A0A077Z1Z2_TRITR Loading...

Chitobiosyldiphosphodolichol

AlphaFold DB , UniProt , Accession A0A077Z1Z2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 444 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
1M35.5Very low60.3Low224 Ų224102.7 Ų102.7100%1.10354%0.535SS*.  0138.50-71.5-170.5177.100107.8
2P33.6Very low63.5Low112 Ų11294.3 Ų94.373%0.72749%0.491SS*.PPolyproline II helixtrans-57.4142.2165.425.7-30.7000108.4N4P2-N4 PolarHBondContact O-N 3.44Å; P2-N4 VanDerWaalsContact O-N 3.12Å
3P42Very low66.2Low67 Ų6787.2 Ų87.244%0.43545%0.454SS..PPolyproline II helixtrans-55.1123.3178.119.8-29000108.7S5 S7P3-S5 PolarHBondContact O-N 3.44Å; P3-S7 WeakPolarHBondContact CB-OG 3.29Å
4N51.7Low68.5Low98 Ų9880.9 Ų80.952%0.52442%0.421SS..PPolyproline II helixtrans-50.9139.1173.7-88.8-10.9000108.3P2 Q6 S7P2-N4 PolarHBondContact O-N 3.44Å; P2-N4 VanDerWaalsContact O-N 3.12Å; N4-Q6 PolarHBondContact O-N 2.97Å; N4-S7 PolarHBondContact O-N 3.07Å; N4-S7 PolarHBondContact O-OG 3.33Å
5S52.5Low70.5Confident105 Ų10575.5 Ų75.573%0.73439%0.393SS*.THydrogen-bonded Turntrans-51.7-24.4179.2550000113.6P3 S7P3-S5 PolarHBondContact O-N 3.44Å; S5-S7 VanDerWaalsContact C-N 3.35Å; S5-S7 PolarHBondContact O-N 2.87Å
6Q53Low72.2Confident137 Ų13770.8 Ų70.864%0.6437%0.369SS*.THydrogen-bonded Turntrans-63.3-31.2173.9-69.5-174.8-6.200114.1N4 N437N4-Q6 PolarHBondContact O-N 2.97Å; Q6-N437 PolarHBondContact OE1-OD1 3.23Å
7S59.4Low73.7Confident8 Ų867.2 Ų67.26%0.05635%0.35CS..G310 helixtrans-76.9-28.4-176.674.90000113.4P3 N4 S5 N9 A10P3-S7 WeakPolarHBondContact CB-OG 3.29Å; N4-S7 PolarHBondContact O-N 3.07Å; N4-S7 PolarHBondContact O-OG 3.33Å; S5-S7 VanDerWaalsContact C-N 3.35Å; S5-S7 PolarHBondContact O-N 2.87Å; S7-N9 PolarHBondContact O-N 3.45Å; S7-A10 WeakPolarHBondContact O-CB 3.46Å; S7-A10 PolarHBondContact O-N 3.02Å
8R62.2Low74.9Confident167 Ų16764.7 Ų64.763%0.6334%0.343SS*.G310 helixtrans-70.3-17.7-178.9-78.8-173.7174.8178.5-1.7114.1
9N83.3Confident76Confident138 Ų13862.9 Ų62.974%0.73833%0.334SS*.G310 helixtrans-108.84.9174.3-73.6-7.8000112.4S7S7-N9 PolarHBondContact O-N 3.45Å
10A93.4Very high77.1Confident3 Ų360 Ų603%0.02532%0.318CS..  trans-66.6150.2178.700000110.3S7 V38 N39 D101 L436S7-A10 WeakPolarHBondContact O-CB 3.46Å; S7-A10 PolarHBondContact O-N 3.02Å; A10-V38 HydrophobicContact CB-CG1 4.42Å; A10-V38 WeakPolarHBondContact O-CG1 3.26Å; A10-N39 PolarHBondContact O-N 3.43Å; A10-D101 WeakPolarHBondContact CA-OD2 3.48Å; A10-L436 HydrophobicContact CB-CD1 4.03Å; A10-L436 HydrophobicContact CB-CD2 4.31Å
11R97Very high77.8Confident71 Ų7158 Ų5827%0.26831%0.312SS..EExtended strand (participates in β ladder)trans-123.1128.9173.5-171.5-178.8-53-127.6-0.8110.1N39 E41 R99 S100 D101 V102R11-N39 CarbonylContact C-O 3.27Å; R11-N39 VanDerWaalsContact CA-O 3.26Å; R11-N39 WeakPolarHBondContact CA-O 3.42Å; R11-N39 HydrophobicContact CB-CB 4.25Å; R11-N39 HydrophobicContact CG-CB 4.04Å; R11-E41 WeakPolarHBondContact CD-OE1 3.18Å; R11-E41 HydrophobicContact CG-CG 3.94Å; R11-E41 IonicContact CZ-OE1 3.36Å; R11-E41 IonicContact NE-OE1 3.67Å; R11-E41 IonicContact NH1-OE1 3.76Å; R11-E41 PolarHBondContact NH1-OE1 2.95Å; R11-R99 WeakPolarHBondContact CD-O 3.41Å; R11-S100 CarbonylContact O-C 3.59Å; R11-D101 PolarHBondContact N-OD2 2.98Å; R11-D101 PolarHBondContact O-N 2.8Å; R11-V102 PolarHBondContact O-N 2.8Å
12V98Very high80.4Confident1 Ų154.2 Ų54.21%0.00629%0.285CS..EExtended strand (participates in β ladder)trans-118125.8177.9179.50000109V14 L33 V38 N39 V40 E41 V102 L104 F432V12-V14 HydrophobicContact CG1-CG2 4.08Å; V12-L33 HydrophobicContact CB-CD1 4.06Å; V12-L33 HydrophobicContact CG1-CD1 3.76Å; V12-L33 HydrophobicContact CG2-CD1 4.35Å; V12-L33 HydrophobicContact CG2-CD2 4.23Å; V12-V38 HydrophobicContact CB-CG1 4.08Å; V12-V38 HydrophobicContact CG2-CG1 3.53Å; V12-N39 PolarHBondContact N-O 2.82Å; V12-V40 WeakPolarHBondContact O-CA 3.32Å; V12-E41 PolarHBondContact O-N 3.21Å; V12-V102 CarbonylContact C-O 3.52Å; V12-V102 WeakPolarHBondContact CA-O 3.19Å; V12-V102 HydrophobicContact CG1-CB 4.38Å; V12-V102 HydrophobicContact CG1-CG1 4.48Å; V12-V102 HydrophobicContact CG2-CB 4.17Å; V12-L104 HydrophobicContact CG1-CB 4.29Å; V12-F432 HydrophobicContact CG1-CE1 3.9Å; V12-F432 HydrophobicContact CG2-CD1 4.33Å; V12-F432 HydrophobicContact CG2-CE1 4.19Å
13C98.5Very high83.3Confident2 Ų249.5 Ų49.51%0.01426%0.255CS..EExtended strand (participates in β ladder)trans-90.9115169.7-176.20000108.8E41 I43 L93 V102 I103 L104C13-E41 CarbonylContact C-O 3.56Å; C13-E41 VanDerWaalsContact CA-O 3.31Å; C13-E41 WeakPolarHBondContact CA-O 3.37Å; C13-E41 HydrophobicContact CB-CB 4.41Å; C13-I43 WeakPolarHBondContact SG-CD1 3.29Å; C13-L93 VanDerWaalsContact SG-CD2 3.59Å; C13-V102 PolarHBondContact N-O 2.96Å; C13-I103 HydrophobicContact CB-CG1 4.29Å; C13-I103 CarbonylContact O-C 3.57Å; C13-I103 VanDerWaalsContact O-CA 3.31Å; C13-I103 WeakPolarHBondContact O-CA 3.48Å; C13-L104 PolarHBondContact O-N 3.19Å
14V98.7Very high85.7Confident0 Ų048.4 Ų48.40%025%0.248CC..EExtended strand (participates in β ladder)trans-97.1124.5175.4-178.10000108.4V12 M26 L33 V40 E41 L42 I43 L104V12-V14 HydrophobicContact CG1-CG2 4.08Å; V14-M26 HydrophobicContact CG1-CB 4.35Å; V14-M26 HydrophobicContact CG1-CE 3.49Å; V14-M26 VanDerWaalsContact CG1-CE 3.49Å; V14-L33 HydrophobicContact CG2-CD1 4.17Å; V14-V40 HydrophobicContact CB-CG1 4.48Å; V14-V40 HydrophobicContact CG2-CG1 3.87Å; V14-E41 PolarHBondContact N-O 2.92Å; V14-L42 HydrophobicContact CB-CD1 3.78Å; V14-L42 HydrophobicContact CG1-CD1 3.69Å; V14-I43 PolarHBondContact O-N 2.92Å; V14-L104 CarbonylContact C-O 3.55Å; V14-L104 WeakPolarHBondContact CA-O 3.4Å; V14-L104 HydrophobicContact CG1-CD2 4.26Å; V14-L104 HydrophobicContact CG2-CB 4.36Å; V14-L104 HydrophobicContact CG2-CD2 4.27Å
15V98.8Very high87.8Confident0 Ų043.9 Ų43.90%022%0.223CC..EExtended strand (participates in β ladder)trans-116.8118.9-172.8-176.30000110.4I43 L89 L93 I103 L104 L105 Q106V15-I43 HydrophobicContact CG2-CD1 4.26Å; V15-L89 HydrophobicContact CG1-CD1 3.83Å; V15-L89 HydrophobicContact CG1-CD2 4.39Å; V15-L93 HydrophobicContact CG2-CD2 4.23Å; V15-I103 HydrophobicContact CG2-CG2 3.86Å; V15-L104 PolarHBondContact N-O 2.9Å; V15-L105 HydrophobicContact CB-CD1 4.01Å; V15-L105 HydrophobicContact CG1-CD1 3.88Å; V15-Q106 PolarHBondContact O-N 2.92Å
16V98.1Very high89.9Confident0 Ų038.9 Ų38.90%019%0.189CC..EExtended strand (participates in β ladder)trans-122.4108.1174.6-176.50000108G18 S23 M26 L42 I43 G44V16-G18 PolarHBondContact O-N 3.35Å; V16-S23 VanDerWaalsContact CG1-OG 3.27Å; V16-S23 WeakPolarHBondContact CG1-OG 3.48Å; V16-M26 HydrophobicContact CG2-CB 3.52Å; V16-M26 HydrophobicContact CG2-CG 3.7Å; V16-L42 HydrophobicContact CG2-CD1 4.28Å; V16-I43 PolarHBondContact N-O 2.84Å; V16-G44 WeakPolarHBondContact O-CA 3.47Å
17L97.4Very high92Very high9 Ų932.7 Ų32.75%0.04716%0.16CC..EExtended strand (participates in β ladder)trans-82.756174.2-165.564.7000111.2Y45 L65 Q85 L89 P109 P112 A113L17-Y45 HydrophobicContact CD1-CE2 3.92Å; L17-Y45 HydrophobicContact CG-CE2 4.4Å; L17-L65 HydrophobicContact CD1-CD1 3.78Å; L17-Q85 HydrophobicContact CD1-CB 4.35Å; L17-Q85 HydrophobicContact CD1-CG 4.32Å; L17-Q85 HydrophobicContact CD2-CB 4.15Å; L17-Q85 HydrophobicContact CD2-CG 4.4Å; L17-L89 HydrophobicContact CD1-CD2 4.45Å; L17-P109 HydrophobicContact CB-CG 3.94Å; L17-P109 HydrophobicContact CD2-CG 4.01Å; L17-P109 HydrophobicContact CG-CG 4.23Å; L17-P112 HydrophobicContact CD2-CG 4.45Å; L17-A113 HydrophobicContact CB-CB 4.23Å; L17-A113 HydrophobicContact CD2-CB 4.06Å
18G96Very high93.8Very high22 Ų2233.3 Ų33.323%0.22716%0.161CC..EExtended strand (participates in β ladder)trans-166.8-179.4-173.600000111.2V16 I20 Y45V16-G18 PolarHBondContact O-N 3.35Å; G18-I20 PolarHBondContact O-N 3.47Å; G18-Y45 PolarHBondContact O-N 3.46Å
19D95.4Very high95.5Very high32 Ų3225.4 Ų25.417%0.17113%0.131CC..EExtended strand (participates in β ladder)trans-66.3121.2173.8-178.1-10.9000109.5G21 R22 S23 S48D19-G21 PolarHBondContact O-N 3.49Å; D19-G21 PolarHBondContact OD1-N 3.09Å; D19-G21 VanDerWaalsContact OD1-N 3.08Å; D19-R22 HydrophobicContact CB-CB 4.13Å; D19-R22 HydrophobicContact CB-CG 4.04Å; D19-R22 PolarHBondContact O-N 2.87Å; D19-R22 WeakPolarHBondContact OD2-CD 3.17Å; D19-R22 WeakPolarHBondContact OD2-CG 3.36Å; D19-R22 IonicContact OD2-NE 2.77Å; D19-R22 PolarHBondContact OD2-NE 3.4Å; D19-S23 PolarHBondContact O-OG 2.93Å; D19-S48 PolarHBondContact OD1-N 3.36Å; D19-S48 VanDerWaalsContact OD1-N 3.14Å; D19-S48 PolarHBondContact OD2-N 2.98Å; D19-S48 PolarHBondContact OD2-OG 3.33Å
20I96.7Very high96.2Very high3 Ų318.8 Ų18.82%0.01510%0.096CC..G310 helixtrans-60.7-45.9-177.6-71.5166.1000110.7G18 R22 S23 E27 L42 Y45 P50 F62 Y64G18-I20 PolarHBondContact O-N 3.47Å; I20-R22 PolarHBondContact O-N 3.05Å; I20-S23 PolarHBondContact O-N 3.47Å; I20-E27 HydrophobicContact CG2-CG 4.09Å; I20-E27 VanDerWaalsContact O-OE1 3.06Å; I20-L42 HydrophobicContact CD1-CD2 4.39Å; I20-L42 HydrophobicContact CD1-CG 3.96Å; I20-L42 HydrophobicContact CG1-CG 4.43Å; I20-L42 HydrophobicContact CG2-CD2 3.8Å; I20-L42 HydrophobicContact CG2-CG 4.41Å; I20-Y45 PolarHBondContact N-O 2.9Å; I20-P50 HydrophobicContact CG2-CB 4.49Å; I20-P50 HydrophobicContact CG2-CG 4.24Å; I20-F62 HydrophobicContact CD1-CD1 4.13Å; I20-F62 HydrophobicContact CG2-CE1 4.22Å; I20-Y64 HydrophobicContact CD1-CD1 4.13Å; I20-Y64 HydrophobicContact CD1-CE1 3.83Å
21G92.4Very high96.4Very high18 Ų1818.7 Ų18.719%0.18610%0.095CC..G310 helixtrans-71.96-178.800000114.1D19 E27 S48D19-G21 PolarHBondContact O-N 3.49Å; D19-G21 PolarHBondContact OD1-N 3.09Å; D19-G21 VanDerWaalsContact OD1-N 3.08Å; G21-E27 WeakPolarHBondContact CA-OE1 3.37Å; G21-S48 WeakPolarHBondContact O-CB 3.01Å
22R90Very high96.5Very high146 Ų14615.6 Ų15.655%0.5518%0.084SC*.G310 helixtrans-117.512.6171.4-62.3-176.8178.4-140.1-9.8112.2D19 I20 P24 S48D19-R22 HydrophobicContact CB-CB 4.13Å; D19-R22 HydrophobicContact CB-CG 4.04Å; D19-R22 PolarHBondContact O-N 2.87Å; D19-R22 WeakPolarHBondContact OD2-CD 3.17Å; D19-R22 WeakPolarHBondContact OD2-CG 3.36Å; D19-R22 IonicContact OD2-NE 2.77Å; D19-R22 PolarHBondContact OD2-NE 3.4Å; I20-R22 PolarHBondContact O-N 3.05Å; R22-P24 WeakPolarHBondContact O-CD 3.28Å; R22-S48 PolarHBondContact NE-OG 2.89Å
23S94Very high96.4Very high13 Ų1315.6 Ų15.69%0.0918%0.084CC..  trans-124.660.4-175.9-55.30000109.6V16 D19 I20 R25 M26 E27V16-S23 VanDerWaalsContact CG1-OG 3.27Å; V16-S23 WeakPolarHBondContact CG1-OG 3.48Å; D19-S23 PolarHBondContact O-OG 2.93Å; I20-S23 PolarHBondContact O-N 3.47Å; S23-R25 VanDerWaalsContact C-N 3.26Å; S23-R25 PolarHBondContact O-N 3.39Å; S23-R25 VanDerWaalsContact O-N 3.15Å; S23-M26 PolarHBondContact O-N 2.83Å; S23-E27 PolarHBondContact O-N 3.23Å
24P92.6Very high96.4Very high44 Ų4415.6 Ų15.629%0.2868%0.084SC..Hα-helixtrans-56.3-38.8-168.320.8-33.2000112.7R22 M26 E27 Y28 M348R22-P24 WeakPolarHBondContact O-CD 3.28Å; P24-M26 VanDerWaalsContact C-N 3.3Å; P24-M26 PolarHBondContact O-N 2.97Å; P24-E27 WeakPolarHBondContact O-CB 3.46Å; P24-E27 PolarHBondContact O-N 3.36Å; P24-Y28 HydrophobicContact CB-CE2 4.05Å; P24-Y28 WeakPolarHBondContact O-CB 3.16Å; P24-Y28 WeakPolarHBondContact O-CD1 3.36Å; P24-Y28 VanDerWaalsContact O-CD2 3.29Å; P24-Y28 WeakPolarHBondContact O-CD2 3.15Å; P24-Y28 PolarHBondContact O-N 3.41Å; P24-M348 HydrophobicContact CG-CE 3.98Å
25R95.5Very high96.2Very high2 Ų218.8 Ų18.81%0.00810%0.101CC..Hα-helixtrans-54.2-44.9173.5172.2126166.8169-0.8112.8S23 Y28 H29 D131 H133 F190 D192 M348 W420S23-R25 VanDerWaalsContact C-N 3.26Å; S23-R25 PolarHBondContact O-N 3.39Å; S23-R25 VanDerWaalsContact O-N 3.15Å; R25-Y28 PolarHBondContact O-N 3.3Å; R25-H29 PolarHBondContact O-CD2 3.48Å; R25-H29 PolarHBondContact O-N 2.95Å; R25-D131 IonicContact CZ-OD1 2.71Å; R25-D131 IonicContact CZ-OD2 2.59Å; R25-D131 IonicContact NE-OD1 2.97Å; R25-D131 PolarHBondContact NE-OD1 2.75Å; R25-D131 IonicContact NE-OD2 2.67Å; R25-D131 PolarHBondContact NE-OD2 2.74Å; R25-D131 IonicContact NH2-OD1 2.89Å; R25-D131 PolarHBondContact NH2-OD1 2.97Å; R25-D131 IonicContact NH2-OD2 3.78Å; R25-H133 WeakPolarHBondContact CD-CE1 3.47Å; R25-H133 VanDerWaalsContact CD-NE2 3.29Å; R25-H133 WeakPolarHBondContact CD-NE2 3.36Å; R25-H133 WeakPolarHBondContact CG-CE1 3.32Å; R25-H133 WeakPolarHBondContact CG-NE2 3.26Å; R25-H133 PolarHBondContact NE-NE2 3.31Å; R25-H133 VanDerWaalsContact NE-NE2 3.1Å; R25-F190 VanDerWaalsContact CZ-O 3.3Å; R25-F190 PolarHBondContact NH1-O 2.86Å; R25-F190 PolarHBondContact NH2-O 3.4Å; R25-D192 WeakPolarHBondContact CD-OD1 3.43Å; R25-D192 IonicContact CZ-OD1 3.46Å; R25-D192 IonicContact NE-OD1 3.32Å; R25-D192 IonicContact NH1-OD1 2.71Å; R25-D192 PolarHBondContact NH1-OD1 3.44Å; R25-D192 IonicContact NH1-OD2 3.38Å; R25-M348 HydrophobicContact CB-CE 4.22Å; R25-W420 HydrophobicContact CB-CH2 4.36Å; R25-W420 HydrophobicContact CG-CH2 3.83Å; R25-W420 HydrophobicContact CG-CZ3 4.29Å
26M97.9Very high96Very high1 Ų121.7 Ų21.71%0.00511%0.114CC..Hα-helixtrans-75.8-31.6-178.4-56.4-51.9-61.900111.9V14 V16 S23 P24 Y28 S30 L104 Q106V14-M26 HydrophobicContact CG1-CB 4.35Å; V14-M26 HydrophobicContact CG1-CE 3.49Å; V14-M26 VanDerWaalsContact CG1-CE 3.49Å; V16-M26 HydrophobicContact CG2-CB 3.52Å; V16-M26 HydrophobicContact CG2-CG 3.7Å; S23-M26 PolarHBondContact O-N 2.83Å; P24-M26 VanDerWaalsContact C-N 3.3Å; P24-M26 PolarHBondContact O-N 2.97Å; M26-Y28 VanDerWaalsContact C-N 3.35Å; M26-S30 VanDerWaalsContact O-CB 3.32Å; M26-S30 WeakPolarHBondContact O-CB 3.41Å; M26-S30 PolarHBondContact O-N 3.41Å; M26-S30 PolarHBondContact O-OG 3.49Å; M26-L104 HydrophobicContact CE-CD2 3.62Å; M26-L104 HydrophobicContact CE-CG 3.84Å; M26-Q106 HydrophobicContact CE-CB 4Å; M26-Q106 HydrophobicContact CG-CB 3.88Å; M26-Q106 HydrophobicContact CG-CG 3.95Å; M26-Q106 HydrophobicContact SD-CB 3.79Å; M26-Q106 HydrophobicContact SD-CG 4.01Å
27E97Very high95.9Very high7 Ų722.8 Ų22.83%0.03313%0.125CC..Hα-helixtrans-61.7-44168.1-64.7-171.8-109.400111.2I20 G21 S23 P24 S30 L31 P50 I51 L54I20-E27 HydrophobicContact CG2-CG 4.09Å; I20-E27 VanDerWaalsContact O-OE1 3.06Å; G21-E27 WeakPolarHBondContact CA-OE1 3.37Å; S23-E27 PolarHBondContact O-N 3.23Å; P24-E27 WeakPolarHBondContact O-CB 3.46Å; P24-E27 PolarHBondContact O-N 3.36Å; E27-S30 WeakPolarHBondContact O-CB 3.1Å; E27-S30 PolarHBondContact O-N 2.93Å; E27-L31 WeakPolarHBondContact O-CB 3.34Å; E27-L31 PolarHBondContact O-N 2.98Å; E27-P50 WeakPolarHBondContact OE2-CA 3.27Å; E27-P50 WeakPolarHBondContact OE2-CB 3.3Å; E27-I51 HydrophobicContact CB-CD1 4.37Å; E27-I51 HydrophobicContact CB-CG1 4.49Å; E27-I51 PolarHBondContact OE2-N 3.5Å; E27-L54 HydrophobicContact CB-CD2 3.76Å; E27-L54 HydrophobicContact CG-CD2 3.88Å
28Y96.9Very high95.8Very high21 Ų2122.4 Ų22.48%0.08212%0.123CC..Hα-helixtrans-69.5-40.3178.3-56.9-25.2000112.4P24 R25 M26 S30 L31 S32 I51 F195 W420P24-Y28 HydrophobicContact CB-CE2 4.05Å; P24-Y28 WeakPolarHBondContact O-CB 3.16Å; P24-Y28 WeakPolarHBondContact O-CD1 3.36Å; P24-Y28 VanDerWaalsContact O-CD2 3.29Å; P24-Y28 WeakPolarHBondContact O-CD2 3.15Å; P24-Y28 PolarHBondContact O-N 3.41Å; R25-Y28 PolarHBondContact O-N 3.3Å; M26-Y28 VanDerWaalsContact C-N 3.35Å; Y28-S30 VanDerWaalsContact C-N 3.3Å; Y28-S30 PolarHBondContact O-N 2.83Å; Y28-L31 PolarHBondContact O-N 3.22Å; Y28-S32 WeakPolarHBondContact O-CB 3.44Å; Y28-S32 PolarHBondContact O-N 2.79Å; Y28-S32 PolarHBondContact O-OG 3.4Å; Y28-I51 HydrophobicContact CD1-CD1 3.96Å; Y28-I51 HydrophobicContact CE1-CD1 4.09Å; Y28-I51 HydrophobicContact CE1-CG2 4.42Å; Y28-F195 AromaticContact CD1-CD2 3.56Å; Y28-F195 HydrophobicContact CD1-CD2 3.56Å; Y28-F195 AromaticContact CD1-CE2 3.68Å; Y28-F195 HydrophobicContact CD1-CE2 3.68Å; Y28-F195 HydrophobicContact CD1-CG 4.06Å; Y28-F195 HydrophobicContact CD1-CZ 4.26Å; Y28-F195 AromaticContact CD2-CD2 3.98Å; Y28-F195 HydrophobicContact CD2-CD2 3.98Å; Y28-F195 HydrophobicContact CE1-CB 4.08Å; Y28-F195 HydrophobicContact CE1-CD1 4.08Å; Y28-F195 AromaticContact CE1-CD2 3.67Å; Y28-F195 HydrophobicContact CE1-CD2 3.67Å; Y28-F195 HydrophobicContact CE1-CE1 4.49Å; Y28-F195 HydrophobicContact CE1-CE2 4.13Å; Y28-F195 AromaticContact CE1-CG 3.66Å; Y28-F195 HydrophobicContact CE1-CG 3.66Å; Y28-F195 HydrophobicContact CE2-CB 3.97Å; Y28-F195 HydrophobicContact CE2-CD2 4.08Å; Y28-F195 HydrophobicContact CE2-CG 4.25Å; Y28-F195 AromaticContact CG-CD2 3.74Å; Y28-F195 HydrophobicContact CG-CD2 3.74Å; Y28-F195 AromaticContact CG-CE2 4Å; Y28-F195 HydrophobicContact CG-CE2 4Å; Y28-F195 AromaticContact CZ-CD2 3.93Å; Y28-F195 AromaticContact CZ-CG 3.77Å; Y28-W420 AromaticContact CD2-CD2 3.93Å; Y28-W420 HydrophobicContact CD2-CD2 3.93Å; Y28-W420 AromaticContact CD2-CE3 3.84Å; Y28-W420 HydrophobicContact CD2-CE3 3.84Å; Y28-W420 HydrophobicContact CD2-CG 4.43Å; Y28-W420 HydrophobicContact CD2-CH2 4.43Å; Y28-W420 HydrophobicContact CD2-CZ3 4.1Å; Y28-W420 HydrophobicContact CG-CD2 4.24Å; Y28-W420 HydrophobicContact CG-CZ2 4.49Å
29H98.1Very high95.9Very high0 Ų023.7 Ų23.70%013%0.125CC..Hα-helixtrans-57.4-45.9170.2-81.9-69.4000111.2R25 S32 L33 L104 D131 F190 W420 W424R25-H29 PolarHBondContact O-CD2 3.48Å; R25-H29 PolarHBondContact O-N 2.95Å; H29-S32 PolarHBondContact O-N 3.48Å; H29-L33 WeakPolarHBondContact O-CB 3.3Å; H29-L33 WeakPolarHBondContact O-CD1 3.44Å; H29-L33 WeakPolarHBondContact O-CG 3.23Å; H29-L33 PolarHBondContact O-N 3.43Å; H29-L104 HydrophobicContact CB-CD2 3.8Å; H29-D131 IonicContact CD2-OD2 3.62Å; H29-D131 IonicContact NE2-OD2 2.79Å; H29-D131 PolarHBondContact NE2-OD2 2.91Å; H29-F190 AromaticContact CE1-CD1 3.88Å; H29-F190 AromaticContact CE1-CE1 3.75Å; H29-F190 AromaticContact NE2-CE1 3.96Å; H29-W420 AromaticContact CD2-CH2 3.81Å; H29-W420 AromaticContact CD2-CZ2 3.92Å; H29-W420 AromaticContact CG-CZ2 3.98Å; H29-W420 AromaticContact NE2-CH2 3.66Å; H29-W420 AromaticContact NE2-CZ2 3.95Å; H29-W424 AromaticContact CE1-CD1 3.88Å; H29-W424 AromaticContact CE1-NE1 3.59Å; H29-W424 AromaticContact CG-NE1 3.89Å; H29-W424 AromaticContact ND1-CD1 3.67Å; H29-W424 AromaticContact ND1-NE1 2.97Å; H29-W424 PolarHBondContact ND1-NE1 2.92Å
30S98.5Very high96.1Very high0 Ų022.2 Ų22.20%012%0.117CC..Hα-helixtrans-62.2-45.6179.5-59.90000111.4M26 E27 Y28 L33 A34M26-S30 VanDerWaalsContact O-CB 3.32Å; M26-S30 WeakPolarHBondContact O-CB 3.41Å; M26-S30 PolarHBondContact O-N 3.41Å; M26-S30 PolarHBondContact O-OG 3.49Å; E27-S30 WeakPolarHBondContact O-CB 3.1Å; E27-S30 PolarHBondContact O-N 2.93Å; Y28-S30 VanDerWaalsContact C-N 3.3Å; Y28-S30 PolarHBondContact O-N 2.83Å; S30-L33 PolarHBondContact O-N 3.41Å; S30-A34 VanDerWaalsContact O-CB 3.32Å; S30-A34 WeakPolarHBondContact O-CB 3.33Å; S30-A34 PolarHBondContact O-N 3.29Å
31L97.5Very high96.2Very high0 Ų022.4 Ų22.40%012%0.117CC..Hα-helixtrans-66-46.2178.7-178.558000111.7E27 Y28 L33 A34 D35 I51 R53 L54 F195E27-L31 WeakPolarHBondContact O-CB 3.34Å; E27-L31 PolarHBondContact O-N 2.98Å; Y28-L31 PolarHBondContact O-N 3.22Å; L31-L33 VanDerWaalsContact C-N 3.32Å; L31-L33 PolarHBondContact O-N 3.01Å; L31-A34 PolarHBondContact O-N 3.04Å; L31-D35 WeakPolarHBondContact O-CB 3.3Å; L31-D35 PolarHBondContact O-N 3.39Å; L31-I51 HydrophobicContact CD2-CD1 3.72Å; L31-R53 HydrophobicContact CD1-CG 3.97Å; L31-R53 HydrophobicContact CD2-CB 4.4Å; L31-R53 HydrophobicContact CD2-CG 4.32Å; L31-L54 HydrophobicContact CB-CD1 3.97Å; L31-F195 HydrophobicContact CD2-CE1 4.43Å; L31-F195 HydrophobicContact CD2-CZ 3.72Å
32S97.5Very high96.5Very high6 Ų621.5 Ų21.54%0.04211%0.109CC..Hα-helixtrans-64-35.1178.6-60.10000112.7Y28 H29 K36 W420 W424Y28-S32 WeakPolarHBondContact O-CB 3.44Å; Y28-S32 PolarHBondContact O-N 2.79Å; Y28-S32 PolarHBondContact O-OG 3.4Å; H29-S32 PolarHBondContact O-N 3.48Å; S32-K36 WeakPolarHBondContact O-CG 3.38Å; S32-K36 PolarHBondContact O-N 3.14Å; S32-W420 PolarHBondContact OG-NE1 2.87Å; S32-W424 VanDerWaalsContact CB-CD2 3.48Å
33L97.5Very high96.9Very high1 Ų114.6 Ų14.61%0.0058%0.082CC..Hα-helixtrans-64.6-48.9171.5-75.7165.8000111.2V12 V14 H29 S30 L31 D35 K36 G37 V38 V40 W424 W429 F432V12-L33 HydrophobicContact CB-CD1 4.06Å; V12-L33 HydrophobicContact CG1-CD1 3.76Å; V12-L33 HydrophobicContact CG2-CD1 4.35Å; V12-L33 HydrophobicContact CG2-CD2 4.23Å; V14-L33 HydrophobicContact CG2-CD1 4.17Å; H29-L33 WeakPolarHBondContact O-CB 3.3Å; H29-L33 WeakPolarHBondContact O-CD1 3.44Å; H29-L33 WeakPolarHBondContact O-CG 3.23Å; H29-L33 PolarHBondContact O-N 3.43Å; S30-L33 PolarHBondContact O-N 3.41Å; L31-L33 VanDerWaalsContact C-N 3.32Å; L31-L33 PolarHBondContact O-N 3.01Å; L33-D35 VanDerWaalsContact C-N 3.33Å; L33-D35 PolarHBondContact O-N 2.92Å; L33-K36 WeakPolarHBondContact O-CA 3.43Å; L33-K36 WeakPolarHBondContact O-CB 3.35Å; L33-K36 PolarHBondContact O-N 3.25Å; L33-G37 PolarHBondContact O-N 3.46Å; L33-V38 HydrophobicContact CB-CB 4.24Å; L33-V38 HydrophobicContact CB-CG1 4.48Å; L33-V38 HydrophobicContact CD2-CG1 4.46Å; L33-V38 HydrophobicContact CD2-CG2 4.44Å; L33-V38 VanDerWaalsContact O-CB 3.3Å; L33-V38 WeakPolarHBondContact O-CB 3.26Å; L33-V38 PolarHBondContact O-N 2.81Å; L33-V38 VanDerWaalsContact O-N 3.14Å; L33-V40 HydrophobicContact CB-CG2 3.68Å; L33-V40 HydrophobicContact CD1-CG2 4.45Å; L33-W424 HydrophobicContact CD2-CH2 3.89Å; L33-W424 HydrophobicContact CD2-CZ2 3.93Å; L33-W424 HydrophobicContact CG-CH2 4.11Å; L33-W424 HydrophobicContact CG-CZ2 3.84Å; L33-W429 HydrophobicContact CD2-CZ3 4.4Å; L33-F432 HydrophobicContact CD1-CE1 4.29Å; L33-F432 HydrophobicContact CD1-CZ 4.03Å; L33-F432 HydrophobicContact CD2-CD1 4.08Å; L33-F432 HydrophobicContact CD2-CD2 4.16Å; L33-F432 HydrophobicContact CD2-CE1 4.13Å; L33-F432 HydrophobicContact CD2-CE2 4.21Å; L33-F432 HydrophobicContact CD2-CG 4.09Å; L33-F432 HydrophobicContact CD2-CZ 4.2Å
34A97.1Very high97.1Very high2 Ų214 Ų142%0.0178%0.078CC..Hα-helixtrans-62.8-40.1-178.300000111.9S30 L31 K36 G37 V40 H57 L59 V60S30-A34 VanDerWaalsContact O-CB 3.32Å; S30-A34 WeakPolarHBondContact O-CB 3.33Å; S30-A34 PolarHBondContact O-N 3.29Å; L31-A34 PolarHBondContact O-N 3.04Å; A34-K36 PolarHBondContact O-N 3.19Å; A34-G37 WeakPolarHBondContact O-CA 3.06Å; A34-G37 PolarHBondContact O-N 3.32Å; A34-V40 HydrophobicContact CB-CG2 4.18Å; A34-H57 WeakPolarHBondContact CB-CE1 3.3Å; A34-H57 WeakPolarHBondContact CB-ND1 3.43Å; A34-L59 HydrophobicContact CB-CB 4.35Å; A34-V60 HydrophobicContact CB-CG2 3.64Å
35D95.9Very high97.3Very high68 Ų6812.7 Ų12.736%0.3647%0.068SC..Hα-helixtrans-61.4-26.2173.3-78.2-14.4000113.1L31 L33 G37 R53 H57L31-D35 WeakPolarHBondContact O-CB 3.3Å; L31-D35 PolarHBondContact O-N 3.39Å; L33-D35 VanDerWaalsContact C-N 3.33Å; L33-D35 PolarHBondContact O-N 2.92Å; D35-G37 PolarHBondContact O-N 2.9Å; D35-R53 IonicContact OD1-CZ 3.63Å; D35-R53 IonicContact OD1-NH2 2.7Å; D35-R53 PolarHBondContact OD1-NH2 2.64Å; D35-R53 IonicContact OD2-CZ 3.83Å; D35-R53 IonicContact OD2-NH1 2.78Å; D35-R53 IonicContact OD2-NH2 3.53Å; D35-R53 PolarHBondContact OD2-NH2 3.25Å; D35-H57 IonicContact OD1-CD2 3.75Å; D35-H57 IonicContact OD1-NE2 3.81Å
36K94.7Very high97.3Very high61 Ų6115.5 Ų15.527%0.2659%0.087SC..THydrogen-bonded Turntrans-83.33.7172.8-66.8-66.6-179.4-1660113.1S32 L33 A34 W424 E425 W429S32-K36 WeakPolarHBondContact O-CG 3.38Å; S32-K36 PolarHBondContact O-N 3.14Å; L33-K36 WeakPolarHBondContact O-CA 3.43Å; L33-K36 WeakPolarHBondContact O-CB 3.35Å; L33-K36 PolarHBondContact O-N 3.25Å; A34-K36 PolarHBondContact O-N 3.19Å; K36-W424 HydrophobicContact CG-CZ3 4.15Å; K36-E425 IonicContact NZ-OE1 3.86Å; K36-E425 PolarHBondContact NZ-OE1 3.41Å; K36-E425 IonicContact NZ-OE2 3.49Å; K36-E425 PolarHBondContact NZ-OE2 3.47Å; K36-W429 HydrophobicContact CB-CE3 4.5Å; K36-W429 HydrophobicContact CB-CH2 3.89Å; K36-W429 HydrophobicContact CB-CZ2 4.33Å; K36-W429 HydrophobicContact CB-CZ3 3.99Å; K36-W429 HydrophobicContact CG-CD2 4.35Å; K36-W429 HydrophobicContact CG-CE3 4.21Å; K36-W429 HydrophobicContact CG-CH2 4.35Å; K36-W429 HydrophobicContact CG-CZ3 4.21Å
37G95.2Very high97Very high22 Ų2218.3 Ų18.323%0.22712%0.117CC..THydrogen-bonded Turntrans82.818.4-179.200000114L33 A34 D35L33-G37 PolarHBondContact O-N 3.46Å; A34-G37 WeakPolarHBondContact O-CA 3.06Å; A34-G37 PolarHBondContact O-N 3.32Å; D35-G37 PolarHBondContact O-N 2.9Å
38V96.3Very high96.7Very high1 Ų120 Ų201%0.00613%0.129CC..  trans-87.3136.7177.5178.40000109.5A10 V12 L33 V40 W429A10-V38 HydrophobicContact CB-CG1 4.42Å; A10-V38 WeakPolarHBondContact O-CG1 3.26Å; V12-V38 HydrophobicContact CB-CG1 4.08Å; V12-V38 HydrophobicContact CG2-CG1 3.53Å; L33-V38 HydrophobicContact CB-CB 4.24Å; L33-V38 HydrophobicContact CB-CG1 4.48Å; L33-V38 HydrophobicContact CD2-CG1 4.46Å; L33-V38 HydrophobicContact CD2-CG2 4.44Å; L33-V38 VanDerWaalsContact O-CB 3.3Å; L33-V38 WeakPolarHBondContact O-CB 3.26Å; L33-V38 PolarHBondContact O-N 2.81Å; L33-V38 VanDerWaalsContact O-N 3.14Å; V38-V40 PolarHBondContact O-N 2.9Å; V38-W429 HydrophobicContact CG2-CH2 4.08Å; V38-W429 HydrophobicContact CG2-CZ3 4.07Å
39N98Very high96.5Very high49 Ų4926.2 Ų26.226%0.26216%0.164SC..EExtended strand (participates in β ladder)trans-74.1123.7172.4-66.1-90.6000109.2A10 R11 V12A10-N39 PolarHBondContact O-N 3.43Å; R11-N39 CarbonylContact C-O 3.27Å; R11-N39 VanDerWaalsContact CA-O 3.26Å; R11-N39 WeakPolarHBondContact CA-O 3.42Å; R11-N39 HydrophobicContact CB-CB 4.25Å; R11-N39 HydrophobicContact CG-CB 4.04Å; V12-N39 PolarHBondContact N-O 2.82Å
40V98.4Very high96.2Very high1 Ų127.2 Ų27.21%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-111.7121.9-176.4-179.60000110.7V12 V14 L33 A34 V38 L42 L59 V60 T61V12-V40 WeakPolarHBondContact O-CA 3.32Å; V14-V40 HydrophobicContact CB-CG1 4.48Å; V14-V40 HydrophobicContact CG2-CG1 3.87Å; L33-V40 HydrophobicContact CB-CG2 3.68Å; L33-V40 HydrophobicContact CD1-CG2 4.45Å; A34-V40 HydrophobicContact CB-CG2 4.18Å; V38-V40 PolarHBondContact O-N 2.9Å; V40-L42 HydrophobicContact CG1-CB 4.47Å; V40-L59 PolarHBondContact N-O 3.43Å; V40-V60 HydrophobicContact CB-CG2 4.2Å; V40-V60 WeakPolarHBondContact O-CA 3.47Å; V40-T61 PolarHBondContact O-N 3.4Å
41E98.6Very high95.8Very high7 Ų729.4 Ų29.43%0.03318%0.182CC..EExtended strand (participates in β ladder)trans-102.3100.8172.1-50.7-70.4174.600108R11 V12 C13 V14 T61 H63 V97R11-E41 WeakPolarHBondContact CD-OE1 3.18Å; R11-E41 HydrophobicContact CG-CG 3.94Å; R11-E41 IonicContact CZ-OE1 3.36Å; R11-E41 IonicContact NE-OE1 3.67Å; R11-E41 IonicContact NH1-OE1 3.76Å; R11-E41 PolarHBondContact NH1-OE1 2.95Å; V12-E41 PolarHBondContact O-N 3.21Å; C13-E41 CarbonylContact C-O 3.56Å; C13-E41 VanDerWaalsContact CA-O 3.31Å; C13-E41 WeakPolarHBondContact CA-O 3.37Å; C13-E41 HydrophobicContact CB-CB 4.41Å; V14-E41 PolarHBondContact N-O 2.92Å; E41-T61 WeakPolarHBondContact OE2-CB 3.48Å; E41-H63 IonicContact OE2-CD2 2.68Å; E41-H63 IonicContact OE2-CE1 3.7Å; E41-H63 IonicContact OE2-NE2 3.6Å; E41-H63 PolarHBondContact OE2-NE2 2.68Å; E41-V97 HydrophobicContact CB-CG1 3.61Å; E41-V97 HydrophobicContact CG-CG1 3.75Å
42L98.7Very high95.5Very high0 Ų031.2 Ų31.20%020%0.2CC..EExtended strand (participates in β ladder)trans-97110.2-174.2-179.755.1000110.8V14 V16 I20 V40 L54 V60 T61 F62 H63V14-L42 HydrophobicContact CB-CD1 3.78Å; V14-L42 HydrophobicContact CG1-CD1 3.69Å; V16-L42 HydrophobicContact CG2-CD1 4.28Å; I20-L42 HydrophobicContact CD1-CD2 4.39Å; I20-L42 HydrophobicContact CD1-CG 3.96Å; I20-L42 HydrophobicContact CG1-CG 4.43Å; I20-L42 HydrophobicContact CG2-CD2 3.8Å; I20-L42 HydrophobicContact CG2-CG 4.41Å; V40-L42 HydrophobicContact CG1-CB 4.47Å; L42-L54 HydrophobicContact CD2-CD2 3.89Å; L42-V60 HydrophobicContact CB-CG1 4.48Å; L42-T61 PolarHBondContact N-O 3.49Å; L42-F62 HydrophobicContact CD2-CD1 4.07Å; L42-F62 HydrophobicContact CD2-CE1 3.66Å; L42-F62 HydrophobicContact CD2-CZ 4.35Å; L42-F62 HydrophobicContact CG-CD1 4.41Å; L42-F62 HydrophobicContact CG-CE1 4.48Å; L42-H63 PolarHBondContact O-N 2.93Å
43I98.7Very high95.2Very high0 Ų037 Ų370%022%0.221CC..EExtended strand (participates in β ladder)trans-99.9132.9179.8-52.3-178000110.1C13 V14 V15 V16 H63 L65 L89 L93 V97C13-I43 WeakPolarHBondContact SG-CD1 3.29Å; V14-I43 PolarHBondContact O-N 2.92Å; V15-I43 HydrophobicContact CG2-CD1 4.26Å; V16-I43 PolarHBondContact N-O 2.84Å; I43-H63 WeakPolarHBondContact CA-O 3.49Å; I43-H63 HydrophobicContact CG1-CB 4.08Å; I43-L65 HydrophobicContact CG2-CD1 3.94Å; I43-L65 HydrophobicContact CG2-CD2 3.78Å; I43-L65 HydrophobicContact CG2-CG 3.75Å; I43-L89 HydrophobicContact CG2-CD1 3.99Å; I43-L93 HydrophobicContact CD1-CD2 3.41Å; I43-L93 VanDerWaalsContact CD1-CD2 3.41Å; I43-L93 HydrophobicContact CD1-CG 3.68Å; I43-V97 HydrophobicContact CD1-CG2 3.69Å; I43-V97 HydrophobicContact CG1-CG2 4.02Å
44G98.2Very high95.1Very high0 Ų036.9 Ų36.90%022%0.221CC..EExtended strand (participates in β ladder)trans175.4-165.8169.600000113V16 H63 Y64 L65V16-G44 WeakPolarHBondContact O-CA 3.47Å; G44-H63 PolarHBondContact N-O 2.86Å; G44-Y64 CarbonylContact O-C 3.58Å; G44-Y64 VanDerWaalsContact O-CA 3.23Å; G44-Y64 WeakPolarHBondContact O-CA 3.31Å; G44-L65 PolarHBondContact O-N 2.82Å
45Y97.9Very high95Very high18 Ų1839.4 Ų39.47%0.07124%0.242CC..EExtended strand (participates in β ladder)trans-88.5145.4174.4-64.1-78.1000110.7L17 G18 I20 L65 P66 E67 Q85L17-Y45 HydrophobicContact CD1-CE2 3.92Å; L17-Y45 HydrophobicContact CG-CE2 4.4Å; G18-Y45 PolarHBondContact O-N 3.46Å; I20-Y45 PolarHBondContact N-O 2.9Å; Y45-L65 HydrophobicContact CD1-CB 4.06Å; Y45-L65 WeakPolarHBondContact CD1-O 3.5Å; Y45-L65 HydrophobicContact CE1-CB 3.76Å; Y45-L65 HydrophobicContact CE2-CD1 4.5Å; Y45-P66 WeakPolarHBondContact CE1-O 3.02Å; Y45-E67 HydrophobicContact CD1-CG 4.18Å; Y45-Q85 WeakPolarHBondContact OH-CG 3.35Å
46S95.5Very high95.1Very high60 Ų6044.2 Ų44.242%0.4226%0.262SS..  trans-72.7159.5162.953.80000110.1
47G91Very high95.2Very high60 Ų6043 Ų4362%0.61926%0.257SS*.  trans168-92.8176.700000109.7
48S90.6Very high95.3Very high43 Ų4350.3 Ų50.330%0.30129%0.285SS..SBendtrans-68.4149.3168.1-70.80000111.3D19 G21 R22D19-S48 PolarHBondContact OD1-N 3.36Å; D19-S48 VanDerWaalsContact OD1-N 3.14Å; D19-S48 PolarHBondContact OD2-N 2.98Å; D19-S48 PolarHBondContact OD2-OG 3.33Å; G21-S48 WeakPolarHBondContact O-CB 3.01Å; R22-S48 PolarHBondContact NE-OG 2.89Å
49N91.9Very high95.4Very high151 Ų15152.3 Ų52.381%0.80730%0.296SS*.PPolyproline II helixtrans-67.6131.6173.7-69.8-29.7000109.8
50P92.8Very high95.4Very high22 Ų2250.6 Ų50.614%0.14329%0.287CS..PPolyproline II helixtrans-63.2163.4167.6-18.431.2000111.6I20 E27 G52 L54 F62I20-P50 HydrophobicContact CG2-CB 4.49Å; I20-P50 HydrophobicContact CG2-CG 4.24Å; E27-P50 WeakPolarHBondContact OE2-CA 3.27Å; E27-P50 WeakPolarHBondContact OE2-CB 3.3Å; P50-G52 PolarHBondContact O-N 3.02Å; P50-L54 HydrophobicContact CB-CD2 4.37Å; P50-F62 HydrophobicContact CB-CE1 4.14Å; P50-F62 HydrophobicContact CB-CZ 4.22Å; P50-F62 HydrophobicContact CG-CE1 3.73Å; P50-F62 HydrophobicContact CG-CZ 4.12Å
51I90.3Very high95.4Very high46 Ų4653.8 Ų53.824%0.23631%0.306CS..PPolyproline II helixtrans-55.3135.2174.164.7178.2000110.3E27 Y28 L31 R53 L54 A55E27-I51 HydrophobicContact CB-CD1 4.37Å; E27-I51 HydrophobicContact CB-CG1 4.49Å; E27-I51 PolarHBondContact OE2-N 3.5Å; Y28-I51 HydrophobicContact CD1-CD1 3.96Å; Y28-I51 HydrophobicContact CE1-CD1 4.09Å; Y28-I51 HydrophobicContact CE1-CG2 4.42Å; L31-I51 HydrophobicContact CD2-CD1 3.72Å; I51-R53 VanDerWaalsContact C-N 3.26Å; I51-R53 PolarHBondContact O-N 3.08Å; I51-R53 VanDerWaalsContact O-N 3.13Å; I51-L54 HydrophobicContact CD1-CB 3.97Å; I51-L54 HydrophobicContact CG1-CB 3.37Å; I51-L54 HydrophobicContact CG1-CD2 4.42Å; I51-L54 WeakPolarHBondContact O-CB 3.33Å; I51-L54 PolarHBondContact O-N 3.1Å; I51-A55 PolarHBondContact O-N 3.38Å
52G90.3Very high95.4Very high37 Ų3755.3 Ų55.338%0.38131%0.313SS..Hα-helixtrans-54.9-40.1-170.300000113.8P50 L54 A55 Q56P50-G52 PolarHBondContact O-N 3.02Å; G52-L54 PolarHBondContact O-N 3.21Å; G52-A55 PolarHBondContact O-N 3.44Å; G52-Q56 VanDerWaalsContact O-CG 3.28Å; G52-Q56 WeakPolarHBondContact O-CG 3.46Å; G52-Q56 PolarHBondContact O-N 3.01Å
53R92.1Very high95.4Very high127 Ų12755.9 Ų55.948%0.47932%0.316SS..Hα-helixtrans-65.5-38178.2-172176.8167.2-157-5.7112.8L31 D35 I51 H57L31-R53 HydrophobicContact CD1-CG 3.97Å; L31-R53 HydrophobicContact CD2-CB 4.4Å; L31-R53 HydrophobicContact CD2-CG 4.32Å; D35-R53 IonicContact OD1-CZ 3.63Å; D35-R53 IonicContact OD1-NH2 2.7Å; D35-R53 PolarHBondContact OD1-NH2 2.64Å; D35-R53 IonicContact OD2-CZ 3.83Å; D35-R53 IonicContact OD2-NH1 2.78Å; D35-R53 IonicContact OD2-NH2 3.53Å; D35-R53 PolarHBondContact OD2-NH2 3.25Å; I51-R53 VanDerWaalsContact C-N 3.26Å; I51-R53 PolarHBondContact O-N 3.08Å; I51-R53 VanDerWaalsContact O-N 3.13Å; R53-H57 WeakPolarHBondContact O-CB 3.45Å; R53-H57 PolarHBondContact O-N 3.39Å
54L95.5Very high95.3Very high0 Ų060.2 Ų60.20%033%0.333CS..Hα-helixtrans-68.8-44.8176.9-178.375.1000110.8E27 L31 L42 P50 I51 G52 Q56 H57 V60 F62E27-L54 HydrophobicContact CB-CD2 3.76Å; E27-L54 HydrophobicContact CG-CD2 3.88Å; L31-L54 HydrophobicContact CB-CD1 3.97Å; L42-L54 HydrophobicContact CD2-CD2 3.89Å; P50-L54 HydrophobicContact CB-CD2 4.37Å; I51-L54 HydrophobicContact CD1-CB 3.97Å; I51-L54 HydrophobicContact CG1-CB 3.37Å; I51-L54 HydrophobicContact CG1-CD2 4.42Å; I51-L54 WeakPolarHBondContact O-CB 3.33Å; I51-L54 PolarHBondContact O-N 3.1Å; G52-L54 PolarHBondContact O-N 3.21Å; L54-Q56 PolarHBondContact O-N 3.38Å; L54-H57 PolarHBondContact O-N 3.43Å; L54-H57 VanDerWaalsContact O-N 3.15Å; L54-V60 HydrophobicContact CD1-CG1 4.07Å; L54-V60 HydrophobicContact CD1-CG2 3.84Å; L54-V60 HydrophobicContact CG-CG1 4.38Å; L54-F62 HydrophobicContact CD2-CE1 4.39Å; L54-F62 HydrophobicContact CD2-CZ 4.11Å; L54-F62 HydrophobicContact CG-CZ 4.01Å
55A95.1Very high95.3Very high55 Ų5560.5 Ų60.546%0.45533%0.334SS..Hα-helixtrans-60.2-27.1179.100000113.1I51 G52I51-A55 PolarHBondContact O-N 3.38Å; G52-A55 PolarHBondContact O-N 3.44Å
56Q96.5Very high95.3Very high169 Ų16963 Ų6379%0.7935%0.352SS*.THydrogen-bonded Turntrans-99-2.9-179.2-64.8170.31400113.6G52 L54 E58G52-Q56 VanDerWaalsContact O-CG 3.28Å; G52-Q56 WeakPolarHBondContact O-CG 3.46Å; G52-Q56 PolarHBondContact O-N 3.01Å; L54-Q56 PolarHBondContact O-N 3.38Å; Q56-E58 PolarHBondContact O-N 2.9Å
57H97.8Very high95.3Very high36 Ų3666.6 Ų66.617%0.16736%0.363CS..  trans-76.9122.3-173.6-164-63.3000111.5A34 D35 R53 L54 L59 V60A34-H57 WeakPolarHBondContact CB-CE1 3.3Å; A34-H57 WeakPolarHBondContact CB-ND1 3.43Å; D35-H57 IonicContact OD1-CD2 3.75Å; D35-H57 IonicContact OD1-NE2 3.81Å; R53-H57 WeakPolarHBondContact O-CB 3.45Å; R53-H57 PolarHBondContact O-N 3.39Å; L54-H57 PolarHBondContact O-N 3.43Å; L54-H57 VanDerWaalsContact O-N 3.15Å; H57-L59 VanDerWaalsContact C-N 3.28Å; H57-L59 PolarHBondContact ND1-N 2.96Å; H57-L59 PolarHBondContact O-N 2.89Å; H57-V60 HydrophobicContact CB-CB 4.29Å; H57-V60 HydrophobicContact CB-CG2 3.78Å; H57-V60 PolarHBondContact O-N 3.29Å
58E97.4Very high95.4Very high175 Ų17565 Ų6582%0.81834%0.341SS*.THydrogen-bonded Turntrans-62.3-29.6-172.565.9-179.1178.300114.8Q56 V60Q56-E58 PolarHBondContact O-N 2.9Å; E58-V60 VanDerWaalsContact C-N 3.31Å
59L97.7Very high95.6Very high42 Ų4265.6 Ų65.622%0.2234%0.344CS..THydrogen-bonded Turntrans-84.52.1177.3-58.1-177.1000114.1A34 V40 H57A34-L59 HydrophobicContact CB-CB 4.35Å; V40-L59 PolarHBondContact N-O 3.43Å; H57-L59 VanDerWaalsContact C-N 3.28Å; H57-L59 PolarHBondContact ND1-N 2.96Å; H57-L59 PolarHBondContact O-N 2.89Å
60V98.4Very high95.6Very high14 Ų1466.1 Ų66.19%0.08535%0.346CS..EExtended strand (participates in β ladder)trans-108121.7-179.2-178.40000109.7A34 V40 L42 L54 H57 E58 F62A34-V60 HydrophobicContact CB-CG2 3.64Å; V40-V60 HydrophobicContact CB-CG2 4.2Å; V40-V60 WeakPolarHBondContact O-CA 3.47Å; L42-V60 HydrophobicContact CB-CG1 4.48Å; L54-V60 HydrophobicContact CD1-CG1 4.07Å; L54-V60 HydrophobicContact CD1-CG2 3.84Å; L54-V60 HydrophobicContact CG-CG1 4.38Å; H57-V60 HydrophobicContact CB-CB 4.29Å; H57-V60 HydrophobicContact CB-CG2 3.78Å; H57-V60 PolarHBondContact O-N 3.29Å; E58-V60 VanDerWaalsContact C-N 3.31Å; V60-F62 HydrophobicContact CG1-CD2 4.23Å; V60-F62 HydrophobicContact CG1-CE2 3.78Å; V60-F62 HydrophobicContact CG1-CZ 4.11Å
61T98.4Very high95.5Very high67 Ų6767.3 Ų67.341%0.41135%0.353SS..EExtended strand (participates in β ladder)trans-114123.4173.9-59.50000110.1V40 E41 L42 H63V40-T61 PolarHBondContact O-N 3.4Å; E41-T61 WeakPolarHBondContact OE2-CB 3.48Å; L42-T61 PolarHBondContact N-O 3.49Å; T61-H63 PolarHBondContact O-CD2 3.22Å
62F98.4Very high95.6Very high40 Ų4074.5 Ų74.518%0.17538%0.382CS..EExtended strand (participates in β ladder)trans-87.9132.4178.9-67.6-97.8000111.8I20 L42 P50 L54 V60 Y64I20-F62 HydrophobicContact CD1-CD1 4.13Å; I20-F62 HydrophobicContact CG2-CE1 4.22Å; L42-F62 HydrophobicContact CD2-CD1 4.07Å; L42-F62 HydrophobicContact CD2-CE1 3.66Å; L42-F62 HydrophobicContact CD2-CZ 4.35Å; L42-F62 HydrophobicContact CG-CD1 4.41Å; L42-F62 HydrophobicContact CG-CE1 4.48Å; P50-F62 HydrophobicContact CB-CE1 4.14Å; P50-F62 HydrophobicContact CB-CZ 4.22Å; P50-F62 HydrophobicContact CG-CE1 3.73Å; P50-F62 HydrophobicContact CG-CZ 4.12Å; L54-F62 HydrophobicContact CD2-CE1 4.39Å; L54-F62 HydrophobicContact CD2-CZ 4.11Å; L54-F62 HydrophobicContact CG-CZ 4.01Å; V60-F62 HydrophobicContact CG1-CD2 4.23Å; V60-F62 HydrophobicContact CG1-CE2 3.78Å; V60-F62 HydrophobicContact CG1-CZ 4.11Å; F62-Y64 HydrophobicContact CB-CD2 4.49Å; F62-Y64 HydrophobicContact CB-CE1 4.47Å; F62-Y64 HydrophobicContact CB-CE2 3.88Å; F62-Y64 HydrophobicContact CD1-CE1 4.22Å; F62-Y64 AromaticContact CD1-CZ 3.93Å; F62-Y64 WeakPolarHBondContact CD1-OH 3.49Å
63H98.3Very high95.6Very high12 Ų1276.8 Ų76.86%0.05639%0.391CS..EExtended strand (participates in β ladder)trans-122.187.5176.1-63.2-84.8000110.5E41 L42 I43 G44 T61 L65 R96 V97E41-H63 IonicContact OE2-CD2 2.68Å; E41-H63 IonicContact OE2-CE1 3.7Å; E41-H63 IonicContact OE2-NE2 3.6Å; E41-H63 PolarHBondContact OE2-NE2 2.68Å; L42-H63 PolarHBondContact O-N 2.93Å; I43-H63 WeakPolarHBondContact CA-O 3.49Å; I43-H63 HydrophobicContact CG1-CB 4.08Å; G44-H63 PolarHBondContact N-O 2.86Å; T61-H63 PolarHBondContact O-CD2 3.22Å; H63-L65 PolarHBondContact O-N 2.69Å; H63-R96 PolarHBondContact ND1-NE 2.79Å; H63-V97 HydrophobicContact CB-CG2 4.29Å
64Y98.2Very high95.4Very high90 Ų9081.4 Ų81.435%0.35341%0.408SS..EExtended strand (participates in β ladder)trans-71.9128.3-179.4-60.4-64.5000112.5I20 G44 F62I20-Y64 HydrophobicContact CD1-CD1 4.13Å; I20-Y64 HydrophobicContact CD1-CE1 3.83Å; G44-Y64 CarbonylContact O-C 3.58Å; G44-Y64 VanDerWaalsContact O-CA 3.23Å; G44-Y64 WeakPolarHBondContact O-CA 3.31Å; F62-Y64 HydrophobicContact CB-CD2 4.49Å; F62-Y64 HydrophobicContact CB-CE1 4.47Å; F62-Y64 HydrophobicContact CB-CE2 3.88Å; F62-Y64 HydrophobicContact CD1-CE1 4.22Å; F62-Y64 AromaticContact CD1-CZ 3.93Å; F62-Y64 WeakPolarHBondContact CD1-OH 3.49Å
65L98.3Very high95Very high7 Ų788 Ų884%0.03744%0.443CS..PPolyproline II helixtrans-80.2142.5174.1-62.7177.1000110.4L17 I43 G44 Y45 H63 L89 C92L17-L65 HydrophobicContact CD1-CD1 3.78Å; I43-L65 HydrophobicContact CG2-CD1 3.94Å; I43-L65 HydrophobicContact CG2-CD2 3.78Å; I43-L65 HydrophobicContact CG2-CG 3.75Å; G44-L65 PolarHBondContact O-N 2.82Å; Y45-L65 HydrophobicContact CD1-CB 4.06Å; Y45-L65 WeakPolarHBondContact CD1-O 3.5Å; Y45-L65 HydrophobicContact CE1-CB 3.76Å; Y45-L65 HydrophobicContact CE2-CD1 4.5Å; H63-L65 PolarHBondContact O-N 2.69Å; L65-L89 HydrophobicContact CD1-CD1 4.16Å; L65-C92 HydrophobicContact CD2-CB 3.65Å
66P96.8Very high94.8Very high69 Ų6989.4 Ų89.445%0.44844%0.442SS..PPolyproline II helixtrans-69.413617429.8-35.1000110.9Y45 W84Y45-P66 WeakPolarHBondContact CE1-O 3.02Å; P66-W84 HydrophobicContact CB-CZ2 4.13Å; P66-W84 HydrophobicContact CG-CZ2 4.22Å; P66-W84 PolarHBondContact O-NE1 3.5Å
67E94.9Very high94.6Very high137 Ų13783.4 Ų83.464%0.6441%0.414SS*.PPolyproline II helixtrans-63.4142.9178-68.8-168176.700112.4Y45 W84Y45-E67 HydrophobicContact CD1-CG 4.18Å; E67-W84 PolarHBondContact O-NE1 2.85Å
68P93.7Very high94.3Very high26 Ų2685.6 Ų85.617%0.16943%0.426CS..PPolyproline II helixtrans-68.1140.9175.828.8-34.3000111.2K81 W84P68-K81 HydrophobicContact CB-CB 4.37Å; P68-K81 HydrophobicContact CB-CG 4.26Å; P68-K81 HydrophobicContact CG-CG 4.07Å; P68-W84 VanDerWaalsContact CA-CD1 3.41Å; P68-W84 HydrophobicContact CB-CB 4.06Å; P68-W84 HydrophobicContact CB-CG 3.89Å
69P93.9Very high94.1Very high56 Ų5679.2 Ų79.236%0.36440%0.404SS..PPolyproline II helixtrans-64.4141.617826.4-33.8000111.6V71 H77 V80 W84P69-V71 HydrophobicContact CB-CG2 4.47Å; P69-V71 PolarHBondContact O-N 3.35Å; P69-H77 PolarHBondContact O-ND1 3.06Å; P69-V80 HydrophobicContact CG-CG1 3.87Å; P69-W84 HydrophobicContact CG-CE3 4.22Å; P69-W84 HydrophobicContact CG-CZ3 4.4Å
70L92Very high94Very high162 Ų16279.1 Ų79.185%0.84841%0.405SS*.PPolyproline II helixtrans-75.7119.5172.1-64176000109.3
71V92.1Very high93.8Very high47 Ų4782.2 Ų82.229%0.28542%0.417SS..  trans-126.2151.4-177.2-177.80000109.3P69 L76 H77 V80P69-V71 HydrophobicContact CB-CG2 4.47Å; P69-V71 PolarHBondContact O-N 3.35Å; V71-L76 HydrophobicContact CG1-CB 4.46Å; V71-L76 HydrophobicContact CG1-CD2 3.57Å; V71-L76 HydrophobicContact CG1-CG 3.76Å; V71-H77 WeakPolarHBondContact O-CB 3.29Å; V71-V80 HydrophobicContact CG2-CB 4.47Å; V71-V80 HydrophobicContact CG2-CG1 4.1Å; V71-V80 HydrophobicContact CG2-CG2 4.37Å
72K91Very high93.7Very high196 Ų19682 Ų8285%0.85241%0.413SS*.SBendtrans-118.2144.4169.7-67.3-179.6-179.6177.10108.7
73P92.1Very high93.7Very high86 Ų8686.1 Ų86.156%0.55843%0.431SS*.SBendcis-78.9174.53.433.7-37.9000113.8L75 L76 H77P73-L75 VanDerWaalsContact C-N 3.3Å; P73-L75 PolarHBondContact O-N 3.07Å; P73-L76 HydrophobicContact CG-CB 4.12Å; P73-L76 WeakPolarHBondContact O-CB 3.35Å; P73-L76 PolarHBondContact O-N 2.78Å; P73-L76 VanDerWaalsContact O-N 3.07Å; P73-H77 PolarHBondContact O-N 2.61Å
74R86.8Confident93.6Very high224 Ų22490.3 Ų90.385%0.84545%0.447SS*.Hα-helixtrans-53.5-40.6-177.9-72.3-176.7177.3173.2-0.9113.7H77 L78R74-H77 WeakPolarHBondContact O-CB 3.23Å; R74-H77 PolarHBondContact O-N 2.82Å; R74-L78 WeakPolarHBondContact O-CG 3.11Å; R74-L78 PolarHBondContact O-N 3.44Å
75L87.1Confident93.6Very high138 Ų13886.9 Ų86.972%0.72343%0.434SS*.Hα-helixtrans-64.5-42.1178.3-68.4173.1000112P73 H77 L78 A79P73-L75 VanDerWaalsContact C-N 3.3Å; P73-L75 PolarHBondContact O-N 3.07Å; L75-H77 VanDerWaalsContact C-N 3.33Å; L75-L78 PolarHBondContact O-N 2.81Å; L75-A79 PolarHBondContact O-N 3.37Å
76L91.3Very high93.6Very high84 Ų8488.5 Ų88.544%0.4444%0.442SS..Hα-helixtrans-64.9-39.8175.2-177.760.1000110.9V71 P73 L78 A79 V80V71-L76 HydrophobicContact CG1-CB 4.46Å; V71-L76 HydrophobicContact CG1-CD2 3.57Å; V71-L76 HydrophobicContact CG1-CG 3.76Å; P73-L76 HydrophobicContact CG-CB 4.12Å; P73-L76 WeakPolarHBondContact O-CB 3.35Å; P73-L76 PolarHBondContact O-N 2.78Å; P73-L76 VanDerWaalsContact O-N 3.07Å; L76-L78 VanDerWaalsContact C-N 3.35Å; L76-L78 PolarHBondContact O-N 3.36Å; L76-A79 PolarHBondContact O-N 2.83Å; L76-V80 HydrophobicContact CD1-CG2 4.11Å; L76-V80 HydrophobicContact CG-CG2 4.24Å; L76-V80 WeakPolarHBondContact O-CB 3.37Å; L76-V80 VanDerWaalsContact O-CG2 3.26Å; L76-V80 WeakPolarHBondContact O-CG2 3.47Å; L76-V80 PolarHBondContact O-N 2.91Å
77H92.9Very high93.7Very high44 Ų4490.5 Ų90.520%0.20445%0.449CS..Hα-helixtrans-59.2-43.1174.4-17755.8000112.9P69 V71 P73 R74 L75 V80 K81P69-H77 PolarHBondContact O-ND1 3.06Å; V71-H77 WeakPolarHBondContact O-CB 3.29Å; P73-H77 PolarHBondContact O-N 2.61Å; R74-H77 WeakPolarHBondContact O-CB 3.23Å; R74-H77 PolarHBondContact O-N 2.82Å; L75-H77 VanDerWaalsContact C-N 3.33Å; H77-V80 PolarHBondContact O-N 2.87Å; H77-K81 WeakPolarHBondContact O-CB 3.29Å; H77-K81 PolarHBondContact O-N 2.88Å
78L90.6Very high93.8Very high81 Ų8184.6 Ų84.642%0.42442%0.423SS..Hα-helixtrans-62.4-44.3178.2-69.7174.1000111.6R74 L75 L76 K81 L82 W144R74-L78 WeakPolarHBondContact O-CG 3.11Å; R74-L78 PolarHBondContact O-N 3.44Å; L75-L78 PolarHBondContact O-N 2.81Å; L76-L78 VanDerWaalsContact C-N 3.35Å; L76-L78 PolarHBondContact O-N 3.36Å; L78-K81 PolarHBondContact O-N 2.9Å; L78-L82 WeakPolarHBondContact O-CB 3.11Å; L78-L82 PolarHBondContact O-N 3.2Å; L78-W144 HydrophobicContact CD1-CH2 4.14Å; L78-W144 HydrophobicContact CD1-CZ2 3.78Å
79A93Very high94.1Very high41 Ų4183.4 Ų83.434%0.33942%0.415SS..Hα-helixtrans-63.7-49.6176.500000111.5L75 L76 K81 L82 F83L75-A79 PolarHBondContact O-N 3.37Å; L76-A79 PolarHBondContact O-N 2.83Å; A79-K81 VanDerWaalsContact C-N 3.32Å; A79-K81 PolarHBondContact O-N 2.99Å; A79-L82 PolarHBondContact O-N 3.22Å; A79-F83 WeakPolarHBondContact O-CD2 3.34Å; A79-F83 PolarHBondContact O-N 3.03Å
80V95.6Very high94.3Very high41 Ų4183.2 Ų83.225%0.24841%0.411CS..Hα-helixtrans-58.7-44.6177.5170.10000110.9P69 V71 L76 H77 L82 F83 W84P69-V80 HydrophobicContact CG-CG1 3.87Å; V71-V80 HydrophobicContact CG2-CB 4.47Å; V71-V80 HydrophobicContact CG2-CG1 4.1Å; V71-V80 HydrophobicContact CG2-CG2 4.37Å; L76-V80 HydrophobicContact CD1-CG2 4.11Å; L76-V80 HydrophobicContact CG-CG2 4.24Å; L76-V80 WeakPolarHBondContact O-CB 3.37Å; L76-V80 VanDerWaalsContact O-CG2 3.26Å; L76-V80 WeakPolarHBondContact O-CG2 3.47Å; L76-V80 PolarHBondContact O-N 2.91Å; H77-V80 PolarHBondContact O-N 2.87Å; V80-L82 PolarHBondContact O-N 2.77Å; V80-F83 PolarHBondContact O-N 3.17Å; V80-W84 WeakPolarHBondContact O-CB 3.21Å; V80-W84 PolarHBondContact O-N 3.13Å
81K95.6Very high94.6Very high79 Ų7981.3 Ų81.334%0.34340%0.395SS..Hα-helixtrans-58.7-48.3176.5177.8174.1-179.8179.40111.3P68 H77 L78 A79 W84 Q85P68-K81 HydrophobicContact CB-CB 4.37Å; P68-K81 HydrophobicContact CB-CG 4.26Å; P68-K81 HydrophobicContact CG-CG 4.07Å; H77-K81 WeakPolarHBondContact O-CB 3.29Å; H77-K81 PolarHBondContact O-N 2.88Å; L78-K81 PolarHBondContact O-N 2.9Å; A79-K81 VanDerWaalsContact C-N 3.32Å; A79-K81 PolarHBondContact O-N 2.99Å; K81-W84 PolarHBondContact O-N 2.91Å; K81-Q85 HydrophobicContact CG-CG 4.34Å; K81-Q85 VanDerWaalsContact O-CB 3.29Å; K81-Q85 WeakPolarHBondContact O-CB 3.4Å; K81-Q85 WeakPolarHBondContact O-CG 3.27Å; K81-Q85 PolarHBondContact O-N 3.48Å
82L95.8Very high94.9Very high63 Ų6379.3 Ų79.333%0.3338%0.383SS..Hα-helixtrans-58.9-50.3179.1177.163.7000111.8L78 A79 V80 Q85 L86 L111 P112L78-L82 WeakPolarHBondContact O-CB 3.11Å; L78-L82 PolarHBondContact O-N 3.2Å; A79-L82 PolarHBondContact O-N 3.22Å; V80-L82 PolarHBondContact O-N 2.77Å; L82-Q85 PolarHBondContact O-N 3.45Å; L82-L86 WeakPolarHBondContact O-CB 3.43Å; L82-L86 PolarHBondContact O-N 3.19Å; L82-L111 HydrophobicContact CD1-CB 4.06Å; L82-P112 HydrophobicContact CD1-CB 4.04Å; L82-P112 HydrophobicContact CD1-CG 4.17Å
83F97.1Very high95.2Very high126 Ų12670.1 Ų70.155%0.55334%0.344SS*.Hα-helixtrans-67.7-39179.8-75.5-68.5000112.4A79 V80 L86 L87A79-F83 WeakPolarHBondContact O-CD2 3.34Å; A79-F83 PolarHBondContact O-N 3.03Å; V80-F83 PolarHBondContact O-N 3.17Å; F83-L86 PolarHBondContact O-N 2.84Å; F83-L87 WeakPolarHBondContact O-CB 3.4Å; F83-L87 VanDerWaalsContact O-CG 3.29Å; F83-L87 WeakPolarHBondContact O-CG 3.35Å; F83-L87 PolarHBondContact O-N 3.35Å
84W98.1Very high95.5Very high100 Ų10067.5 Ų67.538%0.37933%0.326SS..Hα-helixtrans-60.7-49.1175.7-174.8-86.4000111.2P66 E67 P68 P69 V80 K81 L86 L87 S88P66-W84 HydrophobicContact CB-CZ2 4.13Å; P66-W84 HydrophobicContact CG-CZ2 4.22Å; P66-W84 PolarHBondContact O-NE1 3.5Å; E67-W84 PolarHBondContact O-NE1 2.85Å; P68-W84 VanDerWaalsContact CA-CD1 3.41Å; P68-W84 HydrophobicContact CB-CB 4.06Å; P68-W84 HydrophobicContact CB-CG 3.89Å; P69-W84 HydrophobicContact CG-CE3 4.22Å; P69-W84 HydrophobicContact CG-CZ3 4.4Å; V80-W84 WeakPolarHBondContact O-CB 3.21Å; V80-W84 PolarHBondContact O-N 3.13Å; K81-W84 PolarHBondContact O-N 2.91Å; W84-L86 VanDerWaalsContact C-N 3.3Å; W84-L86 PolarHBondContact O-N 2.89Å; W84-L87 PolarHBondContact O-N 3.33Å; W84-S88 VanDerWaalsContact O-CB 3.26Å; W84-S88 WeakPolarHBondContact O-CB 3.19Å; W84-S88 PolarHBondContact O-N 3.38Å; W84-S88 PolarHBondContact O-OG 3.2Å; W84-S88 VanDerWaalsContact O-OG 3.09Å
85Q97.7Very high96Very high17 Ų1765 Ų658%0.07932%0.317CS..Hα-helixtrans-60.4-39.8176.3-74.1-177.9-35.300112L17 Y45 K81 L82 S88 L89 P112L17-Q85 HydrophobicContact CD1-CB 4.35Å; L17-Q85 HydrophobicContact CD1-CG 4.32Å; L17-Q85 HydrophobicContact CD2-CB 4.15Å; L17-Q85 HydrophobicContact CD2-CG 4.4Å; Y45-Q85 WeakPolarHBondContact OH-CG 3.35Å; K81-Q85 HydrophobicContact CG-CG 4.34Å; K81-Q85 VanDerWaalsContact O-CB 3.29Å; K81-Q85 WeakPolarHBondContact O-CB 3.4Å; K81-Q85 WeakPolarHBondContact O-CG 3.27Å; K81-Q85 PolarHBondContact O-N 3.48Å; L82-Q85 PolarHBondContact O-N 3.45Å; Q85-S88 PolarHBondContact O-OG 2.86Å; Q85-L89 WeakPolarHBondContact O-CB 3.14Å; Q85-L89 PolarHBondContact O-N 3.33Å; Q85-P112 HydrophobicContact CB-CG 3.93Å
86L98.2Very high96.4Very high42 Ų4265.2 Ų65.222%0.2231%0.308CS..Hα-helixtrans-62.6-52.3177.6-177.2154.3000110.5L82 F83 W84 L90 P112 L115 V116L82-L86 WeakPolarHBondContact O-CB 3.43Å; L82-L86 PolarHBondContact O-N 3.19Å; F83-L86 PolarHBondContact O-N 2.84Å; W84-L86 VanDerWaalsContact C-N 3.3Å; W84-L86 PolarHBondContact O-N 2.89Å; L86-L90 WeakPolarHBondContact O-CB 3.48Å; L86-L90 PolarHBondContact O-N 2.99Å; L86-P112 VanDerWaalsContact CA-CG 3.48Å; L86-P112 HydrophobicContact CB-CB 3.84Å; L86-P112 HydrophobicContact CB-CG 3.71Å; L86-P112 HydrophobicContact CD1-CB 4.13Å; L86-P112 HydrophobicContact CG-CB 4.18Å; L86-L115 HydrophobicContact CD1-CD2 4.48Å; L86-V116 HydrophobicContact CG-CG2 4.22Å
87L98.2Very high96.7Very high110 Ų11061.5 Ų61.558%0.57629%0.289SS*.Hα-helixtrans-70.1-42-175.8-65.9175.2000111.8F83 W84 F91F83-L87 WeakPolarHBondContact O-CB 3.4Å; F83-L87 VanDerWaalsContact O-CG 3.29Å; F83-L87 WeakPolarHBondContact O-CG 3.35Å; F83-L87 PolarHBondContact O-N 3.35Å; W84-L87 PolarHBondContact O-N 3.33Å; L87-F91 WeakPolarHBondContact O-CB 3.34Å; L87-F91 PolarHBondContact O-N 2.85Å
88S98.1Very high96.8Very high14 Ų1461.9 Ų61.910%0.09830%0.295CS..Hα-helixtrans-67.8-43.5-179.873.40000111.9W84 Q85 F91 C92W84-S88 VanDerWaalsContact O-CB 3.26Å; W84-S88 WeakPolarHBondContact O-CB 3.19Å; W84-S88 PolarHBondContact O-N 3.38Å; W84-S88 PolarHBondContact O-OG 3.2Å; W84-S88 VanDerWaalsContact O-OG 3.09Å; Q85-S88 PolarHBondContact O-OG 2.86Å; S88-F91 PolarHBondContact O-N 3.46Å; S88-C92 WeakPolarHBondContact O-CB 3.47Å; S88-C92 PolarHBondContact O-N 3.04Å
89L98.5Very high97Very high0 Ų065.6 Ų65.60%030%0.304CS..Hα-helixtrans-67.6-45.8177.9-179.161000110.8V15 L17 I43 L65 Q85 F91 C92 L93 A113 V116V15-L89 HydrophobicContact CG1-CD1 3.83Å; V15-L89 HydrophobicContact CG1-CD2 4.39Å; L17-L89 HydrophobicContact CD1-CD2 4.45Å; I43-L89 HydrophobicContact CG2-CD1 3.99Å; L65-L89 HydrophobicContact CD1-CD1 4.16Å; Q85-L89 WeakPolarHBondContact O-CB 3.14Å; Q85-L89 PolarHBondContact O-N 3.33Å; L89-F91 VanDerWaalsContact C-N 3.27Å; L89-F91 PolarHBondContact O-N 2.95Å; L89-C92 PolarHBondContact O-N 3.3Å; L89-L93 HydrophobicContact CD1-CD1 3.82Å; L89-L93 HydrophobicContact CD1-CG 4.15Å; L89-L93 HydrophobicContact CG-CD1 3.9Å; L89-L93 VanDerWaalsContact O-CB 3.3Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 3.39Å; L89-A113 HydrophobicContact CD2-CB 4.08Å; L89-V116 HydrophobicContact CB-CG1 4.39Å; L89-V116 HydrophobicContact CD2-CB 4.01Å; L89-V116 HydrophobicContact CD2-CG1 4.11Å; L89-V116 HydrophobicContact CD2-CG2 4.41Å; L89-V116 HydrophobicContact CG-CB 4.32Å; L89-V116 HydrophobicContact CG-CG1 3.87Å
90L98.3Very high97.1Very high53 Ų5363.9 Ų63.928%0.27729%0.289SS..Hα-helixtrans-59-43.3175.5-179.265.2000110.5L86 L93 V94 V116 V120L86-L90 WeakPolarHBondContact O-CB 3.48Å; L86-L90 PolarHBondContact O-N 2.99Å; L90-L93 PolarHBondContact O-N 3.3Å; L90-V94 HydrophobicContact CD1-CG2 3.81Å; L90-V94 HydrophobicContact CG-CG2 4.34Å; L90-V94 WeakPolarHBondContact O-CB 3.48Å; L90-V94 VanDerWaalsContact O-CG2 3.28Å; L90-V94 WeakPolarHBondContact O-CG2 3.45Å; L90-V94 PolarHBondContact O-N 2.69Å; L90-V116 HydrophobicContact CB-CG1 3.95Å; L90-V116 HydrophobicContact CD1-CG1 4.09Å; L90-V120 HydrophobicContact CD1-CG2 3.87Å
91F98.3Very high97.2Very high121 Ų12165.1 Ų65.153%0.53129%0.294SS..Hα-helixtrans-62.9-47.9179.4178.4-85.7000112.6L87 S88 L89 V94 W95L87-F91 WeakPolarHBondContact O-CB 3.34Å; L87-F91 PolarHBondContact O-N 2.85Å; S88-F91 PolarHBondContact O-N 3.46Å; L89-F91 VanDerWaalsContact C-N 3.27Å; L89-F91 PolarHBondContact O-N 2.95Å; F91-V94 PolarHBondContact O-N 2.91Å; F91-W95 HydrophobicContact CB-CE3 3.91Å; F91-W95 HydrophobicContact CB-CZ3 3.97Å; F91-W95 HydrophobicContact CD2-CD2 4.12Å; F91-W95 AromaticContact CD2-CE3 3.21Å; F91-W95 HydrophobicContact CD2-CE3 3.21Å; F91-W95 AromaticContact CD2-CZ3 3.63Å; F91-W95 HydrophobicContact CD2-CZ3 3.63Å; F91-W95 HydrophobicContact CE2-CB 4.49Å; F91-W95 HydrophobicContact CE2-CD2 4.32Å; F91-W95 AromaticContact CE2-CE3 3.83Å; F91-W95 HydrophobicContact CE2-CE3 3.83Å; F91-W95 AromaticContact CG-CE3 3.7Å; F91-W95 HydrophobicContact CG-CE3 3.7Å; F91-W95 HydrophobicContact CG-CZ3 4.15Å; F91-W95 PolarHBondContact O-N 3.38Å
92C98.4Very high97.2Very high5 Ų561.3 Ų61.33%0.03428%0.278CS..Iπ-helixtrans-58.6-51.9177.7-169.10000110.9L65 S88 L89 V94 R96 V97L65-C92 HydrophobicContact CD2-CB 3.65Å; S88-C92 WeakPolarHBondContact O-CB 3.47Å; S88-C92 PolarHBondContact O-N 3.04Å; L89-C92 PolarHBondContact O-N 3.3Å; C92-V94 PolarHBondContact O-N 3.01Å; C92-R96 WeakPolarHBondContact O-CA 3.17Å; C92-R96 WeakPolarHBondContact O-CB 3.09Å; C92-R96 PolarHBondContact O-N 3.34Å; C92-V97 PolarHBondContact O-N 3.36Å
93L98.2Very high97.4Very high4 Ų458.5 Ų58.52%0.02126%0.263CS..Iπ-helixtrans-66.5-32.1-176.9-85.1172.2000113.8C13 V15 I43 L89 L90 V116 V120 K124C13-L93 VanDerWaalsContact SG-CD2 3.59Å; V15-L93 HydrophobicContact CG2-CD2 4.23Å; I43-L93 HydrophobicContact CD1-CD2 3.41Å; I43-L93 VanDerWaalsContact CD1-CD2 3.41Å; I43-L93 HydrophobicContact CD1-CG 3.68Å; L89-L93 HydrophobicContact CD1-CD1 3.82Å; L89-L93 HydrophobicContact CD1-CG 4.15Å; L89-L93 HydrophobicContact CG-CD1 3.9Å; L89-L93 VanDerWaalsContact O-CB 3.3Å; L89-L93 WeakPolarHBondContact O-CB 3.44Å; L89-L93 PolarHBondContact O-N 3.39Å; L90-L93 PolarHBondContact O-N 3.3Å; L93-V116 HydrophobicContact CD1-CG1 3.8Å; L93-V120 HydrophobicContact CB-CB 4.41Å; L93-V120 HydrophobicContact CB-CG1 4.03Å; L93-V120 HydrophobicContact CB-CG2 3.87Å; L93-V120 HydrophobicContact CD1-CG2 4.27Å; L93-K124 VanDerWaalsContact O-CE 3.3Å; L93-K124 WeakPolarHBondContact O-CE 3.44Å; L93-K124 PolarHBondContact O-NZ 3.3Å
94V97.8Very high97.4Very high30 Ų3052.5 Ų52.518%0.18224%0.237CC..Iπ-helixtrans-83.5-50.8179.6175.60000111.4L90 F91 C92 V120 L123 K124L90-V94 HydrophobicContact CD1-CG2 3.81Å; L90-V94 HydrophobicContact CG-CG2 4.34Å; L90-V94 WeakPolarHBondContact O-CB 3.48Å; L90-V94 VanDerWaalsContact O-CG2 3.28Å; L90-V94 WeakPolarHBondContact O-CG2 3.45Å; L90-V94 PolarHBondContact O-N 2.69Å; F91-V94 PolarHBondContact O-N 2.91Å; C92-V94 PolarHBondContact O-N 3.01Å; V94-V120 HydrophobicContact CG2-CG2 3.98Å; V94-L123 HydrophobicContact CG2-CD2 4.23Å; V94-K124 WeakPolarHBondContact O-CE 3.43Å; V94-K124 PolarHBondContact O-NZ 3.3Å
95W96.7Very high97.5Very high172 Ų17247.8 Ų47.865%0.65222%0.219SC*.Iπ-helixtrans-107.6-27-165.9-63.5-75.8000115.4F91F91-W95 HydrophobicContact CB-CE3 3.91Å; F91-W95 HydrophobicContact CB-CZ3 3.97Å; F91-W95 HydrophobicContact CD2-CD2 4.12Å; F91-W95 AromaticContact CD2-CE3 3.21Å; F91-W95 HydrophobicContact CD2-CE3 3.21Å; F91-W95 AromaticContact CD2-CZ3 3.63Å; F91-W95 HydrophobicContact CD2-CZ3 3.63Å; F91-W95 HydrophobicContact CE2-CB 4.49Å; F91-W95 HydrophobicContact CE2-CD2 4.32Å; F91-W95 AromaticContact CE2-CE3 3.83Å; F91-W95 HydrophobicContact CE2-CE3 3.83Å; F91-W95 AromaticContact CG-CE3 3.7Å; F91-W95 HydrophobicContact CG-CE3 3.7Å; F91-W95 HydrophobicContact CG-CZ3 4.15Å; F91-W95 PolarHBondContact O-N 3.38Å
96R96.8Very high97.5Very high142 Ų14248.2 Ų48.254%0.53622%0.221SC..Iπ-helixtrans-94-42.7-176.2-172.6178.8174.6142.91.2112.3H63 C92H63-R96 PolarHBondContact ND1-NE 2.79Å; C92-R96 WeakPolarHBondContact O-CA 3.17Å; C92-R96 WeakPolarHBondContact O-CB 3.09Å; C92-R96 PolarHBondContact O-N 3.34Å
97V96.3Very high97.5Very high6 Ų646.2 Ų46.24%0.03621%0.21CC..SBendtrans-85.8128.3-176.8-178.90000110.3E41 I43 H63 C92 K124E41-V97 HydrophobicContact CB-CG1 3.61Å; E41-V97 HydrophobicContact CG-CG1 3.75Å; I43-V97 HydrophobicContact CD1-CG2 3.69Å; I43-V97 HydrophobicContact CG1-CG2 4.02Å; H63-V97 HydrophobicContact CB-CG2 4.29Å; C92-V97 PolarHBondContact O-N 3.36Å; V97-K124 PolarHBondContact O-NZ 3.16Å
98P95.1Very high97.3Very high53 Ų5341.9 Ų41.934%0.34419%0.189SC..PPolyproline II helixtrans-56.7159.4173.9-27.138.2000112.3S100P98-S100 PolarHBondContact O-N 3.44Å; P98-S100 VanDerWaalsContact O-N 3.07Å; P98-S100 PolarHBondContact O-OG 3.01Å
99R94.5Very high97.2Very high159 Ų15943.1 Ų43.160%0.620%0.196SC*.PPolyproline II helixtrans-56.8121.5175.3178.4-176.1170.2131.85.8109.2R11 K124 G125R11-R99 WeakPolarHBondContact CD-O 3.41Å; R99-K124 PolarHBondContact NE-O 3.47Å; R99-K124 PolarHBondContact NH1-O 3.03Å; R99-K124 VanDerWaalsContact NH1-O 3.14Å; R99-K124 PolarHBondContact NH2-O 2.87Å; R99-G125 PolarHBondContact NH2-O 3.17Å
100S96.2Very high97Very high5 Ų543.1 Ų43.14%0.03520%0.197CC..  trans-105.3147.4175.8-59.40000109.8R11 P98 S126R11-S100 CarbonylContact O-C 3.59Å; P98-S100 PolarHBondContact O-N 3.44Å; P98-S100 VanDerWaalsContact O-N 3.07Å; P98-S100 PolarHBondContact O-OG 3.01Å; S100-S126 VanDerWaalsContact O-CB 3.3Å; S100-S126 WeakPolarHBondContact O-CB 3.45Å; S100-S126 PolarHBondContact O-OG 3.19Å
101D96.3Very high96.8Very high66 Ų6643.2 Ų43.235%0.35320%0.197SC..SBendtrans-75.1-34.8177.8-56.2-68.1000111.2A10 R11 S126 R127 L436A10-D101 WeakPolarHBondContact CA-OD2 3.48Å; R11-D101 PolarHBondContact N-OD2 2.98Å; R11-D101 PolarHBondContact O-N 2.8Å; D101-S126 WeakPolarHBondContact O-CA 3.33Å; D101-R127 PolarHBondContact O-N 3.04Å; D101-L436 HydrophobicContact CB-CD2 3.45Å; D101-L436 VanDerWaalsContact CB-CD2 3.45Å
102V97.6Very high96.7Very high0 Ų037.6 Ų37.60%017%0.173CC..EExtended strand (participates in β ladder)trans-130.3141.9177.2179.40000110R11 V12 C13 R127 I129 F432 T435 L436R11-V102 PolarHBondContact O-N 2.8Å; V12-V102 CarbonylContact C-O 3.52Å; V12-V102 WeakPolarHBondContact CA-O 3.19Å; V12-V102 HydrophobicContact CG1-CB 4.38Å; V12-V102 HydrophobicContact CG1-CG1 4.48Å; V12-V102 HydrophobicContact CG2-CB 4.17Å; C13-V102 PolarHBondContact N-O 2.96Å; V102-R127 CarbonylContact C-O 3.49Å; V102-R127 VanDerWaalsContact CA-O 3.3Å; V102-R127 WeakPolarHBondContact CA-O 3.48Å; V102-R127 HydrophobicContact CG2-CB 4.21Å; V102-I129 HydrophobicContact CG1-CB 4.42Å; V102-I129 HydrophobicContact CG1-CD1 3.74Å; V102-I129 HydrophobicContact CG1-CG1 3.78Å; V102-F432 HydrophobicContact CG1-CD1 4.24Å; V102-F432 HydrophobicContact CG1-CE1 3.87Å; V102-T435 HydrophobicContact CG2-CG2 4.47Å; V102-L436 HydrophobicContact CG2-CD2 3.53Å; V102-L436 HydrophobicContact CG2-CG 3.87Å
103I98.4Very high96.7Very high4 Ų437.4 Ų37.42%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-106.7117.8163.9-57.9178.8000107C13 V15 C117 V120 A121 R127 L128 I129C13-I103 HydrophobicContact CB-CG1 4.29Å; C13-I103 CarbonylContact O-C 3.57Å; C13-I103 VanDerWaalsContact O-CA 3.31Å; C13-I103 WeakPolarHBondContact O-CA 3.48Å; V15-I103 HydrophobicContact CG2-CG2 3.86Å; I103-C117 HydrophobicContact CG2-CB 4.24Å; I103-V120 HydrophobicContact CD1-CB 4.39Å; I103-V120 HydrophobicContact CD1-CG1 3.98Å; I103-A121 HydrophobicContact CD1-CB 4.17Å; I103-R127 PolarHBondContact N-O 3.05Å; I103-L128 HydrophobicContact CB-CD1 4.13Å; I103-L128 HydrophobicContact CG2-CD1 4.09Å; I103-I129 PolarHBondContact O-N 2.97Å
104L98.7Very high96.7Very high0 Ų037.2 Ų37.20%017%0.17CC..EExtended strand (participates in β ladder)trans-98.3113.6169.7175.169000108.4V12 C13 V14 V15 M26 H29 I129 D131 F432V12-L104 HydrophobicContact CG1-CB 4.29Å; C13-L104 PolarHBondContact O-N 3.19Å; V14-L104 CarbonylContact C-O 3.55Å; V14-L104 WeakPolarHBondContact CA-O 3.4Å; V14-L104 HydrophobicContact CG1-CD2 4.26Å; V14-L104 HydrophobicContact CG2-CB 4.36Å; V14-L104 HydrophobicContact CG2-CD2 4.27Å; V15-L104 PolarHBondContact N-O 2.9Å; M26-L104 HydrophobicContact CE-CD2 3.62Å; M26-L104 HydrophobicContact CE-CG 3.84Å; H29-L104 HydrophobicContact CB-CD2 3.8Å; L104-I129 CarbonylContact C-O 3.26Å; L104-I129 WeakPolarHBondContact CA-O 3.36Å; L104-I129 HydrophobicContact CD1-CB 3.94Å; L104-I129 HydrophobicContact CD1-CG2 3.64Å; L104-D131 HydrophobicContact CD1-CB 4.19Å; L104-F432 HydrophobicContact CB-CZ 4.17Å; L104-F432 HydrophobicContact CD1-CZ 4.16Å; L104-F432 HydrophobicContact CD2-CZ 3.97Å; L104-F432 HydrophobicContact CG-CZ 4.3Å
105L98.7Very high96.7Very high0 Ų039.3 Ų39.30%018%0.18CC..EExtended strand (participates in β ladder)trans-106.2128.2-179.9170.563.7000111.2V15 A113 L114 C117 L128 I129 I130 D131V15-L105 HydrophobicContact CB-CD1 4.01Å; V15-L105 HydrophobicContact CG1-CD1 3.88Å; L105-A113 HydrophobicContact CD1-CB 3.76Å; L105-A113 HydrophobicContact CD2-CB 4.39Å; L105-L114 HydrophobicContact CD2-CD2 3.56Å; L105-L114 HydrophobicContact CD2-CG 4.04Å; L105-C117 HydrophobicContact CD2-CB 4.01Å; L105-L128 HydrophobicContact CB-CD1 4.41Å; L105-I129 PolarHBondContact N-O 2.84Å; L105-I130 WeakPolarHBondContact O-CA 3.35Å; L105-D131 PolarHBondContact O-N 2.89Å
106Q98.1Very high96.8Very high26 Ų2631.3 Ų31.312%0.12115%0.151CC..EExtended strand (participates in β ladder)trans-73.7126.8164.8-171.1-169.1-66.900110.4V15 M26 P108V15-Q106 PolarHBondContact O-N 2.92Å; M26-Q106 HydrophobicContact CE-CB 4Å; M26-Q106 HydrophobicContact CG-CB 3.88Å; M26-Q106 HydrophobicContact CG-CG 3.95Å; M26-Q106 HydrophobicContact SD-CB 3.79Å; M26-Q106 HydrophobicContact SD-CG 4.01Å; Q106-P108 PolarHBondContact NE2-O 2.77Å
107N97.7Very high96.9Very high0 Ų024.6 Ų24.60%013%0.125CC..EExtended strand (participates in β ladder)trans-117.3126.3166.1-171.871.8000109.9A110 I130 D131 W132 H133 N134 E158N107-A110 WeakPolarHBondContact OD1-CA 3.33Å; N107-A110 WeakPolarHBondContact OD1-CB 3.4Å; N107-A110 PolarHBondContact OD1-N 2.85Å; N107-A110 VanDerWaalsContact OD1-N 3.13Å; N107-I130 HydrophobicContact CB-CG2 3.83Å; N107-D131 PolarHBondContact N-O 2.83Å; N107-W132 HydrophobicContact CB-CE3 4.35Å; N107-W132 WeakPolarHBondContact ND2-CZ3 3.26Å; N107-H133 WeakPolarHBondContact O-CB 3.35Å; N107-H133 PolarHBondContact O-N 3.43Å; N107-N134 PolarHBondContact ND2-O 3.37Å; N107-E158 PolarHBondContact ND2-OE1 2.79Å; N107-E158 PolarHBondContact OD1-OE1 2.84Å
108P95.5Very high97Very high20 Ų2025.6 Ų25.613%0.1313%0.131CC..SBendcis-86.8171.49.834.9-36.5000114.7Q106 N134 M139Q106-P108 PolarHBondContact NE2-O 2.77Å; P108-N134 HydrophobicContact CG-CB 4.16Å; P108-M139 HydrophobicContact CB-SD 3.86Å; P108-M139 HydrophobicContact CG-SD 3.49Å; P108-M139 WeakPolarHBondContact CG-SD 3.37Å
109P94.5Very high97.1Very high39 Ų3925.5 Ų25.525%0.25314%0.135SC..  cis-87.1135-1.834.5-34.8000113.8L17 A113L17-P109 HydrophobicContact CB-CG 3.94Å; L17-P109 HydrophobicContact CD2-CG 4.01Å; L17-P109 HydrophobicContact CG-CG 4.23Å; P109-A113 VanDerWaalsContact O-CB 3.29Å; P109-A113 WeakPolarHBondContact O-CB 3.31Å
110A95.3Very high97.3Very high1 Ų118 Ų181%0.00811%0.106CC..  trans-64.7-41.1174.400000112N107 P112 A113 L114 T136 Y157 E158N107-A110 WeakPolarHBondContact OD1-CA 3.33Å; N107-A110 WeakPolarHBondContact OD1-CB 3.4Å; N107-A110 PolarHBondContact OD1-N 2.85Å; N107-A110 VanDerWaalsContact OD1-N 3.13Å; A110-P112 CarbonylContact O-C 3.57Å; A110-P112 VanDerWaalsContact O-C 3.27Å; A110-A113 PolarHBondContact O-N 2.91Å; A110-L114 HydrophobicContact CB-CD1 3.5Å; A110-L114 VanDerWaalsContact CB-CD1 3.5Å; A110-L114 HydrophobicContact CB-CG 4.17Å; A110-L114 WeakPolarHBondContact O-CB 3.3Å; A110-L114 PolarHBondContact O-N 3.14Å; A110-T136 HydrophobicContact CB-CG2 4.21Å; A110-T136 WeakPolarHBondContact CB-OG1 3.3Å; A110-T136 PolarHBondContact N-OG1 3.19Å; A110-Y157 HydrophobicContact CB-CE1 4.22Å; A110-Y157 PolarHBondContact O-OH 3Å; A110-E158 HydrophobicContact CB-CB 4.07Å; A110-E158 HydrophobicContact CB-CG 3.85Å
111L94.8Very high97.4Very high55 Ų5518.1 Ų18.129%0.28811%0.108SC..THydrogen-bonded Turntrans-93.9123-177.7-72.4166.3000110.3L82 A154 Y157L82-L111 HydrophobicContact CD1-CB 4.06Å; L111-A154 HydrophobicContact CD1-CB 4.25Å; L111-Y157 HydrophobicContact CD2-CD1 3.57Å; L111-Y157 HydrophobicContact CD2-CD2 4.4Å; L111-Y157 HydrophobicContact CD2-CE1 3.32Å; L111-Y157 HydrophobicContact CD2-CE2 4.18Å; L111-Y157 HydrophobicContact CD2-CG 4.11Å; L111-Y157 HydrophobicContact CG-CD1 3.98Å; L111-Y157 HydrophobicContact CG-CE1 3.78Å
112P96Very high97.4Very high3 Ų318.9 Ų18.92%0.01912%0.123CC..THydrogen-bonded Turncis-91.76.8-10.636.1-30.4000113.5L17 L82 Q85 L86 A110 L114 L115 V116L17-P112 HydrophobicContact CD2-CG 4.45Å; L82-P112 HydrophobicContact CD1-CB 4.04Å; L82-P112 HydrophobicContact CD1-CG 4.17Å; Q85-P112 HydrophobicContact CB-CG 3.93Å; L86-P112 VanDerWaalsContact CA-CG 3.48Å; L86-P112 HydrophobicContact CB-CB 3.84Å; L86-P112 HydrophobicContact CB-CG 3.71Å; L86-P112 HydrophobicContact CD1-CB 4.13Å; L86-P112 HydrophobicContact CG-CB 4.18Å; A110-P112 CarbonylContact O-C 3.57Å; A110-P112 VanDerWaalsContact O-C 3.27Å; P112-L114 VanDerWaalsContact C-N 3.33Å; P112-L114 PolarHBondContact O-N 2.8Å; P112-L115 PolarHBondContact O-N 3.45Å; P112-V116 HydrophobicContact CB-CG2 4.4Å; P112-V116 WeakPolarHBondContact O-CG2 3.29Å; P112-V116 PolarHBondContact O-N 3.46Å; P112-V116 VanDerWaalsContact O-N 3.1Å
113A98Very high97.4Very high0 Ų024.8 Ų24.80%015%0.154CC..Hα-helixtrans-57.6-39.9-166.200000113.9L17 L89 L105 P109 A110 V116 C117L17-A113 HydrophobicContact CB-CB 4.23Å; L17-A113 HydrophobicContact CD2-CB 4.06Å; L89-A113 HydrophobicContact CD2-CB 4.08Å; L105-A113 HydrophobicContact CD1-CB 3.76Å; L105-A113 HydrophobicContact CD2-CB 4.39Å; P109-A113 VanDerWaalsContact O-CB 3.29Å; P109-A113 WeakPolarHBondContact O-CB 3.31Å; A110-A113 PolarHBondContact O-N 2.91Å; A113-V116 PolarHBondContact O-N 3.17Å; A113-C117 WeakPolarHBondContact O-CB 3.24Å; A113-C117 PolarHBondContact O-N 2.95Å; A113-C117 PolarHBondContact O-SG 2.93Å
114L98.2Very high97.3Very high0 Ų026.4 Ų26.40%016%0.161CC..Hα-helixtrans-62-51.2177.6-80173.8000111.7L105 A110 P112 V116 C117 V118 I130 Y157 E158 M161L105-L114 HydrophobicContact CD2-CD2 3.56Å; L105-L114 HydrophobicContact CD2-CG 4.04Å; A110-L114 HydrophobicContact CB-CD1 3.5Å; A110-L114 VanDerWaalsContact CB-CD1 3.5Å; A110-L114 HydrophobicContact CB-CG 4.17Å; A110-L114 WeakPolarHBondContact O-CB 3.3Å; A110-L114 PolarHBondContact O-N 3.14Å; P112-L114 VanDerWaalsContact C-N 3.33Å; P112-L114 PolarHBondContact O-N 2.8Å; L114-V116 VanDerWaalsContact C-N 3.31Å; L114-V116 PolarHBondContact O-N 3.08Å; L114-C117 PolarHBondContact O-N 3.3Å; L114-V118 WeakPolarHBondContact O-CB 3.41Å; L114-V118 VanDerWaalsContact O-CG2 3.23Å; L114-V118 WeakPolarHBondContact O-CG2 3.41Å; L114-V118 PolarHBondContact O-N 3.01Å; L114-I130 HydrophobicContact CD2-CD1 3.39Å; L114-I130 HydrophobicContact CD2-CG1 3.98Å; L114-I130 HydrophobicContact CD2-CG2 4.4Å; L114-Y157 HydrophobicContact CB-CE1 4.41Å; L114-E158 HydrophobicContact CD1-CG 4.2Å; L114-M161 HydrophobicContact CB-CB 3.82Å; L114-M161 HydrophobicContact CB-CG 4.37Å; L114-M161 HydrophobicContact CD1-CB 4.26Å
115L98.2Very high97.1Very high74 Ų7428.8 Ų28.839%0.38719%0.186SC..Hα-helixtrans-57.6-46.4178.7171.166.4000111.1L86 P112 A119 Y157 M161L86-L115 HydrophobicContact CD1-CD2 4.48Å; P112-L115 PolarHBondContact O-N 3.45Å; L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 2.79Å; L115-Y157 HydrophobicContact CB-CE2 4.04Å; L115-Y157 WeakPolarHBondContact CB-OH 3.47Å; L115-Y157 PolarHBondContact N-OH 2.98Å; L115-M161 HydrophobicContact CD1-SD 4.18Å
116V98.5Very high97Very high5 Ų529.3 Ų29.33%0.0319%0.19CC..Hα-helixtrans-64.7-46.8-178.7179.60000110.6L86 L89 L90 L93 P112 A113 L114 V118 A119 V120L86-V116 HydrophobicContact CG-CG2 4.22Å; L89-V116 HydrophobicContact CB-CG1 4.39Å; L89-V116 HydrophobicContact CD2-CB 4.01Å; L89-V116 HydrophobicContact CD2-CG1 4.11Å; L89-V116 HydrophobicContact CD2-CG2 4.41Å; L89-V116 HydrophobicContact CG-CB 4.32Å; L89-V116 HydrophobicContact CG-CG1 3.87Å; L90-V116 HydrophobicContact CB-CG1 3.95Å; L90-V116 HydrophobicContact CD1-CG1 4.09Å; L93-V116 HydrophobicContact CD1-CG1 3.8Å; P112-V116 HydrophobicContact CB-CG2 4.4Å; P112-V116 WeakPolarHBondContact O-CG2 3.29Å; P112-V116 PolarHBondContact O-N 3.46Å; P112-V116 VanDerWaalsContact O-N 3.1Å; A113-V116 PolarHBondContact O-N 3.17Å; L114-V116 VanDerWaalsContact C-N 3.31Å; L114-V116 PolarHBondContact O-N 3.08Å; V116-V118 PolarHBondContact O-N 3.48Å; V116-A119 PolarHBondContact O-N 2.85Å; V116-V120 HydrophobicContact CG1-CG2 4.2Å; V116-V120 WeakPolarHBondContact O-CB 3.27Å; V116-V120 VanDerWaalsContact O-CG2 3.26Å; V116-V120 WeakPolarHBondContact O-CG2 3.35Å; V116-V120 PolarHBondContact O-N 3.28Å
117C98.6Very high97Very high0 Ų033.2 Ų33.20%020%0.203CC..Hα-helixtrans-66.5-38.8-179.3-65.60000112.2I103 L105 A113 L114 A121 L128I103-C117 HydrophobicContact CG2-CB 4.24Å; L105-C117 HydrophobicContact CD2-CB 4.01Å; A113-C117 WeakPolarHBondContact O-CB 3.24Å; A113-C117 PolarHBondContact O-N 2.95Å; A113-C117 PolarHBondContact O-SG 2.93Å; L114-C117 PolarHBondContact O-N 3.3Å; C117-A121 WeakPolarHBondContact O-CB 3.44Å; C117-A121 PolarHBondContact O-N 3.39Å; C117-L128 HydrophobicContact CB-CD1 3.89Å
118V98.4Very high97Very high28 Ų2833.3 Ų33.317%0.1720%0.204CC..Hα-helixtrans-61.4-48.8173.8169.10000110.9L114 V116 A121 A122 L128 C164L114-V118 WeakPolarHBondContact O-CB 3.41Å; L114-V118 VanDerWaalsContact O-CG2 3.23Å; L114-V118 WeakPolarHBondContact O-CG2 3.41Å; L114-V118 PolarHBondContact O-N 3.01Å; V116-V118 PolarHBondContact O-N 3.48Å; V118-A121 PolarHBondContact O-N 3.24Å; V118-A122 PolarHBondContact O-N 2.83Å; V118-A122 VanDerWaalsContact O-N 3.08Å; V118-L128 HydrophobicContact CB-CD2 4.46Å; V118-L128 HydrophobicContact CG2-CD2 3.55Å; V118-C164 HydrophobicContact CG1-CB 3.81Å; V118-C164 HydrophobicContact CG2-CB 3.8Å
119A98.2Very high97.2Very high50 Ų5032.3 Ų32.341%0.41320%0.198SC..Hα-helixtrans-64-43.5-179.600000112.2L115 V116 L123L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 2.79Å; V116-A119 PolarHBondContact O-N 2.85Å; A119-L123 VanDerWaalsContact O-CB 3.32Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 PolarHBondContact O-N 3.25Å
120V98.2Very high97.4Very high1 Ų130.5 Ų30.51%0.00619%0.185CC..Hα-helixtrans-69.5-41.2178.8173.20000111.3L90 L93 V94 I103 V116 A122 L123 K124L90-V120 HydrophobicContact CD1-CG2 3.87Å; L93-V120 HydrophobicContact CB-CB 4.41Å; L93-V120 HydrophobicContact CB-CG1 4.03Å; L93-V120 HydrophobicContact CB-CG2 3.87Å; L93-V120 HydrophobicContact CD1-CG2 4.27Å; V94-V120 HydrophobicContact CG2-CG2 3.98Å; I103-V120 HydrophobicContact CD1-CB 4.39Å; I103-V120 HydrophobicContact CD1-CG1 3.98Å; V116-V120 HydrophobicContact CG1-CG2 4.2Å; V116-V120 WeakPolarHBondContact O-CB 3.27Å; V116-V120 VanDerWaalsContact O-CG2 3.26Å; V116-V120 WeakPolarHBondContact O-CG2 3.35Å; V116-V120 PolarHBondContact O-N 3.28Å; V120-A122 VanDerWaalsContact C-N 3.3Å; V120-A122 PolarHBondContact O-N 2.82Å; V120-L123 PolarHBondContact O-N 2.81Å; V120-K124 HydrophobicContact CG1-CD 3.99Å; V120-K124 HydrophobicContact CG1-CG 4.22Å; V120-K124 WeakPolarHBondContact O-CB 3.49Å; V120-K124 PolarHBondContact O-N 2.82Å
121A97.8Very high97.5Very high8 Ų830.4 Ų30.47%0.06619%0.185CC..Hα-helixtrans-57.2-47.1176.500000110.7I103 C117 V118 G125 S126 L128I103-A121 HydrophobicContact CD1-CB 4.17Å; C117-A121 WeakPolarHBondContact O-CB 3.44Å; C117-A121 PolarHBondContact O-N 3.39Å; V118-A121 PolarHBondContact O-N 3.24Å; A121-G125 CarbonylContact O-C 3.5Å; A121-G125 WeakPolarHBondContact O-CA 3.33Å; A121-G125 PolarHBondContact O-N 3.49Å; A121-S126 WeakPolarHBondContact CB-O 3.42Å; A121-S126 PolarHBondContact O-N 2.89Å; A121-L128 HydrophobicContact CB-CB 4.15Å
122A97.2Very high97.7Very high82 Ų8227.8 Ų27.868%0.67817%0.171SC*.Hα-helixtrans-62-46.1174.600000112.5V118 V120V118-A122 PolarHBondContact O-N 2.83Å; V118-A122 VanDerWaalsContact O-N 3.08Å; V120-A122 VanDerWaalsContact C-N 3.3Å; V120-A122 PolarHBondContact O-N 2.82Å
123L97.1Very high97.6Very high124 Ų12429 Ų2965%0.64918%0.176SC*.Hα-helixtrans-64.1-42.5-178.7178.865000112.9V94 A119 V120V94-L123 HydrophobicContact CG2-CD2 4.23Å; A119-L123 VanDerWaalsContact O-CB 3.32Å; A119-L123 WeakPolarHBondContact O-CB 3.47Å; A119-L123 PolarHBondContact O-N 3.25Å; V120-L123 PolarHBondContact O-N 2.81Å
124K96Very high97.5Very high38 Ų3829.6 Ų29.617%0.16518%0.18CC..Hα-helixtrans-91.5-5.2-176.7-70.6-168.1165.8-175.30113.2L93 V94 V97 R99 V120 S126L93-K124 VanDerWaalsContact O-CE 3.3Å; L93-K124 WeakPolarHBondContact O-CE 3.44Å; L93-K124 PolarHBondContact O-NZ 3.3Å; V94-K124 WeakPolarHBondContact O-CE 3.43Å; V94-K124 PolarHBondContact O-NZ 3.3Å; V97-K124 PolarHBondContact O-NZ 3.16Å; R99-K124 PolarHBondContact NE-O 3.47Å; R99-K124 PolarHBondContact NH1-O 3.03Å; R99-K124 VanDerWaalsContact NH1-O 3.14Å; R99-K124 PolarHBondContact NH2-O 2.87Å; V120-K124 HydrophobicContact CG1-CD 3.99Å; V120-K124 HydrophobicContact CG1-CG 4.22Å; V120-K124 WeakPolarHBondContact O-CB 3.49Å; V120-K124 PolarHBondContact O-N 2.82Å; K124-S126 PolarHBondContact O-N 3.23Å
125G95.3Very high97.3Very high51 Ų5129.7 Ų29.753%0.52618%0.18SC..THydrogen-bonded Turntrans6234.7-17300000112.3R99 A121R99-G125 PolarHBondContact NH2-O 3.17Å; A121-G125 CarbonylContact O-C 3.5Å; A121-G125 WeakPolarHBondContact O-CA 3.33Å; A121-G125 PolarHBondContact O-N 3.49Å
126S96.7Very high97.1Very high10 Ų1026.8 Ų26.87%0.0717%0.166CC..  trans-88.9151.1173.2-51.50000109.4S100 D101 A121 K124S100-S126 VanDerWaalsContact O-CB 3.3Å; S100-S126 WeakPolarHBondContact O-CB 3.45Å; S100-S126 PolarHBondContact O-OG 3.19Å; D101-S126 WeakPolarHBondContact O-CA 3.33Å; A121-S126 WeakPolarHBondContact CB-O 3.42Å; A121-S126 PolarHBondContact O-N 2.89Å; K124-S126 PolarHBondContact O-N 3.23Å
127R97.4Very high96.9Very high108 Ų10826.7 Ų26.741%0.40817%0.165SC..EExtended strand (participates in β ladder)trans-80.8147.1168.6-61.7-68.5-177.7-175.2-3.3110.4D101 V102 I103 D166 T435D101-R127 PolarHBondContact O-N 3.04Å; V102-R127 CarbonylContact C-O 3.49Å; V102-R127 VanDerWaalsContact CA-O 3.3Å; V102-R127 WeakPolarHBondContact CA-O 3.48Å; V102-R127 HydrophobicContact CG2-CB 4.21Å; I103-R127 PolarHBondContact N-O 3.05Å; R127-D166 VanDerWaalsContact CA-OD2 3.24Å; R127-D166 WeakPolarHBondContact CA-OD2 3.18Å; R127-D166 HydrophobicContact CB-CB 4.43Å; R127-D166 VanDerWaalsContact CD-CG 3.42Å; R127-D166 VanDerWaalsContact CD-OD1 3.29Å; R127-D166 WeakPolarHBondContact CD-OD1 3.46Å; R127-D166 WeakPolarHBondContact CD-OD2 3.5Å; R127-D166 IonicContact CZ-OD1 3.88Å; R127-D166 IonicContact NE-OD1 3.59Å; R127-D166 IonicContact NH1-OD1 2.69Å; R127-D166 PolarHBondContact NH1-OD1 3.33Å; R127-T435 HydrophobicContact CB-CG2 3.48Å; R127-T435 VanDerWaalsContact CB-CG2 3.48Å; R127-T435 HydrophobicContact CG-CG2 3.85Å
128L98.2Very high96.5Very high2 Ų227.9 Ų27.91%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-110.3124.5177.9179.863.2000110.8I103 L105 C117 V118 A121 I130 A165 D166 A167I103-L128 HydrophobicContact CB-CD1 4.13Å; I103-L128 HydrophobicContact CG2-CD1 4.09Å; L105-L128 HydrophobicContact CB-CD1 4.41Å; C117-L128 HydrophobicContact CB-CD1 3.89Å; V118-L128 HydrophobicContact CB-CD2 4.46Å; V118-L128 HydrophobicContact CG2-CD2 3.55Å; A121-L128 HydrophobicContact CB-CB 4.15Å; L128-I130 HydrophobicContact CD2-CD1 4.48Å; L128-I130 HydrophobicContact CD2-CG1 4.4Å; L128-I130 HydrophobicContact CG-CG1 4.25Å; L128-A165 HydrophobicContact CD2-CB 4.26Å; L128-A165 HydrophobicContact CG-CB 4.17Å; L128-D166 PolarHBondContact N-OD2 3.24Å; L128-D166 PolarHBondContact O-N 3.16Å; L128-A167 PolarHBondContact O-N 3.01Å
129I98.5Very high96Very high0 Ų030.7 Ų30.70%019%0.186CC..EExtended strand (participates in β ladder)trans-113.5129.4167.4-56-178.1000107.9V102 I103 L104 L105 A167 L169 V431 F432 T435V102-I129 HydrophobicContact CG1-CB 4.42Å; V102-I129 HydrophobicContact CG1-CD1 3.74Å; V102-I129 HydrophobicContact CG1-CG1 3.78Å; I103-I129 PolarHBondContact O-N 2.97Å; L104-I129 CarbonylContact C-O 3.26Å; L104-I129 WeakPolarHBondContact CA-O 3.36Å; L104-I129 HydrophobicContact CD1-CB 3.94Å; L104-I129 HydrophobicContact CD1-CG2 3.64Å; L105-I129 PolarHBondContact N-O 2.84Å; I129-A167 WeakPolarHBondContact CA-O 3.49Å; I129-A167 HydrophobicContact CG1-CB 4.3Å; I129-L169 HydrophobicContact CG2-CD1 4.49Å; I129-L169 HydrophobicContact CG2-CG 4.3Å; I129-V431 HydrophobicContact CD1-CG1 4.37Å; I129-F432 HydrophobicContact CD1-CD1 3.81Å; I129-F432 HydrophobicContact CD1-CE1 3.76Å; I129-F432 HydrophobicContact CD1-CG 4.27Å; I129-F432 HydrophobicContact CD1-CZ 4.16Å; I129-T435 HydrophobicContact CD1-CG2 4.16Å; I129-T435 HydrophobicContact CG1-CG2 4.13Å
130I98.7Very high95.6Very high0 Ų030 Ų300%018%0.175CC..EExtended strand (participates in β ladder)trans-106.9128.6172.3-56.5165.4000108.5L105 N107 L114 L128 W132 A165 A167 N168 L169L105-I130 WeakPolarHBondContact O-CA 3.35Å; N107-I130 HydrophobicContact CB-CG2 3.83Å; L114-I130 HydrophobicContact CD2-CD1 3.39Å; L114-I130 HydrophobicContact CD2-CG1 3.98Å; L114-I130 HydrophobicContact CD2-CG2 4.4Å; L128-I130 HydrophobicContact CD2-CD1 4.48Å; L128-I130 HydrophobicContact CD2-CG1 4.4Å; L128-I130 HydrophobicContact CG-CG1 4.25Å; I130-W132 HydrophobicContact CD1-CZ2 3.99Å; I130-W132 HydrophobicContact CG2-CD2 4Å; I130-W132 HydrophobicContact CG2-CG 4.12Å; I130-W132 HydrophobicContact CG2-CZ2 4.05Å; I130-A165 HydrophobicContact CD1-CB 3.56Å; I130-A165 HydrophobicContact CG1-CB 3.81Å; I130-A167 PolarHBondContact N-O 3.11Å; I130-N168 CarbonylContact O-C 3.58Å; I130-N168 WeakPolarHBondContact O-CA 3.49Å; I130-L169 PolarHBondContact O-N 3.42Å
131D98.5Very high95.1Very high0 Ų030.7 Ų30.70%018%0.18CC..EExtended strand (participates in β ladder)trans-98.8107.4169.8-171.920.7000109.5R25 H29 L104 L105 N107 H133 L169R25-D131 IonicContact CZ-OD1 2.71Å; R25-D131 IonicContact CZ-OD2 2.59Å; R25-D131 IonicContact NE-OD1 2.97Å; R25-D131 PolarHBondContact NE-OD1 2.75Å; R25-D131 IonicContact NE-OD2 2.67Å; R25-D131 PolarHBondContact NE-OD2 2.74Å; R25-D131 IonicContact NH2-OD1 2.89Å; R25-D131 PolarHBondContact NH2-OD1 2.97Å; R25-D131 IonicContact NH2-OD2 3.78Å; H29-D131 IonicContact CD2-OD2 3.62Å; H29-D131 IonicContact NE2-OD2 2.79Å; H29-D131 PolarHBondContact NE2-OD2 2.91Å; L104-D131 HydrophobicContact CD1-CB 4.19Å; L105-D131 PolarHBondContact O-N 2.89Å; N107-D131 PolarHBondContact N-O 2.83Å; D131-H133 IonicContact OD1-CD2 3.81Å; D131-H133 IonicContact OD1-NE2 3.93Å; D131-H133 IonicContact OD2-CD2 3.3Å; D131-H133 IonicContact OD2-NE2 2.8Å; D131-H133 PolarHBondContact OD2-NE2 2.95Å; D131-L169 HydrophobicContact CB-CB 4.3Å; D131-L169 WeakPolarHBondContact OD1-CB 3.47Å
132W98.2Very high94.4Very high0 Ų035.9 Ų35.90%020%0.203CC..EExtended strand (participates in β ladder)trans-89.6112-174.9-61.782.5000110.6N107 I130 Y135 E158 F159 N168 L169 C170 V171 M175 L179 I184N107-W132 HydrophobicContact CB-CE3 4.35Å; N107-W132 WeakPolarHBondContact ND2-CZ3 3.26Å; I130-W132 HydrophobicContact CD1-CZ2 3.99Å; I130-W132 HydrophobicContact CG2-CD2 4Å; I130-W132 HydrophobicContact CG2-CG 4.12Å; I130-W132 HydrophobicContact CG2-CZ2 4.05Å; W132-Y135 HydrophobicContact CE3-CD1 4Å; W132-Y135 AromaticContact CE3-CE1 3.94Å; W132-Y135 HydrophobicContact CE3-CE1 3.94Å; W132-Y135 HydrophobicContact CZ3-CD1 4.27Å; W132-Y135 HydrophobicContact CZ3-CE1 4.4Å; W132-E158 HydrophobicContact CH2-CG 4.25Å; W132-E158 HydrophobicContact CZ3-CG 3.88Å; W132-F159 HydrophobicContact CH2-CD1 4.35Å; W132-F159 HydrophobicContact CH2-CE1 4.49Å; W132-F159 HydrophobicContact CZ3-CD1 4.45Å; W132-F159 HydrophobicContact CZ3-CE1 4.15Å; W132-N168 PolarHBondContact NE1-OD1 3.34Å; W132-L169 VanDerWaalsContact CD1-O 3.24Å; W132-L169 PolarHBondContact N-O 3.23Å; W132-C170 HydrophobicContact CB-CB 4.09Å; W132-C170 WeakPolarHBondContact O-CA 3.45Å; W132-V171 PolarHBondContact O-N 3.13Å; W132-M175 HydrophobicContact CB-SD 3.68Å; W132-L179 HydrophobicContact CB-CD1 3.95Å; W132-L179 HydrophobicContact CD2-CD1 4.16Å; W132-L179 HydrophobicContact CD2-CD2 3.7Å; W132-L179 HydrophobicContact CE3-CD2 3.8Å; W132-L179 HydrophobicContact CG-CD1 3.73Å; W132-L179 HydrophobicContact CG-CD2 4.18Å; W132-L179 HydrophobicContact CH2-CD2 4.39Å; W132-L179 HydrophobicContact CZ2-CD2 4.28Å; W132-L179 HydrophobicContact CZ3-CD2 4.15Å; W132-I184 HydrophobicContact CZ2-CD1 4.23Å
133H94Very high93.6Very high27 Ų2740 Ų4013%0.12521%0.206CC..SBendtrans-104.6-35.3177.7-75.4-130.4000112.5R25 N107 D131 V171 M175 D345R25-H133 WeakPolarHBondContact CD-CE1 3.47Å; R25-H133 VanDerWaalsContact CD-NE2 3.29Å; R25-H133 WeakPolarHBondContact CD-NE2 3.36Å; R25-H133 WeakPolarHBondContact CG-CE1 3.32Å; R25-H133 WeakPolarHBondContact CG-NE2 3.26Å; R25-H133 PolarHBondContact NE-NE2 3.31Å; R25-H133 VanDerWaalsContact NE-NE2 3.1Å; N107-H133 WeakPolarHBondContact O-CB 3.35Å; N107-H133 PolarHBondContact O-N 3.43Å; D131-H133 IonicContact OD1-CD2 3.81Å; D131-H133 IonicContact OD1-NE2 3.93Å; D131-H133 IonicContact OD2-CD2 3.3Å; D131-H133 IonicContact OD2-NE2 2.8Å; D131-H133 PolarHBondContact OD2-NE2 2.95Å; H133-V171 HydrophobicContact CB-CG1 4.44Å; H133-M175 WeakPolarHBondContact O-CE 3.28Å; H133-D345 WeakPolarHBondContact O-CB 3.49Å
134N94.9Very high92.8Very high13 Ų1338.6 Ų38.67%0.0719%0.192CC..SBendtrans-161.6-177.7175.7-149.7-40.7000108N107 P108 T341 S342 D345N107-N134 PolarHBondContact ND2-O 3.37Å; P108-N134 HydrophobicContact CG-CB 4.16Å; N134-T341 PolarHBondContact ND2-OG1 3.43Å; N134-T341 PolarHBondContact OD1-OG1 3.27Å; N134-S342 WeakPolarHBondContact OD1-CB 3.42Å; N134-S342 PolarHBondContact OD1-OG 2.87Å; N134-D345 PolarHBondContact ND2-OD1 3.47Å; N134-D345 PolarHBondContact ND2-OD2 3.42Å
135Y95.6Very high92.1Very high3 Ų339.5 Ų39.51%0.01220%0.203CC..  trans-110.1131.6175.6-53-31000111W132 S137 S138 M139 E158 F159 M175 D178 L179 L344W132-Y135 HydrophobicContact CE3-CD1 4Å; W132-Y135 AromaticContact CE3-CE1 3.94Å; W132-Y135 HydrophobicContact CE3-CE1 3.94Å; W132-Y135 HydrophobicContact CZ3-CD1 4.27Å; W132-Y135 HydrophobicContact CZ3-CE1 4.4Å; Y135-S137 PolarHBondContact O-N 3.37Å; Y135-S138 PolarHBondContact O-N 3.33Å; Y135-M139 WeakPolarHBondContact O-CG 3.22Å; Y135-M139 PolarHBondContact O-N 2.91Å; Y135-E158 WeakPolarHBondContact CA-OE1 3.03Å; Y135-F159 HydrophobicContact CD1-CE1 4.28Å; Y135-F159 HydrophobicContact CD1-CZ 4.07Å; Y135-F159 AromaticContact CD2-CZ 3.94Å; Y135-F159 HydrophobicContact CD2-CZ 3.94Å; Y135-F159 HydrophobicContact CE1-CE1 4.05Å; Y135-F159 HydrophobicContact CE1-CZ 4.13Å; Y135-F159 HydrophobicContact CE2-CE1 4.49Å; Y135-F159 AromaticContact CE2-CZ 3.94Å; Y135-F159 HydrophobicContact CE2-CZ 3.94Å; Y135-F159 AromaticContact CG-CZ 3.99Å; Y135-F159 HydrophobicContact CG-CZ 3.99Å; Y135-M175 HydrophobicContact CE1-CG 4.25Å; Y135-M175 HydrophobicContact CE1-SD 4.27Å; Y135-D178 WeakPolarHBondContact CE2-OD2 3.34Å; Y135-D178 PolarHBondContact OH-OD2 2.94Å; Y135-L179 HydrophobicContact CE1-CD2 3.96Å; Y135-L344 HydrophobicContact CE2-CD1 3.61Å
136T94.2Very high91.3Very high13 Ų1342.1 Ų42.18%0.0821%0.209CC..Hα-helixtrans-58.1-39.9173-53.70000110.6A110 M139 L140 E158A110-T136 HydrophobicContact CB-CG2 4.21Å; A110-T136 WeakPolarHBondContact CB-OG1 3.3Å; A110-T136 PolarHBondContact N-OG1 3.19Å; T136-M139 PolarHBondContact O-N 3.47Å; T136-L140 HydrophobicContact CG2-CD1 4.19Å; T136-L140 HydrophobicContact CG2-CG 4.42Å; T136-L140 WeakPolarHBondContact O-CB 3.32Å; T136-L140 VanDerWaalsContact O-CG 3.27Å; T136-L140 WeakPolarHBondContact O-CG 3.28Å; T136-L140 PolarHBondContact O-N 3.44Å; T136-E158 WeakPolarHBondContact CB-OE1 3.48Å; T136-E158 VanDerWaalsContact N-CD 3.32Å; T136-E158 PolarHBondContact N-OE1 2.87Å; T136-E158 PolarHBondContact N-OE2 2.82Å; T136-E158 VanDerWaalsContact N-OE2 3.11Å; T136-E158 PolarHBondContact OG1-OE1 3.19Å
137S92.8Very high90.5Very high2 Ų246.7 Ų46.71%0.01424%0.241CC..Hα-helixtrans-63.4-37.9174.152.70000113Y135 L140 A141 N151 N155 E158Y135-S137 PolarHBondContact O-N 3.37Å; S137-L140 PolarHBondContact O-N 3.15Å; S137-A141 WeakPolarHBondContact O-CB 3.39Å; S137-A141 PolarHBondContact O-N 2.86Å; S137-N151 PolarHBondContact O-OD1 3.32Å; S137-N155 PolarHBondContact OG-ND2 3.22Å; S137-E158 PolarHBondContact N-OE2 2.79Å; S137-E158 PolarHBondContact OG-OE2 2.8Å
138S91.3Very high90Very high25 Ų2543.8 Ų43.818%0.17523%0.234CC..Hα-helixtrans-65.9-42174.3-60.60000111.8Y135 L140 A141 Q142Y135-S138 PolarHBondContact O-N 3.33Å; S138-L140 PolarHBondContact O-N 3.21Å; S138-A141 WeakPolarHBondContact O-CB 3.39Å; S138-A141 PolarHBondContact O-N 3.42Å; S138-Q142 PolarHBondContact O-N 3.41Å
139M87.5Confident89.6Confident88 Ų8848.7 Ų48.743%0.43326%0.264SS..Hα-helixtrans-65.4-37.1175.7-62.5179.580.100113.2P108 Y135 T136P108-M139 HydrophobicContact CB-SD 3.86Å; P108-M139 HydrophobicContact CG-SD 3.49Å; P108-M139 WeakPolarHBondContact CG-SD 3.37Å; Y135-M139 WeakPolarHBondContact O-CG 3.22Å; Y135-M139 PolarHBondContact O-N 2.91Å; T136-M139 PolarHBondContact O-N 3.47Å
140L89Confident89Confident35 Ų3553 Ų5318%0.18329%0.286CS..Hα-helixtrans-70.5-35.6176.1-73177.4000111.8T136 S137 S138 Q142 K143 W144 N151 A154T136-L140 HydrophobicContact CG2-CD1 4.19Å; T136-L140 HydrophobicContact CG2-CG 4.42Å; T136-L140 WeakPolarHBondContact O-CB 3.32Å; T136-L140 VanDerWaalsContact O-CG 3.27Å; T136-L140 WeakPolarHBondContact O-CG 3.28Å; T136-L140 PolarHBondContact O-N 3.44Å; S137-L140 PolarHBondContact O-N 3.15Å; S138-L140 PolarHBondContact O-N 3.21Å; L140-Q142 PolarHBondContact O-N 3.45Å; L140-K143 PolarHBondContact O-N 3.04Å; L140-W144 HydrophobicContact CB-CE3 4.49Å; L140-W144 HydrophobicContact CD1-CZ3 4.48Å; L140-W144 HydrophobicContact CD2-CE3 4.12Å; L140-W144 HydrophobicContact CD2-CH2 4.39Å; L140-W144 HydrophobicContact CD2-CZ3 3.76Å; L140-W144 PolarHBondContact O-N 3.14Å; L140-N151 WeakPolarHBondContact CB-OD1 3.38Å; L140-A154 HydrophobicContact CD1-CB 3.73Å
141A88.4Confident88.6Confident15 Ų1553.4 Ų53.412%0.12429%0.288CS..Hα-helixtrans-60.4-31.9177.400000112.8S137 S138 K143 S145 T146 N151S137-A141 WeakPolarHBondContact O-CB 3.39Å; S137-A141 PolarHBondContact O-N 2.86Å; S138-A141 WeakPolarHBondContact O-CB 3.39Å; S138-A141 PolarHBondContact O-N 3.42Å; A141-K143 PolarHBondContact O-N 3.5Å; A141-S145 WeakPolarHBondContact O-CA 3.11Å; A141-S145 PolarHBondContact O-N 2.97Å; A141-T146 HydrophobicContact CB-CG2 3.64Å; A141-N151 PolarHBondContact N-OD1 3.02Å
142Q82.7Confident88.2Confident118 Ų11858.7 Ų58.755%0.55131%0.313SS*.Hα-helixtrans-62.4-31.4173.2-69.7-171.3-40.300113.1S138 L140 T341S138-Q142 PolarHBondContact O-N 3.41Å; L140-Q142 PolarHBondContact O-N 3.45Å; Q142-T341 HydrophobicContact CG-CG2 4.37Å
143K80.6Confident88Confident169 Ų16964.6 Ų64.674%0.73534%0.342SS*.Hα-helixtrans-90.4-35.2-179.2-67.4-177.3-179.3174.90113.2L140 A141L140-K143 PolarHBondContact O-N 3.04Å; A141-K143 PolarHBondContact O-N 3.5Å
144W80.5Confident87.9Confident93 Ų9363.7 Ų63.735%0.35234%0.339SS..Hα-helixtrans-122.11.5-169.3-67.6-29.4000114.7L78 L140 N148 I150L78-W144 HydrophobicContact CD1-CH2 4.14Å; L78-W144 HydrophobicContact CD1-CZ2 3.78Å; L140-W144 HydrophobicContact CB-CE3 4.49Å; L140-W144 HydrophobicContact CD1-CZ3 4.48Å; L140-W144 HydrophobicContact CD2-CE3 4.12Å; L140-W144 HydrophobicContact CD2-CH2 4.39Å; L140-W144 HydrophobicContact CD2-CZ3 3.76Å; L140-W144 PolarHBondContact O-N 3.14Å; W144-N148 HydrophobicContact CB-CB 4.14Å; W144-N148 WeakPolarHBondContact O-CB 3.45Å; W144-I150 HydrophobicContact CE3-CB 4.39Å; W144-I150 HydrophobicContact CE3-CG2 3.95Å; W144-I150 HydrophobicContact CZ3-CB 4.5Å; W144-I150 HydrophobicContact CZ3-CG2 3.63Å
145S80.7Confident87.9Confident57 Ų5764.8 Ų64.840%0.39935%0.345SS..  trans69.8152.2-169.1-175.50000114.2A141 S147 N148A141-S145 WeakPolarHBondContact O-CA 3.11Å; A141-S145 PolarHBondContact O-N 2.97Å; S145-S147 PolarHBondContact O-N 3.39Å; S145-S147 PolarHBondContact OG-N 2.99Å; S145-S147 PolarHBondContact OG-OG 3.19Å; S145-N148 WeakPolarHBondContact O-CB 3.4Å; S145-N148 PolarHBondContact O-N 3.13Å
146T78.4Confident87.9Confident107 Ų10769.7 Ų69.766%0.65637%0.37SS*.THydrogen-bonded Turntrans-64-27.6174.152.10000112.7A141 N148A141-T146 HydrophobicContact CB-CG2 3.64Å; T146-N148 PolarHBondContact O-N 3.36Å
147S80.1Confident88Confident105 Ų10571.3 Ų71.373%0.73438%0.375SS*.THydrogen-bonded Turntrans-75.6-7.7-180600000114S145S145-S147 PolarHBondContact O-N 3.39Å; S145-S147 PolarHBondContact OG-N 2.99Å; S145-S147 PolarHBondContact OG-OG 3.19Å
148N87.2Confident88.2Confident48 Ų4871.2 Ų71.226%0.25738%0.375SS..  trans-75132.8-179.2-170.1-55.6000111.9W144 S145 T146 I150 N151 H152W144-N148 HydrophobicContact CB-CB 4.14Å; W144-N148 WeakPolarHBondContact O-CB 3.45Å; S145-N148 WeakPolarHBondContact O-CB 3.4Å; S145-N148 PolarHBondContact O-N 3.13Å; T146-N148 PolarHBondContact O-N 3.36Å; N148-I150 PolarHBondContact O-N 3.48Å; N148-I150 VanDerWaalsContact OD1-CB 3.3Å; N148-I150 WeakPolarHBondContact OD1-CB 3.32Å; N148-I150 PolarHBondContact OD1-N 2.85Å; N148-N151 HydrophobicContact CB-CB 4.3Å; N148-N151 WeakPolarHBondContact O-CA 3.44Å; N148-N151 WeakPolarHBondContact O-CB 3.31Å; N148-N151 PolarHBondContact O-N 3.08Å; N148-H152 PolarHBondContact O-N 2.74Å
149T89.1Confident88.6Confident104 Ų10470.2 Ų70.264%0.63837%0.367SS*.Hα-helixtrans-54.7-38.8178.7-48.50000112.7N151 H152 M153T149-N151 VanDerWaalsContact C-N 3.3Å; T149-N151 PolarHBondContact O-N 3.4Å; T149-H152 PolarHBondContact O-N 3.29Å; T149-M153 HydrophobicContact CG2-SD 4.44Å; T149-M153 WeakPolarHBondContact O-CG 3.03Å; T149-M153 PolarHBondContact O-N 2.71Å
150I87.8Confident89Confident90 Ų9067.1 Ų67.146%0.46236%0.358SS..Hα-helixtrans-62.3-41177.3-60.7172.7000110.3W144 N148 M153 A154W144-I150 HydrophobicContact CE3-CB 4.39Å; W144-I150 HydrophobicContact CE3-CG2 3.95Å; W144-I150 HydrophobicContact CZ3-CB 4.5Å; W144-I150 HydrophobicContact CZ3-CG2 3.63Å; N148-I150 PolarHBondContact O-N 3.48Å; N148-I150 VanDerWaalsContact OD1-CB 3.3Å; N148-I150 WeakPolarHBondContact OD1-CB 3.32Å; N148-I150 PolarHBondContact OD1-N 2.85Å; I150-M153 PolarHBondContact O-N 3.38Å; I150-A154 WeakPolarHBondContact O-CB 3.29Å; I150-A154 PolarHBondContact O-N 2.95Å
151N89Confident89.4Confident9 Ų967.8 Ų67.85%0.04836%0.361CS..Hα-helixtrans-66.8-42.1178.4-169.459000111.9S137 L140 A141 N148 T149 M153 A154 N155S137-N151 PolarHBondContact O-OD1 3.32Å; L140-N151 WeakPolarHBondContact CB-OD1 3.38Å; A141-N151 PolarHBondContact N-OD1 3.02Å; N148-N151 HydrophobicContact CB-CB 4.3Å; N148-N151 WeakPolarHBondContact O-CA 3.44Å; N148-N151 WeakPolarHBondContact O-CB 3.31Å; N148-N151 PolarHBondContact O-N 3.08Å; T149-N151 VanDerWaalsContact C-N 3.3Å; T149-N151 PolarHBondContact O-N 3.4Å; N151-M153 VanDerWaalsContact C-N 3.35Å; N151-M153 PolarHBondContact O-N 2.97Å; N151-A154 PolarHBondContact O-N 3.32Å; N151-N155 WeakPolarHBondContact O-CB 3.11Å; N151-N155 PolarHBondContact O-N 3.4Å
152H90.9Very high89.8Confident112 Ų11267 Ų6752%0.51936%0.355SS..Hα-helixtrans-62-42.6175.3-171.660000111.9N148 T149 N155 L156N148-H152 PolarHBondContact O-N 2.74Å; T149-H152 PolarHBondContact O-N 3.29Å; H152-N155 WeakPolarHBondContact O-CB 3.15Å; H152-N155 PolarHBondContact O-N 2.94Å; H152-L156 WeakPolarHBondContact O-CG 3.36Å; H152-L156 PolarHBondContact O-N 2.93Å
153M92.8Very high90.6Very high124 Ų12468 Ų6861%0.61135%0.353SS*.Hα-helixtrans-63.2-43.3174.4-71.1-179.471.100112.2T149 I150 N151 N155 L156 Y157T149-M153 HydrophobicContact CG2-SD 4.44Å; T149-M153 WeakPolarHBondContact O-CG 3.03Å; T149-M153 PolarHBondContact O-N 2.71Å; I150-M153 PolarHBondContact O-N 3.38Å; N151-M153 VanDerWaalsContact C-N 3.35Å; N151-M153 PolarHBondContact O-N 2.97Å; M153-N155 VanDerWaalsContact C-N 3.29Å; M153-N155 PolarHBondContact O-N 3.43Å; M153-L156 PolarHBondContact O-N 2.88Å; M153-Y157 VanDerWaalsContact O-CB 3.27Å; M153-Y157 WeakPolarHBondContact O-CB 3.35Å; M153-Y157 PolarHBondContact O-N 3.49Å
154A93.1Very high91.3Very high7 Ų763.4 Ų63.46%0.05834%0.341CS..Hα-helixtrans-60.9-39.8175.800000111.5L111 L140 I150 N151 Y157 E158L111-A154 HydrophobicContact CD1-CB 4.25Å; L140-A154 HydrophobicContact CD1-CB 3.73Å; I150-A154 WeakPolarHBondContact O-CB 3.29Å; I150-A154 PolarHBondContact O-N 2.95Å; N151-A154 PolarHBondContact O-N 3.32Å; A154-Y157 PolarHBondContact O-N 3.07Å; A154-E158 WeakPolarHBondContact O-CB 3.3Å; A154-E158 PolarHBondContact O-N 2.99Å
155N94.3Very high92.2Very high37 Ų3759.8 Ų59.820%0.19833%0.331CS..Hα-helixtrans-62.8-51.1176-166.1-87.5000111.7S137 N151 H152 M153 Y157 E158 F159 R182S137-N155 PolarHBondContact OG-ND2 3.22Å; N151-N155 WeakPolarHBondContact O-CB 3.11Å; N151-N155 PolarHBondContact O-N 3.4Å; H152-N155 WeakPolarHBondContact O-CB 3.15Å; H152-N155 PolarHBondContact O-N 2.94Å; M153-N155 VanDerWaalsContact C-N 3.29Å; M153-N155 PolarHBondContact O-N 3.43Å; N155-Y157 VanDerWaalsContact C-N 3.3Å; N155-Y157 PolarHBondContact O-N 3.2Å; N155-E158 PolarHBondContact O-N 3.1Å; N155-F159 WeakPolarHBondContact ND2-CE2 3.49Å; N155-F159 WeakPolarHBondContact O-CD2 3.43Å; N155-F159 PolarHBondContact O-N 3.4Å; N155-R182 PolarHBondContact OD1-NH1 3.27Å
156L95.8Very high93Very high105 Ų10558.7 Ų58.755%0.5532%0.321SS..Hα-helixtrans-60.2-41177.5-70.5175.6000112H152 M153 G160H152-L156 WeakPolarHBondContact O-CG 3.36Å; H152-L156 PolarHBondContact O-N 2.93Å; M153-L156 PolarHBondContact O-N 2.88Å; L156-G160 WeakPolarHBondContact O-CA 3.47Å; L156-G160 PolarHBondContact O-N 3.49Å
157Y96.7Very high93.9Very high47 Ų4753.8 Ų53.818%0.18429%0.291CS..Hα-helixtrans-63.4-50.4176.1166.1-90.6000112.1A110 L111 L114 L115 M153 A154 N155 F159 G160 M161A110-Y157 HydrophobicContact CB-CE1 4.22Å; A110-Y157 PolarHBondContact O-OH 3Å; L111-Y157 HydrophobicContact CD2-CD1 3.57Å; L111-Y157 HydrophobicContact CD2-CD2 4.4Å; L111-Y157 HydrophobicContact CD2-CE1 3.32Å; L111-Y157 HydrophobicContact CD2-CE2 4.18Å; L111-Y157 HydrophobicContact CD2-CG 4.11Å; L111-Y157 HydrophobicContact CG-CD1 3.98Å; L111-Y157 HydrophobicContact CG-CE1 3.78Å; L114-Y157 HydrophobicContact CB-CE1 4.41Å; L115-Y157 HydrophobicContact CB-CE2 4.04Å; L115-Y157 WeakPolarHBondContact CB-OH 3.47Å; L115-Y157 PolarHBondContact N-OH 2.98Å; M153-Y157 VanDerWaalsContact O-CB 3.27Å; M153-Y157 WeakPolarHBondContact O-CB 3.35Å; M153-Y157 PolarHBondContact O-N 3.49Å; A154-Y157 PolarHBondContact O-N 3.07Å; N155-Y157 VanDerWaalsContact C-N 3.3Å; N155-Y157 PolarHBondContact O-N 3.2Å; Y157-F159 PolarHBondContact O-N 3.15Å; Y157-G160 PolarHBondContact O-N 2.87Å; Y157-M161 HydrophobicContact CD2-CG 3.87Å; Y157-M161 HydrophobicContact CE1-CG 4.3Å; Y157-M161 HydrophobicContact CE2-CG 3.53Å; Y157-M161 HydrophobicContact CE2-SD 4.25Å; Y157-M161 HydrophobicContact CG-CG 4.41Å; Y157-M161 WeakPolarHBondContact O-CG 3.27Å; Y157-M161 PolarHBondContact O-N 3.32Å
158E97.7Very high94.8Very high0 Ų048.8 Ų48.80%026%0.256CS..Hα-helixtrans-59-49.5-174.7176.5163.9-137.800110.9N107 A110 L114 W132 Y135 T136 S137 A154 N155 G162N107-E158 PolarHBondContact ND2-OE1 2.79Å; N107-E158 PolarHBondContact OD1-OE1 2.84Å; A110-E158 HydrophobicContact CB-CB 4.07Å; A110-E158 HydrophobicContact CB-CG 3.85Å; L114-E158 HydrophobicContact CD1-CG 4.2Å; W132-E158 HydrophobicContact CH2-CG 4.25Å; W132-E158 HydrophobicContact CZ3-CG 3.88Å; Y135-E158 WeakPolarHBondContact CA-OE1 3.03Å; T136-E158 WeakPolarHBondContact CB-OE1 3.48Å; T136-E158 VanDerWaalsContact N-CD 3.32Å; T136-E158 PolarHBondContact N-OE1 2.87Å; T136-E158 PolarHBondContact N-OE2 2.82Å; T136-E158 VanDerWaalsContact N-OE2 3.11Å; T136-E158 PolarHBondContact OG1-OE1 3.19Å; S137-E158 PolarHBondContact N-OE2 2.79Å; S137-E158 PolarHBondContact OG-OE2 2.8Å; A154-E158 WeakPolarHBondContact O-CB 3.3Å; A154-E158 PolarHBondContact O-N 2.99Å; N155-E158 PolarHBondContact O-N 3.1Å; E158-G162 PolarHBondContact O-N 2.81Å
159F97.6Very high95.4Very high4 Ų446.5 Ų46.52%0.01824%0.244CC..Hα-helixtrans-76.9-29176.5-60-65.1000112.9W132 Y135 N155 Y157 G162 R163 L179 R182 I184W132-F159 HydrophobicContact CH2-CD1 4.35Å; W132-F159 HydrophobicContact CH2-CE1 4.49Å; W132-F159 HydrophobicContact CZ3-CD1 4.45Å; W132-F159 HydrophobicContact CZ3-CE1 4.15Å; Y135-F159 HydrophobicContact CD1-CE1 4.28Å; Y135-F159 HydrophobicContact CD1-CZ 4.07Å; Y135-F159 AromaticContact CD2-CZ 3.94Å; Y135-F159 HydrophobicContact CD2-CZ 3.94Å; Y135-F159 HydrophobicContact CE1-CE1 4.05Å; Y135-F159 HydrophobicContact CE1-CZ 4.13Å; Y135-F159 HydrophobicContact CE2-CE1 4.49Å; Y135-F159 AromaticContact CE2-CZ 3.94Å; Y135-F159 HydrophobicContact CE2-CZ 3.94Å; Y135-F159 AromaticContact CG-CZ 3.99Å; Y135-F159 HydrophobicContact CG-CZ 3.99Å; N155-F159 WeakPolarHBondContact ND2-CE2 3.49Å; N155-F159 WeakPolarHBondContact O-CD2 3.43Å; N155-F159 PolarHBondContact O-N 3.4Å; Y157-F159 PolarHBondContact O-N 3.15Å; F159-G162 PolarHBondContact O-N 2.88Å; F159-R163 WeakPolarHBondContact O-CG 3.35Å; F159-R163 PolarHBondContact O-N 3.28Å; F159-L179 HydrophobicContact CD1-CD2 4.46Å; F159-L179 HydrophobicContact CE1-CD2 4Å; F159-R182 HydrophobicContact CD1-CB 4.07Å; F159-R182 HydrophobicContact CD1-CG 4.47Å; F159-R182 HydrophobicContact CE1-CB 4.5Å; F159-R182 HydrophobicContact CG-CB 4.29Å; F159-I184 HydrophobicContact CD1-CD1 4.44Å; F159-I184 HydrophobicContact CD1-CG1 4.34Å
160G97.1Very high95.8Very high23 Ų2341.6 Ų41.624%0.23721%0.214CC..Hα-helixtrans-59-52.1172.900000112.2L156 Y157L156-G160 WeakPolarHBondContact O-CA 3.47Å; L156-G160 PolarHBondContact O-N 3.49Å; Y157-G160 PolarHBondContact O-N 2.87Å
161M97.5Very high96.2Very high49 Ų4937.4 Ų37.424%0.24119%0.193CC..Hα-helixtrans-71-36.2176.4-62.4-62.4114.500111.9L114 L115 Y157 R163 C164L114-M161 HydrophobicContact CB-CB 3.82Å; L114-M161 HydrophobicContact CB-CG 4.37Å; L114-M161 HydrophobicContact CD1-CB 4.26Å; L115-M161 HydrophobicContact CD1-SD 4.18Å; Y157-M161 HydrophobicContact CD2-CG 3.87Å; Y157-M161 HydrophobicContact CE1-CG 4.3Å; Y157-M161 HydrophobicContact CE2-CG 3.53Å; Y157-M161 HydrophobicContact CE2-SD 4.25Å; Y157-M161 HydrophobicContact CG-CG 4.41Å; Y157-M161 WeakPolarHBondContact O-CG 3.27Å; Y157-M161 PolarHBondContact O-N 3.32Å; M161-R163 PolarHBondContact O-N 2.84Å; M161-C164 VanDerWaalsContact O-CB 3.29Å; M161-C164 WeakPolarHBondContact O-CB 3.28Å; M161-C164 PolarHBondContact O-N 2.93Å
162G97.5Very high96.7Very high0 Ų037 Ų370%019%0.19CC..Hα-helixtrans-57.8-31.6178.100000113.9E158 F159 C164 A165E158-G162 PolarHBondContact O-N 2.81Å; F159-G162 PolarHBondContact O-N 2.88Å; G162-C164 PolarHBondContact O-N 2.98Å; G162-A165 PolarHBondContact O-N 3.47Å
163R97.8Very high97Very high139 Ų13935 Ų3553%0.52518%0.183SC..THydrogen-bonded Turntrans-66.1-15.1175.9-71.7-179.1-160.5109.5-0.9114F159 M161 A165 R182 G183 I184F159-R163 WeakPolarHBondContact O-CG 3.35Å; F159-R163 PolarHBondContact O-N 3.28Å; M161-R163 PolarHBondContact O-N 2.84Å; R163-A165 VanDerWaalsContact C-N 3.32Å; R163-R182 PolarHBondContact NE-O 3.32Å; R163-R182 PolarHBondContact NH2-O 2.97Å; R163-G183 WeakPolarHBondContact CG-O 3.33Å; R163-I184 HydrophobicContact CG-CD1 3.83Å
164C97Very high97.2Very high71 Ų7130.2 Ų30.248%0.4816%0.163SC..THydrogen-bonded Turntrans-82.8-6.8178.3-59.30000113.4V118 M161 G162V118-C164 HydrophobicContact CG1-CB 3.81Å; V118-C164 HydrophobicContact CG2-CB 3.8Å; M161-C164 VanDerWaalsContact O-CB 3.29Å; M161-C164 WeakPolarHBondContact O-CB 3.28Å; M161-C164 PolarHBondContact O-N 2.93Å; G162-C164 PolarHBondContact O-N 2.98Å
165A97.7Very high97.5Very high17 Ų1729.9 Ų29.914%0.1416%0.161CC..  trans-73.9144.1178.300000112.7L128 I130 G162 R163L128-A165 HydrophobicContact CD2-CB 4.26Å; L128-A165 HydrophobicContact CG-CB 4.17Å; I130-A165 HydrophobicContact CD1-CB 3.56Å; I130-A165 HydrophobicContact CG1-CB 3.81Å; G162-A165 PolarHBondContact O-N 3.47Å; R163-A165 VanDerWaalsContact C-N 3.32Å
166D97.8Very high97.7Very high35 Ų3531.4 Ų31.419%0.18716%0.164CC..SBendtrans-76.1-28177.7-65.4-89.1000112.6R127 L128 R186 T435R127-D166 VanDerWaalsContact CA-OD2 3.24Å; R127-D166 WeakPolarHBondContact CA-OD2 3.18Å; R127-D166 HydrophobicContact CB-CB 4.43Å; R127-D166 VanDerWaalsContact CD-CG 3.42Å; R127-D166 VanDerWaalsContact CD-OD1 3.29Å; R127-D166 WeakPolarHBondContact CD-OD1 3.46Å; R127-D166 WeakPolarHBondContact CD-OD2 3.5Å; R127-D166 IonicContact CZ-OD1 3.88Å; R127-D166 IonicContact NE-OD1 3.59Å; R127-D166 IonicContact NH1-OD1 2.69Å; R127-D166 PolarHBondContact NH1-OD1 3.33Å; L128-D166 PolarHBondContact N-OD2 3.24Å; L128-D166 PolarHBondContact O-N 3.16Å; D166-R186 WeakPolarHBondContact O-CD 3.44Å; D166-R186 PolarHBondContact O-NH1 2.83Å; D166-T435 HydrophobicContact CB-CG2 4.18Å
167A98.1Very high97.8Very high3 Ų329.9 Ų29.93%0.02516%0.162CC..EExtended strand (participates in β ladder)trans-154159.9172.600000110.7L128 I129 I130 V431L128-A167 PolarHBondContact O-N 3.01Å; I129-A167 WeakPolarHBondContact CA-O 3.49Å; I129-A167 HydrophobicContact CG1-CB 4.3Å; I130-A167 PolarHBondContact N-O 3.11Å; A167-V431 HydrophobicContact CB-CG1 3.88Å
168N98.7Very high97.9Very high1 Ų128 Ų281%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-135.3135.1-178.7-65.5-85.4000110.3I130 W132 I184 G185 R186 V187 T188I130-N168 CarbonylContact O-C 3.58Å; I130-N168 WeakPolarHBondContact O-CA 3.49Å; W132-N168 PolarHBondContact NE1-OD1 3.34Å; N168-I184 HydrophobicContact CB-CG2 4.18Å; N168-I184 VanDerWaalsContact CG-CG2 3.49Å; N168-I184 VanDerWaalsContact ND2-CG2 3.3Å; N168-I184 WeakPolarHBondContact ND2-CG2 2.94Å; N168-G185 PolarHBondContact ND2-O 3.29Å; N168-R186 PolarHBondContact N-O 2.94Å; N168-V187 HydrophobicContact CB-CB 4.42Å; N168-V187 HydrophobicContact CB-CG1 4.39Å; N168-V187 HydrophobicContact CB-CG2 4.08Å; N168-V187 WeakPolarHBondContact O-CA 3.36Å; N168-T188 PolarHBondContact O-N 2.9Å
169L98.6Very high97.9Very high0 Ų028 Ų280%016%0.155CC..EExtended strand (participates in β ladder)trans-103.8148.9167.1-60.9175.4000108.7I129 I130 D131 W132 T188 V428 V431I129-L169 HydrophobicContact CG2-CD1 4.49Å; I129-L169 HydrophobicContact CG2-CG 4.3Å; I130-L169 PolarHBondContact O-N 3.42Å; D131-L169 HydrophobicContact CB-CB 4.3Å; D131-L169 WeakPolarHBondContact OD1-CB 3.47Å; W132-L169 VanDerWaalsContact CD1-O 3.24Å; W132-L169 PolarHBondContact N-O 3.23Å; L169-T188 CarbonylContact C-O 3.58Å; L169-T188 WeakPolarHBondContact CA-O 3.39Å; L169-T188 HydrophobicContact CD2-CG2 4.46Å; L169-V428 HydrophobicContact CD1-CG1 3.96Å; L169-V428 HydrophobicContact CD1-CG2 4.29Å; L169-V428 HydrophobicContact CD2-CG2 4.42Å; L169-V431 HydrophobicContact CD2-CB 4.44Å; L169-V431 HydrophobicContact CD2-CG1 4.28Å; L169-V431 HydrophobicContact CD2-CG2 4.2Å
170C98.4Very high97.9Very high0 Ų032.1 Ų32.10%018%0.177CC..EExtended strand (participates in β ladder)trans-146.5156173.361.70000111.6W132 T172 M175 L179 V187 T188 T189 F190W132-C170 HydrophobicContact CB-CB 4.09Å; W132-C170 WeakPolarHBondContact O-CA 3.45Å; C170-T172 PolarHBondContact O-N 3.22Å; C170-T172 PolarHBondContact SG-O 3.03Å; C170-M175 HydrophobicContact CB-CB 4.3Å; C170-M175 HydrophobicContact CB-CG 4.02Å; C170-M175 HydrophobicContact CB-SD 3.93Å; C170-L179 HydrophobicContact CB-CD1 3.79Å; C170-V187 HydrophobicContact CB-CG1 4.25Å; C170-V187 VanDerWaalsContact SG-CG1 3.5Å; C170-T188 PolarHBondContact N-O 3.41Å; C170-T189 WeakPolarHBondContact O-CA 3.36Å; C170-F190 CarbonylContact O-C 3.52Å; C170-F190 PolarHBondContact O-N 2.83Å
171V97.1Very high98Very high3 Ų339.9 Ų39.92%0.01820%0.199CC..SBendtrans-77-15.6-171.6-68.40000114.8W132 H133 M175 H191 D345W132-V171 PolarHBondContact O-N 3.13Å; H133-V171 HydrophobicContact CB-CG1 4.44Å; V171-M175 HydrophobicContact CG2-CE 3.72Å; V171-M175 HydrophobicContact CG2-SD 4.07Å; V171-H191 WeakPolarHBondContact O-CA 3.36Å; V171-H191 PolarHBondContact O-CD2 2.86Å; V171-D345 HydrophobicContact CG2-CB 4.04Å
172T97.9Very high97.9Very high0 Ų041.3 Ų41.30%020%0.201CC..  trans-148.5157.7-175.458.80000113.1C170 A174 M175 R176 T189 L344 L346 A367 E370C170-T172 PolarHBondContact O-N 3.22Å; C170-T172 PolarHBondContact SG-O 3.03Å; T172-A174 VanDerWaalsContact C-N 3.32Å; T172-M175 PolarHBondContact O-N 3.44Å; T172-M175 WeakPolarHBondContact OG1-CB 3.49Å; T172-M175 PolarHBondContact OG1-N 2.53Å; T172-R176 PolarHBondContact O-N 3.28Å; T172-T189 VanDerWaalsContact C-CG2 3.42Å; T172-L344 WeakPolarHBondContact CB-O 3.19Å; T172-L344 WeakPolarHBondContact CG2-O 3.4Å; T172-L344 PolarHBondContact OG1-O 2.67Å; T172-L346 HydrophobicContact CG2-CB 4.48Å; T172-L346 HydrophobicContact CG2-CD1 3.6Å; T172-L346 HydrophobicContact CG2-CD2 4.35Å; T172-L346 HydrophobicContact CG2-CG 3.47Å; T172-L346 VanDerWaalsContact CG2-CG 3.47Å; T172-A367 HydrophobicContact CG2-CB 4.38Å; T172-E370 WeakPolarHBondContact CA-OE2 3.22Å; T172-E370 VanDerWaalsContact CB-OE2 3.26Å; T172-E370 WeakPolarHBondContact CB-OE2 3.37Å
173D98.2Very high97.9Very high69 Ų6943.4 Ų43.437%0.36922%0.223SC..Hα-helixtrans-69.8-31.6172.5-72.1-41.4000111.8R176 S177 T189 H191 E370D173-R176 WeakPolarHBondContact O-CB 3.49Å; D173-R176 PolarHBondContact O-N 3.04Å; D173-S177 WeakPolarHBondContact O-CB 3.27Å; D173-S177 PolarHBondContact O-N 2.82Å; D173-S177 PolarHBondContact O-OG 3.09Å; D173-T189 VanDerWaalsContact OD1-CB 3.24Å; D173-T189 WeakPolarHBondContact OD1-CB 3.37Å; D173-T189 WeakPolarHBondContact OD1-CG2 3.44Å; D173-T189 PolarHBondContact OD1-OG1 3.48Å; D173-H191 IonicContact OD2-CE1 2.79Å; D173-H191 IonicContact OD2-NE2 3.9Å; D173-E370 PolarHBondContact N-OE1 3.34Å; D173-E370 PolarHBondContact N-OE2 2.91Å
174A97.9Very high98Very high24 Ų2437 Ų3720%0.19820%0.199CC..Hα-helixtrans-61.7-45.717100000111.3T172 S177 D178 L344 A367 E370T172-A174 VanDerWaalsContact C-N 3.32Å; A174-S177 PolarHBondContact O-N 2.77Å; A174-D178 PolarHBondContact O-N 2.79Å; A174-L344 HydrophobicContact CB-CD2 3.83Å; A174-A367 HydrophobicContact CB-CB 4.16Å; A174-E370 WeakPolarHBondContact CB-OE1 3.47Å; A174-E370 PolarHBondContact N-OE1 3.48Å
175M98.2Very high97.9Very high0 Ų035.7 Ų35.70%020%0.198CC..Hα-helixtrans-66-41.3174.6-172174.5-64.200111.3W132 H133 Y135 C170 V171 T172 S177 D178 L179 L344 D345W132-M175 HydrophobicContact CB-SD 3.68Å; H133-M175 WeakPolarHBondContact O-CE 3.28Å; Y135-M175 HydrophobicContact CE1-CG 4.25Å; Y135-M175 HydrophobicContact CE1-SD 4.27Å; C170-M175 HydrophobicContact CB-CB 4.3Å; C170-M175 HydrophobicContact CB-CG 4.02Å; C170-M175 HydrophobicContact CB-SD 3.93Å; V171-M175 HydrophobicContact CG2-CE 3.72Å; V171-M175 HydrophobicContact CG2-SD 4.07Å; T172-M175 PolarHBondContact O-N 3.44Å; T172-M175 WeakPolarHBondContact OG1-CB 3.49Å; T172-M175 PolarHBondContact OG1-N 2.53Å; M175-S177 VanDerWaalsContact C-N 3.3Å; M175-S177 PolarHBondContact O-N 2.67Å; M175-D178 PolarHBondContact O-N 3.44Å; M175-L179 HydrophobicContact CG-CD1 3.8Å; M175-L179 HydrophobicContact CG-CG 4.06Å; M175-L179 WeakPolarHBondContact O-CB 3.4Å; M175-L179 VanDerWaalsContact O-CG 3.27Å; M175-L179 WeakPolarHBondContact O-CG 3.36Å; M175-L179 PolarHBondContact O-N 3.49Å; M175-L179 HydrophobicContact SD-CD1 4.45Å; M175-L344 HydrophobicContact CB-CB 4.12Å; M175-L344 HydrophobicContact CE-CB 3.99Å; M175-D345 HydrophobicContact CE-CB 4.21Å
176R98.4Very high97.9Very high69 Ų6940.7 Ų40.726%0.2621%0.213SC..Hα-helixtrans-53.6-49.3173.7-179.3173179.8-1485.3111.5T172 D173 L179 I180 V187 T189T172-R176 PolarHBondContact O-N 3.28Å; D173-R176 WeakPolarHBondContact O-CB 3.49Å; D173-R176 PolarHBondContact O-N 3.04Å; R176-L179 PolarHBondContact O-N 3.4Å; R176-I180 HydrophobicContact CG-CD1 3.91Å; R176-I180 VanDerWaalsContact O-CG1 3.29Å; R176-I180 WeakPolarHBondContact O-CG1 3.48Å; R176-I180 PolarHBondContact O-N 3.46Å; R176-V187 HydrophobicContact CB-CG1 4.17Å; R176-V187 HydrophobicContact CG-CB 4.12Å; R176-V187 HydrophobicContact CG-CG1 3.88Å; R176-V187 PolarHBondContact NE-O 3.35Å; R176-T189 WeakPolarHBondContact CD-OG1 3.47Å
177S98.2Very high97.9Very high74 Ų7439.4 Ų39.452%0.51721%0.206SC..Hα-helixtrans-62.9-42.2179.9-600000111.9D173 A174 M175 R181D173-S177 WeakPolarHBondContact O-CB 3.27Å; D173-S177 PolarHBondContact O-N 2.82Å; D173-S177 PolarHBondContact O-OG 3.09Å; A174-S177 PolarHBondContact O-N 2.77Å; M175-S177 VanDerWaalsContact C-N 3.3Å; M175-S177 PolarHBondContact O-N 2.67Å; S177-R181 WeakPolarHBondContact O-CB 3.15Å; S177-R181 PolarHBondContact O-N 3.49Å
178D98.2Very high97.9Very high8 Ų840.7 Ų40.74%0.04321%0.214CC..Hα-helixtrans-67-43.9176.7-176.465.7000112.6Y135 A174 M175 I180 R181 R182 L344Y135-D178 WeakPolarHBondContact CE2-OD2 3.34Å; Y135-D178 PolarHBondContact OH-OD2 2.94Å; A174-D178 PolarHBondContact O-N 2.79Å; M175-D178 PolarHBondContact O-N 3.44Å; D178-I180 PolarHBondContact O-N 3.2Å; D178-R181 WeakPolarHBondContact O-CB 3.44Å; D178-R181 PolarHBondContact O-N 2.89Å; D178-R181 IonicContact OD1-CZ 3.58Å; D178-R181 IonicContact OD1-NE 3.57Å; D178-R181 IonicContact OD1-NH2 2.83Å; D178-R181 PolarHBondContact OD1-NH2 3.11Å; D178-R182 VanDerWaalsContact O-CG 3.27Å; D178-R182 WeakPolarHBondContact O-CG 3.47Å; D178-R182 PolarHBondContact O-N 3.29Å; D178-R182 IonicContact OD1-CZ 2.87Å; D178-R182 IonicContact OD1-NE 3.58Å; D178-R182 PolarHBondContact OD1-NE 2.78Å; D178-R182 IonicContact OD1-NH2 3.77Å; D178-R182 WeakPolarHBondContact OD2-CD 3.49Å; D178-R182 IonicContact OD2-CZ 3.67Å; D178-R182 IonicContact OD2-NE 3.59Å; D178-R182 PolarHBondContact OD2-NE 3.26Å; D178-R182 IonicContact OD2-NH2 3.93Å; D178-L344 HydrophobicContact CB-CD1 3.79Å
179L98.5Very high97.9Very high0 Ų041.3 Ų41.30%022%0.218CC..Hα-helixtrans-59.9-46.4176.6-74.6171.1000111.5W132 Y135 F159 C170 M175 R176 R181 R182 G183 I184 V187W132-L179 HydrophobicContact CB-CD1 3.95Å; W132-L179 HydrophobicContact CD2-CD1 4.16Å; W132-L179 HydrophobicContact CD2-CD2 3.7Å; W132-L179 HydrophobicContact CE3-CD2 3.8Å; W132-L179 HydrophobicContact CG-CD1 3.73Å; W132-L179 HydrophobicContact CG-CD2 4.18Å; W132-L179 HydrophobicContact CH2-CD2 4.39Å; W132-L179 HydrophobicContact CZ2-CD2 4.28Å; W132-L179 HydrophobicContact CZ3-CD2 4.15Å; Y135-L179 HydrophobicContact CE1-CD2 3.96Å; F159-L179 HydrophobicContact CD1-CD2 4.46Å; F159-L179 HydrophobicContact CE1-CD2 4Å; C170-L179 HydrophobicContact CB-CD1 3.79Å; M175-L179 HydrophobicContact CG-CD1 3.8Å; M175-L179 HydrophobicContact CG-CG 4.06Å; M175-L179 WeakPolarHBondContact O-CB 3.4Å; M175-L179 VanDerWaalsContact O-CG 3.27Å; M175-L179 WeakPolarHBondContact O-CG 3.36Å; M175-L179 PolarHBondContact O-N 3.49Å; M175-L179 HydrophobicContact SD-CD1 4.45Å; R176-L179 PolarHBondContact O-N 3.4Å; L179-R181 PolarHBondContact O-N 3.27Å; L179-R182 CarbonylContact O-C 3.47Å; L179-R182 WeakPolarHBondContact O-CA 3.43Å; L179-R182 PolarHBondContact O-N 3.24Å; L179-R182 VanDerWaalsContact O-N 3.11Å; L179-G183 PolarHBondContact O-N 3.09Å; L179-I184 HydrophobicContact CB-CB 4.07Å; L179-I184 HydrophobicContact CB-CG1 4.32Å; L179-I184 HydrophobicContact CD2-CB 4.46Å; L179-I184 HydrophobicContact CD2-CG1 3.96Å; L179-I184 WeakPolarHBondContact O-CB 3.41Å; L179-I184 PolarHBondContact O-N 3.39Å; L179-V187 HydrophobicContact CB-CG1 4.36Å; L179-V187 HydrophobicContact CB-CG2 4.08Å; L179-V187 HydrophobicContact CD1-CG1 3.84Å
180I98.4Very high97.9Very high90 Ų9041.4 Ų41.446%0.46222%0.218SC..Hα-helixtrans-61-45.6176.5-70.2168.9000110.6R176 D178 R182 G183 V187R176-I180 HydrophobicContact CG-CD1 3.91Å; R176-I180 VanDerWaalsContact O-CG1 3.29Å; R176-I180 WeakPolarHBondContact O-CG1 3.48Å; R176-I180 PolarHBondContact O-N 3.46Å; D178-I180 PolarHBondContact O-N 3.2Å; I180-R182 PolarHBondContact O-N 3.3Å; I180-G183 WeakPolarHBondContact O-CA 3.49Å; I180-G183 PolarHBondContact O-N 3.09Å; I180-V187 HydrophobicContact CG1-CB 4.31Å; I180-V187 HydrophobicContact CG1-CG2 4.09Å
181R97.8Very high97.8Very high185 Ų18542.7 Ų42.770%0.69822%0.224SC*.Hα-helixtrans-59.7-31.9175.8176.6175.357.1-149-1.4112.3S177 D178 L179 G183S177-R181 WeakPolarHBondContact O-CB 3.15Å; S177-R181 PolarHBondContact O-N 3.49Å; D178-R181 WeakPolarHBondContact O-CB 3.44Å; D178-R181 PolarHBondContact O-N 2.89Å; D178-R181 IonicContact OD1-CZ 3.58Å; D178-R181 IonicContact OD1-NE 3.57Å; D178-R181 IonicContact OD1-NH2 2.83Å; D178-R181 PolarHBondContact OD1-NH2 3.11Å; L179-R181 PolarHBondContact O-N 3.27Å; R181-G183 PolarHBondContact O-N 3.23Å
182R96.7Very high97.7Very high80 Ų8042.9 Ų42.930%0.30223%0.225SC..THydrogen-bonded Turntrans-81.42174.5-67.5173.5-178.2-82.9-4.7113.5N155 F159 R163 D178 L179 I180N155-R182 PolarHBondContact OD1-NH1 3.27Å; F159-R182 HydrophobicContact CD1-CB 4.07Å; F159-R182 HydrophobicContact CD1-CG 4.47Å; F159-R182 HydrophobicContact CE1-CB 4.5Å; F159-R182 HydrophobicContact CG-CB 4.29Å; R163-R182 PolarHBondContact NE-O 3.32Å; R163-R182 PolarHBondContact NH2-O 2.97Å; D178-R182 VanDerWaalsContact O-CG 3.27Å; D178-R182 WeakPolarHBondContact O-CG 3.47Å; D178-R182 PolarHBondContact O-N 3.29Å; D178-R182 IonicContact OD1-CZ 2.87Å; D178-R182 IonicContact OD1-NE 3.58Å; D178-R182 PolarHBondContact OD1-NE 2.78Å; D178-R182 IonicContact OD1-NH2 3.77Å; D178-R182 WeakPolarHBondContact OD2-CD 3.49Å; D178-R182 IonicContact OD2-CZ 3.67Å; D178-R182 IonicContact OD2-NE 3.59Å; D178-R182 PolarHBondContact OD2-NE 3.26Å; D178-R182 IonicContact OD2-NH2 3.93Å; L179-R182 CarbonylContact O-C 3.47Å; L179-R182 WeakPolarHBondContact O-CA 3.43Å; L179-R182 PolarHBondContact O-N 3.24Å; L179-R182 VanDerWaalsContact O-N 3.11Å; I180-R182 PolarHBondContact O-N 3.3Å
183G97.4Very high97.6Very high44 Ų4445.4 Ų45.445%0.45424%0.235SC..THydrogen-bonded Turntrans85.216.8176.200000114.3R163 L179 I180 R181R163-G183 WeakPolarHBondContact CG-O 3.33Å; L179-G183 PolarHBondContact O-N 3.09Å; I180-G183 WeakPolarHBondContact O-CA 3.49Å; I180-G183 PolarHBondContact O-N 3.09Å; R181-G183 PolarHBondContact O-N 3.23Å
184I98.2Very high97.4Very high3 Ų342.4 Ų42.42%0.01522%0.219CC..  trans-79.4124.7170.8-53.7-66.6000108.4W132 F159 R163 N168 L179 V187W132-I184 HydrophobicContact CZ2-CD1 4.23Å; F159-I184 HydrophobicContact CD1-CD1 4.44Å; F159-I184 HydrophobicContact CD1-CG1 4.34Å; R163-I184 HydrophobicContact CG-CD1 3.83Å; N168-I184 HydrophobicContact CB-CG2 4.18Å; N168-I184 VanDerWaalsContact CG-CG2 3.49Å; N168-I184 VanDerWaalsContact ND2-CG2 3.3Å; N168-I184 WeakPolarHBondContact ND2-CG2 2.94Å; L179-I184 HydrophobicContact CB-CB 4.07Å; L179-I184 HydrophobicContact CB-CG1 4.32Å; L179-I184 HydrophobicContact CD2-CB 4.46Å; L179-I184 HydrophobicContact CD2-CG1 3.96Å; L179-I184 WeakPolarHBondContact O-CB 3.41Å; L179-I184 PolarHBondContact O-N 3.39Å; I184-V187 HydrophobicContact CB-CG2 4.18Å; I184-V187 HydrophobicContact CG2-CG2 3.73Å
185G96.2Very high97.1Very high44 Ų4442.5 Ų42.545%0.45422%0.215SC..  trans-91165.1-179.900000113.3N168 V187N168-G185 PolarHBondContact ND2-O 3.29Å; G185-V187 VanDerWaalsContact C-N 3.33Å; G185-V187 PolarHBondContact O-N 2.67Å
186R96.6Very high96.7Very high123 Ų12346.6 Ų46.646%0.46424%0.237SC..SBendtrans49.251.1172.2-64.2173.3175.9176.1-2113.1D166 N168 N440D166-R186 WeakPolarHBondContact O-CD 3.44Å; D166-R186 PolarHBondContact O-NH1 2.83Å; N168-R186 PolarHBondContact N-O 2.94Å; R186-N440 PolarHBondContact NH2-OD1 3.33Å
187V98.4Very high96.3Very high7 Ų746.5 Ų46.54%0.04225%0.251CS..EExtended strand (participates in β ladder)trans-93.2120.4179.7-168.80000109.6N168 C170 R176 L179 I180 I184 G185N168-V187 HydrophobicContact CB-CB 4.42Å; N168-V187 HydrophobicContact CB-CG1 4.39Å; N168-V187 HydrophobicContact CB-CG2 4.08Å; N168-V187 WeakPolarHBondContact O-CA 3.36Å; C170-V187 HydrophobicContact CB-CG1 4.25Å; C170-V187 VanDerWaalsContact SG-CG1 3.5Å; R176-V187 HydrophobicContact CB-CG1 4.17Å; R176-V187 HydrophobicContact CG-CB 4.12Å; R176-V187 HydrophobicContact CG-CG1 3.88Å; R176-V187 PolarHBondContact NE-O 3.35Å; L179-V187 HydrophobicContact CB-CG1 4.36Å; L179-V187 HydrophobicContact CB-CG2 4.08Å; L179-V187 HydrophobicContact CD1-CG1 3.84Å; I180-V187 HydrophobicContact CG1-CB 4.31Å; I180-V187 HydrophobicContact CG1-CG2 4.09Å; I184-V187 HydrophobicContact CB-CG2 4.18Å; I184-V187 HydrophobicContact CG2-CG2 3.73Å; G185-V187 VanDerWaalsContact C-N 3.33Å; G185-V187 PolarHBondContact O-N 2.67Å
188T98.5Very high96.1Very high31 Ų3144.1 Ų44.119%0.1923%0.231CC..EExtended strand (participates in β ladder)trans-111.7126175.6-64.70000109.1N168 L169 C170 F190 I427 V431N168-T188 PolarHBondContact O-N 2.9Å; L169-T188 CarbonylContact C-O 3.58Å; L169-T188 WeakPolarHBondContact CA-O 3.39Å; L169-T188 HydrophobicContact CD2-CG2 4.46Å; C170-T188 PolarHBondContact N-O 3.41Å; T188-F190 PolarHBondContact O-N 2.68Å; T188-I427 HydrophobicContact CG2-CG2 3.55Å; T188-V431 HydrophobicContact CG2-CG2 4.11Å
189T98.5Very high96Very high14 Ų1446 Ų469%0.08625%0.247CC..EExtended strand (participates in β ladder)trans-71.5126.3171.4-49.60000109.1C170 T172 D173 R176 H191C170-T189 WeakPolarHBondContact O-CA 3.36Å; T172-T189 VanDerWaalsContact C-CG2 3.42Å; D173-T189 VanDerWaalsContact OD1-CB 3.24Å; D173-T189 WeakPolarHBondContact OD1-CB 3.37Å; D173-T189 WeakPolarHBondContact OD1-CG2 3.44Å; D173-T189 PolarHBondContact OD1-OG1 3.48Å; R176-T189 WeakPolarHBondContact CD-OG1 3.47Å; T189-H191 VanDerWaalsContact CG2-CE1 3.48Å; T189-H191 WeakPolarHBondContact CG2-CE1 3.39Å
190F98Very high95.9Very high1 Ų149.1 Ų49.10%0.00427%0.268CS..  trans-130.890.9166.3178.4-124.1000107R25 H29 C170 T188 W420 A423 W424 I427 V428R25-F190 VanDerWaalsContact CZ-O 3.3Å; R25-F190 PolarHBondContact NH1-O 2.86Å; R25-F190 PolarHBondContact NH2-O 3.4Å; H29-F190 AromaticContact CE1-CD1 3.88Å; H29-F190 AromaticContact CE1-CE1 3.75Å; H29-F190 AromaticContact NE2-CE1 3.96Å; C170-F190 CarbonylContact O-C 3.52Å; C170-F190 PolarHBondContact O-N 2.83Å; T188-F190 PolarHBondContact O-N 2.68Å; F190-W420 HydrophobicContact CD1-CH2 4.45Å; F190-W420 HydrophobicContact CE1-CD2 4.47Å; F190-W420 HydrophobicContact CE1-CE3 4.15Å; F190-W420 AromaticContact CE1-CH2 3.4Å; F190-W420 HydrophobicContact CE1-CH2 3.4Å; F190-W420 VanDerWaalsContact CE1-CH2 3.4Å; F190-W420 AromaticContact CE1-CZ2 3.73Å; F190-W420 HydrophobicContact CE1-CZ2 3.73Å; F190-W420 AromaticContact CE1-CZ3 3.62Å; F190-W420 HydrophobicContact CE1-CZ3 3.62Å; F190-W420 HydrophobicContact CZ-CD2 4.1Å; F190-W420 AromaticContact CZ-CE3 3.99Å; F190-W420 HydrophobicContact CZ-CE3 3.99Å; F190-W420 HydrophobicContact CZ-CH2 4.01Å; F190-W420 HydrophobicContact CZ-CZ2 4.09Å; F190-W420 AromaticContact CZ-CZ3 3.94Å; F190-W420 HydrophobicContact CZ-CZ3 3.94Å; F190-A423 HydrophobicContact CE2-CB 3.92Å; F190-W424 AromaticContact CE1-CD1 3.93Å; F190-W424 HydrophobicContact CE2-CB 4.31Å; F190-W424 HydrophobicContact CZ-CB 3.92Å; F190-W424 AromaticContact CZ-CD1 3.86Å; F190-W424 HydrophobicContact CZ-CG 4.29Å; F190-I427 HydrophobicContact CB-CG2 4.37Å; F190-I427 HydrophobicContact CD2-CB 4.32Å; F190-I427 HydrophobicContact CD2-CD1 4.36Å; F190-I427 HydrophobicContact CD2-CG2 4.36Å; F190-V428 HydrophobicContact CB-CG2 3.97Å; F190-V428 HydrophobicContact CD1-CG2 3.4Å; F190-V428 HydrophobicContact CD2-CG2 3.61Å; F190-V428 HydrophobicContact CE1-CG2 3.67Å; F190-V428 HydrophobicContact CE2-CG2 3.89Å; F190-V428 HydrophobicContact CG-CG2 3.36Å; F190-V428 HydrophobicContact CZ-CG2 3.92Å
191H96.8Very high95.8Very high28 Ų2847 Ų4713%0.1326%0.257CS..  trans-59.5147.8174.4-61.2103.7000110.7V171 D173 T189 R193 E370V171-H191 WeakPolarHBondContact O-CA 3.36Å; V171-H191 PolarHBondContact O-CD2 2.86Å; D173-H191 IonicContact OD2-CE1 2.79Å; D173-H191 IonicContact OD2-NE2 3.9Å; T189-H191 VanDerWaalsContact CG2-CE1 3.48Å; T189-H191 WeakPolarHBondContact CG2-CE1 3.39Å; H191-R193 VanDerWaalsContact CB-CZ 3.46Å; H191-R193 PolarHBondContact ND1-NH2 2.87Å; H191-E370 IonicContact CD2-OE2 3.16Å; H191-E370 IonicContact NE2-OE2 4Å; H191-E370 PolarHBondContact NE2-OE2 3.2Å
192D94.8Very high95.7Very high7 Ų741.8 Ų41.84%0.03725%0.249CC..  trans-60.7146169.8-71.4-49.4000111R25 M348 V351R25-D192 WeakPolarHBondContact CD-OD1 3.43Å; R25-D192 IonicContact CZ-OD1 3.46Å; R25-D192 IonicContact NE-OD1 3.32Å; R25-D192 IonicContact NH1-OD1 2.71Å; R25-D192 PolarHBondContact NH1-OD1 3.44Å; R25-D192 IonicContact NH1-OD2 3.38Å; D192-M348 WeakPolarHBondContact OD2-CG 3.35Å; D192-V351 HydrophobicContact CB-CG1 4.45Å; D192-V351 HydrophobicContact CB-CG2 4.04Å
193R95.2Very high95.7Very high53 Ų5340.7 Ų40.720%0.225%0.249CC..  trans-138.4146.7-177.7-66.9-57.2177.8-117.92.9109.8H191 F195 E418 W420 A423H191-R193 VanDerWaalsContact CB-CZ 3.46Å; H191-R193 PolarHBondContact ND1-NH2 2.87Å; R193-F195 PolarHBondContact O-N 3.49Å; R193-E418 WeakPolarHBondContact CB-O 3.49Å; R193-E418 WeakPolarHBondContact CD-O 3.19Å; R193-E418 WeakPolarHBondContact CG-O 3.49Å; R193-W420 HydrophobicContact CB-CB 4.27Å; R193-A423 HydrophobicContact CG-CB 3.83Å
194P94.3Very high95.7Very high5 Ų542.3 Ų42.33%0.03225%0.247CC..  trans-63.5139.8179.326.8-33.2000109.7F198 V351 L417 W420P194-F198 HydrophobicContact CB-CB 3.96Å; P194-V351 HydrophobicContact CB-CG1 4.47Å; P194-V351 VanDerWaalsContact N-CG1 3.33Å; P194-L417 HydrophobicContact CG-CB 4.14Å; P194-W420 PolarHBondContact O-N 3.23Å
195F91.6Very high95.7Very high26 Ų2642.9 Ų42.911%0.11425%0.254CS..  trans-76.3159.4168.6-151.4-109000110Y28 L31 R193 A197 F198 W420Y28-F195 AromaticContact CD1-CD2 3.56Å; Y28-F195 HydrophobicContact CD1-CD2 3.56Å; Y28-F195 AromaticContact CD1-CE2 3.68Å; Y28-F195 HydrophobicContact CD1-CE2 3.68Å; Y28-F195 HydrophobicContact CD1-CG 4.06Å; Y28-F195 HydrophobicContact CD1-CZ 4.26Å; Y28-F195 AromaticContact CD2-CD2 3.98Å; Y28-F195 HydrophobicContact CD2-CD2 3.98Å; Y28-F195 HydrophobicContact CE1-CB 4.08Å; Y28-F195 HydrophobicContact CE1-CD1 4.08Å; Y28-F195 AromaticContact CE1-CD2 3.67Å; Y28-F195 HydrophobicContact CE1-CD2 3.67Å; Y28-F195 HydrophobicContact CE1-CE1 4.49Å; Y28-F195 HydrophobicContact CE1-CE2 4.13Å; Y28-F195 AromaticContact CE1-CG 3.66Å; Y28-F195 HydrophobicContact CE1-CG 3.66Å; Y28-F195 HydrophobicContact CE2-CB 3.97Å; Y28-F195 HydrophobicContact CE2-CD2 4.08Å; Y28-F195 HydrophobicContact CE2-CG 4.25Å; Y28-F195 AromaticContact CG-CD2 3.74Å; Y28-F195 HydrophobicContact CG-CD2 3.74Å; Y28-F195 AromaticContact CG-CE2 4Å; Y28-F195 HydrophobicContact CG-CE2 4Å; Y28-F195 AromaticContact CZ-CD2 3.93Å; Y28-F195 AromaticContact CZ-CG 3.77Å; L31-F195 HydrophobicContact CD2-CE1 4.43Å; L31-F195 HydrophobicContact CD2-CZ 3.72Å; R193-F195 PolarHBondContact O-N 3.49Å; F195-A197 PolarHBondContact O-N 3.04Å; F195-F198 HydrophobicContact CB-CD2 4.09Å; F195-F198 HydrophobicContact CB-CE2 4.36Å; F195-F198 PolarHBondContact O-N 3.36Å; F195-W420 HydrophobicContact CD2-CB 3.95Å; F195-W420 HydrophobicContact CD2-CG 4.07Å; F195-W420 HydrophobicContact CE2-CG 4.38Å
196D89.2Confident95.7Very high87 Ų8741.9 Ų41.947%0.46524%0.237SC..THydrogen-bonded Turntrans-60.2-19-170.8-62-27.3000114.2F198 N421D196-F198 VanDerWaalsContact C-N 3.32Å; D196-N421 PolarHBondContact OD2-ND2 2.87Å
197A90.3Very high95.8Very high67 Ų6737.1 Ų37.155%0.55422%0.22SC*.THydrogen-bonded Turntrans-72.2-22.7174.900000113.7F195 A199 P325F195-A197 PolarHBondContact O-N 3.04Å; A197-A199 PolarHBondContact O-N 3.19Å; A197-P325 HydrophobicContact CB-CG 4.39Å; A197-P325 VanDerWaalsContact O-CB 3.28Å; A197-P325 WeakPolarHBondContact O-CB 3.38Å
198F94.7Very high95.7Very high23 Ų2342 Ų4210%0.10125%0.246CC..  trans-8789.9176.5-64.1-83.6000108.9P194 F195 D196 Y324 P325 L328 D352 G355P194-F198 HydrophobicContact CB-CB 3.96Å; F195-F198 HydrophobicContact CB-CD2 4.09Å; F195-F198 HydrophobicContact CB-CE2 4.36Å; F195-F198 PolarHBondContact O-N 3.36Å; D196-F198 VanDerWaalsContact C-N 3.32Å; F198-Y324 AromaticContact CE1-CD1 3.74Å; F198-Y324 HydrophobicContact CE1-CD1 3.74Å; F198-Y324 AromaticContact CE1-CE1 3.75Å; F198-Y324 HydrophobicContact CE1-CE1 3.75Å; F198-Y324 HydrophobicContact CZ-CD1 4.13Å; F198-Y324 HydrophobicContact CZ-CE1 4.23Å; F198-P325 HydrophobicContact CD1-CB 3.98Å; F198-P325 HydrophobicContact CD1-CG 4Å; F198-P325 HydrophobicContact CE1-CB 4.2Å; F198-P325 HydrophobicContact CE1-CG 3.77Å; F198-P325 HydrophobicContact CZ-CG 4.13Å; F198-L328 HydrophobicContact CD1-CD1 3.73Å; F198-L328 HydrophobicContact CE1-CD1 3.72Å; F198-D352 HydrophobicContact CD1-CB 3.61Å; F198-D352 HydrophobicContact CE1-CB 3.52Å; F198-D352 HydrophobicContact CG-CB 4.24Å; F198-D352 HydrophobicContact CZ-CB 4.09Å; F198-G355 CarbonylContact C-O 3.44Å; F198-G355 CarbonylContact O-C 3.56Å; F198-G355 VanDerWaalsContact O-C 3.26Å; F198-G355 VanDerWaalsContact O-O 3.04Å
199A95.5Very high95.6Very high47 Ų4740.9 Ų40.939%0.38824%0.239SC..  trans-140.8154-177.500000110.8A197 G355A197-A199 PolarHBondContact O-N 3.19Å; A199-G355 WeakPolarHBondContact CA-O 3.41Å
200P96.2Very high95.5Very high66 Ų6640.4 Ų40.443%0.42924%0.235SC..  trans-59.7145.4173.6-22.734.8000111.9G355 M413P200-G355 WeakPolarHBondContact CD-O 3.42Å; P200-M413 HydrophobicContact CB-CE 4.15Å; P200-M413 HydrophobicContact CB-SD 4.11Å; P200-M413 HydrophobicContact CG-CE 3.75Å; P200-M413 HydrophobicContact CG-SD 3.47Å; P200-M413 WeakPolarHBondContact CG-SD 3.49Å
201L96.5Very high95.4Very high45 Ų4541.4 Ų41.424%0.23624%0.242CC..  trans-107.9139.8-177.6-167.163000111.2G205 Q206 L326 A329L201-G205 WeakPolarHBondContact CD2-O 3.29Å; L201-Q206 HydrophobicContact CB-CG 4.07Å; L201-Q206 HydrophobicContact CD2-CG 4.11Å; L201-Q206 HydrophobicContact CG-CG 4.2Å; L201-Q206 PolarHBondContact O-NE2 3.02Å; L201-L326 HydrophobicContact CD1-CD2 4.26Å; L201-L326 HydrophobicContact CD2-CD2 4.1Å; L201-A329 HydrophobicContact CB-CB 3.59Å
202S96.8Very high95.3Very high76 Ų7643 Ų4353%0.53125%0.251SS..  trans-62.8160.1174.369.90000111.4N204 G205 Q206S202-N204 PolarHBondContact O-N 3.12Å; S202-G205 PolarHBondContact O-N 2.86Å; S202-G205 VanDerWaalsContact O-N 3.12Å; S202-G205 PolarHBondContact OG-N 3.48Å; S202-Q206 WeakPolarHBondContact O-CG 3.45Å; S202-Q206 PolarHBondContact O-N 3.16Å
203I97.3Very high95.3Very high57 Ų5742.7 Ų42.729%0.29225%0.249SC..Hα-helixtrans-60.6-34.6179.5-169.557.2000112.7Q206 H207 T230 C238 K240I203-Q206 PolarHBondContact O-N 2.89Å; I203-H207 WeakPolarHBondContact O-CB 3Å; I203-H207 PolarHBondContact O-N 2.95Å; I203-T230 HydrophobicContact CD1-CG2 4.15Å; I203-C238 HydrophobicContact CG1-CB 4.26Å; I203-C238 WeakPolarHBondContact CG1-O 3.44Å; I203-C238 HydrophobicContact CG2-CB 4.5Å; I203-C238 WeakPolarHBondContact CG2-O 3.13Å; I203-K240 HydrophobicContact CD1-CD 4.48Å; I203-K240 HydrophobicContact CD1-CG 3.59Å
204N96.8Very high95.3Very high78 Ų7840.2 Ų40.242%0.41724%0.24SC..Hα-helixtrans-67.1-44.8175-64.5-5.2000110.9S202 Q206 H207 D208 C238S202-N204 PolarHBondContact O-N 3.12Å; N204-Q206 VanDerWaalsContact C-N 3.31Å; N204-Q206 PolarHBondContact O-N 3.4Å; N204-H207 WeakPolarHBondContact O-CB 3.18Å; N204-H207 PolarHBondContact O-N 2.97Å; N204-H207 VanDerWaalsContact O-N 3.13Å; N204-D208 PolarHBondContact O-N 2.81Å; N204-C238 VanDerWaalsContact OD1-CB 3.31Å; N204-C238 WeakPolarHBondContact OD1-CB 3.41Å
205G96.8Very high95.3Very high16 Ų1646.4 Ų46.417%0.16527%0.267CS..Hα-helixtrans-63.4-37.7175.500000112.6L201 S202 F209L201-G205 WeakPolarHBondContact CD2-O 3.29Å; S202-G205 PolarHBondContact O-N 2.86Å; S202-G205 VanDerWaalsContact O-N 3.12Å; S202-G205 PolarHBondContact OG-N 3.48Å; G205-F209 WeakPolarHBondContact O-CB 3.37Å; G205-F209 PolarHBondContact O-N 3.05Å; G205-F209 VanDerWaalsContact O-N 3.08Å
206Q97.9Very high95.4Very high22 Ų2250.8 Ų50.810%0.10328%0.282CS..Hα-helixtrans-62.3-44.6172.4-69.8178.13900110.6L201 S202 I203 N204 F209 L210L201-Q206 HydrophobicContact CB-CG 4.07Å; L201-Q206 HydrophobicContact CD2-CG 4.11Å; L201-Q206 HydrophobicContact CG-CG 4.2Å; L201-Q206 PolarHBondContact O-NE2 3.02Å; S202-Q206 WeakPolarHBondContact O-CG 3.45Å; S202-Q206 PolarHBondContact O-N 3.16Å; I203-Q206 PolarHBondContact O-N 2.89Å; N204-Q206 VanDerWaalsContact C-N 3.31Å; N204-Q206 PolarHBondContact O-N 3.4Å; Q206-F209 PolarHBondContact O-N 3.01Å; Q206-L210 HydrophobicContact CB-CD1 4.29Å; Q206-L210 WeakPolarHBondContact O-CB 3.36Å; Q206-L210 WeakPolarHBondContact O-CD1 3.48Å; Q206-L210 WeakPolarHBondContact O-CG 3.24Å; Q206-L210 PolarHBondContact O-N 2.97Å
207H97.2Very high95.7Very high23 Ų2348.7 Ų48.711%0.10627%0.268CS..Hα-helixtrans-59.4-49.8176.9-179.467000112I203 N204 F209 L210 T211 T230 C238I203-H207 WeakPolarHBondContact O-CB 3Å; I203-H207 PolarHBondContact O-N 2.95Å; N204-H207 WeakPolarHBondContact O-CB 3.18Å; N204-H207 PolarHBondContact O-N 2.97Å; N204-H207 VanDerWaalsContact O-N 3.13Å; H207-F209 VanDerWaalsContact C-N 3.34Å; H207-F209 PolarHBondContact O-N 2.86Å; H207-L210 PolarHBondContact O-N 3.32Å; H207-T211 PolarHBondContact CE1-OG1 3.02Å; H207-T211 VanDerWaalsContact O-CB 3.26Å; H207-T211 WeakPolarHBondContact O-CB 3.25Å; H207-T211 PolarHBondContact O-N 3Å; H207-T211 PolarHBondContact O-OG1 2.98Å; H207-T230 WeakPolarHBondContact CA-OG1 3.37Å; H207-T230 PolarHBondContact ND1-OG1 2.81Å; H207-C238 HydrophobicContact CB-CB 3.8Å; H207-C238 PolarHBondContact CD2-SG 3.21Å; H207-C238 VanDerWaalsContact CG-SG 3.56Å
208D96.1Very high95.9Very high109 Ų10948.1 Ų48.158%0.58326%0.263SS*.Hα-helixtrans-56.7-47.7178.8-68.9-22.4000111.8N204 L212N204-D208 PolarHBondContact O-N 2.81Å; D208-L212 WeakPolarHBondContact O-CB 3.5Å; D208-L212 PolarHBondContact O-N 3.32Å
209F97Very high95.9Very high9 Ų950.1 Ų50.14%0.03927%0.273CS..Hα-helixtrans-67.3-45.2179.8-177.7-100.3000112.3G205 Q206 H207 T211 L212 M213 E323 L326 L327 C330G205-F209 WeakPolarHBondContact O-CB 3.37Å; G205-F209 PolarHBondContact O-N 3.05Å; G205-F209 VanDerWaalsContact O-N 3.08Å; Q206-F209 PolarHBondContact O-N 3.01Å; H207-F209 VanDerWaalsContact C-N 3.34Å; H207-F209 PolarHBondContact O-N 2.86Å; F209-T211 VanDerWaalsContact C-N 3.33Å; F209-T211 PolarHBondContact O-N 3.42Å; F209-L212 WeakPolarHBondContact O-CB 3.49Å; F209-L212 PolarHBondContact O-N 2.68Å; F209-L212 VanDerWaalsContact O-N 3.17Å; F209-M213 HydrophobicContact CD1-CG 4.09Å; F209-M213 HydrophobicContact CD2-CE 4.32Å; F209-M213 HydrophobicContact CE1-CG 3.64Å; F209-M213 HydrophobicContact CE1-SD 4.27Å; F209-M213 HydrophobicContact CE2-CE 3.75Å; F209-M213 HydrophobicContact CE2-CG 4.45Å; F209-M213 HydrophobicContact CE2-SD 4.34Å; F209-M213 HydrophobicContact CZ-CE 3.9Å; F209-M213 HydrophobicContact CZ-CG 3.85Å; F209-M213 HydrophobicContact CZ-SD 3.87Å; F209-M213 WeakPolarHBondContact O-CG 3.09Å; F209-M213 PolarHBondContact O-N 2.93Å; F209-E323 HydrophobicContact CE2-CB 4.14Å; F209-L326 HydrophobicContact CD1-CB 4.33Å; F209-L326 HydrophobicContact CD2-CB 3.59Å; F209-L326 HydrophobicContact CD2-CD1 3.7Å; F209-L326 HydrophobicContact CD2-CG 4.31Å; F209-L326 HydrophobicContact CE1-CB 4.43Å; F209-L326 HydrophobicContact CE2-CB 3.7Å; F209-L326 HydrophobicContact CE2-CD1 4.09Å; F209-L326 HydrophobicContact CG-CB 3.91Å; F209-L326 HydrophobicContact CZ-CB 4.13Å; F209-L327 HydrophobicContact CE1-CB 3.88Å; F209-L327 HydrophobicContact CE1-CD1 4.09Å; F209-L327 HydrophobicContact CZ-CB 3.91Å; F209-C330 HydrophobicContact CD1-CB 4.44Å
210L97.3Very high96Very high3 Ų347.9 Ų47.92%0.01626%0.255CS..Hα-helixtrans-68.2-33.3-179.1-68.7165.6000111.8Q206 H207 M213 A214 F220 S227 F229 T230 I247 C330Q206-L210 HydrophobicContact CB-CD1 4.29Å; Q206-L210 WeakPolarHBondContact O-CB 3.36Å; Q206-L210 WeakPolarHBondContact O-CD1 3.48Å; Q206-L210 WeakPolarHBondContact O-CG 3.24Å; Q206-L210 PolarHBondContact O-N 2.97Å; H207-L210 PolarHBondContact O-N 3.32Å; L210-M213 PolarHBondContact O-N 3.16Å; L210-A214 WeakPolarHBondContact O-CB 3.43Å; L210-A214 PolarHBondContact O-N 3.39Å; L210-F220 HydrophobicContact CD2-CD1 4.04Å; L210-F220 HydrophobicContact CD2-CE1 3.93Å; L210-S227 WeakPolarHBondContact CB-OG 3.33Å; L210-F229 HydrophobicContact CD1-CB 3.84Å; L210-F229 HydrophobicContact CD2-CD2 4Å; L210-F229 HydrophobicContact CD2-CG 4.44Å; L210-T230 HydrophobicContact CD1-CG2 3.91Å; L210-I247 HydrophobicContact CD2-CD1 4.01Å; L210-C330 HydrophobicContact CD1-CB 4.38Å; L210-C330 HydrophobicContact CD2-CB 4.06Å; L210-C330 HydrophobicContact CG-CB 4.25Å
211T95.6Very high95.9Very high23 Ų2349 Ų4914%0.14125%0.25CS..Hα-helixtrans-68.6-37.2171.4-64.10000111.3H207 F209 A214 K215H207-T211 PolarHBondContact CE1-OG1 3.02Å; H207-T211 VanDerWaalsContact O-CB 3.26Å; H207-T211 WeakPolarHBondContact O-CB 3.25Å; H207-T211 PolarHBondContact O-N 3Å; H207-T211 PolarHBondContact O-OG1 2.98Å; F209-T211 VanDerWaalsContact C-N 3.33Å; F209-T211 PolarHBondContact O-N 3.42Å; T211-A214 WeakPolarHBondContact O-CB 3.32Å; T211-A214 PolarHBondContact O-N 3.07Å; T211-K215 PolarHBondContact O-N 2.69Å
212L94.7Very high95.5Very high62 Ų6251 Ų5133%0.32526%0.26SS..Hα-helixtrans-63.8-41.3171179.863.5000111.8D208 F209 K215D208-L212 WeakPolarHBondContact O-CB 3.5Å; D208-L212 PolarHBondContact O-N 3.32Å; F209-L212 WeakPolarHBondContact O-CB 3.49Å; F209-L212 PolarHBondContact O-N 2.68Å; F209-L212 VanDerWaalsContact O-N 3.17Å; L212-K215 PolarHBondContact O-N 3.47Å
213M95.5Very high95Very high0 Ų050.5 Ų50.50%025%0.252CS..Hα-helixtrans-66.7-37.4175.9-67.1-53.1100.600112.1F209 L210 K215 R216 Y217 F220 M317 L319F209-M213 HydrophobicContact CD1-CG 4.09Å; F209-M213 HydrophobicContact CD2-CE 4.32Å; F209-M213 HydrophobicContact CE1-CG 3.64Å; F209-M213 HydrophobicContact CE1-SD 4.27Å; F209-M213 HydrophobicContact CE2-CE 3.75Å; F209-M213 HydrophobicContact CE2-CG 4.45Å; F209-M213 HydrophobicContact CE2-SD 4.34Å; F209-M213 HydrophobicContact CZ-CE 3.9Å; F209-M213 HydrophobicContact CZ-CG 3.85Å; F209-M213 HydrophobicContact CZ-SD 3.87Å; F209-M213 WeakPolarHBondContact O-CG 3.09Å; F209-M213 PolarHBondContact O-N 2.93Å; L210-M213 PolarHBondContact O-N 3.16Å; M213-K215 PolarHBondContact O-N 3.26Å; M213-R216 CarbonylContact O-C 3.55Å; M213-R216 WeakPolarHBondContact O-CA 3.25Å; M213-R216 PolarHBondContact O-N 3.05Å; M213-Y217 HydrophobicContact CB-CD2 4.49Å; M213-Y217 PolarHBondContact O-N 3.46Å; M213-Y217 HydrophobicContact SD-CD2 4.15Å; M213-Y217 HydrophobicContact SD-CE2 3.96Å; M213-F220 HydrophobicContact CB-CB 4.24Å; M213-F220 HydrophobicContact CB-CD1 3.59Å; M213-F220 HydrophobicContact CB-CD2 4.44Å; M213-F220 HydrophobicContact CB-CE1 4Å; M213-F220 HydrophobicContact CB-CG 3.84Å; M213-F220 HydrophobicContact CG-CD1 4.39Å; M213-F220 HydrophobicContact CG-CE1 4.32Å; M213-M317 HydrophobicContact CG-CE 4.2Å; M213-M317 HydrophobicContact SD-CE 3.44Å; M213-M317 WeakPolarHBondContact SD-CE 3.49Å; M213-L319 HydrophobicContact SD-CD2 4.2Å
214A95.1Very high94Very high0 Ų054.6 Ų54.60%027%0.269CS..Hα-helixtrans-56.1-36.8175.300000112.8L210 T211 R216 F220 R221L210-A214 WeakPolarHBondContact O-CB 3.43Å; L210-A214 PolarHBondContact O-N 3.39Å; T211-A214 WeakPolarHBondContact O-CB 3.32Å; T211-A214 PolarHBondContact O-N 3.07Å; A214-R216 VanDerWaalsContact C-N 3.28Å; A214-R216 PolarHBondContact O-N 3.12Å; A214-F220 HydrophobicContact CB-CB 4.36Å; A214-R221 HydrophobicContact CB-CB 3.62Å; A214-R221 WeakPolarHBondContact O-CD 3.11Å; A214-R221 PolarHBondContact O-NH1 2.92Å
215K94.1Very high93.1Very high136 Ų13657.5 Ų57.559%0.59128%0.28SS*.Hα-helixtrans-67.8-25.8174.5-65.3174.2-176.1176.20113.4T211 L212 M213T211-K215 PolarHBondContact O-N 2.69Å; L212-K215 PolarHBondContact O-N 3.47Å; M213-K215 PolarHBondContact O-N 3.26Å
216R93.5Very high92.7Very high118 Ų11861.1 Ų61.145%0.44529%0.293SS..Hα-helixtrans-99.6-33-174.6-63.8178.4-175.2178.14.4113.1M213 A214 E323M213-R216 CarbonylContact O-C 3.55Å; M213-R216 WeakPolarHBondContact O-CA 3.25Å; M213-R216 PolarHBondContact O-N 3.05Å; A214-R216 VanDerWaalsContact C-N 3.28Å; A214-R216 PolarHBondContact O-N 3.12Å; R216-E323 IonicContact CZ-OE1 3.77Å; R216-E323 VanDerWaalsContact CZ-OE1 3.3Å; R216-E323 IonicContact NH1-OE1 3.59Å; R216-E323 PolarHBondContact NH1-OE1 3.36Å; R216-E323 IonicContact NH1-OE2 3.72Å; R216-E323 PolarHBondContact NH1-OE2 3.26Å; R216-E323 IonicContact NH2-OE1 3.44Å; R216-E323 PolarHBondContact NH2-OE1 3.23Å
217Y94.6Very high92.5Very high43 Ų4360.1 Ų60.117%0.16929%0.288CS..  trans-130.1128.4-171.2-60.5-81.8000110.2M213 E219 F220 V315 M317 W318M213-Y217 HydrophobicContact CB-CD2 4.49Å; M213-Y217 PolarHBondContact O-N 3.46Å; M213-Y217 HydrophobicContact SD-CD2 4.15Å; M213-Y217 HydrophobicContact SD-CE2 3.96Å; Y217-E219 PolarHBondContact O-N 3.49Å; Y217-F220 HydrophobicContact CG-CD2 4.37Å; Y217-F220 PolarHBondContact O-N 2.77Å; Y217-V315 HydrophobicContact CD1-CG2 3.83Å; Y217-V315 HydrophobicContact CE1-CG2 4.44Å; Y217-V315 HydrophobicContact CG-CG2 4.47Å; Y217-M317 HydrophobicContact CD1-CG 4.23Å; Y217-M317 HydrophobicContact CD2-CE 4.1Å; Y217-M317 HydrophobicContact CD2-CG 4.49Å; Y217-M317 HydrophobicContact CE1-CB 4.4Å; Y217-M317 HydrophobicContact CE1-CG 3.77Å; Y217-M317 HydrophobicContact CE2-CE 3.69Å; Y217-M317 HydrophobicContact CE2-CG 4.08Å; Y217-M317 HydrophobicContact CE2-SD 4.39Å; Y217-W318 PolarHBondContact OH-N 2.94Å; Y217-W318 PolarHBondContact OH-O 2.88Å
218A94.6Very high92.5Very high55 Ų5562.7 Ų62.746%0.45530%0.297SS..G310 helixtrans-67.4-29.2-176.100000112.7F220 R221A218-F220 PolarHBondContact O-N 2.81Å; A218-R221 VanDerWaalsContact CA-CZ 3.46Å; A218-R221 VanDerWaalsContact CA-NH1 3.33Å; A218-R221 WeakPolarHBondContact O-CG 3.29Å; A218-R221 PolarHBondContact O-N 3.47Å
219E95.2Very high92.5Very high65 Ų6557.6 Ų57.630%0.30427%0.27SS..G310 helixtrans-68.7-20.3-178.7-5784.5170.400112.5Y217 L286 V315Y217-E219 PolarHBondContact O-N 3.49Å; E219-L286 HydrophobicContact CB-CD1 3.68Å; E219-L286 HydrophobicContact CB-CD2 4.42Å; E219-L286 HydrophobicContact CG-CD1 4.32Å; E219-V315 HydrophobicContact CB-CB 4.43Å; E219-V315 HydrophobicContact CG-CB 4.11Å; E219-V315 HydrophobicContact CG-CG2 4.41Å
220F96.4Very high92.5Very high0 Ų057.3 Ų57.30%027%0.269CS..G310 helixtrans-91.7-6.6-179.1-81.1-101.7000114.3L210 M213 A214 Y217 A218 R228 F229 L286 V288 V315 M317L210-F220 HydrophobicContact CD2-CD1 4.04Å; L210-F220 HydrophobicContact CD2-CE1 3.93Å; M213-F220 HydrophobicContact CB-CB 4.24Å; M213-F220 HydrophobicContact CB-CD1 3.59Å; M213-F220 HydrophobicContact CB-CD2 4.44Å; M213-F220 HydrophobicContact CB-CE1 4Å; M213-F220 HydrophobicContact CB-CG 3.84Å; M213-F220 HydrophobicContact CG-CD1 4.39Å; M213-F220 HydrophobicContact CG-CE1 4.32Å; A214-F220 HydrophobicContact CB-CB 4.36Å; Y217-F220 HydrophobicContact CG-CD2 4.37Å; Y217-F220 PolarHBondContact O-N 2.77Å; A218-F220 PolarHBondContact O-N 2.81Å; F220-R228 WeakPolarHBondContact O-CB 3.05Å; F220-R228 PolarHBondContact O-N 2.78Å; F220-F229 HydrophobicContact CB-CE2 4.36Å; F220-F229 HydrophobicContact CD1-CD2 4.07Å; F220-F229 AromaticContact CD1-CE2 3.55Å; F220-F229 HydrophobicContact CD1-CE2 3.55Å; F220-F229 HydrophobicContact CE1-CE2 4.05Å; F220-F229 HydrophobicContact CG-CE2 4.07Å; F220-L286 HydrophobicContact CD2-CD2 3.99Å; F220-L286 HydrophobicContact CE1-CD2 4.32Å; F220-L286 HydrophobicContact CE2-CD2 3.74Å; F220-L286 HydrophobicContact CG-CD2 4.41Å; F220-L286 HydrophobicContact CZ-CD2 3.91Å; F220-V288 HydrophobicContact CE2-CG2 4.29Å; F220-V288 HydrophobicContact CZ-CG2 3.88Å; F220-V315 HydrophobicContact CE2-CG1 3.99Å; F220-M317 HydrophobicContact CE2-CE 4.4Å; F220-M317 HydrophobicContact CE2-SD 3.55Å; F220-M317 VanDerWaalsContact CE2-SD 3.55Å; F220-M317 HydrophobicContact CZ-CE 4.26Å; F220-M317 HydrophobicContact CZ-SD 3.62Å
221R94.4Very high92.5Very high89 Ų8961 Ų6134%0.33629%0.285SS..BIsolated β-bridgetrans-119.7147.7-16983.9175.3160.4-105.21.5112.8A214 A218 D223 E226A214-R221 HydrophobicContact CB-CB 3.62Å; A214-R221 WeakPolarHBondContact O-CD 3.11Å; A214-R221 PolarHBondContact O-NH1 2.92Å; A218-R221 VanDerWaalsContact CA-CZ 3.46Å; A218-R221 VanDerWaalsContact CA-NH1 3.33Å; A218-R221 WeakPolarHBondContact O-CG 3.29Å; A218-R221 PolarHBondContact O-N 3.47Å; R221-D223 WeakPolarHBondContact CB-O 3.18Å; R221-D223 VanDerWaalsContact CD-O 3.29Å; R221-D223 WeakPolarHBondContact CD-O 3.15Å; R221-D223 WeakPolarHBondContact CG-O 3.29Å; R221-E226 WeakPolarHBondContact CA-O 3.45Å
222I89.8Confident92.4Very high86 Ų8665.6 Ų65.644%0.44131%0.305SS..SBendtrans-88.1-47164.4-68.3166.4000108.4E226 R228I222-E226 HydrophobicContact CB-CB 4.48Å; I222-E226 PolarHBondContact N-O 2.96Å; I222-R228 HydrophobicContact CG1-CB 4.22Å; I222-R228 HydrophobicContact CG1-CG 4.26Å
223D85.6Confident92.4Very high67 Ų6766.4 Ų66.436%0.35831%0.307SS..SBendtrans-135.4-177.3170.96539.7000110.3R221 H225 E226R221-D223 WeakPolarHBondContact CB-O 3.18Å; R221-D223 VanDerWaalsContact CD-O 3.29Å; R221-D223 WeakPolarHBondContact CD-O 3.15Å; R221-D223 WeakPolarHBondContact CG-O 3.29Å; D223-H225 PolarHBondContact O-N 3.42Å; D223-H225 WeakPolarHBondContact OD1-CA 3.48Å; D223-H225 PolarHBondContact OD1-N 2.86Å; D223-E226 WeakPolarHBondContact OD1-CB 3.26Å; D223-E226 PolarHBondContact OD1-N 3.04Å
224E76.3Confident92.2Very high142 Ų14276.6 Ų76.666%0.66435%0.354SS*.SBendtrans-61.9-13.8-176.2-68.1-171.7169.300115.3
225H78.4Confident92Very high140 Ų14082 Ų8265%0.64838%0.383SS*.SBendtrans-123.8-13.4-173.5-59-29.7000113.5D223D223-H225 PolarHBondContact O-N 3.42Å; D223-H225 WeakPolarHBondContact OD1-CA 3.48Å; D223-H225 PolarHBondContact OD1-N 2.86Å
226E88.4Confident91.9Very high91 Ų9177.1 Ų77.143%0.42537%0.372SS..  trans-110.2128.3-176.8-67.9-167-167.400113.4R221 I222 D223 R241R221-E226 WeakPolarHBondContact CA-O 3.45Å; I222-E226 HydrophobicContact CB-CB 4.48Å; I222-E226 PolarHBondContact N-O 2.96Å; D223-E226 WeakPolarHBondContact OD1-CB 3.26Å; D223-E226 PolarHBondContact OD1-N 3.04Å; E226-R241 IonicContact OE2-NH1 3.8Å
227S93.7Very high91.9Very high1 Ų174.3 Ų74.31%0.00737%0.368CS..BIsolated β-bridgetrans-67.7138.7169.9179.90000111.5L210 F229L210-S227 WeakPolarHBondContact CB-OG 3.33Å; S227-F229 PolarHBondContact O-N 2.94Å; S227-F229 PolarHBondContact OG-N 3.42Å; S227-F229 VanDerWaalsContact OG-N 3.16Å
228R96.1Very high92Very high78 Ų7872.8 Ų72.829%0.29436%0.363SS..SBendtrans-68.4-8.9171-166.7176.1180-165.60.5113.7F220 I222 R241 R244 P245F220-R228 WeakPolarHBondContact O-CB 3.05Å; F220-R228 PolarHBondContact O-N 2.78Å; I222-R228 HydrophobicContact CG1-CB 4.22Å; I222-R228 HydrophobicContact CG1-CG 4.26Å; R228-R241 WeakPolarHBondContact O-CD 3.41Å; R228-R244 WeakPolarHBondContact O-CB 3.37Å; R228-P245 HydrophobicContact CG-CG 4.38Å
229F97.4Very high92.1Very high2 Ų272.1 Ų72.11%0.00935%0.353CS..SBendtrans-116.7-33-168.4-62-76.2000114.1L210 F220 S227 K240 R241 R244 P245 I247 L286L210-F229 HydrophobicContact CD1-CB 3.84Å; L210-F229 HydrophobicContact CD2-CD2 4Å; L210-F229 HydrophobicContact CD2-CG 4.44Å; F220-F229 HydrophobicContact CB-CE2 4.36Å; F220-F229 HydrophobicContact CD1-CD2 4.07Å; F220-F229 AromaticContact CD1-CE2 3.55Å; F220-F229 HydrophobicContact CD1-CE2 3.55Å; F220-F229 HydrophobicContact CE1-CE2 4.05Å; F220-F229 HydrophobicContact CG-CE2 4.07Å; S227-F229 PolarHBondContact O-N 2.94Å; S227-F229 PolarHBondContact OG-N 3.42Å; S227-F229 VanDerWaalsContact OG-N 3.16Å; F229-K240 WeakPolarHBondContact O-CA 3.04Å; F229-R241 PolarHBondContact O-N 3Å; F229-R244 HydrophobicContact CD1-CB 4.18Å; F229-R244 WeakPolarHBondContact O-CD 3.26Å; F229-P245 HydrophobicContact CD1-CG 4.47Å; F229-P245 HydrophobicContact CE1-CG 3.62Å; F229-P245 HydrophobicContact CZ-CG 4.03Å; F229-I247 HydrophobicContact CD1-CD1 3.71Å; F229-I247 HydrophobicContact CD1-CG1 3.78Å; F229-I247 HydrophobicContact CD2-CD1 4.2Å; F229-I247 HydrophobicContact CE1-CD1 3.6Å; F229-I247 HydrophobicContact CE1-CG1 3.24Å; F229-I247 HydrophobicContact CE2-CD1 4.09Å; F229-I247 HydrophobicContact CE2-CG1 4.4Å; F229-I247 HydrophobicContact CG-CD1 4.02Å; F229-I247 HydrophobicContact CZ-CD1 3.82Å; F229-I247 HydrophobicContact CZ-CG1 3.63Å; F229-L286 HydrophobicContact CE2-CD2 4.03Å; F229-L286 HydrophobicContact CZ-CB 4.3Å; F229-L286 HydrophobicContact CZ-CD2 3.52Å
230T96.8Very high92.1Very high2 Ų272.1 Ų72.11%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-138.7159-175.356.30000110.5I203 H207 L210 V239 K240I203-T230 HydrophobicContact CD1-CG2 4.15Å; H207-T230 WeakPolarHBondContact CA-OG1 3.37Å; H207-T230 PolarHBondContact ND1-OG1 2.81Å; L210-T230 HydrophobicContact CD1-CG2 3.91Å; T230-V239 CarbonylContact C-O 3.48Å; T230-V239 WeakPolarHBondContact CA-O 3.07Å; T230-V239 WeakPolarHBondContact CB-O 3.47Å; T230-K240 HydrophobicContact CG2-CG 4.29Å
231F95.6Very high92Very high82 Ų8274.5 Ų74.536%0.3636%0.361SS..EExtended strand (participates in β ladder)trans-146154.3171.269.7-77.6000110.4Q233 C238 V239 R241F231-Q233 HydrophobicContact CD2-CG 4.43Å; F231-Q233 HydrophobicContact CE2-CG 3.87Å; F231-C238 WeakPolarHBondContact O-CA 3.31Å; F231-V239 HydrophobicContact CD1-CG2 3.79Å; F231-V239 HydrophobicContact CD2-CG2 4.38Å; F231-V239 HydrophobicContact CE1-CG2 3.3Å; F231-V239 HydrophobicContact CE2-CG2 3.92Å; F231-V239 HydrophobicContact CG-CG2 4.34Å; F231-V239 HydrophobicContact CZ-CG2 3.37Å; F231-V239 PolarHBondContact N-O 3.45Å; F231-V239 PolarHBondContact O-N 2.96Å; F231-R241 HydrophobicContact CD1-CG 3.72Å; F231-R241 HydrophobicContact CE1-CG 4.37Å
232E94.9Very high91.9Very high119 Ų11975 Ų7556%0.55637%0.374SS*.EExtended strand (participates in β ladder)trans-90.4128.9173.5-168.1-179.2172.600109.4G236E232-G236 WeakPolarHBondContact OE1-CA 3.44Å
233Q93.4Very high92Very high79 Ų7976.2 Ų76.237%0.36938%0.382SS..  trans-80.2167.4175.1-61.9-169.521.100111.1F231 D235 G236 T237 V239F231-Q233 HydrophobicContact CD2-CG 4.43Å; F231-Q233 HydrophobicContact CE2-CG 3.87Å; Q233-D235 WeakPolarHBondContact CB-OD1 3.36Å; Q233-D235 PolarHBondContact O-N 2.76Å; Q233-D235 VanDerWaalsContact O-N 3.11Å; Q233-G236 PolarHBondContact O-N 3.05Å; Q233-T237 WeakPolarHBondContact CB-O 3.44Å; Q233-T237 PolarHBondContact N-O 2.92Å; Q233-V239 HydrophobicContact CG-CG2 4.05Å; Q233-V239 VanDerWaalsContact NE2-CG1 3.26Å
234Q91Very high92.4Very high213 Ų21373.6 Ų73.6100%0.99537%0.367SS*.THydrogen-bonded Turntrans-60.5-23.5-179.7-67.3-178.3-1.400113.9G236Q234-G236 VanDerWaalsContact C-N 3.29Å
235D92.7Very high93.3Very high113 Ų11367 Ų6760%0.60434%0.336SS*.THydrogen-bonded Turntrans-85.82177.168-2.9000113.5Q233 T237Q233-D235 WeakPolarHBondContact CB-OD1 3.36Å; Q233-D235 PolarHBondContact O-N 2.76Å; Q233-D235 VanDerWaalsContact O-N 3.11Å; D235-T237 VanDerWaalsContact C-N 3.35Å; D235-T237 VanDerWaalsContact OD1-CB 3.31Å; D235-T237 WeakPolarHBondContact OD1-CB 3.47Å; D235-T237 WeakPolarHBondContact OD1-CG2 3.41Å; D235-T237 PolarHBondContact OD1-N 2.58Å; D235-T237 PolarHBondContact OD1-OG1 2.93Å; D235-T237 PolarHBondContact OD2-OG1 3.36Å
236G90.2Very high94.2Very high34 Ų3460.3 Ų60.335%0.35131%0.306SS..SBendtrans83.83.6-177.700000114.4E232 Q233 Q234E232-G236 WeakPolarHBondContact OE1-CA 3.44Å; Q233-G236 PolarHBondContact O-N 3.05Å; Q234-G236 VanDerWaalsContact C-N 3.29Å
237T94.4Very high94.7Very high60 Ų6056 Ų5637%0.36829%0.286SS..  trans-82.2132.2176.764.90000111.3Q233 D235Q233-T237 WeakPolarHBondContact CB-O 3.44Å; Q233-T237 PolarHBondContact N-O 2.92Å; D235-T237 VanDerWaalsContact C-N 3.35Å; D235-T237 VanDerWaalsContact OD1-CB 3.31Å; D235-T237 WeakPolarHBondContact OD1-CB 3.47Å; D235-T237 WeakPolarHBondContact OD1-CG2 3.41Å; D235-T237 PolarHBondContact OD1-N 2.58Å; D235-T237 PolarHBondContact OD1-OG1 2.93Å; D235-T237 PolarHBondContact OD2-OG1 3.36Å
238C96.6Very high94.9Very high11 Ų1156.1 Ų56.17%0.07429%0.286CS..EExtended strand (participates in β ladder)trans-88.2138.4174.4-63.60000110.7I203 N204 H207 F231I203-C238 HydrophobicContact CG1-CB 4.26Å; I203-C238 WeakPolarHBondContact CG1-O 3.44Å; I203-C238 HydrophobicContact CG2-CB 4.5Å; I203-C238 WeakPolarHBondContact CG2-O 3.13Å; N204-C238 VanDerWaalsContact OD1-CB 3.31Å; N204-C238 WeakPolarHBondContact OD1-CB 3.41Å; H207-C238 HydrophobicContact CB-CB 3.8Å; H207-C238 PolarHBondContact CD2-SG 3.21Å; H207-C238 VanDerWaalsContact CG-SG 3.56Å; F231-C238 WeakPolarHBondContact O-CA 3.31Å
239V96.6Very high95Very high40 Ų4052.4 Ų52.424%0.24227%0.272CS..EExtended strand (participates in β ladder)trans-137.1156.3175.8-64.50000112T230 F231 Q233T230-V239 CarbonylContact C-O 3.48Å; T230-V239 WeakPolarHBondContact CA-O 3.07Å; T230-V239 WeakPolarHBondContact CB-O 3.47Å; F231-V239 HydrophobicContact CD1-CG2 3.79Å; F231-V239 HydrophobicContact CD2-CG2 4.38Å; F231-V239 HydrophobicContact CE1-CG2 3.3Å; F231-V239 HydrophobicContact CE2-CG2 3.92Å; F231-V239 HydrophobicContact CG-CG2 4.34Å; F231-V239 HydrophobicContact CZ-CG2 3.37Å; F231-V239 PolarHBondContact N-O 3.45Å; F231-V239 PolarHBondContact O-N 2.96Å; Q233-V239 HydrophobicContact CG-CG2 4.05Å; Q233-V239 VanDerWaalsContact NE2-CG1 3.26Å
240K95.6Very high94.8Very high65 Ų6552.4 Ų52.428%0.28327%0.272SS..EExtended strand (participates in β ladder)trans-73.4140.2171.1-62.7-166.7175.8-167.90110.1I203 F229 T230I203-K240 HydrophobicContact CD1-CD 4.48Å; I203-K240 HydrophobicContact CD1-CG 3.59Å; F229-K240 WeakPolarHBondContact O-CA 3.04Å; T230-K240 HydrophobicContact CG2-CG 4.29Å
241R95.1Very high94.3Very high50 Ų5052.9 Ų52.919%0.18928%0.276CS..  trans-70.6149.1175.6-54.9179.47599.30.3111E226 R228 F229 F231 D243 R244E226-R241 IonicContact OE2-NH1 3.8Å; R228-R241 WeakPolarHBondContact O-CD 3.41Å; F229-R241 PolarHBondContact O-N 3Å; F231-R241 HydrophobicContact CD1-CG 3.72Å; F231-R241 HydrophobicContact CE1-CG 4.37Å; R241-D243 VanDerWaalsContact CB-OD1 3.3Å; R241-D243 WeakPolarHBondContact CB-OD1 3.39Å; R241-D243 IonicContact NE-OD1 3.29Å; R241-D243 PolarHBondContact NE-OD1 3.43Å; R241-R244 HydrophobicContact CB-CB 4.19Å; R241-R244 WeakPolarHBondContact O-CD 3.46Å; R241-R244 WeakPolarHBondContact O-CG 3.44Å
242T92Very high93.6Very high99 Ų9949.4 Ų49.461%0.60726%0.261SS*.SBendtrans-86.1-8.5-178.354.90000113.8P399T242-P399 WeakPolarHBondContact O-CD 3.39Å; T242-P399 WeakPolarHBondContact O-CG 3.46Å
243D90.6Very high92.5Very high113 Ų11346 Ų4660%0.60425%0.251SS*.SBendtrans-114.15.417964.9-26.8000112.9R241R241-D243 VanDerWaalsContact CB-OD1 3.3Å; R241-D243 WeakPolarHBondContact CB-OD1 3.39Å; R241-D243 IonicContact NE-OD1 3.29Å; R241-D243 PolarHBondContact NE-OD1 3.43Å
244R94.7Very high91.9Very high11 Ų1142.3 Ų42.34%0.04223%0.233CC..PPolyproline II helixtrans-65.3148.3-177.369.5-172.8-169.186.9-3.8112.3R228 F229 R241 D332 F398 P399R228-R244 WeakPolarHBondContact O-CB 3.37Å; F229-R244 HydrophobicContact CD1-CB 4.18Å; F229-R244 WeakPolarHBondContact O-CD 3.26Å; R241-R244 HydrophobicContact CB-CB 4.19Å; R241-R244 WeakPolarHBondContact O-CD 3.46Å; R241-R244 WeakPolarHBondContact O-CG 3.44Å; R244-D332 IonicContact CZ-OD1 2.67Å; R244-D332 IonicContact CZ-OD2 2.95Å; R244-D332 IonicContact NH1-OD1 3.59Å; R244-D332 PolarHBondContact NH1-OD1 2.47Å; R244-D332 IonicContact NH1-OD2 3.12Å; R244-D332 PolarHBondContact NH1-OD2 3.46Å; R244-D332 IonicContact NH2-OD1 3.54Å; R244-D332 PolarHBondContact NH2-OD1 2.59Å; R244-D332 IonicContact NH2-OD2 2.78Å; R244-F398 HydrophobicContact CG-CE1 4.4Å; R244-P399 HydrophobicContact CG-CB 4.28Å; R244-P399 HydrophobicContact CG-CG 4.3Å
245P95.7Very high91.2Very high4 Ų434 Ų343%0.02620%0.197CC..PPolyproline II helixtrans-69.3162.5165.928.7-29.6000111.3R228 F229 A284R228-P245 HydrophobicContact CG-CG 4.38Å; F229-P245 HydrophobicContact CD1-CG 4.47Å; F229-P245 HydrophobicContact CE1-CG 3.62Å; F229-P245 HydrophobicContact CZ-CG 4.03Å; P245-A284 CarbonylContact C-O 3.57Å; P245-A284 VanDerWaalsContact CA-O 3.27Å; P245-A284 WeakPolarHBondContact CA-O 3.41Å; P245-A284 HydrophobicContact CB-CB 4.18Å; P245-A284 WeakPolarHBondContact CB-O 3.47Å
246C96.9Very high90.2Very high0 Ų033.9 Ų33.90%020%0.202CC..EExtended strand (participates in β ladder)trans-76.4134.1168.4173.30000109.7P283 A284 L285 L286 L395 F398C246-P283 HydrophobicContact CB-CG 4.09Å; C246-A284 PolarHBondContact N-O 3.11Å; C246-L285 HydrophobicContact CB-CD2 3.83Å; C246-L286 PolarHBondContact O-N 3.31Å; C246-L395 HydrophobicContact CB-CD1 4.23Å; C246-L395 HydrophobicContact CB-CD2 4.14Å; C246-L395 WeakPolarHBondContact SG-CD2 3.36Å; C246-F398 HydrophobicContact CB-CD1 4.33Å; C246-F398 HydrophobicContact CB-CE1 3.84Å; C246-F398 HydrophobicContact CB-CE2 4.33Å; C246-F398 HydrophobicContact CB-CZ 3.83Å
247I98.3Very high89.3Confident1 Ų134.2 Ų34.21%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-89.4104.5169.7-57.2178000108.4L210 F229 L286 V288 A331 D332 V333L210-I247 HydrophobicContact CD2-CD1 4.01Å; F229-I247 HydrophobicContact CD1-CD1 3.71Å; F229-I247 HydrophobicContact CD1-CG1 3.78Å; F229-I247 HydrophobicContact CD2-CD1 4.2Å; F229-I247 HydrophobicContact CE1-CD1 3.6Å; F229-I247 HydrophobicContact CE1-CG1 3.24Å; F229-I247 HydrophobicContact CE2-CD1 4.09Å; F229-I247 HydrophobicContact CE2-CG1 4.4Å; F229-I247 HydrophobicContact CG-CD1 4.02Å; F229-I247 HydrophobicContact CZ-CD1 3.82Å; F229-I247 HydrophobicContact CZ-CG1 3.63Å; I247-L286 WeakPolarHBondContact CA-O 3.5Å; I247-V288 HydrophobicContact CG2-CG2 3.96Å; I247-A331 HydrophobicContact CG2-CB 3.96Å; I247-D332 PolarHBondContact N-OD2 2.44Å; I247-D332 PolarHBondContact O-N 3.37Å; I247-V333 PolarHBondContact O-N 3.33Å
248L98.3Very high88.3Confident2 Ų231.4 Ų31.41%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-94.8117171.2179.162.6000108.6L267 L286 V287 V288 V333 L335 L391L248-L267 HydrophobicContact CD2-CD2 4.28Å; L248-L286 PolarHBondContact N-O 2.81Å; L248-V287 HydrophobicContact CB-CG2 4.38Å; L248-V287 HydrophobicContact CD2-CG2 4.18Å; L248-V287 CarbonylContact O-C 3.59Å; L248-V287 VanDerWaalsContact O-CA 3.28Å; L248-V287 WeakPolarHBondContact O-CA 3.44Å; L248-V288 PolarHBondContact O-N 2.76Å; L248-V333 WeakPolarHBondContact CA-O 3.29Å; L248-V333 HydrophobicContact CD1-CB 3.85Å; L248-V333 HydrophobicContact CD1-CG1 3.73Å; L248-L335 HydrophobicContact CD1-CB 4.17Å; L248-L391 HydrophobicContact CD1-CD2 4.09Å; L248-L391 HydrophobicContact CD2-CD1 4.3Å; L248-L391 HydrophobicContact CD2-CD2 4Å
249L97.7Very high87.6Confident0 Ų035 Ų350%020%0.197CC..EExtended strand (participates in β ladder)trans-113.2130.8-17217662.5000111.5V288 T290 L327 L328 A331 V333 G334 L335 L358L249-V288 WeakPolarHBondContact CA-O 3.39Å; L249-V288 HydrophobicContact CD1-CB 3.8Å; L249-V288 HydrophobicContact CD1-CG1 3.68Å; L249-V288 WeakPolarHBondContact CD1-O 3.46Å; L249-T290 HydrophobicContact CD1-CG2 3.97Å; L249-L327 HydrophobicContact CD1-CD2 3.68Å; L249-L327 HydrophobicContact CD1-CG 4.14Å; L249-L327 HydrophobicContact CD2-CD2 4.31Å; L249-L327 HydrophobicContact CD2-CG 3.98Å; L249-L328 HydrophobicContact CD2-CD2 3.39Å; L249-L328 HydrophobicContact CD2-CG 4.23Å; L249-L328 HydrophobicContact CG-CD2 4.37Å; L249-A331 HydrophobicContact CB-CB 3.74Å; L249-A331 HydrophobicContact CD2-CB 3.81Å; L249-A331 HydrophobicContact CG-CB 4.46Å; L249-V333 PolarHBondContact N-O 2.81Å; L249-G334 CarbonylContact O-C 3.49Å; L249-G334 WeakPolarHBondContact O-CA 3.33Å; L249-L335 PolarHBondContact O-N 3.35Å; L249-L358 HydrophobicContact CD2-CD2 4.34Å
250T94.3Very high87Confident2 Ų233.3 Ų33.31%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-129.2139.5167-166.20000111.9V288 I289 T290 L335T250-V288 PolarHBondContact N-O 3.45Å; T250-I289 HydrophobicContact CG2-CB 4.3Å; T250-I289 HydrophobicContact CG2-CG1 3.92Å; T250-I289 HydrophobicContact CG2-CG2 4.12Å; T250-T290 PolarHBondContact O-N 3.47Å; T250-L335 WeakPolarHBondContact CB-O 3.44Å; T250-L335 PolarHBondContact OG1-O 3.07Å
251S86.2Confident86.7Confident13 Ų1331.9 Ų31.99%0.09119%0.19CC..EExtended strand (participates in β ladder)trans-105.3118.4174.7-50.50000108.3T290 Y324 K349S251-T290 WeakPolarHBondContact CA-OG1 3.43Å; S251-T290 PolarHBondContact OG-OG1 3.08Å; S251-Y324 WeakPolarHBondContact CB-OH 3.47Å; S251-Y324 VanDerWaalsContact OG-CE2 3.24Å; S251-Y324 WeakPolarHBondContact OG-CE2 3.47Å; S251-Y324 PolarHBondContact OG-OH 2.88Å; S251-K349 WeakPolarHBondContact O-CD 3.35Å; S251-K349 VanDerWaalsContact O-CE 3.25Å; S251-K349 WeakPolarHBondContact O-CE 3.47Å; S251-K349 PolarHBondContact O-NZ 3.09Å
252T79.7Confident86.6Confident9 Ų930.4 Ų30.46%0.05519%0.186CC..  trans-126.5143.5-169.21710000113.2W254 E258 F260 I289 T290 G291 K292T252-W254 HydrophobicContact CG2-CD2 3.95Å; T252-W254 HydrophobicContact CG2-CG 4.21Å; T252-W254 HydrophobicContact CG2-CZ2 4.04Å; T252-W254 PolarHBondContact OG1-N 2.82Å; T252-E258 VanDerWaalsContact CA-OE2 3.29Å; T252-E258 WeakPolarHBondContact CA-OE2 3.48Å; T252-E258 WeakPolarHBondContact CB-OE2 3.24Å; T252-E258 PolarHBondContact OG1-OE2 3.06Å; T252-F260 VanDerWaalsContact CB-CZ 3.48Å; T252-F260 HydrophobicContact CG2-CE2 4.49Å; T252-F260 HydrophobicContact CG2-CZ 3.72Å; T252-F260 WeakPolarHBondContact OG1-CE2 3.24Å; T252-F260 WeakPolarHBondContact OG1-CZ 3.49Å; T252-I289 HydrophobicContact CG2-CG2 3.26Å; T252-T290 WeakPolarHBondContact CG2-O 3.28Å; T252-T290 PolarHBondContact N-O 3.15Å; T252-G291 WeakPolarHBondContact O-CA 3.46Å; T252-K292 PolarHBondContact O-N 2.89Å
253S73.5Confident86.6Confident48 Ų4825.7 Ų25.734%0.33616%0.157SC..  trans-89-1.8168.341.30000113T255 E258 K292 G293S253-T255 PolarHBondContact O-N 3.21Å; S253-T255 PolarHBondContact OG-OG1 3.38Å; S253-E258 PolarHBondContact N-OE2 3.44Å; S253-K292 CarbonylContact O-C 3.53Å; S253-K292 VanDerWaalsContact O-O 3.06Å; S253-G293 WeakPolarHBondContact O-CA 3.48Å
254W79.5Confident86.8Confident0 Ų021.2 Ų21.20%013%0.133CC..  trans46.842.9-172.6-51.487.8000112T252 F260 I289 G291 K292 G293 L295 R296 Y299 T316T252-W254 HydrophobicContact CG2-CD2 3.95Å; T252-W254 HydrophobicContact CG2-CG 4.21Å; T252-W254 HydrophobicContact CG2-CZ2 4.04Å; T252-W254 PolarHBondContact OG1-N 2.82Å; W254-F260 HydrophobicContact CE3-CE2 4.06Å; W254-F260 HydrophobicContact CE3-CZ 4.04Å; W254-F260 HydrophobicContact CZ3-CE1 4.18Å; W254-F260 HydrophobicContact CZ3-CE2 4.5Å; W254-F260 HydrophobicContact CZ3-CZ 4.14Å; W254-I289 HydrophobicContact CH2-CB 4.46Å; W254-I289 HydrophobicContact CH2-CD1 4.43Å; W254-I289 HydrophobicContact CH2-CG2 3.62Å; W254-I289 HydrophobicContact CZ2-CB 4.4Å; W254-I289 HydrophobicContact CZ2-CG2 3.45Å; W254-I289 VanDerWaalsContact CZ2-CG2 3.45Å; W254-I289 HydrophobicContact CZ3-CG2 4.45Å; W254-G291 PolarHBondContact NE1-O 3.21Å; W254-G291 VanDerWaalsContact NE1-O 3.16Å; W254-K292 VanDerWaalsContact CD1-C 3.48Å; W254-G293 VanDerWaalsContact CD1-N 3.33Å; W254-L295 WeakPolarHBondContact O-CB 3.31Å; W254-L295 WeakPolarHBondContact O-CG 3.38Å; W254-L295 PolarHBondContact O-N 2.93Å; W254-R296 HydrophobicContact CB-CB 4.3Å; W254-R296 HydrophobicContact CD2-CB 3.66Å; W254-R296 HydrophobicContact CD2-CG 3.98Å; W254-R296 HydrophobicContact CE3-CB 4.1Å; W254-R296 HydrophobicContact CE3-CG 4.39Å; W254-R296 HydrophobicContact CG-CB 3.81Å; W254-R296 HydrophobicContact CG-CG 4.5Å; W254-R296 HydrophobicContact CH2-CG 4.2Å; W254-R296 HydrophobicContact CZ2-CB 4.45Å; W254-R296 HydrophobicContact CZ2-CG 3.83Å; W254-R296 HydrophobicContact CZ3-CG 4.48Å; W254-Y299 AromaticContact CE3-CD2 3.8Å; W254-Y299 HydrophobicContact CE3-CD2 3.8Å; W254-Y299 HydrophobicContact CE3-CG 4.4Å; W254-Y299 HydrophobicContact CZ3-CD2 4.21Å; W254-Y299 HydrophobicContact CZ3-CG 4.36Å; W254-T316 HydrophobicContact CH2-CG2 3.87Å; W254-T316 HydrophobicContact CZ2-CG2 3.83Å
255T76.8Confident86.8Confident39 Ų3925.6 Ų25.624%0.23915%0.154CC..  trans-107.7159.5-177.9440000110.5S253 D257 E258S253-T255 PolarHBondContact O-N 3.21Å; S253-T255 PolarHBondContact OG-OG1 3.38Å; T255-D257 WeakPolarHBondContact CB-OD1 3.46Å; T255-D257 PolarHBondContact O-N 3.02Å; T255-D257 VanDerWaalsContact O-N 3.09Å; T255-D257 PolarHBondContact OG1-OD1 2.94Å; T255-E258 PolarHBondContact O-N 3.37Å; T255-E258 VanDerWaalsContact O-N 3.09Å
256P71.6Confident86.9Confident110 Ų11025.4 Ų25.471%0.71415%0.153SC*.THydrogen-bonded Turntrans-62.7-15.3-176.4-23.233.7000115.7E258 L295P256-E258 VanDerWaalsContact C-N 3.26Å; P256-L295 HydrophobicContact CG-CD1 4.15Å
257D70.4Confident86.9Confident42 Ų4225.4 Ų25.423%0.22515%0.153CC..THydrogen-bonded Turntrans-79-5.1175.858.7-60.9000113.7T255 H338T255-D257 WeakPolarHBondContact CB-OD1 3.46Å; T255-D257 PolarHBondContact O-N 3.02Å; T255-D257 VanDerWaalsContact O-N 3.09Å; T255-D257 PolarHBondContact OG1-OD1 2.94Å; D257-H338 IonicContact OD2-CE1 3.3Å; D257-H338 IonicContact OD2-ND1 2.91Å; D257-H338 PolarHBondContact OD2-ND1 3.05Å
258E75.2Confident86.8Confident1 Ų127.5 Ų27.51%0.00517%0.166CC..BIsolated β-bridgetrans-109.4110.8172.9-65.3-177.1146.700109.7T252 S253 T255 P256 F260 K349T252-E258 VanDerWaalsContact CA-OE2 3.29Å; T252-E258 WeakPolarHBondContact CA-OE2 3.48Å; T252-E258 WeakPolarHBondContact CB-OE2 3.24Å; T252-E258 PolarHBondContact OG1-OE2 3.06Å; S253-E258 PolarHBondContact N-OE2 3.44Å; T255-E258 PolarHBondContact O-N 3.37Å; T255-E258 VanDerWaalsContact O-N 3.09Å; P256-E258 VanDerWaalsContact C-N 3.26Å; E258-F260 HydrophobicContact CB-CD2 4.26Å; E258-F260 HydrophobicContact CB-CE2 4Å; E258-F260 PolarHBondContact O-N 3.36Å; E258-K349 IonicContact OE1-NZ 2.8Å; E258-K349 PolarHBondContact OE1-NZ 2.92Å
259D81.4Confident86.7Confident86 Ų8629.1 Ų29.146%0.4617%0.174SC..  trans-79.690.8177.9-169.1-10.5000110.7G261 L262D259-G261 VanDerWaalsContact C-N 3.27Å; D259-G261 VanDerWaalsContact OD1-CA 3.31Å; D259-G261 WeakPolarHBondContact OD1-CA 3.15Å; D259-G261 PolarHBondContact OD1-N 3.06Å; D259-L262 HydrophobicContact CB-CB 4.14Å; D259-L262 WeakPolarHBondContact O-CB 3.49Å; D259-L262 PolarHBondContact OD1-N 3.15Å; D259-L262 VanDerWaalsContact OD1-N 3.07Å
260F83.2Confident86.6Confident4 Ų429.1 Ų29.12%0.01817%0.174CC..Hα-helixtrans-71.6-21171.9-84.7-84.6000113.5T252 W254 E258 L262 L263 L264 I289 Y299 L337T252-F260 VanDerWaalsContact CB-CZ 3.48Å; T252-F260 HydrophobicContact CG2-CE2 4.49Å; T252-F260 HydrophobicContact CG2-CZ 3.72Å; T252-F260 WeakPolarHBondContact OG1-CE2 3.24Å; T252-F260 WeakPolarHBondContact OG1-CZ 3.49Å; W254-F260 HydrophobicContact CE3-CE2 4.06Å; W254-F260 HydrophobicContact CE3-CZ 4.04Å; W254-F260 HydrophobicContact CZ3-CE1 4.18Å; W254-F260 HydrophobicContact CZ3-CE2 4.5Å; W254-F260 HydrophobicContact CZ3-CZ 4.14Å; E258-F260 HydrophobicContact CB-CD2 4.26Å; E258-F260 HydrophobicContact CB-CE2 4Å; E258-F260 PolarHBondContact O-N 3.36Å; F260-L262 VanDerWaalsContact C-N 3.28Å; F260-L263 HydrophobicContact CD1-CD2 4.18Å; F260-L263 HydrophobicContact CE1-CD2 4.25Å; F260-L263 PolarHBondContact O-N 2.9Å; F260-L264 WeakPolarHBondContact O-CG 3.42Å; F260-L264 PolarHBondContact O-N 3.17Å; F260-I289 HydrophobicContact CE1-CD1 4.24Å; F260-I289 HydrophobicContact CE1-CG2 4.3Å; F260-I289 HydrophobicContact CZ-CG2 4.44Å; F260-Y299 HydrophobicContact CB-CD1 3.49Å; F260-Y299 VanDerWaalsContact CB-CD1 3.49Å; F260-Y299 HydrophobicContact CB-CD2 4.31Å; F260-Y299 HydrophobicContact CB-CE1 3.37Å; F260-Y299 HydrophobicContact CB-CE2 4.15Å; F260-Y299 HydrophobicContact CB-CG 3.99Å; F260-Y299 AromaticContact CD2-CD2 3.94Å; F260-Y299 HydrophobicContact CD2-CD2 3.94Å; F260-Y299 HydrophobicContact CD2-CE1 4.44Å; F260-Y299 AromaticContact CD2-CE2 3.66Å; F260-Y299 HydrophobicContact CD2-CE2 3.66Å; F260-Y299 HydrophobicContact CD2-CG 4.39Å; F260-Y299 AromaticContact CD2-CZ 3.95Å; F260-Y299 HydrophobicContact CE2-CE2 4.49Å; F260-Y299 HydrophobicContact CG-CD1 4.18Å; F260-Y299 HydrophobicContact CG-CD2 4.2Å; F260-Y299 HydrophobicContact CG-CE1 4.24Å; F260-Y299 HydrophobicContact CG-CE2 4.18Å; F260-Y299 HydrophobicContact CG-CG 4.18Å; F260-L337 HydrophobicContact CE1-CD1 4.48Å
261G88.7Confident86.6Confident35 Ų3529.9 Ų29.936%0.36118%0.18SC..Hα-helixtrans-59.5-46173.200000110.1D259 L263 L264 E265D259-G261 VanDerWaalsContact C-N 3.27Å; D259-G261 VanDerWaalsContact OD1-CA 3.31Å; D259-G261 WeakPolarHBondContact OD1-CA 3.15Å; D259-G261 PolarHBondContact OD1-N 3.06Å; G261-L263 VanDerWaalsContact C-N 3.31Å; G261-L263 PolarHBondContact O-N 3.47Å; G261-L264 PolarHBondContact O-N 3.15Å; G261-E265 WeakPolarHBondContact O-CB 3.45Å; G261-E265 PolarHBondContact O-N 3.07Å
262L92.9Very high86.9Confident19 Ų1936.2 Ų36.210%0.09921%0.208CC..Hα-helixtrans-54.9-44.5173.6-173.9158.5000112D259 F260 E265 A266 L337 L363 F381 A384 L387D259-L262 HydrophobicContact CB-CB 4.14Å; D259-L262 WeakPolarHBondContact O-CB 3.49Å; D259-L262 PolarHBondContact OD1-N 3.15Å; D259-L262 VanDerWaalsContact OD1-N 3.07Å; F260-L262 VanDerWaalsContact C-N 3.28Å; L262-E265 PolarHBondContact O-N 2.86Å; L262-A266 WeakPolarHBondContact O-CB 3.26Å; L262-A266 PolarHBondContact O-N 3.04Å; L262-L337 HydrophobicContact CD2-CD2 4.13Å; L262-L363 HydrophobicContact CD1-CD1 4.2Å; L262-F381 HydrophobicContact CD2-CD2 4.36Å; L262-F381 HydrophobicContact CD2-CE2 3.71Å; L262-A384 HydrophobicContact CG-CB 4.24Å; L262-L387 HydrophobicContact CD2-CD2 3.9Å
263L94Very high87.5Confident1 Ų137.3 Ų37.31%0.00521%0.211CC..Hα-helixtrans-64.2-46.4177.617657.5000112.1F260 G261 E265 A266 L267 L335 L337 L387F260-L263 HydrophobicContact CD1-CD2 4.18Å; F260-L263 HydrophobicContact CE1-CD2 4.25Å; F260-L263 PolarHBondContact O-N 2.9Å; G261-L263 VanDerWaalsContact C-N 3.31Å; G261-L263 PolarHBondContact O-N 3.47Å; L263-E265 VanDerWaalsContact C-N 3.3Å; L263-E265 PolarHBondContact O-N 2.67Å; L263-A266 PolarHBondContact O-N 3.36Å; L263-L267 HydrophobicContact CD1-CD1 3.83Å; L263-L267 HydrophobicContact CD1-CD2 4.41Å; L263-L267 HydrophobicContact CD1-CG 3.87Å; L263-L267 HydrophobicContact CG-CD1 3.88Å; L263-L267 HydrophobicContact CG-CG 4.36Å; L263-L267 WeakPolarHBondContact O-CB 3.35Å; L263-L267 VanDerWaalsContact O-CG 3.26Å; L263-L267 WeakPolarHBondContact O-CG 3.26Å; L263-L267 PolarHBondContact O-N 3.38Å; L263-L335 HydrophobicContact CD1-CD2 3.49Å; L263-L335 VanDerWaalsContact CD1-CD2 3.49Å; L263-L335 HydrophobicContact CD2-CD2 4.05Å; L263-L335 HydrophobicContact CG-CD2 4.32Å; L263-L337 HydrophobicContact CB-CD1 3.85Å; L263-L337 HydrophobicContact CB-CD2 4.41Å; L263-L337 HydrophobicContact CD2-CD1 3.97Å; L263-L337 HydrophobicContact CG-CD1 4.44Å; L263-L387 HydrophobicContact CD1-CD2 4.29Å
264L93.6Very high88.1Confident19 Ų1938.3 Ų38.310%0.09922%0.216CC..Hα-helixtrans-63.3-39.3179.8-64.9-179.7000111.6F260 G261 L267 T268 H302 I303 F308 I314F260-L264 WeakPolarHBondContact O-CG 3.42Å; F260-L264 PolarHBondContact O-N 3.17Å; G261-L264 PolarHBondContact O-N 3.15Å; L264-L267 PolarHBondContact O-N 2.98Å; L264-T268 WeakPolarHBondContact O-CB 3.16Å; L264-T268 PolarHBondContact O-N 3.21Å; L264-T268 PolarHBondContact O-OG1 2.79Å; L264-H302 HydrophobicContact CD1-CB 3.95Å; L264-I303 HydrophobicContact CD1-CG1 4.33Å; L264-I303 HydrophobicContact CD2-CG1 3.59Å; L264-F308 HydrophobicContact CD2-CZ 4.23Å; L264-I314 HydrophobicContact CD2-CD1 4.27Å
265E95.5Very high88Confident102 Ų10244 Ų4448%0.47724%0.244SC..Hα-helixtrans-62.6-47.9174.3-174.7171.3-159.400111.2G261 L262 L263 L267 T268 I269 A384G261-E265 WeakPolarHBondContact O-CB 3.45Å; G261-E265 PolarHBondContact O-N 3.07Å; L262-E265 PolarHBondContact O-N 2.86Å; L263-E265 VanDerWaalsContact C-N 3.3Å; L263-E265 PolarHBondContact O-N 2.67Å; E265-L267 VanDerWaalsContact C-N 3.34Å; E265-L267 PolarHBondContact O-N 2.97Å; E265-T268 WeakPolarHBondContact O-CB 3.11Å; E265-T268 PolarHBondContact O-N 3.28Å; E265-T268 VanDerWaalsContact O-N 3.09Å; E265-I269 HydrophobicContact CG-CD1 4.18Å; E265-I269 WeakPolarHBondContact O-CG1 3.38Å; E265-I269 PolarHBondContact O-N 2.87Å; E265-A384 HydrophobicContact CB-CB 3.73Å; E265-A384 HydrophobicContact CG-CB 3.59Å
266A97.2Very high87.9Confident0 Ų050.3 Ų50.30%027%0.271CS..Hα-helixtrans-60.8-41.2177.700000112.5L262 L263 T268 I269 Y270 A384 L387L262-A266 WeakPolarHBondContact O-CB 3.26Å; L262-A266 PolarHBondContact O-N 3.04Å; L263-A266 PolarHBondContact O-N 3.36Å; A266-T268 VanDerWaalsContact C-N 3.31Å; A266-I269 PolarHBondContact O-N 2.89Å; A266-Y270 WeakPolarHBondContact O-CB 3.49Å; A266-Y270 PolarHBondContact O-N 2.71Å; A266-A384 HydrophobicContact CB-CB 4.13Å; A266-A384 VanDerWaalsContact CB-O 3.31Å; A266-A384 WeakPolarHBondContact CB-O 3.46Å; A266-L387 HydrophobicContact CB-CB 3.92Å; A266-L387 HydrophobicContact CB-CD2 3.62Å; A266-L387 HydrophobicContact CB-CG 3.76Å
267L96.7Very high87.3Confident0 Ų048.4 Ų48.40%026%0.255CS..Hα-helixtrans-68.2-32.3176.3-67.9172.2000112.1L248 L263 L264 E265 S271 L285 V287 F308 V312 I314L248-L267 HydrophobicContact CD2-CD2 4.28Å; L263-L267 HydrophobicContact CD1-CD1 3.83Å; L263-L267 HydrophobicContact CD1-CD2 4.41Å; L263-L267 HydrophobicContact CD1-CG 3.87Å; L263-L267 HydrophobicContact CG-CD1 3.88Å; L263-L267 HydrophobicContact CG-CG 4.36Å; L263-L267 WeakPolarHBondContact O-CB 3.35Å; L263-L267 VanDerWaalsContact O-CG 3.26Å; L263-L267 WeakPolarHBondContact O-CG 3.26Å; L263-L267 PolarHBondContact O-N 3.38Å; L264-L267 PolarHBondContact O-N 2.98Å; E265-L267 VanDerWaalsContact C-N 3.34Å; E265-L267 PolarHBondContact O-N 2.97Å; L267-S271 WeakPolarHBondContact O-CB 3.2Å; L267-S271 PolarHBondContact O-N 3.3Å; L267-S271 PolarHBondContact O-OG 2.91Å; L267-L285 HydrophobicContact CD2-CD1 3.88Å; L267-V287 HydrophobicContact CD1-CG2 4.04Å; L267-V287 HydrophobicContact CD2-CG2 3.9Å; L267-F308 HydrophobicContact CB-CD1 4.22Å; L267-F308 HydrophobicContact CB-CE1 3.56Å; L267-F308 HydrophobicContact CB-CZ 4.21Å; L267-V312 HydrophobicContact CD1-CG1 4.24Å; L267-V312 HydrophobicContact CD2-CG1 4.19Å; L267-V312 HydrophobicContact CD2-CG2 4.35Å; L267-I314 HydrophobicContact CD1-CD1 4.26Å
268T95.7Very high86.7Confident46 Ų4654.5 Ų54.528%0.28229%0.288SS..Hα-helixtrans-66.4-48.1173.9-59.20000110.3L264 E265 A266 Y270 S271 Q272L264-T268 WeakPolarHBondContact O-CB 3.16Å; L264-T268 PolarHBondContact O-N 3.21Å; L264-T268 PolarHBondContact O-OG1 2.79Å; E265-T268 WeakPolarHBondContact O-CB 3.11Å; E265-T268 PolarHBondContact O-N 3.28Å; E265-T268 VanDerWaalsContact O-N 3.09Å; A266-T268 VanDerWaalsContact C-N 3.31Å; T268-Y270 VanDerWaalsContact C-N 3.35Å; T268-Y270 PolarHBondContact O-N 3.08Å; T268-S271 PolarHBondContact O-N 3.41Å; T268-Q272 WeakPolarHBondContact O-CG 3.41Å; T268-Q272 PolarHBondContact O-N 3.31Å
269I96.1Very high85.7Confident36 Ų3661.9 Ų61.919%0.18532%0.322CS..Hα-helixtrans-59.2-47.3174.9-63.7164.4000110E265 A266 S271 Q272 Y273 A384 E385 A388E265-I269 HydrophobicContact CG-CD1 4.18Å; E265-I269 WeakPolarHBondContact O-CG1 3.38Å; E265-I269 PolarHBondContact O-N 2.87Å; A266-I269 PolarHBondContact O-N 2.89Å; I269-S271 VanDerWaalsContact C-N 3.27Å; I269-S271 PolarHBondContact O-N 3.24Å; I269-Q272 WeakPolarHBondContact O-CB 3.45Å; I269-Q272 PolarHBondContact O-N 3.4Å; I269-Y273 HydrophobicContact CG2-CE2 4.34Å; I269-A384 HydrophobicContact CD1-CB 4.34Å; I269-E385 HydrophobicContact CD1-CG 4.01Å; I269-A388 HydrophobicContact CB-CB 3.76Å; I269-A388 HydrophobicContact CG2-CB 3.53Å
270Y95.7Very high84.8Confident0 Ų059.6 Ų59.60%031%0.311CS..Hα-helixtrans-56.8-41.6178.3-178.1-89000112.6A266 T268 Q272 Y273 P283 L285 L391 L395A266-Y270 WeakPolarHBondContact O-CB 3.49Å; A266-Y270 PolarHBondContact O-N 2.71Å; T268-Y270 VanDerWaalsContact C-N 3.35Å; T268-Y270 PolarHBondContact O-N 3.08Å; Y270-Q272 PolarHBondContact O-N 3.39Å; Y270-Y273 HydrophobicContact CD2-CD2 4.1Å; Y270-Y273 HydrophobicContact CD2-CE2 4.38Å; Y270-Y273 HydrophobicContact CG-CD2 4.45Å; Y270-Y273 WeakPolarHBondContact O-CD2 3.21Å; Y270-Y273 PolarHBondContact O-N 2.86Å; Y270-Y273 VanDerWaalsContact O-N 3.16Å; Y270-P283 WeakPolarHBondContact OH-CD 3.38Å; Y270-P283 PolarHBondContact OH-O 3.49Å; Y270-P283 VanDerWaalsContact OH-O 3.12Å; Y270-L285 HydrophobicContact CD1-CD1 3.61Å; Y270-L285 HydrophobicContact CD1-CG 4.05Å; Y270-L285 HydrophobicContact CE1-CD1 3.59Å; Y270-L285 HydrophobicContact CE1-CD2 3.95Å; Y270-L285 HydrophobicContact CE1-CG 3.55Å; Y270-L285 HydrophobicContact CE2-CD1 4.48Å; Y270-L285 HydrophobicContact CG-CD1 4.1Å; Y270-L391 HydrophobicContact CD2-CB 3.74Å; Y270-L391 HydrophobicContact CD2-CD1 4.47Å; Y270-L391 HydrophobicContact CE2-CB 3.95Å; Y270-L395 HydrophobicContact CE2-CD1 4.3Å
271S94.6Very high84.8Confident18 Ų1862.1 Ų62.113%0.12633%0.33CS..Hα-helixtrans-64.9-24.4-179.3-59.50000112.9L267 T268 I269 V312L267-S271 WeakPolarHBondContact O-CB 3.2Å; L267-S271 PolarHBondContact O-N 3.3Å; L267-S271 PolarHBondContact O-OG 2.91Å; T268-S271 PolarHBondContact O-N 3.41Å; I269-S271 VanDerWaalsContact C-N 3.27Å; I269-S271 PolarHBondContact O-N 3.24Å; S271-V312 WeakPolarHBondContact OG-CG2 3.5Å
272Q93Very high85Confident145 Ų14561 Ų6168%0.67832%0.315SS*.Hα-helixtrans-82.5-15.9177.9-64.3169.58.600113.3T268 I269 Y270T268-Q272 WeakPolarHBondContact O-CG 3.41Å; T268-Q272 PolarHBondContact O-N 3.31Å; I269-Q272 WeakPolarHBondContact O-CB 3.45Å; I269-Q272 PolarHBondContact O-N 3.4Å; Y270-Q272 PolarHBondContact O-N 3.39Å
273Y91.6Very high85Confident32 Ų3260.7 Ų60.713%0.12532%0.315CS..SBendtrans-65.2142.4175.1-65.5-51.6000111I269 Y270 M275 L282 R311 A388 D389 R392I269-Y273 HydrophobicContact CG2-CE2 4.34Å; Y270-Y273 HydrophobicContact CD2-CD2 4.1Å; Y270-Y273 HydrophobicContact CD2-CE2 4.38Å; Y270-Y273 HydrophobicContact CG-CD2 4.45Å; Y270-Y273 WeakPolarHBondContact O-CD2 3.21Å; Y270-Y273 PolarHBondContact O-N 2.86Å; Y270-Y273 VanDerWaalsContact O-N 3.16Å; Y273-M275 PolarHBondContact O-N 3.39Å; Y273-L282 HydrophobicContact CD2-CD1 4.3Å; Y273-L282 HydrophobicContact CG-CD1 4.3Å; Y273-R311 PolarHBondContact O-NH2 2.95Å; Y273-A388 HydrophobicContact CE2-CB 4.14Å; Y273-D389 PolarHBondContact OH-OD1 2.91Å; Y273-R392 HydrophobicContact CD2-CB 4.11Å; Y273-R392 HydrophobicContact CD2-CG 4.44Å; Y273-R392 HydrophobicContact CE2-CB 3.9Å
274P87Confident85Confident69 Ų6962.2 Ų62.245%0.44833%0.327SS..  trans-53.6139.3175.9-25.333.7000112.4E276 D277 R311P274-E276 VanDerWaalsContact C-N 3.35Å; P274-D277 HydrophobicContact CB-CB 4.46Å; P274-R311 PolarHBondContact O-NH2 3Å
275M76.7Confident85.2Confident119 Ų11961.4 Ų61.459%0.58632%0.323SS*.SBendtrans-66.6-40.9173-86.5-16571.600111.7Y273 S281 L282 R311Y273-M275 PolarHBondContact O-N 3.39Å; M275-S281 VanDerWaalsContact O-CA 3.22Å; M275-S281 WeakPolarHBondContact O-CA 3.46Å; M275-L282 PolarHBondContact O-N 3.04Å; M275-L282 VanDerWaalsContact O-N 3.08Å; M275-R311 VanDerWaalsContact CG-CZ 3.41Å
276E74.8Confident85.3Confident172 Ų17256.6 Ų56.680%0.80430%0.3SS*.EExtended strand (participates in β ladder)trans-124.7106.1175.8-64.1-179.2173.900106.4P274P274-E276 VanDerWaalsContact C-N 3.35Å
277D59.9Low85.3Confident70 Ų7056.6 Ų56.637%0.37430%0.301SS..EExtended strand (participates in β ladder)trans-94.4159.9165.8-166.50.9000108.2P274 Q279 T280 R392P274-D277 HydrophobicContact CB-CB 4.46Å; D277-Q279 PolarHBondContact O-N 3.03Å; D277-T280 PolarHBondContact N-O 3.2Å; D277-T280 PolarHBondContact O-N 3.26Å; D277-R392 IonicContact OD2-NH2 3.65Å; D277-R392 PolarHBondContact OD2-NH2 3.28Å
278D56.3Low85.3Confident170 Ų17056.6 Ų56.691%0.90930%0.301SS*.THydrogen-bonded Turntrans-52.7-13.4-178.7-83.5-18.1000113.4
279Q54Low85.2Confident157 Ų15754.6 Ų54.673%0.73429%0.288SS*.THydrogen-bonded Turntrans-130.52.5175-64.5-164.61.700117.1D277D277-Q279 PolarHBondContact O-N 3.03Å
280T63.5Low85Confident37 Ų3753.3 Ų53.323%0.22728%0.282CS..EExtended strand (participates in β ladder)trans-172.7151.2171.331.60000118.5D277 K396D277-T280 PolarHBondContact N-O 3.2Å; D277-T280 PolarHBondContact O-N 3.26Å; T280-K396 HydrophobicContact CG2-CB 4.38Å; T280-K396 HydrophobicContact CG2-CD 3.87Å; T280-K396 HydrophobicContact CG2-CG 3.14Å; T280-K396 WeakPolarHBondContact OG1-CE 3.42Å; T280-K396 WeakPolarHBondContact OG1-CG 3.43Å
281S83.9Confident84.5Confident58 Ų5854.7 Ų54.741%0.40630%0.296SS..EExtended strand (participates in β ladder)trans-86.1135.9167.561.10000113.2M275 G397M275-S281 VanDerWaalsContact O-CA 3.22Å; M275-S281 WeakPolarHBondContact O-CA 3.46Å; S281-G397 PolarHBondContact O-N 3.31Å; S281-G397 VanDerWaalsContact O-N 3.09Å
282L91.3Very high83.8Confident10 Ų1060.2 Ų60.25%0.05232%0.318CS..  trans-108.8131.8171.5-71175.6000111.6Y273 M275 R311 R392Y273-L282 HydrophobicContact CD2-CD1 4.3Å; Y273-L282 HydrophobicContact CG-CD1 4.3Å; M275-L282 PolarHBondContact O-N 3.04Å; M275-L282 VanDerWaalsContact O-N 3.08Å; L282-R311 PolarHBondContact O-NH1 3.29Å; L282-R392 HydrophobicContact CD1-CG 4.13Å; L282-R392 HydrophobicContact CD2-CG 4.22Å
283P93.3Very high83.3Confident14 Ų1454.7 Ų54.79%0.09130%0.3CS..  trans-74.1166.9-176.234.7-39.5000112.7C246 Y270 R311 L395 F398C246-P283 HydrophobicContact CB-CG 4.09Å; Y270-P283 WeakPolarHBondContact OH-CD 3.38Å; Y270-P283 PolarHBondContact OH-O 3.49Å; Y270-P283 VanDerWaalsContact OH-O 3.12Å; P283-R311 PolarHBondContact O-NH1 3.35Å; P283-L395 HydrophobicContact CG-CB 4.07Å; P283-L395 HydrophobicContact CG-CD1 4.29Å; P283-F398 HydrophobicContact CB-CB 4.46Å; P283-F398 HydrophobicContact CB-CD1 3.64Å; P283-F398 HydrophobicContact CB-CE1 4.32Å; P283-F398 HydrophobicContact CB-CG 4.4Å; P283-F398 HydrophobicContact CG-CB 3.88Å; P283-F398 HydrophobicContact CG-CD1 3.68Å; P283-F398 HydrophobicContact CG-CE1 4.48Å; P283-F398 HydrophobicContact CG-CG 3.99Å
284A95.1Very high82.7Confident33 Ų3358.2 Ų58.227%0.27333%0.329SS..  trans-71.3152.7159.600000110.3P245 C246 R311P245-A284 CarbonylContact C-O 3.57Å; P245-A284 VanDerWaalsContact CA-O 3.27Å; P245-A284 WeakPolarHBondContact CA-O 3.41Å; P245-A284 HydrophobicContact CB-CB 4.18Å; P245-A284 WeakPolarHBondContact CB-O 3.47Å; C246-A284 PolarHBondContact N-O 3.11Å; A284-R311 CarbonylContact C-O 3.44Å; A284-R311 VanDerWaalsContact CA-O 3.3Å; A284-R311 WeakPolarHBondContact CA-O 3.44Å
285L97.2Very high82.6Confident2 Ų256.4 Ų56.41%0.0132%0.316CS..EExtended strand (participates in β ladder)trans-107.1129.3177.3-52.7-174.7000110.6C246 L267 Y270 V287 R311 V312 S313 L395C246-L285 HydrophobicContact CB-CD2 3.83Å; L267-L285 HydrophobicContact CD2-CD1 3.88Å; Y270-L285 HydrophobicContact CD1-CD1 3.61Å; Y270-L285 HydrophobicContact CD1-CG 4.05Å; Y270-L285 HydrophobicContact CE1-CD1 3.59Å; Y270-L285 HydrophobicContact CE1-CD2 3.95Å; Y270-L285 HydrophobicContact CE1-CG 3.55Å; Y270-L285 HydrophobicContact CE2-CD1 4.48Å; Y270-L285 HydrophobicContact CG-CD1 4.1Å; L285-V287 HydrophobicContact CB-CG2 4.26Å; L285-R311 PolarHBondContact N-O 3.18Å; L285-V312 HydrophobicContact CB-CG1 4.41Å; L285-V312 HydrophobicContact CB-CG2 4.24Å; L285-V312 HydrophobicContact CD1-CG2 4.24Å; L285-V312 HydrophobicContact CG-CG2 4.4Å; L285-V312 WeakPolarHBondContact O-CA 3.49Å; L285-S313 PolarHBondContact O-N 3.37Å; L285-L395 HydrophobicContact CD2-CD1 3.47Å; L285-L395 VanDerWaalsContact CD2-CD1 3.47Å
286L97.7Very high82.9Confident0 Ų055 Ų550%030%0.304CS..EExtended strand (participates in β ladder)trans-96.7107155.2179.563.2000107.9E219 F220 F229 C246 I247 L248 V288 S313 V315E219-L286 HydrophobicContact CB-CD1 3.68Å; E219-L286 HydrophobicContact CB-CD2 4.42Å; E219-L286 HydrophobicContact CG-CD1 4.32Å; F220-L286 HydrophobicContact CD2-CD2 3.99Å; F220-L286 HydrophobicContact CE1-CD2 4.32Å; F220-L286 HydrophobicContact CE2-CD2 3.74Å; F220-L286 HydrophobicContact CG-CD2 4.41Å; F220-L286 HydrophobicContact CZ-CD2 3.91Å; F229-L286 HydrophobicContact CE2-CD2 4.03Å; F229-L286 HydrophobicContact CZ-CB 4.3Å; F229-L286 HydrophobicContact CZ-CD2 3.52Å; C246-L286 PolarHBondContact O-N 3.31Å; I247-L286 WeakPolarHBondContact CA-O 3.5Å; L248-L286 PolarHBondContact N-O 2.81Å; L286-V288 HydrophobicContact CD2-CG2 4.12Å; L286-V288 HydrophobicContact CG-CG2 4.03Å; L286-S313 CarbonylContact C-O 3.48Å; L286-S313 WeakPolarHBondContact CA-O 3.36Å; L286-V315 HydrophobicContact CD1-CB 4.39Å; L286-V315 HydrophobicContact CD1-CG1 3.79Å; L286-V315 HydrophobicContact CD2-CG1 4.44Å; L286-V315 HydrophobicContact CG-CG1 4.25Å
287V97.3Very high83.6Confident1 Ų151.9 Ų51.91%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-88.4111.6175.2-176.30000108.4L248 L267 L285 I289 V312 S313 I314 V315L248-V287 HydrophobicContact CB-CG2 4.38Å; L248-V287 HydrophobicContact CD2-CG2 4.18Å; L248-V287 CarbonylContact O-C 3.59Å; L248-V287 VanDerWaalsContact O-CA 3.28Å; L248-V287 WeakPolarHBondContact O-CA 3.44Å; L267-V287 HydrophobicContact CD1-CG2 4.04Å; L267-V287 HydrophobicContact CD2-CG2 3.9Å; L285-V287 HydrophobicContact CB-CG2 4.26Å; V287-I289 HydrophobicContact CG1-CD1 4.38Å; V287-I289 HydrophobicContact CG1-CG1 4Å; V287-V312 HydrophobicContact CG2-CG1 3.65Å; V287-S313 PolarHBondContact N-O 3.08Å; V287-I314 HydrophobicContact CB-CG1 3.98Å; V287-I314 HydrophobicContact CG1-CG1 4.5Å; V287-I314 HydrophobicContact CG2-CG1 4.42Å; V287-I314 WeakPolarHBondContact O-CA 3.38Å; V287-V315 PolarHBondContact O-N 3.44Å
288V96.7Very high84.8Confident0 Ų053.2 Ų53.20%029%0.293CS..EExtended strand (participates in β ladder)trans-97.8120.8177.3-178.70000108.5F220 I247 L248 L249 T250 L286 T290 V315 M317 L327F220-V288 HydrophobicContact CE2-CG2 4.29Å; F220-V288 HydrophobicContact CZ-CG2 3.88Å; I247-V288 HydrophobicContact CG2-CG2 3.96Å; L248-V288 PolarHBondContact O-N 2.76Å; L249-V288 WeakPolarHBondContact CA-O 3.39Å; L249-V288 HydrophobicContact CD1-CB 3.8Å; L249-V288 HydrophobicContact CD1-CG1 3.68Å; L249-V288 WeakPolarHBondContact CD1-O 3.46Å; T250-V288 PolarHBondContact N-O 3.45Å; L286-V288 HydrophobicContact CD2-CG2 4.12Å; L286-V288 HydrophobicContact CG-CG2 4.03Å; V288-T290 HydrophobicContact CG1-CG2 4.11Å; V288-V315 HydrophobicContact CB-CG1 4.32Å; V288-V315 HydrophobicContact CG1-CG1 4.42Å; V288-V315 HydrophobicContact CG2-CG1 3.83Å; V288-M317 HydrophobicContact CG1-CB 4.45Å; V288-M317 HydrophobicContact CG1-CG 4.04Å; V288-M317 HydrophobicContact CG1-SD 3.35Å; V288-M317 WeakPolarHBondContact CG1-SD 3.43Å; V288-M317 HydrophobicContact CG2-SD 4.41Å; V288-L327 HydrophobicContact CG1-CD1 4.45Å; V288-L327 HydrophobicContact CG1-CD2 3.83Å
289I93.9Very high86.1Confident3 Ų346.9 Ų46.92%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-113.8116.8179.4-53.9-180000108.3T250 T252 W254 F260 V287 I314 V315 T316 M317T250-I289 HydrophobicContact CG2-CB 4.3Å; T250-I289 HydrophobicContact CG2-CG1 3.92Å; T250-I289 HydrophobicContact CG2-CG2 4.12Å; T252-I289 HydrophobicContact CG2-CG2 3.26Å; W254-I289 HydrophobicContact CH2-CB 4.46Å; W254-I289 HydrophobicContact CH2-CD1 4.43Å; W254-I289 HydrophobicContact CH2-CG2 3.62Å; W254-I289 HydrophobicContact CZ2-CB 4.4Å; W254-I289 HydrophobicContact CZ2-CG2 3.45Å; W254-I289 VanDerWaalsContact CZ2-CG2 3.45Å; W254-I289 HydrophobicContact CZ3-CG2 4.45Å; F260-I289 HydrophobicContact CE1-CD1 4.24Å; F260-I289 HydrophobicContact CE1-CG2 4.3Å; F260-I289 HydrophobicContact CZ-CG2 4.44Å; V287-I289 HydrophobicContact CG1-CD1 4.38Å; V287-I289 HydrophobicContact CG1-CG1 4Å; I289-I314 HydrophobicContact CD1-CG2 3.57Å; I289-I314 HydrophobicContact CG1-CG2 4.13Å; I289-V315 PolarHBondContact N-O 3.38Å; I289-T316 HydrophobicContact CB-CG2 4.27Å; I289-T316 CarbonylContact O-C 3.58Å; I289-T316 VanDerWaalsContact O-CA 3.25Å; I289-T316 WeakPolarHBondContact O-CA 3.3Å; I289-M317 PolarHBondContact O-N 3.25Å
290T92.1Very high87.7Confident9 Ų941.1 Ų41.16%0.05523%0.231CC..EExtended strand (participates in β ladder)trans-110.7151.8179.8690000111.9L249 T250 S251 T252 V288 M317 L319 L327L249-T290 HydrophobicContact CD1-CG2 3.97Å; T250-T290 PolarHBondContact O-N 3.47Å; S251-T290 WeakPolarHBondContact CA-OG1 3.43Å; S251-T290 PolarHBondContact OG-OG1 3.08Å; T252-T290 WeakPolarHBondContact CG2-O 3.28Å; T252-T290 PolarHBondContact N-O 3.15Å; V288-T290 HydrophobicContact CG1-CG2 4.11Å; T290-M317 HydrophobicContact CG2-CB 4.3Å; T290-L319 HydrophobicContact CG2-CD1 4.48Å; T290-L327 HydrophobicContact CG2-CD2 3.52Å
291G85Confident88.9Confident29 Ų2946.9 Ų46.930%0.29925%0.249SC..  trans114.3-172.3171.700000114.6T252 W254T252-G291 WeakPolarHBondContact O-CA 3.46Å; W254-G291 PolarHBondContact NE1-O 3.21Å; W254-G291 VanDerWaalsContact NE1-O 3.16Å
292K80.1Confident89Confident134 Ų13448.1 Ų48.158%0.58325%0.248SC*.  trans-143.7133.6-168.5176.3180-1771780112.6T252 S253 W254 W318T252-K292 PolarHBondContact O-N 2.89Å; S253-K292 CarbonylContact O-C 3.53Å; S253-K292 VanDerWaalsContact O-O 3.06Å; W254-K292 VanDerWaalsContact CD1-C 3.48Å; K292-W318 HydrophobicContact CB-CH2 4.3Å; K292-W318 HydrophobicContact CB-CZ3 3.68Å; K292-W318 HydrophobicContact CD-CH2 4.35Å; K292-W318 HydrophobicContact CD-CZ3 4.42Å
293G81.5Confident88.8Confident29 Ų2948.7 Ų48.730%0.29925%0.251SS..  trans-176.2-175.8166.300000113.9S253 W254 L295S253-G293 WeakPolarHBondContact O-CA 3.48Å; W254-G293 VanDerWaalsContact CD1-N 3.33Å; G293-L295 PolarHBondContact O-N 2.91Å
294S80.4Confident88.5Confident106 Ų10656 Ų5674%0.74128%0.283SS*.THydrogen-bonded Turntrans-72.9-27.9-165.949.10000114.2R296S294-R296 VanDerWaalsContact C-N 3.32Å
295L83.1Confident88.2Confident32 Ų3261.6 Ų61.617%0.16830%0.304CS..THydrogen-bonded Turntrans-87.2-1.5-176.7-58.8178.8000113.3W254 P256 G293 E297 E298 Y299W254-L295 WeakPolarHBondContact O-CB 3.31Å; W254-L295 WeakPolarHBondContact O-CG 3.38Å; W254-L295 PolarHBondContact O-N 2.93Å; P256-L295 HydrophobicContact CG-CD1 4.15Å; G293-L295 PolarHBondContact O-N 2.91Å; L295-E297 PolarHBondContact O-N 2.59Å; L295-E298 WeakPolarHBondContact O-CB 3.49Å; L295-E298 PolarHBondContact O-N 3.3Å; L295-E298 VanDerWaalsContact O-N 3.13Å; L295-Y299 HydrophobicContact CB-CD2 3.56Å; L295-Y299 HydrophobicContact CB-CE2 3.31Å; L295-Y299 HydrophobicContact CD1-CE2 3.71Å; L295-Y299 HydrophobicContact CG-CE2 4.15Å; L295-Y299 WeakPolarHBondContact O-CD2 3.42Å; L295-Y299 PolarHBondContact O-N 2.81Å
296R85Confident87.9Confident89 Ų8963.6 Ų63.634%0.33632%0.317SS..Hα-helixtrans-51.1-52.5-176.6179.5176.2178.9-1286.7113W254 S294 E298 Y299 L300 T316W254-R296 HydrophobicContact CB-CB 4.3Å; W254-R296 HydrophobicContact CD2-CB 3.66Å; W254-R296 HydrophobicContact CD2-CG 3.98Å; W254-R296 HydrophobicContact CE3-CB 4.1Å; W254-R296 HydrophobicContact CE3-CG 4.39Å; W254-R296 HydrophobicContact CG-CB 3.81Å; W254-R296 HydrophobicContact CG-CG 4.5Å; W254-R296 HydrophobicContact CH2-CG 4.2Å; W254-R296 HydrophobicContact CZ2-CB 4.45Å; W254-R296 HydrophobicContact CZ2-CG 3.83Å; W254-R296 HydrophobicContact CZ3-CG 4.48Å; S294-R296 VanDerWaalsContact C-N 3.32Å; R296-E298 VanDerWaalsContact C-N 3.3Å; R296-E298 PolarHBondContact O-N 3.08Å; R296-Y299 PolarHBondContact O-N 2.91Å; R296-L300 HydrophobicContact CG-CD1 3.97Å; R296-L300 HydrophobicContact CG-CG 4.36Å; R296-L300 WeakPolarHBondContact O-CB 3.38Å; R296-L300 VanDerWaalsContact O-CG 3.28Å; R296-L300 WeakPolarHBondContact O-CG 3.18Å; R296-L300 PolarHBondContact O-N 2.82Å; R296-T316 PolarHBondContact NH2-OG1 3.17Å
297E87.4Confident87.5Confident106 Ų10669.7 Ų69.750%0.49535%0.349SS..Hα-helixtrans-67.6-32.7-176.7-61.2-55.2145.500112.6L295 R301L295-E297 PolarHBondContact O-N 2.59Å; E297-R301 WeakPolarHBondContact O-CG 3.42Å; E297-R301 PolarHBondContact O-N 3.07Å
298E85.9Confident87.3Confident99 Ų9970.4 Ų70.446%0.46335%0.352SS..Hα-helixtrans-67-47.2175.6-176.5175.6163.400110.5L295 R296 R301 H302L295-E298 WeakPolarHBondContact O-CB 3.49Å; L295-E298 PolarHBondContact O-N 3.3Å; L295-E298 VanDerWaalsContact O-N 3.13Å; R296-E298 VanDerWaalsContact C-N 3.3Å; R296-E298 PolarHBondContact O-N 3.08Å; E298-R301 WeakPolarHBondContact O-CB 3.44Å; E298-R301 PolarHBondContact O-N 3.05Å; E298-H302 PolarHBondContact O-N 3.37Å; E298-H302 PolarHBondContact O-ND1 2.9Å
299Y83.7Confident86.9Confident36 Ų3674.8 Ų74.814%0.14138%0.383CS..Hα-helixtrans-67.8-35.9177.7-71.8-57.5000113.4W254 F260 L295 R296 R301 H302 I303W254-Y299 AromaticContact CE3-CD2 3.8Å; W254-Y299 HydrophobicContact CE3-CD2 3.8Å; W254-Y299 HydrophobicContact CE3-CG 4.4Å; W254-Y299 HydrophobicContact CZ3-CD2 4.21Å; W254-Y299 HydrophobicContact CZ3-CG 4.36Å; F260-Y299 HydrophobicContact CB-CD1 3.49Å; F260-Y299 VanDerWaalsContact CB-CD1 3.49Å; F260-Y299 HydrophobicContact CB-CD2 4.31Å; F260-Y299 HydrophobicContact CB-CE1 3.37Å; F260-Y299 HydrophobicContact CB-CE2 4.15Å; F260-Y299 HydrophobicContact CB-CG 3.99Å; F260-Y299 AromaticContact CD2-CD2 3.94Å; F260-Y299 HydrophobicContact CD2-CD2 3.94Å; F260-Y299 HydrophobicContact CD2-CE1 4.44Å; F260-Y299 AromaticContact CD2-CE2 3.66Å; F260-Y299 HydrophobicContact CD2-CE2 3.66Å; F260-Y299 HydrophobicContact CD2-CG 4.39Å; F260-Y299 AromaticContact CD2-CZ 3.95Å; F260-Y299 HydrophobicContact CE2-CE2 4.49Å; F260-Y299 HydrophobicContact CG-CD1 4.18Å; F260-Y299 HydrophobicContact CG-CD2 4.2Å; F260-Y299 HydrophobicContact CG-CE1 4.24Å; F260-Y299 HydrophobicContact CG-CE2 4.18Å; F260-Y299 HydrophobicContact CG-CG 4.18Å; L295-Y299 HydrophobicContact CB-CD2 3.56Å; L295-Y299 HydrophobicContact CB-CE2 3.31Å; L295-Y299 HydrophobicContact CD1-CE2 3.71Å; L295-Y299 HydrophobicContact CG-CE2 4.15Å; L295-Y299 WeakPolarHBondContact O-CD2 3.42Å; L295-Y299 PolarHBondContact O-N 2.81Å; R296-Y299 PolarHBondContact O-N 2.91Å; Y299-R301 PolarHBondContact O-N 2.76Å; Y299-H302 PolarHBondContact O-N 2.84Å; Y299-H302 VanDerWaalsContact O-N 3.17Å; Y299-I303 WeakPolarHBondContact O-CG1 3.44Å; Y299-I303 PolarHBondContact O-N 2.91Å
300L87.2Confident86.6Confident37 Ų3777.9 Ų77.919%0.19442%0.416CS..Hα-helixtrans-60.5-33.4174.2-76.5178.1000112.4R296 I303 Q304 T316R296-L300 HydrophobicContact CG-CD1 3.97Å; R296-L300 HydrophobicContact CG-CG 4.36Å; R296-L300 WeakPolarHBondContact O-CB 3.38Å; R296-L300 VanDerWaalsContact O-CG 3.28Å; R296-L300 WeakPolarHBondContact O-CG 3.18Å; R296-L300 PolarHBondContact O-N 2.82Å; L300-I303 HydrophobicContact CD2-CD1 4.25Å; L300-Q304 WeakPolarHBondContact O-CG 3.42Å; L300-Q304 PolarHBondContact O-N 2.92Å; L300-T316 HydrophobicContact CD2-CG2 3.71Å
301R89.1Confident86.5Confident157 Ų15778.4 Ų78.459%0.59242%0.416SS*.Hα-helixtrans-67.6-46.7172.7-68.8172.7-165.8151.95.5111.6E297 E298 Y299 I303 Q304 E305E297-R301 WeakPolarHBondContact O-CG 3.42Å; E297-R301 PolarHBondContact O-N 3.07Å; E298-R301 WeakPolarHBondContact O-CB 3.44Å; E298-R301 PolarHBondContact O-N 3.05Å; Y299-R301 PolarHBondContact O-N 2.76Å; R301-I303 VanDerWaalsContact C-N 3.28Å; R301-I303 PolarHBondContact O-N 2.9Å; R301-Q304 WeakPolarHBondContact O-CB 3.29Å; R301-Q304 PolarHBondContact O-N 3.5Å; R301-E305 PolarHBondContact O-N 2.79Å
302H85.8Confident87Confident84 Ų8477.5 Ų77.539%0.38941%0.405SS..Hα-helixtrans-59.7-39.6177.1-6986.6000111.8L264 E298 Y299 Q304 E305L264-H302 HydrophobicContact CD1-CB 3.95Å; E298-H302 PolarHBondContact O-N 3.37Å; E298-H302 PolarHBondContact O-ND1 2.9Å; Y299-H302 PolarHBondContact O-N 2.84Å; Y299-H302 VanDerWaalsContact O-N 3.17Å; H302-Q304 VanDerWaalsContact C-N 3.28Å; H302-Q304 PolarHBondContact O-N 3.21Å; H302-E305 PolarHBondContact O-N 2.74Å; H302-E305 VanDerWaalsContact O-N 3.15Å
303I87.3Confident87.8Confident23 Ų2373.2 Ų73.212%0.11839%0.392CS..Hα-helixtrans-58.9-39.3175-73.8160.2000111.8L264 Y299 L300 R301 E305 V306 I314L264-I303 HydrophobicContact CD1-CG1 4.33Å; L264-I303 HydrophobicContact CD2-CG1 3.59Å; Y299-I303 WeakPolarHBondContact O-CG1 3.44Å; Y299-I303 PolarHBondContact O-N 2.91Å; L300-I303 HydrophobicContact CD2-CD1 4.25Å; R301-I303 VanDerWaalsContact C-N 3.28Å; R301-I303 PolarHBondContact O-N 2.9Å; I303-E305 PolarHBondContact O-N 3.44Å; I303-V306 PolarHBondContact O-N 2.92Å; I303-I314 HydrophobicContact CB-CD1 4.49Å; I303-I314 HydrophobicContact CD1-CD1 4.29Å; I303-I314 HydrophobicContact CD1-CG2 4.16Å; I303-I314 HydrophobicContact CG1-CD1 3.99Å; I303-I314 HydrophobicContact CG2-CB 4.32Å; I303-I314 HydrophobicContact CG2-CD1 3.72Å
304Q87.2Confident88.4Confident166 Ų16673.3 Ų73.378%0.77639%0.385SS*.Hα-helixtrans-70.1-21180-71.7173.5-6.500113.3L300 R301 H302L300-Q304 WeakPolarHBondContact O-CG 3.42Å; L300-Q304 PolarHBondContact O-N 2.92Å; R301-Q304 WeakPolarHBondContact O-CB 3.29Å; R301-Q304 PolarHBondContact O-N 3.5Å; H302-Q304 VanDerWaalsContact C-N 3.28Å; H302-Q304 PolarHBondContact O-N 3.21Å
305E88.5Confident89Confident152 Ų15268.6 Ų68.671%0.7135%0.352SS*.Hα-helixtrans-84.7-14.2179.4-66.9173.1-179.900112.6R301 H302 I303R301-E305 PolarHBondContact O-N 2.79Å; H302-E305 PolarHBondContact O-N 2.74Å; H302-E305 VanDerWaalsContact O-N 3.15Å; I303-E305 PolarHBondContact O-N 3.44Å
306V90.3Very high89.4Confident44 Ų4468.6 Ų68.627%0.26735%0.353SS..  trans-98.1121.9-178.3-177.10000110.4I303 F308I303-V306 PolarHBondContact O-N 2.92Å; V306-F308 HydrophobicContact CB-CE1 4.42Å; V306-F308 HydrophobicContact CB-CE2 4.13Å; V306-F308 HydrophobicContact CB-CZ 3.94Å; V306-F308 HydrophobicContact CG1-CD1 3.95Å; V306-F308 HydrophobicContact CG1-CD2 4.4Å; V306-F308 HydrophobicContact CG1-CE1 3.48Å; V306-F308 VanDerWaalsContact CG1-CE1 3.48Å; V306-F308 HydrophobicContact CG1-CE2 3.98Å; V306-F308 HydrophobicContact CG1-CG 4.38Å; V306-F308 HydrophobicContact CG1-CZ 3.51Å
307D89.7Confident89.8Confident128 Ų12864.6 Ų64.668%0.68434%0.338SS*.  trans-91.4107171.8-177.813.6000110.9S309D307-S309 PolarHBondContact O-N 3.46Å; D307-S309 WeakPolarHBondContact OD1-CA 3.21Å; D307-S309 PolarHBondContact OD1-N 3.5Å
308F93.1Very high89.7Confident15 Ų1566.9 Ų66.97%0.06634%0.343CS..  trans-83.110.7174.8-59-71.2000113.6L264 L267 V306 G310 R311 V312 I314L264-F308 HydrophobicContact CD2-CZ 4.23Å; L267-F308 HydrophobicContact CB-CD1 4.22Å; L267-F308 HydrophobicContact CB-CE1 3.56Å; L267-F308 HydrophobicContact CB-CZ 4.21Å; V306-F308 HydrophobicContact CB-CE1 4.42Å; V306-F308 HydrophobicContact CB-CE2 4.13Å; V306-F308 HydrophobicContact CB-CZ 3.94Å; V306-F308 HydrophobicContact CG1-CD1 3.95Å; V306-F308 HydrophobicContact CG1-CD2 4.4Å; V306-F308 HydrophobicContact CG1-CE1 3.48Å; V306-F308 VanDerWaalsContact CG1-CE1 3.48Å; V306-F308 HydrophobicContact CG1-CE2 3.98Å; V306-F308 HydrophobicContact CG1-CG 4.38Å; V306-F308 HydrophobicContact CG1-CZ 3.51Å; F308-G310 PolarHBondContact O-N 2.94Å; F308-G310 VanDerWaalsContact O-N 3.07Å; F308-R311 VanDerWaalsContact O-CB 3.29Å; F308-R311 WeakPolarHBondContact O-CB 3.45Å; F308-R311 PolarHBondContact O-N 3.19Å; F308-V312 HydrophobicContact CB-CB 3.71Å; F308-V312 HydrophobicContact CB-CG2 4.24Å; F308-V312 HydrophobicContact CD1-CB 4.04Å; F308-V312 HydrophobicContact CD1-CG2 4.21Å; F308-V312 HydrophobicContact CD2-CB 4.1Å; F308-V312 HydrophobicContact CD2-CG1 4.4Å; F308-V312 HydrophobicContact CG-CB 3.69Å; F308-V312 HydrophobicContact CG-CG1 4.36Å; F308-V312 HydrophobicContact CG-CG2 4.29Å; F308-I314 HydrophobicContact CE2-CD1 3.72Å; F308-I314 HydrophobicContact CZ-CD1 4.04Å
309S88.1Confident89.7Confident93 Ų9363.2 Ų63.265%0.6533%0.326SS*.THydrogen-bonded Turntrans52.234.4-179.8-61.60000113.4D307 R311D307-S309 PolarHBondContact O-N 3.46Å; D307-S309 WeakPolarHBondContact OD1-CA 3.21Å; D307-S309 PolarHBondContact OD1-N 3.5Å; S309-R311 PolarHBondContact O-N 2.93Å
310G87.1Confident89.8Confident68 Ų6866.7 Ų66.770%0.70134%0.344SS*.THydrogen-bonded Turntrans72.61.7-177.100000115.9F308F308-G310 PolarHBondContact O-N 2.94Å; F308-G310 VanDerWaalsContact O-N 3.07Å
311R91.7Very high89.5Confident19 Ų1968.8 Ų68.87%0.07237%0.366CS..SBendtrans-76.4-29.3-179.8-63.9-80.1-92.5147.3-11.9112.9Y273 P274 M275 L282 P283 A284 L285 F308 S309Y273-R311 PolarHBondContact O-NH2 2.95Å; P274-R311 PolarHBondContact O-NH2 3Å; M275-R311 VanDerWaalsContact CG-CZ 3.41Å; L282-R311 PolarHBondContact O-NH1 3.29Å; P283-R311 PolarHBondContact O-NH1 3.35Å; A284-R311 CarbonylContact C-O 3.44Å; A284-R311 VanDerWaalsContact CA-O 3.3Å; A284-R311 WeakPolarHBondContact CA-O 3.44Å; L285-R311 PolarHBondContact N-O 3.18Å; F308-R311 VanDerWaalsContact O-CB 3.29Å; F308-R311 WeakPolarHBondContact O-CB 3.45Å; F308-R311 PolarHBondContact O-N 3.19Å; S309-R311 PolarHBondContact O-N 2.93Å
312V95.7Very high89.5Confident10 Ų1067.7 Ų67.76%0.06137%0.368CS..EExtended strand (participates in β ladder)trans-128.5130.8-176.8-1780000109.1L267 S271 L285 V287 F308 I314L267-V312 HydrophobicContact CD1-CG1 4.24Å; L267-V312 HydrophobicContact CD2-CG1 4.19Å; L267-V312 HydrophobicContact CD2-CG2 4.35Å; S271-V312 WeakPolarHBondContact OG-CG2 3.5Å; L285-V312 HydrophobicContact CB-CG1 4.41Å; L285-V312 HydrophobicContact CB-CG2 4.24Å; L285-V312 HydrophobicContact CD1-CG2 4.24Å; L285-V312 HydrophobicContact CG-CG2 4.4Å; L285-V312 WeakPolarHBondContact O-CA 3.49Å; V287-V312 HydrophobicContact CG2-CG1 3.65Å; F308-V312 HydrophobicContact CB-CB 3.71Å; F308-V312 HydrophobicContact CB-CG2 4.24Å; F308-V312 HydrophobicContact CD1-CB 4.04Å; F308-V312 HydrophobicContact CD1-CG2 4.21Å; F308-V312 HydrophobicContact CD2-CB 4.1Å; F308-V312 HydrophobicContact CD2-CG1 4.4Å; F308-V312 HydrophobicContact CG-CB 3.69Å; F308-V312 HydrophobicContact CG-CG1 4.36Å; F308-V312 HydrophobicContact CG-CG2 4.29Å; V312-I314 HydrophobicContact CG1-CG1 4.13Å
313S95Very high89.8Confident44 Ų4465 Ų6531%0.30836%0.355SS..EExtended strand (participates in β ladder)trans-116133.9168-57.70000108.3L285 L286 V287L285-S313 PolarHBondContact O-N 3.37Å; L286-S313 CarbonylContact C-O 3.48Å; L286-S313 WeakPolarHBondContact CA-O 3.36Å; V287-S313 PolarHBondContact N-O 3.08Å
314I94.3Very high90.1Very high32 Ų3265.9 Ų65.916%0.16436%0.357CS..EExtended strand (participates in β ladder)trans-113.6128.8179.6-61.5168.8000108.7L264 L267 V287 I289 I303 F308 V312L264-I314 HydrophobicContact CD2-CD1 4.27Å; L267-I314 HydrophobicContact CD1-CD1 4.26Å; V287-I314 HydrophobicContact CB-CG1 3.98Å; V287-I314 HydrophobicContact CG1-CG1 4.5Å; V287-I314 HydrophobicContact CG2-CG1 4.42Å; V287-I314 WeakPolarHBondContact O-CA 3.38Å; I289-I314 HydrophobicContact CD1-CG2 3.57Å; I289-I314 HydrophobicContact CG1-CG2 4.13Å; I303-I314 HydrophobicContact CB-CD1 4.49Å; I303-I314 HydrophobicContact CD1-CD1 4.29Å; I303-I314 HydrophobicContact CD1-CG2 4.16Å; I303-I314 HydrophobicContact CG1-CD1 3.99Å; I303-I314 HydrophobicContact CG2-CB 4.32Å; I303-I314 HydrophobicContact CG2-CD1 3.72Å; F308-I314 HydrophobicContact CE2-CD1 3.72Å; F308-I314 HydrophobicContact CZ-CD1 4.04Å; V312-I314 HydrophobicContact CG1-CG1 4.13Å
315V93.6Very high90.5Very high6 Ų658.4 Ų58.44%0.03632%0.324CS..EExtended strand (participates in β ladder)trans-125.9131.817563.40000109.8Y217 E219 F220 L286 V287 V288 I289 M317Y217-V315 HydrophobicContact CD1-CG2 3.83Å; Y217-V315 HydrophobicContact CE1-CG2 4.44Å; Y217-V315 HydrophobicContact CG-CG2 4.47Å; E219-V315 HydrophobicContact CB-CB 4.43Å; E219-V315 HydrophobicContact CG-CB 4.11Å; E219-V315 HydrophobicContact CG-CG2 4.41Å; F220-V315 HydrophobicContact CE2-CG1 3.99Å; L286-V315 HydrophobicContact CD1-CB 4.39Å; L286-V315 HydrophobicContact CD1-CG1 3.79Å; L286-V315 HydrophobicContact CD2-CG1 4.44Å; L286-V315 HydrophobicContact CG-CG1 4.25Å; V287-V315 PolarHBondContact O-N 3.44Å; V288-V315 HydrophobicContact CB-CG1 4.32Å; V288-V315 HydrophobicContact CG1-CG1 4.42Å; V288-V315 HydrophobicContact CG2-CG1 3.83Å; I289-V315 PolarHBondContact N-O 3.38Å; V315-M317 HydrophobicContact CG1-CG 4.44Å; V315-M317 HydrophobicContact CG1-SD 4.43Å; V315-M317 HydrophobicContact CG2-CG 4.19Å
316T92.8Very high90.9Very high32 Ų3254.2 Ų54.220%0.19631%0.306CS..EExtended strand (participates in β ladder)trans-97.3125.7171.567.80000110.1W254 I289 R296 L300W254-T316 HydrophobicContact CH2-CG2 3.87Å; W254-T316 HydrophobicContact CZ2-CG2 3.83Å; I289-T316 HydrophobicContact CB-CG2 4.27Å; I289-T316 CarbonylContact O-C 3.58Å; I289-T316 VanDerWaalsContact O-CA 3.25Å; I289-T316 WeakPolarHBondContact O-CA 3.3Å; R296-T316 PolarHBondContact NH2-OG1 3.17Å; L300-T316 HydrophobicContact CD2-CG2 3.71Å
317M92.1Very high91.3Very high5 Ų552.1 Ų52.13%0.02529%0.293CS..EExtended strand (participates in β ladder)trans-116.2138.5-175.7-66.4176.358.500111.1M213 Y217 F220 V288 I289 T290 V315 L319 L327M213-M317 HydrophobicContact CG-CE 4.2Å; M213-M317 HydrophobicContact SD-CE 3.44Å; M213-M317 WeakPolarHBondContact SD-CE 3.49Å; Y217-M317 HydrophobicContact CD1-CG 4.23Å; Y217-M317 HydrophobicContact CD2-CE 4.1Å; Y217-M317 HydrophobicContact CD2-CG 4.49Å; Y217-M317 HydrophobicContact CE1-CB 4.4Å; Y217-M317 HydrophobicContact CE1-CG 3.77Å; Y217-M317 HydrophobicContact CE2-CE 3.69Å; Y217-M317 HydrophobicContact CE2-CG 4.08Å; Y217-M317 HydrophobicContact CE2-SD 4.39Å; F220-M317 HydrophobicContact CE2-CE 4.4Å; F220-M317 HydrophobicContact CE2-SD 3.55Å; F220-M317 VanDerWaalsContact CE2-SD 3.55Å; F220-M317 HydrophobicContact CZ-CE 4.26Å; F220-M317 HydrophobicContact CZ-SD 3.62Å; V288-M317 HydrophobicContact CG1-CB 4.45Å; V288-M317 HydrophobicContact CG1-CG 4.04Å; V288-M317 HydrophobicContact CG1-SD 3.35Å; V288-M317 WeakPolarHBondContact CG1-SD 3.43Å; V288-M317 HydrophobicContact CG2-SD 4.41Å; I289-M317 PolarHBondContact O-N 3.25Å; T290-M317 HydrophobicContact CG2-CB 4.3Å; V315-M317 HydrophobicContact CG1-CG 4.44Å; V315-M317 HydrophobicContact CG1-SD 4.43Å; V315-M317 HydrophobicContact CG2-CG 4.19Å; M317-L319 HydrophobicContact CB-CG 4.48Å; M317-L319 HydrophobicContact CE-CD1 4.3Å; M317-L319 HydrophobicContact CE-CD2 3.76Å; M317-L319 HydrophobicContact CE-CG 4.24Å; M317-L327 HydrophobicContact CE-CD1 4.4Å; M317-L327 HydrophobicContact CE-CD2 4.26Å; M317-L327 HydrophobicContact SD-CD2 4.39Å
318W86Confident91.7Very high155 Ų15546.1 Ų46.159%0.58726%0.261SS*.  trans-108.9119.9165.4-174.6-103000108.2Y217 K292Y217-W318 PolarHBondContact OH-N 2.94Å; Y217-W318 PolarHBondContact OH-O 2.88Å; K292-W318 HydrophobicContact CB-CH2 4.3Å; K292-W318 HydrophobicContact CB-CZ3 3.68Å; K292-W318 HydrophobicContact CD-CH2 4.35Å; K292-W318 HydrophobicContact CD-CZ3 4.42Å
319L86.1Confident91.9Very high22 Ų2245.9 Ų45.912%0.11526%0.262CS..  trans-118.9151.7-174.8-70-178000110.6M213 T290 M317 E323 L327M213-L319 HydrophobicContact SD-CD2 4.2Å; T290-L319 HydrophobicContact CG2-CD1 4.48Å; M317-L319 HydrophobicContact CB-CG 4.48Å; M317-L319 HydrophobicContact CE-CD1 4.3Å; M317-L319 HydrophobicContact CE-CD2 3.76Å; M317-L319 HydrophobicContact CE-CG 4.24Å; L319-E323 HydrophobicContact CB-CB 4.16Å; L319-E323 HydrophobicContact CD2-CB 4.08Å; L319-E323 HydrophobicContact CG-CB 4.5Å; L319-L327 HydrophobicContact CD1-CB 3.75Å; L319-L327 HydrophobicContact CD1-CD2 3.41Å; L319-L327 VanDerWaalsContact CD1-CD2 3.41Å; L319-L327 HydrophobicContact CD1-CG 4.19Å
320Q84.7Confident92.3Very high109 Ų10941.6 Ų41.651%0.50923%0.232SC..  trans-69.3159.1163.7-57-55.9-44.900110.2E322 E323 Y324Q320-E322 PolarHBondContact O-N 3.17Å; Q320-E323 HydrophobicContact CB-CG 4.18Å; Q320-E323 PolarHBondContact N-OE2 3.37Å; Q320-E323 PolarHBondContact O-N 3.25Å; Q320-Y324 PolarHBondContact O-N 3.04Å
321A82Confident92.9Very high80 Ų8038.5 Ų38.566%0.66120%0.2SC*.THydrogen-bonded Turntrans-58.1-35-178.400000112.1P325A321-P325 WeakPolarHBondContact O-CD 3.4Å
322E87.7Confident93.2Very high135 Ų13537.6 Ų37.663%0.63120%0.196SC*.THydrogen-bonded Turntrans-76.4-22.7179.7-56.874.2-161.700113.1Q320Q320-E322 PolarHBondContact O-N 3.17Å
323E92.5Very high93.3Very high27 Ų2737.2 Ų37.213%0.12619%0.194CC..Hα-helixtrans-85.1-23.1179.5-65.4177.1143.500111.9F209 R216 L319 Q320 L326 L327F209-E323 HydrophobicContact CE2-CB 4.14Å; R216-E323 IonicContact CZ-OE1 3.77Å; R216-E323 VanDerWaalsContact CZ-OE1 3.3Å; R216-E323 IonicContact NH1-OE1 3.59Å; R216-E323 PolarHBondContact NH1-OE1 3.36Å; R216-E323 IonicContact NH1-OE2 3.72Å; R216-E323 PolarHBondContact NH1-OE2 3.26Å; R216-E323 IonicContact NH2-OE1 3.44Å; R216-E323 PolarHBondContact NH2-OE1 3.23Å; L319-E323 HydrophobicContact CB-CB 4.16Å; L319-E323 HydrophobicContact CD2-CB 4.08Å; L319-E323 HydrophobicContact CG-CB 4.5Å; Q320-E323 HydrophobicContact CB-CG 4.18Å; Q320-E323 PolarHBondContact N-OE2 3.37Å; Q320-E323 PolarHBondContact O-N 3.25Å; E323-L326 WeakPolarHBondContact O-CB 3.46Å; E323-L326 PolarHBondContact O-N 2.83Å; E323-L327 PolarHBondContact O-N 3.04Å
324Y93.6Very high93.4Very high41 Ų4135.1 Ų35.116%0.16118%0.179CC..Hα-helixtrans-61.7-48.1-178.5175.3-114.1000113.4F198 S251 Q320 L326 L327 L328 D352F198-Y324 AromaticContact CE1-CD1 3.74Å; F198-Y324 HydrophobicContact CE1-CD1 3.74Å; F198-Y324 AromaticContact CE1-CE1 3.75Å; F198-Y324 HydrophobicContact CE1-CE1 3.75Å; F198-Y324 HydrophobicContact CZ-CD1 4.13Å; F198-Y324 HydrophobicContact CZ-CE1 4.23Å; S251-Y324 WeakPolarHBondContact CB-OH 3.47Å; S251-Y324 VanDerWaalsContact OG-CE2 3.24Å; S251-Y324 WeakPolarHBondContact OG-CE2 3.47Å; S251-Y324 PolarHBondContact OG-OH 2.88Å; Q320-Y324 PolarHBondContact O-N 3.04Å; Y324-L326 VanDerWaalsContact C-N 3.26Å; Y324-L326 PolarHBondContact O-N 3.41Å; Y324-L327 PolarHBondContact O-N 2.9Å; Y324-L328 HydrophobicContact CD1-CD1 4.14Å; Y324-L328 HydrophobicContact CD2-CG 4.44Å; Y324-L328 HydrophobicContact CE1-CD1 3.63Å; Y324-L328 HydrophobicContact CE1-CG 4.31Å; Y324-L328 HydrophobicContact CE2-CD1 4.25Å; Y324-L328 HydrophobicContact CE2-CD2 3.95Å; Y324-L328 HydrophobicContact CE2-CG 4.03Å; Y324-L328 WeakPolarHBondContact O-CG 3.44Å; Y324-L328 PolarHBondContact O-N 3.38Å; Y324-D352 HydrophobicContact CE1-CB 4.47Å
325P95.5Very high93.6Very high10 Ų1033.6 Ų33.67%0.06517%0.172CC..Hα-helixtrans-58.8-36.2174-23.332.2000113.5A197 F198 A321 L328 A329 C356A197-P325 HydrophobicContact CB-CG 4.39Å; A197-P325 VanDerWaalsContact O-CB 3.28Å; A197-P325 WeakPolarHBondContact O-CB 3.38Å; F198-P325 HydrophobicContact CD1-CB 3.98Å; F198-P325 HydrophobicContact CD1-CG 4Å; F198-P325 HydrophobicContact CE1-CB 4.2Å; F198-P325 HydrophobicContact CE1-CG 3.77Å; F198-P325 HydrophobicContact CZ-CG 4.13Å; A321-P325 WeakPolarHBondContact O-CD 3.4Å; P325-L328 PolarHBondContact O-N 3.17Å; P325-A329 WeakPolarHBondContact O-CB 3.28Å; P325-A329 PolarHBondContact O-N 2.86Å; P325-C356 PolarHBondContact O-SG 3.45Å
326L97.5Very high93.6Very high64 Ų6433.4 Ų33.434%0.33517%0.17SC..Hα-helixtrans-65.8-41.9178-57.2178.2000111.4L201 F209 E323 Y324 A329 C330L201-L326 HydrophobicContact CD1-CD2 4.26Å; L201-L326 HydrophobicContact CD2-CD2 4.1Å; F209-L326 HydrophobicContact CD1-CB 4.33Å; F209-L326 HydrophobicContact CD2-CB 3.59Å; F209-L326 HydrophobicContact CD2-CD1 3.7Å; F209-L326 HydrophobicContact CD2-CG 4.31Å; F209-L326 HydrophobicContact CE1-CB 4.43Å; F209-L326 HydrophobicContact CE2-CB 3.7Å; F209-L326 HydrophobicContact CE2-CD1 4.09Å; F209-L326 HydrophobicContact CG-CB 3.91Å; F209-L326 HydrophobicContact CZ-CB 4.13Å; E323-L326 WeakPolarHBondContact O-CB 3.46Å; E323-L326 PolarHBondContact O-N 2.83Å; Y324-L326 VanDerWaalsContact C-N 3.26Å; Y324-L326 PolarHBondContact O-N 3.41Å; L326-A329 PolarHBondContact O-N 3.46Å; L326-C330 PolarHBondContact O-N 2.86Å; L326-C330 VanDerWaalsContact O-N 3.1Å; L326-C330 PolarHBondContact O-SG 3.32Å
327L97.8Very high93.7Very high0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-62.9-45.5174.4178.364.1000111.5F209 L249 V288 T290 M317 L319 E323 Y324 A329 C330 A331F209-L327 HydrophobicContact CE1-CB 3.88Å; F209-L327 HydrophobicContact CE1-CD1 4.09Å; F209-L327 HydrophobicContact CZ-CB 3.91Å; L249-L327 HydrophobicContact CD1-CD2 3.68Å; L249-L327 HydrophobicContact CD1-CG 4.14Å; L249-L327 HydrophobicContact CD2-CD2 4.31Å; L249-L327 HydrophobicContact CD2-CG 3.98Å; V288-L327 HydrophobicContact CG1-CD1 4.45Å; V288-L327 HydrophobicContact CG1-CD2 3.83Å; T290-L327 HydrophobicContact CG2-CD2 3.52Å; M317-L327 HydrophobicContact CE-CD1 4.4Å; M317-L327 HydrophobicContact CE-CD2 4.26Å; M317-L327 HydrophobicContact SD-CD2 4.39Å; L319-L327 HydrophobicContact CD1-CB 3.75Å; L319-L327 HydrophobicContact CD1-CD2 3.41Å; L319-L327 VanDerWaalsContact CD1-CD2 3.41Å; L319-L327 HydrophobicContact CD1-CG 4.19Å; E323-L327 PolarHBondContact O-N 3.04Å; Y324-L327 PolarHBondContact O-N 2.9Å; L327-A329 VanDerWaalsContact C-N 3.29Å; L327-A329 PolarHBondContact O-N 3.13Å; L327-C330 PolarHBondContact O-N 3.1Å; L327-C330 VanDerWaalsContact O-N 3.11Å; L327-A331 PolarHBondContact O-N 3.36Å; L327-A331 VanDerWaalsContact O-N 3.07Å
328L97.9Very high93.5Very high1 Ų133 Ų331%0.00517%0.166CC..Hα-helixtrans-56.9-44.3176.2-67.1174.2000111.2F198 L249 Y324 P325 C330 A331 D352 M353 C356 L358F198-L328 HydrophobicContact CD1-CD1 3.73Å; F198-L328 HydrophobicContact CE1-CD1 3.72Å; L249-L328 HydrophobicContact CD2-CD2 3.39Å; L249-L328 HydrophobicContact CD2-CG 4.23Å; L249-L328 HydrophobicContact CG-CD2 4.37Å; Y324-L328 HydrophobicContact CD1-CD1 4.14Å; Y324-L328 HydrophobicContact CD2-CG 4.44Å; Y324-L328 HydrophobicContact CE1-CD1 3.63Å; Y324-L328 HydrophobicContact CE1-CG 4.31Å; Y324-L328 HydrophobicContact CE2-CD1 4.25Å; Y324-L328 HydrophobicContact CE2-CD2 3.95Å; Y324-L328 HydrophobicContact CE2-CG 4.03Å; Y324-L328 WeakPolarHBondContact O-CG 3.44Å; Y324-L328 PolarHBondContact O-N 3.38Å; P325-L328 PolarHBondContact O-N 3.17Å; L328-C330 PolarHBondContact O-N 3.47Å; L328-A331 PolarHBondContact O-N 2.97Å; L328-D352 HydrophobicContact CD1-CB 3.86Å; L328-M353 HydrophobicContact CD2-CE 4.26Å; L328-M353 HydrophobicContact CD2-CG 3.66Å; L328-C356 HydrophobicContact CB-CB 3.86Å; L328-L358 HydrophobicContact CD2-CD2 4.31Å
329A97.6Very high93.5Very high11 Ų1127.8 Ų27.89%0.09115%0.153CC..Hα-helixtrans-70.8-16.4179.600000114.2L201 P325 L326 L327 C356L201-A329 HydrophobicContact CB-CB 3.59Å; P325-A329 WeakPolarHBondContact O-CB 3.28Å; P325-A329 PolarHBondContact O-N 2.86Å; L326-A329 PolarHBondContact O-N 3.46Å; L327-A329 VanDerWaalsContact C-N 3.29Å; L327-A329 PolarHBondContact O-N 3.13Å; A329-C356 HydrophobicContact CB-CB 4.15Å
330C98.1Very high93.8Very high2 Ų227.2 Ų27.21%0.01415%0.151CC..Hα-helixtrans-92.1-21.8174.4-66.50000113.4F209 L210 L326 L327 L328F209-C330 HydrophobicContact CD1-CB 4.44Å; L210-C330 HydrophobicContact CD1-CB 4.38Å; L210-C330 HydrophobicContact CD2-CB 4.06Å; L210-C330 HydrophobicContact CG-CB 4.25Å; L326-C330 PolarHBondContact O-N 2.86Å; L326-C330 VanDerWaalsContact O-N 3.1Å; L326-C330 PolarHBondContact O-SG 3.32Å; L327-C330 PolarHBondContact O-N 3.1Å; L327-C330 VanDerWaalsContact O-N 3.11Å; L328-C330 PolarHBondContact O-N 3.47Å
331A98.2Very high93.9Very high4 Ų424 Ų243%0.03314%0.139CC..  trans-68.5158.7-177.500000112.3I247 L249 L327 L328 L358I247-A331 HydrophobicContact CG2-CB 3.96Å; L249-A331 HydrophobicContact CB-CB 3.74Å; L249-A331 HydrophobicContact CD2-CB 3.81Å; L249-A331 HydrophobicContact CG-CB 4.46Å; L327-A331 PolarHBondContact O-N 3.36Å; L327-A331 VanDerWaalsContact O-N 3.07Å; L328-A331 PolarHBondContact O-N 2.97Å; A331-L358 HydrophobicContact CB-CD1 3.82Å; A331-L358 HydrophobicContact CB-CD2 3.84Å; A331-L358 WeakPolarHBondContact O-CD1 3.44Å
332D97.6Very high94.4Very high0 Ų021.2 Ų21.20%012%0.115CC..SBendtrans-96-44.4178.5-66.7-65.5000111.9R244 I247 L358 F398 R409R244-D332 IonicContact CZ-OD1 2.67Å; R244-D332 IonicContact CZ-OD2 2.95Å; R244-D332 IonicContact NH1-OD1 3.59Å; R244-D332 PolarHBondContact NH1-OD1 2.47Å; R244-D332 IonicContact NH1-OD2 3.12Å; R244-D332 PolarHBondContact NH1-OD2 3.46Å; R244-D332 IonicContact NH2-OD1 3.54Å; R244-D332 PolarHBondContact NH2-OD1 2.59Å; R244-D332 IonicContact NH2-OD2 2.78Å; I247-D332 PolarHBondContact N-OD2 2.44Å; I247-D332 PolarHBondContact O-N 3.37Å; D332-L358 VanDerWaalsContact C-CD1 3.43Å; D332-L358 WeakPolarHBondContact O-CD1 3.36Å; D332-F398 HydrophobicContact CB-CE2 4.11Å; D332-F398 HydrophobicContact CB-CZ 4.35Å; D332-F398 WeakPolarHBondContact OD2-CZ 3.4Å; D332-R409 PolarHBondContact O-NH2 2.93Å; D332-R409 VanDerWaalsContact O-NH2 3.16Å; D332-R409 IonicContact OD1-NH2 3.14Å
333V98.1Very high94.7Very high1 Ų115.3 Ų15.31%0.0069%0.09CC..EExtended strand (participates in β ladder)trans-134.3130.8178.8-1800000109I247 L248 L249 L361 V394 L395 L405I247-V333 PolarHBondContact O-N 3.33Å; L248-V333 WeakPolarHBondContact CA-O 3.29Å; L248-V333 HydrophobicContact CD1-CB 3.85Å; L248-V333 HydrophobicContact CD1-CG1 3.73Å; L249-V333 PolarHBondContact N-O 2.81Å; V333-L361 HydrophobicContact CG1-CD1 4.06Å; V333-L361 HydrophobicContact CG1-CG 3.83Å; V333-V394 HydrophobicContact CG2-CG1 4.05Å; V333-L395 HydrophobicContact CG2-CD2 4.12Å; V333-L405 HydrophobicContact CG2-CD1 3.91Å; V333-L405 HydrophobicContact CG2-CD2 4.33Å
334G98.2Very high94.9Very high0 Ų014.6 Ų14.60%09%0.087CC..EExtended strand (participates in β ladder)trans-89.4150.5169.200000111.3L249 P359 V360 L361L249-G334 CarbonylContact O-C 3.49Å; L249-G334 WeakPolarHBondContact O-CA 3.33Å; G334-P359 PolarHBondContact N-O 3.32Å; G334-V360 CarbonylContact O-C 3.56Å; G334-V360 VanDerWaalsContact O-CA 3.29Å; G334-V360 WeakPolarHBondContact O-CA 3.47Å; G334-L361 PolarHBondContact O-N 2.86Å
335L97.2Very high94.9Very high1 Ų113.6 Ų13.61%0.0059%0.085CC..EExtended strand (participates in β ladder)trans-130.3126.3178.2176.571.4000110.4L248 L249 T250 L263 L337 L361 F381 L387L248-L335 HydrophobicContact CD1-CB 4.17Å; L249-L335 PolarHBondContact O-N 3.35Å; T250-L335 WeakPolarHBondContact CB-O 3.44Å; T250-L335 PolarHBondContact OG1-O 3.07Å; L263-L335 HydrophobicContact CD1-CD2 3.49Å; L263-L335 VanDerWaalsContact CD1-CD2 3.49Å; L263-L335 HydrophobicContact CD2-CD2 4.05Å; L263-L335 HydrophobicContact CG-CD2 4.32Å; L335-L337 HydrophobicContact CD1-CD2 4.31Å; L335-L337 HydrophobicContact CD2-CD1 4.24Å; L335-L337 HydrophobicContact CD2-CD2 4.17Å; L335-L337 HydrophobicContact CD2-CG 4.06Å; L335-L337 HydrophobicContact CG-CD2 4.32Å; L335-L337 HydrophobicContact CG-CG 4.16Å; L335-L361 WeakPolarHBondContact CA-O 3.31Å; L335-L361 HydrophobicContact CD1-CB 4.13Å; L335-F381 HydrophobicContact CD1-CE1 3.79Å; L335-F381 HydrophobicContact CD1-CZ 3.89Å; L335-L387 HydrophobicContact CD1-CD1 3.74Å; L335-L387 HydrophobicContact CD1-CD2 4.05Å
336S95.4Very high94.8Very high1 Ų113.8 Ų13.81%0.0079%0.085CC..EExtended strand (participates in β ladder)trans-115.2107.9172.1-178.40000111.1H338 V350 L361 A362 L363S336-H338 VanDerWaalsContact C-N 3.35Å; S336-V350 VanDerWaalsContact CB-CG2 3.49Å; S336-L361 PolarHBondContact N-O 3.11Å; S336-A362 WeakPolarHBondContact O-CA 3.26Å; S336-L363 PolarHBondContact O-N 3.38Å
337L92.9Very high94.5Very high2 Ų210.9 Ų10.91%0.017%0.07CC..  trans-91.21.8172.2-60.7169000113F260 L262 L263 L335 S339 F381F260-L337 HydrophobicContact CE1-CD1 4.48Å; L262-L337 HydrophobicContact CD2-CD2 4.13Å; L263-L337 HydrophobicContact CB-CD1 3.85Å; L263-L337 HydrophobicContact CB-CD2 4.41Å; L263-L337 HydrophobicContact CD2-CD1 3.97Å; L263-L337 HydrophobicContact CG-CD1 4.44Å; L335-L337 HydrophobicContact CD1-CD2 4.31Å; L335-L337 HydrophobicContact CD2-CD1 4.24Å; L335-L337 HydrophobicContact CD2-CD2 4.17Å; L335-L337 HydrophobicContact CD2-CG 4.06Å; L335-L337 HydrophobicContact CG-CD2 4.32Å; L335-L337 HydrophobicContact CG-CG 4.16Å; L337-S339 PolarHBondContact O-N 3.3Å; L337-F381 HydrophobicContact CD2-CE2 4.39Å; L337-F381 HydrophobicContact CD2-CZ 4.01Å
338H88.2Confident94.1Very high26 Ų2613.6 Ų13.612%0.128%0.084CC..BIsolated β-bridgetrans-71130.2-177.1174.173.2000110.6D257 S336 P347D257-H338 IonicContact OD2-CE1 3.3Å; D257-H338 IonicContact OD2-ND1 2.91Å; D257-H338 PolarHBondContact OD2-ND1 3.05Å; S336-H338 VanDerWaalsContact C-N 3.35Å; H338-P347 HydrophobicContact CB-CB 4.31Å
339S87.5Confident93.9Very high46 Ų4615 Ų1532%0.3229%0.089SC..  trans-113.8128.9167.9-169.50000110.3L337 T341L337-S339 PolarHBondContact O-N 3.3Å; S339-T341 PolarHBondContact O-N 3.34Å
340S90.7Very high93.8Very high10 Ų1014.5 Ų14.57%0.079%0.085CC..  trans-65.1125.7179.3163.60000111.4S342 G343 L344 D345S340-S342 PolarHBondContact O-N 2.93Å; S340-S342 PolarHBondContact OG-N 3.33Å; S340-S342 PolarHBondContact OG-OG 3.47Å; S340-G343 PolarHBondContact O-N 3.01Å; S340-G343 VanDerWaalsContact O-N 3.15Å; S340-G343 VanDerWaalsContact OG-CA 3.26Å; S340-G343 WeakPolarHBondContact OG-CA 3.36Å; S340-G343 PolarHBondContact OG-N 3.08Å; S340-L344 PolarHBondContact OG-N 3.13Å; S340-L344 VanDerWaalsContact OG-N 3.09Å; S340-D345 WeakPolarHBondContact CB-O 3.29Å; S340-D345 VanDerWaalsContact CB-OD1 3.26Å; S340-D345 WeakPolarHBondContact CB-OD1 3.31Å; S340-D345 PolarHBondContact OG-N 3.27Å; S340-D345 PolarHBondContact OG-OD1 2.88Å
341T88.6Confident93.7Very high41 Ų4114.5 Ų14.525%0.2529%0.085SC..SBendtrans-63.8-26.7177.877.60000113.2N134 Q142 S339N134-T341 PolarHBondContact ND2-OG1 3.43Å; N134-T341 PolarHBondContact OD1-OG1 3.27Å; Q142-T341 HydrophobicContact CG-CG2 4.37Å; S339-T341 PolarHBondContact O-N 3.34Å
342S91.4Very high93.6Very high23 Ų2315.6 Ų15.616%0.1619%0.09CC..SBendtrans-97-15.6177.665.70000113.1N134 S340 L344 D345N134-S342 WeakPolarHBondContact OD1-CB 3.42Å; N134-S342 PolarHBondContact OD1-OG 2.87Å; S340-S342 PolarHBondContact O-N 2.93Å; S340-S342 PolarHBondContact OG-N 3.33Å; S340-S342 PolarHBondContact OG-OG 3.47Å; S342-L344 PolarHBondContact O-N 3.49Å; S342-L344 WeakPolarHBondContact OG-CB 3.36Å; S342-L344 PolarHBondContact OG-N 2.91Å; S342-D345 PolarHBondContact OG-OD1 3.27Å; S342-D345 VanDerWaalsContact OG-OD1 3.09Å
343G94.1Very high93.6Very high11 Ų1115.6 Ų15.611%0.1139%0.09CC..SBendtrans72.10.8-163.400000114.5S340 Q366 A367S340-G343 PolarHBondContact O-N 3.01Å; S340-G343 VanDerWaalsContact O-N 3.15Å; S340-G343 VanDerWaalsContact OG-CA 3.26Å; S340-G343 WeakPolarHBondContact OG-CA 3.36Å; S340-G343 PolarHBondContact OG-N 3.08Å; G343-Q366 WeakPolarHBondContact O-CB 3.44Å; G343-A367 WeakPolarHBondContact O-CB 3.33Å; G343-A367 PolarHBondContact O-N 3.29Å
344L96.4Very high93.5Very high12 Ų1215.8 Ų15.86%0.0639%0.091CC..  trans-115.6-11.7-167.2-57.4170000114.5Y135 T172 A174 M175 D178 S340 S342Y135-L344 HydrophobicContact CE2-CD1 3.61Å; T172-L344 WeakPolarHBondContact CB-O 3.19Å; T172-L344 WeakPolarHBondContact CG2-O 3.4Å; T172-L344 PolarHBondContact OG1-O 2.67Å; A174-L344 HydrophobicContact CB-CD2 3.83Å; M175-L344 HydrophobicContact CB-CB 4.12Å; M175-L344 HydrophobicContact CE-CB 3.99Å; D178-L344 HydrophobicContact CB-CD1 3.79Å; S340-L344 PolarHBondContact OG-N 3.13Å; S340-L344 VanDerWaalsContact OG-N 3.09Å; S342-L344 PolarHBondContact O-N 3.49Å; S342-L344 WeakPolarHBondContact OG-CB 3.36Å; S342-L344 PolarHBondContact OG-N 2.91Å
345D94.2Very high93.5Very high20 Ų2016.5 Ų16.511%0.10710%0.098CC..  trans-102.3156.4177.861.3-58.7000112.6H133 N134 V171 M175 S340 S342 F365H133-D345 WeakPolarHBondContact O-CB 3.49Å; N134-D345 PolarHBondContact ND2-OD1 3.47Å; N134-D345 PolarHBondContact ND2-OD2 3.42Å; V171-D345 HydrophobicContact CG2-CB 4.04Å; M175-D345 HydrophobicContact CE-CB 4.21Å; S340-D345 WeakPolarHBondContact CB-O 3.29Å; S340-D345 VanDerWaalsContact CB-OD1 3.26Å; S340-D345 WeakPolarHBondContact CB-OD1 3.31Å; S340-D345 PolarHBondContact OG-N 3.27Å; S340-D345 PolarHBondContact OG-OD1 2.88Å; S342-D345 PolarHBondContact OG-OD1 3.27Å; S342-D345 VanDerWaalsContact OG-OD1 3.09Å; D345-F365 WeakPolarHBondContact O-CE2 3.42Å; D345-F365 WeakPolarHBondContact O-CZ 3.39Å
346L93.1Very high93.5Very high13 Ų1316.7 Ų16.77%0.06810%0.1CC..  trans-105.6147.6-176.3-70.7170.2000111.4T172 M348 F365 A367 E370 L371T172-L346 HydrophobicContact CG2-CB 4.48Å; T172-L346 HydrophobicContact CG2-CD1 3.6Å; T172-L346 HydrophobicContact CG2-CD2 4.35Å; T172-L346 HydrophobicContact CG2-CG 3.47Å; T172-L346 VanDerWaalsContact CG2-CG 3.47Å; L346-M348 PolarHBondContact O-N 2.82Å; L346-F365 HydrophobicContact CD2-CZ 4.32Å; L346-A367 VanDerWaalsContact CD2-O 3.26Å; L346-A367 WeakPolarHBondContact CD2-O 3.11Å; L346-E370 HydrophobicContact CD1-CB 4.4Å; L346-L371 HydrophobicContact CB-CD2 4.25Å; L346-L371 HydrophobicContact CD1-CB 3.94Å; L346-L371 HydrophobicContact CD2-CB 3.73Å; L346-L371 HydrophobicContact CD2-CD2 4.5Å; L346-L371 HydrophobicContact CG-CB 4.33Å
347P91.1Very high93.5Very high4 Ų417 Ų173%0.02610%0.103CC..  trans-70104.7174.428.7-36.1000110.5H338 K349 V350 F365 L368 L371H338-P347 HydrophobicContact CB-CB 4.31Å; P347-K349 HydrophobicContact CB-CG 4.09Å; P347-K349 PolarHBondContact O-N 2.78Å; P347-K349 VanDerWaalsContact O-N 3.08Å; P347-V350 HydrophobicContact CB-CG2 3.91Å; P347-V350 HydrophobicContact CG-CB 4.02Å; P347-V350 HydrophobicContact CG-CG2 3.51Å; P347-V350 WeakPolarHBondContact O-CB 3.37Å; P347-V350 PolarHBondContact O-N 2.81Å; P347-F365 HydrophobicContact CG-CE1 4.46Å; P347-L368 HydrophobicContact CG-CD1 4.29Å; P347-L371 HydrophobicContact CG-CD2 4.43Å
348M90.4Very high93.7Very high57 Ų5717 Ų1728%0.28110%0.103SC..Hα-helixtrans-53.6-32.2176-64.8-176.573.800112.8P24 R25 D192 L346 V350 V351 D352P24-M348 HydrophobicContact CG-CE 3.98Å; R25-M348 HydrophobicContact CB-CE 4.22Å; D192-M348 WeakPolarHBondContact OD2-CG 3.35Å; L346-M348 PolarHBondContact O-N 2.82Å; M348-V350 PolarHBondContact O-N 2.77Å; M348-V351 VanDerWaalsContact O-CB 3.31Å; M348-V351 WeakPolarHBondContact O-CB 3.42Å; M348-V351 PolarHBondContact O-N 2.92Å; M348-V351 VanDerWaalsContact O-N 3.08Å; M348-D352 PolarHBondContact O-N 2.86Å; M348-D352 VanDerWaalsContact O-N 3.15Å
349K92.2Very high94.2Very high30 Ų3015.7 Ų15.713%0.1310%0.097CC..Hα-helixtrans-56.8-33.8175.369.4-174.8751720113S251 E258 P347 D352 M353S251-K349 WeakPolarHBondContact O-CD 3.35Å; S251-K349 VanDerWaalsContact O-CE 3.25Å; S251-K349 WeakPolarHBondContact O-CE 3.47Å; S251-K349 PolarHBondContact O-NZ 3.09Å; E258-K349 IonicContact OE1-NZ 2.8Å; E258-K349 PolarHBondContact OE1-NZ 2.92Å; P347-K349 HydrophobicContact CB-CG 4.09Å; P347-K349 PolarHBondContact O-N 2.78Å; P347-K349 VanDerWaalsContact O-N 3.08Å; K349-D352 PolarHBondContact O-N 2.86Å; K349-M353 WeakPolarHBondContact O-CG 3.46Å; K349-M353 PolarHBondContact O-N 2.97Å
350V96.3Very high94.7Very high0 Ų013.5 Ų13.50%08%0.081CC..Hα-helixtrans-73.2-35.6179.4176.30000110.7S336 P347 M348 D352 M353 F354 V360 L371 V372S336-V350 VanDerWaalsContact CB-CG2 3.49Å; P347-V350 HydrophobicContact CB-CG2 3.91Å; P347-V350 HydrophobicContact CG-CB 4.02Å; P347-V350 HydrophobicContact CG-CG2 3.51Å; P347-V350 WeakPolarHBondContact O-CB 3.37Å; P347-V350 PolarHBondContact O-N 2.81Å; M348-V350 PolarHBondContact O-N 2.77Å; V350-D352 VanDerWaalsContact C-N 3.31Å; V350-D352 PolarHBondContact O-N 2.94Å; V350-M353 PolarHBondContact O-N 3.05Å; V350-F354 HydrophobicContact CG1-CD1 4.32Å; V350-F354 HydrophobicContact CG1-CD2 4.23Å; V350-F354 HydrophobicContact CG1-CE1 4.13Å; V350-F354 HydrophobicContact CG1-CE2 4.02Å; V350-F354 HydrophobicContact CG1-CG 4.39Å; V350-F354 HydrophobicContact CG1-CZ 3.98Å; V350-F354 WeakPolarHBondContact O-CB 3.48Å; V350-F354 WeakPolarHBondContact O-CG 3.48Å; V350-F354 PolarHBondContact O-N 2.81Å; V350-V360 HydrophobicContact CG1-CB 4.42Å; V350-V360 HydrophobicContact CG1-CG1 4.38Å; V350-V360 HydrophobicContact CG1-CG2 4.25Å; V350-V360 HydrophobicContact CG2-CG1 4.05Å; V350-L371 HydrophobicContact CB-CD2 3.75Å; V350-L371 HydrophobicContact CG1-CD2 3.75Å; V350-L371 HydrophobicContact CG1-CG 4.03Å; V350-V372 HydrophobicContact CG1-CG2 3.66Å
351V96Very high95.1Very high2 Ų213 Ų131%0.0128%0.078CC..Hα-helixtrans-59.4-45.3173.1179.40000110.5D192 P194 M348 F354 G355 L371 L417D192-V351 HydrophobicContact CB-CG1 4.45Å; D192-V351 HydrophobicContact CB-CG2 4.04Å; P194-V351 HydrophobicContact CB-CG1 4.47Å; P194-V351 VanDerWaalsContact N-CG1 3.33Å; M348-V351 VanDerWaalsContact O-CB 3.31Å; M348-V351 WeakPolarHBondContact O-CB 3.42Å; M348-V351 PolarHBondContact O-N 2.92Å; M348-V351 VanDerWaalsContact O-N 3.08Å; V351-F354 PolarHBondContact O-N 3.37Å; V351-G355 PolarHBondContact O-N 2.73Å; V351-L371 HydrophobicContact CG2-CD1 3.94Å; V351-L371 HydrophobicContact CG2-CD2 3.72Å; V351-L417 HydrophobicContact CG1-CD1 4.29Å
352D95.5Very high95.5Very high27 Ų2711.1 Ų11.114%0.1447%0.066CC..Hα-helixtrans-63.9-43.9176.7-66-16.5000111.9F198 Y324 L328 M348 K349 V350 G355 C356F198-D352 HydrophobicContact CD1-CB 3.61Å; F198-D352 HydrophobicContact CE1-CB 3.52Å; F198-D352 HydrophobicContact CG-CB 4.24Å; F198-D352 HydrophobicContact CZ-CB 4.09Å; Y324-D352 HydrophobicContact CE1-CB 4.47Å; L328-D352 HydrophobicContact CD1-CB 3.86Å; M348-D352 PolarHBondContact O-N 2.86Å; M348-D352 VanDerWaalsContact O-N 3.15Å; K349-D352 PolarHBondContact O-N 2.86Å; V350-D352 VanDerWaalsContact C-N 3.31Å; V350-D352 PolarHBondContact O-N 2.94Å; D352-G355 PolarHBondContact O-N 3.09Å; D352-C356 PolarHBondContact O-N 2.86Å; D352-C356 VanDerWaalsContact O-N 3.13Å
353M97.7Very high95.7Very high0 Ų011.1 Ų11.10%06%0.064CC..Hα-helixtrans-60.2-47.8176.4-69.3173.1-177.700111.3L328 K349 V350 G355 C356 G357 L358 V360L328-M353 HydrophobicContact CD2-CE 4.26Å; L328-M353 HydrophobicContact CD2-CG 3.66Å; K349-M353 WeakPolarHBondContact O-CG 3.46Å; K349-M353 PolarHBondContact O-N 2.97Å; V350-M353 PolarHBondContact O-N 3.05Å; M353-G355 VanDerWaalsContact C-N 3.32Å; M353-G355 PolarHBondContact O-N 3Å; M353-C356 CarbonylContact O-C 3.55Å; M353-C356 PolarHBondContact O-N 3.41Å; M353-C356 VanDerWaalsContact O-N 3.08Å; M353-G357 PolarHBondContact O-N 3Å; M353-L358 HydrophobicContact CB-CB 4.14Å; M353-L358 HydrophobicContact CB-CD2 4.12Å; M353-L358 HydrophobicContact CB-CG 4.39Å; M353-L358 HydrophobicContact CG-CD2 3.9Å; M353-L358 VanDerWaalsContact O-CB 3.3Å; M353-L358 WeakPolarHBondContact O-CB 3.29Å; M353-L358 PolarHBondContact O-N 3.07Å; M353-L358 HydrophobicContact SD-CD2 4.46Å; M353-V360 HydrophobicContact CB-CG2 3.66Å; M353-V360 HydrophobicContact CG-CG2 4.21Å; M353-V360 HydrophobicContact SD-CG1 4.46Å; M353-V360 HydrophobicContact SD-CG2 3.56Å; M353-V360 VanDerWaalsContact SD-CG2 3.56Å
354F97.5Very high95.8Very high6 Ų613.5 Ų13.53%0.0267%0.074CC..Hα-helixtrans-63.5-36.7176.4-75.1-0.6000112.3V350 V351 C356 G357 L358 V360 L371 V372 D377 L412 L417V350-F354 HydrophobicContact CG1-CD1 4.32Å; V350-F354 HydrophobicContact CG1-CD2 4.23Å; V350-F354 HydrophobicContact CG1-CE1 4.13Å; V350-F354 HydrophobicContact CG1-CE2 4.02Å; V350-F354 HydrophobicContact CG1-CG 4.39Å; V350-F354 HydrophobicContact CG1-CZ 3.98Å; V350-F354 WeakPolarHBondContact O-CB 3.48Å; V350-F354 WeakPolarHBondContact O-CG 3.48Å; V350-F354 PolarHBondContact O-N 2.81Å; V351-F354 PolarHBondContact O-N 3.37Å; F354-C356 PolarHBondContact O-N 2.91Å; F354-G357 PolarHBondContact O-N 3.11Å; F354-L358 WeakPolarHBondContact CD1-O 3.27Å; F354-V360 HydrophobicContact CD1-CG2 4.02Å; F354-V360 HydrophobicContact CE1-CB 3.88Å; F354-V360 HydrophobicContact CE1-CG2 3.72Å; F354-L371 HydrophobicContact CD2-CD1 4.22Å; F354-L371 HydrophobicContact CE2-CD1 4.43Å; F354-L371 HydrophobicContact CE2-CG 4.49Å; F354-L371 WeakPolarHBondContact CE2-O 3.37Å; F354-V372 HydrophobicContact CE2-CG2 4.3Å; F354-V372 HydrophobicContact CZ-CG2 4.06Å; F354-D377 HydrophobicContact CE1-CB 4.47Å; F354-D377 HydrophobicContact CE2-CB 4.25Å; F354-D377 HydrophobicContact CZ-CB 3.95Å; F354-L412 HydrophobicContact CB-CD2 4.03Å; F354-L412 HydrophobicContact CD1-CD1 4.02Å; F354-L412 HydrophobicContact CD1-CD2 3.76Å; F354-L412 HydrophobicContact CD2-CD2 4.1Å; F354-L412 HydrophobicContact CE1-CD1 4.29Å; F354-L412 HydrophobicContact CE1-CD2 4.15Å; F354-L412 HydrophobicContact CE2-CD2 4.47Å; F354-L412 HydrophobicContact CG-CD2 3.72Å; F354-L412 HydrophobicContact CZ-CD2 4.49Å; F354-L417 HydrophobicContact CB-CD1 3.72Å; F354-L417 HydrophobicContact CB-CG 4.29Å; F354-L417 HydrophobicContact CD2-CD1 4.13Å; F354-L417 HydrophobicContact CG-CD1 4.47Å
355G96.6Very high95.7Very high14 Ų1413.7 Ų13.714%0.1448%0.075CC..Hα-helixtrans-56.3-39171.100000112.8F198 A199 P200 V351 D352 M353 G357F198-G355 CarbonylContact C-O 3.44Å; F198-G355 CarbonylContact O-C 3.56Å; F198-G355 VanDerWaalsContact O-C 3.26Å; F198-G355 VanDerWaalsContact O-O 3.04Å; A199-G355 WeakPolarHBondContact CA-O 3.41Å; P200-G355 WeakPolarHBondContact CD-O 3.42Å; V351-G355 PolarHBondContact O-N 2.73Å; D352-G355 PolarHBondContact O-N 3.09Å; M353-G355 VanDerWaalsContact C-N 3.32Å; M353-G355 PolarHBondContact O-N 3Å; G355-G357 VanDerWaalsContact C-N 3.26Å; G355-G357 PolarHBondContact O-N 3.37Å
356C97.1Very high95.7Very high6 Ų619.7 Ų19.74%0.04110%0.102CC..THydrogen-bonded Turntrans-81.54.3175-66.10000114.6P325 L328 A329 D352 M353 F354 L358P325-C356 PolarHBondContact O-SG 3.45Å; L328-C356 HydrophobicContact CB-CB 3.86Å; A329-C356 HydrophobicContact CB-CB 4.15Å; D352-C356 PolarHBondContact O-N 2.86Å; D352-C356 VanDerWaalsContact O-N 3.13Å; M353-C356 CarbonylContact O-C 3.55Å; M353-C356 PolarHBondContact O-N 3.41Å; M353-C356 VanDerWaalsContact O-N 3.08Å; F354-C356 PolarHBondContact O-N 2.91Å; C356-L358 VanDerWaalsContact C-N 3.27Å; C356-L358 PolarHBondContact O-N 3.36Å
357G96.4Very high95.8Very high6 Ų619.2 Ų19.26%0.06210%0.1CC..THydrogen-bonded Turntrans68.723.9-175.900000113.6M353 F354 G355 P359M353-G357 PolarHBondContact O-N 3Å; F354-G357 PolarHBondContact O-N 3.11Å; G355-G357 VanDerWaalsContact C-N 3.26Å; G355-G357 PolarHBondContact O-N 3.37Å; G357-P359 WeakPolarHBondContact O-CD 2.98Å
358L97.7Very high96.1Very high2 Ų219 Ų191%0.0110%0.099CC..  trans-91.6113.1179.9179.862.8000110.2L249 L328 A331 D332 M353 F354 C356L249-L358 HydrophobicContact CD2-CD2 4.34Å; L328-L358 HydrophobicContact CD2-CD2 4.31Å; A331-L358 HydrophobicContact CB-CD1 3.82Å; A331-L358 HydrophobicContact CB-CD2 3.84Å; A331-L358 WeakPolarHBondContact O-CD1 3.44Å; D332-L358 VanDerWaalsContact C-CD1 3.43Å; D332-L358 WeakPolarHBondContact O-CD1 3.36Å; M353-L358 HydrophobicContact CB-CB 4.14Å; M353-L358 HydrophobicContact CB-CD2 4.12Å; M353-L358 HydrophobicContact CB-CG 4.39Å; M353-L358 HydrophobicContact CG-CD2 3.9Å; M353-L358 VanDerWaalsContact O-CB 3.3Å; M353-L358 WeakPolarHBondContact O-CB 3.29Å; M353-L358 PolarHBondContact O-N 3.07Å; M353-L358 HydrophobicContact SD-CD2 4.46Å; F354-L358 WeakPolarHBondContact CD1-O 3.27Å; C356-L358 VanDerWaalsContact C-N 3.27Å; C356-L358 PolarHBondContact O-N 3.36Å
359P97.7Very high96.4Very high0 Ų019.7 Ų19.70%011%0.107CC..  trans-65.5147.9173.8-19.633.8000112.1G334 G357 L405 M408 R409 L412G334-P359 PolarHBondContact N-O 3.32Å; G357-P359 WeakPolarHBondContact O-CD 2.98Å; P359-L405 HydrophobicContact CB-CD1 4.21Å; P359-L405 HydrophobicContact CG-CD1 3.93Å; P359-M408 HydrophobicContact CB-CB 3.87Å; P359-M408 HydrophobicContact CB-CE 3.24Å; P359-M408 HydrophobicContact CG-CB 3.99Å; P359-M408 HydrophobicContact CG-CE 4.3Å; P359-R409 HydrophobicContact CG-CB 3.89Å; P359-L412 HydrophobicContact CB-CD1 4.26Å; P359-L412 HydrophobicContact CG-CD1 4.02Å
360V98Very high96.5Very high0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-124.4140.1-169.9176.20000112.6G334 V350 M353 F354 A362 G378 M379G334-V360 CarbonylContact O-C 3.56Å; G334-V360 VanDerWaalsContact O-CA 3.29Å; G334-V360 WeakPolarHBondContact O-CA 3.47Å; V350-V360 HydrophobicContact CG1-CB 4.42Å; V350-V360 HydrophobicContact CG1-CG1 4.38Å; V350-V360 HydrophobicContact CG1-CG2 4.25Å; V350-V360 HydrophobicContact CG2-CG1 4.05Å; M353-V360 HydrophobicContact CB-CG2 3.66Å; M353-V360 HydrophobicContact CG-CG2 4.21Å; M353-V360 HydrophobicContact SD-CG1 4.46Å; M353-V360 HydrophobicContact SD-CG2 3.56Å; M353-V360 VanDerWaalsContact SD-CG2 3.56Å; F354-V360 HydrophobicContact CD1-CG2 4.02Å; F354-V360 HydrophobicContact CE1-CB 3.88Å; F354-V360 HydrophobicContact CE1-CG2 3.72Å; V360-A362 HydrophobicContact CG1-CB 4.15Å; V360-G378 CarbonylContact O-C 3.57Å; V360-G378 WeakPolarHBondContact O-CA 3.48Å; V360-M379 PolarHBondContact O-N 3.21Å
361L98.2Very high96.6Very high0 Ų021.2 Ų21.20%012%0.115CC..EExtended strand (participates in β ladder)trans-95.8123.9159.2-53.3-178.1000108.3V333 G334 L335 S336 M379 F381 L387 H390 L391 V394V333-L361 HydrophobicContact CG1-CD1 4.06Å; V333-L361 HydrophobicContact CG1-CG 3.83Å; G334-L361 PolarHBondContact O-N 2.86Å; L335-L361 WeakPolarHBondContact CA-O 3.31Å; L335-L361 HydrophobicContact CD1-CB 4.13Å; S336-L361 PolarHBondContact N-O 3.11Å; L361-M379 CarbonylContact C-O 3.59Å; L361-M379 WeakPolarHBondContact CA-O 3.46Å; L361-M379 HydrophobicContact CD2-CB 3.72Å; L361-M379 HydrophobicContact CD2-CG 4.17Å; L361-M379 HydrophobicContact CD2-SD 4.41Å; L361-F381 HydrophobicContact CB-CD1 4.23Å; L361-F381 HydrophobicContact CB-CE1 4.1Å; L361-L387 HydrophobicContact CB-CD1 4.06Å; L361-L387 HydrophobicContact CD1-CD1 3.73Å; L361-H390 HydrophobicContact CD1-CB 4.19Å; L361-H390 HydrophobicContact CD2-CB 4.02Å; L361-L391 HydrophobicContact CD1-CD2 3.63Å; L361-L391 HydrophobicContact CD1-CG 3.82Å; L361-V394 HydrophobicContact CD2-CG2 4.42Å
362A97.1Very high96.6Very high0 Ų021.1 Ų21.10%012%0.115CC..EExtended strand (participates in β ladder)trans-128.4136.5-173.200000113.2S336 V360 N364 L368 V372 M379 I380 F381S336-A362 WeakPolarHBondContact O-CA 3.26Å; V360-A362 HydrophobicContact CG1-CB 4.15Å; A362-N364 PolarHBondContact O-N 3.49Å; A362-L368 HydrophobicContact CB-CD1 4.08Å; A362-L368 HydrophobicContact CB-CD2 3.87Å; A362-V372 HydrophobicContact CB-CG2 4.22Å; A362-M379 PolarHBondContact N-O 2.93Å; A362-I380 WeakPolarHBondContact O-CA 3.26Å; A362-F381 WeakPolarHBondContact O-CD1 2.97Å; A362-F381 PolarHBondContact O-N 3.45Å
363L95.9Very high96.6Very high24 Ų2424.2 Ų24.213%0.12613%0.128CC..EExtended strand (participates in β ladder)trans-67.2128.2174.9179.566000110.7L262 S336 F365 L368 F381L262-L363 HydrophobicContact CD1-CD1 4.2Å; S336-L363 PolarHBondContact O-N 3.38Å; L363-F365 WeakPolarHBondContact O-CD1 3.45Å; L363-L368 WeakPolarHBondContact O-CD2 3.49Å; L363-F381 CarbonylContact C-O 3.59Å; L363-F381 WeakPolarHBondContact CA-O 3.22Å; L363-F381 HydrophobicContact CB-CE2 3.87Å; L363-F381 HydrophobicContact CB-CZ 3.87Å; L363-F381 HydrophobicContact CD1-CD2 4.03Å; L363-F381 HydrophobicContact CD1-CE2 3.73Å; L363-F381 HydrophobicContact CG-CE2 4.4Å
364N96.3Very high96.6Very high60 Ų6028.1 Ų28.132%0.32115%0.149SC..  trans-62.8135.7-175.3-166.317.2000112.8A362 I380 F381 E382A362-N364 PolarHBondContact O-N 3.49Å; N364-I380 HydrophobicContact CB-CG2 3.52Å; N364-F381 WeakPolarHBondContact CB-O 3.48Å; N364-F381 PolarHBondContact N-O 2.94Å; N364-E382 HydrophobicContact CB-CG 3.87Å; N364-E382 PolarHBondContact ND2-OE1 2.96Å
365F94.2Very high96.4Very high17 Ų1731 Ų318%0.07517%0.169CC..  trans-158.1166.816466.4-90.4000109.7D345 L346 P347 L363 A367 L368D345-F365 WeakPolarHBondContact O-CE2 3.42Å; D345-F365 WeakPolarHBondContact O-CZ 3.39Å; L346-F365 HydrophobicContact CD2-CZ 4.32Å; P347-F365 HydrophobicContact CG-CE1 4.46Å; L363-F365 WeakPolarHBondContact O-CD1 3.45Å; F365-A367 HydrophobicContact CE2-CB 4.06Å; F365-A367 PolarHBondContact O-N 3.36Å; F365-L368 HydrophobicContact CD1-CB 3.91Å; F365-L368 HydrophobicContact CD2-CB 4.3Å; F365-L368 HydrophobicContact CE1-CB 3.67Å; F365-L368 HydrophobicContact CE1-CD1 3.73Å; F365-L368 HydrophobicContact CE1-CD2 4.48Å; F365-L368 HydrophobicContact CE1-CG 4.15Å; F365-L368 HydrophobicContact CE2-CB 4.04Å; F365-L368 VanDerWaalsContact CE2-N 3.31Å; F365-L368 HydrophobicContact CG-CB 4.21Å; F365-L368 HydrophobicContact CZ-CB 3.7Å; F365-L368 HydrophobicContact CZ-CD1 4Å; F365-L368 HydrophobicContact CZ-CG 4.44Å; F365-L368 VanDerWaalsContact O-CB 3.31Å; F365-L368 WeakPolarHBondContact O-CB 3.47Å; F365-L368 PolarHBondContact O-N 3.4Å
366Q94.1Very high96.3Very high146 Ų14634.5 Ų34.568%0.68218%0.184SC*.THydrogen-bonded Turntrans-51.1-47.8-165.7176.3-179.5-9.100115.8G343G343-Q366 WeakPolarHBondContact O-CB 3.44Å
367A96Very high96.2Very high2 Ų235 Ų352%0.01719%0.186CC..THydrogen-bonded Turntrans-89-6.5-177.900000114.4T172 A174 G343 L346 F365 P369 E370T172-A367 HydrophobicContact CG2-CB 4.38Å; A174-A367 HydrophobicContact CB-CB 4.16Å; G343-A367 WeakPolarHBondContact O-CB 3.33Å; G343-A367 PolarHBondContact O-N 3.29Å; L346-A367 VanDerWaalsContact CD2-O 3.26Å; L346-A367 WeakPolarHBondContact CD2-O 3.11Å; F365-A367 HydrophobicContact CE2-CB 4.06Å; F365-A367 PolarHBondContact O-N 3.36Å; A367-P369 VanDerWaalsContact C-N 3.31Å; A367-E370 WeakPolarHBondContact O-CB 3.41Å; A367-E370 PolarHBondContact O-N 3.31Å
368L96.4Very high96.2Very high0 Ų034.7 Ų34.70%018%0.183CC..G310 helixtrans-52.7-39.8-177.5-178.467000114P347 A362 L363 F365 E370 L371 V372 I380P347-L368 HydrophobicContact CG-CD1 4.29Å; A362-L368 HydrophobicContact CB-CD1 4.08Å; A362-L368 HydrophobicContact CB-CD2 3.87Å; L363-L368 WeakPolarHBondContact O-CD2 3.49Å; F365-L368 HydrophobicContact CD1-CB 3.91Å; F365-L368 HydrophobicContact CD2-CB 4.3Å; F365-L368 HydrophobicContact CE1-CB 3.67Å; F365-L368 HydrophobicContact CE1-CD1 3.73Å; F365-L368 HydrophobicContact CE1-CD2 4.48Å; F365-L368 HydrophobicContact CE1-CG 4.15Å; F365-L368 HydrophobicContact CE2-CB 4.04Å; F365-L368 VanDerWaalsContact CE2-N 3.31Å; F365-L368 HydrophobicContact CG-CB 4.21Å; F365-L368 HydrophobicContact CZ-CB 3.7Å; F365-L368 HydrophobicContact CZ-CD1 4Å; F365-L368 HydrophobicContact CZ-CG 4.44Å; F365-L368 VanDerWaalsContact O-CB 3.31Å; F365-L368 WeakPolarHBondContact O-CB 3.47Å; F365-L368 PolarHBondContact O-N 3.4Å; L368-E370 PolarHBondContact O-N 2.88Å; L368-L371 PolarHBondContact O-N 3.12Å; L368-V372 HydrophobicContact CD1-CB 4.09Å; L368-V372 HydrophobicContact CD1-CG2 3.72Å; L368-V372 HydrophobicContact CG-CB 4.16Å; L368-V372 HydrophobicContact CG-CG2 4.35Å; L368-V372 PolarHBondContact O-N 3.13Å; L368-I380 HydrophobicContact CD2-CD1 4Å; L368-I380 HydrophobicContact CD2-CG1 3.99Å; L368-I380 HydrophobicContact CD2-CG2 3.96Å; L368-I380 HydrophobicContact CG-CD1 4.4Å
369P96.5Very high96.2Very high71 Ų7135.1 Ų35.146%0.46119%0.185SC..G310 helixtrans-63.9-9.4180-24.636.8000115.4A367 V372A367-P369 VanDerWaalsContact C-N 3.31Å; P369-V372 WeakPolarHBondContact CA-O 3.44Å
370E96.3Very high96.2Very high57 Ų5736.3 Ų36.327%0.26619%0.191SC..G310 helixtrans-72.5-18.9169.1-69.3-169.9-145.900113.1T172 D173 A174 H191 L346 A367 L368T172-E370 WeakPolarHBondContact CA-OE2 3.22Å; T172-E370 VanDerWaalsContact CB-OE2 3.26Å; T172-E370 WeakPolarHBondContact CB-OE2 3.37Å; D173-E370 PolarHBondContact N-OE1 3.34Å; D173-E370 PolarHBondContact N-OE2 2.91Å; A174-E370 WeakPolarHBondContact CB-OE1 3.47Å; A174-E370 PolarHBondContact N-OE1 3.48Å; H191-E370 IonicContact CD2-OE2 3.16Å; H191-E370 IonicContact NE2-OE2 4Å; H191-E370 PolarHBondContact NE2-OE2 3.2Å; L346-E370 HydrophobicContact CD1-CB 4.4Å; A367-E370 WeakPolarHBondContact O-CB 3.41Å; A367-E370 PolarHBondContact O-N 3.31Å; L368-E370 PolarHBondContact O-N 2.88Å
371L96.5Very high96.2Very high6 Ų636.3 Ų36.33%0.03119%0.191CC..THydrogen-bonded Turntrans-115.5-52.5-179.3-18057.8000112.2L346 P347 V350 V351 F354 L368 L417L346-L371 HydrophobicContact CB-CD2 4.25Å; L346-L371 HydrophobicContact CD1-CB 3.94Å; L346-L371 HydrophobicContact CD2-CB 3.73Å; L346-L371 HydrophobicContact CD2-CD2 4.5Å; L346-L371 HydrophobicContact CG-CB 4.33Å; P347-L371 HydrophobicContact CG-CD2 4.43Å; V350-L371 HydrophobicContact CB-CD2 3.75Å; V350-L371 HydrophobicContact CG1-CD2 3.75Å; V350-L371 HydrophobicContact CG1-CG 4.03Å; V351-L371 HydrophobicContact CG2-CD1 3.94Å; V351-L371 HydrophobicContact CG2-CD2 3.72Å; F354-L371 HydrophobicContact CD2-CD1 4.22Å; F354-L371 HydrophobicContact CE2-CD1 4.43Å; F354-L371 HydrophobicContact CE2-CG 4.49Å; F354-L371 WeakPolarHBondContact CE2-O 3.37Å; L368-L371 PolarHBondContact O-N 3.12Å; L371-L417 HydrophobicContact CD1-CD1 4.35Å
372V97.2Very high96.1Very high0 Ų041.9 Ų41.90%022%0.218CC..  trans-100.3119.9-176.7-178.50000109.3V350 F354 A362 L368 P369 I380V350-V372 HydrophobicContact CG1-CG2 3.66Å; F354-V372 HydrophobicContact CE2-CG2 4.3Å; F354-V372 HydrophobicContact CZ-CG2 4.06Å; A362-V372 HydrophobicContact CB-CG2 4.22Å; L368-V372 HydrophobicContact CD1-CB 4.09Å; L368-V372 HydrophobicContact CD1-CG2 3.72Å; L368-V372 HydrophobicContact CG-CB 4.16Å; L368-V372 HydrophobicContact CG-CG2 4.35Å; L368-V372 PolarHBondContact O-N 3.13Å; P369-V372 WeakPolarHBondContact CA-O 3.44Å; V372-I380 HydrophobicContact CG1-CG1 4.06Å
373H96.3Very high96.1Very high91 Ų9144.6 Ų44.642%0.42123%0.232SC..  trans-98.9106.6178.2-53.490.6000108.7S375 I376 D377H373-S375 PolarHBondContact O-N 3.41Å; H373-I376 HydrophobicContact CB-CB 3.96Å; H373-I376 HydrophobicContact CB-CD1 4.16Å; H373-I376 HydrophobicContact CB-CG1 4.4Å; H373-I376 WeakPolarHBondContact O-CB 3.46Å; H373-I376 PolarHBondContact O-N 2.83Å; H373-D377 IonicContact CE1-OD2 3.03Å; H373-D377 IonicContact CG-OD2 3.97Å; H373-D377 PolarHBondContact N-OD1 2.85Å; H373-D377 IonicContact ND1-OD2 3.83Å; H373-D377 PolarHBondContact ND1-OD2 3.43Å; H373-D377 PolarHBondContact O-N 2.76Å
374D96.6Very high96.2Very high83 Ų8343.5 Ų43.544%0.44423%0.227SC..BIsolated β-bridgetrans-54.2132.4-172.3-171.342.7000112.8I376 G378 M379 I380D374-I376 PolarHBondContact O-N 3.36Å; D374-I376 VanDerWaalsContact O-N 3.13Å; D374-G378 CarbonylContact C-O 3.48Å; D374-M379 WeakPolarHBondContact OD1-CA 3.47Å; D374-I380 HydrophobicContact CB-CB 4.5Å; D374-I380 HydrophobicContact CB-CD1 3.97Å; D374-I380 HydrophobicContact CB-CG1 4.05Å; D374-I380 PolarHBondContact OD1-N 3.01Å
375S93.8Very high96.3Very high65 Ų6545 Ų4546%0.45523%0.232SC..THydrogen-bonded Turntrans59.910.3-174.9-580000115.8H373 G378 R411H373-S375 PolarHBondContact O-N 3.41Å; S375-G378 WeakPolarHBondContact CA-O 3.47Å; S375-G378 PolarHBondContact N-O 3.38Å; S375-R411 PolarHBondContact O-NH2 2.9Å
376I94.6Very high96.5Very high88 Ų8847.4 Ų47.445%0.45124%0.243SC..THydrogen-bonded Turntrans-107.5-72.1176.4-58.1-178.4000110.2H373 D374 M408 R411H373-I376 HydrophobicContact CB-CB 3.96Å; H373-I376 HydrophobicContact CB-CD1 4.16Å; H373-I376 HydrophobicContact CB-CG1 4.4Å; H373-I376 WeakPolarHBondContact O-CB 3.46Å; H373-I376 PolarHBondContact O-N 2.83Å; D374-I376 PolarHBondContact O-N 3.36Å; D374-I376 VanDerWaalsContact O-N 3.13Å; I376-M408 WeakPolarHBondContact O-CA 3.48Å; I376-M408 WeakPolarHBondContact O-CG 3.48Å; I376-R411 PolarHBondContact O-NE 2.98Å; I376-R411 PolarHBondContact O-NH2 2.89Å
377D93.8Very high96.7Very high17 Ų1740.4 Ų40.49%0.09121%0.21CC..THydrogen-bonded Turntrans-103.8-18.8-179.851.426.7000112.9F354 H373 L412F354-D377 HydrophobicContact CE1-CB 4.47Å; F354-D377 HydrophobicContact CE2-CB 4.25Å; F354-D377 HydrophobicContact CZ-CB 3.95Å; H373-D377 IonicContact CE1-OD2 3.03Å; H373-D377 IonicContact CG-OD2 3.97Å; H373-D377 PolarHBondContact N-OD1 2.85Å; H373-D377 IonicContact ND1-OD2 3.83Å; H373-D377 PolarHBondContact ND1-OD2 3.43Å; H373-D377 PolarHBondContact O-N 2.76Å; D377-L412 HydrophobicContact CB-CD2 3.69Å; D377-L412 HydrophobicContact CB-CG 4.02Å
378G97Very high96.8Very high0 Ų040.3 Ų40.30%021%0.21CC..EExtended strand (participates in β ladder)trans-153.5-175.6175.300000111.7V360 D374 S375V360-G378 CarbonylContact O-C 3.57Å; V360-G378 WeakPolarHBondContact O-CA 3.48Å; D374-G378 CarbonylContact C-O 3.48Å; S375-G378 WeakPolarHBondContact CA-O 3.47Å; S375-G378 PolarHBondContact N-O 3.38Å
379M97.9Very high96.8Very high10 Ų1044.2 Ų44.25%0.04923%0.23CC..EExtended strand (participates in β ladder)trans-128.8140.6170.8-55.3-178.876.500110.5V360 L361 A362 D374 H390 V394 M408V360-M379 PolarHBondContact O-N 3.21Å; L361-M379 CarbonylContact C-O 3.59Å; L361-M379 WeakPolarHBondContact CA-O 3.46Å; L361-M379 HydrophobicContact CD2-CB 3.72Å; L361-M379 HydrophobicContact CD2-CG 4.17Å; L361-M379 HydrophobicContact CD2-SD 4.41Å; A362-M379 PolarHBondContact N-O 2.93Å; D374-M379 WeakPolarHBondContact OD1-CA 3.47Å; M379-H390 VanDerWaalsContact CE-CE1 3.46Å; M379-H390 WeakPolarHBondContact CE-CE1 3.27Å; M379-H390 WeakPolarHBondContact CE-ND1 3.21Å; M379-H390 HydrophobicContact SD-CB 4.21Å; M379-V394 HydrophobicContact SD-CG2 3.51Å; M379-V394 VanDerWaalsContact SD-CG2 3.51Å; M379-M408 HydrophobicContact CG-SD 4.17Å
380I98Very high96.8Very high25 Ų2542.3 Ų42.313%0.12822%0.215CC..EExtended strand (participates in β ladder)trans-99.7134.5-177.5-57.3179.6000109.3A362 N364 L368 V372 D374 H390A362-I380 WeakPolarHBondContact O-CA 3.26Å; N364-I380 HydrophobicContact CB-CG2 3.52Å; L368-I380 HydrophobicContact CD2-CD1 4Å; L368-I380 HydrophobicContact CD2-CG1 3.99Å; L368-I380 HydrophobicContact CD2-CG2 3.96Å; L368-I380 HydrophobicContact CG-CD1 4.4Å; V372-I380 HydrophobicContact CG1-CG1 4.06Å; D374-I380 HydrophobicContact CB-CB 4.5Å; D374-I380 HydrophobicContact CB-CD1 3.97Å; D374-I380 HydrophobicContact CB-CG1 4.05Å; D374-I380 PolarHBondContact OD1-N 3.01Å; I380-H390 PolarHBondContact O-NE2 3.16Å
381F97.8Very high96.9Very high0 Ų039.6 Ų39.60%020%0.203CC..EExtended strand (participates in β ladder)trans-128.9158.4175.865-90.3000111.5L262 L335 L337 L361 A362 L363 N364 Q386 L387L262-F381 HydrophobicContact CD2-CD2 4.36Å; L262-F381 HydrophobicContact CD2-CE2 3.71Å; L335-F381 HydrophobicContact CD1-CE1 3.79Å; L335-F381 HydrophobicContact CD1-CZ 3.89Å; L337-F381 HydrophobicContact CD2-CE2 4.39Å; L337-F381 HydrophobicContact CD2-CZ 4.01Å; L361-F381 HydrophobicContact CB-CD1 4.23Å; L361-F381 HydrophobicContact CB-CE1 4.1Å; A362-F381 WeakPolarHBondContact O-CD1 2.97Å; A362-F381 PolarHBondContact O-N 3.45Å; L363-F381 CarbonylContact C-O 3.59Å; L363-F381 WeakPolarHBondContact CA-O 3.22Å; L363-F381 HydrophobicContact CB-CE2 3.87Å; L363-F381 HydrophobicContact CB-CZ 3.87Å; L363-F381 HydrophobicContact CD1-CD2 4.03Å; L363-F381 HydrophobicContact CD1-CE2 3.73Å; L363-F381 HydrophobicContact CG-CE2 4.4Å; N364-F381 WeakPolarHBondContact CB-O 3.48Å; N364-F381 PolarHBondContact N-O 2.94Å; F381-Q386 HydrophobicContact CB-CB 3.85Å; F381-L387 HydrophobicContact CB-CB 4.43Å; F381-L387 HydrophobicContact CD1-CB 4.33Å; F381-L387 HydrophobicContact CD1-CD1 3.93Å; F381-L387 HydrophobicContact CD2-CB 3.88Å; F381-L387 HydrophobicContact CE1-CD1 3.79Å; F381-L387 HydrophobicContact CE1-CD2 4.47Å; F381-L387 HydrophobicContact CE2-CB 4.2Å; F381-L387 HydrophobicContact CE2-CD2 4.13Å; F381-L387 HydrophobicContact CG-CB 3.96Å; F381-L387 HydrophobicContact CG-CD1 4.42Å; F381-L387 HydrophobicContact CZ-CD1 4.19Å; F381-L387 HydrophobicContact CZ-CD2 4.04Å; F381-L387 HydrophobicContact CZ-CG 4.5Å
382E96.8Very high96.8Very high118 Ų11843.5 Ų43.555%0.55122%0.217SC*.SBendtrans-115.2-21.8-179.6-59-170.815800113.1N364N364-E382 HydrophobicContact CB-CG 3.87Å; N364-E382 PolarHBondContact ND2-OE1 2.96Å
383N97.2Very high96.6Very high56 Ų5646.9 Ų46.930%0.29924%0.235SC..SBendtrans-149.1177.4-175.558.634.1000111.9E385 Q386 L387N383-E385 VanDerWaalsContact C-N 3.35Å; N383-E385 VanDerWaalsContact CG-OE2 3.28Å; N383-E385 PolarHBondContact O-N 2.89Å; N383-E385 PolarHBondContact OD1-N 3.23Å; N383-E385 PolarHBondContact OD1-OE2 3.16Å; N383-Q386 WeakPolarHBondContact OD1-CB 3.3Å; N383-Q386 VanDerWaalsContact OD1-CG 3.29Å; N383-Q386 WeakPolarHBondContact OD1-CG 3.44Å; N383-Q386 PolarHBondContact OD1-N 2.7Å; N383-L387 PolarHBondContact O-N 2.78Å; N383-L387 VanDerWaalsContact O-N 3.11Å
384A97.7Very high96.5Very high2 Ų242.6 Ų42.62%0.01722%0.215CC..Hα-helixtrans-64.1-38.3-177.300000112.6L262 E265 A266 I269 L387 A388L262-A384 HydrophobicContact CG-CB 4.24Å; E265-A384 HydrophobicContact CB-CB 3.73Å; E265-A384 HydrophobicContact CG-CB 3.59Å; A266-A384 HydrophobicContact CB-CB 4.13Å; A266-A384 VanDerWaalsContact CB-O 3.31Å; A266-A384 WeakPolarHBondContact CB-O 3.46Å; I269-A384 HydrophobicContact CD1-CB 4.34Å; A384-L387 PolarHBondContact O-N 2.79Å; A384-A388 WeakPolarHBondContact O-CB 3.41Å; A384-A388 PolarHBondContact O-N 2.94Å
385E98.4Very high96.4Very high91 Ų9138.7 Ų38.743%0.42519%0.194SC..Hα-helixtrans-63.9-47.9179.5-62.584.7166.300111.4I269 N383 L387 A388 D389I269-E385 HydrophobicContact CD1-CG 4.01Å; N383-E385 VanDerWaalsContact C-N 3.35Å; N383-E385 VanDerWaalsContact CG-OE2 3.28Å; N383-E385 PolarHBondContact O-N 2.89Å; N383-E385 PolarHBondContact OD1-N 3.23Å; N383-E385 PolarHBondContact OD1-OE2 3.16Å; E385-L387 VanDerWaalsContact C-N 3.33Å; E385-L387 PolarHBondContact O-N 2.87Å; E385-A388 PolarHBondContact O-N 2.92Å; E385-D389 WeakPolarHBondContact O-CB 3.35Å; E385-D389 PolarHBondContact O-N 2.94Å
386Q98.2Very high96.3Very high67 Ų6739.9 Ų39.931%0.31319%0.191SC..Hα-helixtrans-63.9-38.9176.7-73.5178.55.900111.7F381 N383 D389 H390F381-Q386 HydrophobicContact CB-CB 3.85Å; N383-Q386 WeakPolarHBondContact OD1-CB 3.3Å; N383-Q386 VanDerWaalsContact OD1-CG 3.29Å; N383-Q386 WeakPolarHBondContact OD1-CG 3.44Å; N383-Q386 PolarHBondContact OD1-N 2.7Å; Q386-D389 PolarHBondContact O-N 2.79Å; Q386-H390 WeakPolarHBondContact O-CB 3.4Å; Q386-H390 PolarHBondContact O-CD2 3.38Å; Q386-H390 PolarHBondContact O-N 3.3Å
387L98.4Very high96.1Very high0 Ų036.2 Ų36.20%018%0.175CC..Hα-helixtrans-62.1-44.5174.7175.756000111.3L262 L263 A266 L335 L361 F381 N383 A384 E385 H390 L391L262-L387 HydrophobicContact CD2-CD2 3.9Å; L263-L387 HydrophobicContact CD1-CD2 4.29Å; A266-L387 HydrophobicContact CB-CB 3.92Å; A266-L387 HydrophobicContact CB-CD2 3.62Å; A266-L387 HydrophobicContact CB-CG 3.76Å; L335-L387 HydrophobicContact CD1-CD1 3.74Å; L335-L387 HydrophobicContact CD1-CD2 4.05Å; L361-L387 HydrophobicContact CB-CD1 4.06Å; L361-L387 HydrophobicContact CD1-CD1 3.73Å; F381-L387 HydrophobicContact CB-CB 4.43Å; F381-L387 HydrophobicContact CD1-CB 4.33Å; F381-L387 HydrophobicContact CD1-CD1 3.93Å; F381-L387 HydrophobicContact CD2-CB 3.88Å; F381-L387 HydrophobicContact CE1-CD1 3.79Å; F381-L387 HydrophobicContact CE1-CD2 4.47Å; F381-L387 HydrophobicContact CE2-CB 4.2Å; F381-L387 HydrophobicContact CE2-CD2 4.13Å; F381-L387 HydrophobicContact CG-CB 3.96Å; F381-L387 HydrophobicContact CG-CD1 4.42Å; F381-L387 HydrophobicContact CZ-CD1 4.19Å; F381-L387 HydrophobicContact CZ-CD2 4.04Å; F381-L387 HydrophobicContact CZ-CG 4.5Å; N383-L387 PolarHBondContact O-N 2.78Å; N383-L387 VanDerWaalsContact O-N 3.11Å; A384-L387 PolarHBondContact O-N 2.79Å; E385-L387 VanDerWaalsContact C-N 3.33Å; E385-L387 PolarHBondContact O-N 2.87Å; L387-H390 PolarHBondContact O-N 2.94Å; L387-L391 HydrophobicContact CD1-CD1 4.37Å; L387-L391 HydrophobicContact CD1-CG 4.34Å; L387-L391 HydrophobicContact CG-CD1 4.36Å; L387-L391 WeakPolarHBondContact O-CG 3.34Å; L387-L391 PolarHBondContact O-N 2.9Å
388A97.5Very high96.1Very high0 Ų035.7 Ų35.70%017%0.172CC..Hα-helixtrans-63.8-42.2177.400000112.1I269 Y273 A384 E385 L391 R392I269-A388 HydrophobicContact CB-CB 3.76Å; I269-A388 HydrophobicContact CG2-CB 3.53Å; Y273-A388 HydrophobicContact CE2-CB 4.14Å; A384-A388 WeakPolarHBondContact O-CB 3.41Å; A384-A388 PolarHBondContact O-N 2.94Å; E385-A388 PolarHBondContact O-N 2.92Å; A388-L391 PolarHBondContact O-N 3.25Å; A388-R392 PolarHBondContact O-N 2.95Å
389D96.5Very high95.7Very high81 Ų8137.1 Ų37.143%0.43318%0.181SC..Hα-helixtrans-65.3-40.7176.5-79.1-23.1000112Y273 E385 Q386 R392 N393Y273-D389 PolarHBondContact OH-OD1 2.91Å; E385-D389 WeakPolarHBondContact O-CB 3.35Å; E385-D389 PolarHBondContact O-N 2.94Å; Q386-D389 PolarHBondContact O-N 2.79Å; D389-R392 WeakPolarHBondContact O-CB 3.49Å; D389-R392 PolarHBondContact O-N 3.45Å; D389-N393 WeakPolarHBondContact O-CB 3.5Å; D389-N393 PolarHBondContact O-N 3.25Å
390H97.3Very high95.1Very high31 Ų3144.8 Ų44.814%0.14422%0.215CC..Hα-helixtrans-63.8-43.2174.1-71.5-20.9000111.6L361 M379 I380 Q386 L387 R392 N393 V394L361-H390 HydrophobicContact CD1-CB 4.19Å; L361-H390 HydrophobicContact CD2-CB 4.02Å; M379-H390 VanDerWaalsContact CE-CE1 3.46Å; M379-H390 WeakPolarHBondContact CE-CE1 3.27Å; M379-H390 WeakPolarHBondContact CE-ND1 3.21Å; M379-H390 HydrophobicContact SD-CB 4.21Å; I380-H390 PolarHBondContact O-NE2 3.16Å; Q386-H390 WeakPolarHBondContact O-CB 3.4Å; Q386-H390 PolarHBondContact O-CD2 3.38Å; Q386-H390 PolarHBondContact O-N 3.3Å; L387-H390 PolarHBondContact O-N 2.94Å; H390-R392 VanDerWaalsContact C-N 3.33Å; H390-R392 PolarHBondContact O-N 2.83Å; H390-N393 PolarHBondContact O-N 3.16Å; H390-V394 WeakPolarHBondContact O-CB 3.36Å; H390-V394 VanDerWaalsContact O-CG2 3.26Å; H390-V394 WeakPolarHBondContact O-CG2 3.43Å; H390-V394 PolarHBondContact O-N 3.26Å
391L96.6Very high94.2Very high0 Ų047.9 Ų47.90%024%0.238CC..Hα-helixtrans-59-44.2173.3-74.8169.5000111.3L248 Y270 L361 L387 A388 N393 L395L248-L391 HydrophobicContact CD1-CD2 4.09Å; L248-L391 HydrophobicContact CD2-CD1 4.3Å; L248-L391 HydrophobicContact CD2-CD2 4Å; Y270-L391 HydrophobicContact CD2-CB 3.74Å; Y270-L391 HydrophobicContact CD2-CD1 4.47Å; Y270-L391 HydrophobicContact CE2-CB 3.95Å; L361-L391 HydrophobicContact CD1-CD2 3.63Å; L361-L391 HydrophobicContact CD1-CG 3.82Å; L387-L391 HydrophobicContact CD1-CD1 4.37Å; L387-L391 HydrophobicContact CD1-CG 4.34Å; L387-L391 HydrophobicContact CG-CD1 4.36Å; L387-L391 WeakPolarHBondContact O-CG 3.34Å; L387-L391 PolarHBondContact O-N 2.9Å; A388-L391 PolarHBondContact O-N 3.25Å; L391-N393 PolarHBondContact O-N 3.35Å; L391-L395 HydrophobicContact CD2-CD1 4.29Å; L391-L395 WeakPolarHBondContact O-CB 3.48Å; L391-L395 WeakPolarHBondContact O-CG 3.31Å; L391-L395 PolarHBondContact O-N 3.48Å
392R94.3Very high93.2Very high89 Ų8948.6 Ų48.634%0.33624%0.242SC..Hα-helixtrans-60.3-44.9175.5177.5176.6-178.1-162.82.9111.7Y273 D277 L282 A388 D389 H390 K396Y273-R392 HydrophobicContact CD2-CB 4.11Å; Y273-R392 HydrophobicContact CD2-CG 4.44Å; Y273-R392 HydrophobicContact CE2-CB 3.9Å; D277-R392 IonicContact OD2-NH2 3.65Å; D277-R392 PolarHBondContact OD2-NH2 3.28Å; L282-R392 HydrophobicContact CD1-CG 4.13Å; L282-R392 HydrophobicContact CD2-CG 4.22Å; A388-R392 PolarHBondContact O-N 2.95Å; D389-R392 WeakPolarHBondContact O-CB 3.49Å; D389-R392 PolarHBondContact O-N 3.45Å; H390-R392 VanDerWaalsContact C-N 3.33Å; H390-R392 PolarHBondContact O-N 2.83Å; R392-K396 PolarHBondContact O-N 2.88Å
393N93.5Very high92.5Very high71 Ų7146.8 Ų46.838%0.3824%0.242SC..Hα-helixtrans-66.8-49-178.3-175.329.3000112D389 H390 L391 L395 K396D389-N393 WeakPolarHBondContact O-CB 3.5Å; D389-N393 PolarHBondContact O-N 3.25Å; H390-N393 PolarHBondContact O-N 3.16Å; L391-N393 PolarHBondContact O-N 3.35Å; N393-L395 PolarHBondContact O-N 3.41Å; N393-K396 WeakPolarHBondContact O-CB 3.37Å; N393-K396 PolarHBondContact O-N 3.42Å
394V94.9Very high92.4Very high1 Ų146 Ų461%0.00624%0.239CC..Hα-helixtrans-69-34.2-176.8173.70000111.9V333 L361 M379 H390 V404 L405 M408V333-V394 HydrophobicContact CG2-CG1 4.05Å; L361-V394 HydrophobicContact CD2-CG2 4.42Å; M379-V394 HydrophobicContact SD-CG2 3.51Å; M379-V394 VanDerWaalsContact SD-CG2 3.51Å; H390-V394 WeakPolarHBondContact O-CB 3.36Å; H390-V394 VanDerWaalsContact O-CG2 3.26Å; H390-V394 WeakPolarHBondContact O-CG2 3.43Å; H390-V394 PolarHBondContact O-N 3.26Å; V394-V404 HydrophobicContact CG2-CG1 4.08Å; V394-L405 HydrophobicContact CG1-CB 3.73Å; V394-L405 HydrophobicContact CG1-CD1 3.68Å; V394-L405 HydrophobicContact CG1-CD2 4.4Å; V394-L405 HydrophobicContact CG1-CG 4.12Å; V394-M408 HydrophobicContact CG2-SD 4.4Å
395L94.7Very high92.2Very high0 Ų045.9 Ų45.90%024%0.238CC..THydrogen-bonded Turntrans-96.15.4-176.6-56.3177.8000114C246 Y270 P283 L285 V333 L391 N393 G397 F398 L405C246-L395 HydrophobicContact CB-CD1 4.23Å; C246-L395 HydrophobicContact CB-CD2 4.14Å; C246-L395 WeakPolarHBondContact SG-CD2 3.36Å; Y270-L395 HydrophobicContact CE2-CD1 4.3Å; P283-L395 HydrophobicContact CG-CB 4.07Å; P283-L395 HydrophobicContact CG-CD1 4.29Å; L285-L395 HydrophobicContact CD2-CD1 3.47Å; L285-L395 VanDerWaalsContact CD2-CD1 3.47Å; V333-L395 HydrophobicContact CG2-CD2 4.12Å; L391-L395 HydrophobicContact CD2-CD1 4.29Å; L391-L395 WeakPolarHBondContact O-CB 3.48Å; L391-L395 WeakPolarHBondContact O-CG 3.31Å; L391-L395 PolarHBondContact O-N 3.48Å; N393-L395 PolarHBondContact O-N 3.41Å; L395-G397 PolarHBondContact O-N 2.88Å; L395-G397 VanDerWaalsContact O-N 3.12Å; L395-F398 HydrophobicContact CB-CB 4.4Å; L395-F398 HydrophobicContact CD2-CD2 4.01Å; L395-F398 HydrophobicContact CD2-CE2 4.48Å; L395-F398 HydrophobicContact CD2-CG 4.46Å; L395-F398 WeakPolarHBondContact O-CB 3.2Å; L395-F398 PolarHBondContact O-N 3.24Å; L395-L405 HydrophobicContact CD2-CD2 4.41Å
396K91.9Very high92Very high90 Ų9044.7 Ų44.739%0.39124%0.235SC..THydrogen-bonded Turntrans-56.2115.4176.6-174.7166.2178.61740110.1T280 R392 N393 F398T280-K396 HydrophobicContact CG2-CB 4.38Å; T280-K396 HydrophobicContact CG2-CD 3.87Å; T280-K396 HydrophobicContact CG2-CG 3.14Å; T280-K396 WeakPolarHBondContact OG1-CE 3.42Å; T280-K396 WeakPolarHBondContact OG1-CG 3.43Å; R392-K396 PolarHBondContact O-N 2.88Å; N393-K396 WeakPolarHBondContact O-CB 3.37Å; N393-K396 PolarHBondContact O-N 3.42Å; K396-F398 VanDerWaalsContact C-N 3.34Å
397G90.4Very high91.9Very high11 Ų1143.9 Ų43.911%0.11323%0.233CC..THydrogen-bonded Turntrans80.68.2178.700000115.3S281 L395 K400 S401S281-G397 PolarHBondContact O-N 3.31Å; S281-G397 VanDerWaalsContact O-N 3.09Å; L395-G397 PolarHBondContact O-N 2.88Å; L395-G397 VanDerWaalsContact O-N 3.12Å; G397-K400 PolarHBondContact O-N 3.06Å; G397-S401 CarbonylContact C-O 3.42Å; G397-S401 WeakPolarHBondContact CA-O 3.21Å; G397-S401 PolarHBondContact O-N 2.89Å
398F92.5Very high91.8Very high6 Ų643.9 Ų43.93%0.02623%0.233CC..THydrogen-bonded Turntrans-64.5145.2177.5-175.7-75.3000112.4R244 C246 P283 D332 L395 K396 H402 L405R244-F398 HydrophobicContact CG-CE1 4.4Å; C246-F398 HydrophobicContact CB-CD1 4.33Å; C246-F398 HydrophobicContact CB-CE1 3.84Å; C246-F398 HydrophobicContact CB-CE2 4.33Å; C246-F398 HydrophobicContact CB-CZ 3.83Å; P283-F398 HydrophobicContact CB-CB 4.46Å; P283-F398 HydrophobicContact CB-CD1 3.64Å; P283-F398 HydrophobicContact CB-CE1 4.32Å; P283-F398 HydrophobicContact CB-CG 4.4Å; P283-F398 HydrophobicContact CG-CB 3.88Å; P283-F398 HydrophobicContact CG-CD1 3.68Å; P283-F398 HydrophobicContact CG-CE1 4.48Å; P283-F398 HydrophobicContact CG-CG 3.99Å; D332-F398 HydrophobicContact CB-CE2 4.11Å; D332-F398 HydrophobicContact CB-CZ 4.35Å; D332-F398 WeakPolarHBondContact OD2-CZ 3.4Å; L395-F398 HydrophobicContact CB-CB 4.4Å; L395-F398 HydrophobicContact CD2-CD2 4.01Å; L395-F398 HydrophobicContact CD2-CE2 4.48Å; L395-F398 HydrophobicContact CD2-CG 4.46Å; L395-F398 WeakPolarHBondContact O-CB 3.2Å; L395-F398 PolarHBondContact O-N 3.24Å; K396-F398 VanDerWaalsContact C-N 3.34Å; F398-H402 AromaticContact CD2-CD2 3.21Å; F398-H402 WeakPolarHBondContact CD2-CD2 3.46Å; F398-H402 AromaticContact CD2-NE2 3.73Å; F398-H402 AromaticContact CE2-CD2 3.98Å; F398-H402 AromaticContact CG-CD2 3.8Å; F398-L405 HydrophobicContact CD2-CD2 4.18Å; F398-L405 HydrophobicContact CE2-CD2 4.17Å
399P89.4Confident91.7Very high30 Ų3046.5 Ų46.520%0.19524%0.242CC..THydrogen-bonded Turncis-89.47.4-2.434.9-35.5000113.9T242 R244T242-P399 WeakPolarHBondContact O-CD 3.39Å; T242-P399 WeakPolarHBondContact O-CG 3.46Å; R244-P399 HydrophobicContact CG-CB 4.28Å; R244-P399 HydrophobicContact CG-CG 4.3Å
400K85Confident91.6Very high172 Ų17248 Ų4875%0.74824%0.242SC*.THydrogen-bonded Turntrans-87.8-39.4-167.2-65.2179.4-178.3173.40113.6G397G397-K400 PolarHBondContact O-N 3.06Å
401S79Confident91.6Very high89 Ų8950 Ų5062%0.62225%0.248SC*.  trans-152.195.4-176.21730000109.8G397G397-S401 CarbonylContact C-O 3.42Å; G397-S401 WeakPolarHBondContact CA-O 3.21Å; G397-S401 PolarHBondContact O-N 2.89Å
402H77.2Confident91.5Very high16 Ų1650.4 Ų50.47%0.07425%0.251CS..  trans-128.982.3-179.946.248.6000111F398 V404 L405 D406F398-H402 AromaticContact CD2-CD2 3.21Å; F398-H402 WeakPolarHBondContact CD2-CD2 3.46Å; F398-H402 AromaticContact CD2-NE2 3.73Å; F398-H402 AromaticContact CE2-CD2 3.98Å; F398-H402 AromaticContact CG-CD2 3.8Å; H402-V404 PolarHBondContact O-N 2.88Å; H402-L405 HydrophobicContact CB-CB 4.28Å; H402-L405 PolarHBondContact O-N 3.38Å; H402-D406 IonicContact CE1-OD1 2.68Å; H402-D406 PolarHBondContact CE1-OD1 2.99Å; H402-D406 IonicContact CE1-OD2 3.55Å; H402-D406 PolarHBondContact CE1-OD2 2.96Å; H402-D406 IonicContact CG-OD2 2.72Å; H402-D406 IonicContact ND1-OD1 3.39Å; H402-D406 PolarHBondContact ND1-OD1 2.69Å; H402-D406 VanDerWaalsContact ND1-OD1 3.12Å; H402-D406 IonicContact ND1-OD2 3.59Å; H402-D406 PolarHBondContact ND1-OD2 3.27Å; H402-D406 WeakPolarHBondContact O-CB 3.4Å; H402-D406 PolarHBondContact O-N 3.07Å
403S82.4Confident91.5Very high79 Ų7951 Ų5155%0.55226%0.258SS*.Hα-helixtrans-60.9-41.3-171.9570000113.1D406 D407S403-D406 PolarHBondContact O-N 3.29Å; S403-D407 WeakPolarHBondContact O-CB 3.44Å; S403-D407 PolarHBondContact O-N 2.92Å
404V93.7Very high91.6Very high40 Ų4053.8 Ų53.824%0.24227%0.269CS..Hα-helixtrans-64.6-48-177.6-1790000111.3V394 H402 D407 M408V394-V404 HydrophobicContact CG2-CG1 4.08Å; H402-V404 PolarHBondContact O-N 2.88Å; V404-D407 PolarHBondContact O-N 3.37Å; V404-M408 HydrophobicContact CG1-SD 3.95Å; V404-M408 WeakPolarHBondContact O-CG 3.37Å; V404-M408 PolarHBondContact O-N 3.38Å
405L95Very high91.5Very high0 Ų058.3 Ų58.30%030%0.301CS..Hα-helixtrans-64.1-43.9179.3-176.556.5000111.9V333 P359 V394 L395 F398 H402 D407 M408 R409V333-L405 HydrophobicContact CG2-CD1 3.91Å; V333-L405 HydrophobicContact CG2-CD2 4.33Å; P359-L405 HydrophobicContact CB-CD1 4.21Å; P359-L405 HydrophobicContact CG-CD1 3.93Å; V394-L405 HydrophobicContact CG1-CB 3.73Å; V394-L405 HydrophobicContact CG1-CD1 3.68Å; V394-L405 HydrophobicContact CG1-CD2 4.4Å; V394-L405 HydrophobicContact CG1-CG 4.12Å; L395-L405 HydrophobicContact CD2-CD2 4.41Å; F398-L405 HydrophobicContact CD2-CD2 4.18Å; F398-L405 HydrophobicContact CE2-CD2 4.17Å; H402-L405 HydrophobicContact CB-CB 4.28Å; H402-L405 PolarHBondContact O-N 3.38Å; L405-D407 VanDerWaalsContact C-N 3.35Å; L405-M408 PolarHBondContact O-N 2.87Å; L405-R409 WeakPolarHBondContact O-CB 3.3Å; L405-R409 PolarHBondContact O-N 3.41Å
406D93.6Very high91.4Very high66 Ų6662.7 Ų62.735%0.35333%0.329SS..Hα-helixtrans-65.9-38178.4-73.8-32.7000112.2H402 S403 R409 R410H402-D406 IonicContact CE1-OD1 2.68Å; H402-D406 PolarHBondContact CE1-OD1 2.99Å; H402-D406 IonicContact CE1-OD2 3.55Å; H402-D406 PolarHBondContact CE1-OD2 2.96Å; H402-D406 IonicContact CG-OD2 2.72Å; H402-D406 IonicContact ND1-OD1 3.39Å; H402-D406 PolarHBondContact ND1-OD1 2.69Å; H402-D406 VanDerWaalsContact ND1-OD1 3.12Å; H402-D406 IonicContact ND1-OD2 3.59Å; H402-D406 PolarHBondContact ND1-OD2 3.27Å; H402-D406 WeakPolarHBondContact O-CB 3.4Å; H402-D406 PolarHBondContact O-N 3.07Å; S403-D406 PolarHBondContact O-N 3.29Å; D406-R409 PolarHBondContact O-N 3.1Å; D406-R410 WeakPolarHBondContact O-CB 3.32Å; D406-R410 PolarHBondContact O-N 3.32Å
407D95.4Very high91.5Very high50 Ų5060.7 Ų60.727%0.26732%0.322SS..Hα-helixtrans-65.1-45.5176.2-73.8-18.2000111.3S403 V404 L405 R410 R411S403-D407 WeakPolarHBondContact O-CB 3.44Å; S403-D407 PolarHBondContact O-N 2.92Å; V404-D407 PolarHBondContact O-N 3.37Å; L405-D407 VanDerWaalsContact C-N 3.35Å; D407-R410 PolarHBondContact O-N 3.43Å; D407-R410 IonicContact OD1-CZ 3.39Å; D407-R410 IonicContact OD1-NH1 3.74Å; D407-R410 PolarHBondContact OD1-NH1 3.49Å; D407-R410 IonicContact OD1-NH2 2.69Å; D407-R410 PolarHBondContact OD1-NH2 2.74Å; D407-R411 WeakPolarHBondContact O-CG 3.26Å; D407-R411 PolarHBondContact O-N 2.84Å; D407-R411 PolarHBondContact O-NE 2.84Å
408M96.7Very high91.6Very high0 Ų062.7 Ų62.70%033%0.329CS..Hα-helixtrans-60.6-47.5175.4-74.2164.534.400111.4P359 I376 M379 V394 V404 L405 R410 R411 L412P359-M408 HydrophobicContact CB-CB 3.87Å; P359-M408 HydrophobicContact CB-CE 3.24Å; P359-M408 HydrophobicContact CG-CB 3.99Å; P359-M408 HydrophobicContact CG-CE 4.3Å; I376-M408 WeakPolarHBondContact O-CA 3.48Å; I376-M408 WeakPolarHBondContact O-CG 3.48Å; M379-M408 HydrophobicContact CG-SD 4.17Å; V394-M408 HydrophobicContact CG2-SD 4.4Å; V404-M408 HydrophobicContact CG1-SD 3.95Å; V404-M408 WeakPolarHBondContact O-CG 3.37Å; V404-M408 PolarHBondContact O-N 3.38Å; L405-M408 PolarHBondContact O-N 2.87Å; M408-R410 PolarHBondContact O-N 2.96Å; M408-R411 PolarHBondContact O-N 3.13Å; M408-L412 PolarHBondContact O-N 3.02Å; M408-L412 VanDerWaalsContact O-N 3.09Å
409R95.5Very high91.7Very high55 Ų5565 Ų6521%0.20834%0.343CS..Hα-helixtrans-62.3-44.6177.2-175.8175.4-69.8143.3-2.1111.6D332 P359 L405 D406 R411 L412 M413D332-R409 PolarHBondContact O-NH2 2.93Å; D332-R409 VanDerWaalsContact O-NH2 3.16Å; D332-R409 IonicContact OD1-NH2 3.14Å; P359-R409 HydrophobicContact CG-CB 3.89Å; L405-R409 WeakPolarHBondContact O-CB 3.3Å; L405-R409 PolarHBondContact O-N 3.41Å; D406-R409 PolarHBondContact O-N 3.1Å; R409-R411 VanDerWaalsContact C-N 3.32Å; R409-R411 PolarHBondContact O-N 3.49Å; R409-L412 PolarHBondContact O-N 3.09Å; R409-M413 VanDerWaalsContact O-CG 3.26Å; R409-M413 WeakPolarHBondContact O-CG 3.18Å; R409-M413 PolarHBondContact O-N 2.71Å
410R95.6Very high92.1Very high111 Ų11163.6 Ų63.642%0.41933%0.334SS..Hα-helixtrans-58.5-44.4177.4-177.9179.566-111.2-2.8111.1D406 D407 M408 L412 M413 E414D406-R410 WeakPolarHBondContact O-CB 3.32Å; D406-R410 PolarHBondContact O-N 3.32Å; D407-R410 PolarHBondContact O-N 3.43Å; D407-R410 IonicContact OD1-CZ 3.39Å; D407-R410 IonicContact OD1-NH1 3.74Å; D407-R410 PolarHBondContact OD1-NH1 3.49Å; D407-R410 IonicContact OD1-NH2 2.69Å; D407-R410 PolarHBondContact OD1-NH2 2.74Å; M408-R410 PolarHBondContact O-N 2.96Å; R410-L412 PolarHBondContact O-N 3.4Å; R410-M413 WeakPolarHBondContact O-CB 3.43Å; R410-M413 PolarHBondContact O-N 3.05Å; R410-M413 VanDerWaalsContact O-N 3.1Å; R410-E414 WeakPolarHBondContact CD-OE1 3.46Å; R410-E414 HydrophobicContact CG-CG 4.15Å; R410-E414 VanDerWaalsContact CG-OE1 3.28Å; R410-E414 WeakPolarHBondContact CG-OE1 3.42Å; R410-E414 IonicContact NE-OE1 2.7Å; R410-E414 WeakPolarHBondContact O-CB 3.22Å; R410-E414 WeakPolarHBondContact O-CG 3.34Å; R410-E414 PolarHBondContact O-N 3.12Å
411R95.9Very high92.5Very high73 Ų7357.2 Ų57.228%0.27531%0.308SS..Hα-helixtrans-63.8-40.6178.8-73.2-177-67.1-122.15.5112.8S375 I376 D407 M408 R409 M413 E414 S415S375-R411 PolarHBondContact O-NH2 2.9Å; I376-R411 PolarHBondContact O-NE 2.98Å; I376-R411 PolarHBondContact O-NH2 2.89Å; D407-R411 WeakPolarHBondContact O-CG 3.26Å; D407-R411 PolarHBondContact O-N 2.84Å; D407-R411 PolarHBondContact O-NE 2.84Å; M408-R411 PolarHBondContact O-N 3.13Å; R409-R411 VanDerWaalsContact C-N 3.32Å; R409-R411 PolarHBondContact O-N 3.49Å; R411-M413 VanDerWaalsContact C-N 3.26Å; R411-M413 PolarHBondContact O-N 3.12Å; R411-E414 PolarHBondContact O-N 3.02Å; R411-S415 PolarHBondContact O-N 3.48Å
412L95.6Very high93.3Very high10 Ų1059.2 Ų59.25%0.05231%0.306CS..Hα-helixtrans-59.4-37.3171.8-76.9172.1000112.3F354 P359 D377 M408 R409 R410 S415 P416F354-L412 HydrophobicContact CB-CD2 4.03Å; F354-L412 HydrophobicContact CD1-CD1 4.02Å; F354-L412 HydrophobicContact CD1-CD2 3.76Å; F354-L412 HydrophobicContact CD2-CD2 4.1Å; F354-L412 HydrophobicContact CE1-CD1 4.29Å; F354-L412 HydrophobicContact CE1-CD2 4.15Å; F354-L412 HydrophobicContact CE2-CD2 4.47Å; F354-L412 HydrophobicContact CG-CD2 3.72Å; F354-L412 HydrophobicContact CZ-CD2 4.49Å; P359-L412 HydrophobicContact CB-CD1 4.26Å; P359-L412 HydrophobicContact CG-CD1 4.02Å; D377-L412 HydrophobicContact CB-CD2 3.69Å; D377-L412 HydrophobicContact CB-CG 4.02Å; M408-L412 PolarHBondContact O-N 3.02Å; M408-L412 VanDerWaalsContact O-N 3.09Å; R409-L412 PolarHBondContact O-N 3.09Å; R410-L412 PolarHBondContact O-N 3.4Å; L412-S415 CarbonylContact O-C 3.43Å; L412-P416 WeakPolarHBondContact O-CA 3.4Å
413M93.6Very high94.3Very high102 Ų10258.4 Ų58.450%0.50230%0.302SS..Hα-helixtrans-77.4-35179.2-64.7-60.6-59.500113.4P200 R409 R410 R411P200-M413 HydrophobicContact CB-CE 4.15Å; P200-M413 HydrophobicContact CB-SD 4.11Å; P200-M413 HydrophobicContact CG-CE 3.75Å; P200-M413 HydrophobicContact CG-SD 3.47Å; P200-M413 WeakPolarHBondContact CG-SD 3.49Å; R409-M413 VanDerWaalsContact O-CG 3.26Å; R409-M413 WeakPolarHBondContact O-CG 3.18Å; R409-M413 PolarHBondContact O-N 2.71Å; R410-M413 WeakPolarHBondContact O-CB 3.43Å; R410-M413 PolarHBondContact O-N 3.05Å; R410-M413 VanDerWaalsContact O-N 3.1Å; R411-M413 VanDerWaalsContact C-N 3.26Å; R411-M413 PolarHBondContact O-N 3.12Å
414E95.1Very high95Very high129 Ų12954.8 Ų54.860%0.60328%0.276SS*.Hα-helixtrans-75.7-29.9177.8-74.2173.917400112.2R410 R411R410-E414 WeakPolarHBondContact CD-OE1 3.46Å; R410-E414 HydrophobicContact CG-CG 4.15Å; R410-E414 VanDerWaalsContact CG-OE1 3.28Å; R410-E414 WeakPolarHBondContact CG-OE1 3.42Å; R410-E414 IonicContact NE-OE1 2.7Å; R410-E414 WeakPolarHBondContact O-CB 3.22Å; R410-E414 WeakPolarHBondContact O-CG 3.34Å; R410-E414 PolarHBondContact O-N 3.12Å; R411-E414 PolarHBondContact O-N 3.02Å
415S93.5Very high95.2Very high96 Ų9657.7 Ų57.767%0.67129%0.287SS*.SBendtrans-132.465.8179.6-650000110.9R411 L412R411-S415 PolarHBondContact O-N 3.48Å; L412-S415 CarbonylContact O-C 3.43Å
416P92.9Very high95.3Very high91 Ų9164.5 Ų64.559%0.59132%0.317SS*.PPolyproline II helixtrans-66.2150.5-178.929-35.1000110.9L412L412-P416 WeakPolarHBondContact O-CA 3.4Å
417L93Very high95.5Very high49 Ų4963.5 Ų63.526%0.25731%0.311SS..PPolyproline II helixtrans-57.9140.8170.6-65.3-178.9000110.2P194 V351 F354 L371 T419P194-L417 HydrophobicContact CG-CB 4.14Å; V351-L417 HydrophobicContact CG1-CD1 4.29Å; F354-L417 HydrophobicContact CB-CD1 3.72Å; F354-L417 HydrophobicContact CB-CG 4.29Å; F354-L417 HydrophobicContact CD2-CD1 4.13Å; F354-L417 HydrophobicContact CG-CD1 4.47Å; L371-L417 HydrophobicContact CD1-CD1 4.35Å; L417-T419 PolarHBondContact O-N 3.21Å
418E93.9Very high95.6Very high53 Ų5361.1 Ų61.125%0.24830%0.298CS..PPolyproline II helixtrans-59.7136.6171.9-175.6161.5-108.100110R193 K422 A423R193-E418 WeakPolarHBondContact CB-O 3.49Å; R193-E418 WeakPolarHBondContact CD-O 3.19Å; R193-E418 WeakPolarHBondContact CG-O 3.49Å; E418-K422 HydrophobicContact CG-CB 3.9Å; E418-K422 HydrophobicContact CG-CD 3.91Å; E418-K422 HydrophobicContact CG-CG 3.96Å; E418-K422 VanDerWaalsContact OE1-CD 3.27Å; E418-K422 WeakPolarHBondContact OE1-CD 3.17Å; E418-K422 WeakPolarHBondContact OE1-CE 3.49Å; E418-K422 WeakPolarHBondContact OE1-CG 3.46Å; E418-K422 IonicContact OE1-NZ 3.98Å; E418-K422 PolarHBondContact OE1-NZ 2.82Å; E418-A423 HydrophobicContact CG-CB 4.09Å; E418-A423 WeakPolarHBondContact OE2-CA 3.47Å
419T94.6Very high95.6Very high54 Ų5462.6 Ų62.633%0.33130%0.304SS..PPolyproline II helixtrans-68.1155.6-179.9670000111.6L417 N421 K422 A423L417-T419 PolarHBondContact O-N 3.21Å; T419-N421 VanDerWaalsContact C-N 3.32Å; T419-N421 PolarHBondContact O-N 3.24Å; T419-K422 PolarHBondContact O-N 3.48Å; T419-A423 PolarHBondContact O-N 3.27Å
420W96.3Very high95.7Very high1 Ų162.4 Ų62.40%0.00431%0.309CS..Hα-helixtrans-47.5-54.1176175.3-83.6000112.1R25 Y28 H29 S32 F190 R193 P194 F195 K422 A423 W424R25-W420 HydrophobicContact CB-CH2 4.36Å; R25-W420 HydrophobicContact CG-CH2 3.83Å; R25-W420 HydrophobicContact CG-CZ3 4.29Å; Y28-W420 AromaticContact CD2-CD2 3.93Å; Y28-W420 HydrophobicContact CD2-CD2 3.93Å; Y28-W420 AromaticContact CD2-CE3 3.84Å; Y28-W420 HydrophobicContact CD2-CE3 3.84Å; Y28-W420 HydrophobicContact CD2-CG 4.43Å; Y28-W420 HydrophobicContact CD2-CH2 4.43Å; Y28-W420 HydrophobicContact CD2-CZ3 4.1Å; Y28-W420 HydrophobicContact CG-CD2 4.24Å; Y28-W420 HydrophobicContact CG-CZ2 4.49Å; H29-W420 AromaticContact CD2-CH2 3.81Å; H29-W420 AromaticContact CD2-CZ2 3.92Å; H29-W420 AromaticContact CG-CZ2 3.98Å; H29-W420 AromaticContact NE2-CH2 3.66Å; H29-W420 AromaticContact NE2-CZ2 3.95Å; S32-W420 PolarHBondContact OG-NE1 2.87Å; F190-W420 HydrophobicContact CD1-CH2 4.45Å; F190-W420 HydrophobicContact CE1-CD2 4.47Å; F190-W420 HydrophobicContact CE1-CE3 4.15Å; F190-W420 AromaticContact CE1-CH2 3.4Å; F190-W420 HydrophobicContact CE1-CH2 3.4Å; F190-W420 VanDerWaalsContact CE1-CH2 3.4Å; F190-W420 AromaticContact CE1-CZ2 3.73Å; F190-W420 HydrophobicContact CE1-CZ2 3.73Å; F190-W420 AromaticContact CE1-CZ3 3.62Å; F190-W420 HydrophobicContact CE1-CZ3 3.62Å; F190-W420 HydrophobicContact CZ-CD2 4.1Å; F190-W420 AromaticContact CZ-CE3 3.99Å; F190-W420 HydrophobicContact CZ-CE3 3.99Å; F190-W420 HydrophobicContact CZ-CH2 4.01Å; F190-W420 HydrophobicContact CZ-CZ2 4.09Å; F190-W420 AromaticContact CZ-CZ3 3.94Å; F190-W420 HydrophobicContact CZ-CZ3 3.94Å; R193-W420 HydrophobicContact CB-CB 4.27Å; P194-W420 PolarHBondContact O-N 3.23Å; F195-W420 HydrophobicContact CD2-CB 3.95Å; F195-W420 HydrophobicContact CD2-CG 4.07Å; F195-W420 HydrophobicContact CE2-CG 4.38Å; W420-K422 VanDerWaalsContact C-N 3.3Å; W420-K422 PolarHBondContact O-N 2.91Å; W420-A423 PolarHBondContact O-N 3.45Å; W420-W424 AromaticContact CE2-CD1 3.66Å; W420-W424 AromaticContact CZ2-CD1 3.58Å; W420-W424 AromaticContact NE1-CD1 3.56Å; W420-W424 AromaticContact NE1-CG 3.87Å; W420-W424 WeakPolarHBondContact O-CB 3.26Å; W420-W424 PolarHBondContact O-N 3.5Å
421N95.2Very high95.7Very high37 Ų3757.2 Ų57.220%0.19829%0.29CS..Hα-helixtrans-59-41.9-173.5-71.1-33.9000112.2D196 T419 E425D196-N421 PolarHBondContact OD2-ND2 2.87Å; T419-N421 VanDerWaalsContact C-N 3.32Å; T419-N421 PolarHBondContact O-N 3.24Å; N421-E425 WeakPolarHBondContact O-CB 3.4Å; N421-E425 PolarHBondContact O-N 3.39Å; N421-E425 VanDerWaalsContact O-N 3.08Å
422K95.6Very high95.7Very high131 Ų13153.8 Ų53.857%0.5728%0.277SS*.Hα-helixtrans-71.1-46.7-179.5-173.2177.1169.3-138.70111.9E418 T419 W420 K426E418-K422 HydrophobicContact CG-CB 3.9Å; E418-K422 HydrophobicContact CG-CD 3.91Å; E418-K422 HydrophobicContact CG-CG 3.96Å; E418-K422 VanDerWaalsContact OE1-CD 3.27Å; E418-K422 WeakPolarHBondContact OE1-CD 3.17Å; E418-K422 WeakPolarHBondContact OE1-CE 3.49Å; E418-K422 WeakPolarHBondContact OE1-CG 3.46Å; E418-K422 IonicContact OE1-NZ 3.98Å; E418-K422 PolarHBondContact OE1-NZ 2.82Å; T419-K422 PolarHBondContact O-N 3.48Å; W420-K422 VanDerWaalsContact C-N 3.3Å; W420-K422 PolarHBondContact O-N 2.91Å; K422-K426 WeakPolarHBondContact O-CB 3.39Å; K422-K426 PolarHBondContact O-N 3.49Å
423A97.1Very high95.6Very high0 Ų054.9 Ų54.90%029%0.285CS..Hα-helixtrans-65-41.6177.900000111.6F190 R193 E418 T419 W420 K426 I427F190-A423 HydrophobicContact CE2-CB 3.92Å; R193-A423 HydrophobicContact CG-CB 3.83Å; E418-A423 HydrophobicContact CG-CB 4.09Å; E418-A423 WeakPolarHBondContact OE2-CA 3.47Å; T419-A423 PolarHBondContact O-N 3.27Å; W420-A423 PolarHBondContact O-N 3.45Å; A423-K426 PolarHBondContact O-N 2.95Å; A423-I427 WeakPolarHBondContact O-CB 3.37Å; A423-I427 WeakPolarHBondContact O-CG1 3.46Å; A423-I427 PolarHBondContact O-N 3.11Å
424W98Very high95.5Very high3 Ų351.4 Ų51.41%0.01127%0.269CS..Hα-helixtrans-62.3-46179.3-170.4102.2000111.7H29 S32 L33 K36 F190 W420 K426 I427 V428 W429 F432H29-W424 AromaticContact CE1-CD1 3.88Å; H29-W424 AromaticContact CE1-NE1 3.59Å; H29-W424 AromaticContact CG-NE1 3.89Å; H29-W424 AromaticContact ND1-CD1 3.67Å; H29-W424 AromaticContact ND1-NE1 2.97Å; H29-W424 PolarHBondContact ND1-NE1 2.92Å; S32-W424 VanDerWaalsContact CB-CD2 3.48Å; L33-W424 HydrophobicContact CD2-CH2 3.89Å; L33-W424 HydrophobicContact CD2-CZ2 3.93Å; L33-W424 HydrophobicContact CG-CH2 4.11Å; L33-W424 HydrophobicContact CG-CZ2 3.84Å; K36-W424 HydrophobicContact CG-CZ3 4.15Å; F190-W424 AromaticContact CE1-CD1 3.93Å; F190-W424 HydrophobicContact CE2-CB 4.31Å; F190-W424 HydrophobicContact CZ-CB 3.92Å; F190-W424 AromaticContact CZ-CD1 3.86Å; F190-W424 HydrophobicContact CZ-CG 4.29Å; W420-W424 AromaticContact CE2-CD1 3.66Å; W420-W424 AromaticContact CZ2-CD1 3.58Å; W420-W424 AromaticContact NE1-CD1 3.56Å; W420-W424 AromaticContact NE1-CG 3.87Å; W420-W424 WeakPolarHBondContact O-CB 3.26Å; W420-W424 PolarHBondContact O-N 3.5Å; W424-K426 VanDerWaalsContact C-N 3.28Å; W424-K426 PolarHBondContact O-N 3.44Å; W424-I427 PolarHBondContact O-N 2.65Å; W424-V428 HydrophobicContact CD2-CB 3.97Å; W424-V428 HydrophobicContact CD2-CG1 4.17Å; W424-V428 HydrophobicContact CG-CB 3.9Å; W424-V428 HydrophobicContact CG-CG1 4.37Å; W424-V428 HydrophobicContact CG-CG2 4.24Å; W424-V428 HydrophobicContact CZ2-CB 4.49Å; W424-V428 HydrophobicContact CZ2-CG1 3.85Å; W424-V428 WeakPolarHBondContact O-CA 3.31Å; W424-V428 WeakPolarHBondContact O-CB 3.28Å; W424-V428 PolarHBondContact O-N 2.82Å; W424-W429 HydrophobicContact CE3-CB 4.08Å; W424-W429 HydrophobicContact CH2-CB 4.31Å; W424-W429 HydrophobicContact CH2-CD2 4.49Å; W424-W429 AromaticContact CH2-CE3 3.67Å; W424-W429 HydrophobicContact CH2-CE3 3.67Å; W424-W429 HydrophobicContact CH2-CZ3 4.4Å; W424-W429 HydrophobicContact CZ3-CB 3.68Å; W424-W429 HydrophobicContact CZ3-CD2 4.26Å; W424-W429 AromaticContact CZ3-CE3 3.86Å; W424-W429 HydrophobicContact CZ3-CE3 3.86Å; W424-W429 HydrophobicContact CZ3-CG 4.24Å; W424-W429 PolarHBondContact O-N 3.5Å; W424-F432 HydrophobicContact CZ2-CD2 4.24Å; W424-F432 HydrophobicContact CZ2-CE2 4.28Å
425E96.8Very high95.4Very high101 Ų10145.8 Ų45.847%0.47224%0.243SC..Hα-helixtrans-62.8-36.6176.3174.7155.2-158.300112.3K36 N421 P430K36-E425 IonicContact NZ-OE1 3.86Å; K36-E425 PolarHBondContact NZ-OE1 3.41Å; K36-E425 IonicContact NZ-OE2 3.49Å; K36-E425 PolarHBondContact NZ-OE2 3.47Å; N421-E425 WeakPolarHBondContact O-CB 3.4Å; N421-E425 PolarHBondContact O-N 3.39Å; N421-E425 VanDerWaalsContact O-N 3.08Å; E425-P430 WeakPolarHBondContact O-CD 3.48Å
426K97.3Very high95.2Very high143 Ų14343.4 Ų43.462%0.62222%0.223SC*.Hα-helixtrans-73.4-37179.4178.9-178.7167.8-1710113.1K422 A423 W424 P430K422-K426 WeakPolarHBondContact O-CB 3.39Å; K422-K426 PolarHBondContact O-N 3.49Å; A423-K426 PolarHBondContact O-N 2.95Å; W424-K426 VanDerWaalsContact C-N 3.28Å; W424-K426 PolarHBondContact O-N 3.44Å; K426-P430 WeakPolarHBondContact O-CG 3.47Å
427I97.9Very high94.7Very high45 Ų4543 Ų4323%0.23122%0.216CC..Hα-helixtrans-111.4-54.7-166.8-60.7171.9000111.5T188 F190 A423 W424 P430 V431T188-I427 HydrophobicContact CG2-CG2 3.55Å; F190-I427 HydrophobicContact CB-CG2 4.37Å; F190-I427 HydrophobicContact CD2-CB 4.32Å; F190-I427 HydrophobicContact CD2-CD1 4.36Å; F190-I427 HydrophobicContact CD2-CG2 4.36Å; A423-I427 WeakPolarHBondContact O-CB 3.37Å; A423-I427 WeakPolarHBondContact O-CG1 3.46Å; A423-I427 PolarHBondContact O-N 3.11Å; W424-I427 PolarHBondContact O-N 2.65Å; I427-P430 WeakPolarHBondContact O-CD 3.18Å; I427-V431 WeakPolarHBondContact O-CG2 3.21Å
428V98Very high93.7Very high0 Ų043.1 Ų43.10%023%0.229CC..Hα-helixtrans-79.2-40.4-170.51780000111.5L169 F190 W424 V431 F432L169-V428 HydrophobicContact CD1-CG1 3.96Å; L169-V428 HydrophobicContact CD1-CG2 4.29Å; L169-V428 HydrophobicContact CD2-CG2 4.42Å; F190-V428 HydrophobicContact CB-CG2 3.97Å; F190-V428 HydrophobicContact CD1-CG2 3.4Å; F190-V428 HydrophobicContact CD2-CG2 3.61Å; F190-V428 HydrophobicContact CE1-CG2 3.67Å; F190-V428 HydrophobicContact CE2-CG2 3.89Å; F190-V428 HydrophobicContact CG-CG2 3.36Å; F190-V428 HydrophobicContact CZ-CG2 3.92Å; W424-V428 HydrophobicContact CD2-CB 3.97Å; W424-V428 HydrophobicContact CD2-CG1 4.17Å; W424-V428 HydrophobicContact CG-CB 3.9Å; W424-V428 HydrophobicContact CG-CG1 4.37Å; W424-V428 HydrophobicContact CG-CG2 4.24Å; W424-V428 HydrophobicContact CZ2-CB 4.49Å; W424-V428 HydrophobicContact CZ2-CG1 3.85Å; W424-V428 WeakPolarHBondContact O-CA 3.31Å; W424-V428 WeakPolarHBondContact O-CB 3.28Å; W424-V428 PolarHBondContact O-N 2.82Å; V428-V431 WeakPolarHBondContact O-CA 3.19Å; V428-V431 WeakPolarHBondContact O-CB 3.37Å; V428-V431 PolarHBondContact O-N 2.8Å; V428-F432 HydrophobicContact CG1-CD2 3.59Å; V428-F432 HydrophobicContact CG1-CE2 3.53Å; V428-F432 WeakPolarHBondContact O-CD2 3.48Å; V428-F432 PolarHBondContact O-N 3.32Å
429W97Very high91.7Very high31 Ų3142.1 Ų42.112%0.11723%0.232CC..Hα-helixtrans-59.6-42.6178.9-178.9-118.5000113.6L33 K36 V38 W424 V431 F432 T433L33-W429 HydrophobicContact CD2-CZ3 4.4Å; K36-W429 HydrophobicContact CB-CE3 4.5Å; K36-W429 HydrophobicContact CB-CH2 3.89Å; K36-W429 HydrophobicContact CB-CZ2 4.33Å; K36-W429 HydrophobicContact CB-CZ3 3.99Å; K36-W429 HydrophobicContact CG-CD2 4.35Å; K36-W429 HydrophobicContact CG-CE3 4.21Å; K36-W429 HydrophobicContact CG-CH2 4.35Å; K36-W429 HydrophobicContact CG-CZ3 4.21Å; V38-W429 HydrophobicContact CG2-CH2 4.08Å; V38-W429 HydrophobicContact CG2-CZ3 4.07Å; W424-W429 HydrophobicContact CE3-CB 4.08Å; W424-W429 HydrophobicContact CH2-CB 4.31Å; W424-W429 HydrophobicContact CH2-CD2 4.49Å; W424-W429 AromaticContact CH2-CE3 3.67Å; W424-W429 HydrophobicContact CH2-CE3 3.67Å; W424-W429 HydrophobicContact CH2-CZ3 4.4Å; W424-W429 HydrophobicContact CZ3-CB 3.68Å; W424-W429 HydrophobicContact CZ3-CD2 4.26Å; W424-W429 AromaticContact CZ3-CE3 3.86Å; W424-W429 HydrophobicContact CZ3-CE3 3.86Å; W424-W429 HydrophobicContact CZ3-CG 4.24Å; W424-W429 PolarHBondContact O-N 3.5Å; W429-V431 VanDerWaalsContact C-N 3.32Å; W429-V431 PolarHBondContact O-N 2.98Å; W429-F432 HydrophobicContact CE3-CB 4.33Å; W429-F432 PolarHBondContact O-N 3.02Å; W429-T433 HydrophobicContact CD2-CG2 3.84Å; W429-T433 VanDerWaalsContact CE2-CG2 3.41Å; W429-T433 HydrophobicContact CE3-CG2 4.27Å; W429-T433 HydrophobicContact CG-CG2 4.42Å; W429-T433 HydrophobicContact CH2-CG2 4Å; W429-T433 HydrophobicContact CZ2-CG2 3.5Å; W429-T433 HydrophobicContact CZ3-CG2 4.35Å; W429-T433 WeakPolarHBondContact O-CG2 3.34Å; W429-T433 PolarHBondContact O-N 2.95Å; W429-T433 PolarHBondContact O-OG1 3.12Å
430P96.4Very high89.1Confident50 Ų5045.7 Ų45.733%0.32525%0.25SC..Hα-helixtrans-57.5-39.1169.1-30.137.3000114.2E425 K426 I427 T433 T434E425-P430 WeakPolarHBondContact O-CD 3.48Å; K426-P430 WeakPolarHBondContact O-CG 3.47Å; I427-P430 WeakPolarHBondContact O-CD 3.18Å; P430-T433 WeakPolarHBondContact CA-OG1 3.2Å; P430-T433 PolarHBondContact O-OG1 3.06Å; P430-T434 WeakPolarHBondContact O-CB 3.22Å; P430-T434 PolarHBondContact O-N 3.48Å; P430-T434 PolarHBondContact O-OG1 3.44Å
431V96.6Very high86.4Confident3 Ų348 Ų482%0.01826%0.264CS..Hα-helixtrans-62.5-48.2176.5175.40000110.2I129 A167 L169 T188 I427 V428 W429 T434 T435I129-V431 HydrophobicContact CD1-CG1 4.37Å; A167-V431 HydrophobicContact CB-CG1 3.88Å; L169-V431 HydrophobicContact CD2-CB 4.44Å; L169-V431 HydrophobicContact CD2-CG1 4.28Å; L169-V431 HydrophobicContact CD2-CG2 4.2Å; T188-V431 HydrophobicContact CG2-CG2 4.11Å; I427-V431 WeakPolarHBondContact O-CG2 3.21Å; V428-V431 WeakPolarHBondContact O-CA 3.19Å; V428-V431 WeakPolarHBondContact O-CB 3.37Å; V428-V431 PolarHBondContact O-N 2.8Å; W429-V431 VanDerWaalsContact C-N 3.32Å; W429-V431 PolarHBondContact O-N 2.98Å; V431-T434 PolarHBondContact O-N 3Å; V431-T435 VanDerWaalsContact O-CB 3.31Å; V431-T435 WeakPolarHBondContact O-CB 3.47Å; V431-T435 PolarHBondContact O-N 3.39Å; V431-T435 PolarHBondContact O-OG1 2.9Å
432F95.3Very high83.5Confident1 Ų150.5 Ų50.50%0.00429%0.289CS..Hα-helixtrans-60.6-51.9177.8-89.1-78.1000112.7V12 L33 V102 L104 I129 W424 V428 W429 T434 T435 L436V12-F432 HydrophobicContact CG1-CE1 3.9Å; V12-F432 HydrophobicContact CG2-CD1 4.33Å; V12-F432 HydrophobicContact CG2-CE1 4.19Å; L33-F432 HydrophobicContact CD1-CE1 4.29Å; L33-F432 HydrophobicContact CD1-CZ 4.03Å; L33-F432 HydrophobicContact CD2-CD1 4.08Å; L33-F432 HydrophobicContact CD2-CD2 4.16Å; L33-F432 HydrophobicContact CD2-CE1 4.13Å; L33-F432 HydrophobicContact CD2-CE2 4.21Å; L33-F432 HydrophobicContact CD2-CG 4.09Å; L33-F432 HydrophobicContact CD2-CZ 4.2Å; V102-F432 HydrophobicContact CG1-CD1 4.24Å; V102-F432 HydrophobicContact CG1-CE1 3.87Å; L104-F432 HydrophobicContact CB-CZ 4.17Å; L104-F432 HydrophobicContact CD1-CZ 4.16Å; L104-F432 HydrophobicContact CD2-CZ 3.97Å; L104-F432 HydrophobicContact CG-CZ 4.3Å; I129-F432 HydrophobicContact CD1-CD1 3.81Å; I129-F432 HydrophobicContact CD1-CE1 3.76Å; I129-F432 HydrophobicContact CD1-CG 4.27Å; I129-F432 HydrophobicContact CD1-CZ 4.16Å; W424-F432 HydrophobicContact CZ2-CD2 4.24Å; W424-F432 HydrophobicContact CZ2-CE2 4.28Å; V428-F432 HydrophobicContact CG1-CD2 3.59Å; V428-F432 HydrophobicContact CG1-CE2 3.53Å; V428-F432 WeakPolarHBondContact O-CD2 3.48Å; V428-F432 PolarHBondContact O-N 3.32Å; W429-F432 HydrophobicContact CE3-CB 4.33Å; W429-F432 PolarHBondContact O-N 3.02Å; F432-T434 VanDerWaalsContact C-N 3.31Å; F432-T434 PolarHBondContact O-N 3.16Å; F432-T435 PolarHBondContact O-N 2.86Å; F432-L436 WeakPolarHBondContact O-CB 3.34Å; F432-L436 VanDerWaalsContact O-CG 3.28Å; F432-L436 WeakPolarHBondContact O-CG 3.21Å; F432-L436 PolarHBondContact O-N 3.05Å
433T93.5Very high80.5Confident33 Ų3352.8 Ų52.820%0.20230%0.302CS..Hα-helixtrans-63.4-37.3-178.350.50000112.3W429 P430 N437W429-T433 HydrophobicContact CD2-CG2 3.84Å; W429-T433 VanDerWaalsContact CE2-CG2 3.41Å; W429-T433 HydrophobicContact CE3-CG2 4.27Å; W429-T433 HydrophobicContact CG-CG2 4.42Å; W429-T433 HydrophobicContact CH2-CG2 4Å; W429-T433 HydrophobicContact CZ2-CG2 3.5Å; W429-T433 HydrophobicContact CZ3-CG2 4.35Å; W429-T433 WeakPolarHBondContact O-CG2 3.34Å; W429-T433 PolarHBondContact O-N 2.95Å; W429-T433 PolarHBondContact O-OG1 3.12Å; P430-T433 WeakPolarHBondContact CA-OG1 3.2Å; P430-T433 PolarHBondContact O-OG1 3.06Å; T433-N437 WeakPolarHBondContact O-CB 3.33Å; T433-N437 PolarHBondContact O-N 3.34Å; T433-N437 PolarHBondContact O-ND2 2.78Å
434T92.7Very high77.5Confident29 Ų2959.9 Ų59.918%0.17836%0.36CS..Hα-helixtrans-69.3-43.7176.9-58.20000111.7P430 V431 F432 L436 N437 G438 G439 V441P430-T434 WeakPolarHBondContact O-CB 3.22Å; P430-T434 PolarHBondContact O-N 3.48Å; P430-T434 PolarHBondContact O-OG1 3.44Å; V431-T434 PolarHBondContact O-N 3Å; F432-T434 VanDerWaalsContact C-N 3.31Å; F432-T434 PolarHBondContact O-N 3.16Å; T434-L436 PolarHBondContact O-N 3.42Å; T434-N437 PolarHBondContact O-N 3.08Å; T434-G438 PolarHBondContact O-N 3.49Å; T434-G438 VanDerWaalsContact O-N 3.08Å; T434-G439 WeakPolarHBondContact CG2-O 3.34Å; T434-G439 PolarHBondContact O-N 2.72Å; T434-V441 HydrophobicContact CG2-CB 4.31Å; T434-V441 HydrophobicContact CG2-CG2 3.45Å; T434-V441 VanDerWaalsContact CG2-CG2 3.45Å
435T92.9Very high76.5Confident10 Ų1062.7 Ų62.76%0.06138%0.378CS..Hα-helixtrans-62-41.4175-64.30000111.9V102 R127 I129 D166 V431 F432 G438V102-T435 HydrophobicContact CG2-CG2 4.47Å; R127-T435 HydrophobicContact CB-CG2 3.48Å; R127-T435 VanDerWaalsContact CB-CG2 3.48Å; R127-T435 HydrophobicContact CG-CG2 3.85Å; I129-T435 HydrophobicContact CD1-CG2 4.16Å; I129-T435 HydrophobicContact CG1-CG2 4.13Å; D166-T435 HydrophobicContact CB-CG2 4.18Å; V431-T435 VanDerWaalsContact O-CB 3.31Å; V431-T435 WeakPolarHBondContact O-CB 3.47Å; V431-T435 PolarHBondContact O-N 3.39Å; V431-T435 PolarHBondContact O-OG1 2.9Å; F432-T435 PolarHBondContact O-N 2.86Å; T435-G438 PolarHBondContact O-N 3.06Å
436L87.9Confident75.4Confident46 Ų4660.7 Ų60.724%0.24137%0.373CS..Hα-helixtrans-61.9-44.9175-77.3168.5000112.2A10 D101 V102 F432 T434 G438A10-L436 HydrophobicContact CB-CD1 4.03Å; A10-L436 HydrophobicContact CB-CD2 4.31Å; D101-L436 HydrophobicContact CB-CD2 3.45Å; D101-L436 VanDerWaalsContact CB-CD2 3.45Å; V102-L436 HydrophobicContact CG2-CD2 3.53Å; V102-L436 HydrophobicContact CG2-CG 3.87Å; F432-L436 WeakPolarHBondContact O-CB 3.34Å; F432-L436 VanDerWaalsContact O-CG 3.28Å; F432-L436 WeakPolarHBondContact O-CG 3.21Å; F432-L436 PolarHBondContact O-N 3.05Å; T434-L436 PolarHBondContact O-N 3.42Å; L436-G438 VanDerWaalsContact C-N 3.27Å; L436-G438 PolarHBondContact O-N 3.03Å
437N84Confident74.2Confident84 Ų8456.1 Ų56.145%0.44936%0.359SS..Hα-helixtrans-80.6-3.6-177.5-64.7-30.6000113.7Q6 T433 T434 G439Q6-N437 PolarHBondContact OE1-OD1 3.23Å; T433-N437 WeakPolarHBondContact O-CB 3.33Å; T433-N437 PolarHBondContact O-N 3.34Å; T433-N437 PolarHBondContact O-ND2 2.78Å; T434-N437 PolarHBondContact O-N 3.08Å; N437-G439 VanDerWaalsContact C-N 3.25Å; N437-G439 PolarHBondContact O-N 3.09Å
438G70.5Confident72.8Confident51 Ų5156.8 Ų56.853%0.52637%0.367SS..THydrogen-bonded Turntrans69.318.1-173.700000114.6T434 T435 L436T434-G438 PolarHBondContact O-N 3.49Å; T434-G438 VanDerWaalsContact O-N 3.08Å; T435-G438 PolarHBondContact O-N 3.06Å; L436-G438 VanDerWaalsContact C-N 3.27Å; L436-G438 PolarHBondContact O-N 3.03Å
439G52.3Low71.3Confident31 Ų3160.3 Ų60.332%0.3239%0.389SS..  trans-79.1162.3179.900000113.2T434 N437T434-G439 WeakPolarHBondContact CG2-O 3.34Å; T434-G439 PolarHBondContact O-N 2.72Å; N437-G439 VanDerWaalsContact C-N 3.25Å; N437-G439 PolarHBondContact O-N 3.09Å
440N39.4Very low69.5Low130 Ų13062.3 Ų62.370%0.69541%0.408SS*.  trans-84.3124.9166.4-83-30.4000109.1R186 A442R186-N440 PolarHBondContact NH2-OD1 3.33Å; N440-A442 PolarHBondContact O-N 2.7Å; N440-A442 VanDerWaalsContact O-N 3.16Å
441V41Very low67.6Low50 Ų5063.1 Ų63.130%0.30341%0.414SS..  trans-68.6109.7165.9-178.80000106.1T434 Q443T434-V441 HydrophobicContact CG2-CB 4.31Å; T434-V441 HydrophobicContact CG2-CG2 3.45Å; T434-V441 VanDerWaalsContact CG2-CG2 3.45Å; V441-Q443 PolarHBondContact O-N 3.02Å
442A33.9Very low65.4Low88 Ų8867.8 Ų67.873%0.72744%0.444SS*.  trans-60123.1169.400000107.5N440 A444N440-A442 PolarHBondContact O-N 2.7Å; N440-A442 VanDerWaalsContact O-N 3.16Å; A442-A444 PolarHBondContact O-N 2.75Å; A442-A444 VanDerWaalsContact O-N 3.11Å
443Q31.9Very low62.9Low180 Ų18073.3 Ų73.384%0.84148%0.481SS*.  trans-56.3116.4177.7-68.9173.9-18.800108.4V441V441-Q443 PolarHBondContact O-N 3.02Å
444A34.8Very low60.1Low148 Ų14877 Ų77100%1.22351%0.506SS*.  trans-83.20161.200000109.1A442A442-A444 PolarHBondContact O-N 2.75Å; A442-A444 VanDerWaalsContact O-N 3.11Å

Retrieved 444 of 444 residues in 1246 ms (Link to these results)

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