaalsContact CD-O 3.28Å; R7-C29 WeakPolarHBondContact CD-O 3.5Å; R7-C29 HydrophobicContact CG-CB 4.45Å; R7-C29 PolarHBondContact NE-O 3.17Å; R7-C29 PolarHBondContact NH1-O 3.32Å; C8-C29 VanDerWaalsContact SG-SG 3.63Å; H26-C29 HydrophobicContact CB-CB 3.85Å; H26-C29 PolarHBondContact ND1-SG 2.82Å; H26-C29 VanDerWaalsContact ND1-SG 3.43Å; H26-C29 PolarHBondContact O-N 3.17Å; C29-K31 PolarHBondContact O-N 3Å
30L91.1Very high89.1Confident2 Ų265.4 Ų65.41%0.0135%0.345CS..  trans-80.462.6175.4-159.674.1000112.4V18 W25 H26 L39 H44 P51V18-L30 HydrophobicContact CG1-CD2 3.77Å; W25-L30 HydrophobicContact CB-CB 4.21Å; W25-L30 HydrophobicContact CB-CD1 4.04Å; W25-L30 HydrophobicContact CD2-CD1 3.7Å; W25-L30 HydrophobicContact CE3-CD1 4.22Å; W25-L30 HydrophobicContact CG-CD1 3.61Å; H26-L30 PolarHBondContact O-N 2.94Å; L30-L39 HydrophobicContact CD2-CB 4.5Å; L30-L39 WeakPolarHBondContact CD2-O 3.23Å; L30-L39 HydrophobicContact CG-CB 4.2Å; L30-L39 PolarHBondContact O-N 2.8Å; L30-H44 WeakPolarHBondContact CD1-CE1 3.42Å; L30-P51 HydrophobicContact CD1-CB 4.26Å
31K91.8Very high89.1Confident87 Ų8769.1 Ų69.138%0.37837%0.37SS..BIsolated β-bridgetrans-127.1140.717562.8-178.9176.5-171.20111R7 C29 E33 S37R7-K31 PolarHBondContact NH1-O 3.49Å; R7-K31 PolarHBondContact NH2-O 3.3Å; C29-K31 PolarHBondContact O-N 3Å; K31-E33 PolarHBondContact O-N 2.89Å; K31-S37 CarbonylContact C-O 3.5Å; K31-S37 VanDerWaalsContact CA-O 3.28Å; K31-S37 WeakPolarHBondContact CA-O 3.41Å
32C92.6Very high89.1Confident0 Ų066.9 Ų66.90%037%0.371CS..  trans-57.6134.9179.2-178.30000110.1R34 C35 H36 S37 L39 P51C32-R34 VanDerWaalsContact C-N 3.35Å; C32-R34 PolarHBondContact SG-N 3.34Å; C32-R34 VanDerWaalsContact SG-N 3.43Å; C32-C35 WeakPolarHBondContact CB-SG 3.48Å; C32-H36 WeakPolarHBondContact O-CA 3.24Å; C32-H36 PolarHBondContact O-N 3.38Å; C32-S37 PolarHBondContact N-O 3.16Å; C32-L39 HydrophobicContact CB-CD1 4Å; C32-L39 HydrophobicContact CB-CD2 4.18Å; C32-L39 HydrophobicContact CB-CG 4.18Å; C32-P51 WeakPolarHBondContact CA-O 3.38Å
33E89.8Confident89Confident55 Ų5564.9 Ų64.926%0.25735%0.351SS..THydrogen-bonded Turntrans-70.8-32.7177.8-162.9-160.3157.500113.1K31 H36 R50 P51 Y52K31-E33 PolarHBondContact O-N 2.89Å; E33-H36 PolarHBondContact O-CE1 2.77Å; E33-H36 PolarHBondContact O-NE2 2.95Å; E33-R50 IonicContact OE1-CZ 3.71Å; E33-R50 IonicContact OE1-NE 3.49Å; E33-R50 IonicContact OE1-NH1 3.98Å; E33-R50 PolarHBondContact OE1-NH1 3Å; E33-R50 IonicContact OE1-NH2 2.75Å; E33-R50 PolarHBondContact OE1-NH2 3.3Å; E33-R50 WeakPolarHBondContact OE2-CD 3.38Å; E33-R50 IonicContact OE2-CZ 2.88Å; E33-R50 IonicContact OE2-NE 3.6Å; E33-R50 PolarHBondContact OE2-NE 2.73Å; E33-R50 IonicContact OE2-NH1 2.67Å; E33-R50 PolarHBondContact OE2-NH1 3.29Å; E33-R50 IonicContact OE2-NH2 2.69Å; E33-R50 PolarHBondContact OE2-NH2 3.04Å; E33-P51 PolarHBondContact N-O 3.12Å; E33-Y52 HydrophobicContact CB-CD1 4.48Å; E33-Y52 HydrophobicContact CB-CE1 3.85Å; E33-Y52 PolarHBondContact OE2-OH 2.87Å
34R87.8Confident89Confident132 Ų13261 Ų6150%0.49833%0.334SS..THydrogen-bonded Turntrans-80.5-43-175.2-176.5174.6-179.4163.52.2113.5C32 C57 A60C32-R34 VanDerWaalsContact C-N 3.35Å; C32-R34 PolarHBondContact SG-N 3.34Å; C32-R34 VanDerWaalsContact SG-N 3.43Å; R34-C57 HydrophobicContact CB-CB 4.2Å; R34-A60 VanDerWaalsContact NH1-CB 3.27Å
35C90.1Very high89Confident54 Ų5460.4 Ų60.437%0.36533%0.332SS..THydrogen-bonded Turntrans-1100.2-17767.40000113.3C32 S37 C53C32-C35 WeakPolarHBondContact CB-SG 3.48Å; C35-S37 PolarHBondContact O-N 3.02Å; C35-S37 PolarHBondContact O-OG 2.96Å; C35-S37 PolarHBondContact SG-OG 3.09Å; C35-C53 PolarHBondContact SG-SG 3.31Å
36H89.1Confident88.9Confident130 Ų13062.4 Ų62.460%0.60234%0.341SS*.  trans56.27.9-179.9-58.3-63.1000116C32 E33C32-H36 WeakPolarHBondContact O-CA 3.24Å; C32-H36 PolarHBondContact O-N 3.38Å; E33-H36 PolarHBondContact O-CE1 2.77Å; E33-H36 PolarHBondContact O-NE2 2.95Å
37S88.7Confident88.7Confident60 Ų6064 Ų6442%0.4235%0.348SS..PPolyproline II helixtrans-70.2135.1177.1-47.30000110.7K31 C32 C35 L39K31-S37 CarbonylContact C-O 3.5Å; K31-S37 VanDerWaalsContact CA-O 3.28Å; K31-S37 WeakPolarHBondContact CA-O 3.41Å; C32-S37 PolarHBondContact N-O 3.16Å; C35-S37 PolarHBondContact O-N 3.02Å; C35-S37 PolarHBondContact O-OG 2.96Å; C35-S37 PolarHBondContact SG-OG 3.09Å; S37-L39 PolarHBondContact O-N 2.81Å
38V89.4Confident88.6Confident107 Ų10763.5 Ų63.565%0.64836%0.357SS*.BIsolated β-bridgetrans-61.8128.9171.1-177.90000108.3
39L88.9Confident88.3Confident18 Ų1856.5 Ų56.59%0.09433%0.33CS..PPolyproline II helixtrans-97.4145.6-175.2-67.8167.2000110L30 C32 S37 H44 P51 C53L30-L39 HydrophobicContact CD2-CB 4.5Å; L30-L39 WeakPolarHBondContact CD2-O 3.23Å; L30-L39 HydrophobicContact CG-CB 4.2Å; L30-L39 PolarHBondContact O-N 2.8Å; C32-L39 HydrophobicContact CB-CD1 4Å; C32-L39 HydrophobicContact CB-CD2 4.18Å; C32-L39 HydrophobicContact CB-CG 4.18Å; S37-L39 PolarHBondContact O-N 2.81Å; L39-H44 HydrophobicContact CB-CB 4.11Å; L39-H44 HydrophobicContact CD1-CB 3.79Å; L39-H44 HydrophobicContact CD2-CB 4.12Å; L39-H44 HydrophobicContact CG-CB 4.23Å; L39-P51 HydrophobicContact CD1-CB 3.75Å; L39-P51 HydrophobicContact CD1-CG 4.36Å; L39-C53 HydrophobicContact CD2-CB 4.34Å; L39-C53 VanDerWaalsContact CD2-SG 3.53Å
40S86.1Confident88.2Confident82 Ų8261 Ų6157%0.57335%0.345SS*.PPolyproline II helixtrans-74143.3173.5-56.90000110.7G42 G43 H44S40-G42 PolarHBondContact O-N 3.44Å; S40-G43 PolarHBondContact O-N 3.37Å; S40-H44 PolarHBondContact O-ND1 3.15Å; S40-H44 VanDerWaalsContact O-ND1 3.16Å
41P86.1Confident88.2Confident85 Ų8561 Ų6155%0.55234%0.344SS*.THydrogen-bonded Turntrans-59.3127.6172.5-13.426000109.5V18 G43V18-P41 HydrophobicContact CG1-CB 3.77Å; V18-P41 HydrophobicContact CG1-CG 3.54Å; P41-G43 VanDerWaalsContact C-N 3.26Å; P41-G43 PolarHBondContact O-N 2.69Å
42G83.6Confident88.2Confident54 Ų5457.4 Ų57.456%0.55733%0.329SS*.THydrogen-bonded Turntrans81.8-9.7178.800000115.7S20 S40S20-G42 WeakPolarHBondContact OG-CA 3.27Å; S20-G42 PolarHBondContact OG-N 3.3Å; S40-G42 PolarHBondContact O-N 3.44Å
43G84.6Confident88.2Confident42 Ų4258.4 Ų58.443%0.43334%0.335SS..SBendtrans-108.934.7-179.200000114.2S40 P41 H54S40-G43 PolarHBondContact O-N 3.37Å; P41-G43 VanDerWaalsContact C-N 3.26Å; P41-G43 PolarHBondContact O-N 2.69Å; G43-H54 VanDerWaalsContact C-CD2 3.43Å; G43-H54 PolarHBondContact O-CD2 3.15Å
44H89.2Confident88.2Confident2 Ų260.8 Ų60.81%0.00935%0.346CS..SBendtrans-142.7161.5179.666-91.5000112S20 L21 L30 L39 S40 Y52 H54S20-H44 WeakPolarHBondContact CB-CE1 3.2Å; S20-H44 PolarHBondContact OG-CE1 2.83Å; L21-H44 WeakPolarHBondContact CD1-O 3.23Å; L30-H44 WeakPolarHBondContact CD1-CE1 3.42Å; L39-H44 HydrophobicContact CB-CB 4.11Å; L39-H44 HydrophobicContact CD1-CB 3.79Å; L39-H44 HydrophobicContact CD2-CB 4.12Å; L39-H44 HydrophobicContact CG-CB 4.23Å; S40-H44 PolarHBondContact O-ND1 3.15Å; S40-H44 VanDerWaalsContact O-ND1 3.16Å; H44-Y52 WeakPolarHBondContact CB-O 3.47Å; H44-H54 VanDerWaalsContact C-CE1 3.49Å; H44-H54 WeakPolarHBondContact CA-NE2 3.12Å; H44-H54 PolarHBondContact N-NE2 2.93Å; H44-H54 PolarHBondContact O-CE1 3.34Å; H44-H54 PolarHBondContact O-NE2 2.63Å
45A90.4Very high88Confident9 Ų963.5 Ų63.57%0.07436%0.362CS..EExtended strand (participates in β ladder)trans-100.9138.8174.700000109.8Y52 Y58A45-Y52 PolarHBondContact N-O 3.29Å; A45-Y52 PolarHBondContact O-N 3.28Å; A45-Y58 HydrophobicContact CB-CD1 4.07Å; A45-Y58 HydrophobicContact CB-CD2 3.27Å; A45-Y58 HydrophobicContact CB-CE1 4.39Å; A45-Y58 HydrophobicContact CB-CE2 3.62Å; A45-Y58 HydrophobicContact CB-CG 3.51Å
46E89.5Confident87.9Confident41 Ų4165.9 Ų65.919%0.19238%0.377CS..EExtended strand (participates in β ladder)trans-101.5135.7173-166.2-168.7140.200109.8L21 K23 W25 G49L21-E46 HydrophobicContact CD1-CB 4Å; K23-E46 VanDerWaalsContact CD-OE2 3.26Å; K23-E46 WeakPolarHBondContact CD-OE2 3.44Å; K23-E46 VanDerWaalsContact CE-OE1 3.31Å; K23-E46 WeakPolarHBondContact CE-OE1 3.36Å; K23-E46 VanDerWaalsContact CE-OE2 3.27Å; K23-E46 WeakPolarHBondContact CE-OE2 3.43Å; K23-E46 IonicContact NZ-OE1 2.91Å; K23-E46 PolarHBondContact NZ-OE1 3.13Å; K23-E46 IonicContact NZ-OE2 2.65Å; W25-E46 HydrophobicContact CH2-CG 4.34Å; W25-E46 HydrophobicContact CZ2-CG 4.26Å; E46-G49 VanDerWaalsContact OE1-CA 3.27Å; E46-G49 WeakPolarHBondContact OE1-CA 3.23Å; E46-G49 PolarHBondContact OE1-N 3.18Å
47H87.9Confident88Confident52 Ų5260 Ų6024%0.24135%0.349CS..EExtended strand (participates in β ladder)trans-134.7123168.2-166.7-82.7000109G49 R50 Y52 Y58 F62H47-G49 VanDerWaalsContact C-N 3.34Å; H47-G49 PolarHBondContact O-N 3.14Å; H47-R50 PolarHBondContact N-O 3.22Å; H47-R50 WeakPolarHBondContact O-CB 3.38Å; H47-R50 PolarHBondContact O-N 2.73Å; H47-Y52 HydrophobicContact CB-CD2 3.97Å; H47-Y52 HydrophobicContact CB-CE2 3.8Å; H47-Y58 HydrophobicContact CB-CD2 4.47Å; H47-Y58 HydrophobicContact CB-CE2 3.95Å; H47-F62 HydrophobicContact CB-CD2 3.96Å; H47-F62 HydrophobicContact CB-CE1 4.42Å; H47-F62 HydrophobicContact CB-CE2 3.64Å; H47-F62 HydrophobicContact CB-CG 4.48Å; H47-F62 HydrophobicContact CB-CZ 3.89Å; H47-F62 AromaticContact CD2-CD1 3.46Å; H47-F62 VanDerWaalsContact CD2-CD1 3.46Å; H47-F62 WeakPolarHBondContact CD2-CD1 3.43Å; H47-F62 AromaticContact CD2-CD2 3.85Å; H47-F62 AromaticContact CD2-CE1 3.8Å; H47-F62 AromaticContact CD2-CG 3.48Å; H47-F62 VanDerWaalsContact CD2-CG 3.48Å; H47-F62 WeakPolarHBondContact CD2-CG 3.25Å; H47-F62 AromaticContact CE1-CD1 3.43Å; H47-F62 VanDerWaalsContact CE1-CD1 3.43Å; H47-F62 WeakPolarHBondContact CE1-CD1 3.46Å; H47-F62 AromaticContact CE1-CE1 3.24Å; H47-F62 WeakPolarHBondContact CE1-CE1 3.34Å; H47-F62 AromaticContact CE1-CZ 3.92Å; H47-F62 AromaticContact CG-CD1 3.75Å; H47-F62 AromaticContact CG-CD2 3.83Å; H47-F62 AromaticContact CG-CE1 3.59Å; H47-F62 AromaticContact CG-CE2 3.68Å; H47-F62 AromaticContact CG-CG 3.87Å; H47-F62 AromaticContact CG-CZ 3.55Å; H47-F62 AromaticContact ND1-CD1 3.73Å; H47-F62 AromaticContact ND1-CE1 3.23Å; H47-F62 WeakPolarHBondContact ND1-CE1 3.29Å; H47-F62 AromaticContact ND1-CZ 3.41Å; H47-F62 WeakPolarHBondContact ND1-CZ 3.31Å; H47-F62 AromaticContact NE2-CD1 3.25Å; H47-F62 VanDerWaalsContact NE2-CD1 3.25Å; H47-F62 WeakPolarHBondContact NE2-CD1 3.5Å; H47-F62 AromaticContact NE2-CE1 3.6Å; H47-F62 AromaticContact NE2-CG 3.76Å
48N84.6Confident88.1Confident139 Ų13960.9 Ų60.974%0.74334%0.344SS*.THydrogen-bonded Turntrans50.544.2180-63.2-24.7000114.7R50N48-R50 PolarHBondContact O-N 3.43Å
49G82.9Confident88Confident15 Ų1557.7 Ų57.716%0.15533%0.333CS..THydrogen-bonded Turntrans75.67.2-179.800000114.6W25 E46 H47W25-G49 VanDerWaalsContact CH2-O 3.31Å; W25-G49 WeakPolarHBondContact CH2-O 3.17Å; E46-G49 VanDerWaalsContact OE1-CA 3.27Å; E46-G49 WeakPolarHBondContact OE1-CA 3.23Å; E46-G49 PolarHBondContact OE1-N 3.18Å; H47-G49 VanDerWaalsContact C-N 3.34Å; H47-G49 PolarHBondContact O-N 3.14Å
50R88.3Confident87.9Confident116 Ų11659.4 Ų59.444%0.43835%0.35SS..EExtended strand (participates in β ladder)trans-117.1130.3-178.5-58.9174.9117.5-157.2-10.2110.1E33 H47 N48 Y52E33-R50 IonicContact OE1-CZ 3.71Å; E33-R50 IonicContact OE1-NE 3.49Å; E33-R50 IonicContact OE1-NH1 3.98Å; E33-R50 PolarHBondContact OE1-NH1 3Å; E33-R50 IonicContact OE1-NH2 2.75Å; E33-R50 PolarHBondContact OE1-NH2 3.3Å; E33-R50 WeakPolarHBondContact OE2-CD 3.38Å; E33-R50 IonicContact OE2-CZ 2.88Å; E33-R50 IonicContact OE2-NE 3.6Å; E33-R50 PolarHBondContact OE2-NE 2.73Å; E33-R50 IonicContact OE2-NH1 2.67Å; E33-R50 PolarHBondContact OE2-NH1 3.29Å; E33-R50 IonicContact OE2-NH2 2.69Å; E33-R50 PolarHBondContact OE2-NH2 3.04Å; H47-R50 PolarHBondContact N-O 3.22Å; H47-R50 WeakPolarHBondContact O-CB 3.38Å; H47-R50 PolarHBondContact O-N 2.73Å; N48-R50 PolarHBondContact O-N 3.43Å; R50-Y52 HydrophobicContact CB-CE2 3.75Å; R50-Y52 VanDerWaalsContact O-CD2 3.23Å; R50-Y52 WeakPolarHBondContact O-CD2 3.25Å; R50-Y52 WeakPolarHBondContact O-CE2 3.46Å
51P91.8Very high87.8Confident0 Ų057.9 Ų57.90%034%0.335CS..EExtended strand (participates in β ladder)trans-86.9138.5-177.334-33.1000110.9W25 L30 C32 E33 L39W25-P51 HydrophobicContact CE3-CG 4.36Å; W25-P51 HydrophobicContact CH2-CB 4.22Å; W25-P51 HydrophobicContact CH2-CG 4.13Å; W25-P51 HydrophobicContact CZ3-CB 4.36Å; W25-P51 HydrophobicContact CZ3-CG 3.81Å; L30-P51 HydrophobicContact CD1-CB 4.26Å; C32-P51 WeakPolarHBondContact CA-O 3.38Å; E33-P51 PolarHBondContact N-O 3.12Å; L39-P51 HydrophobicContact CD1-CB 3.75Å; L39-P51 HydrophobicContact CD1-CG 4.36Å
52Y91.7Very high87.8Confident13 Ų1357 Ų575%0.05132%0.323CS..EExtended strand (participates in β ladder)trans-134150.2-179.6-63.1-85.3000111.7E33 H44 A45 H47 R50 L61 F62E33-Y52 HydrophobicContact CB-CD1 4.48Å; E33-Y52 HydrophobicContact CB-CE1 3.85Å; E33-Y52 PolarHBondContact OE2-OH 2.87Å; H44-Y52 WeakPolarHBondContact CB-O 3.47Å; A45-Y52 PolarHBondContact N-O 3.29Å; A45-Y52 PolarHBondContact O-N 3.28Å; H47-Y52 HydrophobicContact CB-CD2 3.97Å; H47-Y52 HydrophobicContact CB-CE2 3.8Å; R50-Y52 HydrophobicContact CB-CE2 3.75Å; R50-Y52 VanDerWaalsContact O-CD2 3.23Å; R50-Y52 WeakPolarHBondContact O-CD2 3.25Å; R50-Y52 WeakPolarHBondContact O-CE2 3.46Å; Y52-L61 HydrophobicContact CD1-CD1 4.09Å; Y52-L61 HydrophobicContact CE1-CD1 3.76Å; Y52-F62 HydrophobicContact CD1-CE2 4.48Å; Y52-F62 AromaticContact CD2-CE2 3.89Å; Y52-F62 HydrophobicContact CD2-CE2 3.89Å; Y52-F62 HydrophobicContact CE1-CE2 4.31Å; Y52-F62 AromaticContact CE2-CE2 3.66Å; Y52-F62 HydrophobicContact CE2-CE2 3.66Å; Y52-F62 HydrophobicContact CE2-CZ 4.01Å; Y52-F62 HydrophobicContact CG-CE2 4.3Å; Y52-F62 AromaticContact CZ-CE2 3.9Å
53C92.3Very high87.7Confident21 Ų2155.5 Ų55.514%0.14231%0.307CS..  trans-62.1137.3168.5-54.60000110.4C35 L39 K55 C57 Y58C35-C53 PolarHBondContact SG-SG 3.31Å; L39-C53 HydrophobicContact CD2-CB 4.34Å; L39-C53 VanDerWaalsContact CD2-SG 3.53Å; C53-K55 VanDerWaalsContact C-N 3.27Å; C53-K55 PolarHBondContact O-N 3.44Å; C53-C57 HydrophobicContact CB-CB 4Å; C53-Y58 WeakPolarHBondContact O-CB 3.38Å; C53-Y58 PolarHBondContact O-N 2.9Å
54H88.7Confident87.5Confident104 Ų10460 Ų6048%0.48133%0.328SS..Iπ-helixtrans-53.7-44.4173.4-75.1-71.4000112.3G43 H44G43-H54 VanDerWaalsContact C-CD2 3.43Å; G43-H54 PolarHBondContact O-CD2 3.15Å; H44-H54 VanDerWaalsContact C-CE1 3.49Å; H44-H54 WeakPolarHBondContact CA-NE2 3.12Å; H44-H54 PolarHBondContact N-NE2 2.93Å; H44-H54 PolarHBondContact O-CE1 3.34Å; H44-H54 PolarHBondContact O-NE2 2.63Å
55K85Confident86.1Confident190 Ų19069 Ų6983%0.82636%0.363SS*.Iπ-helixtrans-137.8139.4174.3-69.1176.3177.8166.90109.5C53C53-K55 VanDerWaalsContact C-N 3.27Å; C53-K55 PolarHBondContact O-N 3.44Å
56P87.8Confident84.5Confident104 Ų10471.5 Ų71.568%0.67539%0.388SS*.Iπ-helixcis-86.5-9-6.234.5-34.3000114.1A60P56-A60 VanDerWaalsContact O-CB 3.25Å; P56-A60 WeakPolarHBondContact O-CB 3.25Å; P56-A60 PolarHBondContact O-N 3.49Å; P56-A60 VanDerWaalsContact O-N 3.12Å
57C89.9Confident82.8Confident5 Ų575 Ų753%0.03441%0.413CS..Iπ-helixtrans-64.3-52.6-164.4-60.60000114.5R34 C53 L61R34-C57 HydrophobicContact CB-CB 4.2Å; C53-C57 HydrophobicContact CB-CB 4Å; C57-L61 PolarHBondContact O-N 3.47Å
58Y90.6Very high81Confident79 Ų7980.8 Ų80.831%0.3145%0.445SS..Iπ-helixtrans-66.5-49.4-176.6-175.2-91.4000111.5A45 H47 C53 A60 L61 F62A45-Y58 HydrophobicContact CB-CD1 4.07Å; A45-Y58 HydrophobicContact CB-CD2 3.27Å; A45-Y58 HydrophobicContact CB-CE1 4.39Å; A45-Y58 HydrophobicContact CB-CE2 3.62Å; A45-Y58 HydrophobicContact CB-CG 3.51Å; H47-Y58 HydrophobicContact CB-CD2 4.47Å; H47-Y58 HydrophobicContact CB-CE2 3.95Å; C53-Y58 WeakPolarHBondContact O-CB 3.38Å; C53-Y58 PolarHBondContact O-N 2.9Å; Y58-A60 VanDerWaalsContact C-N 3.29Å; Y58-A60 PolarHBondContact O-N 2.83Å; Y58-L61 PolarHBondContact O-N 3.05Å; Y58-L61 VanDerWaalsContact O-N 3.15Å; Y58-F62 AromaticContact CD2-CD2 3.72Å; Y58-F62 HydrophobicContact CD2-CD2 3.72Å; Y58-F62 HydrophobicContact CD2-CE2 4.39Å; Y58-F62 HydrophobicContact CE1-CB 4.47Å; Y58-F62 AromaticContact CE2-CD2 3.97Å; Y58-F62 HydrophobicContact CE2-CD2 3.97Å; Y58-F62 HydrophobicContact CG-CD2 4.24Å; Y58-F62 PolarHBondContact O-N 3.39Å
59G87.8Confident79.3Confident41 Ų4181 Ų8142%0.42345%0.445SS..Hα-helixtrans-59.9-34.9178.400000114G63G59-G63 WeakPolarHBondContact O-CA 3.37Å; G59-G63 PolarHBondContact O-N 3.29Å
60A86.4Confident77.8Confident54 Ų5483.7 Ų83.745%0.44647%0.472SS..Hα-helixtrans-77.3-20.2178.600000114.3R34 P56 Y58R34-A60 VanDerWaalsContact NH1-CB 3.27Å; P56-A60 VanDerWaalsContact O-CB 3.25Å; P56-A60 WeakPolarHBondContact O-CB 3.25Å; P56-A60 PolarHBondContact O-N 3.49Å; P56-A60 VanDerWaalsContact O-N 3.12Å; Y58-A60 VanDerWaalsContact C-N 3.29Å; Y58-A60 PolarHBondContact O-N 2.83Å
61L84.2Confident76Confident49 Ų4981.6 Ų81.626%0.25749%0.487SS..Hα-helixtrans-99.3-39179.5-71.1173.9000112.8Y52 C57 Y58 R65Y52-L61 HydrophobicContact CD1-CD1 4.09Å; Y52-L61 HydrophobicContact CE1-CD1 3.76Å; C57-L61 PolarHBondContact O-N 3.47Å; Y58-L61 PolarHBondContact O-N 3.05Å; Y58-L61 VanDerWaalsContact O-N 3.15Å; L61-R65 PolarHBondContact O-NH1 3.24Å
62F86.6Confident73.7Confident68 Ų6888.3 Ų88.330%0.29853%0.528SS..Hα-helixtrans-127.1-1.6-169-48.2-67.4000112.8H47 Y52 Y58H47-F62 HydrophobicContact CB-CD2 3.96Å; H47-F62 HydrophobicContact CB-CE1 4.42Å; H47-F62 HydrophobicContact CB-CE2 3.64Å; H47-F62 HydrophobicContact CB-CG 4.48Å; H47-F62 HydrophobicContact CB-CZ 3.89Å; H47-F62 AromaticContact CD2-CD1 3.46Å; H47-F62 VanDerWaalsContact CD2-CD1 3.46Å; H47-F62 WeakPolarHBondContact CD2-CD1 3.43Å; H47-F62 AromaticContact CD2-CD2 3.85Å; H47-F62 AromaticContact CD2-CE1 3.8Å; H47-F62 AromaticContact CD2-CG 3.48Å; H47-F62 VanDerWaalsContact CD2-CG 3.48Å; H47-F62 WeakPolarHBondContact CD2-CG 3.25Å; H47-F62 AromaticContact CE1-CD1 3.43Å; H47-F62 VanDerWaalsContact CE1-CD1 3.43Å; H47-F62 WeakPolarHBondContact CE1-CD1 3.46Å; H47-F62 AromaticContact CE1-CE1 3.24Å; H47-F62 WeakPolarHBondContact CE1-CE1 3.34Å; H47-F62 AromaticContact CE1-CZ 3.92Å; H47-F62 AromaticContact CG-CD1 3.75Å; H47-F62 AromaticContact CG-CD2 3.83Å; H47-F62 AromaticContact CG-CE1 3.59Å; H47-F62 AromaticContact CG-CE2 3.68Å; H47-F62 AromaticContact CG-CG 3.87Å; H47-F62 AromaticContact CG-CZ 3.55Å; H47-F62 AromaticContact ND1-CD1 3.73Å; H47-F62 AromaticContact ND1-CE1 3.23Å; H47-F62 WeakPolarHBondContact ND1-CE1 3.29Å; H47-F62 AromaticContact ND1-CZ 3.41Å; H47-F62 WeakPolarHBondContact ND1-CZ 3.31Å; H47-F62 AromaticContact NE2-CD1 3.25Å; H47-F62 VanDerWaalsContact NE2-CD1 3.25Å; H47-F62 WeakPolarHBondContact NE2-CD1 3.5Å; H47-F62 AromaticContact NE2-CE1 3.6Å; H47-F62 AromaticContact NE2-CG 3.76Å; Y52-F62 HydrophobicContact CD1-CE2 4.48Å; Y52-F62 AromaticContact CD2-CE2 3.89Å; Y52-F62 HydrophobicContact CD2-CE2 3.89Å; Y52-F62 HydrophobicContact CE1-CE2 4.31Å; Y52-F62 AromaticContact CE2-CE2 3.66Å; Y52-F62 HydrophobicContact CE2-CE2 3.66Å; Y52-F62 HydrophobicContact CE2-CZ 4.01Å; Y52-F62 HydrophobicContact CG-CE2 4.3Å; Y52-F62 AromaticContact CZ-CE2 3.9Å; Y58-F62 AromaticContact CD2-CD2 3.72Å; Y58-F62 HydrophobicContact CD2-CD2 3.72Å; Y58-F62 HydrophobicContact CD2-CE2 4.39Å; Y58-F62 HydrophobicContact CE1-CB 4.47Å; Y58-F62 AromaticContact CE2-CD2 3.97Å; Y58-F62 HydrophobicContact CE2-CD2 3.97Å; Y58-F62 HydrophobicContact CG-CD2 4.24Å; Y58-F62 PolarHBondContact O-N 3.39Å
63G81.4Confident71.8Confident21 Ų2191.1 Ų91.122%0.21656%0.561CS.*SBendtrans-64.9156.7167.300000110.5G59 R65G59-G63 WeakPolarHBondContact O-CA 3.37Å; G59-G63 PolarHBondContact O-N 3.29Å; G63-R65 PolarHBondContact O-N 3.43Å
64P80.2Confident69.4Low136 Ų13694.9 Ų94.988%0.88359%0.587SS**  trans-52.8113.4175.822.2-32.3000108.9G66P64-G66 PolarHBondContact O-N 2.96Å
65R59.9Low67.6Low193 Ų19399.6 Ų99.673%0.72860%0.602SS**  trans-74.171.7175.3-78.7-174.8154.290.71.1108.4L61 G63 V67L61-R65 PolarHBondContact O-NH1 3.24Å; G63-R65 PolarHBondContact O-N 3.43Å; R65-V67 PolarHBondContact O-N 3.29Å
66G57.4Low65.8Low60 Ų6097.6 Ų97.662%0.61960%0.6SS**  trans-66.5113.1169.800000108.7P64 N68P64-G66 PolarHBondContact O-N 2.96Å; G66-N68 PolarHBondContact O-N 2.9Å
67V54.3Low63.7Low115 Ų115102.7 Ų102.770%0.69761%0.607SS**  trans-36.5133.1154.1-84.60000109.5R65 I69R65-V67 PolarHBondContact O-N 3.29Å; V67-I69 HydrophobicContact CB-CG1 4.36Å; V67-I69 HydrophobicContact CG2-CD1 3.8Å; V67-I69 HydrophobicContact CG2-CG1 4.11Å; V67-I69 PolarHBondContact O-N 3.28Å
68N48.3Very low61.6Low173 Ų173109.4 Ų109.493%0.92564%0.643SS**  trans-65.174.3166.3-69.8-75.3000108.6G66G66-N68 PolarHBondContact O-N 2.9Å
69I50.5Low59.2Low144 Ų144110 Ų11074%0.73866%0.664SS**  trans-91107.6154.7-62.7165.7000103.2V67 G71V67-I69 HydrophobicContact CB-CG1 4.36Å; V67-I69 HydrophobicContact CG2-CD1 3.8Å; V67-I69 HydrophobicContact CG2-CG1 4.11Å; V67-I69 PolarHBondContact O-N 3.28Å; I69-G71 PolarHBondContact O-N 2.86Å
70G51.5Low57.2Low71 Ų71113.7 Ų113.773%0.73268%0.68SS**  trans-49.8135-17200000112.4
71G49.8Very low55.3Low73 Ų73117.8 Ų117.875%0.75370%0.7SS**SBendtrans54.485.9152.800000116.6I69I69-G71 PolarHBondContact O-N 2.86Å
72V44Very low53.3Low141 Ų141121.4 Ų121.486%0.85573%0.726SS**  trans164.2127.4132.4153.30000106.8S74V72-S74 PolarHBondContact O-N 3.46Å
73G51.3Low51.1Low72 Ų72123.6 Ų123.674%0.74275%0.75SS**  trans-64.3130.3-177.200000112.2
74S42.5Very low49.3Very low99 Ų99128.6 Ų128.669%0.69278%0.779SS**  trans-121.2101.8160.658.60000108.2V72 L76V72-S74 PolarHBondContact O-N 3.46Å; S74-L76 PolarHBondContact O-N 2.82Å
75Y50.6Low47.3Very low204 Ų204125.5 Ų125.580%0.877%0.771SS**  trans-67.9108.3161.449.4-84.5000107Y77Y75-Y77 HydrophobicContact CD2-CD2 4.43Å
76L45.9Very low46.2Very low148 Ų148121.7 Ų121.778%0.77578%0.775SS**  trans-82.4114157.9-107.289.2000106.8S74S74-L76 PolarHBondContact O-N 2.82Å
77Y45.6Very low45.6Very low210 Ų210125 Ų12582%0.82478%0.783SS**PPolyproline II helixtrans-86.6123.1156.3-98-93000107.8Y75 A79Y75-Y77 HydrophobicContact CD2-CD2 4.43Å; Y77-A79 PolarHBondContact O-N 3.38Å
78N45.6Very low45.2Very low147 Ų147126 Ų12679%0.78679%0.79SS**PPolyproline II helixtrans-64.8119.9161.6-89.919.8000108
79A39.1Very low45.1Very low92 Ų92123.5 Ų123.576%0.7678%0.783SS**PPolyproline II helixtrans-74.5135.6169.600000110Y77Y77-A79 PolarHBondContact O-N 3.38Å
80P46.4Very low44.7Very low117 Ų117125.1 Ų125.176%0.7679%0.792SS**PPolyproline II helixtrans-78.3131.7159.615.6-1.3000109.2
81T47Very low44.9Very low141 Ų141127.1 Ų127.187%0.86580%0.795SS**PPolyproline II helixtrans-56.9137.5165.7320000110.8
82P41.5Very low45Very low124 Ų124129 Ų12981%0.80579%0.794SS**  -139.4161.9115.830.3-12.7000113.4
83S39.6Very low45.2Very low115 Ų115127.3 Ų127.380%0.80479%0.788SS**  trans-81.3-171.2-174640000112.5
84P45.1Very low44.7Very low126 Ų126129.7 Ų129.782%0.81879%0.794SS**  -103.1157.8-123.334.2-16.5000115
85G37.2Very low45.3Very low70 Ų70134.9 Ų134.972%0.72280%0.804SS**  trans113.8103.1146.900000115.8
86S37.6Very low45.5Very low114 Ų114130.6 Ų130.680%0.79780%0.804SS**  171.110611539.30000111.5
87T44.7Very low46.5Very low130 Ų130129.1 Ų129.180%0.79880%0.803SS**  trans37.1112.3137.8-8.40000120.3
88T45.6Very low47Very low136 Ų136125.1 Ų125.183%0.83480%0.803SS**  -166.2140.9121.112.60000110.7
89P45.4Very low47.2Very low119 Ų119128.8 Ų128.877%0.77381%0.806SS**PPolyproline II helixtrans-86.3127-174.832.5-29.8000111.5
90L43.8Very low47.5Very low178 Ų178129.3 Ų129.393%0.93280%0.801SS**PPolyproline II helixtrans-101119.9166.5-82.7151.3000109.3
91S54.8Low47.6Very low114 Ų114135.5 Ų135.580%0.79781%0.809SS**PPolyproline II helixtrans-67.5162.8175.5-79.30000112.7
92P52.1Low47.5Very low112 Ų112134.3 Ų134.373%0.72780%0.802SS**PPolyproline II helixtrans-91.8150.2-162.836.4-34.9000114.6
93S47.1Very low48Very low106 Ų106131.7 Ų131.774%0.74180%0.797SS**  trans72.9117.5144-52.10000120.6
94S42.2Very low48.3Very low122 Ų122134.2 Ų134.285%0.85380%0.801SS**  -169.182.3122.4-77.10000109.4
95F55.5Low48.4Very low208 Ų208134 Ų13491%0.91280%0.799SS**PPolyproline II helixtrans-85.1116.6169-74.9-81.9000109.1
96S54.2Low49.4Very low113 Ų113140 Ų14079%0.7981%0.809SS**PPolyproline II helixtrans-68.7138.1164.8-63.70000110.1
97P66.4Low49.5Very low117 Ų117137.4 Ų137.476%0.7680%0.8SS**PPolyproline II helixtrans-70144.2178.125.9-31.4000111.8R99P97-R99 PolarHBondContact O-N 2.79Å
98P55.7Low49.9Very low126 Ų126141.3 Ų141.382%0.81881%0.806SS**PPolyproline II helixtrans-69.9125.6168.927.5-29.6000109.7
99R50.1Low49.5Very low225 Ų225143.8 Ų143.885%0.84981%0.805SS**PPolyproline II helixtrans-62.8139179.1-164.5175.9-159.2-105.84.8111P97 R101P97-R99 PolarHBondContact O-N 2.79Å; R99-R101 PolarHBondContact O-N 2.72Å
100P45.1Very low50Low102 Ų102143.5 Ų143.566%0.66281%0.806SS**PPolyproline II helixtrans-60.3131.1172.4-20.331.6000111.1T102P100-T102 VanDerWaalsContact C-N 3.27Å; P100-T102 PolarHBondContact O-N 2.81Å
101R48.8Very low50.8Low248 Ų248140.5 Ų140.594%0.93680%0.797SS**  trans-81.678172.6-157.1-175.7-61.5-141.22.8108.5R99R99-R101 PolarHBondContact O-N 2.72Å
102T45.1Very low50.7Low115 Ų115140.7 Ų140.771%0.70680%0.796SS**  trans-63.6132.5167.7-26.30000108.5P100P100-T102 VanDerWaalsContact C-N 3.27Å; P100-T102 PolarHBondContact O-N 2.81Å
103G51.7Low51.2Low69 Ų69142.4 Ų142.471%0.71179%0.794SS**  trans-56.5138.7-174.300000113.4
104L45.4Very low51.5Low168 Ų168146 Ų14688%0.8880%0.801SS**  trans-105.6127.6163.4-127.282.3000108.1
105P48.9Very low53Low121 Ų121147.9 Ų147.979%0.78679%0.793SS**  trans-68.4152.118026.6-32.4000112.2G107P105-G107 PolarHBondContact O-N 3.5Å
106Q57Low52.6Low198 Ų198144.5 Ų144.593%0.92579%0.79SS**  trans-46.6117.1175.9-71.8164.2-31.600112.3
107G41Very low52.3Low59 Ų59147.7 Ų147.761%0.60879%0.79SS**  trans-108.6101.5163.400000109.5P105 K109P105-G107 PolarHBondContact O-N 3.5Å; G107-K109 PolarHBondContact O-N 3.21Å
108K51.1Low51.6Low211 Ų211148.3 Ų148.392%0.91779%0.792SS**  trans-59.1113.2165.5-62.4176.2-179.6177.50107.6
109K38.5Very low51.7Low189 Ų189145.1 Ų145.182%0.82278%0.782SS**  trans-131.1100.4169-53.7-173.9-170.7-175.60107G107G107-K109 PolarHBondContact O-N 3.21Å
110S55.1Low52.3Low112 Ų112143.8 Ų143.878%0.78379%0.785SS**PPolyproline II helixtrans-52.8137.1165.4380000109.5
111P61.5Low53.5Low115 Ų115143.8 Ų143.875%0.74778%0.783SS**PPolyproline II helixtrans-68.6147.1169.127-28.6000109.8
112P52.9Low55Low119 Ų119133.2 Ų133.277%0.77375%0.748SS**PPolyproline II helixtrans-71.4136.1-175.929.9-31.8000110.2M114P112-M114 PolarHBondContact O-N 2.86Å
113H62.6Low57.2Low148 Ų148133.1 Ų133.169%0.68574%0.742SS**  trans-64.286.6174.8-172.9-39.8000110.6K115H113-K115 WeakPolarHBondContact CE1-CE 3.34Å; H113-K115 WeakPolarHBondContact CE1-CG 3.41Å; H113-K115 WeakPolarHBondContact ND1-CG 3.45Å; H113-K115 PolarHBondContact O-N 2.92Å
114M53.5Low59Low182 Ų182129.9 Ų129.990%0.89771%0.709SS**  trans-76.4112.6160.7-83.4-156.8163.800109.3P112P112-M114 PolarHBondContact O-N 2.86Å
115K72Confident61Low160 Ų160124.2 Ų124.270%0.69668%0.682SS**  trans-79.3151.4165.7-53.7-161.5-179.6-173.60108.4H113H113-K115 WeakPolarHBondContact CE1-CE 3.34Å; H113-K115 WeakPolarHBondContact CE1-CG 3.41Å; H113-K115 WeakPolarHBondContact ND1-CG 3.45Å; H113-K115 PolarHBondContact O-N 2.92Å
116T47.7Very low62.8Low138 Ų138120.5 Ų120.585%0.84767%0.666SS**  trans118.6127.9169.7-52.40000109.9
117F47.2Very low64.3Low180 Ų180114 Ų11479%0.78964%0.642SS**SBendcis-153.8126.218.2-171.2-115000106.5G119F117-G119 PolarHBondContact O-N 2.95Å
118T53.2Low66.5Low129 Ų129113.7 Ų113.779%0.79164%0.638SS**  trans3179.5164.456.20000118.2
119G56.7Low68.2Low59 Ų59109.5 Ų109.561%0.60862%0.622SS**  trans-156.1128160.800000108.4F117 T121F117-G119 PolarHBondContact O-N 2.95Å; G119-T121 PolarHBondContact O-N 3.02Å
120E64.3Low70.7Confident197 Ų197101.9 Ų101.992%0.92159%0.592SS**  trans-56.1104176.6-72.1175.5160.300109.6S122E120-S122 PolarHBondContact O-N 3.19Å
121T68.4Low72.3Confident102 Ų10297 Ų9763%0.62656%0.557SS**  trans-73.197.5177.551.40000108.4G119 L123G119-T121 PolarHBondContact O-N 3.02Å; T121-L123 PolarHBondContact O-N 2.97Å
122S81.8Confident73.6Confident27 Ų2798.9 Ų98.919%0.18955%0.55CS.*PPolyproline II helixtrans-71.9116.8177.1550000110.9E120 V131 N143E120-S122 PolarHBondContact O-N 3.19Å; S122-V131 WeakPolarHBondContact O-CB 3.28Å; S122-V131 PolarHBondContact O-N 3.48Å; S122-N143 VanDerWaalsContact CB-CG 3.46Å; S122-N143 WeakPolarHBondContact CB-ND2 3.39Å; S122-N143 VanDerWaalsContact OG-CB 3.3Å; S122-N143 WeakPolarHBondContact OG-CB 3.38Å; S122-N143 PolarHBondContact OG-ND2 3.43Å
123L90Very high75.1Confident112 Ų112102.5 Ų102.559%0.58655%0.554SS**BIsolated β-bridgetrans-77.2142.6-179.6-62167.5000111.5T121 P125 P130T121-L123 PolarHBondContact O-N 2.97Å; L123-P125 WeakPolarHBondContact O-CD 3.42Å; L123-P130 HydrophobicContact CD2-CB 4.44Å
124C90.6Very high76.2Confident1 Ų1100.3 Ų100.31%0.00756%0.562CS.*PPolyproline II helixtrans-78120.6174.8-174.90000110.2G126 C127 G128 E129 V131 N143 H145 C148C124-G126 PolarHBondContact O-N 3.32Å; C124-G126 PolarHBondContact SG-N 3.36Å; C124-C127 WeakPolarHBondContact CB-SG 3.38Å; C124-C127 PolarHBondContact O-N 3.36Å; C124-C127 VanDerWaalsContact SG-SG 3.65Å; C124-G128 VanDerWaalsContact O-CA 3.31Å; C124-G128 WeakPolarHBondContact O-CA 3.5Å; C124-G128 PolarHBondContact O-N 3.42Å; C124-E129 WeakPolarHBondContact CB-O 3.28Å; C124-E129 PolarHBondContact N-O 3.33Å; C124-V131 HydrophobicContact CB-CG2 3.41Å; C124-V131 VanDerWaalsContact CB-CG2 3.41Å; C124-N143 WeakPolarHBondContact CA-O 3.3Å; C124-H145 VanDerWaalsContact CB-CE1 3.5Å; C124-H145 WeakPolarHBondContact CB-CE1 3.38Å; C124-H145 WeakPolarHBondContact CB-ND1 3.41Å; C124-H145 PolarHBondContact SG-ND1 3.34Å; C124-C148 VanDerWaalsContact SG-CB 3.52Å
125P86.7Confident77.5Confident49 Ų4997 Ų9732%0.31854%0.544SS..THydrogen-bonded Turntrans-71.6-14.8178.329.3-35.9000114.4L123 R142 N143 W144L123-P125 WeakPolarHBondContact O-CD 3.42Å; P125-R142 VanDerWaalsContact CB-CZ 3.45Å; P125-N143 WeakPolarHBondContact CD-O 3.03Å; P125-W144 HydrophobicContact CB-CH2 4Å; P125-W144 HydrophobicContact CB-CZ2 4.21Å; P125-W144 HydrophobicContact CB-CZ3 4.35Å; P125-W144 HydrophobicContact CG-CD2 3.61Å; P125-W144 HydrophobicContact CG-CE3 3.76Å; P125-W144 HydrophobicContact CG-CG 4.4Å; P125-W144 HydrophobicContact CG-CH2 3.37Å; P125-W144 HydrophobicContact CG-CZ2 3.26Å; P125-W144 HydrophobicContact CG-CZ3 3.65Å
126G86.2Confident78.3Confident43 Ų4392.8 Ų92.844%0.44353%0.526SS..THydrogen-bonded Turntrans-82.7-21.8175.700000114.9C124C124-G126 PolarHBondContact O-N 3.32Å; C124-G126 PolarHBondContact SG-N 3.36Å
127C88.9Confident80.3Confident63 Ų6386.7 Ų86.743%0.42649%0.488SS..THydrogen-bonded Turntrans-139.2-10.7-176.761.20000115.2C124 E129 H145 C148C124-C127 WeakPolarHBondContact CB-SG 3.38Å; C124-C127 PolarHBondContact O-N 3.36Å; C124-C127 VanDerWaalsContact SG-SG 3.65Å; C127-E129 PolarHBondContact O-N 3.21Å; C127-H145 PolarHBondContact SG-CE1 2.74Å; C127-H145 PolarHBondContact SG-ND1 2.98Å; C127-C148 VanDerWaalsContact SG-SG 3.65Å
128G86.9Confident82.2Confident51 Ų5183.4 Ų83.453%0.52648%0.477SS..SBendtrans80.7-10-178.800000114.9C124C124-G128 VanDerWaalsContact O-CA 3.31Å; C124-G128 WeakPolarHBondContact O-CA 3.5Å; C124-G128 PolarHBondContact O-N 3.42Å
129E88.7Confident83.7Confident123 Ų12377.5 Ų77.558%0.57544%0.441SS*.SBendtrans-80.5151.2-179-67.1-66154.800112.2C124 C127 V131C124-E129 WeakPolarHBondContact CB-O 3.28Å; C124-E129 PolarHBondContact N-O 3.33Å; C127-E129 PolarHBondContact O-N 3.21Å; E129-V131 PolarHBondContact O-N 3.22Å
130P89.9Confident85Confident30 Ų3079.5 Ų79.520%0.19544%0.437CS..BIsolated β-bridgetrans-65.5130177.427.9-33.7000111L123 Y132L123-P130 HydrophobicContact CD2-CB 4.44Å; P130-Y132 HydrophobicContact CB-CE2 4.45Å; P130-Y132 HydrophobicContact CG-CE2 4Å; P130-Y132 PolarHBondContact O-N 2.91Å
131V89.5Confident85.9Confident9 Ų973.5 Ų73.56%0.05543%0.428CS..  trans-88.5111.7177.7-174.50000109.3S122 C124 E129 K136 N143S122-V131 WeakPolarHBondContact O-CB 3.28Å; S122-V131 PolarHBondContact O-N 3.48Å; C124-V131 HydrophobicContact CB-CG2 3.41Å; C124-V131 VanDerWaalsContact CB-CG2 3.41Å; E129-V131 PolarHBondContact O-N 3.22Å; V131-K136 VanDerWaalsContact CG1-CA 3.41Å; V131-K136 HydrophobicContact CG1-CB 3.72Å; V131-K136 HydrophobicContact CG1-CG 4.24Å; V131-N143 HydrophobicContact CB-CB 4.31Å; V131-N143 HydrophobicContact CG2-CB 4.38Å
132Y87.6Confident86.8Confident155 Ų15572.9 Ų72.961%0.60841%0.414SS*.  trans-81.7157.8174.3-62.2-78.2000111.8P130 A134 E135 K136P130-Y132 HydrophobicContact CB-CE2 4.45Å; P130-Y132 HydrophobicContact CG-CE2 4Å; P130-Y132 PolarHBondContact O-N 2.91Å; Y132-A134 PolarHBondContact O-N 3.46Å; Y132-A134 VanDerWaalsContact O-N 3.09Å; Y132-E135 PolarHBondContact O-N 2.89Å; Y132-K136 WeakPolarHBondContact O-CB 3.36Å; Y132-K136 PolarHBondContact O-N 2.83Å
133F84.8Confident87.2Confident194 Ų19472.7 Ų72.785%0.85141%0.411SS*.THydrogen-bonded Turntrans-53.2-35.5-175.1-165.3-92.1000113.7E135F133-E135 VanDerWaalsContact C-N 3.31Å; F133-E135 PolarHBondContact O-N 3.27Å
134A84.9Confident87.3Confident103 Ų10367.6 Ų67.685%0.85138%0.384SS*.THydrogen-bonded Turntrans-64.6-31.2179.900000113.9Y132Y132-A134 PolarHBondContact O-N 3.46Å; Y132-A134 VanDerWaalsContact O-N 3.09Å
135E82.4Confident87.4Confident112 Ų11268.3 Ų68.352%0.52339%0.387SS..THydrogen-bonded Turntrans-110.5-2.1-175.6-60.2-168.6139.600113.1Y132 F133 V137 H145Y132-E135 PolarHBondContact O-N 2.89Å; F133-E135 VanDerWaalsContact C-N 3.31Å; F133-E135 PolarHBondContact O-N 3.27Å; E135-V137 PolarHBondContact O-N 3.09Å; E135-H145 IonicContact OE2-CD2 3.46Å; E135-H145 PolarHBondContact OE2-CD2 3.48Å; E135-H145 IonicContact OE2-NE2 2.8Å
136K87.3Confident87.5Confident71 Ų7174.3 Ų74.331%0.30940%0.403SS..EExtended strand (participates in β ladder)trans-65.4129.2-173.3176.4170152151.80112.5V131 Y132 M138 N143V131-K136 VanDerWaalsContact CG1-CA 3.41Å; V131-K136 HydrophobicContact CG1-CB 3.72Å; V131-K136 HydrophobicContact CG1-CG 4.24Å; Y132-K136 WeakPolarHBondContact O-CB 3.36Å; Y132-K136 PolarHBondContact O-N 2.83Å; K136-M138 HydrophobicContact CD-CG 4.5Å; K136-M138 VanDerWaalsContact CE-CG 3.4Å; K136-M138 WeakPolarHBondContact CE-SD 3.23Å; K136-M138 HydrophobicContact CG-CG 4.35Å; K136-N143 VanDerWaalsContact CD-OD1 3.23Å; K136-N143 WeakPolarHBondContact CD-OD1 3.49Å; K136-N143 WeakPolarHBondContact CE-OD1 3.49Å; K136-N143 HydrophobicContact CG-CB 4.46Å; K136-N143 WeakPolarHBondContact CG-OD1 2.83Å; K136-N143 PolarHBondContact NZ-OD1 2.82Å
137V89.6Confident87.7Confident10 Ų1076.5 Ų76.56%0.06141%0.41CS..EExtended strand (participates in β ladder)trans-125.9120.1168.8-171.90000107.9E135 N143 W144 R146 L149 A160E135-V137 PolarHBondContact O-N 3.09Å; V137-N143 WeakPolarHBondContact O-CA 3.11Å; V137-W144 WeakPolarHBondContact CB-O 3.48Å; V137-W144 PolarHBondContact N-O 3.13Å; V137-W144 PolarHBondContact O-N 2.95Å; V137-R146 HydrophobicContact CG2-CB 4.11Å; V137-R146 HydrophobicContact CG2-CG 4.15Å; V137-L149 HydrophobicContact CG1-CD2 4.15Å; V137-A160 HydrophobicContact CG1-CB 3.6Å
138M88.4Confident87.7Confident112 Ų11274.6 Ų74.655%0.55240%0.397SS*.EExtended strand (participates in β ladder)trans-88.5127.2174-67.1-173.167.900109.8K136 R142 N143K136-M138 HydrophobicContact CD-CG 4.5Å; K136-M138 VanDerWaalsContact CE-CG 3.4Å; K136-M138 WeakPolarHBondContact CE-SD 3.23Å; K136-M138 HydrophobicContact CG-CG 4.35Å; M138-R142 WeakPolarHBondContact CA-O 3.31Å; M138-N143 WeakPolarHBondContact CG-OD1 3.43Å
139S84.5Confident88Confident5 Ų572.3 Ų72.34%0.03537%0.373CS..EExtended strand (participates in β ladder)trans-147.1136.9167.3-164.30000110.9G141 R142 G161 H163S139-G141 PolarHBondContact O-N 3.37Å; S139-G141 VanDerWaalsContact O-N 3.1Å; S139-R142 PolarHBondContact N-O 2.69Å; S139-R142 PolarHBondContact O-N 3.46Å; S139-G161 PolarHBondContact OG-N 2.74Å; S139-H163 WeakPolarHBondContact CB-CE1 3.43Å; S139-H163 PolarHBondContact OG-CE1 3.19Å; S139-H163 PolarHBondContact OG-NE2 3.19Å
140L83.1Confident88.1Confident101 Ų10172.1 Ų72.153%0.52937%0.367SS..THydrogen-bonded Turntrans49.237.8179.2-61.5167.8000112.5R142 E165L140-R142 VanDerWaalsContact C-N 3.3Å; L140-R142 PolarHBondContact O-N 2.8Å; L140-E165 VanDerWaalsContact CB-OE2 3.26Å; L140-E165 WeakPolarHBondContact CB-OE2 3.46Å; L140-E165 HydrophobicContact CD1-CB 3.38Å; L140-E165 HydrophobicContact CD1-CG 4.42Å; L140-E165 VanDerWaalsContact CD1-OE2 3.28Å; L140-E165 WeakPolarHBondContact CD1-OE2 3.33Å
141G84.3Confident88.2Confident70 Ų7070.7 Ų70.772%0.72236%0.357SS*.THydrogen-bonded Turntrans79.30.1-18000000115.8S139S139-G141 PolarHBondContact O-N 3.37Å; S139-G141 VanDerWaalsContact O-N 3.1Å
142R87Confident88.3Confident90 Ų9074.8 Ų74.834%0.3438%0.376SS..EExtended strand (participates in β ladder)trans-113.9155.8-178.2-57.9173.780.9-163.510.4111.4P125 M138 S139 L140 E165 G168P125-R142 VanDerWaalsContact CB-CZ 3.45Å; M138-R142 WeakPolarHBondContact CA-O 3.31Å; S139-R142 PolarHBondContact N-O 2.69Å; S139-R142 PolarHBondContact O-N 3.46Å; L140-R142 VanDerWaalsContact C-N 3.3Å; L140-R142 PolarHBondContact O-N 2.8Å; R142-E165 WeakPolarHBondContact CD-OE1 3.46Å; R142-E165 IonicContact CZ-OE1 3.24Å; R142-E165 IonicContact NE-OE1 3.75Å; R142-E165 IonicContact NH1-OE1 3.91Å; R142-E165 PolarHBondContact NH1-OE1 2.67Å; R142-G168 PolarHBondContact NH1-O 3.36Å
143N90.8Very high88.3Confident23 Ų2372.3 Ų72.312%0.12337%0.366CS..EExtended strand (participates in β ladder)trans-102.6128.5-179.2-61.1-79.5000110S122 C124 P125 V131 K136 V137 M138S122-N143 VanDerWaalsContact CB-CG 3.46Å; S122-N143 WeakPolarHBondContact CB-ND2 3.39Å; S122-N143 VanDerWaalsContact OG-CB 3.3Å; S122-N143 WeakPolarHBondContact OG-CB 3.38Å; S122-N143 PolarHBondContact OG-ND2 3.43Å; C124-N143 WeakPolarHBondContact CA-O 3.3Å; P125-N143 WeakPolarHBondContact CD-O 3.03Å; V131-N143 HydrophobicContact CB-CB 4.31Å; V131-N143 HydrophobicContact CG2-CB 4.38Å; K136-N143 VanDerWaalsContact CD-OD1 3.23Å; K136-N143 WeakPolarHBondContact CD-OD1 3.49Å; K136-N143 WeakPolarHBondContact CE-OD1 3.49Å; K136-N143 HydrophobicContact CG-CB 4.46Å; K136-N143 WeakPolarHBondContact CG-OD1 2.83Å; K136-N143 PolarHBondContact NZ-OD1 2.82Å; V137-N143 WeakPolarHBondContact O-CA 3.11Å; M138-N143 WeakPolarHBondContact CG-OD1 3.43Å
144W91.4Very high88.6Confident4 Ų465.9 Ų65.92%0.01534%0.344CS..EExtended strand (participates in β ladder)trans-127.8151.9-177.4-6077.5000109.9P125 V137 L149 P170P125-W144 HydrophobicContact CB-CH2 4Å; P125-W144 HydrophobicContact CB-CZ2 4.21Å; P125-W144 HydrophobicContact CB-CZ3 4.35Å; P125-W144 HydrophobicContact CG-CD2 3.61Å; P125-W144 HydrophobicContact CG-CE3 3.76Å; P125-W144 HydrophobicContact CG-CG 4.4Å; P125-W144 HydrophobicContact CG-CH2 3.37Å; P125-W144 HydrophobicContact CG-CZ2 3.26Å; P125-W144 HydrophobicContact CG-CZ3 3.65Å; V137-W144 WeakPolarHBondContact CB-O 3.48Å; V137-W144 PolarHBondContact N-O 3.13Å; V137-W144 PolarHBondContact O-N 2.95Å; W144-L149 HydrophobicContact CB-CB 4.08Å; W144-L149 HydrophobicContact CB-CD1 4.24Å; W144-L149 HydrophobicContact CD2-CD1 3.61Å; W144-L149 HydrophobicContact CE3-CD1 4.04Å; W144-L149 HydrophobicContact CG-CB 4.41Å; W144-L149 HydrophobicContact CG-CD1 3.7Å; W144-P170 HydrophobicContact CH2-CB 4.47Å; W144-P170 HydrophobicContact CH2-CG 3.72Å; W144-P170 HydrophobicContact CZ2-CG 4.36Å; W144-P170 HydrophobicContact CZ3-CG 3.84Å
145H92.1Very high88.7Confident16 Ų1667.4 Ų67.47%0.07433%0.328CS..EExtended strand (participates in β ladder)trans-72.1143.2158.8-53.7112.2000109.5C124 C127 E135 P147 C148 L149C124-H145 VanDerWaalsContact CB-CE1 3.5Å; C124-H145 WeakPolarHBondContact CB-CE1 3.38Å; C124-H145 WeakPolarHBondContact CB-ND1 3.41Å; C124-H145 PolarHBondContact SG-ND1 3.34Å; C127-H145 PolarHBondContact SG-CE1 2.74Å; C127-H145 PolarHBondContact SG-ND1 2.98Å; E135-H145 IonicContact OE2-CD2 3.46Å; E135-H145 PolarHBondContact OE2-CD2 3.48Å; E135-H145 IonicContact OE2-NE2 2.8Å; H145-P147 VanDerWaalsContact C-CD 3.48Å; H145-P147 VanDerWaalsContact C-N 3.3Å; H145-P147 HydrophobicContact CB-CG 4.1Å; H145-C148 HydrophobicContact CB-CB 3.93Å; H145-C148 PolarHBondContact O-N 3.36Å; H145-L149 PolarHBondContact O-N 2.98Å
146R89.6Confident89Confident175 Ų17568.8 Ų68.866%0.6633%0.332SS*.THydrogen-bonded Turntrans-43.2-47.5171.1-135.878.3157-161.98.7113.3V137 T157V137-R146 HydrophobicContact CG2-CB 4.11Å; V137-R146 HydrophobicContact CG2-CG 4.15Å; R146-T157 WeakPolarHBondContact O-CG2 3.06Å
147P89.2Confident89.2Confident89 Ų8969.4 Ų69.458%0.57834%0.342SS*.THydrogen-bonded Turntrans-76.3-22.817729.4-37.7000114.7H145H145-P147 VanDerWaalsContact C-CD 3.48Å; H145-P147 VanDerWaalsContact C-N 3.3Å; H145-P147 HydrophobicContact CB-CG 4.1Å
148C90.3Very high89.3Confident24 Ų2469.8 Ų69.816%0.16234%0.344CS..THydrogen-bonded Turntrans-80.4-25.4-179.4-68.30000112.6C124 C127 H145 R150C124-C148 VanDerWaalsContact SG-CB 3.52Å; C127-C148 VanDerWaalsContact SG-SG 3.65Å; H145-C148 HydrophobicContact CB-CB 3.93Å; H145-C148 PolarHBondContact O-N 3.36Å; C148-R150 PolarHBondContact O-N 2.87Å
149L91.8Very high89.2Confident2 Ų269.4 Ų69.41%0.0135%0.348CS..  trans-75.376.6174.1-168.772.4000110.4V137 W144 H145 L158 P170V137-L149 HydrophobicContact CG1-CD2 4.15Å; W144-L149 HydrophobicContact CB-CB 4.08Å; W144-L149 HydrophobicContact CB-CD1 4.24Å; W144-L149 HydrophobicContact CD2-CD1 3.61Å; W144-L149 HydrophobicContact CE3-CD1 4.04Å; W144-L149 HydrophobicContact CG-CB 4.41Å; W144-L149 HydrophobicContact CG-CD1 3.7Å; H145-L149 PolarHBondContact O-N 2.98Å; L149-L158 HydrophobicContact CD2-CB 4.46Å; L149-L158 WeakPolarHBondContact CD2-O 3.37Å; L149-L158 HydrophobicContact CG-CB 4.2Å; L149-L158 PolarHBondContact O-N 2.96Å; L149-P170 HydrophobicContact CD1-CB 4.32Å; L149-P170 HydrophobicContact CD1-CG 4.47Å
150R92.3Very high89.2Confident119 Ų11971.4 Ų71.445%0.44937%0.365SS..BIsolated β-bridgetrans-133.8142.8-175.866.2-173.9177.3-180-3111C148 Q152 K156C148-R150 PolarHBondContact O-N 2.87Å; R150-Q152 PolarHBondContact O-N 3.38Å; R150-K156 CarbonylContact C-O 3.6Å; R150-K156 WeakPolarHBondContact CA-O 3.11Å
151C92.3Very high89.2Confident0 Ų069.8 Ų69.80%037%0.373CS..  trans-59.5128.3177.4-178.10000110.6R153 C154 R155 K156 L158 P170C151-R153 VanDerWaalsContact C-N 3.26Å; C151-R153 PolarHBondContact O-N 3.4Å; C151-C154 WeakPolarHBondContact CB-SG 3.44Å; C151-C154 PolarHBondContact SG-SG 2.9Å; C151-R155 WeakPolarHBondContact O-CA 3.38Å; C151-R155 PolarHBondContact O-N 3.33Å; C151-K156 PolarHBondContact N-O 2.89Å; C151-L158 HydrophobicContact CB-CD1 4.28Å; C151-L158 HydrophobicContact CB-CD2 4.08Å; C151-L158 HydrophobicContact CB-CG 4.35Å; C151-P170 WeakPolarHBondContact CA-O 3.35Å
152Q90.6Very high89.2Confident95 Ų9570 Ų7044%0.44436%0.363SS..THydrogen-bonded Turntrans-63.8-33.3178.6-176.564.9-4.200112.4R150 V169 P170 Y171R150-Q152 PolarHBondContact O-N 3.38Å; Q152-V169 HydrophobicContact CB-CG1 3.54Å; Q152-V169 HydrophobicContact CG-CG1 4.06Å; Q152-P170 PolarHBondContact N-O 3.33Å; Q152-Y171 HydrophobicContact CB-CE1 3.98Å
153R88Confident89.3Confident103 Ų10366 Ų6639%0.38935%0.348SS..THydrogen-bonded Turntrans-79.2-56.2-177.6-167.1-178.474.8126-1.6113.4C151 C176C151-R153 VanDerWaalsContact C-N 3.26Å; C151-R153 PolarHBondContact O-N 3.4Å; R153-C176 HydrophobicContact CB-CB 4.29Å; R153-C176 PolarHBondContact NE-SG 3.27Å; R153-C176 PolarHBondContact NH2-SG 3.39Å
154C89.7Confident89.3Confident60 Ų6065.4 Ų65.441%0.40535%0.346SS..THydrogen-bonded Turntrans-99.21.4-174.367.80000113.9C151 K156 C172 C176C151-C154 WeakPolarHBondContact CB-SG 3.44Å; C151-C154 PolarHBondContact SG-SG 2.9Å; C154-K156 PolarHBondContact O-N 3.31Å; C154-K156 VanDerWaalsContact SG-CB 3.55Å; C154-C172 PolarHBondContact SG-SG 2.87Å; C154-C176 VanDerWaalsContact SG-SG 3.67Å
155R89.1Confident89.1Confident135 Ų13567.5 Ų67.551%0.50936%0.356SS..  trans56.95.9-178.6-57.9-63.3-168.5-172.2-0.6115.5C151 T157C151-R155 WeakPolarHBondContact O-CA 3.38Å; C151-R155 PolarHBondContact O-N 3.33Å; R155-T157 PolarHBondContact O-N 2.87Å
156K88.6Confident88.9Confident140 Ų14069.3 Ų69.361%0.60937%0.365SS*.PPolyproline II helixtrans-66.5129.3177-174.6178.6177.4-178.40110.2R150 C151 C154 L158R150-K156 CarbonylContact C-O 3.6Å; R150-K156 WeakPolarHBondContact CA-O 3.11Å; C151-K156 PolarHBondContact N-O 2.89Å; C154-K156 PolarHBondContact O-N 3.31Å; C154-K156 VanDerWaalsContact SG-CB 3.55Å; K156-L158 PolarHBondContact O-N 3.4Å
157T91.1Very high88.7Confident85 Ų8567.8 Ų67.852%0.52137%0.37SS..BIsolated β-bridgetrans-60.6129.1170-460000109.6R146 R155R146-T157 WeakPolarHBondContact O-CG2 3.06Å; R155-T157 PolarHBondContact O-N 2.87Å
158L90.5Very high88.5Confident18 Ų1864.7 Ų64.79%0.09435%0.354CS..PPolyproline II helixtrans-97.2149.8-176-57.1174.2000110L149 C151 K156 H163 P170 C172L149-L158 HydrophobicContact CD2-CB 4.46Å; L149-L158 WeakPolarHBondContact CD2-O 3.37Å; L149-L158 HydrophobicContact CG-CB 4.2Å; L149-L158 PolarHBondContact O-N 2.96Å; C151-L158 HydrophobicContact CB-CD1 4.28Å; C151-L158 HydrophobicContact CB-CD2 4.08Å; C151-L158 HydrophobicContact CB-CG 4.35Å; K156-L158 PolarHBondContact O-N 3.4Å; L158-H163 HydrophobicContact CB-CB 4.1Å; L158-H163 HydrophobicContact CD1-CB 3.51Å; L158-H163 HydrophobicContact CD2-CB 4.38Å; L158-H163 HydrophobicContact CG-CB 4.2Å; L158-P170 HydrophobicContact CD1-CB 3.81Å; L158-C172 HydrophobicContact CD2-CB 4.47Å; L158-C172 VanDerWaalsContact CD2-SG 3.56Å
159T87.5Confident88.4Confident103 Ų10365.9 Ų65.963%0.63236%0.36SS*.PPolyproline II helixtrans-81.3140171.1-50.10000108.9G161 S162 H163T159-G161 PolarHBondContact O-N 3.47Å; T159-S162 PolarHBondContact O-N 3.41Å; T159-S162 VanDerWaalsContact O-N 3.13Å; T159-H163 PolarHBondContact O-ND1 2.75Å
160A84.2Confident88.4Confident48 Ų4866.1 Ų66.140%0.39736%0.362SS..THydrogen-bonded Turntrans-54.6129.7172.100000110V137 S162V137-A160 HydrophobicContact CG1-CB 3.6Å; A160-S162 VanDerWaalsContact C-N 3.29Å; A160-S162 PolarHBondContact O-N 2.96Å
161G82.9Confident88.3Confident67 Ų6761.8 Ų61.869%0.69135%0.346SS*.THydrogen-bonded Turntrans78-4.3-179.100000116.7S139 T159S139-G161 PolarHBondContact OG-N 2.74Å; T159-G161 PolarHBondContact O-N 3.47Å
162S84.5Confident88.3Confident73 Ų7362.5 Ų62.551%0.5135%0.351SS..SBendtrans-122.154.1176.1-167.30000111.7T159 A160 H173T159-S162 PolarHBondContact O-N 3.41Å; T159-S162 VanDerWaalsContact O-N 3.13Å; A160-S162 VanDerWaalsContact C-N 3.29Å; A160-S162 PolarHBondContact O-N 2.96Å; S162-H173 VanDerWaalsContact C-CD2 3.49Å
163H88.6Confident88.2Confident6 Ų662.5 Ų62.53%0.02835%0.35CS..SBendtrans-153.4159171.356.4-89.1000111.1S139 L158 T159 Y171 H173S139-H163 WeakPolarHBondContact CB-CE1 3.43Å; S139-H163 PolarHBondContact OG-CE1 3.19Å; S139-H163 PolarHBondContact OG-NE2 3.19Å; L158-H163 HydrophobicContact CB-CB 4.1Å; L158-H163 HydrophobicContact CD1-CB 3.51Å; L158-H163 HydrophobicContact CD2-CB 4.38Å; L158-H163 HydrophobicContact CG-CB 4.2Å; T159-H163 PolarHBondContact O-ND1 2.75Å; H163-Y171 VanDerWaalsContact CB-O 3.32Å; H163-Y171 WeakPolarHBondContact CB-O 3.31Å; H163-H173 VanDerWaalsContact CA-CD2 3.46Å; H163-H173 WeakPolarHBondContact CA-CD2 3.26Å; H163-H173 VanDerWaalsContact CA-NE2 3.33Å; H163-H173 WeakPolarHBondContact CA-NE2 3.28Å; H163-H173 PolarHBondContact N-CD2 3.41Å; H163-H173 PolarHBondContact N-NE2 3.09Å; H163-H173 PolarHBondContact O-CE1 3.1Å; H163-H173 PolarHBondContact O-NE2 3.38Å
164A90.1Very high88.1Confident11 Ų1162 Ų629%0.09136%0.358CS..EExtended strand (participates in β ladder)trans-94.8147.7170.800000109.6Y171 Y177A164-Y171 PolarHBondContact N-O 3.14Å; A164-Y171 PolarHBondContact O-N 2.91Å; A164-Y171 VanDerWaalsContact O-O 3.11Å; A164-Y177 HydrophobicContact CB-CD1 4.16Å; A164-Y177 HydrophobicContact CB-CD2 3.28Å; A164-Y177 HydrophobicContact CB-CE2 3.73Å; A164-Y177 HydrophobicContact CB-CG 3.51Å
165E88.8Confident87.9Confident49 Ų4961.9 Ų61.923%0.22936%0.357CS..EExtended strand (participates in β ladder)trans-114.2135.9172.4-178.2172.8-17700108.5L140 R142 G168 V169L140-E165 VanDerWaalsContact CB-OE2 3.26Å; L140-E165 WeakPolarHBondContact CB-OE2 3.46Å; L140-E165 HydrophobicContact CD1-CB 3.38Å; L140-E165 HydrophobicContact CD1-CG 4.42Å; L140-E165 VanDerWaalsContact CD1-OE2 3.28Å; L140-E165 WeakPolarHBondContact CD1-OE2 3.33Å; R142-E165 WeakPolarHBondContact CD-OE1 3.46Å; R142-E165 IonicContact CZ-OE1 3.24Å; R142-E165 IonicContact NE-OE1 3.75Å; R142-E165 IonicContact NH1-OE1 3.91Å; R142-E165 PolarHBondContact NH1-OE1 2.67Å; E165-G168 WeakPolarHBondContact OE1-CA 3.4Å; E165-V169 WeakPolarHBondContact CA-O 3.28Å
166H87.6Confident87.9Confident53 Ų5355.5 Ų55.525%0.24533%0.333CS..EExtended strand (participates in β ladder)trans-132.1125172.1-165.2-76.3000107.8G168 V169 Y171 Y177 F181H166-G168 PolarHBondContact O-N 3.19Å; H166-G168 VanDerWaalsContact O-N 3.14Å; H166-V169 PolarHBondContact N-O 2.87Å; H166-V169 WeakPolarHBondContact O-CA 3.48Å; H166-V169 WeakPolarHBondContact O-CB 3.22Å; H166-V169 PolarHBondContact O-N 2.93Å; H166-Y171 HydrophobicContact CB-CD2 4.03Å; H166-Y171 HydrophobicContact CB-CE2 3.85Å; H166-Y177 HydrophobicContact CB-CE2 4.02Å; H166-F181 HydrophobicContact CB-CD2 3.95Å; H166-F181 HydrophobicContact CB-CE1 4.36Å; H166-F181 HydrophobicContact CB-CE2 3.49Å; H166-F181 VanDerWaalsContact CB-CE2 3.49Å; H166-F181 HydrophobicContact CB-CZ 3.72Å; H166-F181 AromaticContact CD2-CD1 3.34Å; H166-F181 WeakPolarHBondContact CD2-CD1 3.34Å; H166-F181 AromaticContact CD2-CD2 3.62Å; H166-F181 AromaticContact CD2-CE1 3.58Å; H166-F181 AromaticContact CD2-CE2 3.84Å; H166-F181 AromaticContact CD2-CG 3.35Å; H166-F181 WeakPolarHBondContact CD2-CG 3.19Å; H166-F181 AromaticContact CD2-CZ 3.82Å; H166-F181 AromaticContact CE1-CD1 3.58Å; H166-F181 AromaticContact CE1-CE1 3.31Å; H166-F181 WeakPolarHBondContact CE1-CE1 3.17Å; H166-F181 AromaticContact CE1-CZ 3.91Å; H166-F181 AromaticContact CG-CD1 3.79Å; H166-F181 AromaticContact CG-CD2 3.79Å; H166-F181 AromaticContact CG-CE1 3.51Å; H166-F181 AromaticContact CG-CE2 3.51Å; H166-F181 AromaticContact CG-CG 3.91Å; H166-F181 AromaticContact CG-CZ 3.36Å; H166-F181 AromaticContact ND1-CD1 3.9Å; H166-F181 AromaticContact ND1-CE1 3.33Å; H166-F181 VanDerWaalsContact ND1-CE1 3.33Å; H166-F181 WeakPolarHBondContact ND1-CE1 3.42Å; H166-F181 AromaticContact ND1-CZ 3.42Å; H166-F181 WeakPolarHBondContact ND1-CZ 3.33Å; H166-F181 AromaticContact NE2-CD1 3.19Å; H166-F181 WeakPolarHBondContact NE2-CD1 3.35Å; H166-F181 AromaticContact NE2-CE1 3.46Å; H166-F181 WeakPolarHBondContact NE2-CE1 3.17Å; H166-F181 AromaticContact NE2-CG 3.69Å
167D85.9Confident88Confident144 Ų14452.6 Ų52.677%0.7732%0.319SS*.THydrogen-bonded Turntrans48.538.5-177.4-57-45.2000114.8V169D167-V169 PolarHBondContact O-N 3.2Å
168G83.3Confident87.8Confident24 Ų2450.2 Ų50.225%0.24731%0.311CS..THydrogen-bonded Turntrans81.41.2-179.400000115.1R142 E165 H166R142-G168 PolarHBondContact NH1-O 3.36Å; E165-G168 WeakPolarHBondContact OE1-CA 3.4Å; H166-G168 PolarHBondContact O-N 3.19Å; H166-G168 VanDerWaalsContact O-N 3.14Å
169V88.4Confident87.5Confident48 Ų4855.1 Ų55.129%0.29133%0.329SS..EExtended strand (participates in β ladder)trans-108.3130.3-177.9-177.30000109.9Q152 E165 H166 D167 Y171Q152-V169 HydrophobicContact CB-CG1 3.54Å; Q152-V169 HydrophobicContact CG-CG1 4.06Å; E165-V169 WeakPolarHBondContact CA-O 3.28Å; H166-V169 PolarHBondContact N-O 2.87Å; H166-V169 WeakPolarHBondContact O-CA 3.48Å; H166-V169 WeakPolarHBondContact O-CB 3.22Å; H166-V169 PolarHBondContact O-N 2.93Å; D167-V169 PolarHBondContact O-N 3.2Å; V169-Y171 HydrophobicContact CB-CE2 3.76Å; V169-Y171 HydrophobicContact CG1-CD2 4.45Å; V169-Y171 HydrophobicContact CG1-CE2 3.67Å; V169-Y171 WeakPolarHBondContact O-CD2 3.49Å; V169-Y171 WeakPolarHBondContact O-CE2 3.32Å
170P91.8Very high87.3Confident7 Ų753.2 Ų53.25%0.04531%0.314CS..EExtended strand (participates in β ladder)trans-87.9139.3-175.734.1-33.2000111.6W144 L149 C151 Q152 L158W144-P170 HydrophobicContact CH2-CB 4.47Å; W144-P170 HydrophobicContact CH2-CG 3.72Å; W144-P170 HydrophobicContact CZ2-CG 4.36Å; W144-P170 HydrophobicContact CZ3-CG 3.84Å; L149-P170 HydrophobicContact CD1-CB 4.32Å; L149-P170 HydrophobicContact CD1-CG 4.47Å; C151-P170 WeakPolarHBondContact CA-O 3.35Å; Q152-P170 PolarHBondContact N-O 3.33Å; L158-P170 HydrophobicContact CD1-CB 3.81Å
171Y91.6Very high87.4Confident29 Ų2954 Ų5411%0.11431%0.309CS..EExtended strand (participates in β ladder)trans-134.7151.3-179-64.4-87.6000111.2Q152 H163 A164 H166 V169 H173 L180 F181Q152-Y171 HydrophobicContact CB-CE1 3.98Å; H163-Y171 VanDerWaalsContact CB-O 3.32Å; H163-Y171 WeakPolarHBondContact CB-O 3.31Å; A164-Y171 PolarHBondContact N-O 3.14Å; A164-Y171 PolarHBondContact O-N 2.91Å; A164-Y171 VanDerWaalsContact O-O 3.11Å; H166-Y171 HydrophobicContact CB-CD2 4.03Å; H166-Y171 HydrophobicContact CB-CE2 3.85Å; V169-Y171 HydrophobicContact CB-CE2 3.76Å; V169-Y171 HydrophobicContact CG1-CD2 4.45Å; V169-Y171 HydrophobicContact CG1-CE2 3.67Å; V169-Y171 WeakPolarHBondContact O-CD2 3.49Å; V169-Y171 WeakPolarHBondContact O-CE2 3.32Å; Y171-H173 PolarHBondContact O-N 2.77Å; Y171-L180 HydrophobicContact CD1-CD1 3.91Å; Y171-L180 HydrophobicContact CE1-CD1 3.47Å; Y171-L180 VanDerWaalsContact CE1-CD1 3.47Å; Y171-F181 AromaticContact CD2-CE2 3.96Å; Y171-F181 HydrophobicContact CD2-CE2 3.96Å; Y171-F181 HydrophobicContact CE1-CE2 4.34Å; Y171-F181 AromaticContact CE2-CE2 3.71Å; Y171-F181 HydrophobicContact CE2-CE2 3.71Å; Y171-F181 HydrophobicContact CE2-CZ 4.1Å; Y171-F181 HydrophobicContact CG-CE2 4.39Å; Y171-F181 AromaticContact CZ-CE2 3.91Å
172C92.1Very high87.3Confident15 Ų1551.8 Ų51.810%0.10129%0.286CS..  trans-63.1135.7168.3-53.30000110.2C154 L158 V174 C176 Y177C154-C172 PolarHBondContact SG-SG 2.87Å; L158-C172 HydrophobicContact CD2-CB 4.47Å; L158-C172 VanDerWaalsContact CD2-SG 3.56Å; C172-V174 WeakPolarHBondContact CB-O 3.42Å; C172-V174 PolarHBondContact O-N 2.89Å; C172-C176 HydrophobicContact CB-CB 3.98Å; C172-Y177 VanDerWaalsContact O-CB 3.28Å; C172-Y177 WeakPolarHBondContact O-CB 3.33Å; C172-Y177 PolarHBondContact O-N 3.28Å
173H88.5Confident87.1Confident95 Ų9554.3 Ų54.344%0.4430%0.301SS..Iπ-helixtrans-50.5-47.6171.4-73.3-71.7000111.7S162 H163 Y171S162-H173 VanDerWaalsContact C-CD2 3.49Å; H163-H173 VanDerWaalsContact CA-CD2 3.46Å; H163-H173 WeakPolarHBondContact CA-CD2 3.26Å; H163-H173 VanDerWaalsContact CA-NE2 3.33Å; H163-H173 WeakPolarHBondContact CA-NE2 3.28Å; H163-H173 PolarHBondContact N-CD2 3.41Å; H163-H173 PolarHBondContact N-NE2 3.09Å; H163-H173 PolarHBondContact O-CE1 3.1Å; H163-H173 PolarHBondContact O-NE2 3.38Å; Y171-H173 PolarHBondContact O-N 2.77Å
174V85.5Confident85.9Confident92 Ų9262.7 Ų62.756%0.55834%0.337SS*.Iπ-helixtrans-132.9136.6175.6-176.40000109.4C172 Y196C172-V174 WeakPolarHBondContact CB-O 3.42Å; C172-V174 PolarHBondContact O-N 2.89Å; V174-Y196 HydrophobicContact CG1-CE1 4.1Å
175P86.3Confident84.4Confident57 Ų5764.4 Ų64.437%0.3736%0.355SS..Iπ-helixcis-92.95.4-7.528.2-20.1000113.7Y179 Y196P175-Y179 WeakPolarHBondContact O-CB 3.21Å; P175-Y179 PolarHBondContact O-N 3.45Å; P175-Y196 HydrophobicContact CB-CD1 4.27Å; P175-Y196 HydrophobicContact CB-CE1 4.47Å
176C88.4Confident82.9Confident1 Ų168 Ų681%0.00738%0.38CS..Iπ-helixtrans-74.1-47.3-166.4-57.50000114.3R153 C154 C172 L180R153-C176 HydrophobicContact CB-CB 4.29Å; R153-C176 PolarHBondContact NE-SG 3.27Å; R153-C176 PolarHBondContact NH2-SG 3.39Å; C154-C176 VanDerWaalsContact SG-SG 3.67Å; C172-C176 HydrophobicContact CB-CB 3.98Å; C176-L180 PolarHBondContact O-N 2.94Å
177Y89.7Confident80.9Confident80 Ų8073 Ų7331%0.31441%0.409SS..Iπ-helixtrans-67.3-48.4-179.2-175.1-92.1000111A164 H166 C172 Y179 L180 F181A164-Y177 HydrophobicContact CB-CD1 4.16Å; A164-Y177 HydrophobicContact CB-CD2 3.28Å; A164-Y177 HydrophobicContact CB-CE2 3.73Å; A164-Y177 HydrophobicContact CB-CG 3.51Å; H166-Y177 HydrophobicContact CB-CE2 4.02Å; C172-Y177 VanDerWaalsContact O-CB 3.28Å; C172-Y177 WeakPolarHBondContact O-CB 3.33Å; C172-Y177 PolarHBondContact O-N 3.28Å; Y177-Y179 VanDerWaalsContact C-N 3.31Å; Y177-Y179 PolarHBondContact O-N 2.96Å; Y177-L180 PolarHBondContact O-N 2.91Å; Y177-F181 AromaticContact CD2-CD2 3.71Å; Y177-F181 HydrophobicContact CD2-CD2 3.71Å; Y177-F181 HydrophobicContact CD2-CE2 4.37Å; Y177-F181 HydrophobicContact CE1-CB 4.37Å; Y177-F181 HydrophobicContact CE2-CB 4.43Å; Y177-F181 AromaticContact CE2-CD2 3.87Å; Y177-F181 HydrophobicContact CE2-CD2 3.87Å; Y177-F181 HydrophobicContact CE2-CG 4.47Å; Y177-F181 HydrophobicContact CG-CD2 4.26Å; Y177-F181 PolarHBondContact O-N 2.88Å
178G86.7Confident79.2Confident34 Ų3473.4 Ų73.435%0.35141%0.41SS..Hα-helixtrans-60.7-33.7177.100000114.5G182G178-G182 WeakPolarHBondContact O-CA 3.46Å; G178-G182 PolarHBondContact O-N 3.22Å
179Y84.8Confident77.5Confident121 Ų12175.1 Ų75.148%0.47543%0.427SS..Hα-helixtrans-68.9-35.9177.1-178-93.4000113.3P175 Y177P175-Y179 WeakPolarHBondContact O-CB 3.21Å; P175-Y179 PolarHBondContact O-N 3.45Å; Y177-Y179 VanDerWaalsContact C-N 3.31Å; Y177-Y179 PolarHBondContact O-N 2.96Å
180L84.1Confident75.7Confident63 Ų6381.1 Ų81.133%0.3346%0.458SS..Hα-helixtrans-90.6-40.3-175.9-67.4171.7000112.6Y171 C176 Y177Y171-L180 HydrophobicContact CD1-CD1 3.91Å; Y171-L180 HydrophobicContact CE1-CD1 3.47Å; Y171-L180 VanDerWaalsContact CE1-CD1 3.47Å; C176-L180 PolarHBondContact O-N 2.94Å; Y177-L180 PolarHBondContact O-N 2.91Å
181F85.9Confident73.8Confident66 Ų6686.9 Ų86.929%0.28949%0.493SS..Hα-helixtrans-125.95.1-168.5-47.3-67.4000113.2H166 Y171 Y177H166-F181 HydrophobicContact CB-CD2 3.95Å; H166-F181 HydrophobicContact CB-CE1 4.36Å; H166-F181 HydrophobicContact CB-CE2 3.49Å; H166-F181 VanDerWaalsContact CB-CE2 3.49Å; H166-F181 HydrophobicContact CB-CZ 3.72Å; H166-F181 AromaticContact CD2-CD1 3.34Å; H166-F181 WeakPolarHBondContact CD2-CD1 3.34Å; H166-F181 AromaticContact CD2-CD2 3.62Å; H166-F181 AromaticContact CD2-CE1 3.58Å; H166-F181 AromaticContact CD2-CE2 3.84Å; H166-F181 AromaticContact CD2-CG 3.35Å; H166-F181 WeakPolarHBondContact CD2-CG 3.19Å; H166-F181 AromaticContact CD2-CZ 3.82Å; H166-F181 AromaticContact CE1-CD1 3.58Å; H166-F181 AromaticContact CE1-CE1 3.31Å; H166-F181 WeakPolarHBondContact CE1-CE1 3.17Å; H166-F181 AromaticContact CE1-CZ 3.91Å; H166-F181 AromaticContact CG-CD1 3.79Å; H166-F181 AromaticContact CG-CD2 3.79Å; H166-F181 AromaticContact CG-CE1 3.51Å; H166-F181 AromaticContact CG-CE2 3.51Å; H166-F181 AromaticContact CG-CG 3.91Å; H166-F181 AromaticContact CG-CZ 3.36Å; H166-F181 AromaticContact ND1-CD1 3.9Å; H166-F181 AromaticContact ND1-CE1 3.33Å; H166-F181 VanDerWaalsContact ND1-CE1 3.33Å; H166-F181 WeakPolarHBondContact ND1-CE1 3.42Å; H166-F181 AromaticContact ND1-CZ 3.42Å; H166-F181 WeakPolarHBondContact ND1-CZ 3.33Å; H166-F181 AromaticContact NE2-CD1 3.19Å; H166-F181 WeakPolarHBondContact NE2-CD1 3.35Å; H166-F181 AromaticContact NE2-CE1 3.46Å; H166-F181 WeakPolarHBondContact NE2-CE1 3.17Å; H166-F181 AromaticContact NE2-CG 3.69Å; Y171-F181 AromaticContact CD2-CE2 3.96Å; Y171-F181 HydrophobicContact CD2-CE2 3.96Å; Y171-F181 HydrophobicContact CE1-CE2 4.34Å; Y171-F181 AromaticContact CE2-CE2 3.71Å; Y171-F181 HydrophobicContact CE2-CE2 3.71Å; Y171-F181 HydrophobicContact CE2-CZ 4.1Å; Y171-F181 HydrophobicContact CG-CE2 4.39Å; Y171-F181 AromaticContact CZ-CE2 3.91Å; Y177-F181 AromaticContact CD2-CD2 3.71Å; Y177-F181 HydrophobicContact CD2-CD2 3.71Å; Y177-F181 HydrophobicContact CD2-CE2 4.37Å; Y177-F181 HydrophobicContact CE1-CB 4.37Å; Y177-F181 HydrophobicContact CE2-CB 4.43Å; Y177-F181 AromaticContact CE2-CD2 3.87Å; Y177-F181 HydrophobicContact CE2-CD2 3.87Å; Y177-F181 HydrophobicContact CE2-CG 4.47Å; Y177-F181 HydrophobicContact CG-CD2 4.26Å; Y177-F181 PolarHBondContact O-N 2.88Å
182G81.4Confident71.8Confident20 Ų2089.1 Ų89.121%0.20653%0.525CS..SBendtrans-63.4153.3170.700000110.8G178 K184G178-G182 WeakPolarHBondContact O-CA 3.46Å; G178-G182 PolarHBondContact O-N 3.22Å; G182-K184 PolarHBondContact O-N 3.32Å
183P78.5Confident69.8Low125 Ų12592.1 Ų92.181%0.81255%0.545SS*.  trans-55.4116.217623.5-32.8000109.2G185P183-G185 VanDerWaalsContact C-N 3.34Å; P183-G185 PolarHBondContact O-N 3.4Å
184K65.4Low68.2Low183 Ų18397.5 Ų97.580%0.79656%0.563SS**  trans-77.391.6172.7-64.9-179.1-177179.20106.5G182 V186G182-K184 PolarHBondContact O-N 3.32Å; K184-V186 PolarHBondContact O-N 2.86Å; K184-V186 VanDerWaalsContact O-N 3.16Å
185G57.7Low66.8Low46 Ų4699.6 Ų99.647%0.47457%0.569SS.*  trans-60.5115.5-179.400000111.2P183P183-G185 VanDerWaalsContact C-N 3.34Å; P183-G185 PolarHBondContact O-N 3.4Å
186V56.1Low65.3Low124 Ų124102.2 Ų102.275%0.75257%0.573SS**  trans-73.4125.4148.3-84.50000106.6K184 I188K184-V186 PolarHBondContact O-N 2.86Å; K184-V186 VanDerWaalsContact O-N 3.16Å; V186-I188 HydrophobicContact CB-CD1 4.27Å; V186-I188 HydrophobicContact CG2-CD1 4.28Å; V186-I188 PolarHBondContact O-N 3.17Å
187N46.7Very low63.8Low158 Ų158108.4 Ų108.485%0.84561%0.606SS**  trans-64.792.2-177.4-59.9-68.6000110.6
188I49.8Very low62.1Low153 Ų153108.8 Ų108.879%0.78562%0.618SS**  trans-127.397.9157.7-7093.9000106.1V186V186-I188 HydrophobicContact CB-CD1 4.27Å; V186-I188 HydrophobicContact CG2-CD1 4.28Å; V186-I188 PolarHBondContact O-N 3.17Å
189G48.6Very low60.5Low60 Ų60113.2 Ų113.262%0.61964%0.638SS**SBendtrans108.7130.9167.100000115.9V191G189-V191 PolarHBondContact O-N 2.81Å
190D50.2Low58.7Low175 Ų175116.5 Ų116.594%0.93665%0.654SS**SBendtrans-6653.3-177.9-68.9-67000115.6
191V51.4Low57.3Low128 Ų128119.9 Ų119.978%0.77667%0.672SS**SBendtrans-130105.1168.6-90.60000109.4G189 C193G189-V191 PolarHBondContact O-N 2.81Å; V191-C193 PolarHBondContact O-N 3.13Å
192G49Very low55.1Low76 Ų76125.4 Ų125.478%0.78470%0.695SS**  trans-47120.2-166.700000114.8
193C51Low53.7Low77 Ų77133.7 Ų133.752%0.5273%0.726SS.*  trans-75.9128.7159-65.40000107.7V191 I195V191-C193 PolarHBondContact O-N 3.13Å; C193-I195 PolarHBondContact O-N 3.05Å
194Y53.9Low52Low209 Ų209139.7 Ų139.782%0.8274%0.743SS**  trans-6682.3169.8-70.6-81.9000109.5Y196Y194-Y196 PolarHBondContact O-N 2.96Å
195I56.6Low51.4Low135 Ų135137.6 Ų137.669%0.69274%0.741SS**  trans-68.2101.4165.5-58.6-177.6000105.4C193 D197C193-I195 PolarHBondContact O-N 3.05Å; I195-D197 PolarHBondContact O-N 3.02Å; I195-D197 VanDerWaalsContact O-N 3.13Å
196Y54.8Low51Low113 Ų113142.4 Ų142.444%0.44376%0.755SS.*  trans-71.2105.6166.7-79-92.1000107.2V174 P175 Y194V174-Y196 HydrophobicContact CG1-CE1 4.1Å; P175-Y196 HydrophobicContact CB-CD1 4.27Å; P175-Y196 HydrophobicContact CB-CE1 4.47Å; Y194-Y196 PolarHBondContact O-N 2.96Å
197D58.5Low50.8Low131 Ų131143.4 Ų143.470%0.70176%0.755SS**  trans-49.4135170-76.7-54.9000109.8I195 V199I195-D197 PolarHBondContact O-N 3.02Å; I195-D197 VanDerWaalsContact O-N 3.13Å; D197-V199 VanDerWaalsContact C-N 3.33Å; D197-V199 PolarHBondContact O-N 2.74Å
198P53.6Low51Low87 Ų87142.5 Ų142.557%0.56575%0.75SS**  trans-64.897.5174.226.9-32.3000108.2K200P198-K200 PolarHBondContact O-N 3.28Å
199V53Low51.1Low128 Ų128141.9 Ų141.978%0.77675%0.747SS**  trans-58.6105.9168.5178.60000106.7D197 I201D197-V199 VanDerWaalsContact C-N 3.33Å; D197-V199 PolarHBondContact O-N 2.74Å; V199-I201 PolarHBondContact O-N 3.05Å
200K47.3Very low51.2Low189 Ų189147.3 Ų147.382%0.82276%0.756SS**  trans-58.8102173.3-71.2-178.6-179.7176.80107.7P198 K202P198-K200 PolarHBondContact O-N 3.28Å; K200-K202 VanDerWaalsContact C-N 3.3Å; K200-K202 PolarHBondContact O-N 3.16Å
201I52.9Low51.3Low135 Ų135145.4 Ų145.469%0.69274%0.743SS**  trans-71.194.2169.3-48.6175.7000105.5V199 F203V199-I201 PolarHBondContact O-N 3.05Å; I201-F203 HydrophobicContact CG2-CD2 4.49Å; I201-F203 HydrophobicContact CG2-CE2 4.3Å; I201-F203 PolarHBondContact O-N 2.83Å
202K40.8Very low51.3Low181 Ų181146.7 Ų146.779%0.78774%0.741SS**  trans-68.2110.2167.5-76.4-173.5174.1-177.60107.1K200 Q204K200-K202 VanDerWaalsContact C-N 3.3Å; K200-K202 PolarHBondContact O-N 3.16Å; K202-Q204 PolarHBondContact O-N 2.87Å
203F51Low51.5Low195 Ų195152.6 Ų152.686%0.85574%0.737SS**  trans-73.8109.6159.2-79.7-90.2000106.9I201I201-F203 HydrophobicContact CG2-CD2 4.49Å; I201-F203 HydrophobicContact CG2-CE2 4.3Å; I201-F203 PolarHBondContact O-N 2.83Å
204Q44.6Very low51.5Low251 Ų251159.5 Ų159.5100%1.17376%0.757SS**  trans-138.80163.1-168.6139.615.500108.9K202K202-Q204 PolarHBondContact O-N 2.87Å

Retrieved 204 of 204 residues in 41.3 ms (Link to these results)