G4VGX1_SCHMA Loading...

Putative actin-depolymerizing factor

AlphaFold DB , UniProt , Accession G4VGX1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 140 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
1M39.5Very low69Low226 Ų22682.4 Ų82.4100%1.11347%0.472SS*.  0112.20-116.1173.5-82.300106.7S3M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 3.08Å
2N43.5Very low70.4Confident171 Ų17179.7 Ų79.791%0.91446%0.46SS*.  trans-66.896.7167.3-108.15.5000105.4G4N2-G4 PolarHBondContact O-N 3.31Å
3S50.5Low71.9Confident34 Ų3481.6 Ų81.624%0.23847%0.466CS..  trans-58112.7165.5-51.10000104.7M1 V5 A101M1-S3 VanDerWaalsContact C-N 3.28Å; M1-S3 PolarHBondContact O-N 3.08Å; S3-V5 PolarHBondContact O-N 3.06Å; S3-A101 WeakPolarHBondContact OG-CB 3.4Å; S3-A101 PolarHBondContact OG-O 3.41Å
4G57.8Low73.3Confident70 Ų7075.9 Ų75.972%0.72243%0.433SS*.  trans-67.931.3178.300000112.1N2 K6N2-G4 PolarHBondContact O-N 3.31Å; G4-K6 PolarHBondContact O-N 3.48Å
5V67.4Low74.5Confident19 Ų1971.9 Ų71.912%0.11541%0.409CS..  trans-63.5110.1179.41680000107.5S3 G35 V37 S102S3-V5 PolarHBondContact O-N 3.06Å; V5-G35 VanDerWaalsContact CA-O 3.26Å; V5-G35 WeakPolarHBondContact CA-O 3.44Å; V5-G35 WeakPolarHBondContact CB-O 3.42Å; V5-G35 VanDerWaalsContact CG1-O 3.3Å; V5-G35 WeakPolarHBondContact CG1-O 3.31Å; V5-G35 WeakPolarHBondContact CG2-O 3.26Å; V5-V37 HydrophobicContact CG1-CB 4.32Å; V5-V37 HydrophobicContact CG1-CG2 3.29Å; V5-S102 WeakPolarHBondContact CG2-OG 3.48Å
6K75.9Confident75.5Confident160 Ų16073.7 Ų73.770%0.69641%0.413SS*.PPolyproline II helixtrans-82.3135.7173.9-65.2179.1-1771780106.7G4 E36 V37G4-K6 PolarHBondContact O-N 3.48Å; K6-E36 HydrophobicContact CB-CG 4.39Å; K6-E36 CarbonylContact O-C 3.56Å; K6-E36 WeakPolarHBondContact O-CA 3.21Å; K6-E36 VanDerWaalsContact O-CG 3.22Å; K6-E36 WeakPolarHBondContact O-CG 3.32Å; K6-V37 PolarHBondContact O-N 3.48Å
7C78.8Confident76.5Confident30 Ų3070.9 Ų70.920%0.20340%0.396CS..BIsolated β-bridgetrans-84.6130.1165.6-70.10000107.2C11 Q109C7-C11 HydrophobicContact CB-CB 4.27Å; C7-Q109 HydrophobicContact CB-CG 4Å
8H84.7Confident77.4Confident76 Ų7666.9 Ų66.935%0.35237%0.374SS..PPolyproline II helixtrans-57.9144.2171.8-170.3-94.4000108.9S10 C11 E36 V37H8-S10 PolarHBondContact ND1-N 3.38Å; H8-S10 PolarHBondContact ND1-OG 2.86Å; H8-S10 PolarHBondContact O-N 2.83Å; H8-C11 VanDerWaalsContact O-CB 3.31Å; H8-C11 WeakPolarHBondContact O-CB 3.34Å; H8-C11 PolarHBondContact O-N 3.03Å; H8-C11 PolarHBondContact O-SG 2.85Å; H8-E36 VanDerWaalsContact CA-OE1 3.31Å; H8-E36 WeakPolarHBondContact CA-OE1 3.47Å; H8-E36 HydrophobicContact CB-CG 4.42Å; H8-E36 WeakPolarHBondContact CB-OE1 3.46Å; H8-E36 IonicContact CD2-OE1 2.63Å; H8-E36 PolarHBondContact CD2-OE1 3.15Å; H8-E36 VanDerWaalsContact CD2-OE1 3.31Å; H8-E36 IonicContact CG-OE1 3.48Å; H8-V37 WeakPolarHBondContact CB-O 3.49Å; H8-V37 PolarHBondContact N-O 3.38Å
9S83.8Confident78Confident87 Ų8767 Ų6761%0.60837%0.37SS*.THydrogen-bonded Turntrans-59.1-20.1-174.656.60000113.7C11 P12S9-C11 VanDerWaalsContact C-N 3.35Å; S9-P12 WeakPolarHBondContact O-CD 3.48Å; S9-P12 WeakPolarHBondContact O-CG 3.46Å
10S87.9Confident78.6Confident33 Ų3369.7 Ų69.723%0.23138%0.382CS..Hα-helixtrans-72.5-22.4174.762.70000114.1H8 I13 A14 I39H8-S10 PolarHBondContact ND1-N 3.38Å; H8-S10 PolarHBondContact ND1-OG 2.86Å; H8-S10 PolarHBondContact O-N 2.83Å; S10-I13 WeakPolarHBondContact O-CB 3.27Å; S10-I13 PolarHBondContact O-N 3.34Å; S10-A14 PolarHBondContact O-N 2.76Å; S10-I39 WeakPolarHBondContact OG-CD1 3.08Å
11C88.9Confident79.1Confident0 Ų070.4 Ų70.40%039%0.385CS..Hα-helixtrans-59.9-52.9-177.6-66.30000113.7C7 H8 S9 I13 A14 F15 F29 V37 F110C7-C11 HydrophobicContact CB-CB 4.27Å; H8-C11 VanDerWaalsContact O-CB 3.31Å; H8-C11 WeakPolarHBondContact O-CB 3.34Å; H8-C11 PolarHBondContact O-N 3.03Å; H8-C11 PolarHBondContact O-SG 2.85Å; S9-C11 VanDerWaalsContact C-N 3.35Å; C11-I13 PolarHBondContact O-N 2.85Å; C11-A14 PolarHBondContact O-N 3.11Å; C11-F15 PolarHBondContact O-N 3.48Å; C11-F29 HydrophobicContact CB-CD1 4.34Å; C11-F29 HydrophobicContact CB-CE1 3.93Å; C11-V37 PolarHBondContact SG-O 2.83Å; C11-F110 HydrophobicContact CB-CE1 4.31Å; C11-F110 HydrophobicContact CB-CZ 4.42Å
12P86.3Confident81.5Confident50 Ų5063 Ų6333%0.32535%0.346SS..Hα-helixtrans-63.7-29.9175.624.5-34.7000112.8S9 F15 H16S9-P12 WeakPolarHBondContact O-CD 3.48Å; S9-P12 WeakPolarHBondContact O-CG 3.46Å; P12-F15 PolarHBondContact O-N 2.88Å; P12-H16 WeakPolarHBondContact O-CB 3.15Å; P12-H16 PolarHBondContact O-N 3.14Å
13I90.2Very high83.7Confident105 Ų10560 Ų6054%0.53833%0.326SS..Hα-helixtrans-65.9-48.9176.4-58.5174.4000110.3S10 C11 F15 H16 D17S10-I13 WeakPolarHBondContact O-CB 3.27Å; S10-I13 PolarHBondContact O-N 3.34Å; C11-I13 PolarHBondContact O-N 2.85Å; I13-F15 VanDerWaalsContact C-N 3.31Å; I13-F15 PolarHBondContact O-N 3.06Å; I13-H16 PolarHBondContact O-N 3.46Å; I13-D17 PolarHBondContact O-N 3.15Å
14A91.4Very high85.8Confident1 Ų159.9 Ų59.91%0.00832%0.321CS..Hα-helixtrans-64-37.5177.600000112.2S10 C11 D17 L18 V27 I39S10-A14 PolarHBondContact O-N 2.76Å; C11-A14 PolarHBondContact O-N 3.11Å; A14-D17 PolarHBondContact O-N 3.43Å; A14-L18 WeakPolarHBondContact O-CB 3.21Å; A14-L18 PolarHBondContact O-N 3Å; A14-V27 HydrophobicContact CB-CG1 4.25Å; A14-V27 HydrophobicContact CB-CG2 4.45Å; A14-I39 HydrophobicContact CB-CD1 3.49Å; A14-I39 VanDerWaalsContact CB-CD1 3.49Å; A14-I39 HydrophobicContact CB-CG1 4.17Å
15F91.3Very high87.6Confident16 Ų1658 Ų587%0.0729%0.292CS..Hα-helixtrans-62.2-45.8172.6175.6-114.5000112.1C11 P12 I13 L18 K19 V69 L81 F110 Q111 I113C11-F15 PolarHBondContact O-N 3.48Å; P12-F15 PolarHBondContact O-N 2.88Å; I13-F15 VanDerWaalsContact C-N 3.31Å; I13-F15 PolarHBondContact O-N 3.06Å; F15-L18 PolarHBondContact O-N 2.76Å; F15-K19 HydrophobicContact CE1-CD 3.98Å; F15-K19 HydrophobicContact CE2-CB 4.44Å; F15-K19 HydrophobicContact CE2-CD 4.41Å; F15-K19 HydrophobicContact CZ-CB 4.44Å; F15-K19 HydrophobicContact CZ-CD 3.69Å; F15-K19 WeakPolarHBondContact O-CB 3.41Å; F15-K19 PolarHBondContact O-N 3.28Å; F15-V69 HydrophobicContact CD2-CG1 3.88Å; F15-V69 HydrophobicContact CD2-CG2 4.23Å; F15-V69 HydrophobicContact CE2-CG1 3.94Å; F15-L81 HydrophobicContact CE2-CD1 4.47Å; F15-F110 HydrophobicContact CB-CD1 3.6Å; F15-F110 HydrophobicContact CB-CE1 3.84Å; F15-F110 HydrophobicContact CD1-CB 4.26Å; F15-F110 AromaticContact CD1-CD1 4Å; F15-F110 HydrophobicContact CD1-CD1 4Å; F15-F110 HydrophobicContact CD2-CB 4.04Å; F15-F110 HydrophobicContact CD2-CD1 4.01Å; F15-F110 HydrophobicContact CD2-CG 4.14Å; F15-F110 HydrophobicContact CE1-CB 4.15Å; F15-F110 HydrophobicContact CE2-CB 3.96Å; F15-F110 HydrophobicContact CG-CB 4.19Å; F15-F110 AromaticContact CG-CD1 3.58Å; F15-F110 HydrophobicContact CG-CD1 3.58Å; F15-F110 HydrophobicContact CG-CE1 4.32Å; F15-F110 HydrophobicContact CG-CG 4.15Å; F15-F110 HydrophobicContact CZ-CB 3.99Å; F15-Q111 WeakPolarHBondContact CE1-O 3.25Å; F15-Q111 WeakPolarHBondContact CZ-O 3.48Å; F15-I113 HydrophobicContact CE2-CD1 3.7Å; F15-I113 HydrophobicContact CE2-CG1 3.77Å; F15-I113 HydrophobicContact CZ-CD1 4.23Å; F15-I113 HydrophobicContact CZ-CG1 3.9Å
16H90.7Very high89.1Confident101 Ų10157.1 Ų57.147%0.46829%0.287SS..Hα-helixtrans-61.5-44.4176.8-179.1-85.7000111.8P12 I13 L18 K19 M20P12-H16 WeakPolarHBondContact O-CB 3.15Å; P12-H16 PolarHBondContact O-N 3.14Å; I13-H16 PolarHBondContact O-N 3.46Å; H16-L18 VanDerWaalsContact C-N 3.33Å; H16-L18 PolarHBondContact O-N 3.1Å; H16-K19 PolarHBondContact O-N 3.23Å; H16-M20 WeakPolarHBondContact O-CB 3.39Å; H16-M20 PolarHBondContact O-N 3.47Å
17D92Very high90.1Very high26 Ų2649.6 Ų49.614%0.13925%0.254CS..Hα-helixtrans-62.1-37.1175.9-89.8-30.9000112.9I13 A14 N21 K22 K23I13-D17 PolarHBondContact O-N 3.15Å; A14-D17 PolarHBondContact O-N 3.43Å; D17-N21 CarbonylContact O-C 3.6Å; D17-N21 WeakPolarHBondContact O-CB 3.32Å; D17-N21 PolarHBondContact O-N 2.88Å; D17-N21 PolarHBondContact OD1-ND2 2.88Å; D17-K22 PolarHBondContact O-N 2.89Å; D17-K23 HydrophobicContact CB-CD 4.18Å; D17-K23 PolarHBondContact O-N 2.86Å; D17-K23 VanDerWaalsContact O-N 3.12Å; D17-K23 IonicContact OD1-NZ 3.74Å; D17-K23 PolarHBondContact OD1-NZ 2.75Å; D17-K23 IonicContact OD2-NZ 3.31Å
18L92.2Very high90.9Very high0 Ų048.1 Ų48.10%024%0.244CC..Hα-helixtrans-70-46.9174.3178.4150.8000111.6A14 F15 H16 K22 H24 V27 V69 D71 L81A14-L18 WeakPolarHBondContact O-CB 3.21Å; A14-L18 PolarHBondContact O-N 3Å; F15-L18 PolarHBondContact O-N 2.76Å; H16-L18 VanDerWaalsContact C-N 3.33Å; H16-L18 PolarHBondContact O-N 3.1Å; L18-K22 WeakPolarHBondContact O-CA 3.45Å; L18-K22 PolarHBondContact O-N 3.46Å; L18-H24 HydrophobicContact CB-CB 4.24Å; L18-H24 HydrophobicContact CD1-CB 4.25Å; L18-H24 HydrophobicContact CG-CB 4.43Å; L18-V27 HydrophobicContact CB-CG2 4.34Å; L18-V27 HydrophobicContact CD1-CB 4.41Å; L18-V27 HydrophobicContact CD1-CG2 3.78Å; L18-V69 HydrophobicContact CD1-CG1 4.3Å; L18-V69 WeakPolarHBondContact CD1-O 3.42Å; L18-V69 HydrophobicContact CD2-CG1 3.86Å; L18-D71 HydrophobicContact CD2-CB 4.14Å; L18-L81 HydrophobicContact CD2-CD2 3.41Å; L18-L81 VanDerWaalsContact CD2-CD2 3.41Å
19K89.6Confident91.5Very high68 Ų6844.5 Ų44.530%0.29623%0.228SC..Hα-helixtrans-74.9-51.2-173174.2172.2-177.1-167.10112.9F15 H16 L81 Q111F15-K19 HydrophobicContact CE1-CD 3.98Å; F15-K19 HydrophobicContact CE2-CB 4.44Å; F15-K19 HydrophobicContact CE2-CD 4.41Å; F15-K19 HydrophobicContact CZ-CB 4.44Å; F15-K19 HydrophobicContact CZ-CD 3.69Å; F15-K19 WeakPolarHBondContact O-CB 3.41Å; F15-K19 PolarHBondContact O-N 3.28Å; H16-K19 PolarHBondContact O-N 3.23Å; K19-L81 HydrophobicContact CB-CD1 4.12Å; K19-L81 HydrophobicContact CD-CD1 3.85Å; K19-L81 HydrophobicContact CG-CD1 3.79Å; K19-Q111 PolarHBondContact NZ-O 3.12Å
20M88.8Confident92Very high121 Ų12142.2 Ų42.260%0.59621%0.207SC*.THydrogen-bonded Turntrans-91.2-48.5-171.8-63.1-61.2-7000111.5H16 K22H16-M20 WeakPolarHBondContact O-CB 3.39Å; H16-M20 PolarHBondContact O-N 3.47Å; M20-K22 VanDerWaalsContact C-N 3.35Å
21N90.1Very high92.1Very high84 Ų8441.4 Ų41.445%0.44920%0.2SC..SBendtrans-87.1-8-175.8-60.7-32.3000112.9D17 K23D17-N21 CarbonylContact O-C 3.6Å; D17-N21 WeakPolarHBondContact O-CB 3.32Å; D17-N21 PolarHBondContact O-N 2.88Å; D17-N21 PolarHBondContact OD1-ND2 2.88Å; N21-K23 HydrophobicContact CB-CD 4.18Å; N21-K23 HydrophobicContact CB-CG 3.84Å; N21-K23 PolarHBondContact O-N 3.29Å
22K89.1Confident92.1Very high71 Ų7144.3 Ų44.331%0.30922%0.215SC..  trans47.433.6-177.4-61.2-67.6-167.6172.50112.4D17 L18 M20 H24 R45 D71 T79D17-K22 PolarHBondContact O-N 2.89Å; L18-K22 WeakPolarHBondContact O-CA 3.45Å; L18-K22 PolarHBondContact O-N 3.46Å; M20-K22 VanDerWaalsContact C-N 3.35Å; K22-H24 VanDerWaalsContact C-N 3.28Å; K22-H24 PolarHBondContact O-N 3.35Å; K22-R45 WeakPolarHBondContact O-CD 3.4Å; K22-R45 WeakPolarHBondContact O-CG 3.32Å; K22-D71 WeakPolarHBondContact CD-OD2 3.36Å; K22-D71 IonicContact NZ-OD1 2.86Å; K22-D71 PolarHBondContact NZ-OD1 3.44Å; K22-D71 IonicContact NZ-OD2 2.76Å; K22-D71 PolarHBondContact NZ-OD2 3.22Å; K22-T79 PolarHBondContact NZ-OG1 3.37Å
23K91.3Very high91.8Very high109 Ų10950.1 Ų50.147%0.47424%0.244SC..  trans-72.8-24.2-179.3-73.5-179.9-175.9163.20113.1D17 N21 R45D17-K23 HydrophobicContact CB-CD 4.18Å; D17-K23 PolarHBondContact O-N 2.86Å; D17-K23 VanDerWaalsContact O-N 3.12Å; D17-K23 IonicContact OD1-NZ 3.74Å; D17-K23 PolarHBondContact OD1-NZ 2.75Å; D17-K23 IonicContact OD2-NZ 3.31Å; N21-K23 HydrophobicContact CB-CD 4.18Å; N21-K23 HydrophobicContact CB-CG 3.84Å; N21-K23 PolarHBondContact O-N 3.29Å; K23-R45 PolarHBondContact O-N 3.43Å
24H94.5Very high91.3Very high31 Ų3148.8 Ų48.814%0.14426%0.256CS..EExtended strand (participates in β ladder)trans-127.7144-173.2-60.1-53.2000109.8L18 K22 V27 A43 R45L18-H24 HydrophobicContact CB-CB 4.24Å; L18-H24 HydrophobicContact CD1-CB 4.25Å; L18-H24 HydrophobicContact CG-CB 4.43Å; K22-H24 VanDerWaalsContact C-N 3.28Å; K22-H24 PolarHBondContact O-N 3.35Å; H24-V27 HydrophobicContact CB-CG2 4.19Å; H24-A43 WeakPolarHBondContact CA-O 3.17Å; H24-A43 WeakPolarHBondContact CB-O 3.44Å; H24-A43 PolarHBondContact ND1-O 3.47Å; H24-R45 PolarHBondContact O-NH1 3.34Å
25R95.7Very high90.9Very high29 Ų2949.8 Ų49.811%0.10927%0.267CS..EExtended strand (participates in β ladder)trans-77.9-45.8171.2-174.962.457.7170.97.5111A43 E44 R45 A47 Y70 D71 E73R25-A43 PolarHBondContact N-O 3.19Å; R25-E44 WeakPolarHBondContact CB-O 3.2Å; R25-E44 PolarHBondContact N-O 3.49Å; R25-E44 VanDerWaalsContact N-O 3.13Å; R25-R45 VanDerWaalsContact CZ-O 3.31Å; R25-R45 PolarHBondContact NE-O 3.22Å; R25-R45 PolarHBondContact NH2-O 3.07Å; R25-A47 HydrophobicContact CB-CB 4.07Å; R25-A47 WeakPolarHBondContact CG-O 3.45Å; R25-Y70 HydrophobicContact CG-CD2 4.27Å; R25-Y70 HydrophobicContact CG-CE2 3.7Å; R25-Y70 WeakPolarHBondContact O-CD2 3.15Å; R25-D71 VanDerWaalsContact CD-O 3.22Å; R25-D71 WeakPolarHBondContact CD-O 3.35Å; R25-D71 PolarHBondContact O-N 3.35Å; R25-E73 IonicContact CZ-OE2 3.85Å; R25-E73 IonicContact NH1-OE2 2.58Å; R25-E73 PolarHBondContact NH1-OE2 3.07Å; R25-E73 IonicContact NH2-OE2 2.88Å; R25-E73 PolarHBondContact NH2-OE2 2.98Å
26Y97Very high90.8Very high2 Ų252.5 Ų52.51%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-145.5155.8174.558.2-89.4000111.1L28 A43 A47 N51 F52 D55 V69 Y70Y26-L28 HydrophobicContact CD2-CD2 3.62Å; Y26-L28 HydrophobicContact CD2-CG 3.98Å; Y26-L28 HydrophobicContact CE2-CD1 4.26Å; Y26-L28 HydrophobicContact CE2-CD2 3.92Å; Y26-L28 HydrophobicContact CE2-CG 4.03Å; Y26-A43 HydrophobicContact CD1-CB 3.64Å; Y26-A43 HydrophobicContact CD2-CB 3.76Å; Y26-A43 HydrophobicContact CE1-CB 3.36Å; Y26-A43 HydrophobicContact CE2-CB 3.53Å; Y26-A43 HydrophobicContact CG-CB 3.82Å; Y26-A43 WeakPolarHBondContact O-CB 3.35Å; Y26-A43 PolarHBondContact O-N 3.35Å; Y26-A47 HydrophobicContact CE1-CB 3.8Å; Y26-N51 VanDerWaalsContact OH-C 3.29Å; Y26-N51 PolarHBondContact OH-O 2.68Å; Y26-F52 HydrophobicContact CD1-CB 4.05Å; Y26-F52 HydrophobicContact CD1-CD2 4.38Å; Y26-F52 HydrophobicContact CD2-CD2 4.03Å; Y26-F52 HydrophobicContact CE1-CB 3.67Å; Y26-F52 HydrophobicContact CE1-CD2 4.48Å; Y26-F52 HydrophobicContact CE2-CD2 4.1Å; Y26-F52 HydrophobicContact CG-CD2 4.17Å; Y26-F52 PolarHBondContact OH-N 3.46Å; Y26-D55 VanDerWaalsContact CE2-OD2 3.24Å; Y26-D55 WeakPolarHBondContact CE2-OD2 3.36Å; Y26-D55 VanDerWaalsContact CZ-OD2 3.32Å; Y26-D55 PolarHBondContact OH-OD2 2.86Å; Y26-V69 CarbonylContact C-O 3.41Å; Y26-V69 WeakPolarHBondContact CA-O 3.45Å; Y26-V69 WeakPolarHBondContact CB-O 3.31Å; Y26-Y70 HydrophobicContact CD1-CD2 4.36Å; Y26-Y70 HydrophobicContact CD1-CE2 4.36Å
27V97.2Very high90.8Very high1 Ų147.7 Ų47.71%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-123.8128171.9-178.10000108.3A14 L18 H24 F29 I39 K41 K42 V68 V69A14-V27 HydrophobicContact CB-CG1 4.25Å; A14-V27 HydrophobicContact CB-CG2 4.45Å; L18-V27 HydrophobicContact CB-CG2 4.34Å; L18-V27 HydrophobicContact CD1-CB 4.41Å; L18-V27 HydrophobicContact CD1-CG2 3.78Å; H24-V27 HydrophobicContact CB-CG2 4.19Å; V27-F29 HydrophobicContact CB-CE2 3.79Å; V27-F29 HydrophobicContact CB-CZ 3.88Å; V27-F29 HydrophobicContact CG1-CD1 4.36Å; V27-F29 HydrophobicContact CG1-CD2 4.18Å; V27-F29 HydrophobicContact CG1-CE1 3.77Å; V27-F29 HydrophobicContact CG1-CE2 3.56Å; V27-F29 HydrophobicContact CG1-CZ 3.33Å; V27-I39 HydrophobicContact CG1-CG2 3.95Å; V27-K41 WeakPolarHBondContact CA-O 3.36Å; V27-K42 HydrophobicContact CG1-CG 4.33Å; V27-K42 HydrophobicContact CG2-CB 4.46Å; V27-K42 HydrophobicContact CG2-CG 4.43Å; V27-V68 WeakPolarHBondContact O-CA 3.4Å; V27-V69 PolarHBondContact N-O 3.47Å; V27-V69 PolarHBondContact O-N 2.95Å
28L97.1Very high90.8Very high0 Ų047.3 Ų47.30%026%0.256CS..EExtended strand (participates in β ladder)trans-95.2132.4174.2-49.9-176.2000108.5Y26 L40 K41 F52 D55 M56 V68Y26-L28 HydrophobicContact CD2-CD2 3.62Å; Y26-L28 HydrophobicContact CD2-CG 3.98Å; Y26-L28 HydrophobicContact CE2-CD1 4.26Å; Y26-L28 HydrophobicContact CE2-CD2 3.92Å; Y26-L28 HydrophobicContact CE2-CG 4.03Å; L28-L40 HydrophobicContact CB-CB 4.12Å; L28-L40 HydrophobicContact CB-CD2 4.44Å; L28-L40 PolarHBondContact O-N 2.98Å; L28-K41 HydrophobicContact CB-CB 4.17Å; L28-K41 HydrophobicContact CD1-CB 3.96Å; L28-K41 HydrophobicContact CD1-CD 4.17Å; L28-K41 HydrophobicContact CG-CB 4.16Å; L28-K41 PolarHBondContact N-O 3.06Å; L28-K41 PolarHBondContact O-N 3.43Å; L28-F52 HydrophobicContact CD2-CE2 4.38Å; L28-D55 HydrophobicContact CD1-CB 3.76Å; L28-M56 HydrophobicContact CD1-CE 4.18Å; L28-M56 HydrophobicContact CD2-CE 3.68Å; L28-V68 HydrophobicContact CD2-CB 4.36Å; L28-V68 HydrophobicContact CD2-CG1 3.96Å; L28-V68 HydrophobicContact CD2-CG2 3.79Å
29F95.6Very high90.9Very high0 Ų049 Ų490%027%0.265CS..EExtended strand (participates in β ladder)trans-120.9149.7173.5-52-93.8000109.2C11 V27 V37 S38 I39 R66 Y67 V69 F110C11-F29 HydrophobicContact CB-CD1 4.34Å; C11-F29 HydrophobicContact CB-CE1 3.93Å; V27-F29 HydrophobicContact CB-CE2 3.79Å; V27-F29 HydrophobicContact CB-CZ 3.88Å; V27-F29 HydrophobicContact CG1-CD1 4.36Å; V27-F29 HydrophobicContact CG1-CD2 4.18Å; V27-F29 HydrophobicContact CG1-CE1 3.77Å; V27-F29 HydrophobicContact CG1-CE2 3.56Å; V27-F29 HydrophobicContact CG1-CZ 3.33Å; F29-V37 HydrophobicContact CB-CG1 3.9Å; F29-V37 HydrophobicContact CD1-CG1 4.44Å; F29-V37 HydrophobicContact CG-CG1 4.48Å; F29-S38 CarbonylContact C-O 3.56Å; F29-S38 WeakPolarHBondContact CA-O 3.22Å; F29-S38 WeakPolarHBondContact CB-O 3.43Å; F29-I39 HydrophobicContact CD1-CG1 3.9Å; F29-I39 HydrophobicContact CE1-CG1 3.68Å; F29-R66 CarbonylContact O-C 3.54Å; F29-R66 VanDerWaalsContact O-CA 3.32Å; F29-R66 WeakPolarHBondContact O-CA 3.26Å; F29-Y67 PolarHBondContact N-O 3.36Å; F29-Y67 PolarHBondContact O-N 3.48Å; F29-V69 HydrophobicContact CE2-CB 4.33Å; F29-V69 HydrophobicContact CE2-CG2 3.89Å; F29-F110 HydrophobicContact CD1-CZ 4.38Å; F29-F110 HydrophobicContact CD2-CE2 4.33Å; F29-F110 HydrophobicContact CD2-CZ 4.24Å; F29-F110 HydrophobicContact CE1-CE1 4.49Å; F29-F110 AromaticContact CE1-CZ 3.91Å; F29-F110 HydrophobicContact CE1-CZ 3.91Å; F29-F110 HydrophobicContact CE2-CE2 4.02Å; F29-F110 AromaticContact CE2-CZ 3.77Å; F29-F110 HydrophobicContact CE2-CZ 3.77Å; F29-F110 HydrophobicContact CZ-CE1 4.12Å; F29-F110 HydrophobicContact CZ-CE2 4.3Å; F29-F110 AromaticContact CZ-CZ 3.58Å; F29-F110 HydrophobicContact CZ-CZ 3.58Å
30H94.2Very high91.2Very high38 Ų3849.2 Ų49.218%0.17627%0.269CS..EExtended strand (participates in β ladder)trans-135.4158.7175.772117.9000109.8N32 V37 S38 L40H30-N32 PolarHBondContact CE1-OD1 2.76Å; H30-N32 PolarHBondContact ND1-OD1 2.93Å; H30-N32 PolarHBondContact NE2-OD1 3.44Å; H30-V37 WeakPolarHBondContact O-CA 3.32Å; H30-S38 PolarHBondContact CD2-O 3.31Å; H30-S38 PolarHBondContact CD2-OG 2.9Å; H30-S38 PolarHBondContact N-O 3.02Å; H30-S38 PolarHBondContact NE2-OG 2.96Å; H30-S38 PolarHBondContact O-N 3.42Å; H30-L40 HydrophobicContact CB-CB 4.41Å
31I91.9Very high91.5Very high17 Ų1747.5 Ų47.59%0.08726%0.258CS..EExtended strand (participates in β ladder)trans-95120.4173.3-55.1176.6000107.6E36 V37 Y67 V98 Y99I31-E36 WeakPolarHBondContact CA-O 3.48Å; I31-V37 HydrophobicContact CG1-CG2 3.83Å; I31-Y67 HydrophobicContact CD1-CE2 3.83Å; I31-Y67 HydrophobicContact CG1-CE2 3.98Å; I31-V98 HydrophobicContact CD1-CG1 3.82Å; I31-V98 HydrophobicContact CG2-CG1 4.05Å; I31-Y99 HydrophobicContact CB-CE1 4.41Å; I31-Y99 HydrophobicContact CD1-CD1 3.69Å; I31-Y99 HydrophobicContact CD1-CD2 4.31Å; I31-Y99 HydrophobicContact CD1-CE1 3.76Å; I31-Y99 HydrophobicContact CD1-CE2 4.39Å; I31-Y99 HydrophobicContact CD1-CG 3.94Å; I31-Y99 HydrophobicContact CG1-CD1 4.14Å; I31-Y99 HydrophobicContact CG1-CE1 3.68Å; I31-Y99 PolarHBondContact N-OH 2.94Å
32N86.9Confident91.8Very high60 Ų6048.4 Ų48.432%0.32126%0.258SS..  trans-70.4166.9173.9-65.9-30.9000111.4H30 G34 G35 E36 S38H30-N32 PolarHBondContact CE1-OD1 2.76Å; H30-N32 PolarHBondContact ND1-OD1 2.93Å; H30-N32 PolarHBondContact NE2-OD1 3.44Å; N32-G34 PolarHBondContact O-N 2.88Å; N32-G35 PolarHBondContact O-N 3.15Å; N32-E36 PolarHBondContact N-O 3.25Å; N32-S38 PolarHBondContact ND2-OG 3.46Å; N32-S38 PolarHBondContact OD1-OG 3.18Å
33D80.9Confident92.1Very high173 Ų17345.3 Ų45.393%0.92525%0.246SC*.THydrogen-bonded Turntrans-57.1-26.3175.8-67.2-37.8000113.3G35D33-G35 PolarHBondContact O-N 3.3Å
34G80.5Confident92.3Very high77 Ų7746.9 Ų46.979%0.79426%0.255SS*.THydrogen-bonded Turntrans-75.4-1.1173.200000115.1N32 E36N32-G34 PolarHBondContact O-N 2.88Å; G34-E36 VanDerWaalsContact C-N 3.3Å; G34-E36 PolarHBondContact O-N 3.05Å
35G81.6Confident92.3Very high22 Ų2247.6 Ų47.623%0.22726%0.256CS..SBendtrans74.117.9-17600000113.8V5 N32 D33V5-G35 VanDerWaalsContact CA-O 3.26Å; V5-G35 WeakPolarHBondContact CA-O 3.44Å; V5-G35 WeakPolarHBondContact CB-O 3.42Å; V5-G35 VanDerWaalsContact CG1-O 3.3Å; V5-G35 WeakPolarHBondContact CG1-O 3.31Å; V5-G35 WeakPolarHBondContact CG2-O 3.26Å; N32-G35 PolarHBondContact O-N 3.15Å; D33-G35 PolarHBondContact O-N 3.3Å
36E89.2Confident92.2Very high72 Ų7253 Ų5334%0.33628%0.283SS..  trans-96.4137.7175.4-167.6177.6-174.800110.5K6 H8 I31 N32 G34K6-E36 HydrophobicContact CB-CG 4.39Å; K6-E36 CarbonylContact O-C 3.56Å; K6-E36 WeakPolarHBondContact O-CA 3.21Å; K6-E36 VanDerWaalsContact O-CG 3.22Å; K6-E36 WeakPolarHBondContact O-CG 3.32Å; H8-E36 VanDerWaalsContact CA-OE1 3.31Å; H8-E36 WeakPolarHBondContact CA-OE1 3.47Å; H8-E36 HydrophobicContact CB-CG 4.42Å; H8-E36 WeakPolarHBondContact CB-OE1 3.46Å; H8-E36 IonicContact CD2-OE1 2.63Å; H8-E36 PolarHBondContact CD2-OE1 3.15Å; H8-E36 VanDerWaalsContact CD2-OE1 3.31Å; H8-E36 IonicContact CG-OE1 3.48Å; I31-E36 WeakPolarHBondContact CA-O 3.48Å; N32-E36 PolarHBondContact N-O 3.25Å; G34-E36 VanDerWaalsContact C-N 3.3Å; G34-E36 PolarHBondContact O-N 3.05Å
37V92.2Very high92.1Very high0 Ų053.7 Ų53.70%029%0.289CS..EExtended strand (participates in β ladder)trans-86.6117.5175.8173.80000109.1V5 K6 H8 C11 F29 H30 I31 Y67 V106V5-V37 HydrophobicContact CG1-CB 4.32Å; V5-V37 HydrophobicContact CG1-CG2 3.29Å; K6-V37 PolarHBondContact O-N 3.48Å; H8-V37 WeakPolarHBondContact CB-O 3.49Å; H8-V37 PolarHBondContact N-O 3.38Å; C11-V37 PolarHBondContact SG-O 2.83Å; F29-V37 HydrophobicContact CB-CG1 3.9Å; F29-V37 HydrophobicContact CD1-CG1 4.44Å; F29-V37 HydrophobicContact CG-CG1 4.48Å; H30-V37 WeakPolarHBondContact O-CA 3.32Å; I31-V37 HydrophobicContact CG1-CG2 3.83Å; V37-Y67 HydrophobicContact CG2-CE2 4.28Å; V37-V106 HydrophobicContact CB-CG2 4.34Å; V37-V106 HydrophobicContact CG1-CG2 4.29Å; V37-V106 HydrophobicContact CG2-CG2 3.53Å
38S92.3Very high91.9Very high18 Ų1857 Ų5713%0.12631%0.309CS..EExtended strand (participates in β ladder)trans-119.7162.1176.147.30000111.8F29 H30 N32 L40F29-S38 CarbonylContact C-O 3.56Å; F29-S38 WeakPolarHBondContact CA-O 3.22Å; F29-S38 WeakPolarHBondContact CB-O 3.43Å; H30-S38 PolarHBondContact CD2-O 3.31Å; H30-S38 PolarHBondContact CD2-OG 2.9Å; H30-S38 PolarHBondContact N-O 3.02Å; H30-S38 PolarHBondContact NE2-OG 2.96Å; H30-S38 PolarHBondContact O-N 3.42Å; N32-S38 PolarHBondContact ND2-OG 3.46Å; N32-S38 PolarHBondContact OD1-OG 3.18Å; S38-L40 PolarHBondContact O-N 2.78Å
39I94.3Very high91.7Very high35 Ų3558.9 Ų58.918%0.17932%0.316CS..EExtended strand (participates in β ladder)trans-74.5123.4173.6-59.4162.3000108.3S10 A14 V27 F29 K42S10-I39 WeakPolarHBondContact OG-CD1 3.08Å; A14-I39 HydrophobicContact CB-CD1 3.49Å; A14-I39 VanDerWaalsContact CB-CD1 3.49Å; A14-I39 HydrophobicContact CB-CG1 4.17Å; V27-I39 HydrophobicContact CG1-CG2 3.95Å; F29-I39 HydrophobicContact CD1-CG1 3.9Å; F29-I39 HydrophobicContact CE1-CG1 3.68Å; I39-K42 HydrophobicContact CG2-CG 3.75Å
40L94.8Very high91.7Very high74 Ų7463 Ų6339%0.38734%0.336SS..EExtended strand (participates in β ladder)trans-85.6-49.6172.2-175.964000110.8L28 H30 S38 R66L28-L40 HydrophobicContact CB-CB 4.12Å; L28-L40 HydrophobicContact CB-CD2 4.44Å; L28-L40 PolarHBondContact O-N 2.98Å; H30-L40 HydrophobicContact CB-CB 4.41Å; S38-L40 PolarHBondContact O-N 2.78Å; L40-R66 HydrophobicContact CD2-CG 4.34Å; L40-R66 VanDerWaalsContact CD2-CZ 3.46Å; L40-R66 VanDerWaalsContact CD2-NE 3.35Å
41K95.3Very high91.8Very high85 Ų8564.1 Ų64.137%0.3734%0.343SS..EExtended strand (participates in β ladder)trans-152.3142.4-174.6-172.4178.4-179.5-173.90110.2V27 L28 D55V27-K41 WeakPolarHBondContact CA-O 3.36Å; L28-K41 HydrophobicContact CB-CB 4.17Å; L28-K41 HydrophobicContact CD1-CB 3.96Å; L28-K41 HydrophobicContact CD1-CD 4.17Å; L28-K41 HydrophobicContact CG-CB 4.16Å; L28-K41 PolarHBondContact N-O 3.06Å; L28-K41 PolarHBondContact O-N 3.43Å; K41-D55 IonicContact NZ-OD1 3.6Å; K41-D55 PolarHBondContact NZ-OD1 3.36Å; K41-D55 IonicContact NZ-OD2 3.36Å; K41-D55 PolarHBondContact NZ-OD2 2.89Å
42K95.9Very high92Very high103 Ų10363.3 Ų63.345%0.44834%0.339SS..EExtended strand (participates in β ladder)trans-114.9113.4167.9-48.7178.6-149.2175.10106.8V27 I39V27-K42 HydrophobicContact CG1-CG 4.33Å; V27-K42 HydrophobicContact CG2-CB 4.46Å; V27-K42 HydrophobicContact CG2-CG 4.43Å; I39-K42 HydrophobicContact CG2-CG 3.75Å
43A96.5Very high92.4Very high5 Ų564.3 Ų64.34%0.04134%0.338CS..EExtended strand (participates in β ladder)trans-75.4148.217700000110.2H24 R25 Y26 A47H24-A43 WeakPolarHBondContact CA-O 3.17Å; H24-A43 WeakPolarHBondContact CB-O 3.44Å; H24-A43 PolarHBondContact ND1-O 3.47Å; R25-A43 PolarHBondContact N-O 3.19Å; Y26-A43 HydrophobicContact CD1-CB 3.64Å; Y26-A43 HydrophobicContact CD2-CB 3.76Å; Y26-A43 HydrophobicContact CE1-CB 3.36Å; Y26-A43 HydrophobicContact CE2-CB 3.53Å; Y26-A43 HydrophobicContact CG-CB 3.82Å; Y26-A43 WeakPolarHBondContact O-CB 3.35Å; Y26-A43 PolarHBondContact O-N 3.35Å; A43-A47 HydrophobicContact CB-CB 3.78Å
44E95.4Very high93.1Very high143 Ų14360.6 Ų60.667%0.66832%0.315SS*.EExtended strand (participates in β ladder)trans-63.1165.4172.7-61.7-172.4157.500110.7R25 E46 A47R25-E44 WeakPolarHBondContact CB-O 3.2Å; R25-E44 PolarHBondContact N-O 3.49Å; R25-E44 VanDerWaalsContact N-O 3.13Å; E44-E46 PolarHBondContact O-N 2.95Å; E44-A47 WeakPolarHBondContact O-CB 3.42Å; E44-A47 PolarHBondContact O-N 3.5Å
45R93.9Very high93.9Very high45 Ų4557.4 Ų57.417%0.1728%0.28CS..THydrogen-bonded Turntrans-68.2-28.2-177.4-178.651.4179.9-179.88111.9K22 K23 H24 R25 A47 D71K22-R45 WeakPolarHBondContact O-CD 3.4Å; K22-R45 WeakPolarHBondContact O-CG 3.32Å; K23-R45 PolarHBondContact O-N 3.43Å; H24-R45 PolarHBondContact O-NH1 3.34Å; R25-R45 VanDerWaalsContact CZ-O 3.31Å; R25-R45 PolarHBondContact NE-O 3.22Å; R25-R45 PolarHBondContact NH2-O 3.07Å; R45-A47 VanDerWaalsContact C-N 3.28Å; R45-D71 IonicContact CZ-OD2 3.72Å; R45-D71 VanDerWaalsContact CZ-OD2 3.23Å; R45-D71 IonicContact NH1-OD2 2.76Å; R45-D71 PolarHBondContact NH1-OD2 2.91Å; R45-D71 IonicContact NH2-OD2 3.7Å; R45-D71 PolarHBondContact NH2-OD2 2.93Å
46E93.2Very high94.6Very high143 Ų14356.4 Ų56.467%0.66827%0.269SS*.THydrogen-bonded Turntrans-81.8-7.8-178.8-61.868.7-15000112.3E44 T48E44-E46 PolarHBondContact O-N 2.95Å; E46-T48 PolarHBondContact O-N 3.36Å
47A95Very high94.9Very high16 Ų1655.1 Ų55.113%0.13226%0.264CS..  trans-57.7138.4178.200000110.8R25 Y26 A43 E44 R45 N51R25-A47 HydrophobicContact CB-CB 4.07Å; R25-A47 WeakPolarHBondContact CG-O 3.45Å; Y26-A47 HydrophobicContact CE1-CB 3.8Å; A43-A47 HydrophobicContact CB-CB 3.78Å; E44-A47 WeakPolarHBondContact O-CB 3.42Å; E44-A47 PolarHBondContact O-N 3.5Å; R45-A47 VanDerWaalsContact C-N 3.28Å; A47-N51 HydrophobicContact CB-CB 4.45Å
48T93.7Very high95Very high70 Ų7059.3 Ų59.343%0.42928%0.284SS..  trans-98.1168.4-175.365.90000111.4E46 Q50 N51 F52E46-T48 PolarHBondContact O-N 3.36Å; T48-Q50 PolarHBondContact O-N 2.98Å; T48-Q50 PolarHBondContact OG1-N 3Å; T48-N51 PolarHBondContact N-OD1 2.89Å; T48-N51 PolarHBondContact O-N 3.13Å; T48-N51 VanDerWaalsContact O-N 3.12Å; T48-N51 PolarHBondContact OG1-N 3.27Å; T48-N51 PolarHBondContact OG1-OD1 3.43Å; T48-F52 PolarHBondContact O-N 2.9Å; T48-F52 VanDerWaalsContact O-N 3.1Å
49Y93.6Very high95.1Very high41 Ų4158.4 Ų58.416%0.16128%0.278CS..Hα-helixtrans-53.9-37.3168.8170.4-109.6000112N51 F52 R53 I125 E127 F130Y49-N51 PolarHBondContact O-N 3.35Å; Y49-F52 HydrophobicContact CD2-CD1 4.23Å; Y49-F52 HydrophobicContact CE2-CD1 4.32Å; Y49-F52 WeakPolarHBondContact O-CB 3.19Å; Y49-F52 PolarHBondContact O-N 2.9Å; Y49-R53 WeakPolarHBondContact O-CB 3.4Å; Y49-R53 PolarHBondContact O-N 2.88Å; Y49-I125 WeakPolarHBondContact CE2-O 3.42Å; Y49-I125 PolarHBondContact OH-O 3.06Å; Y49-E127 HydrophobicContact CD1-CG 3.63Å; Y49-E127 HydrophobicContact CD2-CG 3.99Å; Y49-E127 HydrophobicContact CE1-CG 3.82Å; Y49-E127 HydrophobicContact CE2-CG 4.18Å; Y49-E127 HydrophobicContact CG-CG 3.71Å; Y49-F130 HydrophobicContact CE2-CE2 4.32Å
50Q94.5Very high95Very high86 Ų8658.9 Ų58.940%0.40228%0.28SS..Hα-helixtrans-62.7-41.9177.4-179.25932.300111.9T48 F52 R53 E54T48-Q50 PolarHBondContact O-N 2.98Å; T48-Q50 PolarHBondContact OG1-N 3Å; Q50-F52 VanDerWaalsContact C-N 3.34Å; Q50-F52 PolarHBondContact O-N 3.04Å; Q50-R53 WeakPolarHBondContact O-CB 3.46Å; Q50-R53 PolarHBondContact O-N 3.33Å; Q50-E54 PolarHBondContact NE2-OE1 3.31Å; Q50-E54 WeakPolarHBondContact O-CG 3.33Å; Q50-E54 PolarHBondContact O-N 2.91Å
51N96Very high94.9Very high61 Ų6162.4 Ų62.433%0.32629%0.294SS..Hα-helixtrans-64.6-40.4175.8-56.4119.2000111.7Y26 A47 T48 Y49 R53 E54 D55Y26-N51 VanDerWaalsContact OH-C 3.29Å; Y26-N51 PolarHBondContact OH-O 2.68Å; A47-N51 HydrophobicContact CB-CB 4.45Å; T48-N51 PolarHBondContact N-OD1 2.89Å; T48-N51 PolarHBondContact O-N 3.13Å; T48-N51 VanDerWaalsContact O-N 3.12Å; T48-N51 PolarHBondContact OG1-N 3.27Å; T48-N51 PolarHBondContact OG1-OD1 3.43Å; Y49-N51 PolarHBondContact O-N 3.35Å; N51-R53 VanDerWaalsContact C-N 3.34Å; N51-E54 PolarHBondContact O-N 3.44Å; N51-D55 PolarHBondContact O-N 3.06Å
52F96.4Very high94.8Very high0 Ų063.6 Ų63.60%030%0.304CS..Hα-helixtrans-61.5-43.8173.9172-116.8000111.6Y26 L28 T48 Y49 Q50 E54 D55 M56 V68 Y70 I84 I125 F130Y26-F52 HydrophobicContact CD1-CB 4.05Å; Y26-F52 HydrophobicContact CD1-CD2 4.38Å; Y26-F52 HydrophobicContact CD2-CD2 4.03Å; Y26-F52 HydrophobicContact CE1-CB 3.67Å; Y26-F52 HydrophobicContact CE1-CD2 4.48Å; Y26-F52 HydrophobicContact CE2-CD2 4.1Å; Y26-F52 HydrophobicContact CG-CD2 4.17Å; Y26-F52 PolarHBondContact OH-N 3.46Å; L28-F52 HydrophobicContact CD2-CE2 4.38Å; T48-F52 PolarHBondContact O-N 2.9Å; T48-F52 VanDerWaalsContact O-N 3.1Å; Y49-F52 HydrophobicContact CD2-CD1 4.23Å; Y49-F52 HydrophobicContact CE2-CD1 4.32Å; Y49-F52 WeakPolarHBondContact O-CB 3.19Å; Y49-F52 PolarHBondContact O-N 2.9Å; Q50-F52 VanDerWaalsContact C-N 3.34Å; Q50-F52 PolarHBondContact O-N 3.04Å; F52-E54 PolarHBondContact O-N 3.44Å; F52-D55 WeakPolarHBondContact O-CB 3.15Å; F52-D55 PolarHBondContact O-N 3.47Å; F52-M56 HydrophobicContact CD2-CE 4.45Å; F52-M56 HydrophobicContact CD2-CG 4.35Å; F52-M56 HydrophobicContact CE1-CG 4.35Å; F52-M56 HydrophobicContact CE2-CE 3.89Å; F52-M56 HydrophobicContact CE2-CG 3.78Å; F52-M56 HydrophobicContact CE2-SD 3.92Å; F52-M56 HydrophobicContact CZ-CG 3.79Å; F52-M56 HydrophobicContact CZ-SD 4.11Å; F52-M56 WeakPolarHBondContact O-CG 3.47Å; F52-M56 PolarHBondContact O-N 2.85Å; F52-M56 VanDerWaalsContact O-N 3.09Å; F52-V68 HydrophobicContact CD2-CG1 4.39Å; F52-V68 HydrophobicContact CE2-CB 4.32Å; F52-V68 HydrophobicContact CE2-CG1 3.61Å; F52-V68 HydrophobicContact CE2-CG2 3.96Å; F52-V68 HydrophobicContact CZ-CG1 4.18Å; F52-V68 HydrophobicContact CZ-CG2 4.39Å; F52-Y70 HydrophobicContact CD1-CD1 4.25Å; F52-Y70 AromaticContact CD1-CE1 3.94Å; F52-Y70 HydrophobicContact CD1-CE1 3.94Å; F52-Y70 HydrophobicContact CE1-CD1 4.23Å; F52-Y70 HydrophobicContact CE1-CE1 4.28Å; F52-Y70 HydrophobicContact CG-CE1 4.42Å; F52-I84 HydrophobicContact CE1-CD1 4.26Å; F52-I84 HydrophobicContact CZ-CD1 3.79Å; F52-I125 HydrophobicContact CE1-CB 4.08Å; F52-I125 HydrophobicContact CE1-CD1 3.96Å; F52-I125 HydrophobicContact CE1-CG2 4.33Å; F52-I125 HydrophobicContact CZ-CD1 4.37Å; F52-I125 HydrophobicContact CZ-CG2 4.44Å; F52-F130 HydrophobicContact CE1-CE2 4.29Å; F52-F130 HydrophobicContact CE1-CZ 4.05Å
53R95.7Very high94.7Very high82 Ų8264.7 Ų64.731%0.30931%0.309SS..Hα-helixtrans-61.9-43.1177.7-171178.4-178.5-90.80.9111.8Y49 Q50 N51 M56 I57 L122Y49-R53 WeakPolarHBondContact O-CB 3.4Å; Y49-R53 PolarHBondContact O-N 2.88Å; Q50-R53 WeakPolarHBondContact O-CB 3.46Å; Q50-R53 PolarHBondContact O-N 3.33Å; N51-R53 VanDerWaalsContact C-N 3.34Å; R53-M56 PolarHBondContact O-N 2.85Å; R53-M56 VanDerWaalsContact O-N 3.14Å; R53-I57 HydrophobicContact CG-CD1 4.33Å; R53-I57 WeakPolarHBondContact O-CG1 3.18Å; R53-I57 PolarHBondContact O-N 2.84Å; R53-L122 HydrophobicContact CG-CD2 4.12Å
54E96.3Very high94.5Very high94 Ų9466.1 Ų66.144%0.43932%0.316SS..Hα-helixtrans-60.5-43.2174.8-75.8165.6-172.200112Q50 N51 F52 M56 I57 E58Q50-E54 PolarHBondContact NE2-OE1 3.31Å; Q50-E54 WeakPolarHBondContact O-CG 3.33Å; Q50-E54 PolarHBondContact O-N 2.91Å; N51-E54 PolarHBondContact O-N 3.44Å; F52-E54 PolarHBondContact O-N 3.44Å; E54-M56 PolarHBondContact O-N 3.34Å; E54-I57 WeakPolarHBondContact O-CB 3.4Å; E54-I57 PolarHBondContact O-N 3.07Å; E54-I57 VanDerWaalsContact O-N 3.15Å; E54-E58 PolarHBondContact O-N 3.46Å
55D96.2Very high94.4Very high11 Ų1159.4 Ų59.46%0.05928%0.284CS..Hα-helixtrans-62.1-32.1174.6-76.4-36.9000112.4Y26 L28 K41 N51 F52 A59 R66Y26-D55 VanDerWaalsContact CE2-OD2 3.24Å; Y26-D55 WeakPolarHBondContact CE2-OD2 3.36Å; Y26-D55 VanDerWaalsContact CZ-OD2 3.32Å; Y26-D55 PolarHBondContact OH-OD2 2.86Å; L28-D55 HydrophobicContact CD1-CB 3.76Å; K41-D55 IonicContact NZ-OD1 3.6Å; K41-D55 PolarHBondContact NZ-OD1 3.36Å; K41-D55 IonicContact NZ-OD2 3.36Å; K41-D55 PolarHBondContact NZ-OD2 2.89Å; N51-D55 PolarHBondContact O-N 3.06Å; F52-D55 WeakPolarHBondContact O-CB 3.15Å; F52-D55 PolarHBondContact O-N 3.47Å; D55-A59 PolarHBondContact O-N 3.22Å; D55-A59 VanDerWaalsContact O-N 3.15Å; D55-R66 PolarHBondContact O-NH1 3.32Å
56M95.9Very high94.5Very high0 Ų057.6 Ų57.60%028%0.278CS..Hα-helixtrans-77-33175.5-63.2-60.799.300112.1L28 F52 R53 E54 A59 M60 V68 W86 L122 I125L28-M56 HydrophobicContact CD1-CE 4.18Å; L28-M56 HydrophobicContact CD2-CE 3.68Å; F52-M56 HydrophobicContact CD2-CE 4.45Å; F52-M56 HydrophobicContact CD2-CG 4.35Å; F52-M56 HydrophobicContact CE1-CG 4.35Å; F52-M56 HydrophobicContact CE2-CE 3.89Å; F52-M56 HydrophobicContact CE2-CG 3.78Å; F52-M56 HydrophobicContact CE2-SD 3.92Å; F52-M56 HydrophobicContact CZ-CG 3.79Å; F52-M56 HydrophobicContact CZ-SD 4.11Å; F52-M56 WeakPolarHBondContact O-CG 3.47Å; F52-M56 PolarHBondContact O-N 2.85Å; F52-M56 VanDerWaalsContact O-N 3.09Å; R53-M56 PolarHBondContact O-N 2.85Å; R53-M56 VanDerWaalsContact O-N 3.14Å; E54-M56 PolarHBondContact O-N 3.34Å; M56-A59 WeakPolarHBondContact O-CB 3.35Å; M56-A59 PolarHBondContact O-N 3.21Å; M56-M60 WeakPolarHBondContact O-CG 3.38Å; M56-M60 PolarHBondContact O-N 2.83Å; M56-V68 HydrophobicContact CE-CG2 4.13Å; M56-V68 HydrophobicContact SD-CG2 4.16Å; M56-W86 HydrophobicContact CB-CD2 4.3Å; M56-W86 HydrophobicContact CB-CE3 4.45Å; M56-W86 HydrophobicContact CB-CH2 4.07Å; M56-W86 HydrophobicContact CB-CZ2 3.9Å; M56-W86 HydrophobicContact CB-CZ3 4.34Å; M56-W86 HydrophobicContact CG-CD2 4.29Å; M56-W86 HydrophobicContact CG-CE3 4.29Å; M56-W86 HydrophobicContact SD-CB 3.91Å; M56-W86 HydrophobicContact SD-CD2 3.62Å; M56-W86 HydrophobicContact SD-CE3 3.98Å; M56-W86 HydrophobicContact SD-CG 3.56Å; M56-W86 VanDerWaalsContact SD-CG 3.56Å; M56-L122 HydrophobicContact CB-CD2 4.19Å; M56-I125 HydrophobicContact CB-CD1 3.77Å; M56-I125 HydrophobicContact CG-CD1 3.61Å
57I95.2Very high94.6Very high46 Ų4650.8 Ų50.824%0.23625%0.246CC..Hα-helixtrans-61.9-48.8171.1-68.4165.1000110.5R53 E54 A59 M60 E61 L122R53-I57 HydrophobicContact CG-CD1 4.33Å; R53-I57 WeakPolarHBondContact O-CG1 3.18Å; R53-I57 PolarHBondContact O-N 2.84Å; E54-I57 WeakPolarHBondContact O-CB 3.4Å; E54-I57 PolarHBondContact O-N 3.07Å; E54-I57 VanDerWaalsContact O-N 3.15Å; I57-A59 PolarHBondContact O-N 2.77Å; I57-M60 HydrophobicContact CB-CE 4.3Å; I57-M60 HydrophobicContact CG1-CE 3.93Å; I57-M60 WeakPolarHBondContact O-CA 3.16Å; I57-M60 WeakPolarHBondContact O-CB 3.49Å; I57-M60 PolarHBondContact O-N 3.48Å; I57-E61 PolarHBondContact O-N 3.47Å; I57-L122 HydrophobicContact CD1-CD1 4.15Å; I57-L122 HydrophobicContact CG1-CD1 3.81Å; I57-L122 HydrophobicContact CG1-CD2 3.99Å
58E95.1Very high94.7Very high87 Ų8750 Ų5041%0.40724%0.24SC..Hα-helixtrans-56.3-41.9174.8-174.8-157.6-147.300111.1E54 M60 E61 L62 R66E54-E58 PolarHBondContact O-N 3.46Å; E58-M60 VanDerWaalsContact C-N 3.31Å; E58-M60 PolarHBondContact O-N 2.83Å; E58-E61 PolarHBondContact O-N 3.01Å; E58-L62 HydrophobicContact CG-CD1 3.95Å; E58-L62 HydrophobicContact CG-CG 4.44Å; E58-L62 WeakPolarHBondContact O-CB 3.38Å; E58-L62 VanDerWaalsContact O-CG 3.31Å; E58-L62 WeakPolarHBondContact O-CG 3.34Å; E58-L62 PolarHBondContact O-N 3.26Å; E58-R66 IonicContact OE2-CZ 2.93Å; E58-R66 IonicContact OE2-NH1 2.76Å; E58-R66 PolarHBondContact OE2-NH1 3.34Å; E58-R66 IonicContact OE2-NH2 3.49Å; E58-R66 PolarHBondContact OE2-NH2 3.1Å
59A93.5Very high94.9Very high0 Ų046.7 Ų46.70%022%0.219CC..Hα-helixtrans-59.9-39.6175.600000112.8D55 M56 I57 K63 D64 R66D55-A59 PolarHBondContact O-N 3.22Å; D55-A59 VanDerWaalsContact O-N 3.15Å; M56-A59 WeakPolarHBondContact O-CB 3.35Å; M56-A59 PolarHBondContact O-N 3.21Å; I57-A59 PolarHBondContact O-N 2.77Å; A59-K63 PolarHBondContact O-N 3.31Å; A59-K63 VanDerWaalsContact O-N 3.11Å; A59-D64 PolarHBondContact O-N 2.88Å; A59-R66 HydrophobicContact CB-CG 4.19Å; A59-R66 VanDerWaalsContact CB-NE 3.3Å
60M92.7Very high95Very high44 Ų4445.1 Ų45.122%0.21721%0.213CC..Hα-helixtrans-65-43.5175.2-68.1-169.5-71.600111.9M56 I57 E58 L62 K63 W86 P88 N90 L122M56-M60 WeakPolarHBondContact O-CG 3.38Å; M56-M60 PolarHBondContact O-N 2.83Å; I57-M60 HydrophobicContact CB-CE 4.3Å; I57-M60 HydrophobicContact CG1-CE 3.93Å; I57-M60 WeakPolarHBondContact O-CA 3.16Å; I57-M60 WeakPolarHBondContact O-CB 3.49Å; I57-M60 PolarHBondContact O-N 3.48Å; E58-M60 VanDerWaalsContact C-N 3.31Å; E58-M60 PolarHBondContact O-N 2.83Å; M60-L62 VanDerWaalsContact C-N 3.34Å; M60-K63 PolarHBondContact O-N 2.9Å; M60-K63 VanDerWaalsContact O-N 3.08Å; M60-W86 HydrophobicContact CE-CZ2 4.45Å; M60-W86 HydrophobicContact CG-CZ2 3.64Å; M60-W86 HydrophobicContact SD-CH2 4.44Å; M60-W86 HydrophobicContact SD-CZ2 3.86Å; M60-P88 HydrophobicContact CB-CB 4.42Å; M60-P88 HydrophobicContact CG-CB 3.66Å; M60-P88 HydrophobicContact CG-CG 4.47Å; M60-N90 PolarHBondContact O-ND2 2.83Å; M60-L122 HydrophobicContact CE-CD1 3.79Å; M60-L122 HydrophobicContact CE-CD2 3.76Å; M60-L122 HydrophobicContact CE-CG 3.65Å
61E93.8Very high95Very high149 Ų14941 Ų4170%0.69619%0.194SC*.Hα-helixtrans-64-41.9179.5-69.1178.3172.800111.4I57 E58 K63I57-E61 PolarHBondContact O-N 3.47Å; E58-E61 PolarHBondContact O-N 3.01Å; E61-K63 PolarHBondContact O-N 2.78Å
62L93.2Very high94.9Very high110 Ų11038.3 Ų38.358%0.57618%0.179SC*.THydrogen-bonded Turntrans-73.3-6.5174.7-65.3174.8000113.6E58 M60 D64E58-L62 HydrophobicContact CG-CD1 3.95Å; E58-L62 HydrophobicContact CG-CG 4.44Å; E58-L62 WeakPolarHBondContact O-CB 3.38Å; E58-L62 VanDerWaalsContact O-CG 3.31Å; E58-L62 WeakPolarHBondContact O-CG 3.34Å; E58-L62 PolarHBondContact O-N 3.26Å; M60-L62 VanDerWaalsContact C-N 3.34Å; L62-D64 VanDerWaalsContact C-N 3.29Å; L62-D64 PolarHBondContact O-N 2.88Å
63K92.2Very high94.7Very high126 Ų12641.1 Ų41.155%0.54819%0.192SC..THydrogen-bonded Turntrans52.248.1-176.2-55.9178.5-177.3176.80111.5A59 M60 E61 L91A59-K63 PolarHBondContact O-N 3.31Å; A59-K63 VanDerWaalsContact O-N 3.11Å; M60-K63 PolarHBondContact O-N 2.9Å; M60-K63 VanDerWaalsContact O-N 3.08Å; E61-K63 PolarHBondContact O-N 2.78Å; K63-L91 WeakPolarHBondContact O-CD1 3.44Å
64D92.9Very high94.4Very high35 Ų3537.9 Ų37.919%0.18718%0.18CC..  trans-125.8151179.2-141.5-14.6000113.4A59 L62 P88 K95A59-D64 PolarHBondContact O-N 2.88Å; L62-D64 VanDerWaalsContact C-N 3.29Å; L62-D64 PolarHBondContact O-N 2.88Å; D64-P88 WeakPolarHBondContact O-CD 3.34Å; D64-P88 WeakPolarHBondContact O-CG 3.18Å; D64-K95 WeakPolarHBondContact OD1-CD 3.33Å; D64-K95 IonicContact OD1-NZ 2.93Å; D64-K95 PolarHBondContact OD1-NZ 3.24Å; D64-K95 IonicContact OD2-NZ 2.88Å; D64-K95 PolarHBondContact OD2-NZ 2.77Å
65G93.8Very high93.9Very high1 Ų138.7 Ų38.71%0.0119%0.193CC..  trans-84.5162.1171.300000111W86 Y99G65-W86 CarbonylContact C-O 3.49Å; G65-W86 WeakPolarHBondContact CA-O 3.1Å; G65-Y99 VanDerWaalsContact O-CZ 3.25Å; G65-Y99 PolarHBondContact O-OH 3.18Å
66R95.9Very high93.4Very high8 Ų843 Ų433%0.0322%0.216CC..EExtended strand (participates in β ladder)trans-144.9147173.5-61.3-177.4180-174.8-3.4109.4F29 L40 D55 E58 A59 W86F29-R66 CarbonylContact O-C 3.54Å; F29-R66 VanDerWaalsContact O-CA 3.32Å; F29-R66 WeakPolarHBondContact O-CA 3.26Å; L40-R66 HydrophobicContact CD2-CG 4.34Å; L40-R66 VanDerWaalsContact CD2-CZ 3.46Å; L40-R66 VanDerWaalsContact CD2-NE 3.35Å; D55-R66 PolarHBondContact O-NH1 3.32Å; E58-R66 IonicContact OE2-CZ 2.93Å; E58-R66 IonicContact OE2-NH1 2.76Å; E58-R66 PolarHBondContact OE2-NH1 3.34Å; E58-R66 IonicContact OE2-NH2 3.49Å; E58-R66 PolarHBondContact OE2-NH2 3.1Å; A59-R66 HydrophobicContact CB-CG 4.19Å; A59-R66 VanDerWaalsContact CB-NE 3.3Å; R66-W86 HydrophobicContact CB-CB 4.23Å; R66-W86 PolarHBondContact N-O 3Å; R66-W86 WeakPolarHBondContact O-CA 3.41Å; R66-W86 WeakPolarHBondContact O-CB 3.4Å; R66-W86 PolarHBondContact O-N 2.58Å
67Y96.1Very high92.8Very high0 Ų050.3 Ų50.30%025%0.248CC..EExtended strand (participates in β ladder)trans-97.2141.9156.8-59.5-68.3000108.8F29 I31 V37 F83 I84 M85 Y99 S102 K103 V106F29-Y67 PolarHBondContact N-O 3.36Å; F29-Y67 PolarHBondContact O-N 3.48Å; I31-Y67 HydrophobicContact CD1-CE2 3.83Å; I31-Y67 HydrophobicContact CG1-CE2 3.98Å; V37-Y67 HydrophobicContact CG2-CE2 4.28Å; Y67-F83 HydrophobicContact CD1-CE1 4.13Å; Y67-F83 HydrophobicContact CD1-CE2 4.21Å; Y67-F83 AromaticContact CD1-CZ 3.46Å; Y67-F83 HydrophobicContact CD1-CZ 3.46Å; Y67-F83 VanDerWaalsContact CD1-CZ 3.46Å; Y67-F83 HydrophobicContact CE1-CZ 4.05Å; Y67-F83 HydrophobicContact CG-CE2 4.33Å; Y67-F83 AromaticContact CG-CZ 3.99Å; Y67-F83 HydrophobicContact CG-CZ 3.99Å; Y67-I84 CarbonylContact C-O 3.56Å; Y67-I84 WeakPolarHBondContact CA-O 3.3Å; Y67-M85 HydrophobicContact CD1-CB 4.07Å; Y67-M85 HydrophobicContact CD1-CG 3.98Å; Y67-M85 HydrophobicContact CE1-CB 4.13Å; Y67-M85 HydrophobicContact CE1-CG 3.67Å; Y67-M85 HydrophobicContact CE1-SD 4.07Å; Y67-Y99 HydrophobicContact CD1-CD1 4.44Å; Y67-Y99 HydrophobicContact CD2-CD1 4.13Å; Y67-Y99 HydrophobicContact CD2-CE1 4.08Å; Y67-Y99 HydrophobicContact CE1-CD1 4.01Å; Y67-Y99 AromaticContact CE2-CD1 3.67Å; Y67-Y99 HydrophobicContact CE2-CD1 3.67Å; Y67-Y99 AromaticContact CE2-CE1 3.94Å; Y67-Y99 HydrophobicContact CE2-CE1 3.94Å; Y67-Y99 AromaticContact CZ-CD1 3.6Å; Y67-Y99 WeakPolarHBondContact OH-CA 3.34Å; Y67-Y99 PolarHBondContact OH-O 2.95Å; Y67-S102 VanDerWaalsContact OH-C 3.29Å; Y67-S102 WeakPolarHBondContact OH-CB 2.97Å; Y67-K103 HydrophobicContact CE1-CB 4.41Å; Y67-K103 PolarHBondContact OH-N 3.03Å; Y67-K103 VanDerWaalsContact OH-N 3.1Å; Y67-V106 HydrophobicContact CD2-CB 4.42Å; Y67-V106 HydrophobicContact CD2-CG1 4.07Å; Y67-V106 HydrophobicContact CD2-CG2 4.05Å; Y67-V106 HydrophobicContact CE2-CB 4.28Å; Y67-V106 HydrophobicContact CE2-CG1 4.43Å; Y67-V106 HydrophobicContact CE2-CG2 3.65Å; Y67-V106 HydrophobicContact CG-CG1 4.26Å
68V96.8Very high92.5Very high0 Ų050.5 Ų50.50%025%0.253CS..EExtended strand (participates in β ladder)trans-125.5132.9-179.5-173.30000108.2V27 L28 F52 M56 F83 I84V27-V68 WeakPolarHBondContact O-CA 3.4Å; L28-V68 HydrophobicContact CD2-CB 4.36Å; L28-V68 HydrophobicContact CD2-CG1 3.96Å; L28-V68 HydrophobicContact CD2-CG2 3.79Å; F52-V68 HydrophobicContact CD2-CG1 4.39Å; F52-V68 HydrophobicContact CE2-CB 4.32Å; F52-V68 HydrophobicContact CE2-CG1 3.61Å; F52-V68 HydrophobicContact CE2-CG2 3.96Å; F52-V68 HydrophobicContact CZ-CG1 4.18Å; F52-V68 HydrophobicContact CZ-CG2 4.39Å; M56-V68 HydrophobicContact CE-CG2 4.13Å; M56-V68 HydrophobicContact SD-CG2 4.16Å; V68-F83 CarbonylContact O-C 3.51Å; V68-F83 WeakPolarHBondContact O-CA 3.31Å; V68-I84 HydrophobicContact CB-CB 4.03Å; V68-I84 HydrophobicContact CB-CD1 4.25Å; V68-I84 HydrophobicContact CB-CG1 4.44Å; V68-I84 HydrophobicContact CG1-CD1 4.27Å; V68-I84 HydrophobicContact CG2-CB 4.46Å; V68-I84 PolarHBondContact N-O 3.25Å; V68-I84 PolarHBondContact O-N 3.12Å
69V96.3Very high92.3Very high0 Ų048.6 Ų48.60%025%0.247CC..EExtended strand (participates in β ladder)trans-105.8120.1156.9179.80000107.4F15 L18 Y26 V27 F29 F82 F83 F110 I113F15-V69 HydrophobicContact CD2-CG1 3.88Å; F15-V69 HydrophobicContact CD2-CG2 4.23Å; F15-V69 HydrophobicContact CE2-CG1 3.94Å; L18-V69 HydrophobicContact CD1-CG1 4.3Å; L18-V69 WeakPolarHBondContact CD1-O 3.42Å; L18-V69 HydrophobicContact CD2-CG1 3.86Å; Y26-V69 CarbonylContact C-O 3.41Å; Y26-V69 WeakPolarHBondContact CA-O 3.45Å; Y26-V69 WeakPolarHBondContact CB-O 3.31Å; V27-V69 PolarHBondContact N-O 3.47Å; V27-V69 PolarHBondContact O-N 2.95Å; F29-V69 HydrophobicContact CE2-CB 4.33Å; F29-V69 HydrophobicContact CE2-CG2 3.89Å; V69-F82 CarbonylContact C-O 3.56Å; V69-F82 WeakPolarHBondContact CA-O 3.13Å; V69-F83 HydrophobicContact CG2-CD2 4.22Å; V69-F110 HydrophobicContact CG2-CD2 3.65Å; V69-F110 HydrophobicContact CG2-CE2 3.83Å; V69-F110 HydrophobicContact CG2-CG 4.16Å; V69-F110 HydrophobicContact CG2-CZ 4.49Å; V69-I113 HydrophobicContact CG1-CD1 3.91Å; V69-I113 HydrophobicContact CG2-CD1 3.97Å
70Y96.2Very high92.2Very high7 Ų750 Ų503%0.02726%0.255CS..EExtended strand (participates in β ladder)trans-123.7123.3-175.6-174.3-164000110.4R25 Y26 F52 Y72 L81 F82 I84 F130R25-Y70 HydrophobicContact CG-CD2 4.27Å; R25-Y70 HydrophobicContact CG-CE2 3.7Å; R25-Y70 WeakPolarHBondContact O-CD2 3.15Å; Y26-Y70 HydrophobicContact CD1-CD2 4.36Å; Y26-Y70 HydrophobicContact CD1-CE2 4.36Å; F52-Y70 HydrophobicContact CD1-CD1 4.25Å; F52-Y70 AromaticContact CD1-CE1 3.94Å; F52-Y70 HydrophobicContact CD1-CE1 3.94Å; F52-Y70 HydrophobicContact CE1-CD1 4.23Å; F52-Y70 HydrophobicContact CE1-CE1 4.28Å; F52-Y70 HydrophobicContact CG-CE1 4.42Å; Y70-Y72 AromaticContact CE1-CD2 3.69Å; Y70-Y72 HydrophobicContact CE1-CD2 3.69Å; Y70-Y72 HydrophobicContact CE1-CG 4.42Å; Y70-Y72 AromaticContact CZ-CD2 3.79Å; Y70-Y72 PolarHBondContact O-N 3.38Å; Y70-L81 WeakPolarHBondContact O-CA 3.42Å; Y70-F82 PolarHBondContact N-O 2.91Å; Y70-F82 PolarHBondContact O-N 3.4Å; Y70-I84 HydrophobicContact CD1-CD1 4.34Å; Y70-F130 HydrophobicContact CD1-CE1 4.09Å; Y70-F130 HydrophobicContact CD1-CE2 4.18Å; Y70-F130 AromaticContact CD1-CZ 3.74Å; Y70-F130 HydrophobicContact CD1-CZ 3.74Å; Y70-F130 AromaticContact CE1-CE2 3.92Å; Y70-F130 HydrophobicContact CE1-CE2 3.92Å; Y70-F130 AromaticContact CE1-CZ 3.97Å; Y70-F130 HydrophobicContact CE1-CZ 3.97Å
71D94.9Very high92.2Very high1 Ų148.9 Ų48.91%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-86.980.6167.3-168.346.4000109.5L18 K22 R25 R45 E73 T79 L81L18-D71 HydrophobicContact CD2-CB 4.14Å; K22-D71 WeakPolarHBondContact CD-OD2 3.36Å; K22-D71 IonicContact NZ-OD1 2.86Å; K22-D71 PolarHBondContact NZ-OD1 3.44Å; K22-D71 IonicContact NZ-OD2 2.76Å; K22-D71 PolarHBondContact NZ-OD2 3.22Å; R25-D71 VanDerWaalsContact CD-O 3.22Å; R25-D71 WeakPolarHBondContact CD-O 3.35Å; R25-D71 PolarHBondContact O-N 3.35Å; R45-D71 IonicContact CZ-OD2 3.72Å; R45-D71 VanDerWaalsContact CZ-OD2 3.23Å; R45-D71 IonicContact NH1-OD2 2.76Å; R45-D71 PolarHBondContact NH1-OD2 2.91Å; R45-D71 IonicContact NH2-OD2 3.7Å; R45-D71 PolarHBondContact NH2-OD2 2.93Å; D71-E73 PolarHBondContact O-N 3.27Å; D71-T79 WeakPolarHBondContact OD1-CB 3.39Å; D71-L81 HydrophobicContact CB-CD2 3.85Å
72Y93.9Very high92.3Very high3 Ų341.8 Ų41.81%0.01222%0.217CC..EExtended strand (participates in β ladder)trans-68.9127.7-178.9-178.4-107.5000109.8Y70 Y74 T79 D80 F82 E127 F130Y70-Y72 AromaticContact CE1-CD2 3.69Å; Y70-Y72 HydrophobicContact CE1-CD2 3.69Å; Y70-Y72 HydrophobicContact CE1-CG 4.42Å; Y70-Y72 AromaticContact CZ-CD2 3.79Å; Y70-Y72 PolarHBondContact O-N 3.38Å; Y72-Y74 AromaticContact CD1-CD1 3.96Å; Y72-Y74 HydrophobicContact CD1-CD1 3.96Å; Y72-Y74 HydrophobicContact CD1-CD2 4.43Å; Y72-Y74 AromaticContact CD1-CE1 3.7Å; Y72-Y74 HydrophobicContact CD1-CE1 3.7Å; Y72-Y74 HydrophobicContact CD1-CE2 4.22Å; Y72-Y74 HydrophobicContact CD1-CG 4.28Å; Y72-Y74 AromaticContact CD1-CZ 3.82Å; Y72-Y74 AromaticContact CE1-CD1 3.6Å; Y72-Y74 HydrophobicContact CE1-CD1 3.6Å; Y72-Y74 AromaticContact CE1-CE1 3.62Å; Y72-Y74 HydrophobicContact CE1-CE1 3.62Å; Y72-Y74 HydrophobicContact CE1-CG 4.17Å; Y72-T79 WeakPolarHBondContact O-CA 3.3Å; Y72-D80 PolarHBondContact N-O 3.08Å; Y72-D80 PolarHBondContact O-N 3.34Å; Y72-F82 HydrophobicContact CD1-CE2 4.42Å; Y72-E127 HydrophobicContact CE2-CG 4.38Å; Y72-E127 PolarHBondContact OH-OE1 2.93Å; Y72-F130 HydrophobicContact CD1-CB 3.82Å; Y72-F130 HydrophobicContact CD1-CG 4.47Å; Y72-F130 HydrophobicContact CD2-CB 4.22Å; Y72-F130 HydrophobicContact CD2-CD2 4.08Å; Y72-F130 HydrophobicContact CD2-CG 4.15Å; Y72-F130 HydrophobicContact CE1-CB 3.76Å; Y72-F130 HydrophobicContact CE2-CB 4.19Å; Y72-F130 HydrophobicContact CE2-CD2 4.11Å; Y72-F130 HydrophobicContact CE2-CG 4.37Å; Y72-F130 HydrophobicContact CG-CB 4.06Å; Y72-F130 HydrophobicContact CG-CG 4.21Å
73E91.5Very high92.4Very high59 Ų5936.8 Ų36.828%0.27619%0.19SC..EExtended strand (participates in β ladder)trans-101.1116.5176.5-175.1176123.500109.6R25 D71 K77 C78 T79R25-E73 IonicContact CZ-OE2 3.85Å; R25-E73 IonicContact NH1-OE2 2.58Å; R25-E73 PolarHBondContact NH1-OE2 3.07Å; R25-E73 IonicContact NH2-OE2 2.88Å; R25-E73 PolarHBondContact NH2-OE2 2.98Å; D71-E73 PolarHBondContact O-N 3.27Å; E73-K77 HydrophobicContact CG-CD 4.49Å; E73-K77 VanDerWaalsContact OE1-CD 3.31Å; E73-K77 WeakPolarHBondContact OE1-CD 3.46Å; E73-K77 IonicContact OE1-NZ 3.23Å; E73-K77 PolarHBondContact OE1-NZ 2.93Å; E73-C78 WeakPolarHBondContact CA-O 3.42Å; E73-T79 HydrophobicContact CB-CG2 3.95Å; E73-T79 HydrophobicContact CG-CG2 4.06Å
74Y89.3Confident92.6Very high15 Ų1530.8 Ų30.86%0.05916%0.164CC..PPolyproline II helixtrans-70.6159.6177-66-79.4000111Y72 N76 K77 C78 D80 F82 N131 G134Y72-Y74 AromaticContact CD1-CD1 3.96Å; Y72-Y74 HydrophobicContact CD1-CD1 3.96Å; Y72-Y74 HydrophobicContact CD1-CD2 4.43Å; Y72-Y74 AromaticContact CD1-CE1 3.7Å; Y72-Y74 HydrophobicContact CD1-CE1 3.7Å; Y72-Y74 HydrophobicContact CD1-CE2 4.22Å; Y72-Y74 HydrophobicContact CD1-CG 4.28Å; Y72-Y74 AromaticContact CD1-CZ 3.82Å; Y72-Y74 AromaticContact CE1-CD1 3.6Å; Y72-Y74 HydrophobicContact CE1-CD1 3.6Å; Y72-Y74 AromaticContact CE1-CE1 3.62Å; Y72-Y74 HydrophobicContact CE1-CE1 3.62Å; Y72-Y74 HydrophobicContact CE1-CG 4.17Å; Y74-N76 WeakPolarHBondContact CB-OD1 3.47Å; Y74-N76 PolarHBondContact O-N 2.73Å; Y74-K77 WeakPolarHBondContact O-CA 3.38Å; Y74-K77 PolarHBondContact O-N 2.8Å; Y74-C78 HydrophobicContact CD2-CB 4.1Å; Y74-C78 WeakPolarHBondContact CD2-O 3.24Å; Y74-C78 PolarHBondContact N-O 2.95Å; Y74-D80 HydrophobicContact CE2-CB 3.7Å; Y74-D80 VanDerWaalsContact CE2-OD2 3.25Å; Y74-D80 WeakPolarHBondContact CE2-OD2 3.49Å; Y74-F82 WeakPolarHBondContact OH-CE2 3.4Å; Y74-F82 WeakPolarHBondContact OH-CZ 3.4Å; Y74-N131 WeakPolarHBondContact CD1-OD1 3.22Å; Y74-G134 VanDerWaalsContact OH-CA 3.27Å; Y74-G134 WeakPolarHBondContact OH-CA 3.43Å
75P86.1Confident92.7Very high110 Ų11029.3 Ų29.371%0.71416%0.156SC*.THydrogen-bonded Turntrans-54.5-28.1172.8-28.235.6000114.3K77P75-K77 PolarHBondContact O-N 2.84Å
76N87Confident92.8Very high102 Ų10229.2 Ų29.255%0.54516%0.156SC..THydrogen-bonded Turntrans-82.812.7175.671.1-3.5000114.1Y74 C78Y74-N76 WeakPolarHBondContact CB-OD1 3.47Å; Y74-N76 PolarHBondContact O-N 2.73Å; N76-C78 PolarHBondContact O-N 2.85Å; N76-C78 VanDerWaalsContact O-N 3.08Å; N76-C78 WeakPolarHBondContact OD1-CB 3.19Å; N76-C78 PolarHBondContact OD1-N 2.97Å; N76-C78 VanDerWaalsContact OD1-N 3.14Å
77K83.1Confident92.8Very high154 Ų15428.9 Ų28.967%0.6715%0.154SC*.SBendtrans63.93.9-179-59.3-68.1175.3-177.50116E73 Y74 P75E73-K77 HydrophobicContact CG-CD 4.49Å; E73-K77 VanDerWaalsContact OE1-CD 3.31Å; E73-K77 WeakPolarHBondContact OE1-CD 3.46Å; E73-K77 IonicContact OE1-NZ 3.23Å; E73-K77 PolarHBondContact OE1-NZ 2.93Å; Y74-K77 WeakPolarHBondContact O-CA 3.38Å; Y74-K77 PolarHBondContact O-N 2.8Å; P75-K77 PolarHBondContact O-N 2.84Å
78C88.3Confident92.7Very high49 Ų4929 Ų2933%0.33116%0.155SC..  trans-67.1154163.9-60.70000109.5E73 Y74 N76E73-C78 WeakPolarHBondContact CA-O 3.42Å; Y74-C78 HydrophobicContact CD2-CB 4.1Å; Y74-C78 WeakPolarHBondContact CD2-O 3.24Å; Y74-C78 PolarHBondContact N-O 2.95Å; N76-C78 PolarHBondContact O-N 2.85Å; N76-C78 VanDerWaalsContact O-N 3.08Å; N76-C78 WeakPolarHBondContact OD1-CB 3.19Å; N76-C78 PolarHBondContact OD1-N 2.97Å; N76-C78 VanDerWaalsContact OD1-N 3.14Å
79T89.9Confident92.4Very high47 Ų4736.7 Ų36.729%0.28819%0.188SC..EExtended strand (participates in β ladder)trans-123143.9171.755.90000109.7K22 D71 Y72 E73K22-T79 PolarHBondContact NZ-OG1 3.37Å; D71-T79 WeakPolarHBondContact OD1-CB 3.39Å; Y72-T79 WeakPolarHBondContact O-CA 3.3Å; E73-T79 HydrophobicContact CB-CG2 3.95Å; E73-T79 HydrophobicContact CG-CG2 4.06Å
80D91.9Very high92.1Very high31 Ų3140.4 Ų40.417%0.16621%0.209CC..EExtended strand (participates in β ladder)trans-131.1146.6167.7-83.6-55.7000110.1Y72 Y74 F82 H115 R138Y72-D80 PolarHBondContact N-O 3.08Å; Y72-D80 PolarHBondContact O-N 3.34Å; Y74-D80 HydrophobicContact CE2-CB 3.7Å; Y74-D80 VanDerWaalsContact CE2-OD2 3.25Å; Y74-D80 WeakPolarHBondContact CE2-OD2 3.49Å; D80-F82 HydrophobicContact CB-CD2 4.49Å; D80-F82 HydrophobicContact CB-CE2 3.88Å; D80-F82 WeakPolarHBondContact O-CD2 3.26Å; D80-H115 IonicContact OD1-NE2 3.87Å; D80-H115 IonicContact OD2-NE2 3.64Å; D80-R138 IonicContact OD2-CZ 3.46Å; D80-R138 IonicContact OD2-NE 3.31Å; D80-R138 PolarHBondContact OD2-NE 3.28Å; D80-R138 IonicContact OD2-NH2 2.77Å; D80-R138 PolarHBondContact OD2-NH2 3.1Å
81L93.2Very high91.8Very high20 Ų2040.9 Ų40.911%0.10521%0.211CC..EExtended strand (participates in β ladder)trans-86.8128.8176.3-68.5174.5000110.5F15 L18 K19 Y70 D71 I113 H115F15-L81 HydrophobicContact CE2-CD1 4.47Å; L18-L81 HydrophobicContact CD2-CD2 3.41Å; L18-L81 VanDerWaalsContact CD2-CD2 3.41Å; K19-L81 HydrophobicContact CB-CD1 4.12Å; K19-L81 HydrophobicContact CD-CD1 3.85Å; K19-L81 HydrophobicContact CG-CD1 3.79Å; Y70-L81 WeakPolarHBondContact O-CA 3.42Å; D71-L81 HydrophobicContact CB-CD2 3.85Å; L81-I113 HydrophobicContact CB-CG1 4.17Å; L81-I113 HydrophobicContact CB-CG2 4.43Å; L81-I113 WeakPolarHBondContact O-CG2 3.16Å; L81-H115 PolarHBondContact O-CD2 2.55Å
82F95Very high91.6Very high0 Ų043.9 Ų43.90%023%0.232CC..EExtended strand (participates in β ladder)trans-114.5136.8173.8-72.3-98.9000110.1V69 Y70 Y72 Y74 D80 I84 H115 L117 F130 V133V69-F82 CarbonylContact C-O 3.56Å; V69-F82 WeakPolarHBondContact CA-O 3.13Å; Y70-F82 PolarHBondContact N-O 2.91Å; Y70-F82 PolarHBondContact O-N 3.4Å; Y72-F82 HydrophobicContact CD1-CE2 4.42Å; Y74-F82 WeakPolarHBondContact OH-CE2 3.4Å; Y74-F82 WeakPolarHBondContact OH-CZ 3.4Å; D80-F82 HydrophobicContact CB-CD2 4.49Å; D80-F82 HydrophobicContact CB-CE2 3.88Å; D80-F82 WeakPolarHBondContact O-CD2 3.26Å; F82-I84 HydrophobicContact CB-CG1 4.22Å; F82-H115 WeakPolarHBondContact CA-O 3.46Å; F82-H115 HydrophobicContact CD1-CB 3.34Å; F82-H115 HydrophobicContact CD2-CB 4.46Å; F82-H115 HydrophobicContact CE1-CB 3.36Å; F82-H115 AromaticContact CE1-CG 3.77Å; F82-H115 HydrophobicContact CE2-CB 4.47Å; F82-H115 AromaticContact CE2-CD2 3.94Å; F82-H115 HydrophobicContact CG-CB 3.93Å; F82-H115 HydrophobicContact CZ-CB 3.95Å; F82-H115 AromaticContact CZ-CD2 3.81Å; F82-H115 AromaticContact CZ-CG 3.88Å; F82-L117 HydrophobicContact CD1-CD1 3.63Å; F82-L117 HydrophobicContact CD1-CG 4.25Å; F82-L117 HydrophobicContact CE1-CD1 4.01Å; F82-F130 HydrophobicContact CB-CE1 4.32Å; F82-F130 AromaticContact CD1-CD1 3.75Å; F82-F130 HydrophobicContact CD1-CD1 3.75Å; F82-F130 HydrophobicContact CD1-CE1 4.09Å; F82-F130 HydrophobicContact CD2-CD1 4.18Å; F82-F130 AromaticContact CE1-CD1 3.85Å; F82-F130 HydrophobicContact CE1-CD1 3.85Å; F82-F130 HydrophobicContact CE2-CD1 4.29Å; F82-F130 AromaticContact CG-CD1 3.92Å; F82-F130 HydrophobicContact CG-CD1 3.92Å; F82-F130 HydrophobicContact CG-CE1 4.09Å; F82-F130 HydrophobicContact CZ-CB 4.46Å; F82-F130 HydrophobicContact CZ-CD1 4.13Å; F82-V133 HydrophobicContact CE1-CB 4.09Å; F82-V133 HydrophobicContact CE1-CG1 3.82Å
83F95.5Very high91.5Very high4 Ų449 Ų492%0.01826%0.264CS..EExtended strand (participates in β ladder)trans-104.6119.9162.4176.3-93000108.3Y67 V68 V69 K103 V106 F110 I113 H115 F116 L117Y67-F83 HydrophobicContact CD1-CE1 4.13Å; Y67-F83 HydrophobicContact CD1-CE2 4.21Å; Y67-F83 AromaticContact CD1-CZ 3.46Å; Y67-F83 HydrophobicContact CD1-CZ 3.46Å; Y67-F83 VanDerWaalsContact CD1-CZ 3.46Å; Y67-F83 HydrophobicContact CE1-CZ 4.05Å; Y67-F83 HydrophobicContact CG-CE2 4.33Å; Y67-F83 AromaticContact CG-CZ 3.99Å; Y67-F83 HydrophobicContact CG-CZ 3.99Å; V68-F83 CarbonylContact O-C 3.51Å; V68-F83 WeakPolarHBondContact O-CA 3.31Å; V69-F83 HydrophobicContact CG2-CD2 4.22Å; F83-K103 HydrophobicContact CE1-CG 4.22Å; F83-V106 HydrophobicContact CE2-CG1 3.79Å; F83-V106 HydrophobicContact CZ-CB 4.39Å; F83-V106 HydrophobicContact CZ-CG1 4.03Å; F83-F110 AromaticContact CD2-CD2 3.83Å; F83-F110 HydrophobicContact CD2-CD2 3.83Å; F83-F110 HydrophobicContact CD2-CE2 4.31Å; F83-F110 AromaticContact CE2-CD2 3.82Å; F83-F110 HydrophobicContact CE2-CD2 3.82Å; F83-F110 AromaticContact CE2-CE2 3.96Å; F83-F110 HydrophobicContact CE2-CE2 3.96Å; F83-I113 HydrophobicContact CB-CD1 3.87Å; F83-I113 HydrophobicContact CB-CG2 3.87Å; F83-H115 PolarHBondContact N-O 3.13Å; F83-F116 HydrophobicContact CB-CD1 3.69Å; F83-F116 HydrophobicContact CB-CE1 3.9Å; F83-F116 AromaticContact CD1-CD1 3.86Å; F83-F116 HydrophobicContact CD1-CD1 3.86Å; F83-F116 HydrophobicContact CD1-CE1 4.47Å; F83-F116 HydrophobicContact CG-CD1 4.11Å; F83-F116 HydrophobicContact CG-CE1 4.38Å; F83-F116 CarbonylContact O-C 3.56Å; F83-F116 WeakPolarHBondContact O-CA 3.17Å; F83-L117 PolarHBondContact O-N 2.87Å
84I96.3Very high91.3Very high0 Ų054.1 Ų54.10%029%0.285CS..EExtended strand (participates in β ladder)trans-117.5126.7-176.7-43.9163.4000108F52 Y67 V68 Y70 F82 L117 A119 I125 F130F52-I84 HydrophobicContact CE1-CD1 4.26Å; F52-I84 HydrophobicContact CZ-CD1 3.79Å; Y67-I84 CarbonylContact C-O 3.56Å; Y67-I84 WeakPolarHBondContact CA-O 3.3Å; V68-I84 HydrophobicContact CB-CB 4.03Å; V68-I84 HydrophobicContact CB-CD1 4.25Å; V68-I84 HydrophobicContact CB-CG1 4.44Å; V68-I84 HydrophobicContact CG1-CD1 4.27Å; V68-I84 HydrophobicContact CG2-CB 4.46Å; V68-I84 PolarHBondContact N-O 3.25Å; V68-I84 PolarHBondContact O-N 3.12Å; Y70-I84 HydrophobicContact CD1-CD1 4.34Å; F82-I84 HydrophobicContact CB-CG1 4.22Å; I84-L117 CarbonylContact C-O 3.59Å; I84-L117 WeakPolarHBondContact CA-O 3.38Å; I84-L117 HydrophobicContact CG1-CB 4.35Å; I84-L117 HydrophobicContact CG2-CB 4.17Å; I84-A119 HydrophobicContact CG2-CB 3.85Å; I84-I125 HydrophobicContact CG2-CG2 4.18Å; I84-F130 HydrophobicContact CD1-CE1 3.6Å; I84-F130 HydrophobicContact CD1-CZ 3.54Å; I84-F130 HydrophobicContact CG1-CE1 4.26Å
85M95.9Very high91.4Very high4 Ų456.7 Ų56.72%0.0230%0.297CS..EExtended strand (participates in β ladder)trans-94.3105.8165.5-178-179.577.900108Y67 T87 K103 L117 E118 A119Y67-M85 HydrophobicContact CD1-CB 4.07Å; Y67-M85 HydrophobicContact CD1-CG 3.98Å; Y67-M85 HydrophobicContact CE1-CB 4.13Å; Y67-M85 HydrophobicContact CE1-CG 3.67Å; Y67-M85 HydrophobicContact CE1-SD 4.07Å; M85-T87 HydrophobicContact CE-CG2 4.47Å; M85-T87 HydrophobicContact CG-CG2 4.15Å; M85-K103 HydrophobicContact CE-CD 4.36Å; M85-K103 HydrophobicContact SD-CB 4.1Å; M85-K103 HydrophobicContact SD-CD 3.86Å; M85-K103 HydrophobicContact SD-CG 4.19Å; M85-L117 PolarHBondContact N-O 2.92Å; M85-E118 HydrophobicContact CE-CB 4.36Å; M85-E118 HydrophobicContact CE-CG 3.97Å; M85-E118 WeakPolarHBondContact CE-OE2 3.35Å; M85-A119 PolarHBondContact O-N 3.4Å
86W96.8Very high91.6Very high0 Ų054.5 Ų54.50%028%0.279CS..EExtended strand (participates in β ladder)trans-88.2112174.8-177.4-101.5000109.8M56 M60 G65 R66 P88 A119 D121 L122 I125M56-W86 HydrophobicContact CB-CD2 4.3Å; M56-W86 HydrophobicContact CB-CE3 4.45Å; M56-W86 HydrophobicContact CB-CH2 4.07Å; M56-W86 HydrophobicContact CB-CZ2 3.9Å; M56-W86 HydrophobicContact CB-CZ3 4.34Å; M56-W86 HydrophobicContact CG-CD2 4.29Å; M56-W86 HydrophobicContact CG-CE3 4.29Å; M56-W86 HydrophobicContact SD-CB 3.91Å; M56-W86 HydrophobicContact SD-CD2 3.62Å; M56-W86 HydrophobicContact SD-CE3 3.98Å; M56-W86 HydrophobicContact SD-CG 3.56Å; M56-W86 VanDerWaalsContact SD-CG 3.56Å; M60-W86 HydrophobicContact CE-CZ2 4.45Å; M60-W86 HydrophobicContact CG-CZ2 3.64Å; M60-W86 HydrophobicContact SD-CH2 4.44Å; M60-W86 HydrophobicContact SD-CZ2 3.86Å; G65-W86 CarbonylContact C-O 3.49Å; G65-W86 WeakPolarHBondContact CA-O 3.1Å; R66-W86 HydrophobicContact CB-CB 4.23Å; R66-W86 PolarHBondContact N-O 3Å; R66-W86 WeakPolarHBondContact O-CA 3.41Å; R66-W86 WeakPolarHBondContact O-CB 3.4Å; R66-W86 PolarHBondContact O-N 2.58Å; W86-P88 HydrophobicContact CZ2-CB 4.4Å; W86-A119 WeakPolarHBondContact CA-O 3.35Å; W86-A119 HydrophobicContact CE3-CB 3.55Å; W86-A119 HydrophobicContact CZ3-CB 3.83Å; W86-D121 VanDerWaalsContact CH2-O 3.24Å; W86-D121 WeakPolarHBondContact CH2-O 3.26Å; W86-D121 WeakPolarHBondContact CZ3-O 3.39Å; W86-L122 HydrophobicContact CH2-CD2 3.92Å; W86-L122 HydrophobicContact CH2-CG 4.5Å; W86-L122 HydrophobicContact CZ2-CD2 4.46Å; W86-I125 HydrophobicContact CE3-CD1 4.35Å; W86-I125 HydrophobicContact CE3-CG2 4.02Å; W86-I125 HydrophobicContact CH2-CD1 4.09Å; W86-I125 HydrophobicContact CZ3-CD1 3.66Å; W86-I125 HydrophobicContact CZ3-CG1 3.94Å; W86-I125 HydrophobicContact CZ3-CG2 3.84Å
87T95.2Very high91.8Very high1 Ų155.6 Ų55.61%0.00628%0.283CS..  trans-131.292.7172.6490000108.9M85 L91 Y99 A119 H120M85-T87 HydrophobicContact CE-CG2 4.47Å; M85-T87 HydrophobicContact CG-CG2 4.15Å; T87-L91 HydrophobicContact CG2-CD2 3.88Å; T87-Y99 HydrophobicContact CG2-CG 4.12Å; T87-A119 PolarHBondContact N-O 3.03Å; T87-H120 WeakPolarHBondContact O-CA 3.34Å; T87-H120 PolarHBondContact O-ND1 3Å; T87-H120 PolarHBondContact OG1-CE1 2.58Å; T87-H120 PolarHBondContact OG1-ND1 3.18Å
88P94.2Very high92.2Very high3 Ų350.8 Ų50.82%0.01927%0.266CS..  trans-64.6149.4-171.129.3-35.7000111M60 D64 W86 N90 L91 H120M60-P88 HydrophobicContact CB-CB 4.42Å; M60-P88 HydrophobicContact CG-CB 3.66Å; M60-P88 HydrophobicContact CG-CG 4.47Å; D64-P88 WeakPolarHBondContact O-CD 3.34Å; D64-P88 WeakPolarHBondContact O-CG 3.18Å; W86-P88 HydrophobicContact CZ2-CB 4.4Å; P88-N90 WeakPolarHBondContact CB-OD1 3.44Å; P88-N90 PolarHBondContact O-N 3.16Å; P88-L91 HydrophobicContact CG-CB 4.15Å; P88-L91 WeakPolarHBondContact O-CB 3.29Å; P88-L91 PolarHBondContact O-N 3.08Å; P88-H120 WeakPolarHBondContact CA-O 3.31Å
89K90.1Very high92.4Very high160 Ų16048.6 Ų48.670%0.69625%0.251SS*.THydrogen-bonded Turntrans-54.5-26.6-176.2-74.4170.3175.2161.60114.2H120 D121K89-H120 HydrophobicContact CG-CB 4.05Å; K89-H120 PolarHBondContact N-O 3.13Å; K89-H120 VanDerWaalsContact N-O 3.14Å; K89-D121 IonicContact NZ-OD2 2.78Å; K89-D121 PolarHBondContact NZ-OD2 3.26Å
90N89.5Confident92.5Very high79 Ų7948.5 Ų48.542%0.42226%0.255SS..THydrogen-bonded Turntrans-88.33.3178.368.9-15.5000114.1M60 P88M60-N90 PolarHBondContact O-ND2 2.83Å; P88-N90 WeakPolarHBondContact CB-OD1 3.44Å; P88-N90 PolarHBondContact O-N 3.16Å
91L91.3Very high92.4Very high17 Ų1749.3 Ų49.39%0.08927%0.265CS..SBendtrans-66.3140.8177.5-171.962.8000110.8K63 T87 P88 K95 N96 Y99K63-L91 WeakPolarHBondContact O-CD1 3.44Å; T87-L91 HydrophobicContact CG2-CD2 3.88Å; P88-L91 HydrophobicContact CG-CB 4.15Å; P88-L91 WeakPolarHBondContact O-CB 3.29Å; P88-L91 PolarHBondContact O-N 3.08Å; L91-K95 HydrophobicContact CD1-CB 3.67Å; L91-K95 HydrophobicContact CD1-CD 3.78Å; L91-K95 HydrophobicContact CD1-CG 4.36Å; L91-K95 HydrophobicContact CD2-CB 4.07Å; L91-K95 HydrophobicContact CG-CB 3.81Å; L91-N96 HydrophobicContact CD2-CB 3.99Å; L91-N96 HydrophobicContact CG-CB 4.43Å; L91-Y99 HydrophobicContact CD2-CD2 4.34Å
92S90.4Very high92.2Very high63 Ų6348.3 Ų48.344%0.44126%0.26SS..  trans-60.9143175.169.90000111.6K94 K95 N96S92-K94 PolarHBondContact O-N 3.41Å; S92-K94 VanDerWaalsContact O-N 3.14Å; S92-K95 PolarHBondContact O-N 2.79Å; S92-K95 PolarHBondContact OG-N 3.24Å; S92-N96 PolarHBondContact O-N 2.63Å
93T90.5Very high92Very high110 Ų11050.9 Ų50.968%0.67527%0.272SS*.Hα-helixtrans-52-40.6179.2-49.50000112.1N96 M97T93-N96 PolarHBondContact O-N 3.5Å; T93-M97 HydrophobicContact CG2-SD 4.33Å; T93-M97 WeakPolarHBondContact O-CB 3.37Å; T93-M97 VanDerWaalsContact O-CG 3.3Å; T93-M97 WeakPolarHBondContact O-CG 3.46Å; T93-M97 PolarHBondContact O-N 2.86Å
94K88.6Confident91.6Very high168 Ų16855.2 Ų55.273%0.7330%0.301SS*.Hα-helixtrans-61-49.6177.8-174.8179.7178.6-176.90111.8S92 M97 V98S92-K94 PolarHBondContact O-N 3.41Å; S92-K94 VanDerWaalsContact O-N 3.14Å; K94-M97 PolarHBondContact O-N 3.46Å; K94-V98 WeakPolarHBondContact O-CG2 3.49Å; K94-V98 PolarHBondContact O-N 3.16Å; K94-V98 VanDerWaalsContact O-N 3.13Å
95K90Very high91.2Very high68 Ų6856.8 Ų56.830%0.29631%0.314SS..Hα-helixtrans-64.6-44.8178.7-77-169.1171.1-165.40111.1D64 L91 S92 M97 V98 Y99D64-K95 WeakPolarHBondContact OD1-CD 3.33Å; D64-K95 IonicContact OD1-NZ 2.93Å; D64-K95 PolarHBondContact OD1-NZ 3.24Å; D64-K95 IonicContact OD2-NZ 2.88Å; D64-K95 PolarHBondContact OD2-NZ 2.77Å; L91-K95 HydrophobicContact CD1-CB 3.67Å; L91-K95 HydrophobicContact CD1-CD 3.78Å; L91-K95 HydrophobicContact CD1-CG 4.36Å; L91-K95 HydrophobicContact CD2-CB 4.07Å; L91-K95 HydrophobicContact CG-CB 3.81Å; S92-K95 PolarHBondContact O-N 2.79Å; S92-K95 PolarHBondContact OG-N 3.24Å; K95-M97 VanDerWaalsContact C-N 3.3Å; K95-M97 PolarHBondContact O-N 2.84Å; K95-V98 PolarHBondContact O-N 2.97Å; K95-Y99 VanDerWaalsContact O-CD2 3.32Å; K95-Y99 WeakPolarHBondContact O-CD2 3.39Å; K95-Y99 PolarHBondContact O-N 2.89Å
96N90.9Very high90.8Very high64 Ų6456.6 Ų56.634%0.34231%0.313SS..Hα-helixtrans-56.6-45177.5-170.58.1000111.5L91 S92 T93 V98 Y99 A100L91-N96 HydrophobicContact CD2-CB 3.99Å; L91-N96 HydrophobicContact CG-CB 4.43Å; S92-N96 PolarHBondContact O-N 2.63Å; T93-N96 PolarHBondContact O-N 3.5Å; N96-V98 VanDerWaalsContact C-N 3.33Å; N96-V98 PolarHBondContact O-N 3.42Å; N96-Y99 PolarHBondContact O-N 3.47Å; N96-A100 WeakPolarHBondContact O-CB 3.48Å; N96-A100 PolarHBondContact O-N 2.71Å
97M90.8Very high90.4Very high126 Ų12660.6 Ų60.662%0.62133%0.33SS*.Hα-helixtrans-59.4-41.5174.8-75.3177.363.800112.9T93 K94 K95 A100 A101T93-M97 HydrophobicContact CG2-SD 4.33Å; T93-M97 WeakPolarHBondContact O-CB 3.37Å; T93-M97 VanDerWaalsContact O-CG 3.3Å; T93-M97 WeakPolarHBondContact O-CG 3.46Å; T93-M97 PolarHBondContact O-N 2.86Å; K94-M97 PolarHBondContact O-N 3.46Å; K95-M97 VanDerWaalsContact C-N 3.3Å; K95-M97 PolarHBondContact O-N 2.84Å; M97-A100 PolarHBondContact O-N 3.05Å; M97-A101 WeakPolarHBondContact O-CB 3.16Å; M97-A101 PolarHBondContact O-N 3.27Å
98V91.3Very high90Very high53 Ų5363.7 Ų63.732%0.32135%0.352SS..Hα-helixtrans-65.6-44.8178.5177.70000110.7I31 K94 K95 N96 A101 S102I31-V98 HydrophobicContact CD1-CG1 3.82Å; I31-V98 HydrophobicContact CG2-CG1 4.05Å; K94-V98 WeakPolarHBondContact O-CG2 3.49Å; K94-V98 PolarHBondContact O-N 3.16Å; K94-V98 VanDerWaalsContact O-N 3.13Å; K95-V98 PolarHBondContact O-N 2.97Å; N96-V98 VanDerWaalsContact C-N 3.33Å; N96-V98 PolarHBondContact O-N 3.42Å; V98-A101 PolarHBondContact O-N 2.96Å; V98-S102 VanDerWaalsContact O-CB 3.26Å; V98-S102 WeakPolarHBondContact O-CB 3.38Å; V98-S102 PolarHBondContact O-N 2.91Å; V98-S102 PolarHBondContact O-OG 2.9Å
99Y92.5Very high89.6Confident3 Ų367.7 Ų67.71%0.01237%0.371CS..Hα-helixtrans-63-44.9175.2-82.4-81000112I31 G65 Y67 T87 L91 K95 N96 A101 S102 K103I31-Y99 HydrophobicContact CB-CE1 4.41Å; I31-Y99 HydrophobicContact CD1-CD1 3.69Å; I31-Y99 HydrophobicContact CD1-CD2 4.31Å; I31-Y99 HydrophobicContact CD1-CE1 3.76Å; I31-Y99 HydrophobicContact CD1-CE2 4.39Å; I31-Y99 HydrophobicContact CD1-CG 3.94Å; I31-Y99 HydrophobicContact CG1-CD1 4.14Å; I31-Y99 HydrophobicContact CG1-CE1 3.68Å; I31-Y99 PolarHBondContact N-OH 2.94Å; G65-Y99 VanDerWaalsContact O-CZ 3.25Å; G65-Y99 PolarHBondContact O-OH 3.18Å; Y67-Y99 HydrophobicContact CD1-CD1 4.44Å; Y67-Y99 HydrophobicContact CD2-CD1 4.13Å; Y67-Y99 HydrophobicContact CD2-CE1 4.08Å; Y67-Y99 HydrophobicContact CE1-CD1 4.01Å; Y67-Y99 AromaticContact CE2-CD1 3.67Å; Y67-Y99 HydrophobicContact CE2-CD1 3.67Å; Y67-Y99 AromaticContact CE2-CE1 3.94Å; Y67-Y99 HydrophobicContact CE2-CE1 3.94Å; Y67-Y99 AromaticContact CZ-CD1 3.6Å; Y67-Y99 WeakPolarHBondContact OH-CA 3.34Å; Y67-Y99 PolarHBondContact OH-O 2.95Å; T87-Y99 HydrophobicContact CG2-CG 4.12Å; L91-Y99 HydrophobicContact CD2-CD2 4.34Å; K95-Y99 VanDerWaalsContact O-CD2 3.32Å; K95-Y99 WeakPolarHBondContact O-CD2 3.39Å; K95-Y99 PolarHBondContact O-N 2.89Å; N96-Y99 PolarHBondContact O-N 3.47Å; Y99-A101 VanDerWaalsContact C-N 3.34Å; Y99-A101 PolarHBondContact O-N 3.41Å; Y99-S102 PolarHBondContact O-N 3.24Å; Y99-K103 PolarHBondContact O-N 2.78Å; Y99-K103 VanDerWaalsContact O-N 3.08Å
100A91.7Very high89.5Confident45 Ų4560.3 Ų60.337%0.37234%0.338SS..Hα-helixtrans-61.5-43.4177.700000111.8N96 M97 K103N96-A100 WeakPolarHBondContact O-CB 3.48Å; N96-A100 PolarHBondContact O-N 2.71Å; M97-A100 PolarHBondContact O-N 3.05Å; A100-K103 WeakPolarHBondContact O-CB 3.45Å
101A90.2Very high89.3Confident47 Ų4763.7 Ų63.739%0.38835%0.352SS..Hα-helixtrans-74.8-25.5-177.100000113.1S3 M97 V98 Y99S3-A101 WeakPolarHBondContact OG-CB 3.4Å; S3-A101 PolarHBondContact OG-O 3.41Å; M97-A101 WeakPolarHBondContact O-CB 3.16Å; M97-A101 PolarHBondContact O-N 3.27Å; V98-A101 PolarHBondContact O-N 2.96Å; Y99-A101 VanDerWaalsContact C-N 3.34Å; Y99-A101 PolarHBondContact O-N 3.41Å
102S90Very high89Confident0 Ų065.4 Ų65.40%037%0.374CS..Hα-helixtrans-91-13.2-179.9-46.30000113.2V5 Y67 V98 Y99 C104 A105 V106V5-S102 WeakPolarHBondContact CG2-OG 3.48Å; Y67-S102 VanDerWaalsContact OH-C 3.29Å; Y67-S102 WeakPolarHBondContact OH-CB 2.97Å; V98-S102 VanDerWaalsContact O-CB 3.26Å; V98-S102 WeakPolarHBondContact O-CB 3.38Å; V98-S102 PolarHBondContact O-N 2.91Å; V98-S102 PolarHBondContact O-OG 2.9Å; Y99-S102 PolarHBondContact O-N 3.24Å; S102-C104 VanDerWaalsContact C-N 3.32Å; S102-C104 PolarHBondContact O-N 2.79Å; S102-A105 PolarHBondContact O-N 2.87Å; S102-V106 WeakPolarHBondContact O-CG2 3.32Å; S102-V106 PolarHBondContact O-N 3.31Å
103K90.3Very high89Confident54 Ų5463 Ų6324%0.23536%0.356CS..Hα-helixtrans-48.8-49.1-178-178.117967.3-173.50112.9Y67 F83 M85 Y99 A100 A105 V106 K107 E118Y67-K103 HydrophobicContact CE1-CB 4.41Å; Y67-K103 PolarHBondContact OH-N 3.03Å; Y67-K103 VanDerWaalsContact OH-N 3.1Å; F83-K103 HydrophobicContact CE1-CG 4.22Å; M85-K103 HydrophobicContact CE-CD 4.36Å; M85-K103 HydrophobicContact SD-CB 4.1Å; M85-K103 HydrophobicContact SD-CD 3.86Å; M85-K103 HydrophobicContact SD-CG 4.19Å; Y99-K103 PolarHBondContact O-N 2.78Å; Y99-K103 VanDerWaalsContact O-N 3.08Å; A100-K103 WeakPolarHBondContact O-CB 3.45Å; K103-A105 PolarHBondContact O-N 3.09Å; K103-V106 PolarHBondContact O-N 3.14Å; K103-K107 WeakPolarHBondContact O-CB 3.42Å; K103-K107 PolarHBondContact O-N 3.15Å; K103-E118 IonicContact NZ-OE1 2.66Å; K103-E118 PolarHBondContact NZ-OE1 3.47Å; K103-E118 IonicContact NZ-OE2 3.18Å
104C88.1Confident88.7Confident95 Ų9565 Ų6564%0.64236%0.355SS*.Hα-helixtrans-65.2-38.4-177.7-65.20000112.6S102 S108S102-C104 VanDerWaalsContact C-N 3.32Å; S102-C104 PolarHBondContact O-N 2.79Å; C104-S108 PolarHBondContact O-N 3.49Å; C104-S108 VanDerWaalsContact O-N 3.15Å
105A86.9Confident88.8Confident32 Ų3257.1 Ų57.126%0.26432%0.321SS..Hα-helixtrans-69.6-40.2179.300000111.8S102 K103 S108S102-A105 PolarHBondContact O-N 2.87Å; K103-A105 PolarHBondContact O-N 3.09Å; A105-S108 PolarHBondContact O-OG 2.64Å
106V88.4Confident88.9Confident0 Ų057.6 Ų57.60%032%0.323CS..Hα-helixtrans-69.8-45.1176.6179.50000110.9V37 Y67 F83 S102 K103 S108 Q109 F110V37-V106 HydrophobicContact CB-CG2 4.34Å; V37-V106 HydrophobicContact CG1-CG2 4.29Å; V37-V106 HydrophobicContact CG2-CG2 3.53Å; Y67-V106 HydrophobicContact CD2-CB 4.42Å; Y67-V106 HydrophobicContact CD2-CG1 4.07Å; Y67-V106 HydrophobicContact CD2-CG2 4.05Å; Y67-V106 HydrophobicContact CE2-CB 4.28Å; Y67-V106 HydrophobicContact CE2-CG1 4.43Å; Y67-V106 HydrophobicContact CE2-CG2 3.65Å; Y67-V106 HydrophobicContact CG-CG1 4.26Å; F83-V106 HydrophobicContact CE2-CG1 3.79Å; F83-V106 HydrophobicContact CZ-CB 4.39Å; F83-V106 HydrophobicContact CZ-CG1 4.03Å; S102-V106 WeakPolarHBondContact O-CG2 3.32Å; S102-V106 PolarHBondContact O-N 3.31Å; K103-V106 PolarHBondContact O-N 3.14Å; V106-S108 VanDerWaalsContact C-N 3.25Å; V106-S108 PolarHBondContact O-N 2.93Å; V106-Q109 WeakPolarHBondContact O-CB 3.36Å; V106-Q109 PolarHBondContact O-N 2.96Å; V106-F110 HydrophobicContact CG1-CD2 4.1Å; V106-F110 HydrophobicContact CG1-CE2 3.43Å; V106-F110 VanDerWaalsContact CG1-CE2 3.43Å; V106-F110 HydrophobicContact CG1-CZ 4.08Å
107K88Confident89Confident84 Ų8455.2 Ų55.237%0.36531%0.31SS..Hα-helixtrans-56.1-38.6177.6175170.5168.1157.30112.5K103 Q109 F110 F116K103-K107 WeakPolarHBondContact O-CB 3.42Å; K103-K107 PolarHBondContact O-N 3.15Å; K107-Q109 PolarHBondContact O-N 3.3Å; K107-F110 PolarHBondContact O-N 3.41Å; K107-F110 VanDerWaalsContact O-N 3.15Å; K107-F116 HydrophobicContact CD-CD1 3.59Å; K107-F116 HydrophobicContact CD-CE1 3.37Å; K107-F116 HydrophobicContact CD-CG 4.36Å; K107-F116 HydrophobicContact CD-CZ 3.94Å; K107-F116 HydrophobicContact CG-CD1 4.18Å; K107-F116 HydrophobicContact CG-CE1 3.57Å; K107-F116 HydrophobicContact CG-CZ 4.2Å; K107-F116 VanDerWaalsContact NZ-CD1 3.35Å; K107-F116 VanDerWaalsContact NZ-CG 3.25Å
108S86.7Confident89.2Confident67 Ų6753.9 Ų53.947%0.46930%0.302SS..Hα-helixtrans-67.2-21.6-179.972.30000113.6C104 A105 V106C104-S108 PolarHBondContact O-N 3.49Å; C104-S108 VanDerWaalsContact O-N 3.15Å; A105-S108 PolarHBondContact O-OG 2.64Å; V106-S108 VanDerWaalsContact C-N 3.25Å; V106-S108 PolarHBondContact O-N 2.93Å
109Q85.1Confident89.4Confident87 Ų8751.3 Ų51.341%0.40729%0.287SS..Hα-helixtrans-75.5-24.7174.4-56-54.6-60.100112.8C7 V106 K107C7-Q109 HydrophobicContact CB-CG 4Å; V106-Q109 WeakPolarHBondContact O-CB 3.36Å; V106-Q109 PolarHBondContact O-N 2.96Å; K107-Q109 PolarHBondContact O-N 3.3Å
110F88.2Confident89.4Confident4 Ų454.1 Ų54.12%0.01830%0.3CS..SBendtrans-106.572-172.4-54.3-35.2000111.6C11 F15 F29 V69 F83 V106 K107 I113C11-F110 HydrophobicContact CB-CE1 4.31Å; C11-F110 HydrophobicContact CB-CZ 4.42Å; F15-F110 HydrophobicContact CB-CD1 3.6Å; F15-F110 HydrophobicContact CB-CE1 3.84Å; F15-F110 HydrophobicContact CD1-CB 4.26Å; F15-F110 AromaticContact CD1-CD1 4Å; F15-F110 HydrophobicContact CD1-CD1 4Å; F15-F110 HydrophobicContact CD2-CB 4.04Å; F15-F110 HydrophobicContact CD2-CD1 4.01Å; F15-F110 HydrophobicContact CD2-CG 4.14Å; F15-F110 HydrophobicContact CE1-CB 4.15Å; F15-F110 HydrophobicContact CE2-CB 3.96Å; F15-F110 HydrophobicContact CG-CB 4.19Å; F15-F110 AromaticContact CG-CD1 3.58Å; F15-F110 HydrophobicContact CG-CD1 3.58Å; F15-F110 HydrophobicContact CG-CE1 4.32Å; F15-F110 HydrophobicContact CG-CG 4.15Å; F15-F110 HydrophobicContact CZ-CB 3.99Å; F29-F110 HydrophobicContact CD1-CZ 4.38Å; F29-F110 HydrophobicContact CD2-CE2 4.33Å; F29-F110 HydrophobicContact CD2-CZ 4.24Å; F29-F110 HydrophobicContact CE1-CE1 4.49Å; F29-F110 AromaticContact CE1-CZ 3.91Å; F29-F110 HydrophobicContact CE1-CZ 3.91Å; F29-F110 HydrophobicContact CE2-CE2 4.02Å; F29-F110 AromaticContact CE2-CZ 3.77Å; F29-F110 HydrophobicContact CE2-CZ 3.77Å; F29-F110 HydrophobicContact CZ-CE1 4.12Å; F29-F110 HydrophobicContact CZ-CE2 4.3Å; F29-F110 AromaticContact CZ-CZ 3.58Å; F29-F110 HydrophobicContact CZ-CZ 3.58Å; V69-F110 HydrophobicContact CG2-CD2 3.65Å; V69-F110 HydrophobicContact CG2-CE2 3.83Å; V69-F110 HydrophobicContact CG2-CG 4.16Å; V69-F110 HydrophobicContact CG2-CZ 4.49Å; F83-F110 AromaticContact CD2-CD2 3.83Å; F83-F110 HydrophobicContact CD2-CD2 3.83Å; F83-F110 HydrophobicContact CD2-CE2 4.31Å; F83-F110 AromaticContact CE2-CD2 3.82Å; F83-F110 HydrophobicContact CE2-CD2 3.82Å; F83-F110 AromaticContact CE2-CE2 3.96Å; F83-F110 HydrophobicContact CE2-CE2 3.96Å; V106-F110 HydrophobicContact CG1-CD2 4.1Å; V106-F110 HydrophobicContact CG1-CE2 3.43Å; V106-F110 VanDerWaalsContact CG1-CE2 3.43Å; V106-F110 HydrophobicContact CG1-CZ 4.08Å; K107-F110 PolarHBondContact O-N 3.41Å; K107-F110 VanDerWaalsContact O-N 3.15Å; F110-I113 HydrophobicContact CB-CD1 3.68Å; F110-I113 HydrophobicContact CB-CG1 4.39Å
111Q85.2Confident89.5Confident151 Ų15153.3 Ų53.371%0.70629%0.29SS*.THydrogen-bonded Turntrans-69.6139.6-175.2-62.8-1744.100113.5F15 K19F15-Q111 WeakPolarHBondContact CE1-O 3.25Å; F15-Q111 WeakPolarHBondContact CZ-O 3.48Å; K19-Q111 PolarHBondContact NZ-O 3.12Å
112G85.6Confident89.7Confident53 Ų5352.7 Ų52.755%0.54628%0.279SS..THydrogen-bonded Turntrans877.3176.200000115.3
113I89.7Confident89.8Confident12 Ų1259.9 Ų59.96%0.06231%0.313CS..  trans-74129.9162.5-58.5-176.9000107.9F15 V69 L81 F83 F110 H115 F116F15-I113 HydrophobicContact CE2-CD1 3.7Å; F15-I113 HydrophobicContact CE2-CG1 3.77Å; F15-I113 HydrophobicContact CZ-CD1 4.23Å; F15-I113 HydrophobicContact CZ-CG1 3.9Å; V69-I113 HydrophobicContact CG1-CD1 3.91Å; V69-I113 HydrophobicContact CG2-CD1 3.97Å; L81-I113 HydrophobicContact CB-CG1 4.17Å; L81-I113 HydrophobicContact CB-CG2 4.43Å; L81-I113 WeakPolarHBondContact O-CG2 3.16Å; F83-I113 HydrophobicContact CB-CD1 3.87Å; F83-I113 HydrophobicContact CB-CG2 3.87Å; F110-I113 HydrophobicContact CB-CD1 3.68Å; F110-I113 HydrophobicContact CB-CG1 4.39Å; I113-H115 VanDerWaalsContact CG2-O 3.26Å; I113-H115 WeakPolarHBondContact CG2-O 3.41Å; I113-F116 HydrophobicContact CB-CE1 4.22Å; I113-F116 HydrophobicContact CB-CZ 4.13Å; I113-F116 HydrophobicContact CG2-CE1 3.99Å; I113-F116 HydrophobicContact CG2-CZ 4.08Å; I113-F116 WeakPolarHBondContact O-CE2 3Å; I113-F116 WeakPolarHBondContact O-CZ 3.32Å
114K84.5Confident90Very high152 Ų15259.5 Ų59.566%0.66131%0.313SS*.  trans-98.7-29.4179.2-65-175.2178.9-176.50112.6F116 N137K114-F116 WeakPolarHBondContact O-CE2 3.06Å; K114-N137 PolarHBondContact O-ND2 3.05Å
115H90.8Very high90.2Very high3 Ų355 Ų551%0.01428%0.283CS..EExtended strand (participates in β ladder)trans-107.2128.5-172.8-49.2-67.6000110.8D80 L81 F82 F83 I113 V133 N137D80-H115 IonicContact OD1-NE2 3.87Å; D80-H115 IonicContact OD2-NE2 3.64Å; L81-H115 PolarHBondContact O-CD2 2.55Å; F82-H115 WeakPolarHBondContact CA-O 3.46Å; F82-H115 HydrophobicContact CD1-CB 3.34Å; F82-H115 HydrophobicContact CD2-CB 4.46Å; F82-H115 HydrophobicContact CE1-CB 3.36Å; F82-H115 AromaticContact CE1-CG 3.77Å; F82-H115 HydrophobicContact CE2-CB 4.47Å; F82-H115 AromaticContact CE2-CD2 3.94Å; F82-H115 HydrophobicContact CG-CB 3.93Å; F82-H115 HydrophobicContact CZ-CB 3.95Å; F82-H115 AromaticContact CZ-CD2 3.81Å; F82-H115 AromaticContact CZ-CG 3.88Å; F83-H115 PolarHBondContact N-O 3.13Å; I113-H115 VanDerWaalsContact CG2-O 3.26Å; I113-H115 WeakPolarHBondContact CG2-O 3.41Å; H115-V133 HydrophobicContact CB-CG1 4.21Å; H115-N137 VanDerWaalsContact CE1-CB 3.41Å; H115-N137 WeakPolarHBondContact CE1-CB 3.24Å; H115-N137 PolarHBondContact ND1-ND2 3.38Å; H115-N137 VanDerWaalsContact ND1-ND2 3.11Å
116F92Very high90.5Very high78 Ų7855 Ų5534%0.34228%0.281SS..EExtended strand (participates in β ladder)trans-125.7128.5-178.3-58.6-82.7000108.7F83 K107 I113 K114F83-F116 HydrophobicContact CB-CD1 3.69Å; F83-F116 HydrophobicContact CB-CE1 3.9Å; F83-F116 AromaticContact CD1-CD1 3.86Å; F83-F116 HydrophobicContact CD1-CD1 3.86Å; F83-F116 HydrophobicContact CD1-CE1 4.47Å; F83-F116 HydrophobicContact CG-CD1 4.11Å; F83-F116 HydrophobicContact CG-CE1 4.38Å; F83-F116 CarbonylContact O-C 3.56Å; F83-F116 WeakPolarHBondContact O-CA 3.17Å; K107-F116 HydrophobicContact CD-CD1 3.59Å; K107-F116 HydrophobicContact CD-CE1 3.37Å; K107-F116 HydrophobicContact CD-CG 4.36Å; K107-F116 HydrophobicContact CD-CZ 3.94Å; K107-F116 HydrophobicContact CG-CD1 4.18Å; K107-F116 HydrophobicContact CG-CE1 3.57Å; K107-F116 HydrophobicContact CG-CZ 4.2Å; K107-F116 VanDerWaalsContact NZ-CD1 3.35Å; K107-F116 VanDerWaalsContact NZ-CG 3.25Å; I113-F116 HydrophobicContact CB-CE1 4.22Å; I113-F116 HydrophobicContact CB-CZ 4.13Å; I113-F116 HydrophobicContact CG2-CE1 3.99Å; I113-F116 HydrophobicContact CG2-CZ 4.08Å; I113-F116 WeakPolarHBondContact O-CE2 3Å; I113-F116 WeakPolarHBondContact O-CZ 3.32Å; K114-F116 WeakPolarHBondContact O-CE2 3.06Å
117L93.1Very high90.7Very high13 Ų1359.3 Ų59.37%0.06830%0.301CS..EExtended strand (participates in β ladder)trans-127.8145.6179.9-68.3170.7000111F82 F83 I84 M85 F130 V133F82-L117 HydrophobicContact CD1-CD1 3.63Å; F82-L117 HydrophobicContact CD1-CG 4.25Å; F82-L117 HydrophobicContact CE1-CD1 4.01Å; F83-L117 PolarHBondContact O-N 2.87Å; I84-L117 CarbonylContact C-O 3.59Å; I84-L117 WeakPolarHBondContact CA-O 3.38Å; I84-L117 HydrophobicContact CG1-CB 4.35Å; I84-L117 HydrophobicContact CG2-CB 4.17Å; M85-L117 PolarHBondContact N-O 2.92Å; L117-F130 HydrophobicContact CD1-CD1 3.83Å; L117-F130 HydrophobicContact CD1-CE1 3.72Å; L117-V133 HydrophobicContact CD2-CB 4.24Å; L117-V133 HydrophobicContact CD2-CG1 4Å; L117-V133 HydrophobicContact CD2-CG2 3.5Å; L117-V133 HydrophobicContact CG-CG1 4.42Å
118E94.1Very high90.8Very high98 Ų9862.7 Ų62.746%0.45832%0.318SS..EExtended strand (participates in β ladder)trans-114.6125.9168.2-60.1-172.9-156.900105.8M85 K103M85-E118 HydrophobicContact CE-CB 4.36Å; M85-E118 HydrophobicContact CE-CG 3.97Å; M85-E118 WeakPolarHBondContact CE-OE2 3.35Å; K103-E118 IonicContact NZ-OE1 2.66Å; K103-E118 PolarHBondContact NZ-OE1 3.47Å; K103-E118 IonicContact NZ-OE2 3.18Å
119A95.3Very high91Very high0 Ų063.9 Ų63.90%031%0.312CS..EExtended strand (participates in β ladder)trans-131.4129.6-172.700000110.1I84 M85 W86 T87 D124 I125I84-A119 HydrophobicContact CG2-CB 3.85Å; M85-A119 PolarHBondContact O-N 3.4Å; W86-A119 WeakPolarHBondContact CA-O 3.35Å; W86-A119 HydrophobicContact CE3-CB 3.55Å; W86-A119 HydrophobicContact CZ3-CB 3.83Å; T87-A119 PolarHBondContact N-O 3.03Å; A119-D124 HydrophobicContact CB-CB 3.56Å; A119-I125 HydrophobicContact CB-CG2 3.56Å
120H94.2Very high91.3Very high62 Ų6259.7 Ų59.729%0.28729%0.293SS..SBendtrans-120.6-14.4-176-54.6-62.6000112.4T87 P88 K89 D124T87-H120 WeakPolarHBondContact O-CA 3.34Å; T87-H120 PolarHBondContact O-ND1 3Å; T87-H120 PolarHBondContact OG1-CE1 2.58Å; T87-H120 PolarHBondContact OG1-ND1 3.18Å; P88-H120 WeakPolarHBondContact CA-O 3.31Å; K89-H120 HydrophobicContact CG-CB 4.05Å; K89-H120 PolarHBondContact N-O 3.13Å; K89-H120 VanDerWaalsContact N-O 3.14Å; H120-D124 PolarHBondContact N-OD2 2.85Å
121D93.6Very high91.4Very high28 Ų2861.2 Ų61.215%0.1530%0.301CS..SBendtrans-147.9178.3172.861.243.1000111.8W86 K89 E123 D124W86-D121 VanDerWaalsContact CH2-O 3.24Å; W86-D121 WeakPolarHBondContact CH2-O 3.26Å; W86-D121 WeakPolarHBondContact CZ3-O 3.39Å; K89-D121 IonicContact NZ-OD2 2.78Å; K89-D121 PolarHBondContact NZ-OD2 3.26Å; D121-E123 PolarHBondContact O-N 2.96Å; D121-E123 WeakPolarHBondContact OD1-CA 3.32Å; D121-E123 WeakPolarHBondContact OD1-CB 3.46Å; D121-E123 PolarHBondContact OD1-N 2.77Å; D121-D124 PolarHBondContact N-OD2 3.14Å; D121-D124 PolarHBondContact O-N 2.9Å; D121-D124 PolarHBondContact OD1-N 3.32Å; D121-D124 VanDerWaalsContact OD1-N 3.08Å
122L93Very high91.6Very high33 Ų3358.1 Ų58.117%0.17329%0.287CS..SBendtrans-70.3-17.3-176.2-62.1176.2000113.3R53 M56 I57 M60 W86 I125 S126R53-L122 HydrophobicContact CG-CD2 4.12Å; M56-L122 HydrophobicContact CB-CD2 4.19Å; I57-L122 HydrophobicContact CD1-CD1 4.15Å; I57-L122 HydrophobicContact CG1-CD1 3.81Å; I57-L122 HydrophobicContact CG1-CD2 3.99Å; M60-L122 HydrophobicContact CE-CD1 3.79Å; M60-L122 HydrophobicContact CE-CD2 3.76Å; M60-L122 HydrophobicContact CE-CG 3.65Å; W86-L122 HydrophobicContact CH2-CD2 3.92Å; W86-L122 HydrophobicContact CH2-CG 4.5Å; W86-L122 HydrophobicContact CZ2-CD2 4.46Å; L122-I125 HydrophobicContact CD2-CD1 3.92Å; L122-I125 VanDerWaalsContact O-CG1 3.31Å; L122-I125 WeakPolarHBondContact O-CG1 3.41Å; L122-S126 PolarHBondContact O-N 2.71Å
123E92.9Very high91.6Very high152 Ų15256.1 Ų56.171%0.7126%0.264SS*.SBendtrans-76.9-35.6179.3-58.9-176.274.500110.4D121 I125 S126D121-E123 PolarHBondContact O-N 2.96Å; D121-E123 WeakPolarHBondContact OD1-CA 3.32Å; D121-E123 WeakPolarHBondContact OD1-CB 3.46Å; D121-E123 PolarHBondContact OD1-N 2.77Å; E123-I125 PolarHBondContact O-N 2.66Å; E123-I125 VanDerWaalsContact O-N 3.16Å; E123-S126 VanDerWaalsContact O-CB 3.29Å; E123-S126 WeakPolarHBondContact O-CB 3.37Å; E123-S126 PolarHBondContact O-N 3.27Å; E123-S126 PolarHBondContact O-OG 2.82Å
124D93.6Very high91.4Very high45 Ų4555.6 Ų55.624%0.24126%0.262CS..THydrogen-bonded Turntrans-62.1-19.8174-66.2-41.3000113.8A119 H120 D121 R129A119-D124 HydrophobicContact CB-CB 3.56Å; H120-D124 PolarHBondContact N-OD2 2.85Å; D121-D124 PolarHBondContact N-OD2 3.14Å; D121-D124 PolarHBondContact O-N 2.9Å; D121-D124 PolarHBondContact OD1-N 3.32Å; D121-D124 VanDerWaalsContact OD1-N 3.08Å; D124-R129 VanDerWaalsContact O-CG 3.3Å; D124-R129 WeakPolarHBondContact O-CG 3.44Å
125I93.3Very high91.1Very high0 Ų054.9 Ų54.90%026%0.259CS..THydrogen-bonded Turntrans-112.917.917661.4169.5000112.6Y49 F52 M56 I84 W86 A119 L122 E123 F130Y49-I125 WeakPolarHBondContact CE2-O 3.42Å; Y49-I125 PolarHBondContact OH-O 3.06Å; F52-I125 HydrophobicContact CE1-CB 4.08Å; F52-I125 HydrophobicContact CE1-CD1 3.96Å; F52-I125 HydrophobicContact CE1-CG2 4.33Å; F52-I125 HydrophobicContact CZ-CD1 4.37Å; F52-I125 HydrophobicContact CZ-CG2 4.44Å; M56-I125 HydrophobicContact CB-CD1 3.77Å; M56-I125 HydrophobicContact CG-CD1 3.61Å; I84-I125 HydrophobicContact CG2-CG2 4.18Å; W86-I125 HydrophobicContact CE3-CD1 4.35Å; W86-I125 HydrophobicContact CE3-CG2 4.02Å; W86-I125 HydrophobicContact CH2-CD1 4.09Å; W86-I125 HydrophobicContact CZ3-CD1 3.66Å; W86-I125 HydrophobicContact CZ3-CG1 3.94Å; W86-I125 HydrophobicContact CZ3-CG2 3.84Å; A119-I125 HydrophobicContact CB-CG2 3.56Å; L122-I125 HydrophobicContact CD2-CD1 3.92Å; L122-I125 VanDerWaalsContact O-CG1 3.31Å; L122-I125 WeakPolarHBondContact O-CG1 3.41Å; E123-I125 PolarHBondContact O-N 2.66Å; E123-I125 VanDerWaalsContact O-N 3.16Å; I125-F130 HydrophobicContact CB-CE2 4.26Å; I125-F130 HydrophobicContact CB-CZ 4.24Å; I125-F130 WeakPolarHBondContact O-CE2 3.35Å
126S93.4Very high90.1Very high32 Ų3259.8 Ų59.822%0.22428%0.282CS..  trans-62.3151.6175.261.60000111.7L122 E123 E128 R129 F130L122-S126 PolarHBondContact O-N 2.71Å; E123-S126 VanDerWaalsContact O-CB 3.29Å; E123-S126 WeakPolarHBondContact O-CB 3.37Å; E123-S126 PolarHBondContact O-N 3.27Å; E123-S126 PolarHBondContact O-OG 2.82Å; S126-E128 PolarHBondContact O-N 2.78Å; S126-R129 WeakPolarHBondContact O-CB 3.43Å; S126-R129 PolarHBondContact O-N 3.35Å; S126-R129 WeakPolarHBondContact OG-CB 3.49Å; S126-R129 PolarHBondContact OG-N 2.99Å; S126-F130 VanDerWaalsContact O-CD2 3.26Å; S126-F130 WeakPolarHBondContact O-CD2 3.47Å; S126-F130 PolarHBondContact O-N 3.11Å; S126-F130 VanDerWaalsContact O-N 3.07Å
127E91.4Very high88.7Confident91 Ų9159.8 Ų59.843%0.42529%0.285SS..Hα-helixtrans-56.7-36.7173.3-65.1-16588.200111.7Y49 Y72 R129 F130 N131Y49-E127 HydrophobicContact CD1-CG 3.63Å; Y49-E127 HydrophobicContact CD2-CG 3.99Å; Y49-E127 HydrophobicContact CE1-CG 3.82Å; Y49-E127 HydrophobicContact CE2-CG 4.18Å; Y49-E127 HydrophobicContact CG-CG 3.71Å; Y72-E127 HydrophobicContact CE2-CG 4.38Å; Y72-E127 PolarHBondContact OH-OE1 2.93Å; E127-R129 VanDerWaalsContact C-N 3.33Å; E127-R129 PolarHBondContact O-N 2.88Å; E127-F130 PolarHBondContact O-N 3.38Å; E127-N131 WeakPolarHBondContact O-CB 3.35Å; E127-N131 VanDerWaalsContact O-CG 3.26Å; E127-N131 PolarHBondContact O-N 3.3Å; E127-N131 PolarHBondContact O-ND2 2.93Å
128E90.9Very high87.1Confident156 Ų15665.1 Ų65.173%0.72930%0.304SS*.Hα-helixtrans-57.5-45.9173.1-176.6171.2-164.800111.6S126 F130 N131 E132S126-E128 PolarHBondContact O-N 2.78Å; E128-F130 PolarHBondContact O-N 3.01Å; E128-N131 WeakPolarHBondContact O-CB 3.15Å; E128-N131 PolarHBondContact O-N 3.29Å; E128-E132 PolarHBondContact O-N 2.91Å
129R91.1Very high85.2Confident91 Ų9167.9 Ų67.934%0.34332%0.321SS..Hα-helixtrans-63.1-42.4178.3-171.756.1172.7168.6-0.1112.7D124 S126 E127 N131 E132 V133D124-R129 VanDerWaalsContact O-CG 3.3Å; D124-R129 WeakPolarHBondContact O-CG 3.44Å; S126-R129 WeakPolarHBondContact O-CB 3.43Å; S126-R129 PolarHBondContact O-N 3.35Å; S126-R129 WeakPolarHBondContact OG-CB 3.49Å; S126-R129 PolarHBondContact OG-N 2.99Å; E127-R129 VanDerWaalsContact C-N 3.33Å; E127-R129 PolarHBondContact O-N 2.88Å; R129-N131 VanDerWaalsContact C-N 3.31Å; R129-N131 PolarHBondContact O-N 3.23Å; R129-E132 IonicContact CZ-OE2 2.68Å; R129-E132 IonicContact NH1-OE1 2.84Å; R129-E132 PolarHBondContact NH1-OE1 3.15Å; R129-E132 IonicContact NH1-OE2 2.86Å; R129-E132 PolarHBondContact NH1-OE2 3.39Å; R129-E132 PolarHBondContact O-N 3Å; R129-V133 HydrophobicContact CG-CG2 4.48Å; R129-V133 WeakPolarHBondContact O-CG2 3.39Å; R129-V133 PolarHBondContact O-N 3.34Å
130F91.6Very high82.8Confident0 Ų075.3 Ų75.30%037%0.373CS..Hα-helixtrans-62.2-39.4173.9-71.6-61.9000112.6Y49 F52 Y70 Y72 F82 I84 L117 I125 S126 E127 E128 G134Y49-F130 HydrophobicContact CE2-CE2 4.32Å; F52-F130 HydrophobicContact CE1-CE2 4.29Å; F52-F130 HydrophobicContact CE1-CZ 4.05Å; Y70-F130 HydrophobicContact CD1-CE1 4.09Å; Y70-F130 HydrophobicContact CD1-CE2 4.18Å; Y70-F130 AromaticContact CD1-CZ 3.74Å; Y70-F130 HydrophobicContact CD1-CZ 3.74Å; Y70-F130 AromaticContact CE1-CE2 3.92Å; Y70-F130 HydrophobicContact CE1-CE2 3.92Å; Y70-F130 AromaticContact CE1-CZ 3.97Å; Y70-F130 HydrophobicContact CE1-CZ 3.97Å; Y72-F130 HydrophobicContact CD1-CB 3.82Å; Y72-F130 HydrophobicContact CD1-CG 4.47Å; Y72-F130 HydrophobicContact CD2-CB 4.22Å; Y72-F130 HydrophobicContact CD2-CD2 4.08Å; Y72-F130 HydrophobicContact CD2-CG 4.15Å; Y72-F130 HydrophobicContact CE1-CB 3.76Å; Y72-F130 HydrophobicContact CE2-CB 4.19Å; Y72-F130 HydrophobicContact CE2-CD2 4.11Å; Y72-F130 HydrophobicContact CE2-CG 4.37Å; Y72-F130 HydrophobicContact CG-CB 4.06Å; Y72-F130 HydrophobicContact CG-CG 4.21Å; F82-F130 HydrophobicContact CB-CE1 4.32Å; F82-F130 AromaticContact CD1-CD1 3.75Å; F82-F130 HydrophobicContact CD1-CD1 3.75Å; F82-F130 HydrophobicContact CD1-CE1 4.09Å; F82-F130 HydrophobicContact CD2-CD1 4.18Å; F82-F130 AromaticContact CE1-CD1 3.85Å; F82-F130 HydrophobicContact CE1-CD1 3.85Å; F82-F130 HydrophobicContact CE2-CD1 4.29Å; F82-F130 AromaticContact CG-CD1 3.92Å; F82-F130 HydrophobicContact CG-CD1 3.92Å; F82-F130 HydrophobicContact CG-CE1 4.09Å; F82-F130 HydrophobicContact CZ-CB 4.46Å; F82-F130 HydrophobicContact CZ-CD1 4.13Å; I84-F130 HydrophobicContact CD1-CE1 3.6Å; I84-F130 HydrophobicContact CD1-CZ 3.54Å; I84-F130 HydrophobicContact CG1-CE1 4.26Å; L117-F130 HydrophobicContact CD1-CD1 3.83Å; L117-F130 HydrophobicContact CD1-CE1 3.72Å; I125-F130 HydrophobicContact CB-CE2 4.26Å; I125-F130 HydrophobicContact CB-CZ 4.24Å; I125-F130 WeakPolarHBondContact O-CE2 3.35Å; S126-F130 VanDerWaalsContact O-CD2 3.26Å; S126-F130 WeakPolarHBondContact O-CD2 3.47Å; S126-F130 PolarHBondContact O-N 3.11Å; S126-F130 VanDerWaalsContact O-N 3.07Å; E127-F130 PolarHBondContact O-N 3.38Å; E128-F130 PolarHBondContact O-N 3.01Å; F130-G134 PolarHBondContact O-N 3.06Å
131N89.9Confident82.2Confident36 Ų3676 Ų7619%0.19338%0.378CS..Hα-helixtrans-64.4-43.7176.2-75.9-52.7000112.3Y74 E127 E128 R129 K135Y74-N131 WeakPolarHBondContact CD1-OD1 3.22Å; E127-N131 WeakPolarHBondContact O-CB 3.35Å; E127-N131 VanDerWaalsContact O-CG 3.26Å; E127-N131 PolarHBondContact O-N 3.3Å; E127-N131 PolarHBondContact O-ND2 2.93Å; E128-N131 WeakPolarHBondContact O-CB 3.15Å; E128-N131 PolarHBondContact O-N 3.29Å; R129-N131 VanDerWaalsContact C-N 3.31Å; R129-N131 PolarHBondContact O-N 3.23Å; N131-K135 WeakPolarHBondContact O-CB 3.3Å; N131-K135 WeakPolarHBondContact O-CD 3.31Å; N131-K135 WeakPolarHBondContact O-CG 3.48Å; N131-K135 PolarHBondContact O-N 3.04Å; N131-K135 VanDerWaalsContact O-N 3.15Å
132E88.6Confident81.6Confident85 Ų8578.5 Ų78.540%0.39739%0.39SS..Hα-helixtrans-63-53.4179-168.7-162.5164.800111.4E128 R129 G134 K135 Q136E128-E132 PolarHBondContact O-N 2.91Å; R129-E132 IonicContact CZ-OE2 2.68Å; R129-E132 IonicContact NH1-OE1 2.84Å; R129-E132 PolarHBondContact NH1-OE1 3.15Å; R129-E132 IonicContact NH1-OE2 2.86Å; R129-E132 PolarHBondContact NH1-OE2 3.39Å; R129-E132 PolarHBondContact O-N 3Å; E132-G134 VanDerWaalsContact C-N 3.33Å; E132-G134 PolarHBondContact O-N 3.39Å; E132-K135 PolarHBondContact O-N 3.41Å; E132-Q136 WeakPolarHBondContact O-CG 3.07Å; E132-Q136 PolarHBondContact O-N 3.44Å; E132-Q136 VanDerWaalsContact O-N 3.1Å; E132-Q136 PolarHBondContact OE1-NE2 3.14Å
133V87.5Confident81Confident12 Ų1281 Ų817%0.07340%0.402CS..Hα-helixtrans-65.2-40.6-176.8175.20000110.7F82 H115 L117 R129 K135 Q136F82-V133 HydrophobicContact CE1-CB 4.09Å; F82-V133 HydrophobicContact CE1-CG1 3.82Å; H115-V133 HydrophobicContact CB-CG1 4.21Å; L117-V133 HydrophobicContact CD2-CB 4.24Å; L117-V133 HydrophobicContact CD2-CG1 4Å; L117-V133 HydrophobicContact CD2-CG2 3.5Å; L117-V133 HydrophobicContact CG-CG1 4.42Å; R129-V133 HydrophobicContact CG-CG2 4.48Å; R129-V133 WeakPolarHBondContact O-CG2 3.39Å; R129-V133 PolarHBondContact O-N 3.34Å; V133-K135 VanDerWaalsContact C-N 3.33Å; V133-K135 PolarHBondContact O-N 2.95Å; V133-Q136 PolarHBondContact O-N 2.96Å
134G83.8Confident80.3Confident1 Ų176.8 Ų76.81%0.0138%0.383CS..Hα-helixtrans-60.4-39.8176.200000113.7Y74 F130 E132Y74-G134 VanDerWaalsContact OH-CA 3.27Å; Y74-G134 WeakPolarHBondContact OH-CA 3.43Å; F130-G134 PolarHBondContact O-N 3.06Å; E132-G134 VanDerWaalsContact C-N 3.33Å; E132-G134 PolarHBondContact O-N 3.39Å
135K79.3Confident79.5Confident137 Ų13778.8 Ų78.860%0.59639%0.392SS*.Hα-helixtrans-72.4-41.5179.2-75171.8-176.11770112.4N131 E132 V133 N137 R138N131-K135 WeakPolarHBondContact O-CB 3.3Å; N131-K135 WeakPolarHBondContact O-CD 3.31Å; N131-K135 WeakPolarHBondContact O-CG 3.48Å; N131-K135 PolarHBondContact O-N 3.04Å; N131-K135 VanDerWaalsContact O-N 3.15Å; E132-K135 PolarHBondContact O-N 3.41Å; V133-K135 VanDerWaalsContact C-N 3.33Å; V133-K135 PolarHBondContact O-N 2.95Å; K135-N137 VanDerWaalsContact C-N 3.26Å; K135-N137 PolarHBondContact O-N 2.85Å; K135-R138 PolarHBondContact O-N 3Å
136Q70.1Confident78.5Confident106 Ų10684.1 Ų84.150%0.49542%0.419SS..Hα-helixtrans-56.6-40.7-177.8-75.3173.81.500112.1E132 V133 R138 L139E132-Q136 WeakPolarHBondContact O-CG 3.07Å; E132-Q136 PolarHBondContact O-N 3.44Å; E132-Q136 VanDerWaalsContact O-N 3.1Å; E132-Q136 PolarHBondContact OE1-NE2 3.14Å; V133-Q136 PolarHBondContact O-N 2.96Å; Q136-R138 PolarHBondContact O-N 3.08Å; Q136-L139 PolarHBondContact O-N 2.84Å
137N61.7Low77.5Confident78 Ų7887.8 Ų87.842%0.41743%0.432SS..THydrogen-bonded Turntrans-81.7-5.8179.8-97.2-33.4000114.9K114 H115 K135K114-N137 PolarHBondContact O-ND2 3.05Å; H115-N137 VanDerWaalsContact CE1-CB 3.41Å; H115-N137 WeakPolarHBondContact CE1-CB 3.24Å; H115-N137 PolarHBondContact ND1-ND2 3.38Å; H115-N137 VanDerWaalsContact ND1-ND2 3.11Å; K135-N137 VanDerWaalsContact C-N 3.26Å; K135-N137 PolarHBondContact O-N 2.85Å
138R60.1Low76.4Confident124 Ų12487.5 Ų87.547%0.46843%0.433SS..THydrogen-bonded Turntrans-89.4-14.1171.9-72-176.5-176.3-161.63.3112.7D80 K135 Q136D80-R138 IonicContact OD2-CZ 3.46Å; D80-R138 IonicContact OD2-NE 3.31Å; D80-R138 PolarHBondContact OD2-NE 3.28Å; D80-R138 IonicContact OD2-NH2 2.77Å; D80-R138 PolarHBondContact OD2-NH2 3.1Å; K135-R138 PolarHBondContact O-N 3Å; Q136-R138 PolarHBondContact O-N 3.08Å
139L53.6Low75.2Confident156 Ų15681.8 Ų81.882%0.81741%0.408SS*.  trans-100-3.5-178.5-67.5171.4000113.6Q136Q136-L139 PolarHBondContact O-N 2.84Å
140S44.9Very low73.7Confident156 Ų15681 Ų81100%1.09141%0.414SS*.  trans-106.30174.1-56.40000110.6

Retrieved 140 of 140 residues in 38.2 ms (Link to these results)

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