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Junctophilin

Junctophilins contribute to the formation of junctional membrane complexes (JMCs) which link the plasma membrane with the endoplasmic or sarcoplasmic reticulum in excitable cells. Provides a structural foundation for functional cross-talk between the cell surface and intracellular calcium release channels.

AlphaFold DB , UniProt , Accession A0A087XMG7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 764 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
1M44.4Very low80Confident239 Ų23993.5 Ų93.5100%1.17750%0.498SS*.  0154.10-62.1177.5177.600107.6T3M1-T3 PolarHBondContact O-N 2.9Å
2S52.3Low80.3Confident97 Ų9789.8 Ų89.868%0.67850%0.498SS*.  trans-68.912817853.40000110G4S2-G4 WeakPolarHBondContact CB-O 3.49Å; S2-G4 PolarHBondContact O-N 3.36Å; S2-G4 PolarHBondContact OG-O 3.29Å
3T79.6Confident80.9Confident110 Ų11083 Ų8368%0.67546%0.462SS*.SBendtrans-78.239.5175.247.10000111.4M1 G18 W19M1-T3 PolarHBondContact O-N 2.9Å; T3-G18 CarbonylContact O-C 3.56Å; T3-G18 VanDerWaalsContact O-CA 3.25Å; T3-G18 WeakPolarHBondContact O-CA 3.37Å; T3-W19 PolarHBondContact O-N 3.41Å
4G85.8Confident81.6Confident5 Ų577.7 Ų77.75%0.05243%0.433CS..EExtended strand (participates in β ladder)trans172.5160.5-167.800000112.7S2 G17S2-G4 WeakPolarHBondContact CB-O 3.49Å; S2-G4 PolarHBondContact O-N 3.36Å; S2-G4 PolarHBondContact OG-O 3.29Å; G4-G17 CarbonylContact C-O 3.47Å; G4-G17 WeakPolarHBondContact CA-O 3.5Å
5G90.3Very high82.4Confident19 Ų1972.5 Ų72.520%0.19640%0.404CS..EExtended strand (participates in β ladder)trans168.6179.1-172.900000112.8G17G5-G17 PolarHBondContact N-O 3.19Å; G5-G17 PolarHBondContact O-N 3.36Å
6R90.7Very high83.1Confident116 Ų11668 Ų6844%0.43838%0.379SS..EExtended strand (participates in β ladder)trans-100137.9172.6-179.3177.7166.41790.1111.1N8 Y15 C16R6-N8 VanDerWaalsContact CZ-OD1 3.28Å; R6-N8 PolarHBondContact NE-OD1 3.28Å; R6-N8 PolarHBondContact NH2-OD1 2.88Å; R6-Y15 CarbonylContact C-O 3.54Å; R6-Y15 VanDerWaalsContact CA-O 3.32Å; R6-Y15 WeakPolarHBondContact CA-O 3.34Å; R6-C16 HydrophobicContact CB-CB 4.38Å; R6-C16 HydrophobicContact CG-CB 4.41Å
7F89.5Confident83.8Confident62 Ų6264 Ų6427%0.27236%0.357SS..EExtended strand (participates in β ladder)trans-125.7143.2171.2-170.6-93.2000108.9F9 S14 Y15 W19F7-F9 AromaticContact CD1-CD1 3.72Å; F7-F9 HydrophobicContact CD1-CD1 3.72Å; F7-F9 AromaticContact CD1-CE1 3.54Å; F7-F9 HydrophobicContact CD1-CE1 3.54Å; F7-F9 HydrophobicContact CD1-CG 4.48Å; F7-F9 HydrophobicContact CD1-CZ 4.19Å; F7-F9 AromaticContact CE1-CD1 3.56Å; F7-F9 HydrophobicContact CE1-CD1 3.56Å; F7-F9 AromaticContact CE1-CE1 3.69Å; F7-F9 HydrophobicContact CE1-CE1 3.69Å; F7-S14 CarbonylContact O-C 3.54Å; F7-S14 VanDerWaalsContact O-CA 3.31Å; F7-S14 WeakPolarHBondContact O-CA 3.34Å; F7-S14 VanDerWaalsContact O-CB 3.31Å; F7-S14 WeakPolarHBondContact O-CB 3.43Å; F7-Y15 PolarHBondContact N-O 2.72Å; F7-Y15 PolarHBondContact O-N 3.34Å; F7-Y15 VanDerWaalsContact O-O 3.13Å; F7-W19 HydrophobicContact CB-CZ2 3.85Å; F7-W19 HydrophobicContact CG-CZ2 4.44Å
8N89.7Confident84.3Confident90 Ų9060.9 Ų60.948%0.48134%0.342SS..EExtended strand (participates in β ladder)trans-116138.8174.1-57-51.8000108.3R6 S14R6-N8 VanDerWaalsContact CZ-OD1 3.28Å; R6-N8 PolarHBondContact NE-OD1 3.28Å; R6-N8 PolarHBondContact NH2-OD1 2.88Å; N8-S14 WeakPolarHBondContact OD1-CB 3.18Å
9F86.7Confident84.7Confident45 Ų4559.9 Ų59.920%0.19733%0.332CS..  trans-92152179.5-56.8-66.8000111.2F7 D11 G12 G13 L650F7-F9 AromaticContact CD1-CD1 3.72Å; F7-F9 HydrophobicContact CD1-CD1 3.72Å; F7-F9 AromaticContact CD1-CE1 3.54Å; F7-F9 HydrophobicContact CD1-CE1 3.54Å; F7-F9 HydrophobicContact CD1-CG 4.48Å; F7-F9 HydrophobicContact CD1-CZ 4.19Å; F7-F9 AromaticContact CE1-CD1 3.56Å; F7-F9 HydrophobicContact CE1-CD1 3.56Å; F7-F9 AromaticContact CE1-CE1 3.69Å; F7-F9 HydrophobicContact CE1-CE1 3.69Å; F9-D11 WeakPolarHBondContact CB-OD1 3.47Å; F9-D11 PolarHBondContact O-N 3.17Å; F9-D11 VanDerWaalsContact O-N 3.08Å; F9-G12 PolarHBondContact O-N 2.81Å; F9-G13 VanDerWaalsContact CD2-C 3.47Å; F9-G13 PolarHBondContact N-O 3.39Å; F9-L650 HydrophobicContact CE1-CD2 3.82Å; F9-L650 HydrophobicContact CZ-CD1 4.47Å; F9-L650 HydrophobicContact CZ-CD2 3.64Å
10D87.2Confident85Confident166 Ų16661.5 Ų61.589%0.88834%0.337SS*.THydrogen-bonded Turntrans-60.6-18.7178.4-60.3-35.3000113.1
11D84.3Confident85.2Confident79 Ų7965.5 Ų65.542%0.42235%0.354SS..THydrogen-bonded Turntrans-87.2-2.117765.821.8000114.4F9 G13 P33 K34F9-D11 WeakPolarHBondContact CB-OD1 3.47Å; F9-D11 PolarHBondContact O-N 3.17Å; F9-D11 VanDerWaalsContact O-N 3.08Å; D11-G13 PolarHBondContact OD1-N 3.35Å; D11-P33 HydrophobicContact CB-CB 4.08Å; D11-K34 WeakPolarHBondContact O-CG 3.46Å; D11-K34 PolarHBondContact O-N 3.4Å
12G83.8Confident87.2Confident49 Ų4955.6 Ų55.651%0.50531%0.312SS..SBendtrans87.95.2-178.500000115.6F9 G35F9-G12 PolarHBondContact O-N 2.81Å; G12-G35 PolarHBondContact O-N 3.09Å
13G88.2Confident89.1Confident2 Ų253.6 Ų53.62%0.02129%0.292CS..  trans-76.8176.7162.800000112.6F9 D11 T31 G32F9-G13 VanDerWaalsContact CD2-C 3.47Å; F9-G13 PolarHBondContact N-O 3.39Å; D11-G13 PolarHBondContact OD1-N 3.35Å; G13-T31 WeakPolarHBondContact CA-O 3.43Å; G13-G32 VanDerWaalsContact CA-O 3.25Å; G13-G32 WeakPolarHBondContact CA-O 3.48Å
14S90.8Very high89.7Confident9 Ų948.4 Ų48.46%0.06326%0.259CS..EExtended strand (participates in β ladder)trans-154.6153.9173.760.50000113.5F7 N8 C30 T31F7-S14 CarbonylContact O-C 3.54Å; F7-S14 VanDerWaalsContact O-CA 3.31Å; F7-S14 WeakPolarHBondContact O-CA 3.34Å; F7-S14 VanDerWaalsContact O-CB 3.31Å; F7-S14 WeakPolarHBondContact O-CB 3.43Å; N8-S14 WeakPolarHBondContact OD1-CB 3.18Å; S14-C30 CarbonylContact O-C 3.31Å; S14-C30 VanDerWaalsContact O-CA 3.32Å; S14-C30 WeakPolarHBondContact O-CA 3.3Å; S14-T31 PolarHBondContact N-O 3.32Å; S14-T31 PolarHBondContact N-OG1 2.81Å; S14-T31 PolarHBondContact O-N 3.01Å; S14-T31 PolarHBondContact O-OG1 2.82Å; S14-T31 PolarHBondContact OG-OG1 2.99Å; S14-T31 VanDerWaalsContact OG-OG1 3.07Å
15Y92.6Very high90.1Very high0 Ų051.3 Ų51.30%027%0.272CS..EExtended strand (participates in β ladder)trans-114.1139.6169.4178.9-92.9000110.2R6 F7 G18 W19 A24 I29 C30 W43 L650R6-Y15 CarbonylContact C-O 3.54Å; R6-Y15 VanDerWaalsContact CA-O 3.32Å; R6-Y15 WeakPolarHBondContact CA-O 3.34Å; F7-Y15 PolarHBondContact N-O 2.72Å; F7-Y15 PolarHBondContact O-N 3.34Å; F7-Y15 VanDerWaalsContact O-O 3.13Å; Y15-G18 PolarHBondContact OH-N 3.06Å; Y15-G18 PolarHBondContact OH-O 2.81Å; Y15-G18 VanDerWaalsContact OH-O 3.12Å; Y15-W19 AromaticContact CD1-CE2 3.69Å; Y15-W19 HydrophobicContact CD1-CH2 4.18Å; Y15-W19 AromaticContact CD1-CZ2 3.38Å; Y15-W19 HydrophobicContact CD1-CZ2 3.38Å; Y15-W19 AromaticContact CD1-NE1 3.85Å; Y15-W19 HydrophobicContact CE1-CD2 4.43Å; Y15-W19 AromaticContact CE1-CE2 3.78Å; Y15-W19 AromaticContact CE1-CZ2 3.9Å; Y15-W19 HydrophobicContact CE1-CZ2 3.9Å; Y15-W19 AromaticContact CE1-NE1 3.83Å; Y15-W19 HydrophobicContact CG-CZ2 4.15Å; Y15-A24 HydrophobicContact CD2-CB 4.45Å; Y15-A24 HydrophobicContact CE1-CB 4.28Å; Y15-A24 HydrophobicContact CE2-CB 3.8Å; Y15-I29 CarbonylContact C-O 3.57Å; Y15-I29 WeakPolarHBondContact CA-O 3.39Å; Y15-C30 HydrophobicContact CD2-CB 3.96Å; Y15-W43 HydrophobicContact CD2-CZ2 4.36Å; Y15-W43 AromaticContact CE2-CD2 3.96Å; Y15-W43 HydrophobicContact CE2-CD2 3.96Å; Y15-W43 AromaticContact CE2-CE2 3.68Å; Y15-W43 HydrophobicContact CE2-CG 4.23Å; Y15-W43 HydrophobicContact CE2-CZ2 4.11Å; Y15-W43 AromaticContact CE2-NE1 3.72Å; Y15-L650 HydrophobicContact CD2-CD1 3.93Å; Y15-L650 HydrophobicContact CE2-CD1 4.44Å; Y15-L650 HydrophobicContact CG-CD1 4.49Å
16C94Very high90.3Very high0 Ų051.3 Ų51.30%027%0.272CS..EExtended strand (participates in β ladder)trans-141.3112.8169.8-165.20000110.1R6 G28 I29 A419 F426R6-C16 HydrophobicContact CB-CB 4.38Å; R6-C16 HydrophobicContact CG-CB 4.41Å; C16-G28 WeakPolarHBondContact O-CA 3.08Å; C16-I29 PolarHBondContact N-O 2.76Å; C16-I29 PolarHBondContact O-N 2.86Å; C16-A419 HydrophobicContact CB-CB 4.07Å; C16-A419 PolarHBondContact SG-O 3.05Å; C16-F426 HydrophobicContact CB-CD1 4.04Å; C16-F426 HydrophobicContact CB-CE1 3.55Å; C16-F426 HydrophobicContact CB-CE2 4.35Å; C16-F426 HydrophobicContact CB-CZ 3.71Å
17G94.6Very high90.6Very high0 Ų049.9 Ų49.90%027%0.267CS..EExtended strand (participates in β ladder)trans171.8-161.9-170.300000113G4 G5 Y27 F422G4-G17 CarbonylContact C-O 3.47Å; G4-G17 WeakPolarHBondContact CA-O 3.5Å; G5-G17 PolarHBondContact N-O 3.19Å; G5-G17 PolarHBondContact O-N 3.36Å; G17-Y27 VanDerWaalsContact CA-O 3.31Å; G17-Y27 WeakPolarHBondContact CA-O 3.45Å; G17-F422 WeakPolarHBondContact O-CD2 3.43Å
18G92.8Very high90.9Very high9 Ų946.9 Ų46.99%0.09325%0.254CS..EExtended strand (participates in β ladder)trans-78.7154.8179.500000114.6T3 Y15 H25 Y27T3-G18 CarbonylContact O-C 3.56Å; T3-G18 VanDerWaalsContact O-CA 3.25Å; T3-G18 WeakPolarHBondContact O-CA 3.37Å; Y15-G18 PolarHBondContact OH-N 3.06Å; Y15-G18 PolarHBondContact OH-O 2.81Å; Y15-G18 VanDerWaalsContact OH-O 3.12Å; G18-H25 CarbonylContact C-O 3.26Å; G18-H25 VanDerWaalsContact C-O 3.26Å; G18-H25 WeakPolarHBondContact CA-O 3.5Å; G18-H25 PolarHBondContact O-N 3.38Å; G18-Y27 PolarHBondContact N-O 3.27Å
19W91.7Very high91.1Very high42 Ų4242.9 Ų42.916%0.15923%0.232CC..EExtended strand (participates in β ladder)trans-135.1131.1177.3-67100.6000111T3 F7 Y15 K23 A24 L650 P652T3-W19 PolarHBondContact O-N 3.41Å; F7-W19 HydrophobicContact CB-CZ2 3.85Å; F7-W19 HydrophobicContact CG-CZ2 4.44Å; Y15-W19 AromaticContact CD1-CE2 3.69Å; Y15-W19 HydrophobicContact CD1-CH2 4.18Å; Y15-W19 AromaticContact CD1-CZ2 3.38Å; Y15-W19 HydrophobicContact CD1-CZ2 3.38Å; Y15-W19 AromaticContact CD1-NE1 3.85Å; Y15-W19 HydrophobicContact CE1-CD2 4.43Å; Y15-W19 AromaticContact CE1-CE2 3.78Å; Y15-W19 AromaticContact CE1-CZ2 3.9Å; Y15-W19 HydrophobicContact CE1-CZ2 3.9Å; Y15-W19 AromaticContact CE1-NE1 3.83Å; Y15-W19 HydrophobicContact CG-CZ2 4.15Å; W19-K23 WeakPolarHBondContact CA-O 3.2Å; W19-A24 HydrophobicContact CZ3-CB 4.31Å; W19-L650 HydrophobicContact CH2-CB 4.4Å; W19-L650 HydrophobicContact CZ3-CB 4.4Å; W19-P652 HydrophobicContact CD2-CG 4Å; W19-P652 HydrophobicContact CE3-CG 3.52Å; W19-P652 HydrophobicContact CH2-CG 4.25Å; W19-P652 VanDerWaalsContact CZ3-CD 3.45Å; W19-P652 HydrophobicContact CZ3-CG 3.68Å
20E91.9Very high91.4Very high91 Ų9140.9 Ų40.943%0.42522%0.224SC..EExtended strand (participates in β ladder)trans-138.1137.3176.7-175.9-175.5-115.100109.2G22 K23 H25E20-G22 PolarHBondContact O-N 3.17Å; E20-K23 PolarHBondContact N-O 3.28Å; E20-K23 WeakPolarHBondContact O-CA 3.34Å; E20-K23 WeakPolarHBondContact O-CB 3.06Å; E20-K23 PolarHBondContact O-N 2.86Å; E20-K23 VanDerWaalsContact O-O 3.1Å; E20-H25 HydrophobicContact CB-CB 3.61Å; E20-H25 IonicContact OE1-CE1 3.79Å; E20-H25 IonicContact OE1-ND1 3.88Å; E20-H25 IonicContact OE2-CE1 2.69Å; E20-H25 PolarHBondContact OE2-CE1 3.24Å; E20-H25 IonicContact OE2-CG 2.79Å; E20-H25 IonicContact OE2-ND1 3.02Å; E20-H25 PolarHBondContact OE2-ND1 2.8Å
21E88.6Confident91.6Very high146 Ų14633.5 Ų33.568%0.68218%0.184SC*.THydrogen-bonded Turntrans48.728.3-175.8-63.4-166.4158.100115.6K23E21-K23 VanDerWaalsContact C-N 3.34Å; E21-K23 IonicContact OE2-NZ 3.28Å; E21-K23 PolarHBondContact OE2-NZ 2.76Å
22G86.6Confident91.6Very high30 Ų3030 Ų3031%0.30917%0.167SC..THydrogen-bonded Turntrans6341.6-17100000112.4E20 Q651 P652E20-G22 PolarHBondContact O-N 3.17Å; G22-Q651 VanDerWaalsContact O-CA 3.29Å; G22-Q651 WeakPolarHBondContact O-CA 3.49Å; G22-Q651 WeakPolarHBondContact O-CB 3.46Å; G22-Q651 WeakPolarHBondContact O-CG 3.49Å; G22-Q651 PolarHBondContact O-NE2 2.89Å; G22-Q651 VanDerWaalsContact O-NE2 3.1Å; G22-P652 VanDerWaalsContact CA-CD 3.47Å; G22-P652 WeakPolarHBondContact O-CD 3.49Å
23K91.1Very high91.5Very high56 Ų5630.9 Ų30.924%0.24316%0.164CC..EExtended strand (participates in β ladder)trans-140.9150173.3-58.4171.5-162.4136.80111W19 E20 E21 H25 H45 L650 Q651W19-K23 WeakPolarHBondContact CA-O 3.2Å; E20-K23 PolarHBondContact N-O 3.28Å; E20-K23 WeakPolarHBondContact O-CA 3.34Å; E20-K23 WeakPolarHBondContact O-CB 3.06Å; E20-K23 PolarHBondContact O-N 2.86Å; E20-K23 VanDerWaalsContact O-O 3.1Å; E21-K23 VanDerWaalsContact C-N 3.34Å; E21-K23 IonicContact OE2-NZ 3.28Å; E21-K23 PolarHBondContact OE2-NZ 2.76Å; K23-H25 PolarHBondContact O-N 3.32Å; K23-H45 HydrophobicContact CD-CB 4.29Å; K23-L650 WeakPolarHBondContact CA-O 3.45Å; K23-Q651 HydrophobicContact CG-CG 4.47Å
24A92.1Very high91.2Very high0 Ų039.1 Ų39.10%020%0.199CC..EExtended strand (participates in β ladder)trans-63.1128.7174.900000110.8Y15 W19 W43 G46 L650Y15-A24 HydrophobicContact CD2-CB 4.45Å; Y15-A24 HydrophobicContact CE1-CB 4.28Å; Y15-A24 HydrophobicContact CE2-CB 3.8Å; W19-A24 HydrophobicContact CZ3-CB 4.31Å; A24-W43 HydrophobicContact CB-CB 4.37Å; A24-W43 HydrophobicContact CB-CD2 4.19Å; A24-W43 HydrophobicContact CB-CE3 3.95Å; A24-W43 HydrophobicContact CB-CG 4.37Å; A24-G46 PolarHBondContact O-N 2.93Å; A24-L650 HydrophobicContact CB-CB 3.99Å; A24-L650 HydrophobicContact CB-CD1 3.96Å; A24-L650 PolarHBondContact N-O 3.47Å
25H94.3Very high90.4Very high67 Ų6740.2 Ų40.231%0.3121%0.212SC..EExtended strand (participates in β ladder)trans-144.6147-175-175.2113.1000111.3G18 E20 K23 W43G18-H25 CarbonylContact C-O 3.26Å; G18-H25 VanDerWaalsContact C-O 3.26Å; G18-H25 WeakPolarHBondContact CA-O 3.5Å; G18-H25 PolarHBondContact O-N 3.38Å; E20-H25 HydrophobicContact CB-CB 3.61Å; E20-H25 IonicContact OE1-CE1 3.79Å; E20-H25 IonicContact OE1-ND1 3.88Å; E20-H25 IonicContact OE2-CE1 2.69Å; E20-H25 PolarHBondContact OE2-CE1 3.24Å; E20-H25 IonicContact OE2-CG 2.79Å; E20-H25 IonicContact OE2-ND1 3.02Å; E20-H25 PolarHBondContact OE2-ND1 2.8Å; K23-H25 PolarHBondContact O-N 3.32Å; H25-W43 CarbonylContact C-O 3.54Å
26G95.6Very high90Very high19 Ų1946.1 Ų46.120%0.19624%0.24CC..EExtended strand (participates in β ladder)trans73.2-144.9174.200000110.6S42 W43G26-S42 CarbonylContact O-C 3.58Å; G26-S42 VanDerWaalsContact O-CA 3.3Å; G26-S42 WeakPolarHBondContact O-CA 3.41Å; G26-W43 PolarHBondContact N-O 2.7Å; G26-W43 WeakPolarHBondContact O-CB 3.28Å; G26-W43 PolarHBondContact O-N 3.31Å
27Y96.7Very high89.7Confident85 Ų8546.1 Ų46.133%0.33324%0.24SC..EExtended strand (participates in β ladder)trans-84.3130.4-175-51.7-77.6000111.6G17 G18 M414 T418G17-Y27 VanDerWaalsContact CA-O 3.31Å; G17-Y27 WeakPolarHBondContact CA-O 3.45Å; G18-Y27 PolarHBondContact N-O 3.27Å; Y27-M414 HydrophobicContact CD1-CB 3.58Å; Y27-M414 HydrophobicContact CD2-CB 4.42Å; Y27-M414 HydrophobicContact CE1-CB 3.82Å; Y27-M414 HydrophobicContact CE1-CG 4.39Å; Y27-M414 HydrophobicContact CG-CB 3.91Å; Y27-T418 WeakPolarHBondContact O-CG2 3.47Å
28G94.9Very high89.7Confident0 Ų047 Ų470%024%0.244CC..EExtended strand (participates in β ladder)trans-166.1153.1-179.500000114.7C16 G41 W43C16-G28 WeakPolarHBondContact O-CA 3.08Å; G28-G41 PolarHBondContact N-O 3.03Å; G28-G41 PolarHBondContact O-N 2.9Å; G28-G41 VanDerWaalsContact O-O 3.09Å; G28-W43 PolarHBondContact O-NE1 2.82Å
29I95.3Very high89.8Confident6 Ų646.8 Ų46.83%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-103.4137.6173.4-43-175.3000108.6Y15 C16 E38 Y39 C40 A415 R416 A419 F426Y15-I29 CarbonylContact C-O 3.57Å; Y15-I29 WeakPolarHBondContact CA-O 3.39Å; C16-I29 PolarHBondContact N-O 2.76Å; C16-I29 PolarHBondContact O-N 2.86Å; I29-E38 HydrophobicContact CG2-CG 3.43Å; I29-E38 VanDerWaalsContact CG2-CG 3.43Å; I29-E38 WeakPolarHBondContact CG2-OE2 3.24Å; I29-Y39 CarbonylContact C-O 3.29Å; I29-Y39 WeakPolarHBondContact CA-O 3.22Å; I29-Y39 VanDerWaalsContact CG2-O 3.32Å; I29-Y39 WeakPolarHBondContact CG2-O 3.48Å; I29-C40 HydrophobicContact CG2-CB 4.2Å; I29-A415 HydrophobicContact CG1-CB 4.38Å; I29-R416 HydrophobicContact CD1-CG 3.86Å; I29-A419 HydrophobicContact CD1-CB 3.72Å; I29-A419 HydrophobicContact CG1-CB 3.82Å; I29-F426 HydrophobicContact CB-CE1 4.47Å; I29-F426 HydrophobicContact CD1-CE1 4.26Å
30C93.1Very high90.1Very high2 Ų244.8 Ų44.81%0.01423%0.233CC..EExtended strand (participates in β ladder)trans-130.8133.4171-156.40000110.3S14 Y15 E38 Y39 W43 M647S14-C30 CarbonylContact O-C 3.31Å; S14-C30 VanDerWaalsContact O-CA 3.32Å; S14-C30 WeakPolarHBondContact O-CA 3.3Å; Y15-C30 HydrophobicContact CD2-CB 3.96Å; C30-E38 CarbonylContact O-C 3.55Å; C30-E38 WeakPolarHBondContact O-CA 3.16Å; C30-Y39 PolarHBondContact N-O 2.97Å; C30-Y39 PolarHBondContact O-N 2.94Å; C30-W43 HydrophobicContact CB-CH2 3.8Å; C30-W43 HydrophobicContact CB-CZ2 3.46Å; C30-W43 VanDerWaalsContact CB-CZ2 3.46Å; C30-M647 HydrophobicContact CB-CE 4.33Å; C30-M647 WeakPolarHBondContact SG-CE 3.18Å
31T91.1Very high90.3Very high11 Ų1140.4 Ų40.47%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-105.3140.4172.136.30000111.1G13 S14 G37 E38 H428G13-T31 WeakPolarHBondContact CA-O 3.43Å; S14-T31 PolarHBondContact N-O 3.32Å; S14-T31 PolarHBondContact N-OG1 2.81Å; S14-T31 PolarHBondContact O-N 3.01Å; S14-T31 PolarHBondContact O-OG1 2.82Å; S14-T31 PolarHBondContact OG-OG1 2.99Å; S14-T31 VanDerWaalsContact OG-OG1 3.07Å; T31-G37 VanDerWaalsContact CA-O 3.27Å; T31-G37 WeakPolarHBondContact CA-O 3.35Å; T31-E38 HydrophobicContact CG2-CB 4.2Å; T31-E38 HydrophobicContact CG2-CG 4.17Å; T31-H428 VanDerWaalsContact CG2-CE1 3.43Å; T31-H428 WeakPolarHBondContact CG2-CE1 3.43Å; T31-H428 WeakPolarHBondContact CG2-NE2 3.49Å
32G83.8Confident90.7Very high5 Ų533.9 Ų33.95%0.05218%0.183CC..  trans-70.4178.7176.300000113.4G13 K34 G35 Q36 G37G13-G32 VanDerWaalsContact CA-O 3.25Å; G13-G32 WeakPolarHBondContact CA-O 3.48Å; G32-K34 PolarHBondContact O-N 3.11Å; G32-G35 WeakPolarHBondContact O-CA 3.31Å; G32-G35 PolarHBondContact O-N 3.22Å; G32-Q36 WeakPolarHBondContact CA-O 3.47Å; G32-Q36 PolarHBondContact O-N 3.49Å; G32-G37 PolarHBondContact N-O 2.92Å
33P82.7Confident91.2Very high68 Ų6832.7 Ų32.744%0.44217%0.169SC..G310 helixtrans-48.8135.2-178.2-28.434000113D11 G35 Q36D11-P33 HydrophobicContact CB-CB 4.08Å; P33-G35 PolarHBondContact O-N 3.45Å; P33-Q36 VanDerWaalsContact O-CB 3.28Å; P33-Q36 WeakPolarHBondContact O-CB 3.3Å; P33-Q36 WeakPolarHBondContact O-CG 3.19Å; P33-Q36 PolarHBondContact O-N 2.83Å
34K82.1Confident91.3Very high175 Ų17531.5 Ų31.576%0.76117%0.17SC*.G310 helixtrans55.226.9-175.4-50175.8-177.3176.60114.2D11 G32 Q36D11-K34 WeakPolarHBondContact O-CG 3.46Å; D11-K34 PolarHBondContact O-N 3.4Å; G32-K34 PolarHBondContact O-N 3.11Å; K34-Q36 VanDerWaalsContact C-N 3.29Å; K34-Q36 PolarHBondContact O-N 2.88Å
35G73.4Confident91.2Very high33 Ų3336.7 Ų36.734%0.3419%0.194SC..G310 helixtrans73.613.6-173.900000114.5G12 G32 P33 G37G12-G35 PolarHBondContact O-N 3.09Å; G32-G35 WeakPolarHBondContact O-CA 3.31Å; G32-G35 PolarHBondContact O-N 3.22Å; P33-G35 PolarHBondContact O-N 3.45Å; G35-G37 PolarHBondContact O-N 3.14Å
36Q84Confident91.1Very high123 Ų12333.5 Ų33.558%0.57518%0.179SC*.  trans-79.7102.6-175.9-67-165.40.400112.3G32 P33 K34 P56G32-Q36 WeakPolarHBondContact CA-O 3.47Å; G32-Q36 PolarHBondContact O-N 3.49Å; P33-Q36 VanDerWaalsContact O-CB 3.28Å; P33-Q36 WeakPolarHBondContact O-CB 3.3Å; P33-Q36 WeakPolarHBondContact O-CG 3.19Å; P33-Q36 PolarHBondContact O-N 2.83Å; K34-Q36 VanDerWaalsContact C-N 3.29Å; K34-Q36 PolarHBondContact O-N 2.88Å; Q36-P56 HydrophobicContact CB-CG 3.95Å
37G88.2Confident90.9Very high1 Ų136.2 Ų36.21%0.0119%0.186CC..SBendtrans85152.4178.400000112.4T31 G32 G35 T54T31-G37 VanDerWaalsContact CA-O 3.27Å; T31-G37 WeakPolarHBondContact CA-O 3.35Å; G32-G37 PolarHBondContact N-O 2.92Å; G35-G37 PolarHBondContact O-N 3.14Å; G37-T54 WeakPolarHBondContact CA-O 3.43Å
38E93.3Very high90.8Very high18 Ų1832.5 Ų32.58%0.08417%0.171CC..EExtended strand (participates in β ladder)trans-133121.9-173.8-170.9-163.26000110.2I29 C30 T31 Y53 T54 R416 H428I29-E38 HydrophobicContact CG2-CG 3.43Å; I29-E38 VanDerWaalsContact CG2-CG 3.43Å; I29-E38 WeakPolarHBondContact CG2-OE2 3.24Å; C30-E38 CarbonylContact O-C 3.55Å; C30-E38 WeakPolarHBondContact O-CA 3.16Å; T31-E38 HydrophobicContact CG2-CB 4.2Å; T31-E38 HydrophobicContact CG2-CG 4.17Å; E38-Y53 CarbonylContact O-C 3.58Å; E38-Y53 VanDerWaalsContact O-CA 3.3Å; E38-Y53 WeakPolarHBondContact O-CA 3.39Å; E38-Y53 WeakPolarHBondContact O-CD2 3.17Å; E38-T54 PolarHBondContact N-O 3.18Å; E38-T54 PolarHBondContact O-N 3.3Å; E38-R416 VanDerWaalsContact CD-NH1 3.27Å; E38-R416 IonicContact OE1-CZ 3.97Å; E38-R416 VanDerWaalsContact OE1-CZ 3.22Å; E38-R416 IonicContact OE1-NH1 3.56Å; E38-R416 PolarHBondContact OE1-NH1 2.81Å; E38-R416 IonicContact OE1-NH2 3.66Å; E38-R416 PolarHBondContact OE1-NH2 3.11Å; E38-R416 IonicContact OE2-CZ 3.83Å; E38-R416 IonicContact OE2-NH1 2.69Å; E38-R416 PolarHBondContact OE2-NH1 2.79Å; E38-H428 IonicContact OE2-CE1 3.48Å; E38-H428 PolarHBondContact OE2-CE1 3.33Å; E38-H428 IonicContact OE2-CG 2.66Å; E38-H428 IonicContact OE2-ND1 3.23Å; E38-H428 PolarHBondContact OE2-ND1 3.4Å
39Y95.8Very high90.9Very high4 Ų436.9 Ų36.92%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-88.6135.5158.2-178.9-88.2000109.5I29 C30 S42 W43 E48 L50 W65I29-Y39 CarbonylContact C-O 3.29Å; I29-Y39 WeakPolarHBondContact CA-O 3.22Å; I29-Y39 VanDerWaalsContact CG2-O 3.32Å; I29-Y39 WeakPolarHBondContact CG2-O 3.48Å; C30-Y39 PolarHBondContact N-O 2.97Å; C30-Y39 PolarHBondContact O-N 2.94Å; Y39-S42 PolarHBondContact OH-O 3.04Å; Y39-W43 AromaticContact CD1-CE2 3.63Å; Y39-W43 HydrophobicContact CD1-CH2 4.27Å; Y39-W43 AromaticContact CD1-CZ2 3.33Å; Y39-W43 HydrophobicContact CD1-CZ2 3.33Å; Y39-W43 AromaticContact CD1-NE1 3.67Å; Y39-W43 HydrophobicContact CE1-CD2 4.48Å; Y39-W43 AromaticContact CE1-CE2 3.66Å; Y39-W43 AromaticContact CE1-CZ2 3.81Å; Y39-W43 HydrophobicContact CE1-CZ2 3.81Å; Y39-W43 AromaticContact CE1-NE1 3.52Å; Y39-W43 HydrophobicContact CG-CZ2 4.07Å; Y39-E48 HydrophobicContact CD1-CG 4.33Å; Y39-E48 HydrophobicContact CD2-CB 4.31Å; Y39-E48 HydrophobicContact CD2-CG 3.81Å; Y39-E48 HydrophobicContact CE1-CB 4.36Å; Y39-E48 HydrophobicContact CE1-CG 4.19Å; Y39-E48 HydrophobicContact CE2-CB 3.66Å; Y39-E48 HydrophobicContact CE2-CG 3.68Å; Y39-E48 HydrophobicContact CG-CG 4.12Å; Y39-L50 PolarHBondContact OH-N 3.15Å; Y39-L50 PolarHBondContact OH-O 3.38Å; Y39-W65 HydrophobicContact CD2-CZ2 4.33Å; Y39-W65 AromaticContact CE2-CD1 3.76Å; Y39-W65 HydrophobicContact CE2-CD2 4.16Å; Y39-W65 AromaticContact CE2-CE2 3.85Å; Y39-W65 HydrophobicContact CE2-CG 4.14Å; Y39-W65 HydrophobicContact CE2-CZ2 4.46Å; Y39-W65 AromaticContact CE2-NE1 3.58Å
40C96.8Very high91Very high0 Ų037.9 Ų37.90%020%0.2CC..EExtended strand (participates in β ladder)trans-144.7108.8177.5-1730000109.8I29 V52 S412 R416I29-C40 HydrophobicContact CG2-CB 4.2Å; C40-V52 PolarHBondContact N-O 2.81Å; C40-V52 PolarHBondContact O-N 2.63Å; C40-S412 VanDerWaalsContact CB-OG 3.27Å; C40-S412 WeakPolarHBondContact CB-OG 3.34Å; C40-S412 WeakPolarHBondContact O-CA 3.43Å; C40-S412 WeakPolarHBondContact O-CB 3.39Å; C40-S412 PolarHBondContact O-OG 3.02Å; C40-S412 PolarHBondContact SG-O 2.71Å; C40-S412 PolarHBondContact SG-OG 3.22Å; C40-R416 VanDerWaalsContact SG-CG 3.53Å; C40-R416 VanDerWaalsContact SG-CZ 3.52Å
41G97.3Very high91.2Very high0 Ų037.8 Ų37.80%020%0.199CC..EExtended strand (participates in β ladder)trans172.5-153.8-173.600000112.8G28 L50G28-G41 PolarHBondContact N-O 3.03Å; G28-G41 PolarHBondContact O-N 2.9Å; G28-G41 VanDerWaalsContact O-O 3.09Å; G41-L50 WeakPolarHBondContact CA-O 3.38Å
42S97.3Very high91.6Very high9 Ų937.6 Ų37.66%0.06320%0.198CC..EExtended strand (participates in β ladder)trans-93.7151.7177.747.50000114.5G26 Y39 L49 L50 E411G26-S42 CarbonylContact O-C 3.58Å; G26-S42 VanDerWaalsContact O-CA 3.3Å; G26-S42 WeakPolarHBondContact O-CA 3.41Å; Y39-S42 PolarHBondContact OH-O 3.04Å; S42-L49 PolarHBondContact O-N 3.27Å; S42-L50 PolarHBondContact N-O 3Å; S42-L50 PolarHBondContact OG-O 3.07Å; S42-E411 WeakPolarHBondContact CB-OE2 3.38Å; S42-E411 PolarHBondContact OG-OE2 3.18Å
43W95.6Very high92.2Very high5 Ų538.3 Ų38.32%0.01920%0.199CC..EExtended strand (participates in β ladder)trans-127.8144.6-175.1-6480.8000110.5Y15 A24 H25 G26 G28 C30 Y39 F47 E48 L650Y15-W43 HydrophobicContact CD2-CZ2 4.36Å; Y15-W43 AromaticContact CE2-CD2 3.96Å; Y15-W43 HydrophobicContact CE2-CD2 3.96Å; Y15-W43 AromaticContact CE2-CE2 3.68Å; Y15-W43 HydrophobicContact CE2-CG 4.23Å; Y15-W43 HydrophobicContact CE2-CZ2 4.11Å; Y15-W43 AromaticContact CE2-NE1 3.72Å; A24-W43 HydrophobicContact CB-CB 4.37Å; A24-W43 HydrophobicContact CB-CD2 4.19Å; A24-W43 HydrophobicContact CB-CE3 3.95Å; A24-W43 HydrophobicContact CB-CG 4.37Å; H25-W43 CarbonylContact C-O 3.54Å; G26-W43 PolarHBondContact N-O 2.7Å; G26-W43 WeakPolarHBondContact O-CB 3.28Å; G26-W43 PolarHBondContact O-N 3.31Å; G28-W43 PolarHBondContact O-NE1 2.82Å; C30-W43 HydrophobicContact CB-CH2 3.8Å; C30-W43 HydrophobicContact CB-CZ2 3.46Å; C30-W43 VanDerWaalsContact CB-CZ2 3.46Å; Y39-W43 AromaticContact CD1-CE2 3.63Å; Y39-W43 HydrophobicContact CD1-CH2 4.27Å; Y39-W43 AromaticContact CD1-CZ2 3.33Å; Y39-W43 HydrophobicContact CD1-CZ2 3.33Å; Y39-W43 AromaticContact CD1-NE1 3.67Å; Y39-W43 HydrophobicContact CE1-CD2 4.48Å; Y39-W43 AromaticContact CE1-CE2 3.66Å; Y39-W43 AromaticContact CE1-CZ2 3.81Å; Y39-W43 HydrophobicContact CE1-CZ2 3.81Å; Y39-W43 AromaticContact CE1-NE1 3.52Å; Y39-W43 HydrophobicContact CG-CZ2 4.07Å; W43-F47 CarbonylContact C-O 3.48Å; W43-F47 VanDerWaalsContact CA-O 3.24Å; W43-F47 WeakPolarHBondContact CA-O 3.49Å; W43-E48 HydrophobicContact CE3-CG 4.49Å; W43-E48 HydrophobicContact CH2-CG 3.83Å; W43-E48 HydrophobicContact CZ2-CG 4.32Å; W43-E48 HydrophobicContact CZ3-CG 3.93Å; W43-L650 HydrophobicContact CE3-CD1 4.21Å; W43-L650 HydrophobicContact CH2-CD1 3.87Å; W43-L650 HydrophobicContact CZ3-CD1 3.6Å; W43-L650 HydrophobicContact CZ3-CG 4.42Å
44A94.3Very high92.7Very high31 Ų3136.4 Ų36.426%0.25619%0.186SC..EExtended strand (participates in β ladder)trans-141126.2171.600000109.9G46 F47A44-G46 PolarHBondContact O-N 2.9Å; A44-G46 VanDerWaalsContact O-N 3.11Å; A44-F47 PolarHBondContact N-O 2.78Å; A44-F47 PolarHBondContact O-N 2.88Å
45H90.6Very high93.1Very high108 Ų10829.9 Ų29.950%0.516%0.157SC..THydrogen-bonded Turntrans50.733.7177.9-53.885000114.6K23K23-H45 HydrophobicContact CD-CB 4.29Å
46G91.2Very high93.8Very high0 Ų031.8 Ų31.80%016%0.163CC..THydrogen-bonded Turntrans90.73.3179.500000115.8A24 A44A24-G46 PolarHBondContact O-N 2.93Å; A44-G46 PolarHBondContact O-N 2.9Å; A44-G46 VanDerWaalsContact O-N 3.11Å
47F92.6Very high93.9Very high77 Ų7729.3 Ų29.334%0.33816%0.16SC..EExtended strand (participates in β ladder)trans-119.8154.5178.5-65.1-75.9000113W43 A44 P649W43-F47 CarbonylContact C-O 3.48Å; W43-F47 VanDerWaalsContact CA-O 3.24Å; W43-F47 WeakPolarHBondContact CA-O 3.49Å; A44-F47 PolarHBondContact N-O 2.78Å; A44-F47 PolarHBondContact O-N 2.88Å; F47-P649 HydrophobicContact CE1-CG 4.31Å; F47-P649 HydrophobicContact CE2-CG 4.43Å; F47-P649 HydrophobicContact CZ-CB 4.44Å; F47-P649 HydrophobicContact CZ-CG 3.8Å
48E94.6Very high94Very high6 Ų630.7 Ų30.73%0.02817%0.174CC..EExtended strand (participates in β ladder)trans-68138.6172.5-52.781-179.600111.4Y39 W43 W65 G68Y39-E48 HydrophobicContact CD1-CG 4.33Å; Y39-E48 HydrophobicContact CD2-CB 4.31Å; Y39-E48 HydrophobicContact CD2-CG 3.81Å; Y39-E48 HydrophobicContact CE1-CB 4.36Å; Y39-E48 HydrophobicContact CE1-CG 4.19Å; Y39-E48 HydrophobicContact CE2-CB 3.66Å; Y39-E48 HydrophobicContact CE2-CG 3.68Å; Y39-E48 HydrophobicContact CG-CG 4.12Å; W43-E48 HydrophobicContact CE3-CG 4.49Å; W43-E48 HydrophobicContact CH2-CG 3.83Å; W43-E48 HydrophobicContact CZ2-CG 4.32Å; W43-E48 HydrophobicContact CZ3-CG 3.93Å; E48-W65 HydrophobicContact CB-CB 3.63Å; E48-W65 HydrophobicContact CB-CD2 4.27Å; E48-W65 HydrophobicContact CB-CG 3.88Å; E48-W65 WeakPolarHBondContact O-CB 3.3Å; E48-G68 WeakPolarHBondContact OE2-CA 3.46Å; E48-G68 PolarHBondContact OE2-N 3.45Å
49L95.9Very high93.9Very high92 Ų9231.8 Ų31.848%0.48218%0.18SC..EExtended strand (participates in β ladder)trans-117.8-58178.7-177.763.7000112.8S42 T64 W65S42-L49 PolarHBondContact O-N 3.27Å; L49-T64 WeakPolarHBondContact O-CA 3.37Å; L49-W65 PolarHBondContact O-N 3.19Å
50L98.1Very high94Very high28 Ų2832.6 Ų32.615%0.14719%0.186CC..EExtended strand (participates in β ladder)trans-149.5118.8-176.5179.858.8000109.5Y39 G41 S42 T64 K407 A408 E411Y39-L50 PolarHBondContact OH-N 3.15Å; Y39-L50 PolarHBondContact OH-O 3.38Å; G41-L50 WeakPolarHBondContact CA-O 3.38Å; S42-L50 PolarHBondContact N-O 3Å; S42-L50 PolarHBondContact OG-O 3.07Å; L50-T64 HydrophobicContact CD1-CG2 3.9Å; L50-K407 HydrophobicContact CD2-CB 3.92Å; L50-A408 HydrophobicContact CD1-CB 3.87Å; L50-A408 HydrophobicContact CG-CB 4.39Å; L50-E411 HydrophobicContact CB-CG 4.25Å; L50-E411 HydrophobicContact CD2-CG 3.87Å; L50-E411 HydrophobicContact CG-CG 3.85Å; L50-E411 WeakPolarHBondContact O-CB 3.39Å
51G97.5Very high94Very high0 Ų032.6 Ų32.60%019%0.186CC..EExtended strand (participates in β ladder)trans179.3172-17100000115G63 W65G51-G63 PolarHBondContact N-O 3.36Å; G51-G63 VanDerWaalsContact N-O 3.14Å; G51-G63 PolarHBondContact O-N 3.08Å; G51-W65 PolarHBondContact O-NE1 3.16Å
52V98.1Very high94.1Very high7 Ų734.2 Ų34.24%0.04219%0.193CC..EExtended strand (participates in β ladder)trans-98.3128.2176.4-178.10000109C40 Y61 Q62 A408C40-V52 PolarHBondContact N-O 2.81Å; C40-V52 PolarHBondContact O-N 2.63Å; V52-Y61 CarbonylContact C-O 3.59Å; V52-Y61 VanDerWaalsContact CA-O 3.32Å; V52-Y61 WeakPolarHBondContact CA-O 3.37Å; V52-Q62 HydrophobicContact CG1-CG 4.05Å; V52-Q62 HydrophobicContact CG2-CB 4.39Å; V52-Q62 HydrophobicContact CG2-CG 4.07Å; V52-A408 HydrophobicContact CG2-CB 4.35Å
53Y96.1Very high94.1Very high19 Ų1933.8 Ų33.88%0.07519%0.19CC..EExtended strand (participates in β ladder)trans-106.9137.3164.7-173-100.3000110.4E38 W55 T60 Y61 W65 M645E38-Y53 CarbonylContact O-C 3.58Å; E38-Y53 VanDerWaalsContact O-CA 3.3Å; E38-Y53 WeakPolarHBondContact O-CA 3.39Å; E38-Y53 WeakPolarHBondContact O-CD2 3.17Å; Y53-W55 AromaticContact CD1-CD2 3.71Å; Y53-W55 HydrophobicContact CD1-CD2 3.71Å; Y53-W55 AromaticContact CD1-CE2 3.79Å; Y53-W55 AromaticContact CD1-CE3 3.93Å; Y53-W55 HydrophobicContact CD1-CE3 3.93Å; Y53-W55 HydrophobicContact CD1-CG 4.2Å; Y53-W55 HydrophobicContact CD1-CH2 4.3Å; Y53-W55 HydrophobicContact CD1-CZ2 4.09Å; Y53-W55 HydrophobicContact CD1-CZ3 4.23Å; Y53-W55 HydrophobicContact CE1-CB 4.46Å; Y53-W55 AromaticContact CE1-CD1 3.71Å; Y53-W55 AromaticContact CE1-CD2 3.68Å; Y53-W55 HydrophobicContact CE1-CD2 3.68Å; Y53-W55 AromaticContact CE1-CE2 3.67Å; Y53-W55 HydrophobicContact CE1-CE3 4.35Å; Y53-W55 AromaticContact CE1-CG 3.71Å; Y53-W55 HydrophobicContact CE1-CG 3.71Å; Y53-W55 HydrophobicContact CE1-CZ2 4.32Å; Y53-W55 AromaticContact CE1-NE1 3.67Å; Y53-T60 CarbonylContact O-C 3.55Å; Y53-T60 VanDerWaalsContact O-CA 3.22Å; Y53-T60 WeakPolarHBondContact O-CA 3.34Å; Y53-Y61 PolarHBondContact N-O 2.92Å; Y53-Y61 PolarHBondContact O-N 2.88Å; Y53-W65 VanDerWaalsContact CB-CZ2 3.45Å; Y53-W65 HydrophobicContact CG-CH2 4.14Å; Y53-W65 HydrophobicContact CG-CZ2 4.3Å; Y53-M645 HydrophobicContact CD2-CE 3.81Å; Y53-M645 HydrophobicContact CE1-CE 4.27Å; Y53-M645 HydrophobicContact CE2-CE 3.53Å; Y53-M645 HydrophobicContact CE2-SD 3.9Å; Y53-M645 HydrophobicContact CG-CE 4.31Å
54T94.5Very high94.2Very high29 Ų2935.6 Ų35.618%0.17820%0.202CC..EExtended strand (participates in β ladder)trans-121.3116.8176.5-54.60000109.2G37 E38 T60G37-T54 WeakPolarHBondContact CA-O 3.43Å; E38-T54 PolarHBondContact N-O 3.18Å; E38-T54 PolarHBondContact O-N 3.3Å; T54-T60 HydrophobicContact CG2-CG2 4.06Å
55W90.3Very high94.3Very high38 Ų3834.9 Ų34.914%0.14419%0.192CC..  trans-73.3158.5174.2-75.7-91.8000111Y53 S57 G58 N59Y53-W55 AromaticContact CD1-CD2 3.71Å; Y53-W55 HydrophobicContact CD1-CD2 3.71Å; Y53-W55 AromaticContact CD1-CE2 3.79Å; Y53-W55 AromaticContact CD1-CE3 3.93Å; Y53-W55 HydrophobicContact CD1-CE3 3.93Å; Y53-W55 HydrophobicContact CD1-CG 4.2Å; Y53-W55 HydrophobicContact CD1-CH2 4.3Å; Y53-W55 HydrophobicContact CD1-CZ2 4.09Å; Y53-W55 HydrophobicContact CD1-CZ3 4.23Å; Y53-W55 HydrophobicContact CE1-CB 4.46Å; Y53-W55 AromaticContact CE1-CD1 3.71Å; Y53-W55 AromaticContact CE1-CD2 3.68Å; Y53-W55 HydrophobicContact CE1-CD2 3.68Å; Y53-W55 AromaticContact CE1-CE2 3.67Å; Y53-W55 HydrophobicContact CE1-CE3 4.35Å; Y53-W55 AromaticContact CE1-CG 3.71Å; Y53-W55 HydrophobicContact CE1-CG 3.71Å; Y53-W55 HydrophobicContact CE1-CZ2 4.32Å; Y53-W55 AromaticContact CE1-NE1 3.67Å; W55-S57 PolarHBondContact O-N 2.58Å; W55-G58 PolarHBondContact O-N 2.87Å; W55-N59 HydrophobicContact CB-CB 4.3Å; W55-N59 HydrophobicContact CD2-CB 4.44Å; W55-N59 HydrophobicContact CE3-CB 3.85Å; W55-N59 PolarHBondContact N-O 2.79Å
56P87.8Confident94.5Very high72 Ų7231.4 Ų31.447%0.46818%0.182SC..THydrogen-bonded Turntrans-55.3-21173.6-27.135.1000115Q36 G58Q36-P56 HydrophobicContact CB-CG 3.95Å; P56-G58 VanDerWaalsContact C-N 3.3Å; P56-G58 PolarHBondContact O-N 2.65Å
57S87.3Confident94.4Very high72 Ų7238.3 Ų38.350%0.50322%0.215SC..THydrogen-bonded Turntrans-79-4.1175.857.80000114.8W55 N59W55-S57 PolarHBondContact O-N 2.58Å; S57-N59 PolarHBondContact O-N 3.3Å; S57-N59 VanDerWaalsContact OG-CG 3.24Å; S57-N59 PolarHBondContact OG-N 3.41Å; S57-N59 PolarHBondContact OG-ND2 3.27Å
58G88.6Confident94.2Very high30 Ų3035 Ų3531%0.30920%0.202SC..SBendtrans78.6-0.2-170.600000114.7W55 P56W55-G58 PolarHBondContact O-N 2.87Å; P56-G58 VanDerWaalsContact C-N 3.3Å; P56-G58 PolarHBondContact O-N 2.65Å
59N92.8Very high94.1Very high40 Ų4038.3 Ų38.321%0.21422%0.216CC..  trans-61.9150166-62.3-28.9000109.4W55 S57 N77 K78W55-N59 HydrophobicContact CB-CB 4.3Å; W55-N59 HydrophobicContact CD2-CB 4.44Å; W55-N59 HydrophobicContact CE3-CB 3.85Å; W55-N59 PolarHBondContact N-O 2.79Å; S57-N59 PolarHBondContact O-N 3.3Å; S57-N59 VanDerWaalsContact OG-CG 3.24Å; S57-N59 PolarHBondContact OG-N 3.41Å; S57-N59 PolarHBondContact OG-ND2 3.27Å; N59-N77 VanDerWaalsContact CA-O 3.28Å; N59-N77 WeakPolarHBondContact CA-O 3.43Å; N59-N77 WeakPolarHBondContact CB-O 3.37Å; N59-K78 WeakPolarHBondContact OD1-CA 3.44Å
60T96.2Very high94.1Very high22 Ų2234.2 Ų34.214%0.13520%0.195CC..EExtended strand (participates in β ladder)trans-134.4150.417758.30000112.8Y53 T54 Q62 E76 N77Y53-T60 CarbonylContact O-C 3.55Å; Y53-T60 VanDerWaalsContact O-CA 3.22Å; Y53-T60 WeakPolarHBondContact O-CA 3.34Å; T54-T60 HydrophobicContact CG2-CG2 4.06Å; T60-Q62 PolarHBondContact OG1-NE2 3Å; T60-E76 CarbonylContact O-C 3.51Å; T60-E76 WeakPolarHBondContact O-CA 3.11Å; T60-N77 PolarHBondContact N-O 2.87Å; T60-N77 PolarHBondContact O-N 2.68Å
61Y97.6Very high94Very high0 Ų035.9 Ų35.90%020%0.202CC..EExtended strand (participates in β ladder)trans-122.6135.5164.1172.3-89.9000109V52 Y53 T64 W65 R70 H71 V75 E76 W87V52-Y61 CarbonylContact C-O 3.59Å; V52-Y61 VanDerWaalsContact CA-O 3.32Å; V52-Y61 WeakPolarHBondContact CA-O 3.37Å; Y53-Y61 PolarHBondContact N-O 2.92Å; Y53-Y61 PolarHBondContact O-N 2.88Å; Y61-T64 WeakPolarHBondContact CE1-O 3.36Å; Y61-T64 PolarHBondContact OH-O 3.16Å; Y61-W65 AromaticContact CD1-CE2 3.58Å; Y61-W65 HydrophobicContact CD1-CH2 4.32Å; Y61-W65 AromaticContact CD1-CZ2 3.38Å; Y61-W65 HydrophobicContact CD1-CZ2 3.38Å; Y61-W65 AromaticContact CD1-NE1 3.62Å; Y61-W65 HydrophobicContact CE1-CD2 4.35Å; Y61-W65 AromaticContact CE1-CE2 3.62Å; Y61-W65 AromaticContact CE1-CZ2 3.89Å; Y61-W65 HydrophobicContact CE1-CZ2 3.89Å; Y61-W65 AromaticContact CE1-NE1 3.45Å; Y61-W65 HydrophobicContact CG-CZ2 4.29Å; Y61-R70 HydrophobicContact CD1-CG 4.07Å; Y61-R70 HydrophobicContact CD2-CB 4.49Å; Y61-R70 HydrophobicContact CD2-CG 4.02Å; Y61-R70 HydrophobicContact CE1-CB 4.29Å; Y61-R70 HydrophobicContact CE1-CG 4.03Å; Y61-R70 HydrophobicContact CE2-CB 3.97Å; Y61-R70 HydrophobicContact CE2-CG 3.99Å; Y61-R70 HydrophobicContact CG-CG 4.03Å; Y61-H71 PolarHBondContact OH-O 2.84Å; Y61-V75 CarbonylContact C-O 3.6Å; Y61-V75 WeakPolarHBondContact CA-O 3.32Å; Y61-E76 HydrophobicContact CD2-CB 4.48Å; Y61-W87 HydrophobicContact CD2-CZ2 4.17Å; Y61-W87 AromaticContact CE2-CD1 3.78Å; Y61-W87 AromaticContact CE2-CD2 3.76Å; Y61-W87 HydrophobicContact CE2-CD2 3.76Å; Y61-W87 AromaticContact CE2-CE2 3.58Å; Y61-W87 HydrophobicContact CE2-CE3 4.43Å; Y61-W87 AromaticContact CE2-CG 3.9Å; Y61-W87 HydrophobicContact CE2-CG 3.9Å; Y61-W87 HydrophobicContact CE2-CZ2 4.11Å; Y61-W87 AromaticContact CE2-NE1 3.59Å
62Q98.4Very high94Very high34 Ų3437.3 Ų37.316%0.15922%0.216CC..EExtended strand (participates in β ladder)trans-134.3104.1-171.8-55.1163.319.700107.6V52 T60 G74 V75 A405 H409V52-Q62 HydrophobicContact CG1-CG 4.05Å; V52-Q62 HydrophobicContact CG2-CB 4.39Å; V52-Q62 HydrophobicContact CG2-CG 4.07Å; T60-Q62 PolarHBondContact OG1-NE2 3Å; Q62-G74 CarbonylContact O-C 3.52Å; Q62-G74 VanDerWaalsContact O-CA 3.25Å; Q62-G74 WeakPolarHBondContact O-CA 3.44Å; Q62-V75 PolarHBondContact N-O 3.48Å; Q62-V75 PolarHBondContact O-N 2.74Å; Q62-A405 HydrophobicContact CB-CB 3.63Å; Q62-A405 WeakPolarHBondContact O-CB 3.43Å; Q62-H409 VanDerWaalsContact CD-NE2 3.25Å; Q62-H409 PolarHBondContact OE1-NE2 2.85Å; Q62-H409 VanDerWaalsContact OE1-NE2 3.16Å
63G98.2Very high94Very high0 Ų039.2 Ų39.20%023%0.226CC..EExtended strand (participates in β ladder)trans164.7-162.8-175.600000114.2G51 W65 L73G51-G63 PolarHBondContact N-O 3.36Å; G51-G63 VanDerWaalsContact N-O 3.14Å; G51-G63 PolarHBondContact O-N 3.08Å; G63-W65 PolarHBondContact O-NE1 3.41Å; G63-L73 WeakPolarHBondContact CA-O 3.23Å
64T98.1Very high94.1Very high43 Ų4338.3 Ų38.326%0.26422%0.222SC..EExtended strand (participates in β ladder)trans-77.5155.8179.543.90000113L49 L50 Y61 H71 G72 L73L49-T64 WeakPolarHBondContact O-CA 3.37Å; L50-T64 HydrophobicContact CD1-CG2 3.9Å; Y61-T64 WeakPolarHBondContact CE1-O 3.36Å; Y61-T64 PolarHBondContact OH-O 3.16Å; T64-H71 CarbonylContact C-O 3.59Å; T64-H71 VanDerWaalsContact C-O 3.31Å; T64-H71 WeakPolarHBondContact CB-O 3.26Å; T64-H71 PolarHBondContact O-N 3.24Å; T64-H71 PolarHBondContact OG1-O 3.17Å; T64-G72 WeakPolarHBondContact OG1-CA 3.39Å; T64-L73 PolarHBondContact N-O 3.08Å; T64-L73 PolarHBondContact OG1-N 3.33Å; T64-L73 PolarHBondContact OG1-O 3.24Å
65W96.7Very high94.3Very high15 Ų1537.4 Ų37.46%0.05722%0.217CC..EExtended strand (participates in β ladder)trans-132.6156.6-179.1-67.278.8000110.4Y39 E48 L49 G51 Y53 Y61 G63 R70 M645Y39-W65 HydrophobicContact CD2-CZ2 4.33Å; Y39-W65 AromaticContact CE2-CD1 3.76Å; Y39-W65 HydrophobicContact CE2-CD2 4.16Å; Y39-W65 AromaticContact CE2-CE2 3.85Å; Y39-W65 HydrophobicContact CE2-CG 4.14Å; Y39-W65 HydrophobicContact CE2-CZ2 4.46Å; Y39-W65 AromaticContact CE2-NE1 3.58Å; E48-W65 HydrophobicContact CB-CB 3.63Å; E48-W65 HydrophobicContact CB-CD2 4.27Å; E48-W65 HydrophobicContact CB-CG 3.88Å; E48-W65 WeakPolarHBondContact O-CB 3.3Å; L49-W65 PolarHBondContact O-N 3.19Å; G51-W65 PolarHBondContact O-NE1 3.16Å; Y53-W65 VanDerWaalsContact CB-CZ2 3.45Å; Y53-W65 HydrophobicContact CG-CH2 4.14Å; Y53-W65 HydrophobicContact CG-CZ2 4.3Å; Y61-W65 AromaticContact CD1-CE2 3.58Å; Y61-W65 HydrophobicContact CD1-CH2 4.32Å; Y61-W65 AromaticContact CD1-CZ2 3.38Å; Y61-W65 HydrophobicContact CD1-CZ2 3.38Å; Y61-W65 AromaticContact CD1-NE1 3.62Å; Y61-W65 HydrophobicContact CE1-CD2 4.35Å; Y61-W65 AromaticContact CE1-CE2 3.62Å; Y61-W65 AromaticContact CE1-CZ2 3.89Å; Y61-W65 HydrophobicContact CE1-CZ2 3.89Å; Y61-W65 AromaticContact CE1-NE1 3.45Å; Y61-W65 HydrophobicContact CG-CZ2 4.29Å; G63-W65 PolarHBondContact O-NE1 3.41Å; W65-R70 HydrophobicContact CH2-CG 4.04Å; W65-R70 HydrophobicContact CZ2-CG 4.41Å; W65-R70 HydrophobicContact CZ3-CG 4.14Å; W65-M645 HydrophobicContact CH2-CE 4.1Å; W65-M645 HydrophobicContact CZ3-CE 4.04Å
66A93.9Very high94.6Very high35 Ų3536.6 Ų36.629%0.28922%0.215SC..EExtended strand (participates in β ladder)trans-153.1129168.500000109.5G68 K69 H71A66-G68 PolarHBondContact O-N 3.03Å; A66-K69 PolarHBondContact N-O 2.77Å; A66-K69 PolarHBondContact O-N 2.94Å; A66-K69 VanDerWaalsContact O-O 3.11Å; A66-H71 HydrophobicContact CB-CB 3.79Å
67Q89.8Confident95Very high146 Ų14635.8 Ų35.868%0.68221%0.207SC*.THydrogen-bonded Turntrans53.650.6174.3-55.9174.3-5.600113K69Q67-K69 PolarHBondContact O-N 2.86Å; Q67-K69 VanDerWaalsContact O-N 3.15Å
68G87.8Confident95.2Very high7 Ų735.8 Ų35.87%0.07220%0.198CC..THydrogen-bonded Turntrans70.41.8-177.900000115.4E48 A66E48-G68 WeakPolarHBondContact OE2-CA 3.46Å; E48-G68 PolarHBondContact OE2-N 3.45Å; A66-G68 PolarHBondContact O-N 3.03Å
69K92.8Very high95.1Very high75 Ų7536.6 Ų36.633%0.32621%0.206SC..EExtended strand (participates in β ladder)trans-125.3145.5-169.4-67.7170.6-174.3172.60112.3A66 Q67 H71 E644A66-K69 PolarHBondContact N-O 2.77Å; A66-K69 PolarHBondContact O-N 2.94Å; A66-K69 VanDerWaalsContact O-O 3.11Å; Q67-K69 PolarHBondContact O-N 2.86Å; Q67-K69 VanDerWaalsContact O-N 3.15Å; K69-H71 PolarHBondContact O-N 3.05Å; K69-E644 VanDerWaalsContact CE-OE1 3.24Å; K69-E644 WeakPolarHBondContact CE-OE1 3.48Å; K69-E644 IonicContact NZ-OE1 2.74Å; K69-E644 PolarHBondContact NZ-OE1 3.19Å
70R95.3Very high94.8Very high7 Ų741.7 Ų41.73%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-58.8126.3175-59.3178.9-77.9-175.5-4.7110Y61 W65 E76 W87 G90 N642Y61-R70 HydrophobicContact CD1-CG 4.07Å; Y61-R70 HydrophobicContact CD2-CB 4.49Å; Y61-R70 HydrophobicContact CD2-CG 4.02Å; Y61-R70 HydrophobicContact CE1-CB 4.29Å; Y61-R70 HydrophobicContact CE1-CG 4.03Å; Y61-R70 HydrophobicContact CE2-CB 3.97Å; Y61-R70 HydrophobicContact CE2-CG 3.99Å; Y61-R70 HydrophobicContact CG-CG 4.03Å; W65-R70 HydrophobicContact CH2-CG 4.04Å; W65-R70 HydrophobicContact CZ2-CG 4.41Å; W65-R70 HydrophobicContact CZ3-CG 4.14Å; R70-E76 IonicContact CZ-OE1 3.52Å; R70-E76 IonicContact NH1-OE1 3.51Å; R70-E76 PolarHBondContact NH1-OE1 3.49Å; R70-W87 HydrophobicContact CB-CB 4.47Å; R70-W87 HydrophobicContact CB-CD2 4.26Å; R70-W87 HydrophobicContact CB-CE3 3.85Å; R70-W87 VanDerWaalsContact CZ-CZ3 3.47Å; R70-G90 PolarHBondContact NE-O 3Å; R70-G90 PolarHBondContact NH2-O 3.36Å; R70-G90 PolarHBondContact O-N 3.16Å; R70-N642 PolarHBondContact NH2-OD1 3.12Å
71H96.3Very high94.5Very high63 Ų6342.4 Ų42.429%0.29222%0.222SC..EExtended strand (participates in β ladder)trans-151.2158.8-173-156.2103000111.1Y61 T64 A66 K69 L73 W87Y61-H71 PolarHBondContact OH-O 2.84Å; T64-H71 CarbonylContact C-O 3.59Å; T64-H71 VanDerWaalsContact C-O 3.31Å; T64-H71 WeakPolarHBondContact CB-O 3.26Å; T64-H71 PolarHBondContact O-N 3.24Å; T64-H71 PolarHBondContact OG1-O 3.17Å; A66-H71 HydrophobicContact CB-CB 3.79Å; K69-H71 PolarHBondContact O-N 3.05Å; H71-L73 PolarHBondContact O-N 2.78Å; H71-W87 CarbonylContact C-O 3.45Å
72G97.6Very high94.4Very high30 Ų3043.1 Ų43.131%0.30923%0.226SC..EExtended strand (participates in β ladder)trans79.3-110.2170.100000112.2T64 E86 W87T64-G72 WeakPolarHBondContact OG1-CA 3.39Å; G72-E86 CarbonylContact O-C 3.49Å; G72-E86 VanDerWaalsContact O-CA 3.26Å; G72-E86 WeakPolarHBondContact O-CA 3.38Å; G72-W87 PolarHBondContact N-O 3.26Å; G72-W87 PolarHBondContact O-N 2.87Å
73L98.5Very high94.4Very high46 Ų4641.6 Ų41.624%0.24122%0.219CC..EExtended strand (participates in β ladder)trans-127.6137.1178.6-70.8171.8000110.6G63 T64 H71 G85 E86 K397 A400 A401 A404G63-L73 WeakPolarHBondContact CA-O 3.23Å; T64-L73 PolarHBondContact N-O 3.08Å; T64-L73 PolarHBondContact OG1-N 3.33Å; T64-L73 PolarHBondContact OG1-O 3.24Å; H71-L73 PolarHBondContact O-N 2.78Å; L73-G85 WeakPolarHBondContact CA-O 3.35Å; L73-E86 HydrophobicContact CD2-CG 4.12Å; L73-K397 HydrophobicContact CD2-CD 4.26Å; L73-A400 HydrophobicContact CD1-CB 3.78Å; L73-A401 HydrophobicContact CB-CB 4.42Å; L73-A401 HydrophobicContact CD2-CB 4.45Å; L73-A404 HydrophobicContact CB-CB 3.9Å
74G98.1Very high94.4Very high0 Ų043.7 Ų43.70%023%0.228CC..EExtended strand (participates in β ladder)trans-174.7162.9179.700000115Q62 G85 W87Q62-G74 CarbonylContact O-C 3.52Å; Q62-G74 VanDerWaalsContact O-CA 3.25Å; Q62-G74 WeakPolarHBondContact O-CA 3.44Å; G74-G85 PolarHBondContact N-O 3.07Å; G74-G85 PolarHBondContact O-N 2.84Å; G74-W87 PolarHBondContact O-NE1 3.1Å
75V98.6Very high94.4Very high11 Ų1141.7 Ų41.77%0.06722%0.216CC..EExtended strand (participates in β ladder)trans-111.2127.1178.5-179.40000109.4Y61 Q62 V82 Y83 K84 A401 V402 A405Y61-V75 CarbonylContact C-O 3.6Å; Y61-V75 WeakPolarHBondContact CA-O 3.32Å; Q62-V75 PolarHBondContact N-O 3.48Å; Q62-V75 PolarHBondContact O-N 2.74Å; V75-V82 HydrophobicContact CG1-CG1 3.72Å; V75-Y83 CarbonylContact C-O 3.54Å; V75-Y83 VanDerWaalsContact CA-O 3.26Å; V75-Y83 WeakPolarHBondContact CA-O 3.17Å; V75-K84 HydrophobicContact CG1-CG 4.07Å; V75-K84 HydrophobicContact CG2-CB 4.37Å; V75-K84 HydrophobicContact CG2-CG 4Å; V75-A401 HydrophobicContact CG2-CB 4.32Å; V75-V402 HydrophobicContact CG2-CG2 4.25Å; V75-A405 HydrophobicContact CB-CB 4.02Å; V75-A405 HydrophobicContact CG2-CB 3.71Å
76E97.2Very high94.5Very high21 Ų2142.5 Ų42.510%0.09822%0.221CC..EExtended strand (participates in β ladder)trans-106.7130.3170.4174.2-175-120.400109T60 Y61 R70 V82 Y83 W87T60-E76 CarbonylContact O-C 3.51Å; T60-E76 WeakPolarHBondContact O-CA 3.11Å; Y61-E76 HydrophobicContact CD2-CB 4.48Å; R70-E76 IonicContact CZ-OE1 3.52Å; R70-E76 IonicContact NH1-OE1 3.51Å; R70-E76 PolarHBondContact NH1-OE1 3.49Å; E76-V82 CarbonylContact O-C 3.51Å; E76-V82 VanDerWaalsContact O-CA 3.26Å; E76-V82 WeakPolarHBondContact O-CA 3.38Å; E76-Y83 PolarHBondContact N-O 3.2Å; E76-Y83 PolarHBondContact O-N 3.04Å; E76-W87 HydrophobicContact CB-CH2 3.96Å; E76-W87 HydrophobicContact CB-CZ2 3.61Å; E76-W87 HydrophobicContact CG-CH2 4.46Å
77N95.9Very high94.6Very high55 Ų5541 Ų4129%0.29421%0.207SC..EExtended strand (participates in β ladder)trans-110.2115.2168.1-178.9-1.2000109.2N59 T60 G79 V82N59-N77 VanDerWaalsContact CA-O 3.28Å; N59-N77 WeakPolarHBondContact CA-O 3.43Å; N59-N77 WeakPolarHBondContact CB-O 3.37Å; T60-N77 PolarHBondContact N-O 2.87Å; T60-N77 PolarHBondContact O-N 2.68Å; N77-G79 PolarHBondContact OD1-N 3.11Å; N77-V82 HydrophobicContact CB-CG2 4.11Å
78K90.8Very high94.8Very high72 Ų7237 Ų3731%0.31319%0.193SC..EExtended strand (participates in β ladder)trans-118.554.4179-164.1178.5175.5-177.40110.5N59 R80 W81 E637N59-K78 WeakPolarHBondContact OD1-CA 3.44Å; K78-R80 PolarHBondContact O-N 2.7Å; K78-W81 CarbonylContact C-O 3.56Å; K78-W81 PolarHBondContact N-O 3.39Å; K78-E637 IonicContact NZ-OE2 2.67Å; K78-E637 PolarHBondContact NZ-OE2 3.49Å
79G87.5Confident94.9Very high47 Ų4742.3 Ų42.349%0.48522%0.216SC..THydrogen-bonded Turntrans71.3-80.2171.300000114.6N77 T101N77-G79 PolarHBondContact OD1-N 3.11Å; G79-T101 WeakPolarHBondContact O-CG2 3.39Å; G79-T101 PolarHBondContact O-OG1 2.9Å
80R86.3Confident94.9Very high147 Ų14738.8 Ų38.856%0.55520%0.201SC*.THydrogen-bonded Turntrans-82.9-14.3179.5-71.5-176179.7-151.2-1.8113.6K78 S100 T101 E172K78-R80 PolarHBondContact O-N 2.7Å; R80-S100 WeakPolarHBondContact O-CA 3.5Å; R80-S100 PolarHBondContact O-OG 3.18Å; R80-T101 VanDerWaalsContact C-OG1 3.22Å; R80-T101 VanDerWaalsContact CA-OG1 3.28Å; R80-T101 WeakPolarHBondContact CA-OG1 3.16Å; R80-T101 PolarHBondContact O-N 3.26Å; R80-T101 PolarHBondContact O-OG1 3.1Å; R80-E172 WeakPolarHBondContact CD-OE1 3.47Å; R80-E172 WeakPolarHBondContact CD-OE2 3Å; R80-E172 IonicContact CZ-OE1 2.79Å; R80-E172 IonicContact NE-OE1 3.94Å; R80-E172 IonicContact NH1-OE1 3.89Å; R80-E172 PolarHBondContact NH1-OE1 2.93Å
81W89.3Confident94.6Very high37 Ų3741.5 Ų41.514%0.1421%0.213CC..EExtended strand (participates in β ladder)trans-142.3142.2-171.4-51.598.8000111.4K78 R98 E99 S100 L167 E172K78-W81 CarbonylContact C-O 3.56Å; K78-W81 PolarHBondContact N-O 3.39Å; W81-R98 HydrophobicContact CB-CG 4.4Å; W81-E99 CarbonylContact C-O 3.56Å; W81-E99 VanDerWaalsContact CA-O 3.3Å; W81-E99 WeakPolarHBondContact CA-O 3.18Å; W81-S100 WeakPolarHBondContact CH2-OG 3.45Å; W81-S100 VanDerWaalsContact CZ3-CA 3.48Å; W81-S100 VanDerWaalsContact CZ3-OG 3.25Å; W81-S100 WeakPolarHBondContact CZ3-OG 3.38Å; W81-L167 HydrophobicContact CD2-CD2 3.68Å; W81-L167 HydrophobicContact CE3-CD1 4.1Å; W81-L167 HydrophobicContact CE3-CD2 3.24Å; W81-L167 HydrophobicContact CE3-CG 3.72Å; W81-L167 HydrophobicContact CG-CD2 4.46Å; W81-L167 HydrophobicContact CH2-CD2 3.95Å; W81-L167 HydrophobicContact CH2-CG 3.92Å; W81-L167 HydrophobicContact CZ2-CD2 4.31Å; W81-L167 HydrophobicContact CZ3-CD1 3.88Å; W81-L167 HydrophobicContact CZ3-CD2 3.39Å; W81-L167 HydrophobicContact CZ3-CG 3.34Å; W81-E172 PolarHBondContact NE1-OE2 2.69Å
82V96.4Very high94.4Very high14 Ų1439 Ų399%0.08520%0.201CC..EExtended strand (participates in β ladder)trans-118.4134.4173.3171.30000108.8V75 E76 N77 K84 R98 E99 T101V75-V82 HydrophobicContact CG1-CG1 3.72Å; E76-V82 CarbonylContact O-C 3.51Å; E76-V82 VanDerWaalsContact O-CA 3.26Å; E76-V82 WeakPolarHBondContact O-CA 3.38Å; N77-V82 HydrophobicContact CB-CG2 4.11Å; V82-K84 HydrophobicContact CG1-CG 4.05Å; V82-R98 CarbonylContact O-C 3.58Å; V82-R98 VanDerWaalsContact O-CA 3.28Å; V82-R98 WeakPolarHBondContact O-CA 3.19Å; V82-R98 WeakPolarHBondContact O-CG 3.2Å; V82-E99 HydrophobicContact CB-CG 3.89Å; V82-E99 HydrophobicContact CG1-CG 4.43Å; V82-E99 PolarHBondContact N-O 2.83Å; V82-E99 PolarHBondContact O-N 3Å; V82-T101 HydrophobicContact CG2-CG2 3.72Å
83Y97.6Very high94.2Very high2 Ų237.8 Ų37.81%0.00819%0.188CC..EExtended strand (participates in β ladder)trans-108.4137.3168.9175.7-89.1000110.1V75 E76 E86 W87 K92 Y95 V97 R98 W111V75-Y83 CarbonylContact C-O 3.54Å; V75-Y83 VanDerWaalsContact CA-O 3.26Å; V75-Y83 WeakPolarHBondContact CA-O 3.17Å; E76-Y83 PolarHBondContact N-O 3.2Å; E76-Y83 PolarHBondContact O-N 3.04Å; Y83-E86 PolarHBondContact OH-O 3.21Å; Y83-W87 AromaticContact CD1-CE2 3.7Å; Y83-W87 HydrophobicContact CD1-CH2 4.4Å; Y83-W87 AromaticContact CD1-CZ2 3.43Å; Y83-W87 HydrophobicContact CD1-CZ2 3.43Å; Y83-W87 VanDerWaalsContact CD1-CZ2 3.43Å; Y83-W87 AromaticContact CD1-NE1 3.69Å; Y83-W87 AromaticContact CE1-CE2 3.7Å; Y83-W87 AromaticContact CE1-CZ2 3.87Å; Y83-W87 HydrophobicContact CE1-CZ2 3.87Å; Y83-W87 AromaticContact CE1-NE1 3.53Å; Y83-W87 HydrophobicContact CG-CZ2 4.34Å; Y83-K92 HydrophobicContact CD2-CD 3.88Å; Y83-K92 HydrophobicContact CE1-CB 4.4Å; Y83-K92 HydrophobicContact CE2-CB 4.16Å; Y83-K92 HydrophobicContact CE2-CD 3.93Å; Y83-K92 HydrophobicContact CE2-CG 4.33Å; Y83-K92 HydrophobicContact CG-CD 4.32Å; Y83-Y95 PolarHBondContact OH-O 3.45Å; Y83-V97 CarbonylContact C-O 3.6Å; Y83-V97 WeakPolarHBondContact CA-O 3.49Å; Y83-V97 WeakPolarHBondContact CD2-O 3.41Å; Y83-R98 HydrophobicContact CD2-CB 4.34Å; Y83-W111 HydrophobicContact CD2-CH2 4.17Å; Y83-W111 AromaticContact CD2-CZ2 3.84Å; Y83-W111 HydrophobicContact CD2-CZ2 3.84Å; Y83-W111 HydrophobicContact CE2-CD2 4.07Å; Y83-W111 AromaticContact CE2-CE2 3.59Å; Y83-W111 HydrophobicContact CE2-CG 4.47Å; Y83-W111 HydrophobicContact CE2-CH2 4.32Å; Y83-W111 AromaticContact CE2-CZ2 3.71Å; Y83-W111 HydrophobicContact CE2-CZ2 3.71Å; Y83-W111 AromaticContact CE2-NE1 3.77Å
84K98.4Very high94.1Very high45 Ų4543.8 Ų43.820%0.19621%0.208CC..EExtended strand (participates in β ladder)trans-131.3118.5177.9-59.3169.8-179.6163.80108.1V75 V82 G96 V97 E99 A398 V402V75-K84 HydrophobicContact CG1-CG 4.07Å; V75-K84 HydrophobicContact CG2-CB 4.37Å; V75-K84 HydrophobicContact CG2-CG 4Å; V82-K84 HydrophobicContact CG1-CG 4.05Å; K84-G96 CarbonylContact O-C 3.56Å; K84-G96 VanDerWaalsContact O-CA 3.3Å; K84-G96 WeakPolarHBondContact O-CA 3.31Å; K84-V97 PolarHBondContact N-O 3.42Å; K84-V97 PolarHBondContact O-N 3.32Å; K84-E99 WeakPolarHBondContact CE-OE1 3.44Å; K84-E99 WeakPolarHBondContact CE-OE2 3.37Å; K84-E99 IonicContact NZ-OE1 3.05Å; K84-E99 PolarHBondContact NZ-OE1 2.91Å; K84-E99 IonicContact NZ-OE2 3.49Å; K84-E99 PolarHBondContact NZ-OE2 3.28Å; K84-A398 HydrophobicContact CB-CB 3.58Å; K84-A398 HydrophobicContact CD-CB 4.5Å; K84-A398 WeakPolarHBondContact O-CB 3.34Å; K84-V402 HydrophobicContact CD-CG2 3.9Å; K84-V402 HydrophobicContact CG-CG2 4.38Å
85G98.1Very high94.1Very high0 Ų044.9 Ų44.90%021%0.212CC..EExtended strand (participates in β ladder)trans163.9-151.1177.100000115L73 G74 A401L73-G85 WeakPolarHBondContact CA-O 3.35Å; G74-G85 PolarHBondContact N-O 3.07Å; G74-G85 PolarHBondContact O-N 2.84Å; G85-A401 VanDerWaalsContact N-CB 3.34Å
86E97.8Very high94.1Very high33 Ų3344.4 Ų44.415%0.15421%0.209CC..EExtended strand (participates in β ladder)trans-75.8152.6179-63.2179.6152.100111.9G72 L73 Y83 G93 R94 Y95 K397G72-E86 CarbonylContact O-C 3.49Å; G72-E86 VanDerWaalsContact O-CA 3.26Å; G72-E86 WeakPolarHBondContact O-CA 3.38Å; L73-E86 HydrophobicContact CD2-CG 4.12Å; Y83-E86 PolarHBondContact OH-O 3.21Å; E86-G93 WeakPolarHBondContact O-CA 3.37Å; E86-G93 PolarHBondContact O-N 3.34Å; E86-R94 PolarHBondContact OE2-N 3.49Å; E86-Y95 PolarHBondContact N-O 3.45Å; E86-Y95 WeakPolarHBondContact OE2-CD2 3.27Å; E86-Y95 PolarHBondContact OE2-N 2.74Å; E86-K397 HydrophobicContact CG-CB 4.49Å; E86-K397 HydrophobicContact CG-CD 3.92Å; E86-K397 HydrophobicContact CG-CG 4.38Å; E86-K397 WeakPolarHBondContact OE1-CD 3.16Å; E86-K397 WeakPolarHBondContact OE1-CE 3.32Å; E86-K397 IonicContact OE1-NZ 3.12Å; E86-K397 PolarHBondContact OE1-NZ 2.88Å
87W96.3Very high94.2Very high2 Ų243.8 Ų43.81%0.00821%0.207CC..EExtended strand (participates in β ladder)trans-135.7145174.9-71.184.4000110.6Y61 R70 H71 G72 G74 E76 Y83 G90 F91 K92Y61-W87 HydrophobicContact CD2-CZ2 4.17Å; Y61-W87 AromaticContact CE2-CD1 3.78Å; Y61-W87 AromaticContact CE2-CD2 3.76Å; Y61-W87 HydrophobicContact CE2-CD2 3.76Å; Y61-W87 AromaticContact CE2-CE2 3.58Å; Y61-W87 HydrophobicContact CE2-CE3 4.43Å; Y61-W87 AromaticContact CE2-CG 3.9Å; Y61-W87 HydrophobicContact CE2-CG 3.9Å; Y61-W87 HydrophobicContact CE2-CZ2 4.11Å; Y61-W87 AromaticContact CE2-NE1 3.59Å; R70-W87 HydrophobicContact CB-CB 4.47Å; R70-W87 HydrophobicContact CB-CD2 4.26Å; R70-W87 HydrophobicContact CB-CE3 3.85Å; R70-W87 VanDerWaalsContact CZ-CZ3 3.47Å; H71-W87 CarbonylContact C-O 3.45Å; G72-W87 PolarHBondContact N-O 3.26Å; G72-W87 PolarHBondContact O-N 2.87Å; G74-W87 PolarHBondContact O-NE1 3.1Å; E76-W87 HydrophobicContact CB-CH2 3.96Å; E76-W87 HydrophobicContact CB-CZ2 3.61Å; E76-W87 HydrophobicContact CG-CH2 4.46Å; Y83-W87 AromaticContact CD1-CE2 3.7Å; Y83-W87 HydrophobicContact CD1-CH2 4.4Å; Y83-W87 AromaticContact CD1-CZ2 3.43Å; Y83-W87 HydrophobicContact CD1-CZ2 3.43Å; Y83-W87 VanDerWaalsContact CD1-CZ2 3.43Å; Y83-W87 AromaticContact CD1-NE1 3.69Å; Y83-W87 AromaticContact CE1-CE2 3.7Å; Y83-W87 AromaticContact CE1-CZ2 3.87Å; Y83-W87 HydrophobicContact CE1-CZ2 3.87Å; Y83-W87 AromaticContact CE1-NE1 3.53Å; Y83-W87 HydrophobicContact CG-CZ2 4.34Å; W87-G90 WeakPolarHBondContact CZ3-O 3.47Å; W87-F91 WeakPolarHBondContact CA-O 3.45Å; W87-K92 HydrophobicContact CH2-CG 4.2Å; W87-K92 HydrophobicContact CZ3-CG 4.28Å
88T93.9Very high94.2Very high64 Ų6441.9 Ų41.939%0.39320%0.195SC..EExtended strand (participates in β ladder)trans-150.5112.1-175-61.30000109.9G90 F91T88-G90 VanDerWaalsContact C-N 3.29Å; T88-G90 PolarHBondContact O-N 3.29Å; T88-F91 PolarHBondContact N-O 2.86Å; T88-F91 PolarHBondContact O-N 2.92Å
89H90.8Very high94.4Very high117 Ų11741.4 Ų41.454%0.54219%0.194SC..THydrogen-bonded Turntrans51.541.8179.1-53.5108.2000114.2F91H89-F91 VanDerWaalsContact C-N 3.33Å; H89-F91 WeakPolarHBondContact O-CD2 3.15Å; H89-F91 PolarHBondContact O-N 2.91Å
90G91.4Very high94.4Very high1 Ų140 Ų401%0.0118%0.177CC..THydrogen-bonded Turntrans90.9-21-178.300000114.7R70 W87 T88 N642R70-G90 PolarHBondContact NE-O 3Å; R70-G90 PolarHBondContact NH2-O 3.36Å; R70-G90 PolarHBondContact O-N 3.16Å; W87-G90 WeakPolarHBondContact CZ3-O 3.47Å; T88-G90 VanDerWaalsContact C-N 3.29Å; T88-G90 PolarHBondContact O-N 3.29Å; G90-N642 PolarHBondContact O-ND2 3.22Å; G90-N642 PolarHBondContact O-OD1 3.38Å
91F90.5Very high94.6Very high65 Ų6536.9 Ų36.929%0.28517%0.174SC..EExtended strand (participates in β ladder)trans-94.5158.8-178.2-62-83.1000112.7W87 T88 H89 G93 E638W87-F91 WeakPolarHBondContact CA-O 3.45Å; T88-F91 PolarHBondContact N-O 2.86Å; T88-F91 PolarHBondContact O-N 2.92Å; H89-F91 VanDerWaalsContact C-N 3.33Å; H89-F91 WeakPolarHBondContact O-CD2 3.15Å; H89-F91 PolarHBondContact O-N 2.91Å; F91-G93 PolarHBondContact O-N 2.87Å; F91-E638 WeakPolarHBondContact CD1-OE2 3.35Å; F91-E638 HydrophobicContact CE1-CB 4.18Å
92K92.4Very high94.3Very high11 Ų1138.2 Ų38.25%0.04820%0.2CC..EExtended strand (participates in β ladder)trans-58122.3169.9-50.3-173.4-166.983.20109.3Y83 W87 W111 G114 E634 E638Y83-K92 HydrophobicContact CD2-CD 3.88Å; Y83-K92 HydrophobicContact CE1-CB 4.4Å; Y83-K92 HydrophobicContact CE2-CB 4.16Å; Y83-K92 HydrophobicContact CE2-CD 3.93Å; Y83-K92 HydrophobicContact CE2-CG 4.33Å; Y83-K92 HydrophobicContact CG-CD 4.32Å; W87-K92 HydrophobicContact CH2-CG 4.2Å; W87-K92 HydrophobicContact CZ3-CG 4.28Å; K92-W111 HydrophobicContact CD-CD2 4.49Å; K92-W111 HydrophobicContact CD-CE3 3.84Å; K92-W111 HydrophobicContact CD-CH2 4.37Å; K92-W111 HydrophobicContact CD-CZ3 3.78Å; K92-G114 PolarHBondContact NZ-O 3.03Å; K92-E634 IonicContact NZ-OE1 3.22Å; K92-E638 IonicContact NZ-OE1 3.49Å; K92-E638 PolarHBondContact NZ-OE1 3.11Å
93G93.2Very high93.8Very high3 Ų340 Ų403%0.03121%0.211CC..EExtended strand (participates in β ladder)trans-75.6179.2-178.700000112.7E86 F91 Y95 W111E86-G93 WeakPolarHBondContact O-CA 3.37Å; E86-G93 PolarHBondContact O-N 3.34Å; F91-G93 PolarHBondContact O-N 2.87Å; G93-Y95 VanDerWaalsContact C-N 3.28Å; G93-Y95 PolarHBondContact O-N 3.24Å; G93-Y95 VanDerWaalsContact O-N 3.14Å; G93-W111 WeakPolarHBondContact O-CB 3.4Å
94R96.4Very high93.1Very high172 Ų17243.1 Ų43.165%0.64923%0.233SC*.EExtended strand (participates in β ladder)trans-56.5-37.4-166.4-177.9179.3-69.4166.80.3113.6E86 T110 W111E86-R94 PolarHBondContact OE2-N 3.49Å; R94-T110 HydrophobicContact CG-CG2 4.38Å; R94-T110 CarbonylContact O-C 3.36Å; R94-T110 VanDerWaalsContact O-CA 3.22Å; R94-T110 WeakPolarHBondContact O-CA 3.49Å; R94-W111 PolarHBondContact O-N 2.89Å
95Y98.4Very high92.6Very high24 Ų2441.1 Ų41.19%0.09423%0.225CC..EExtended strand (participates in β ladder)trans-122.2135-178.3-66.4-81.8000113.1Y83 E86 G93 T110 R390 H393 A394Y83-Y95 PolarHBondContact OH-O 3.45Å; E86-Y95 PolarHBondContact N-O 3.45Å; E86-Y95 WeakPolarHBondContact OE2-CD2 3.27Å; E86-Y95 PolarHBondContact OE2-N 2.74Å; G93-Y95 VanDerWaalsContact C-N 3.28Å; G93-Y95 PolarHBondContact O-N 3.24Å; G93-Y95 VanDerWaalsContact O-N 3.14Å; Y95-T110 HydrophobicContact CD1-CG2 3.58Å; Y95-T110 HydrophobicContact CE1-CG2 3.33Å; Y95-T110 HydrophobicContact CG-CG2 4.41Å; Y95-R390 PolarHBondContact OH-NH1 3.32Å; Y95-H393 HydrophobicContact CD1-CB 4.4Å; Y95-H393 AromaticContact CD1-ND1 3.17Å; Y95-H393 WeakPolarHBondContact CD1-ND1 3.36Å; Y95-H393 AromaticContact CD2-CE1 3.3Å; Y95-H393 WeakPolarHBondContact CD2-CE1 3.42Å; Y95-H393 AromaticContact CD2-ND1 3.31Å; Y95-H393 VanDerWaalsContact CD2-ND1 3.31Å; Y95-H393 WeakPolarHBondContact CD2-ND1 3.22Å; Y95-H393 HydrophobicContact CE1-CB 4.24Å; Y95-H393 AromaticContact CE1-CG 4Å; Y95-H393 AromaticContact CE1-ND1 3.27Å; Y95-H393 VanDerWaalsContact CE1-ND1 3.27Å; Y95-H393 WeakPolarHBondContact CE1-ND1 3.27Å; Y95-H393 AromaticContact CE2-CE1 3.35Å; Y95-H393 WeakPolarHBondContact CE2-CE1 3.41Å; Y95-H393 AromaticContact CE2-ND1 3.4Å; Y95-H393 WeakPolarHBondContact CE2-ND1 3Å; Y95-H393 AromaticContact CG-CE1 3.66Å; Y95-H393 AromaticContact CG-ND1 3.18Å; Y95-H393 AromaticContact CZ-CE1 3.77Å; Y95-H393 AromaticContact CZ-ND1 3.38Å; Y95-A394 HydrophobicContact CD1-CB 4.49Å
96G97.6Very high92.4Very high0 Ų044.2 Ų44.20%024%0.238CC..EExtended strand (participates in β ladder)trans-178.9170.8171.100000114K84 G109 W111K84-G96 CarbonylContact O-C 3.56Å; K84-G96 VanDerWaalsContact O-CA 3.3Å; K84-G96 WeakPolarHBondContact O-CA 3.31Å; G96-G109 PolarHBondContact N-O 3.41Å; G96-G109 PolarHBondContact O-N 3.17Å; G96-W111 PolarHBondContact O-NE1 2.89Å
97V98.4Very high92.4Very high8 Ų842.7 Ų42.75%0.04823%0.231CC..EExtended strand (participates in β ladder)trans-111.3138.6176.9175.40000108.8Y83 K84 Y107 E108 A394 Q395 A398Y83-V97 CarbonylContact C-O 3.6Å; Y83-V97 WeakPolarHBondContact CA-O 3.49Å; Y83-V97 WeakPolarHBondContact CD2-O 3.41Å; K84-V97 PolarHBondContact N-O 3.42Å; K84-V97 PolarHBondContact O-N 3.32Å; V97-Y107 CarbonylContact C-O 3.48Å; V97-Y107 WeakPolarHBondContact CA-O 3.42Å; V97-E108 HydrophobicContact CB-CG 4.43Å; V97-E108 HydrophobicContact CG1-CG 3.89Å; V97-E108 HydrophobicContact CG2-CB 4.19Å; V97-E108 HydrophobicContact CG2-CG 3.9Å; V97-A394 HydrophobicContact CG2-CB 4.47Å; V97-Q395 HydrophobicContact CG2-CG 4.39Å; V97-A398 HydrophobicContact CB-CB 3.92Å; V97-A398 HydrophobicContact CG2-CB 3.69Å
98R96.6Very high92.5Very high16 Ų1643.2 Ų43.26%0.0623%0.234CC..EExtended strand (participates in β ladder)trans-119.6128.3164.3-174.7169.166.1-1602109.7W81 V82 Y83 K106 Y107 W111 L167 S169W81-R98 HydrophobicContact CB-CG 4.4Å; V82-R98 CarbonylContact O-C 3.58Å; V82-R98 VanDerWaalsContact O-CA 3.28Å; V82-R98 WeakPolarHBondContact O-CA 3.19Å; V82-R98 WeakPolarHBondContact O-CG 3.2Å; Y83-R98 HydrophobicContact CD2-CB 4.34Å; R98-K106 CarbonylContact O-C 3.57Å; R98-K106 VanDerWaalsContact O-CA 3.24Å; R98-K106 WeakPolarHBondContact O-CA 3.41Å; R98-Y107 PolarHBondContact N-O 3.08Å; R98-Y107 PolarHBondContact O-N 3.41Å; R98-W111 HydrophobicContact CB-CH2 3.68Å; R98-W111 HydrophobicContact CB-CZ2 3.76Å; R98-L167 HydrophobicContact CG-CD1 4.43Å; R98-L167 HydrophobicContact CG-CD2 4.19Å; R98-L167 PolarHBondContact NH2-O 2.66Å; R98-L167 WeakPolarHBondContact O-CD1 3.35Å; R98-S169 PolarHBondContact NH1-OG 2.87Å; R98-S169 VanDerWaalsContact NH1-OG 3.08Å; R98-S169 PolarHBondContact NH2-OG 2.9Å
99E94.3Very high92.6Very high61 Ų6140.2 Ų40.229%0.28522%0.215SC..EExtended strand (participates in β ladder)trans-124.3154.3-177.265.1-167.9-149.900110.8W81 V82 K84 K106W81-E99 CarbonylContact C-O 3.56Å; W81-E99 VanDerWaalsContact CA-O 3.3Å; W81-E99 WeakPolarHBondContact CA-O 3.18Å; V82-E99 HydrophobicContact CB-CG 3.89Å; V82-E99 HydrophobicContact CG1-CG 4.43Å; V82-E99 PolarHBondContact N-O 2.83Å; V82-E99 PolarHBondContact O-N 3Å; K84-E99 WeakPolarHBondContact CE-OE1 3.44Å; K84-E99 WeakPolarHBondContact CE-OE2 3.37Å; K84-E99 IonicContact NZ-OE1 3.05Å; K84-E99 PolarHBondContact NZ-OE1 2.91Å; K84-E99 IonicContact NZ-OE2 3.49Å; K84-E99 PolarHBondContact NZ-OE2 3.28Å; E99-K106 HydrophobicContact CB-CB 4.42Å
100S89.1Confident93Very high18 Ų1835.3 Ų35.313%0.12619%0.193CC..EExtended strand (participates in β ladder)trans-78.6145.6169.8-154.70000111.1R80 W81 G102 T103 G105R80-S100 WeakPolarHBondContact O-CA 3.5Å; R80-S100 PolarHBondContact O-OG 3.18Å; W81-S100 WeakPolarHBondContact CH2-OG 3.45Å; W81-S100 VanDerWaalsContact CZ3-CA 3.48Å; W81-S100 VanDerWaalsContact CZ3-OG 3.25Å; W81-S100 WeakPolarHBondContact CZ3-OG 3.38Å; S100-G102 PolarHBondContact OG-N 2.87Å; S100-T103 WeakPolarHBondContact CB-O 3.49Å; S100-T103 WeakPolarHBondContact CB-OG1 3.25Å; S100-T103 PolarHBondContact OG-N 3.38Å; S100-T103 PolarHBondContact OG-OG1 3.23Å; S100-G105 PolarHBondContact N-O 2.98Å
101T88.8Confident93.1Very high81 Ų8135.8 Ų35.850%0.49720%0.195SC..SBendtrans-83.2-15.5165.3580000112.4G79 R80 V82G79-T101 WeakPolarHBondContact O-CG2 3.39Å; G79-T101 PolarHBondContact O-OG1 2.9Å; R80-T101 VanDerWaalsContact C-OG1 3.22Å; R80-T101 VanDerWaalsContact CA-OG1 3.28Å; R80-T101 WeakPolarHBondContact CA-OG1 3.16Å; R80-T101 PolarHBondContact O-N 3.26Å; R80-T101 PolarHBondContact O-OG1 3.1Å; V82-T101 HydrophobicContact CG2-CG2 3.72Å
102G83.2Confident93.1Very high66 Ų6636.4 Ų36.468%0.6820%0.201SC*.SBendtrans-1273.5-173.700000116.5S100S100-G102 PolarHBondContact OG-N 2.87Å
103T86Confident92.7Very high50 Ų5040.7 Ų40.731%0.30723%0.225SC..SBendtrans-147.2173.5177.866.20000111.6S100 G105S100-T103 WeakPolarHBondContact CB-O 3.49Å; S100-T103 WeakPolarHBondContact CB-OG1 3.25Å; S100-T103 PolarHBondContact OG-N 3.38Å; S100-T103 PolarHBondContact OG-OG1 3.23Å; T103-G105 PolarHBondContact O-N 3.1Å; T103-G105 PolarHBondContact OG1-N 3.43Å
104S83Confident92.3Very high69 Ų6940.5 Ų40.548%0.48322%0.223SC..SBendtrans-73.3-1.8168.550.50000114.4K106 S125S104-K106 PolarHBondContact O-N 2.69Å; S104-S125 PolarHBondContact OG-O 2.87Å
105G87.8Confident91.9Very high2 Ų235 Ų352%0.02121%0.206CC..  trans-66.6121.4-175.200000112.6S100 T103 T123S100-G105 PolarHBondContact N-O 2.98Å; T103-G105 PolarHBondContact O-N 3.1Å; T103-G105 PolarHBondContact OG1-N 3.43Å; G105-T123 WeakPolarHBondContact CA-O 3.37Å
106K94.6Very high91.6Very high66 Ų6634 Ų3429%0.28720%0.203SC..EExtended strand (participates in β ladder)trans-141.9151.1175.960.7166.8-177.5158.10112.9R98 E99 S104 E108 E122 T123 L167R98-K106 CarbonylContact O-C 3.57Å; R98-K106 VanDerWaalsContact O-CA 3.24Å; R98-K106 WeakPolarHBondContact O-CA 3.41Å; E99-K106 HydrophobicContact CB-CB 4.42Å; S104-K106 PolarHBondContact O-N 2.69Å; K106-E108 HydrophobicContact CD-CG 4.15Å; K106-E108 WeakPolarHBondContact CE-OE2 3.42Å; K106-E108 IonicContact NZ-OE1 3.08Å; K106-E108 PolarHBondContact NZ-OE1 2.9Å; K106-E108 IonicContact NZ-OE2 2.67Å; K106-E108 PolarHBondContact NZ-OE2 2.98Å; K106-E122 CarbonylContact O-C 3.6Å; K106-E122 WeakPolarHBondContact O-CA 3.35Å; K106-T123 PolarHBondContact N-O 3.02Å; K106-T123 PolarHBondContact O-N 3.27Å; K106-L167 VanDerWaalsContact CA-CD1 3.47Å
107Y96.9Very high91.5Very high1 Ų136.2 Ų36.20%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-123133.6167.6174.1-90.6000109.8V97 R98 T110 W111 Q116 Y119 T121 E122 W134V97-Y107 CarbonylContact C-O 3.48Å; V97-Y107 WeakPolarHBondContact CA-O 3.42Å; R98-Y107 PolarHBondContact N-O 3.08Å; R98-Y107 PolarHBondContact O-N 3.41Å; Y107-T110 PolarHBondContact OH-N 3.42Å; Y107-T110 PolarHBondContact OH-O 3.14Å; Y107-W111 AromaticContact CD1-CE2 3.76Å; Y107-W111 HydrophobicContact CD1-CH2 4.16Å; Y107-W111 AromaticContact CD1-CZ2 3.48Å; Y107-W111 HydrophobicContact CD1-CZ2 3.48Å; Y107-W111 VanDerWaalsContact CD1-CZ2 3.48Å; Y107-W111 HydrophobicContact CE1-CD2 4.43Å; Y107-W111 AromaticContact CE1-CE2 3.77Å; Y107-W111 HydrophobicContact CE1-CZ2 4Å; Y107-W111 AromaticContact CE1-NE1 3.73Å; Y107-Q116 HydrophobicContact CD1-CG 3.6Å; Y107-Q116 HydrophobicContact CD2-CG 3.74Å; Y107-Q116 HydrophobicContact CE1-CB 4.27Å; Y107-Q116 HydrophobicContact CE1-CG 3.45Å; Y107-Q116 VanDerWaalsContact CE1-CG 3.45Å; Y107-Q116 HydrophobicContact CE2-CB 4.19Å; Y107-Q116 HydrophobicContact CE2-CG 3.59Å; Y107-Q116 HydrophobicContact CG-CG 3.75Å; Y107-Q116 VanDerWaalsContact CZ-CG 3.43Å; Y107-Y119 PolarHBondContact OH-O 2.97Å; Y107-T121 CarbonylContact C-O 3.55Å; Y107-T121 WeakPolarHBondContact CA-O 3.28Å; Y107-T121 WeakPolarHBondContact CD2-O 3.47Å; Y107-E122 HydrophobicContact CD2-CB 4.36Å; Y107-W134 HydrophobicContact CD2-CH2 4.3Å; Y107-W134 AromaticContact CD2-CZ2 3.94Å; Y107-W134 HydrophobicContact CD2-CZ2 3.94Å; Y107-W134 AromaticContact CE2-CD2 3.97Å; Y107-W134 HydrophobicContact CE2-CD2 3.97Å; Y107-W134 AromaticContact CE2-CE2 3.52Å; Y107-W134 HydrophobicContact CE2-CG 4.35Å; Y107-W134 HydrophobicContact CE2-CH2 4.38Å; Y107-W134 AromaticContact CE2-CZ2 3.74Å; Y107-W134 HydrophobicContact CE2-CZ2 3.74Å; Y107-W134 AromaticContact CE2-NE1 3.63Å
108E98.1Very high91.4Very high13 Ų1337.2 Ų37.26%0.06123%0.226CC..EExtended strand (participates in β ladder)trans-134116.7-176.3-57.5170.1118.100109.2V97 K106 G120 T121 T391 Q395V97-E108 HydrophobicContact CB-CG 4.43Å; V97-E108 HydrophobicContact CG1-CG 3.89Å; V97-E108 HydrophobicContact CG2-CB 4.19Å; V97-E108 HydrophobicContact CG2-CG 3.9Å; K106-E108 HydrophobicContact CD-CG 4.15Å; K106-E108 WeakPolarHBondContact CE-OE2 3.42Å; K106-E108 IonicContact NZ-OE1 3.08Å; K106-E108 PolarHBondContact NZ-OE1 2.9Å; K106-E108 IonicContact NZ-OE2 2.67Å; K106-E108 PolarHBondContact NZ-OE2 2.98Å; E108-G120 CarbonylContact O-C 3.54Å; E108-G120 VanDerWaalsContact O-CA 3.27Å; E108-G120 WeakPolarHBondContact O-CA 3.32Å; E108-T121 PolarHBondContact N-O 2.79Å; E108-T121 PolarHBondContact O-N 2.98Å; E108-T391 HydrophobicContact CB-CG2 3.72Å; E108-T391 PolarHBondContact O-OG1 3Å; E108-Q395 PolarHBondContact OE1-NE2 2.97Å
109G97.9Very high91.5Very high0 Ų038.7 Ų38.70%023%0.232CC..EExtended strand (participates in β ladder)trans159.6-137.6-179.300000115.1G96 A394G96-G109 PolarHBondContact N-O 3.41Å; G96-G109 PolarHBondContact O-N 3.17Å; G109-A394 WeakPolarHBondContact O-CB 3.33Å
110T97.8Very high91.7Very high14 Ų1435.8 Ų35.89%0.08622%0.218CC..EExtended strand (participates in β ladder)trans-106.8145.1-171.939.60000113.8R94 Y95 Y107 D117 Y119 R390R94-T110 HydrophobicContact CG-CG2 4.38Å; R94-T110 CarbonylContact O-C 3.36Å; R94-T110 VanDerWaalsContact O-CA 3.22Å; R94-T110 WeakPolarHBondContact O-CA 3.49Å; Y95-T110 HydrophobicContact CD1-CG2 3.58Å; Y95-T110 HydrophobicContact CE1-CG2 3.33Å; Y95-T110 HydrophobicContact CG-CG2 4.41Å; Y107-T110 PolarHBondContact OH-N 3.42Å; Y107-T110 PolarHBondContact OH-O 3.14Å; T110-D117 CarbonylContact C-O 3.5Å; T110-D117 VanDerWaalsContact C-O 3.31Å; T110-D117 WeakPolarHBondContact CB-O 3.47Å; T110-D117 PolarHBondContact O-N 2.84Å; T110-D117 VanDerWaalsContact O-N 3.11Å; T110-D117 VanDerWaalsContact O-O 3.13Å; T110-D117 PolarHBondContact OG1-O 2.88Å; T110-D117 VanDerWaalsContact OG1-O 3.11Å; T110-Y119 PolarHBondContact N-O 3.39Å; T110-Y119 PolarHBondContact OG1-N 3.45Å; T110-Y119 PolarHBondContact OG1-O 3.38Å; T110-R390 HydrophobicContact CG2-CB 4.5Å
111W95.1Very high92.1Very high11 Ų1135.3 Ų35.34%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-133153.5-172.5-55.476.1000111.5Y83 K92 G93 R94 G96 R98 Y107 G114 L115 Q116Y83-W111 HydrophobicContact CD2-CH2 4.17Å; Y83-W111 AromaticContact CD2-CZ2 3.84Å; Y83-W111 HydrophobicContact CD2-CZ2 3.84Å; Y83-W111 HydrophobicContact CE2-CD2 4.07Å; Y83-W111 AromaticContact CE2-CE2 3.59Å; Y83-W111 HydrophobicContact CE2-CG 4.47Å; Y83-W111 HydrophobicContact CE2-CH2 4.32Å; Y83-W111 AromaticContact CE2-CZ2 3.71Å; Y83-W111 HydrophobicContact CE2-CZ2 3.71Å; Y83-W111 AromaticContact CE2-NE1 3.77Å; K92-W111 HydrophobicContact CD-CD2 4.49Å; K92-W111 HydrophobicContact CD-CE3 3.84Å; K92-W111 HydrophobicContact CD-CH2 4.37Å; K92-W111 HydrophobicContact CD-CZ3 3.78Å; G93-W111 WeakPolarHBondContact O-CB 3.4Å; R94-W111 PolarHBondContact O-N 2.89Å; G96-W111 PolarHBondContact O-NE1 2.89Å; R98-W111 HydrophobicContact CB-CH2 3.68Å; R98-W111 HydrophobicContact CB-CZ2 3.76Å; Y107-W111 AromaticContact CD1-CE2 3.76Å; Y107-W111 HydrophobicContact CD1-CH2 4.16Å; Y107-W111 AromaticContact CD1-CZ2 3.48Å; Y107-W111 HydrophobicContact CD1-CZ2 3.48Å; Y107-W111 VanDerWaalsContact CD1-CZ2 3.48Å; Y107-W111 HydrophobicContact CE1-CD2 4.43Å; Y107-W111 AromaticContact CE1-CE2 3.77Å; Y107-W111 HydrophobicContact CE1-CZ2 4Å; Y107-W111 AromaticContact CE1-NE1 3.73Å; W111-G114 WeakPolarHBondContact CZ3-O 3.36Å; W111-L115 CarbonylContact C-O 3.59Å; W111-L115 WeakPolarHBondContact CA-O 3.34Å; W111-Q116 VanDerWaalsContact CH2-NE2 3.32Å; W111-Q116 HydrophobicContact CZ3-CG 4.45Å
112N90.1Very high92.5Very high79 Ų7931.6 Ų31.642%0.42219%0.191SC..EExtended strand (participates in β ladder)trans-148.8126.1176.2-173.711.3000108.2G114 L115 D117N112-G114 VanDerWaalsContact C-N 3.32Å; N112-G114 PolarHBondContact O-N 3.29Å; N112-L115 PolarHBondContact N-O 3.35Å; N112-L115 PolarHBondContact O-N 2.8Å; N112-D117 HydrophobicContact CB-CB 3.45Å; N112-D117 VanDerWaalsContact CB-CB 3.45Å; N112-D117 PolarHBondContact ND2-OD1 3.4Å; N112-D117 VanDerWaalsContact ND2-OD1 3.11Å
113N84.2Confident93Very high100 Ų10029.5 Ų29.554%0.53517%0.166SC..THydrogen-bonded Turntrans44.952.6-179.5-59.1-28.6000113.5L115N113-L115 PolarHBondContact O-N 2.97Å
114G83.6Confident93Very high0 Ų027.7 Ų27.70%015%0.153CC..THydrogen-bonded Turntrans79.8-13.1177.200000116.6K92 W111 N112 E638K92-G114 PolarHBondContact NZ-O 3.03Å; W111-G114 WeakPolarHBondContact CZ3-O 3.36Å; N112-G114 VanDerWaalsContact C-N 3.32Å; N112-G114 PolarHBondContact O-N 3.29Å; G114-E638 WeakPolarHBondContact CA-OE1 3.24Å; G114-E638 WeakPolarHBondContact CA-OE2 3.43Å
115L88.2Confident93Very high56 Ų5625.9 Ų25.929%0.29314%0.141SC..EExtended strand (participates in β ladder)trans-110.2158.9-174.1-59.9178.9000112.7W111 N112 N113 D117 E634W111-L115 CarbonylContact C-O 3.59Å; W111-L115 WeakPolarHBondContact CA-O 3.34Å; N112-L115 PolarHBondContact N-O 3.35Å; N112-L115 PolarHBondContact O-N 2.8Å; N113-L115 PolarHBondContact O-N 2.97Å; L115-D117 PolarHBondContact O-N 2.83Å; L115-E634 WeakPolarHBondContact CD2-OE2 3.36Å
116Q92.1Very high92.5Very high4 Ų427.4 Ų27.42%0.01915%0.148CC..EExtended strand (participates in β ladder)trans-67.7126.8170.7-65.378.17.500110.8Y107 W111 W134 G136 G137 S169Y107-Q116 HydrophobicContact CD1-CG 3.6Å; Y107-Q116 HydrophobicContact CD2-CG 3.74Å; Y107-Q116 HydrophobicContact CE1-CB 4.27Å; Y107-Q116 HydrophobicContact CE1-CG 3.45Å; Y107-Q116 VanDerWaalsContact CE1-CG 3.45Å; Y107-Q116 HydrophobicContact CE2-CB 4.19Å; Y107-Q116 HydrophobicContact CE2-CG 3.59Å; Y107-Q116 HydrophobicContact CG-CG 3.75Å; Y107-Q116 VanDerWaalsContact CZ-CG 3.43Å; W111-Q116 VanDerWaalsContact CH2-NE2 3.32Å; W111-Q116 HydrophobicContact CZ3-CG 4.45Å; Q116-W134 HydrophobicContact CB-CB 4.23Å; Q116-W134 HydrophobicContact CB-CD2 4.08Å; Q116-W134 HydrophobicContact CB-CE3 3.8Å; Q116-W134 HydrophobicContact CB-CG 4.27Å; Q116-W134 HydrophobicContact CG-CE3 4.34Å; Q116-G136 PolarHBondContact O-N 3.17Å; Q116-G137 PolarHBondContact O-N 2.88Å; Q116-S169 PolarHBondContact OE1-OG 2.76Å
117D95.1Very high92.1Very high46 Ų4626 Ų2625%0.24615%0.153CC..EExtended strand (participates in β ladder)trans-156.2135.4-175.2-152.3-118.8000109.9T110 N112 L115 V135 G136T110-D117 CarbonylContact C-O 3.5Å; T110-D117 VanDerWaalsContact C-O 3.31Å; T110-D117 WeakPolarHBondContact CB-O 3.47Å; T110-D117 PolarHBondContact O-N 2.84Å; T110-D117 VanDerWaalsContact O-N 3.11Å; T110-D117 VanDerWaalsContact O-O 3.13Å; T110-D117 PolarHBondContact OG1-O 2.88Å; T110-D117 VanDerWaalsContact OG1-O 3.11Å; N112-D117 HydrophobicContact CB-CB 3.45Å; N112-D117 VanDerWaalsContact CB-CB 3.45Å; N112-D117 PolarHBondContact ND2-OD1 3.4Å; N112-D117 VanDerWaalsContact ND2-OD1 3.11Å; L115-D117 PolarHBondContact O-N 2.83Å; D117-V135 WeakPolarHBondContact OD2-CA 3.09Å; D117-G136 PolarHBondContact OD2-N 3.45Å
118G97.8Very high91.7Very high28 Ų2826 Ų2629%0.28915%0.154SC..EExtended strand (participates in β ladder)trans95.8-103.4-173.500000112.7Q133 W134G118-Q133 VanDerWaalsContact O-CA 3.31Å; G118-Q133 WeakPolarHBondContact O-CA 3.31Å; G118-W134 PolarHBondContact N-O 2.8Å; G118-W134 PolarHBondContact O-N 2.94Å
119Y98.6Very high91.6Very high48 Ų4826.5 Ų26.519%0.18816%0.157CC..EExtended strand (participates in β ladder)trans-141.5144.3-172.4-67.4-94.7000112.8Y107 T110 G132 Q133 K383 I386Y107-Y119 PolarHBondContact OH-O 2.97Å; T110-Y119 PolarHBondContact N-O 3.39Å; T110-Y119 PolarHBondContact OG1-N 3.45Å; T110-Y119 PolarHBondContact OG1-O 3.38Å; Y119-G132 WeakPolarHBondContact CA-O 3.5Å; Y119-Q133 HydrophobicContact CD1-CG 3.76Å; Y119-Q133 HydrophobicContact CE1-CG 3.36Å; Y119-K383 HydrophobicContact CE1-CB 4.18Å; Y119-K383 HydrophobicContact CE1-CD 4.01Å; Y119-K383 HydrophobicContact CE1-CG 4.34Å; Y119-K383 PolarHBondContact OH-NZ 2.85Å; Y119-I386 HydrophobicContact CD1-CB 4.07Å; Y119-I386 HydrophobicContact CD1-CG2 3.62Å; Y119-I386 HydrophobicContact CD2-CG2 4.06Å; Y119-I386 HydrophobicContact CE1-CB 4.02Å; Y119-I386 HydrophobicContact CE1-CD1 4.43Å; Y119-I386 HydrophobicContact CE1-CG2 3.68Å; Y119-I386 HydrophobicContact CE2-CG2 4.13Å; Y119-I386 HydrophobicContact CG-CG2 3.81Å
120G97.8Very high91.5Very high0 Ų026.5 Ų26.50%016%0.157CC..EExtended strand (participates in β ladder)trans172.1177.9174.100000114.2E108 G132 W134E108-G120 CarbonylContact O-C 3.54Å; E108-G120 VanDerWaalsContact O-CA 3.27Å; E108-G120 WeakPolarHBondContact O-CA 3.32Å; G120-G132 PolarHBondContact N-O 3.29Å; G120-G132 VanDerWaalsContact N-O 3.09Å; G120-G132 PolarHBondContact O-N 3.1Å; G120-W134 PolarHBondContact O-NE1 3.26Å
121T98.4Very high91.5Very high7 Ų727.3 Ų27.34%0.04316%0.16CC..EExtended strand (participates in β ladder)trans-108.3129.5-179.3-55.90000110.6Y107 E108 F130 Q131 T391Y107-T121 CarbonylContact C-O 3.55Å; Y107-T121 WeakPolarHBondContact CA-O 3.28Å; Y107-T121 WeakPolarHBondContact CD2-O 3.47Å; E108-T121 PolarHBondContact N-O 2.79Å; E108-T121 PolarHBondContact O-N 2.98Å; T121-F130 CarbonylContact C-O 3.51Å; T121-F130 VanDerWaalsContact CA-O 3.24Å; T121-F130 WeakPolarHBondContact CA-O 3.09Å; T121-Q131 HydrophobicContact CG2-CG 4.07Å; T121-T391 PolarHBondContact OG1-OG1 3.02Å
122E95.9Very high91.7Very high3 Ų326.8 Ų26.81%0.01416%0.158CC..EExtended strand (participates in β ladder)trans-104.1127.2161.4-175.5-178.6-169.600108.2K106 Y107 Y124 T129 F130 W134 S166 L167K106-E122 CarbonylContact O-C 3.6Å; K106-E122 WeakPolarHBondContact O-CA 3.35Å; Y107-E122 HydrophobicContact CD2-CB 4.36Å; E122-Y124 HydrophobicContact CB-CE1 4.49Å; E122-Y124 VanDerWaalsContact CD-CE1 3.45Å; E122-Y124 HydrophobicContact CG-CD1 3.94Å; E122-Y124 HydrophobicContact CG-CE1 3.98Å; E122-Y124 VanDerWaalsContact OE2-CE1 3.24Å; E122-Y124 WeakPolarHBondContact OE2-CE1 3.37Å; E122-T129 CarbonylContact O-C 3.53Å; E122-T129 VanDerWaalsContact O-CA 3.25Å; E122-T129 WeakPolarHBondContact O-CA 3.35Å; E122-F130 PolarHBondContact N-O 3.28Å; E122-F130 PolarHBondContact O-N 2.77Å; E122-W134 HydrophobicContact CB-CH2 3.84Å; E122-W134 HydrophobicContact CB-CZ2 3.75Å; E122-W134 WeakPolarHBondContact OE2-CH2 3.38Å; E122-S166 PolarHBondContact OE1-OG 2.93Å; E122-L167 PolarHBondContact OE1-N 3.13Å
123T93.8Very high92.1Very high23 Ų2325.2 Ų25.214%0.14115%0.148CC..EExtended strand (participates in β ladder)trans-98.2122158.4-52.30000107G105 K106 G128 T129G105-T123 WeakPolarHBondContact CA-O 3.37Å; K106-T123 PolarHBondContact N-O 3.02Å; K106-T123 PolarHBondContact O-N 3.27Å; T123-G128 CarbonylContact C-O 3.54Å; T123-G128 WeakPolarHBondContact CA-O 3.24Å; T123-T129 HydrophobicContact CG2-CG2 4.34Å
124Y86.6Confident92.7Very high11 Ų1120.7 Ų20.74%0.04312%0.124CC..  trans-78.2165.1178.1-41.3-75.4000110.9E122 D126 G127 G128 F130 R139E122-Y124 HydrophobicContact CB-CE1 4.49Å; E122-Y124 VanDerWaalsContact CD-CE1 3.45Å; E122-Y124 HydrophobicContact CG-CD1 3.94Å; E122-Y124 HydrophobicContact CG-CE1 3.98Å; E122-Y124 VanDerWaalsContact OE2-CE1 3.24Å; E122-Y124 WeakPolarHBondContact OE2-CE1 3.37Å; Y124-D126 PolarHBondContact O-N 2.85Å; Y124-G127 PolarHBondContact O-N 2.87Å; Y124-G128 WeakPolarHBondContact CD2-O 3.4Å; Y124-G128 PolarHBondContact N-O 2.89Å; Y124-F130 WeakPolarHBondContact OH-CB 3.48Å; Y124-R139 PolarHBondContact OH-NH1 3.07Å
125S82.1Confident93.2Very high32 Ų3224.3 Ų24.322%0.22415%0.145CC..THydrogen-bonded Turntrans-62.1-12.9174.8700000114.8S104 N165S104-S125 PolarHBondContact OG-O 2.87Å; S125-N165 PolarHBondContact OG-O 2.79Å
126D79.1Confident93.3Very high33 Ų3323.1 Ų23.118%0.17615%0.147CC..THydrogen-bonded Turntrans-85.4-14.8173.465.815.9000113.1Y124 G128 V148 I156Y124-D126 PolarHBondContact O-N 2.85Å; D126-G128 WeakPolarHBondContact OD1-CA 3.34Å; D126-G128 PolarHBondContact OD1-N 2.69Å; D126-V148 HydrophobicContact CB-CG2 4.27Å; D126-V148 WeakPolarHBondContact O-CG1 3.11Å; D126-I156 HydrophobicContact CB-CD1 3.65Å
127G84.9Confident93.2Very high37 Ų3723.4 Ų23.438%0.38115%0.151SC..SBendtrans100-8.5-175.400000114.8Y124 V148Y124-G127 PolarHBondContact O-N 2.87Å; G127-V148 VanDerWaalsContact C-CG1 3.44Å
128G89.3Confident93Very high2 Ų224.2 Ų24.22%0.02115%0.154CC..  trans-70.4166.7174.200000111.5T123 Y124 D126 Q146 V148T123-G128 CarbonylContact C-O 3.54Å; T123-G128 WeakPolarHBondContact CA-O 3.24Å; Y124-G128 WeakPolarHBondContact CD2-O 3.4Å; Y124-G128 PolarHBondContact N-O 2.89Å; D126-G128 WeakPolarHBondContact OD1-CA 3.34Å; D126-G128 PolarHBondContact OD1-N 2.69Å; G128-Q146 WeakPolarHBondContact CA-O 3.19Å; G128-V148 VanDerWaalsContact N-CG1 3.34Å
129T94.7Very high92.8Very high23 Ų2322.9 Ų22.914%0.14114%0.14CC..EExtended strand (participates in β ladder)trans-134.9158.3-175.163.70000113.8E122 T123 Q131 R145 Q146E122-T129 CarbonylContact O-C 3.53Å; E122-T129 VanDerWaalsContact O-CA 3.25Å; E122-T129 WeakPolarHBondContact O-CA 3.35Å; T123-T129 HydrophobicContact CG2-CG2 4.34Å; T129-Q131 VanDerWaalsContact CB-NE2 3.31Å; T129-Q131 PolarHBondContact OG1-NE2 3.01Å; T129-R145 VanDerWaalsContact O-CA 3.29Å; T129-R145 WeakPolarHBondContact O-CA 3.22Å; T129-R145 WeakPolarHBondContact O-CG 3.35Å; T129-Q146 PolarHBondContact N-O 3.27Å; T129-Q146 PolarHBondContact O-N 2.79Å
130F96.6Very high92.6Very high0 Ų023.4 Ų23.40%014%0.144CC..EExtended strand (participates in β ladder)trans-136.8134.3160.6163.4-86.6000110.2T121 E122 Y124 W134 R139 V144 R145 W295T121-F130 CarbonylContact C-O 3.51Å; T121-F130 VanDerWaalsContact CA-O 3.24Å; T121-F130 WeakPolarHBondContact CA-O 3.09Å; E122-F130 PolarHBondContact N-O 3.28Å; E122-F130 PolarHBondContact O-N 2.77Å; Y124-F130 WeakPolarHBondContact OH-CB 3.48Å; F130-W134 AromaticContact CD1-CE2 3.9Å; F130-W134 HydrophobicContact CD1-CH2 4.46Å; F130-W134 AromaticContact CD1-CZ2 3.58Å; F130-W134 HydrophobicContact CD1-CZ2 3.58Å; F130-W134 AromaticContact CD1-NE1 3.98Å; F130-W134 HydrophobicContact CE1-CD2 4.48Å; F130-W134 AromaticContact CE1-CE2 3.67Å; F130-W134 AromaticContact CE1-CZ2 3.82Å; F130-W134 HydrophobicContact CE1-CZ2 3.82Å; F130-W134 AromaticContact CE1-NE1 3.56Å; F130-R139 HydrophobicContact CD1-CG 3.85Å; F130-R139 HydrophobicContact CD2-CG 4.47Å; F130-R139 HydrophobicContact CE1-CB 4.03Å; F130-R139 HydrophobicContact CE1-CG 3.68Å; F130-R139 HydrophobicContact CE2-CB 4.18Å; F130-R139 HydrophobicContact CE2-CG 4.32Å; F130-R139 HydrophobicContact CG-CG 4.25Å; F130-R139 HydrophobicContact CZ-CB 3.8Å; F130-R139 HydrophobicContact CZ-CG 3.94Å; F130-V144 CarbonylContact C-O 3.53Å; F130-V144 WeakPolarHBondContact CA-O 3.29Å; F130-V144 WeakPolarHBondContact CD2-O 3.31Å; F130-R145 HydrophobicContact CB-CB 4.44Å; F130-R145 HydrophobicContact CD2-CB 4.34Å; F130-W295 HydrophobicContact CD2-CZ2 4Å; F130-W295 AromaticContact CE2-CD1 3.83Å; F130-W295 HydrophobicContact CE2-CD2 4.03Å; F130-W295 AromaticContact CE2-CE2 3.67Å; F130-W295 HydrophobicContact CE2-CG 4.1Å; F130-W295 HydrophobicContact CE2-CZ2 4.16Å; F130-W295 AromaticContact CE2-NE1 3.56Å
131Q98.5Very high92.7Very high30 Ų3024.3 Ų24.314%0.1415%0.154CC..EExtended strand (participates in β ladder)trans-123.3119.1176.5-58.178.87.300108.2T121 T129 G143 V144 A384 A387 L388T121-Q131 HydrophobicContact CG2-CG 4.07Å; T129-Q131 VanDerWaalsContact CB-NE2 3.31Å; T129-Q131 PolarHBondContact OG1-NE2 3.01Å; Q131-G143 CarbonylContact O-C 3.53Å; Q131-G143 WeakPolarHBondContact O-CA 3.04Å; Q131-V144 PolarHBondContact N-O 2.83Å; Q131-V144 PolarHBondContact O-N 2.81Å; Q131-A384 HydrophobicContact CB-CB 3.67Å; Q131-A387 HydrophobicContact CB-CB 4.38Å; Q131-L388 HydrophobicContact CG-CD2 4.24Å
132G98.1Very high92.7Very high0 Ų027.1 Ų27.10%016%0.164CC..EExtended strand (participates in β ladder)trans164.3-148.8178.100000114Y119 G120 W134Y119-G132 WeakPolarHBondContact CA-O 3.5Å; G120-G132 PolarHBondContact N-O 3.29Å; G120-G132 VanDerWaalsContact N-O 3.09Å; G120-G132 PolarHBondContact O-N 3.1Å; G132-W134 VanDerWaalsContact O-CD1 3.27Å
133Q98.5Very high92.8Very high47 Ų4727 Ų2722%0.2216%0.163CC..EExtended strand (participates in β ladder)trans-87.9148.5-174.1-73.3-178.6-84.700113.8G118 Y119 H140 Y142 K383G118-Q133 VanDerWaalsContact O-CA 3.31Å; G118-Q133 WeakPolarHBondContact O-CA 3.31Å; Y119-Q133 HydrophobicContact CD1-CG 3.76Å; Y119-Q133 HydrophobicContact CE1-CG 3.36Å; Q133-H140 CarbonylContact C-O 3.55Å; Q133-H140 VanDerWaalsContact C-O 3.29Å; Q133-H140 WeakPolarHBondContact CB-O 3.5Å; Q133-H140 PolarHBondContact O-N 3.13Å; Q133-H140 VanDerWaalsContact O-N 3.15Å; Q133-Y142 PolarHBondContact N-O 3.36Å; Q133-K383 HydrophobicContact CG-CB 4.46Å; Q133-K383 HydrophobicContact CG-CG 4.42Å
134W96.6Very high93Very high5 Ų526.7 Ų26.72%0.01916%0.161CC..EExtended strand (participates in β ladder)trans-134.5141.1-175.9-66.984.9000110.6Y107 Q116 G118 G120 E122 F130 G132 M138 R139Y107-W134 HydrophobicContact CD2-CH2 4.3Å; Y107-W134 AromaticContact CD2-CZ2 3.94Å; Y107-W134 HydrophobicContact CD2-CZ2 3.94Å; Y107-W134 AromaticContact CE2-CD2 3.97Å; Y107-W134 HydrophobicContact CE2-CD2 3.97Å; Y107-W134 AromaticContact CE2-CE2 3.52Å; Y107-W134 HydrophobicContact CE2-CG 4.35Å; Y107-W134 HydrophobicContact CE2-CH2 4.38Å; Y107-W134 AromaticContact CE2-CZ2 3.74Å; Y107-W134 HydrophobicContact CE2-CZ2 3.74Å; Y107-W134 AromaticContact CE2-NE1 3.63Å; Q116-W134 HydrophobicContact CB-CB 4.23Å; Q116-W134 HydrophobicContact CB-CD2 4.08Å; Q116-W134 HydrophobicContact CB-CE3 3.8Å; Q116-W134 HydrophobicContact CB-CG 4.27Å; Q116-W134 HydrophobicContact CG-CE3 4.34Å; G118-W134 PolarHBondContact N-O 2.8Å; G118-W134 PolarHBondContact O-N 2.94Å; G120-W134 PolarHBondContact O-NE1 3.26Å; E122-W134 HydrophobicContact CB-CH2 3.84Å; E122-W134 HydrophobicContact CB-CZ2 3.75Å; E122-W134 WeakPolarHBondContact OE2-CH2 3.38Å; F130-W134 AromaticContact CD1-CE2 3.9Å; F130-W134 HydrophobicContact CD1-CH2 4.46Å; F130-W134 AromaticContact CD1-CZ2 3.58Å; F130-W134 HydrophobicContact CD1-CZ2 3.58Å; F130-W134 AromaticContact CD1-NE1 3.98Å; F130-W134 HydrophobicContact CE1-CD2 4.48Å; F130-W134 AromaticContact CE1-CE2 3.67Å; F130-W134 AromaticContact CE1-CZ2 3.82Å; F130-W134 HydrophobicContact CE1-CZ2 3.82Å; F130-W134 AromaticContact CE1-NE1 3.56Å; G132-W134 VanDerWaalsContact O-CD1 3.27Å; W134-M138 WeakPolarHBondContact CA-O 3.17Å; W134-R139 HydrophobicContact CE3-CG 4.18Å; W134-R139 HydrophobicContact CH2-CG 3.6Å; W134-R139 HydrophobicContact CZ2-CG 3.96Å; W134-R139 HydrophobicContact CZ3-CG 3.71Å
135V95.7Very high93.5Very high75 Ų7526.7 Ų26.746%0.45516%0.161SC..EExtended strand (participates in β ladder)trans-139.6123.2169.2177.60000108.5D117 G137 M138 H140D117-V135 WeakPolarHBondContact OD2-CA 3.09Å; V135-G137 PolarHBondContact O-N 2.98Å; V135-M138 PolarHBondContact N-O 2.54Å; V135-M138 PolarHBondContact O-N 3.17Å; V135-M138 VanDerWaalsContact O-N 3.08Å; V135-H140 HydrophobicContact CB-CB 3.99Å; V135-H140 HydrophobicContact CG2-CB 3.89Å
136G89.4Confident94.1Very high31 Ų3129.6 Ų29.632%0.3217%0.172SC..THydrogen-bonded Turntrans52.244.5173.300000115.3Q116 D117 M138Q116-G136 PolarHBondContact O-N 3.17Å; D117-G136 PolarHBondContact OD2-N 3.45Å; G136-M138 VanDerWaalsContact C-N 3.32Å; G136-M138 PolarHBondContact O-N 3.11Å
137G89.4Confident94.5Very high10 Ų1028.6 Ų28.610%0.10317%0.167CC..THydrogen-bonded Turntrans77.211.8179.200000115.4Q116 V135 R195Q116-G137 PolarHBondContact O-N 2.88Å; V135-G137 PolarHBondContact O-N 2.98Å; G137-R195 PolarHBondContact O-NH2 3.29Å
138M90.5Very high94.6Very high64 Ų6427.5 Ų27.532%0.31515%0.153SC..EExtended strand (participates in β ladder)trans-129.3146179.6-67.1-177.5-100.700112W134 V135 G136 H140 N297 D298W134-M138 WeakPolarHBondContact CA-O 3.17Å; V135-M138 PolarHBondContact N-O 2.54Å; V135-M138 PolarHBondContact O-N 3.17Å; V135-M138 VanDerWaalsContact O-N 3.08Å; G136-M138 VanDerWaalsContact C-N 3.32Å; G136-M138 PolarHBondContact O-N 3.11Å; M138-H140 PolarHBondContact O-N 3.31Å; M138-N297 HydrophobicContact SD-CB 4.08Å; M138-D298 WeakPolarHBondContact CA-OD1 3.48Å
139R94.3Very high94.6Very high0 Ų029.1 Ų29.10%016%0.163CC..EExtended strand (participates in β ladder)trans-69.5128174.8-56.1170.5-60.5-171.110109Y124 F130 W134 F198 W295 N297 D298Y124-R139 PolarHBondContact OH-NH1 3.07Å; F130-R139 HydrophobicContact CD1-CG 3.85Å; F130-R139 HydrophobicContact CD2-CG 4.47Å; F130-R139 HydrophobicContact CE1-CB 4.03Å; F130-R139 HydrophobicContact CE1-CG 3.68Å; F130-R139 HydrophobicContact CE2-CB 4.18Å; F130-R139 HydrophobicContact CE2-CG 4.32Å; F130-R139 HydrophobicContact CG-CG 4.25Å; F130-R139 HydrophobicContact CZ-CB 3.8Å; F130-R139 HydrophobicContact CZ-CG 3.94Å; W134-R139 HydrophobicContact CE3-CG 4.18Å; W134-R139 HydrophobicContact CH2-CG 3.6Å; W134-R139 HydrophobicContact CZ2-CG 3.96Å; W134-R139 HydrophobicContact CZ3-CG 3.71Å; R139-F198 VanDerWaalsContact NH2-CZ 3.28Å; R139-W295 HydrophobicContact CB-CE3 4.44Å; R139-N297 PolarHBondContact O-N 3.33Å; R139-D298 PolarHBondContact N-OD1 2.84Å; R139-D298 IonicContact NE-OD1 3.5Å; R139-D298 PolarHBondContact NH2-O 2.96Å; R139-D298 PolarHBondContact O-N 2.91Å
140H95.5Very high94Very high58 Ų5829.2 Ų29.227%0.26916%0.161SC..EExtended strand (participates in β ladder)trans-151.2160.4-170.1-156.5107.8000109.7Q133 V135 M138 W295 N297Q133-H140 CarbonylContact C-O 3.55Å; Q133-H140 VanDerWaalsContact C-O 3.29Å; Q133-H140 WeakPolarHBondContact CB-O 3.5Å; Q133-H140 PolarHBondContact O-N 3.13Å; Q133-H140 VanDerWaalsContact O-N 3.15Å; V135-H140 HydrophobicContact CB-CB 3.99Å; V135-H140 HydrophobicContact CG2-CB 3.89Å; M138-H140 PolarHBondContact O-N 3.31Å; H140-W295 CarbonylContact C-O 3.52Å; H140-W295 WeakPolarHBondContact CA-O 3.05Å; H140-N297 PolarHBondContact ND1-OD1 3.34Å
141G98.3Very high93Very high20 Ų2030.3 Ų30.321%0.20617%0.172CC..EExtended strand (participates in β ladder)trans73.2-132.7177.700000110.9E294 W295G141-E294 CarbonylContact O-C 3.54Å; G141-E294 WeakPolarHBondContact O-CA 3.37Å; G141-W295 PolarHBondContact N-O 3.21Å; G141-W295 PolarHBondContact O-N 3.46Å
142Y98.8Very high92Very high65 Ų6534.5 Ų34.526%0.25519%0.193SC..EExtended strand (participates in β ladder)trans-109145.7178.5-61.2-98.9000111.8Q133 E294 A376 I379Q133-Y142 PolarHBondContact N-O 3.36Å; Y142-E294 HydrophobicContact CD1-CG 3.89Å; Y142-E294 HydrophobicContact CE1-CG 3.46Å; Y142-E294 VanDerWaalsContact CE1-CG 3.46Å; Y142-A376 HydrophobicContact CE1-CB 4.07Å; Y142-I379 HydrophobicContact CD1-CB 3.93Å; Y142-I379 HydrophobicContact CD1-CG2 3.65Å; Y142-I379 HydrophobicContact CD2-CG2 3.72Å; Y142-I379 HydrophobicContact CE1-CB 4.07Å; Y142-I379 HydrophobicContact CE1-CD1 4.23Å; Y142-I379 HydrophobicContact CE1-CG2 3.9Å; Y142-I379 HydrophobicContact CE2-CG2 3.99Å; Y142-I379 HydrophobicContact CG-CB 4.32Å; Y142-I379 HydrophobicContact CG-CG2 3.55Å
143G98.1Very high90.6Very high0 Ų035.7 Ų35.70%020%0.203CC..EExtended strand (participates in β ladder)trans-174.3158.9175.800000114.2Q131 G293 W295Q131-G143 CarbonylContact O-C 3.53Å; Q131-G143 WeakPolarHBondContact O-CA 3.04Å; G143-G293 PolarHBondContact N-O 2.89Å; G143-G293 VanDerWaalsContact N-O 3.13Å; G143-G293 PolarHBondContact O-N 2.82Å; G143-W295 PolarHBondContact O-NE1 3.36Å
144V98.4Very high88.8Confident17 Ų1735 Ų3510%0.10321%0.206CC..EExtended strand (participates in β ladder)trans-96.9140.5174.9179.70000108.8F130 Q131 T290 Y291 C292 A380 R381 A384F130-V144 CarbonylContact C-O 3.53Å; F130-V144 WeakPolarHBondContact CA-O 3.29Å; F130-V144 WeakPolarHBondContact CD2-O 3.31Å; Q131-V144 PolarHBondContact N-O 2.83Å; Q131-V144 PolarHBondContact O-N 2.81Å; V144-T290 HydrophobicContact CG1-CG2 4.13Å; V144-Y291 CarbonylContact C-O 3.54Å; V144-Y291 VanDerWaalsContact CA-O 3.31Å; V144-Y291 WeakPolarHBondContact CA-O 3.34Å; V144-C292 HydrophobicContact CG2-CB 4.36Å; V144-A380 HydrophobicContact CG2-CB 4.35Å; V144-R381 HydrophobicContact CG2-CG 4.22Å; V144-A384 HydrophobicContact CB-CB 4.17Å; V144-A384 HydrophobicContact CG2-CB 3.81Å
145R96.4Very high86.6Confident11 Ų1140.7 Ų40.74%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-125.2134.4165.4177.3-166.3160.9-993.7109.1T129 F130 S147 E289 T290 Y291 W295T129-R145 VanDerWaalsContact O-CA 3.29Å; T129-R145 WeakPolarHBondContact O-CA 3.22Å; T129-R145 WeakPolarHBondContact O-CG 3.35Å; F130-R145 HydrophobicContact CB-CB 4.44Å; F130-R145 HydrophobicContact CD2-CB 4.34Å; R145-S147 VanDerWaalsContact NH2-CB 3.29Å; R145-E289 IonicContact CZ-OE2 3.52Å; R145-E289 IonicContact NH1-OE2 3.81Å; R145-E289 PolarHBondContact NH1-OE2 3.05Å; R145-T290 CarbonylContact O-C 3.28Å; R145-T290 VanDerWaalsContact O-CA 3.31Å; R145-T290 WeakPolarHBondContact O-CA 3.29Å; R145-Y291 PolarHBondContact N-O 2.93Å; R145-Y291 PolarHBondContact O-N 2.86Å; R145-W295 HydrophobicContact CB-CH2 4.07Å; R145-W295 HydrophobicContact CB-CZ2 3.7Å
146Q94.1Very high84.4Confident94 Ų9439.6 Ų39.644%0.43923%0.232SC..EExtended strand (participates in β ladder)trans-112.9138.6166.5-172.9177.1200109.9G128 T129 E289G128-Q146 WeakPolarHBondContact CA-O 3.19Å; T129-Q146 PolarHBondContact N-O 3.27Å; T129-Q146 PolarHBondContact O-N 2.79Å; Q146-E289 CarbonylContact C-O 3.52Å
147S89Confident82.1Confident11 Ų1143.4 Ų43.48%0.07724%0.236CC..PPolyproline II helixtrans-91.8160.1171.581.70000112.4R145 E289R145-S147 VanDerWaalsContact NH2-CB 3.29Å; S147-E289 PolarHBondContact N-O 3.43Å; S147-E289 PolarHBondContact OG-N 2.76Å
148V87.4Confident79.2Confident15 Ų1545.6 Ų45.69%0.09125%0.25CS..PPolyproline II helixtrans-66.4164.9155.2-67.20000111.8D126 G127 G128 M152 A153D126-V148 HydrophobicContact CB-CG2 4.27Å; D126-V148 WeakPolarHBondContact O-CG1 3.11Å; G127-V148 VanDerWaalsContact C-CG1 3.44Å; G128-V148 VanDerWaalsContact N-CG1 3.34Å; V148-M152 HydrophobicContact CB-CB 4.33Å; V148-M152 HydrophobicContact CB-SD 4.49Å; V148-M152 HydrophobicContact CG2-CB 4.07Å; V148-A153 HydrophobicContact CG2-CB 4.21Å
149P88.3Confident76.6Confident36 Ų3648.5 Ų48.523%0.23427%0.274CS..PPolyproline II helixtrans-50.6147.7172-32.939.1000114.4G151 M152 A153 A285 A287 T288P149-G151 VanDerWaalsContact C-N 3.31Å; P149-G151 PolarHBondContact O-N 2.99Å; P149-M152 HydrophobicContact CB-CG 4.47Å; P149-M152 HydrophobicContact CG-SD 4.31Å; P149-M152 WeakPolarHBondContact O-CB 3.41Å; P149-M152 PolarHBondContact O-N 2.92Å; P149-M152 VanDerWaalsContact O-N 3.1Å; P149-A153 PolarHBondContact O-N 3.15Å; P149-A285 VanDerWaalsContact CB-O 3.28Å; P149-A285 WeakPolarHBondContact CB-O 3.24Å; P149-A287 CarbonylContact C-O 3.54Å; P149-A287 WeakPolarHBondContact CA-O 3.25Å; P149-T288 HydrophobicContact CG-CG2 4.02Å
150Y82.4Confident73.6Confident25 Ų2556.6 Ų56.610%0.09832%0.316CS..Hα-helixtrans-58.7-40-173.8-171.4-114.3000112.8M152 A153 A154 R157 V199 D280 V283 A285 A287Y150-M152 VanDerWaalsContact C-N 3.34Å; Y150-M152 PolarHBondContact O-N 3.44Å; Y150-A153 CarbonylContact O-C 3.54Å; Y150-A153 PolarHBondContact O-N 3.27Å; Y150-A154 WeakPolarHBondContact O-CB 3.23Å; Y150-A154 PolarHBondContact O-N 3.45Å; Y150-R157 VanDerWaalsContact CE2-NH2 3.3Å; Y150-R157 PolarHBondContact OH-NH1 3.47Å; Y150-R157 PolarHBondContact OH-NH2 2.93Å; Y150-V199 HydrophobicContact CD2-CG1 4.14Å; Y150-V199 HydrophobicContact CD2-CG2 4.09Å; Y150-V199 HydrophobicContact CE2-CB 4.38Å; Y150-V199 HydrophobicContact CE2-CG1 3.87Å; Y150-V199 HydrophobicContact CE2-CG2 3.98Å; Y150-D280 PolarHBondContact OH-OD1 3Å; Y150-V283 HydrophobicContact CD1-CB 3.64Å; Y150-V283 HydrophobicContact CD1-CG1 3.59Å; Y150-V283 WeakPolarHBondContact CD1-O 3.43Å; Y150-V283 HydrophobicContact CD2-CG1 3.99Å; Y150-V283 HydrophobicContact CE1-CB 3.73Å; Y150-V283 HydrophobicContact CE1-CG1 4.11Å; Y150-V283 HydrophobicContact CE1-CG2 4.41Å; Y150-V283 HydrophobicContact CE2-CG1 4.45Å; Y150-V283 HydrophobicContact CG-CB 4.1Å; Y150-V283 HydrophobicContact CG-CG1 3.52Å; Y150-A285 PolarHBondContact N-O 3.08Å; Y150-A287 PolarHBondContact N-O 2.72Å
151G76.1Confident70.6Confident22 Ų2263.8 Ų63.823%0.22734%0.341CS..Hα-helixtrans-60.2-42.4176.900000112.5P149 A154 V155 A285P149-G151 VanDerWaalsContact C-N 3.31Å; P149-G151 PolarHBondContact O-N 2.99Å; G151-A154 PolarHBondContact O-N 2.75Å; G151-V155 WeakPolarHBondContact O-CG2 3.32Å; G151-V155 PolarHBondContact O-N 3.02Å; G151-A285 PolarHBondContact N-O 2.86Å
152M77.1Confident67.3Low118 Ų11865.7 Ų65.758%0.58135%0.349SS*.Hα-helixtrans-65.2-43.9174.5-63.4-178.4176.400111.2V148 P149 Y150 A154 I156V148-M152 HydrophobicContact CB-CB 4.33Å; V148-M152 HydrophobicContact CB-SD 4.49Å; V148-M152 HydrophobicContact CG2-CB 4.07Å; P149-M152 HydrophobicContact CB-CG 4.47Å; P149-M152 HydrophobicContact CG-SD 4.31Å; P149-M152 WeakPolarHBondContact O-CB 3.41Å; P149-M152 PolarHBondContact O-N 2.92Å; P149-M152 VanDerWaalsContact O-N 3.1Å; Y150-M152 VanDerWaalsContact C-N 3.34Å; Y150-M152 PolarHBondContact O-N 3.44Å; M152-A154 VanDerWaalsContact C-N 3.29Å; M152-A154 PolarHBondContact O-N 3.22Å; M152-I156 WeakPolarHBondContact O-CD1 3.3Å; M152-I156 WeakPolarHBondContact O-CG1 3.48Å; M152-I156 PolarHBondContact O-N 3.4Å
153A68.3Low64.1Low25 Ų2564 Ų6421%0.20735%0.347CS..Hα-helixtrans-66.6-28.1176.400000113.4V148 P149 Y150 R157V148-A153 HydrophobicContact CG2-CB 4.21Å; P149-A153 PolarHBondContact O-N 3.15Å; Y150-A153 CarbonylContact O-C 3.54Å; Y150-A153 PolarHBondContact O-N 3.27Å; A153-R157 WeakPolarHBondContact O-CG 3.36Å
154A59.9Low61.1Low34 Ų3470.7 Ų70.728%0.28138%0.38SS..Hα-helixtrans-82.6-39.4-178.900000112.4Y150 G151 M152 I156 R157Y150-A154 WeakPolarHBondContact O-CB 3.23Å; Y150-A154 PolarHBondContact O-N 3.45Å; G151-A154 PolarHBondContact O-N 2.75Å; M152-A154 VanDerWaalsContact C-N 3.29Å; M152-A154 PolarHBondContact O-N 3.22Å; A154-I156 PolarHBondContact O-N 2.89Å; A154-R157 WeakPolarHBondContact O-CA 3.45Å; A154-R157 VanDerWaalsContact O-CB 3.22Å; A154-R157 WeakPolarHBondContact O-CB 3.49Å; A154-R157 PolarHBondContact O-N 3.39Å
155V51.5Low58.6Low124 Ų12472.2 Ų72.275%0.75239%0.388SS*.Hα-helixtrans-60.5-29.9173.1169.80000111.6G151 R157G151-V155 WeakPolarHBondContact O-CG2 3.32Å; G151-V155 PolarHBondContact O-N 3.02Å; V155-R157 PolarHBondContact O-N 3.35Å
156I50.1Low56.1Low52 Ų5272.3 Ų72.327%0.26739%0.39SS..THydrogen-bonded Turntrans-71.7-11.9173.5-64.4167.9000112.5D126 M152 A154 S158 R161 T162D126-I156 HydrophobicContact CB-CD1 3.65Å; M152-I156 WeakPolarHBondContact O-CD1 3.3Å; M152-I156 WeakPolarHBondContact O-CG1 3.48Å; M152-I156 PolarHBondContact O-N 3.4Å; A154-I156 PolarHBondContact O-N 2.89Å; I156-S158 VanDerWaalsContact C-N 3.26Å; I156-S158 PolarHBondContact O-N 3.24Å; I156-R161 CarbonylContact O-C 3.5Å; I156-T162 WeakPolarHBondContact O-CA 2.73Å; I156-T162 PolarHBondContact O-N 3.41Å
157R40.5Very low53.7Low111 Ų11168.1 Ų68.142%0.41937%0.371SS..THydrogen-bonded Turntrans-81.812.4178.1-59.2177.9179.9168.6-1.8115.1Y150 A153 A154 V155Y150-R157 VanDerWaalsContact CE2-NH2 3.3Å; Y150-R157 PolarHBondContact OH-NH1 3.47Å; Y150-R157 PolarHBondContact OH-NH2 2.93Å; A153-R157 WeakPolarHBondContact O-CG 3.36Å; A154-R157 WeakPolarHBondContact O-CA 3.45Å; A154-R157 VanDerWaalsContact O-CB 3.22Å; A154-R157 WeakPolarHBondContact O-CB 3.49Å; A154-R157 PolarHBondContact O-N 3.39Å; V155-R157 PolarHBondContact O-N 3.35Å
158S29Very low51.6Low56 Ų5672 Ų7239%0.39238%0.384SS..  trans-50.6130165.1175.50000109.6I156 L160 R161 T162I156-S158 VanDerWaalsContact C-N 3.26Å; I156-S158 PolarHBondContact O-N 3.24Å; S158-L160 PolarHBondContact O-N 3.5Å; S158-R161 PolarHBondContact O-N 3.46Å; S158-T162 PolarHBondContact O-N 3.38Å
159P35.4Very low49.6Very low125 Ų12572.3 Ų72.381%0.81239%0.387SS*.THydrogen-bonded Turntrans-57.5-14.9-179.3-27.735.8000114.7
160L30.2Very low47.1Very low169 Ų16972.6 Ų72.689%0.88540%0.396SS*.THydrogen-bonded Turntrans-97.9-2.7177.9-59.7175.1000113.6S158S158-L160 PolarHBondContact O-N 3.5Å
161R34.3Very low44.9Very low209 Ų20973.7 Ų73.779%0.78941%0.408SS*.THydrogen-bonded Turntrans-148.418.4-171.2-139-179.2-175.7-172.61.2117.5I156 S158 S163I156-R161 CarbonylContact O-C 3.5Å; S158-R161 PolarHBondContact O-N 3.46Å; R161-S163 PolarHBondContact O-N 2.95Å
162T27Very low43Very low61 Ų6175.7 Ų75.737%0.37441%0.411SS..SBendtrans-55.4124.5170.954.20000110.5I156 S158 I164I156-T162 WeakPolarHBondContact O-CA 2.73Å; I156-T162 PolarHBondContact O-N 3.41Å; S158-T162 PolarHBondContact O-N 3.38Å; T162-I164 PolarHBondContact O-N 3.43Å
163S32.9Very low40.9Very low30 Ų3076.8 Ų76.821%0.2141%0.414CS..  trans-57.6115.2-158.746.10000115.5R161R161-S163 PolarHBondContact O-N 2.95Å
164I34.5Very low39.1Very low139 Ų13980.6 Ų80.671%0.71344%0.44SS*.  trans-74.5-30.3171.2-67.8173.1000110.9T162 S166T162-I164 PolarHBondContact O-N 3.43Å; I164-S166 VanDerWaalsContact C-N 3.35Å; I164-S166 PolarHBondContact O-N 2.78Å
165N45.8Very low37.6Very low49 Ų4986.9 Ų86.926%0.26247%0.468SS..  trans-85.857.8-162.3-60.448.7000114.4S125S125-N165 PolarHBondContact OG-O 2.79Å
166S44.5Very low36.6Very low13 Ų1384.5 Ų84.59%0.09147%0.469CS..SBendtrans-83.8148.9152.5172.80000109E122 I164 R168 R195E122-S166 PolarHBondContact OE1-OG 2.93Å; I164-S166 VanDerWaalsContact C-N 3.35Å; I164-S166 PolarHBondContact O-N 2.78Å; S166-R168 PolarHBondContact O-N 2.88Å; S166-R195 WeakPolarHBondContact OG-CD 3.14Å; S166-R195 PolarHBondContact OG-NH1 2.96Å
167L43.1Very low35.4Very low6 Ų688.1 Ų88.13%0.03149%0.494CS..  trans-80.652.5-168.4-124.6-174.8000113.1W81 R98 K106 E122 S169W81-L167 HydrophobicContact CD2-CD2 3.68Å; W81-L167 HydrophobicContact CE3-CD1 4.1Å; W81-L167 HydrophobicContact CE3-CD2 3.24Å; W81-L167 HydrophobicContact CE3-CG 3.72Å; W81-L167 HydrophobicContact CG-CD2 4.46Å; W81-L167 HydrophobicContact CH2-CD2 3.95Å; W81-L167 HydrophobicContact CH2-CG 3.92Å; W81-L167 HydrophobicContact CZ2-CD2 4.31Å; W81-L167 HydrophobicContact CZ3-CD1 3.88Å; W81-L167 HydrophobicContact CZ3-CD2 3.39Å; W81-L167 HydrophobicContact CZ3-CG 3.34Å; R98-L167 HydrophobicContact CG-CD1 4.43Å; R98-L167 HydrophobicContact CG-CD2 4.19Å; R98-L167 PolarHBondContact NH2-O 2.66Å; R98-L167 WeakPolarHBondContact O-CD1 3.35Å; K106-L167 VanDerWaalsContact CA-CD1 3.47Å; E122-L167 PolarHBondContact OE1-N 3.13Å; L167-S169 PolarHBondContact O-N 3.38Å
168R45.8Very low35Very low93 Ų9387.5 Ų87.535%0.35151%0.513SS..  trans-67.2130.5172-75.9-172.5-179.1-77.6-5109.8S166 S171 R195 D298S166-R168 PolarHBondContact O-N 2.88Å; R168-S171 WeakPolarHBondContact CB-OG 3.22Å; R168-R195 VanDerWaalsContact CZ-CZ 3.49Å; R168-R195 VanDerWaalsContact NH2-NE 3.17Å; R168-D298 IonicContact CZ-OD2 2.63Å; R168-D298 IonicContact NH1-OD2 2.68Å; R168-D298 IonicContact NH2-OD2 3.81Å; R168-D298 PolarHBondContact NH2-OD2 3.28Å
169S44.2Very low34.7Very low22 Ų2292.4 Ų92.415%0.15453%0.534CS..THydrogen-bonded Turntrans-63-43.3175.7-46.60000110.9R98 Q116 L167 S171 E634R98-S169 PolarHBondContact NH1-OG 2.87Å; R98-S169 VanDerWaalsContact NH1-OG 3.08Å; R98-S169 PolarHBondContact NH2-OG 2.9Å; Q116-S169 PolarHBondContact OE1-OG 2.76Å; L167-S169 PolarHBondContact O-N 3.38Å; S169-S171 PolarHBondContact O-N 2.68Å; S169-E634 WeakPolarHBondContact CA-OE2 3.45Å; S169-E634 WeakPolarHBondContact CB-OE1 3.37Å; S169-E634 WeakPolarHBondContact CB-OE2 3.32Å
170G36.1Very low34.6Very low41 Ų4194.5 Ų94.542%0.42354%0.537SS..THydrogen-bonded Turntrans-95.449.517600000116.4E634G170-E634 PolarHBondContact N-OE2 3.35Å; G170-E634 VanDerWaalsContact N-OE2 3.16Å
171S36.5Very low34.2Very low49 Ų4994.1 Ų94.134%0.34354%0.536SS..  trans-152.290.316566.10000114.9R168 S169R168-S171 WeakPolarHBondContact CB-OG 3.22Å; S169-S171 PolarHBondContact O-N 2.68Å
172E36Very low33.8Very low64 Ų6494.4 Ų94.430%0.29954%0.537SS..  trans-173.2104.5143.4-105.4162.7163.400109.3R80 W81R80-E172 WeakPolarHBondContact CD-OE1 3.47Å; R80-E172 WeakPolarHBondContact CD-OE2 3Å; R80-E172 IonicContact CZ-OE1 2.79Å; R80-E172 IonicContact NE-OE1 3.94Å; R80-E172 IonicContact NH1-OE1 3.89Å; R80-E172 PolarHBondContact NH1-OE1 2.93Å; W81-E172 PolarHBondContact NE1-OE2 2.69Å
173H32.5Very low33.7Very low140 Ų14097 Ų9765%0.64855%0.553SS**  trans-125101171.1-88.648.4000109E637H173-E637 IonicContact CE1-OE1 3.78Å; H173-E637 PolarHBondContact CE1-OE1 2.89Å; H173-E637 IonicContact CE1-OE2 3.07Å; H173-E637 PolarHBondContact CE1-OE2 2.79Å; H173-E637 IonicContact NE2-OE1 2.66Å
174S30.6Very low33.4Very low106 Ų106102.6 Ų102.674%0.74159%0.586SS**  trans-162.795.1167.8-172.20000108.6
175N29.9Very low33.1Very low165 Ų16599.9 Ų99.988%0.88259%0.592SS**  trans-65.2139.8158.1-73.1-11.2000107.3T177N175-T177 PolarHBondContact O-N 2.98Å
176G29.5Very low32.2Very low75 Ų75103.4 Ų103.477%0.77362%0.621SS**  trans-67.4127.7-16600000114.1
177T25.3Very low31.6Very low127 Ų127108.7 Ų108.778%0.77966%0.658SS**  trans-143.3121.4149.5-54.80000107.4N175 L179N175-T177 PolarHBondContact O-N 2.98Å; T177-L179 HydrophobicContact CG2-CG 4.46Å
178A30.7Very low30.7Very low99 Ų99111.6 Ų111.682%0.81869%0.689SS**  trans-94.9118.9172.800000108.8
179L23.8Very low29.7Very low159 Ų159112.9 Ų112.983%0.83271%0.712SS**  trans-136.2141.8164-76.9177.8000108.7T177T177-L179 HydrophobicContact CG2-CG 4.46Å
180L33.1Very low28.7Very low168 Ų168117.1 Ų117.188%0.8874%0.742SS**  trans-73147.3162.5-68.980.4000108.1
181D22.6Very low28.3Very low162 Ų162120.7 Ų120.787%0.86676%0.758SS**  trans-140.2152139.5-157.1-4.4000109.6
182R25.5Very low27.8Very low214 Ų214122.2 Ų122.281%0.80877%0.773SS**  trans-134.7129.2-172.8-157.1179.481.7-171.46.5109.7
183T25.2Very low27.4Very low116 Ų116125.1 Ų125.171%0.71280%0.795SS**  trans76.8109.6178.177.30000116.2
184T27Very low27.3Very low148 Ų148120.9 Ų120.991%0.90878%0.781SS**  -172.8144.5107.126.40000108.8
185G28.3Very low28.2Very low81 Ų81116.8 Ų116.884%0.83575%0.75SS**  trans-96.2134.7-172.500000113.2
186S25.6Very low28.6Very low123 Ų123110.2 Ų110.286%0.8672%0.721SS**  trans-152150.5156-166.50000111.3
187S32.3Very low29.7Very low124 Ų124109.4 Ų109.487%0.86771%0.712SS**  trans-76.1128.7-170.954.50000113.1
188G25.2Very low31.3Very low67 Ų67104 Ų10469%0.69168%0.678SS**  trans-173.936.117900000115.7S190G188-S190 VanDerWaalsContact C-N 3.33Å; G188-S190 PolarHBondContact O-N 2.84Å
189S23.9Very low33Very low120 Ų120100.8 Ų100.884%0.83965%0.648SS**  trans-6879.4-173.349.20000114P191S189-P191 WeakPolarHBondContact O-CD 3.31Å
190S23.2Very low35Very low111 Ų11193.5 Ų93.578%0.77661%0.61SS**  trans-68.2117.9163.4-68.10000109.3G188 A192G188-S190 VanDerWaalsContact C-N 3.33Å; G188-S190 PolarHBondContact O-N 2.84Å; S190-A192 PolarHBondContact O-N 2.84Å; S190-A192 VanDerWaalsContact O-N 3.15Å
191P27.9Very low36.8Very low117 Ų11788.3 Ų88.376%0.7659%0.585SS**  trans-70.4114.4178.228-33.2000109.7S189 V193S189-P191 WeakPolarHBondContact O-CD 3.31Å; P191-V193 PolarHBondContact O-N 2.86Å
192A24.7Very low38.7Very low80 Ų8081.1 Ų81.166%0.66155%0.548SS*.  trans-55.9133.2167.600000108.9S190 S194S190-A192 PolarHBondContact O-N 2.84Å; S190-A192 VanDerWaalsContact O-N 3.15Å; A192-S194 VanDerWaalsContact C-N 3.27Å; A192-S194 PolarHBondContact O-N 3.22Å; A192-S194 PolarHBondContact O-OG 2.8Å
193V29.4Very low40.3Very low125 Ų12575.4 Ų75.476%0.75853%0.531SS*.  trans-80.479-173.7-175.30000109.7P191 R195P191-V193 PolarHBondContact O-N 2.86Å; V193-R195 PolarHBondContact O-N 2.93Å; V193-R195 VanDerWaalsContact O-N 3.08Å
194S30.1Very low41.7Very low51 Ų5170.4 Ų70.436%0.35750%0.5SS..  trans-54.2110.8176.4-51.90000110.6A192 G196A192-S194 VanDerWaalsContact C-N 3.27Å; A192-S194 PolarHBondContact O-N 3.22Å; A192-S194 PolarHBondContact O-OG 2.8Å; S194-G196 WeakPolarHBondContact CB-O 3.32Å; S194-G196 PolarHBondContact O-N 3.4Å
195R48.8Very low42.8Very low21 Ų2170.7 Ų70.78%0.07949%0.491CS..SBendtrans-72.6-9.2170.8-89.4-177.2172.6179-3.4111.7G137 S166 R168 V193 F198 D298G137-R195 PolarHBondContact O-NH2 3.29Å; S166-R195 WeakPolarHBondContact OG-CD 3.14Å; S166-R195 PolarHBondContact OG-NH1 2.96Å; R168-R195 VanDerWaalsContact CZ-CZ 3.49Å; R168-R195 VanDerWaalsContact NH2-NE 3.17Å; V193-R195 PolarHBondContact O-N 2.93Å; V193-R195 VanDerWaalsContact O-N 3.08Å; R195-F198 WeakPolarHBondContact O-CE2 3.44Å; R195-D298 IonicContact CZ-OD1 3.18Å; R195-D298 IonicContact CZ-OD2 2.74Å; R195-D298 VanDerWaalsContact CZ-OD2 3.28Å; R195-D298 IonicContact NE-OD1 2.68Å; R195-D298 IonicContact NE-OD2 2.63Å; R195-D298 PolarHBondContact NE-OD2 3.27Å; R195-D298 VanDerWaalsContact NE-OD2 3.1Å; R195-D298 IonicContact NH2-OD1 2.7Å; R195-D298 PolarHBondContact NH2-OD1 3.06Å; R195-D298 IonicContact NH2-OD2 2.83Å; R195-D298 PolarHBondContact NH2-OD2 3.23Å
196G39.1Very low43.6Very low27 Ų2768.7 Ų68.728%0.27847%0.467SS..SBendtrans-101.7112.4163.100000110.9S194S194-G196 WeakPolarHBondContact CB-O 3.32Å; S194-G196 PolarHBondContact O-N 3.4Å
197G52.4Low44.7Very low58 Ų5865.1 Ų65.160%0.59844%0.437SS*.  trans155.140.3-177.200000115.7
198F59.4Low45.6Very low12 Ų1262.4 Ų62.45%0.05341%0.412CS..  trans-96-4.1-175.3-64.5-66000115.2R139 R195 L200 R300 N321R139-F198 VanDerWaalsContact NH2-CZ 3.28Å; R195-F198 WeakPolarHBondContact O-CE2 3.44Å; F198-L200 PolarHBondContact O-N 2.92Å; F198-R300 PolarHBondContact O-NH1 2.86Å; F198-R300 PolarHBondContact O-NH2 3.11Å; F198-N321 HydrophobicContact CD1-CB 4.25Å; F198-N321 HydrophobicContact CE1-CB 4.39Å; F198-N321 WeakPolarHBondContact CE1-OD1 3.4Å
199V64.4Low46.6Very low32 Ų3265.7 Ų65.719%0.19441%0.413CS..  trans-45.5121.4-166.5-1770000113.3Y150 T201Y150-V199 HydrophobicContact CD2-CG1 4.14Å; Y150-V199 HydrophobicContact CD2-CG2 4.09Å; Y150-V199 HydrophobicContact CE2-CB 4.38Å; Y150-V199 HydrophobicContact CE2-CG1 3.87Å; Y150-V199 HydrophobicContact CE2-CG2 3.98Å; V199-T201 PolarHBondContact O-N 3.2Å; V199-T201 VanDerWaalsContact O-N 3.11Å
200L66.5Low47.7Very low7 Ų765.8 Ų65.84%0.03740%0.398CS..  trans-61.4106.4165.8-175.368.3000110F198 E289 R308 L312 W318F198-L200 PolarHBondContact O-N 2.92Å; L200-E289 PolarHBondContact N-OE1 3.19Å; L200-R308 PolarHBondContact O-NH1 3.18Å; L200-L312 HydrophobicContact CB-CD2 4.49Å; L200-L312 HydrophobicContact CD2-CD2 3.97Å; L200-L312 HydrophobicContact CD2-CG 3.85Å; L200-L312 HydrophobicContact CG-CD2 3.84Å; L200-L312 HydrophobicContact CG-CG 4.26Å; L200-L312 WeakPolarHBondContact O-CD2 3.27Å; L200-W318 HydrophobicContact CD1-CH2 4.4Å
201T70.9Confident48.7Very low58 Ų5863.4 Ų63.436%0.35639%0.392SS..  trans-77.7146167.363.70000109.6V199 H203 R323V199-T201 PolarHBondContact O-N 3.2Å; V199-T201 VanDerWaalsContact O-N 3.11Å; T201-H203 WeakPolarHBondContact CB-O 3.34Å; T201-H203 PolarHBondContact OG1-O 2.68Å; T201-R323 PolarHBondContact O-NH2 2.84Å
202A62.4Low49.4Very low11 Ų1165.3 Ų65.39%0.09139%0.388CS..SBendtrans-68.1-55.6174.100000108.8D281 L312 R323 F331A202-D281 WeakPolarHBondContact CB-OD2 3.25Å; A202-D281 PolarHBondContact N-OD2 2.87Å; A202-L312 HydrophobicContact CB-CD1 4.08Å; A202-L312 HydrophobicContact CB-CD2 3.99Å; A202-R323 PolarHBondContact O-NH2 2.83Å; A202-F331 HydrophobicContact CB-CD1 4.15Å; A202-F331 HydrophobicContact CB-CE1 3.96Å
203H59.3Low50.2Low94 Ų9472 Ų7244%0.43540%0.396SS..SBendtrans-92.4163.3-178.3-61.1-43.9000113.5T201 D281T201-H203 WeakPolarHBondContact CB-O 3.34Å; T201-H203 PolarHBondContact OG1-O 2.68Å; H203-D281 IonicContact CD2-OD1 3.71Å; H203-D281 PolarHBondContact CD2-OD1 2.93Å; H203-D281 IonicContact CG-OD1 3.05Å
204S55.1Low50.7Low11 Ų1176 Ų768%0.07740%0.404CS..  trans-92.6144.4169.173.60000109.6A206 E207S204-A206 PolarHBondContact O-N 3.11Å; S204-E207 PolarHBondContact O-N 3.29Å
205E49.1Very low50.8Low154 Ų15477.3 Ų77.372%0.7243%0.425SS*.Hα-helixtrans-44.4-36.1177.2-167.4176.6-179.900113.7E207 L208 L209E205-E207 VanDerWaalsContact C-N 3.29Å; E205-E207 PolarHBondContact O-N 2.86Å; E205-L208 PolarHBondContact O-N 3.49Å; E205-L209 PolarHBondContact O-N 3.35Å
206A45.2Very low50Low39 Ų3979.8 Ų79.832%0.32246%0.457SS..Hα-helixtrans-72.9-7.5177.500000115.7S204 K210 I345S204-A206 PolarHBondContact O-N 3.11Å; A206-K210 WeakPolarHBondContact O-CE 3.33Å; A206-K210 WeakPolarHBondContact O-CG 3.43Å; A206-I345 HydrophobicContact CB-CD1 4.22Å
207E49.7Very low49.7Very low48 Ų4885.8 Ų85.822%0.22448%0.482CS..Hα-helixtrans-94.3-38.4169.4-62.5-62.3166.400111.4S204 E205 L209 K210 G211 R351S204-E207 PolarHBondContact O-N 3.29Å; E205-E207 VanDerWaalsContact C-N 3.29Å; E205-E207 PolarHBondContact O-N 2.86Å; E207-L209 PolarHBondContact O-N 3.21Å; E207-K210 WeakPolarHBondContact O-CA 3.44Å; E207-K210 WeakPolarHBondContact O-CB 3.24Å; E207-K210 PolarHBondContact O-N 2.95Å; E207-K210 IonicContact OE1-NZ 3.05Å; E207-K210 PolarHBondContact OE1-NZ 2.8Å; E207-K210 WeakPolarHBondContact OE2-CD 3.3Å; E207-K210 IonicContact OE2-NZ 2.86Å; E207-K210 PolarHBondContact OE2-NZ 3.16Å; E207-G211 PolarHBondContact O-N 2.88Å; E207-R351 IonicContact OE1-CZ 2.77Å; E207-R351 IonicContact OE1-NH1 2.72Å; E207-R351 PolarHBondContact OE1-NH1 3.3Å; E207-R351 IonicContact OE1-NH2 3.89Å; E207-R351 PolarHBondContact OE1-NH2 3.35Å
208L50.3Low48.8Very low68 Ų6891.2 Ų91.236%0.35649%0.49SS..Hα-helixtrans-56-40.5175.2-59.5176.5000111E205 K210 G211 A279E205-L208 PolarHBondContact O-N 3.49Å; L208-K210 PolarHBondContact O-N 3.27Å; L208-G211 PolarHBondContact O-N 3.27Å; L208-A279 HydrophobicContact CD2-CB 4.24Å
209L46.8Very low47.6Very low135 Ų135103.1 Ų103.171%0.70753%0.534SS*.Hα-helixtrans-67.9-14.4174.8-67.4171.3000114.8E205 E207E205-L209 PolarHBondContact O-N 3.35Å; E207-L209 PolarHBondContact O-N 3.21Å
210K47.7Very low46.2Very low122 Ų122112.1 Ų112.153%0.5357%0.565SS.*Hα-helixtrans-92.4-27.6173.7-62.8178.8-157.2148.40112.6A206 E207 L208 K212 R213A206-K210 WeakPolarHBondContact O-CE 3.33Å; A206-K210 WeakPolarHBondContact O-CG 3.43Å; E207-K210 WeakPolarHBondContact O-CA 3.44Å; E207-K210 WeakPolarHBondContact O-CB 3.24Å; E207-K210 PolarHBondContact O-N 2.95Å; E207-K210 IonicContact OE1-NZ 3.05Å; E207-K210 PolarHBondContact OE1-NZ 2.8Å; E207-K210 WeakPolarHBondContact OE2-CD 3.3Å; E207-K210 IonicContact OE2-NZ 2.86Å; E207-K210 PolarHBondContact OE2-NZ 3.16Å; L208-K210 PolarHBondContact O-N 3.27Å; K210-K212 VanDerWaalsContact C-N 3.31Å; K210-K212 PolarHBondContact O-N 2.7Å; K210-R213 PolarHBondContact O-N 2.82Å
211G42.5Very low44.5Very low62 Ų62117.2 Ų117.264%0.63960%0.601SS**Hα-helixtrans-56.8-40.9179.200000113.1E207 L208 R213E207-G211 PolarHBondContact O-N 2.88Å; L208-G211 PolarHBondContact O-N 3.27Å; G211-R213 PolarHBondContact O-N 2.95Å
212K43.8Very low42.8Very low156 Ų156121.3 Ų121.368%0.67862%0.619SS**THydrogen-bonded Turntrans-70.921.8179.7-70.1-165173.2-172.30115.4K210K210-K212 VanDerWaalsContact C-N 3.31Å; K210-K212 PolarHBondContact O-N 2.7Å
213R40.5Very low41.7Very low221 Ų221128.3 Ų128.383%0.83465%0.654SS**  trans-124.952.8177.6-69.8-165.2178.6-166.70.6114.7K210 G211K210-R213 PolarHBondContact O-N 2.82Å; G211-R213 PolarHBondContact O-N 2.95Å
214K41.6Very low40.3Very low209 Ų209128.9 Ų128.991%0.90967%0.669SS**  trans-152.185.2165.5-120.5179.4-178.6-175.70112.7
215G30.6Very low39.2Very low79 Ų79131.9 Ų131.981%0.81470%0.702SS**  trans-169.276.3179.500000114.1
216G32.4Very low38.6Very low73 Ų73133.4 Ų133.475%0.75371%0.714SS**  trans66.4175.9174.600000116.1
217L33.9Very low38.3Very low153 Ų153140.7 Ų140.780%0.80174%0.738SS**  cis-152.4153.3-25.5-106.7172.3000107.6
218F32.6Very low37.7Very low171 Ų171146.4 Ų146.475%0.7577%0.769SS**  trans32.5114171.6-63.9-69.5000121.1
219R34.9Very low36.8Very low262 Ų262154.3 Ų154.399%0.98980%0.795SS**  -128.4147.6125.2-72.7-166.1-176.9-117.2-0.2109.1
220R34.7Very low36Very low221 Ų221157.7 Ų157.783%0.83480%0.803SS**  trans-137.5149.1-172.4-158.9179.7-167-178.84.1109.4
221S31.1Very low35.3Very low114 Ų114156.6 Ų156.680%0.79781%0.811SS**  trans68.7150.2-174.4-52.50000113.1
222I35.5Very low34.7Very low145 Ų145161.2 Ų161.274%0.74482%0.816SS**  cis-134141.123.941169.3000113.3
223L38.2Very low34.1Very low158 Ų158159.6 Ų159.683%0.82783%0.825SS**  trans59.2154.3155-58.3169.1000119.2
224S30.5Very low33.8Very low105 Ų105159.5 Ų159.573%0.73482%0.824SS**  cis-166.1125.8-32.851.20000111.1
225G32.2Very low33.4Very low75 Ų75154.9 Ų154.977%0.77382%0.818SS**  trans86.9116.9152.500000119.4
226L36.4Very low33.4Very low186 Ų186155.8 Ų155.897%0.97481%0.812SS**  -152.2166109-137.572.8000111.2
227K38.8Very low33.3Very low192 Ų192160.2 Ų160.284%0.83582%0.818SS**  trans-90.3148.2-176.2-70.6168.8174.21680112.3
228L35.9Very low33Very low168 Ų168157.4 Ų157.488%0.8882%0.817SS**  trans165.2104.7137.3-90155.8000106.2
229R32.8Very low33.1Very low234 Ų234154.6 Ų154.688%0.88382%0.818SS**  cis83.5120.645.4-160.9-176.1-163.9-1615.3113.2
230K30.3Very low33Very low205 Ų205150.5 Ų150.589%0.89181%0.81SS**  trans67149.9-176.3-92.3-173.9171.8-173.50114.5
231S32.6Very low32.8Very low100 Ų100150.8 Ų150.870%0.69981%0.811SS**  cis-142.5150.1-1.644.90000111.8
232E30.1Very low32.9Very low159 Ų159149.5 Ų149.574%0.74380%0.802SS**  trans-67.9151.7162.8-61.7174.499.800110.8
233S29.6Very low33Very low122 Ų122150.9 Ų150.985%0.85380%0.803SS**  trans-140.8127.1154.4-78.10000108.3
234R34.6Very low32.6Very low218 Ų218151.7 Ų151.782%0.82380%0.803SS**  trans-122.7105-175.7-68.117165.7150-1.2110.5
235S33.7Very low32.4Very low112 Ų112151.2 Ų151.278%0.78380%0.799SS**  trans-163.7134.5153.246.20000109.2
236S30.2Very low32.2Very low99 Ų99151.9 Ų151.969%0.69279%0.792SS**  cis109.1124.55.680.80000115.6
237L29.9Very low31.8Very low165 Ų165152.6 Ų152.686%0.86479%0.787SS**  trans87.4130157.5-56.5174.6000120.3
238A29.6Very low31.3Very low95 Ų95154.3 Ų154.379%0.78579%0.789SS**  trans50.6140.9141.700000120.5
239S34.2Very low30.9Very low112 Ų112150.4 Ų150.478%0.78378%0.776SS**  cis-132.5166.223.156.90000111.7
240Q32.2Very low30.6Very low175 Ų175148 Ų14882%0.81877%0.774SS**  cis82.97219-154.4-169.721.500117.4
241R31.6Very low30.5Very low227 Ų227142.8 Ų142.886%0.85777%0.77SS**  -174.2125.4128.6-105.9-173.9169.8-143.5-6.1110.8
242S33.1Very low30.3Very low87 Ų87141.6 Ų141.661%0.60877%0.773SS**  56.1130.497.383.60000113.9
243K36.5Very low30.2Very low175 Ų175143.4 Ų143.476%0.76178%0.784SS**  -141.9136.453.8-68.4174.1-176.6174.10110.5
244Q29.7Very low30.1Very low175 Ų175142.6 Ų142.682%0.81878%0.778SS**  81.2129.995.1-170.5-176-9.500113.3
245S27.8Very low30Very low94 Ų94138.6 Ų138.666%0.65778%0.778SS**  cis-158.5172.1-13.947.10000111.2
246S27.6Very low29.8Very low89 Ų89139.3 Ų139.362%0.62278%0.777SS**  trans-50.1155.8167.152.60000115
247F26.5Very low29.7Very low201 Ų201139 Ų13988%0.88278%0.775SS**  -151.1139.2106-101.7-71.9000112.7
248R28.2Very low29.7Very low229 Ų229136.9 Ų136.986%0.86477%0.774SS**  trans-92175153-67.9178.5166.8178.1-5.9106.8
249S28.8Very low29.6Very low86 Ų86136.6 Ų136.660%0.60177%0.772SS**  cis-162.9176.310.7-143.40000108.4
250E26.7Very low29.5Very low183 Ų183135.8 Ų135.886%0.85577%0.772SS**  trans63.9161.7155.2-75.3148.2-139.100118.4
251A28.4Very low29.5Very low96 Ų96132.4 Ų132.479%0.79377%0.767SS**  cis-129.2153.3-7.400000109.3
252G27.7Very low29.6Very low74 Ų74128.5 Ų128.576%0.76376%0.764SS**  110.215787.900000109.6
253M27.4Very low29.7Very low197 Ų197130.8 Ų130.897%0.9777%0.768SS**  cis-144.3169.2-4.4-79173.155.500109.4
254S28.4Very low29.4Very low106 Ų106129.3 Ų129.374%0.74177%0.768SS**  trans-118.5137.2-178.157.10000114
255T32.7Very low29.3Very low133 Ų133126.6 Ų126.682%0.81677%0.769SS**  trans-138.2123.4155.8450000107.9
256V28.5Very low29.4Very low127 Ų127128.8 Ų128.877%0.7778%0.778SS**  70.3127.366172.40000111.6
257S28.5Very low29.6Very low93 Ų93132 Ų13265%0.6579%0.787SS**  cis-171.8170.9-14.7-92.50000109.4
258S29.6Very low29.7Very low121 Ų121127.8 Ų127.885%0.84678%0.782SS**  trans69.8156.1157.1-57.90000117.5
259A28.1Very low29.7Very low88 Ų88125.4 Ų125.473%0.72779%0.786SS**  cis-154.7136.5-16.700000106.8
260A31.6Very low29.7Very low96 Ų96124.8 Ų124.879%0.79379%0.793SS**  66.814486.900000113.9
261S33Very low29.8Very low103 Ų103124 Ų12472%0.7280%0.795SS**  cis-147.8-177.410.7-41.80000109.7
262D32.4Very low30.2Very low145 Ų145123.9 Ų123.978%0.77579%0.793SS**  cis-149.6-142.3-1.9-137.1-46.2000107.3
263I35.9Very low30.3Very low136 Ų136127.7 Ų127.770%0.69780%0.796SS**  cis-152.5159.32.1-150.1168.7000111.4
264N30.6Very low30.7Very low144 Ų144122.1 Ų122.177%0.7778%0.781SS**  trans50.4100.5162.8-72.8-6.8000120.9
265S27.8Very low31Very low118 Ų118125 Ų12583%0.82578%0.783SS**  trans-91.5150158.1-450000111.9
266T29.8Very low31.1Very low140 Ų140125.5 Ų125.586%0.85978%0.78SS**  trans-142.2134.5152.935.70000112.9
267I30.1Very low31.1Very low157 Ų157122.1 Ų122.181%0.80577%0.766SS**  trans-20.4134.6166.953.6178.1000116.9
268S30.2Very low31.6Very low111 Ų111122.6 Ų122.678%0.77676%0.764SS**  cis72.9102.546.6-1660000114.9
269L28.4Very low32Very low180 Ų180119.9 Ų119.994%0.94275%0.749SS**  trans-149.6120154.1-108171.1000106.6
270G28.5Very low32.9Very low73 Ų73120 Ų12075%0.75374%0.737SS**  trans-103.8148.3-179.800000111.9
271D27.3Very low34Very low167 Ų167116.8 Ų116.889%0.89371%0.707SS**  trans-135.2153.2154.9-163.67.4000108.8D273D271-D273 PolarHBondContact O-N 2.85Å
272A37.3Very low35.5Very low92 Ų92120 Ų12076%0.7672%0.716SS**  trans-96.282.1-166.500000112.1
273D30.6Very low37.5Very low155 Ų155113.7 Ų113.783%0.82968%0.683SS**  trans-79.2123.5163.5-161.86.4000110.4D271 E275D271-D273 PolarHBondContact O-N 2.85Å; D273-E275 PolarHBondContact O-N 2.9Å
274A34.5Very low39.6Very low79 Ų79111 Ų11165%0.65367%0.669SS**  trans-89.293.1-160.400000111.9L276A274-L276 PolarHBondContact O-N 3.05Å; A274-L276 VanDerWaalsContact O-N 3.09Å
275E36.3Very low42.1Very low166 Ų166106.9 Ų106.978%0.77666%0.656SS**  trans25.176.4155-166.7-179.6-146.800113.6D273 A277D273-E275 PolarHBondContact O-N 2.9Å; E275-A277 HydrophobicContact CG-CB 4.09Å; E275-A277 PolarHBondContact O-N 3.05Å
276L33.1Very low45Very low144 Ų144105.8 Ų105.875%0.75464%0.644SS**  trans-75.350.5170.3-89.9169.6000111.5A274 V278A274-L276 PolarHBondContact O-N 3.05Å; A274-L276 VanDerWaalsContact O-N 3.09Å; L276-V278 PolarHBondContact O-N 3.36Å
277A30.5Very low47.7Very low57 Ų5799.2 Ų99.247%0.47160%0.604SS.*  trans-55.189144.100000107.8E275 A279E275-A277 HydrophobicContact CG-CB 4.09Å; E275-A277 PolarHBondContact O-N 3.05Å; A277-A279 PolarHBondContact O-N 2.65Å
278V38.6Very low50.6Low103 Ų10393.4 Ų93.462%0.62458%0.576SS**  trans-54.6127.7149.2-175.90000105.1L276 D280L276-V278 PolarHBondContact O-N 3.36Å; V278-D280 PolarHBondContact O-N 2.76Å
279A36.7Very low53.5Low63 Ų6388.2 Ų88.252%0.52154%0.54SS..  trans-70.782.6163.400000107L208 A277 D281L208-A279 HydrophobicContact CD2-CB 4.24Å; A277-A279 PolarHBondContact O-N 2.65Å; A279-D281 PolarHBondContact O-N 3.49Å
280D47.1Very low56.7Low90 Ų9081.9 Ų81.948%0.48151%0.508SS..  trans-48.1135.2148.6-108.2-81.2000106Y150 V278 D282Y150-D280 PolarHBondContact OH-OD1 3Å; V278-D280 PolarHBondContact O-N 2.76Å; D280-D282 PolarHBondContact O-N 3.08Å
281D55.5Low60Low29 Ų2978.4 Ų78.416%0.15547%0.472CS..  trans-52140.2153.7-59.5-46.9000105.3A202 H203 A279 V283A202-D281 WeakPolarHBondContact CB-OD2 3.25Å; A202-D281 PolarHBondContact N-OD2 2.87Å; H203-D281 IonicContact CD2-OD1 3.71Å; H203-D281 PolarHBondContact CD2-OD1 2.93Å; H203-D281 IonicContact CG-OD1 3.05Å; A279-D281 PolarHBondContact O-N 3.49Å; D281-V283 HydrophobicContact CB-CG2 3.93Å; D281-V283 WeakPolarHBondContact O-CG2 3.42Å; D281-V283 PolarHBondContact O-N 2.75Å
282D65.4Low63.3Low170 Ų17071.2 Ų71.291%0.90944%0.435SS*.  trans-71.573.3-177.8-166.919.8000110.5D280 D284D280-D282 PolarHBondContact O-N 3.08Å; D282-D284 PolarHBondContact O-N 3.08Å
283V73.9Confident66.3Low14 Ų1466.9 Ų66.99%0.08540%0.399CS..  trans-84.3101.3-176.3-175.90000106.8Y150 D281 A285 A287 R308Y150-V283 HydrophobicContact CD1-CB 3.64Å; Y150-V283 HydrophobicContact CD1-CG1 3.59Å; Y150-V283 WeakPolarHBondContact CD1-O 3.43Å; Y150-V283 HydrophobicContact CD2-CG1 3.99Å; Y150-V283 HydrophobicContact CE1-CB 3.73Å; Y150-V283 HydrophobicContact CE1-CG1 4.11Å; Y150-V283 HydrophobicContact CE1-CG2 4.41Å; Y150-V283 HydrophobicContact CE2-CG1 4.45Å; Y150-V283 HydrophobicContact CG-CB 4.1Å; Y150-V283 HydrophobicContact CG-CG1 3.52Å; D281-V283 HydrophobicContact CB-CG2 3.93Å; D281-V283 WeakPolarHBondContact O-CG2 3.42Å; D281-V283 PolarHBondContact O-N 2.75Å; V283-A285 PolarHBondContact O-N 2.88Å; V283-A287 HydrophobicContact CG1-CB 3.84Å; V283-R308 VanDerWaalsContact CG2-NH1 3.31Å
284D80.3Confident69.5Low78 Ų7861.8 Ų61.842%0.41737%0.371SS..  trans-39134.1172.1161.250.3000111.9D282 T286 A287D282-D284 PolarHBondContact O-N 3.08Å; D284-T286 VanDerWaalsContact CG-N 3.31Å; D284-T286 PolarHBondContact O-N 3.24Å; D284-T286 VanDerWaalsContact O-N 3.1Å; D284-T286 PolarHBondContact OD1-N 2.87Å; D284-T286 VanDerWaalsContact OD1-N 3.17Å; D284-T286 WeakPolarHBondContact OD2-CA 3.21Å; D284-T286 VanDerWaalsContact OD2-CB 3.25Å; D284-T286 WeakPolarHBondContact OD2-CB 3.28Å; D284-T286 PolarHBondContact OD2-N 3.41Å; D284-T286 VanDerWaalsContact OD2-N 3.11Å; D284-T286 PolarHBondContact OD2-OG1 3.33Å; D284-A287 HydrophobicContact CB-CB 4.5Å; D284-A287 WeakPolarHBondContact O-CB 3.45Å; D284-A287 PolarHBondContact O-N 3.33Å; D284-A287 PolarHBondContact OD2-N 2.71Å
285A82.7Confident72.5Confident58 Ų5858.3 Ų58.348%0.47934%0.34SS..THydrogen-bonded Turntrans-59.1-23.9-178.800000113.2P149 Y150 G151 V283P149-A285 VanDerWaalsContact CB-O 3.28Å; P149-A285 WeakPolarHBondContact CB-O 3.24Å; Y150-A285 PolarHBondContact N-O 3.08Å; G151-A285 PolarHBondContact N-O 2.86Å; V283-A285 PolarHBondContact O-N 2.88Å
286T87.8Confident75.3Confident95 Ų9556.4 Ų56.458%0.58333%0.33SS*.THydrogen-bonded Turntrans-80.7-14.3175.189.80000113.7D284 T288D284-T286 VanDerWaalsContact CG-N 3.31Å; D284-T286 PolarHBondContact O-N 3.24Å; D284-T286 VanDerWaalsContact O-N 3.1Å; D284-T286 PolarHBondContact OD1-N 2.87Å; D284-T286 VanDerWaalsContact OD1-N 3.17Å; D284-T286 WeakPolarHBondContact OD2-CA 3.21Å; D284-T286 VanDerWaalsContact OD2-CB 3.25Å; D284-T286 WeakPolarHBondContact OD2-CB 3.28Å; D284-T286 PolarHBondContact OD2-N 3.41Å; D284-T286 VanDerWaalsContact OD2-N 3.11Å; D284-T286 PolarHBondContact OD2-OG1 3.33Å; T286-T288 PolarHBondContact O-N 2.87Å
287A88.1Confident78Confident3 Ų353.4 Ų53.43%0.02531%0.314CS..  trans-63.4126.3-168.800000113.5P149 Y150 V283 D284 R308 S309P149-A287 CarbonylContact C-O 3.54Å; P149-A287 WeakPolarHBondContact CA-O 3.25Å; Y150-A287 PolarHBondContact N-O 2.72Å; V283-A287 HydrophobicContact CG1-CB 3.84Å; D284-A287 HydrophobicContact CB-CB 4.5Å; D284-A287 WeakPolarHBondContact O-CB 3.45Å; D284-A287 PolarHBondContact O-N 3.33Å; D284-A287 PolarHBondContact OD2-N 2.71Å; A287-R308 HydrophobicContact CB-CG 4.37Å; A287-S309 WeakPolarHBondContact CA-OG 3.49Å
288T90.2Very high80.8Confident34 Ų3451.2 Ų51.221%0.20930%0.295CS..  trans-109.3149178.252.10000111.3P149 T286 R308 S309P149-T288 HydrophobicContact CG-CG2 4.02Å; T286-T288 PolarHBondContact O-N 2.87Å; T288-R308 CarbonylContact O-C 3.54Å; T288-R308 WeakPolarHBondContact O-CA 3.2Å; T288-S309 PolarHBondContact N-OG 3.03Å; T288-S309 PolarHBondContact O-N 2.9Å; T288-S309 PolarHBondContact OG1-OG 3.43Å
289E90.2Very high83.2Confident3 Ų350.5 Ų50.51%0.01428%0.283CS..EExtended strand (participates in β ladder)trans-112.5123.5175.4-179.8-161.9-145.300110.4R145 Q146 S147 L200 R300 S306 R307R145-E289 IonicContact CZ-OE2 3.52Å; R145-E289 IonicContact NH1-OE2 3.81Å; R145-E289 PolarHBondContact NH1-OE2 3.05Å; Q146-E289 CarbonylContact C-O 3.52Å; S147-E289 PolarHBondContact N-O 3.43Å; S147-E289 PolarHBondContact OG-N 2.76Å; L200-E289 PolarHBondContact N-OE1 3.19Å; E289-R300 IonicContact OE1-CZ 3.01Å; E289-R300 IonicContact OE1-NH1 2.82Å; E289-R300 PolarHBondContact OE1-NH1 3.19Å; E289-R300 IonicContact OE2-NH1 3.22Å; E289-S306 PolarHBondContact OE1-OG 2.88Å; E289-R307 WeakPolarHBondContact CA-O 3.45Å
290T96Very high86Confident46 Ų4647.9 Ų47.928%0.28226%0.26SS..EExtended strand (participates in β ladder)trans-110.6126.2169-62.10000110.1V144 R145 S306 R307V144-T290 HydrophobicContact CG1-CG2 4.13Å; R145-T290 CarbonylContact O-C 3.28Å; R145-T290 VanDerWaalsContact O-CA 3.31Å; R145-T290 WeakPolarHBondContact O-CA 3.29Å; T290-S306 CarbonylContact O-C 3.58Å; T290-S306 WeakPolarHBondContact O-CA 3.37Å; T290-R307 PolarHBondContact N-O 3.11Å; T290-R307 PolarHBondContact O-N 3.49Å
291Y97.3Very high88.3Confident0 Ų045 Ų450%025%0.246CC..EExtended strand (participates in β ladder)trans-116.2132.4173.3173.2-98.7000111.2V144 R145 E294 W295 R300 V305 W318V144-Y291 CarbonylContact C-O 3.54Å; V144-Y291 VanDerWaalsContact CA-O 3.31Å; V144-Y291 WeakPolarHBondContact CA-O 3.34Å; R145-Y291 PolarHBondContact N-O 2.93Å; R145-Y291 PolarHBondContact O-N 2.86Å; Y291-E294 PolarHBondContact OH-N 3.17Å; Y291-E294 PolarHBondContact OH-O 2.75Å; Y291-W295 AromaticContact CD1-CE2 3.77Å; Y291-W295 HydrophobicContact CD1-CH2 4.37Å; Y291-W295 AromaticContact CD1-CZ2 3.51Å; Y291-W295 HydrophobicContact CD1-CZ2 3.51Å; Y291-W295 AromaticContact CD1-NE1 3.81Å; Y291-W295 AromaticContact CE1-CE2 3.74Å; Y291-W295 AromaticContact CE1-CZ2 3.94Å; Y291-W295 HydrophobicContact CE1-CZ2 3.94Å; Y291-W295 AromaticContact CE1-NE1 3.58Å; Y291-R300 HydrophobicContact CD1-CG 3.86Å; Y291-R300 VanDerWaalsContact CD2-CD 3.5Å; Y291-R300 HydrophobicContact CD2-CG 4.43Å; Y291-R300 HydrophobicContact CE1-CB 4.07Å; Y291-R300 HydrophobicContact CE1-CG 3.62Å; Y291-R300 HydrophobicContact CE2-CB 4.4Å; Y291-R300 HydrophobicContact CE2-CG 4.24Å; Y291-R300 VanDerWaalsContact CG-CD 3.48Å; Y291-R300 HydrophobicContact CG-CG 4.23Å; Y291-V305 CarbonylContact C-O 3.49Å; Y291-V305 WeakPolarHBondContact CA-O 3.39Å; Y291-V305 VanDerWaalsContact CD2-O 3.22Å; Y291-V305 WeakPolarHBondContact CD2-O 3.34Å; Y291-W318 HydrophobicContact CD2-CZ2 4.01Å; Y291-W318 HydrophobicContact CE2-CD2 4.17Å; Y291-W318 AromaticContact CE2-CE2 3.59Å; Y291-W318 HydrophobicContact CE2-CG 4.37Å; Y291-W318 AromaticContact CE2-CZ2 3.89Å; Y291-W318 HydrophobicContact CE2-CZ2 3.89Å; Y291-W318 AromaticContact CE2-NE1 3.55Å
292C98.6Very high90.3Very high17 Ų1744.7 Ų44.712%0.11525%0.249CC..EExtended strand (participates in β ladder)trans-127.7114.8177.1-57.10000108.9V144 G304 V305 A377 A380V144-C292 HydrophobicContact CG2-CB 4.36Å; C292-G304 WeakPolarHBondContact O-CA 3.36Å; C292-V305 PolarHBondContact N-O 2.89Å; C292-V305 PolarHBondContact O-N 2.63Å; C292-A377 HydrophobicContact CB-CB 3.63Å; C292-A380 HydrophobicContact CB-CB 4.26Å
293G98.3Very high91.9Very high0 Ų039.9 Ų39.90%022%0.22CC..EExtended strand (participates in β ladder)trans168.9-154.6179.800000114.4G143 W295 F303G143-G293 PolarHBondContact N-O 2.89Å; G143-G293 VanDerWaalsContact N-O 3.13Å; G143-G293 PolarHBondContact O-N 2.82Å; G293-W295 VanDerWaalsContact O-CD1 3.28Å; G293-F303 WeakPolarHBondContact CA-O 3.28Å
294E98.6Very high93.1Very high49 Ų4939.2 Ų39.223%0.22922%0.216CC..EExtended strand (participates in β ladder)trans-83.9141.8-177.3-73.1176.1-105.800114.2G141 Y142 Y291 T301 F303G141-E294 CarbonylContact O-C 3.54Å; G141-E294 WeakPolarHBondContact O-CA 3.37Å; Y142-E294 HydrophobicContact CD1-CG 3.89Å; Y142-E294 HydrophobicContact CE1-CG 3.46Å; Y142-E294 VanDerWaalsContact CE1-CG 3.46Å; Y291-E294 PolarHBondContact OH-N 3.17Å; Y291-E294 PolarHBondContact OH-O 2.75Å; E294-T301 HydrophobicContact CB-CG2 4.05Å; E294-T301 WeakPolarHBondContact CB-O 3.42Å; E294-T301 PolarHBondContact O-N 3.06Å; E294-F303 PolarHBondContact N-O 2.96Å; E294-F303 PolarHBondContact OE1-N 2.94Å
295W96.9Very high93.9Very high5 Ų535.9 Ų35.92%0.01920%0.198CC..EExtended strand (participates in β ladder)trans-128.7139.8-179.2-6684.4000110.9F130 R139 H140 G141 G143 R145 Y291 G293 D298 K299 R300F130-W295 HydrophobicContact CD2-CZ2 4Å; F130-W295 AromaticContact CE2-CD1 3.83Å; F130-W295 HydrophobicContact CE2-CD2 4.03Å; F130-W295 AromaticContact CE2-CE2 3.67Å; F130-W295 HydrophobicContact CE2-CG 4.1Å; F130-W295 HydrophobicContact CE2-CZ2 4.16Å; F130-W295 AromaticContact CE2-NE1 3.56Å; R139-W295 HydrophobicContact CB-CE3 4.44Å; H140-W295 CarbonylContact C-O 3.52Å; H140-W295 WeakPolarHBondContact CA-O 3.05Å; G141-W295 PolarHBondContact N-O 3.21Å; G141-W295 PolarHBondContact O-N 3.46Å; G143-W295 PolarHBondContact O-NE1 3.36Å; R145-W295 HydrophobicContact CB-CH2 4.07Å; R145-W295 HydrophobicContact CB-CZ2 3.7Å; Y291-W295 AromaticContact CD1-CE2 3.77Å; Y291-W295 HydrophobicContact CD1-CH2 4.37Å; Y291-W295 AromaticContact CD1-CZ2 3.51Å; Y291-W295 HydrophobicContact CD1-CZ2 3.51Å; Y291-W295 AromaticContact CD1-NE1 3.81Å; Y291-W295 AromaticContact CE1-CE2 3.74Å; Y291-W295 AromaticContact CE1-CZ2 3.94Å; Y291-W295 HydrophobicContact CE1-CZ2 3.94Å; Y291-W295 AromaticContact CE1-NE1 3.58Å; G293-W295 VanDerWaalsContact O-CD1 3.28Å; W295-D298 WeakPolarHBondContact CZ3-O 3.42Å; W295-K299 WeakPolarHBondContact CA-O 3.46Å; W295-R300 HydrophobicContact CE3-CG 4.5Å; W295-R300 HydrophobicContact CH2-CG 4.06Å; W295-R300 HydrophobicContact CZ2-CG 4.39Å; W295-R300 HydrophobicContact CZ3-CG 4.1Å
296K95.5Very high94.6Very high126 Ų12633.1 Ų33.155%0.54818%0.175SC..EExtended strand (participates in β ladder)trans-143.3119.2169.8-175.1166.8-174.6168.10109.9D298 K299 T301K296-D298 PolarHBondContact O-N 2.92Å; K296-K299 PolarHBondContact N-O 3.49Å; K296-K299 PolarHBondContact O-N 3.19Å; K296-K299 VanDerWaalsContact O-N 3.08Å; K296-T301 HydrophobicContact CB-CG2 3.7Å
297N89.8Confident95Very high82 Ų8234.2 Ų34.244%0.43917%0.169SC..THydrogen-bonded Turntrans50.855.6177.9-55.39.4000110.9M138 R139 H140 K299M138-N297 HydrophobicContact SD-CB 4.08Å; R139-N297 PolarHBondContact O-N 3.33Å; H140-N297 PolarHBondContact ND1-OD1 3.34Å; N297-K299 VanDerWaalsContact C-N 3.27Å; N297-K299 PolarHBondContact O-N 2.95Å
298D89Confident95.2Very high10 Ų1034.9 Ų34.95%0.05317%0.171CC..THydrogen-bonded Turntrans68.43-177-52.8-48.2000117.6M138 R139 R168 R195 W295 K296M138-D298 WeakPolarHBondContact CA-OD1 3.48Å; R139-D298 PolarHBondContact N-OD1 2.84Å; R139-D298 IonicContact NE-OD1 3.5Å; R139-D298 PolarHBondContact NH2-O 2.96Å; R139-D298 PolarHBondContact O-N 2.91Å; R168-D298 IonicContact CZ-OD2 2.63Å; R168-D298 IonicContact NH1-OD2 2.68Å; R168-D298 IonicContact NH2-OD2 3.81Å; R168-D298 PolarHBondContact NH2-OD2 3.28Å; R195-D298 IonicContact CZ-OD1 3.18Å; R195-D298 IonicContact CZ-OD2 2.74Å; R195-D298 VanDerWaalsContact CZ-OD2 3.28Å; R195-D298 IonicContact NE-OD1 2.68Å; R195-D298 IonicContact NE-OD2 2.63Å; R195-D298 PolarHBondContact NE-OD2 3.27Å; R195-D298 VanDerWaalsContact NE-OD2 3.1Å; R195-D298 IonicContact NH2-OD1 2.7Å; R195-D298 PolarHBondContact NH2-OD1 3.06Å; R195-D298 IonicContact NH2-OD2 2.83Å; R195-D298 PolarHBondContact NH2-OD2 3.23Å; W295-D298 WeakPolarHBondContact CZ3-O 3.42Å; K296-D298 PolarHBondContact O-N 2.92Å
299K90.4Very high95.3Very high88 Ų8836.8 Ų36.838%0.38319%0.186SC..EExtended strand (participates in β ladder)trans-112.1139.5-176.8-52.7-177.8-172.4176.40112.3W295 K296 N297 T301 N321W295-K299 WeakPolarHBondContact CA-O 3.46Å; K296-K299 PolarHBondContact N-O 3.49Å; K296-K299 PolarHBondContact O-N 3.19Å; K296-K299 VanDerWaalsContact O-N 3.08Å; N297-K299 VanDerWaalsContact C-N 3.27Å; N297-K299 PolarHBondContact O-N 2.95Å; K299-T301 PolarHBondContact O-N 3.02Å; K299-N321 WeakPolarHBondContact CA-OD1 3.38Å
300R94.1Very high95.3Very high9 Ų939.2 Ų39.23%0.03420%0.198CC..EExtended strand (participates in β ladder)trans-58.2130.1166-52.7-173.7-73.7-145.9-4.1108.9F198 E289 Y291 W295 W318 S320 N321F198-R300 PolarHBondContact O-NH1 2.86Å; F198-R300 PolarHBondContact O-NH2 3.11Å; E289-R300 IonicContact OE1-CZ 3.01Å; E289-R300 IonicContact OE1-NH1 2.82Å; E289-R300 PolarHBondContact OE1-NH1 3.19Å; E289-R300 IonicContact OE2-NH1 3.22Å; Y291-R300 HydrophobicContact CD1-CG 3.86Å; Y291-R300 VanDerWaalsContact CD2-CD 3.5Å; Y291-R300 HydrophobicContact CD2-CG 4.43Å; Y291-R300 HydrophobicContact CE1-CB 4.07Å; Y291-R300 HydrophobicContact CE1-CG 3.62Å; Y291-R300 HydrophobicContact CE2-CB 4.4Å; Y291-R300 HydrophobicContact CE2-CG 4.24Å; Y291-R300 VanDerWaalsContact CG-CD 3.48Å; Y291-R300 HydrophobicContact CG-CG 4.23Å; W295-R300 HydrophobicContact CE3-CG 4.5Å; W295-R300 HydrophobicContact CH2-CG 4.06Å; W295-R300 HydrophobicContact CZ2-CG 4.39Å; W295-R300 HydrophobicContact CZ3-CG 4.1Å; R300-W318 HydrophobicContact CB-CB 4.27Å; R300-W318 HydrophobicContact CB-CD2 4.26Å; R300-W318 HydrophobicContact CB-CE3 4.16Å; R300-W318 HydrophobicContact CB-CG 4.35Å; R300-S320 PolarHBondContact O-N 2.94Å; R300-N321 PolarHBondContact N-OD1 2.9Å; R300-N321 PolarHBondContact NH2-O 3.06Å; R300-N321 VanDerWaalsContact NH2-O 3.07Å; R300-N321 PolarHBondContact O-N 2.79Å
301T95.9Very high95Very high30 Ų3038.8 Ų38.818%0.18420%0.203CC..EExtended strand (participates in β ladder)trans-147.2178.8-176.3-164.60000109.1E294 K296 K299 F303 W318E294-T301 HydrophobicContact CB-CG2 4.05Å; E294-T301 WeakPolarHBondContact CB-O 3.42Å; E294-T301 PolarHBondContact O-N 3.06Å; K296-T301 HydrophobicContact CB-CG2 3.7Å; K299-T301 PolarHBondContact O-N 3.02Å; T301-F303 PolarHBondContact O-N 3.24Å; T301-W318 CarbonylContact C-O 3.32Å; T301-W318 VanDerWaalsContact C-O 3.28Å; T301-W318 VanDerWaalsContact CA-O 3.28Å; T301-W318 WeakPolarHBondContact CA-O 3.37Å
302G98Very high94.7Very high21 Ų2138.8 Ų38.822%0.21620%0.203CC..EExtended strand (participates in β ladder)trans59.8-133.6168.400000111.4E317 W318G302-E317 CarbonylContact O-C 3.54Å; G302-E317 VanDerWaalsContact O-CA 3.3Å; G302-E317 WeakPolarHBondContact O-CA 3.41Å; G302-W318 PolarHBondContact N-O 3.02Å; G302-W318 PolarHBondContact O-N 3.08Å
303F98.7Very high94.6Very high70 Ų7039.7 Ų39.731%0.30721%0.206SC..EExtended strand (participates in β ladder)trans-102.9147.8176-66.9-80.5000112.4G293 E294 T301 E317 A369 G372 A376G293-F303 WeakPolarHBondContact CA-O 3.28Å; E294-F303 PolarHBondContact N-O 2.96Å; E294-F303 PolarHBondContact OE1-N 2.94Å; T301-F303 PolarHBondContact O-N 3.24Å; F303-E317 HydrophobicContact CD1-CG 4Å; F303-E317 HydrophobicContact CE1-CG 3.5Å; F303-E317 VanDerWaalsContact CE1-CG 3.5Å; F303-E317 HydrophobicContact CZ-CG 4.03Å; F303-A369 HydrophobicContact CE1-CB 4.2Å; F303-G372 WeakPolarHBondContact CB-O 3.33Å; F303-A376 HydrophobicContact CB-CB 3.72Å; F303-A376 WeakPolarHBondContact O-CB 3.35Å
304G98.3Very high94.5Very high0 Ų039.7 Ų39.70%021%0.206CC..EExtended strand (participates in β ladder)trans177.7161.7171.200000115.3C292 G316 W318C292-G304 WeakPolarHBondContact O-CA 3.36Å; G304-G316 PolarHBondContact N-O 3.2Å; G304-G316 VanDerWaalsContact N-O 3.14Å; G304-G316 PolarHBondContact O-N 2.95Å; G304-W318 PolarHBondContact O-NE1 3.5Å
305V98.5Very high94.5Very high7 Ų738.4 Ų38.44%0.04220%0.2CC..EExtended strand (participates in β ladder)trans-106.5132.9178.9175.30000109.4Y291 C292 R307 Y314 E315 A373 A377Y291-V305 CarbonylContact C-O 3.49Å; Y291-V305 WeakPolarHBondContact CA-O 3.39Å; Y291-V305 VanDerWaalsContact CD2-O 3.22Å; Y291-V305 WeakPolarHBondContact CD2-O 3.34Å; C292-V305 PolarHBondContact N-O 2.89Å; C292-V305 PolarHBondContact O-N 2.63Å; V305-R307 HydrophobicContact CG1-CG 3.98Å; V305-Y314 WeakPolarHBondContact CA-O 3.41Å; V305-E315 HydrophobicContact CG1-CG 4.17Å; V305-E315 HydrophobicContact CG2-CB 4.4Å; V305-E315 HydrophobicContact CG2-CG 4.07Å; V305-A373 HydrophobicContact CG2-CB 4.07Å; V305-A377 HydrophobicContact CB-CB 4.05Å; V305-A377 HydrophobicContact CG2-CB 3.89Å
306S96.6Very high94.6Very high0 Ų038.2 Ų38.20%020%0.199CC..EExtended strand (participates in β ladder)trans-116.5134.6165.3-160.80000109.5E289 T290 Q313 Y314E289-S306 PolarHBondContact OE1-OG 2.88Å; T290-S306 CarbonylContact O-C 3.58Å; T290-S306 WeakPolarHBondContact O-CA 3.37Å; S306-Q313 CarbonylContact O-C 3.55Å; S306-Q313 VanDerWaalsContact O-CA 3.31Å; S306-Q313 WeakPolarHBondContact O-CA 3.47Å; S306-Y314 PolarHBondContact N-O 2.9Å; S306-Y314 PolarHBondContact O-N 3.09Å
307R95.9Very high94.7Very high119 Ų11934.9 Ų34.945%0.44919%0.186SC..EExtended strand (participates in β ladder)trans-129.5131.2175.7-69.1-179.9-174.8-171.92.7109.4E289 T290 V305 Q313 E315E289-R307 WeakPolarHBondContact CA-O 3.45Å; T290-R307 PolarHBondContact N-O 3.11Å; T290-R307 PolarHBondContact O-N 3.49Å; V305-R307 HydrophobicContact CG1-CG 3.98Å; R307-Q313 HydrophobicContact CG-CB 4.21Å; R307-Q313 HydrophobicContact CG-CG 3.79Å; R307-Q313 VanDerWaalsContact NE-CD 3.34Å; R307-Q313 VanDerWaalsContact NH2-NE2 3.12Å; R307-E315 IonicContact NH2-OE1 2.68Å
308R92.4Very high95Very high17 Ų1731.4 Ų31.46%0.06417%0.166CC..EExtended strand (participates in β ladder)trans-103.4144171.6-166.3170.873.7175.520.3108.4L200 V283 A287 T288 D310 G311 L312L200-R308 PolarHBondContact O-NH1 3.18Å; V283-R308 VanDerWaalsContact CG2-NH1 3.31Å; A287-R308 HydrophobicContact CB-CG 4.37Å; T288-R308 CarbonylContact O-C 3.54Å; T288-R308 WeakPolarHBondContact O-CA 3.2Å; R308-D310 WeakPolarHBondContact CB-OD1 3.38Å; R308-D310 WeakPolarHBondContact CG-OD1 3.34Å; R308-D310 IonicContact CZ-OD1 3.57Å; R308-D310 IonicContact CZ-OD2 3.57Å; R308-D310 VanDerWaalsContact CZ-OD2 3.23Å; R308-D310 VanDerWaalsContact NE-CG 3.25Å; R308-D310 IonicContact NE-OD1 3.14Å; R308-D310 PolarHBondContact NE-OD1 3.29Å; R308-D310 IonicContact NE-OD2 2.71Å; R308-D310 PolarHBondContact NE-OD2 3.46Å; R308-D310 IonicContact NH2-OD1 2.72Å; R308-D310 IonicContact NH2-OD2 2.65Å; R308-D310 PolarHBondContact NH2-OD2 3.47Å; R308-D310 PolarHBondContact O-N 2.88Å; R308-G311 PolarHBondContact O-N 2.68Å; R308-L312 HydrophobicContact CB-CB 4.11Å; R308-L312 WeakPolarHBondContact CB-O 3.39Å; R308-L312 VanDerWaalsContact CZ-CD2 3.45Å; R308-L312 PolarHBondContact N-O 3.11Å
309S93.3Very high95.3Very high74 Ų7435 Ų3552%0.51719%0.185SC..THydrogen-bonded Turntrans-70.4-9.8-170.5610000114.9A287 T288 G311A287-S309 WeakPolarHBondContact CA-OG 3.49Å; T288-S309 PolarHBondContact N-OG 3.03Å; T288-S309 PolarHBondContact O-N 2.9Å; T288-S309 PolarHBondContact OG1-OG 3.43Å; S309-G311 VanDerWaalsContact C-N 3.27Å
310D89.4Confident95.3Very high53 Ų5333.8 Ų33.828%0.28319%0.187SC..THydrogen-bonded Turntrans-79.7-5.3168.770.9-31.2000113.4R308 L312 P332R308-D310 WeakPolarHBondContact CB-OD1 3.38Å; R308-D310 WeakPolarHBondContact CG-OD1 3.34Å; R308-D310 IonicContact CZ-OD1 3.57Å; R308-D310 IonicContact CZ-OD2 3.57Å; R308-D310 VanDerWaalsContact CZ-OD2 3.23Å; R308-D310 VanDerWaalsContact NE-CG 3.25Å; R308-D310 IonicContact NE-OD1 3.14Å; R308-D310 PolarHBondContact NE-OD1 3.29Å; R308-D310 IonicContact NE-OD2 2.71Å; R308-D310 PolarHBondContact NE-OD2 3.46Å; R308-D310 IonicContact NH2-OD1 2.72Å; R308-D310 IonicContact NH2-OD2 2.65Å; R308-D310 PolarHBondContact NH2-OD2 3.47Å; R308-D310 PolarHBondContact O-N 2.88Å; D310-L312 PolarHBondContact OD1-N 3.4Å; D310-L312 VanDerWaalsContact OD1-N 3.1Å; D310-P332 WeakPolarHBondContact O-CB 3.24Å; D310-P332 WeakPolarHBondContact O-CG 3.38Å
311G89.4Confident95.1Very high37 Ų3735.3 Ų35.338%0.38120%0.196SC..SBendtrans102.1-4.6-178.300000115.1R308 S309 Q313R308-G311 PolarHBondContact O-N 2.68Å; S309-G311 VanDerWaalsContact C-N 3.27Å; G311-Q313 PolarHBondContact O-N 3Å
312L92.1Very high94.9Very high0 Ų038.1 Ų38.10%021%0.206CC..  trans-70.1119174.7-17872.8000110.6L200 A202 R308 D310 T329 F331 P332L200-L312 HydrophobicContact CB-CD2 4.49Å; L200-L312 HydrophobicContact CD2-CD2 3.97Å; L200-L312 HydrophobicContact CD2-CG 3.85Å; L200-L312 HydrophobicContact CG-CD2 3.84Å; L200-L312 HydrophobicContact CG-CG 4.26Å; L200-L312 WeakPolarHBondContact O-CD2 3.27Å; A202-L312 HydrophobicContact CB-CD1 4.08Å; A202-L312 HydrophobicContact CB-CD2 3.99Å; R308-L312 HydrophobicContact CB-CB 4.11Å; R308-L312 WeakPolarHBondContact CB-O 3.39Å; R308-L312 VanDerWaalsContact CZ-CD2 3.45Å; R308-L312 PolarHBondContact N-O 3.11Å; D310-L312 PolarHBondContact OD1-N 3.4Å; D310-L312 VanDerWaalsContact OD1-N 3.1Å; L312-T329 HydrophobicContact CD1-CG2 3.88Å; L312-F331 HydrophobicContact CD1-CD1 3.6Å; L312-F331 HydrophobicContact CD1-CE1 4.08Å; L312-F331 HydrophobicContact CD1-CG 4.31Å; L312-P332 HydrophobicContact CB-CG 4.42Å
313Q95.9Very high94.6Very high37 Ų3737.3 Ų37.317%0.17320%0.196CC..EExtended strand (participates in β ladder)trans-128.5142.7-176.3175.5166.9-8.200111.2S306 R307 G311 E315 T329 T330S306-Q313 CarbonylContact O-C 3.55Å; S306-Q313 VanDerWaalsContact O-CA 3.31Å; S306-Q313 WeakPolarHBondContact O-CA 3.47Å; R307-Q313 HydrophobicContact CG-CB 4.21Å; R307-Q313 HydrophobicContact CG-CG 3.79Å; R307-Q313 VanDerWaalsContact NE-CD 3.34Å; R307-Q313 VanDerWaalsContact NH2-NE2 3.12Å; G311-Q313 PolarHBondContact O-N 3Å; Q313-E315 HydrophobicContact CG-CG 3.99Å; Q313-E315 PolarHBondContact NE2-OE1 3.06Å; Q313-T329 CarbonylContact O-C 3.43Å; Q313-T329 VanDerWaalsContact O-CA 3.26Å; Q313-T329 WeakPolarHBondContact O-CA 3.5Å; Q313-T330 PolarHBondContact N-O 2.82Å; Q313-T330 PolarHBondContact O-N 3.31Å
314Y96.5Very high94.4Very high0 Ų036.5 Ų36.50%019%0.194CC..EExtended strand (participates in β ladder)trans-132.4135.6167.7173.6-100.8000111.4V305 S306 E317 W318 R323 H324 C328 T329 Y341V305-Y314 WeakPolarHBondContact CA-O 3.41Å; S306-Y314 PolarHBondContact N-O 2.9Å; S306-Y314 PolarHBondContact O-N 3.09Å; Y314-E317 PolarHBondContact OH-O 3.28Å; Y314-E317 VanDerWaalsContact OH-O 3.05Å; Y314-W318 AromaticContact CD1-CE2 3.68Å; Y314-W318 HydrophobicContact CD1-CH2 4.09Å; Y314-W318 AromaticContact CD1-CZ2 3.44Å; Y314-W318 HydrophobicContact CD1-CZ2 3.44Å; Y314-W318 VanDerWaalsContact CD1-CZ2 3.44Å; Y314-W318 AromaticContact CD1-NE1 3.87Å; Y314-W318 HydrophobicContact CE1-CD2 4.3Å; Y314-W318 AromaticContact CE1-CE2 3.75Å; Y314-W318 AromaticContact CE1-CZ2 3.99Å; Y314-W318 HydrophobicContact CE1-CZ2 3.99Å; Y314-W318 AromaticContact CE1-NE1 3.72Å; Y314-R323 HydrophobicContact CD1-CG 3.86Å; Y314-R323 HydrophobicContact CD2-CG 4.16Å; Y314-R323 HydrophobicContact CE1-CB 3.99Å; Y314-R323 HydrophobicContact CE1-CG 3.79Å; Y314-R323 HydrophobicContact CE2-CB 4.17Å; Y314-R323 HydrophobicContact CE2-CG 4.1Å; Y314-R323 HydrophobicContact CG-CG 4.02Å; Y314-H324 PolarHBondContact OH-O 2.83Å; Y314-C328 WeakPolarHBondContact CA-O 3.26Å; Y314-C328 WeakPolarHBondContact CD2-O 3.33Å; Y314-T329 WeakPolarHBondContact CD2-OG1 3.41Å; Y314-Y341 AromaticContact CE2-CD2 3.84Å; Y314-Y341 HydrophobicContact CE2-CD2 3.84Å; Y314-Y341 AromaticContact CE2-CE2 3.76Å; Y314-Y341 HydrophobicContact CE2-CE2 3.76Å; Y314-Y341 HydrophobicContact CE2-CG 4.48Å
315E98.1Very high94.3Very high22 Ų2236.7 Ų36.710%0.10320%0.196CC..EExtended strand (participates in β ladder)trans-132.2119.2-178-51.9-175.2126.600108.3V305 R307 Q313 G327 C328 V370 A373V305-E315 HydrophobicContact CG1-CG 4.17Å; V305-E315 HydrophobicContact CG2-CB 4.4Å; V305-E315 HydrophobicContact CG2-CG 4.07Å; R307-E315 IonicContact NH2-OE1 2.68Å; Q313-E315 HydrophobicContact CG-CG 3.99Å; Q313-E315 PolarHBondContact NE2-OE1 3.06Å; E315-G327 CarbonylContact O-C 3.53Å; E315-G327 WeakPolarHBondContact O-CA 3.4Å; E315-C328 PolarHBondContact N-O 3.29Å; E315-C328 PolarHBondContact O-N 2.91Å; E315-V370 HydrophobicContact CB-CB 4.5Å; E315-V370 HydrophobicContact CB-CG1 4.16Å; E315-V370 HydrophobicContact CB-CG2 4.11Å; E315-A373 HydrophobicContact CB-CB 4.28Å
316G97.8Very high94.2Very high0 Ų038.5 Ų38.50%020%0.202CC..EExtended strand (participates in β ladder)trans159.2-152.6178.200000114.1G304 Y326 A373G304-G316 PolarHBondContact N-O 3.2Å; G304-G316 VanDerWaalsContact N-O 3.14Å; G304-G316 PolarHBondContact O-N 2.95Å; G316-Y326 WeakPolarHBondContact CA-O 3.28Å; G316-A373 VanDerWaalsContact N-CB 3.27Å
317E98.3Very high94.2Very high57 Ų5738.5 Ų38.527%0.26620%0.202SC..EExtended strand (participates in β ladder)trans-81.7140.6-179.5-70.3173.8-106.500113.1G302 F303 Y314 H324 G325 Y326G302-E317 CarbonylContact O-C 3.54Å; G302-E317 VanDerWaalsContact O-CA 3.3Å; G302-E317 WeakPolarHBondContact O-CA 3.41Å; F303-E317 HydrophobicContact CD1-CG 4Å; F303-E317 HydrophobicContact CE1-CG 3.5Å; F303-E317 VanDerWaalsContact CE1-CG 3.5Å; F303-E317 HydrophobicContact CZ-CG 4.03Å; Y314-E317 PolarHBondContact OH-O 3.28Å; Y314-E317 VanDerWaalsContact OH-O 3.05Å; E317-H324 CarbonylContact O-C 3.31Å; E317-H324 PolarHBondContact O-N 2.79Å; E317-H324 VanDerWaalsContact O-O 3.14Å; E317-G325 VanDerWaalsContact CD-CA 3.45Å; E317-G325 WeakPolarHBondContact OE1-CA 3.47Å; E317-G325 WeakPolarHBondContact OE2-CA 3.49Å; E317-Y326 PolarHBondContact N-O 2.79Å; E317-Y326 PolarHBondContact OE1-N 3.2Å
318W96.6Very high94.2Very high8 Ų833.4 Ų33.43%0.0319%0.185CC..EExtended strand (participates in β ladder)trans-121.7144.3177.8-66.583.1000111L200 Y291 R300 T301 G302 G304 Y314 N321 K322 R323L200-W318 HydrophobicContact CD1-CH2 4.4Å; Y291-W318 HydrophobicContact CD2-CZ2 4.01Å; Y291-W318 HydrophobicContact CE2-CD2 4.17Å; Y291-W318 AromaticContact CE2-CE2 3.59Å; Y291-W318 HydrophobicContact CE2-CG 4.37Å; Y291-W318 AromaticContact CE2-CZ2 3.89Å; Y291-W318 HydrophobicContact CE2-CZ2 3.89Å; Y291-W318 AromaticContact CE2-NE1 3.55Å; R300-W318 HydrophobicContact CB-CB 4.27Å; R300-W318 HydrophobicContact CB-CD2 4.26Å; R300-W318 HydrophobicContact CB-CE3 4.16Å; R300-W318 HydrophobicContact CB-CG 4.35Å; T301-W318 CarbonylContact C-O 3.32Å; T301-W318 VanDerWaalsContact C-O 3.28Å; T301-W318 VanDerWaalsContact CA-O 3.28Å; T301-W318 WeakPolarHBondContact CA-O 3.37Å; G302-W318 PolarHBondContact N-O 3.02Å; G302-W318 PolarHBondContact O-N 3.08Å; G304-W318 PolarHBondContact O-NE1 3.5Å; Y314-W318 AromaticContact CD1-CE2 3.68Å; Y314-W318 HydrophobicContact CD1-CH2 4.09Å; Y314-W318 AromaticContact CD1-CZ2 3.44Å; Y314-W318 HydrophobicContact CD1-CZ2 3.44Å; Y314-W318 VanDerWaalsContact CD1-CZ2 3.44Å; Y314-W318 AromaticContact CD1-NE1 3.87Å; Y314-W318 HydrophobicContact CE1-CD2 4.3Å; Y314-W318 AromaticContact CE1-CE2 3.75Å; Y314-W318 AromaticContact CE1-CZ2 3.99Å; Y314-W318 HydrophobicContact CE1-CZ2 3.99Å; Y314-W318 AromaticContact CE1-NE1 3.72Å; W318-N321 WeakPolarHBondContact CZ3-O 3.46Å; W318-K322 WeakPolarHBondContact CA-O 3.48Å; W318-R323 HydrophobicContact CZ3-CG 4.43Å
319L95.3Very high94.3Very high85 Ų8532.7 Ų32.745%0.44518%0.182SC..EExtended strand (participates in β ladder)trans-142.3116.4171-175.463.1000110.5N321 K322 H324L319-N321 PolarHBondContact O-N 2.94Å; L319-K322 PolarHBondContact N-O 2.96Å; L319-K322 PolarHBondContact O-N 3.46Å; L319-K322 VanDerWaalsContact O-N 3.16Å; L319-H324 HydrophobicContact CB-CB 3.71Å
320S89.9Confident94.2Very high63 Ų6330 Ų3044%0.44116%0.162SC..THydrogen-bonded Turntrans49.455.2179.5-70.10000113.1R300 K322R300-S320 PolarHBondContact O-N 2.94Å; S320-K322 PolarHBondContact O-N 2.89Å
321N90.6Very high94.3Very high41 Ų4128.9 Ų28.922%0.21916%0.155CC..THydrogen-bonded Turntrans71.7-6.1-179-53.3-44.8000117.2F198 K299 R300 W318 L319F198-N321 HydrophobicContact CD1-CB 4.25Å; F198-N321 HydrophobicContact CE1-CB 4.39Å; F198-N321 WeakPolarHBondContact CE1-OD1 3.4Å; K299-N321 WeakPolarHBondContact CA-OD1 3.38Å; R300-N321 PolarHBondContact N-OD1 2.9Å; R300-N321 PolarHBondContact NH2-O 3.06Å; R300-N321 VanDerWaalsContact NH2-O 3.07Å; R300-N321 PolarHBondContact O-N 2.79Å; W318-N321 WeakPolarHBondContact CZ3-O 3.46Å; L319-N321 PolarHBondContact O-N 2.94Å
322K90.4Very high94.4Very high89 Ų8930.8 Ų30.839%0.38716%0.16SC..EExtended strand (participates in β ladder)trans-103.4147.5-178.6-58.7-166178.9-162.80112W318 L319 S320 H324 Q343 N344W318-K322 WeakPolarHBondContact CA-O 3.48Å; L319-K322 PolarHBondContact N-O 2.96Å; L319-K322 PolarHBondContact O-N 3.46Å; L319-K322 VanDerWaalsContact O-N 3.16Å; S320-K322 PolarHBondContact O-N 2.89Å; K322-H324 PolarHBondContact O-N 2.87Å; K322-Q343 HydrophobicContact CD-CB 4Å; K322-N344 WeakPolarHBondContact CA-OD1 3.19Å; K322-N344 VanDerWaalsContact CB-OD1 3.3Å; K322-N344 WeakPolarHBondContact CB-OD1 3.33Å
323R93.6Very high94.2Very high4 Ų436.2 Ų36.22%0.01519%0.19CC..EExtended strand (participates in β ladder)trans-57131.3168-54-174.5-111.2164.3-4.1108.7T201 A202 Y314 W318 T329 Y341 Q343 N344T201-R323 PolarHBondContact O-NH2 2.84Å; A202-R323 PolarHBondContact O-NH2 2.83Å; Y314-R323 HydrophobicContact CD1-CG 3.86Å; Y314-R323 HydrophobicContact CD2-CG 4.16Å; Y314-R323 HydrophobicContact CE1-CB 3.99Å; Y314-R323 HydrophobicContact CE1-CG 3.79Å; Y314-R323 HydrophobicContact CE2-CB 4.17Å; Y314-R323 HydrophobicContact CE2-CG 4.1Å; Y314-R323 HydrophobicContact CG-CG 4.02Å; W318-R323 HydrophobicContact CZ3-CG 4.43Å; R323-T329 PolarHBondContact NH1-OG1 2.88Å; R323-Y341 HydrophobicContact CB-CD1 4.12Å; R323-Y341 HydrophobicContact CB-CG 4.12Å; R323-Q343 PolarHBondContact O-N 2.8Å; R323-N344 PolarHBondContact N-OD1 3.36Å; R323-N344 PolarHBondContact O-N 3.32Å
324H94.4Very high93.7Very high54 Ų5436.9 Ų36.925%0.2521%0.206CC..EExtended strand (participates in β ladder)trans-143.8-175.5-175-157.473.8000110.6Y314 E317 L319 K322 Y326 Y341Y314-H324 PolarHBondContact OH-O 2.83Å; E317-H324 CarbonylContact O-C 3.31Å; E317-H324 PolarHBondContact O-N 2.79Å; E317-H324 VanDerWaalsContact O-O 3.14Å; L319-H324 HydrophobicContact CB-CB 3.71Å; K322-H324 PolarHBondContact O-N 2.87Å; H324-Y326 PolarHBondContact O-N 3.33Å; H324-Y341 CarbonylContact C-O 3.44Å; H324-Y341 VanDerWaalsContact C-O 3.32Å; H324-Y341 WeakPolarHBondContact CA-O 3.22Å
325G95.8Very high93.4Very high4 Ų439.1 Ų39.14%0.04122%0.22CC..EExtended strand (participates in β ladder)trans52.5-131.616900000112.7E317 K340 Y341E317-G325 VanDerWaalsContact CD-CA 3.45Å; E317-G325 WeakPolarHBondContact OE1-CA 3.47Å; E317-G325 WeakPolarHBondContact OE2-CA 3.49Å; G325-K340 CarbonylContact O-C 3.08Å; G325-K340 WeakPolarHBondContact O-CA 3.47Å; G325-K340 WeakPolarHBondContact O-CG 3.39Å; G325-Y341 PolarHBondContact N-O 3.43Å; G325-Y341 VanDerWaalsContact N-O 3.11Å; G325-Y341 PolarHBondContact O-N 2.85Å
326Y96.8Very high93Very high45 Ų4543.1 Ų43.118%0.17624%0.237CC..EExtended strand (participates in β ladder)trans-107152.4169.7-64.9-90.7000111.7G316 E317 H324 G339 K340 K365 V366 A369G316-Y326 WeakPolarHBondContact CA-O 3.28Å; E317-Y326 PolarHBondContact N-O 2.79Å; E317-Y326 PolarHBondContact OE1-N 3.2Å; H324-Y326 PolarHBondContact O-N 3.33Å; Y326-G339 WeakPolarHBondContact CA-O 3.44Å; Y326-K340 HydrophobicContact CD1-CB 4Å; Y326-K340 HydrophobicContact CD1-CG 4.27Å; Y326-K340 HydrophobicContact CE1-CB 3.78Å; Y326-K340 HydrophobicContact CE1-CD 4.34Å; Y326-K340 HydrophobicContact CE1-CG 4Å; Y326-K340 HydrophobicContact CE2-CD 4.44Å; Y326-K340 HydrophobicContact CE2-CG 4.38Å; Y326-K365 HydrophobicContact CD1-CB 3.72Å; Y326-K365 HydrophobicContact CD2-CB 4.09Å; Y326-K365 HydrophobicContact CD2-CD 4.49Å; Y326-K365 HydrophobicContact CE1-CB 3.85Å; Y326-K365 HydrophobicContact CE1-CD 3.93Å; Y326-K365 HydrophobicContact CE2-CB 4.22Å; Y326-K365 HydrophobicContact CE2-CD 3.82Å; Y326-K365 HydrophobicContact CG-CB 3.85Å; Y326-K365 VanDerWaalsContact CZ-CD 3.49Å; Y326-V366 HydrophobicContact CD1-CG2 4.3Å; Y326-A369 WeakPolarHBondContact O-CB 3.44Å
327G96.2Very high92.6Very high0 Ų044.1 Ų44.10%024%0.242CC..EExtended strand (participates in β ladder)trans177.1-176.5175.300000114E315 G339 V366E315-G327 CarbonylContact O-C 3.53Å; E315-G327 WeakPolarHBondContact O-CA 3.4Å; G327-G339 PolarHBondContact N-O 3.04Å; G327-G339 PolarHBondContact O-N 3.49Å; G327-G339 VanDerWaalsContact O-O 3.13Å; G327-V366 WeakPolarHBondContact O-CG1 3.46Å
328C95.1Very high92.3Very high12 Ų1242.8 Ų42.88%0.08124%0.235CC..EExtended strand (participates in β ladder)trans-134.1123.9-177.9-172.60000109.5Y314 E315 E337 V366 V370Y314-C328 WeakPolarHBondContact CA-O 3.26Å; Y314-C328 WeakPolarHBondContact CD2-O 3.33Å; E315-C328 PolarHBondContact N-O 3.29Å; E315-C328 PolarHBondContact O-N 2.91Å; C328-E337 WeakPolarHBondContact CA-O 3.35Å; C328-V366 HydrophobicContact CB-CG1 4.05Å; C328-V370 HydrophobicContact CB-CG2 3.83Å
329T93.9Very high92.1Very high1 Ų142.4 Ų42.41%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-94.4128.9162.3-74.40000108.7L312 Q313 Y314 R323 F331 K336 E337L312-T329 HydrophobicContact CD1-CG2 3.88Å; Q313-T329 CarbonylContact O-C 3.43Å; Q313-T329 VanDerWaalsContact O-CA 3.26Å; Q313-T329 WeakPolarHBondContact O-CA 3.5Å; Y314-T329 WeakPolarHBondContact CD2-OG1 3.41Å; R323-T329 PolarHBondContact NH1-OG1 2.88Å; T329-F331 HydrophobicContact CG2-CD1 4.16Å; T329-F331 HydrophobicContact CG2-CD2 4.19Å; T329-F331 HydrophobicContact CG2-CE1 3.79Å; T329-F331 HydrophobicContact CG2-CE2 3.83Å; T329-F331 HydrophobicContact CG2-CG 4.34Å; T329-F331 HydrophobicContact CG2-CZ 3.61Å; T329-K336 CarbonylContact O-C 3.55Å; T329-K336 WeakPolarHBondContact O-CA 3.25Å; T329-E337 PolarHBondContact N-O 3.25Å; T329-E337 PolarHBondContact O-N 3.15Å
330T93.1Very high92Very high18 Ų1842.4 Ų42.411%0.1123%0.231CC..EExtended strand (participates in β ladder)trans-105.7131.6165.9-55.50000108.2Q313 T335 K336Q313-T330 PolarHBondContact N-O 2.82Å; Q313-T330 PolarHBondContact O-N 3.31Å; T330-T335 WeakPolarHBondContact CA-O 3.48Å; T330-K336 HydrophobicContact CG2-CD 4.42Å; T330-K336 HydrophobicContact CG2-CG 4.1Å; T330-K336 WeakPolarHBondContact OG1-CD 3.28Å; T330-K336 VanDerWaalsContact OG1-CE 3.23Å; T330-K336 WeakPolarHBondContact OG1-CE 3.34Å; T330-K336 PolarHBondContact OG1-NZ 2.65Å
331F91.4Very high92.1Very high30 Ų3039.5 Ų39.513%0.13221%0.21CC..  trans-97.1163.7-178.8-62.2-86.3000111.3A202 L312 T329 D333 G334 T335 E337A202-F331 HydrophobicContact CB-CD1 4.15Å; A202-F331 HydrophobicContact CB-CE1 3.96Å; L312-F331 HydrophobicContact CD1-CD1 3.6Å; L312-F331 HydrophobicContact CD1-CE1 4.08Å; L312-F331 HydrophobicContact CD1-CG 4.31Å; T329-F331 HydrophobicContact CG2-CD1 4.16Å; T329-F331 HydrophobicContact CG2-CD2 4.19Å; T329-F331 HydrophobicContact CG2-CE1 3.79Å; T329-F331 HydrophobicContact CG2-CE2 3.83Å; T329-F331 HydrophobicContact CG2-CG 4.34Å; T329-F331 HydrophobicContact CG2-CZ 3.61Å; F331-D333 WeakPolarHBondContact CB-OD1 3.32Å; F331-D333 PolarHBondContact O-N 2.81Å; F331-D333 VanDerWaalsContact O-N 3.16Å; F331-G334 PolarHBondContact O-N 2.74Å; F331-T335 WeakPolarHBondContact CD2-OG1 3.43Å; F331-T335 PolarHBondContact N-O 2.79Å; F331-E337 HydrophobicContact CE2-CB 3.96Å; F331-E337 HydrophobicContact CZ-CB 4.4Å
332P90.2Very high92.2Very high76 Ų7643 Ų4349%0.49422%0.223SC..THydrogen-bonded Turntrans-54.1-29.8177.2-30.538000115.2D310 L312 G334D310-P332 WeakPolarHBondContact O-CB 3.24Å; D310-P332 WeakPolarHBondContact O-CG 3.38Å; L312-P332 HydrophobicContact CB-CG 4.42Å; P332-G334 PolarHBondContact O-N 2.83Å
333D87.7Confident92.1Very high115 Ų11544.2 Ų44.262%0.61523%0.23SC*.THydrogen-bonded Turntrans-77.64.7175.673.2-12000114.1F331 T335F331-D333 WeakPolarHBondContact CB-OD1 3.32Å; F331-D333 PolarHBondContact O-N 2.81Å; F331-D333 VanDerWaalsContact O-N 3.16Å; D333-T335 PolarHBondContact O-N 3.2Å; D333-T335 VanDerWaalsContact OD1-CB 3.24Å; D333-T335 WeakPolarHBondContact OD1-CB 3.2Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.24Å; D333-T335 PolarHBondContact OD1-N 2.9Å; D333-T335 PolarHBondContact OD1-OG1 2.87Å; D333-T335 WeakPolarHBondContact OD2-CG2 3.42Å; D333-T335 PolarHBondContact OD2-OG1 3.01Å
334G86.8Confident91.8Very high50 Ų5046.2 Ų46.252%0.51524%0.241SC..SBendtrans74.31.1-176.100000114.7F331 P332F331-G334 PolarHBondContact O-N 2.74Å; P332-G334 PolarHBondContact O-N 2.83Å
335T89.6Confident91.4Very high48 Ų4847 Ų4729%0.29425%0.246SC..  trans-71.1160.3172.368.20000111.2T330 F331 D333T330-T335 WeakPolarHBondContact CA-O 3.48Å; F331-T335 WeakPolarHBondContact CD2-OG1 3.43Å; F331-T335 PolarHBondContact N-O 2.79Å; D333-T335 PolarHBondContact O-N 3.2Å; D333-T335 VanDerWaalsContact OD1-CB 3.24Å; D333-T335 WeakPolarHBondContact OD1-CB 3.2Å; D333-T335 WeakPolarHBondContact OD1-CG2 3.24Å; D333-T335 PolarHBondContact OD1-N 2.9Å; D333-T335 PolarHBondContact OD1-OG1 2.87Å; D333-T335 WeakPolarHBondContact OD2-CG2 3.42Å; D333-T335 PolarHBondContact OD2-OG1 3.01Å
336K90.1Very high90.9Very high106 Ų10647.8 Ų47.846%0.46125%0.249SC..EExtended strand (participates in β ladder)trans-136.5135.5-176.2-56.9-163178.9-141.20112.1T329 T330T329-K336 CarbonylContact O-C 3.55Å; T329-K336 WeakPolarHBondContact O-CA 3.25Å; T330-K336 HydrophobicContact CG2-CD 4.42Å; T330-K336 HydrophobicContact CG2-CG 4.1Å; T330-K336 WeakPolarHBondContact OG1-CD 3.28Å; T330-K336 VanDerWaalsContact OG1-CE 3.23Å; T330-K336 WeakPolarHBondContact OG1-CE 3.34Å; T330-K336 PolarHBondContact OG1-NZ 2.65Å
337E89.3Confident90.5Very high20 Ų2049.5 Ų49.59%0.09326%0.264CS..EExtended strand (participates in β ladder)trans-105.2103.6167-170.1-178.763.200108C328 T329 F331 Y341 L346 R351C328-E337 WeakPolarHBondContact CA-O 3.35Å; T329-E337 PolarHBondContact N-O 3.25Å; T329-E337 PolarHBondContact O-N 3.15Å; F331-E337 HydrophobicContact CE2-CB 3.96Å; F331-E337 HydrophobicContact CZ-CB 4.4Å; E337-Y341 WeakPolarHBondContact CG-OH 3.27Å; E337-Y341 PolarHBondContact O-OH 2.83Å; E337-Y341 WeakPolarHBondContact OE1-CE1 3.44Å; E337-Y341 PolarHBondContact OE1-OH 3Å; E337-L346 HydrophobicContact CG-CB 4.36Å; E337-L346 HydrophobicContact CG-CD1 4.19Å; E337-L346 HydrophobicContact CG-CD2 3.48Å; E337-L346 VanDerWaalsContact CG-CD2 3.48Å; E337-L346 HydrophobicContact CG-CG 4.18Å; E337-R351 IonicContact OE2-CZ 3.33Å; E337-R351 IonicContact OE2-NE 3.85Å; E337-R351 PolarHBondContact OE2-NE 2.63Å; E337-R351 IonicContact OE2-NH2 3.06Å; E337-R351 PolarHBondContact OE2-NH2 3.17Å
338E91.4Very high89.6Confident29 Ų2952.2 Ų52.214%0.13628%0.283CS..EExtended strand (participates in β ladder)trans-102.5128.5179.860.7175.1-136.500111.1G349 K350 R363 V366E338-G349 CarbonylContact O-C 3.52Å; E338-G349 WeakPolarHBondContact O-CA 3.32Å; E338-K350 HydrophobicContact CG-CB 3.93Å; E338-K350 HydrophobicContact CG-CG 4.4Å; E338-K350 PolarHBondContact O-N 3.14Å; E338-K350 VanDerWaalsContact OE1-CD 3.3Å; E338-K350 WeakPolarHBondContact OE1-CD 3.33Å; E338-K350 VanDerWaalsContact OE1-CE 3.31Å; E338-K350 WeakPolarHBondContact OE1-CE 3.49Å; E338-K350 IonicContact OE1-NZ 3.65Å; E338-K350 PolarHBondContact OE1-NZ 3.08Å; E338-R363 VanDerWaalsContact CD-NH2 3.32Å; E338-R363 IonicContact OE1-CZ 3.38Å; E338-R363 IonicContact OE1-NE 2.95Å; E338-R363 PolarHBondContact OE1-NE 2.78Å; E338-R363 IonicContact OE1-NH2 3.54Å; E338-R363 PolarHBondContact OE1-NH2 2.84Å; E338-R363 VanDerWaalsContact OE1-NH2 3.07Å; E338-R363 IonicContact OE2-CZ 2.68Å; E338-R363 IonicContact OE2-NE 2.68Å; E338-R363 PolarHBondContact OE2-NE 3.28Å; E338-R363 IonicContact OE2-NH2 3.87Å; E338-R363 PolarHBondContact OE2-NH2 2.89Å; E338-V366 HydrophobicContact CB-CG1 4.27Å
339G91.7Very high88.4Confident0 Ų053.1 Ų53.10%030%0.295CS..EExtended strand (participates in β ladder)trans159.1-151.6170.400000115.9Y326 G327 S348Y326-G339 WeakPolarHBondContact CA-O 3.44Å; G327-G339 PolarHBondContact N-O 3.04Å; G327-G339 PolarHBondContact O-N 3.49Å; G327-G339 VanDerWaalsContact O-O 3.13Å; G339-S348 CarbonylContact C-O 3.58Å; G339-S348 WeakPolarHBondContact CA-O 3.3Å
340K93.9Very high87Confident86 Ų8656.5 Ų56.537%0.37431%0.31SS..EExtended strand (participates in β ladder)trans-93123.7-179.1-161.9-175.9-177.6173.40111.3G325 Y326 V347 S348G325-K340 CarbonylContact O-C 3.08Å; G325-K340 WeakPolarHBondContact O-CA 3.47Å; G325-K340 WeakPolarHBondContact O-CG 3.39Å; Y326-K340 HydrophobicContact CD1-CB 4Å; Y326-K340 HydrophobicContact CD1-CG 4.27Å; Y326-K340 HydrophobicContact CE1-CB 3.78Å; Y326-K340 HydrophobicContact CE1-CD 4.34Å; Y326-K340 HydrophobicContact CE1-CG 4Å; Y326-K340 HydrophobicContact CE2-CD 4.44Å; Y326-K340 HydrophobicContact CE2-CG 4.38Å; K340-V347 HydrophobicContact CB-CG2 4.32Å; K340-V347 HydrophobicContact CD-CG2 4.43Å; K340-V347 HydrophobicContact CG-CG2 4.32Å; K340-V347 WeakPolarHBondContact O-CG2 3.45Å; K340-V347 PolarHBondContact O-N 2.87Å; K340-S348 PolarHBondContact N-O 2.92Å; K340-S348 PolarHBondContact O-N 2.77Å
341Y91.5Very high85.3Confident1 Ų161.4 Ų61.40%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-101.8147.8175.8-72.4-88.9000112Y314 R323 H324 G325 E337 I345 L346Y314-Y341 AromaticContact CE2-CD2 3.84Å; Y314-Y341 HydrophobicContact CE2-CD2 3.84Å; Y314-Y341 AromaticContact CE2-CE2 3.76Å; Y314-Y341 HydrophobicContact CE2-CE2 3.76Å; Y314-Y341 HydrophobicContact CE2-CG 4.48Å; R323-Y341 HydrophobicContact CB-CD1 4.12Å; R323-Y341 HydrophobicContact CB-CG 4.12Å; H324-Y341 CarbonylContact C-O 3.44Å; H324-Y341 VanDerWaalsContact C-O 3.32Å; H324-Y341 WeakPolarHBondContact CA-O 3.22Å; G325-Y341 PolarHBondContact N-O 3.43Å; G325-Y341 VanDerWaalsContact N-O 3.11Å; G325-Y341 PolarHBondContact O-N 2.85Å; E337-Y341 WeakPolarHBondContact CG-OH 3.27Å; E337-Y341 PolarHBondContact O-OH 2.83Å; E337-Y341 WeakPolarHBondContact OE1-CE1 3.44Å; E337-Y341 PolarHBondContact OE1-OH 3Å; Y341-I345 CarbonylContact C-O 3.58Å; Y341-I345 WeakPolarHBondContact CA-O 3.49Å; Y341-L346 HydrophobicContact CD1-CB 4.23Å; Y341-L346 HydrophobicContact CD1-CD1 4.42Å; Y341-L346 HydrophobicContact CD2-CD1 4.12Å; Y341-L346 HydrophobicContact CE1-CB 3.83Å; Y341-L346 HydrophobicContact CE1-CD1 4.03Å; Y341-L346 HydrophobicContact CE2-CD1 3.72Å; Y341-L346 HydrophobicContact CG-CD1 4.44Å
342K92.8Very high83.4Confident116 Ų11667.6 Ų67.650%0.50435%0.353SS..EExtended strand (participates in β ladder)trans-139.2108.9167.7-175.5-175.1175.7-172.90108.5I345 V347K342-I345 PolarHBondContact N-O 3.31Å; K342-I345 PolarHBondContact O-N 2.93Å; K342-I345 VanDerWaalsContact O-N 3.17Å; K342-V347 HydrophobicContact CB-CG1 3.82Å; K342-V347 HydrophobicContact CB-CG2 4.14Å
343Q88.2Confident81.3Confident114 Ų11471.6 Ų71.653%0.53337%0.37SS..THydrogen-bonded Turntrans5853.7174.8-58.2168.2-71.800112.1K322 R323 I345K322-Q343 HydrophobicContact CD-CB 4Å; R323-Q343 PolarHBondContact O-N 2.8Å; Q343-I345 PolarHBondContact O-N 2.99Å
344N88.1Confident79.1Confident45 Ų4573.2 Ų73.224%0.24138%0.378CS..THydrogen-bonded Turntrans70.8-12.7-173.3-60.8-14.5000116.6K322 R323K322-N344 WeakPolarHBondContact CA-OD1 3.19Å; K322-N344 VanDerWaalsContact CB-OD1 3.3Å; K322-N344 WeakPolarHBondContact CB-OD1 3.33Å; R323-N344 PolarHBondContact N-OD1 3.36Å; R323-N344 PolarHBondContact O-N 3.32Å
345I85.1Confident77.1Confident70 Ų7077.5 Ų77.536%0.35939%0.388SS..EExtended strand (participates in β ladder)trans-91.5128.8179.6-56.2171.9000110A206 Y341 K342 Q343 V347A206-I345 HydrophobicContact CB-CD1 4.22Å; Y341-I345 CarbonylContact C-O 3.58Å; Y341-I345 WeakPolarHBondContact CA-O 3.49Å; K342-I345 PolarHBondContact N-O 3.31Å; K342-I345 PolarHBondContact O-N 2.93Å; K342-I345 VanDerWaalsContact O-N 3.17Å; Q343-I345 PolarHBondContact O-N 2.99Å; I345-V347 HydrophobicContact CG2-CG1 4.33Å; I345-V347 PolarHBondContact O-N 3.27Å
346L86.8Confident75.3Confident21 Ų2180.4 Ų80.411%0.1141%0.407CS..EExtended strand (participates in β ladder)trans-69.3114.2165.8-174.481.6000108.9E337 Y341 R351E337-L346 HydrophobicContact CG-CB 4.36Å; E337-L346 HydrophobicContact CG-CD1 4.19Å; E337-L346 HydrophobicContact CG-CD2 3.48Å; E337-L346 VanDerWaalsContact CG-CD2 3.48Å; E337-L346 HydrophobicContact CG-CG 4.18Å; Y341-L346 HydrophobicContact CD1-CB 4.23Å; Y341-L346 HydrophobicContact CD1-CD1 4.42Å; Y341-L346 HydrophobicContact CD2-CD1 4.12Å; Y341-L346 HydrophobicContact CE1-CB 3.83Å; Y341-L346 HydrophobicContact CE1-CD1 4.03Å; Y341-L346 HydrophobicContact CE2-CD1 3.72Å; Y341-L346 HydrophobicContact CG-CD1 4.44Å; L346-R351 HydrophobicContact CD2-CG 4.26Å
347V86.9Confident73.1Confident81 Ų8182.8 Ų82.849%0.49142%0.424SS..EExtended strand (participates in β ladder)trans-100.2-16.8-179.1-66.10000113.6K340 K342 I345K340-V347 HydrophobicContact CB-CG2 4.32Å; K340-V347 HydrophobicContact CD-CG2 4.43Å; K340-V347 HydrophobicContact CG-CG2 4.32Å; K340-V347 WeakPolarHBondContact O-CG2 3.45Å; K340-V347 PolarHBondContact O-N 2.87Å; K342-V347 HydrophobicContact CB-CG1 3.82Å; K342-V347 HydrophobicContact CB-CG2 4.14Å; I345-V347 HydrophobicContact CG2-CG1 4.33Å; I345-V347 PolarHBondContact O-N 3.27Å
348S78.9Confident71.3Confident57 Ų5792.9 Ų92.940%0.39946%0.462SS..EExtended strand (participates in β ladder)trans-162.9107.4174.9-173.60000110.4G339 K340G339-S348 CarbonylContact C-O 3.58Å; G339-S348 WeakPolarHBondContact CA-O 3.3Å; K340-S348 PolarHBondContact N-O 2.92Å; K340-S348 PolarHBondContact O-N 2.77Å
349G68.7Low69.8Low32 Ų3292.7 Ų92.733%0.3347%0.465SS..EExtended strand (participates in β ladder)trans-167.5174.4-176.600000113.2E338 R351E338-G349 CarbonylContact O-C 3.52Å; E338-G349 WeakPolarHBondContact O-CA 3.32Å; G349-R351 PolarHBondContact O-N 2.68Å
350K63.8Low68.8Low71 Ų7197 Ų9731%0.30950%0.495SS..EExtended strand (participates in β ladder)trans-84.698171.9-66.5-168.7-160.4133.50110E338 A359 R363E338-K350 HydrophobicContact CG-CB 3.93Å; E338-K350 HydrophobicContact CG-CG 4.4Å; E338-K350 PolarHBondContact O-N 3.14Å; E338-K350 VanDerWaalsContact OE1-CD 3.3Å; E338-K350 WeakPolarHBondContact OE1-CD 3.33Å; E338-K350 VanDerWaalsContact OE1-CE 3.31Å; E338-K350 WeakPolarHBondContact OE1-CE 3.49Å; E338-K350 IonicContact OE1-NZ 3.65Å; E338-K350 PolarHBondContact OE1-NZ 3.08Å; K350-A359 VanDerWaalsContact CE-CB 3.42Å; K350-R363 VanDerWaalsContact NZ-CZ 3.33Å
351R57.8Low68.3Low121 Ų121100.4 Ų100.446%0.45751%0.51SS..  trans-76.5129.9147.3-68.5-177.1172.6176.5-1.9107.2E207 E337 L346 G349 N353E207-R351 IonicContact OE1-CZ 2.77Å; E207-R351 IonicContact OE1-NH1 2.72Å; E207-R351 PolarHBondContact OE1-NH1 3.3Å; E207-R351 IonicContact OE1-NH2 3.89Å; E207-R351 PolarHBondContact OE1-NH2 3.35Å; E337-R351 IonicContact OE2-CZ 3.33Å; E337-R351 IonicContact OE2-NE 3.85Å; E337-R351 PolarHBondContact OE2-NE 2.63Å; E337-R351 IonicContact OE2-NH2 3.06Å; E337-R351 PolarHBondContact OE2-NH2 3.17Å; L346-R351 HydrophobicContact CD2-CG 4.26Å; G349-R351 PolarHBondContact O-N 2.68Å; R351-N353 PolarHBondContact O-N 3.01Å
352K51.4Low68Low161 Ų161102.7 Ų102.770%0.752%0.522SS*.THydrogen-bonded Turntrans-61.6102.5176.6-70.8-178.7-179.8177.60108.3
353N46.9Very low67.7Low159 Ų159102.4 Ų102.485%0.8552%0.518SS*.THydrogen-bonded Turntrans1665.7156.4-84.4-11.8000115.1R351R351-N353 PolarHBondContact O-N 3.01Å
354L42.5Very low67.8Low150 Ų150101.2 Ų101.279%0.78551%0.512SS*.SBendtrans-134.7124.1170.2-78.299.2000115.3
355I43.7Very low68.1Low140 Ų140103 Ų10372%0.71852%0.518SS*.  trans36.7113.6151.6-46.9-179.3000118.8L357I355-L357 PolarHBondContact O-N 3.02Å
356P51.3Low68.6Low108 Ų10899.9 Ų99.970%0.70150%0.502SS*.SBendtrans-95.641.2-167.439.8-39.3000117.1
357L44.7Very low69Low156 Ų156102.9 Ų102.982%0.81752%0.518SS*.SBendtrans-114.3-5.2-172.9-74.8175.5000118.5I355I355-L357 PolarHBondContact O-N 3.02Å
358R52.1Low69.4Low232 Ų232105.4 Ų105.488%0.87552%0.519SS*.SBendtrans-110.418.1165.4-70.3-175.7-179.7157.51.4113
359A59.5Low70.3Confident26 Ų26102.9 Ų102.922%0.21550%0.501CS..  trans-70.2-37.2-166.200000115.2K350 I362 R363K350-A359 VanDerWaalsContact CE-CB 3.42Å; A359-I362 PolarHBondContact O-N 3.42Å; A359-R363 WeakPolarHBondContact O-CB 3.42Å; A359-R363 PolarHBondContact O-N 3.23Å
360S69.7Low71.7Confident89 Ų89103 Ų10362%0.62250%0.495SS*.Hα-helixtrans-61.6-58.3-166.352.80000113.5I362 R363 E364S360-I362 PolarHBondContact O-N 2.88Å; S360-I362 VanDerWaalsContact O-N 3.11Å; S360-R363 PolarHBondContact O-N 2.96Å; S360-R363 VanDerWaalsContact O-N 3.14Å; S360-E364 WeakPolarHBondContact O-CB 3.35Å; S360-E364 PolarHBondContact O-N 3.14Å
361K83.1Confident73.4Confident158 Ų158105.9 Ų105.969%0.68751%0.51SS*.Hα-helixtrans-67.3-9.7-177.5-65.7-171.2177.7-175.70115.2K365K361-K365 WeakPolarHBondContact O-CD 3.22Å; K361-K365 WeakPolarHBondContact O-CG 3.3Å
362I85.2Confident75.3Confident50 Ų50101 Ų10126%0.25650%0.497SS..Hα-helixtrans-92.9-46.9170.1-65.2177.8000109.4A359 S360 K365 V366A359-I362 PolarHBondContact O-N 3.42Å; S360-I362 PolarHBondContact O-N 2.88Å; S360-I362 VanDerWaalsContact O-N 3.11Å; I362-K365 PolarHBondContact O-N 3.45Å; I362-K365 VanDerWaalsContact O-N 3.16Å; I362-V366 PolarHBondContact O-N 3.28Å
363R86.5Confident77.6Confident110 Ų11093.3 Ų93.342%0.41546%0.464SS..Hα-helixtrans-56-52.3175.5171.4163.2-73.6-167.9-11.2111.5E338 K350 A359 S360 K365 V366 D367E338-R363 VanDerWaalsContact CD-NH2 3.32Å; E338-R363 IonicContact OE1-CZ 3.38Å; E338-R363 IonicContact OE1-NE 2.95Å; E338-R363 PolarHBondContact OE1-NE 2.78Å; E338-R363 IonicContact OE1-NH2 3.54Å; E338-R363 PolarHBondContact OE1-NH2 2.84Å; E338-R363 VanDerWaalsContact OE1-NH2 3.07Å; E338-R363 IonicContact OE2-CZ 2.68Å; E338-R363 IonicContact OE2-NE 2.68Å; E338-R363 PolarHBondContact OE2-NE 3.28Å; E338-R363 IonicContact OE2-NH2 3.87Å; E338-R363 PolarHBondContact OE2-NH2 2.89Å; K350-R363 VanDerWaalsContact NZ-CZ 3.33Å; A359-R363 WeakPolarHBondContact O-CB 3.42Å; A359-R363 PolarHBondContact O-N 3.23Å; S360-R363 PolarHBondContact O-N 2.96Å; S360-R363 VanDerWaalsContact O-N 3.14Å; R363-K365 PolarHBondContact O-N 2.67Å; R363-V366 CarbonylContact O-C 3.59Å; R363-V366 WeakPolarHBondContact O-CA 3.26Å; R363-V366 WeakPolarHBondContact O-CB 3.35Å; R363-V366 PolarHBondContact O-N 3.32Å; R363-D367 VanDerWaalsContact C-OD2 3.29Å; R363-D367 WeakPolarHBondContact CG-OD2 3.32Å; R363-D367 PolarHBondContact O-N 3.09Å; R363-D367 VanDerWaalsContact O-OD2 3.14Å
364E91.3Very high80Confident89 Ų8988.8 Ų88.842%0.41644%0.438SS..Hα-helixtrans-53.4-29.8177.5-177-125.1117.800113.7S360 R368S360-E364 WeakPolarHBondContact O-CB 3.35Å; S360-E364 PolarHBondContact O-N 3.14Å; E364-R368 WeakPolarHBondContact O-CG 3.33Å; E364-R368 PolarHBondContact O-N 2.94Å; E364-R368 PolarHBondContact O-NE 3.38Å; E364-R368 IonicContact OE1-CZ 3.69Å; E364-R368 VanDerWaalsContact OE1-CZ 3.3Å; E364-R368 IonicContact OE1-NE 3.63Å; E364-R368 PolarHBondContact OE1-NE 2.98Å; E364-R368 VanDerWaalsContact OE1-NE 3.08Å; E364-R368 IonicContact OE1-NH2 3.35Å; E364-R368 PolarHBondContact OE1-NH2 2.98Å
365K94.6Very high82.7Confident82 Ų8288.2 Ų88.236%0.35743%0.429SS..Hα-helixtrans-82.9-32.3174.7-67.7-176.4-179.1-170.10113.4Y326 K361 I362 R363 A369Y326-K365 HydrophobicContact CD1-CB 3.72Å; Y326-K365 HydrophobicContact CD2-CB 4.09Å; Y326-K365 HydrophobicContact CD2-CD 4.49Å; Y326-K365 HydrophobicContact CE1-CB 3.85Å; Y326-K365 HydrophobicContact CE1-CD 3.93Å; Y326-K365 HydrophobicContact CE2-CB 4.22Å; Y326-K365 HydrophobicContact CE2-CD 3.82Å; Y326-K365 HydrophobicContact CG-CB 3.85Å; Y326-K365 VanDerWaalsContact CZ-CD 3.49Å; K361-K365 WeakPolarHBondContact O-CD 3.22Å; K361-K365 WeakPolarHBondContact O-CG 3.3Å; I362-K365 PolarHBondContact O-N 3.45Å; I362-K365 VanDerWaalsContact O-N 3.16Å; R363-K365 PolarHBondContact O-N 2.67Å; K365-A369 WeakPolarHBondContact O-CB 3.37Å; K365-A369 PolarHBondContact O-N 2.79Å
366V94.9Very high85.3Confident4 Ų481.7 Ų81.72%0.02440%0.396CS..Hα-helixtrans-66.9-47.9169.8174.30000109.7Y326 G327 C328 E338 I362 R363 R368 A369 V370Y326-V366 HydrophobicContact CD1-CG2 4.3Å; G327-V366 WeakPolarHBondContact O-CG1 3.46Å; C328-V366 HydrophobicContact CB-CG1 4.05Å; E338-V366 HydrophobicContact CB-CG1 4.27Å; I362-V366 PolarHBondContact O-N 3.28Å; R363-V366 CarbonylContact O-C 3.59Å; R363-V366 WeakPolarHBondContact O-CA 3.26Å; R363-V366 WeakPolarHBondContact O-CB 3.35Å; R363-V366 PolarHBondContact O-N 3.32Å; V366-R368 VanDerWaalsContact C-N 3.34Å; V366-R368 PolarHBondContact O-N 3.47Å; V366-A369 CarbonylContact O-C 3.56Å; V366-A369 WeakPolarHBondContact O-CA 3.4Å; V366-A369 PolarHBondContact O-N 3.29Å; V366-V370 HydrophobicContact CG1-CG2 4.01Å; V366-V370 WeakPolarHBondContact O-CG2 3.47Å; V366-V370 PolarHBondContact O-N 3.18Å
367D94.8Very high87.6Confident85 Ų8576.7 Ų76.746%0.45536%0.364SS..Hα-helixtrans-55.4-49-179-54.8-29.7000110.6R363 A369 V370 E371R363-D367 VanDerWaalsContact C-OD2 3.29Å; R363-D367 WeakPolarHBondContact CG-OD2 3.32Å; R363-D367 PolarHBondContact O-N 3.09Å; R363-D367 VanDerWaalsContact O-OD2 3.14Å; D367-A369 VanDerWaalsContact C-N 3.33Å; D367-A369 PolarHBondContact O-N 2.87Å; D367-V370 PolarHBondContact O-N 2.84Å; D367-E371 WeakPolarHBondContact O-CB 3.38Å; D367-E371 PolarHBondContact O-N 2.88Å
368R97Very high90.2Very high134 Ų13472.1 Ų72.151%0.50634%0.34SS..Hα-helixtrans-66.1-28.8175.3-70.2-172.2-69.2113-15.6114.1E364 V366 G372E364-R368 WeakPolarHBondContact O-CG 3.33Å; E364-R368 PolarHBondContact O-N 2.94Å; E364-R368 PolarHBondContact O-NE 3.38Å; E364-R368 IonicContact OE1-CZ 3.69Å; E364-R368 VanDerWaalsContact OE1-CZ 3.3Å; E364-R368 IonicContact OE1-NE 3.63Å; E364-R368 PolarHBondContact OE1-NE 2.98Å; E364-R368 VanDerWaalsContact OE1-NE 3.08Å; E364-R368 IonicContact OE1-NH2 3.35Å; E364-R368 PolarHBondContact OE1-NH2 2.98Å; V366-R368 VanDerWaalsContact C-N 3.34Å; V366-R368 PolarHBondContact O-N 3.47Å; R368-G372 PolarHBondContact O-N 3.47Å
369A97.7Very high92.4Very high4 Ų463.2 Ų63.23%0.03331%0.309CS..Hα-helixtrans-78.8-31.6175.400000112.7F303 Y326 K365 V366 D367 A373F303-A369 HydrophobicContact CE1-CB 4.2Å; Y326-A369 WeakPolarHBondContact O-CB 3.44Å; K365-A369 WeakPolarHBondContact O-CB 3.37Å; K365-A369 PolarHBondContact O-N 2.79Å; V366-A369 CarbonylContact O-C 3.56Å; V366-A369 WeakPolarHBondContact O-CA 3.4Å; V366-A369 PolarHBondContact O-N 3.29Å; D367-A369 VanDerWaalsContact C-N 3.33Å; D367-A369 PolarHBondContact O-N 2.87Å; A369-A373 VanDerWaalsContact O-CB 3.27Å; A369-A373 WeakPolarHBondContact O-CB 3.18Å; A369-A373 PolarHBondContact O-N 2.9Å
370V97.9Very high94.3Very high34 Ų3462 Ų6221%0.20630%0.299CS..Hα-helixtrans-70.3-43.3171.7172.60000110.2E315 C328 V366 D367 G372 A373 Q374E315-V370 HydrophobicContact CB-CB 4.5Å; E315-V370 HydrophobicContact CB-CG1 4.16Å; E315-V370 HydrophobicContact CB-CG2 4.11Å; C328-V370 HydrophobicContact CB-CG2 3.83Å; V366-V370 HydrophobicContact CG1-CG2 4.01Å; V366-V370 WeakPolarHBondContact O-CG2 3.47Å; V366-V370 PolarHBondContact O-N 3.18Å; D367-V370 PolarHBondContact O-N 2.84Å; V370-G372 PolarHBondContact O-N 2.83Å; V370-A373 PolarHBondContact O-N 2.84Å; V370-Q374 WeakPolarHBondContact O-CB 3.43Å; V370-Q374 PolarHBondContact O-N 3.39Å
371E98.3Very high95.6Very high131 Ų13162.3 Ų62.361%0.61229%0.287SS*.Hα-helixtrans-57.4-48.1171-171.2-165.3162.700111.3D367 A373 Q374 K375D367-E371 WeakPolarHBondContact O-CB 3.38Å; D367-E371 PolarHBondContact O-N 2.88Å; E371-A373 PolarHBondContact O-N 2.86Å; E371-Q374 PolarHBondContact O-N 2.84Å; E371-K375 WeakPolarHBondContact O-CB 3.35Å; E371-K375 PolarHBondContact O-N 2.95Å
372G98.7Very high96.4Very high19 Ų1959.9 Ų59.920%0.19628%0.278CS..Hα-helixtrans-59-43.2174.300000113.1F303 R368 V370 K375 A376F303-G372 WeakPolarHBondContact CB-O 3.33Å; R368-G372 PolarHBondContact O-N 3.47Å; V370-G372 PolarHBondContact O-N 2.83Å; G372-K375 PolarHBondContact O-N 3.2Å; G372-A376 WeakPolarHBondContact O-CB 3.4Å; G372-A376 PolarHBondContact O-N 2.92Å
373A98.6Very high97Very high0 Ų060 Ų600%028%0.277CS..Hα-helixtrans-64.1-46.1177.100000112.9V305 E315 G316 A369 V370 E371 A376 A377V305-A373 HydrophobicContact CG2-CB 4.07Å; E315-A373 HydrophobicContact CB-CB 4.28Å; G316-A373 VanDerWaalsContact N-CB 3.27Å; A369-A373 VanDerWaalsContact O-CB 3.27Å; A369-A373 WeakPolarHBondContact O-CB 3.18Å; A369-A373 PolarHBondContact O-N 2.9Å; V370-A373 PolarHBondContact O-N 2.84Å; E371-A373 PolarHBondContact O-N 2.86Å; A373-A376 PolarHBondContact O-N 2.68Å; A373-A377 WeakPolarHBondContact O-CB 3.31Å; A373-A377 PolarHBondContact O-N 3.09Å
374Q98.6Very high97.6Very high64 Ų6455.2 Ų55.230%0.29926%0.261SS..Hα-helixtrans-62.1-46.8176178.455.453.400110.5V370 E371 A376 A377 D378 R381V370-Q374 WeakPolarHBondContact O-CB 3.43Å; V370-Q374 PolarHBondContact O-N 3.39Å; E371-Q374 PolarHBondContact O-N 2.84Å; Q374-A376 VanDerWaalsContact C-N 3.35Å; Q374-A376 PolarHBondContact O-N 2.66Å; Q374-A377 CarbonylContact O-C 3.54Å; Q374-A377 WeakPolarHBondContact O-CA 3.3Å; Q374-A377 WeakPolarHBondContact O-CB 3.45Å; Q374-A377 PolarHBondContact O-N 2.77Å; Q374-D378 PolarHBondContact NE2-OD2 2.91Å; Q374-D378 PolarHBondContact O-N 2.84Å; Q374-R381 VanDerWaalsContact NE2-NH2 3.18Å
375K98.8Very high97.9Very high137 Ų13756.8 Ų56.860%0.59627%0.268SS*.Hα-helixtrans-59.5-41.3176-173.6172.8-176.3171.70112.8E371 G372 A377 D378 I379E371-K375 WeakPolarHBondContact O-CB 3.35Å; E371-K375 PolarHBondContact O-N 2.95Å; G372-K375 PolarHBondContact O-N 3.2Å; K375-A377 VanDerWaalsContact C-N 3.32Å; K375-D378 PolarHBondContact O-N 3.22Å; K375-I379 HydrophobicContact CG-CD1 4.33Å; K375-I379 WeakPolarHBondContact O-CG1 3.31Å; K375-I379 PolarHBondContact O-N 2.92Å
376A98.8Very high98.1Very high4 Ų455.6 Ų55.63%0.03327%0.265CS..Hα-helixtrans-66.5-34173.900000112.2Y142 F303 G372 A373 Q374 A380Y142-A376 HydrophobicContact CE1-CB 4.07Å; F303-A376 HydrophobicContact CB-CB 3.72Å; F303-A376 WeakPolarHBondContact O-CB 3.35Å; G372-A376 WeakPolarHBondContact O-CB 3.4Å; G372-A376 PolarHBondContact O-N 2.92Å; A373-A376 PolarHBondContact O-N 2.68Å; Q374-A376 VanDerWaalsContact C-N 3.35Å; Q374-A376 PolarHBondContact O-N 2.66Å; A376-A380 VanDerWaalsContact O-CB 3.24Å; A376-A380 WeakPolarHBondContact O-CB 3.31Å; A376-A380 PolarHBondContact O-N 2.88Å
377A98.8Very high98.3Very high3 Ų355.4 Ų55.43%0.02526%0.264CS..Hα-helixtrans-70.8-33.417400000113.1C292 V305 A373 Q374 K375 R381C292-A377 HydrophobicContact CB-CB 3.63Å; V305-A377 HydrophobicContact CB-CB 4.05Å; V305-A377 HydrophobicContact CG2-CB 3.89Å; A373-A377 WeakPolarHBondContact O-CB 3.31Å; A373-A377 PolarHBondContact O-N 3.09Å; Q374-A377 CarbonylContact O-C 3.54Å; Q374-A377 WeakPolarHBondContact O-CA 3.3Å; Q374-A377 WeakPolarHBondContact O-CB 3.45Å; Q374-A377 PolarHBondContact O-N 2.77Å; K375-A377 VanDerWaalsContact C-N 3.32Å; A377-R381 PolarHBondContact O-N 2.85Å; A377-R381 VanDerWaalsContact O-N 3.08Å; A377-R381 PolarHBondContact O-NE 2.8Å
378D98.8Very high98.4Very high59 Ų5955.8 Ų55.832%0.31627%0.265SS..Hα-helixtrans-65.2-48.4170.2-76.5-62.7000111.6Q374 K375 A380 R381 Q382Q374-D378 PolarHBondContact NE2-OD2 2.91Å; Q374-D378 PolarHBondContact O-N 2.84Å; K375-D378 PolarHBondContact O-N 3.22Å; D378-A380 VanDerWaalsContact C-N 3.3Å; D378-A380 PolarHBondContact O-N 2.89Å; D378-R381 PolarHBondContact O-N 2.88Å; D378-R381 IonicContact OD1-CZ 3.55Å; D378-R381 IonicContact OD1-NH1 2.88Å; D378-R381 PolarHBondContact OD1-NH1 3.15Å; D378-R381 IonicContact OD1-NH2 2.68Å; D378-R381 PolarHBondContact OD1-NH2 3.07Å; D378-R381 IonicContact OD2-NH2 3.3Å; D378-Q382 WeakPolarHBondContact O-CG 3.32Å; D378-Q382 PolarHBondContact O-N 3.04Å; D378-Q382 VanDerWaalsContact O-N 3.08Å
379I98.8Very high98.5Very high45 Ų4553 Ų5323%0.23127%0.266CS..Hα-helixtrans-61.4-41175.6-63164000110.4Y142 K375 R381 Q382 K383Y142-I379 HydrophobicContact CD1-CB 3.93Å; Y142-I379 HydrophobicContact CD1-CG2 3.65Å; Y142-I379 HydrophobicContact CD2-CG2 3.72Å; Y142-I379 HydrophobicContact CE1-CB 4.07Å; Y142-I379 HydrophobicContact CE1-CD1 4.23Å; Y142-I379 HydrophobicContact CE1-CG2 3.9Å; Y142-I379 HydrophobicContact CE2-CG2 3.99Å; Y142-I379 HydrophobicContact CG-CB 4.32Å; Y142-I379 HydrophobicContact CG-CG2 3.55Å; K375-I379 HydrophobicContact CG-CD1 4.33Å; K375-I379 WeakPolarHBondContact O-CG1 3.31Å; K375-I379 PolarHBondContact O-N 2.92Å; I379-R381 PolarHBondContact O-N 3.36Å; I379-Q382 PolarHBondContact O-N 3.32Å; I379-K383 HydrophobicContact CG2-CG 4.3Å; I379-K383 WeakPolarHBondContact O-CG 3.47Å; I379-K383 PolarHBondContact O-N 2.87Å
380A98.8Very high98.5Very high0 Ų057.4 Ų57.40%028%0.282CS..Hα-helixtrans-61.8-39.4176.900000113.1V144 C292 A376 D378 K383 A384V144-A380 HydrophobicContact CG2-CB 4.35Å; C292-A380 HydrophobicContact CB-CB 4.26Å; A376-A380 VanDerWaalsContact O-CB 3.24Å; A376-A380 WeakPolarHBondContact O-CB 3.31Å; A376-A380 PolarHBondContact O-N 2.88Å; D378-A380 VanDerWaalsContact C-N 3.3Å; D378-A380 PolarHBondContact O-N 2.89Å; A380-K383 PolarHBondContact O-N 3.34Å; A380-A384 WeakPolarHBondContact O-CB 3.42Å; A380-A384 PolarHBondContact O-N 2.88Å
381R98.6Very high98.5Very high96 Ų9656.1 Ų56.136%0.36228%0.275SS..Hα-helixtrans-63.9-46.8172.9-82.4177.4-84.1110-2.3112V144 Q374 A377 D378 I379 K383 A384 E385V144-R381 HydrophobicContact CG2-CG 4.22Å; Q374-R381 VanDerWaalsContact NE2-NH2 3.18Å; A377-R381 PolarHBondContact O-N 2.85Å; A377-R381 VanDerWaalsContact O-N 3.08Å; A377-R381 PolarHBondContact O-NE 2.8Å; D378-R381 PolarHBondContact O-N 2.88Å; D378-R381 IonicContact OD1-CZ 3.55Å; D378-R381 IonicContact OD1-NH1 2.88Å; D378-R381 PolarHBondContact OD1-NH1 3.15Å; D378-R381 IonicContact OD1-NH2 2.68Å; D378-R381 PolarHBondContact OD1-NH2 3.07Å; D378-R381 IonicContact OD2-NH2 3.3Å; I379-R381 PolarHBondContact O-N 3.36Å; R381-K383 VanDerWaalsContact C-N 3.27Å; R381-K383 PolarHBondContact O-N 3.2Å; R381-A384 WeakPolarHBondContact O-CA 3.26Å; R381-A384 WeakPolarHBondContact O-CB 3.43Å; R381-A384 PolarHBondContact O-N 2.81Å; R381-E385 WeakPolarHBondContact O-CG 3.32Å; R381-E385 PolarHBondContact O-N 3.34Å
382Q98.6Very high98.5Very high108 Ų10852.6 Ų52.651%0.50527%0.268SS..Hα-helixtrans-59.3-35.7174-66.6173.2-200112.8D378 I379 I386D378-Q382 WeakPolarHBondContact O-CG 3.32Å; D378-Q382 PolarHBondContact O-N 3.04Å; D378-Q382 VanDerWaalsContact O-N 3.08Å; I379-Q382 PolarHBondContact O-N 3.32Å; Q382-I386 WeakPolarHBondContact O-CG1 3.34Å; Q382-I386 PolarHBondContact O-N 3.44Å
383K98.5Very high98.5Very high51 Ų5155.6 Ų55.622%0.22228%0.276CS..Hα-helixtrans-75.1-30.2175-63.9-30.1-169.61720113.1Y119 Q133 I379 A380 R381 I386 A387Y119-K383 HydrophobicContact CE1-CB 4.18Å; Y119-K383 HydrophobicContact CE1-CD 4.01Å; Y119-K383 HydrophobicContact CE1-CG 4.34Å; Y119-K383 PolarHBondContact OH-NZ 2.85Å; Q133-K383 HydrophobicContact CG-CB 4.46Å; Q133-K383 HydrophobicContact CG-CG 4.42Å; I379-K383 HydrophobicContact CG2-CG 4.3Å; I379-K383 WeakPolarHBondContact O-CG 3.47Å; I379-K383 PolarHBondContact O-N 2.87Å; A380-K383 PolarHBondContact O-N 3.34Å; R381-K383 VanDerWaalsContact C-N 3.27Å; R381-K383 PolarHBondContact O-N 3.2Å; K383-I386 HydrophobicContact CD-CD1 4.02Å; K383-A387 WeakPolarHBondContact O-CB 3.5Å; K383-A387 PolarHBondContact O-N 2.82Å
384A98.5Very high98.5Very high10 Ų1055.6 Ų55.68%0.08328%0.276CS..Hα-helixtrans-67.1-41.1170.500000111.7Q131 V144 A380 R381 I386 A387 L388Q131-A384 HydrophobicContact CB-CB 3.67Å; V144-A384 HydrophobicContact CB-CB 4.17Å; V144-A384 HydrophobicContact CG2-CB 3.81Å; A380-A384 WeakPolarHBondContact O-CB 3.42Å; A380-A384 PolarHBondContact O-N 2.88Å; R381-A384 WeakPolarHBondContact O-CA 3.26Å; R381-A384 WeakPolarHBondContact O-CB 3.43Å; R381-A384 PolarHBondContact O-N 2.81Å; A384-I386 PolarHBondContact O-N 2.91Å; A384-A387 CarbonylContact O-C 3.56Å; A384-A387 WeakPolarHBondContact O-CA 3.27Å; A384-A387 WeakPolarHBondContact O-CB 3.19Å; A384-A387 PolarHBondContact O-N 3.22Å; A384-A387 VanDerWaalsContact O-N 3.09Å; A384-L388 WeakPolarHBondContact O-CG 3.48Å; A384-L388 PolarHBondContact O-N 3.44Å
385E98.3Very high98.5Very high123 Ų12355.8 Ų55.858%0.57528%0.278SS*.Hα-helixtrans-59.7-44.2173.4-70.7158.9-159.600111.9R381 A387 L388 S389R381-E385 WeakPolarHBondContact O-CG 3.32Å; R381-E385 PolarHBondContact O-N 3.34Å; E385-A387 VanDerWaalsContact C-N 3.33Å; E385-A387 PolarHBondContact O-N 3.5Å; E385-L388 PolarHBondContact O-N 3.06Å; E385-S389 PolarHBondContact O-N 2.75Å
386I98.4Very high98.5Very high57 Ų5751 Ų5129%0.29227%0.266SS..Hα-helixtrans-62.5-40.7172.5-64.9165.4000110.8Y119 Q382 K383 A384 S389 R390Y119-I386 HydrophobicContact CD1-CB 4.07Å; Y119-I386 HydrophobicContact CD1-CG2 3.62Å; Y119-I386 HydrophobicContact CD2-CG2 4.06Å; Y119-I386 HydrophobicContact CE1-CB 4.02Å; Y119-I386 HydrophobicContact CE1-CD1 4.43Å; Y119-I386 HydrophobicContact CE1-CG2 3.68Å; Y119-I386 HydrophobicContact CE2-CG2 4.13Å; Y119-I386 HydrophobicContact CG-CG2 3.81Å; Q382-I386 WeakPolarHBondContact O-CG1 3.34Å; Q382-I386 PolarHBondContact O-N 3.44Å; K383-I386 HydrophobicContact CD-CD1 4.02Å; A384-I386 PolarHBondContact O-N 2.91Å; I386-S389 PolarHBondContact O-N 2.68Å; I386-R390 HydrophobicContact CG2-CG 4.48Å; I386-R390 WeakPolarHBondContact O-CG 3.17Å; I386-R390 PolarHBondContact O-N 2.67Å
387A98.4Very high98.4Very high0 Ų053.7 Ų53.70%028%0.278CS..Hα-helixtrans-64.2-37.7176.200000112.7Q131 K383 A384 E385 R390 T391Q131-A387 HydrophobicContact CB-CB 4.38Å; K383-A387 WeakPolarHBondContact O-CB 3.5Å; K383-A387 PolarHBondContact O-N 2.82Å; A384-A387 CarbonylContact O-C 3.56Å; A384-A387 WeakPolarHBondContact O-CA 3.27Å; A384-A387 WeakPolarHBondContact O-CB 3.19Å; A384-A387 PolarHBondContact O-N 3.22Å; A384-A387 VanDerWaalsContact O-N 3.09Å; E385-A387 VanDerWaalsContact C-N 3.33Å; E385-A387 PolarHBondContact O-N 3.5Å; A387-R390 PolarHBondContact O-N 2.88Å; A387-T391 VanDerWaalsContact O-CB 3.3Å; A387-T391 WeakPolarHBondContact O-CB 3.38Å; A387-T391 PolarHBondContact O-N 2.79Å; A387-T391 PolarHBondContact O-OG1 2.91Å
388L98.1Very high98.4Very high92 Ų9254 Ų5448%0.48228%0.28SS..Hα-helixtrans-65.7-41.6173.2-69.7171.6000111.7Q131 A384 E385 R390 T391 A392Q131-L388 HydrophobicContact CG-CD2 4.24Å; A384-L388 WeakPolarHBondContact O-CG 3.48Å; A384-L388 PolarHBondContact O-N 3.44Å; E385-L388 PolarHBondContact O-N 3.06Å; L388-R390 PolarHBondContact O-N 2.84Å; L388-T391 WeakPolarHBondContact O-CB 3.09Å; L388-T391 PolarHBondContact O-N 3.29Å; L388-A392 PolarHBondContact O-N 3.26Å
389S98.3Very high98.4Very high75 Ų7557.8 Ų57.852%0.52430%0.295SS..Hα-helixtrans-60.2-42.6173.1176.40000112.4E385 I386 H393E385-S389 PolarHBondContact O-N 2.75Å; I386-S389 PolarHBondContact O-N 2.68Å; S389-H393 PolarHBondContact O-N 2.84Å
390R98.1Very high98.4Very high97 Ų9757.7 Ų57.737%0.36630%0.301SS..Hα-helixtrans-72.6-28.9175.4-60.2-65.6169.4-155.1-10.8112.7Y95 T110 I386 A387 L388 A394Y95-R390 PolarHBondContact OH-NH1 3.32Å; T110-R390 HydrophobicContact CG2-CB 4.5Å; I386-R390 HydrophobicContact CG2-CG 4.48Å; I386-R390 WeakPolarHBondContact O-CG 3.17Å; I386-R390 PolarHBondContact O-N 2.67Å; A387-R390 PolarHBondContact O-N 2.88Å; L388-R390 PolarHBondContact O-N 2.84Å; R390-A394 VanDerWaalsContact O-CB 3.32Å; R390-A394 WeakPolarHBondContact O-CB 3.27Å; R390-A394 PolarHBondContact O-N 3Å
391T98.1Very high98.4Very high8 Ų857.7 Ų57.75%0.04930%0.301CS..Hα-helixtrans-62.5-51.8172.1-63.70000110.4E108 T121 A387 L388 H393 A394 Q395E108-T391 HydrophobicContact CB-CG2 3.72Å; E108-T391 PolarHBondContact O-OG1 3Å; T121-T391 PolarHBondContact OG1-OG1 3.02Å; A387-T391 VanDerWaalsContact O-CB 3.3Å; A387-T391 WeakPolarHBondContact O-CB 3.38Å; A387-T391 PolarHBondContact O-N 2.79Å; A387-T391 PolarHBondContact O-OG1 2.91Å; L388-T391 WeakPolarHBondContact O-CB 3.09Å; L388-T391 PolarHBondContact O-N 3.29Å; T391-H393 VanDerWaalsContact C-N 3.34Å; T391-H393 PolarHBondContact O-N 2.85Å; T391-A394 CarbonylContact O-C 3.59Å; T391-A394 WeakPolarHBondContact O-CB 3.3Å; T391-A394 PolarHBondContact O-N 3.25Å; T391-A394 VanDerWaalsContact O-N 3.09Å; T391-Q395 WeakPolarHBondContact O-CG 3.44Å; T391-Q395 PolarHBondContact O-N 2.86Å
392A98.3Very high98.4Very high57 Ų5755.5 Ų55.547%0.47130%0.299SS..Hα-helixtrans-60.7-40.7178.100000112.7L388 Q395 G396L388-A392 PolarHBondContact O-N 3.26Å; A392-Q395 PolarHBondContact O-N 3.26Å; A392-G396 PolarHBondContact O-N 2.87Å
393H98.3Very high98.4Very high81 Ų8151.6 Ų51.638%0.37529%0.287SS..Hα-helixtrans-66.6-36.3174.2-173.5-89.2000112.6Y95 S389 T391 K397Y95-H393 HydrophobicContact CD1-CB 4.4Å; Y95-H393 AromaticContact CD1-ND1 3.17Å; Y95-H393 WeakPolarHBondContact CD1-ND1 3.36Å; Y95-H393 AromaticContact CD2-CE1 3.3Å; Y95-H393 WeakPolarHBondContact CD2-CE1 3.42Å; Y95-H393 AromaticContact CD2-ND1 3.31Å; Y95-H393 VanDerWaalsContact CD2-ND1 3.31Å; Y95-H393 WeakPolarHBondContact CD2-ND1 3.22Å; Y95-H393 HydrophobicContact CE1-CB 4.24Å; Y95-H393 AromaticContact CE1-CG 4Å; Y95-H393 AromaticContact CE1-ND1 3.27Å; Y95-H393 VanDerWaalsContact CE1-ND1 3.27Å; Y95-H393 WeakPolarHBondContact CE1-ND1 3.27Å; Y95-H393 AromaticContact CE2-CE1 3.35Å; Y95-H393 WeakPolarHBondContact CE2-CE1 3.41Å; Y95-H393 AromaticContact CE2-ND1 3.4Å; Y95-H393 WeakPolarHBondContact CE2-ND1 3Å; Y95-H393 AromaticContact CG-CE1 3.66Å; Y95-H393 AromaticContact CG-ND1 3.18Å; Y95-H393 AromaticContact CZ-CE1 3.77Å; Y95-H393 AromaticContact CZ-ND1 3.38Å; S389-H393 PolarHBondContact O-N 2.84Å; T391-H393 VanDerWaalsContact C-N 3.34Å; T391-H393 PolarHBondContact O-N 2.85Å; H393-K397 WeakPolarHBondContact O-CB 3.43Å; H393-K397 VanDerWaalsContact O-CG 3.27Å; H393-K397 WeakPolarHBondContact O-CG 3.25Å; H393-K397 PolarHBondContact O-N 2.94Å; H393-K397 VanDerWaalsContact O-N 3.12Å
394A98.4Very high98.4Very high0 Ų049.8 Ų49.80%028%0.282CS..Hα-helixtrans-67.9-35.7174.100000112.7Y95 V97 G109 R390 T391 K397 A398Y95-A394 HydrophobicContact CD1-CB 4.49Å; V97-A394 HydrophobicContact CG2-CB 4.47Å; G109-A394 WeakPolarHBondContact O-CB 3.33Å; R390-A394 VanDerWaalsContact O-CB 3.32Å; R390-A394 WeakPolarHBondContact O-CB 3.27Å; R390-A394 PolarHBondContact O-N 3Å; T391-A394 CarbonylContact O-C 3.59Å; T391-A394 WeakPolarHBondContact O-CB 3.3Å; T391-A394 PolarHBondContact O-N 3.25Å; T391-A394 VanDerWaalsContact O-N 3.09Å; A394-K397 PolarHBondContact O-N 3.19Å; A394-A398 WeakPolarHBondContact O-CB 3.49Å; A394-A398 PolarHBondContact O-N 2.86Å
395Q98.3Very high98.4Very high69 Ų6949.5 Ų49.532%0.32228%0.28SS..Hα-helixtrans-63.1-51.7173.4-73167-21.600111.3V97 E108 T391 A392 K397 A398 E399V97-Q395 HydrophobicContact CG2-CG 4.39Å; E108-Q395 PolarHBondContact OE1-NE2 2.97Å; T391-Q395 WeakPolarHBondContact O-CG 3.44Å; T391-Q395 PolarHBondContact O-N 2.86Å; A392-Q395 PolarHBondContact O-N 3.26Å; Q395-K397 PolarHBondContact O-N 3.37Å; Q395-A398 CarbonylContact O-C 3.53Å; Q395-A398 WeakPolarHBondContact O-CA 3.48Å; Q395-A398 WeakPolarHBondContact O-CB 3.3Å; Q395-A398 PolarHBondContact O-N 3.06Å; Q395-E399 WeakPolarHBondContact O-CG 3.32Å; Q395-E399 PolarHBondContact O-N 2.89Å
396G98.4Very high98.4Very high35 Ų3550 Ų5036%0.36128%0.282SS..Hα-helixtrans-60.4-29.6175.900000113.7A392 A400A392-G396 PolarHBondContact O-N 2.87Å; G396-A400 WeakPolarHBondContact O-CB 3.37Å; G396-A400 PolarHBondContact O-N 3.22Å
397K98.5Very high98.4Very high62 Ų6253.9 Ų53.927%0.2730%0.297SS..Hα-helixtrans-75.3-33.3171.8-70.9-74.4179.11490113.1L73 E86 H393 A394 Q395 A401L73-K397 HydrophobicContact CD2-CD 4.26Å; E86-K397 HydrophobicContact CG-CB 4.49Å; E86-K397 HydrophobicContact CG-CD 3.92Å; E86-K397 HydrophobicContact CG-CG 4.38Å; E86-K397 WeakPolarHBondContact OE1-CD 3.16Å; E86-K397 WeakPolarHBondContact OE1-CE 3.32Å; E86-K397 IonicContact OE1-NZ 3.12Å; E86-K397 PolarHBondContact OE1-NZ 2.88Å; H393-K397 WeakPolarHBondContact O-CB 3.43Å; H393-K397 VanDerWaalsContact O-CG 3.27Å; H393-K397 WeakPolarHBondContact O-CG 3.25Å; H393-K397 PolarHBondContact O-N 2.94Å; H393-K397 VanDerWaalsContact O-N 3.12Å; A394-K397 PolarHBondContact O-N 3.19Å; Q395-K397 PolarHBondContact O-N 3.37Å; K397-A401 VanDerWaalsContact O-CB 3.3Å; K397-A401 WeakPolarHBondContact O-CB 3.43Å; K397-A401 PolarHBondContact O-N 3.12Å
398A98.6Very high98.4Very high8 Ų853.9 Ų53.97%0.06630%0.297CS..Hα-helixtrans-68.2-40.1171.600000112.1K84 V97 A394 Q395 A401 V402K84-A398 HydrophobicContact CB-CB 3.58Å; K84-A398 HydrophobicContact CD-CB 4.5Å; K84-A398 WeakPolarHBondContact O-CB 3.34Å; V97-A398 HydrophobicContact CB-CB 3.92Å; V97-A398 HydrophobicContact CG2-CB 3.69Å; A394-A398 WeakPolarHBondContact O-CB 3.49Å; A394-A398 PolarHBondContact O-N 2.86Å; Q395-A398 CarbonylContact O-C 3.53Å; Q395-A398 WeakPolarHBondContact O-CA 3.48Å; Q395-A398 WeakPolarHBondContact O-CB 3.3Å; Q395-A398 PolarHBondContact O-N 3.06Å; A398-A401 WeakPolarHBondContact O-CB 3.44Å; A398-A401 PolarHBondContact O-N 3.35Å; A398-V402 WeakPolarHBondContact O-CG2 3.43Å; A398-V402 PolarHBondContact O-N 2.85Å
399E98.6Very high98.4Very high139 Ų13953.9 Ų53.965%0.6529%0.294SS*.Hα-helixtrans-61.9-48172.8-70.5167.1-173.400111.3Q395 A401 V402 G403Q395-E399 WeakPolarHBondContact O-CG 3.32Å; Q395-E399 PolarHBondContact O-N 2.89Å; E399-A401 VanDerWaalsContact C-N 3.26Å; E399-A401 PolarHBondContact O-N 3.41Å; E399-V402 PolarHBondContact O-N 3.16Å; E399-V402 VanDerWaalsContact O-N 3.13Å; E399-G403 PolarHBondContact O-N 3.16Å
400A98.6Very high98.4Very high43 Ų4354.4 Ų54.436%0.35529%0.289SS..Hα-helixtrans-61.2-34.8174.400000112.4L73 G396 G403 A404L73-A400 HydrophobicContact CD1-CB 3.78Å; G396-A400 WeakPolarHBondContact O-CB 3.37Å; G396-A400 PolarHBondContact O-N 3.22Å; A400-G403 PolarHBondContact O-N 3.16Å; A400-A404 PolarHBondContact O-N 3.48Å
401A98.7Very high98.3Very high0 Ų051.7 Ų51.70%028%0.28CS..Hα-helixtrans-69.5-35.8173.400000113.1L73 V75 G85 K397 A398 E399 G403 A404 A405L73-A401 HydrophobicContact CB-CB 4.42Å; L73-A401 HydrophobicContact CD2-CB 4.45Å; V75-A401 HydrophobicContact CG2-CB 4.32Å; G85-A401 VanDerWaalsContact N-CB 3.34Å; K397-A401 VanDerWaalsContact O-CB 3.3Å; K397-A401 WeakPolarHBondContact O-CB 3.43Å; K397-A401 PolarHBondContact O-N 3.12Å; A398-A401 WeakPolarHBondContact O-CB 3.44Å; A398-A401 PolarHBondContact O-N 3.35Å; E399-A401 VanDerWaalsContact C-N 3.26Å; E399-A401 PolarHBondContact O-N 3.41Å; A401-G403 VanDerWaalsContact C-N 3.35Å; A401-A404 PolarHBondContact O-N 3.13Å; A401-A405 WeakPolarHBondContact O-CB 3.46Å; A401-A405 PolarHBondContact O-N 3.43Å
402V98.6Very high98.3Very high50 Ų5051.6 Ų51.630%0.30328%0.279SS..Hα-helixtrans-63.8-41.2170.4170.20000110.6V75 K84 A398 E399 A404 A405 Q406V75-V402 HydrophobicContact CG2-CG2 4.25Å; K84-V402 HydrophobicContact CD-CG2 3.9Å; K84-V402 HydrophobicContact CG-CG2 4.38Å; A398-V402 WeakPolarHBondContact O-CG2 3.43Å; A398-V402 PolarHBondContact O-N 2.85Å; E399-V402 PolarHBondContact O-N 3.16Å; E399-V402 VanDerWaalsContact O-N 3.13Å; V402-A404 VanDerWaalsContact C-N 3.33Å; V402-A404 PolarHBondContact O-N 3.13Å; V402-A405 PolarHBondContact O-N 3.49Å; V402-Q406 WeakPolarHBondContact O-CG 3.42Å; V402-Q406 PolarHBondContact O-N 3.02Å
403G98.4Very high98.2Very high26 Ų2654.7 Ų54.727%0.26828%0.279SS..Hα-helixtrans-62.3-36.9172.100000113.3E399 A400 A401 K407E399-G403 PolarHBondContact O-N 3.16Å; A400-G403 PolarHBondContact O-N 3.16Å; A401-G403 VanDerWaalsContact C-N 3.35Å; G403-K407 WeakPolarHBondContact O-CG 3.49Å; G403-K407 PolarHBondContact O-N 2.92Å
404A98.4Very high98.1Very high13 Ų1353.6 Ų53.611%0.10728%0.275CS..Hα-helixtrans-67.4-40.6172.700000112.2L73 A400 A401 V402 K407 A408L73-A404 HydrophobicContact CB-CB 3.9Å; A400-A404 PolarHBondContact O-N 3.48Å; A401-A404 PolarHBondContact O-N 3.13Å; V402-A404 VanDerWaalsContact C-N 3.33Å; V402-A404 PolarHBondContact O-N 3.13Å; A404-K407 PolarHBondContact O-N 3.14Å; A404-A408 WeakPolarHBondContact O-CB 3.38Å; A404-A408 PolarHBondContact O-N 3.39Å
405A98.4Very high98Very high5 Ų553.6 Ų53.64%0.04128%0.275CS..Hα-helixtrans-66.1-38.3176.200000112.9Q62 V75 A401 V402 A408 H409Q62-A405 HydrophobicContact CB-CB 3.63Å; Q62-A405 WeakPolarHBondContact O-CB 3.43Å; V75-A405 HydrophobicContact CB-CB 4.02Å; V75-A405 HydrophobicContact CG2-CB 3.71Å; A401-A405 WeakPolarHBondContact O-CB 3.46Å; A401-A405 PolarHBondContact O-N 3.43Å; V402-A405 PolarHBondContact O-N 3.49Å; A405-A408 WeakPolarHBondContact O-CB 3.45Å; A405-A408 PolarHBondContact O-N 3.41Å; A405-H409 PolarHBondContact O-CD2 2.82Å; A405-H409 PolarHBondContact O-N 2.6Å
406Q98.4Very high97.8Very high134 Ų13454.7 Ų54.763%0.62628%0.276SS*.Hα-helixtrans-60.6-45.3172.8-75.3172.4-9.900111.5V402 H409 E410V402-Q406 WeakPolarHBondContact O-CG 3.42Å; V402-Q406 PolarHBondContact O-N 3.02Å; Q406-H409 PolarHBondContact O-N 3.45Å; Q406-E410 PolarHBondContact O-N 2.85Å; Q406-E410 VanDerWaalsContact O-N 3.16Å
407K98.5Very high97.6Very high138 Ų13855.9 Ų55.960%0.628%0.276SS*.Hα-helixtrans-64.6-44.4174-66.3177.9179.9-174.50111.6L50 G403 A404 H409 E410 E411L50-K407 HydrophobicContact CD2-CB 3.92Å; G403-K407 WeakPolarHBondContact O-CG 3.49Å; G403-K407 PolarHBondContact O-N 2.92Å; A404-K407 PolarHBondContact O-N 3.14Å; K407-H409 PolarHBondContact O-N 3.31Å; K407-E410 WeakPolarHBondContact O-CA 3.49Å; K407-E410 WeakPolarHBondContact O-CB 3.42Å; K407-E410 PolarHBondContact O-N 2.96Å; K407-E411 WeakPolarHBondContact O-CG 3.46Å; K407-E411 PolarHBondContact O-N 3.01Å
408A98.3Very high97.3Very high0 Ų053.9 Ų53.90%027%0.269CS..Hα-helixtrans-56-37.8175.200000112.7L50 V52 A404 A405 S412L50-A408 HydrophobicContact CD1-CB 3.87Å; L50-A408 HydrophobicContact CG-CB 4.39Å; V52-A408 HydrophobicContact CG2-CB 4.35Å; A404-A408 WeakPolarHBondContact O-CB 3.38Å; A404-A408 PolarHBondContact O-N 3.39Å; A405-A408 WeakPolarHBondContact O-CB 3.45Å; A405-A408 PolarHBondContact O-N 3.41Å; A408-S412 WeakPolarHBondContact O-CB 3.34Å; A408-S412 PolarHBondContact O-N 3.03Å
409H97.3Very high96.9Very high92 Ų9253.5 Ų53.543%0.42627%0.266SS..Hα-helixtrans-66.2-36.6172.6-92.8-68.4000113.5Q62 A405 Q406 K407 S412 R413Q62-H409 VanDerWaalsContact CD-NE2 3.25Å; Q62-H409 PolarHBondContact OE1-NE2 2.85Å; Q62-H409 VanDerWaalsContact OE1-NE2 3.16Å; A405-H409 PolarHBondContact O-CD2 2.82Å; A405-H409 PolarHBondContact O-N 2.6Å; Q406-H409 PolarHBondContact O-N 3.45Å; K407-H409 PolarHBondContact O-N 3.31Å; H409-S412 WeakPolarHBondContact O-CB 3.32Å; H409-S412 PolarHBondContact O-N 3.43Å; H409-R413 WeakPolarHBondContact O-CB 3.36Å; H409-R413 PolarHBondContact O-N 3.16Å
410E97.9Very high96.5Very high86 Ų8653.6 Ų53.640%0.40226%0.264SS..Hα-helixtrans-71.1-44.2176.5-18062.7179.900111.9Q406 K407 S412 R413 M414Q406-E410 PolarHBondContact O-N 2.85Å; Q406-E410 VanDerWaalsContact O-N 3.16Å; K407-E410 WeakPolarHBondContact O-CA 3.49Å; K407-E410 WeakPolarHBondContact O-CB 3.42Å; K407-E410 PolarHBondContact O-N 2.96Å; E410-S412 PolarHBondContact O-N 2.9Å; E410-R413 WeakPolarHBondContact O-CB 3.39Å; E410-R413 PolarHBondContact O-N 3.01Å; E410-R413 VanDerWaalsContact O-N 3.09Å; E410-R413 IonicContact OE1-CZ 3.87Å; E410-R413 IonicContact OE1-NE 3.84Å; E410-R413 PolarHBondContact OE1-NE 2.97Å; E410-R413 IonicContact OE1-NH2 2.91Å; E410-R413 PolarHBondContact OE1-NH2 2.91Å; E410-R413 IonicContact OE2-CZ 3Å; E410-R413 IonicContact OE2-NE 3.1Å; E410-R413 PolarHBondContact OE2-NE 3.46Å; E410-R413 IonicContact OE2-NH2 3.99Å; E410-M414 WeakPolarHBondContact O-CG 3.38Å; E410-M414 PolarHBondContact O-N 3.27Å
411E97.5Very high96.2Very high40 Ų4058 Ų5819%0.18728%0.277CS..Hα-helixtrans-57-40.3170.1-60.2-69.6106.800110.8S42 L50 K407 M414 A415S42-E411 WeakPolarHBondContact CB-OE2 3.38Å; S42-E411 PolarHBondContact OG-OE2 3.18Å; L50-E411 HydrophobicContact CB-CG 4.25Å; L50-E411 HydrophobicContact CD2-CG 3.87Å; L50-E411 HydrophobicContact CG-CG 3.85Å; L50-E411 WeakPolarHBondContact O-CB 3.39Å; K407-E411 WeakPolarHBondContact O-CG 3.46Å; K407-E411 PolarHBondContact O-N 3.01Å; E411-M414 PolarHBondContact O-N 2.86Å; E411-A415 WeakPolarHBondContact O-CB 3.01Å; E411-A415 PolarHBondContact O-N 3.32Å
412S97.3Very high95.7Very high5 Ų561.3 Ų61.34%0.03529%0.292CS..Hα-helixtrans-65.3-40.8175.1-156.60000112.3C40 A408 H409 E410 A415 R416C40-S412 VanDerWaalsContact CB-OG 3.27Å; C40-S412 WeakPolarHBondContact CB-OG 3.34Å; C40-S412 WeakPolarHBondContact O-CA 3.43Å; C40-S412 WeakPolarHBondContact O-CB 3.39Å; C40-S412 PolarHBondContact O-OG 3.02Å; C40-S412 PolarHBondContact SG-O 2.71Å; C40-S412 PolarHBondContact SG-OG 3.22Å; A408-S412 WeakPolarHBondContact O-CB 3.34Å; A408-S412 PolarHBondContact O-N 3.03Å; H409-S412 WeakPolarHBondContact O-CB 3.32Å; H409-S412 PolarHBondContact O-N 3.43Å; E410-S412 PolarHBondContact O-N 2.9Å; S412-A415 PolarHBondContact O-N 3.14Å; S412-R416 WeakPolarHBondContact O-CG 3.36Å; S412-R416 PolarHBondContact O-N 3.16Å
413R96.8Very high95.2Very high123 Ų12359.6 Ų59.646%0.46428%0.282SS..Hα-helixtrans-61.9-45.4175.1-170.8-171.167.572.21.6110.6H409 E410 R416 V417H409-R413 WeakPolarHBondContact O-CB 3.36Å; H409-R413 PolarHBondContact O-N 3.16Å; E410-R413 WeakPolarHBondContact O-CB 3.39Å; E410-R413 PolarHBondContact O-N 3.01Å; E410-R413 VanDerWaalsContact O-N 3.09Å; E410-R413 IonicContact OE1-CZ 3.87Å; E410-R413 IonicContact OE1-NE 3.84Å; E410-R413 PolarHBondContact OE1-NE 2.97Å; E410-R413 IonicContact OE1-NH2 2.91Å; E410-R413 PolarHBondContact OE1-NH2 2.91Å; E410-R413 IonicContact OE2-CZ 3Å; E410-R413 IonicContact OE2-NE 3.1Å; E410-R413 PolarHBondContact OE2-NE 3.46Å; E410-R413 IonicContact OE2-NH2 3.99Å; R413-R416 PolarHBondContact O-N 3.34Å; R413-V417 PolarHBondContact O-N 3.31Å; R413-V417 VanDerWaalsContact O-N 3.16Å
414M96.6Very high94.3Very high58 Ų5863.8 Ų63.829%0.28631%0.305SS..Hα-helixtrans-63.5-44.2176.4-68.8-59.1-68.300111.6Y27 E410 E411 R416 V417 T418Y27-M414 HydrophobicContact CD1-CB 3.58Å; Y27-M414 HydrophobicContact CD2-CB 4.42Å; Y27-M414 HydrophobicContact CE1-CB 3.82Å; Y27-M414 HydrophobicContact CE1-CG 4.39Å; Y27-M414 HydrophobicContact CG-CB 3.91Å; E410-M414 WeakPolarHBondContact O-CG 3.38Å; E410-M414 PolarHBondContact O-N 3.27Å; E411-M414 PolarHBondContact O-N 2.86Å; M414-R416 VanDerWaalsContact C-N 3.29Å; M414-R416 PolarHBondContact O-N 2.94Å; M414-V417 WeakPolarHBondContact O-CB 3.4Å; M414-V417 PolarHBondContact O-N 2.85Å; M414-T418 PolarHBondContact O-N 3.25Å; M414-T418 PolarHBondContact O-OG1 2.93Å
415A95.8Very high93.1Very high0 Ų067.9 Ų67.90%033%0.333CS..Hα-helixtrans-57-38173.600000113.3I29 E411 S412 A419I29-A415 HydrophobicContact CG1-CB 4.38Å; E411-A415 WeakPolarHBondContact O-CB 3.01Å; E411-A415 PolarHBondContact O-N 3.32Å; S412-A415 PolarHBondContact O-N 3.14Å; A415-A419 VanDerWaalsContact O-CB 3.25Å; A415-A419 WeakPolarHBondContact O-CB 3.13Å; A415-A419 PolarHBondContact O-N 3.35Å
416R94.3Very high91.6Very high91 Ų9168.7 Ų68.734%0.34334%0.335SS..Hα-helixtrans-71.3-26.5174.2-64.5-177-161.4-76.8-1.3114.1I29 E38 C40 S412 R413 M414 K420I29-R416 HydrophobicContact CD1-CG 3.86Å; E38-R416 VanDerWaalsContact CD-NH1 3.27Å; E38-R416 IonicContact OE1-CZ 3.97Å; E38-R416 VanDerWaalsContact OE1-CZ 3.22Å; E38-R416 IonicContact OE1-NH1 3.56Å; E38-R416 PolarHBondContact OE1-NH1 2.81Å; E38-R416 IonicContact OE1-NH2 3.66Å; E38-R416 PolarHBondContact OE1-NH2 3.11Å; E38-R416 IonicContact OE2-CZ 3.83Å; E38-R416 IonicContact OE2-NH1 2.69Å; E38-R416 PolarHBondContact OE2-NH1 2.79Å; C40-R416 VanDerWaalsContact SG-CG 3.53Å; C40-R416 VanDerWaalsContact SG-CZ 3.52Å; S412-R416 WeakPolarHBondContact O-CG 3.36Å; S412-R416 PolarHBondContact O-N 3.16Å; R413-R416 PolarHBondContact O-N 3.34Å; M414-R416 VanDerWaalsContact C-N 3.29Å; M414-R416 PolarHBondContact O-N 2.94Å; R416-K420 WeakPolarHBondContact O-CD 3.25Å; R416-K420 VanDerWaalsContact O-CG 3.26Å; R416-K420 WeakPolarHBondContact O-CG 3.36Å; R416-K420 PolarHBondContact O-N 2.81Å
417V93.8Very high89.7Confident61 Ų6170.9 Ų70.937%0.3735%0.346SS..Hα-helixtrans-74.2-49.8171.2174.80000110.1R413 M414 A419 K420 Q421R413-V417 PolarHBondContact O-N 3.31Å; R413-V417 VanDerWaalsContact O-N 3.16Å; M414-V417 WeakPolarHBondContact O-CB 3.4Å; M414-V417 PolarHBondContact O-N 2.85Å; V417-A419 PolarHBondContact O-N 3.38Å; V417-K420 PolarHBondContact O-N 3.22Å; V417-Q421 WeakPolarHBondContact O-CG 3.22Å; V417-Q421 PolarHBondContact O-N 3.44Å; V417-Q421 VanDerWaalsContact O-N 3.07Å
418T92.4Very high87.7Confident19 Ų1966.6 Ų66.612%0.11733%0.327CS..Hα-helixtrans-61.9-42.6-179.8-61.20000112.5Y27 M414 K420 Q421 F422Y27-T418 WeakPolarHBondContact O-CG2 3.47Å; M414-T418 PolarHBondContact O-N 3.25Å; M414-T418 PolarHBondContact O-OG1 2.93Å; T418-K420 PolarHBondContact O-N 3.36Å; T418-Q421 WeakPolarHBondContact O-CB 3.48Å; T418-Q421 PolarHBondContact O-N 3.46Å; T418-F422 HydrophobicContact CG2-CD2 3.77Å; T418-F422 HydrophobicContact CG2-CE2 3.35Å; T418-F422 HydrophobicContact CG2-CZ 4.31Å; T418-F422 WeakPolarHBondContact O-CD2 3.49Å; T418-F422 PolarHBondContact O-N 2.95Å; T418-F422 VanDerWaalsContact O-N 3.1Å
419A91.1Very high85.4Confident1 Ų172 Ų721%0.00836%0.362CS..Hα-helixtrans-62.9-40175.800000112.6C16 I29 A415 V417 Q421 F422 S423 F426C16-A419 HydrophobicContact CB-CB 4.07Å; C16-A419 PolarHBondContact SG-O 3.05Å; I29-A419 HydrophobicContact CD1-CB 3.72Å; I29-A419 HydrophobicContact CG1-CB 3.82Å; A415-A419 VanDerWaalsContact O-CB 3.25Å; A415-A419 WeakPolarHBondContact O-CB 3.13Å; A415-A419 PolarHBondContact O-N 3.35Å; V417-A419 PolarHBondContact O-N 3.38Å; A419-Q421 VanDerWaalsContact C-N 3.3Å; A419-Q421 PolarHBondContact O-N 3.06Å; A419-F422 PolarHBondContact O-N 3.49Å; A419-S423 PolarHBondContact O-N 3.04Å; A419-F426 HydrophobicContact CB-CD1 4.17Å; A419-F426 HydrophobicContact CB-CE1 4.31Å
420K90.1Very high82.8Confident141 Ų14170.5 Ų70.561%0.61337%0.373SS*.Hα-helixtrans-65.5-30.3174.5-75.6177.2178.8-172.70113.2R416 V417 T418 S423 P424R416-K420 WeakPolarHBondContact O-CD 3.25Å; R416-K420 VanDerWaalsContact O-CG 3.26Å; R416-K420 WeakPolarHBondContact O-CG 3.36Å; R416-K420 PolarHBondContact O-N 2.81Å; V417-K420 PolarHBondContact O-N 3.22Å; T418-K420 PolarHBondContact O-N 3.36Å; K420-S423 CarbonylContact O-C 3.5Å; K420-P424 VanDerWaalsContact O-CA 3.29Å; K420-P424 WeakPolarHBondContact O-CA 3.38Å; K420-P424 WeakPolarHBondContact O-CG 3.38Å
421Q91.1Very high80.2Confident134 Ų13469.3 Ų69.363%0.62637%0.369SS*.Hα-helixtrans-70.1-43174.3-70.8169.3-15.300111.7V417 T418 A419V417-Q421 WeakPolarHBondContact O-CG 3.22Å; V417-Q421 PolarHBondContact O-N 3.44Å; V417-Q421 VanDerWaalsContact O-N 3.07Å; T418-Q421 WeakPolarHBondContact O-CB 3.48Å; T418-Q421 PolarHBondContact O-N 3.46Å; A419-Q421 VanDerWaalsContact C-N 3.3Å; A419-Q421 PolarHBondContact O-N 3.06Å
422F89.1Confident77.5Confident70 Ų7071.4 Ų71.431%0.30740%0.401SS..Hα-helixtrans-79.1-22.4179.2-65.4-47.4000114.3G17 T418 A419G17-F422 WeakPolarHBondContact O-CD2 3.43Å; T418-F422 HydrophobicContact CG2-CD2 3.77Å; T418-F422 HydrophobicContact CG2-CE2 3.35Å; T418-F422 HydrophobicContact CG2-CZ 4.31Å; T418-F422 WeakPolarHBondContact O-CD2 3.49Å; T418-F422 PolarHBondContact O-N 2.95Å; T418-F422 VanDerWaalsContact O-N 3.1Å; A419-F422 PolarHBondContact O-N 3.49Å
423S86.8Confident74.7Confident15 Ų1576.9 Ų76.911%0.10543%0.428CS..  trans-149.488175.7-166.90000110.3A419 K420 S425 F426A419-S423 PolarHBondContact O-N 3.04Å; K420-S423 CarbonylContact O-C 3.5Å; S423-S425 PolarHBondContact O-N 3.29Å; S423-F426 WeakPolarHBondContact O-CB 3.29Å; S423-F426 PolarHBondContact O-N 3.39Å
424P81.4Confident71.4Confident113 Ų11379.5 Ų79.573%0.73445%0.445SS*.THydrogen-bonded Turntrans-62.3-27-177.8-26.235.3000114.3K420 F426K420-P424 VanDerWaalsContact O-CA 3.29Å; K420-P424 WeakPolarHBondContact O-CA 3.38Å; K420-P424 WeakPolarHBondContact O-CG 3.38Å; P424-F426 PolarHBondContact O-N 2.84Å
425S72.2Confident68.6Low100 Ų10083 Ų8370%0.69947%0.47SS*.THydrogen-bonded Turntrans-80.94.3173.753.30000114S423 Q427S423-S425 PolarHBondContact O-N 3.29Å; S425-Q427 PolarHBondContact O-N 3.28Å
426F67.1Low65.3Low22 Ų2291.3 Ų91.310%0.09651%0.508CS..  trans-76.769.9179.5-164.7-126.2000111.9C16 I29 A419 S423 P424 H428C16-F426 HydrophobicContact CB-CD1 4.04Å; C16-F426 HydrophobicContact CB-CE1 3.55Å; C16-F426 HydrophobicContact CB-CE2 4.35Å; C16-F426 HydrophobicContact CB-CZ 3.71Å; I29-F426 HydrophobicContact CB-CE1 4.47Å; I29-F426 HydrophobicContact CD1-CE1 4.26Å; A419-F426 HydrophobicContact CB-CD1 4.17Å; A419-F426 HydrophobicContact CB-CE1 4.31Å; S423-F426 WeakPolarHBondContact O-CB 3.29Å; S423-F426 PolarHBondContact O-N 3.39Å; P424-F426 PolarHBondContact O-N 2.84Å; F426-H428 AromaticContact CE1-CE1 3.69Å; F426-H428 AromaticContact CE1-NE2 3.77Å; F426-H428 AromaticContact CE2-CD2 3.83Å; F426-H428 AromaticContact CE2-NE2 3.63Å; F426-H428 AromaticContact CZ-CD2 3.62Å; F426-H428 AromaticContact CZ-CE1 3.44Å; F426-H428 VanDerWaalsContact CZ-CE1 3.44Å; F426-H428 WeakPolarHBondContact CZ-CE1 3.26Å; F426-H428 AromaticContact CZ-NE2 3.09Å; F426-H428 WeakPolarHBondContact CZ-NE2 3.45Å; F426-H428 PolarHBondContact O-N 3.09Å
427Q57.7Low62.2Low180 Ų18097.6 Ų97.684%0.84153%0.532SS*.  trans-75.895.1160-62.5-177.66.900107.9S425S425-Q427 PolarHBondContact O-N 3.28Å
428H56.8Low59.1Low47 Ų47100.7 Ų100.722%0.21855%0.553CS.*  trans-61.4131.9155.3-88.8168.1000108.2T31 E38 F426 G430T31-H428 VanDerWaalsContact CG2-CE1 3.43Å; T31-H428 WeakPolarHBondContact CG2-CE1 3.43Å; T31-H428 WeakPolarHBondContact CG2-NE2 3.49Å; E38-H428 IonicContact OE2-CE1 3.48Å; E38-H428 PolarHBondContact OE2-CE1 3.33Å; E38-H428 IonicContact OE2-CG 2.66Å; E38-H428 IonicContact OE2-ND1 3.23Å; E38-H428 PolarHBondContact OE2-ND1 3.4Å; F426-H428 AromaticContact CE1-CE1 3.69Å; F426-H428 AromaticContact CE1-NE2 3.77Å; F426-H428 AromaticContact CE2-CD2 3.83Å; F426-H428 AromaticContact CE2-NE2 3.63Å; F426-H428 AromaticContact CZ-CD2 3.62Å; F426-H428 AromaticContact CZ-CE1 3.44Å; F426-H428 VanDerWaalsContact CZ-CE1 3.44Å; F426-H428 WeakPolarHBondContact CZ-CE1 3.26Å; F426-H428 AromaticContact CZ-NE2 3.09Å; F426-H428 WeakPolarHBondContact CZ-NE2 3.45Å; F426-H428 PolarHBondContact O-N 3.09Å; H428-G430 VanDerWaalsContact C-N 3.31Å; H428-G430 PolarHBondContact O-N 3.16Å
429P50.3Low56.1Low113 Ų113109.1 Ų109.173%0.73459%0.588SS**  trans-64.197.7160.1-11.426.9000107N431P429-N431 PolarHBondContact O-N 2.97Å
430G42.8Very low53.2Low62 Ų62120.5 Ų120.564%0.63963%0.631SS**  trans-56.7125.9173.700000108.8H428 G432H428-G430 VanDerWaalsContact C-N 3.31Å; H428-G430 PolarHBondContact O-N 3.16Å; G430-G432 VanDerWaalsContact C-N 3.28Å; G430-G432 PolarHBondContact O-N 3.33Å
431N44.2Very low50.1Low61 Ų61122 Ų12233%0.32664%0.64SS.*  trans-51.470.1-159.6-64.6-6000116.5P429 M433P429-N431 PolarHBondContact O-N 2.97Å; N431-M433 PolarHBondContact O-N 2.9Å
432G39.4Very low47.2Very low84 Ų84122.1 Ų122.187%0.86665%0.65SS**SBendtrans61.8-12.2177.500000116.8G430G430-G432 VanDerWaalsContact C-N 3.28Å; G430-G432 PolarHBondContact O-N 3.33Å
433M38.2Very low44.3Very low119 Ų119122.8 Ų122.859%0.58666%0.663SS**  trans-131.990.9-166.1-66.8-168.8-72.200111N431 V435N431-M433 PolarHBondContact O-N 2.9Å; M433-V435 PolarHBondContact O-N 3.23Å
434E29.2Very low41.5Very low178 Ų178126.9 Ų126.983%0.83269%0.692SS**  trans-56.6116.8150.9-178.8177.7-137.800107.7Q436E434-Q436 PolarHBondContact O-N 3.26Å
435V36.6Very low39.1Very low133 Ų133129.9 Ų129.981%0.80670%0.696SS**  trans-67.5100.7177.2177.10000107.6M433 R437M433-V435 PolarHBondContact O-N 3.23Å; V435-R437 VanDerWaalsContact C-N 3.33Å; V435-R437 PolarHBondContact O-N 2.9Å
436Q26.3Very low37.2Very low173 Ų173131.8 Ų131.881%0.80870%0.704SS**  trans-60.297.6175.5-72.9-168.24.900109.7E434 P438E434-Q436 PolarHBondContact O-N 3.26Å; Q436-P438 WeakPolarHBondContact O-CD 3.42Å
437R29.8Very low35.5Very low224 Ų224139.8 Ų139.885%0.84574%0.741SS**  trans-50.6121.5168.3-171.2-179.9-166.9169.33.5107.5V435 K439V435-R437 VanDerWaalsContact C-N 3.33Å; V435-R437 PolarHBondContact O-N 2.9Å; R437-K439 PolarHBondContact O-N 2.94Å
438P29.6Very low34.1Very low125 Ų125134.9 Ų134.981%0.81274%0.738SS**  trans-55.5107-172.5-29.736000111.9Q436 R440Q436-P438 WeakPolarHBondContact O-CD 3.42Å; P438-R440 PolarHBondContact O-N 2.97Å; P438-R440 VanDerWaalsContact O-N 3.15Å
439K29.3Very low32.9Very low196 Ų196142.5 Ų142.585%0.85277%0.774SS**  trans-66.6112.8170.6-76.3-174.5176.3-179.50107R437 Q441R437-K439 PolarHBondContact O-N 2.94Å; K439-Q441 PolarHBondContact O-N 3.4Å
440R29Very low31.9Very low240 Ų240140.6 Ų140.691%0.90678%0.776SS**  trans-59.1107.2162.8-94.6-177.6162.2-174.9-6.1107.4P438 V442P438-R440 PolarHBondContact O-N 2.97Å; P438-R440 VanDerWaalsContact O-N 3.15Å; R440-V442 PolarHBondContact O-N 3.29Å
441Q25.3Very low31.3Very low172 Ų172145.9 Ų145.980%0.80479%0.788SS**  trans-68.3113.3160.8-74.7178.7-83.300107.8K439K439-Q441 PolarHBondContact O-N 3.4Å
442V29.6Very low30.6Very low138 Ų138148 Ų14884%0.83681%0.808SS**  trans-109.9117.2149.5177.90000103.5R440R440-V442 PolarHBondContact O-N 3.29Å
443S28.1Very low30.1Very low83 Ų83148.7 Ų148.758%0.5880%0.799SS**  trans-130106.5-167-70.30000111.3
444S28Very low29.8Very low102 Ų102148.1 Ų148.171%0.71381%0.807SS**  trans-167.8105.7153.353.10000104
445E31.2Very low29.9Very low175 Ų175144.8 Ų144.882%0.81881%0.81SS**  57.7119.470.5-57.7172.9-171.300108.9
446V32.3Very low29.4Very low141 Ų141142 Ų14286%0.85581%0.808SS**  -126.4171.964.7179.20000114
447E31Very low29.6Very low190 Ų190140.4 Ų140.489%0.88881%0.811SS**  trans-80170.4-168.4-55.4158.3124.200115.8
448G29.2Very low29.7Very low76 Ų76134 Ų13478%0.78481%0.806SS**  trans178122.1167.800000112.4
449E31.6Very low29.6Very low207 Ų207137.3 Ų137.397%0.96781%0.81SS**  trans-82.8157.7-178.5-54.9-174.4124.600112.9
450G28.4Very low29.6Very low74 Ų74133.4 Ų133.476%0.76381%0.807SS**  trans159.380.8167.200000119.3
451L30.8Very low30.4Very low173 Ų173126.9 Ų126.991%0.90680%0.796SS**  trans24.1123.9142.6-61.5173.2000122.5
452S29.6Very low30.6Very low106 Ų106125.6 Ų125.674%0.74180%0.795SS**  93.8136.7125.1-1600000123.7
453S30Very low30.5Very low97 Ų97126.7 Ų126.768%0.67880%0.795SS**  trans66.7107.1140.851.60000123.7
454S30.3Very low30.5Very low108 Ų108133.1 Ų133.176%0.75581%0.808SS**  62.4115.7124.766.70000123.1
455A31.1Very low30.5Very low108 Ų108133.7 Ų133.789%0.89381%0.808SS**  47.2128.5124.300000121.7
456G27.6Very low30.3Very low75 Ų75134 Ų13477%0.77381%0.806SS**  trans167.5119.2160.200000115.8
457T30.1Very low30.1Very low139 Ų139131.7 Ų131.785%0.85380%0.797SS**  trans-19.9127160.4360000120.1
458A31.7Very low30.1Very low90 Ų90129.4 Ų129.474%0.74480%0.795SS**  62.9159.911500000123.3
459E27.8Very low30.1Very low194 Ų194129.2 Ų129.291%0.90779%0.793SS**  trans82.5134.7168.4-52.9-155.4114.500119.9
460S29Very low30Very low113 Ų113123.9 Ų123.979%0.7978%0.779SS**  trans-104.1177.6165.7-57.30000107.5
461P45.8Very low30.2Very low104 Ų104127.6 Ų127.668%0.67578%0.781SS**  cis-141.8178.310.344.7-26.5000117.3
462D28.8Very low30.2Very low145 Ų145125.7 Ų125.778%0.77577%0.772SS**  trans62.5160.9145.7-66.9-33000123.4
463L29.1Very low31.1Very low161 Ų161126.3 Ų126.384%0.84377%0.773SS**  trans72.398.3166.3-51.1-171.9000118.7
464Y26.3Very low31.4Very low217 Ų217126.2 Ų126.285%0.85177%0.773SS**  trans-105.5133.2155.5-174.4-92.8000109.8
465T28.2Very low31.7Very low114 Ų114127.1 Ų127.170%0.69977%0.769SS**  trans-141.3136.2178.861.70000113
466K28.2Very low31.8Very low181 Ų181128.1 Ų128.179%0.78776%0.759SS**  trans61.8158.6164.9-79.9-166.9170.2-177.10117.6
467S27.8Very low32.2Very low94 Ų94128.8 Ų128.866%0.65776%0.757SS**  cis-168.8143.1-27.646.10000108.3
468V29.7Very low32.4Very low142 Ų142126.8 Ų126.886%0.86176%0.755SS**  162.8151.3103.2161.80000104.1
469G29.6Very low32.5Very low71 Ų71128.9 Ų128.973%0.73276%0.759SS**  cis171.3-174.43.100000106.9
470S30.6Very low33.3Very low96 Ų96125.2 Ų125.267%0.67175%0.752SS**  cis-154.5178.9-8.248.20000108.3
471D31.3Very low33.4Very low152 Ų152126.2 Ų126.281%0.81375%0.748SS**  trans73.292.7159.7-46-47.9000119.4
472D30.9Very low32.8Very low133 Ų133128.6 Ų128.671%0.71175%0.754SS**  trans-89148.2157.3179.650.5000109.2
473P49.8Very low33.2Very low119 Ų119126.8 Ų126.877%0.77375%0.753SS**  -139.8167.590.816.27.8000113.6
474S35.7Very low33.7Very low95 Ų95125 Ų12566%0.66475%0.751SS**  cis-161.3140.3-5.245.10000108
475N36.2Very low34.2Very low126 Ų126120.5 Ų120.567%0.67475%0.749SS**  61.9139.583-117.338.1000114.5
476D33.9Very low34.4Very low129 Ų129120.5 Ų120.569%0.6975%0.754SS**  cis-138143.617.2-94.4-80.1000110.9
477A35.8Very low34.7Very low89 Ų89117.8 Ų117.874%0.73676%0.757SS**  68.1142.983.600000115.5
478A33.3Very low35.2Very low97 Ų97118.3 Ų118.380%0.80276%0.761SS**  cis-146.6-175.716.500000115.3
479T34.4Very low36.1Very low135 Ų135117.3 Ų117.383%0.82876%0.757SS**  trans-83.4179.5-170.837.30000114.2
480P45.8Very low36.7Very low116 Ų116120 Ų12075%0.75376%0.762SS**  cis-148.6171.624.545.6-24.9000121.8
481D29.5Very low37.1Very low134 Ų134124.6 Ų124.672%0.71777%0.773SS**  trans54.4114.1143.1-160.729.5000122.3
482L34.5Very low37.4Very low154 Ų154123.5 Ų123.581%0.80677%0.772SS**  178.4161.7112.7-91.7172.1000112.6
483S35.6Very low38.2Very low107 Ų107122.9 Ų122.975%0.74878%0.775SS**PPolyproline II helixtrans-67.4153.2-167.2-58.60000116.6
484P39.8Very low38.3Very low123 Ų123123 Ų12380%0.79978%0.775SS**PPolyproline II helixtrans-89.9142.2-166.334.4-36.6000116.1
485P36.8Very low38.8Very low123 Ų123124.1 Ų124.180%0.79978%0.78SS**PPolyproline II helixtrans-89.1168.3160.635.7-32.9000112.7
486S32.3Very low39.1Very low115 Ų115124.4 Ų124.480%0.80479%0.789SS**PPolyproline II helixtrans-70.4140.7-173.553.80000115.3
487S36.3Very low39.2Very low123 Ų123123 Ų12386%0.8680%0.795SS**PPolyproline II helixtrans-82.2142173.850.80000113.4
488S37.6Very low39.1Very low106 Ų106130.4 Ų130.474%0.74180%0.804SS**  trans-120153.5172.7-65.60000110.5
489P48.1Very low39.3Very low121 Ų121132 Ų13279%0.78681%0.807SS**PPolyproline II helixtrans-71.2163.3177.229.3-34.9000113.6
490P43.3Very low39.3Very low128 Ų128131.2 Ų131.283%0.83181%0.806SS**PPolyproline II helixtrans-81170.9-161.231.7-37.6000116.9
491H37.7Very low38.7Very low192 Ų192135.1 Ų135.189%0.88982%0.815SS**PPolyproline II helixtrans-78.6155.9-164.8-65.2-95.8000117
492T37.8Very low38.8Very low129 Ų129140.8 Ų140.879%0.79183%0.826SS**  trans-113.7148.2159.952.90000111.3
493P47.1Very low38.6Very low120 Ų120137.9 Ų137.978%0.77982%0.819SS**PPolyproline II helixtrans-75.9160.2-178.231-36000114.4
494P52.9Low38.4Very low121 Ų121141.7 Ų141.779%0.78682%0.822SS**PPolyproline II helixtrans-88.8160.8-172.135.4-37.1000115.3
495P45.3Very low37.8Very low118 Ų118141.4 Ų141.477%0.76682%0.823SS**PPolyproline II helixtrans-87.6159.3178.935.8-36.3000114.4
496P42.7Very low37.4Very low132 Ų132140.6 Ų140.686%0.85783%0.827SS**PPolyproline II helixtrans-77.9153.5179.231.9-35.8000114.2
497A36.1Very low37.2Very low100 Ų100145.5 Ų145.583%0.82683%0.827SS**PPolyproline II helixtrans-90.4159.6-172.300000115.1
498R33.4Very low36.7Very low244 Ų244147 Ų14792%0.92182%0.818SS**PPolyproline II helixtrans-89.1147.1170.4-87.1-173.1171.1-148-1.2112.2
499P39Very low36.2Very low131 Ų131150 Ų15085%0.85182%0.821SS**PPolyproline II helixtrans-66149172.1-19.933000113.5
500S34.7Very low35.2Very low118 Ų118155.3 Ų155.383%0.82583%0.825SS**PPolyproline II helixtrans-91.4154.5179.152.60000113
501Q32.4Very low34.5Very low199 Ų199157.9 Ų157.993%0.9383%0.826SS**PPolyproline II helixtrans-91.5147.6165.6-74-163.8-11.800111.3
502R30.5Very low34.2Very low252 Ų252154.2 Ų154.295%0.95182%0.822SS**  trans-138150.7160.4-163.8174.9-178.3-154.7-0.2109.3
503S30.7Very low33.9Very low93 Ų93152.4 Ų152.465%0.6582%0.82SS**  trans-125.6146.6-162.953.50000113.8
504K31.8Very low33.3Very low188 Ų188153.1 Ų153.182%0.81782%0.822SS**  154.4135.4122.3-84178179.5-178.20114.1
505S27.7Very low32.4Very low117 Ų117153.5 Ų153.582%0.81882%0.818SS**  trans48117.3144.662.20000122.7
506A28.1Very low32Very low106 Ų106156.3 Ų156.388%0.87682%0.82SS**  trans-156.3172.1137.600000110.2
507R27.5Very low31.5Very low218 Ų218153 Ų15382%0.82381%0.81SS**  trans-124.9163.4-178.3-67.9178.9170.4174.4-6.9112.7
508F27.1Very low31.4Very low153 Ų153155 Ų15567%0.67181%0.806SS**  trans81.7125.4149.5-73.7-59.7000122.9
509H26.6Very low31.6Very low171 Ų171154.5 Ų154.579%0.79281%0.805SS**  trans53124.5141.2-65.5-19.4000122.7
510R27.8Very low31.4Very low232 Ų232151.1 Ų151.188%0.87579%0.794SS**  171.3113.6102.1-161.5174.9-155.5-170.35.5109.4
511Q28.3Very low31.5Very low181 Ų181153.9 Ų153.985%0.84679%0.791SS**  79.394.372.8-122.3-173.71.500117.1
512S30.2Very low31.7Very low115 Ų115150.4 Ų150.480%0.80478%0.779SS**  trans-169122.7147.639.40000106.7
513A33.2Very low32Very low92 Ų92144.3 Ų144.376%0.7678%0.775SS**  68.5123.465.300000112.1
514V33Very low32Very low135 Ų135142.9 Ų142.982%0.81878%0.775SS**  cis-128.7-156.28-128.30000110.1
515D33.7Very low32.1Very low129 Ų129141 Ų14169%0.6977%0.769SS**  cis-150.9-14313.4-155.973.5000112.9
516H36.8Very low32.4Very low177 Ų177143.9 Ų143.982%0.81977%0.767SS**  trans-98.3164.7-170.5-73.3-61.8000115.6
517G32.6Very low32.5Very low63 Ų63142.5 Ų142.565%0.64976%0.763SS**  cis178.7-168.9000000115.6
518D35.1Very low32.6Very low140 Ų140135.9 Ų135.975%0.74976%0.762SS**  trans58.7114.8-173-93.516.5000117.3
519R37.2Very low32.8Very low234 Ų234135.6 Ų135.688%0.88376%0.763SS**  cis83.5135.746.3-68.7179.5174.7167.9-3.4113.2
520G34.8Very low33.2Very low61 Ų61137.9 Ų137.963%0.62977%0.765SS**  cis-149.2159.2-1.500000112
521K37.4Very low33.3Very low176 Ų176130.3 Ų130.377%0.76576%0.759SS**  76.8139.593.5-74-166.9139.3-67.90113.8
522D36.5Very low33.7Very low125 Ų125130.2 Ų130.267%0.66876%0.758SS**  cis-155.7158.9-10.4-75.6-46.7000105.8
523S35.5Very low33.8Very low124 Ų124130.7 Ų130.787%0.86776%0.756SS**  cis-135.3-130.6-756.90000108.3
524G31.6Very low33.6Very low63 Ų63135.7 Ų135.765%0.64976%0.764SS**  cis134.2146.4-3.700000112.6
525E34.1Very low33.6Very low150 Ų150136 Ų13670%0.70176%0.76SS**  cis-167.3156.2-17.1-151.8-150.4142.700110.6
526K33.1Very low33.2Very low176 Ų176139.2 Ų139.277%0.76577%0.77SS**  trans69144.6168.2-57.7163.9174.7115.40118
527G30.4Very low32.9Very low77 Ų77136.4 Ų136.479%0.79477%0.766SS**  cis160.9124-14.500000115.4
528G30.3Very low32.8Very low79 Ų79140.7 Ų140.781%0.81477%0.773SS**  trans71.9168.6169.200000116.5
529E31.7Very low32.6Very low148 Ų148140.9 Ų140.969%0.69277%0.771SS**  cis-157.9157.1-26.3-133.5-161.514400109.4
530R33.9Very low32.4Very low219 Ų219137.9 Ų137.983%0.82677%0.767SS**  trans22.7136163.7-52.2179.5-151.5-177.213121.6
531G31Very low32.2Very low73 Ų73138.6 Ų138.675%0.75378%0.775SS**  trans166.5140151.700000113.5
532H34.7Very low31.8Very low179 Ų179134.4 Ų134.483%0.82978%0.781SS**  trans-130.3140.7175.7-114.3-109.5000110.6
533T34.2Very low31.4Very low124 Ų124132 Ų13276%0.76179%0.786SS**  trans51117.4156.855.30000119.8
534E28.2Very low31.1Very low197 Ų197136 Ų13692%0.92179%0.791SS**  -153.4-176.6112.1-132.5-175.6159.800112.5
535I32.7Very low31Very low143 Ų143136.5 Ų136.573%0.73380%0.796SS**  trans-115.5147.2-172.4-63.8165.1000109V537I535-V537 HydrophobicContact CG2-CG2 4.16Å
536Q26.5Very low30.8Very low195 Ų195133.1 Ų133.191%0.91180%0.802SS**  trans-145.2159.3155-129.1170.916.900113.5
537V30.4Very low30.6Very low119 Ų119131.1 Ų131.172%0.72180%0.804SS**  trans-144.1152.7-167.1-160.70000107.9I535I535-V537 HydrophobicContact CG2-CG2 4.16Å
538L30.3Very low30.6Very low152 Ų152136.9 Ų136.980%0.79681%0.807SS**  trans165157157-88.5155.7000107.3
539M30.5Very low31.2Very low145 Ų145139 Ų13971%0.71481%0.807SS**  cis-147.1-178.410-151.9142.2-177.500112.3
540E32.8Very low31Very low170 Ų170141 Ų14179%0.79482%0.816SS**  trans-43.2168.3-177.3-62.1159.9125.100118.7
541G29.5Very low31Very low77 Ų77141.1 Ų141.179%0.79482%0.818SS**  cis-169.7-171.88.800000113.9
542G30.1Very low31.9Very low87 Ų87143.2 Ų143.290%0.89782%0.818SS**  trans-96.5-168.7-17600000115.4
543G28Very low31.5Very low76 Ų76146.5 Ų146.578%0.78482%0.824SS**  cis151134.4-7.700000113.5
544E28.8Very low31.2Very low206 Ų206144.4 Ų144.496%0.96382%0.819SS**  trans-168.1171.6173.1-130.8-178.6-179.100112.6
545G30.2Very low31.2Very low74 Ų74142.5 Ų142.576%0.76382%0.815SS**  trans130.2-76.4142.600000120.8
546G29.1Very low31Very low79 Ų79139.7 Ų139.781%0.81481%0.808SS**  trans75.7-175.7177.500000119.7
547V29.4Very low30.9Very low135 Ų135142.1 Ų142.182%0.81881%0.809SS**  trans86.8114.1169.7-169.60000120.1
548K30.5Very low30.9Very low197 Ų197141 Ų14186%0.85781%0.807SS**  trans53.1137.1155.6-71.5-176.7176.7-172.90122.4
549P42.8Very low31.2Very low123 Ų123141.4 Ų141.480%0.79980%0.804SS**  trans-109.1136.9157.536.7-26.6000113.4
550E28.3Very low31.1Very low191 Ų191139.2 Ų139.289%0.89380%0.795SS**  trans-160162.6154.9-124.5164.5-154.600111.5
551Y33.4Very low31Very low221 Ų221141.4 Ų141.487%0.86780%0.796SS**  trans-82.9-176.8-167.1-53.1-87.5000113.1
552P49.5Very low31.2Very low117 Ų117147.1 Ų147.176%0.7679%0.794SS**  cis-142.3-169.3342.7-22.8000116.3
553R26.8Very low31.2Very low249 Ų249154.6 Ų154.694%0.9480%0.795SS**  140.3164.7125-152.2162.7-168.8171.53.7113.9
554A27.9Very low31.2Very low79 Ų79154 Ų15465%0.65379%0.789SS**  trans-113.3-175.6-166.400000113.6
555N28.5Very low31.2Very low157 Ų157150.6 Ų150.684%0.8478%0.782SS**  trans73.6150.8179.2-66.68.5000114.9
556S27.4Very low31.2Very low84 Ų84154.6 Ų154.659%0.58779%0.785SS**  cis177.5149.3-20.5530000108.8
557W24.5Very low31.3Very low247 Ų247155.3 Ų155.394%0.93678%0.778SS**  trans171.9152.6131.2-98.820.9000116.5
558S31.3Very low31.3Very low96 Ų96158.8 Ų158.867%0.67178%0.782SS**  trans-99-171.4159.750.70000108.8
559E35.8Very low31.1Very low159 Ų159153.2 Ų153.274%0.74378%0.781SS**  cis-133.2-16712.7-53.1179.7106.700110.2
560D29.5Very low30.4Very low99 Ų99151.5 Ų151.553%0.52979%0.785SS.*  -168.415370.9-156.721.2000105.9R562D560-R562 IonicContact OD1-NE 2.74Å
561R29.1Very low30.3Very low216 Ų216146.4 Ų146.482%0.81578%0.784SS**  cis-146.914029.1-83.6179.7170.6-179.7-1.8115.8
562R34Very low30Very low198 Ų198139.3 Ų139.375%0.74778%0.778SS**  trans-3.7158.8134.4-35.9-178.5-170.2-150.8-6.2118.3D560D560-R562 IonicContact OD1-NE 2.74Å
563R30.7Very low29Very low243 Ų243142.2 Ų142.292%0.91779%0.785SS**  cis-147.8163.429.3-73.3-179.3172.5-142.1-0.5111.5
564G27.4Very low29.2Very low64 Ų64136.1 Ų136.166%0.6678%0.781SS**  cis160.8-169.2-400000113.3
565V30.2Very low29.2Very low135 Ų135136.1 Ų136.182%0.81879%0.789SS**  trans7495.4173.6-169.20000114.5
566L30.1Very low29.2Very low157 Ų157140.7 Ų140.782%0.82279%0.794SS**  76.413677.8-72.6167.1000114.3
567S29.4Very low29.1Very low95 Ų95140.7 Ų140.766%0.66481%0.807SS**  cis-165.2159.6-3.5-164.70000112.9
568K29.6Very low29.3Very low207 Ų207132.5 Ų132.590%0.980%0.8SS**  trans60.4144.1171.8-64.2179176.1179.60117.7
569G26.9Very low29.2Very low81 Ų81133.4 Ų133.484%0.83581%0.806SS**  cis160.3130.6-1600000115.9
570G27.3Very low28.9Very low87 Ų87136.7 Ų136.790%0.89781%0.812SS**  trans98.3141.8146.100000119.9
571G27.7Very low29.1Very low84 Ų84137.3 Ų137.387%0.86682%0.819SS**  trans94.270.2139.200000120.9
572G27.2Very low29.1Very low72 Ų72133.7 Ų133.774%0.74282%0.816SS**  39.3165.5127.300000126.3
573I28.7Very low28.8Very low178 Ų178127.5 Ų127.591%0.91381%0.814SS**  trans84.9155.8158.4-55.2173.8000116.3
574S30.3Very low28.8Very low120 Ų120123.3 Ų123.384%0.83980%0.804SS**  trans-83.5155.9-160.148.30000116
575G27Very low29Very low80 Ų80128.9 Ų128.983%0.82581%0.81SS**  trans-153.8150.2173.200000112.8
576R28.8Very low29.1Very low253 Ų253130.1 Ų130.196%0.95581%0.807SS**  trans-97162.3-177.1-79.2177.9166.4-178.1-4.2113.3
577G26.1Very low29Very low83 Ų83128.4 Ų128.486%0.85681%0.808SS**  trans-53.3-177.817500000119.9
578G27.3Very low29Very low76 Ų76128.8 Ų128.878%0.78481%0.811SS**  trans122.1106.9-166.400000107.7
579S31.1Very low29.1Very low114 Ų114124.3 Ų124.380%0.79781%0.806SS**  cis75.7138.440.2-1630000113.8
580R29.2Very low29.3Very low229 Ų229127.6 Ų127.686%0.86480%0.804SS**  trans84.1145.3-177.4-60.7-180171171.1-3.4114.8
581T32.3Very low29.5Very low112 Ų112130.6 Ų130.669%0.68779%0.794SS**  cis-157151.45.6-3.20000115.2
582N29Very low29.6Very low140 Ų140134.9 Ų134.975%0.74979%0.789SS**  trans50.8135.6142.7-70.33.6000125.5
583G27.6Very low29.7Very low68 Ų68137.4 Ų137.470%0.70180%0.795SS**  trans172.381.2155.100000111.4
584H32.7Very low29.7Very low155 Ų155138.7 Ų138.772%0.71879%0.788SS**  55.3121.791.9-77.3-51000113.6
585K30.8Very low29.7Very low180 Ų180139.1 Ų139.178%0.78378%0.777SS**  cis-149.6175.923.7-91169.9-175175.60114.1
586H32Very low30Very low162 Ų162142.2 Ų142.275%0.7577%0.77SS**  trans-30.2166.1166.8-38.9-74.4000117.8
587S28.2Very low29.9Very low121 Ų121134.6 Ų134.685%0.84676%0.756SS**  cis-157.6-173.633-152.60000116.9
588S29.7Very low30Very low103 Ų103136.3 Ų136.372%0.7275%0.754SS**  trans-106.5149.1-155.956.50000118.8
589S30.4Very low30Very low113 Ų113137.9 Ų137.979%0.7975%0.753SS**  178.1129.1129.951.30000109.7
590N31.5Very low29.9Very low150 Ų150139.7 Ų139.780%0.80275%0.754SS**  55.2131.671.2-79.4-10.6000114.4
591H31.9Very low29.9Very low150 Ų150136.1 Ų136.169%0.69475%0.747SS**  cis-149.9-168.416.1-157.4-123.6000114.1
592K30.2Very low29.7Very low174 Ų174139.4 Ų139.476%0.75775%0.747SS**  trans-84.7155.9-160.5-51.8163.9-174169.20116.6
593S29.8Very low29.6Very low124 Ų124139.8 Ų139.887%0.86774%0.744SS**  trans-146.7155.7133.462.10000112.7
594R28.8Very low29.7Very low205 Ų205140.5 Ų140.577%0.77474%0.743SS**  trans-94.9160-174.8-131.1170.878.6166.45.1107.6
595E28.4Very low29.5Very low129 Ų129145.2 Ų145.260%0.60376%0.755SS**  cis-158.7164.137.6-67.7-157.2136.100114.9
596H33.2Very low29.2Very low146 Ų146139.8 Ų139.868%0.67675%0.749SS**  trans27.1143.2142.8-58.8-52.8000123.3
597S26.8Very low29Very low93 Ų93140 Ų14065%0.6576%0.756SS**  cis-165.6141.8-7-102.30000113.8
598S29.5Very low28.7Very low118 Ų118146 Ų14683%0.82576%0.76SS**  trans46.1124.7149.563.60000123.2
599S26.3Very low28.5Very low110 Ų110152 Ų15277%0.76977%0.767SS**  trans-152143.5146.280.70000114.6
600N29.5Very low28.3Very low151 Ų151153.4 Ų153.481%0.80777%0.771SS**  trans50.2107.6147-65.1-20.1000124.7
601H30.4Very low28Very low155 Ų155154.5 Ų154.572%0.71877%0.771SS**  86.4139.2108.6-15650.4000122.6
602R26.7Very low27.7Very low181 Ų181153.4 Ų153.468%0.68378%0.781SS**  trans77.7148157.9-84.9174.2-175-1286.7119.6
603Q28.3Very low27.4Very low148 Ų148151.2 Ų151.269%0.69279%0.788SS**  cis-164.2154.3-6.2-142168-2800115.4
604A28.9Very low27.2Very low82 Ų82151.5 Ų151.568%0.67879%0.789SS**  trans87.9144.3137.800000125.7
605R27.2Very low27.1Very low255 Ų255147.4 Ų147.496%0.96279%0.792SS**  trans78.1138.1163.4-53.8-168.6-178.1-133.30.9118.5
606G25.9Very low27Very low65 Ų65145.5 Ų145.567%0.6780%0.798SS**  cis-176.4171.5-500000115.5
607D26.4Very low26.5Very low168 Ų168144.7 Ų144.790%0.89880%0.804SS**  trans56.7122.9160.1-49.2-20.5000122.7
608R23.4Very low26.4Very low245 Ų245152.1 Ų152.193%0.92582%0.818SS**  -176.5165.292.7-150.9166.5-164.8-175.33.8112.7
609W24.6Very low26.2Very low230 Ų230153.2 Ų153.287%0.87182%0.82SS**  trans-100.4154.4178.1-73.935000113.6
610T26.5Very low26.2Very low143 Ų143153.9 Ų153.988%0.87782%0.824SS**  trans-152.1139.614745.60000110.6
611E25Very low26Very low172 Ų172150.2 Ų150.280%0.80482%0.822SS**  trans-84.8160.6170.7-61.8167.7106.900111.9
612S25Very low25.8Very low127 Ų127151.7 Ų151.789%0.88883%0.829SS**  trans-166.8128.6153.9-82.40000111.9
613S24.6Very low25.8Very low129 Ų129155.1 Ų155.190%0.90284%0.842SS**  trans-103138.1170-63.80000110.3
614S26.8Very low25.6Very low129 Ų129151 Ų15190%0.90284%0.839SS**  trans-160.1158.9162.155.80000111.8
615S24.8Very low25.5Very low119 Ų119153 Ų15383%0.83284%0.844SS**  trans-117.9145-176.552.20000112.6
616A27.1Very low25.5Very low89 Ų89150.1 Ų150.174%0.73684%0.84SS**  trans-155.2122.4156.300000106.3
617T23.1Very low25.4Very low129 Ų129150.4 Ų150.479%0.79184%0.844SS**  71.8116.461.4-53.10000111.8
618W23.7Very low25.3Very low249 Ų249154.5 Ų154.594%0.94385%0.847SS**  trans-80.3149.2-173.7-73.148.2000112.7
619T25.7Very low25.6Very low142 Ų142147 Ų14787%0.87185%0.845SS**  trans-136.1147.2157.350.50000109.7
620S27.6Very low25.6Very low123 Ų123139.5 Ų139.586%0.8684%0.84SS**  trans-102140.3-179.1-1760000111
621G23.5Very low25.9Very low74 Ų74142.8 Ų142.876%0.76384%0.836SS**  trans-163.1137.1177.700000111.2
622H27.4Very low26.1Very low186 Ų186139 Ų13986%0.86182%0.821SS**  trans-91.1160.5-165.6-80-80.9000115.9
623R26.6Very low26.8Very low253 Ų253138.2 Ų138.296%0.95581%0.806SS**  trans96.6122.1137.1-163.9-175.1-83.9-151.2-2.4117.8
624G24.7Very low27.9Very low61 Ų61133.1 Ų133.163%0.62977%0.768SS**  trans140.697.3149.300000119.2
625T26.3Very low28.4Very low126 Ų126132.2 Ų132.277%0.77375%0.749SS**  trans51.1123.2139.850.50000123.7
626H26Very low29.1Very low193 Ų193129.1 Ų129.189%0.89472%0.724SS**  trans49.9120.1143.9-61.7-71.6000122
627G23.7Very low30Very low72 Ų72126.4 Ų126.474%0.74270%0.695SS**  trans172.392.2155.800000117.9
628R25.8Very low31.3Very low254 Ų254120.8 Ų120.896%0.95866%0.66SS**  trans65.9141.9167.7-57.8178.2177-119.8-4.1116.9G630R628-G630 PolarHBondContact O-N 3.41Å
629G28.9Very low32.1Very low86 Ų86114.2 Ų114.289%0.88764%0.638SS**  trans-74.6109.2177.300000112.3R631G629-R631 PolarHBondContact O-N 2.96Å
630G25.2Very low32.7Very low74 Ų74112.2 Ų112.276%0.76362%0.621SS**  trans-72.8114.5165.800000110.3R628 L632R628-G630 PolarHBondContact O-N 3.41Å; G630-L632 PolarHBondContact O-N 3.31Å
631R32.7Very low33.4Very low212 Ų212107.8 Ų107.880%0.859%0.59SS**  trans-66.7114.7166.8176.4-167.8-101.9-153.2-5.3107.4G629 L633G629-R631 PolarHBondContact O-N 2.96Å; R631-L633 PolarHBondContact O-N 2.9Å
632L28.9Very low34.2Very low93 Ų93106 Ų10649%0.48756%0.563SS.*  trans-55.7135.6172.5-134.680.7000109.5G630 D636 E637 I640G630-L632 PolarHBondContact O-N 3.31Å; L632-D636 HydrophobicContact CD2-CB 4.4Å; L632-D636 HydrophobicContact CG-CB 4.18Å; L632-E637 HydrophobicContact CD2-CB 4.48Å; L632-E637 HydrophobicContact CD2-CG 4.45Å; L632-I640 HydrophobicContact CD2-CD1 3.9Å
633L39.8Very low34.6Very low110 Ų110106 Ų10658%0.57656%0.557SS**  trans-85.2146170.6-66.5172.7000108.5R631 Q635 D636 E637R631-L633 PolarHBondContact O-N 2.9Å; L633-Q635 PolarHBondContact O-N 3Å; L633-Q635 VanDerWaalsContact O-N 3.07Å; L633-D636 WeakPolarHBondContact O-CA 3.48Å; L633-D636 WeakPolarHBondContact O-CB 3.08Å; L633-D636 PolarHBondContact O-N 3.4Å; L633-E637 PolarHBondContact O-N 2.95Å; L633-E637 VanDerWaalsContact O-N 3.13Å
634E46.7Very low35.2Very low22 Ų2299.2 Ų99.210%0.10354%0.536CS..Hα-helixtrans-57-27.6176.9-174.7-171.6-174.900111.8K92 L115 S169 G170 D636 E637 E638K92-E634 IonicContact NZ-OE1 3.22Å; L115-E634 WeakPolarHBondContact CD2-OE2 3.36Å; S169-E634 WeakPolarHBondContact CA-OE2 3.45Å; S169-E634 WeakPolarHBondContact CB-OE1 3.37Å; S169-E634 WeakPolarHBondContact CB-OE2 3.32Å; G170-E634 PolarHBondContact N-OE2 3.35Å; G170-E634 VanDerWaalsContact N-OE2 3.16Å; E634-D636 VanDerWaalsContact C-N 3.25Å; E634-D636 PolarHBondContact O-N 2.96Å; E634-E637 CarbonylContact O-C 3.57Å; E634-E637 WeakPolarHBondContact O-CA 3.37Å; E634-E637 VanDerWaalsContact O-CB 3.3Å; E634-E637 WeakPolarHBondContact O-CB 3.29Å; E634-E637 PolarHBondContact O-N 3.09Å; E634-E637 VanDerWaalsContact O-N 3.11Å; E634-E638 HydrophobicContact CG-CG 4.43Å; E634-E638 WeakPolarHBondContact O-CB 3.38Å; E634-E638 PolarHBondContact O-N 3.32Å
635Q39.2Very low36.1Very low110 Ų11098.3 Ų98.351%0.51452%0.516SS..Hα-helixtrans-65.6-27.6174.4-168.2176.681.300112.9L633 K639L633-Q635 PolarHBondContact O-N 3Å; L633-Q635 VanDerWaalsContact O-N 3.07Å; Q635-K639 VanDerWaalsContact O-CE 3.29Å; Q635-K639 WeakPolarHBondContact O-CE 3.31Å; Q635-K639 VanDerWaalsContact O-CG 3.23Å; Q635-K639 WeakPolarHBondContact O-CG 3.4Å; Q635-K639 PolarHBondContact O-N 3.24Å
636D38.6Very low36.6Very low54 Ų5498.7 Ų98.729%0.28951%0.509SS..Hα-helixtrans-81.5-30.5171.6-55.1-46.2000111L632 L633 E634 K639 I640L632-D636 HydrophobicContact CD2-CB 4.4Å; L632-D636 HydrophobicContact CG-CB 4.18Å; L633-D636 WeakPolarHBondContact O-CA 3.48Å; L633-D636 WeakPolarHBondContact O-CB 3.08Å; L633-D636 PolarHBondContact O-N 3.4Å; E634-D636 VanDerWaalsContact C-N 3.25Å; E634-D636 PolarHBondContact O-N 2.96Å; D636-K639 CarbonylContact O-C 3.47Å; D636-K639 WeakPolarHBondContact O-CB 3.13Å; D636-K639 PolarHBondContact O-N 3.49Å; D636-K639 IonicContact OD1-NZ 2.91Å; D636-K639 PolarHBondContact OD1-NZ 3.1Å; D636-I640 WeakPolarHBondContact O-CB 3.44Å; D636-I640 WeakPolarHBondContact O-CD1 3.3Å; D636-I640 WeakPolarHBondContact O-CG1 3.49Å; D636-I640 PolarHBondContact O-N 3.39Å
637E45.3Very low37.5Very low31 Ų3190.9 Ų90.915%0.14547%0.473CS..Hα-helixtrans-71.2-32.7173.3-141.1-169.8-54.300113.1K78 H173 L632 L633 E634 I640 S641K78-E637 IonicContact NZ-OE2 2.67Å; K78-E637 PolarHBondContact NZ-OE2 3.49Å; H173-E637 IonicContact CE1-OE1 3.78Å; H173-E637 PolarHBondContact CE1-OE1 2.89Å; H173-E637 IonicContact CE1-OE2 3.07Å; H173-E637 PolarHBondContact CE1-OE2 2.79Å; H173-E637 IonicContact NE2-OE1 2.66Å; L632-E637 HydrophobicContact CD2-CB 4.48Å; L632-E637 HydrophobicContact CD2-CG 4.45Å; L633-E637 PolarHBondContact O-N 2.95Å; L633-E637 VanDerWaalsContact O-N 3.13Å; E634-E637 CarbonylContact O-C 3.57Å; E634-E637 WeakPolarHBondContact O-CA 3.37Å; E634-E637 VanDerWaalsContact O-CB 3.3Å; E634-E637 WeakPolarHBondContact O-CB 3.29Å; E634-E637 PolarHBondContact O-N 3.09Å; E634-E637 VanDerWaalsContact O-N 3.11Å; E637-I640 CarbonylContact O-C 3.5Å; E637-I640 PolarHBondContact O-N 3.03Å; E637-S641 WeakPolarHBondContact O-CB 3.21Å; E637-S641 PolarHBondContact O-N 3.1Å; E637-S641 PolarHBondContact O-OG 3.24Å
638E50.3Low38.5Very low11 Ų1194.7 Ų94.75%0.05147%0.469CS..Hα-helixtrans-73.5-34168.8-78.3-161.8151.900110.6F91 K92 G114 E634 I640 S641 N642F91-E638 WeakPolarHBondContact CD1-OE2 3.35Å; F91-E638 HydrophobicContact CE1-CB 4.18Å; K92-E638 IonicContact NZ-OE1 3.49Å; K92-E638 PolarHBondContact NZ-OE1 3.11Å; G114-E638 WeakPolarHBondContact CA-OE1 3.24Å; G114-E638 WeakPolarHBondContact CA-OE2 3.43Å; E634-E638 HydrophobicContact CG-CG 4.43Å; E634-E638 WeakPolarHBondContact O-CB 3.38Å; E634-E638 PolarHBondContact O-N 3.32Å; E638-I640 VanDerWaalsContact C-N 3.3Å; E638-I640 PolarHBondContact O-N 2.86Å; E638-S641 WeakPolarHBondContact CA-OG 3.02Å; E638-N642 WeakPolarHBondContact O-CA 3.41Å; E638-N642 WeakPolarHBondContact O-CB 3.36Å; E638-N642 PolarHBondContact O-N 2.9Å; E638-N642 PolarHBondContact O-ND2 2.94Å
639K40.9Very low39.7Very low111 Ų11186 Ų8648%0.48345%0.446SS..Hα-helixtrans-64.7-32.3166.5-68.2164.2-150.2159.60112.3Q635 D636 N642 Y643Q635-K639 VanDerWaalsContact O-CE 3.29Å; Q635-K639 WeakPolarHBondContact O-CE 3.31Å; Q635-K639 VanDerWaalsContact O-CG 3.23Å; Q635-K639 WeakPolarHBondContact O-CG 3.4Å; Q635-K639 PolarHBondContact O-N 3.24Å; D636-K639 CarbonylContact O-C 3.47Å; D636-K639 WeakPolarHBondContact O-CB 3.13Å; D636-K639 PolarHBondContact O-N 3.49Å; D636-K639 IonicContact OD1-NZ 2.91Å; D636-K639 PolarHBondContact OD1-NZ 3.1Å; K639-N642 CarbonylContact O-C 3.52Å; K639-N642 VanDerWaalsContact O-O 3.11Å; K639-Y643 PolarHBondContact O-N 3.3Å
640I38.5Very low41Very low101 Ų10182.4 Ų82.452%0.51841%0.406SS..Hα-helixtrans-84.8-25.9179.8-69.7160.2000112.8L632 D636 E637 E638 Y643L632-I640 HydrophobicContact CD2-CD1 3.9Å; D636-I640 WeakPolarHBondContact O-CB 3.44Å; D636-I640 WeakPolarHBondContact O-CD1 3.3Å; D636-I640 WeakPolarHBondContact O-CG1 3.49Å; D636-I640 PolarHBondContact O-N 3.39Å; E637-I640 CarbonylContact O-C 3.5Å; E637-I640 PolarHBondContact O-N 3.03Å; E638-I640 VanDerWaalsContact C-N 3.3Å; E638-I640 PolarHBondContact O-N 2.86Å; I640-Y643 WeakPolarHBondContact O-CB 3.47Å; I640-Y643 PolarHBondContact O-N 2.79Å
641S42.3Very low42.5Very low29 Ų2984.5 Ų84.520%0.20340%0.396CS..Hα-helixtrans-86.3-28.9169.949.70000112.3E637 E638 Y643E637-S641 WeakPolarHBondContact O-CB 3.21Å; E637-S641 PolarHBondContact O-N 3.1Å; E637-S641 PolarHBondContact O-OG 3.24Å; E638-S641 WeakPolarHBondContact CA-OG 3.02Å; S641-Y643 PolarHBondContact O-N 2.83Å
642N41.1Very low43.1Very low36 Ų3677 Ų7719%0.19338%0.375CS..THydrogen-bonded Turntrans-80.137.5153.2-56.5-29.6000110.9R70 G90 E638 K639 E644R70-N642 PolarHBondContact NH2-OD1 3.12Å; G90-N642 PolarHBondContact O-ND2 3.22Å; G90-N642 PolarHBondContact O-OD1 3.38Å; E638-N642 WeakPolarHBondContact O-CA 3.41Å; E638-N642 WeakPolarHBondContact O-CB 3.36Å; E638-N642 PolarHBondContact O-N 2.9Å; E638-N642 PolarHBondContact O-ND2 2.94Å; K639-N642 CarbonylContact O-C 3.52Å; K639-N642 VanDerWaalsContact O-O 3.11Å; N642-E644 PolarHBondContact O-N 3.03Å
643Y35.8Very low43.9Very low188 Ų18882.3 Ų82.374%0.73739%0.388SS*.  trans-51.1120.5163.2-158.8-79.9000105.8K639 I640 S641 M645K639-Y643 PolarHBondContact O-N 3.3Å; I640-Y643 WeakPolarHBondContact O-CB 3.47Å; I640-Y643 PolarHBondContact O-N 2.79Å; S641-Y643 PolarHBondContact O-N 2.83Å; Y643-M645 PolarHBondContact O-N 2.91Å
644E39.6Very low43.6Very low110 Ų11084.2 Ų84.251%0.51440%0.399SS..  trans-69.8105.5-161.4-160.5152.9-148.600108.3K69 N642 E646K69-E644 VanDerWaalsContact CE-OE1 3.24Å; K69-E644 WeakPolarHBondContact CE-OE1 3.48Å; K69-E644 IonicContact NZ-OE1 2.74Å; K69-E644 PolarHBondContact NZ-OE1 3.19Å; N642-E644 PolarHBondContact O-N 3.03Å; E644-E646 HydrophobicContact CG-CG 4.05Å; E644-E646 PolarHBondContact O-N 2.58Å
645M43.5Very low43Very low41 Ų4188.6 Ų88.620%0.20243%0.433CS..  trans-69.372162.1-101.6-166.8-65.400107.1Y53 W65 Y643 M647Y53-M645 HydrophobicContact CD2-CE 3.81Å; Y53-M645 HydrophobicContact CE1-CE 4.27Å; Y53-M645 HydrophobicContact CE2-CE 3.53Å; Y53-M645 HydrophobicContact CE2-SD 3.9Å; Y53-M645 HydrophobicContact CG-CE 4.31Å; W65-M645 HydrophobicContact CH2-CE 4.1Å; W65-M645 HydrophobicContact CZ3-CE 4.04Å; Y643-M645 PolarHBondContact O-N 2.91Å; M645-M647 HydrophobicContact CB-CG 3.88Å; M645-M647 HydrophobicContact CG-CG 3.78Å; M645-M647 HydrophobicContact CG-SD 4.01Å; M645-M647 PolarHBondContact O-N 2.88Å; M645-M647 HydrophobicContact SD-CG 3.82Å; M645-M647 HydrophobicContact SD-SD 4.1Å
646E36.3Very low42.6Very low134 Ų13489.1 Ų89.163%0.62644%0.443SS*.  trans-63.861.8144.6-66.9-154.2148.600108.4E644 K648E644-E646 HydrophobicContact CG-CG 4.05Å; E644-E646 PolarHBondContact O-N 2.58Å; E646-K648 PolarHBondContact O-N 3.33Å
647M45.3Very low42.2Very low30 Ų3093 Ų9315%0.14847%0.469CS..  trans-64.882.9152.8-57.9-55.6-85.500104.5C30 M645C30-M647 HydrophobicContact CB-CE 4.33Å; C30-M647 WeakPolarHBondContact SG-CE 3.18Å; M645-M647 HydrophobicContact CB-CG 3.88Å; M645-M647 HydrophobicContact CG-CG 3.78Å; M645-M647 HydrophobicContact CG-SD 4.01Å; M645-M647 PolarHBondContact O-N 2.88Å; M645-M647 HydrophobicContact SD-CG 3.82Å; M645-M647 HydrophobicContact SD-SD 4.1Å
648K43.8Very low41.5Very low151 Ų151100.1 Ų100.166%0.65750%0.502SS*.  trans-50.7133.3177.7-71.1171.5-177.9169.70106.8E646 L650E646-K648 PolarHBondContact O-N 3.33Å; K648-L650 WeakPolarHBondContact O-CA 3.45Å; K648-L650 PolarHBondContact O-N 3.43Å
649P51.2Low40.4Very low73 Ų73108.2 Ų108.247%0.47454%0.537SS..  trans-42.4110.6-167.2-32.534.8000111F47 Q651F47-P649 HydrophobicContact CE1-CG 4.31Å; F47-P649 HydrophobicContact CE2-CG 4.43Å; F47-P649 HydrophobicContact CZ-CB 4.44Å; F47-P649 HydrophobicContact CZ-CG 3.8Å; P649-Q651 WeakPolarHBondContact O-CG 3.35Å; P649-Q651 PolarHBondContact O-N 3.1Å
650L55.6Low40.1Very low10 Ų10108.8 Ų108.85%0.05255%0.552CS.*  trans-64.9112.5-162.7-66.9-177.6000109.3F9 Y15 W19 K23 A24 W43 K648F9-L650 HydrophobicContact CE1-CD2 3.82Å; F9-L650 HydrophobicContact CZ-CD1 4.47Å; F9-L650 HydrophobicContact CZ-CD2 3.64Å; Y15-L650 HydrophobicContact CD2-CD1 3.93Å; Y15-L650 HydrophobicContact CE2-CD1 4.44Å; Y15-L650 HydrophobicContact CG-CD1 4.49Å; W19-L650 HydrophobicContact CH2-CB 4.4Å; W19-L650 HydrophobicContact CZ3-CB 4.4Å; K23-L650 WeakPolarHBondContact CA-O 3.45Å; A24-L650 HydrophobicContact CB-CB 3.99Å; A24-L650 HydrophobicContact CB-CD1 3.96Å; A24-L650 PolarHBondContact N-O 3.47Å; W43-L650 HydrophobicContact CE3-CD1 4.21Å; W43-L650 HydrophobicContact CH2-CD1 3.87Å; W43-L650 HydrophobicContact CZ3-CD1 3.6Å; W43-L650 HydrophobicContact CZ3-CG 4.42Å; K648-L650 WeakPolarHBondContact O-CA 3.45Å; K648-L650 PolarHBondContact O-N 3.43Å
651Q56.3Low39.6Very low117 Ų117112.9 Ų112.955%0.54757%0.569SS.*  trans-122.8137.7176-56.3-149-96.800110.9G22 K23 P649G22-Q651 VanDerWaalsContact O-CA 3.29Å; G22-Q651 WeakPolarHBondContact O-CA 3.49Å; G22-Q651 WeakPolarHBondContact O-CB 3.46Å; G22-Q651 WeakPolarHBondContact O-CG 3.49Å; G22-Q651 PolarHBondContact O-NE2 2.89Å; G22-Q651 VanDerWaalsContact O-NE2 3.1Å; K23-Q651 HydrophobicContact CG-CG 4.47Å; P649-Q651 WeakPolarHBondContact O-CG 3.35Å; P649-Q651 PolarHBondContact O-N 3.1Å
652P46.1Very low38.9Very low55 Ų55115 Ų11536%0.35760%0.595SS.*PPolyproline II helixtrans-60.6139.6165.2-17.932.9000109.5W19 G22W19-P652 HydrophobicContact CD2-CG 4Å; W19-P652 HydrophobicContact CE3-CG 3.52Å; W19-P652 HydrophobicContact CH2-CG 4.25Å; W19-P652 VanDerWaalsContact CZ3-CD 3.45Å; W19-P652 HydrophobicContact CZ3-CG 3.68Å; G22-P652 VanDerWaalsContact CA-CD 3.47Å; G22-P652 WeakPolarHBondContact O-CD 3.49Å
653R44.7Very low38.5Very low204 Ų204123.2 Ų123.277%0.7763%0.632SS**PPolyproline II helixtrans-91.5129.2169.4-159.4172.9-170.9167.31.6108S655R653-S655 PolarHBondContact O-N 3.45Å
654D34.8Very low38.2Very low150 Ų150117.6 Ų117.680%0.80263%0.631SS**PPolyproline II helixtrans-54.6139.1-176.8-70.2-53.3000112.1T656D654-T656 PolarHBondContact O-N 3.18Å
655S34.1Very low37.7Very low115 Ų115122.1 Ų122.180%0.80465%0.653SS**  trans-75.381.3-172410000112.5R653 T657R653-S655 PolarHBondContact O-N 3.45Å; S655-T657 PolarHBondContact O-N 3.23Å
656T29.7Very low37.1Very low121 Ų121128.2 Ų128.274%0.74268%0.68SS**  trans-52.3124.9168.339.10000110.8D654 H658D654-T656 PolarHBondContact O-N 3.18Å; T656-H658 PolarHBondContact O-N 3.03Å; T656-H658 VanDerWaalsContact O-N 3.1Å
657T30.8Very low36.8Very low134 Ų134133 Ų13382%0.82269%0.693SS**  trans-79.298.3-159-33.90000112.3S655 K659S655-T657 PolarHBondContact O-N 3.23Å; T657-K659 PolarHBondContact O-N 2.89Å; T657-K659 VanDerWaalsContact O-N 3.09Å
658H29.8Very low36Very low182 Ų182140.9 Ų140.984%0.84373%0.729SS**  trans-67.3106.2168.4-86.3-89.6000110.5T656T656-H658 PolarHBondContact O-N 3.03Å; T656-H658 VanDerWaalsContact O-N 3.1Å
659K29.2Very low35.3Very low180 Ų180137.4 Ų137.478%0.78374%0.736SS**PPolyproline II helixtrans-66.5144.1163.1-71.2-175.6176.7-177.90109.5T657T657-K659 PolarHBondContact O-N 2.89Å; T657-K659 VanDerWaalsContact O-N 3.09Å
660P33.6Very low34.3Very low124 Ų124143.8 Ų143.881%0.80576%0.759SS**PPolyproline II helixtrans-65.3147.1174.528.8-34.8000111.1
661H29Very low33Very low187 Ų187147 Ų14787%0.86680%0.795SS**PPolyproline II helixtrans-97.4139163.2-83.417.6000109.3
662G27Very low31.8Very low73 Ų73151.3 Ų151.375%0.75382%0.815SS**PPolyproline II helixtrans-87.5161.4169.500000111.8
663H32.8Very low31Very low208 Ų208152.6 Ų152.696%0.96384%0.838SS**PPolyproline II helixtrans-73.3151.3167.3-71.5-104.9000110.8
664G28.8Very low30.3Very low71 Ų71154.3 Ų154.373%0.73284%0.844SS**  trans17273.2174.200000117.3
665E30Very low30Very low205 Ų205151.7 Ų151.796%0.95884%0.838SS**  trans62.5179.5147.6-57.5-168.4134.300121
666E30.1Very low29.8Very low168 Ų168155.6 Ų155.679%0.78584%0.843SS**  trans-104.6158.6-157.4-43.9172.3122.100113.8
667R29.4Very low29.7Very low234 Ų234153.9 Ų153.988%0.88385%0.85SS**  -178171.2112.2-98.7167.6-173.1-153.2-0114.5
668Q29.4Very low29.6Very low197 Ų197152.2 Ų152.292%0.92185%0.849SS**  trans-79.6158.1-171.3-59.5150-38.800113.5
669G28.2Very low30.6Very low78 Ų78149.1 Ų149.180%0.80485%0.845SS**  trans-173.9117.8165.900000113.2
670H31.6Very low30.5Very low206 Ų206151 Ų15195%0.95485%0.848SS**  trans-82.4153.8170.4-83.6-105.5000111.3
671G28.2Very low30.4Very low77 Ų77151.5 Ų151.579%0.79484%0.839SS**  trans-179.5114.6166.700000113.7
672E31Very low30.3Very low209 Ų209152.3 Ų152.398%0.97784%0.835SS**  trans-82.7155.5168-62.2-177.3104.400111.1
673G28.6Very low30.4Very low81 Ų81157.9 Ų157.984%0.83584%0.841SS**  trans-171.8123.4172.500000113.3
674R29.6Very low30.5Very low240 Ų240156.2 Ų156.291%0.90683%0.83SS**  trans-106.5163.8-179.1-83.9-177.6170.6177.3-1.7112.9
675S28.7Very low30.4Very low95 Ų95161 Ų16166%0.66484%0.839SS**  trans73.1117.2143.851.30000121.7
676H30.7Very low30.5Very low197 Ų197162.4 Ų162.491%0.91284%0.836SS**  39.6123.1125.8-54.9-72.3000121.2
677G27.8Very low30.6Very low86 Ų86164.1 Ų164.189%0.88784%0.844SS**  trans-171.5122.3158.300000112.3
678A28.9Very low30.6Very low98 Ų98156.3 Ų156.381%0.8184%0.836SS**  trans-137.9-172.5177.300000108.8
679P49.9Very low30.8Very low117 Ų117157.9 Ų157.976%0.7683%0.834SS**  -119-179.1-59.637.7-26.9000110.8
680R28.4Very low30.9Very low221 Ų221160.7 Ų160.783%0.83483%0.83SS**  trans-169.4148.5140.8-114.6167.6157.9137-2.1118.3
681Q30Very low30.8Very low133 Ų133154.6 Ų154.662%0.62182%0.823SS**  trans18.5125.6149.6-68.6168.2-107.600119.9
682R27.9Very low30.9Very low205 Ų205154.8 Ų154.877%0.77483%0.825SS**  74.9108.655.8-176.7-156.3-174.5-159.35.2113.8
683H29.3Very low31Very low190 Ų190153.8 Ų153.888%0.8882%0.817SS**  trans-146.3159.8144.3-124.1-93.1000112.2
684K34.3Very low31.1Very low172 Ų172155.9 Ų155.975%0.74881%0.809SS**  trans-101.9162174.2-65.6178.8174.6-179.20110.2
685N27.2Very low31.2Very low171 Ų171149 Ų14991%0.91480%0.798SS**  -159.4163.7121.2-103.6-1.6000112.8
686R31.8Very low31.3Very low236 Ų236150.1 Ų150.189%0.89180%0.801SS**  trans-159122.3-177.6173.3-161178.1-166.50.9109.8
687E31.7Very low31.6Very low203 Ų203149 Ų14995%0.94980%0.796SS**  trans-169.5149.6162.2-105.5151.8-150.600107.2
688G29.9Very low31.9Very low70 Ų70154.6 Ų154.672%0.72280%0.796SS**  cis-166.7-171.1-2.600000113
689R33Very low31.9Very low231 Ų231153.5 Ų153.587%0.87279%0.794SS**  trans-12.7165.6159.1-70.8177.8136.5134.61.4120.3
690D30.3Very low31Very low137 Ų137154.9 Ų154.973%0.73379%0.79SS**  cis-155.4164.8-9.5-105.9-43.1000104.3
691G30.6Very low31.1Very low78 Ų78151.7 Ų151.780%0.80478%0.782SS**  cis109.7117.545.700000110.4
692G29.3Very low31.1Very low81 Ų81152.1 Ų152.184%0.83579%0.786SS**  trans159.4152.217700000115.7
693K32.3Very low31.3Very low188 Ų188148.7 Ų148.782%0.81778%0.783SS**  trans-132.1176.1-170-54178.5170.1-1770115.6
694D30.5Very low31.4Very low125 Ų125145 Ų14567%0.66878%0.778SS**  trans81.489.2141.3-60.6-26.4000123.1
695S32.1Very low31.3Very low94 Ų94147.9 Ų147.966%0.65779%0.785SS**  68.9142.4116.679.70000125.7
696T31.9Very low32.8Very low120 Ų120144.8 Ų144.874%0.73677%0.774SS**  trans75.615015974.90000119.1
697H36.6Very low32.7Very low174 Ų174141.8 Ų141.881%0.80678%0.775SS**  cis-162.3178.7-1.5-130.3-20.7000115
698K33.2Very low32.6Very low203 Ų203141.6 Ų141.688%0.88377%0.765SS**  trans69.1139.9174.1-61.2-179.3-179.5-179.70116.6
699G30.2Very low32.6Very low74 Ų74150 Ų15076%0.76378%0.775SS**  cis-174.5-175.2-1.700000109.1
700E29.7Very low32.4Very low147 Ų147144 Ų14469%0.68776%0.761SS**  cis-164.3158-5.1-106.2-141.4107.800109.8
701K30.4Very low32.5Very low153 Ų153144.7 Ų144.767%0.66576%0.763SS**  trans63.8143149-74.7179.7179.1119.40121.9
702M31.9Very low32.4Very low143 Ų143146.4 Ų146.470%0.70476%0.758SS**  cis-167.3138.5-16.4-146.5163.416600112.3
703D31.4Very low32.4Very low133 Ų133150.3 Ų150.371%0.71176%0.759SS**  trans28.6158.1137.6-55.5-29.9000123.9
704S32Very low32.1Very low112 Ų112146.3 Ų146.378%0.78376%0.755SS**  cis-168.6-178.4-15.556.60000111.8
705R31.6Very low33.6Very low232 Ų232146.1 Ų146.188%0.87576%0.76SS**  trans-92.3-161.9169.3-49.3174.1168168.5-5.8110.9
706P58.3Low34.6Very low107 Ų107146.2 Ų146.270%0.69576%0.759SS**  cis-133.9-173.4-21.331.5-9000114.2
707L29.5Very low34.6Very low173 Ų173147.5 Ų147.591%0.90676%0.76SS**  167.4-179.2122.8-89.8169.2000116
708R29.2Very low34.2Very low198 Ų198147.8 Ų147.875%0.74776%0.759SS**  trans-124153.8-160.2172-172.6175.2-164.2-1.6112.6D710R708-D710 IonicContact CZ-OD2 3.63Å; R708-D710 IonicContact NE-OD2 3.91Å; R708-D710 IonicContact NH2-OD2 2.87Å; R708-D710 PolarHBondContact NH2-OD2 3.43Å
709R30.5Very low34.1Very low248 Ų248143.1 Ų143.194%0.93675%0.752SS**  trans-153.9170.7158.8-110.9168.8-172121.72.4112.4
710D28.7Very low34.1Very low105 Ų105145 Ų14556%0.56175%0.754SS**  trans-157.4159.9-155.2-127.8-42.3000110.4R708R708-D710 IonicContact CZ-OD2 3.63Å; R708-D710 IonicContact NE-OD2 3.91Å; R708-D710 IonicContact NH2-OD2 2.87Å; R708-D710 PolarHBondContact NH2-OD2 3.43Å
711L32.2Very low34.9Very low151 Ų151143.7 Ų143.779%0.79176%0.758SS**  trans69.2155.3168.7-50.9166.7000117.3
712T29.5Very low34.8Very low113 Ų113143.3 Ų143.369%0.69376%0.762SS**  cis-169.3165.4-11.521.40000113.4
713L27.9Very low34.8Very low163 Ų163143.5 Ų143.585%0.85376%0.764SS**  trans87.1155.4148.3-77.9158.3000122.7
714S27.9Very low35.1Very low105 Ų105143.5 Ų143.573%0.73477%0.771SS**  trans-140.2-155.2-173.6-34.20000108.1
715P60.3Low35.2Very low120 Ų120145.2 Ų145.278%0.77977%0.772SS**  cis-118.7-119.3-6.924.53.7000109.1
716P54.3Low35.3Very low97 Ų97145.1 Ų145.163%0.6377%0.771SS**  cis-138.7176.8-26.242.1-24.1000117.1
717L31Very low34Very low146 Ų146148.3 Ų148.376%0.76478%0.777SS**  trans69.7137.9164.2-52.6-168.8000117
718K29.7Very low34Very low181 Ų181146.5 Ų146.579%0.78777%0.768SS**  cis-165.8170.43.6-107.6173.7178.4-179.70107
719S30Very low34.2Very low105 Ų105145.3 Ų145.373%0.73478%0.776SS**  cis-169.1155.5-14.440.90000110
720S29.7Very low34.6Very low114 Ų114138.7 Ų138.780%0.79777%0.768SS**  trans-88.7161.5-178.4-350000114.1
721P46.3Very low34.9Very low118 Ų118141 Ų14177%0.76678%0.779SS**  -150.4-176.585.442.8-24.5000113.8
722I30.2Very low34.9Very low145 Ų145142.1 Ų142.174%0.74478%0.783SS**  cis-163.6152-23.4-104.7172.5000110.2
723I31Very low35.1Very low148 Ų148141.5 Ų141.576%0.75979%0.789SS**  trans32.8122.4154.7-61.9170.1000120.3
724P38.1Very low35.3Very low133 Ų133139.8 Ų139.886%0.86479%0.791SS**  -133.1-175.8100.639.7-30.2000115.1
725D33.3Very low35.7Very low148 Ų148145.2 Ų145.279%0.79180%0.801SS**  trans-114.9159.8-160.3-138-31.4000114.1
726R33.7Very low34.9Very low229 Ų229142.8 Ų142.886%0.86480%0.798SS**  trans57.2124.9172.5-69.5178165.6-176.7-4.8117.6
727Q31.6Very low34.4Very low174 Ų174144.3 Ų144.381%0.81380%0.801SS**  -170169.467.1-129163.1-23.100113.8
728D30.1Very low35.6Very low135 Ų135142.4 Ų142.472%0.72280%0.799SS**  trans75.1140.4154.6-7510.2000126
729L31.9Very low36.7Very low173 Ų173136.8 Ų136.891%0.90679%0.787SS**  trans65.3131156.7-69.7165.3000121.7
730S39.6Very low37.9Very low110 Ų110139.4 Ų139.477%0.76978%0.782SS**  trans-114.3144.4175.361.80000111.5
731L34.6Very low39.5Very low153 Ų153137.5 Ų137.580%0.80177%0.769SS**  trans-165.1147.3159.7-107.5162.4000112.2
732M32.6Very low40.6Very low175 Ų175135.4 Ų135.486%0.86276%0.757SS**  trans59.598.7160.4-65.4-63.7152.500120.3
733A32.9Very low42.9Very low99 Ų99133 Ų13382%0.81874%0.744SS**  trans-144.8110.5152.800000112
734S33.2Very low45.2Very low128 Ų128131.3 Ų131.390%0.89574%0.736SS**  trans170.2121.2146.741.90000111.6
735K36.8Very low47.2Very low218 Ų218129.2 Ų129.295%0.94872%0.721SS**  trans-152.195.1170.4-166.2174-173.8177.10110
736G42.6Very low49.6Very low70 Ų70124.5 Ų124.572%0.72270%0.702SS**  trans175.249.5-173.700000116
737N44.8Very low51.9Low128 Ų128119.4 Ų119.468%0.68469%0.69SS**  trans-144.83.2175.4-120-8.2000116
738S55.7Low54.5Low106 Ų106115.1 Ų115.174%0.74168%0.675SS**Hα-helixtrans-77.8-25.2-172.4-167.20000115.1
739A51.9Low57.4Low63 Ų63113 Ų11352%0.52166%0.663SS.*Hα-helixtrans-82.2-31.2-170.200000113.9S742 I743A739-S742 PolarHBondContact O-OG 2.87Å; A739-S742 VanDerWaalsContact O-OG 3.1Å; A739-I743 WeakPolarHBondContact O-CD1 3.4Å; A739-I743 WeakPolarHBondContact O-CG1 3.36Å
740Y55.9Low60.1Low161 Ų161110.6 Ų110.663%0.63165%0.65SS**Hα-helixtrans-72.4-34.9179.6-62.2-67.8000112.1S742 I743 L744Y740-S742 PolarHBondContact O-N 3.07Å; Y740-I743 PolarHBondContact O-N 3.01Å; Y740-L744 WeakPolarHBondContact O-CG 3.35Å; Y740-L744 PolarHBondContact O-N 2.92Å; Y740-L744 VanDerWaalsContact O-N 3.11Å
741S63.2Low62.5Low74 Ų74111 Ų11152%0.51764%0.643SS.*Hα-helixtrans-63.5-40.3-179.9-52.40000113.3V745S741-V745 WeakPolarHBondContact O-CG2 3.37Å; S741-V745 PolarHBondContact O-N 2.67Å; S741-V745 VanDerWaalsContact O-N 3.13Å
742S69.4Low64.8Low74 Ų74108.7 Ų108.752%0.51763%0.631SS.*Hα-helixtrans-70.7-36.7179.152.70000112.5A739 Y740 V745 A746A739-S742 PolarHBondContact O-OG 2.87Å; A739-S742 VanDerWaalsContact O-OG 3.1Å; Y740-S742 PolarHBondContact O-N 3.07Å; S742-V745 PolarHBondContact O-N 3.24Å; S742-A746 PolarHBondContact O-N 3.49Å
743I77.7Confident67.5Low94 Ų94104.6 Ų104.648%0.48261%0.612SS.*Hα-helixtrans-62.7-46.9175-64.7168.7000110.3A739 Y740 V745 A746 M747A739-I743 WeakPolarHBondContact O-CD1 3.4Å; A739-I743 WeakPolarHBondContact O-CG1 3.36Å; Y740-I743 PolarHBondContact O-N 3.01Å; I743-V745 PolarHBondContact O-N 3.16Å; I743-A746 PolarHBondContact O-N 2.94Å; I743-M747 HydrophobicContact CG2-SD 4.32Å; I743-M747 WeakPolarHBondContact O-CG 3.38Å; I743-M747 PolarHBondContact O-N 3.49Å
744L79.3Confident70Confident113 Ų113101.3 Ų101.359%0.59259%0.588SS**Hα-helixtrans-62-41.2178.1-69.9172000112.3Y740 M747 V748Y740-L744 WeakPolarHBondContact O-CG 3.35Å; Y740-L744 PolarHBondContact O-N 2.92Å; Y740-L744 VanDerWaalsContact O-N 3.11Å; L744-M747 PolarHBondContact O-N 2.9Å; L744-V748 WeakPolarHBondContact O-CG2 3.45Å; L744-V748 PolarHBondContact O-N 2.94Å
745V80.1Confident72.6Confident89 Ų8999 Ų9954%0.53957%0.569SS.*Hα-helixtrans-61.9-43.8174.6169.40000111.3S741 S742 I743 M747 V748 I749S741-V745 WeakPolarHBondContact O-CG2 3.37Å; S741-V745 PolarHBondContact O-N 2.67Å; S741-V745 VanDerWaalsContact O-N 3.13Å; S742-V745 PolarHBondContact O-N 3.24Å; I743-V745 PolarHBondContact O-N 3.16Å; V745-M747 PolarHBondContact O-N 2.74Å; V745-V748 PolarHBondContact O-N 3.5Å; V745-I749 HydrophobicContact CG1-CD1 3.84Å; V745-I749 WeakPolarHBondContact O-CG1 3.25Å; V745-I749 PolarHBondContact O-N 3.02Å
746A83.8Confident74.9Confident48 Ų4891 Ų9140%0.39754%0.543SS..Hα-helixtrans-62-42.6176.900000112.3S742 I743 I749 L750S742-A746 PolarHBondContact O-N 3.49Å; I743-A746 PolarHBondContact O-N 2.94Å; A746-I749 PolarHBondContact O-N 3.26Å; A746-L750 WeakPolarHBondContact O-CG 3.16Å; A746-L750 PolarHBondContact O-N 3.47Å
747M81.4Confident77.1Confident123 Ų12392.2 Ų92.261%0.60653%0.532SS*.Hα-helixtrans-64.9-39.2177.3-67.6-172.975.700112.5I743 L744 V745 L750 L751I743-M747 HydrophobicContact CG2-SD 4.32Å; I743-M747 WeakPolarHBondContact O-CG 3.38Å; I743-M747 PolarHBondContact O-N 3.49Å; L744-M747 PolarHBondContact O-N 2.9Å; V745-M747 PolarHBondContact O-N 2.74Å; M747-L750 PolarHBondContact O-N 3.28Å; M747-L751 WeakPolarHBondContact O-CB 3.44Å; M747-L751 PolarHBondContact O-N 3.11Å
748V88.1Confident79Confident83 Ų8392.1 Ų92.150%0.50353%0.531SS..Hα-helixtrans-66.2-37.8175.3170.90000111.7L744 V745 N752L744-V748 WeakPolarHBondContact O-CG2 3.45Å; L744-V748 PolarHBondContact O-N 2.94Å; V745-V748 PolarHBondContact O-N 3.5Å; V748-N752 PolarHBondContact O-N 3.44Å; V748-N752 VanDerWaalsContact O-N 3.11Å; V748-N752 PolarHBondContact O-ND2 2.76Å
749I89.9Confident80.3Confident92 Ų9293.5 Ų93.547%0.47252%0.523SS..Hα-helixtrans-64.9-47.9175.4-69.5165.9000110.6V745 A746 L751 N752 I753V745-I749 HydrophobicContact CG1-CD1 3.84Å; V745-I749 WeakPolarHBondContact O-CG1 3.25Å; V745-I749 PolarHBondContact O-N 3.02Å; A746-I749 PolarHBondContact O-N 3.26Å; I749-L751 VanDerWaalsContact C-N 3.35Å; I749-L751 PolarHBondContact O-N 3.37Å; I749-N752 PolarHBondContact O-N 2.83Å; I749-I753 HydrophobicContact CG2-CD1 3.82Å; I749-I753 WeakPolarHBondContact O-CG1 3.37Å; I749-I753 PolarHBondContact O-N 3.01Å
750L88.5Confident81.8Confident122 Ų12295.3 Ų95.364%0.63952%0.523SS*.Hα-helixtrans-62.2-39.9178.4-70.5170.2000112.4A746 M747 I753 G754A746-L750 WeakPolarHBondContact O-CG 3.16Å; A746-L750 PolarHBondContact O-N 3.47Å; M747-L750 PolarHBondContact O-N 3.28Å; L750-I753 PolarHBondContact O-N 3.05Å; L750-G754 PolarHBondContact O-N 2.69Å
751L90.4Very high82.6Confident119 Ų11994.3 Ų94.362%0.62352%0.524SS*.Hα-helixtrans-61.3-46175.4-17765.7000111.8M747 I749 I753 G754 V755M747-L751 WeakPolarHBondContact O-CB 3.44Å; M747-L751 PolarHBondContact O-N 3.11Å; I749-L751 VanDerWaalsContact C-N 3.35Å; I749-L751 PolarHBondContact O-N 3.37Å; L751-I753 VanDerWaalsContact C-N 3.35Å; L751-I753 PolarHBondContact O-N 2.93Å; L751-G754 PolarHBondContact O-N 2.98Å; L751-V755 WeakPolarHBondContact O-CG2 3.36Å; L751-V755 PolarHBondContact O-N 2.95Å
752N83.3Confident83.1Confident103 Ų10398.7 Ų98.755%0.55153%0.534SS*.Hα-helixtrans-65.1-36.7178.3-76-54.9000112.5V748 I749 V755 A756V748-N752 PolarHBondContact O-N 3.44Å; V748-N752 VanDerWaalsContact O-N 3.11Å; V748-N752 PolarHBondContact O-ND2 2.76Å; I749-N752 PolarHBondContact O-N 2.83Å; N752-V755 PolarHBondContact O-N 2.89Å; N752-A756 WeakPolarHBondContact O-CB 3.34Å; N752-A756 PolarHBondContact O-N 2.94Å
753I89.5Confident83.1Confident89 Ų89102.4 Ų102.446%0.45654%0.541SS..Hα-helixtrans-64.9-44.3173.5-67.8166.1000110.5I749 L750 L751 V755 A756 I757I749-I753 HydrophobicContact CG2-CD1 3.82Å; I749-I753 WeakPolarHBondContact O-CG1 3.37Å; I749-I753 PolarHBondContact O-N 3.01Å; L750-I753 PolarHBondContact O-N 3.05Å; L751-I753 VanDerWaalsContact C-N 3.35Å; L751-I753 PolarHBondContact O-N 2.93Å; I753-V755 PolarHBondContact O-N 3.12Å; I753-A756 PolarHBondContact O-N 3.45Å; I753-I757 HydrophobicContact CG2-CD1 3.86Å; I753-I757 WeakPolarHBondContact O-CG1 3.38Å; I753-I757 PolarHBondContact O-N 3.31Å
754G85.6Confident82.5Confident30 Ų30106.5 Ų106.531%0.30956%0.562SS.*Hα-helixtrans-59.8-45175.600000112.9L750 L751 A756 I757 L758L750-G754 PolarHBondContact O-N 2.69Å; L751-G754 PolarHBondContact O-N 2.98Å; G754-A756 PolarHBondContact O-N 2.99Å; G754-I757 PolarHBondContact O-N 3.03Å; G754-L758 WeakPolarHBondContact O-CG 3.36Å; G754-L758 PolarHBondContact O-N 3.03Å
755V87.7Confident82.7Confident81 Ų81106.2 Ų106.249%0.49156%0.561SS.*Hα-helixtrans-62.6-41.1174.9172.30000111.5L751 N752 I753 L758 F759L751-V755 WeakPolarHBondContact O-CG2 3.36Å; L751-V755 PolarHBondContact O-N 2.95Å; N752-V755 PolarHBondContact O-N 2.89Å; I753-V755 PolarHBondContact O-N 3.12Å; V755-L758 PolarHBondContact O-N 3.49Å; V755-F759 WeakPolarHBondContact O-CB 3.41Å; V755-F759 PolarHBondContact O-N 3.36Å
756A85.1Confident82.8Confident49 Ų49107.1 Ų107.141%0.40556%0.562SS.*Hα-helixtrans-64-40.9176.800000112.6N752 I753 G754 F759 I760N752-A756 WeakPolarHBondContact O-CB 3.34Å; N752-A756 PolarHBondContact O-N 2.94Å; I753-A756 PolarHBondContact O-N 3.45Å; G754-A756 PolarHBondContact O-N 2.99Å; A756-F759 PolarHBondContact O-N 3.13Å; A756-I760 WeakPolarHBondContact O-CG1 3.42Å; A756-I760 PolarHBondContact O-N 2.97Å
757I87.9Confident82.8Confident95 Ų95110.4 Ų110.449%0.48757%0.571SS.*Hα-helixtrans-63.9-45.7175.8-68.2165000110.6I753 G754 F759 I760 H761I753-I757 HydrophobicContact CG2-CD1 3.86Å; I753-I757 WeakPolarHBondContact O-CG1 3.38Å; I753-I757 PolarHBondContact O-N 3.31Å; G754-I757 PolarHBondContact O-N 3.03Å; I757-F759 VanDerWaalsContact C-N 3.29Å; I757-F759 PolarHBondContact O-N 3.35Å; I757-I760 PolarHBondContact O-N 3.22Å; I757-H761 PolarHBondContact O-N 3.42Å
758L85.4Confident82.9Confident127 Ų127109.6 Ų109.667%0.66557%0.569SS**Hα-helixtrans-61.7-37175.5-71.6170.7000112.3G754 V755 H761 F762G754-L758 WeakPolarHBondContact O-CG 3.36Å; G754-L758 PolarHBondContact O-N 3.03Å; V755-L758 PolarHBondContact O-N 3.49Å; L758-H761 CarbonylContact O-C 3.58Å; L758-H761 PolarHBondContact O-N 3.11Å; L758-F762 PolarHBondContact O-N 3.41Å; L758-F762 VanDerWaalsContact O-N 3.14Å
759F82.9Confident82.5Confident134 Ų134111.3 Ų111.359%0.58857%0.573SS**Hα-helixtrans-67.6-42.3176.6-154.5-95.4000111.5V755 A756 I757 H761 F762 F763V755-F759 WeakPolarHBondContact O-CB 3.41Å; V755-F759 PolarHBondContact O-N 3.36Å; A756-F759 PolarHBondContact O-N 3.13Å; I757-F759 VanDerWaalsContact C-N 3.29Å; I757-F759 PolarHBondContact O-N 3.35Å; F759-H761 VanDerWaalsContact C-N 3.34Å; F759-H761 PolarHBondContact O-N 3.41Å; F759-F762 PolarHBondContact O-N 3.47Å; F759-F762 VanDerWaalsContact O-N 3.13Å; F759-F763 HydrophobicContact CD1-CD2 4.03Å; F759-F763 HydrophobicContact CD1-CE2 4Å; F759-F763 AromaticContact CE1-CD2 3.91Å; F759-F763 HydrophobicContact CE1-CD2 3.91Å; F759-F763 AromaticContact CE1-CE2 3.47Å; F759-F763 HydrophobicContact CE1-CE2 3.47Å; F759-F763 VanDerWaalsContact CE1-CE2 3.47Å; F759-F763 HydrophobicContact CE1-CZ 4.4Å; F759-F763 HydrophobicContact CE2-CE2 4.3Å; F759-F763 HydrophobicContact CZ-CD2 4.48Å; F759-F763 AromaticContact CZ-CE2 3.65Å; F759-F763 HydrophobicContact CZ-CE2 3.65Å; F759-F763 HydrophobicContact CZ-CZ 4.42Å; F759-F763 WeakPolarHBondContact O-CD2 3.49Å; F759-F763 PolarHBondContact O-N 3.1Å
760I82.1Confident82.1Confident101 Ų101112.6 Ų112.652%0.51858%0.58SS.*Hα-helixtrans-61-44.1173.5-68.7163.2000110.4A756 I757 F762 F763 I764A756-I760 WeakPolarHBondContact O-CG1 3.42Å; A756-I760 PolarHBondContact O-N 2.97Å; I757-I760 PolarHBondContact O-N 3.22Å; I760-F762 PolarHBondContact O-N 3Å; I760-F762 VanDerWaalsContact O-N 3.16Å; I760-F763 PolarHBondContact O-N 3.44Å; I760-F763 VanDerWaalsContact O-N 3.16Å; I760-I764 HydrophobicContact CG2-CD1 3.72Å; I760-I764 WeakPolarHBondContact O-CG1 3.42Å; I760-I764 PolarHBondContact O-N 2.87Å
761H72.4Confident81.6Confident140 Ų140111.9 Ų111.965%0.64858%0.576SS**THydrogen-bonded Turntrans-69.7-3.1176-108.4-64.3000115.4I757 L758 F759I757-H761 PolarHBondContact O-N 3.42Å; L758-H761 CarbonylContact O-C 3.58Å; L758-H761 PolarHBondContact O-N 3.11Å; F759-H761 VanDerWaalsContact C-N 3.34Å; F759-H761 PolarHBondContact O-N 3.41Å
762F75.4Confident80.9Confident166 Ų166111.4 Ų111.473%0.72857%0.572SS**THydrogen-bonded Turntrans-101.1-10.1173.7-168.1-95.2000112.7L758 F759 I760L758-F762 PolarHBondContact O-N 3.41Å; L758-F762 VanDerWaalsContact O-N 3.14Å; F759-F762 PolarHBondContact O-N 3.47Å; F759-F762 VanDerWaalsContact O-N 3.13Å; I760-F762 PolarHBondContact O-N 3Å; I760-F762 VanDerWaalsContact O-N 3.16Å
763F68Low80.7Confident152 Ų152112.1 Ų112.167%0.66757%0.574SS**  trans-116.111.7178.4-78-83.7000113.3F759 I760F759-F763 HydrophobicContact CD1-CD2 4.03Å; F759-F763 HydrophobicContact CD1-CE2 4Å; F759-F763 AromaticContact CE1-CD2 3.91Å; F759-F763 HydrophobicContact CE1-CD2 3.91Å; F759-F763 AromaticContact CE1-CE2 3.47Å; F759-F763 HydrophobicContact CE1-CE2 3.47Å; F759-F763 VanDerWaalsContact CE1-CE2 3.47Å; F759-F763 HydrophobicContact CE1-CZ 4.4Å; F759-F763 HydrophobicContact CE2-CE2 4.3Å; F759-F763 HydrophobicContact CZ-CD2 4.48Å; F759-F763 AromaticContact CZ-CE2 3.65Å; F759-F763 HydrophobicContact CZ-CE2 3.65Å; F759-F763 HydrophobicContact CZ-CZ 4.42Å; F759-F763 WeakPolarHBondContact O-CD2 3.49Å; F759-F763 PolarHBondContact O-N 3.1Å; I760-F763 PolarHBondContact O-N 3.44Å; I760-F763 VanDerWaalsContact O-N 3.16Å
764I66.4Low79.9Confident181 Ų181114.2 Ų114.293%0.92859%0.585SS**  trans-119.40171.4-61.6173.6000107.9I760I760-I764 HydrophobicContact CG2-CD1 3.72Å; I760-I764 WeakPolarHBondContact O-CG1 3.42Å; I760-I764 PolarHBondContact O-N 2.87Å

Retrieved 764 of 764 residues in 228 ms (Link to these results)

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