A0A077Z3R4_TRITR Loading...

ribose-phosphate diphosphokinase

Catalyzes the synthesis of phosphoribosylpyrophosphate (PRPP) that is essential for nucleotide synthesis.

AlphaFold DB , UniProt , Accession A0A077Z3R4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 318 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
1M62.1Low92Very high181 Ų18146.3 Ų46.389%0.89224%0.243SC*.  0145.40-82.1165.716700107.5
2P77.8Confident92.4Very high33 Ų3343.1 Ų43.121%0.21423%0.226CC..PPolyproline II helixtrans-56.7153.6168.329.7-37.6000109.7G50 D52 Y83 H304P2-G50 WeakPolarHBondContact CB-O 3.44Å; P2-D52 HydrophobicContact CB-CB 4.11Å; P2-D52 HydrophobicContact CG-CB 3.83Å; P2-Y83 HydrophobicContact CB-CD1 4.24Å; P2-Y83 HydrophobicContact CB-CG 4.33Å; P2-Y83 HydrophobicContact CG-CD1 3.73Å; P2-Y83 HydrophobicContact CG-CE1 4.15Å; P2-Y83 HydrophobicContact CG-CG 4.27Å; P2-H304 PolarHBondContact O-CE1 2.79Å
3N92.4Very high92.7Very high103 Ų10348.5 Ų48.555%0.55125%0.249SC*.PPolyproline II helixtrans-77.3149.1170.9-51.2-61.7000109.2E51 D52N3-E51 VanDerWaalsContact CA-OE2 3.27Å; N3-E51 WeakPolarHBondContact CA-OE2 3.29Å; N3-E51 WeakPolarHBondContact CB-OE2 3.34Å; N3-E51 PolarHBondContact N-OE2 3.42Å; N3-E51 PolarHBondContact ND2-OE1 2.88Å; N3-E51 PolarHBondContact ND2-OE2 3.4Å; N3-D52 PolarHBondContact O-N 3.27Å
4I96.8Very high93Very high38 Ų3851.2 Ų51.220%0.19526%0.26CS..EExtended strand (participates in β ladder)trans-77.3132.9171.8-174.5169000110.3V6 L23 I25 D52 Y54 I300 H304I4-V6 HydrophobicContact CD1-CG2 4.42Å; I4-V6 HydrophobicContact CG1-CG2 4.34Å; I4-L23 HydrophobicContact CD1-CD1 4.31Å; I4-I25 HydrophobicContact CD1-CD1 4.37Å; I4-I25 HydrophobicContact CG1-CD1 4.33Å; I4-I25 HydrophobicContact CG2-CD1 4.26Å; I4-I25 HydrophobicContact CG2-CG2 4.24Å; I4-D52 WeakPolarHBondContact CA-O 3.43Å; I4-Y54 HydrophobicContact CD1-CD2 4.1Å; I4-Y54 HydrophobicContact CD1-CE2 4Å; I4-Y54 HydrophobicContact CG1-CD2 3.89Å; I4-Y54 HydrophobicContact CG1-CE2 3.98Å; I4-I300 HydrophobicContact CD1-CG2 3.51Å; I4-H304 HydrophobicContact CD1-CB 4.39Å
5K97.9Very high93.3Very high54 Ų5447.9 Ų47.924%0.23524%0.243CC..EExtended strand (participates in β ladder)trans-129.3126.4170.8-71.9-61.3-160.1159.30110.2F7 E46 E51 D52 V53 Y54K5-F7 HydrophobicContact CB-CE2 3.71Å; K5-F7 HydrophobicContact CB-CZ 4.28Å; K5-E46 VanDerWaalsContact CD-OE1 3.31Å; K5-E46 WeakPolarHBondContact CD-OE1 3.35Å; K5-E46 WeakPolarHBondContact CE-OE1 3.49Å; K5-E46 IonicContact NZ-OE1 3.57Å; K5-E46 PolarHBondContact NZ-OE1 2.97Å; K5-E46 IonicContact NZ-OE2 3.63Å; K5-E46 PolarHBondContact NZ-OE2 3.03Å; K5-E51 HydrophobicContact CG-CB 4.07Å; K5-E51 HydrophobicContact CG-CG 4.21Å; K5-D52 PolarHBondContact N-O 2.93Å; K5-V53 HydrophobicContact CB-CG2 4.45Å; K5-V53 CarbonylContact O-C 3.45Å; K5-V53 WeakPolarHBondContact O-CA 3.45Å; K5-Y54 PolarHBondContact O-N 3.32Å
6V98.5Very high93.6Very high0 Ų044.9 Ų44.90%023%0.229CC..EExtended strand (participates in β ladder)trans-113.9125.9178.2178.50000109.2I4 L23 I25 G28 Y54 I56I4-V6 HydrophobicContact CD1-CG2 4.42Å; I4-V6 HydrophobicContact CG1-CG2 4.34Å; V6-L23 HydrophobicContact CG2-CD1 3.99Å; V6-I25 HydrophobicContact CB-CD1 4.08Å; V6-I25 HydrophobicContact CG2-CD1 3.49Å; V6-I25 VanDerWaalsContact CG2-CD1 3.49Å; V6-G28 WeakPolarHBondContact O-CA 3.49Å; V6-G28 PolarHBondContact O-N 2.79Å; V6-Y54 CarbonylContact C-O 3.53Å; V6-Y54 WeakPolarHBondContact CA-O 3.49Å; V6-I56 HydrophobicContact CG1-CD1 3.39Å; V6-I56 HydrophobicContact CG1-CG1 4.05Å
7F98.4Very high93.9Very high0 Ų045.9 Ų45.90%024%0.24CC..EExtended strand (participates in β ladder)trans-119.6151.4173-56.3-96.3000109.7K5 G28 V30 I44 E46 V48 V53 Y54 L55 I56 M73K5-F7 HydrophobicContact CB-CE2 3.71Å; K5-F7 HydrophobicContact CB-CZ 4.28Å; F7-G28 VanDerWaalsContact CD1-C 3.45Å; F7-G28 VanDerWaalsContact CE1-CA 3.5Å; F7-V30 HydrophobicContact CD1-CB 4.23Å; F7-I44 HydrophobicContact CD1-CG2 4.46Å; F7-I44 HydrophobicContact CE1-CG2 3.73Å; F7-I44 HydrophobicContact CZ-CG2 3.81Å; F7-E46 HydrophobicContact CE1-CG 3.74Å; F7-E46 WeakPolarHBondContact CE1-OE1 3.49Å; F7-E46 HydrophobicContact CZ-CG 3.72Å; F7-E46 WeakPolarHBondContact CZ-OE1 3.45Å; F7-V48 HydrophobicContact CE2-CG1 3.66Å; F7-V48 HydrophobicContact CZ-CG1 3.51Å; F7-V53 HydrophobicContact CD2-CG1 3.72Å; F7-V53 HydrophobicContact CE2-CG1 3.82Å; F7-Y54 PolarHBondContact N-O 2.91Å; F7-L55 HydrophobicContact CB-CD2 3.76Å; F7-L55 HydrophobicContact CD2-CD2 3.88Å; F7-L55 HydrophobicContact CG-CD2 4.16Å; F7-I56 PolarHBondContact O-N 2.89Å; F7-M73 HydrophobicContact CB-CE 4.03Å
8S97.6Very high94.1Very high13 Ų1346.4 Ų46.49%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-112.7137.1174.9-171.20000110.2A16 V30S8-A16 VanDerWaalsContact OG-CB 3.28Å; S8-A16 WeakPolarHBondContact OG-CB 3.5Å; S8-V30 WeakPolarHBondContact O-CG1 3.1Å
9G97.1Very high94.3Very high1 Ų144 Ų441%0.0123%0.227CC..  trans-74.8-173.6156.800000111.5I56 Q57 E69G9-I56 PolarHBondContact N-O 2.82Å; G9-Q57 VanDerWaalsContact C-OE1 3.23Å; G9-E69 VanDerWaalsContact CA-OE1 3.23Å; G9-E69 WeakPolarHBondContact CA-OE1 3.36Å
10N96.5Very high94.5Very high70 Ų7042.1 Ų42.137%0.37422%0.218SC..SBendtrans-79.9-13.7-175.2-78-42.8000114.4H12 Q13 A32 E69N10-H12 PolarHBondContact O-N 3.32Å; N10-Q13 PolarHBondContact OD1-NE2 3.19Å; N10-A32 WeakPolarHBondContact ND2-CB 3.36Å; N10-A32 PolarHBondContact ND2-O 3.28Å; N10-E69 PolarHBondContact N-OE1 3.43Å; N10-E69 PolarHBondContact ND2-OE2 3.33Å
11S96.9Very high94.7Very high16 Ų1646.6 Ų46.611%0.11224%0.238CC..SBendtrans-66.8-35.8-168.178.70000113.9Q57 S58 N66 P276S11-Q57 VanDerWaalsContact CB-OE1 3.23Å; S11-Q57 PolarHBondContact OG-OE1 3.13Å; S11-Q57 VanDerWaalsContact OG-OE1 3.05Å; S11-S58 VanDerWaalsContact CB-O 3.26Å; S11-S58 WeakPolarHBondContact CB-O 3.29Å; S11-S58 PolarHBondContact OG-N 2.8Å; S11-S58 PolarHBondContact OG-O 3.15Å; S11-N66 WeakPolarHBondContact CB-ND2 3.38Å; S11-P276 WeakPolarHBondContact O-CG 3.09Å
12H97Very high96.3Very high8 Ų841.9 Ų41.94%0.03721%0.21CC..  trans-158.568-174.3-163.3-4.3000112.6N10 E14 L15 A16 N273 P276N10-H12 PolarHBondContact O-N 3.32Å; H12-E14 VanDerWaalsContact C-N 3.28Å; H12-E14 IonicContact CE1-OE2 2.83Å; H12-E14 PolarHBondContact O-N 3.38Å; H12-L15 HydrophobicContact CB-CB 4.24Å; H12-L15 VanDerWaalsContact CD2-CB 3.48Å; H12-L15 WeakPolarHBondContact CD2-CB 3.42Å; H12-L15 PolarHBondContact ND1-N 2.67Å; H12-L15 PolarHBondContact O-N 2.82Å; H12-L15 VanDerWaalsContact O-N 3.16Å; H12-A16 PolarHBondContact O-N 2.93Å; H12-N273 PolarHBondContact CD2-O 3.5Å; H12-N273 VanDerWaalsContact CD2-O 3.31Å; H12-N273 PolarHBondContact NE2-O 3.39Å; H12-N273 VanDerWaalsContact NE2-O 3.14Å; H12-P276 HydrophobicContact CB-CG 3.87Å; H12-P276 VanDerWaalsContact CD2-CD 3.43Å; H12-P276 WeakPolarHBondContact CD2-CD 3.43Å; H12-P276 WeakPolarHBondContact NE2-CA 2.98Å
13Q95.9Very high97.2Very high113 Ų11341.8 Ų41.853%0.52821%0.207SC..Hα-helixtrans-58.5-36.8-179.2-64179.45.500113.1N10 L15 A16 C17N10-Q13 PolarHBondContact OD1-NE2 3.19Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; Q13-L15 PolarHBondContact O-N 2.87Å; Q13-A16 PolarHBondContact O-N 3.49Å; Q13-A16 VanDerWaalsContact O-N 3.16Å; Q13-C17 PolarHBondContact O-N 3.19Å; Q13-C17 PolarHBondContact O-SG 3.39Å; Q13-C17 VanDerWaalsContact O-SG 3.35Å
14E96.7Very high97.3Very high87 Ų8745.3 Ų45.341%0.40722%0.221SC..Hα-helixtrans-57.8-41.9177.2-171.6-157.3160.900112.6H12 C17 K18H12-E14 VanDerWaalsContact C-N 3.28Å; H12-E14 IonicContact CE1-OE2 2.83Å; H12-E14 PolarHBondContact O-N 3.38Å; E14-C17 PolarHBondContact O-N 3.27Å; E14-K18 WeakPolarHBondContact O-CG 3.34Å; E14-K18 PolarHBondContact O-N 3Å; E14-K18 VanDerWaalsContact OE1-CE 3.28Å; E14-K18 WeakPolarHBondContact OE1-CE 3.06Å; E14-K18 IonicContact OE1-NZ 2.83Å; E14-K18 PolarHBondContact OE1-NZ 3.06Å
15L98.2Very high97.3Very high1 Ų145.9 Ų45.91%0.00522%0.224CC..Hα-helixtrans-65.8-41.8177.517766.3000111H12 Q13 K18 I19 P90 L296H12-L15 HydrophobicContact CB-CB 4.24Å; H12-L15 VanDerWaalsContact CD2-CB 3.48Å; H12-L15 WeakPolarHBondContact CD2-CB 3.42Å; H12-L15 PolarHBondContact ND1-N 2.67Å; H12-L15 PolarHBondContact O-N 2.82Å; H12-L15 VanDerWaalsContact O-N 3.16Å; Q13-L15 VanDerWaalsContact C-N 3.32Å; Q13-L15 PolarHBondContact O-N 2.87Å; L15-K18 PolarHBondContact O-N 2.85Å; L15-I19 HydrophobicContact CD1-CD1 4.23Å; L15-I19 HydrophobicContact CG-CD1 3.95Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 3.43Å; L15-P90 HydrophobicContact CD2-CB 4.2Å; L15-P90 HydrophobicContact CD2-CG 3.66Å; L15-L296 HydrophobicContact CD1-CD1 4.19Å; L15-L296 HydrophobicContact CD2-CD1 4.12Å; L15-L296 HydrophobicContact CG-CD1 4.5Å
16A98Very high97.2Very high1 Ų151.8 Ų51.81%0.00825%0.252CS..Hα-helixtrans-63.8-42.9177.200000112S8 H12 Q13 K18 I19 C20 I56S8-A16 VanDerWaalsContact OG-CB 3.28Å; S8-A16 WeakPolarHBondContact OG-CB 3.5Å; H12-A16 PolarHBondContact O-N 2.93Å; Q13-A16 PolarHBondContact O-N 3.49Å; Q13-A16 VanDerWaalsContact O-N 3.16Å; A16-K18 PolarHBondContact O-N 2.79Å; A16-I19 PolarHBondContact O-N 3.24Å; A16-I19 VanDerWaalsContact O-N 3.16Å; A16-C20 PolarHBondContact O-N 3.13Å; A16-C20 PolarHBondContact O-SG 2.95Å; A16-C20 VanDerWaalsContact O-SG 3.37Å; A16-I56 HydrophobicContact CB-CB 4.29Å; A16-I56 HydrophobicContact CB-CD1 3.87Å; A16-I56 HydrophobicContact CB-CG2 4.24Å
17C97.7Very high97.1Very high62 Ų6254.4 Ų54.442%0.41927%0.27SS..Hα-helixtrans-57-48.6173.3-68.30000111.3Q13 E14 I19 C20 E21Q13-C17 PolarHBondContact O-N 3.19Å; Q13-C17 PolarHBondContact O-SG 3.39Å; Q13-C17 VanDerWaalsContact O-SG 3.35Å; E14-C17 PolarHBondContact O-N 3.27Å; C17-I19 VanDerWaalsContact C-N 3.25Å; C17-I19 PolarHBondContact O-N 2.82Å; C17-C20 PolarHBondContact O-N 2.97Å; C17-E21 WeakPolarHBondContact O-CB 3.29Å; C17-E21 WeakPolarHBondContact O-CG 3.34Å; C17-E21 PolarHBondContact O-N 3.23Å
18K98.3Very high96.9Very high55 Ų5554.6 Ų54.624%0.23927%0.273CS..Hα-helixtrans-59.6-33.2177-80.3-178.7-175.5171.20113.6E14 L15 A16 R22E14-K18 WeakPolarHBondContact O-CG 3.34Å; E14-K18 PolarHBondContact O-N 3Å; E14-K18 VanDerWaalsContact OE1-CE 3.28Å; E14-K18 WeakPolarHBondContact OE1-CE 3.06Å; E14-K18 IonicContact OE1-NZ 2.83Å; E14-K18 PolarHBondContact OE1-NZ 3.06Å; L15-K18 PolarHBondContact O-N 2.85Å; A16-K18 PolarHBondContact O-N 2.79Å; K18-R22 WeakPolarHBondContact O-CD 3.35Å; K18-R22 VanDerWaalsContact O-CG 3.28Å; K18-R22 WeakPolarHBondContact O-CG 3.25Å; K18-R22 PolarHBondContact O-N 2.81Å; K18-R22 PolarHBondContact O-NH1 3.46Å
19I98.5Very high96.9Very high0 Ų062.1 Ų62.10%030%0.299CS..Hα-helixtrans-72-48.2175.2-73.5164.1000110.2L15 A16 C17 E21 R22 L23 I56 L296 A297 I300L15-I19 HydrophobicContact CD1-CD1 4.23Å; L15-I19 HydrophobicContact CG-CD1 3.95Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 3.43Å; A16-I19 PolarHBondContact O-N 3.24Å; A16-I19 VanDerWaalsContact O-N 3.16Å; C17-I19 VanDerWaalsContact C-N 3.25Å; C17-I19 PolarHBondContact O-N 2.82Å; I19-E21 PolarHBondContact O-N 3.43Å; I19-R22 PolarHBondContact O-N 2.81Å; I19-L23 HydrophobicContact CG2-CD1 3.82Å; I19-L23 HydrophobicContact CG2-CG 4.49Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 3.5Å; I19-I56 HydrophobicContact CB-CD1 4.11Å; I19-I56 HydrophobicContact CD1-CD1 3.77Å; I19-I56 HydrophobicContact CG2-CD1 3.91Å; I19-L296 HydrophobicContact CD1-CB 3.73Å; I19-L296 HydrophobicContact CD1-CD1 3.94Å; I19-L296 HydrophobicContact CD1-CG 4.47Å; I19-L296 HydrophobicContact CG1-CB 4.09Å; I19-A297 HydrophobicContact CG2-CB 4.22Å; I19-I300 HydrophobicContact CG2-CD1 3.65Å
20C98.2Very high96.8Very high5 Ų563.9 Ų63.93%0.03431%0.309CS..Hα-helixtrans-61.3-42.8178.6-70.10000112.5A16 C17 R22 L23 Q24 I25A16-C20 PolarHBondContact O-N 3.13Å; A16-C20 PolarHBondContact O-SG 2.95Å; A16-C20 VanDerWaalsContact O-SG 3.37Å; C17-C20 PolarHBondContact O-N 2.97Å; C20-R22 VanDerWaalsContact C-N 3.3Å; C20-R22 PolarHBondContact O-N 3.33Å; C20-L23 CarbonylContact O-C 3.53Å; C20-L23 PolarHBondContact O-N 2.86Å; C20-Q24 PolarHBondContact O-N 2.9Å; C20-I25 CarbonylContact C-O 3.58Å; C20-I25 HydrophobicContact CB-CG1 4.36Å; C20-I25 WeakPolarHBondContact CB-O 3.4Å; C20-I25 PolarHBondContact O-N 2.94Å; C20-I25 VanDerWaalsContact O-N 3.07Å
21E97.5Very high96.8Very high138 Ų13863.5 Ų63.565%0.64531%0.31SS*.Hα-helixtrans-57-42.9175.2-76.3172.1-175.600111.9C17 I19 Q24C17-E21 WeakPolarHBondContact O-CB 3.29Å; C17-E21 WeakPolarHBondContact O-CG 3.34Å; C17-E21 PolarHBondContact O-N 3.23Å; I19-E21 PolarHBondContact O-N 3.43Å; E21-Q24 PolarHBondContact O-N 3.21Å
22R95.5Very high96.6Very high82 Ų8263.7 Ų63.731%0.30931%0.312SS..Hα-helixtrans-72.1-34.8178.5-72.9176.8173.381-12.5113.1K18 I19 C20 Q24 D291 S293 M294 A297K18-R22 WeakPolarHBondContact O-CD 3.35Å; K18-R22 VanDerWaalsContact O-CG 3.28Å; K18-R22 WeakPolarHBondContact O-CG 3.25Å; K18-R22 PolarHBondContact O-N 2.81Å; K18-R22 PolarHBondContact O-NH1 3.46Å; I19-R22 PolarHBondContact O-N 2.81Å; C20-R22 VanDerWaalsContact C-N 3.3Å; C20-R22 PolarHBondContact O-N 3.33Å; R22-Q24 PolarHBondContact O-N 3.2Å; R22-D291 IonicContact CZ-OD2 2.65Å; R22-D291 IonicContact NH1-OD2 2.78Å; R22-D291 IonicContact NH2-OD1 3.67Å; R22-D291 IonicContact NH2-OD2 3.75Å; R22-D291 PolarHBondContact NH2-OD2 2.99Å; R22-S293 PolarHBondContact NH1-OG 3.21Å; R22-S293 PolarHBondContact NH2-OG 2.78Å; R22-M294 VanDerWaalsContact CD-CA 3.49Å; R22-M294 HydrophobicContact CG-CE 4.32Å; R22-M294 HydrophobicContact CG-SD 4.32Å; R22-A297 HydrophobicContact CB-CB 3.75Å
23L96.5Very high96.4Very high30 Ų3068.3 Ų68.316%0.15733%0.332CS..Hα-helixtrans-73.8-9.9171.8-71.7173.3000112.7I4 V6 I19 C20 I25 A297 I300 R301I4-L23 HydrophobicContact CD1-CD1 4.31Å; V6-L23 HydrophobicContact CG2-CD1 3.99Å; I19-L23 HydrophobicContact CG2-CD1 3.82Å; I19-L23 HydrophobicContact CG2-CG 4.49Å; I19-L23 WeakPolarHBondContact O-CG 3.44Å; I19-L23 PolarHBondContact O-N 3.5Å; C20-L23 CarbonylContact O-C 3.53Å; C20-L23 PolarHBondContact O-N 2.86Å; L23-I25 VanDerWaalsContact C-N 3.28Å; L23-I25 HydrophobicContact CB-CD1 3.96Å; L23-I25 HydrophobicContact CB-CG1 3.81Å; L23-I25 HydrophobicContact CD1-CD1 3.96Å; L23-I25 PolarHBondContact O-N 2.94Å; L23-A297 HydrophobicContact CD2-CB 4.38Å; L23-A297 WeakPolarHBondContact CD2-O 3.34Å; L23-A297 HydrophobicContact CG-CB 4.1Å; L23-I300 HydrophobicContact CD1-CB 4.25Å; L23-I300 HydrophobicContact CD1-CD1 4.4Å; L23-I300 HydrophobicContact CD1-CG2 3.71Å; L23-I300 HydrophobicContact CD2-CG2 4.38Å; L23-R301 HydrophobicContact CD2-CB 3.89Å
24Q96.1Very high96.3Very high178 Ų17866.8 Ų66.883%0.83232%0.324SS*.THydrogen-bonded Turntrans56.241-174.9-57.9-177.5-23.700112.8C20 E21 R22C20-Q24 PolarHBondContact O-N 2.9Å; E21-Q24 PolarHBondContact O-N 3.21Å; R22-Q24 PolarHBondContact O-N 3.2Å
25I96.2Very high96.1Very high49 Ų4967.3 Ų67.325%0.25133%0.325SS..  trans-127.3156.9177.564-179.6000110.8I4 V6 C20 L23I4-I25 HydrophobicContact CD1-CD1 4.37Å; I4-I25 HydrophobicContact CG1-CD1 4.33Å; I4-I25 HydrophobicContact CG2-CD1 4.26Å; I4-I25 HydrophobicContact CG2-CG2 4.24Å; V6-I25 HydrophobicContact CB-CD1 4.08Å; V6-I25 HydrophobicContact CG2-CD1 3.49Å; V6-I25 VanDerWaalsContact CG2-CD1 3.49Å; C20-I25 CarbonylContact C-O 3.58Å; C20-I25 HydrophobicContact CB-CG1 4.36Å; C20-I25 WeakPolarHBondContact CB-O 3.4Å; C20-I25 PolarHBondContact O-N 2.94Å; C20-I25 VanDerWaalsContact O-N 3.07Å; L23-I25 VanDerWaalsContact C-N 3.28Å; L23-I25 HydrophobicContact CB-CD1 3.96Å; L23-I25 HydrophobicContact CB-CG1 3.81Å; L23-I25 HydrophobicContact CD1-CD1 3.96Å; L23-I25 PolarHBondContact O-N 2.94Å
26E95.7Very high95.9Very high178 Ų17873.3 Ų73.383%0.83237%0.367SS*.PPolyproline II helixtrans-78.4141.7171-65.7-176.517500110.7G28E26-G28 PolarHBondContact O-N 3.43Å
27S95.7Very high95.8Very high55 Ų5577.6 Ų77.639%0.38539%0.39SS..PPolyproline II helixtrans-64.6130.5170.5-176.20000109.7
28G95.9Very high95.5Very high5 Ų581.6 Ų81.65%0.05240%0.402CS..PPolyproline II helixtrans-60143.817300000111.1V6 F7 E26 E46V6-G28 WeakPolarHBondContact O-CA 3.49Å; V6-G28 PolarHBondContact O-N 2.79Å; F7-G28 VanDerWaalsContact CD1-C 3.45Å; F7-G28 VanDerWaalsContact CE1-CA 3.5Å; E26-G28 PolarHBondContact O-N 3.43Å; G28-E46 WeakPolarHBondContact CA-OE1 3.35Å
29R96.4Very high95.4Very high170 Ų17084.7 Ų84.764%0.64242%0.418SS*.PPolyproline II helixtrans-78.2124.4-179.1-62.3-178.3-58.8-1622.3109.8G45R29-G45 PolarHBondContact NE-O 3.02Å; R29-G45 PolarHBondContact NH2-O 3Å; R29-G45 WeakPolarHBondContact O-CA 3.18Å; R29-G45 PolarHBondContact O-N 3.29Å
30V96.2Very high95.3Very high38 Ų3885.7 Ų85.723%0.2342%0.424CS..EExtended strand (participates in β ladder)trans-137.6135.3173.457.80000109.2F7 S8 V42 E43 I44 M73F7-V30 HydrophobicContact CD1-CB 4.23Å; S8-V30 WeakPolarHBondContact O-CG1 3.1Å; V30-V42 HydrophobicContact CG2-CG1 4.04Å; V30-E43 WeakPolarHBondContact CA-O 3.29Å; V30-I44 HydrophobicContact CG2-CD1 4.05Å; V30-M73 HydrophobicContact CG1-CE 4.4Å; V30-M73 HydrophobicContact CG2-CE 4.18Å
31T94.9Very high95.2Very high63 Ų6386 Ų8639%0.38743%0.426SS..EExtended strand (participates in β ladder)trans-97.2117.3166.8-59.80000107.1K33 V42 E43T31-K33 HydrophobicContact CG2-CD 4.07Å; T31-K33 HydrophobicContact CG2-CG 4.4Å; T31-V42 CarbonylContact O-C 3.57Å; T31-V42 VanDerWaalsContact O-CA 3.26Å; T31-V42 WeakPolarHBondContact O-CA 3.24Å; T31-E43 PolarHBondContact N-O 2.85Å; T31-E43 PolarHBondContact O-N 2.85Å
32A93Very high95.2Very high19 Ų1980.4 Ų80.416%0.15740%0.401CS..EExtended strand (participates in β ladder)trans-128109.717500000108.9N10 C41 V42 E69N10-A32 WeakPolarHBondContact ND2-CB 3.36Å; N10-A32 PolarHBondContact ND2-O 3.28Å; A32-C41 WeakPolarHBondContact CA-O 3.32Å; A32-V42 HydrophobicContact CB-CG2 4.43Å; A32-E69 HydrophobicContact CB-CG 4.17Å; A32-E69 WeakPolarHBondContact CB-OE2 3.41Å
33K94.2Very high95.2Very high106 Ų10681.8 Ų81.846%0.46141%0.411SS..EExtended strand (participates in β ladder)trans-141.4166.9-173.266.4-173176.7-168.20111.3T31 C41T31-K33 HydrophobicContact CG2-CD 4.07Å; T31-K33 HydrophobicContact CG2-CG 4.4Å; K33-C41 HydrophobicContact CG-CB 3.84Å; K33-C41 PolarHBondContact N-O 3.26Å; K33-C41 PolarHBondContact O-N 2.89Å
34K92.9Very high95.3Very high80 Ų8082.1 Ų82.135%0.34841%0.412SS..EExtended strand (participates in β ladder)trans-96.3136.4170.9-68.3-62.6-160164.50110.8H38 E39 T40 D65K34-H38 WeakPolarHBondContact CD-O 3.21Å; K34-H38 PolarHBondContact NZ-O 2.7Å; K34-E39 CarbonylContact C-O 3.55Å; K34-E39 WeakPolarHBondContact CA-O 3.44Å; K34-T40 PolarHBondContact NZ-OG1 2.84Å; K34-D65 VanDerWaalsContact CE-OD2 3.31Å; K34-D65 WeakPolarHBondContact CE-OD2 3.46Å; K34-D65 IonicContact NZ-OD1 3.22Å; K34-D65 PolarHBondContact NZ-OD1 2.87Å; K34-D65 IonicContact NZ-OD2 2.9Å; K34-D65 PolarHBondContact NZ-OD2 2.91Å
35F93.7Very high95.2Very high98 Ų9875.5 Ų75.543%0.4339%0.392SS..  trans-68.7165162.1-70.7-65.5000110.1N37 H38 E39 C41F35-N37 WeakPolarHBondContact CB-OD1 3.42Å; F35-N37 PolarHBondContact O-N 3.47Å; F35-N37 VanDerWaalsContact O-N 3.15Å; F35-H38 PolarHBondContact O-N 2.97Å; F35-E39 HydrophobicContact CB-CB 4.41Å; F35-E39 HydrophobicContact CD2-CB 3.85Å; F35-E39 PolarHBondContact N-O 2.62Å; F35-C41 HydrophobicContact CD2-CB 3.88Å; F35-C41 HydrophobicContact CE1-CB 4.1Å; F35-C41 HydrophobicContact CE2-CB 3.43Å; F35-C41 VanDerWaalsContact CE2-CB 3.43Å; F35-C41 HydrophobicContact CG-CB 4.41Å; F35-C41 HydrophobicContact CZ-CB 3.55Å; F35-C41 VanDerWaalsContact CZ-SG 3.56Å
36S93.2Very high95.2Very high128 Ų12875.3 Ų75.390%0.89539%0.39SS*.THydrogen-bonded Turntrans-62.5-19.9179.451.50000113.9
37N95.2Very high95.3Very high90 Ų9071 Ų7148%0.48138%0.379SS..THydrogen-bonded Turntrans-91.49.4173.668.4-11000113.5F35 E39F35-N37 WeakPolarHBondContact CB-OD1 3.42Å; F35-N37 PolarHBondContact O-N 3.47Å; F35-N37 VanDerWaalsContact O-N 3.15Å; N37-E39 VanDerWaalsContact C-N 3.29Å; N37-E39 PolarHBondContact ND2-OE2 2.89Å; N37-E39 PolarHBondContact O-N 3.08Å; N37-E39 WeakPolarHBondContact OD1-CB 3.49Å; N37-E39 PolarHBondContact OD1-N 3.12Å; N37-E39 VanDerWaalsContact OD1-N 3.13Å
38H92.2Very high95.4Very high147 Ų14768.5 Ų68.568%0.68136%0.362SS*.SBendtrans71.46.7-177.8-51.6-82.1000116.7K34 F35K34-H38 WeakPolarHBondContact CD-O 3.21Å; K34-H38 PolarHBondContact NZ-O 2.7Å; F35-H38 PolarHBondContact O-N 2.97Å
39E96.1Very high95.4Very high120 Ų12076 Ų7656%0.56139%0.388SS*.  trans-65.8148.5167.4-72.4177162.600111K34 F35 N37K34-E39 CarbonylContact C-O 3.55Å; K34-E39 WeakPolarHBondContact CA-O 3.44Å; F35-E39 HydrophobicContact CB-CB 4.41Å; F35-E39 HydrophobicContact CD2-CB 3.85Å; F35-E39 PolarHBondContact N-O 2.62Å; N37-E39 VanDerWaalsContact C-N 3.29Å; N37-E39 PolarHBondContact ND2-OE2 2.89Å; N37-E39 PolarHBondContact O-N 3.08Å; N37-E39 WeakPolarHBondContact OD1-CB 3.49Å; N37-E39 PolarHBondContact OD1-N 3.12Å; N37-E39 VanDerWaalsContact OD1-N 3.13Å
40T96.2Very high95.5Very high21 Ų2169.6 Ų69.613%0.12938%0.376CS..EExtended strand (participates in β ladder)trans-87.7127.3179-55.80000110.3K34 V42 E69 I72K34-T40 PolarHBondContact NZ-OG1 2.84Å; T40-V42 HydrophobicContact CG2-CG2 4.05Å; T40-E69 HydrophobicContact CG2-CB 3.88Å; T40-E69 HydrophobicContact CG2-CG 4.05Å; T40-I72 HydrophobicContact CG2-CD1 4.15Å
41C95.5Very high95.6Very high12 Ų1269.3 Ų69.38%0.08137%0.372CS..EExtended strand (participates in β ladder)trans-109120.2175.3-179.80000109.1A32 K33 F35A32-C41 WeakPolarHBondContact CA-O 3.32Å; K33-C41 HydrophobicContact CG-CB 3.84Å; K33-C41 PolarHBondContact N-O 3.26Å; K33-C41 PolarHBondContact O-N 2.89Å; F35-C41 HydrophobicContact CD2-CB 3.88Å; F35-C41 HydrophobicContact CE1-CB 4.1Å; F35-C41 HydrophobicContact CE2-CB 3.43Å; F35-C41 VanDerWaalsContact CE2-CB 3.43Å; F35-C41 HydrophobicContact CG-CB 4.41Å; F35-C41 HydrophobicContact CZ-CB 3.55Å; F35-C41 VanDerWaalsContact CZ-SG 3.56Å
42V97.2Very high95.7Very high20 Ų2066.4 Ų66.412%0.12135%0.354CS..EExtended strand (participates in β ladder)trans-124131.8176.81750000109.6V30 T31 A32 T40 I44 E69 I72 M73V30-V42 HydrophobicContact CG2-CG1 4.04Å; T31-V42 CarbonylContact O-C 3.57Å; T31-V42 VanDerWaalsContact O-CA 3.26Å; T31-V42 WeakPolarHBondContact O-CA 3.24Å; A32-V42 HydrophobicContact CB-CG2 4.43Å; T40-V42 HydrophobicContact CG2-CG2 4.05Å; V42-I44 HydrophobicContact CG1-CD1 4.35Å; V42-E69 HydrophobicContact CG2-CG 3.9Å; V42-I72 HydrophobicContact CB-CB 4.4Å; V42-I72 HydrophobicContact CB-CG2 3.73Å; V42-I72 HydrophobicContact CG2-CB 4.14Å; V42-I72 HydrophobicContact CG2-CG2 3.98Å; V42-M73 HydrophobicContact CB-CG 4.44Å; V42-M73 HydrophobicContact CG1-CB 4.36Å; V42-M73 HydrophobicContact CG1-CG 3.49Å; V42-M73 VanDerWaalsContact CG1-CG 3.49Å; V42-M73 HydrophobicContact CG2-CG 4.14Å
43E97Very high96Very high111 Ų11165.5 Ų65.552%0.51935%0.346SS..EExtended strand (participates in β ladder)trans-132.4120.5172.4-65.2173.9-171.700109.7V30 T31 G45V30-E43 WeakPolarHBondContact CA-O 3.29Å; T31-E43 PolarHBondContact N-O 2.85Å; T31-E43 PolarHBondContact O-N 2.85Å; E43-G45 PolarHBondContact O-N 3.39Å
44I97.5Very high96.2Very high37 Ų3760.4 Ų60.419%0.1932%0.324CS..EExtended strand (participates in β ladder)trans-78.3115173-52.2-60.1000108F7 V30 V42 E46 V48 A76F7-I44 HydrophobicContact CD1-CG2 4.46Å; F7-I44 HydrophobicContact CE1-CG2 3.73Å; F7-I44 HydrophobicContact CZ-CG2 3.81Å; V30-I44 HydrophobicContact CG2-CD1 4.05Å; V42-I44 HydrophobicContact CG1-CD1 4.35Å; I44-E46 VanDerWaalsContact C-N 3.25Å; I44-E46 PolarHBondContact O-N 3.05Å; I44-V48 HydrophobicContact CG2-CG1 3.87Å; I44-A76 HydrophobicContact CG1-CB 3.98Å
45G95.2Very high96.5Very high38 Ų3856.6 Ų56.639%0.39231%0.308SS..  trans-84.213.5-170.200000115.2R29 E43R29-G45 PolarHBondContact NE-O 3.02Å; R29-G45 PolarHBondContact NH2-O 3Å; R29-G45 WeakPolarHBondContact O-CA 3.18Å; R29-G45 PolarHBondContact O-N 3.29Å; E43-G45 PolarHBondContact O-N 3.39Å
46E96.1Very high96.7Very high46 Ų4652.1 Ų52.122%0.21529%0.288CS..SBendtrans-152.2159.8177.556.9177.4-161.500111.6K5 F7 G28 I44 V48K5-E46 VanDerWaalsContact CD-OE1 3.31Å; K5-E46 WeakPolarHBondContact CD-OE1 3.35Å; K5-E46 WeakPolarHBondContact CE-OE1 3.49Å; K5-E46 IonicContact NZ-OE1 3.57Å; K5-E46 PolarHBondContact NZ-OE1 2.97Å; K5-E46 IonicContact NZ-OE2 3.63Å; K5-E46 PolarHBondContact NZ-OE2 3.03Å; F7-E46 HydrophobicContact CE1-CG 3.74Å; F7-E46 WeakPolarHBondContact CE1-OE1 3.49Å; F7-E46 HydrophobicContact CZ-CG 3.72Å; F7-E46 WeakPolarHBondContact CZ-OE1 3.45Å; G28-E46 WeakPolarHBondContact CA-OE1 3.35Å; I44-E46 VanDerWaalsContact C-N 3.25Å; I44-E46 PolarHBondContact O-N 3.05Å; E46-V48 PolarHBondContact O-N 3.43Å
47S96.5Very high97Very high88 Ų8846.1 Ų46.162%0.61525%0.246SC*.  trans-68.9128.1175.5175.50000110.1R49S47-R49 PolarHBondContact OG-N 3.15Å
48V97.7Very high97.1Very high2 Ų242 Ų421%0.01222%0.224CC..  trans-110.88.3172.5-630000112.6F7 I44 E46 G50 E51 V53 C77 A80 S82F7-V48 HydrophobicContact CE2-CG1 3.66Å; F7-V48 HydrophobicContact CZ-CG1 3.51Å; I44-V48 HydrophobicContact CG2-CG1 3.87Å; E46-V48 PolarHBondContact O-N 3.43Å; V48-G50 PolarHBondContact O-N 3.49Å; V48-E51 WeakPolarHBondContact O-CB 3.48Å; V48-E51 PolarHBondContact O-N 3.3Å; V48-V53 HydrophobicContact CB-CG2 3.82Å; V48-V53 HydrophobicContact CG1-CG2 4.03Å; V48-C77 HydrophobicContact CG2-CB 4.38Å; V48-A80 HydrophobicContact CG2-CB 3.61Å; V48-S82 WeakPolarHBondContact O-CA 3.46Å; V48-S82 WeakPolarHBondContact O-CB 3.36Å
49R97.7Very high97.3Very high161 Ų16135.5 Ų35.561%0.60820%0.197SC*.THydrogen-bonded Turntrans-60121.4-178178.6179-63.7-75.6-5.7110.6S47 E51 S81S47-R49 PolarHBondContact OG-N 3.15Å; R49-E51 PolarHBondContact O-N 3.1Å; R49-S81 WeakPolarHBondContact CA-O 3.28Å; R49-S81 VanDerWaalsContact NH1-CB 3.31Å; R49-S81 PolarHBondContact NH1-OG 3.48Å; R49-S81 VanDerWaalsContact NH1-OG 3.09Å
50G97.4Very high97.2Very high37 Ų3730.3 Ų30.338%0.38117%0.174SC..THydrogen-bonded Turntrans72.56.8-17900000114.6P2 V48 S81 Y83P2-G50 WeakPolarHBondContact CB-O 3.44Å; V48-G50 PolarHBondContact O-N 3.49Å; G50-S81 PolarHBondContact N-O 3.42Å; G50-Y83 WeakPolarHBondContact O-CB 3.32Å
51E97.7Very high97.1Very high32 Ų3232.6 Ų32.615%0.1520%0.202CC..  trans-92.1156.6-179.3-53-63.1-166.300112.2N3 K5 V48 R49 V53 Y83 R84N3-E51 VanDerWaalsContact CA-OE2 3.27Å; N3-E51 WeakPolarHBondContact CA-OE2 3.29Å; N3-E51 WeakPolarHBondContact CB-OE2 3.34Å; N3-E51 PolarHBondContact N-OE2 3.42Å; N3-E51 PolarHBondContact ND2-OE1 2.88Å; N3-E51 PolarHBondContact ND2-OE2 3.4Å; K5-E51 HydrophobicContact CG-CB 4.07Å; K5-E51 HydrophobicContact CG-CG 4.21Å; V48-E51 WeakPolarHBondContact O-CB 3.48Å; V48-E51 PolarHBondContact O-N 3.3Å; R49-E51 PolarHBondContact O-N 3.1Å; E51-V53 HydrophobicContact CB-CG2 4.36Å; E51-Y83 WeakPolarHBondContact O-CB 3.43Å; E51-Y83 PolarHBondContact O-N 2.71Å; E51-R84 PolarHBondContact O-N 2.89Å
52D98.3Very high97Very high1 Ų138.5 Ų38.51%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-93.9102.7173-173.522.7000108.9P2 N3 I4 K5 Y54 R84 H304P2-D52 HydrophobicContact CB-CB 4.11Å; P2-D52 HydrophobicContact CG-CB 3.83Å; N3-D52 PolarHBondContact O-N 3.27Å; I4-D52 WeakPolarHBondContact CA-O 3.43Å; K5-D52 PolarHBondContact N-O 2.93Å; D52-Y54 PolarHBondContact OD2-OH 3.17Å; D52-R84 WeakPolarHBondContact OD1-CB 3.08Å; D52-R84 IonicContact OD1-CZ 2.83Å; D52-R84 IonicContact OD1-NE 2.92Å; D52-R84 PolarHBondContact OD1-NE 3.47Å; D52-R84 IonicContact OD1-NH2 3.59Å; D52-R84 PolarHBondContact OD1-NH2 3.18Å; D52-R84 IonicContact OD2-CZ 2.78Å; D52-R84 IonicContact OD2-NE 3.39Å; D52-R84 IonicContact OD2-NH2 2.81Å; D52-R84 PolarHBondContact OD2-NH2 2.71Å; D52-H304 IonicContact OD2-CE1 3.6Å; D52-H304 IonicContact OD2-CG 2.82Å; D52-H304 IonicContact OD2-ND1 3.76Å; D52-H304 PolarHBondContact OD2-ND1 3.42Å
53V98.7Very high97Very high0 Ų039.7 Ų39.70%024%0.236CC..EExtended strand (participates in β ladder)trans-99.2131.8-167.2-179.30000110.3K5 F7 V48 E51 L55 C77 R84 T86K5-V53 HydrophobicContact CB-CG2 4.45Å; K5-V53 CarbonylContact O-C 3.45Å; K5-V53 WeakPolarHBondContact O-CA 3.45Å; F7-V53 HydrophobicContact CD2-CG1 3.72Å; F7-V53 HydrophobicContact CE2-CG1 3.82Å; V48-V53 HydrophobicContact CB-CG2 3.82Å; V48-V53 HydrophobicContact CG1-CG2 4.03Å; E51-V53 HydrophobicContact CB-CG2 4.36Å; V53-L55 HydrophobicContact CG1-CD2 3.64Å; V53-L55 HydrophobicContact CG1-CG 4.05Å; V53-C77 HydrophobicContact CG1-CB 4.43Å; V53-R84 PolarHBondContact N-O 3.36Å; V53-T86 PolarHBondContact O-N 3.2Å
54Y98.8Very high97Very high0 Ų038.7 Ų38.70%023%0.234CC..EExtended strand (participates in β ladder)trans-116.7123172.7-66.9-96.7000109.5I4 K5 V6 F7 D52 R84 T86 V88 I125 I300 T303 H304I4-Y54 HydrophobicContact CD1-CD2 4.1Å; I4-Y54 HydrophobicContact CD1-CE2 4Å; I4-Y54 HydrophobicContact CG1-CD2 3.89Å; I4-Y54 HydrophobicContact CG1-CE2 3.98Å; K5-Y54 PolarHBondContact O-N 3.32Å; V6-Y54 CarbonylContact C-O 3.53Å; V6-Y54 WeakPolarHBondContact CA-O 3.49Å; F7-Y54 PolarHBondContact N-O 2.91Å; D52-Y54 PolarHBondContact OD2-OH 3.17Å; Y54-R84 PolarHBondContact OH-NH2 3.39Å; Y54-T86 CarbonylContact C-O 3.58Å; Y54-T86 VanDerWaalsContact CA-O 3.31Å; Y54-T86 WeakPolarHBondContact CA-O 3.43Å; Y54-T86 HydrophobicContact CD1-CG2 3.64Å; Y54-T86 HydrophobicContact CE1-CG2 3.68Å; Y54-V88 HydrophobicContact CD1-CG2 3.94Å; Y54-I125 HydrophobicContact CD1-CD1 4.45Å; Y54-I125 HydrophobicContact CE1-CD1 4.13Å; Y54-I300 HydrophobicContact CD1-CB 4.2Å; Y54-I300 HydrophobicContact CD1-CD1 4.42Å; Y54-I300 HydrophobicContact CD1-CG1 3.72Å; Y54-I300 HydrophobicContact CD1-CG2 3.78Å; Y54-I300 HydrophobicContact CD2-CG2 3.91Å; Y54-I300 HydrophobicContact CE1-CB 4.15Å; Y54-I300 HydrophobicContact CE1-CG1 4.04Å; Y54-I300 HydrophobicContact CE1-CG2 3.8Å; Y54-I300 HydrophobicContact CE2-CG2 3.94Å; Y54-I300 HydrophobicContact CG-CG1 4.35Å; Y54-I300 HydrophobicContact CG-CG2 3.82Å; Y54-I300 PolarHBondContact OH-O 3.25Å; Y54-T303 HydrophobicContact CE1-CG2 4.49Å; Y54-H304 HydrophobicContact CE2-CB 4.38Å; Y54-H304 WeakPolarHBondContact OH-CA 3.47Å; Y54-H304 PolarHBondContact OH-N 3.27Å
55L98.8Very high97Very high0 Ų039.8 Ų39.80%024%0.24CC..EExtended strand (participates in β ladder)trans-110.1110.3-178.9-57179.1000109.3F7 V53 L70 M73 I74 V85 T86 V88F7-L55 HydrophobicContact CB-CD2 3.76Å; F7-L55 HydrophobicContact CD2-CD2 3.88Å; F7-L55 HydrophobicContact CG-CD2 4.16Å; V53-L55 HydrophobicContact CG1-CD2 3.64Å; V53-L55 HydrophobicContact CG1-CG 4.05Å; L55-L70 HydrophobicContact CB-CD1 3.96Å; L55-L70 HydrophobicContact CD1-CD1 4.49Å; L55-M73 HydrophobicContact CD1-CB 3.84Å; L55-M73 HydrophobicContact CD2-CE 4.07Å; L55-I74 HydrophobicContact CD1-CB 4.25Å; L55-I74 HydrophobicContact CD1-CG1 3.63Å; L55-V85 HydrophobicContact CD1-CG1 3.73Å; L55-V85 HydrophobicContact CG-CG1 4.23Å; L55-T86 PolarHBondContact N-O 3.34Å; L55-V88 PolarHBondContact O-N 3.47Å
56I98.8Very high97.1Very high3 Ų338.8 Ų38.82%0.01523%0.225CC..EExtended strand (participates in β ladder)trans-90.9117-178.6-57.6169.2000109V6 F7 G9 A16 I19 V88V6-I56 HydrophobicContact CG1-CD1 3.39Å; V6-I56 HydrophobicContact CG1-CG1 4.05Å; F7-I56 PolarHBondContact O-N 2.89Å; G9-I56 PolarHBondContact N-O 2.82Å; A16-I56 HydrophobicContact CB-CB 4.29Å; A16-I56 HydrophobicContact CB-CD1 3.87Å; A16-I56 HydrophobicContact CB-CG2 4.24Å; I19-I56 HydrophobicContact CB-CD1 4.11Å; I19-I56 HydrophobicContact CD1-CD1 3.77Å; I19-I56 HydrophobicContact CG2-CD1 3.91Å; I56-V88 WeakPolarHBondContact CA-O 3.27Å; I56-V88 HydrophobicContact CG1-CB 4.05Å; I56-V88 HydrophobicContact CG1-CG1 4.39Å; I56-V88 HydrophobicContact CG1-CG2 4.46Å
57Q98.4Very high97.3Very high3 Ų337.3 Ų37.31%0.01422%0.219CC..  trans-151126.9172.4-173.684.6-56.300109.8G9 S11 N66 E69 L70 V88 I89G9-Q57 VanDerWaalsContact C-OE1 3.23Å; S11-Q57 VanDerWaalsContact CB-OE1 3.23Å; S11-Q57 PolarHBondContact OG-OE1 3.13Å; S11-Q57 VanDerWaalsContact OG-OE1 3.05Å; Q57-N66 HydrophobicContact CG-CB 4.26Å; Q57-N66 PolarHBondContact NE2-O 3.06Å; Q57-E69 PolarHBondContact NE2-OE1 2.58Å; Q57-L70 HydrophobicContact CB-CB 4.16Å; Q57-L70 HydrophobicContact CB-CD1 4.05Å; Q57-L70 HydrophobicContact CB-CD2 4.17Å; Q57-L70 HydrophobicContact CB-CG 4.35Å; Q57-L70 HydrophobicContact CG-CB 4.13Å; Q57-V88 PolarHBondContact N-O 3.31Å; Q57-I89 VanDerWaalsContact O-CA 3.31Å; Q57-I89 WeakPolarHBondContact O-CA 3.31Å; Q57-I89 WeakPolarHBondContact O-CG2 3.29Å
58S98.2Very high97.3Very high2 Ų237.6 Ų37.61%0.01421%0.212CC..  trans-98.4142.9176.9-161.80000111.5S11 C60 C91 T274S11-S58 VanDerWaalsContact CB-O 3.26Å; S11-S58 WeakPolarHBondContact CB-O 3.29Å; S11-S58 PolarHBondContact OG-N 2.8Å; S11-S58 PolarHBondContact OG-O 3.15Å; S58-C60 PolarHBondContact O-N 3.13Å; S58-C91 WeakPolarHBondContact OG-CB 3.48Å; S58-C91 PolarHBondContact OG-N 3.38Å; S58-T274 VanDerWaalsContact CB-O 3.3Å; S58-T274 WeakPolarHBondContact CB-O 3.33Å; S58-T274 PolarHBondContact OG-O 3.19Å
59G95.9Very high97.4Very high12 Ų1237.9 Ų37.912%0.12421%0.213CC..SBendtrans-7761.8178.900000113.2C91G59-C91 VanDerWaalsContact CA-O 3.25Å; G59-C91 WeakPolarHBondContact CA-O 3.39Å; G59-C91 PolarHBondContact N-O 2.75Å
60C94.8Very high97.4Very high10 Ų1030.4 Ų30.47%0.06819%0.185CC..  trans-136.3173.3-179.262.10000112.4S58 E62 N66 I275S58-C60 PolarHBondContact O-N 3.13Å; C60-E62 PolarHBondContact O-N 3.43Å; C60-N66 PolarHBondContact O-ND2 3.07Å; C60-I275 HydrophobicContact CB-CB 4.26Å; C60-I275 HydrophobicContact CB-CD1 3.96Å; C60-I275 HydrophobicContact CB-CG1 3.84Å; C60-I275 HydrophobicContact CB-CG2 3.65Å
61G92.4Very high97.5Very high69 Ų6929.6 Ų29.671%0.71117%0.172SC*.SBendtrans63.7-126.7-178.900000111.6V63G61-V63 PolarHBondContact O-N 3.1Å
62E94.7Very high97.5Very high136 Ų13630.6 Ų30.664%0.63618%0.178SC*.SBendtrans-72.272.8170.2-60.9-55.2136.700110.5C60 N64 D65 N66C60-E62 PolarHBondContact O-N 3.43Å; E62-N64 PolarHBondContact O-N 2.94Å; E62-N64 VanDerWaalsContact O-N 3.12Å; E62-D65 HydrophobicContact CB-CB 3.91Å; E62-D65 PolarHBondContact O-N 3.49Å; E62-N66 WeakPolarHBondContact O-CB 3.27Å; E62-N66 PolarHBondContact O-N 3.31Å; E62-N66 PolarHBondContact O-ND2 3.39Å
63V96.7Very high97.6Very high46 Ų4630.5 Ų30.528%0.27918%0.177SC..Hα-helixtrans-51.2-42.3-169.31760000112.7G61 L67 P93 Y94G61-V63 PolarHBondContact O-N 3.1Å; V63-L67 VanDerWaalsContact O-CB 3.3Å; V63-L67 WeakPolarHBondContact O-CB 3.31Å; V63-L67 PolarHBondContact O-N 3.07Å; V63-P93 HydrophobicContact CG1-CB 3.65Å; V63-Y94 HydrophobicContact CG1-CE2 4.14Å
64N97.6Very high97.6Very high90 Ų9030.5 Ų30.548%0.48118%0.177SC..Hα-helixtrans-74-38.7-177.6-69.3-19.3000112.7E62 L67 M68 Y94E62-N64 PolarHBondContact O-N 2.94Å; E62-N64 VanDerWaalsContact O-N 3.12Å; N64-L67 PolarHBondContact O-N 2.85Å; N64-M68 WeakPolarHBondContact O-CB 3.39Å; N64-M68 WeakPolarHBondContact O-CG 3.46Å; N64-M68 PolarHBondContact O-N 3.41Å; N64-Y94 PolarHBondContact ND2-OH 2.97Å; N64-Y94 PolarHBondContact OD1-OH 3.46Å
65D96.9Very high97.6Very high59 Ų5934.2 Ų34.232%0.31620%0.197SC..Hα-helixtrans-67.7-43176.7-74.3-24.9000110.7K34 E62 L67 M68 E69K34-D65 VanDerWaalsContact CE-OD2 3.31Å; K34-D65 WeakPolarHBondContact CE-OD2 3.46Å; K34-D65 IonicContact NZ-OD1 3.22Å; K34-D65 PolarHBondContact NZ-OD1 2.87Å; K34-D65 IonicContact NZ-OD2 2.9Å; K34-D65 PolarHBondContact NZ-OD2 2.91Å; E62-D65 HydrophobicContact CB-CB 3.91Å; E62-D65 PolarHBondContact O-N 3.49Å; D65-L67 VanDerWaalsContact C-N 3.33Å; D65-L67 PolarHBondContact O-N 3.3Å; D65-M68 PolarHBondContact O-N 2.92Å; D65-E69 VanDerWaalsContact O-CB 3.27Å; D65-E69 WeakPolarHBondContact O-CB 3.31Å; D65-E69 PolarHBondContact O-N 3.37Å
66N97.7Very high97.5Very high17 Ų1735.3 Ų35.39%0.09121%0.206CC..Hα-helixtrans-65.6-36.6177.3-70.8-21.9000112S11 Q57 C60 E62 L70S11-N66 WeakPolarHBondContact CB-ND2 3.38Å; Q57-N66 HydrophobicContact CG-CB 4.26Å; Q57-N66 PolarHBondContact NE2-O 3.06Å; C60-N66 PolarHBondContact O-ND2 3.07Å; E62-N66 WeakPolarHBondContact O-CB 3.27Å; E62-N66 PolarHBondContact O-N 3.31Å; E62-N66 PolarHBondContact O-ND2 3.39Å; N66-L70 WeakPolarHBondContact O-CB 3.27Å; N66-L70 PolarHBondContact O-N 3.23Å
67L98.5Very high97.5Very high15 Ų1535.2 Ų35.28%0.07921%0.206CC..Hα-helixtrans-65.8-47.7172.5176.359.8000111.4V63 N64 D65 E69 L70 L71 P93 Y94 V112 M115V63-L67 VanDerWaalsContact O-CB 3.3Å; V63-L67 WeakPolarHBondContact O-CB 3.31Å; V63-L67 PolarHBondContact O-N 3.07Å; N64-L67 PolarHBondContact O-N 2.85Å; D65-L67 VanDerWaalsContact C-N 3.33Å; D65-L67 PolarHBondContact O-N 3.3Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 2.95Å; L67-L70 PolarHBondContact O-N 3.12Å; L67-L71 HydrophobicContact CD1-CD1 4.42Å; L67-L71 HydrophobicContact CD1-CG 4.35Å; L67-L71 HydrophobicContact CG-CD1 4.27Å; L67-L71 VanDerWaalsContact O-CG 3.3Å; L67-L71 WeakPolarHBondContact O-CG 3.45Å; L67-L71 PolarHBondContact O-N 3.12Å; L67-P93 HydrophobicContact CD1-CG 4.42Å; L67-Y94 HydrophobicContact CD2-CE2 4.32Å; L67-V112 HydrophobicContact CD1-CG1 3.99Å; L67-V112 HydrophobicContact CD2-CG1 4.37Å; L67-V112 HydrophobicContact CD2-CG2 3.97Å; L67-M115 HydrophobicContact CD2-CE 3.93Å
68M98.2Very high97.5Very high94 Ų9439.1 Ų39.146%0.46322%0.223SC..Hα-helixtrans-61.4-40.7176.6-78-56.6-54.900112N64 D65 L71 I72N64-M68 WeakPolarHBondContact O-CB 3.39Å; N64-M68 WeakPolarHBondContact O-CG 3.46Å; N64-M68 PolarHBondContact O-N 3.41Å; D65-M68 PolarHBondContact O-N 2.92Å; M68-L71 PolarHBondContact O-N 2.91Å; M68-L71 HydrophobicContact SD-CD1 4.05Å; M68-I72 WeakPolarHBondContact O-CD1 3.45Å; M68-I72 VanDerWaalsContact O-CG1 3.24Å; M68-I72 WeakPolarHBondContact O-CG1 3.42Å; M68-I72 PolarHBondContact O-N 3.16Å
69E98.5Very high97.5Very high8 Ų844.9 Ų44.94%0.03725%0.252CS..Hα-helixtrans-58.3-48.6174.3-171.9178.290.600111.5G9 N10 A32 T40 V42 Q57 D65 L67 L71 I72 M73G9-E69 VanDerWaalsContact CA-OE1 3.23Å; G9-E69 WeakPolarHBondContact CA-OE1 3.36Å; N10-E69 PolarHBondContact N-OE1 3.43Å; N10-E69 PolarHBondContact ND2-OE2 3.33Å; A32-E69 HydrophobicContact CB-CG 4.17Å; A32-E69 WeakPolarHBondContact CB-OE2 3.41Å; T40-E69 HydrophobicContact CG2-CB 3.88Å; T40-E69 HydrophobicContact CG2-CG 4.05Å; V42-E69 HydrophobicContact CG2-CG 3.9Å; Q57-E69 PolarHBondContact NE2-OE1 2.58Å; D65-E69 VanDerWaalsContact O-CB 3.27Å; D65-E69 WeakPolarHBondContact O-CB 3.31Å; D65-E69 PolarHBondContact O-N 3.37Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 2.95Å; E69-L71 PolarHBondContact O-N 3.24Å; E69-I72 PolarHBondContact O-N 3.34Å; E69-M73 HydrophobicContact CG-SD 4.21Å; E69-M73 VanDerWaalsContact O-CG 3.27Å; E69-M73 WeakPolarHBondContact O-CG 3.27Å; E69-M73 PolarHBondContact O-N 3.1Å
70L98.7Very high97.6Very high4 Ų446.1 Ų46.12%0.02126%0.261CS..Hα-helixtrans-60-44.4176.9177.461.7000111.9L55 Q57 N66 L67 I72 M73 I74 A87 I89 L116L55-L70 HydrophobicContact CB-CD1 3.96Å; L55-L70 HydrophobicContact CD1-CD1 4.49Å; Q57-L70 HydrophobicContact CB-CB 4.16Å; Q57-L70 HydrophobicContact CB-CD1 4.05Å; Q57-L70 HydrophobicContact CB-CD2 4.17Å; Q57-L70 HydrophobicContact CB-CG 4.35Å; Q57-L70 HydrophobicContact CG-CB 4.13Å; N66-L70 WeakPolarHBondContact O-CB 3.27Å; N66-L70 PolarHBondContact O-N 3.23Å; L67-L70 PolarHBondContact O-N 3.12Å; L70-I72 VanDerWaalsContact C-N 3.31Å; L70-I72 PolarHBondContact O-N 3.26Å; L70-M73 PolarHBondContact O-N 2.91Å; L70-I74 HydrophobicContact CD1-CD1 3.99Å; L70-I74 HydrophobicContact CD1-CG1 4.11Å; L70-I74 HydrophobicContact CG-CD1 3.81Å; L70-I74 HydrophobicContact CG-CG1 4.4Å; L70-I74 WeakPolarHBondContact O-CD1 3.24Å; L70-I74 VanDerWaalsContact O-CG1 3.23Å; L70-I74 WeakPolarHBondContact O-CG1 3.39Å; L70-I74 PolarHBondContact O-N 3.19Å; L70-A87 HydrophobicContact CD1-CB 4.39Å; L70-I89 HydrophobicContact CD2-CD1 3.75Å; L70-I89 HydrophobicContact CD2-CG1 3.94Å; L70-L116 HydrophobicContact CD2-CD2 3.68Å; L70-L116 HydrophobicContact CG-CD2 4.13Å
71L98.8Very high97.7Very high20 Ų2048.3 Ų48.311%0.10528%0.277CS..Hα-helixtrans-59.7-42177.5-67.8170.4000111.7L67 M68 E69 N75 M115 L116 A119L67-L71 HydrophobicContact CD1-CD1 4.42Å; L67-L71 HydrophobicContact CD1-CG 4.35Å; L67-L71 HydrophobicContact CG-CD1 4.27Å; L67-L71 VanDerWaalsContact O-CG 3.3Å; L67-L71 WeakPolarHBondContact O-CG 3.45Å; L67-L71 PolarHBondContact O-N 3.12Å; M68-L71 PolarHBondContact O-N 2.91Å; M68-L71 HydrophobicContact SD-CD1 4.05Å; E69-L71 PolarHBondContact O-N 3.24Å; L71-N75 WeakPolarHBondContact O-CB 3.01Å; L71-N75 PolarHBondContact O-N 2.88Å; L71-M115 HydrophobicContact CD1-CB 4.16Å; L71-M115 HydrophobicContact CD1-SD 4.33Å; L71-M115 VanDerWaalsContact CD2-C 3.48Å; L71-M115 HydrophobicContact CD2-CB 3.87Å; L71-M115 WeakPolarHBondContact CD2-O 2.93Å; L71-L116 HydrophobicContact CD2-CD2 3.99Å; L71-L116 HydrophobicContact CD2-CG 4.36Å; L71-A119 HydrophobicContact CB-CB 4.41Å; L71-A119 HydrophobicContact CD2-CB 3.75Å
72I98.7Very high98Very high53 Ų5345.6 Ų45.627%0.27225%0.247SC..Hα-helixtrans-68.7-41.7177.7-61.7163.2000110.6T40 V42 M68 E69 L70 N75 A76T40-I72 HydrophobicContact CG2-CD1 4.15Å; V42-I72 HydrophobicContact CB-CB 4.4Å; V42-I72 HydrophobicContact CB-CG2 3.73Å; V42-I72 HydrophobicContact CG2-CB 4.14Å; V42-I72 HydrophobicContact CG2-CG2 3.98Å; M68-I72 WeakPolarHBondContact O-CD1 3.45Å; M68-I72 VanDerWaalsContact O-CG1 3.24Å; M68-I72 WeakPolarHBondContact O-CG1 3.42Å; M68-I72 PolarHBondContact O-N 3.16Å; E69-I72 PolarHBondContact O-N 3.34Å; L70-I72 VanDerWaalsContact C-N 3.31Å; L70-I72 PolarHBondContact O-N 3.26Å; I72-N75 PolarHBondContact O-N 3.43Å; I72-A76 WeakPolarHBondContact O-CB 3.36Å; I72-A76 PolarHBondContact O-N 3.48Å
73M98.7Very high98.1Very high0 Ų046.8 Ų46.80%025%0.247CC..Hα-helixtrans-59.9-45.6175.8-69.91728200111.8F7 V30 V42 L55 E69 L70 A76 C77F7-M73 HydrophobicContact CB-CE 4.03Å; V30-M73 HydrophobicContact CG1-CE 4.4Å; V30-M73 HydrophobicContact CG2-CE 4.18Å; V42-M73 HydrophobicContact CB-CG 4.44Å; V42-M73 HydrophobicContact CG1-CB 4.36Å; V42-M73 HydrophobicContact CG1-CG 3.49Å; V42-M73 VanDerWaalsContact CG1-CG 3.49Å; V42-M73 HydrophobicContact CG2-CG 4.14Å; L55-M73 HydrophobicContact CD1-CB 3.84Å; L55-M73 HydrophobicContact CD2-CE 4.07Å; E69-M73 HydrophobicContact CG-SD 4.21Å; E69-M73 VanDerWaalsContact O-CG 3.27Å; E69-M73 WeakPolarHBondContact O-CG 3.27Å; E69-M73 PolarHBondContact O-N 3.1Å; L70-M73 PolarHBondContact O-N 2.91Å; M73-A76 PolarHBondContact O-N 3.42Å; M73-C77 PolarHBondContact O-N 3.08Å; M73-C77 PolarHBondContact O-SG 2.89Å
74I98.8Very high98.2Very high0 Ų047.1 Ų47.10%024%0.243CC..Hα-helixtrans-58.9-52.1176.9-68.4162.2000109.6L55 L70 A76 C77 K78 V85 A87 L116 A119 G120 A121L55-I74 HydrophobicContact CD1-CB 4.25Å; L55-I74 HydrophobicContact CD1-CG1 3.63Å; L70-I74 HydrophobicContact CD1-CD1 3.99Å; L70-I74 HydrophobicContact CD1-CG1 4.11Å; L70-I74 HydrophobicContact CG-CD1 3.81Å; L70-I74 HydrophobicContact CG-CG1 4.4Å; L70-I74 WeakPolarHBondContact O-CD1 3.24Å; L70-I74 VanDerWaalsContact O-CG1 3.23Å; L70-I74 WeakPolarHBondContact O-CG1 3.39Å; L70-I74 PolarHBondContact O-N 3.19Å; I74-A76 VanDerWaalsContact C-N 3.33Å; I74-A76 PolarHBondContact O-N 3.25Å; I74-C77 PolarHBondContact O-N 3.24Å; I74-K78 WeakPolarHBondContact O-CB 3.48Å; I74-K78 PolarHBondContact O-N 3.29Å; I74-V85 HydrophobicContact CB-CG1 4.41Å; I74-V85 HydrophobicContact CG1-CG1 4.24Å; I74-V85 HydrophobicContact CG2-CG1 4.12Å; I74-A87 HydrophobicContact CD1-CB 4.2Å; I74-L116 HydrophobicContact CD1-CD2 3.67Å; I74-A119 HydrophobicContact CB-CB 4.17Å; I74-A119 HydrophobicContact CG2-CB 3.91Å; I74-A119 WeakPolarHBondContact CG2-O 3.44Å; I74-G120 VanDerWaalsContact CG2-C 3.43Å; I74-A121 HydrophobicContact CD1-CB 4.22Å; I74-A121 HydrophobicContact CG2-CB 4.14Å
75N98.7Very high98.2Very high77 Ų7742.9 Ų42.941%0.41222%0.22SC..Hα-helixtrans-61.1-42-178.8-177.262.7000111.8L71 I72 C77 K78 I79 A119L71-N75 WeakPolarHBondContact O-CB 3.01Å; L71-N75 PolarHBondContact O-N 2.88Å; I72-N75 PolarHBondContact O-N 3.43Å; N75-C77 PolarHBondContact O-N 2.86Å; N75-K78 PolarHBondContact O-N 2.75Å; N75-I79 WeakPolarHBondContact O-CG1 3.37Å; N75-I79 WeakPolarHBondContact O-CG2 3.47Å; N75-I79 PolarHBondContact O-N 3.06Å; N75-A119 WeakPolarHBondContact CA-O 3.41Å
76A98.5Very high98.3Very high24 Ų2440 Ų4020%0.19821%0.205CC..Hα-helixtrans-59.6-43.8176.200000112.1I44 I72 M73 I74 I79 A80I44-A76 HydrophobicContact CG1-CB 3.98Å; I72-A76 WeakPolarHBondContact O-CB 3.36Å; I72-A76 PolarHBondContact O-N 3.48Å; M73-A76 PolarHBondContact O-N 3.42Å; I74-A76 VanDerWaalsContact C-N 3.33Å; I74-A76 PolarHBondContact O-N 3.25Å; A76-I79 WeakPolarHBondContact O-CG1 3.35Å; A76-A80 WeakPolarHBondContact O-CB 3.45Å; A76-A80 PolarHBondContact O-N 2.63Å; A76-A80 VanDerWaalsContact O-N 3.13Å
77C98.5Very high98.4Very high0 Ų039.2 Ų39.20%020%0.201CC..Hα-helixtrans-68-38.8176.9-63.50000112V48 V53 M73 I74 N75 A80 S82 V85V48-C77 HydrophobicContact CG2-CB 4.38Å; V53-C77 HydrophobicContact CG1-CB 4.43Å; M73-C77 PolarHBondContact O-N 3.08Å; M73-C77 PolarHBondContact O-SG 2.89Å; I74-C77 PolarHBondContact O-N 3.24Å; N75-C77 PolarHBondContact O-N 2.86Å; C77-A80 PolarHBondContact O-N 3.14Å; C77-S82 VanDerWaalsContact C-OG 3.26Å; C77-S82 WeakPolarHBondContact O-CB 3.48Å; C77-S82 PolarHBondContact O-N 3.21Å; C77-S82 PolarHBondContact O-OG 3.39Å; C77-V85 HydrophobicContact CB-CG1 4.41Å; C77-V85 HydrophobicContact CB-CG2 3.73Å
78K98.1Very high98.4Very high86 Ų8638.5 Ų38.537%0.37420%0.197SC..Hα-helixtrans-64.4-50.1179.7-170.863.7167.2-167.50111.6I74 N75 A80 S81 D122I74-K78 WeakPolarHBondContact O-CB 3.48Å; I74-K78 PolarHBondContact O-N 3.29Å; N75-K78 PolarHBondContact O-N 2.75Å; K78-A80 VanDerWaalsContact C-N 3.27Å; K78-A80 PolarHBondContact O-N 2.67Å; K78-S81 PolarHBondContact O-N 2.92Å; K78-D122 IonicContact NZ-OD1 2.74Å; K78-D122 PolarHBondContact NZ-OD1 3.32Å; K78-D122 IonicContact NZ-OD2 3.42Å; K78-D122 PolarHBondContact NZ-OD2 2.87Å
79I97.7Very high98.4Very high123 Ų12334.2 Ų34.263%0.63118%0.175SC*.Hα-helixtrans-68.9-26.9179.869.5-178.5000112.4N75 A76 S81N75-I79 WeakPolarHBondContact O-CG1 3.37Å; N75-I79 WeakPolarHBondContact O-CG2 3.47Å; N75-I79 PolarHBondContact O-N 3.06Å; A76-I79 WeakPolarHBondContact O-CG1 3.35Å; I79-S81 PolarHBondContact O-N 3.1Å; I79-S81 VanDerWaalsContact O-N 3.12Å
80A97.9Very high98.4Very high37 Ų3733.8 Ų33.831%0.30617%0.174SC..THydrogen-bonded Turntrans-71.85171.200000113.6V48 A76 C77 K78V48-A80 HydrophobicContact CG2-CB 3.61Å; A76-A80 WeakPolarHBondContact O-CB 3.45Å; A76-A80 PolarHBondContact O-N 2.63Å; A76-A80 VanDerWaalsContact O-N 3.13Å; C77-A80 PolarHBondContact O-N 3.14Å; K78-A80 VanDerWaalsContact C-N 3.27Å; K78-A80 PolarHBondContact O-N 2.67Å
81S97.4Very high98.4Very high57 Ų5733.9 Ų33.940%0.39917%0.174SC..THydrogen-bonded Turntrans62.639.7177.5-43.10000113.2R49 G50 K78 I79R49-S81 WeakPolarHBondContact CA-O 3.28Å; R49-S81 VanDerWaalsContact NH1-CB 3.31Å; R49-S81 PolarHBondContact NH1-OG 3.48Å; R49-S81 VanDerWaalsContact NH1-OG 3.09Å; G50-S81 PolarHBondContact N-O 3.42Å; K78-S81 PolarHBondContact O-N 2.92Å; I79-S81 PolarHBondContact O-N 3.1Å; I79-S81 VanDerWaalsContact O-N 3.12Å
82S98Very high98.4Very high12 Ų1233.3 Ų33.38%0.08417%0.171CC..  trans-57150164.352.20000110.9V48 C77 V85V48-S82 WeakPolarHBondContact O-CA 3.46Å; V48-S82 WeakPolarHBondContact O-CB 3.36Å; C77-S82 VanDerWaalsContact C-OG 3.26Å; C77-S82 WeakPolarHBondContact O-CB 3.48Å; C77-S82 PolarHBondContact O-N 3.21Å; C77-S82 PolarHBondContact O-OG 3.39Å; S82-V85 WeakPolarHBondContact OG-CG2 3.37Å
83Y97.6Very high98.4Very high161 Ų16131.2 Ų31.263%0.63116%0.161SC*.SBendtrans-68.8-42.1178.6174.4-101.1000110.8P2 G50 E51P2-Y83 HydrophobicContact CB-CD1 4.24Å; P2-Y83 HydrophobicContact CB-CG 4.33Å; P2-Y83 HydrophobicContact CG-CD1 3.73Å; P2-Y83 HydrophobicContact CG-CE1 4.15Å; P2-Y83 HydrophobicContact CG-CG 4.27Å; G50-Y83 WeakPolarHBondContact O-CB 3.32Å; E51-Y83 WeakPolarHBondContact O-CB 3.43Å; E51-Y83 PolarHBondContact O-N 2.71Å
84R97.9Very high98.3Very high53 Ų5334.9 Ų34.920%0.218%0.175CC..EExtended strand (participates in β ladder)trans-152141.8178.4-176.4172.164.4177.61.1110.1E51 D52 V53 Y54 D122 T303E51-R84 PolarHBondContact O-N 2.89Å; D52-R84 WeakPolarHBondContact OD1-CB 3.08Å; D52-R84 IonicContact OD1-CZ 2.83Å; D52-R84 IonicContact OD1-NE 2.92Å; D52-R84 PolarHBondContact OD1-NE 3.47Å; D52-R84 IonicContact OD1-NH2 3.59Å; D52-R84 PolarHBondContact OD1-NH2 3.18Å; D52-R84 IonicContact OD2-CZ 2.78Å; D52-R84 IonicContact OD2-NE 3.39Å; D52-R84 IonicContact OD2-NH2 2.81Å; D52-R84 PolarHBondContact OD2-NH2 2.71Å; V53-R84 PolarHBondContact N-O 3.36Å; Y54-R84 PolarHBondContact OH-NH2 3.39Å; R84-D122 WeakPolarHBondContact CA-OD2 3.41Å; R84-D122 HydrophobicContact CG-CB 3.79Å; R84-T303 PolarHBondContact NH1-O 3.42Å; R84-T303 PolarHBondContact NH2-O 3.06Å
85V98.7Very high98.2Very high0 Ų035.5 Ų35.50%018%0.18CC..EExtended strand (participates in β ladder)trans-116.5112.1172.1-172.90000110.1L55 I74 C77 S82 D122 H123L55-V85 HydrophobicContact CD1-CG1 3.73Å; L55-V85 HydrophobicContact CG-CG1 4.23Å; I74-V85 HydrophobicContact CB-CG1 4.41Å; I74-V85 HydrophobicContact CG1-CG1 4.24Å; I74-V85 HydrophobicContact CG2-CG1 4.12Å; C77-V85 HydrophobicContact CB-CG1 4.41Å; C77-V85 HydrophobicContact CB-CG2 3.73Å; S82-V85 WeakPolarHBondContact OG-CG2 3.37Å; V85-D122 PolarHBondContact N-OD2 2.66Å; V85-D122 PolarHBondContact O-N 3.09Å; V85-H123 PolarHBondContact O-N 2.75Å
86T98.8Very high98Very high0 Ų038.6 Ų38.60%019%0.186CC..EExtended strand (participates in β ladder)trans-102.7120.1175-56.60000110V53 Y54 L55 V88 H123 I125V53-T86 PolarHBondContact O-N 3.2Å; Y54-T86 CarbonylContact C-O 3.58Å; Y54-T86 VanDerWaalsContact CA-O 3.31Å; Y54-T86 WeakPolarHBondContact CA-O 3.43Å; Y54-T86 HydrophobicContact CD1-CG2 3.64Å; Y54-T86 HydrophobicContact CE1-CG2 3.68Å; L55-T86 PolarHBondContact N-O 3.34Å; T86-V88 HydrophobicContact CG2-CG2 4.41Å; T86-H123 CarbonylContact C-O 3.56Å; T86-H123 VanDerWaalsContact CA-O 3.27Å; T86-H123 WeakPolarHBondContact CA-O 3.45Å; T86-H123 HydrophobicContact CG2-CB 4.02Å; T86-I125 HydrophobicContact CG2-CD1 3.84Å; T86-I125 HydrophobicContact CG2-CG1 3.81Å
87A98.9Very high97.8Very high0 Ų041.3 Ų41.30%019%0.194CC..EExtended strand (participates in β ladder)trans-87.6118.3172.100000109.7L70 I74 I89 H123 I124 I125L70-A87 HydrophobicContact CD1-CB 4.39Å; I74-A87 HydrophobicContact CD1-CB 4.2Å; A87-I89 HydrophobicContact CB-CD1 4.06Å; A87-I89 HydrophobicContact CB-CG1 4.07Å; A87-H123 PolarHBondContact N-O 3.35Å; A87-I124 HydrophobicContact CB-CD1 3.82Å; A87-I124 CarbonylContact O-C 3.55Å; A87-I124 WeakPolarHBondContact O-CA 3.42Å; A87-I125 PolarHBondContact O-N 2.98Å
88V98.9Very high97.7Very high0 Ų042.4 Ų42.40%020%0.201CC..EExtended strand (participates in β ladder)trans-97.8106.8175.6-174.50000107.6Y54 L55 I56 Q57 T86 P90 I125 L296 I300Y54-V88 HydrophobicContact CD1-CG2 3.94Å; L55-V88 PolarHBondContact O-N 3.47Å; I56-V88 WeakPolarHBondContact CA-O 3.27Å; I56-V88 HydrophobicContact CG1-CB 4.05Å; I56-V88 HydrophobicContact CG1-CG1 4.39Å; I56-V88 HydrophobicContact CG1-CG2 4.46Å; Q57-V88 PolarHBondContact N-O 3.31Å; T86-V88 HydrophobicContact CG2-CG2 4.41Å; V88-P90 WeakPolarHBondContact O-CD 3.3Å; V88-I125 CarbonylContact C-O 3.56Å; V88-I125 WeakPolarHBondContact CA-O 3.41Å; V88-I125 HydrophobicContact CG1-CB 4.39Å; V88-I125 HydrophobicContact CG1-CG2 4.38Å; V88-I125 HydrophobicContact CG2-CB 4.32Å; V88-I125 HydrophobicContact CG2-CD1 4.31Å; V88-L296 HydrophobicContact CG1-CD2 4.08Å; V88-I300 HydrophobicContact CG2-CD1 4.04Å; V88-I300 HydrophobicContact CG2-CG1 4.1Å
89I98.8Very high97.5Very high3 Ų345 Ų452%0.01521%0.212CC..EExtended strand (participates in β ladder)trans-121.480.6-171.6-46175.6000109.6Q57 L70 A87 C91 Y92 L116 I124 I125 T126Q57-I89 VanDerWaalsContact O-CA 3.31Å; Q57-I89 WeakPolarHBondContact O-CA 3.31Å; Q57-I89 WeakPolarHBondContact O-CG2 3.29Å; L70-I89 HydrophobicContact CD2-CD1 3.75Å; L70-I89 HydrophobicContact CD2-CG1 3.94Å; A87-I89 HydrophobicContact CB-CD1 4.06Å; A87-I89 HydrophobicContact CB-CG1 4.07Å; I89-C91 VanDerWaalsContact C-N 3.33Å; I89-C91 PolarHBondContact O-N 2.95Å; I89-Y92 HydrophobicContact CD1-CD2 4.39Å; I89-Y92 HydrophobicContact CG2-CD2 4.25Å; I89-L116 HydrophobicContact CD1-CD1 3.6Å; I89-L116 HydrophobicContact CD1-CD2 4.19Å; I89-I124 HydrophobicContact CD1-CG2 4.24Å; I89-I125 PolarHBondContact N-O 3.49Å; I89-T126 HydrophobicContact CB-CG2 4.38Å; I89-T126 WeakPolarHBondContact O-CA 3.43Å
90P98.6Very high97.2Very high0 Ų045.2 Ų45.20%021%0.208CC..SBendtrans-54.9-43.1-175.1-27.735.2000113.6L15 V88 M127 H250 T274 L296L15-P90 HydrophobicContact CD2-CB 4.2Å; L15-P90 HydrophobicContact CD2-CG 3.66Å; V88-P90 WeakPolarHBondContact O-CD 3.3Å; P90-M127 WeakPolarHBondContact O-CB 3.49Å; P90-M127 PolarHBondContact O-N 3Å; P90-H250 PolarHBondContact O-CE1 3.35Å; P90-T274 HydrophobicContact CB-CG2 3.88Å; P90-L296 HydrophobicContact CB-CD1 4.29Å; P90-L296 HydrophobicContact CG-CD1 3.94Å
91C98.5Very high96.6Very high5 Ų549.3 Ų49.33%0.03423%0.225CC..SBendtrans-114.2111.3169.7178.10000109.4S58 G59 I89 I275S58-C91 WeakPolarHBondContact OG-CB 3.48Å; S58-C91 PolarHBondContact OG-N 3.38Å; G59-C91 VanDerWaalsContact CA-O 3.25Å; G59-C91 WeakPolarHBondContact CA-O 3.39Å; G59-C91 PolarHBondContact N-O 2.75Å; I89-C91 VanDerWaalsContact C-N 3.33Å; I89-C91 PolarHBondContact O-N 2.95Å; C91-I275 HydrophobicContact CB-CD1 4.14Å; C91-I275 HydrophobicContact CB-CG1 3.94Å
92Y98.6Very high96.1Very high9 Ų953.5 Ų53.54%0.03524%0.236CC..  trans-73.9122.7-177.6-172.3-104.9000111.8I89 A95 A109 V112 A113 L116 T126 L129 I134 F138I89-Y92 HydrophobicContact CD1-CD2 4.39Å; I89-Y92 HydrophobicContact CG2-CD2 4.25Å; Y92-A95 HydrophobicContact CD1-CB 3.98Å; Y92-A95 WeakPolarHBondContact O-CB 3.42Å; Y92-A109 HydrophobicContact CE1-CB 4.23Å; Y92-A109 PolarHBondContact OH-O 3.38Å; Y92-V112 HydrophobicContact CE1-CG1 4.41Å; Y92-V112 HydrophobicContact CE2-CG1 3.89Å; Y92-V112 WeakPolarHBondContact OH-CB 3.26Å; Y92-V112 VanDerWaalsContact OH-CG1 3.3Å; Y92-V112 WeakPolarHBondContact OH-CG1 3.45Å; Y92-A113 WeakPolarHBondContact OH-CA 3.44Å; Y92-A113 PolarHBondContact OH-N 3.43Å; Y92-L116 HydrophobicContact CE2-CD1 3.86Å; Y92-T126 HydrophobicContact CD2-CG2 4.39Å; Y92-L129 HydrophobicContact CD1-CD2 4.01Å; Y92-L129 HydrophobicContact CG-CD2 3.8Å; Y92-I134 HydrophobicContact CD1-CG2 4.28Å; Y92-I134 HydrophobicContact CE1-CG2 3.97Å; Y92-F138 HydrophobicContact CE2-CE2 4.33Å; Y92-F138 AromaticContact CE2-CZ 3.69Å; Y92-F138 HydrophobicContact CE2-CZ 3.69Å; Y92-F138 AromaticContact CZ-CZ 3.84Å; Y92-F138 WeakPolarHBondContact OH-CZ 3.3Å
93P98.1Very high95.8Very high8 Ų858 Ų585%0.05227%0.267CS..THydrogen-bonded Turntrans-70.8150.5-177.631.3-35.6000110.7V63 L67 A95 V112V63-P93 HydrophobicContact CG1-CB 3.65Å; L67-P93 HydrophobicContact CD1-CG 4.42Å; P93-A95 PolarHBondContact O-N 3.41Å; P93-A95 VanDerWaalsContact O-N 3.09Å; P93-V112 HydrophobicContact CG-CG1 4.2Å
94Y97.6Very high95.6Very high78 Ų7861.4 Ų61.431%0.30628%0.279SS..THydrogen-bonded Turntrans61.212.3-179.1-60.7-88000115.6V63 N64 L67 R96 Q97 V112V63-Y94 HydrophobicContact CG1-CE2 4.14Å; N64-Y94 PolarHBondContact ND2-OH 2.97Å; N64-Y94 PolarHBondContact OD1-OH 3.46Å; L67-Y94 HydrophobicContact CD2-CE2 4.32Å; Y94-R96 PolarHBondContact O-N 3.1Å; Y94-R96 VanDerWaalsContact O-N 3.1Å; Y94-Q97 PolarHBondContact O-N 3.05Å; Y94-V112 HydrophobicContact CD2-CG2 3.73Å; Y94-V112 HydrophobicContact CG-CG2 4.19Å
95A96.6Very high95.3Very high13 Ų1359.5 Ų59.511%0.10728%0.275CS..THydrogen-bonded Turntrans-55.9-31.8-17600000114.4Y92 P93 Q97 H130 I134Y92-A95 HydrophobicContact CD1-CB 3.98Å; Y92-A95 WeakPolarHBondContact O-CB 3.42Å; P93-A95 PolarHBondContact O-N 3.41Å; P93-A95 VanDerWaalsContact O-N 3.09Å; A95-Q97 PolarHBondContact O-N 3.38Å; A95-H130 HydrophobicContact CB-CB 3.73Å; A95-I134 HydrophobicContact CB-CD1 4.05Å; A95-I134 WeakPolarHBondContact O-CD1 3.49Å
96R93.8Very high95.2Very high142 Ų14263.5 Ų63.554%0.53630%0.301SS..THydrogen-bonded Turntrans-72.7-3.2177.1-70.1-179.265-167.38114.8Y94 M222 D224Y94-R96 PolarHBondContact O-N 3.1Å; Y94-R96 VanDerWaalsContact O-N 3.1Å; R96-M222 HydrophobicContact CG-CE 3.77Å; R96-D224 IonicContact NH1-OD2 3.76Å
97Q95.9Very high95.1Very high80 Ų8066.5 Ų66.537%0.37432%0.316SS..  trans-108.946.2175.9-58.8-178.841.600109.8Y94 A95 I107 S108 A109Y94-Q97 PolarHBondContact O-N 3.05Å; A95-Q97 PolarHBondContact O-N 3.38Å; Q97-I107 CarbonylContact O-C 3.58Å; Q97-I107 WeakPolarHBondContact O-CA 3.41Å; Q97-S108 PolarHBondContact O-N 2.77Å; Q97-S108 VanDerWaalsContact OE1-CB 3.23Å; Q97-S108 PolarHBondContact OE1-OG 2.92Å; Q97-A109 PolarHBondContact O-N 3.3Å
98D95Very high95.1Very high24 Ų2467.3 Ų67.313%0.12832%0.322CS..SBendtrans-81.8-14.1-17965.4-58.5000113.6I107 H130 A131 I134 F137D98-I107 WeakPolarHBondContact O-CG2 3.4Å; D98-H130 IonicContact OD1-CD2 3.42Å; D98-A131 HydrophobicContact CB-CB 4.27Å; D98-A131 WeakPolarHBondContact OD2-CB 3.42Å; D98-I134 HydrophobicContact CB-CD1 4.03Å; D98-I134 HydrophobicContact CB-CG1 3.85Å; D98-F137 HydrophobicContact CB-CE2 4.27Å; D98-F137 HydrophobicContact CB-CZ 4.49Å; D98-F137 VanDerWaalsContact O-CZ 3.28Å; D98-F137 WeakPolarHBondContact O-CZ 3.34Å
99K94Very high95Very high139 Ų13967.3 Ų67.360%0.60432%0.322SS*.SBendtrans-146.7164.5-179.966.8-169.8176.5-167.20112D101K99-D101 PolarHBondContact O-N 2.76Å
100K92.5Very high95Very high128 Ų12870 Ų7056%0.55733%0.333SS*.  trans-78.4103.8171.7-60.7-179.370.11730109.2A105 I107K100-A105 WeakPolarHBondContact CE-O 3.48Å; K100-I107 HydrophobicContact CG-CD1 4.16Å; K100-I107 HydrophobicContact CG-CG1 3.87Å
101D83.6Confident95Very high124 Ų12474.8 Ų74.866%0.66336%0.358SS*.SBendtrans-76.7-27174.866.7-33.4000112.6K99 A105K99-D101 PolarHBondContact O-N 2.76Å; D101-A105 VanDerWaalsContact OD1-CB 3.32Å; D101-A105 WeakPolarHBondContact OD1-CB 3.4Å
102K88.7Confident95Very high144 Ų14474.7 Ų74.763%0.62636%0.358SS*.SBendtrans-141.9166.1176.963.3-168.2171.4-1710112.1R104 A105K102-R104 PolarHBondContact O-N 2.77Å; K102-A105 HydrophobicContact CG-CB 3.88Å; K102-A105 WeakPolarHBondContact O-CB 3.31Å; K102-A105 PolarHBondContact O-N 2.76Å
103S91.8Very high95Very high107 Ų10774.2 Ų74.275%0.74836%0.356SS*.THydrogen-bonded Turntrans-55.9136.2173.8-170.50000110.4A105S103-A105 PolarHBondContact O-N 2.92Å
104R91.9Very high95Very high233 Ų23376.7 Ų76.788%0.87937%0.369SS*.THydrogen-bonded Turntrans6410-179.6-49.1178.1-176.4-168.4-0.5116.2K102K102-R104 PolarHBondContact O-N 2.77Å
105A93.2Very high95.1Very high13 Ų1376 Ų7611%0.10737%0.369CS..  trans-68.4145.3168.900000111.5K100 D101 K102 S103K100-A105 WeakPolarHBondContact CE-O 3.48Å; D101-A105 VanDerWaalsContact OD1-CB 3.32Å; D101-A105 WeakPolarHBondContact OD1-CB 3.4Å; K102-A105 HydrophobicContact CG-CB 3.88Å; K102-A105 WeakPolarHBondContact O-CB 3.31Å; K102-A105 PolarHBondContact O-N 2.76Å; S103-A105 PolarHBondContact O-N 2.92Å
106P95.4Very high95.2Very high84 Ų8475.3 Ų75.355%0.54536%0.364SS..  trans-77.3167.7170.934.4-35.8000111.5
107I96.9Very high95.4Very high63 Ų6369.7 Ų69.732%0.32335%0.346SS..  trans-110.479.1165.9-55.9174.1000106.7Q97 D98 K100 A109 K110 L111 F137Q97-I107 CarbonylContact O-C 3.58Å; Q97-I107 WeakPolarHBondContact O-CA 3.41Å; D98-I107 WeakPolarHBondContact O-CG2 3.4Å; K100-I107 HydrophobicContact CG-CD1 4.16Å; K100-I107 HydrophobicContact CG-CG1 3.87Å; I107-A109 PolarHBondContact O-N 3.35Å; I107-K110 HydrophobicContact CB-CB 4.26Å; I107-K110 HydrophobicContact CG2-CB 3.72Å; I107-K110 PolarHBondContact O-N 2.84Å; I107-K110 VanDerWaalsContact O-N 3.07Å; I107-L111 PolarHBondContact O-N 3.17Å; I107-L111 VanDerWaalsContact O-N 3.17Å; I107-F137 HydrophobicContact CG2-CE2 4.08Å; I107-F137 HydrophobicContact CG2-CZ 4.14Å
108S97.9Very high95.5Very high17 Ų1772 Ų7212%0.11937%0.365CS..Hα-helixtrans-64.3-30.2-172.2-54.60000112.4Q97 K110 L111 V112Q97-S108 PolarHBondContact O-N 2.77Å; Q97-S108 VanDerWaalsContact OE1-CB 3.23Å; Q97-S108 PolarHBondContact OE1-OG 2.92Å; S108-K110 VanDerWaalsContact C-N 3.27Å; S108-K110 PolarHBondContact O-N 2.87Å; S108-L111 WeakPolarHBondContact O-CB 3.29Å; S108-L111 PolarHBondContact O-N 3.18Å; S108-L111 VanDerWaalsContact O-N 3.15Å; S108-V112 WeakPolarHBondContact O-CG2 3.39Å; S108-V112 PolarHBondContact O-N 3.22Å
109A98.2Very high95.7Very high0 Ų071.5 Ų71.50%037%0.365CS..Hα-helixtrans-59.7-37173.700000112.4Y92 Q97 I107 A113 F137Y92-A109 HydrophobicContact CE1-CB 4.23Å; Y92-A109 PolarHBondContact OH-O 3.38Å; Q97-A109 PolarHBondContact O-N 3.3Å; I107-A109 PolarHBondContact O-N 3.35Å; A109-A113 PolarHBondContact O-N 2.93Å; A109-A113 VanDerWaalsContact O-N 3.11Å; A109-F137 HydrophobicContact CB-CD2 4.18Å; A109-F137 HydrophobicContact CB-CE2 3.96Å
110K98.2Very high95.9Very high58 Ų5865.4 Ų65.425%0.25234%0.341SS..Hα-helixtrans-73.1-37.3174.6175.961.5178.1172.10111.6I107 S108 V112 A113 N114 F137I107-K110 HydrophobicContact CB-CB 4.26Å; I107-K110 HydrophobicContact CG2-CB 3.72Å; I107-K110 PolarHBondContact O-N 2.84Å; I107-K110 VanDerWaalsContact O-N 3.07Å; S108-K110 VanDerWaalsContact C-N 3.27Å; S108-K110 PolarHBondContact O-N 2.87Å; K110-V112 VanDerWaalsContact C-N 3.34Å; K110-A113 PolarHBondContact O-N 3.06Å; K110-N114 WeakPolarHBondContact CE-OD1 3.27Å; K110-N114 PolarHBondContact NZ-OD1 2.89Å; K110-N114 VanDerWaalsContact O-CG 3.25Å; K110-N114 PolarHBondContact O-N 3.08Å; K110-N114 PolarHBondContact O-OD1 3.34Å; K110-F137 HydrophobicContact CB-CB 4.36Å; K110-F137 HydrophobicContact CB-CD1 4.44Å; K110-F137 HydrophobicContact CB-CD2 3.86Å; K110-F137 HydrophobicContact CB-CE2 4.28Å; K110-F137 HydrophobicContact CB-CG 3.97Å; K110-F137 HydrophobicContact CD-CB 3.52Å; K110-F137 HydrophobicContact CD-CD1 4.12Å; K110-F137 HydrophobicContact CD-CG 3.83Å; K110-F137 WeakPolarHBondContact CD-O 3.39Å; K110-F137 HydrophobicContact CG-CG 4.43Å; K110-F137 PolarHBondContact NZ-O 2.97Å
111L98.6Very high96.2Very high101 Ų10159.5 Ų59.553%0.52932%0.316SS..Hα-helixtrans-58.9-47.5173.3175.661.4000110.9I107 S108 A113 N114 M115I107-L111 PolarHBondContact O-N 3.17Å; I107-L111 VanDerWaalsContact O-N 3.17Å; S108-L111 WeakPolarHBondContact O-CB 3.29Å; S108-L111 PolarHBondContact O-N 3.18Å; S108-L111 VanDerWaalsContact O-N 3.15Å; L111-A113 VanDerWaalsContact C-N 3.32Å; L111-A113 PolarHBondContact O-N 3.32Å; L111-N114 PolarHBondContact O-N 2.88Å; L111-M115 HydrophobicContact CD1-CG 4.32Å; L111-M115 HydrophobicContact CG-CE 4.2Å; L111-M115 HydrophobicContact CG-SD 4.46Å; L111-M115 WeakPolarHBondContact O-CG 3.43Å; L111-M115 PolarHBondContact O-N 3.05Å
112V98.7Very high96.9Very high3 Ų355.9 Ų55.92%0.01830%0.297CS..Hα-helixtrans-59.5-43.5175.9175.80000111.2L67 Y92 P93 Y94 S108 K110 N114 M115 L116L67-V112 HydrophobicContact CD1-CG1 3.99Å; L67-V112 HydrophobicContact CD2-CG1 4.37Å; L67-V112 HydrophobicContact CD2-CG2 3.97Å; Y92-V112 HydrophobicContact CE1-CG1 4.41Å; Y92-V112 HydrophobicContact CE2-CG1 3.89Å; Y92-V112 WeakPolarHBondContact OH-CB 3.26Å; Y92-V112 VanDerWaalsContact OH-CG1 3.3Å; Y92-V112 WeakPolarHBondContact OH-CG1 3.45Å; P93-V112 HydrophobicContact CG-CG1 4.2Å; Y94-V112 HydrophobicContact CD2-CG2 3.73Å; Y94-V112 HydrophobicContact CG-CG2 4.19Å; S108-V112 WeakPolarHBondContact O-CG2 3.39Å; S108-V112 PolarHBondContact O-N 3.22Å; K110-V112 VanDerWaalsContact C-N 3.34Å; V112-N114 VanDerWaalsContact C-N 3.33Å; V112-N114 PolarHBondContact O-N 3.29Å; V112-M115 HydrophobicContact CB-CE 4.5Å; V112-M115 HydrophobicContact CG2-CE 4.13Å; V112-M115 PolarHBondContact O-N 2.77Å; V112-L116 HydrophobicContact CG1-CD1 3.94Å; V112-L116 HydrophobicContact CG1-CG 4.4Å; V112-L116 WeakPolarHBondContact O-CG 3.41Å; V112-L116 PolarHBondContact O-N 3.14Å
113A98.8Very high97.4Very high0 Ų049.9 Ų49.90%027%0.271CS..Hα-helixtrans-61.3-43.2179.300000112Y92 A109 K110 L111 L116 S117 F137 F138Y92-A113 WeakPolarHBondContact OH-CA 3.44Å; Y92-A113 PolarHBondContact OH-N 3.43Å; A109-A113 PolarHBondContact O-N 2.93Å; A109-A113 VanDerWaalsContact O-N 3.11Å; K110-A113 PolarHBondContact O-N 3.06Å; L111-A113 VanDerWaalsContact C-N 3.32Å; L111-A113 PolarHBondContact O-N 3.32Å; A113-L116 PolarHBondContact O-N 3.46Å; A113-S117 WeakPolarHBondContact O-CB 3.13Å; A113-S117 PolarHBondContact O-N 3.09Å; A113-S117 PolarHBondContact O-OG 3.1Å; A113-F137 HydrophobicContact CB-CB 3.79Å; A113-F138 VanDerWaalsContact CA-CE1 3.42Å; A113-F138 HydrophobicContact CB-CD1 3.83Å; A113-F138 HydrophobicContact CB-CD2 3.91Å; A113-F138 HydrophobicContact CB-CE1 3.55Å; A113-F138 HydrophobicContact CB-CE2 3.65Å; A113-F138 HydrophobicContact CB-CG 4.01Å; A113-F138 HydrophobicContact CB-CZ 3.46Å; A113-F138 VanDerWaalsContact CB-CZ 3.46Å
114N98.7Very high97.7Very high60 Ų6044.8 Ų44.832%0.32124%0.235SC..Hα-helixtrans-63.6-43.7175.3-69-4.5000111.3K110 L111 V112 S117 V118K110-N114 WeakPolarHBondContact CE-OD1 3.27Å; K110-N114 PolarHBondContact NZ-OD1 2.89Å; K110-N114 VanDerWaalsContact O-CG 3.25Å; K110-N114 PolarHBondContact O-N 3.08Å; K110-N114 PolarHBondContact O-OD1 3.34Å; L111-N114 PolarHBondContact O-N 2.88Å; V112-N114 VanDerWaalsContact C-N 3.33Å; V112-N114 PolarHBondContact O-N 3.29Å; N114-S117 PolarHBondContact O-N 3.37Å; N114-V118 WeakPolarHBondContact O-CB 3.26Å; N114-V118 WeakPolarHBondContact O-CG2 3.33Å; N114-V118 PolarHBondContact O-N 3.33Å
115M98.8Very high98Very high62 Ų6233.7 Ų33.731%0.30519%0.193SC..Hα-helixtrans-62.3-44.3178.7-71-171.3-59.500111.9L67 L71 L111 V112 S117 V118 A119L67-M115 HydrophobicContact CD2-CE 3.93Å; L71-M115 HydrophobicContact CD1-CB 4.16Å; L71-M115 HydrophobicContact CD1-SD 4.33Å; L71-M115 VanDerWaalsContact CD2-C 3.48Å; L71-M115 HydrophobicContact CD2-CB 3.87Å; L71-M115 WeakPolarHBondContact CD2-O 2.93Å; L111-M115 HydrophobicContact CD1-CG 4.32Å; L111-M115 HydrophobicContact CG-CE 4.2Å; L111-M115 HydrophobicContact CG-SD 4.46Å; L111-M115 WeakPolarHBondContact O-CG 3.43Å; L111-M115 PolarHBondContact O-N 3.05Å; V112-M115 HydrophobicContact CB-CE 4.5Å; V112-M115 HydrophobicContact CG2-CE 4.13Å; V112-M115 PolarHBondContact O-N 2.77Å; M115-S117 PolarHBondContact O-N 2.73Å; M115-V118 PolarHBondContact O-N 3.47Å; M115-A119 VanDerWaalsContact O-CB 3.31Å; M115-A119 WeakPolarHBondContact O-CB 3.27Å; M115-A119 PolarHBondContact O-N 2.85Å
116L98.8Very high98.3Very high0 Ų033.1 Ų33.10%019%0.188CC..Hα-helixtrans-61.8-43.7177-70.1166.8000111.8L70 L71 I74 I89 Y92 V112 A113 A119 G120 A121 I124 F138L70-L116 HydrophobicContact CD2-CD2 3.68Å; L70-L116 HydrophobicContact CG-CD2 4.13Å; L71-L116 HydrophobicContact CD2-CD2 3.99Å; L71-L116 HydrophobicContact CD2-CG 4.36Å; I74-L116 HydrophobicContact CD1-CD2 3.67Å; I89-L116 HydrophobicContact CD1-CD1 3.6Å; I89-L116 HydrophobicContact CD1-CD2 4.19Å; Y92-L116 HydrophobicContact CE2-CD1 3.86Å; V112-L116 HydrophobicContact CG1-CD1 3.94Å; V112-L116 HydrophobicContact CG1-CG 4.4Å; V112-L116 WeakPolarHBondContact O-CG 3.41Å; V112-L116 PolarHBondContact O-N 3.14Å; A113-L116 PolarHBondContact O-N 3.46Å; L116-A119 PolarHBondContact O-N 3.29Å; L116-G120 PolarHBondContact O-N 3.5Å; L116-A121 WeakPolarHBondContact O-CB 3.4Å; L116-A121 PolarHBondContact O-N 2.92Å; L116-I124 HydrophobicContact CB-CD1 4.33Å; L116-I124 HydrophobicContact CD1-CD1 4.37Å; L116-F138 HydrophobicContact CB-CE1 4.28Å; L116-F138 HydrophobicContact CD1-CE1 4.01Å; L116-F138 HydrophobicContact CD1-CZ 4.18Å
117S98.3Very high98.4Very high24 Ų2429.1 Ų29.117%0.16816%0.162CC..Hα-helixtrans-65-44.8177.8-52.80000111.3A113 N114 M115 G120A113-S117 WeakPolarHBondContact O-CB 3.13Å; A113-S117 PolarHBondContact O-N 3.09Å; A113-S117 PolarHBondContact O-OG 3.1Å; N114-S117 PolarHBondContact O-N 3.37Å; M115-S117 PolarHBondContact O-N 2.73Å; S117-G120 PolarHBondContact O-N 3.34Å; S117-G120 VanDerWaalsContact O-N 3.11Å
118V98.5Very high98.4Very high128 Ų12826.7 Ų26.778%0.77615%0.15SC*.Hα-helixtrans-67.7-35178.8169.90000112.1N114 M115 G120N114-V118 WeakPolarHBondContact O-CB 3.26Å; N114-V118 WeakPolarHBondContact O-CG2 3.33Å; N114-V118 PolarHBondContact O-N 3.33Å; M115-V118 PolarHBondContact O-N 3.47Å; V118-G120 PolarHBondContact O-N 3.07Å
119A98.6Very high98.4Very high14 Ų1426.5 Ų26.512%0.11615%0.148CC..Hα-helixtrans-62.4-19.6173.900000112.5L71 I74 N75 M115 L116L71-A119 HydrophobicContact CB-CB 4.41Å; L71-A119 HydrophobicContact CD2-CB 3.75Å; I74-A119 HydrophobicContact CB-CB 4.17Å; I74-A119 HydrophobicContact CG2-CB 3.91Å; I74-A119 WeakPolarHBondContact CG2-O 3.44Å; N75-A119 WeakPolarHBondContact CA-O 3.41Å; M115-A119 VanDerWaalsContact O-CB 3.31Å; M115-A119 WeakPolarHBondContact O-CB 3.27Å; M115-A119 PolarHBondContact O-N 2.85Å; L116-A119 PolarHBondContact O-N 3.29Å
120G98.3Very high98.2Very high11 Ų1129.5 Ų29.511%0.11316%0.162CC..THydrogen-bonded Turntrans109.320.5174.300000114.6I74 L116 S117 V118I74-G120 VanDerWaalsContact CG2-C 3.43Å; L116-G120 PolarHBondContact O-N 3.5Å; S117-G120 PolarHBondContact O-N 3.34Å; S117-G120 VanDerWaalsContact O-N 3.11Å; V118-G120 PolarHBondContact O-N 3.07Å
121A98.8Very high98Very high3 Ų327.3 Ų27.33%0.02515%0.154CC..  trans-64.8134.6169.600000109.2I74 L116 I124 I140I74-A121 HydrophobicContact CD1-CB 4.22Å; I74-A121 HydrophobicContact CG2-CB 4.14Å; L116-A121 WeakPolarHBondContact O-CB 3.4Å; L116-A121 PolarHBondContact O-N 2.92Å; A121-I124 HydrophobicContact CB-CD1 3.95Å; A121-I140 HydrophobicContact CB-CD1 3.92Å; A121-I140 WeakPolarHBondContact O-CD1 3.44Å
122D98.6Very high97.7Very high48 Ų4825.6 Ų25.626%0.25715%0.151SC..SBendtrans-100.2-18.6178.5-59.1-64.4000111.4K78 R84 V85 P141K78-D122 IonicContact NZ-OD1 2.74Å; K78-D122 PolarHBondContact NZ-OD1 3.32Å; K78-D122 IonicContact NZ-OD2 3.42Å; K78-D122 PolarHBondContact NZ-OD2 2.87Å; R84-D122 WeakPolarHBondContact CA-OD2 3.41Å; R84-D122 HydrophobicContact CG-CB 3.79Å; V85-D122 PolarHBondContact N-OD2 2.66Å; V85-D122 PolarHBondContact O-N 3.09Å; D122-P141 WeakPolarHBondContact O-CD 3.37Å
123H98.7Very high97.6Very high19 Ų1931.2 Ų31.29%0.08818%0.177CC..EExtended strand (participates in β ladder)trans-154.5146.5178.3-156.8149.5000109.9V85 T86 A87 P141 D143V85-H123 PolarHBondContact O-N 2.75Å; T86-H123 CarbonylContact C-O 3.56Å; T86-H123 VanDerWaalsContact CA-O 3.27Å; T86-H123 WeakPolarHBondContact CA-O 3.45Å; T86-H123 HydrophobicContact CG2-CB 4.02Å; A87-H123 PolarHBondContact N-O 3.35Å; H123-P141 PolarHBondContact CD2-O 2.75Å; H123-D143 IonicContact CE1-OD2 3.48Å; H123-D143 PolarHBondContact CE1-OD2 3.16Å; H123-D143 VanDerWaalsContact NE2-CG 3.33Å; H123-D143 IonicContact NE2-OD1 3.64Å; H123-D143 IonicContact NE2-OD2 3.79Å; H123-D143 PolarHBondContact NE2-OD2 2.9Å; H123-D143 VanDerWaalsContact NE2-OD2 3.17Å
124I98.7Very high97.5Very high0 Ų031.2 Ų31.20%018%0.177CC..EExtended strand (participates in β ladder)trans-115.6134.4170.2-50-62.6000111.1A87 I89 L116 A121 T126 F138 I140 P141 V142 D143A87-I124 HydrophobicContact CB-CD1 3.82Å; A87-I124 CarbonylContact O-C 3.55Å; A87-I124 WeakPolarHBondContact O-CA 3.42Å; I89-I124 HydrophobicContact CD1-CG2 4.24Å; L116-I124 HydrophobicContact CB-CD1 4.33Å; L116-I124 HydrophobicContact CD1-CD1 4.37Å; A121-I124 HydrophobicContact CB-CD1 3.95Å; I124-T126 HydrophobicContact CG2-CG2 3.58Å; I124-F138 HydrophobicContact CD1-CD1 4.44Å; I124-F138 HydrophobicContact CD1-CE1 4Å; I124-F138 HydrophobicContact CG1-CD1 3.72Å; I124-F138 HydrophobicContact CG1-CE1 3.56Å; I124-F138 HydrophobicContact CG1-CG 4.44Å; I124-F138 HydrophobicContact CG1-CZ 4.15Å; I124-I140 HydrophobicContact CD1-CD1 4.01Å; I124-I140 HydrophobicContact CG1-CD1 3.87Å; I124-I140 HydrophobicContact CG1-CG1 4.36Å; I124-P141 PolarHBondContact N-O 3.36Å; I124-V142 HydrophobicContact CB-CG1 4.23Å; I124-V142 HydrophobicContact CB-CG2 4.21Å; I124-V142 HydrophobicContact CG1-CG2 4.45Å; I124-V142 HydrophobicContact CG2-CG1 4.42Å; I124-V142 CarbonylContact O-C 3.46Å; I124-V142 VanDerWaalsContact O-CA 3.32Å; I124-V142 WeakPolarHBondContact O-CA 3.43Å; I124-D143 PolarHBondContact O-N 2.78Å
125I98.7Very high97.5Very high0 Ų031.6 Ų31.60%018%0.177CC..EExtended strand (participates in β ladder)trans-113124.8166.1-60.9177.2000107.8Y54 T86 A87 V88 I89 D143 L145 L296 I300Y54-I125 HydrophobicContact CD1-CD1 4.45Å; Y54-I125 HydrophobicContact CE1-CD1 4.13Å; T86-I125 HydrophobicContact CG2-CD1 3.84Å; T86-I125 HydrophobicContact CG2-CG1 3.81Å; A87-I125 PolarHBondContact O-N 2.98Å; V88-I125 CarbonylContact C-O 3.56Å; V88-I125 WeakPolarHBondContact CA-O 3.41Å; V88-I125 HydrophobicContact CG1-CB 4.39Å; V88-I125 HydrophobicContact CG1-CG2 4.38Å; V88-I125 HydrophobicContact CG2-CB 4.32Å; V88-I125 HydrophobicContact CG2-CD1 4.31Å; I89-I125 PolarHBondContact N-O 3.49Å; I125-D143 WeakPolarHBondContact CA-O 3.27Å; I125-D143 HydrophobicContact CG1-CB 4.24Å; I125-L145 HydrophobicContact CG2-CD1 3.77Å; I125-L145 HydrophobicContact CG2-CG 4.11Å; I125-L296 HydrophobicContact CG2-CD2 4.45Å; I125-I300 HydrophobicContact CD1-CG1 4.23Å
126T98.5Very high97.4Very high0 Ų031.7 Ų31.70%019%0.193CC..EExtended strand (participates in β ladder)trans-125.8174.317664.40000111.3I89 Y92 I124 L129 D143 N144 L145I89-T126 HydrophobicContact CB-CG2 4.38Å; I89-T126 WeakPolarHBondContact O-CA 3.43Å; Y92-T126 HydrophobicContact CD2-CG2 4.39Å; I124-T126 HydrophobicContact CG2-CG2 3.58Å; T126-L129 HydrophobicContact CG2-CD2 4.28Å; T126-L129 WeakPolarHBondContact OG1-CG 3.47Å; T126-D143 PolarHBondContact N-O 3.36Å; T126-N144 PolarHBondContact OG1-OD1 3.15Å; T126-L145 WeakPolarHBondContact O-CB 3.42Å; T126-L145 WeakPolarHBondContact O-CG 3.43Å; T126-L145 PolarHBondContact O-N 3.13Å
127M98.1Very high97.4Very high0 Ų033.4 Ų33.40%020%0.201CC..EExtended strand (participates in β ladder)trans-128.2135.1168.1-171.3165.1-74.300109.4P90 L129 L145 A147 V249 H250 T274 V292 I295 L296P90-M127 WeakPolarHBondContact O-CB 3.49Å; P90-M127 PolarHBondContact O-N 3Å; M127-L129 PolarHBondContact O-N 3.31Å; M127-L145 CarbonylContact C-O 3.51Å; M127-L145 WeakPolarHBondContact CA-O 3.24Å; M127-L145 HydrophobicContact CE-CB 4.1Å; M127-L145 HydrophobicContact CE-CD1 4.35Å; M127-A147 HydrophobicContact SD-CB 4.11Å; M127-V249 HydrophobicContact CG-CG1 4.15Å; M127-V249 HydrophobicContact SD-CG1 4.4Å; M127-H250 PolarHBondContact O-CE1 2.98Å; M127-H250 PolarHBondContact O-NE2 3.04Å; M127-H250 VanDerWaalsContact O-NE2 3.09Å; M127-T274 HydrophobicContact CB-CG2 4.21Å; M127-T274 HydrophobicContact CG-CG2 4.27Å; M127-T274 HydrophobicContact SD-CG2 3.71Å; M127-V292 HydrophobicContact CE-CB 3.9Å; M127-V292 HydrophobicContact CE-CG1 4.45Å; M127-V292 HydrophobicContact CE-CG2 4.12Å; M127-V292 HydrophobicContact SD-CB 3.81Å; M127-V292 HydrophobicContact SD-CG1 3.92Å; M127-V292 HydrophobicContact SD-CG2 3.71Å; M127-I295 HydrophobicContact CE-CB 4.22Å; M127-I295 HydrophobicContact CE-CG2 3.99Å; M127-L296 HydrophobicContact CE-CD2 4.1Å; M127-L296 HydrophobicContact CE-CG 4.01Å
128D96.6Very high97.4Very high13 Ų1333 Ų337%0.0720%0.196CC..SBendtrans41.157.3173.4-76.5-81.6000115.4H130 N144 L145 F146 A147 V249 H250D128-H130 PolarHBondContact O-N 3.09Å; D128-N144 PolarHBondContact N-OD1 2.88Å; D128-L145 PolarHBondContact N-O 3.13Å; D128-F146 WeakPolarHBondContact OD2-CA 3.43Å; D128-A147 WeakPolarHBondContact OD2-CB 3.36Å; D128-A147 PolarHBondContact OD2-N 3.03Å; D128-V249 HydrophobicContact CB-CB 3.92Å; D128-V249 HydrophobicContact CB-CG1 3.81Å; D128-V249 HydrophobicContact CB-CG2 3.88Å; D128-H250 PolarHBondContact O-NE2 2.83Å
129L97Very high97.2Very high12 Ų1233.5 Ų33.56%0.06320%0.195CC..  trans-48.1135.7171-75.1168.7000111.9Y92 T126 M127 A131 I134 Q135 N144Y92-L129 HydrophobicContact CD1-CD2 4.01Å; Y92-L129 HydrophobicContact CG-CD2 3.8Å; T126-L129 HydrophobicContact CG2-CD2 4.28Å; T126-L129 WeakPolarHBondContact OG1-CG 3.47Å; M127-L129 PolarHBondContact O-N 3.31Å; L129-A131 PolarHBondContact O-N 3.33Å; L129-A131 VanDerWaalsContact O-N 3.09Å; L129-I134 HydrophobicContact CD1-CB 4.17Å; L129-I134 HydrophobicContact CD1-CG2 4.23Å; L129-I134 HydrophobicContact CD2-CB 4.37Å; L129-I134 HydrophobicContact CD2-CD1 4.33Å; L129-I134 HydrophobicContact CD2-CG2 3.97Å; L129-Q135 HydrophobicContact CD1-CG 3.71Å; L129-N144 HydrophobicContact CD1-CB 4Å; L129-N144 VanDerWaalsContact CG-OD1 3.24Å; L129-N144 WeakPolarHBondContact CG-OD1 3.39Å; L129-N144 PolarHBondContact N-OD1 3.1Å
130H95Very high97.2Very high63 Ų6334.6 Ų34.629%0.29220%0.198SC..SBendtrans-48.7-42.2178.4-178.260.7000112.7A95 D98 D128 I134 D221A95-H130 HydrophobicContact CB-CB 3.73Å; D98-H130 IonicContact OD1-CD2 3.42Å; D128-H130 PolarHBondContact O-N 3.09Å; H130-I134 HydrophobicContact CB-CD1 4.45Å; H130-D221 IonicContact CE1-OD2 3.55Å; H130-D221 IonicContact CG-OD2 3.55Å; H130-D221 IonicContact ND1-OD1 3.61Å; H130-D221 IonicContact ND1-OD2 3.8Å; H130-D221 PolarHBondContact ND1-OD2 2.85Å
131A94.1Very high97.1Very high12 Ų1237.8 Ų37.810%0.09922%0.217CC..SBendtrans-131.4128171.700000109.8D98 L129 Q133 I134D98-A131 HydrophobicContact CB-CB 4.27Å; D98-A131 WeakPolarHBondContact OD2-CB 3.42Å; L129-A131 PolarHBondContact O-N 3.33Å; L129-A131 VanDerWaalsContact O-N 3.09Å; A131-Q133 PolarHBondContact O-N 2.82Å; A131-I134 HydrophobicContact CB-CD1 4.3Å; A131-I134 HydrophobicContact CB-CG1 4.29Å; A131-I134 WeakPolarHBondContact O-CB 3.31Å; A131-I134 VanDerWaalsContact O-CG1 3.3Å; A131-I134 WeakPolarHBondContact O-CG1 3.36Å; A131-I134 PolarHBondContact O-N 2.81Å
132S92.2Very high97.1Very high65 Ų6538.6 Ų38.646%0.45522%0.221SC..G310 helixtrans-55.4-26.4178.1590000113.8I134 Q135S132-I134 PolarHBondContact O-N 2.9Å; S132-Q135 WeakPolarHBondContact O-CB 3.44Å; S132-Q135 WeakPolarHBondContact O-CG 3.41Å; S132-Q135 PolarHBondContact O-N 2.78Å; S132-Q135 PolarHBondContact O-NE2 2.95Å
133Q95.3Very high97Very high121 Ų12137.8 Ų37.857%0.56522%0.217SC*.G310 helixtrans-67.2-20.1179.3-68.274.79.600112.8A131 Q135 G136A131-Q133 PolarHBondContact O-N 2.82Å; Q133-Q135 PolarHBondContact O-N 2.81Å; Q133-G136 PolarHBondContact O-N 3.19Å
134I97.8Very high96.9Very high0 Ų037.1 Ų37.10%021%0.214CC..G310 helixtrans-58.1-29.1175.2-65.7167.8000110.9Y92 A95 D98 L129 H130 A131 S132 G136 F137 F138Y92-I134 HydrophobicContact CD1-CG2 4.28Å; Y92-I134 HydrophobicContact CE1-CG2 3.97Å; A95-I134 HydrophobicContact CB-CD1 4.05Å; A95-I134 WeakPolarHBondContact O-CD1 3.49Å; D98-I134 HydrophobicContact CB-CD1 4.03Å; D98-I134 HydrophobicContact CB-CG1 3.85Å; L129-I134 HydrophobicContact CD1-CB 4.17Å; L129-I134 HydrophobicContact CD1-CG2 4.23Å; L129-I134 HydrophobicContact CD2-CB 4.37Å; L129-I134 HydrophobicContact CD2-CD1 4.33Å; L129-I134 HydrophobicContact CD2-CG2 3.97Å; H130-I134 HydrophobicContact CB-CD1 4.45Å; A131-I134 HydrophobicContact CB-CD1 4.3Å; A131-I134 HydrophobicContact CB-CG1 4.29Å; A131-I134 WeakPolarHBondContact O-CB 3.31Å; A131-I134 VanDerWaalsContact O-CG1 3.3Å; A131-I134 WeakPolarHBondContact O-CG1 3.36Å; A131-I134 PolarHBondContact O-N 2.81Å; S132-I134 PolarHBondContact O-N 2.9Å; I134-G136 PolarHBondContact O-N 3.12Å; I134-F137 HydrophobicContact CB-CD2 4.17Å; I134-F137 HydrophobicContact CB-CE2 4.29Å; I134-F137 HydrophobicContact CG1-CD2 4.2Å; I134-F137 HydrophobicContact CG1-CE2 3.85Å; I134-F137 HydrophobicContact CG2-CD2 4Å; I134-F137 WeakPolarHBondContact O-CB 3.4Å; I134-F137 PolarHBondContact O-N 2.77Å; I134-F138 HydrophobicContact CG2-CE2 4.31Å
135Q97.4Very high96.9Very high68 Ų6837.1 Ų37.132%0.31821%0.214SC..G310 helixtrans-56.5-37.2173.4-66173.89700112L129 S132 Q133 F137 F138 V142 N144L129-Q135 HydrophobicContact CD1-CG 3.71Å; S132-Q135 WeakPolarHBondContact O-CB 3.44Å; S132-Q135 WeakPolarHBondContact O-CG 3.41Å; S132-Q135 PolarHBondContact O-N 2.78Å; S132-Q135 PolarHBondContact O-NE2 2.95Å; Q133-Q135 PolarHBondContact O-N 2.81Å; Q135-F137 PolarHBondContact O-N 2.52Å; Q135-F138 PolarHBondContact O-N 3.47Å; Q135-V142 HydrophobicContact CB-CB 4.4Å; Q135-V142 HydrophobicContact CG-CB 4.29Å; Q135-V142 HydrophobicContact CG-CG1 3.96Å; Q135-N144 HydrophobicContact CG-CB 4.17Å
136G97.6Very high96.7Very high64 Ų6440.6 Ų40.666%0.6623%0.229SC*.G310 helixtrans-73.6-0.6176.100000114.5Q133 I134 F138Q133-G136 PolarHBondContact O-N 3.19Å; I134-G136 PolarHBondContact O-N 3.12Å; G136-F138 VanDerWaalsContact C-N 3.33Å
137F98.3Very high96.6Very high36 Ų3640.6 Ų40.616%0.15823%0.229CC..G310 helixtrans-82.8-13.2171.2-63.3-12.2000112.8D98 I107 A109 K110 A113 I134 Q135D98-F137 HydrophobicContact CB-CE2 4.27Å; D98-F137 HydrophobicContact CB-CZ 4.49Å; D98-F137 VanDerWaalsContact O-CZ 3.28Å; D98-F137 WeakPolarHBondContact O-CZ 3.34Å; I107-F137 HydrophobicContact CG2-CE2 4.08Å; I107-F137 HydrophobicContact CG2-CZ 4.14Å; A109-F137 HydrophobicContact CB-CD2 4.18Å; A109-F137 HydrophobicContact CB-CE2 3.96Å; K110-F137 HydrophobicContact CB-CB 4.36Å; K110-F137 HydrophobicContact CB-CD1 4.44Å; K110-F137 HydrophobicContact CB-CD2 3.86Å; K110-F137 HydrophobicContact CB-CE2 4.28Å; K110-F137 HydrophobicContact CB-CG 3.97Å; K110-F137 HydrophobicContact CD-CB 3.52Å; K110-F137 HydrophobicContact CD-CD1 4.12Å; K110-F137 HydrophobicContact CD-CG 3.83Å; K110-F137 WeakPolarHBondContact CD-O 3.39Å; K110-F137 HydrophobicContact CG-CG 4.43Å; K110-F137 PolarHBondContact NZ-O 2.97Å; A113-F137 HydrophobicContact CB-CB 3.79Å; I134-F137 HydrophobicContact CB-CD2 4.17Å; I134-F137 HydrophobicContact CB-CE2 4.29Å; I134-F137 HydrophobicContact CG1-CD2 4.2Å; I134-F137 HydrophobicContact CG1-CE2 3.85Å; I134-F137 HydrophobicContact CG2-CD2 4Å; I134-F137 WeakPolarHBondContact O-CB 3.4Å; I134-F137 PolarHBondContact O-N 2.77Å; Q135-F137 PolarHBondContact O-N 2.52Å
138F98.4Very high96.5Very high16 Ų1641.6 Ų41.67%0.0723%0.234CC..  trans-96.4140.9178.6-68-91.2000110.5Y92 A113 L116 I124 I134 Q135 G136 I140 V142Y92-F138 HydrophobicContact CE2-CE2 4.33Å; Y92-F138 AromaticContact CE2-CZ 3.69Å; Y92-F138 HydrophobicContact CE2-CZ 3.69Å; Y92-F138 AromaticContact CZ-CZ 3.84Å; Y92-F138 WeakPolarHBondContact OH-CZ 3.3Å; A113-F138 VanDerWaalsContact CA-CE1 3.42Å; A113-F138 HydrophobicContact CB-CD1 3.83Å; A113-F138 HydrophobicContact CB-CD2 3.91Å; A113-F138 HydrophobicContact CB-CE1 3.55Å; A113-F138 HydrophobicContact CB-CE2 3.65Å; A113-F138 HydrophobicContact CB-CG 4.01Å; A113-F138 HydrophobicContact CB-CZ 3.46Å; A113-F138 VanDerWaalsContact CB-CZ 3.46Å; L116-F138 HydrophobicContact CB-CE1 4.28Å; L116-F138 HydrophobicContact CD1-CE1 4.01Å; L116-F138 HydrophobicContact CD1-CZ 4.18Å; I124-F138 HydrophobicContact CD1-CD1 4.44Å; I124-F138 HydrophobicContact CD1-CE1 4Å; I124-F138 HydrophobicContact CG1-CD1 3.72Å; I124-F138 HydrophobicContact CG1-CE1 3.56Å; I124-F138 HydrophobicContact CG1-CG 4.44Å; I124-F138 HydrophobicContact CG1-CZ 4.15Å; I134-F138 HydrophobicContact CG2-CE2 4.31Å; Q135-F138 PolarHBondContact O-N 3.47Å; G136-F138 VanDerWaalsContact C-N 3.33Å; F138-I140 HydrophobicContact CB-CG1 4.06Å; F138-I140 WeakPolarHBondContact CB-O 3.32Å; F138-I140 HydrophobicContact CD1-CD1 4.32Å; F138-I140 HydrophobicContact CD1-CG1 4.09Å; F138-V142 HydrophobicContact CB-CG2 3.5Å; F138-V142 HydrophobicContact CD1-CG2 4.36Å; F138-V142 HydrophobicContact CD2-CG2 3.51Å; F138-V142 HydrophobicContact CE2-CG2 4.29Å; F138-V142 HydrophobicContact CG-CG2 3.52Å
139D95Very high96.3Very high139 Ų13941.3 Ų41.374%0.74323%0.233SC*.SBendtrans-90.96.8170.1-57.4-47.5000111.3
140I97.8Very high96.3Very high36 Ų3641.1 Ų41.119%0.18523%0.233CC..SBendtrans-123.9159179.358.9178.3000109.7A121 I124 F138A121-I140 HydrophobicContact CB-CD1 3.92Å; A121-I140 WeakPolarHBondContact O-CD1 3.44Å; I124-I140 HydrophobicContact CD1-CD1 4.01Å; I124-I140 HydrophobicContact CG1-CD1 3.87Å; I124-I140 HydrophobicContact CG1-CG1 4.36Å; F138-I140 HydrophobicContact CB-CG1 4.06Å; F138-I140 WeakPolarHBondContact CB-O 3.32Å; F138-I140 HydrophobicContact CD1-CD1 4.32Å; F138-I140 HydrophobicContact CD1-CG1 4.09Å
141P97.6Very high96.4Very high78 Ų7838.4 Ų38.451%0.50622%0.221SC..  trans-55.9140.7176.9-26.135.7000113.1D122 H123 I124D122-P141 WeakPolarHBondContact O-CD 3.37Å; H123-P141 PolarHBondContact CD2-O 2.75Å; I124-P141 PolarHBondContact N-O 3.36Å
142V98.1Very high96.5Very high20 Ų2038.6 Ų38.612%0.12122%0.22CC..EExtended strand (participates in β ladder)trans-131.1120.2176-174.30000109.2I124 Q135 F138I124-V142 HydrophobicContact CB-CG1 4.23Å; I124-V142 HydrophobicContact CB-CG2 4.21Å; I124-V142 HydrophobicContact CG1-CG2 4.45Å; I124-V142 HydrophobicContact CG2-CG1 4.42Å; I124-V142 CarbonylContact O-C 3.46Å; I124-V142 VanDerWaalsContact O-CA 3.32Å; I124-V142 WeakPolarHBondContact O-CA 3.43Å; Q135-V142 HydrophobicContact CB-CB 4.4Å; Q135-V142 HydrophobicContact CG-CB 4.29Å; Q135-V142 HydrophobicContact CG-CG1 3.96Å; F138-V142 HydrophobicContact CB-CG2 3.5Å; F138-V142 HydrophobicContact CD1-CG2 4.36Å; F138-V142 HydrophobicContact CD2-CG2 3.51Å; F138-V142 HydrophobicContact CE2-CG2 4.29Å; F138-V142 HydrophobicContact CG-CG2 3.52Å
143D97Very high96.7Very high32 Ų3240.5 Ų40.517%0.17122%0.22CC..EExtended strand (participates in β ladder)trans-99.195.7170.4-74.7-27.6000108.7H123 I124 I125 T126 L145 T303 V309H123-D143 IonicContact CE1-OD2 3.48Å; H123-D143 PolarHBondContact CE1-OD2 3.16Å; H123-D143 VanDerWaalsContact NE2-CG 3.33Å; H123-D143 IonicContact NE2-OD1 3.64Å; H123-D143 IonicContact NE2-OD2 3.79Å; H123-D143 PolarHBondContact NE2-OD2 2.9Å; H123-D143 VanDerWaalsContact NE2-OD2 3.17Å; I124-D143 PolarHBondContact O-N 2.78Å; I125-D143 WeakPolarHBondContact CA-O 3.27Å; I125-D143 HydrophobicContact CG1-CB 4.24Å; T126-D143 PolarHBondContact N-O 3.36Å; D143-L145 PolarHBondContact O-N 3.1Å; D143-T303 PolarHBondContact OD2-OG1 3.02Å; D143-V309 HydrophobicContact CB-CG2 4.2Å; D143-V309 WeakPolarHBondContact OD1-CG2 3.22Å
144N96.9Very high96.8Very high5 Ų535.9 Ų35.93%0.02720%0.198CC..EExtended strand (participates in β ladder)trans-85.8106.4171.8178.374.3000110.9T126 D128 L129 Q135 F146T126-N144 PolarHBondContact OG1-OD1 3.15Å; D128-N144 PolarHBondContact N-OD1 2.88Å; L129-N144 HydrophobicContact CD1-CB 4Å; L129-N144 VanDerWaalsContact CG-OD1 3.24Å; L129-N144 WeakPolarHBondContact CG-OD1 3.39Å; L129-N144 PolarHBondContact N-OD1 3.1Å; Q135-N144 HydrophobicContact CG-CB 4.17Å; N144-F146 WeakPolarHBondContact ND2-CE1 3.22Å; N144-F146 WeakPolarHBondContact ND2-CZ 3.46Å
145L97.1Very high96.8Very high0 Ų036 Ų360%020%0.198CC..EExtended strand (participates in β ladder)trans-76.9160.4176.3-51.3177.7000111.3I125 T126 M127 D128 D143 I295 L296 A299 L312 F313I125-L145 HydrophobicContact CG2-CD1 3.77Å; I125-L145 HydrophobicContact CG2-CG 4.11Å; T126-L145 WeakPolarHBondContact O-CB 3.42Å; T126-L145 WeakPolarHBondContact O-CG 3.43Å; T126-L145 PolarHBondContact O-N 3.13Å; M127-L145 CarbonylContact C-O 3.51Å; M127-L145 WeakPolarHBondContact CA-O 3.24Å; M127-L145 HydrophobicContact CE-CB 4.1Å; M127-L145 HydrophobicContact CE-CD1 4.35Å; D128-L145 PolarHBondContact N-O 3.13Å; D143-L145 PolarHBondContact O-N 3.1Å; L145-I295 HydrophobicContact CB-CG2 4.41Å; L145-I295 HydrophobicContact CD1-CG2 4.12Å; L145-L296 HydrophobicContact CD1-CD2 3.84Å; L145-A299 HydrophobicContact CD1-CB 3.51Å; L145-A299 HydrophobicContact CD2-CB 3.9Å; L145-A299 HydrophobicContact CG-CB 4.31Å; L145-L312 HydrophobicContact CD2-CD1 4.29Å; L145-F313 HydrophobicContact CD2-CE1 4.18Å
146F95.4Very high96.8Very high72 Ų7237.7 Ų37.732%0.31621%0.205SC..  trans-122.6131.3177.1-60.4-79.6000110.1D128 N144 E148 P149 F313D128-F146 WeakPolarHBondContact OD2-CA 3.43Å; N144-F146 WeakPolarHBondContact ND2-CE1 3.22Å; N144-F146 WeakPolarHBondContact ND2-CZ 3.46Å; F146-E148 HydrophobicContact CB-CB 4.3Å; F146-E148 PolarHBondContact O-N 2.99Å; F146-P149 WeakPolarHBondContact O-CD 3.24Å; F146-F313 HydrophobicContact CD2-CB 4.38Å; F146-F313 AromaticContact CD2-CD1 3.69Å; F146-F313 HydrophobicContact CD2-CD1 3.69Å; F146-F313 HydrophobicContact CD2-CE1 4.11Å; F146-F313 HydrophobicContact CD2-CG 4.03Å; F146-F313 HydrophobicContact CE2-CD1 4.18Å; F146-F313 HydrophobicContact CE2-CE1 4.3Å; F146-F313 HydrophobicContact CE2-CG 4.34Å
147A96Very high96.8Very high0 Ų040.9 Ų40.90%020%0.202CC..SBendtrans-74.7-6.817100000112.2M127 D128 A150 I151 V249 T272 V292M127-A147 HydrophobicContact SD-CB 4.11Å; D128-A147 WeakPolarHBondContact OD2-CB 3.36Å; D128-A147 PolarHBondContact OD2-N 3.03Å; A147-A150 WeakPolarHBondContact O-CA 3.39Å; A147-A150 WeakPolarHBondContact O-CB 3.37Å; A147-A150 PolarHBondContact O-N 3.11Å; A147-I151 HydrophobicContact CB-CD1 4.22Å; A147-I151 HydrophobicContact CB-CG1 4.46Å; A147-I151 WeakPolarHBondContact O-CG1 3.45Å; A147-I151 PolarHBondContact O-N 3.21Å; A147-V249 HydrophobicContact CB-CG1 3.83Å; A147-V249 HydrophobicContact CB-CG2 3.98Å; A147-T272 HydrophobicContact CB-CG2 4.01Å; A147-V292 HydrophobicContact CB-CG1 4.37Å
148E95.5Very high96.7Very high21 Ų2142.5 Ų42.510%0.09821%0.213CC..Hα-helixtrans-48.2-48.1-176.6-166.9-166.2101.900113.6F146 A150 I151 L152 S180 I181 R184F146-E148 HydrophobicContact CB-CB 4.3Å; F146-E148 PolarHBondContact O-N 2.99Å; E148-A150 VanDerWaalsContact C-N 3.28Å; E148-A150 PolarHBondContact O-N 3.47Å; E148-I151 WeakPolarHBondContact O-CB 3.5Å; E148-I151 PolarHBondContact O-N 3.28Å; E148-I151 VanDerWaalsContact O-N 3.14Å; E148-L152 HydrophobicContact CG-CD1 4.2Å; E148-L152 HydrophobicContact CG-CG 4.4Å; E148-L152 VanDerWaalsContact O-CG 3.28Å; E148-L152 WeakPolarHBondContact O-CG 3.37Å; E148-L152 PolarHBondContact O-N 3.1Å; E148-S180 PolarHBondContact OE1-OG 2.84Å; E148-S180 VanDerWaalsContact OE2-CB 3.31Å; E148-S180 WeakPolarHBondContact OE2-CB 3.28Å; E148-S180 PolarHBondContact OE2-OG 3.35Å; E148-I181 HydrophobicContact CG-CD1 4.34Å; E148-I181 HydrophobicContact CG-CG1 3.63Å; E148-R184 WeakPolarHBondContact OE1-CD 3.28Å; E148-R184 IonicContact OE1-CZ 3.54Å; E148-R184 IonicContact OE1-NE 3.56Å; E148-R184 PolarHBondContact OE1-NE 3.34Å; E148-R184 IonicContact OE1-NH1 2.62Å; E148-R184 PolarHBondContact OE1-NH1 3.45Å
149P93.8Very high96.7Very high8 Ų841.9 Ų41.95%0.05221%0.21CC..Hα-helixtrans-60-37.3177.3-24.937.3000113.3F146 K153 V316F146-P149 WeakPolarHBondContact O-CD 3.24Å; P149-K153 PolarHBondContact O-N 3.05Å; P149-K153 VanDerWaalsContact O-N 3.1Å; P149-V316 HydrophobicContact CB-CG2 3.56Å; P149-V316 WeakPolarHBondContact O-CG2 3.15Å
150A95.8Very high96.7Very high8 Ų838.4 Ų38.47%0.06620%0.195CC..Hα-helixtrans-72.5-35.717700000112A147 E148 K153 Y154 I290 I295 V316A147-A150 WeakPolarHBondContact O-CA 3.39Å; A147-A150 WeakPolarHBondContact O-CB 3.37Å; A147-A150 PolarHBondContact O-N 3.11Å; E148-A150 VanDerWaalsContact C-N 3.28Å; E148-A150 PolarHBondContact O-N 3.47Å; A150-K153 PolarHBondContact O-N 3.12Å; A150-Y154 WeakPolarHBondContact O-CB 3.49Å; A150-Y154 PolarHBondContact O-N 2.98Å; A150-I290 HydrophobicContact CB-CG2 3.7Å; A150-I295 HydrophobicContact CB-CD1 4.04Å; A150-V316 HydrophobicContact CB-CG2 4.42Å
151I97.1Very high96.6Very high5 Ų541.3 Ų41.33%0.02621%0.211CC..Hα-helixtrans-62.6-47.4172.7-67.8170.8000110.4A147 E148 K153 Y154 V155 I181 I247 V249 I290A147-I151 HydrophobicContact CB-CD1 4.22Å; A147-I151 HydrophobicContact CB-CG1 4.46Å; A147-I151 WeakPolarHBondContact O-CG1 3.45Å; A147-I151 PolarHBondContact O-N 3.21Å; E148-I151 WeakPolarHBondContact O-CB 3.5Å; E148-I151 PolarHBondContact O-N 3.28Å; E148-I151 VanDerWaalsContact O-N 3.14Å; I151-K153 VanDerWaalsContact C-N 3.33Å; I151-K153 PolarHBondContact O-N 3.47Å; I151-Y154 WeakPolarHBondContact O-CB 3.45Å; I151-Y154 PolarHBondContact O-N 3.28Å; I151-Y154 VanDerWaalsContact O-N 3.16Å; I151-V155 HydrophobicContact CG2-CG2 4.3Å; I151-V155 VanDerWaalsContact O-CG2 3.32Å; I151-V155 WeakPolarHBondContact O-CG2 3.39Å; I151-V155 PolarHBondContact O-N 2.56Å; I151-I181 HydrophobicContact CG2-CD1 4.46Å; I151-I247 HydrophobicContact CB-CG2 4.45Å; I151-I247 HydrophobicContact CD1-CG2 3.92Å; I151-I247 HydrophobicContact CG1-CG2 3.8Å; I151-I247 HydrophobicContact CG2-CD1 3.93Å; I151-I247 HydrophobicContact CG2-CG2 3.93Å; I151-V249 HydrophobicContact CD1-CG2 4.08Å; I151-I290 HydrophobicContact CG1-CD1 4.24Å
152L96.7Very high96.6Very high17 Ų1739.7 Ų39.79%0.08920%0.195CC..Hα-helixtrans-59.5-44.6178.6-68.6168.3000111.6E148 V155 K156 I181 R184 L185E148-L152 HydrophobicContact CG-CD1 4.2Å; E148-L152 HydrophobicContact CG-CG 4.4Å; E148-L152 VanDerWaalsContact O-CG 3.28Å; E148-L152 WeakPolarHBondContact O-CG 3.37Å; E148-L152 PolarHBondContact O-N 3.1Å; L152-V155 PolarHBondContact O-N 3.12Å; L152-K156 WeakPolarHBondContact O-CG 3.29Å; L152-K156 PolarHBondContact O-N 2.82Å; L152-K156 VanDerWaalsContact O-N 3.15Å; L152-I181 HydrophobicContact CD2-CG2 4.02Å; L152-R184 HydrophobicContact CD1-CB 3.82Å; L152-R184 VanDerWaalsContact CD1-CD 3.47Å; L152-R184 HydrophobicContact CD1-CG 4.31Å; L152-R184 HydrophobicContact CD2-CB 3.92Å; L152-L185 HydrophobicContact CD2-CD1 4.18Å; L152-L185 HydrophobicContact CD2-CD2 3.68Å; L152-L185 HydrophobicContact CD2-CG 3.54Å
153K95.9Very high96.5Very high105 Ų10544.6 Ų44.646%0.45722%0.216SC..Hα-helixtrans-59.3-48.6173.9-176.6179178.9-179.10111P149 A150 I151 V155 K156 E157P149-K153 PolarHBondContact O-N 3.05Å; P149-K153 VanDerWaalsContact O-N 3.1Å; A150-K153 PolarHBondContact O-N 3.12Å; I151-K153 VanDerWaalsContact C-N 3.33Å; I151-K153 PolarHBondContact O-N 3.47Å; K153-V155 PolarHBondContact O-N 2.92Å; K153-K156 PolarHBondContact O-N 3.37Å; K153-E157 WeakPolarHBondContact CE-OE1 3.38Å; K153-E157 WeakPolarHBondContact CE-OE2 3.4Å; K153-E157 HydrophobicContact CG-CG 4.45Å; K153-E157 WeakPolarHBondContact CG-OE1 3.36Å; K153-E157 WeakPolarHBondContact O-CB 3.22Å; K153-E157 WeakPolarHBondContact O-CG 3.28Å; K153-E157 PolarHBondContact O-N 3.4Å
154Y97.4Very high96.5Very high24 Ų2446.1 Ų46.19%0.09423%0.225CC..Hα-helixtrans-57.4-49.1179.1-177.7-84.9000112.2A150 I151 K156 E157 N158 I159 I247 V270 R288 I290A150-Y154 WeakPolarHBondContact O-CB 3.49Å; A150-Y154 PolarHBondContact O-N 2.98Å; I151-Y154 WeakPolarHBondContact O-CB 3.45Å; I151-Y154 PolarHBondContact O-N 3.28Å; I151-Y154 VanDerWaalsContact O-N 3.16Å; Y154-K156 VanDerWaalsContact C-N 3.33Å; Y154-K156 PolarHBondContact O-N 2.92Å; Y154-E157 PolarHBondContact O-N 2.94Å; Y154-N158 HydrophobicContact CD1-CB 4.24Å; Y154-N158 HydrophobicContact CD2-CB 4.3Å; Y154-N158 HydrophobicContact CE1-CB 3.8Å; Y154-N158 HydrophobicContact CE2-CB 3.92Å; Y154-N158 HydrophobicContact CG-CB 4.45Å; Y154-N158 VanDerWaalsContact O-CB 3.27Å; Y154-N158 WeakPolarHBondContact O-CB 3.43Å; Y154-N158 PolarHBondContact O-N 3.32Å; Y154-N158 PolarHBondContact O-ND2 3.44Å; Y154-N158 VanDerWaalsContact O-ND2 3.12Å; Y154-I159 HydrophobicContact CE1-CG1 4.28Å; Y154-I247 HydrophobicContact CD1-CD1 4.48Å; Y154-V270 HydrophobicContact CD1-CG1 4.1Å; Y154-V270 HydrophobicContact CD1-CG2 4.19Å; Y154-V270 HydrophobicContact CD2-CG1 4.22Å; Y154-V270 HydrophobicContact CE1-CB 4.25Å; Y154-V270 HydrophobicContact CE1-CG1 3.93Å; Y154-V270 HydrophobicContact CE1-CG2 3.4Å; Y154-V270 HydrophobicContact CE2-CG1 4.01Å; Y154-V270 HydrophobicContact CG-CG1 4.27Å; Y154-R288 WeakPolarHBondContact OH-CD 3.11Å; Y154-R288 PolarHBondContact OH-NH1 3.12Å; Y154-I290 HydrophobicContact CD2-CD1 4.06Å; Y154-I290 HydrophobicContact CD2-CG1 3.71Å; Y154-I290 HydrophobicContact CE2-CG1 4.44Å; Y154-I290 HydrophobicContact CG-CD1 3.81Å; Y154-I290 HydrophobicContact CG-CG1 4.01Å
155V98.1Very high96.6Very high1 Ų145.9 Ų45.91%0.00622%0.223CC..Hα-helixtrans-56.7-49.2179.9171.50000110.3I151 L152 K153 E157 I159 W162 L185 I217 I247I151-V155 HydrophobicContact CG2-CG2 4.3Å; I151-V155 VanDerWaalsContact O-CG2 3.32Å; I151-V155 WeakPolarHBondContact O-CG2 3.39Å; I151-V155 PolarHBondContact O-N 2.56Å; L152-V155 PolarHBondContact O-N 3.12Å; K153-V155 PolarHBondContact O-N 2.92Å; V155-E157 VanDerWaalsContact C-N 3.32Å; V155-E157 PolarHBondContact O-N 3.45Å; V155-I159 HydrophobicContact CB-CD1 4.41Å; V155-I159 HydrophobicContact CG1-CD1 4.34Å; V155-I159 HydrophobicContact CG2-CD1 4.06Å; V155-I159 WeakPolarHBondContact O-CB 3.45Å; V155-I159 PolarHBondContact O-N 2.8Å; V155-I159 VanDerWaalsContact O-N 3.1Å; V155-W162 HydrophobicContact CG1-CB 3.71Å; V155-W162 HydrophobicContact CG1-CD2 4.46Å; V155-W162 HydrophobicContact CG1-CG 4.12Å; V155-L185 HydrophobicContact CB-CD1 4.41Å; V155-L185 HydrophobicContact CG1-CD1 3.85Å; V155-L185 HydrophobicContact CG1-CD2 4.34Å; V155-I217 HydrophobicContact CG1-CD1 3.93Å; V155-I217 HydrophobicContact CG2-CD1 4.35Å; V155-I247 HydrophobicContact CG2-CD1 3.58Å
156K97.3Very high96.7Very high105 Ų10545.9 Ų45.946%0.45722%0.223SC..Hα-helixtrans-63.8-35.9-178-69.9179.8-178.3179.60113.3L152 K153 Y154 W162 L185L152-K156 WeakPolarHBondContact O-CG 3.29Å; L152-K156 PolarHBondContact O-N 2.82Å; L152-K156 VanDerWaalsContact O-N 3.15Å; K153-K156 PolarHBondContact O-N 3.37Å; Y154-K156 VanDerWaalsContact C-N 3.33Å; Y154-K156 PolarHBondContact O-N 2.92Å; K156-W162 HydrophobicContact CB-CZ2 4.42Å; K156-W162 HydrophobicContact CD-CH2 4.49Å; K156-W162 HydrophobicContact CD-CZ2 4.35Å; K156-W162 HydrophobicContact CG-CD2 4.36Å; K156-W162 HydrophobicContact CG-CH2 4.11Å; K156-W162 HydrophobicContact CG-CZ2 3.75Å; K156-W162 PolarHBondContact O-NE1 2.85Å; K156-L185 HydrophobicContact CD-CD2 4.46Å; K156-L185 HydrophobicContact CG-CD2 4.08Å
157E97.1Very high96.8Very high130 Ų13042.4 Ų42.461%0.60721%0.208SC*.Hα-helixtrans-89.7-27.7-175.2-70.1175.4179.800113.6K153 Y154 V155K153-E157 WeakPolarHBondContact CE-OE1 3.38Å; K153-E157 WeakPolarHBondContact CE-OE2 3.4Å; K153-E157 HydrophobicContact CG-CG 4.45Å; K153-E157 WeakPolarHBondContact CG-OE1 3.36Å; K153-E157 WeakPolarHBondContact O-CB 3.22Å; K153-E157 WeakPolarHBondContact O-CG 3.28Å; K153-E157 PolarHBondContact O-N 3.4Å; Y154-E157 PolarHBondContact O-N 2.94Å; V155-E157 VanDerWaalsContact C-N 3.32Å; V155-E157 PolarHBondContact O-N 3.45Å
158N97.7Very high96.9Very high71 Ų7142.4 Ų42.438%0.3821%0.208SC..Hα-helixtrans-124.5-13.1-165-62-90.2000115.2Y154 P160Y154-N158 HydrophobicContact CD1-CB 4.24Å; Y154-N158 HydrophobicContact CD2-CB 4.3Å; Y154-N158 HydrophobicContact CE1-CB 3.8Å; Y154-N158 HydrophobicContact CE2-CB 3.92Å; Y154-N158 HydrophobicContact CG-CB 4.45Å; Y154-N158 VanDerWaalsContact O-CB 3.27Å; Y154-N158 WeakPolarHBondContact O-CB 3.43Å; Y154-N158 PolarHBondContact O-N 3.32Å; Y154-N158 PolarHBondContact O-ND2 3.44Å; Y154-N158 VanDerWaalsContact O-ND2 3.12Å; N158-P160 WeakPolarHBondContact O-CD 3.24Å
159I97.4Very high97Very high3 Ų341.4 Ų41.42%0.01520%0.204CC..SBendtrans-104.8109.8178.9-61.1-176.4000109.2Y154 V155 W162 V215 I217 F245 I247Y154-I159 HydrophobicContact CE1-CG1 4.28Å; V155-I159 HydrophobicContact CB-CD1 4.41Å; V155-I159 HydrophobicContact CG1-CD1 4.34Å; V155-I159 HydrophobicContact CG2-CD1 4.06Å; V155-I159 WeakPolarHBondContact O-CB 3.45Å; V155-I159 PolarHBondContact O-N 2.8Å; V155-I159 VanDerWaalsContact O-N 3.1Å; I159-W162 HydrophobicContact CB-CB 4.22Å; I159-W162 HydrophobicContact CG2-CB 4.14Å; I159-W162 WeakPolarHBondContact O-CB 3.48Å; I159-W162 VanDerWaalsContact O-CD1 3.3Å; I159-W162 PolarHBondContact O-N 2.83Å; I159-V215 HydrophobicContact CG2-CG1 3.91Å; I159-I217 HydrophobicContact CD1-CD1 3.72Å; I159-I217 HydrophobicContact CD1-CG1 4.2Å; I159-I217 HydrophobicContact CG2-CD1 4.36Å; I159-F245 HydrophobicContact CD1-CB 4.3Å; I159-F245 HydrophobicContact CD1-CD1 4.18Å; I159-F245 HydrophobicContact CD1-CD2 4.41Å; I159-F245 HydrophobicContact CD1-CG 4.04Å; I159-F245 HydrophobicContact CG1-CD1 4.27Å; I159-F245 HydrophobicContact CG1-CE1 4.28Å; I159-F245 HydrophobicContact CG2-CD2 4.09Å; I159-F245 HydrophobicContact CG2-CE2 3.77Å; I159-F245 HydrophobicContact CG2-CZ 4.03Å; I159-I247 HydrophobicContact CD1-CD1 4.35Å
160P95.6Very high97Very high65 Ų6541.1 Ų41.142%0.42220%0.201SC..THydrogen-bonded Turntrans-64.2143.8176.8-1930.7000111.4N158 W162N158-P160 WeakPolarHBondContact O-CD 3.24Å; P160-W162 PolarHBondContact O-N 2.96Å
161N94.9Very high96.7Very high98 Ų9843.2 Ų43.252%0.52421%0.211SC..THydrogen-bonded Turntrans56.328-178.3-59.9-16.9000114.1Q163 N164 V215N161-Q163 PolarHBondContact O-N 2.93Å; N161-N164 PolarHBondContact O-N 3.02Å; N161-V215 HydrophobicContact CB-CG2 4.37Å
162W97.3Very high96.2Very high43 Ų4345.5 Ų45.516%0.16323%0.231CC..G310 helixtrans-58.4-22.3179.669.2-97.8000113.3V155 K156 I159 P160 N164 A165 L185V155-W162 HydrophobicContact CG1-CB 3.71Å; V155-W162 HydrophobicContact CG1-CD2 4.46Å; V155-W162 HydrophobicContact CG1-CG 4.12Å; K156-W162 HydrophobicContact CB-CZ2 4.42Å; K156-W162 HydrophobicContact CD-CH2 4.49Å; K156-W162 HydrophobicContact CD-CZ2 4.35Å; K156-W162 HydrophobicContact CG-CD2 4.36Å; K156-W162 HydrophobicContact CG-CH2 4.11Å; K156-W162 HydrophobicContact CG-CZ2 3.75Å; K156-W162 PolarHBondContact O-NE1 2.85Å; I159-W162 HydrophobicContact CB-CB 4.22Å; I159-W162 HydrophobicContact CG2-CB 4.14Å; I159-W162 WeakPolarHBondContact O-CB 3.48Å; I159-W162 VanDerWaalsContact O-CD1 3.3Å; I159-W162 PolarHBondContact O-N 2.83Å; P160-W162 PolarHBondContact O-N 2.96Å; W162-N164 PolarHBondContact O-N 3.33Å; W162-A165 WeakPolarHBondContact O-CA 3.25Å; W162-A165 WeakPolarHBondContact O-CB 3.49Å; W162-A165 PolarHBondContact O-N 3.23Å; W162-L185 HydrophobicContact CE3-CD2 4.08Å; W162-L185 HydrophobicContact CZ3-CB 4.2Å; W162-L185 HydrophobicContact CZ3-CD2 3.91Å
163Q97.7Very high95.7Very high123 Ų12348 Ų4858%0.57526%0.261SS*.G310 helixtrans-66-23.2175.9-5988.7-20.900112.8N161 A165N161-Q163 PolarHBondContact O-N 2.93Å; Q163-A165 VanDerWaalsContact C-N 3.34Å
164N96.9Very high95.4Very high64 Ų6443 Ų4334%0.34224%0.24SC..G310 helixtrans-99.423.9169.2-171.939.3000111.4N161 W162 D213 R214 V215N161-N164 PolarHBondContact O-N 3.02Å; W162-N164 PolarHBondContact O-N 3.33Å; N164-D213 PolarHBondContact ND2-O 3.35Å; N164-D213 VanDerWaalsContact ND2-O 3.15Å; N164-R214 WeakPolarHBondContact O-CB 3.31Å; N164-R214 PolarHBondContact OD1-NE 2.61Å; N164-R214 VanDerWaalsContact OD1-NE 3.13Å; N164-V215 PolarHBondContact O-N 3.24Å
165A97.9Very high95.2Very high0 Ų043 Ų430%025%0.245CC..EExtended strand (participates in β ladder)trans-78.9160.617700000112.1W162 Q163 V187 V215 I217W162-A165 WeakPolarHBondContact O-CA 3.25Å; W162-A165 WeakPolarHBondContact O-CB 3.49Å; W162-A165 PolarHBondContact O-N 3.23Å; Q163-A165 VanDerWaalsContact C-N 3.34Å; A165-V187 WeakPolarHBondContact O-CB 3.48Å; A165-V215 CarbonylContact C-O 3.58Å; A165-V215 WeakPolarHBondContact CA-O 3.49Å; A165-V215 HydrophobicContact CB-CB 4.13Å; A165-V215 HydrophobicContact CB-CG1 4.42Å; A165-V215 WeakPolarHBondContact CB-O 3.48Å; A165-I217 HydrophobicContact CB-CD1 3.78Å; A165-I217 HydrophobicContact CB-CG1 4.25Å
166C98.4Very high95Very high0 Ų051.7 Ų51.70%028%0.282CS..EExtended strand (participates in β ladder)trans-124.9123.5164.1-1780000107.8D188 F189 V211 V215 I217C166-D188 WeakPolarHBondContact CA-O 3.34Å; C166-F189 VanDerWaalsContact SG-C 3.55Å; C166-V211 HydrophobicContact CB-CG1 4.09Å; C166-V215 PolarHBondContact N-O 3.27Å; C166-I217 PolarHBondContact O-N 3.09Å
167I98.6Very high94.8Very high0 Ų048.9 Ų48.90%027%0.269CS..EExtended strand (participates in β ladder)trans-83.1124178.6-48.4-56.4000108.3V178 I181 A182 L185 V187 D188 F189 A190 I217 V219I167-V178 HydrophobicContact CB-CG1 4.03Å; I167-V178 HydrophobicContact CG2-CB 4.2Å; I167-V178 HydrophobicContact CG2-CG1 3.76Å; I167-V178 HydrophobicContact CG2-CG2 4.04Å; I167-V178 VanDerWaalsContact O-CG1 3.24Å; I167-V178 WeakPolarHBondContact O-CG1 3.4Å; I167-I181 HydrophobicContact CD1-CG2 4.19Å; I167-I181 HydrophobicContact CG1-CG2 4.08Å; I167-I181 HydrophobicContact CG2-CB 4.37Å; I167-I181 HydrophobicContact CG2-CG2 4.13Å; I167-A182 HydrophobicContact CB-CB 4.19Å; I167-A182 HydrophobicContact CG1-CB 3.99Å; I167-L185 HydrophobicContact CD1-CD1 3.79Å; I167-L185 HydrophobicContact CG1-CD1 4.37Å; I167-V187 HydrophobicContact CD1-CG2 4.16Å; I167-V187 HydrophobicContact CG1-CG2 3.75Å; I167-D188 PolarHBondContact N-O 3.47Å; I167-F189 CarbonylContact O-C 3.56Å; I167-F189 WeakPolarHBondContact O-CA 3.47Å; I167-F189 VanDerWaalsContact O-CB 3.29Å; I167-F189 WeakPolarHBondContact O-CB 3.48Å; I167-A190 PolarHBondContact O-N 3.16Å; I167-I217 HydrophobicContact CD1-CB 3.99Å; I167-I217 HydrophobicContact CD1-CD1 3.91Å; I167-I217 HydrophobicContact CD1-CG1 4.39Å; I167-V219 HydrophobicContact CG2-CB 4.33Å; I167-V219 HydrophobicContact CG2-CG2 3.64Å
168V98.5Very high94.8Very high0 Ų042.7 Ų42.70%024%0.24CC..EExtended strand (participates in β ladder)trans-116.3129.6-169.8-171.50000110.9A190 I192 L207 V211 A216 I217 L218 V219 L236V168-A190 CarbonylContact C-O 3.49Å; V168-A190 VanDerWaalsContact CA-O 3.32Å; V168-A190 WeakPolarHBondContact CA-O 3.3Å; V168-A190 HydrophobicContact CG1-CB 4.38Å; V168-A190 HydrophobicContact CG2-CB 4.24Å; V168-I192 HydrophobicContact CG1-CD1 4.11Å; V168-I192 HydrophobicContact CG1-CG1 4.19Å; V168-L207 HydrophobicContact CG1-CD1 4.48Å; V168-V211 HydrophobicContact CG2-CG1 4.15Å; V168-A216 HydrophobicContact CG2-CB 4.19Å; V168-I217 PolarHBondContact N-O 3.17Å; V168-L218 HydrophobicContact CB-CD2 3.74Å; V168-L218 HydrophobicContact CB-CG 4.33Å; V168-L218 HydrophobicContact CG1-CD2 3.62Å; V168-L218 CarbonylContact O-C 3.59Å; V168-L218 VanDerWaalsContact O-CA 3.31Å; V168-L218 WeakPolarHBondContact O-CA 3.46Å; V168-V219 PolarHBondContact O-N 2.84Å; V168-L236 HydrophobicContact CG1-CD1 4.45Å; V168-L236 HydrophobicContact CG1-CD2 4.15Å; V168-L236 HydrophobicContact CG2-CD1 4.37Å; V168-L236 HydrophobicContact CG2-CD2 4.02Å
169S97.1Very high94.7Very high0 Ų041.1 Ų41.10%023%0.233CC..EExtended strand (participates in β ladder)trans-90.9127.2168.6-164.50000110D171 G174 A190 I192S169-D171 VanDerWaalsContact CB-O 3.27Å; S169-D171 WeakPolarHBondContact CB-O 3.19Å; S169-D171 PolarHBondContact O-N 3.42Å; S169-D171 PolarHBondContact OG-O 3.16Å; S169-G174 VanDerWaalsContact OG-C 3.3Å; S169-G174 VanDerWaalsContact OG-CA 3.24Å; S169-G174 WeakPolarHBondContact OG-CA 3.48Å; S169-A190 PolarHBondContact N-O 2.89Å; S169-I192 PolarHBondContact O-N 3.09Å
170P94Very high94.6Very high1 Ų142.9 Ų42.91%0.00625%0.245CC..SBendtrans-71.5-14.7179.229.3-34.8000113.8L218 V219 D220 T228 A232P170-L218 HydrophobicContact CB-CD2 4.2Å; P170-V219 VanDerWaalsContact CD-O 3.31Å; P170-V219 WeakPolarHBondContact CD-O 3.28Å; P170-D220 HydrophobicContact CG-CB 4.08Å; P170-D220 WeakPolarHBondContact CG-OD2 3.47Å; P170-T228 HydrophobicContact CB-CG2 3.85Å; P170-A232 HydrophobicContact CB-CB 4.17Å
171D89.2Confident94.7Very high52 Ų5239.9 Ų39.928%0.27823%0.226SC..SBendtrans-146.2170.216966.763.3000111.9S169 G173 G174 I192S169-D171 VanDerWaalsContact CB-O 3.27Å; S169-D171 WeakPolarHBondContact CB-O 3.19Å; S169-D171 PolarHBondContact O-N 3.42Å; S169-D171 PolarHBondContact OG-O 3.16Å; D171-G173 VanDerWaalsContact C-N 3.26Å; D171-G173 PolarHBondContact O-N 2.52Å; D171-G173 VanDerWaalsContact OD1-CA 3.29Å; D171-G173 WeakPolarHBondContact OD1-CA 3.42Å; D171-G173 PolarHBondContact OD1-N 3.17Å; D171-G174 PolarHBondContact OD1-N 3.2Å; D171-I192 VanDerWaalsContact CA-O 3.27Å; D171-I192 WeakPolarHBondContact CA-O 3.43Å
172A86.3Confident94.8Very high53 Ų5335.2 Ų35.244%0.43820%0.201SC..G310 helixtrans-70.1-18.5-177.900000114.1G174 A175A172-G174 VanDerWaalsContact C-N 3.34Å; A172-A175 WeakPolarHBondContact O-CB 3.48Å; A172-A175 PolarHBondContact O-N 3.2Å
173G86.8Confident94.8Very high69 Ų6938.5 Ų38.571%0.71122%0.222SC*.G310 helixtrans-68.6-33.1179.100000112.7D171 A175D171-G173 VanDerWaalsContact C-N 3.26Å; D171-G173 PolarHBondContact O-N 2.52Å; D171-G173 VanDerWaalsContact OD1-CA 3.29Å; D171-G173 WeakPolarHBondContact OD1-CA 3.42Å; D171-G173 PolarHBondContact OD1-N 3.17Å; G173-A175 VanDerWaalsContact C-N 3.26Å; G173-A175 PolarHBondContact O-N 2.91Å
174G90.1Very high94.7Very high2 Ų237.3 Ų37.32%0.02121%0.212CC..G310 helixtrans-78.12.4177.500000115.6S169 D171 A172 K176 R177 V178S169-G174 VanDerWaalsContact OG-C 3.3Å; S169-G174 VanDerWaalsContact OG-CA 3.24Å; S169-G174 WeakPolarHBondContact OG-CA 3.48Å; D171-G174 PolarHBondContact OD1-N 3.2Å; A172-G174 VanDerWaalsContact C-N 3.34Å; G174-K176 VanDerWaalsContact C-N 3.34Å; G174-K176 PolarHBondContact O-N 3.25Å; G174-R177 WeakPolarHBondContact O-CB 3.32Å; G174-R177 PolarHBondContact O-N 2.93Å; G174-R177 VanDerWaalsContact O-N 3.1Å; G174-V178 PolarHBondContact O-N 3.1Å
175A93Very high94.7Very high24 Ų2434.7 Ų34.720%0.19820%0.198CC..Hα-helixtrans-56.7-41.6-172.100000113.9A172 G173 R177 V178 T179 L191A172-A175 WeakPolarHBondContact O-CB 3.48Å; A172-A175 PolarHBondContact O-N 3.2Å; G173-A175 VanDerWaalsContact C-N 3.26Å; G173-A175 PolarHBondContact O-N 2.91Å; A175-R177 PolarHBondContact O-N 3.26Å; A175-V178 PolarHBondContact O-N 3.25Å; A175-T179 WeakPolarHBondContact O-CB 3.42Å; A175-T179 PolarHBondContact O-N 3.2Å; A175-T179 PolarHBondContact O-OG1 3.22Å; A175-L191 HydrophobicContact CB-CD1 3.92Å; A175-L191 HydrophobicContact CB-CD2 3.73Å
176K93Very high94.7Very high182 Ų18241.9 Ų41.979%0.79124%0.236SC*.Hα-helixtrans-62.6-42.8178-70.7-173.7177.7-175.90112.4G174 S180G174-K176 VanDerWaalsContact C-N 3.34Å; G174-K176 PolarHBondContact O-N 3.25Å; K176-S180 WeakPolarHBondContact O-CB 3.28Å; K176-S180 PolarHBondContact O-N 3.21Å
177R94.1Very high94.7Very high47 Ų4742.7 Ų42.718%0.17724%0.241CC..Hα-helixtrans-62.7-48179.3-175.2-170.7-54.6124.8-2.5110.7G174 A175 S180 I181 V219 D220 D221G174-R177 WeakPolarHBondContact O-CB 3.32Å; G174-R177 PolarHBondContact O-N 2.93Å; G174-R177 VanDerWaalsContact O-N 3.1Å; A175-R177 PolarHBondContact O-N 3.26Å; R177-S180 PolarHBondContact O-N 3.4Å; R177-I181 HydrophobicContact CG-CD1 4.35Å; R177-I181 WeakPolarHBondContact O-CG1 3.19Å; R177-I181 PolarHBondContact O-N 3.42Å; R177-V219 HydrophobicContact CG-CG1 4.4Å; R177-D220 IonicContact CZ-OD1 2.71Å; R177-D220 IonicContact NH1-OD1 2.71Å; R177-D220 PolarHBondContact NH1-OD1 3.19Å; R177-D221 VanDerWaalsContact CZ-N 3.35Å; R177-D221 IonicContact CZ-OD1 2.89Å; R177-D221 VanDerWaalsContact NH1-N 3.19Å; R177-D221 IonicContact NH1-OD1 3.17Å; R177-D221 PolarHBondContact NH1-OD1 3.22Å; R177-D221 VanDerWaalsContact NH2-CB 3.3Å; R177-D221 IonicContact NH2-OD1 3.09Å; R177-D221 PolarHBondContact NH2-OD1 2.92Å
178V95.8Very high94.6Very high0 Ų046.9 Ų46.90%026%0.264CS..Hα-helixtrans-66.8-41.8-178.8159.60000112.1I167 G174 A175 I181 A182 F189 V219I167-V178 HydrophobicContact CB-CG1 4.03Å; I167-V178 HydrophobicContact CG2-CB 4.2Å; I167-V178 HydrophobicContact CG2-CG1 3.76Å; I167-V178 HydrophobicContact CG2-CG2 4.04Å; I167-V178 VanDerWaalsContact O-CG1 3.24Å; I167-V178 WeakPolarHBondContact O-CG1 3.4Å; G174-V178 PolarHBondContact O-N 3.1Å; A175-V178 PolarHBondContact O-N 3.25Å; V178-I181 PolarHBondContact O-N 2.84Å; V178-A182 VanDerWaalsContact O-CB 3.29Å; V178-A182 WeakPolarHBondContact O-CB 3.5Å; V178-A182 PolarHBondContact O-N 3.48Å; V178-F189 HydrophobicContact CG1-CB 3.63Å; V178-F189 HydrophobicContact CG1-CD2 4.3Å; V178-F189 HydrophobicContact CG1-CG 4.29Å; V178-V219 HydrophobicContact CG2-CB 4.05Å
179T95.8Very high94.6Very high38 Ų3851 Ų5123%0.23328%0.282CS..Hα-helixtrans-63.2-44.2176.7-490000111A175 I181 A182 D183 F189A175-T179 WeakPolarHBondContact O-CB 3.42Å; A175-T179 PolarHBondContact O-N 3.2Å; A175-T179 PolarHBondContact O-OG1 3.22Å; T179-I181 VanDerWaalsContact C-N 3.32Å; T179-I181 PolarHBondContact O-N 2.83Å; T179-A182 PolarHBondContact O-N 3Å; T179-D183 WeakPolarHBondContact O-CB 3.28Å; T179-D183 PolarHBondContact O-N 2.76Å; T179-F189 HydrophobicContact CG2-CD1 4.44Å; T179-F189 HydrophobicContact CG2-CE1 4.14Å
180S95.2Very high94.6Very high39 Ų3951 Ų5127%0.27328%0.282SS..Hα-helixtrans-55.8-45.1176.6-1740000112.6E148 K176 R177 R184E148-S180 PolarHBondContact OE1-OG 2.84Å; E148-S180 VanDerWaalsContact OE2-CB 3.31Å; E148-S180 WeakPolarHBondContact OE2-CB 3.28Å; E148-S180 PolarHBondContact OE2-OG 3.35Å; K176-S180 WeakPolarHBondContact O-CB 3.28Å; K176-S180 PolarHBondContact O-N 3.21Å; R177-S180 PolarHBondContact O-N 3.4Å; S180-R184 WeakPolarHBondContact O-CG 3.46Å; S180-R184 PolarHBondContact O-N 2.69Å
181I97.3Very high94.7Very high3 Ų352.7 Ų52.72%0.01529%0.291CS..Hα-helixtrans-68.4-45.2178-68.4165.5000111.1E148 I151 L152 I167 R177 V178 T179 D183 R184 L185 V219E148-I181 HydrophobicContact CG-CD1 4.34Å; E148-I181 HydrophobicContact CG-CG1 3.63Å; I151-I181 HydrophobicContact CG2-CD1 4.46Å; L152-I181 HydrophobicContact CD2-CG2 4.02Å; I167-I181 HydrophobicContact CD1-CG2 4.19Å; I167-I181 HydrophobicContact CG1-CG2 4.08Å; I167-I181 HydrophobicContact CG2-CB 4.37Å; I167-I181 HydrophobicContact CG2-CG2 4.13Å; R177-I181 HydrophobicContact CG-CD1 4.35Å; R177-I181 WeakPolarHBondContact O-CG1 3.19Å; R177-I181 PolarHBondContact O-N 3.42Å; V178-I181 PolarHBondContact O-N 2.84Å; T179-I181 VanDerWaalsContact C-N 3.32Å; T179-I181 PolarHBondContact O-N 2.83Å; I181-D183 PolarHBondContact O-N 2.88Å; I181-R184 PolarHBondContact O-N 3.25Å; I181-L185 HydrophobicContact CG2-CD1 3.84Å; I181-L185 HydrophobicContact CG2-CG 4.43Å; I181-L185 WeakPolarHBondContact O-CB 3.37Å; I181-L185 WeakPolarHBondContact O-CG 3.49Å; I181-L185 PolarHBondContact O-N 3.45Å; I181-V219 HydrophobicContact CD1-CB 4.41Å; I181-V219 HydrophobicContact CD1-CG1 3.67Å; I181-V219 HydrophobicContact CD1-CG2 4.3Å
182A97.9Very high94.9Very high0 Ų050.2 Ų50.20%028%0.278CS..Hα-helixtrans-60.8-44.718000000111.7I167 V178 T179 R184 L185 N186 V187 F189I167-A182 HydrophobicContact CB-CB 4.19Å; I167-A182 HydrophobicContact CG1-CB 3.99Å; V178-A182 VanDerWaalsContact O-CB 3.29Å; V178-A182 WeakPolarHBondContact O-CB 3.5Å; V178-A182 PolarHBondContact O-N 3.48Å; T179-A182 PolarHBondContact O-N 3Å; A182-R184 PolarHBondContact O-N 3.11Å; A182-L185 CarbonylContact O-C 3.6Å; A182-L185 PolarHBondContact O-N 2.79Å; A182-N186 WeakPolarHBondContact O-CA 3.35Å; A182-N186 PolarHBondContact O-N 3.24Å; A182-V187 HydrophobicContact CB-CG2 4.39Å; A182-V187 WeakPolarHBondContact CB-O 3.28Å; A182-V187 PolarHBondContact O-N 3.06Å; A182-F189 HydrophobicContact CB-CB 3.83Å; A182-F189 HydrophobicContact CB-CD1 4.44Å
183D97.4Very high95Very high112 Ų11252.3 Ų52.360%0.59928%0.278SS*.Hα-helixtrans-60.9-44.6177-70-17000111.5T179 I181 L185 N186T179-D183 WeakPolarHBondContact O-CB 3.28Å; T179-D183 PolarHBondContact O-N 2.76Å; I181-D183 PolarHBondContact O-N 2.88Å; D183-L185 VanDerWaalsContact C-N 3.3Å; D183-L185 PolarHBondContact O-N 3.38Å; D183-N186 PolarHBondContact O-N 2.92Å; D183-N186 VanDerWaalsContact O-N 3.13Å
184R96.1Very high94.7Very high97 Ų9751.8 Ų51.837%0.36626%0.256SS..Hα-helixtrans-72.5-21.8179-72.8-177.5175-166.1-7.3114E148 L152 S180 I181 A182 F313 S314E148-R184 WeakPolarHBondContact OE1-CD 3.28Å; E148-R184 IonicContact OE1-CZ 3.54Å; E148-R184 IonicContact OE1-NE 3.56Å; E148-R184 PolarHBondContact OE1-NE 3.34Å; E148-R184 IonicContact OE1-NH1 2.62Å; E148-R184 PolarHBondContact OE1-NH1 3.45Å; L152-R184 HydrophobicContact CD1-CB 3.82Å; L152-R184 VanDerWaalsContact CD1-CD 3.47Å; L152-R184 HydrophobicContact CD1-CG 4.31Å; L152-R184 HydrophobicContact CD2-CB 3.92Å; S180-R184 WeakPolarHBondContact O-CG 3.46Å; S180-R184 PolarHBondContact O-N 2.69Å; I181-R184 PolarHBondContact O-N 3.25Å; A182-R184 PolarHBondContact O-N 3.11Å; R184-F313 PolarHBondContact NH1-O 2.98Å; R184-F313 PolarHBondContact NH2-O 3.13Å; R184-S314 PolarHBondContact NH2-OG 3.39Å
185L96.9Very high93.7Very high9 Ų955.2 Ų55.25%0.04727%0.272CS..Hα-helixtrans-89.6-12.9170.5-69.3178.3000112.5L152 V155 K156 W162 I167 I181 A182 D183 V187L152-L185 HydrophobicContact CD2-CD1 4.18Å; L152-L185 HydrophobicContact CD2-CD2 3.68Å; L152-L185 HydrophobicContact CD2-CG 3.54Å; V155-L185 HydrophobicContact CB-CD1 4.41Å; V155-L185 HydrophobicContact CG1-CD1 3.85Å; V155-L185 HydrophobicContact CG1-CD2 4.34Å; K156-L185 HydrophobicContact CD-CD2 4.46Å; K156-L185 HydrophobicContact CG-CD2 4.08Å; W162-L185 HydrophobicContact CE3-CD2 4.08Å; W162-L185 HydrophobicContact CZ3-CB 4.2Å; W162-L185 HydrophobicContact CZ3-CD2 3.91Å; I167-L185 HydrophobicContact CD1-CD1 3.79Å; I167-L185 HydrophobicContact CG1-CD1 4.37Å; I181-L185 HydrophobicContact CG2-CD1 3.84Å; I181-L185 HydrophobicContact CG2-CG 4.43Å; I181-L185 WeakPolarHBondContact O-CB 3.37Å; I181-L185 WeakPolarHBondContact O-CG 3.49Å; I181-L185 PolarHBondContact O-N 3.45Å; A182-L185 CarbonylContact O-C 3.6Å; A182-L185 PolarHBondContact O-N 2.79Å; D183-L185 VanDerWaalsContact C-N 3.3Å; D183-L185 PolarHBondContact O-N 3.38Å; L185-V187 VanDerWaalsContact C-N 3.33Å; L185-V187 HydrophobicContact CB-CG1 4.16Å; L185-V187 HydrophobicContact CB-CG2 3.77Å; L185-V187 HydrophobicContact CD1-CG2 4.44Å
186N97.3Very high92.3Very high151 Ų15163 Ų6381%0.80730%0.296SS*.THydrogen-bonded Turntrans52.351.1-170.3-171.563.2000111.9A182 D183A182-N186 WeakPolarHBondContact O-CA 3.35Å; A182-N186 PolarHBondContact O-N 3.24Å; D183-N186 PolarHBondContact O-N 2.92Å; D183-N186 VanDerWaalsContact O-N 3.13Å
187V98Very high90.5Very high18 Ų1861.1 Ų61.111%0.10929%0.288CS..  trans-130.3167.8177.2-59.10000110A165 I167 A182 L185A165-V187 WeakPolarHBondContact O-CB 3.48Å; I167-V187 HydrophobicContact CD1-CG2 4.16Å; I167-V187 HydrophobicContact CG1-CG2 3.75Å; A182-V187 HydrophobicContact CB-CG2 4.39Å; A182-V187 WeakPolarHBondContact CB-O 3.28Å; A182-V187 PolarHBondContact O-N 3.06Å; L185-V187 VanDerWaalsContact C-N 3.33Å; L185-V187 HydrophobicContact CB-CG1 4.16Å; L185-V187 HydrophobicContact CB-CG2 3.77Å; L185-V187 HydrophobicContact CD1-CG2 4.44Å
188D97.6Very high88.7Confident88 Ų8867.7 Ų67.747%0.47131%0.312SS..EExtended strand (participates in β ladder)trans-76.1164.5178.6-64.4-48.7000112C166 I167 R214C166-D188 WeakPolarHBondContact CA-O 3.34Å; I167-D188 PolarHBondContact N-O 3.47Å; D188-R214 IonicContact OD2-CZ 2.78Å; D188-R214 IonicContact OD2-NH1 3.65Å; D188-R214 PolarHBondContact OD2-NH1 3.44Å; D188-R214 IonicContact OD2-NH2 2.79Å; D188-R214 PolarHBondContact OD2-NH2 3.31Å
189F97.7Very high86.8Confident86 Ų8672.6 Ų72.638%0.37735%0.353SS..EExtended strand (participates in β ladder)trans-127.8158.4170.974.1-87.9000112.6C166 I167 V178 T179 A182 L191C166-F189 VanDerWaalsContact SG-C 3.55Å; I167-F189 CarbonylContact O-C 3.56Å; I167-F189 WeakPolarHBondContact O-CA 3.47Å; I167-F189 VanDerWaalsContact O-CB 3.29Å; I167-F189 WeakPolarHBondContact O-CB 3.48Å; V178-F189 HydrophobicContact CG1-CB 3.63Å; V178-F189 HydrophobicContact CG1-CD2 4.3Å; V178-F189 HydrophobicContact CG1-CG 4.29Å; T179-F189 HydrophobicContact CG2-CD1 4.44Å; T179-F189 HydrophobicContact CG2-CE1 4.14Å; A182-F189 HydrophobicContact CB-CB 3.83Å; A182-F189 HydrophobicContact CB-CD1 4.44Å; F189-L191 HydrophobicContact CD2-CD2 4.3Å; F189-L191 HydrophobicContact CD2-CG 4.29Å; F189-L191 HydrophobicContact CE2-CD1 4.38Å; F189-L191 HydrophobicContact CE2-CD2 4.49Å; F189-L191 HydrophobicContact CE2-CG 4.22Å
190A97.7Very high84.9Confident0 Ų078.8 Ų78.80%039%0.385CS..EExtended strand (participates in β ladder)trans-135.3156.7173.100000111.2I167 V168 S169 L207 V208 V211I167-A190 PolarHBondContact O-N 3.16Å; V168-A190 CarbonylContact C-O 3.49Å; V168-A190 VanDerWaalsContact CA-O 3.32Å; V168-A190 WeakPolarHBondContact CA-O 3.3Å; V168-A190 HydrophobicContact CG1-CB 4.38Å; V168-A190 HydrophobicContact CG2-CB 4.24Å; S169-A190 PolarHBondContact N-O 2.89Å; A190-L207 HydrophobicContact CB-CD1 3.87Å; A190-V208 CarbonylContact C-O 3.57Å; A190-V208 WeakPolarHBondContact CA-O 3.43Å; A190-V208 WeakPolarHBondContact CB-O 3.49Å; A190-V211 HydrophobicContact CB-CG1 4.2Å
191L96Very high82.9Confident36 Ų3681.4 Ų81.419%0.18839%0.393CS..EExtended strand (participates in β ladder)trans-125.7136.8178.1-56.2176.9000109.6A175 F189 V208A175-L191 HydrophobicContact CB-CD1 3.92Å; A175-L191 HydrophobicContact CB-CD2 3.73Å; F189-L191 HydrophobicContact CD2-CD2 4.3Å; F189-L191 HydrophobicContact CD2-CG 4.29Å; F189-L191 HydrophobicContact CE2-CD1 4.38Å; F189-L191 HydrophobicContact CE2-CD2 4.49Å; F189-L191 HydrophobicContact CE2-CG 4.22Å; L191-V208 PolarHBondContact N-O 2.84Å; L191-V208 PolarHBondContact O-N 2.92Å
192I93.9Very high80.7Confident1 Ų188.1 Ų88.11%0.00543%0.433CS..EExtended strand (participates in β ladder)trans-96.4112.6169.4-64.8171.2000108.1V168 S169 D171 M205 V206 L207 L218 A232V168-I192 HydrophobicContact CG1-CD1 4.11Å; V168-I192 HydrophobicContact CG1-CG1 4.19Å; S169-I192 PolarHBondContact O-N 3.09Å; D171-I192 VanDerWaalsContact CA-O 3.27Å; D171-I192 WeakPolarHBondContact CA-O 3.43Å; I192-M205 HydrophobicContact CG2-CB 3.83Å; I192-M205 HydrophobicContact CG2-CG 4.07Å; I192-M205 HydrophobicContact CG2-SD 4.02Å; I192-V206 WeakPolarHBondContact CA-O 3.32Å; I192-L207 HydrophobicContact CG1-CD1 3.79Å; I192-L218 HydrophobicContact CD1-CD2 4.47Å; I192-A232 HydrophobicContact CD1-CB 3.43Å; I192-A232 VanDerWaalsContact CD1-CB 3.43Å
193H88.4Confident78.9Confident97 Ų9791.5 Ų91.545%0.44945%0.449SS..EExtended strand (participates in β ladder)trans-93.7128.7176.5-17169.9000110.4M205 V206H193-M205 WeakPolarHBondContact O-CA 3.33Å; H193-V206 PolarHBondContact N-O 3.03Å; H193-V206 PolarHBondContact O-N 3.33Å
194K80Confident77.8Confident58 Ų5894.2 Ų94.225%0.25245%0.451SS..EExtended strand (participates in β ladder)trans-91.9106.8174.8-61.5-177.2-172.3-1790109.4M205K194-M205 HydrophobicContact CD-CE 4.31Å; K194-M205 HydrophobicContact CG-CE 4.38Å; K194-M205 HydrophobicContact CG-CG 4.28Å
195E69.4Low77.1Confident74 Ų7490.7 Ų90.735%0.34644%0.439SS..EExtended strand (participates in β ladder)trans-86.9117.7175.1-160-174.2175.900109.6R204E195-R204 PolarHBondContact N-O 3.26Å; E195-R204 PolarHBondContact O-N 3.14Å
196R62.7Low76.7Confident187 Ų18792.9 Ų92.971%0.70645%0.452SS*.  trans-106.3100.5172.9-70.3179.1176.7176.3-0.3108.8E203R196-E203 HydrophobicContact CG-CG 4.21Å; R196-E203 IonicContact CZ-OE1 3.9Å; R196-E203 IonicContact NE-OE1 3.77Å; R196-E203 PolarHBondContact NE-OE1 3.44Å; R196-E203 IonicContact NH2-OE1 3.99Å; R196-E203 PolarHBondContact NH2-OE1 3.33Å
197K55.1Low76.6Confident142 Ų14287.7 Ų87.762%0.61743%0.425SS*.  trans-73.2-38.7179.4-76.9-172.3176.8-174.20112.9E201K197-E201 WeakPolarHBondContact CB-OE2 3.3Å
198R56Low76.4Confident185 Ų18590.9 Ų90.970%0.69844%0.444SS*.SBendtrans-150.1162.2176.5-69-173.6175.7166.3-3.7111.5N200 E201R198-N200 PolarHBondContact O-N 3.45Å; R198-E201 HydrophobicContact CB-CB 4.43Å; R198-E201 HydrophobicContact CB-CG 4.1Å; R198-E201 WeakPolarHBondContact CD-OE1 3.33Å; R198-E201 PolarHBondContact O-N 3.26Å
199A56.9Low76.2Confident103 Ų10388.9 Ų88.985%0.85144%0.444SS*.THydrogen-bonded Turntrans-60.2-4.9-174.900000116.4
200N55.2Low76.1Confident168 Ų16889.7 Ų89.790%0.89845%0.452SS*.THydrogen-bonded Turntrans-140.511.5178.8-71.3-39.1000113.1R198R198-N200 PolarHBondContact O-N 3.45Å
201E52.9Low76.1Confident95 Ų9589.7 Ų89.744%0.44445%0.452SS..SBendtrans-90.6152.9177.6-77.9178.9-167.800111.2K197 R198 E203K197-E201 WeakPolarHBondContact CB-OE2 3.3Å; R198-E201 HydrophobicContact CB-CB 4.43Å; R198-E201 HydrophobicContact CB-CG 4.1Å; R198-E201 WeakPolarHBondContact CD-OE1 3.33Å; R198-E201 PolarHBondContact O-N 3.26Å; E201-E203 PolarHBondContact O-N 2.96Å
202V51.5Low76.2Confident143 Ų14393.9 Ų93.987%0.86747%0.469SS*.  trans-58.2122.8179.2-179.20000109.4R204V202-R204 PolarHBondContact O-N 3.31Å; V202-R204 VanDerWaalsContact O-N 3.12Å
203E61.4Low76.4Confident72 Ų7299 Ų9934%0.33650%0.496SS..  trans-58.2115.2173.6-66.3-169.3155.900109.3R196 E201R196-E203 HydrophobicContact CG-CG 4.21Å; R196-E203 IonicContact CZ-OE1 3.9Å; R196-E203 IonicContact NE-OE1 3.77Å; R196-E203 PolarHBondContact NE-OE1 3.44Å; R196-E203 IonicContact NH2-OE1 3.99Å; R196-E203 PolarHBondContact NH2-OE1 3.33Å; E201-E203 PolarHBondContact O-N 2.96Å
204R72.3Confident76.8Confident168 Ų16896.7 Ų96.763%0.63448%0.484SS*.EExtended strand (participates in β ladder)trans-86.6121.6170.8-169-180-178.6-179.81.2108.1E195 V202 V206E195-R204 PolarHBondContact N-O 3.26Å; E195-R204 PolarHBondContact O-N 3.14Å; V202-R204 PolarHBondContact O-N 3.31Å; V202-R204 VanDerWaalsContact O-N 3.12Å; R204-V206 HydrophobicContact CG-CG2 4.33Å
205M82.6Confident77.7Confident24 Ų2494 Ų9412%0.11847%0.472CS..EExtended strand (participates in β ladder)trans-89.6122.9169-68.6-170.4-172.400109.1I192 H193 K194 L231 K235I192-M205 HydrophobicContact CG2-CB 3.83Å; I192-M205 HydrophobicContact CG2-CG 4.07Å; I192-M205 HydrophobicContact CG2-SD 4.02Å; H193-M205 WeakPolarHBondContact O-CA 3.33Å; K194-M205 HydrophobicContact CD-CE 4.31Å; K194-M205 HydrophobicContact CG-CE 4.38Å; K194-M205 HydrophobicContact CG-CG 4.28Å; M205-L231 HydrophobicContact CE-CB 3.85Å; M205-L231 HydrophobicContact CE-CD1 3.89Å; M205-L231 HydrophobicContact SD-CB 4.1Å; M205-K235 HydrophobicContact CB-CD 4.34Å; M205-K235 HydrophobicContact CB-CG 4.09Å
206V89.2Confident79.1Confident54 Ų5490.4 Ų90.433%0.32746%0.456SS..EExtended strand (participates in β ladder)trans-110.6122.6175.4-178.70000108I192 H193 R204I192-V206 WeakPolarHBondContact CA-O 3.32Å; H193-V206 PolarHBondContact N-O 3.03Å; H193-V206 PolarHBondContact O-N 3.33Å; R204-V206 HydrophobicContact CG-CG2 4.33Å
207L93.8Very high80.8Confident43 Ų4381.5 Ų81.523%0.22542%0.422CS..EExtended strand (participates in β ladder)trans-79.1124.8170.8-178.567.1000108.9V168 A190 I192 V211 L236 A239V168-L207 HydrophobicContact CG1-CD1 4.48Å; A190-L207 HydrophobicContact CB-CD1 3.87Å; I192-L207 HydrophobicContact CG1-CD1 3.79Å; L207-V211 HydrophobicContact CD2-CG1 4.2Å; L207-V211 HydrophobicContact CD2-CG2 3.65Å; L207-L236 HydrophobicContact CD1-CD2 4.14Å; L207-L236 HydrophobicContact CD2-CD2 4.34Å; L207-A239 HydrophobicContact CD2-CB 3.55Å
208V94.3Very high82.9Confident84 Ų8474.8 Ų74.851%0.50939%0.393SS..EExtended strand (participates in β ladder)trans-109.1109.5172.3-1790000107.3A190 L191A190-V208 CarbonylContact C-O 3.57Å; A190-V208 WeakPolarHBondContact CA-O 3.43Å; A190-V208 WeakPolarHBondContact CB-O 3.49Å; L191-V208 PolarHBondContact N-O 2.84Å; L191-V208 PolarHBondContact O-N 2.92Å
209G94.2Very high84.9Confident47 Ų4766 Ų6649%0.48536%0.36SS..SBendtrans123.8173.2-171.400000111.1
210D94.9Very high86.7Confident102 Ų10261.9 Ų61.955%0.54532%0.323SS..  trans-117.8131179.4-168.78000110.9K212D210-K212 VanDerWaalsContact OD1-CB 3.29Å; D210-K212 WeakPolarHBondContact OD1-CB 3.4Å; D210-K212 PolarHBondContact OD1-N 3.4Å
211V97.3Very high88.6Confident0 Ų054.3 Ų54.30%028%0.283CS..  trans-127.52.9180-580000111.7C166 V168 A190 L207 D213 R214 L236 A239 A241C166-V211 HydrophobicContact CB-CG1 4.09Å; V168-V211 HydrophobicContact CG2-CG1 4.15Å; A190-V211 HydrophobicContact CB-CG1 4.2Å; L207-V211 HydrophobicContact CD2-CG1 4.2Å; L207-V211 HydrophobicContact CD2-CG2 3.65Å; V211-D213 PolarHBondContact O-N 2.87Å; V211-R214 WeakPolarHBondContact O-CB 3.25Å; V211-R214 PolarHBondContact O-N 3Å; V211-L236 HydrophobicContact CB-CD2 4.2Å; V211-L236 HydrophobicContact CG1-CD2 3.8Å; V211-L236 HydrophobicContact CG2-CD2 3.83Å; V211-A239 HydrophobicContact CG2-CB 3.53Å; V211-A241 HydrophobicContact CB-CB 4.37Å; V211-A241 HydrophobicContact CG2-CB 4.15Å; V211-A241 VanDerWaalsContact O-CA 3.29Å; V211-A241 WeakPolarHBondContact O-CA 3.47Å
212K98.1Very high90.7Very high124 Ų12451.8 Ų51.854%0.53927%0.271SS..THydrogen-bonded Turntrans-64.5128.8-175.4-172.3-173.3172.2-173.70110.5D210 R214 G240D210-K212 VanDerWaalsContact OD1-CB 3.29Å; D210-K212 WeakPolarHBondContact OD1-CB 3.4Å; D210-K212 PolarHBondContact OD1-N 3.4Å; K212-R214 WeakPolarHBondContact O-CG 3.38Å; K212-R214 PolarHBondContact O-N 2.95Å; K212-G240 WeakPolarHBondContact CA-O 3.35Å
213D97.7Very high92.8Very high108 Ų10845 Ų4558%0.57823%0.231SC*.THydrogen-bonded Turntrans58.729.6-178.6-51.6-48.7000112.8N164 V211 G240N164-D213 PolarHBondContact ND2-O 3.35Å; N164-D213 VanDerWaalsContact ND2-O 3.15Å; V211-D213 PolarHBondContact O-N 2.87Å; D213-G240 PolarHBondContact N-O 3.3Å
214R97.9Very high94.5Very high50 Ų5043.7 Ų43.719%0.18923%0.226CC..SBendtrans-125.4160.4-179.2-63.5-177.5112.6-178.45.4112.7N164 D188 V211 K212 A216 E242N164-R214 WeakPolarHBondContact O-CB 3.31Å; N164-R214 PolarHBondContact OD1-NE 2.61Å; N164-R214 VanDerWaalsContact OD1-NE 3.13Å; D188-R214 IonicContact OD2-CZ 2.78Å; D188-R214 IonicContact OD2-NH1 3.65Å; D188-R214 PolarHBondContact OD2-NH1 3.44Å; D188-R214 IonicContact OD2-NH2 2.79Å; D188-R214 PolarHBondContact OD2-NH2 3.31Å; V211-R214 WeakPolarHBondContact O-CB 3.25Å; V211-R214 PolarHBondContact O-N 3Å; K212-R214 WeakPolarHBondContact O-CG 3.38Å; K212-R214 PolarHBondContact O-N 2.95Å; R214-A216 PolarHBondContact O-N 3.36Å; R214-E242 PolarHBondContact O-N 3.05Å
215V98.4Very high95.6Very high0 Ų038.3 Ų38.30%021%0.212CC..EExtended strand (participates in β ladder)trans-78.8110.4170.5179.30000108.9I159 N161 N164 A165 C166 I217 R243 F245I159-V215 HydrophobicContact CG2-CG1 3.91Å; N161-V215 HydrophobicContact CB-CG2 4.37Å; N164-V215 PolarHBondContact O-N 3.24Å; A165-V215 CarbonylContact C-O 3.58Å; A165-V215 WeakPolarHBondContact CA-O 3.49Å; A165-V215 HydrophobicContact CB-CB 4.13Å; A165-V215 HydrophobicContact CB-CG1 4.42Å; A165-V215 WeakPolarHBondContact CB-O 3.48Å; C166-V215 PolarHBondContact N-O 3.27Å; V215-I217 HydrophobicContact CG1-CG1 4.19Å; V215-R243 CarbonylContact C-O 3.6Å; V215-F245 HydrophobicContact CG1-CD2 3.69Å; V215-F245 HydrophobicContact CG1-CE2 3.68Å
216A98.6Very high96.2Very high0 Ų037.4 Ų37.40%021%0.208CC..EExtended strand (participates in β ladder)trans-90124.8177.200000110.7V168 R214 L236 A241 R243 I244 F245V168-A216 HydrophobicContact CG2-CB 4.19Å; R214-A216 PolarHBondContact O-N 3.36Å; A216-L236 HydrophobicContact CB-CB 4.47Å; A216-L236 HydrophobicContact CB-CD1 3.79Å; A216-L236 HydrophobicContact CB-CD2 4.17Å; A216-L236 HydrophobicContact CB-CG 4.37Å; A216-A241 HydrophobicContact CB-CB 3.94Å; A216-R243 PolarHBondContact N-O 2.9Å; A216-I244 HydrophobicContact CB-CG1 4.44Å; A216-I244 WeakPolarHBondContact O-CA 3.26Å; A216-F245 PolarHBondContact O-N 3.26Å
217I98.7Very high96.4Very high0 Ų035.5 Ų35.50%020%0.199CC..EExtended strand (participates in β ladder)trans-115.2100.7178.2-53.8173.7000108.2V155 I159 A165 C166 I167 V168 V215 V219 F245 I247V155-I217 HydrophobicContact CG1-CD1 3.93Å; V155-I217 HydrophobicContact CG2-CD1 4.35Å; I159-I217 HydrophobicContact CD1-CD1 3.72Å; I159-I217 HydrophobicContact CD1-CG1 4.2Å; I159-I217 HydrophobicContact CG2-CD1 4.36Å; A165-I217 HydrophobicContact CB-CD1 3.78Å; A165-I217 HydrophobicContact CB-CG1 4.25Å; C166-I217 PolarHBondContact O-N 3.09Å; I167-I217 HydrophobicContact CD1-CB 3.99Å; I167-I217 HydrophobicContact CD1-CD1 3.91Å; I167-I217 HydrophobicContact CD1-CG1 4.39Å; V168-I217 PolarHBondContact N-O 3.17Å; V215-I217 HydrophobicContact CG1-CG1 4.19Å; I217-V219 HydrophobicContact CG2-CG2 4.07Å; I217-V219 PolarHBondContact O-N 3.11Å; I217-F245 HydrophobicContact CG1-CB 4.42Å; I217-F245 HydrophobicContact CG2-CB 4.43Å; I217-I247 HydrophobicContact CG2-CD1 3.73Å; I217-I247 HydrophobicContact CG2-CG1 3.84Å
218L98.5Very high96.3Very high1 Ų135.6 Ų35.61%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-69.2127.3173.2-79.2166.3000109.7V168 P170 I192 A232 A233 L236 I244 F245 A246 I247 F266V168-L218 HydrophobicContact CB-CD2 3.74Å; V168-L218 HydrophobicContact CB-CG 4.33Å; V168-L218 HydrophobicContact CG1-CD2 3.62Å; V168-L218 CarbonylContact O-C 3.59Å; V168-L218 VanDerWaalsContact O-CA 3.31Å; V168-L218 WeakPolarHBondContact O-CA 3.46Å; P170-L218 HydrophobicContact CB-CD2 4.2Å; I192-L218 HydrophobicContact CD1-CD2 4.47Å; L218-A232 HydrophobicContact CD1-CB 3.78Å; L218-A232 HydrophobicContact CD2-CB 3.86Å; L218-A233 HydrophobicContact CD1-CB 4.28Å; L218-L236 HydrophobicContact CD1-CD1 3.77Å; L218-L236 HydrophobicContact CD2-CD1 4.02Å; L218-L236 HydrophobicContact CG-CD1 3.68Å; L218-I244 HydrophobicContact CD1-CG2 4.47Å; L218-F245 PolarHBondContact N-O 3.35Å; L218-A246 HydrophobicContact CB-CB 4.34Å; L218-A246 CarbonylContact O-C 3.56Å; L218-A246 VanDerWaalsContact O-CA 3.3Å; L218-A246 WeakPolarHBondContact O-CA 3.19Å; L218-I247 PolarHBondContact O-N 3.35Å; L218-F266 HydrophobicContact CD1-CE1 3.77Å; L218-F266 HydrophobicContact CD1-CZ 3.75Å
219V98.3Very high96.4Very high1 Ų131.9 Ų31.91%0.00618%0.179CC..EExtended strand (participates in β ladder)trans-123.7131.1177.3-175.40000111.1I167 V168 P170 R177 V178 I181 I217 I247I167-V219 HydrophobicContact CG2-CB 4.33Å; I167-V219 HydrophobicContact CG2-CG2 3.64Å; V168-V219 PolarHBondContact O-N 2.84Å; P170-V219 VanDerWaalsContact CD-O 3.31Å; P170-V219 WeakPolarHBondContact CD-O 3.28Å; R177-V219 HydrophobicContact CG-CG1 4.4Å; V178-V219 HydrophobicContact CG2-CB 4.05Å; I181-V219 HydrophobicContact CD1-CB 4.41Å; I181-V219 HydrophobicContact CD1-CG1 3.67Å; I181-V219 HydrophobicContact CD1-CG2 4.3Å; I217-V219 HydrophobicContact CG2-CG2 4.07Å; I217-V219 PolarHBondContact O-N 3.11Å; V219-I247 VanDerWaalsContact CA-O 3.29Å; V219-I247 WeakPolarHBondContact CA-O 3.3Å; V219-I247 HydrophobicContact CG2-CB 4.42Å
220D95.6Very high96.5Very high16 Ų1630.9 Ų30.99%0.08616%0.164CC..EExtended strand (participates in β ladder)trans-143.9168175.4-147.9-7.9000112.4P170 R177 I247 C248 V249P170-D220 HydrophobicContact CG-CB 4.08Å; P170-D220 WeakPolarHBondContact CG-OD2 3.47Å; R177-D220 IonicContact CZ-OD1 2.71Å; R177-D220 IonicContact NH1-OD1 2.71Å; R177-D220 PolarHBondContact NH1-OD1 3.19Å; D220-I247 PolarHBondContact N-O 3.16Å; D220-I247 VanDerWaalsContact N-O 3.09Å; D220-C248 VanDerWaalsContact O-CA 3.31Å; D220-C248 WeakPolarHBondContact O-CA 3.3Å; D220-V249 PolarHBondContact O-N 2.78Å
221D95.2Very high96.4Very high9 Ų930.8 Ų30.85%0.04816%0.163CC..EExtended strand (participates in β ladder)trans-72.4-38.8171.749.6-71.5000111.5H130 R177 V249 H250H130-D221 IonicContact CE1-OD2 3.55Å; H130-D221 IonicContact CG-OD2 3.55Å; H130-D221 IonicContact ND1-OD1 3.61Å; H130-D221 IonicContact ND1-OD2 3.8Å; H130-D221 PolarHBondContact ND1-OD2 2.85Å; R177-D221 VanDerWaalsContact CZ-N 3.35Å; R177-D221 IonicContact CZ-OD1 2.89Å; R177-D221 VanDerWaalsContact NH1-N 3.19Å; R177-D221 IonicContact NH1-OD1 3.17Å; R177-D221 PolarHBondContact NH1-OD1 3.22Å; R177-D221 VanDerWaalsContact NH2-CB 3.3Å; R177-D221 IonicContact NH2-OD1 3.09Å; R177-D221 PolarHBondContact NH2-OD1 2.92Å; D221-V249 CarbonylContact O-C 3.49Å; D221-V249 WeakPolarHBondContact O-CA 3.48Å; D221-V249 WeakPolarHBondContact O-CB 3.36Å; D221-V249 PolarHBondContact O-N 3.3Å; D221-V249 VanDerWaalsContact O-N 3.1Å; D221-H250 PolarHBondContact O-CD2 2.75Å; D221-H250 PolarHBondContact O-N 2.91Å
222M96.5Very high96.3Very high41 Ų4130.8 Ų30.820%0.20216%0.163CC..EExtended strand (participates in β ladder)trans-145.6133.6-171-175.8169.36300113.9R96 H250 V252R96-M222 HydrophobicContact CG-CE 3.77Å; M222-H250 CarbonylContact C-O 3.55Å; M222-H250 VanDerWaalsContact CA-O 3.29Å; M222-H250 WeakPolarHBondContact CA-O 3.45Å; M222-H250 HydrophobicContact CB-CB 4.09Å; M222-H250 HydrophobicContact CG-CB 3.91Å; M222-H250 WeakPolarHBondContact CG-O 3.5Å; M222-H250 HydrophobicContact SD-CB 4.4Å; M222-V252 HydrophobicContact CG-CG2 3.89Å; M222-V252 HydrophobicContact SD-CG2 3.48Å; M222-V252 WeakPolarHBondContact SD-CG2 3.27Å
223A96.3Very high96.2Very high2 Ų224.9 Ų24.92%0.01714%0.138CC..EExtended strand (participates in β ladder)trans-102.297.9168.900000110.3I229 C248 H250 V252 F253A223-I229 HydrophobicContact CB-CD1 4.21Å; A223-C248 HydrophobicContact CB-CB 3.81Å; A223-H250 PolarHBondContact N-O 3.39Å; A223-V252 PolarHBondContact O-N 3.33Å; A223-F253 HydrophobicContact CB-CD1 4.12Å; A223-F253 HydrophobicContact CB-CE1 3.6Å; A223-F253 HydrophobicContact CB-CZ 4.43Å; A223-F253 PolarHBondContact O-N 2.85Å
224D96Very high96.1Very high44 Ų4424 Ų2424%0.23513%0.13CC..SBendtrans-90.4-99.9178.2-17818000111.3R96 C226 F253 S254 A257R96-D224 IonicContact NH1-OD2 3.76Å; D224-C226 PolarHBondContact O-N 2.8Å; D224-C226 VanDerWaalsContact O-N 3.15Å; D224-F253 CarbonylContact O-C 3.59Å; D224-F253 VanDerWaalsContact O-CA 3.22Å; D224-F253 WeakPolarHBondContact O-CA 3.36Å; D224-F253 PolarHBondContact O-N 3.46Å; D224-S254 PolarHBondContact O-N 2.74Å; D224-S254 VanDerWaalsContact O-N 3.16Å; D224-S254 VanDerWaalsContact OD1-CB 3.25Å; D224-S254 WeakPolarHBondContact OD1-CB 3.4Å; D224-S254 PolarHBondContact OD1-OG 3.28Å; D224-A257 WeakPolarHBondContact O-CB 3.36Å
225T95.6Very high95.9Very high55 Ų5524.8 Ų24.834%0.33713%0.134SC..SBendtrans-74.9-1.7177.368.30000114G227 R260T225-G227 PolarHBondContact O-N 2.64Å; T225-R260 WeakPolarHBondContact O-CD 3.37Å; T225-R260 PolarHBondContact O-NH1 2.92Å; T225-R260 PolarHBondContact OG1-NH1 2.91Å
226C96.2Very high95.9Very high4 Ų424.8 Ų24.83%0.02713%0.134CC..SBendtrans56.68.4-174.4-62.10000116.4D224 T228 I229 C230 F253 A257 L261D224-C226 PolarHBondContact O-N 2.8Å; D224-C226 VanDerWaalsContact O-N 3.15Å; C226-T228 PolarHBondContact O-N 3.09Å; C226-I229 HydrophobicContact CB-CD1 4.02Å; C226-I229 HydrophobicContact CB-CG1 3.96Å; C226-I229 WeakPolarHBondContact O-CG1 3.04Å; C226-C230 WeakPolarHBondContact O-CB 3.34Å; C226-C230 PolarHBondContact O-N 3.11Å; C226-C230 PolarHBondContact O-SG 2.98Å; C226-F253 VanDerWaalsContact SG-CD1 3.53Å; C226-A257 HydrophobicContact CB-CB 4.17Å; C226-L261 HydrophobicContact CB-CD2 3.92Å; C226-L261 HydrophobicContact CB-CG 4.27Å
227G93.2Very high95.9Very high14 Ų1427.7 Ų27.714%0.14415%0.152CC..Hα-helixtrans-61.9-46.9-179.500000112.6T225 L231T225-G227 PolarHBondContact O-N 2.64Å; G227-L231 WeakPolarHBondContact O-CB 3.4Å; G227-L231 VanDerWaalsContact O-CG 3.31Å; G227-L231 WeakPolarHBondContact O-CG 3.45Å; G227-L231 PolarHBondContact O-N 3.3Å; G227-L231 VanDerWaalsContact O-N 3.1Å
228T91.8Very high95.7Very high46 Ų4633.3 Ų33.328%0.28218%0.179SC..Hα-helixtrans-60.2-50.7179.4-600000111.7P170 C226 L231 A232P170-T228 HydrophobicContact CB-CG2 3.85Å; C226-T228 PolarHBondContact O-N 3.09Å; T228-L231 PolarHBondContact O-N 2.86Å; T228-A232 WeakPolarHBondContact O-CB 3.48Å; T228-A232 PolarHBondContact O-N 3.19Å
229I95.3Very high95.7Very high6 Ų635 Ų353%0.03119%0.193CC..Hα-helixtrans-70-34.4-17663.4173.6000112.6A223 C226 A232 A233 A246 L261 F266A223-I229 HydrophobicContact CB-CD1 4.21Å; C226-I229 HydrophobicContact CB-CD1 4.02Å; C226-I229 HydrophobicContact CB-CG1 3.96Å; C226-I229 WeakPolarHBondContact O-CG1 3.04Å; I229-A232 PolarHBondContact O-N 2.94Å; I229-A233 WeakPolarHBondContact O-CB 3.33Å; I229-A233 PolarHBondContact O-N 3.15Å; I229-A246 HydrophobicContact CD1-CB 4.47Å; I229-L261 HydrophobicContact CD1-CD2 4.26Å; I229-F266 HydrophobicContact CB-CE2 4.45Å; I229-F266 HydrophobicContact CB-CZ 4.12Å; I229-F266 HydrophobicContact CD1-CE2 4.33Å; I229-F266 HydrophobicContact CG1-CE2 4.21Å; I229-F266 HydrophobicContact CG1-CZ 4.36Å; I229-F266 WeakPolarHBondContact O-CZ 3.47Å
230C96Very high95.6Very high25 Ų2536.4 Ų36.417%0.16921%0.207CC..Hα-helixtrans-69.5-39175.9-69.80000112.2C226 A232 A233 Q234C226-C230 WeakPolarHBondContact O-CB 3.34Å; C226-C230 PolarHBondContact O-N 3.11Å; C226-C230 PolarHBondContact O-SG 2.98Å; C230-A232 VanDerWaalsContact C-N 3.35Å; C230-A233 PolarHBondContact O-N 3.34Å; C230-Q234 PolarHBondContact O-N 3.17Å
231L93.1Very high95.8Very high100 Ų10036.4 Ų36.452%0.52421%0.209SC..Hα-helixtrans-64.9-41.6173.3-72.5171.1000111.3M205 G227 T228 Q234 K235M205-L231 HydrophobicContact CE-CB 3.85Å; M205-L231 HydrophobicContact CE-CD1 3.89Å; M205-L231 HydrophobicContact SD-CB 4.1Å; G227-L231 WeakPolarHBondContact O-CB 3.4Å; G227-L231 VanDerWaalsContact O-CG 3.31Å; G227-L231 WeakPolarHBondContact O-CG 3.45Å; G227-L231 PolarHBondContact O-N 3.3Å; G227-L231 VanDerWaalsContact O-N 3.1Å; T228-L231 PolarHBondContact O-N 2.86Å; L231-Q234 PolarHBondContact O-N 2.66Å; L231-K235 PolarHBondContact O-N 3.19Å; L231-K235 VanDerWaalsContact O-N 3.12Å
232A95.1Very high95.8Very high0 Ų041.2 Ų41.20%023%0.232CC..Hα-helixtrans-59.5-46.1173.700000111.6P170 I192 L218 T228 I229 C230 Q234 K235 L236P170-A232 HydrophobicContact CB-CB 4.17Å; I192-A232 HydrophobicContact CD1-CB 3.43Å; I192-A232 VanDerWaalsContact CD1-CB 3.43Å; L218-A232 HydrophobicContact CD1-CB 3.78Å; L218-A232 HydrophobicContact CD2-CB 3.86Å; T228-A232 WeakPolarHBondContact O-CB 3.48Å; T228-A232 PolarHBondContact O-N 3.19Å; I229-A232 PolarHBondContact O-N 2.94Å; C230-A232 VanDerWaalsContact C-N 3.35Å; A232-Q234 VanDerWaalsContact C-N 3.32Å; A232-Q234 PolarHBondContact O-N 2.92Å; A232-K235 WeakPolarHBondContact O-CB 3.41Å; A232-K235 PolarHBondContact O-N 3.37Å; A232-K235 VanDerWaalsContact O-N 3.08Å; A232-L236 WeakPolarHBondContact O-CG 3.28Å; A232-L236 PolarHBondContact O-N 3.23Å
233A97Very high95.9Very high1 Ų142.1 Ų42.11%0.00823%0.233CC..Hα-helixtrans-58.7-42.2176.700000112.2L218 I229 C230 K235 L236 V237 I244 V265 F266L218-A233 HydrophobicContact CD1-CB 4.28Å; I229-A233 WeakPolarHBondContact O-CB 3.33Å; I229-A233 PolarHBondContact O-N 3.15Å; C230-A233 PolarHBondContact O-N 3.34Å; A233-K235 VanDerWaalsContact C-N 3.3Å; A233-K235 PolarHBondContact O-N 3.05Å; A233-L236 WeakPolarHBondContact O-CB 3.3Å; A233-L236 PolarHBondContact O-N 3.07Å; A233-L236 VanDerWaalsContact O-N 3.13Å; A233-V237 PolarHBondContact O-N 3.22Å; A233-I244 HydrophobicContact CB-CG2 4.12Å; A233-I244 WeakPolarHBondContact O-CD1 3.27Å; A233-V265 HydrophobicContact CB-CG2 3.79Å; A233-F266 HydrophobicContact CB-CD1 4.46Å; A233-F266 HydrophobicContact CB-CE1 3.85Å; A233-F266 HydrophobicContact CB-CE2 3.96Å; A233-F266 HydrophobicContact CB-CZ 3.56Å
234Q95.3Very high96Very high90 Ų9042.4 Ų42.442%0.42123%0.234SC..Hα-helixtrans-61.5-39.6175.8-1725940.100112C230 L231 A232 L236 V237 E238C230-Q234 PolarHBondContact O-N 3.17Å; L231-Q234 PolarHBondContact O-N 2.66Å; A232-Q234 VanDerWaalsContact C-N 3.32Å; A232-Q234 PolarHBondContact O-N 2.92Å; Q234-L236 VanDerWaalsContact C-N 3.3Å; Q234-L236 PolarHBondContact O-N 3.44Å; Q234-V237 PolarHBondContact O-N 2.96Å; Q234-E238 WeakPolarHBondContact O-CG 3.34Å; Q234-E238 PolarHBondContact O-N 2.86Å
235K94.5Very high96.2Very high65 Ų6540.4 Ų40.428%0.28322%0.223SC..Hα-helixtrans-66.1-33.2175.4-69.8-70.8161.2-139.70112.9M205 L231 A232 A233 E238 A239M205-K235 HydrophobicContact CB-CD 4.34Å; M205-K235 HydrophobicContact CB-CG 4.09Å; L231-K235 PolarHBondContact O-N 3.19Å; L231-K235 VanDerWaalsContact O-N 3.12Å; A232-K235 WeakPolarHBondContact O-CB 3.41Å; A232-K235 PolarHBondContact O-N 3.37Å; A232-K235 VanDerWaalsContact O-N 3.08Å; A233-K235 VanDerWaalsContact C-N 3.3Å; A233-K235 PolarHBondContact O-N 3.05Å; K235-E238 IonicContact NZ-OE1 3.72Å; K235-E238 PolarHBondContact NZ-OE1 2.9Å; K235-E238 IonicContact NZ-OE2 2.81Å; K235-E238 PolarHBondContact NZ-OE2 3.27Å; K235-E238 PolarHBondContact O-N 3.18Å; K235-A239 WeakPolarHBondContact O-CB 3.36Å; K235-A239 PolarHBondContact O-N 3.16Å
236L97.8Very high96.3Very high0 Ų037.8 Ų37.80%021%0.207CC..Hα-helixtrans-68-38.4174-65.8171.4000111.8V168 L207 V211 A216 L218 A232 A233 Q234 A239 G240 A241 I244V168-L236 HydrophobicContact CG1-CD1 4.45Å; V168-L236 HydrophobicContact CG1-CD2 4.15Å; V168-L236 HydrophobicContact CG2-CD1 4.37Å; V168-L236 HydrophobicContact CG2-CD2 4.02Å; L207-L236 HydrophobicContact CD1-CD2 4.14Å; L207-L236 HydrophobicContact CD2-CD2 4.34Å; V211-L236 HydrophobicContact CB-CD2 4.2Å; V211-L236 HydrophobicContact CG1-CD2 3.8Å; V211-L236 HydrophobicContact CG2-CD2 3.83Å; A216-L236 HydrophobicContact CB-CB 4.47Å; A216-L236 HydrophobicContact CB-CD1 3.79Å; A216-L236 HydrophobicContact CB-CD2 4.17Å; A216-L236 HydrophobicContact CB-CG 4.37Å; L218-L236 HydrophobicContact CD1-CD1 3.77Å; L218-L236 HydrophobicContact CD2-CD1 4.02Å; L218-L236 HydrophobicContact CG-CD1 3.68Å; A232-L236 WeakPolarHBondContact O-CG 3.28Å; A232-L236 PolarHBondContact O-N 3.23Å; A233-L236 WeakPolarHBondContact O-CB 3.3Å; A233-L236 PolarHBondContact O-N 3.07Å; A233-L236 VanDerWaalsContact O-N 3.13Å; Q234-L236 VanDerWaalsContact C-N 3.3Å; Q234-L236 PolarHBondContact O-N 3.44Å; L236-A239 CarbonylContact O-C 3.54Å; L236-A239 PolarHBondContact O-N 2.65Å; L236-G240 PolarHBondContact O-N 2.99Å; L236-A241 HydrophobicContact CB-CB 4.03Å; L236-A241 VanDerWaalsContact O-CB 3.25Å; L236-A241 WeakPolarHBondContact O-CB 3.42Å; L236-A241 PolarHBondContact O-N 3.33Å; L236-I244 HydrophobicContact CB-CD1 3.76Å; L236-I244 HydrophobicContact CB-CG1 4.29Å; L236-I244 HydrophobicContact CD1-CG2 4.03Å
237V97.4Very high96.4Very high62 Ų6237.7 Ų37.738%0.37621%0.206SC..Hα-helixtrans-61.7-47.3171.5176.20000111.1A233 Q234 A239 G240 I244 V265A233-V237 PolarHBondContact O-N 3.22Å; Q234-V237 PolarHBondContact O-N 2.96Å; V237-A239 PolarHBondContact O-N 3.48Å; V237-G240 PolarHBondContact O-N 3.45Å; V237-I244 HydrophobicContact CG2-CD1 3.43Å; V237-I244 VanDerWaalsContact CG2-CD1 3.43Å; V237-V265 HydrophobicContact CG2-CB 4.16Å; V237-V265 HydrophobicContact CG2-CG1 4.17Å; V237-V265 HydrophobicContact CG2-CG2 3.76Å
238E96.3Very high96.7Very high118 Ų11837 Ų3755%0.55120%0.2SC*.Hα-helixtrans-60.2-31.4177.2-69.9171.5-151.600112.6Q234 K235 G240Q234-E238 WeakPolarHBondContact O-CG 3.34Å; Q234-E238 PolarHBondContact O-N 2.86Å; K235-E238 IonicContact NZ-OE1 3.72Å; K235-E238 PolarHBondContact NZ-OE1 2.9Å; K235-E238 IonicContact NZ-OE2 2.81Å; K235-E238 PolarHBondContact NZ-OE2 3.27Å; K235-E238 PolarHBondContact O-N 3.18Å; E238-G240 VanDerWaalsContact C-N 3.27Å
239A96.8Very high97Very high36 Ų3634.9 Ų34.930%0.29819%0.186SC..THydrogen-bonded Turntrans-82-1.6175.600000113.8L207 V211 K235 L236 V237L207-A239 HydrophobicContact CD2-CB 3.55Å; V211-A239 HydrophobicContact CG2-CB 3.53Å; K235-A239 WeakPolarHBondContact O-CB 3.36Å; K235-A239 PolarHBondContact O-N 3.16Å; L236-A239 CarbonylContact O-C 3.54Å; L236-A239 PolarHBondContact O-N 2.65Å; V237-A239 PolarHBondContact O-N 3.48Å
240G97.6Very high97.1Very high30 Ų3034.9 Ų34.931%0.30919%0.186SC..THydrogen-bonded Turntrans86.424175.900000115.1K212 D213 L236 V237 E238 E242K212-G240 WeakPolarHBondContact CA-O 3.35Å; D213-G240 PolarHBondContact N-O 3.3Å; L236-G240 PolarHBondContact O-N 2.99Å; V237-G240 PolarHBondContact O-N 3.45Å; E238-G240 VanDerWaalsContact C-N 3.27Å; G240-E242 PolarHBondContact O-N 3.44Å
241A98Very high97.2Very high16 Ų1633.7 Ų33.713%0.13218%0.178CC..  trans-60.1135.4172.500000111.5V211 A216 L236 I244V211-A241 HydrophobicContact CB-CB 4.37Å; V211-A241 HydrophobicContact CG2-CB 4.15Å; V211-A241 VanDerWaalsContact O-CA 3.29Å; V211-A241 WeakPolarHBondContact O-CA 3.47Å; A216-A241 HydrophobicContact CB-CB 3.94Å; L236-A241 HydrophobicContact CB-CB 4.03Å; L236-A241 VanDerWaalsContact O-CB 3.25Å; L236-A241 WeakPolarHBondContact O-CB 3.42Å; L236-A241 PolarHBondContact O-N 3.33Å; A241-I244 HydrophobicContact CB-CD1 4.34Å; A241-I244 HydrophobicContact CB-CG1 4.03Å
242E97.1Very high97.4Very high111 Ų11131.2 Ų31.252%0.51917%0.167SC..SBendtrans-73.1-48.8-176.9-172.1-162.7154.700111.1R214 G240R214-E242 PolarHBondContact O-N 3.05Å; G240-E242 PolarHBondContact O-N 3.44Å
243R97.9Very high97.6Very high60 Ų6031.7 Ų31.723%0.22617%0.169CC..EExtended strand (participates in β ladder)trans-142143.8-179.7-64.9174.172.4-161.97.5109.2V215 A216 F245 E267V215-R243 CarbonylContact C-O 3.6Å; A216-R243 PolarHBondContact N-O 2.9Å; R243-F245 HydrophobicContact CB-CE2 4.02Å; R243-E267 IonicContact CZ-OE1 3.18Å; R243-E267 IonicContact NE-OE1 2.67Å; R243-E267 IonicContact NH2-OE1 2.77Å; R243-E267 PolarHBondContact NH2-OE1 3.3Å
244I98.6Very high97.5Very high7 Ų733.9 Ų33.94%0.03618%0.184CC..EExtended strand (participates in β ladder)trans-125.4124-174.5-53170.4000109.6A216 L218 A233 L236 V237 A241 V265 F266 E267A216-I244 HydrophobicContact CB-CG1 4.44Å; A216-I244 WeakPolarHBondContact O-CA 3.26Å; L218-I244 HydrophobicContact CD1-CG2 4.47Å; A233-I244 HydrophobicContact CB-CG2 4.12Å; A233-I244 WeakPolarHBondContact O-CD1 3.27Å; L236-I244 HydrophobicContact CB-CD1 3.76Å; L236-I244 HydrophobicContact CB-CG1 4.29Å; L236-I244 HydrophobicContact CD1-CG2 4.03Å; V237-I244 HydrophobicContact CG2-CD1 3.43Å; V237-I244 VanDerWaalsContact CG2-CD1 3.43Å; A241-I244 HydrophobicContact CB-CD1 4.34Å; A241-I244 HydrophobicContact CB-CG1 4.03Å; I244-V265 HydrophobicContact CD1-CG2 3.89Å; I244-F266 HydrophobicContact CB-CD1 4.39Å; I244-F266 HydrophobicContact CG2-CD1 3.71Å; I244-F266 HydrophobicContact CG2-CE1 3.59Å; I244-F266 WeakPolarHBondContact O-CA 3.4Å; I244-E267 PolarHBondContact O-N 3.37Å
245F98.7Very high97.4Very high2 Ų233 Ų331%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-115.6154.8173.3-63-95.5000109.3I159 V215 A216 I217 L218 R243 E267 A268I159-F245 HydrophobicContact CD1-CB 4.3Å; I159-F245 HydrophobicContact CD1-CD1 4.18Å; I159-F245 HydrophobicContact CD1-CD2 4.41Å; I159-F245 HydrophobicContact CD1-CG 4.04Å; I159-F245 HydrophobicContact CG1-CD1 4.27Å; I159-F245 HydrophobicContact CG1-CE1 4.28Å; I159-F245 HydrophobicContact CG2-CD2 4.09Å; I159-F245 HydrophobicContact CG2-CE2 3.77Å; I159-F245 HydrophobicContact CG2-CZ 4.03Å; V215-F245 HydrophobicContact CG1-CD2 3.69Å; V215-F245 HydrophobicContact CG1-CE2 3.68Å; A216-F245 PolarHBondContact O-N 3.26Å; I217-F245 HydrophobicContact CG1-CB 4.42Å; I217-F245 HydrophobicContact CG2-CB 4.43Å; L218-F245 PolarHBondContact N-O 3.35Å; R243-F245 HydrophobicContact CB-CE2 4.02Å; F245-E267 HydrophobicContact CD1-CB 4.13Å; F245-E267 HydrophobicContact CD1-CG 4.48Å; F245-E267 HydrophobicContact CE1-CB 3.74Å; F245-E267 HydrophobicContact CE1-CG 3.62Å; F245-E267 HydrophobicContact CE2-CB 4.33Å; F245-E267 HydrophobicContact CZ-CB 3.85Å; F245-E267 HydrophobicContact CZ-CG 3.65Å; F245-A268 WeakPolarHBondContact CA-O 3.48Å; F245-A268 HydrophobicContact CD1-CB 3.98Å; F245-A268 HydrophobicContact CE1-CB 4.23Å
246A98.6Very high97.5Very high0 Ų032.7 Ų32.70%020%0.204CC..EExtended strand (participates in β ladder)trans-121.5140.7164.400000109.6L218 I229 F266 A268 V269 V270L218-A246 HydrophobicContact CB-CB 4.34Å; L218-A246 CarbonylContact O-C 3.56Å; L218-A246 VanDerWaalsContact O-CA 3.3Å; L218-A246 WeakPolarHBondContact O-CA 3.19Å; I229-A246 HydrophobicContact CD1-CB 4.47Å; A246-F266 HydrophobicContact CB-CD1 4.01Å; A246-F266 HydrophobicContact CB-CE1 3.54Å; A246-F266 HydrophobicContact CB-CE2 4.48Å; A246-F266 HydrophobicContact CB-CZ 3.82Å; A246-A268 PolarHBondContact N-O 2.95Å; A246-V269 HydrophobicContact CB-CG1 4.22Å; A246-V269 HydrophobicContact CB-CG2 4.38Å; A246-V269 CarbonylContact O-C 3.41Å; A246-V269 WeakPolarHBondContact O-CA 3.4Å; A246-V270 PolarHBondContact O-N 3.35Å
247I98.7Very high97.5Very high2 Ų232.7 Ų32.71%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-128.8112.7172.1-50.7-174.4000107.9I151 Y154 V155 I159 I217 L218 V219 D220 V270I151-I247 HydrophobicContact CB-CG2 4.45Å; I151-I247 HydrophobicContact CD1-CG2 3.92Å; I151-I247 HydrophobicContact CG1-CG2 3.8Å; I151-I247 HydrophobicContact CG2-CD1 3.93Å; I151-I247 HydrophobicContact CG2-CG2 3.93Å; Y154-I247 HydrophobicContact CD1-CD1 4.48Å; V155-I247 HydrophobicContact CG2-CD1 3.58Å; I159-I247 HydrophobicContact CD1-CD1 4.35Å; I217-I247 HydrophobicContact CG2-CD1 3.73Å; I217-I247 HydrophobicContact CG2-CG1 3.84Å; L218-I247 PolarHBondContact O-N 3.35Å; V219-I247 VanDerWaalsContact CA-O 3.29Å; V219-I247 WeakPolarHBondContact CA-O 3.3Å; V219-I247 HydrophobicContact CG2-CB 4.42Å; D220-I247 PolarHBondContact N-O 3.16Å; D220-I247 VanDerWaalsContact N-O 3.09Å; I247-V270 CarbonylContact C-O 3.48Å; I247-V270 VanDerWaalsContact CA-O 3.26Å; I247-V270 WeakPolarHBondContact CA-O 3.31Å; I247-V270 HydrophobicContact CB-CB 4.49Å; I247-V270 HydrophobicContact CG1-CB 4.09Å; I247-V270 HydrophobicContact CG1-CG2 4.3Å; I247-V270 HydrophobicContact CG2-CB 4.34Å
248C98.2Very high97.6Very high1 Ų131 Ų311%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-124.8132.4178-63.80000110.1D220 A223 H250 V270 V271D220-C248 VanDerWaalsContact O-CA 3.31Å; D220-C248 WeakPolarHBondContact O-CA 3.3Å; A223-C248 HydrophobicContact CB-CB 3.81Å; C248-H250 PolarHBondContact O-N 3.14Å; C248-V270 PolarHBondContact N-O 3.44Å; C248-V271 HydrophobicContact CB-CG1 4.25Å; C248-V271 WeakPolarHBondContact O-CA 3.42Å; C248-V271 WeakPolarHBondContact O-CB 3.36Å; C248-V271 WeakPolarHBondContact O-CG1 3.3Å
249V98.3Very high97.7Very high0 Ų029.6 Ų29.60%019%0.192CC..EExtended strand (participates in β ladder)trans-63-50.5-176.1-175.70000110.8M127 D128 A147 I151 D220 D221 T272 T274M127-V249 HydrophobicContact CG-CG1 4.15Å; M127-V249 HydrophobicContact SD-CG1 4.4Å; D128-V249 HydrophobicContact CB-CB 3.92Å; D128-V249 HydrophobicContact CB-CG1 3.81Å; D128-V249 HydrophobicContact CB-CG2 3.88Å; A147-V249 HydrophobicContact CB-CG1 3.83Å; A147-V249 HydrophobicContact CB-CG2 3.98Å; I151-V249 HydrophobicContact CD1-CG2 4.08Å; D220-V249 PolarHBondContact O-N 2.78Å; D221-V249 CarbonylContact O-C 3.49Å; D221-V249 WeakPolarHBondContact O-CA 3.48Å; D221-V249 WeakPolarHBondContact O-CB 3.36Å; D221-V249 PolarHBondContact O-N 3.3Å; D221-V249 VanDerWaalsContact O-N 3.1Å; V249-T272 HydrophobicContact CG1-CG2 3.94Å; V249-T272 WeakPolarHBondContact O-CB 3.42Å; V249-T272 PolarHBondContact O-N 3.27Å; V249-T272 VanDerWaalsContact O-N 3.1Å; V249-T272 PolarHBondContact O-OG1 2.95Å; V249-T274 HydrophobicContact CG1-CG2 4.31Å; V249-T274 PolarHBondContact O-OG1 2.89Å
250H98.5Very high97.7Very high7 Ų732.6 Ų32.63%0.03220%0.196CC..EExtended strand (participates in β ladder)trans-101.9108.4-180-49.1-57.3000111.3P90 M127 D128 D221 M222 A223 C248 V252 T274 I275P90-H250 PolarHBondContact O-CE1 3.35Å; M127-H250 PolarHBondContact O-CE1 2.98Å; M127-H250 PolarHBondContact O-NE2 3.04Å; M127-H250 VanDerWaalsContact O-NE2 3.09Å; D128-H250 PolarHBondContact O-NE2 2.83Å; D221-H250 PolarHBondContact O-CD2 2.75Å; D221-H250 PolarHBondContact O-N 2.91Å; M222-H250 CarbonylContact C-O 3.55Å; M222-H250 VanDerWaalsContact CA-O 3.29Å; M222-H250 WeakPolarHBondContact CA-O 3.45Å; M222-H250 HydrophobicContact CB-CB 4.09Å; M222-H250 HydrophobicContact CG-CB 3.91Å; M222-H250 WeakPolarHBondContact CG-O 3.5Å; M222-H250 HydrophobicContact SD-CB 4.4Å; A223-H250 PolarHBondContact N-O 3.39Å; C248-H250 PolarHBondContact O-N 3.14Å; H250-V252 PolarHBondContact O-N 3.16Å; H250-T274 PolarHBondContact ND1-OG1 2.79Å; H250-I275 HydrophobicContact CB-CD1 4.24Å
251G98.1Very high97.7Very high0 Ų031.1 Ų31.10%018%0.181CC..EExtended strand (participates in β ladder)trans-88.885.6173.800000112.3Q277G251-Q277 PolarHBondContact O-NE2 2.75Å
252V97.8Very high97.7Very high48 Ų4833.6 Ų33.629%0.29119%0.192SC..  trans-78-40.3178.9173.20000111.5M222 A223 H250 S254 I275M222-V252 HydrophobicContact CG-CG2 3.89Å; M222-V252 HydrophobicContact SD-CG2 3.48Å; M222-V252 WeakPolarHBondContact SD-CG2 3.27Å; A223-V252 PolarHBondContact O-N 3.33Å; H250-V252 PolarHBondContact O-N 3.16Å; V252-S254 VanDerWaalsContact C-N 3.34Å; V252-S254 PolarHBondContact O-N 3.01Å; V252-I275 HydrophobicContact CB-CD1 4.35Å; V252-I275 HydrophobicContact CG2-CD1 3.46Å; V252-I275 VanDerWaalsContact CG2-CD1 3.46Å
253F97.6Very high97.8Very high10 Ų1034.7 Ų34.74%0.04420%0.202CC..  trans50.745175.7-56.2-45.2000115.3A223 D224 C226 A257 L258 L261 V269 V271 N280 I287A223-F253 HydrophobicContact CB-CD1 4.12Å; A223-F253 HydrophobicContact CB-CE1 3.6Å; A223-F253 HydrophobicContact CB-CZ 4.43Å; A223-F253 PolarHBondContact O-N 2.85Å; D224-F253 CarbonylContact O-C 3.59Å; D224-F253 VanDerWaalsContact O-CA 3.22Å; D224-F253 WeakPolarHBondContact O-CA 3.36Å; D224-F253 PolarHBondContact O-N 3.46Å; C226-F253 VanDerWaalsContact SG-CD1 3.53Å; F253-A257 VanDerWaalsContact CA-CB 3.48Å; F253-A257 HydrophobicContact CB-CB 3.95Å; F253-A257 HydrophobicContact CD1-CB 4.35Å; F253-L258 HydrophobicContact CB-CD2 4.13Å; F253-L258 HydrophobicContact CG-CD2 4.39Å; F253-L261 HydrophobicContact CD1-CD1 3.92Å; F253-L261 HydrophobicContact CE1-CD1 3.6Å; F253-L261 HydrophobicContact CZ-CD1 4.16Å; F253-V269 HydrophobicContact CE1-CG1 4.2Å; F253-V269 HydrophobicContact CZ-CG1 4.04Å; F253-V271 HydrophobicContact CE1-CG1 4.37Å; F253-V271 HydrophobicContact CE2-CG1 4Å; F253-V271 HydrophobicContact CE2-CG2 4.03Å; F253-V271 HydrophobicContact CZ-CG1 3.47Å; F253-V271 VanDerWaalsContact CZ-CG1 3.47Å; F253-V271 HydrophobicContact CZ-CG2 4.29Å; F253-N280 HydrophobicContact CD2-CB 4.09Å; F253-I287 HydrophobicContact CD2-CD1 3.99Å; F253-I287 HydrophobicContact CE2-CD1 3.7Å; F253-I287 HydrophobicContact CE2-CG1 4.33Å; F253-I287 HydrophobicContact CE2-CG2 4.08Å; F253-I287 HydrophobicContact CZ-CD1 4.09Å; F253-I287 HydrophobicContact CZ-CG1 4.39Å
254S94.9Very high97.7Very high46 Ų4632.7 Ų32.732%0.32220%0.197SC..  trans-76.2156.3-179.3790000113.7D224 V252 A257D224-S254 PolarHBondContact O-N 2.74Å; D224-S254 VanDerWaalsContact O-N 3.16Å; D224-S254 VanDerWaalsContact OD1-CB 3.25Å; D224-S254 WeakPolarHBondContact OD1-CB 3.4Å; D224-S254 PolarHBondContact OD1-OG 3.28Å; V252-S254 VanDerWaalsContact C-N 3.34Å; V252-S254 PolarHBondContact O-N 3.01Å; S254-A257 VanDerWaalsContact O-CB 3.28Å; S254-A257 WeakPolarHBondContact O-CB 3.14Å; S254-A257 PolarHBondContact O-N 3.29Å
255G94.8Very high97.6Very high72 Ų7235.7 Ų35.774%0.74222%0.215SC*.THydrogen-bonded Turntrans55.7-122.6172.600000112.8A257G255-A257 PolarHBondContact O-N 3.19Å
256P96.6Very high97.6Very high58 Ų5835.8 Ų35.838%0.37722%0.216SC..THydrogen-bonded Turntrans-79.88.5-17536.3-38.8000113.9L258 T259 R260P256-L258 PolarHBondContact O-N 2.99Å; P256-T259 PolarHBondContact O-N 3.05Å; P256-R260 VanDerWaalsContact CG-CZ 3.47Å; P256-R260 WeakPolarHBondContact O-CG 3.5Å; P256-R260 PolarHBondContact O-N 2.99Å
257A97.8Very high97.6Very high0 Ų040.3 Ų40.30%024%0.237CC..Hα-helixtrans-54.7-54.4-172.300000112.9D224 C226 F253 S254 G255 T259 R260 L261D224-A257 WeakPolarHBondContact O-CB 3.36Å; C226-A257 HydrophobicContact CB-CB 4.17Å; F253-A257 VanDerWaalsContact CA-CB 3.48Å; F253-A257 HydrophobicContact CB-CB 3.95Å; F253-A257 HydrophobicContact CD1-CB 4.35Å; S254-A257 VanDerWaalsContact O-CB 3.28Å; S254-A257 WeakPolarHBondContact O-CB 3.14Å; S254-A257 PolarHBondContact O-N 3.29Å; G255-A257 PolarHBondContact O-N 3.19Å; A257-T259 VanDerWaalsContact C-N 3.32Å; A257-T259 PolarHBondContact O-N 3.34Å; A257-R260 CarbonylContact O-C 3.59Å; A257-R260 WeakPolarHBondContact O-CA 3.48Å; A257-R260 WeakPolarHBondContact O-CB 3.31Å; A257-R260 PolarHBondContact O-N 2.79Å; A257-L261 WeakPolarHBondContact O-CG 3.43Å; A257-L261 PolarHBondContact O-N 2.84Å
258L98Very high97.6Very high27 Ų2740.2 Ų40.214%0.14124%0.236CC..Hα-helixtrans-61.7-39.4-177.5-60.8179.9000112.3F253 P256 L261 N262 N280 K283 C284 I287F253-L258 HydrophobicContact CB-CD2 4.13Å; F253-L258 HydrophobicContact CG-CD2 4.39Å; P256-L258 PolarHBondContact O-N 2.99Å; L258-L261 PolarHBondContact O-N 2.82Å; L258-N262 WeakPolarHBondContact O-CB 3.23Å; L258-N262 PolarHBondContact O-N 2.97Å; L258-N262 PolarHBondContact O-ND2 3.35Å; L258-N280 HydrophobicContact CD2-CB 4.22Å; L258-K283 HydrophobicContact CD1-CB 3.81Å; L258-K283 HydrophobicContact CD1-CD 3.73Å; L258-K283 HydrophobicContact CD1-CG 4.4Å; L258-C284 HydrophobicContact CD2-CB 4.27Å; L258-I287 HydrophobicContact CD2-CD1 3.63Å
259T98.1Very high97.6Very high89 Ų8940.1 Ų40.155%0.54624%0.236SC..Hα-helixtrans-61.9-44.7173.7-53.80000111.3P256 A257 L261 N263P256-T259 PolarHBondContact O-N 3.05Å; A257-T259 VanDerWaalsContact C-N 3.32Å; A257-T259 PolarHBondContact O-N 3.34Å; T259-L261 PolarHBondContact O-N 2.78Å; T259-N263 WeakPolarHBondContact O-CB 3.49Å; T259-N263 PolarHBondContact O-N 3.04Å; T259-N263 VanDerWaalsContact O-N 3.08Å; T259-N263 PolarHBondContact O-ND2 3.25Å
260R98Very high97.6Very high98 Ų9840.1 Ų40.137%0.3724%0.236SC..Hα-helixtrans-62.4-41.7176.4-74.8173.2175.6160.50.1111.8T225 P256 A257 N263 S264T225-R260 WeakPolarHBondContact O-CD 3.37Å; T225-R260 PolarHBondContact O-NH1 2.92Å; T225-R260 PolarHBondContact OG1-NH1 2.91Å; P256-R260 VanDerWaalsContact CG-CZ 3.47Å; P256-R260 WeakPolarHBondContact O-CG 3.5Å; P256-R260 PolarHBondContact O-N 2.99Å; A257-R260 CarbonylContact O-C 3.59Å; A257-R260 WeakPolarHBondContact O-CA 3.48Å; A257-R260 WeakPolarHBondContact O-CB 3.31Å; A257-R260 PolarHBondContact O-N 2.79Å; R260-N263 CarbonylContact O-C 3.53Å; R260-N263 PolarHBondContact O-N 3.36Å; R260-S264 VanDerWaalsContact O-CB 3.26Å; R260-S264 WeakPolarHBondContact O-CB 3.46Å; R260-S264 PolarHBondContact O-N 3.5Å
261L98.2Very high97.6Very high0 Ų039.8 Ų39.80%023%0.234CC..Hα-helixtrans-69.2-44.3179.5-66.4-172.2000111.8C226 I229 F253 A257 L258 T259 N263 S264 F266 V269 K286 I287C226-L261 HydrophobicContact CB-CD2 3.92Å; C226-L261 HydrophobicContact CB-CG 4.27Å; I229-L261 HydrophobicContact CD1-CD2 4.26Å; F253-L261 HydrophobicContact CD1-CD1 3.92Å; F253-L261 HydrophobicContact CE1-CD1 3.6Å; F253-L261 HydrophobicContact CZ-CD1 4.16Å; A257-L261 WeakPolarHBondContact O-CG 3.43Å; A257-L261 PolarHBondContact O-N 2.84Å; L258-L261 PolarHBondContact O-N 2.82Å; T259-L261 PolarHBondContact O-N 2.78Å; L261-N263 VanDerWaalsContact C-N 3.26Å; L261-N263 PolarHBondContact O-N 3.41Å; L261-S264 WeakPolarHBondContact O-CB 3.23Å; L261-S264 PolarHBondContact O-N 2.49Å; L261-S264 PolarHBondContact O-OG 3.48Å; L261-F266 HydrophobicContact CD2-CD2 4.18Å; L261-F266 HydrophobicContact CD2-CE2 4.36Å; L261-V269 HydrophobicContact CD1-CB 4.38Å; L261-V269 HydrophobicContact CD1-CG1 4.13Å; L261-V269 HydrophobicContact CD1-CG2 4.24Å; L261-V269 HydrophobicContact CD2-CG2 3.91Å; L261-K286 WeakPolarHBondContact O-CD 3.45Å; L261-K286 PolarHBondContact O-NZ 2.8Å; L261-K286 VanDerWaalsContact O-NZ 3.1Å; L261-I287 HydrophobicContact CD1-CD1 4.16Å; L261-I287 HydrophobicContact CD1-CG1 4.24Å
262N98Very high97.6Very high68 Ų6839.9 Ų39.936%0.36424%0.235SC..Hα-helixtrans-57.6-41.6175-80.7-35.9000111.4L258 S264 K283 C284 K286L258-N262 WeakPolarHBondContact O-CB 3.23Å; L258-N262 PolarHBondContact O-N 2.97Å; L258-N262 PolarHBondContact O-ND2 3.35Å; N262-S264 VanDerWaalsContact C-N 3.33Å; N262-S264 PolarHBondContact O-N 2.82Å; N262-K283 PolarHBondContact ND2-O 3.26Å; N262-K283 VanDerWaalsContact ND2-O 3.12Å; N262-C284 PolarHBondContact OD1-SG 3Å; N262-K286 PolarHBondContact O-NZ 3.29Å
263N97.4Very high97.6Very high134 Ų13438 Ų3872%0.71722%0.223SC*.THydrogen-bonded Turntrans-84.2-1.7178-63.8-22.7000114.6T259 R260 L261T259-N263 WeakPolarHBondContact O-CB 3.49Å; T259-N263 PolarHBondContact O-N 3.04Å; T259-N263 VanDerWaalsContact O-N 3.08Å; T259-N263 PolarHBondContact O-ND2 3.25Å; R260-N263 CarbonylContact O-C 3.53Å; R260-N263 PolarHBondContact O-N 3.36Å; L261-N263 VanDerWaalsContact C-N 3.26Å; L261-N263 PolarHBondContact O-N 3.41Å
264S97Very high97.7Very high18 Ų1837.5 Ų37.513%0.12622%0.221CC..SBendtrans-81.3166.2-177.371.80000112.9R260 L261 N262 F266 K286R260-S264 VanDerWaalsContact O-CB 3.26Å; R260-S264 WeakPolarHBondContact O-CB 3.46Å; R260-S264 PolarHBondContact O-N 3.5Å; L261-S264 WeakPolarHBondContact O-CB 3.23Å; L261-S264 PolarHBondContact O-N 2.49Å; L261-S264 PolarHBondContact O-OG 3.48Å; N262-S264 VanDerWaalsContact C-N 3.33Å; N262-S264 PolarHBondContact O-N 2.82Å; S264-F266 VanDerWaalsContact C-N 3.27Å; S264-F266 PolarHBondContact O-N 3.17Å; S264-F266 VanDerWaalsContact OG-CD2 3.27Å; S264-F266 WeakPolarHBondContact OG-CD2 3.27Å; S264-F266 PolarHBondContact OG-N 2.94Å; S264-K286 PolarHBondContact O-NZ 3.47Å
265V96.8Very high97.9Very high70 Ų7035.8 Ų35.842%0.42421%0.208SC..  trans-81.70.1173.6-61.90000113.9A233 V237 I244 E267A233-V265 HydrophobicContact CB-CG2 3.79Å; V237-V265 HydrophobicContact CG2-CB 4.16Å; V237-V265 HydrophobicContact CG2-CG1 4.17Å; V237-V265 HydrophobicContact CG2-CG2 3.76Å; I244-V265 HydrophobicContact CD1-CG2 3.89Å; V265-E267 PolarHBondContact O-N 3.41Å
266F98.5Very high98Very high4 Ų434.7 Ų34.72%0.01819%0.188CC..  trans-62.8132.9-178.8-72.6-64.6000111.6L218 I229 A233 I244 A246 L261 S264 V269 K286L218-F266 HydrophobicContact CD1-CE1 3.77Å; L218-F266 HydrophobicContact CD1-CZ 3.75Å; I229-F266 HydrophobicContact CB-CE2 4.45Å; I229-F266 HydrophobicContact CB-CZ 4.12Å; I229-F266 HydrophobicContact CD1-CE2 4.33Å; I229-F266 HydrophobicContact CG1-CE2 4.21Å; I229-F266 HydrophobicContact CG1-CZ 4.36Å; I229-F266 WeakPolarHBondContact O-CZ 3.47Å; A233-F266 HydrophobicContact CB-CD1 4.46Å; A233-F266 HydrophobicContact CB-CE1 3.85Å; A233-F266 HydrophobicContact CB-CE2 3.96Å; A233-F266 HydrophobicContact CB-CZ 3.56Å; I244-F266 HydrophobicContact CB-CD1 4.39Å; I244-F266 HydrophobicContact CG2-CD1 3.71Å; I244-F266 HydrophobicContact CG2-CE1 3.59Å; I244-F266 WeakPolarHBondContact O-CA 3.4Å; A246-F266 HydrophobicContact CB-CD1 4.01Å; A246-F266 HydrophobicContact CB-CE1 3.54Å; A246-F266 HydrophobicContact CB-CE2 4.48Å; A246-F266 HydrophobicContact CB-CZ 3.82Å; L261-F266 HydrophobicContact CD2-CD2 4.18Å; L261-F266 HydrophobicContact CD2-CE2 4.36Å; S264-F266 VanDerWaalsContact C-N 3.27Å; S264-F266 PolarHBondContact O-N 3.17Å; S264-F266 VanDerWaalsContact OG-CD2 3.27Å; S264-F266 WeakPolarHBondContact OG-CD2 3.27Å; S264-F266 PolarHBondContact OG-N 2.94Å; F266-V269 HydrophobicContact CB-CG2 3.85Å; F266-V269 HydrophobicContact CD2-CG2 3.87Å; F266-V269 HydrophobicContact CG-CG2 3.88Å; F266-K286 WeakPolarHBondContact O-CD 3.43Å; F266-K286 WeakPolarHBondContact O-CE 3.41Å
267E97.9Very high98.1Very high94 Ų9432.2 Ų32.244%0.43917%0.171SC..SBendtrans-69.3-47.3169-174.285.515900110.2R243 I244 F245 V265R243-E267 IonicContact CZ-OE1 3.18Å; R243-E267 IonicContact NE-OE1 2.67Å; R243-E267 IonicContact NH2-OE1 2.77Å; R243-E267 PolarHBondContact NH2-OE1 3.3Å; I244-E267 PolarHBondContact O-N 3.37Å; F245-E267 HydrophobicContact CD1-CB 4.13Å; F245-E267 HydrophobicContact CD1-CG 4.48Å; F245-E267 HydrophobicContact CE1-CB 3.74Å; F245-E267 HydrophobicContact CE1-CG 3.62Å; F245-E267 HydrophobicContact CE2-CB 4.33Å; F245-E267 HydrophobicContact CZ-CB 3.85Å; F245-E267 HydrophobicContact CZ-CG 3.65Å; V265-E267 PolarHBondContact O-N 3.41Å
268A98.3Very high98Very high0 Ų037.7 Ų37.70%020%0.197CC..EExtended strand (participates in β ladder)trans-149.8150.5171.600000111.2F245 A246 K286 R288F245-A268 WeakPolarHBondContact CA-O 3.48Å; F245-A268 HydrophobicContact CD1-CB 3.98Å; F245-A268 HydrophobicContact CE1-CB 4.23Å; A246-A268 PolarHBondContact N-O 2.95Å; A268-K286 WeakPolarHBondContact CA-O 3.34Å; A268-R288 HydrophobicContact CB-CG 4.44Å
269V98.6Very high97.9Very high0 Ų042.6 Ų42.60%022%0.219CC..EExtended strand (participates in β ladder)trans-117.7106.1172.2-178.10000107.3A246 F253 L261 F266 K286 I287 R288A246-V269 HydrophobicContact CB-CG1 4.22Å; A246-V269 HydrophobicContact CB-CG2 4.38Å; A246-V269 CarbonylContact O-C 3.41Å; A246-V269 WeakPolarHBondContact O-CA 3.4Å; F253-V269 HydrophobicContact CE1-CG1 4.2Å; F253-V269 HydrophobicContact CZ-CG1 4.04Å; L261-V269 HydrophobicContact CD1-CB 4.38Å; L261-V269 HydrophobicContact CD1-CG1 4.13Å; L261-V269 HydrophobicContact CD1-CG2 4.24Å; L261-V269 HydrophobicContact CD2-CG2 3.91Å; F266-V269 HydrophobicContact CB-CG2 3.85Å; F266-V269 HydrophobicContact CD2-CG2 3.87Å; F266-V269 HydrophobicContact CG-CG2 3.88Å; V269-K286 PolarHBondContact N-O 2.98Å; V269-I287 CarbonylContact O-C 3.51Å; V269-I287 VanDerWaalsContact O-CA 3.27Å; V269-I287 WeakPolarHBondContact O-CA 3.19Å; V269-R288 PolarHBondContact O-N 2.88Å
270V98.7Very high97.8Very high0 Ų039.5 Ų39.50%020%0.199CC..EExtended strand (participates in β ladder)trans-96.9129.6-174.4-168.70000108.4Y154 A246 I247 C248 R288 I290Y154-V270 HydrophobicContact CD1-CG1 4.1Å; Y154-V270 HydrophobicContact CD1-CG2 4.19Å; Y154-V270 HydrophobicContact CD2-CG1 4.22Å; Y154-V270 HydrophobicContact CE1-CB 4.25Å; Y154-V270 HydrophobicContact CE1-CG1 3.93Å; Y154-V270 HydrophobicContact CE1-CG2 3.4Å; Y154-V270 HydrophobicContact CE2-CG1 4.01Å; Y154-V270 HydrophobicContact CG-CG1 4.27Å; A246-V270 PolarHBondContact O-N 3.35Å; I247-V270 CarbonylContact C-O 3.48Å; I247-V270 VanDerWaalsContact CA-O 3.26Å; I247-V270 WeakPolarHBondContact CA-O 3.31Å; I247-V270 HydrophobicContact CB-CB 4.49Å; I247-V270 HydrophobicContact CG1-CB 4.09Å; I247-V270 HydrophobicContact CG1-CG2 4.3Å; I247-V270 HydrophobicContact CG2-CB 4.34Å; C248-V270 PolarHBondContact N-O 3.44Å; V270-R288 CarbonylContact C-O 3.56Å; V270-R288 WeakPolarHBondContact CA-O 3.44Å; V270-R288 HydrophobicContact CG2-CB 4.45Å; V270-I290 HydrophobicContact CG1-CD1 3.62Å; V270-I290 HydrophobicContact CG1-CG1 3.65Å
271V98.7Very high97.8Very high0 Ų038.8 Ų38.80%020%0.201CC..EExtended strand (participates in β ladder)trans-130.9173.4173.6-62.30000111.3C248 F253 Q277 I287 R288 T289 I290C248-V271 HydrophobicContact CB-CG1 4.25Å; C248-V271 WeakPolarHBondContact O-CA 3.42Å; C248-V271 WeakPolarHBondContact O-CB 3.36Å; C248-V271 WeakPolarHBondContact O-CG1 3.3Å; F253-V271 HydrophobicContact CE1-CG1 4.37Å; F253-V271 HydrophobicContact CE2-CG1 4Å; F253-V271 HydrophobicContact CE2-CG2 4.03Å; F253-V271 HydrophobicContact CZ-CG1 3.47Å; F253-V271 VanDerWaalsContact CZ-CG1 3.47Å; F253-V271 HydrophobicContact CZ-CG2 4.29Å; V271-Q277 HydrophobicContact CG2-CG 3.75Å; V271-I287 HydrophobicContact CG2-CG2 4.24Å; V271-R288 PolarHBondContact N-O 3.06Å; V271-T289 CarbonylContact O-C 3.43Å; V271-T289 VanDerWaalsContact O-CA 3.24Å; V271-T289 WeakPolarHBondContact O-CA 3.45Å; V271-I290 PolarHBondContact O-N 3.39Å
272T98.7Very high97.8Very high2 Ų246 Ų461%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-96.3166.2170.472.70000111.4A147 V249 T274 I290 V292A147-T272 HydrophobicContact CB-CG2 4.01Å; V249-T272 HydrophobicContact CG1-CG2 3.94Å; V249-T272 WeakPolarHBondContact O-CB 3.42Å; V249-T272 PolarHBondContact O-N 3.27Å; V249-T272 VanDerWaalsContact O-N 3.1Å; V249-T272 PolarHBondContact O-OG1 2.95Å; T272-T274 PolarHBondContact O-N 3.07Å; T272-T274 WeakPolarHBondContact OG1-CB 3.46Å; T272-T274 WeakPolarHBondContact OG1-CG2 3.21Å; T272-T274 PolarHBondContact OG1-N 3.4Å; T272-T274 PolarHBondContact OG1-OG1 2.93Å; T272-I290 VanDerWaalsContact CA-O 3.24Å; T272-I290 WeakPolarHBondContact CA-O 3.12Å; T272-I290 HydrophobicContact CG2-CB 4.4Å; T272-V292 HydrophobicContact CG2-CG1 3.62Å
273N97.9Very high97.8Very high7 Ų748.4 Ų48.44%0.03724%0.239CC..THydrogen-bonded Turntrans-82.627.8167.667-23.7000113.3H12 I275 T289 I290 D291 V292H12-N273 PolarHBondContact CD2-O 3.5Å; H12-N273 VanDerWaalsContact CD2-O 3.31Å; H12-N273 PolarHBondContact NE2-O 3.39Å; H12-N273 VanDerWaalsContact NE2-O 3.14Å; N273-I275 PolarHBondContact O-N 3.43Å; N273-T289 HydrophobicContact CB-CG2 3.8Å; N273-I290 PolarHBondContact N-O 3.19Å; N273-I290 VanDerWaalsContact N-O 3.11Å; N273-I290 PolarHBondContact OD1-O 3.45Å; N273-D291 PolarHBondContact ND2-OD1 3.18Å; N273-D291 WeakPolarHBondContact OD1-CA 3.4Å; N273-D291 PolarHBondContact OD1-OD1 3.11Å; N273-V292 VanDerWaalsContact OD1-CG2 3.28Å; N273-V292 WeakPolarHBondContact OD1-CG2 3.33Å; N273-V292 PolarHBondContact OD1-N 3.46Å
274T98.6Very high97.8Very high0 Ų042 Ų420%021%0.206CC..THydrogen-bonded Turntrans-58.1-25.5163.950.30000111.8S58 P90 M127 V249 H250 T272 V292S58-T274 VanDerWaalsContact CB-O 3.3Å; S58-T274 WeakPolarHBondContact CB-O 3.33Å; S58-T274 PolarHBondContact OG-O 3.19Å; P90-T274 HydrophobicContact CB-CG2 3.88Å; M127-T274 HydrophobicContact CB-CG2 4.21Å; M127-T274 HydrophobicContact CG-CG2 4.27Å; M127-T274 HydrophobicContact SD-CG2 3.71Å; V249-T274 HydrophobicContact CG1-CG2 4.31Å; V249-T274 PolarHBondContact O-OG1 2.89Å; H250-T274 PolarHBondContact ND1-OG1 2.79Å; T272-T274 PolarHBondContact O-N 3.07Å; T272-T274 WeakPolarHBondContact OG1-CB 3.46Å; T272-T274 WeakPolarHBondContact OG1-CG2 3.21Å; T272-T274 PolarHBondContact OG1-N 3.4Å; T272-T274 PolarHBondContact OG1-OG1 2.93Å; T274-V292 HydrophobicContact CG2-CG2 4.01Å
275I98.4Very high97.8Very high10 Ų1046.6 Ų46.65%0.05124%0.238CC..SBendtrans-128.3143.9175-62.4-178.9000107.4C60 C91 H250 V252 N273 Q277C60-I275 HydrophobicContact CB-CB 4.26Å; C60-I275 HydrophobicContact CB-CD1 3.96Å; C60-I275 HydrophobicContact CB-CG1 3.84Å; C60-I275 HydrophobicContact CB-CG2 3.65Å; C91-I275 HydrophobicContact CB-CD1 4.14Å; C91-I275 HydrophobicContact CB-CG1 3.94Å; H250-I275 HydrophobicContact CB-CD1 4.24Å; V252-I275 HydrophobicContact CB-CD1 4.35Å; V252-I275 HydrophobicContact CG2-CD1 3.46Å; V252-I275 VanDerWaalsContact CG2-CD1 3.46Å; N273-I275 PolarHBondContact O-N 3.43Å; I275-Q277 WeakPolarHBondContact O-CG 3.33Å; I275-Q277 PolarHBondContact O-N 2.87Å; I275-Q277 PolarHBondContact O-NE2 2.83Å; I275-Q277 VanDerWaalsContact O-NE2 3.12Å
276P97.9Very high97.8Very high49 Ų4945.4 Ų45.432%0.31823%0.226SC..  trans-55.4129.3176.5-20.328000112.3S11 H12S11-P276 WeakPolarHBondContact O-CG 3.09Å; H12-P276 HydrophobicContact CB-CG 3.87Å; H12-P276 VanDerWaalsContact CD2-CD 3.43Å; H12-P276 WeakPolarHBondContact CD2-CD 3.43Å; H12-P276 WeakPolarHBondContact NE2-CA 2.98Å
277Q97.7Very high97.8Very high6 Ų645.4 Ų45.43%0.02823%0.227CC..  trans-115.9-8.4-176.8-63.4-52.7-34.200115.1G251 V271 I275 E279 N280 M281 T289G251-Q277 PolarHBondContact O-NE2 2.75Å; V271-Q277 HydrophobicContact CG2-CG 3.75Å; I275-Q277 WeakPolarHBondContact O-CG 3.33Å; I275-Q277 PolarHBondContact O-N 2.87Å; I275-Q277 PolarHBondContact O-NE2 2.83Å; I275-Q277 VanDerWaalsContact O-NE2 3.12Å; Q277-E279 VanDerWaalsContact C-N 3.33Å; Q277-E279 PolarHBondContact O-N 2.87Å; Q277-N280 PolarHBondContact O-N 2.89Å; Q277-N280 PolarHBondContact OE1-ND2 2.76Å; Q277-M281 HydrophobicContact CB-CG 4.37Å; Q277-M281 HydrophobicContact CB-SD 4.32Å; Q277-M281 WeakPolarHBondContact O-CG 3.36Å; Q277-M281 PolarHBondContact O-N 2.83Å; Q277-T289 HydrophobicContact CB-CG2 4.41Å; Q277-T289 WeakPolarHBondContact CB-OG1 3.38Å; Q277-T289 HydrophobicContact CG-CG2 4.16Å
278E96Very high97.8Very high116 Ų11645.6 Ų45.654%0.54222%0.223SC..Hα-helixtrans-55.6-46-171.6-166-167.8158.200112.4K282E278-K282 WeakPolarHBondContact O-CG 3.31Å; E278-K282 PolarHBondContact O-N 2.86Å; E278-K282 VanDerWaalsContact O-N 3.11Å; E278-K282 VanDerWaalsContact OE1-CE 3.28Å; E278-K282 WeakPolarHBondContact OE1-CE 3.2Å; E278-K282 IonicContact OE1-NZ 3.53Å; E278-K282 PolarHBondContact OE1-NZ 2.81Å
279E96.1Very high97.8Very high129 Ų12947.8 Ų47.860%0.60324%0.237SC*.Hα-helixtrans-66.2-38.7177-70.1-159.8-178.100113.4Q277 K282 K283Q277-E279 VanDerWaalsContact C-N 3.33Å; Q277-E279 PolarHBondContact O-N 2.87Å; E279-K282 PolarHBondContact O-N 2.76Å; E279-K283 WeakPolarHBondContact O-CD 3.2Å; E279-K283 VanDerWaalsContact O-CG 3.3Å; E279-K283 WeakPolarHBondContact O-CG 3.48Å; E279-K283 PolarHBondContact O-N 3.39Å; E279-K283 VanDerWaalsContact O-N 3.1Å; E279-K283 IonicContact OE2-NZ 3.64Å; E279-K283 PolarHBondContact OE2-NZ 3.41Å
280N97.5Very high97.8Very high25 Ų2548.6 Ų48.613%0.13424%0.241CC..Hα-helixtrans-66.3-42.7-179.7-67.2-34.5000110.4F253 L258 Q277 K282 K283 C284 I287F253-N280 HydrophobicContact CD2-CB 4.09Å; L258-N280 HydrophobicContact CD2-CB 4.22Å; Q277-N280 PolarHBondContact O-N 2.89Å; Q277-N280 PolarHBondContact OE1-ND2 2.76Å; N280-K282 VanDerWaalsContact C-N 3.33Å; N280-K282 PolarHBondContact O-N 2.79Å; N280-K283 CarbonylContact O-C 3.58Å; N280-K283 PolarHBondContact O-N 2.86Å; N280-K283 VanDerWaalsContact O-N 3.13Å; N280-C284 PolarHBondContact O-N 2.9Å; N280-I287 HydrophobicContact CB-CD1 3.9Å
281M97.6Very high97.7Very high83 Ų8351.4 Ų51.441%0.40926%0.256SS..Hα-helixtrans-64.1-35.2175.8-69.5178.763.200112.5Q277 K283 C284 I287 T289Q277-M281 HydrophobicContact CB-CG 4.37Å; Q277-M281 HydrophobicContact CB-SD 4.32Å; Q277-M281 WeakPolarHBondContact O-CG 3.36Å; Q277-M281 PolarHBondContact O-N 2.83Å; M281-K283 VanDerWaalsContact C-N 3.33Å; M281-C284 CarbonylContact O-C 3.56Å; M281-I287 HydrophobicContact CG-CB 4.16Å; M281-I287 HydrophobicContact CG-CG2 3.77Å; M281-T289 PolarHBondContact SD-OG1 2.78Å
282K97.4Very high97.7Very high152 Ų15251.4 Ų51.466%0.66126%0.256SS*.Hα-helixtrans-65.4-35.2172.2-73.1172.5-174.1168.80112.4E278 E279 N280E278-K282 WeakPolarHBondContact O-CG 3.31Å; E278-K282 PolarHBondContact O-N 2.86Å; E278-K282 VanDerWaalsContact O-N 3.11Å; E278-K282 VanDerWaalsContact OE1-CE 3.28Å; E278-K282 WeakPolarHBondContact OE1-CE 3.2Å; E278-K282 IonicContact OE1-NZ 3.53Å; E278-K282 PolarHBondContact OE1-NZ 2.81Å; E279-K282 PolarHBondContact O-N 2.76Å; N280-K282 VanDerWaalsContact C-N 3.33Å; N280-K282 PolarHBondContact O-N 2.79Å
283K97.4Very high97.6Very high117 Ų11751.3 Ų51.351%0.50926%0.256SS..Hα-helixtrans-87.7-17.4-177.1-68.4166.5-174.7161.20113.5L258 N262 E279 N280 M281L258-K283 HydrophobicContact CD1-CB 3.81Å; L258-K283 HydrophobicContact CD1-CD 3.73Å; L258-K283 HydrophobicContact CD1-CG 4.4Å; N262-K283 PolarHBondContact ND2-O 3.26Å; N262-K283 VanDerWaalsContact ND2-O 3.12Å; E279-K283 WeakPolarHBondContact O-CD 3.2Å; E279-K283 VanDerWaalsContact O-CG 3.3Å; E279-K283 WeakPolarHBondContact O-CG 3.48Å; E279-K283 PolarHBondContact O-N 3.39Å; E279-K283 VanDerWaalsContact O-N 3.1Å; E279-K283 IonicContact OE2-NZ 3.64Å; E279-K283 PolarHBondContact OE2-NZ 3.41Å; N280-K283 CarbonylContact O-C 3.58Å; N280-K283 PolarHBondContact O-N 2.86Å; N280-K283 VanDerWaalsContact O-N 3.13Å; M281-K283 VanDerWaalsContact C-N 3.33Å
284C97.7Very high97.5Very high1 Ų153.7 Ų53.71%0.00727%0.267CS..  trans-147.4110.3-179.5-175.90000111L258 N262 N280 M281 K286 I287L258-C284 HydrophobicContact CD2-CB 4.27Å; N262-C284 PolarHBondContact OD1-SG 3Å; N280-C284 PolarHBondContact O-N 2.9Å; M281-C284 CarbonylContact O-C 3.56Å; C284-K286 PolarHBondContact O-N 3.27Å; C284-I287 HydrophobicContact CB-CD1 3.74Å; C284-I287 HydrophobicContact CB-CG1 3.96Å; C284-I287 PolarHBondContact O-N 3.49Å; C284-I287 VanDerWaalsContact O-N 3.17Å
285S96.8Very high97.4Very high114 Ų11453.9 Ų53.980%0.79727%0.268SS*.THydrogen-bonded Turntrans-68-14.1-177.756.10000114.7I287S285-I287 VanDerWaalsContact C-N 3.31Å
286K97.9Very high97.3Very high44 Ų4453.4 Ų53.419%0.19127%0.266CS..THydrogen-bonded Turntrans-77-19.8176.2-64.6173.6178.6171.60112.4L261 N262 S264 F266 A268 V269 C284L261-K286 WeakPolarHBondContact O-CD 3.45Å; L261-K286 PolarHBondContact O-NZ 2.8Å; L261-K286 VanDerWaalsContact O-NZ 3.1Å; N262-K286 PolarHBondContact O-NZ 3.29Å; S264-K286 PolarHBondContact O-NZ 3.47Å; F266-K286 WeakPolarHBondContact O-CD 3.43Å; F266-K286 WeakPolarHBondContact O-CE 3.41Å; A268-K286 WeakPolarHBondContact CA-O 3.34Å; V269-K286 PolarHBondContact N-O 2.98Å; C284-K286 PolarHBondContact O-N 3.27Å
287I98.6Very high97.3Very high4 Ų451.2 Ų51.22%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-77.2130.5-176-61.4175.9000109.8F253 L258 L261 V269 V271 N280 M281 C284 S285F253-I287 HydrophobicContact CD2-CD1 3.99Å; F253-I287 HydrophobicContact CE2-CD1 3.7Å; F253-I287 HydrophobicContact CE2-CG1 4.33Å; F253-I287 HydrophobicContact CE2-CG2 4.08Å; F253-I287 HydrophobicContact CZ-CD1 4.09Å; F253-I287 HydrophobicContact CZ-CG1 4.39Å; L258-I287 HydrophobicContact CD2-CD1 3.63Å; L261-I287 HydrophobicContact CD1-CD1 4.16Å; L261-I287 HydrophobicContact CD1-CG1 4.24Å; V269-I287 CarbonylContact O-C 3.51Å; V269-I287 VanDerWaalsContact O-CA 3.27Å; V269-I287 WeakPolarHBondContact O-CA 3.19Å; V271-I287 HydrophobicContact CG2-CG2 4.24Å; N280-I287 HydrophobicContact CB-CD1 3.9Å; M281-I287 HydrophobicContact CG-CB 4.16Å; M281-I287 HydrophobicContact CG-CG2 3.77Å; C284-I287 HydrophobicContact CB-CD1 3.74Å; C284-I287 HydrophobicContact CB-CG1 3.96Å; C284-I287 PolarHBondContact O-N 3.49Å; C284-I287 VanDerWaalsContact O-N 3.17Å; S285-I287 VanDerWaalsContact C-N 3.31Å
288R98.2Very high97.3Very high98 Ų9852.4 Ų52.437%0.3726%0.257SS..EExtended strand (participates in β ladder)trans-128.7151.3175-59.9179.9-177.5-178.2-0.2109.3Y154 A268 V269 V270 V271Y154-R288 WeakPolarHBondContact OH-CD 3.11Å; Y154-R288 PolarHBondContact OH-NH1 3.12Å; A268-R288 HydrophobicContact CB-CG 4.44Å; V269-R288 PolarHBondContact O-N 2.88Å; V270-R288 CarbonylContact C-O 3.56Å; V270-R288 WeakPolarHBondContact CA-O 3.44Å; V270-R288 HydrophobicContact CG2-CB 4.45Å; V271-R288 PolarHBondContact N-O 3.06Å
289T98.2Very high97.4Very high47 Ų4746.9 Ų46.929%0.28823%0.232SC..EExtended strand (participates in β ladder)trans-123.2130.9-174.2-54.70000111.4V271 N273 Q277 M281V271-T289 CarbonylContact O-C 3.43Å; V271-T289 VanDerWaalsContact O-CA 3.24Å; V271-T289 WeakPolarHBondContact O-CA 3.45Å; N273-T289 HydrophobicContact CB-CG2 3.8Å; Q277-T289 HydrophobicContact CB-CG2 4.41Å; Q277-T289 WeakPolarHBondContact CB-OG1 3.38Å; Q277-T289 HydrophobicContact CG-CG2 4.16Å; M281-T289 PolarHBondContact SD-OG1 2.78Å
290I98.1Very high97.5Very high16 Ų1640.8 Ų40.88%0.08220%0.203CC..EExtended strand (participates in β ladder)trans-92.1125.9167.6-61.9170000107.6A150 I151 Y154 V270 V271 T272 N273 V292A150-I290 HydrophobicContact CB-CG2 3.7Å; I151-I290 HydrophobicContact CG1-CD1 4.24Å; Y154-I290 HydrophobicContact CD2-CD1 4.06Å; Y154-I290 HydrophobicContact CD2-CG1 3.71Å; Y154-I290 HydrophobicContact CE2-CG1 4.44Å; Y154-I290 HydrophobicContact CG-CD1 3.81Å; Y154-I290 HydrophobicContact CG-CG1 4.01Å; V270-I290 HydrophobicContact CG1-CD1 3.62Å; V270-I290 HydrophobicContact CG1-CG1 3.65Å; V271-I290 PolarHBondContact O-N 3.39Å; T272-I290 VanDerWaalsContact CA-O 3.24Å; T272-I290 WeakPolarHBondContact CA-O 3.12Å; T272-I290 HydrophobicContact CG2-CB 4.4Å; N273-I290 PolarHBondContact N-O 3.19Å; N273-I290 VanDerWaalsContact N-O 3.11Å; N273-I290 PolarHBondContact OD1-O 3.45Å; I290-V292 HydrophobicContact CG2-CG1 4.39Å; I290-V292 PolarHBondContact O-N 2.85Å
291D97.2Very high97.4Very high60 Ų6043.3 Ų43.332%0.32121%0.21SC..  trans-80.7117.3175.4-1721.3000110.8R22 N273 S293R22-D291 IonicContact CZ-OD2 2.65Å; R22-D291 IonicContact NH1-OD2 2.78Å; R22-D291 IonicContact NH2-OD1 3.67Å; R22-D291 IonicContact NH2-OD2 3.75Å; R22-D291 PolarHBondContact NH2-OD2 2.99Å; N273-D291 PolarHBondContact ND2-OD1 3.18Å; N273-D291 WeakPolarHBondContact OD1-CA 3.4Å; N273-D291 PolarHBondContact OD1-OD1 3.11Å; D291-S293 VanDerWaalsContact OD1-CB 3.27Å; D291-S293 WeakPolarHBondContact OD1-CB 3.27Å; D291-S293 PolarHBondContact OD1-N 3.47Å; D291-S293 PolarHBondContact OD1-OG 3.33Å; D291-S293 PolarHBondContact OD2-OG 2.93Å; D291-S293 VanDerWaalsContact OD2-OG 3.12Å
292V97.3Very high97.3Very high0 Ų041.1 Ų41.10%020%0.198CC..  trans-105.84.1179-64.10000113.5M127 A147 T272 N273 T274 I290 M294 I295 L296M127-V292 HydrophobicContact CE-CB 3.9Å; M127-V292 HydrophobicContact CE-CG1 4.45Å; M127-V292 HydrophobicContact CE-CG2 4.12Å; M127-V292 HydrophobicContact SD-CB 3.81Å; M127-V292 HydrophobicContact SD-CG1 3.92Å; M127-V292 HydrophobicContact SD-CG2 3.71Å; A147-V292 HydrophobicContact CB-CG1 4.37Å; T272-V292 HydrophobicContact CG2-CG1 3.62Å; N273-V292 VanDerWaalsContact OD1-CG2 3.28Å; N273-V292 WeakPolarHBondContact OD1-CG2 3.33Å; N273-V292 PolarHBondContact OD1-N 3.46Å; T274-V292 HydrophobicContact CG2-CG2 4.01Å; I290-V292 HydrophobicContact CG2-CG1 4.39Å; I290-V292 PolarHBondContact O-N 2.85Å; V292-M294 PolarHBondContact O-N 3.05Å; V292-I295 HydrophobicContact CG1-CD1 4.43Å; V292-I295 WeakPolarHBondContact O-CB 3.41Å; V292-I295 PolarHBondContact O-N 3.34Å; V292-L296 HydrophobicContact CG2-CD1 4.27Å; V292-L296 PolarHBondContact O-N 3.43Å; V292-L296 VanDerWaalsContact O-N 3.13Å
293S97Very high97.3Very high0 Ų034.4 Ų34.40%017%0.17CC..Hα-helixtrans-59.3-28.417853.60000113.3R22 D291 L296 A297R22-S293 PolarHBondContact NH1-OG 3.21Å; R22-S293 PolarHBondContact NH2-OG 2.78Å; D291-S293 VanDerWaalsContact OD1-CB 3.27Å; D291-S293 WeakPolarHBondContact OD1-CB 3.27Å; D291-S293 PolarHBondContact OD1-N 3.47Å; D291-S293 PolarHBondContact OD1-OG 3.33Å; D291-S293 PolarHBondContact OD2-OG 2.93Å; D291-S293 VanDerWaalsContact OD2-OG 3.12Å; S293-L296 PolarHBondContact O-N 2.86Å; S293-A297 WeakPolarHBondContact O-CB 3.45Å; S293-A297 PolarHBondContact O-N 3.39Å
294M94.9Very high97.2Very high57 Ų5730.5 Ų30.528%0.28115%0.153SC..Hα-helixtrans-65.2-42.3173-173.861.690.700112.5R22 V292 L296 A297 E298 P317R22-M294 VanDerWaalsContact CD-CA 3.49Å; R22-M294 HydrophobicContact CG-CE 4.32Å; R22-M294 HydrophobicContact CG-SD 4.32Å; V292-M294 PolarHBondContact O-N 3.05Å; M294-L296 VanDerWaalsContact C-N 3.33Å; M294-A297 PolarHBondContact O-N 2.83Å; M294-E298 WeakPolarHBondContact O-CB 3.31Å; M294-E298 PolarHBondContact O-N 2.92Å; M294-P317 HydrophobicContact CG-CB 3.87Å; M294-P317 HydrophobicContact CG-CG 4.24Å; M294-P317 HydrophobicContact SD-CB 4.47Å
295I96.8Very high97.1Very high3 Ų333.4 Ų33.42%0.01517%0.168CC..Hα-helixtrans-65.5-42.5178.7-59174.6000109.5M127 L145 A150 V292 A299M127-I295 HydrophobicContact CE-CB 4.22Å; M127-I295 HydrophobicContact CE-CG2 3.99Å; L145-I295 HydrophobicContact CB-CG2 4.41Å; L145-I295 HydrophobicContact CD1-CG2 4.12Å; A150-I295 HydrophobicContact CB-CD1 4.04Å; V292-I295 HydrophobicContact CG1-CD1 4.43Å; V292-I295 WeakPolarHBondContact O-CB 3.41Å; V292-I295 PolarHBondContact O-N 3.34Å; I295-A299 WeakPolarHBondContact O-CB 3.49Å; I295-A299 PolarHBondContact O-N 2.85Å
296L98Very high96.8Very high0 Ų031.4 Ų31.40%017%0.166CC..Hα-helixtrans-67.3-44.2177.7-68.6164.9000112.2L15 I19 V88 P90 I125 M127 L145 V292 S293 M294 A299 I300L15-L296 HydrophobicContact CD1-CD1 4.19Å; L15-L296 HydrophobicContact CD2-CD1 4.12Å; L15-L296 HydrophobicContact CG-CD1 4.5Å; I19-L296 HydrophobicContact CD1-CB 3.73Å; I19-L296 HydrophobicContact CD1-CD1 3.94Å; I19-L296 HydrophobicContact CD1-CG 4.47Å; I19-L296 HydrophobicContact CG1-CB 4.09Å; V88-L296 HydrophobicContact CG1-CD2 4.08Å; P90-L296 HydrophobicContact CB-CD1 4.29Å; P90-L296 HydrophobicContact CG-CD1 3.94Å; I125-L296 HydrophobicContact CG2-CD2 4.45Å; M127-L296 HydrophobicContact CE-CD2 4.1Å; M127-L296 HydrophobicContact CE-CG 4.01Å; L145-L296 HydrophobicContact CD1-CD2 3.84Å; V292-L296 HydrophobicContact CG2-CD1 4.27Å; V292-L296 PolarHBondContact O-N 3.43Å; V292-L296 VanDerWaalsContact O-N 3.13Å; S293-L296 PolarHBondContact O-N 2.86Å; M294-L296 VanDerWaalsContact C-N 3.33Å; L296-A299 PolarHBondContact O-N 2.77Å; L296-I300 VanDerWaalsContact O-CG1 3.28Å; L296-I300 WeakPolarHBondContact O-CG1 3.37Å; L296-I300 PolarHBondContact O-N 3.21Å
297A97.8Very high96.6Very high3 Ų332.8 Ų32.83%0.02517%0.173CC..Hα-helixtrans-61.3-46.8176.900000111.5I19 R22 L23 S293 M294 A299 I300 R301I19-A297 HydrophobicContact CG2-CB 4.22Å; R22-A297 HydrophobicContact CB-CB 3.75Å; L23-A297 HydrophobicContact CD2-CB 4.38Å; L23-A297 WeakPolarHBondContact CD2-O 3.34Å; L23-A297 HydrophobicContact CG-CB 4.1Å; S293-A297 WeakPolarHBondContact O-CB 3.45Å; S293-A297 PolarHBondContact O-N 3.39Å; M294-A297 PolarHBondContact O-N 2.83Å; A297-A299 VanDerWaalsContact C-N 3.33Å; A297-A299 PolarHBondContact O-N 2.94Å; A297-I300 PolarHBondContact O-N 2.71Å; A297-R301 PolarHBondContact O-N 3.22Å
298E96.7Very high96.3Very high32 Ų3236.1 Ų36.115%0.1520%0.197CC..Hα-helixtrans-67.5-33.9178.6-179.161.2-173.900112M294 R301 R302 L312 P317M294-E298 WeakPolarHBondContact O-CB 3.31Å; M294-E298 PolarHBondContact O-N 2.92Å; E298-R301 PolarHBondContact O-N 3.03Å; E298-R301 IonicContact OE1-CZ 3.66Å; E298-R301 IonicContact OE1-NE 3.55Å; E298-R301 IonicContact OE1-NH2 3.97Å; E298-R301 PolarHBondContact OE1-NH2 2.87Å; E298-R301 IonicContact OE2-CZ 3.17Å; E298-R301 IonicContact OE2-NE 3.35Å; E298-R301 PolarHBondContact OE2-NE 3.22Å; E298-R301 IonicContact OE2-NH2 2.97Å; E298-R302 HydrophobicContact CG-CG 4.46Å; E298-R302 WeakPolarHBondContact O-CB 3.24Å; E298-R302 VanDerWaalsContact O-CG 3.22Å; E298-R302 WeakPolarHBondContact O-CG 3.48Å; E298-R302 PolarHBondContact O-N 3.23Å; E298-R302 IonicContact OE1-CZ 2.84Å; E298-R302 VanDerWaalsContact OE1-CZ 3.22Å; E298-R302 IonicContact OE1-NE 2.92Å; E298-R302 PolarHBondContact OE1-NE 3.03Å; E298-R302 IonicContact OE1-NH2 2.69Å; E298-R302 PolarHBondContact OE1-NH2 3.37Å; E298-L312 HydrophobicContact CB-CD1 4.48Å; E298-L312 HydrophobicContact CB-CD2 4.13Å; E298-L312 HydrophobicContact CG-CD1 4.35Å; E298-L312 HydrophobicContact CG-CD2 3.62Å; E298-L312 HydrophobicContact CG-CG 4.5Å; E298-P317 HydrophobicContact CB-CB 4.27Å; E298-P317 HydrophobicContact CB-CG 3.78Å; E298-P317 HydrophobicContact CG-CB 4.24Å; E298-P317 HydrophobicContact CG-CG 3.82Å
299A97.6Very high96Very high0 Ų032 Ų320%018%0.183CC..Hα-helixtrans-62.2-47.8171.900000111.3L145 I295 L296 A297 R301 R302 T303 V309 L312L145-A299 HydrophobicContact CD1-CB 3.51Å; L145-A299 HydrophobicContact CD2-CB 3.9Å; L145-A299 HydrophobicContact CG-CB 4.31Å; I295-A299 WeakPolarHBondContact O-CB 3.49Å; I295-A299 PolarHBondContact O-N 2.85Å; L296-A299 PolarHBondContact O-N 2.77Å; A297-A299 VanDerWaalsContact C-N 3.33Å; A297-A299 PolarHBondContact O-N 2.94Å; A299-R301 PolarHBondContact O-N 3.45Å; A299-R302 PolarHBondContact O-N 3.44Å; A299-T303 WeakPolarHBondContact O-CB 3.44Å; A299-T303 PolarHBondContact O-N 2.74Å; A299-T303 PolarHBondContact O-OG1 3.49Å; A299-V309 HydrophobicContact CB-CG1 4.44Å; A299-L312 HydrophobicContact CB-CD1 3.71Å
300I98.2Very high95.5Very high0 Ų032.8 Ų32.80%019%0.19CC..Hα-helixtrans-57.3-49.2175.5-70.2167000110.7I4 I19 L23 Y54 V88 I125 L296 A297 R302 T303 H304I4-I300 HydrophobicContact CD1-CG2 3.51Å; I19-I300 HydrophobicContact CG2-CD1 3.65Å; L23-I300 HydrophobicContact CD1-CB 4.25Å; L23-I300 HydrophobicContact CD1-CD1 4.4Å; L23-I300 HydrophobicContact CD1-CG2 3.71Å; L23-I300 HydrophobicContact CD2-CG2 4.38Å; Y54-I300 HydrophobicContact CD1-CB 4.2Å; Y54-I300 HydrophobicContact CD1-CD1 4.42Å; Y54-I300 HydrophobicContact CD1-CG1 3.72Å; Y54-I300 HydrophobicContact CD1-CG2 3.78Å; Y54-I300 HydrophobicContact CD2-CG2 3.91Å; Y54-I300 HydrophobicContact CE1-CB 4.15Å; Y54-I300 HydrophobicContact CE1-CG1 4.04Å; Y54-I300 HydrophobicContact CE1-CG2 3.8Å; Y54-I300 HydrophobicContact CE2-CG2 3.94Å; Y54-I300 HydrophobicContact CG-CG1 4.35Å; Y54-I300 HydrophobicContact CG-CG2 3.82Å; Y54-I300 PolarHBondContact OH-O 3.25Å; V88-I300 HydrophobicContact CG2-CD1 4.04Å; V88-I300 HydrophobicContact CG2-CG1 4.1Å; I125-I300 HydrophobicContact CD1-CG1 4.23Å; L296-I300 VanDerWaalsContact O-CG1 3.28Å; L296-I300 WeakPolarHBondContact O-CG1 3.37Å; L296-I300 PolarHBondContact O-N 3.21Å; A297-I300 PolarHBondContact O-N 2.71Å; I300-R302 VanDerWaalsContact C-N 3.32Å; I300-R302 PolarHBondContact O-N 3.44Å; I300-T303 PolarHBondContact O-N 2.9Å; I300-H304 VanDerWaalsContact O-CB 3.3Å; I300-H304 WeakPolarHBondContact O-CB 3.39Å; I300-H304 PolarHBondContact O-N 3.44Å
301R96.7Very high95Very high78 Ų7837.2 Ų37.229%0.29421%0.207SC..Hα-helixtrans-57.5-45.2178-167.5-164.269.3715.6111.4L23 A297 E298 A299 H304 N305 E307L23-R301 HydrophobicContact CD2-CB 3.89Å; A297-R301 PolarHBondContact O-N 3.22Å; E298-R301 PolarHBondContact O-N 3.03Å; E298-R301 IonicContact OE1-CZ 3.66Å; E298-R301 IonicContact OE1-NE 3.55Å; E298-R301 IonicContact OE1-NH2 3.97Å; E298-R301 PolarHBondContact OE1-NH2 2.87Å; E298-R301 IonicContact OE2-CZ 3.17Å; E298-R301 IonicContact OE2-NE 3.35Å; E298-R301 PolarHBondContact OE2-NE 3.22Å; E298-R301 IonicContact OE2-NH2 2.97Å; A299-R301 PolarHBondContact O-N 3.45Å; R301-H304 PolarHBondContact O-N 3.19Å; R301-N305 WeakPolarHBondContact O-CB 3.26Å; R301-N305 PolarHBondContact O-N 3.39Å; R301-N305 PolarHBondContact O-ND2 3.41Å; R301-E307 IonicContact CZ-OE1 2.76Å; R301-E307 IonicContact CZ-OE2 3.18Å; R301-E307 IonicContact NH1-OE1 3.91Å; R301-E307 PolarHBondContact NH1-OE1 2.88Å; R301-E307 IonicContact NH1-OE2 2.77Å; R301-E307 IonicContact NH2-OE1 3.43Å; R301-E307 IonicContact NH2-OE2 2.75Å; R301-E307 PolarHBondContact NH2-OE2 3.37Å
302R95.6Very high94.6Very high38 Ų3834.4 Ų34.414%0.14319%0.192CC..Hα-helixtrans-65.6-49.7179.8-76.1174.3176.6-75.5-19.7111.8E298 A299 I300 H304 N305 G306 E307 S308 V309E298-R302 HydrophobicContact CG-CG 4.46Å; E298-R302 WeakPolarHBondContact O-CB 3.24Å; E298-R302 VanDerWaalsContact O-CG 3.22Å; E298-R302 WeakPolarHBondContact O-CG 3.48Å; E298-R302 PolarHBondContact O-N 3.23Å; E298-R302 IonicContact OE1-CZ 2.84Å; E298-R302 VanDerWaalsContact OE1-CZ 3.22Å; E298-R302 IonicContact OE1-NE 2.92Å; E298-R302 PolarHBondContact OE1-NE 3.03Å; E298-R302 IonicContact OE1-NH2 2.69Å; E298-R302 PolarHBondContact OE1-NH2 3.37Å; A299-R302 PolarHBondContact O-N 3.44Å; I300-R302 VanDerWaalsContact C-N 3.32Å; I300-R302 PolarHBondContact O-N 3.44Å; R302-H304 PolarHBondContact O-N 2.89Å; R302-N305 CarbonylContact O-C 3.57Å; R302-N305 PolarHBondContact O-N 2.84Å; R302-N305 VanDerWaalsContact O-N 3.14Å; R302-G306 PolarHBondContact O-N 2.9Å; R302-E307 HydrophobicContact CB-CB 3.93Å; R302-E307 HydrophobicContact CG-CB 3.97Å; R302-E307 IonicContact CZ-OE2 2.74Å; R302-E307 IonicContact NH1-OE2 3.29Å; R302-E307 PolarHBondContact O-N 2.92Å; R302-S308 WeakPolarHBondContact CD-O 3.4Å; R302-S308 PolarHBondContact NH1-O 2.9Å; R302-S308 VanDerWaalsContact NH1-O 3.1Å; R302-V309 HydrophobicContact CB-CG1 4.07Å
303T95.9Very high94.1Very high11 Ų1137.4 Ų37.47%0.06721%0.205CC..Hα-helixtrans-61.1-34.6178.5-56.40000111.5Y54 R84 D143 A299 I300Y54-T303 HydrophobicContact CE1-CG2 4.49Å; R84-T303 PolarHBondContact NH1-O 3.42Å; R84-T303 PolarHBondContact NH2-O 3.06Å; D143-T303 PolarHBondContact OD2-OG1 3.02Å; A299-T303 WeakPolarHBondContact O-CB 3.44Å; A299-T303 PolarHBondContact O-N 2.74Å; A299-T303 PolarHBondContact O-OG1 3.49Å; I300-T303 PolarHBondContact O-N 2.9Å
304H96.6Very high93.4Very high34 Ų3440.4 Ų40.416%0.15723%0.226CC..Hα-helixtrans-65.9-45.7174.6-179.263.4000111.9P2 I4 D52 Y54 I300 R301 R302 G306P2-H304 PolarHBondContact O-CE1 2.79Å; I4-H304 HydrophobicContact CD1-CB 4.39Å; D52-H304 IonicContact OD2-CE1 3.6Å; D52-H304 IonicContact OD2-CG 2.82Å; D52-H304 IonicContact OD2-ND1 3.76Å; D52-H304 PolarHBondContact OD2-ND1 3.42Å; Y54-H304 HydrophobicContact CE2-CB 4.38Å; Y54-H304 WeakPolarHBondContact OH-CA 3.47Å; Y54-H304 PolarHBondContact OH-N 3.27Å; I300-H304 VanDerWaalsContact O-CB 3.3Å; I300-H304 WeakPolarHBondContact O-CB 3.39Å; I300-H304 PolarHBondContact O-N 3.44Å; R301-H304 PolarHBondContact O-N 3.19Å; R302-H304 PolarHBondContact O-N 2.89Å; H304-G306 VanDerWaalsContact C-N 3.28Å; H304-G306 PolarHBondContact O-N 2.87Å
305N94.9Very high92.8Very high62 Ų6241.8 Ų41.833%0.33223%0.231SC..Hα-helixtrans-83.41.6-178.7-69.7-66.2000114.1R301 R302 E307R301-N305 WeakPolarHBondContact O-CB 3.26Å; R301-N305 PolarHBondContact O-N 3.39Å; R301-N305 PolarHBondContact O-ND2 3.41Å; R302-N305 CarbonylContact O-C 3.57Å; R302-N305 PolarHBondContact O-N 2.84Å; R302-N305 VanDerWaalsContact O-N 3.14Å; N305-E307 VanDerWaalsContact C-N 3.27Å; N305-E307 HydrophobicContact CB-CG 4.06Å; N305-E307 PolarHBondContact O-N 3.46Å
306G91.1Very high91.8Very high73 Ų7343.9 Ų43.975%0.75324%0.244SC*.THydrogen-bonded Turntrans69.823-176.800000113.9R302 H304R302-G306 PolarHBondContact O-N 2.9Å; H304-G306 VanDerWaalsContact C-N 3.28Å; H304-G306 PolarHBondContact O-N 2.87Å
307E93.4Very high90.6Very high73 Ų7344.8 Ų44.834%0.34125%0.25SC..  trans-87.3153.3177-61.2174.3-153.200111.2R301 R302 N305 V309R301-E307 IonicContact CZ-OE1 2.76Å; R301-E307 IonicContact CZ-OE2 3.18Å; R301-E307 IonicContact NH1-OE1 3.91Å; R301-E307 PolarHBondContact NH1-OE1 2.88Å; R301-E307 IonicContact NH1-OE2 2.77Å; R301-E307 IonicContact NH2-OE1 3.43Å; R301-E307 IonicContact NH2-OE2 2.75Å; R301-E307 PolarHBondContact NH2-OE2 3.37Å; R302-E307 HydrophobicContact CB-CB 3.93Å; R302-E307 HydrophobicContact CG-CB 3.97Å; R302-E307 IonicContact CZ-OE2 2.74Å; R302-E307 IonicContact NH1-OE2 3.29Å; R302-E307 PolarHBondContact O-N 2.92Å; N305-E307 VanDerWaalsContact C-N 3.27Å; N305-E307 HydrophobicContact CB-CG 4.06Å; N305-E307 PolarHBondContact O-N 3.46Å; E307-V309 PolarHBondContact O-N 3.09Å
308S91.5Very high88.8Confident74 Ų7455.3 Ų55.352%0.51731%0.305SS..  trans-69.7131.5175.2-173.50000111.6R302 S310R302-S308 WeakPolarHBondContact CD-O 3.4Å; R302-S308 PolarHBondContact NH1-O 2.9Å; R302-S308 VanDerWaalsContact NH1-O 3.1Å; S308-S310 VanDerWaalsContact C-N 3.31Å; S308-S310 WeakPolarHBondContact OG-CB 3.42Å; S308-S310 PolarHBondContact OG-N 3.12Å; S308-S310 PolarHBondContact OG-OG 3.01Å
309V91.9Very high88.4Confident11 Ų1156.5 Ų56.57%0.06731%0.312CS..G310 helixtrans-79-11.3171.3-61.90000113.5D143 A299 R302 E307 Y311 L312 F313D143-V309 HydrophobicContact CB-CG2 4.2Å; D143-V309 WeakPolarHBondContact OD1-CG2 3.22Å; A299-V309 HydrophobicContact CB-CG1 4.44Å; R302-V309 HydrophobicContact CB-CG1 4.07Å; E307-V309 PolarHBondContact O-N 3.09Å; V309-Y311 PolarHBondContact O-N 3.38Å; V309-L312 HydrophobicContact CB-CD1 4.47Å; V309-L312 VanDerWaalsContact O-CB 3.27Å; V309-L312 WeakPolarHBondContact O-CB 3.37Å; V309-L312 WeakPolarHBondContact O-CG 3.46Å; V309-L312 PolarHBondContact O-N 2.79Å; V309-F313 HydrophobicContact CG2-CZ 4.31Å
310S89.4Confident87.9Confident64 Ų6459.5 Ų59.545%0.44833%0.329SS..G310 helixtrans-57.6-26.7-176.362.70000114.1S308 L312 F313S308-S310 VanDerWaalsContact C-N 3.31Å; S308-S310 WeakPolarHBondContact OG-CB 3.42Å; S308-S310 PolarHBondContact OG-N 3.12Å; S308-S310 PolarHBondContact OG-OG 3.01Å; S310-L312 PolarHBondContact O-N 2.85Å; S310-F313 WeakPolarHBondContact O-CB 3.36Å; S310-F313 PolarHBondContact O-N 2.93Å; S310-F313 VanDerWaalsContact O-N 3.09Å
311Y86.7Confident87.3Confident109 Ų10962.8 Ų62.843%0.42735%0.347SS..G310 helixtrans-53.2-37.4172.9178.9-98.9000112.3V309 F313 S314 H315V309-Y311 PolarHBondContact O-N 3.38Å; Y311-F313 PolarHBondContact O-N 3.13Å; Y311-S314 PolarHBondContact O-N 3.39Å; Y311-H315 HydrophobicContact CD1-CB 4.28Å; Y311-H315 AromaticContact CD2-ND1 3.65Å; Y311-H315 HydrophobicContact CE1-CB 3.71Å; Y311-H315 HydrophobicContact CE2-CB 4.22Å; Y311-H315 AromaticContact CE2-CE1 3.9Å; Y311-H315 AromaticContact CE2-CG 3.75Å; Y311-H315 AromaticContact CE2-ND1 3.48Å; Y311-H315 WeakPolarHBondContact CE2-ND1 3.42Å; Y311-H315 AromaticContact CZ-CG 3.67Å; Y311-H315 AromaticContact CZ-ND1 3.87Å; Y311-H315 PolarHBondContact O-N 3.03Å; Y311-H315 PolarHBondContact O-ND1 2.99Å; Y311-H315 VanDerWaalsContact O-ND1 3.08Å
312L89Confident86.8Confident1 Ų161.9 Ų61.91%0.00535%0.35CS..G310 helixtrans-70.9-15.4-177.8-56.7178000113.6L145 E298 A299 V309 S310 S314 P317L145-L312 HydrophobicContact CD2-CD1 4.29Å; E298-L312 HydrophobicContact CB-CD1 4.48Å; E298-L312 HydrophobicContact CB-CD2 4.13Å; E298-L312 HydrophobicContact CG-CD1 4.35Å; E298-L312 HydrophobicContact CG-CD2 3.62Å; E298-L312 HydrophobicContact CG-CG 4.5Å; A299-L312 HydrophobicContact CB-CD1 3.71Å; V309-L312 HydrophobicContact CB-CD1 4.47Å; V309-L312 VanDerWaalsContact O-CB 3.27Å; V309-L312 WeakPolarHBondContact O-CB 3.37Å; V309-L312 WeakPolarHBondContact O-CG 3.46Å; V309-L312 PolarHBondContact O-N 2.79Å; S310-L312 PolarHBondContact O-N 2.85Å; L312-S314 PolarHBondContact O-N 3.15Å; L312-P317 HydrophobicContact CD2-CG 3.46Å; L312-P317 VanDerWaalsContact CD2-CG 3.46Å
313F86.4Confident86.2Confident63 Ų6363.4 Ų63.428%0.27636%0.363SS..G310 helixtrans-76-13.8178.8-55.3-20.3000112.6L145 F146 R184 V309 S310 Y311L145-F313 HydrophobicContact CD2-CE1 4.18Å; F146-F313 HydrophobicContact CD2-CB 4.38Å; F146-F313 AromaticContact CD2-CD1 3.69Å; F146-F313 HydrophobicContact CD2-CD1 3.69Å; F146-F313 HydrophobicContact CD2-CE1 4.11Å; F146-F313 HydrophobicContact CD2-CG 4.03Å; F146-F313 HydrophobicContact CE2-CD1 4.18Å; F146-F313 HydrophobicContact CE2-CE1 4.3Å; F146-F313 HydrophobicContact CE2-CG 4.34Å; R184-F313 PolarHBondContact NH1-O 2.98Å; R184-F313 PolarHBondContact NH2-O 3.13Å; V309-F313 HydrophobicContact CG2-CZ 4.31Å; S310-F313 WeakPolarHBondContact O-CB 3.36Å; S310-F313 PolarHBondContact O-N 2.93Å; S310-F313 VanDerWaalsContact O-N 3.09Å; Y311-F313 PolarHBondContact O-N 3.13Å
314S82.5Confident85.6Confident63 Ų6366.9 Ų66.944%0.44138%0.383SS..THydrogen-bonded Turntrans-126.9-11.5-178.9-54.90000113.8R184 Y311 L312R184-S314 PolarHBondContact NH2-OG 3.39Å; Y311-S314 PolarHBondContact O-N 3.39Å; L312-S314 PolarHBondContact O-N 3.15Å
315H81.9Confident84.8Confident86 Ų8669.2 Ų69.240%0.39840%0.399SS..  trans-132.2137.9-175.2-54.389.8000110.9Y311Y311-H315 HydrophobicContact CD1-CB 4.28Å; Y311-H315 AromaticContact CD2-ND1 3.65Å; Y311-H315 HydrophobicContact CE1-CB 3.71Å; Y311-H315 HydrophobicContact CE2-CB 4.22Å; Y311-H315 AromaticContact CE2-CE1 3.9Å; Y311-H315 AromaticContact CE2-CG 3.75Å; Y311-H315 AromaticContact CE2-ND1 3.48Å; Y311-H315 WeakPolarHBondContact CE2-ND1 3.42Å; Y311-H315 AromaticContact CZ-CG 3.67Å; Y311-H315 AromaticContact CZ-ND1 3.87Å; Y311-H315 PolarHBondContact O-N 3.03Å; Y311-H315 PolarHBondContact O-ND1 2.99Å; Y311-H315 VanDerWaalsContact O-ND1 3.08Å
316V75.3Confident84Confident47 Ų4769.8 Ų69.829%0.28540%0.404SS..  trans-81.1123.7161.3-174.30000106.4P149 A150P149-V316 HydrophobicContact CB-CG2 3.56Å; P149-V316 WeakPolarHBondContact O-CG2 3.15Å; A150-V316 HydrophobicContact CB-CG2 4.42Å
317P73.6Confident83.4Confident18 Ų1869.5 Ų69.512%0.11738%0.375CS..  trans-55.9142.2172.4-2131.8000110.6M294 E298 L312M294-P317 HydrophobicContact CG-CB 3.87Å; M294-P317 HydrophobicContact CG-CG 4.24Å; M294-P317 HydrophobicContact SD-CB 4.47Å; E298-P317 HydrophobicContact CB-CB 4.27Å; E298-P317 HydrophobicContact CB-CG 3.78Å; E298-P317 HydrophobicContact CG-CB 4.24Å; E298-P317 HydrophobicContact CG-CG 3.82Å; L312-P317 HydrophobicContact CD2-CG 3.46Å; L312-P317 VanDerWaalsContact CD2-CG 3.46Å
318L59.9Low82.5Confident225 Ų22569.2 Ų69.2100%1.17838%0.378SS*.  trans-69.40177-70.9171000111.3

Retrieved 318 of 318 residues in 176.7 ms (Link to these results)

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