A0A077ZKG2_TRITR Loading...

GTP binding protein Rheb

AlphaFold DB , UniProt , Accession A0A077ZKG2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 231 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
1M51.6Low78.9Confident236 Ų236100.5 Ų100.5100%1.16352%0.516SS*.  0133.20-76.9176.9168.600107.7
2P53.5Low79.8Confident117 Ų11792.2 Ų92.276%0.7647%0.474SS*.PPolyproline II helixtrans-63.9147.7172.827.1-31.8000109.9
3P69.2Low80.6Confident115 Ų11585.1 Ų85.175%0.74744%0.437SS*.PPolyproline II helixtrans-58.6143.5176.223.3-31000110.2
4R68Low81Confident176 Ų17679.2 Ų79.266%0.66441%0.407SS*.PPolyproline II helixtrans-57.4133.4176.7-173.8-176.5-64.8-160.31.4108.3Q6R4-Q6 PolarHBondContact O-N 3.19Å
5P76.3Confident81.4Confident120 Ų12074.1 Ų74.178%0.77938%0.382SS*.PPolyproline II helixtrans-54.1125.8175-23.832.4000110.2
6Q85.8Confident81.5Confident64 Ų6471.6 Ų71.630%0.29937%0.366SS..PPolyproline II helixtrans-98.6139.5178.3-70.2171.2-7.800109.4R4 E8 E53 S60 Q62R4-Q6 PolarHBondContact O-N 3.19Å; Q6-E8 PolarHBondContact O-N 2.79Å; Q6-E53 PolarHBondContact NE2-OE1 2.95Å; Q6-S60 WeakPolarHBondContact CA-O 3.45Å; Q6-Q62 HydrophobicContact CB-CB 4.06Å
7I93.9Very high81.3Confident47 Ų4772.5 Ų72.524%0.24136%0.364CS..EExtended strand (participates in β ladder)trans-78.4114.8174.3-61.3173.4000108.1R9 R59 S60 Y61 Q62I7-R9 VanDerWaalsContact CG2-NH2 3.3Å; I7-R59 HydrophobicContact CD1-CB 4.3Å; I7-S60 PolarHBondContact N-O 3.38Å; I7-Y61 HydrophobicContact CB-CD1 3.59Å; I7-Y61 HydrophobicContact CB-CE1 3.73Å; I7-Y61 HydrophobicContact CB-CG 4.29Å; I7-Y61 HydrophobicContact CD1-CE1 3.94Å; I7-Y61 HydrophobicContact CG1-CE1 4.44Å; I7-Y61 HydrophobicContact CG2-CD1 3.67Å; I7-Y61 HydrophobicContact CG2-CE1 3.55Å; I7-Y61 CarbonylContact O-C 3.59Å; I7-Y61 VanDerWaalsContact O-CA 3.24Å; I7-Y61 WeakPolarHBondContact O-CA 3.46Å; I7-Q62 PolarHBondContact O-N 3.33Å
8E93.1Very high81.3Confident124 Ų12472.6 Ų72.658%0.57937%0.373SS*.EExtended strand (participates in β ladder)trans-78.4131.8179-64.8-176.1-176.100111.5Q6 Q62Q6-E8 PolarHBondContact O-N 2.79Å; E8-Q62 WeakPolarHBondContact CA-O 3.21Å; E8-Q62 HydrophobicContact CG-CB 4.38Å
9R93.7Very high81.7Confident26 Ų2668.9 Ų68.910%0.09835%0.354CS..EExtended strand (participates in β ladder)trans-136131.2172.1-64.2-64.3-179.7-104.71.9110.5I7 Y61 Q62 L63 H64 L210 V213 E214I7-R9 VanDerWaalsContact CG2-NH2 3.3Å; R9-Y61 HydrophobicContact CG-CD1 4.04Å; R9-Y61 HydrophobicContact CG-CE1 4.43Å; R9-Q62 PolarHBondContact N-O 2.88Å; R9-L63 HydrophobicContact CB-CD2 3.76Å; R9-L63 HydrophobicContact CG-CD2 4.35Å; R9-L63 WeakPolarHBondContact O-CA 3.41Å; R9-H64 PolarHBondContact O-N 2.95Å; R9-L210 HydrophobicContact CG-CD1 4.07Å; R9-V213 HydrophobicContact CG-CG1 4.48Å; R9-E214 IonicContact CZ-OE1 3.18Å; R9-E214 IonicContact NE-OE1 3.14Å; R9-E214 PolarHBondContact NE-OE1 3.5Å; R9-E214 IonicContact NH2-OE1 2.77Å; R9-E214 PolarHBondContact NH2-OE1 3.23Å; R9-E214 IonicContact NH2-OE2 3.95Å; R9-E214 PolarHBondContact NH2-OE2 3.18Å
10K91.4Very high82.1Confident79 Ų7966 Ų6634%0.34334%0.342SS..EExtended strand (participates in β ladder)trans-96124.3174.5-60.1-173.2-177.7178.80109.6H64 F66 G102 H104 G105K10-H64 WeakPolarHBondContact CA-O 3.22Å; K10-H64 HydrophobicContact CG-CB 4.46Å; K10-F66 HydrophobicContact CB-CD2 4.3Å; K10-F66 HydrophobicContact CB-CE2 3.69Å; K10-F66 HydrophobicContact CD-CE2 3.95Å; K10-F66 HydrophobicContact CD-CZ 4.09Å; K10-F66 HydrophobicContact CG-CE2 3.79Å; K10-F66 HydrophobicContact CG-CZ 4.33Å; K10-G102 WeakPolarHBondContact CB-O 3.48Å; K10-H104 PolarHBondContact N-ND1 3.3Å; K10-H104 PolarHBondContact O-N 2.98Å; K10-G105 PolarHBondContact O-N 3Å
11I91.7Very high82.4Confident1 Ų163.2 Ų63.21%0.00533%0.327CS..EExtended strand (participates in β ladder)trans-120.9127.2-179.7-63.9167.2000108.4L63 H64 L65 F66 G105 V107 F206 L209I11-L63 HydrophobicContact CD1-CB 4.41Å; I11-L63 HydrophobicContact CD1-CD1 4.1Å; I11-L63 HydrophobicContact CD1-CD2 4.17Å; I11-L63 HydrophobicContact CD1-CG 4.47Å; I11-H64 PolarHBondContact N-O 3.31Å; I11-L65 HydrophobicContact CB-CD2 3.67Å; I11-L65 HydrophobicContact CD1-CD2 4.02Å; I11-L65 HydrophobicContact CG1-CD2 4.39Å; I11-L65 HydrophobicContact CG2-CD2 3.97Å; I11-L65 WeakPolarHBondContact O-CA 3.39Å; I11-F66 PolarHBondContact O-N 3.38Å; I11-G105 WeakPolarHBondContact CA-O 3.44Å; I11-V107 HydrophobicContact CG2-CG2 3.88Å; I11-F206 HydrophobicContact CD1-CD1 4.05Å; I11-F206 HydrophobicContact CD1-CE1 4.43Å; I11-F206 HydrophobicContact CG2-CE1 4.42Å; I11-L209 HydrophobicContact CB-CD2 4.44Å; I11-L209 HydrophobicContact CD1-CD2 4.01Å; I11-L209 HydrophobicContact CG1-CD2 4.06Å; I11-L209 HydrophobicContact CG2-CD2 3.56Å
12A89.7Confident84Confident1 Ų153 Ų531%0.00828%0.279CS..EExtended strand (participates in β ladder)trans-98.7129.817600000110.3M14 V103 G105 Y106 V107A12-M14 HydrophobicContact CB-CE 3.33Å; A12-V103 HydrophobicContact CB-CG1 3.86Å; A12-V103 HydrophobicContact CB-CG2 4.12Å; A12-G105 PolarHBondContact N-O 3.38Å; A12-Y106 HydrophobicContact CB-CD1 4.37Å; A12-V107 PolarHBondContact O-N 3.04Å
13I89.3Confident85.8Confident0 Ų048.4 Ų48.40%025%0.249CC..EExtended strand (participates in β ladder)trans-106119.8177.6-55.7173.6000107.5K21 T25 L65 F66 T68 V107 V109 F206I13-K21 HydrophobicContact CG2-CB 3.73Å; I13-K21 HydrophobicContact CG2-CD 4.2Å; I13-K21 HydrophobicContact CG2-CG 3.92Å; I13-T25 WeakPolarHBondContact CD1-OG1 3.25Å; I13-L65 HydrophobicContact CD1-CB 4.18Å; I13-L65 HydrophobicContact CD1-CD1 3.93Å; I13-L65 HydrophobicContact CD1-CD2 4.44Å; I13-L65 HydrophobicContact CD1-CG 4.42Å; I13-F66 PolarHBondContact N-O 3.36Å; I13-T68 PolarHBondContact O-N 3.04Å; I13-T68 PolarHBondContact O-OG1 3.2Å; I13-V107 HydrophobicContact CG1-CB 4.22Å; I13-V107 HydrophobicContact CG1-CG2 4.36Å; I13-V107 HydrophobicContact CG2-CB 4.4Å; I13-V107 HydrophobicContact CG2-CG1 4.49Å; I13-V109 HydrophobicContact CG2-CG2 3.88Å; I13-F206 HydrophobicContact CD1-CZ 4.32Å
14M87.3Confident86.9Confident3 Ų342.9 Ų42.92%0.01521%0.214CC..EExtended strand (participates in β ladder)trans-132.7162.7-170.3-53-175.7-162.600111.9A12 T68 F95 Y106 V107 L108 V109 I140 I144A12-M14 HydrophobicContact CB-CE 3.33Å; M14-T68 HydrophobicContact CG-CG2 4.18Å; M14-F95 HydrophobicContact CE-CD2 3.56Å; M14-F95 HydrophobicContact CE-CE1 4.48Å; M14-F95 HydrophobicContact CE-CE2 3.06Å; M14-F95 HydrophobicContact CE-CZ 3.59Å; M14-F95 HydrophobicContact SD-CD2 4.1Å; M14-F95 HydrophobicContact SD-CE2 4.18Å; M14-Y106 HydrophobicContact CE-CD1 3.33Å; M14-Y106 HydrophobicContact CE-CE1 3.63Å; M14-Y106 HydrophobicContact SD-CD1 4.36Å; M14-V107 PolarHBondContact N-O 3.44Å; M14-L108 HydrophobicContact CB-CD2 4.03Å; M14-V109 PolarHBondContact O-N 3.12Å; M14-I140 HydrophobicContact CB-CD1 4.4Å; M14-I140 HydrophobicContact CB-CG2 3.96Å; M14-I140 HydrophobicContact CG-CG2 4.43Å; M14-I140 HydrophobicContact SD-CG2 3.5Å; M14-I140 WeakPolarHBondContact SD-CG2 3.44Å; M14-I144 HydrophobicContact CE-CD1 4.31Å; M14-I144 HydrophobicContact CE-CG1 4.4Å; M14-I144 HydrophobicContact SD-CD1 3.86Å; M14-I144 HydrophobicContact SD-CG1 4.17Å
15G86Confident88.1Confident3 Ų334.5 Ų34.53%0.03118%0.182CC..  trans137.2168.8-17400000111.6K21 V109G15-K21 PolarHBondContact O-NZ 2.77Å; G15-V109 WeakPolarHBondContact CA-O 3.4Å
16Y83.2Confident88.8Confident33 Ų3330 Ų3013%0.12915%0.151CC..SBendtrans-61.2165.7-176.7-165.5-111000112.7V19 K21 Q71 L73 L133 V136Y16-V19 WeakPolarHBondContact O-CG2 3.28Å; Y16-K21 PolarHBondContact O-NZ 2.97Å; Y16-Q71 WeakPolarHBondContact CD2-O 3.39Å; Y16-Q71 VanDerWaalsContact CE2-O 3.29Å; Y16-Q71 WeakPolarHBondContact CE2-O 3.4Å; Y16-L73 HydrophobicContact CE2-CG 4.03Å; Y16-L73 WeakPolarHBondContact OH-CB 3.46Å; Y16-L73 WeakPolarHBondContact OH-CD1 3.44Å; Y16-L73 WeakPolarHBondContact OH-CG 3.24Å; Y16-L73 PolarHBondContact OH-N 2.92Å; Y16-L133 HydrophobicContact CD1-CD2 3.32Å; Y16-L133 HydrophobicContact CD1-CG 3.63Å; Y16-L133 HydrophobicContact CE1-CD1 4.37Å; Y16-L133 HydrophobicContact CE1-CD2 3.65Å; Y16-L133 HydrophobicContact CE1-CG 3.96Å; Y16-L133 HydrophobicContact CG-CD2 4.2Å; Y16-L133 HydrophobicContact CG-CG 4.08Å; Y16-V136 HydrophobicContact CD2-CG1 4.28Å; Y16-V136 HydrophobicContact CD2-CG2 4.07Å; Y16-V136 HydrophobicContact CG-CG2 4.48Å
17R77.9Confident89.1Confident87 Ų8727.5 Ų27.533%0.32814%0.14SC..THydrogen-bonded Turntrans-59.2150172.5-174.9172.6175.9178.8-0110.8V19R17-V19 PolarHBondContact O-N 2.87Å
18S81.9Confident89.1Confident74 Ų7426 Ų2652%0.51713%0.131SC..THydrogen-bonded Turntrans657.7172.9-157.80000115.9G20 K165S18-G20 PolarHBondContact O-N 2.82Å; S18-K165 WeakPolarHBondContact O-CE 3.09Å; S18-K165 PolarHBondContact O-NZ 3.07Å
19V88.3Confident89.1Confident3 Ų320.7 Ų20.72%0.01811%0.107CC..SBendtrans-75.8-11.7173.8-56.30000113.2Y16 R17 K21 V109 A111 N164Y16-V19 WeakPolarHBondContact O-CG2 3.28Å; R17-V19 PolarHBondContact O-N 2.87Å; V19-K21 HydrophobicContact CG2-CG 3.75Å; V19-V109 HydrophobicContact CB-CG1 4.23Å; V19-V109 HydrophobicContact CG2-CB 3.88Å; V19-V109 HydrophobicContact CG2-CG1 3.74Å; V19-A111 HydrophobicContact CB-CB 4.31Å; V19-A111 HydrophobicContact CG1-CB 4.45Å; V19-N164 PolarHBondContact O-ND2 3.4Å
20G89.2Confident88.9Confident11 Ų1123.3 Ų23.311%0.11312%0.121CC..SBendtrans96.426.7177.300000115.4S18 S23 I24S18-G20 PolarHBondContact O-N 2.82Å; G20-S23 WeakPolarHBondContact O-CB 3.42Å; G20-S23 PolarHBondContact O-N 2.89Å; G20-I24 WeakPolarHBondContact O-CG1 3.39Å; G20-I24 PolarHBondContact O-N 2.78Å
21K88.5Confident88.9Confident8 Ų824.7 Ų24.74%0.03513%0.132CC..Hα-helixtrans-53.4-57.4172.6-60.6-171.5-57.8-69.60111.9I13 G15 Y16 V19 S23 I24 T25 D67 T68 V109I13-K21 HydrophobicContact CG2-CB 3.73Å; I13-K21 HydrophobicContact CG2-CD 4.2Å; I13-K21 HydrophobicContact CG2-CG 3.92Å; G15-K21 PolarHBondContact O-NZ 2.77Å; Y16-K21 PolarHBondContact O-NZ 2.97Å; V19-K21 HydrophobicContact CG2-CG 3.75Å; K21-S23 VanDerWaalsContact C-N 3.26Å; K21-S23 PolarHBondContact O-N 3.27Å; K21-I24 WeakPolarHBondContact O-CB 3.35Å; K21-I24 PolarHBondContact O-N 3.43Å; K21-T25 PolarHBondContact O-N 3.47Å; K21-T25 PolarHBondContact O-OG1 3.24Å; K21-D67 VanDerWaalsContact CB-OD1 3.23Å; K21-D67 WeakPolarHBondContact CB-OD1 3.44Å; K21-T68 WeakPolarHBondContact CE-O 3.31Å; K21-V109 HydrophobicContact CG-CB 4.12Å; K21-V109 HydrophobicContact CG-CG2 4.19Å
22S86.5Confident88.7Confident21 Ų2131.5 Ų31.515%0.14716%0.158CC..Hα-helixtrans-58.7-37.8178.2-380000112.1T25 L26 D67S22-T25 WeakPolarHBondContact O-CB 3.41Å; S22-T25 PolarHBondContact O-N 2.91Å; S22-L26 WeakPolarHBondContact O-CB 3.47Å; S22-L26 VanDerWaalsContact O-CG 3.31Å; S22-L26 WeakPolarHBondContact O-CG 3.47Å; S22-L26 PolarHBondContact O-N 3.31Å; S22-D67 WeakPolarHBondContact CA-OD2 3.44Å; S22-D67 WeakPolarHBondContact CB-OD2 3.49Å; S22-D67 PolarHBondContact OG-OD2 3.21Å
23S90.4Very high88.5Confident20 Ų2035.3 Ų35.314%0.1417%0.174CC..Hα-helixtrans-63.4-43.3174.6-52.10000112.1G20 K21 Q27G20-S23 WeakPolarHBondContact O-CB 3.42Å; G20-S23 PolarHBondContact O-N 2.89Å; K21-S23 VanDerWaalsContact C-N 3.26Å; K21-S23 PolarHBondContact O-N 3.27Å; S23-Q27 WeakPolarHBondContact O-CB 3.45Å; S23-Q27 PolarHBondContact O-N 3Å
24I93.4Very high87.7Confident0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-62.2-45.7174-69.7168.9000110.1G20 K21 Q27 F28 V109 V162 N164 A196 I202 L205 F206G20-I24 WeakPolarHBondContact O-CG1 3.39Å; G20-I24 PolarHBondContact O-N 2.78Å; K21-I24 WeakPolarHBondContact O-CB 3.35Å; K21-I24 PolarHBondContact O-N 3.43Å; I24-Q27 PolarHBondContact O-N 3.48Å; I24-F28 WeakPolarHBondContact O-CB 3.46Å; I24-F28 PolarHBondContact O-N 2.75Å; I24-V109 HydrophobicContact CD1-CG1 3.83Å; I24-V109 HydrophobicContact CD1-CG2 3.97Å; I24-V162 HydrophobicContact CD1-CG1 4.32Å; I24-N164 HydrophobicContact CD1-CB 4.18Å; I24-A196 HydrophobicContact CG1-CB 4Å; I24-I202 HydrophobicContact CG1-CD1 4.05Å; I24-I202 HydrophobicContact CG2-CD1 4.32Å; I24-L205 HydrophobicContact CG2-CD2 3.87Å; I24-F206 HydrophobicContact CG2-CE2 4.12Å; I24-F206 HydrophobicContact CG2-CZ 4.15Å
25T91.6Very high86.7Confident0 Ų045.4 Ų45.40%023%0.231CC..Hα-helixtrans-57-57.1179.2-540000111I13 K21 S22 Q27 F28 T29 F50 L65I13-T25 WeakPolarHBondContact CD1-OG1 3.25Å; K21-T25 PolarHBondContact O-N 3.47Å; K21-T25 PolarHBondContact O-OG1 3.24Å; S22-T25 WeakPolarHBondContact O-CB 3.41Å; S22-T25 PolarHBondContact O-N 2.91Å; T25-Q27 PolarHBondContact O-N 3.21Å; T25-F28 PolarHBondContact O-N 2.95Å; T25-T29 WeakPolarHBondContact O-CG2 3.5Å; T25-T29 PolarHBondContact O-N 2.88Å; T25-T29 PolarHBondContact O-OG1 2.83Å; T25-F50 HydrophobicContact CG2-CB 3.75Å; T25-F50 HydrophobicContact CG2-CD1 4.45Å; T25-F50 HydrophobicContact CG2-CD2 3.37Å; T25-F50 HydrophobicContact CG2-CE2 4.04Å; T25-F50 HydrophobicContact CG2-CG 3.6Å; T25-L65 HydrophobicContact CG2-CB 4.07Å; T25-L65 HydrophobicContact CG2-CD1 3.99Å
26L91Very high85.4Confident24 Ų2449.7 Ų49.713%0.12626%0.26CS..Hα-helixtrans-64-39.3-179-68.6171.5000112.2S22 F28 E30 N31 R32 P34 F50S22-L26 WeakPolarHBondContact O-CB 3.47Å; S22-L26 VanDerWaalsContact O-CG 3.31Å; S22-L26 WeakPolarHBondContact O-CG 3.47Å; S22-L26 PolarHBondContact O-N 3.31Å; L26-F28 VanDerWaalsContact C-N 3.29Å; L26-F28 PolarHBondContact O-N 3.23Å; L26-E30 WeakPolarHBondContact CD2-OE2 3.48Å; L26-E30 CarbonylContact O-C 3.58Å; L26-E30 WeakPolarHBondContact O-CA 3.44Å; L26-E30 WeakPolarHBondContact O-CB 3.45Å; L26-E30 PolarHBondContact O-N 2.86Å; L26-N31 PolarHBondContact O-N 3.07Å; L26-R32 CarbonylContact C-O 3.57Å; L26-P34 HydrophobicContact CD1-CB 4.38Å; L26-P34 HydrophobicContact CD1-CG 3.94Å; L26-F50 HydrophobicContact CD2-CD1 4.21Å; L26-F50 HydrophobicContact CD2-CE1 3.48Å; L26-F50 VanDerWaalsContact CD2-CE1 3.48Å; L26-F50 HydrophobicContact CD2-CZ 3.87Å
27Q92.8Very high83.9Confident13 Ų1353.6 Ų53.66%0.06128%0.275CS..Hα-helixtrans-63.5-39.5177.3-170.66334.400111.2S23 I24 T25 N31 R32 A196 N199 I202S23-Q27 WeakPolarHBondContact O-CB 3.45Å; S23-Q27 PolarHBondContact O-N 3Å; I24-Q27 PolarHBondContact O-N 3.48Å; T25-Q27 PolarHBondContact O-N 3.21Å; Q27-N31 PolarHBondContact NE2-OD1 3.13Å; Q27-N31 WeakPolarHBondContact O-CA 3.42Å; Q27-N31 PolarHBondContact O-N 3.49Å; Q27-N31 VanDerWaalsContact O-N 3.15Å; Q27-R32 WeakPolarHBondContact CA-O 3.43Å; Q27-R32 PolarHBondContact N-O 2.89Å; Q27-R32 PolarHBondContact OE1-O 2.66Å; Q27-A196 VanDerWaalsContact CG-O 3.25Å; Q27-A196 WeakPolarHBondContact CG-O 3.41Å; Q27-A196 PolarHBondContact OE1-O 2.78Å; Q27-N199 HydrophobicContact CG-CB 3.97Å; Q27-N199 WeakPolarHBondContact CG-OD1 3.22Å; Q27-N199 VanDerWaalsContact NE2-CB 3.3Å; Q27-N199 PolarHBondContact NE2-ND2 2.85Å; Q27-I202 HydrophobicContact CG-CG1 4.2Å
28F95.1Very high82.6Confident15 Ų1554.9 Ų54.97%0.06629%0.289CS..Hα-helixtrans-73.5-45.7178.3-179.8-111.9000113.1I24 T25 L26 K52 F54 L63 L65 I202 F206I24-F28 WeakPolarHBondContact O-CB 3.46Å; I24-F28 PolarHBondContact O-N 2.75Å; T25-F28 PolarHBondContact O-N 2.95Å; L26-F28 VanDerWaalsContact C-N 3.29Å; L26-F28 PolarHBondContact O-N 3.23Å; F28-K52 HydrophobicContact CD1-CB 4.15Å; F28-K52 HydrophobicContact CD1-CG 4.15Å; F28-K52 HydrophobicContact CE1-CB 3.74Å; F28-K52 HydrophobicContact CE1-CG 3.73Å; F28-K52 HydrophobicContact CZ-CB 4.47Å; F28-K52 HydrophobicContact CZ-CG 4.04Å; F28-K52 WeakPolarHBondContact O-CE 3.37Å; F28-F54 AromaticContact CE2-CD2 3.77Å; F28-F54 HydrophobicContact CE2-CD2 3.77Å; F28-F54 AromaticContact CE2-CE2 3.7Å; F28-F54 HydrophobicContact CE2-CE2 3.7Å; F28-F54 HydrophobicContact CE2-CZ 4.46Å; F28-F54 HydrophobicContact CZ-CB 4.49Å; F28-F54 AromaticContact CZ-CD2 3.58Å; F28-F54 HydrophobicContact CZ-CD2 3.58Å; F28-F54 AromaticContact CZ-CE2 3.96Å; F28-F54 HydrophobicContact CZ-CE2 3.96Å; F28-F54 HydrophobicContact CZ-CG 4.04Å; F28-L63 HydrophobicContact CE1-CD1 4.01Å; F28-L63 HydrophobicContact CZ-CD1 3.88Å; F28-L65 HydrophobicContact CD1-CD1 3.64Å; F28-L65 HydrophobicContact CE1-CD1 4.31Å; F28-I202 HydrophobicContact CB-CG2 3.73Å; F28-I202 HydrophobicContact CD2-CG2 4.19Å; F28-I202 HydrophobicContact CG-CG2 4.42Å; F28-F206 HydrophobicContact CB-CD2 4.09Å; F28-F206 HydrophobicContact CB-CE2 3.51Å; F28-F206 HydrophobicContact CB-CZ 4.17Å; F28-F206 HydrophobicContact CD1-CD1 4.44Å; F28-F206 AromaticContact CD1-CD2 3.84Å; F28-F206 HydrophobicContact CD1-CD2 3.84Å; F28-F206 HydrophobicContact CD1-CE1 4.31Å; F28-F206 AromaticContact CD1-CE2 3.71Å; F28-F206 HydrophobicContact CD1-CE2 3.71Å; F28-F206 HydrophobicContact CD1-CG 4.22Å; F28-F206 AromaticContact CD1-CZ 3.94Å; F28-F206 HydrophobicContact CD1-CZ 3.94Å; F28-F206 HydrophobicContact CD2-CB 4.49Å; F28-F206 AromaticContact CD2-CD2 3.22Å; F28-F206 HydrophobicContact CD2-CD2 3.22Å; F28-F206 AromaticContact CD2-CE2 3.6Å; F28-F206 HydrophobicContact CD2-CE2 3.6Å; F28-F206 AromaticContact CD2-CG 4Å; F28-F206 HydrophobicContact CD2-CG 4Å; F28-F206 HydrophobicContact CE1-CD1 4.17Å; F28-F206 HydrophobicContact CE1-CD2 4.01Å; F28-F206 HydrophobicContact CE1-CE1 4.42Å; F28-F206 HydrophobicContact CE1-CE2 4.28Å; F28-F206 AromaticContact CE1-CG 3.96Å; F28-F206 HydrophobicContact CE1-CG 3.96Å; F28-F206 HydrophobicContact CE1-CZ 4.47Å; F28-F206 HydrophobicContact CE2-CB 3.81Å; F28-F206 AromaticContact CE2-CD2 3.42Å; F28-F206 HydrophobicContact CE2-CD2 3.42Å; F28-F206 VanDerWaalsContact CE2-CD2 3.42Å; F28-F206 HydrophobicContact CE2-CE2 4.21Å; F28-F206 AromaticContact CE2-CG 3.73Å; F28-F206 HydrophobicContact CE2-CG 3.73Å; F28-F206 AromaticContact CG-CD2 3.43Å; F28-F206 HydrophobicContact CG-CD2 3.43Å; F28-F206 VanDerWaalsContact CG-CD2 3.43Å; F28-F206 AromaticContact CG-CE2 3.3Å; F28-F206 HydrophobicContact CG-CE2 3.3Å; F28-F206 HydrophobicContact CG-CG 4.22Å; F28-F206 AromaticContact CG-CZ 3.98Å; F28-F206 HydrophobicContact CG-CZ 3.98Å; F28-F206 HydrophobicContact CZ-CB 3.82Å; F28-F206 HydrophobicContact CZ-CD1 4.31Å; F28-F206 AromaticContact CZ-CD2 3.81Å; F28-F206 HydrophobicContact CZ-CD2 3.81Å; F28-F206 AromaticContact CZ-CG 3.7Å; F28-F206 HydrophobicContact CZ-CG 3.7Å
29T91.8Very high81.1Confident12 Ų1254 Ų547%0.07428%0.282CS..Hα-helixtrans-78.3-41.8-173.456.30000111.7T25 F50 K52 L65T25-T29 WeakPolarHBondContact O-CG2 3.5Å; T25-T29 PolarHBondContact O-N 2.88Å; T25-T29 PolarHBondContact O-OG1 2.83Å; T29-F50 HydrophobicContact CG2-CB 3.56Å; T29-K52 HydrophobicContact CG2-CB 4.05Å; T29-K52 PolarHBondContact O-NZ 3.47Å; T29-L65 HydrophobicContact CG2-CD1 3.87Å; T29-L65 HydrophobicContact CG2-CG 4.44Å
30E90.3Very high79.2Confident81 Ų8156.3 Ų56.338%0.37930%0.296SS..Hα-helixtrans-119.80.5-166.6-66.2168.3-160.300113.4L26 R32 F50L26-E30 WeakPolarHBondContact CD2-OE2 3.48Å; L26-E30 CarbonylContact O-C 3.58Å; L26-E30 WeakPolarHBondContact O-CA 3.44Å; L26-E30 WeakPolarHBondContact O-CB 3.45Å; L26-E30 PolarHBondContact O-N 2.86Å; E30-R32 HydrophobicContact CB-CG 3.93Å; E30-R32 PolarHBondContact O-N 2.96Å; E30-R32 IonicContact OE2-CZ 3.86Å; E30-R32 IonicContact OE2-NE 2.63Å; E30-R32 PolarHBondContact OE2-NE 2.93Å; E30-R32 IonicContact OE2-NH2 3.07Å; E30-R32 PolarHBondContact OE2-NH2 2.85Å; E30-F50 WeakPolarHBondContact OE1-CD1 3.16Å; E30-F50 WeakPolarHBondContact OE1-CE1 3.17Å
31N92Very high77Confident108 Ų10860.9 Ų60.958%0.57832%0.316SS*.SBendtrans53.337.2-179.6-165.545.5000113.1L26 Q27 N199L26-N31 PolarHBondContact O-N 3.07Å; Q27-N31 PolarHBondContact NE2-OD1 3.13Å; Q27-N31 WeakPolarHBondContact O-CA 3.42Å; Q27-N31 PolarHBondContact O-N 3.49Å; Q27-N31 VanDerWaalsContact O-N 3.15Å; N31-N199 PolarHBondContact OD1-ND2 3.04Å
32R87.3Confident74.8Confident144 Ų14464 Ų6454%0.54334%0.343SS..  trans-137.6148.3178.368176.7179.7162.9-2.4112.1L26 Q27 E30L26-R32 CarbonylContact C-O 3.57Å; Q27-R32 WeakPolarHBondContact CA-O 3.43Å; Q27-R32 PolarHBondContact N-O 2.89Å; Q27-R32 PolarHBondContact OE1-O 2.66Å; E30-R32 HydrophobicContact CB-CG 3.93Å; E30-R32 PolarHBondContact O-N 2.96Å; E30-R32 IonicContact OE2-CZ 3.86Å; E30-R32 IonicContact OE2-NE 2.63Å; E30-R32 PolarHBondContact OE2-NE 2.93Å; E30-R32 IonicContact OE2-NH2 3.07Å; E30-R32 PolarHBondContact OE2-NH2 2.85Å
33F84.5Confident72.4Confident82 Ų8268.8 Ų68.836%0.3637%0.367SS..  trans-109.1126.4170.4-174.2-94.2000108.6A196 K197F33-A196 HydrophobicContact CD2-CB 4.2Å; F33-A196 HydrophobicContact CE2-CB 4.19Å; F33-K197 HydrophobicContact CD1-CG 4.29Å; F33-K197 VanDerWaalsContact CD2-CA 3.48Å; F33-K197 HydrophobicContact CD2-CB 4.12Å; F33-K197 HydrophobicContact CE1-CG 4.27Å; F33-K197 HydrophobicContact CE2-CB 3.97Å; F33-K197 HydrophobicContact CG-CB 4.43Å; F33-K197 HydrophobicContact CG-CG 4.45Å; F33-K197 HydrophobicContact CZ-CB 4.18Å; F33-K197 HydrophobicContact CZ-CG 4.4Å
34P73.6Confident69.8Low41 Ų4174.6 Ų74.627%0.26640%0.397SS..  trans-72.9131.8-176.229.2-34.5000111.8L26 S36L26-P34 HydrophobicContact CD1-CB 4.38Å; L26-P34 HydrophobicContact CD1-CG 3.94Å; P34-S36 VanDerWaalsContact C-N 3.29Å; P34-S36 PolarHBondContact O-N 2.65Å
35D66Low67.3Low174 Ų17483.4 Ų83.493%0.9344%0.443SS*.SBendtrans-66.9-30176.4-67.1-43000112.6
36S58.8Low64.8Low93 Ų9390.4 Ų90.465%0.6548%0.48SS*.SBendtrans-126.6138175.960.30000110.8P34 D38P34-S36 VanDerWaalsContact C-N 3.29Å; P34-S36 PolarHBondContact O-N 2.65Å; S36-D38 PolarHBondContact O-N 3.19Å; S36-D38 VanDerWaalsContact O-N 3.13Å
37Y51.1Low62.7Low114 Ų11491 Ų9145%0.44749%0.485SS..  trans-73.7100.9173.9178-95.8000108.9P39Y37-P39 HydrophobicContact CD1-CB 4.34Å; Y37-P39 HydrophobicContact CD1-CG 4.46Å; Y37-P39 HydrophobicContact CE1-CB 3.56Å; Y37-P39 HydrophobicContact CE1-CG 4.08Å; Y37-P39 VanDerWaalsContact O-CD 3.29Å; Y37-P39 WeakPolarHBondContact O-CD 3.46Å
38D51.1Low60.7Low114 Ų11492.9 Ų92.961%0.6150%0.503SS*.  trans-84.4106.7160.1-164.1-1.1000107.1S36 T40S36-D38 PolarHBondContact O-N 3.19Å; S36-D38 VanDerWaalsContact O-N 3.13Å; D38-T40 PolarHBondContact O-N 2.78Å
39P49.1Very low59.4Low57 Ų5794.2 Ų94.237%0.3752%0.516SS..  trans-55.2115.4173.317.7-24.9000107.6Y37 I41Y37-P39 HydrophobicContact CD1-CB 4.34Å; Y37-P39 HydrophobicContact CD1-CG 4.46Å; Y37-P39 HydrophobicContact CE1-CB 3.56Å; Y37-P39 HydrophobicContact CE1-CG 4.08Å; Y37-P39 VanDerWaalsContact O-CD 3.29Å; Y37-P39 WeakPolarHBondContact O-CD 3.46Å; P39-I41 VanDerWaalsContact C-N 3.33Å; P39-I41 WeakPolarHBondContact O-CG1 3.43Å; P39-I41 PolarHBondContact O-N 3.22Å
40T48.2Very low59Low51 Ų5195.7 Ų95.731%0.31352%0.522SS..  trans-38.9100.2177.3-49.40000108.9D38 A42D38-T40 PolarHBondContact O-N 2.78Å; T40-A42 PolarHBondContact O-N 2.97Å
41I43.7Very low59Low107 Ų10794.4 Ų94.455%0.54952%0.522SS..  trans-69.994.3-178.4-65.7-177.2000103.8P39 N43P39-I41 VanDerWaalsContact C-N 3.33Å; P39-I41 WeakPolarHBondContact O-CG1 3.43Å; P39-I41 PolarHBondContact O-N 3.22Å; I41-N43 HydrophobicContact CG2-CB 3.47Å; I41-N43 VanDerWaalsContact CG2-CB 3.47Å; I41-N43 VanDerWaalsContact CG2-ND2 3.25Å; I41-N43 WeakPolarHBondContact CG2-ND2 3.28Å; I41-N43 PolarHBondContact O-N 2.84Å
42A41.9Very low59Low73 Ų7392.5 Ų92.560%0.60351%0.508SS*.  trans-71.333.1171.900000111T40 N44T40-A42 PolarHBondContact O-N 2.97Å; A42-N44 PolarHBondContact O-N 3.04Å
43N37.3Very low59.3Low122 Ų12291.8 Ų91.865%0.65251%0.511SS*.  trans-93.791.3172.5-53.5-8.7000105.5I41I41-N43 HydrophobicContact CG2-CB 3.47Å; I41-N43 VanDerWaalsContact CG2-CB 3.47Å; I41-N43 VanDerWaalsContact CG2-ND2 3.25Å; I41-N43 WeakPolarHBondContact CG2-ND2 3.28Å; I41-N43 PolarHBondContact O-N 2.84Å
44N35.6Very low59.8Low142 Ų14288.7 Ų88.776%0.75950%0.498SS*.SBendtrans141.283.6153.9-67.6-16.9000109.4A42 D46A42-N44 PolarHBondContact O-N 3.04Å; N44-D46 PolarHBondContact O-N 2.68Å
45L41Very low60.8Low184 Ų18492.8 Ų92.896%0.96351%0.513SS*.SBendtrans36.8-11.3158.1-108.280.9000123.5
46D38.4Very low62.2Low147 Ų14785.4 Ų85.479%0.78647%0.473SS*.SBendtrans-123.5108.9174.4-67.7-45.1000106.6N44 A48N44-D46 PolarHBondContact O-N 2.68Å; D46-A48 PolarHBondContact O-N 3.16Å; D46-A48 VanDerWaalsContact O-N 3.16Å
47V47.6Very low63.8Low38 Ų3888.3 Ų88.323%0.2347%0.47CS..  trans-49.9127.4164.2-175.40000106.5A49 F66 Y99V47-A49 PolarHBondContact O-N 2.64Å; V47-F66 HydrophobicContact CB-CD1 4.46Å; V47-F66 HydrophobicContact CG1-CD1 4.37Å; V47-Y99 HydrophobicContact CB-CE1 4.48Å; V47-Y99 HydrophobicContact CG2-CD1 3.91Å; V47-Y99 HydrophobicContact CG2-CE1 3.13Å; V47-Y99 HydrophobicContact CG2-CE2 4.25Å; V47-Y99 WeakPolarHBondContact CG2-OH 3.25Å
48A51.6Low65.7Low52 Ų5285.3 Ų85.343%0.4347%0.473SS..  trans-58.193.2174.800000108.3D46 F50D46-A48 PolarHBondContact O-N 3.16Å; D46-A48 VanDerWaalsContact O-N 3.16Å; A48-F50 VanDerWaalsContact C-N 3.28Å; A48-F50 HydrophobicContact CB-CD2 4.42Å; A48-F50 HydrophobicContact CB-CE2 3.93Å; A48-F50 HydrophobicContact CB-CZ 4.27Å; A48-F50 WeakPolarHBondContact O-CD2 3.23Å; A48-F50 PolarHBondContact O-N 3.42Å
49A65.9Low67.7Low42 Ų4285.2 Ų85.235%0.34746%0.464SS..EExtended strand (participates in β ladder)trans-76.388.9176.700000106.4V47 S51 F66V47-A49 PolarHBondContact O-N 2.64Å; A49-S51 PolarHBondContact O-N 2.85Å; A49-S51 PolarHBondContact O-OG 3.3Å; A49-F66 HydrophobicContact CB-CE1 4.09Å; A49-F66 HydrophobicContact CB-CZ 4.27Å
50F84.5Confident69.8Low43 Ų4384.1 Ų84.119%0.18946%0.458CS..EExtended strand (participates in β ladder)trans-62.6123.8173.7-64.1-91.6000107.7T25 L26 T29 E30 A48 L65T25-F50 HydrophobicContact CG2-CB 3.75Å; T25-F50 HydrophobicContact CG2-CD1 4.45Å; T25-F50 HydrophobicContact CG2-CD2 3.37Å; T25-F50 HydrophobicContact CG2-CE2 4.04Å; T25-F50 HydrophobicContact CG2-CG 3.6Å; L26-F50 HydrophobicContact CD2-CD1 4.21Å; L26-F50 HydrophobicContact CD2-CE1 3.48Å; L26-F50 VanDerWaalsContact CD2-CE1 3.48Å; L26-F50 HydrophobicContact CD2-CZ 3.87Å; T29-F50 HydrophobicContact CG2-CB 3.56Å; E30-F50 WeakPolarHBondContact OE1-CD1 3.16Å; E30-F50 WeakPolarHBondContact OE1-CE1 3.17Å; A48-F50 VanDerWaalsContact C-N 3.28Å; A48-F50 HydrophobicContact CB-CD2 4.42Å; A48-F50 HydrophobicContact CB-CE2 3.93Å; A48-F50 HydrophobicContact CB-CZ 4.27Å; A48-F50 WeakPolarHBondContact O-CD2 3.23Å; A48-F50 PolarHBondContact O-N 3.42Å; F50-L65 HydrophobicContact CB-CB 4.4Å; F50-L65 PolarHBondContact N-O 3.05Å; F50-L65 PolarHBondContact O-N 3.34Å
51S89Confident72.1Confident54 Ų5481.9 Ų81.938%0.37844%0.444SS..EExtended strand (participates in β ladder)trans-113.2137.6-176.9-57.20000110.1A49 L63 H64A49-S51 PolarHBondContact O-N 2.85Å; A49-S51 PolarHBondContact O-OG 3.3Å; S51-L63 CarbonylContact C-O 3.46Å; S51-L63 VanDerWaalsContact CA-O 3.25Å; S51-L63 WeakPolarHBondContact CA-O 3.36Å; S51-H64 PolarHBondContact OG-ND1 3.15Å
52K92.3Very high74.5Confident69 Ų6978.6 Ų78.630%0.343%0.426SS..EExtended strand (participates in β ladder)trans-136.6123.7-179.9-175.657.1162.2-159.90110.1F28 T29 F54 L63F28-K52 HydrophobicContact CD1-CB 4.15Å; F28-K52 HydrophobicContact CD1-CG 4.15Å; F28-K52 HydrophobicContact CE1-CB 3.74Å; F28-K52 HydrophobicContact CE1-CG 3.73Å; F28-K52 HydrophobicContact CZ-CB 4.47Å; F28-K52 HydrophobicContact CZ-CG 4.04Å; F28-K52 WeakPolarHBondContact O-CE 3.37Å; T29-K52 HydrophobicContact CG2-CB 4.05Å; T29-K52 PolarHBondContact O-NZ 3.47Å; K52-F54 PolarHBondContact O-N 3.49Å; K52-L63 PolarHBondContact N-O 3.02Å; K52-L63 PolarHBondContact O-N 2.91Å
53E94.5Very high77Confident129 Ų12975.1 Ų75.160%0.60340%0.397SS*.EExtended strand (participates in β ladder)trans-64.9128.4164.4-66.7-170.6169.900109Q6 Y61 Q62Q6-E53 PolarHBondContact NE2-OE1 2.95Å; E53-Y61 WeakPolarHBondContact CA-O 3.46Å; E53-Q62 VanDerWaalsContact CG-OE1 3.25Å
54F95Very high79.6Confident17 Ų1770.9 Ų70.98%0.07537%0.374CS..EExtended strand (participates in β ladder)trans-138127-175.9-162.7-109.5000111.1F28 K52 F56 Y61 L63 R203 E207 L210F28-F54 AromaticContact CE2-CD2 3.77Å; F28-F54 HydrophobicContact CE2-CD2 3.77Å; F28-F54 AromaticContact CE2-CE2 3.7Å; F28-F54 HydrophobicContact CE2-CE2 3.7Å; F28-F54 HydrophobicContact CE2-CZ 4.46Å; F28-F54 HydrophobicContact CZ-CB 4.49Å; F28-F54 AromaticContact CZ-CD2 3.58Å; F28-F54 HydrophobicContact CZ-CD2 3.58Å; F28-F54 AromaticContact CZ-CE2 3.96Å; F28-F54 HydrophobicContact CZ-CE2 3.96Å; F28-F54 HydrophobicContact CZ-CG 4.04Å; K52-F54 PolarHBondContact O-N 3.49Å; F54-F56 HydrophobicContact CD1-CB 4.21Å; F54-F56 HydrophobicContact CE1-CB 4.19Å; F54-Y61 PolarHBondContact N-O 2.94Å; F54-Y61 WeakPolarHBondContact O-CB 3.38Å; F54-Y61 PolarHBondContact O-N 3.46Å; F54-L63 HydrophobicContact CB-CD1 3.8Å; F54-L63 HydrophobicContact CB-CG 3.99Å; F54-L63 HydrophobicContact CD1-CD1 4.09Å; F54-L63 HydrophobicContact CG-CD1 4.01Å; F54-R203 HydrophobicContact CE2-CG 4.06Å; F54-R203 HydrophobicContact CZ-CG 3.97Å; F54-E207 HydrophobicContact CE1-CG 3.72Å; F54-E207 HydrophobicContact CZ-CG 3.55Å; F54-L210 HydrophobicContact CD1-CD2 4.11Å
55E94.8Very high82.1Confident126 Ų12664.1 Ų64.159%0.58934%0.338SS*.EExtended strand (participates in β ladder)trans-94.7125.4174.5-168.8-177174.500110.2R59E55-R59 WeakPolarHBondContact CA-O 3.42Å
56F95.1Very high84.2Confident19 Ų1957.2 Ų57.28%0.08330%0.3CS..EExtended strand (participates in β ladder)trans-141.5123.1177.8178.9-110.4000110.2F54 G58 R59 Y61 E207 L210 F211 I220F54-F56 HydrophobicContact CD1-CB 4.21Å; F54-F56 HydrophobicContact CE1-CB 4.19Å; F56-G58 VanDerWaalsContact C-N 3.26Å; F56-G58 PolarHBondContact O-N 3.44Å; F56-R59 PolarHBondContact N-O 3.01Å; F56-R59 PolarHBondContact O-N 3.26Å; F56-Y61 HydrophobicContact CB-CD2 4.1Å; F56-Y61 HydrophobicContact CB-CE2 3.93Å; F56-Y61 HydrophobicContact CD1-CE2 4.28Å; F56-E207 HydrophobicContact CD2-CB 4.23Å; F56-E207 HydrophobicContact CD2-CG 4.14Å; F56-E207 HydrophobicContact CE2-CB 4.07Å; F56-E207 HydrophobicContact CE2-CG 4.45Å; F56-L210 HydrophobicContact CB-CD2 3.5Å; F56-L210 HydrophobicContact CD1-CB 4.33Å; F56-L210 HydrophobicContact CD1-CD2 3.64Å; F56-L210 HydrophobicContact CD1-CG 3.79Å; F56-L210 HydrophobicContact CE1-CB 4.47Å; F56-L210 HydrophobicContact CE1-CG 4.25Å; F56-L210 HydrophobicContact CG-CD2 3.69Å; F56-L210 HydrophobicContact CG-CG 4.27Å; F56-F211 HydrophobicContact CE1-CB 4.45Å; F56-F211 HydrophobicContact CZ-CB 3.86Å; F56-F211 HydrophobicContact CZ-CD2 4.33Å; F56-I220 HydrophobicContact CE1-CD1 3.88Å
57R92.8Very high86Confident155 Ų15550.5 Ų50.559%0.58526%0.264SS*.THydrogen-bonded Turntrans50.642.7179.9-62.7-176.1166.9-154.5-7.8113.4R59 F211 I220R57-R59 PolarHBondContact O-N 3.39Å; R57-F211 VanDerWaalsContact NH2-CE2 3.25Å; R57-I220 VanDerWaalsContact NH1-CG2 3.35Å
58G90.9Very high87Confident51 Ų5149.4 Ų49.453%0.52626%0.257SS..THydrogen-bonded Turntrans73.95.3178.300000115.3F56F56-G58 VanDerWaalsContact C-N 3.26Å; F56-G58 PolarHBondContact O-N 3.44Å
59R92.7Very high87.4Confident112 Ų11249.5 Ų49.542%0.42326%0.258SS..EExtended strand (participates in β ladder)trans-106.4142.2173.9-66.9179.2177.6-169.9-0.9109.8I7 E55 F56 R57 Y61I7-R59 HydrophobicContact CD1-CB 4.3Å; E55-R59 WeakPolarHBondContact CA-O 3.42Å; F56-R59 PolarHBondContact N-O 3.01Å; F56-R59 PolarHBondContact O-N 3.26Å; R57-R59 PolarHBondContact O-N 3.39Å; R59-Y61 HydrophobicContact CB-CD2 4.3Å; R59-Y61 HydrophobicContact CB-CE2 3.55Å; R59-Y61 WeakPolarHBondContact O-CD2 3.5Å
60S94.2Very high86.9Confident34 Ų3448.5 Ų48.524%0.23825%0.252CS..EExtended strand (participates in β ladder)trans-93.9126.4175.8-54.60000109.4Q6 I7Q6-S60 WeakPolarHBondContact CA-O 3.45Å; I7-S60 PolarHBondContact N-O 3.38Å
61Y96.1Very high85.5Confident4 Ų448 Ų482%0.01625%0.25CC..EExtended strand (participates in β ladder)trans-115.3148.2179.1-67.3-97.2000110.5I7 R9 E53 F54 F56 R59 L210 E214I7-Y61 HydrophobicContact CB-CD1 3.59Å; I7-Y61 HydrophobicContact CB-CE1 3.73Å; I7-Y61 HydrophobicContact CB-CG 4.29Å; I7-Y61 HydrophobicContact CD1-CE1 3.94Å; I7-Y61 HydrophobicContact CG1-CE1 4.44Å; I7-Y61 HydrophobicContact CG2-CD1 3.67Å; I7-Y61 HydrophobicContact CG2-CE1 3.55Å; I7-Y61 CarbonylContact O-C 3.59Å; I7-Y61 VanDerWaalsContact O-CA 3.24Å; I7-Y61 WeakPolarHBondContact O-CA 3.46Å; R9-Y61 HydrophobicContact CG-CD1 4.04Å; R9-Y61 HydrophobicContact CG-CE1 4.43Å; E53-Y61 WeakPolarHBondContact CA-O 3.46Å; F54-Y61 PolarHBondContact N-O 2.94Å; F54-Y61 WeakPolarHBondContact O-CB 3.38Å; F54-Y61 PolarHBondContact O-N 3.46Å; F56-Y61 HydrophobicContact CB-CD2 4.1Å; F56-Y61 HydrophobicContact CB-CE2 3.93Å; F56-Y61 HydrophobicContact CD1-CE2 4.28Å; R59-Y61 HydrophobicContact CB-CD2 4.3Å; R59-Y61 HydrophobicContact CB-CE2 3.55Å; R59-Y61 WeakPolarHBondContact O-CD2 3.5Å; Y61-L210 HydrophobicContact CD1-CD1 3.9Å; Y61-L210 HydrophobicContact CD1-CD2 4.09Å; Y61-L210 HydrophobicContact CD2-CD2 3.71Å; Y61-L210 HydrophobicContact CE1-CD1 3.83Å; Y61-L210 HydrophobicContact CE1-CD2 4.22Å; Y61-L210 HydrophobicContact CE1-CG 4.35Å; Y61-L210 HydrophobicContact CE2-CD2 3.84Å; Y61-L210 HydrophobicContact CG-CD1 4.47Å; Y61-L210 HydrophobicContact CG-CD2 3.85Å; Y61-E214 HydrophobicContact CE1-CG 4.21Å; Y61-E214 VanDerWaalsContact OH-CD 3.28Å; Y61-E214 WeakPolarHBondContact OH-CG 3.41Å; Y61-E214 PolarHBondContact OH-OE2 3.33Å
62Q94.4Very high83.6Confident37 Ų3748 Ų4817%0.17325%0.248CC..EExtended strand (participates in β ladder)trans-106.8105.7162.7-172.166.4-7.300107.6Q6 I7 E8 R9 E53Q6-Q62 HydrophobicContact CB-CB 4.06Å; I7-Q62 PolarHBondContact O-N 3.33Å; E8-Q62 WeakPolarHBondContact CA-O 3.21Å; E8-Q62 HydrophobicContact CG-CB 4.38Å; R9-Q62 PolarHBondContact N-O 2.88Å; E53-Q62 VanDerWaalsContact CG-OE1 3.25Å
63L94.3Very high81.6Confident0 Ų045.5 Ų45.50%024%0.238CC..EExtended strand (participates in β ladder)trans-92.3119.7179.9-57.2-172.4000109.5R9 I11 F28 S51 K52 F54 L210R9-L63 HydrophobicContact CB-CD2 3.76Å; R9-L63 HydrophobicContact CG-CD2 4.35Å; R9-L63 WeakPolarHBondContact O-CA 3.41Å; I11-L63 HydrophobicContact CD1-CB 4.41Å; I11-L63 HydrophobicContact CD1-CD1 4.1Å; I11-L63 HydrophobicContact CD1-CD2 4.17Å; I11-L63 HydrophobicContact CD1-CG 4.47Å; F28-L63 HydrophobicContact CE1-CD1 4.01Å; F28-L63 HydrophobicContact CZ-CD1 3.88Å; S51-L63 CarbonylContact C-O 3.46Å; S51-L63 VanDerWaalsContact CA-O 3.25Å; S51-L63 WeakPolarHBondContact CA-O 3.36Å; K52-L63 PolarHBondContact N-O 3.02Å; K52-L63 PolarHBondContact O-N 2.91Å; F54-L63 HydrophobicContact CB-CD1 3.8Å; F54-L63 HydrophobicContact CB-CG 3.99Å; F54-L63 HydrophobicContact CD1-CD1 4.09Å; F54-L63 HydrophobicContact CG-CD1 4.01Å; L63-L210 HydrophobicContact CD2-CD1 4.32Å
64H90.3Very high79.4Confident34 Ų3440.7 Ų40.716%0.15722%0.218CC..EExtended strand (participates in β ladder)trans-99.9111.3173.9-57.4-75.5000109.3R9 K10 I11 S51 F66R9-H64 PolarHBondContact O-N 2.95Å; K10-H64 WeakPolarHBondContact CA-O 3.22Å; K10-H64 HydrophobicContact CG-CB 4.46Å; I11-H64 PolarHBondContact N-O 3.31Å; S51-H64 PolarHBondContact OG-ND1 3.15Å; H64-F66 HydrophobicContact CB-CE2 3.81Å; H64-F66 HydrophobicContact CB-CZ 4.3Å; H64-F66 WeakPolarHBondContact O-CD2 3.32Å
65L88.7Confident77Confident0 Ų048.8 Ų48.80%025%0.248CC..EExtended strand (participates in β ladder)trans-94.6120.5-179.6-57.5-168.2000110.6I11 I13 T25 F28 T29 F50 F206I11-L65 HydrophobicContact CB-CD2 3.67Å; I11-L65 HydrophobicContact CD1-CD2 4.02Å; I11-L65 HydrophobicContact CG1-CD2 4.39Å; I11-L65 HydrophobicContact CG2-CD2 3.97Å; I11-L65 WeakPolarHBondContact O-CA 3.39Å; I13-L65 HydrophobicContact CD1-CB 4.18Å; I13-L65 HydrophobicContact CD1-CD1 3.93Å; I13-L65 HydrophobicContact CD1-CD2 4.44Å; I13-L65 HydrophobicContact CD1-CG 4.42Å; T25-L65 HydrophobicContact CG2-CB 4.07Å; T25-L65 HydrophobicContact CG2-CD1 3.99Å; F28-L65 HydrophobicContact CD1-CD1 3.64Å; F28-L65 HydrophobicContact CE1-CD1 4.31Å; T29-L65 HydrophobicContact CG2-CD1 3.87Å; T29-L65 HydrophobicContact CG2-CG 4.44Å; F50-L65 HydrophobicContact CB-CB 4.4Å; F50-L65 PolarHBondContact N-O 3.05Å; F50-L65 PolarHBondContact O-N 3.34Å; L65-F206 HydrophobicContact CD1-CE1 3.93Å; L65-F206 HydrophobicContact CD1-CZ 3.75Å; L65-F206 HydrophobicContact CD2-CD1 4.33Å; L65-F206 HydrophobicContact CD2-CE1 3.59Å; L65-F206 HydrophobicContact CD2-CZ 4.28Å; L65-F206 HydrophobicContact CG-CE1 4.44Å
66F84.8Confident74.9Confident39 Ų3948 Ų4817%0.17124%0.243CC..EExtended strand (participates in β ladder)trans-100.396174.2-62.3-93.3000108.1K10 I11 I13 V47 A49 H64 T68K10-F66 HydrophobicContact CB-CD2 4.3Å; K10-F66 HydrophobicContact CB-CE2 3.69Å; K10-F66 HydrophobicContact CD-CE2 3.95Å; K10-F66 HydrophobicContact CD-CZ 4.09Å; K10-F66 HydrophobicContact CG-CE2 3.79Å; K10-F66 HydrophobicContact CG-CZ 4.33Å; I11-F66 PolarHBondContact O-N 3.38Å; I13-F66 PolarHBondContact N-O 3.36Å; V47-F66 HydrophobicContact CB-CD1 4.46Å; V47-F66 HydrophobicContact CG1-CD1 4.37Å; A49-F66 HydrophobicContact CB-CE1 4.09Å; A49-F66 HydrophobicContact CB-CZ 4.27Å; H64-F66 HydrophobicContact CB-CE2 3.81Å; H64-F66 HydrophobicContact CB-CZ 4.3Å; H64-F66 WeakPolarHBondContact O-CD2 3.32Å; F66-T68 PolarHBondContact O-N 3.04Å; F66-T68 VanDerWaalsContact O-N 3.13Å
67D76.7Confident72.8Confident5 Ų555.6 Ų55.63%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-73101.1169.5-174.723.4000108.3K21 S22 A69K21-D67 VanDerWaalsContact CB-OD1 3.23Å; K21-D67 WeakPolarHBondContact CB-OD1 3.44Å; S22-D67 WeakPolarHBondContact CA-OD2 3.44Å; S22-D67 WeakPolarHBondContact CB-OD2 3.49Å; S22-D67 PolarHBondContact OG-OD2 3.21Å; D67-A69 PolarHBondContact O-N 3.31Å
68T68Low71.1Confident15 Ų1550.7 Ų50.79%0.09226%0.262CS..PPolyproline II helixtrans-63.9125.517458.60000107.9I13 M14 K21 F66 G70I13-T68 PolarHBondContact O-N 3.04Å; I13-T68 PolarHBondContact O-OG1 3.2Å; M14-T68 HydrophobicContact CG-CG2 4.18Å; K21-T68 WeakPolarHBondContact CE-O 3.31Å; F66-T68 PolarHBondContact O-N 3.04Å; F66-T68 VanDerWaalsContact O-N 3.13Å; T68-G70 PolarHBondContact O-N 3.41Å
69A61.1Low69.5Low55 Ų5559 Ų5946%0.45528%0.277SS..PPolyproline II helixtrans-47.7119.4173.500000108D67 Q71D67-A69 PolarHBondContact O-N 3.31Å; A69-Q71 PolarHBondContact O-N 3.5Å
70G54.6Low68Low21 Ų2157.1 Ų57.122%0.21628%0.275CS..PPolyproline II helixtrans-58120.2-174.900000109.8T68 T72T68-G70 PolarHBondContact O-N 3.41Å; G70-T72 PolarHBondContact O-N 2.88Å
71Q55.3Low66.4Low31 Ų3158 Ų5815%0.14528%0.277CS..PPolyproline II helixtrans-73.4130.9-176.8-73.2167.392.400110.1Y16 A69 S93 L94Y16-Q71 WeakPolarHBondContact CD2-O 3.39Å; Y16-Q71 VanDerWaalsContact CE2-O 3.29Å; Y16-Q71 WeakPolarHBondContact CE2-O 3.4Å; A69-Q71 PolarHBondContact O-N 3.5Å; Q71-S93 VanDerWaalsContact CD-O 3.3Å; Q71-S93 PolarHBondContact OE1-O 3.4Å; Q71-L94 HydrophobicContact CB-CD2 4.36Å; Q71-L94 VanDerWaalsContact CD-CA 3.48Å; Q71-L94 VanDerWaalsContact NE2-CA 3.29Å; Q71-L94 PolarHBondContact NE2-O 2.63Å; Q71-L94 VanDerWaalsContact NE2-O 3.16Å; Q71-L94 VanDerWaalsContact OE1-CD2 3.28Å
72T48.5Very low64.9Low55 Ų5563.9 Ų63.934%0.33730%0.304SS..PPolyproline II helixtrans-91.7136.9178.2-520000106.6G70G70-T72 PolarHBondContact O-N 2.88Å
73L50.6Low63.4Low16 Ų1663.8 Ų63.88%0.08431%0.307CS..PPolyproline II helixtrans-47135.1159.7-84167.3000108.8Y16 R75 V84 F88 Y128 F131Y16-L73 HydrophobicContact CE2-CG 4.03Å; Y16-L73 WeakPolarHBondContact OH-CB 3.46Å; Y16-L73 WeakPolarHBondContact OH-CD1 3.44Å; Y16-L73 WeakPolarHBondContact OH-CG 3.24Å; Y16-L73 PolarHBondContact OH-N 2.92Å; L73-R75 PolarHBondContact O-N 2.92Å; L73-V84 HydrophobicContact CD2-CG1 3.75Å; L73-F88 HydrophobicContact CD2-CD2 4.38Å; L73-F88 HydrophobicContact CD2-CE2 3.19Å; L73-F88 HydrophobicContact CD2-CZ 3.34Å; L73-F88 HydrophobicContact CG-CE2 4.25Å; L73-F88 HydrophobicContact CG-CZ 3.94Å; L73-Y128 HydrophobicContact CD1-CD1 4.14Å; L73-Y128 HydrophobicContact CD1-CE1 4.11Å; L73-Y128 HydrophobicContact CD2-CE1 4.2Å; L73-F131 HydrophobicContact CD1-CD1 3.95Å; L73-F131 HydrophobicContact CD1-CE1 4.1Å; L73-F131 HydrophobicContact CD2-CD1 4.42Å; L73-F131 HydrophobicContact CD2-CE1 4.15Å; L73-F131 HydrophobicContact CG-CE1 4.38Å
74P48.5Very low61.9Low28 Ų2863.9 Ų63.918%0.18231%0.308CS..PPolyproline II helixtrans-55.6118.5174.722.4-30.3000107F76 F78 F87P74-F76 PolarHBondContact O-N 3.09Å; P74-F78 HydrophobicContact CB-CD2 4.32Å; P74-F78 HydrophobicContact CB-CE2 3.93Å; P74-F78 HydrophobicContact CG-CD2 3.6Å; P74-F78 HydrophobicContact CG-CE2 3.37Å; P74-F87 HydrophobicContact CB-CE1 4.17Å; P74-F87 HydrophobicContact CB-CE2 4.07Å; P74-F87 HydrophobicContact CB-CZ 3.67Å; P74-F87 HydrophobicContact CG-CD1 3.72Å; P74-F87 HydrophobicContact CG-CD2 4.16Å; P74-F87 HydrophobicContact CG-CE1 3.44Å; P74-F87 VanDerWaalsContact CG-CE1 3.44Å; P74-F87 HydrophobicContact CG-CE2 3.83Å; P74-F87 HydrophobicContact CG-CG 4.05Å; P74-F87 HydrophobicContact CG-CZ 3.4Å; P74-F87 VanDerWaalsContact CG-CZ 3.4Å
75R45.6Very low60.4Low187 Ų18765.7 Ų65.771%0.70631%0.314SS*.SBendtrans-73.6108.8171.6-71.6-174.5179.5-104.91.9105.3L73L73-R75 PolarHBondContact O-N 2.92Å
76F49.2Very low59.2Low111 Ų11168.9 Ų68.949%0.48733%0.33SS..SBendtrans68.5101.7175.2-44.3-84.8000111.8P74 F121P74-F76 PolarHBondContact O-N 3.09Å; F76-F121 HydrophobicContact CE1-CD1 4.11Å; F76-F121 AromaticContact CE1-CD2 3.69Å; F76-F121 HydrophobicContact CE1-CD2 3.69Å; F76-F121 AromaticContact CE1-CE1 3.86Å; F76-F121 HydrophobicContact CE1-CE1 3.86Å; F76-F121 AromaticContact CE1-CE2 3.47Å; F76-F121 HydrophobicContact CE1-CE2 3.47Å; F76-F121 VanDerWaalsContact CE1-CE2 3.47Å; F76-F121 HydrophobicContact CE1-CG 4.03Å; F76-F121 AromaticContact CE1-CZ 3.53Å; F76-F121 HydrophobicContact CE1-CZ 3.53Å; F76-F121 HydrophobicContact CE2-CE2 4.5Å; F76-F121 AromaticContact CZ-CD2 3.79Å; F76-F121 HydrophobicContact CZ-CD2 3.79Å; F76-F121 HydrophobicContact CZ-CE1 4.3Å; F76-F121 AromaticContact CZ-CE2 3.22Å; F76-F121 HydrophobicContact CZ-CE2 3.22Å; F76-F121 AromaticContact CZ-CZ 3.5Å; F76-F121 HydrophobicContact CZ-CZ 3.5Å; F76-F121 VanDerWaalsContact CZ-CZ 3.5Å
77E51.7Low58.1Low177 Ų17768.9 Ų68.983%0.82733%0.33SS*.  -162.40.2107.4-93.4167.4-159.700112.6R79E77-R79 PolarHBondContact O-N 3.14Å
78F56.3Low57.3Low53 Ų5369 Ų6923%0.23233%0.331CS..  trans-84.9117-173.7-62.9-69.2000112.6P74 V84 F87P74-F78 HydrophobicContact CB-CD2 4.32Å; P74-F78 HydrophobicContact CB-CE2 3.93Å; P74-F78 HydrophobicContact CG-CD2 3.6Å; P74-F78 HydrophobicContact CG-CE2 3.37Å; F78-V84 HydrophobicContact CB-CG2 3.63Å; F78-V84 HydrophobicContact CG-CG2 4.25Å; F78-F87 HydrophobicContact CE1-CB 4.34Å; F78-F87 HydrophobicContact CE1-CD2 4.43Å; F78-F87 HydrophobicContact CE2-CB 4.03Å; F78-F87 AromaticContact CE2-CD2 3.46Å; F78-F87 HydrophobicContact CE2-CD2 3.46Å; F78-F87 VanDerWaalsContact CE2-CD2 3.46Å; F78-F87 AromaticContact CE2-CE2 3.92Å; F78-F87 HydrophobicContact CE2-CE2 3.92Å; F78-F87 AromaticContact CE2-CG 3.79Å; F78-F87 HydrophobicContact CE2-CG 3.79Å; F78-F87 HydrophobicContact CZ-CB 3.84Å; F78-F87 AromaticContact CZ-CD2 3.31Å; F78-F87 HydrophobicContact CZ-CD2 3.31Å; F78-F87 HydrophobicContact CZ-CE2 4.03Å; F78-F87 AromaticContact CZ-CG 3.85Å; F78-F87 HydrophobicContact CZ-CG 3.85Å
79R58.5Low56.9Low224 Ų22475 Ų7585%0.84536%0.356SS*.SBendtrans-82.3-5.8179.5-67.8-177.968.4168.41.2114.5E77 I127E77-R79 PolarHBondContact O-N 3.14Å; R79-I127 WeakPolarHBondContact O-CD1 3.27Å
80N60.4Low56.8Low73 Ų7377.9 Ų77.939%0.3936%0.363SS..SBendtrans-152.1159.8178.567.556000112.6H82 S83 V84N80-H82 VanDerWaalsContact C-N 3.26Å; N80-H82 PolarHBondContact O-N 3.42Å; N80-H82 WeakPolarHBondContact OD1-CB 3.48Å; N80-H82 PolarHBondContact OD1-N 3.23Å; N80-S83 PolarHBondContact O-N 3.28Å; N80-S83 PolarHBondContact OD1-N 3.46Å; N80-S83 PolarHBondContact OD1-OG 3.46Å; N80-V84 PolarHBondContact O-N 2.91Å
81I60.5Low56.7Low52 Ų5280.1 Ų80.127%0.26737%0.368SS..Hα-helixtrans-60.2-38.8-177.5-67.8170.5000111S83 V84 W85 I127 N130I81-S83 VanDerWaalsContact C-N 3.34Å; I81-S83 PolarHBondContact O-N 3.15Å; I81-V84 WeakPolarHBondContact O-CB 3.38Å; I81-V84 PolarHBondContact O-N 3.27Å; I81-V84 VanDerWaalsContact O-N 3.16Å; I81-W85 PolarHBondContact O-N 2.9Å; I81-I127 HydrophobicContact CB-CG2 4.47Å; I81-I127 WeakPolarHBondContact CD1-O 3.29Å; I81-I127 HydrophobicContact CG1-CB 4.16Å; I81-I127 HydrophobicContact CG1-CG2 3.62Å; I81-I127 WeakPolarHBondContact CG1-O 3.45Å; I81-N130 HydrophobicContact CD1-CB 4.01Å
82H63.9Low56.3Low129 Ų12987.8 Ų87.860%0.59740%0.397SS*.Hα-helixtrans-61.3-43.2-177.9-171.777.5000111.4N80 V84 W85 L86N80-H82 VanDerWaalsContact C-N 3.26Å; N80-H82 PolarHBondContact O-N 3.42Å; N80-H82 WeakPolarHBondContact OD1-CB 3.48Å; N80-H82 PolarHBondContact OD1-N 3.23Å; H82-V84 PolarHBondContact O-N 2.97Å; H82-W85 PolarHBondContact O-N 3.42Å; H82-L86 WeakPolarHBondContact O-CB 3.45Å; H82-L86 WeakPolarHBondContact O-CG 2.99Å; H82-L86 PolarHBondContact O-N 2.86Å
83S64.5Low56.4Low34 Ų3488.1 Ų88.124%0.23840%0.401CS..Hα-helixtrans-69-32.3176.2-52.30000112.7N80 I81 F87N80-S83 PolarHBondContact O-N 3.28Å; N80-S83 PolarHBondContact OD1-N 3.46Å; N80-S83 PolarHBondContact OD1-OG 3.46Å; I81-S83 VanDerWaalsContact C-N 3.34Å; I81-S83 PolarHBondContact O-N 3.15Å; S83-F87 VanDerWaalsContact O-CB 3.22Å; S83-F87 WeakPolarHBondContact O-CB 3.47Å; S83-F87 PolarHBondContact O-N 2.95Å
84V62.9Low56.6Low2 Ų287.8 Ų87.81%0.01240%0.4CS..Hα-helixtrans-64.4-43.2171.21780000110.5L73 F78 N80 I81 H82 F87 F88 Y128 F131L73-V84 HydrophobicContact CD2-CG1 3.75Å; F78-V84 HydrophobicContact CB-CG2 3.63Å; F78-V84 HydrophobicContact CG-CG2 4.25Å; N80-V84 PolarHBondContact O-N 2.91Å; I81-V84 WeakPolarHBondContact O-CB 3.38Å; I81-V84 PolarHBondContact O-N 3.27Å; I81-V84 VanDerWaalsContact O-N 3.16Å; H82-V84 PolarHBondContact O-N 2.97Å; V84-F87 WeakPolarHBondContact O-CB 3.25Å; V84-F87 PolarHBondContact O-N 2.92Å; V84-F88 HydrophobicContact CG1-CD2 4.01Å; V84-F88 HydrophobicContact CG1-CE2 3.84Å; V84-F88 WeakPolarHBondContact O-CD2 3.49Å; V84-F88 PolarHBondContact O-N 3.01Å; V84-Y128 HydrophobicContact CG1-CE1 4.2Å; V84-Y128 HydrophobicContact CG2-CE1 3.96Å; V84-F131 HydrophobicContact CG1-CD2 4.45Å
85W57.5Low56.9Low73 Ų7387.7 Ų87.728%0.27740%0.396SS..Hα-helixtrans-66.7-42.5175.3-79.6107.8000113.2I81 H82 F87 F88 K89 F131 E135 V139I81-W85 PolarHBondContact O-N 2.9Å; H82-W85 PolarHBondContact O-N 3.42Å; W85-F87 VanDerWaalsContact C-N 3.28Å; W85-F87 PolarHBondContact O-N 2.81Å; W85-F88 PolarHBondContact O-N 3.13Å; W85-K89 WeakPolarHBondContact O-CG 3.43Å; W85-K89 PolarHBondContact O-N 3.33Å; W85-F131 HydrophobicContact CH2-CE2 4.47Å; W85-F131 HydrophobicContact CZ2-CD2 4.33Å; W85-F131 HydrophobicContact CZ2-CE2 4.27Å; W85-E135 HydrophobicContact CH2-CB 3.64Å; W85-E135 HydrophobicContact CH2-CG 4.13Å; W85-E135 HydrophobicContact CZ2-CB 4.45Å; W85-E135 HydrophobicContact CZ3-CB 4.45Å; W85-V139 HydrophobicContact CE3-CG2 4.36Å; W85-V139 HydrophobicContact CZ3-CG2 3.75Å
86L63.7Low57.4Low67 Ų6780.6 Ų80.635%0.35138%0.375SS..Hα-helixtrans-60.6-42.4173.7-74.1177.4000110.2H82 F88 K89 D90H82-L86 WeakPolarHBondContact O-CB 3.45Å; H82-L86 WeakPolarHBondContact O-CG 2.99Å; H82-L86 PolarHBondContact O-N 2.86Å; L86-F88 PolarHBondContact O-N 2.87Å; L86-K89 CarbonylContact O-C 3.57Å; L86-K89 PolarHBondContact O-N 2.94Å; L86-K89 VanDerWaalsContact O-N 3.09Å; L86-D90 VanDerWaalsContact O-CB 3.24Å; L86-D90 WeakPolarHBondContact O-CB 3.29Å; L86-D90 VanDerWaalsContact O-CG 3.31Å; L86-D90 PolarHBondContact O-N 3.22Å
87F61.6Low57.6Low38 Ų3884 Ų8417%0.16739%0.385CS..Hα-helixtrans-57.9-47.6172.8179.4-86.8000111.8P74 F78 S83 V84 W85 K89 D90 E91P74-F87 HydrophobicContact CB-CE1 4.17Å; P74-F87 HydrophobicContact CB-CE2 4.07Å; P74-F87 HydrophobicContact CB-CZ 3.67Å; P74-F87 HydrophobicContact CG-CD1 3.72Å; P74-F87 HydrophobicContact CG-CD2 4.16Å; P74-F87 HydrophobicContact CG-CE1 3.44Å; P74-F87 VanDerWaalsContact CG-CE1 3.44Å; P74-F87 HydrophobicContact CG-CE2 3.83Å; P74-F87 HydrophobicContact CG-CG 4.05Å; P74-F87 HydrophobicContact CG-CZ 3.4Å; P74-F87 VanDerWaalsContact CG-CZ 3.4Å; F78-F87 HydrophobicContact CE1-CB 4.34Å; F78-F87 HydrophobicContact CE1-CD2 4.43Å; F78-F87 HydrophobicContact CE2-CB 4.03Å; F78-F87 AromaticContact CE2-CD2 3.46Å; F78-F87 HydrophobicContact CE2-CD2 3.46Å; F78-F87 VanDerWaalsContact CE2-CD2 3.46Å; F78-F87 AromaticContact CE2-CE2 3.92Å; F78-F87 HydrophobicContact CE2-CE2 3.92Å; F78-F87 AromaticContact CE2-CG 3.79Å; F78-F87 HydrophobicContact CE2-CG 3.79Å; F78-F87 HydrophobicContact CZ-CB 3.84Å; F78-F87 AromaticContact CZ-CD2 3.31Å; F78-F87 HydrophobicContact CZ-CD2 3.31Å; F78-F87 HydrophobicContact CZ-CE2 4.03Å; F78-F87 AromaticContact CZ-CG 3.85Å; F78-F87 HydrophobicContact CZ-CG 3.85Å; S83-F87 VanDerWaalsContact O-CB 3.22Å; S83-F87 WeakPolarHBondContact O-CB 3.47Å; S83-F87 PolarHBondContact O-N 2.95Å; V84-F87 WeakPolarHBondContact O-CB 3.25Å; V84-F87 PolarHBondContact O-N 2.92Å; W85-F87 VanDerWaalsContact C-N 3.28Å; W85-F87 PolarHBondContact O-N 2.81Å; F87-K89 VanDerWaalsContact C-N 3.28Å; F87-K89 PolarHBondContact O-N 3.17Å; F87-D90 PolarHBondContact O-N 2.82Å; F87-E91 HydrophobicContact CD1-CG 3.99Å; F87-E91 HydrophobicContact CD2-CG 3.73Å; F87-E91 HydrophobicContact CE1-CG 3.73Å; F87-E91 WeakPolarHBondContact CE1-OE2 3.49Å; F87-E91 HydrophobicContact CE2-CG 3.55Å; F87-E91 WeakPolarHBondContact CE2-OE1 3.37Å; F87-E91 HydrophobicContact CG-CG 4.01Å; F87-E91 HydrophobicContact CZ-CG 3.59Å; F87-E91 WeakPolarHBondContact CZ-OE1 3.33Å; F87-E91 WeakPolarHBondContact CZ-OE2 3.3Å; F87-E91 VanDerWaalsContact O-CB 3.24Å; F87-E91 WeakPolarHBondContact O-CB 3.39Å; F87-E91 WeakPolarHBondContact O-CG 3.4Å; F87-E91 PolarHBondContact O-N 3.05Å
88F59.7Low57.8Low8 Ų879.8 Ų79.84%0.03537%0.374CS..Hα-helixtrans-60.1-37.4174.2-86-73000113.1L73 V84 W85 L86 L94 F131 V136 V139 K143L73-F88 HydrophobicContact CD2-CD2 4.38Å; L73-F88 HydrophobicContact CD2-CE2 3.19Å; L73-F88 HydrophobicContact CD2-CZ 3.34Å; L73-F88 HydrophobicContact CG-CE2 4.25Å; L73-F88 HydrophobicContact CG-CZ 3.94Å; V84-F88 HydrophobicContact CG1-CD2 4.01Å; V84-F88 HydrophobicContact CG1-CE2 3.84Å; V84-F88 WeakPolarHBondContact O-CD2 3.49Å; V84-F88 PolarHBondContact O-N 3.01Å; W85-F88 PolarHBondContact O-N 3.13Å; L86-F88 PolarHBondContact O-N 2.87Å; F88-L94 HydrophobicContact CD1-CD1 4.3Å; F88-L94 HydrophobicContact CD1-CD2 4.43Å; F88-L94 WeakPolarHBondContact O-CD1 2.96Å; F88-F131 AromaticContact CD2-CE2 3.77Å; F88-F131 HydrophobicContact CD2-CE2 3.77Å; F88-F131 AromaticContact CD2-CZ 3.72Å; F88-F131 HydrophobicContact CD2-CZ 3.72Å; F88-F131 HydrophobicContact CE1-CZ 4.23Å; F88-F131 HydrophobicContact CE2-CD2 4.4Å; F88-F131 AromaticContact CE2-CE1 3.65Å; F88-F131 HydrophobicContact CE2-CE1 3.65Å; F88-F131 AromaticContact CE2-CE2 3.41Å; F88-F131 HydrophobicContact CE2-CE2 3.41Å; F88-F131 VanDerWaalsContact CE2-CE2 3.41Å; F88-F131 AromaticContact CE2-CZ 2.98Å; F88-F131 HydrophobicContact CE2-CZ 2.98Å; F88-F131 AromaticContact CZ-CE1 3.71Å; F88-F131 HydrophobicContact CZ-CE1 3.71Å; F88-F131 HydrophobicContact CZ-CE2 4.18Å; F88-F131 AromaticContact CZ-CZ 3.3Å; F88-F131 HydrophobicContact CZ-CZ 3.3Å; F88-V136 HydrophobicContact CE1-CG1 4.46Å; F88-V136 HydrophobicContact CE1-CG2 4.2Å; F88-V136 HydrophobicContact CZ-CG2 4.23Å; F88-V139 HydrophobicContact CB-CG1 4.39Å; F88-K143 VanDerWaalsContact O-CE 3.26Å; F88-K143 WeakPolarHBondContact O-CE 3.39Å; F88-K143 PolarHBondContact O-NZ 3.03Å
89K61.2Low58Low142 Ų14281.3 Ų81.362%0.61738%0.379SS*.Hα-helixtrans-71.4-50.1178.1-75.7-168.2173.1-166.20111.9W85 L86 F87 K143W85-K89 WeakPolarHBondContact O-CG 3.43Å; W85-K89 PolarHBondContact O-N 3.33Å; L86-K89 CarbonylContact O-C 3.57Å; L86-K89 PolarHBondContact O-N 2.94Å; L86-K89 VanDerWaalsContact O-N 3.09Å; F87-K89 VanDerWaalsContact C-N 3.28Å; F87-K89 PolarHBondContact O-N 3.17Å; K89-K143 VanDerWaalsContact O-CE 3.25Å; K89-K143 WeakPolarHBondContact O-CE 3.44Å; K89-K143 PolarHBondContact O-NZ 2.83Å
90D58.2Low57.9Low114 Ų11472 Ų7261%0.6135%0.349SS*.Hα-helixtrans-83.6-22.6-169.8-65.1-21.2000113.3L86 F87 Y92L86-D90 VanDerWaalsContact O-CB 3.24Å; L86-D90 WeakPolarHBondContact O-CB 3.29Å; L86-D90 VanDerWaalsContact O-CG 3.31Å; L86-D90 PolarHBondContact O-N 3.22Å; F87-D90 PolarHBondContact O-N 2.82Å; D90-Y92 PolarHBondContact O-N 3.26Å; D90-Y92 VanDerWaalsContact O-N 3.07Å
91E52.7Low58.2Low69 Ų6973.8 Ų73.832%0.32236%0.362SS..  trans-66119.1-179.5-86.9-146.5144.400112.5F87 S93 L94 K143F87-E91 HydrophobicContact CD1-CG 3.99Å; F87-E91 HydrophobicContact CD2-CG 3.73Å; F87-E91 HydrophobicContact CE1-CG 3.73Å; F87-E91 WeakPolarHBondContact CE1-OE2 3.49Å; F87-E91 HydrophobicContact CE2-CG 3.55Å; F87-E91 WeakPolarHBondContact CE2-OE1 3.37Å; F87-E91 HydrophobicContact CG-CG 4.01Å; F87-E91 HydrophobicContact CZ-CG 3.59Å; F87-E91 WeakPolarHBondContact CZ-OE1 3.33Å; F87-E91 WeakPolarHBondContact CZ-OE2 3.3Å; F87-E91 VanDerWaalsContact O-CB 3.24Å; F87-E91 WeakPolarHBondContact O-CB 3.39Å; F87-E91 WeakPolarHBondContact O-CG 3.4Å; F87-E91 PolarHBondContact O-N 3.05Å; E91-S93 PolarHBondContact O-N 3.39Å; E91-S93 VanDerWaalsContact O-N 3.12Å; E91-L94 PolarHBondContact O-N 3.14Å; E91-K143 PolarHBondContact O-NZ 2.86Å
92Y45.7Very low59.2Low191 Ų19173.3 Ų73.375%0.74937%0.37SS*.THydrogen-bonded Turntrans-56-10165.6-91.7-104.9000114.4D90D90-Y92 PolarHBondContact O-N 3.26Å; D90-Y92 VanDerWaalsContact O-N 3.07Å
93S51.2Low60.4Low62 Ų6268.2 Ų68.243%0.43435%0.347SS..THydrogen-bonded Turntrans-89.5-17.5-175.4-156.80000113.9Q71 E91 F95 P96Q71-S93 VanDerWaalsContact CD-O 3.3Å; Q71-S93 PolarHBondContact OE1-O 3.4Å; E91-S93 PolarHBondContact O-N 3.39Å; E91-S93 VanDerWaalsContact O-N 3.12Å; S93-F95 PolarHBondContact O-N 2.9Å; S93-P96 WeakPolarHBondContact O-CD 3.21Å
94L54.2Low61.7Low9 Ų968.7 Ų68.75%0.04735%0.346CS..SBendtrans-55.5-33.4-176.7-84-170.1000113Q71 F88 E91 V139 I140 K143Q71-L94 HydrophobicContact CB-CD2 4.36Å; Q71-L94 VanDerWaalsContact CD-CA 3.48Å; Q71-L94 VanDerWaalsContact NE2-CA 3.29Å; Q71-L94 PolarHBondContact NE2-O 2.63Å; Q71-L94 VanDerWaalsContact NE2-O 3.16Å; Q71-L94 VanDerWaalsContact OE1-CD2 3.28Å; F88-L94 HydrophobicContact CD1-CD1 4.3Å; F88-L94 HydrophobicContact CD1-CD2 4.43Å; F88-L94 WeakPolarHBondContact O-CD1 2.96Å; E91-L94 PolarHBondContact O-N 3.14Å; L94-V139 HydrophobicContact CD1-CG1 3.62Å; L94-I140 HydrophobicContact CD2-CG1 4.48Å; L94-K143 HydrophobicContact CB-CD 3.62Å; L94-K143 HydrophobicContact CD1-CD 3.68Å; L94-K143 HydrophobicContact CG-CD 4.27Å
95F55.3Low63.2Low26 Ų2668.6 Ų68.611%0.11435%0.345CS..SBendtrans-158.987.8-179.3-163.9-134.8000109.1M14 S93 R97 S100 Y106M14-F95 HydrophobicContact CE-CD2 3.56Å; M14-F95 HydrophobicContact CE-CE1 4.48Å; M14-F95 HydrophobicContact CE-CE2 3.06Å; M14-F95 HydrophobicContact CE-CZ 3.59Å; M14-F95 HydrophobicContact SD-CD2 4.1Å; M14-F95 HydrophobicContact SD-CE2 4.18Å; S93-F95 PolarHBondContact O-N 2.9Å; F95-R97 PolarHBondContact O-N 2.76Å; F95-S100 VanDerWaalsContact CZ-CA 3.44Å; F95-Y106 HydrophobicContact CE1-CE1 4.17Å; F95-Y106 HydrophobicContact CE2-CE1 4.5Å; F95-Y106 AromaticContact CZ-CE1 3.7Å; F95-Y106 HydrophobicContact CZ-CE1 3.7Å
96P56.2Low64.9Low39 Ų3965.4 Ų65.425%0.25333%0.333SS..  trans-50.7130.9173.7-29.336.3000109.6S93 S98 Y99S93-P96 WeakPolarHBondContact O-CD 3.21Å; P96-S98 PolarHBondContact O-N 2.64Å; P96-Y99 HydrophobicContact CB-CD2 3.62Å; P96-Y99 HydrophobicContact CB-CE2 3.73Å; P96-Y99 HydrophobicContact CB-CG 4.29Å; P96-Y99 HydrophobicContact CG-CD2 3.57Å; P96-Y99 HydrophobicContact CG-CE2 3.46Å; P96-Y99 VanDerWaalsContact CG-CE2 3.46Å; P96-Y99 PolarHBondContact O-N 3.38Å
97R54.7Low66.3Low183 Ų18362.2 Ų62.269%0.69132%0.317SS*.Hα-helixtrans-55.5-29-179.1-61.1-172.9-151.7167.55.9112.1F95 Y99 S100 V101F95-R97 PolarHBondContact O-N 2.76Å; R97-Y99 PolarHBondContact O-N 3.47Å; R97-S100 PolarHBondContact O-N 2.78Å; R97-S100 PolarHBondContact O-OG 3.42Å; R97-V101 WeakPolarHBondContact O-CG2 3.11Å
98S55.9Low67.9Low88 Ų8860.4 Ų60.462%0.61531%0.309SS*.Hα-helixtrans-56.7-30.2173.6490000113.2P96P96-S98 PolarHBondContact O-N 2.64Å
99Y58.5Low69.5Low84 Ų8460 Ų6033%0.32931%0.307SS..Hα-helixtrans-93.1-11.3-179.8-52.6-35.4000113.8V47 P96 R97 V103V47-Y99 HydrophobicContact CB-CE1 4.48Å; V47-Y99 HydrophobicContact CG2-CD1 3.91Å; V47-Y99 HydrophobicContact CG2-CE1 3.13Å; V47-Y99 HydrophobicContact CG2-CE2 4.25Å; V47-Y99 WeakPolarHBondContact CG2-OH 3.25Å; P96-Y99 HydrophobicContact CB-CD2 3.62Å; P96-Y99 HydrophobicContact CB-CE2 3.73Å; P96-Y99 HydrophobicContact CB-CG 4.29Å; P96-Y99 HydrophobicContact CG-CD2 3.57Å; P96-Y99 HydrophobicContact CG-CE2 3.46Å; P96-Y99 VanDerWaalsContact CG-CE2 3.46Å; P96-Y99 PolarHBondContact O-N 3.38Å; R97-Y99 PolarHBondContact O-N 3.47Å; Y99-V103 WeakPolarHBondContact O-CG2 3.4Å
100S57.1Low71Confident30 Ų3053.5 Ų53.521%0.2128%0.278CS..Hα-helixtrans-84.1-24.3176.270.80000113F95 R97 G102 V103F95-S100 VanDerWaalsContact CZ-CA 3.44Å; R97-S100 PolarHBondContact O-N 2.78Å; R97-S100 PolarHBondContact O-OG 3.42Å; S100-G102 PolarHBondContact O-N 3.49Å; S100-V103 PolarHBondContact O-N 3.25Å
101V67.2Low72.6Confident110 Ų11048.1 Ų48.167%0.66725%0.25SC*.THydrogen-bonded Turntrans-65111.7-175.9-178.60000110.6R97R97-V101 WeakPolarHBondContact O-CG2 3.11Å
102G81.7Confident74.5Confident42 Ų4244.9 Ų44.943%0.43324%0.235SC..THydrogen-bonded Turntrans74.721174.600000114.6K10 S100 H104K10-G102 WeakPolarHBondContact CB-O 3.48Å; S100-G102 PolarHBondContact O-N 3.49Å; G102-H104 PolarHBondContact O-CE1 3.22Å; G102-H104 PolarHBondContact O-ND1 3.06Å
103V88.5Confident76.6Confident21 Ų2137.1 Ų37.113%0.12721%0.206CC..  trans-68.4130.2166.4176.30000108.9A12 Y99 S100 G105 Y106A12-V103 HydrophobicContact CB-CG1 3.86Å; A12-V103 HydrophobicContact CB-CG2 4.12Å; Y99-V103 WeakPolarHBondContact O-CG2 3.4Å; S100-V103 PolarHBondContact O-N 3.25Å; V103-G105 WeakPolarHBondContact CG1-O 3.47Å; V103-Y106 HydrophobicContact CB-CE1 4.28Å; V103-Y106 HydrophobicContact CB-CE2 4.42Å; V103-Y106 HydrophobicContact CG1-CD1 4.12Å; V103-Y106 HydrophobicContact CG1-CD2 4.17Å; V103-Y106 HydrophobicContact CG1-CE1 3.73Å; V103-Y106 HydrophobicContact CG1-CE2 3.77Å; V103-Y106 HydrophobicContact CG1-CG 4.32Å
104H92.1Very high78.1Confident44 Ų4435 Ų3520%0.20419%0.192CC..  trans-97.3-29.8-178.2-59.175.6000111.5K10 G102 P158 V213 H217K10-H104 PolarHBondContact N-ND1 3.3Å; K10-H104 PolarHBondContact O-N 2.98Å; G102-H104 PolarHBondContact O-CE1 3.22Å; G102-H104 PolarHBondContact O-ND1 3.06Å; H104-P158 WeakPolarHBondContact O-CG 3.3Å; H104-V213 HydrophobicContact CB-CG1 3.9Å; H104-V213 WeakPolarHBondContact O-CG2 3.41Å; H104-H217 AromaticContact CD2-CE1 3.8Å; H104-H217 AromaticContact CD2-NE2 3.49Å; H104-H217 PolarHBondContact CD2-NE2 3.47Å
105G93.7Very high79.2Confident0 Ų038.1 Ų38.10%020%0.203CC..EExtended strand (participates in β ladder)trans-152.8156.6-179.900000113.6K10 I11 A12 V103 P158K10-G105 PolarHBondContact O-N 3Å; I11-G105 WeakPolarHBondContact CA-O 3.44Å; A12-G105 PolarHBondContact N-O 3.38Å; V103-G105 WeakPolarHBondContact CG1-O 3.47Å; G105-P158 WeakPolarHBondContact CA-O 3.44Å
106Y93.1Very high79.9Confident7 Ų743.1 Ų43.13%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-127.7128.6-169.6-60.7-99.3000110.8A12 M14 F95 V103 I144 V157 P158 I159 I160A12-Y106 HydrophobicContact CB-CD1 4.37Å; M14-Y106 HydrophobicContact CE-CD1 3.33Å; M14-Y106 HydrophobicContact CE-CE1 3.63Å; M14-Y106 HydrophobicContact SD-CD1 4.36Å; F95-Y106 HydrophobicContact CE1-CE1 4.17Å; F95-Y106 HydrophobicContact CE2-CE1 4.5Å; F95-Y106 AromaticContact CZ-CE1 3.7Å; F95-Y106 HydrophobicContact CZ-CE1 3.7Å; V103-Y106 HydrophobicContact CB-CE1 4.28Å; V103-Y106 HydrophobicContact CB-CE2 4.42Å; V103-Y106 HydrophobicContact CG1-CD1 4.12Å; V103-Y106 HydrophobicContact CG1-CD2 4.17Å; V103-Y106 HydrophobicContact CG1-CE1 3.73Å; V103-Y106 HydrophobicContact CG1-CE2 3.77Å; V103-Y106 HydrophobicContact CG1-CG 4.32Å; Y106-I144 HydrophobicContact CD1-CB 4.5Å; Y106-I144 HydrophobicContact CD1-CD1 3.48Å; Y106-I144 VanDerWaalsContact CD1-CD1 3.48Å; Y106-I144 HydrophobicContact CD1-CG1 3.73Å; Y106-I144 HydrophobicContact CD1-CG2 3.92Å; Y106-I144 HydrophobicContact CD2-CG2 4.12Å; Y106-I144 HydrophobicContact CE1-CB 4.43Å; Y106-I144 HydrophobicContact CE1-CD1 4.15Å; Y106-I144 HydrophobicContact CE1-CG1 3.85Å; Y106-I144 HydrophobicContact CE1-CG2 3.76Å; Y106-I144 HydrophobicContact CE2-CG2 3.98Å; Y106-I144 HydrophobicContact CG-CD1 3.96Å; Y106-I144 HydrophobicContact CG-CG1 4.49Å; Y106-I144 HydrophobicContact CG-CG2 4.12Å; Y106-V157 HydrophobicContact CD2-CG1 3.95Å; Y106-V157 HydrophobicContact CE2-CG1 3.92Å; Y106-P158 PolarHBondContact N-O 2.95Å; Y106-I159 HydrophobicContact CD2-CG1 4.4Å; Y106-I159 WeakPolarHBondContact O-CA 3.3Å; Y106-I160 PolarHBondContact O-N 3.47Å
107V94.7Very high80.2Confident0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-107113.4172-175.80000108.4I11 A12 I13 M14 V109 I160 V162 L205 L209I11-V107 HydrophobicContact CG2-CG2 3.88Å; A12-V107 PolarHBondContact O-N 3.04Å; I13-V107 HydrophobicContact CG1-CB 4.22Å; I13-V107 HydrophobicContact CG1-CG2 4.36Å; I13-V107 HydrophobicContact CG2-CB 4.4Å; I13-V107 HydrophobicContact CG2-CG1 4.49Å; M14-V107 PolarHBondContact N-O 3.44Å; V107-V109 HydrophobicContact CG1-CG2 3.72Å; V107-I160 HydrophobicContact CB-CG2 4.3Å; V107-I160 HydrophobicContact CG1-CG2 4.25Å; V107-I160 HydrophobicContact CG2-CG2 3.94Å; V107-V162 HydrophobicContact CG1-CB 4.46Å; V107-V162 HydrophobicContact CG1-CG2 3.65Å; V107-L205 HydrophobicContact CG1-CD1 4.26Å; V107-L205 HydrophobicContact CG1-CD2 4.26Å; V107-L209 HydrophobicContact CG2-CD2 3.64Å
108L93.7Very high80.4Confident0 Ų042 Ų420%022%0.219CC..EExtended strand (participates in β ladder)trans-97.2110.4175.3-62.8-177.6000109.5M14 V137 I140 Y141 I144 I159 I160 L161 V162 W187M14-L108 HydrophobicContact CB-CD2 4.03Å; L108-V137 HydrophobicContact CB-CB 4.42Å; L108-V137 HydrophobicContact CB-CG1 4.34Å; L108-I140 HydrophobicContact CD2-CB 4.23Å; L108-I140 HydrophobicContact CD2-CG2 3.51Å; L108-Y141 HydrophobicContact CD1-CD2 4.27Å; L108-I144 HydrophobicContact CD2-CD1 3.77Å; L108-I159 HydrophobicContact CD1-CG2 3.8Å; L108-I159 HydrophobicContact CG-CG2 4.07Å; L108-I160 PolarHBondContact N-O 3.21Å; L108-L161 HydrophobicContact CB-CD1 4.05Å; L108-L161 CarbonylContact O-C 3.58Å; L108-L161 WeakPolarHBondContact O-CA 3.32Å; L108-V162 PolarHBondContact O-N 2.94Å; L108-W187 HydrophobicContact CD1-CE3 4.46Å; L108-W187 HydrophobicContact CD1-CH2 4.46Å; L108-W187 HydrophobicContact CD1-CZ3 3.83Å
109V93Very high80.5Confident0 Ų039.5 Ų39.50%020%0.2CC..EExtended strand (participates in β ladder)trans-105.1130.1-174.3-168.90000110.7I13 M14 G15 V19 K21 I24 V107 V137 V162 N164I13-V109 HydrophobicContact CG2-CG2 3.88Å; M14-V109 PolarHBondContact O-N 3.12Å; G15-V109 WeakPolarHBondContact CA-O 3.4Å; V19-V109 HydrophobicContact CB-CG1 4.23Å; V19-V109 HydrophobicContact CG2-CB 3.88Å; V19-V109 HydrophobicContact CG2-CG1 3.74Å; K21-V109 HydrophobicContact CG-CB 4.12Å; K21-V109 HydrophobicContact CG-CG2 4.19Å; I24-V109 HydrophobicContact CD1-CG1 3.83Å; I24-V109 HydrophobicContact CD1-CG2 3.97Å; V107-V109 HydrophobicContact CG1-CG2 3.72Å; V109-V137 WeakPolarHBondContact O-CG1 3.36Å; V109-V162 WeakPolarHBondContact CA-O 3.18Å; V109-V162 HydrophobicContact CG2-CB 4.48Å; V109-N164 HydrophobicContact CG1-CB 3.83Å
110Y93.5Very high80.7Confident4 Ų440.6 Ų40.62%0.01622%0.22CC..EExtended strand (participates in β ladder)trans-124.4158.9162.772.5-83.3000109.3I112 F134 L161 V162 G163 N164 V175 F191Y110-I112 HydrophobicContact CE2-CG2 4.24Å; Y110-F134 AromaticContact CD1-CD2 3.96Å; Y110-F134 HydrophobicContact CD1-CD2 3.96Å; Y110-F134 AromaticContact CD1-CE2 3.73Å; Y110-F134 HydrophobicContact CD1-CE2 3.73Å; Y110-F134 AromaticContact CD2-CD2 3.7Å; Y110-F134 HydrophobicContact CD2-CD2 3.7Å; Y110-F134 HydrophobicContact CD2-CE2 4.08Å; Y110-F134 HydrophobicContact CE1-CD2 4.27Å; Y110-F134 AromaticContact CE1-CE2 3.69Å; Y110-F134 HydrophobicContact CE1-CE2 3.69Å; Y110-F134 HydrophobicContact CE2-CD2 4.06Å; Y110-F134 HydrophobicContact CE2-CE2 4.06Å; Y110-F134 AromaticContact CG-CD2 3.66Å; Y110-F134 HydrophobicContact CG-CD2 3.66Å; Y110-F134 AromaticContact CG-CE2 3.93Å; Y110-F134 HydrophobicContact CG-CE2 3.93Å; Y110-F134 AromaticContact CZ-CE2 3.86Å; Y110-L161 HydrophobicContact CD1-CD1 3.75Å; Y110-L161 HydrophobicContact CD1-CG 4.29Å; Y110-L161 HydrophobicContact CE1-CD1 4Å; Y110-L161 HydrophobicContact CE1-CD2 4.44Å; Y110-L161 HydrophobicContact CE1-CG 4.02Å; Y110-V162 WeakPolarHBondContact CD1-O 3.42Å; Y110-V162 PolarHBondContact N-O 2.9Å; Y110-G163 VanDerWaalsContact CE1-CA 3.41Å; Y110-N164 PolarHBondContact O-N 3.16Å; Y110-V175 HydrophobicContact CD2-CB 4.35Å; Y110-V175 HydrophobicContact CD2-CG1 4.28Å; Y110-V175 HydrophobicContact CD2-CG2 4.43Å; Y110-V175 HydrophobicContact CE2-CB 3.83Å; Y110-V175 HydrophobicContact CE2-CG1 3.56Å; Y110-V175 HydrophobicContact CE2-CG2 4.4Å; Y110-F191 HydrophobicContact CE1-CE2 4.26Å; Y110-F191 WeakPolarHBondContact OH-CE2 3.29Å
111A92.1Very high81.1Confident1 Ų144.1 Ų44.11%0.00823%0.232CC..EExtended strand (participates in β ladder)trans-95.6136.5171.200000109.8V19 N113 S114 N164 K165V19-A111 HydrophobicContact CB-CB 4.31Å; V19-A111 HydrophobicContact CG1-CB 4.45Å; A111-N113 WeakPolarHBondContact CB-OD1 3.5Å; A111-N113 PolarHBondContact O-N 3.25Å; A111-N113 VanDerWaalsContact O-N 3.14Å; A111-S114 PolarHBondContact O-N 3.28Å; A111-N164 WeakPolarHBondContact CA-O 3.33Å; A111-K165 HydrophobicContact CB-CD 3.92Å; A111-K165 HydrophobicContact CB-CG 4.2Å
112I93Very high80.8Confident1 Ų143.8 Ų43.81%0.00523%0.231CC..THydrogen-bonded Turntrans-63-22.7-178.263.4162.3000113.2Y110 N164 K165 L166 R173 E174 V175Y110-I112 HydrophobicContact CE2-CG2 4.24Å; I112-N164 PolarHBondContact N-O 3.1Å; I112-K165 WeakPolarHBondContact CD1-O 3.42Å; I112-K165 WeakPolarHBondContact CG1-O 3.29Å; I112-L166 HydrophobicContact CD1-CD1 4.26Å; I112-R173 HydrophobicContact CB-CG 4.44Å; I112-E174 PolarHBondContact O-N 2.88Å; I112-V175 PolarHBondContact O-N 3.07Å
113N89.3Confident79.7Confident29 Ų2949.1 Ų49.116%0.15525%0.249CC..THydrogen-bonded Turntrans-97.112.8178.577-34.1000113.5A111 L168 E172A111-N113 WeakPolarHBondContact CB-OD1 3.5Å; A111-N113 PolarHBondContact O-N 3.25Å; A111-N113 VanDerWaalsContact O-N 3.14Å; N113-L168 HydrophobicContact CB-CD1 3.74Å; N113-L168 WeakPolarHBondContact ND2-CD1 2.84Å; N113-E172 VanDerWaalsContact CA-O 3.26Å; N113-E172 WeakPolarHBondContact CA-O 3.39Å; N113-E172 HydrophobicContact CB-CB 4.28Å; N113-E172 WeakPolarHBondContact CB-O 3.21Å
114S82.2Confident78.3Confident18 Ų1849.5 Ų49.513%0.12625%0.251CS..  trans-127.673.4-175.6-62.40000110.6A111 L133A111-S114 PolarHBondContact O-N 3.28Å; S114-L133 WeakPolarHBondContact O-CB 3.08Å
115R78.2Confident76.8Confident73 Ų7351.6 Ų51.628%0.27526%0.262SS..SBendtrans-86.9-51.4160.7-170.6-172.1-71-91.6-0.3109.4N132 L133 E174 V175 E179R115-N132 WeakPolarHBondContact CA-OD1 3.27Å; R115-N132 HydrophobicContact CG-CB 4.36Å; R115-N132 VanDerWaalsContact CG-CG 3.46Å; R115-N132 WeakPolarHBondContact CG-OD1 3.23Å; R115-N132 CarbonylContact O-C 3.49Å; R115-N132 WeakPolarHBondContact O-CA 3.47Å; R115-N132 PolarHBondContact O-OD1 3.18Å; R115-N132 VanDerWaalsContact O-OD1 3.07Å; R115-L133 PolarHBondContact O-N 3.13Å; R115-E174 VanDerWaalsContact CA-OE2 3.28Å; R115-E174 WeakPolarHBondContact CA-OE2 3.24Å; R115-E174 HydrophobicContact CB-CB 3.47Å; R115-E174 VanDerWaalsContact CB-CB 3.47Å; R115-E174 HydrophobicContact CB-CG 4.44Å; R115-E174 VanDerWaalsContact CB-OE2 3.26Å; R115-E174 WeakPolarHBondContact CB-OE2 3.24Å; R115-E174 PolarHBondContact N-OE2 3.01Å; R115-E174 PolarHBondContact NE-O 3.15Å; R115-E174 PolarHBondContact NH2-O 2.86Å; R115-V175 HydrophobicContact CB-CG2 4.05Å; R115-E179 IonicContact CZ-OE1 3.43Å; R115-E179 IonicContact CZ-OE2 3.51Å; R115-E179 IonicContact NH1-OE1 2.79Å; R115-E179 PolarHBondContact NH1-OE1 3.02Å; R115-E179 IonicContact NH1-OE2 3.64Å; R115-E179 VanDerWaalsContact NH2-CD 3.33Å; R115-E179 IonicContact NH2-OE1 3.29Å; R115-E179 PolarHBondContact NH2-OE1 3.05Å; R115-E179 IonicContact NH2-OE2 2.59Å; R115-E179 PolarHBondContact NH2-OE2 3.26Å
116K68.7Low75.3Confident131 Ų13156.2 Ų56.257%0.5729%0.294SS*.BIsolated β-bridgetrans-82.1144.6-172-69.1-180-178.5173.20112.9Y118 E174K116-Y118 PolarHBondContact O-N 2.88Å; K116-E174 PolarHBondContact N-OE2 3.22Å
117S64.1Low73.8Confident15 Ų1557.2 Ų57.211%0.10530%0.3CS..  trans-80.6114.5168.1-60.60000110.4V119 F131 L133S117-V119 PolarHBondContact O-N 3.05Å; S117-F131 PolarHBondContact N-O 2.93Å; S117-F131 WeakPolarHBondContact OG-CD1 3.39Å; S117-F131 PolarHBondContact OG-O 3.1Å; S117-L133 WeakPolarHBondContact OG-CD1 3.34Å
118Y57.2Low72.1Confident184 Ų18457.6 Ų57.672%0.72230%0.302SS*.  trans-75.6108.1169.6-62.9-79.9000109.3K116K116-Y118 PolarHBondContact O-N 2.88Å
119V58.9Low70.6Confident35 Ų3560.4 Ų60.421%0.21233%0.325CS..  trans-117.2119.6174.6-178.30000109.7S117 F121 L124 Y128S117-V119 PolarHBondContact O-N 3.05Å; V119-F121 HydrophobicContact CG1-CB 4.4Å; V119-F121 PolarHBondContact O-N 2.88Å; V119-L124 HydrophobicContact CG1-CB 3.49Å; V119-L124 VanDerWaalsContact CG1-CB 3.49Å; V119-L124 HydrophobicContact CG1-CD1 4Å; V119-L124 HydrophobicContact CG1-CG 4.37Å; V119-Y128 HydrophobicContact CB-CG 4.48Å; V119-Y128 HydrophobicContact CG1-CD2 4.33Å; V119-Y128 HydrophobicContact CG2-CD1 3.92Å; V119-Y128 HydrophobicContact CG2-CD2 4.07Å; V119-Y128 HydrophobicContact CG2-CG 3.54Å
120S62.3Low69Low108 Ų10866.1 Ų66.176%0.75536%0.355SS*.SBendtrans-73.9-4.9-175.2-49.60000114.5
121F65.1Low67.8Low104 Ų10466.2 Ų66.246%0.45636%0.356SS..  trans-106115.6-175.2-80.7-97.4000110.7F76 V119 L123 L124 I125F76-F121 HydrophobicContact CE1-CD1 4.11Å; F76-F121 AromaticContact CE1-CD2 3.69Å; F76-F121 HydrophobicContact CE1-CD2 3.69Å; F76-F121 AromaticContact CE1-CE1 3.86Å; F76-F121 HydrophobicContact CE1-CE1 3.86Å; F76-F121 AromaticContact CE1-CE2 3.47Å; F76-F121 HydrophobicContact CE1-CE2 3.47Å; F76-F121 VanDerWaalsContact CE1-CE2 3.47Å; F76-F121 HydrophobicContact CE1-CG 4.03Å; F76-F121 AromaticContact CE1-CZ 3.53Å; F76-F121 HydrophobicContact CE1-CZ 3.53Å; F76-F121 HydrophobicContact CE2-CE2 4.5Å; F76-F121 AromaticContact CZ-CD2 3.79Å; F76-F121 HydrophobicContact CZ-CD2 3.79Å; F76-F121 HydrophobicContact CZ-CE1 4.3Å; F76-F121 AromaticContact CZ-CE2 3.22Å; F76-F121 HydrophobicContact CZ-CE2 3.22Å; F76-F121 AromaticContact CZ-CZ 3.5Å; F76-F121 HydrophobicContact CZ-CZ 3.5Å; F76-F121 VanDerWaalsContact CZ-CZ 3.5Å; V119-F121 HydrophobicContact CG1-CB 4.4Å; V119-F121 PolarHBondContact O-N 2.88Å; F121-L123 PolarHBondContact O-N 3.46Å; F121-L123 VanDerWaalsContact O-N 3.16Å; F121-L124 HydrophobicContact CB-CB 4.06Å; F121-L124 HydrophobicContact CB-CD1 3.97Å; F121-L124 HydrophobicContact CB-CG 3.89Å; F121-L124 CarbonylContact O-C 3.6Å; F121-L124 WeakPolarHBondContact O-CA 3.29Å; F121-L124 WeakPolarHBondContact O-CB 3.34Å; F121-L124 PolarHBondContact O-N 3.29Å; F121-I125 PolarHBondContact O-N 3.02Å; F121-I125 VanDerWaalsContact O-N 3.12Å
122P61.4Low66.9Low102 Ų10267.1 Ų67.166%0.66236%0.36SS*.Hα-helixtrans-52.2-39.8-178.6-29.335.4000114.3L124 I125P122-L124 PolarHBondContact O-N 3.29Å; P122-I125 HydrophobicContact CB-CD1 4.48Å; P122-I125 WeakPolarHBondContact O-CB 3.36Å; P122-I125 PolarHBondContact O-N 2.9Å; P122-I125 VanDerWaalsContact O-N 3.11Å
123L59.7Low66.3Low155 Ų15568 Ų6881%0.81237%0.365SS*.Hα-helixtrans-65.7-26.6178.8-170.264.2000112.9F121F121-L123 PolarHBondContact O-N 3.46Å; F121-L123 VanDerWaalsContact O-N 3.16Å
124L58.6Low66.2Low29 Ų2966.6 Ų66.615%0.15236%0.357CS..Hα-helixtrans-89.5-16.1176.7-61.1-172.6000111.9V119 F121 P122 S126 I127 Y128V119-L124 HydrophobicContact CG1-CB 3.49Å; V119-L124 VanDerWaalsContact CG1-CB 3.49Å; V119-L124 HydrophobicContact CG1-CD1 4Å; V119-L124 HydrophobicContact CG1-CG 4.37Å; F121-L124 HydrophobicContact CB-CB 4.06Å; F121-L124 HydrophobicContact CB-CD1 3.97Å; F121-L124 HydrophobicContact CB-CG 3.89Å; F121-L124 CarbonylContact O-C 3.6Å; F121-L124 WeakPolarHBondContact O-CA 3.29Å; F121-L124 WeakPolarHBondContact O-CB 3.34Å; F121-L124 PolarHBondContact O-N 3.29Å; P122-L124 PolarHBondContact O-N 3.29Å; L124-S126 PolarHBondContact O-N 3.31Å; L124-I127 HydrophobicContact CD2-CD1 4.29Å; L124-I127 WeakPolarHBondContact O-CB 3.41Å; L124-I127 PolarHBondContact O-N 2.83Å; L124-I127 VanDerWaalsContact O-N 3.08Å; L124-Y128 HydrophobicContact CB-CD2 3.7Å; L124-Y128 HydrophobicContact CB-CE2 3.85Å; L124-Y128 HydrophobicContact CD1-CE2 3.94Å; L124-Y128 HydrophobicContact CD2-CE2 4.06Å; L124-Y128 HydrophobicContact CG-CE2 4.15Å; L124-Y128 VanDerWaalsContact O-CD2 3.29Å; L124-Y128 WeakPolarHBondContact O-CD2 3.46Å; L124-Y128 PolarHBondContact O-N 3.23Å
125I59.5Low66.3Low87 Ų8768 Ų6845%0.44636%0.362SS..Hα-helixtrans-55.3-50.2-177.1-67.8177.1000111F121 P122 I127 Y128 A129F121-I125 PolarHBondContact O-N 3.02Å; F121-I125 VanDerWaalsContact O-N 3.12Å; P122-I125 HydrophobicContact CB-CD1 4.48Å; P122-I125 WeakPolarHBondContact O-CB 3.36Å; P122-I125 PolarHBondContact O-N 2.9Å; P122-I125 VanDerWaalsContact O-N 3.11Å; I125-I127 PolarHBondContact O-N 2.76Å; I125-Y128 PolarHBondContact O-N 3.01Å; I125-A129 WeakPolarHBondContact O-CA 3.33Å; I125-A129 WeakPolarHBondContact O-CB 3.41Å; I125-A129 PolarHBondContact O-N 3.42Å
126S62.6Low66.5Low97 Ų9764.7 Ų64.768%0.67835%0.35SS*.Hα-helixtrans-63.6-29.1-178.4-580000113.6L124L124-S126 PolarHBondContact O-N 3.31Å
127I61.7Low67.4Low28 Ų2858.5 Ų58.514%0.14432%0.323CS..Hα-helixtrans-74-57.7176.6-66.4165.1000108.5R79 I81 L124 I125 A129R79-I127 WeakPolarHBondContact O-CD1 3.27Å; I81-I127 HydrophobicContact CB-CG2 4.47Å; I81-I127 WeakPolarHBondContact CD1-O 3.29Å; I81-I127 HydrophobicContact CG1-CB 4.16Å; I81-I127 HydrophobicContact CG1-CG2 3.62Å; I81-I127 WeakPolarHBondContact CG1-O 3.45Å; L124-I127 HydrophobicContact CD2-CD1 4.29Å; L124-I127 WeakPolarHBondContact O-CB 3.41Å; L124-I127 PolarHBondContact O-N 2.83Å; L124-I127 VanDerWaalsContact O-N 3.08Å; I125-I127 PolarHBondContact O-N 2.76Å; I127-A129 PolarHBondContact O-N 3.42Å
128Y60.1Low68.6Low9 Ų960.5 Ų60.54%0.03533%0.33CS..Hα-helixtrans-83.5-12.4-172-68.8-97.7000114.5L73 V84 V119 L124 I125 N130 F131L73-Y128 HydrophobicContact CD1-CD1 4.14Å; L73-Y128 HydrophobicContact CD1-CE1 4.11Å; L73-Y128 HydrophobicContact CD2-CE1 4.2Å; V84-Y128 HydrophobicContact CG1-CE1 4.2Å; V84-Y128 HydrophobicContact CG2-CE1 3.96Å; V119-Y128 HydrophobicContact CB-CG 4.48Å; V119-Y128 HydrophobicContact CG1-CD2 4.33Å; V119-Y128 HydrophobicContact CG2-CD1 3.92Å; V119-Y128 HydrophobicContact CG2-CD2 4.07Å; V119-Y128 HydrophobicContact CG2-CG 3.54Å; L124-Y128 HydrophobicContact CB-CD2 3.7Å; L124-Y128 HydrophobicContact CB-CE2 3.85Å; L124-Y128 HydrophobicContact CD1-CE2 3.94Å; L124-Y128 HydrophobicContact CD2-CE2 4.06Å; L124-Y128 HydrophobicContact CG-CE2 4.15Å; L124-Y128 VanDerWaalsContact O-CD2 3.29Å; L124-Y128 WeakPolarHBondContact O-CD2 3.46Å; L124-Y128 PolarHBondContact O-N 3.23Å; I125-Y128 PolarHBondContact O-N 3.01Å; Y128-N130 PolarHBondContact O-N 3.43Å; Y128-N130 VanDerWaalsContact O-N 3.15Å; Y128-F131 HydrophobicContact CD1-CB 4.48Å; Y128-F131 WeakPolarHBondContact O-CA 3.41Å; Y128-F131 WeakPolarHBondContact O-CB 3.43Å; Y128-F131 PolarHBondContact O-N 2.74Å
129A62Low69.9Low59 Ų5952.4 Ų52.449%0.48830%0.3SS..THydrogen-bonded Turntrans-58.1-28175.800000112.3I125 I127I125-A129 WeakPolarHBondContact O-CA 3.33Å; I125-A129 WeakPolarHBondContact O-CB 3.41Å; I125-A129 PolarHBondContact O-N 3.42Å; I127-A129 PolarHBondContact O-N 3.42Å
130N58.7Low71.1Confident119 Ų11951 Ų5164%0.63629%0.291SS*.THydrogen-bonded Turntrans-88.9-9.4174.4-62.8-45.1000113.2I81 Y128 N132I81-N130 HydrophobicContact CD1-CB 4.01Å; Y128-N130 PolarHBondContact O-N 3.43Å; Y128-N130 VanDerWaalsContact O-N 3.15Å; N130-N132 PolarHBondContact O-N 3.01Å
131F68.4Low72.4Confident6 Ų647 Ų473%0.02626%0.26CS..  trans-78.4110.6177.4-166.4-106.1000109.3L73 V84 W85 F88 S117 Y128 L133 V136L73-F131 HydrophobicContact CD1-CD1 3.95Å; L73-F131 HydrophobicContact CD1-CE1 4.1Å; L73-F131 HydrophobicContact CD2-CD1 4.42Å; L73-F131 HydrophobicContact CD2-CE1 4.15Å; L73-F131 HydrophobicContact CG-CE1 4.38Å; V84-F131 HydrophobicContact CG1-CD2 4.45Å; W85-F131 HydrophobicContact CH2-CE2 4.47Å; W85-F131 HydrophobicContact CZ2-CD2 4.33Å; W85-F131 HydrophobicContact CZ2-CE2 4.27Å; F88-F131 AromaticContact CD2-CE2 3.77Å; F88-F131 HydrophobicContact CD2-CE2 3.77Å; F88-F131 AromaticContact CD2-CZ 3.72Å; F88-F131 HydrophobicContact CD2-CZ 3.72Å; F88-F131 HydrophobicContact CE1-CZ 4.23Å; F88-F131 HydrophobicContact CE2-CD2 4.4Å; F88-F131 AromaticContact CE2-CE1 3.65Å; F88-F131 HydrophobicContact CE2-CE1 3.65Å; F88-F131 AromaticContact CE2-CE2 3.41Å; F88-F131 HydrophobicContact CE2-CE2 3.41Å; F88-F131 VanDerWaalsContact CE2-CE2 3.41Å; F88-F131 AromaticContact CE2-CZ 2.98Å; F88-F131 HydrophobicContact CE2-CZ 2.98Å; F88-F131 AromaticContact CZ-CE1 3.71Å; F88-F131 HydrophobicContact CZ-CE1 3.71Å; F88-F131 HydrophobicContact CZ-CE2 4.18Å; F88-F131 AromaticContact CZ-CZ 3.3Å; F88-F131 HydrophobicContact CZ-CZ 3.3Å; S117-F131 PolarHBondContact N-O 2.93Å; S117-F131 WeakPolarHBondContact OG-CD1 3.39Å; S117-F131 PolarHBondContact OG-O 3.1Å; Y128-F131 HydrophobicContact CD1-CB 4.48Å; Y128-F131 WeakPolarHBondContact O-CA 3.41Å; Y128-F131 WeakPolarHBondContact O-CB 3.43Å; Y128-F131 PolarHBondContact O-N 2.74Å; F131-L133 HydrophobicContact CD1-CD1 4.27Å; F131-L133 HydrophobicContact CE1-CD1 4.4Å; F131-V136 HydrophobicContact CE1-CG2 3.82Å; F131-V136 HydrophobicContact CZ-CG2 3.66Å
132N74.2Confident73.4Confident20 Ų2046.3 Ų46.311%0.10726%0.261CS..BIsolated β-bridgetrans-97.3120.2180174.63.3000109.7R115 N130 F134 E135R115-N132 WeakPolarHBondContact CA-OD1 3.27Å; R115-N132 HydrophobicContact CG-CB 4.36Å; R115-N132 VanDerWaalsContact CG-CG 3.46Å; R115-N132 WeakPolarHBondContact CG-OD1 3.23Å; R115-N132 CarbonylContact O-C 3.49Å; R115-N132 WeakPolarHBondContact O-CA 3.47Å; R115-N132 PolarHBondContact O-OD1 3.18Å; R115-N132 VanDerWaalsContact O-OD1 3.07Å; N130-N132 PolarHBondContact O-N 3.01Å; N132-F134 PolarHBondContact O-N 3.26Å; N132-F134 WeakPolarHBondContact OD1-CA 3.48Å; N132-F134 WeakPolarHBondContact OD1-CB 3.47Å; N132-F134 PolarHBondContact OD1-N 3.35Å; N132-E135 HydrophobicContact CB-CG 3.81Å; N132-E135 VanDerWaalsContact O-CB 3.31Å; N132-E135 WeakPolarHBondContact O-CB 3.5Å; N132-E135 PolarHBondContact O-N 3.23Å
133L80Confident74.4Confident19 Ų1943.4 Ų43.410%0.09924%0.238CC..Hα-helixtrans-61.1-26.8178.8-96.364.5000112.3Y16 S114 R115 S117 F131 E135 V136Y16-L133 HydrophobicContact CD1-CD2 3.32Å; Y16-L133 HydrophobicContact CD1-CG 3.63Å; Y16-L133 HydrophobicContact CE1-CD1 4.37Å; Y16-L133 HydrophobicContact CE1-CD2 3.65Å; Y16-L133 HydrophobicContact CE1-CG 3.96Å; Y16-L133 HydrophobicContact CG-CD2 4.2Å; Y16-L133 HydrophobicContact CG-CG 4.08Å; S114-L133 WeakPolarHBondContact O-CB 3.08Å; R115-L133 PolarHBondContact O-N 3.13Å; S117-L133 WeakPolarHBondContact OG-CD1 3.34Å; F131-L133 HydrophobicContact CD1-CD1 4.27Å; F131-L133 HydrophobicContact CE1-CD1 4.4Å; L133-E135 PolarHBondContact O-N 2.57Å; L133-V136 VanDerWaalsContact O-CB 3.29Å; L133-V136 WeakPolarHBondContact O-CB 3.19Å; L133-V136 WeakPolarHBondContact O-CG2 3.39Å; L133-V136 PolarHBondContact O-N 2.97Å; L133-V136 VanDerWaalsContact O-N 3.17Å
134F86.2Confident75.7Confident0 Ų036.1 Ų36.10%020%0.199CC..Hα-helixtrans-66.1-21.7171.6-173.5-112.2000112.8Y110 N132 V136 V137 L161 V175 E179 T183Y110-F134 AromaticContact CD1-CD2 3.96Å; Y110-F134 HydrophobicContact CD1-CD2 3.96Å; Y110-F134 AromaticContact CD1-CE2 3.73Å; Y110-F134 HydrophobicContact CD1-CE2 3.73Å; Y110-F134 AromaticContact CD2-CD2 3.7Å; Y110-F134 HydrophobicContact CD2-CD2 3.7Å; Y110-F134 HydrophobicContact CD2-CE2 4.08Å; Y110-F134 HydrophobicContact CE1-CD2 4.27Å; Y110-F134 AromaticContact CE1-CE2 3.69Å; Y110-F134 HydrophobicContact CE1-CE2 3.69Å; Y110-F134 HydrophobicContact CE2-CD2 4.06Å; Y110-F134 HydrophobicContact CE2-CE2 4.06Å; Y110-F134 AromaticContact CG-CD2 3.66Å; Y110-F134 HydrophobicContact CG-CD2 3.66Å; Y110-F134 AromaticContact CG-CE2 3.93Å; Y110-F134 HydrophobicContact CG-CE2 3.93Å; Y110-F134 AromaticContact CZ-CE2 3.86Å; N132-F134 PolarHBondContact O-N 3.26Å; N132-F134 WeakPolarHBondContact OD1-CA 3.48Å; N132-F134 WeakPolarHBondContact OD1-CB 3.47Å; N132-F134 PolarHBondContact OD1-N 3.35Å; F134-V136 VanDerWaalsContact C-N 3.3Å; F134-V137 HydrophobicContact CD2-CG2 4.19Å; F134-V137 HydrophobicContact CE2-CG2 4.28Å; F134-V137 WeakPolarHBondContact O-CG2 3.13Å; F134-L161 HydrophobicContact CE2-CD2 4.47Å; F134-L161 HydrophobicContact CZ-CD2 4.47Å; F134-V175 HydrophobicContact CB-CG2 4.14Å; F134-V175 HydrophobicContact CD2-CG1 4.01Å; F134-V175 HydrophobicContact CD2-CG2 4.44Å; F134-V175 HydrophobicContact CE2-CG1 4.12Å; F134-V175 HydrophobicContact CG-CG1 4.29Å; F134-V175 HydrophobicContact CG-CG2 4.33Å; F134-V175 HydrophobicContact CZ-CG1 4.48Å; F134-E179 HydrophobicContact CE1-CG 3.93Å; F134-E179 HydrophobicContact CZ-CG 4.43Å; F134-T183 HydrophobicContact CE1-CG2 4.45Å; F134-T183 HydrophobicContact CZ-CG2 4.14Å
135E84.4Confident77Confident49 Ų4936 Ų3623%0.22920%0.199CC..Hα-helixtrans-75-22173.9-57.8-62.7136.300112.4W85 N132 L133 V137 K138 V139W85-E135 HydrophobicContact CH2-CB 3.64Å; W85-E135 HydrophobicContact CH2-CG 4.13Å; W85-E135 HydrophobicContact CZ2-CB 4.45Å; W85-E135 HydrophobicContact CZ3-CB 4.45Å; N132-E135 HydrophobicContact CB-CG 3.81Å; N132-E135 VanDerWaalsContact O-CB 3.31Å; N132-E135 WeakPolarHBondContact O-CB 3.5Å; N132-E135 PolarHBondContact O-N 3.23Å; L133-E135 PolarHBondContact O-N 2.57Å; E135-V137 VanDerWaalsContact C-N 3.28Å; E135-V137 PolarHBondContact O-N 2.99Å; E135-K138 WeakPolarHBondContact O-CA 3.29Å; E135-K138 WeakPolarHBondContact O-CB 3.29Å; E135-K138 PolarHBondContact O-N 3.24Å; E135-K138 WeakPolarHBondContact OE1-CE 3.41Å; E135-K138 IonicContact OE1-NZ 2.65Å; E135-K138 PolarHBondContact OE1-NZ 2.79Å; E135-K138 VanDerWaalsContact OE2-CD 3.24Å; E135-K138 WeakPolarHBondContact OE2-CD 3.43Å; E135-K138 WeakPolarHBondContact OE2-CE 3.47Å; E135-K138 IonicContact OE2-NZ 2.66Å; E135-K138 PolarHBondContact OE2-NZ 3.39Å; E135-V139 PolarHBondContact O-N 2.66Å; E135-V139 VanDerWaalsContact O-N 3.1Å
136V83.4Confident78.2Confident3 Ų338.1 Ų38.12%0.01821%0.211CC..Hα-helixtrans-59.2-41.2178177.20000110.8Y16 F88 F131 L133 F134 K138 V139 I140Y16-V136 HydrophobicContact CD2-CG1 4.28Å; Y16-V136 HydrophobicContact CD2-CG2 4.07Å; Y16-V136 HydrophobicContact CG-CG2 4.48Å; F88-V136 HydrophobicContact CE1-CG1 4.46Å; F88-V136 HydrophobicContact CE1-CG2 4.2Å; F88-V136 HydrophobicContact CZ-CG2 4.23Å; F131-V136 HydrophobicContact CE1-CG2 3.82Å; F131-V136 HydrophobicContact CZ-CG2 3.66Å; L133-V136 VanDerWaalsContact O-CB 3.29Å; L133-V136 WeakPolarHBondContact O-CB 3.19Å; L133-V136 WeakPolarHBondContact O-CG2 3.39Å; L133-V136 PolarHBondContact O-N 2.97Å; L133-V136 VanDerWaalsContact O-N 3.17Å; F134-V136 VanDerWaalsContact C-N 3.3Å; V136-K138 PolarHBondContact O-N 3.24Å; V136-V139 PolarHBondContact O-N 2.95Å; V136-I140 HydrophobicContact CG1-CD1 3.84Å; V136-I140 HydrophobicContact CG1-CG1 4.37Å; V136-I140 VanDerWaalsContact O-CG1 3.3Å; V136-I140 WeakPolarHBondContact O-CG1 3.43Å; V136-I140 PolarHBondContact O-N 2.71Å
137V88Confident79Confident1 Ų136.2 Ų36.21%0.00620%0.198CC..Hα-helixtrans-65.3-26.1177-68.20000112.4L108 V109 F134 E135 Y141 L161 W187L108-V137 HydrophobicContact CB-CB 4.42Å; L108-V137 HydrophobicContact CB-CG1 4.34Å; V109-V137 WeakPolarHBondContact O-CG1 3.36Å; F134-V137 HydrophobicContact CD2-CG2 4.19Å; F134-V137 HydrophobicContact CE2-CG2 4.28Å; F134-V137 WeakPolarHBondContact O-CG2 3.13Å; E135-V137 VanDerWaalsContact C-N 3.28Å; E135-V137 PolarHBondContact O-N 2.99Å; V137-Y141 VanDerWaalsContact O-CB 3.3Å; V137-Y141 WeakPolarHBondContact O-CB 3.47Å; V137-Y141 PolarHBondContact O-N 2.81Å; V137-L161 HydrophobicContact CB-CD1 4.28Å; V137-L161 HydrophobicContact CG1-CD1 4.47Å; V137-L161 HydrophobicContact CG2-CD1 4.03Å; V137-W187 HydrophobicContact CB-CH2 4.48Å; V137-W187 HydrophobicContact CG2-CH2 4.24Å
138K88.6Confident80Confident56 Ų5638 Ų3824%0.24321%0.209CC..Hα-helixtrans-74-41.3175.6-45.1-163.6-168.8152.70111.6E135 V136 I140 Y141 D142 W187E135-K138 WeakPolarHBondContact O-CA 3.29Å; E135-K138 WeakPolarHBondContact O-CB 3.29Å; E135-K138 PolarHBondContact O-N 3.24Å; E135-K138 WeakPolarHBondContact OE1-CE 3.41Å; E135-K138 IonicContact OE1-NZ 2.65Å; E135-K138 PolarHBondContact OE1-NZ 2.79Å; E135-K138 VanDerWaalsContact OE2-CD 3.24Å; E135-K138 WeakPolarHBondContact OE2-CD 3.43Å; E135-K138 WeakPolarHBondContact OE2-CE 3.47Å; E135-K138 IonicContact OE2-NZ 2.66Å; E135-K138 PolarHBondContact OE2-NZ 3.39Å; V136-K138 PolarHBondContact O-N 3.24Å; K138-I140 VanDerWaalsContact C-N 3.33Å; K138-I140 PolarHBondContact O-N 3.05Å; K138-Y141 WeakPolarHBondContact O-CB 3.45Å; K138-Y141 PolarHBondContact O-N 3.48Å; K138-D142 PolarHBondContact O-N 3.44Å; K138-W187 HydrophobicContact CB-CH2 4.38Å; K138-W187 HydrophobicContact CB-CZ2 3.87Å; K138-W187 HydrophobicContact CD-CZ2 4.33Å; K138-W187 HydrophobicContact CG-CH2 4.03Å; K138-W187 HydrophobicContact CG-CZ2 3.65Å
139V83.9Confident80.9Confident15 Ų1540 Ų409%0.09123%0.234CC..Hα-helixtrans-61.9-43.3172.9179.70000111W85 F88 L94 E135 V136 Y141 D142 K143W85-V139 HydrophobicContact CE3-CG2 4.36Å; W85-V139 HydrophobicContact CZ3-CG2 3.75Å; F88-V139 HydrophobicContact CB-CG1 4.39Å; L94-V139 HydrophobicContact CD1-CG1 3.62Å; E135-V139 PolarHBondContact O-N 2.66Å; E135-V139 VanDerWaalsContact O-N 3.1Å; V136-V139 PolarHBondContact O-N 2.95Å; V139-Y141 VanDerWaalsContact C-N 3.34Å; V139-D142 PolarHBondContact O-N 3.43Å; V139-K143 WeakPolarHBondContact O-CG 3.47Å; V139-K143 PolarHBondContact O-N 2.85Å; V139-K143 VanDerWaalsContact O-N 3.1Å
140I84.6Confident81.6Confident6 Ų640.2 Ų40.23%0.03122%0.222CC..Hα-helixtrans-63.5-43177-65.2167.4000110.5M14 L94 L108 V136 K138 D142 K143 I144M14-I140 HydrophobicContact CB-CD1 4.4Å; M14-I140 HydrophobicContact CB-CG2 3.96Å; M14-I140 HydrophobicContact CG-CG2 4.43Å; M14-I140 HydrophobicContact SD-CG2 3.5Å; M14-I140 WeakPolarHBondContact SD-CG2 3.44Å; L94-I140 HydrophobicContact CD2-CG1 4.48Å; L108-I140 HydrophobicContact CD2-CB 4.23Å; L108-I140 HydrophobicContact CD2-CG2 3.51Å; V136-I140 HydrophobicContact CG1-CD1 3.84Å; V136-I140 HydrophobicContact CG1-CG1 4.37Å; V136-I140 VanDerWaalsContact O-CG1 3.3Å; V136-I140 WeakPolarHBondContact O-CG1 3.43Å; V136-I140 PolarHBondContact O-N 2.71Å; K138-I140 VanDerWaalsContact C-N 3.33Å; K138-I140 PolarHBondContact O-N 3.05Å; I140-D142 PolarHBondContact O-N 3.08Å; I140-K143 PolarHBondContact O-N 3.2Å; I140-I144 HydrophobicContact CG2-CD1 3.91Å; I140-I144 HydrophobicContact CG2-CG1 4.34Å; I140-I144 WeakPolarHBondContact O-CG1 3.45Å; I140-I144 PolarHBondContact O-N 3.06Å
141Y88.8Confident82.3Confident23 Ų2340.1 Ų40.19%0.0923%0.226CC..Hα-helixtrans-55.4-50.7175.9173.2-94000111.9L108 V137 K138 V139 K143 I144 L145 I159 W187L108-Y141 HydrophobicContact CD1-CD2 4.27Å; V137-Y141 VanDerWaalsContact O-CB 3.3Å; V137-Y141 WeakPolarHBondContact O-CB 3.47Å; V137-Y141 PolarHBondContact O-N 2.81Å; K138-Y141 WeakPolarHBondContact O-CB 3.45Å; K138-Y141 PolarHBondContact O-N 3.48Å; V139-Y141 VanDerWaalsContact C-N 3.34Å; Y141-K143 VanDerWaalsContact C-N 3.31Å; Y141-K143 PolarHBondContact O-N 3.08Å; Y141-I144 WeakPolarHBondContact O-CB 3.48Å; Y141-I144 PolarHBondContact O-N 3.01Å; Y141-I144 VanDerWaalsContact O-N 3.14Å; Y141-L145 HydrophobicContact CD1-CD1 4.19Å; Y141-L145 HydrophobicContact CD1-CG 4.48Å; Y141-L145 HydrophobicContact CE1-CD1 3.42Å; Y141-L145 VanDerWaalsContact CE1-CD1 3.42Å; Y141-L145 HydrophobicContact CE1-CG 4.06Å; Y141-L145 HydrophobicContact CE2-CD1 4.42Å; Y141-L145 HydrophobicContact CE2-CD2 4.37Å; Y141-L145 HydrophobicContact CE2-CG 4.42Å; Y141-L145 PolarHBondContact O-N 3.23Å; Y141-L145 VanDerWaalsContact O-N 3.08Å; Y141-I159 HydrophobicContact CD2-CD1 3.78Å; Y141-I159 HydrophobicContact CE2-CD1 3.67Å; Y141-W187 AromaticContact CD1-CD1 3.95Å; Y141-W187 HydrophobicContact CD1-CD2 4.15Å; Y141-W187 AromaticContact CD1-CE2 3.84Å; Y141-W187 HydrophobicContact CD1-CG 4.22Å; Y141-W187 HydrophobicContact CD1-CZ2 4.3Å; Y141-W187 AromaticContact CD1-NE1 3.7Å; Y141-W187 HydrophobicContact CD2-CB 4.3Å; Y141-W187 AromaticContact CD2-CD2 3.71Å; Y141-W187 HydrophobicContact CD2-CD2 3.71Å; Y141-W187 AromaticContact CD2-CE3 3.78Å; Y141-W187 HydrophobicContact CD2-CE3 3.78Å; Y141-W187 AromaticContact CD2-CG 3.96Å; Y141-W187 HydrophobicContact CD2-CG 3.96Å; Y141-W187 HydrophobicContact CD2-CZ3 4.29Å; Y141-W187 HydrophobicContact CE1-CB 4.42Å; Y141-W187 AromaticContact CE1-CD1 3.5Å; Y141-W187 VanDerWaalsContact CE1-CD1 3.5Å; Y141-W187 HydrophobicContact CE1-CD2 4.27Å; Y141-W187 AromaticContact CE1-CG 3.86Å; Y141-W187 HydrophobicContact CE1-CG 3.86Å; Y141-W187 AromaticContact CE1-NE1 3.72Å; Y141-W187 HydrophobicContact CE2-CB 3.54Å; Y141-W187 AromaticContact CE2-CD2 3.85Å; Y141-W187 HydrophobicContact CE2-CD2 3.85Å; Y141-W187 HydrophobicContact CE2-CE3 4.19Å; Y141-W187 AromaticContact CE2-CG 3.57Å; Y141-W187 HydrophobicContact CE2-CG 3.57Å; Y141-W187 AromaticContact CG-CD2 3.86Å; Y141-W187 HydrophobicContact CG-CD2 3.86Å; Y141-W187 AromaticContact CG-CE2 3.81Å; Y141-W187 HydrophobicContact CG-CE3 4.14Å; Y141-W187 HydrophobicContact CG-CG 4.26Å; Y141-W187 HydrophobicContact CG-CH2 4.35Å; Y141-W187 HydrophobicContact CG-CZ2 4.07Å; Y141-W187 HydrophobicContact CG-CZ3 4.38Å; Y141-W187 AromaticContact CZ-CD1 3.57Å; Y141-W187 AromaticContact CZ-CG 3.5Å; Y141-W187 VanDerWaalsContact CZ-CG 3.5Å; Y141-W187 PolarHBondContact OH-O 3.26Å
142D86.6Confident82.3Confident90 Ų9041.5 Ų41.548%0.48124%0.242SC..Hα-helixtrans-58.7-44.2178.3-66.5-20.3000110.9K138 V139 I140 I144 L145 D146K138-D142 PolarHBondContact O-N 3.44Å; V139-D142 PolarHBondContact O-N 3.43Å; I140-D142 PolarHBondContact O-N 3.08Å; D142-I144 VanDerWaalsContact C-N 3.35Å; D142-I144 PolarHBondContact O-N 3.14Å; D142-L145 PolarHBondContact O-N 3.35Å; D142-D146 PolarHBondContact O-N 2.77Å
143K82.5Confident81.7Confident41 Ų4147.1 Ų47.118%0.17827%0.272CS..Hα-helixtrans-64-35.3176.7-71.4-168.5-179.7-166.60113.7F88 K89 E91 L94 V139 I140 Y141 S147F88-K143 VanDerWaalsContact O-CE 3.26Å; F88-K143 WeakPolarHBondContact O-CE 3.39Å; F88-K143 PolarHBondContact O-NZ 3.03Å; K89-K143 VanDerWaalsContact O-CE 3.25Å; K89-K143 WeakPolarHBondContact O-CE 3.44Å; K89-K143 PolarHBondContact O-NZ 2.83Å; E91-K143 PolarHBondContact O-NZ 2.86Å; L94-K143 HydrophobicContact CB-CD 3.62Å; L94-K143 HydrophobicContact CD1-CD 3.68Å; L94-K143 HydrophobicContact CG-CD 4.27Å; V139-K143 WeakPolarHBondContact O-CG 3.47Å; V139-K143 PolarHBondContact O-N 2.85Å; V139-K143 VanDerWaalsContact O-N 3.1Å; I140-K143 PolarHBondContact O-N 3.2Å; Y141-K143 VanDerWaalsContact C-N 3.31Å; Y141-K143 PolarHBondContact O-N 3.08Å; K143-S147 VanDerWaalsContact O-CB 3.27Å; K143-S147 WeakPolarHBondContact O-CB 3.48Å; K143-S147 PolarHBondContact O-N 2.87Å; K143-S147 PolarHBondContact O-OG 3.19Å
144I86.1Confident80.5Confident1 Ų152.8 Ų52.81%0.00531%0.307CS..Hα-helixtrans-62.1-50.4174.2-70.8163000109M14 Y106 L108 I140 Y141 D142 D146 S147 V148 V157 I159M14-I144 HydrophobicContact CE-CD1 4.31Å; M14-I144 HydrophobicContact CE-CG1 4.4Å; M14-I144 HydrophobicContact SD-CD1 3.86Å; M14-I144 HydrophobicContact SD-CG1 4.17Å; Y106-I144 HydrophobicContact CD1-CB 4.5Å; Y106-I144 HydrophobicContact CD1-CD1 3.48Å; Y106-I144 VanDerWaalsContact CD1-CD1 3.48Å; Y106-I144 HydrophobicContact CD1-CG1 3.73Å; Y106-I144 HydrophobicContact CD1-CG2 3.92Å; Y106-I144 HydrophobicContact CD2-CG2 4.12Å; Y106-I144 HydrophobicContact CE1-CB 4.43Å; Y106-I144 HydrophobicContact CE1-CD1 4.15Å; Y106-I144 HydrophobicContact CE1-CG1 3.85Å; Y106-I144 HydrophobicContact CE1-CG2 3.76Å; Y106-I144 HydrophobicContact CE2-CG2 3.98Å; Y106-I144 HydrophobicContact CG-CD1 3.96Å; Y106-I144 HydrophobicContact CG-CG1 4.49Å; Y106-I144 HydrophobicContact CG-CG2 4.12Å; L108-I144 HydrophobicContact CD2-CD1 3.77Å; I140-I144 HydrophobicContact CG2-CD1 3.91Å; I140-I144 HydrophobicContact CG2-CG1 4.34Å; I140-I144 WeakPolarHBondContact O-CG1 3.45Å; I140-I144 PolarHBondContact O-N 3.06Å; Y141-I144 WeakPolarHBondContact O-CB 3.48Å; Y141-I144 PolarHBondContact O-N 3.01Å; Y141-I144 VanDerWaalsContact O-N 3.14Å; D142-I144 VanDerWaalsContact C-N 3.35Å; D142-I144 PolarHBondContact O-N 3.14Å; I144-D146 VanDerWaalsContact C-N 3.34Å; I144-D146 PolarHBondContact O-N 2.88Å; I144-S147 PolarHBondContact O-N 3.49Å; I144-S147 VanDerWaalsContact O-N 3.1Å; I144-S147 PolarHBondContact O-OG 3.49Å; I144-V148 HydrophobicContact CG2-CG1 4.49Å; I144-V148 WeakPolarHBondContact O-CG2 3.19Å; I144-V148 PolarHBondContact O-N 3.38Å; I144-V157 HydrophobicContact CG2-CG1 4.06Å; I144-I159 HydrophobicContact CG2-CD1 4.26Å
145L87.1Confident79.4Confident27 Ų2756.5 Ų56.514%0.14133%0.333CS..Hα-helixtrans-58.3-45.3-179.7-64.9-169000112.2Y141 D142 S147 V148 G149 Y150 V157 I159Y141-L145 HydrophobicContact CD1-CD1 4.19Å; Y141-L145 HydrophobicContact CD1-CG 4.48Å; Y141-L145 HydrophobicContact CE1-CD1 3.42Å; Y141-L145 VanDerWaalsContact CE1-CD1 3.42Å; Y141-L145 HydrophobicContact CE1-CG 4.06Å; Y141-L145 HydrophobicContact CE2-CD1 4.42Å; Y141-L145 HydrophobicContact CE2-CD2 4.37Å; Y141-L145 HydrophobicContact CE2-CG 4.42Å; Y141-L145 PolarHBondContact O-N 3.23Å; Y141-L145 VanDerWaalsContact O-N 3.08Å; D142-L145 PolarHBondContact O-N 3.35Å; L145-S147 VanDerWaalsContact C-N 3.33Å; L145-S147 PolarHBondContact O-N 2.86Å; L145-V148 WeakPolarHBondContact O-CG2 3.19Å; L145-V148 PolarHBondContact O-N 2.78Å; L145-G149 PolarHBondContact O-N 2.89Å; L145-Y150 HydrophobicContact CD1-CD1 4.05Å; L145-Y150 HydrophobicContact CD2-CD1 3.84Å; L145-Y150 HydrophobicContact CD2-CG 4.08Å; L145-Y150 HydrophobicContact CG-CD1 4.38Å; L145-Y150 PolarHBondContact O-N 3.38Å; L145-V157 HydrophobicContact CD2-CB 4.43Å; L145-V157 HydrophobicContact CD2-CG2 3.87Å; L145-I159 HydrophobicContact CD2-CD1 4.47Å
146D83.9Confident79Confident132 Ų13258 Ų5871%0.70635%0.346SS*.Hα-helixtrans-60.2-44175.3-70.2-18.7000111.2D142 I144 V148 G149D142-D146 PolarHBondContact O-N 2.77Å; I144-D146 VanDerWaalsContact C-N 3.34Å; I144-D146 PolarHBondContact O-N 2.88Å; D146-V148 VanDerWaalsContact C-N 3.35Å; D146-V148 PolarHBondContact O-N 3.14Å; D146-G149 PolarHBondContact O-N 3.4Å
147S79.6Confident79.3Confident56 Ų5658.9 Ų58.939%0.39235%0.351SS..Hα-helixtrans-68.2-30.7-177.1760000114.1K143 I144 L145K143-S147 VanDerWaalsContact O-CB 3.27Å; K143-S147 WeakPolarHBondContact O-CB 3.48Å; K143-S147 PolarHBondContact O-N 2.87Å; K143-S147 PolarHBondContact O-OG 3.19Å; I144-S147 PolarHBondContact O-N 3.49Å; I144-S147 VanDerWaalsContact O-N 3.1Å; I144-S147 PolarHBondContact O-OG 3.49Å; L145-S147 VanDerWaalsContact C-N 3.33Å; L145-S147 PolarHBondContact O-N 2.86Å
148V82.4Confident79.6Confident65 Ų6559.4 Ų59.439%0.39435%0.354SS..Hα-helixtrans-90.2-3.6177.5-56.90000112.6I144 L145 D146 Y150 V157I144-V148 HydrophobicContact CG2-CG1 4.49Å; I144-V148 WeakPolarHBondContact O-CG2 3.19Å; I144-V148 PolarHBondContact O-N 3.38Å; L145-V148 WeakPolarHBondContact O-CG2 3.19Å; L145-V148 PolarHBondContact O-N 2.78Å; D146-V148 VanDerWaalsContact C-N 3.35Å; D146-V148 PolarHBondContact O-N 3.14Å; V148-Y150 VanDerWaalsContact C-N 3.35Å; V148-V157 HydrophobicContact CG2-CG2 3.79Å
149G79.4Confident79.8Confident53 Ų5357 Ų5755%0.54634%0.344SS..THydrogen-bonded Turntrans65.935.3-176.700000113L145 D146 T151L145-G149 PolarHBondContact O-N 2.89Å; D146-G149 PolarHBondContact O-N 3.4Å; G149-T151 PolarHBondContact O-N 3.08Å
150Y77.3Confident80.5Confident63 Ų6356.2 Ų56.225%0.24734%0.339CS..  trans-69.4112.9-178.4179.2-107.4000110.9L145 V148 G152 S155 V157L145-Y150 HydrophobicContact CD1-CD1 4.05Å; L145-Y150 HydrophobicContact CD2-CD1 3.84Å; L145-Y150 HydrophobicContact CD2-CG 4.08Å; L145-Y150 HydrophobicContact CG-CD1 4.38Å; L145-Y150 PolarHBondContact O-N 3.38Å; V148-Y150 VanDerWaalsContact C-N 3.35Å; Y150-G152 PolarHBondContact OH-O 3.49Å; Y150-S155 WeakPolarHBondContact CD2-O 3.34Å; Y150-S155 WeakPolarHBondContact CE2-O 3.5Å; Y150-V157 HydrophobicContact CD2-CG2 4.05Å; Y150-V157 HydrophobicContact CG-CG2 4.23Å
151T73.3Confident81.1Confident117 Ų11756 Ų5672%0.71834%0.338SS*.  trans-91.8-3.1-17960.70000114.1G149G149-T151 PolarHBondContact O-N 3.08Å
152G68.5Low81.5Confident35 Ų3554.9 Ų54.936%0.36133%0.334SS..SBendtrans97.7-16.1-178.700000115.6Y150Y150-G152 PolarHBondContact OH-O 3.49Å
153D61.7Low82Confident137 Ų13750.6 Ų50.673%0.73331%0.311SS*.SBendtrans-99.3-28.3-160.2-71.6-35000116.5
154V54.5Low82.6Confident139 Ų13948.8 Ų48.884%0.84230%0.303SS*.SBendtrans-143.6-26.3-168.4-164.60000117.2
155S62.5Low83Confident77 Ų7751 Ų5154%0.53831%0.313SS..  trans-117.2107.1-174.449.90000113.2Y150 V157Y150-S155 WeakPolarHBondContact CD2-O 3.34Å; Y150-S155 WeakPolarHBondContact CE2-O 3.5Å; S155-V157 PolarHBondContact O-N 3.25Å; S155-V157 VanDerWaalsContact O-N 3.07Å
156V77.2Confident83.3Confident82 Ų8252.2 Ų52.250%0.49732%0.319SS..  trans-62.7115.2169.3179.20000108.3P158V156-P158 VanDerWaalsContact O-CD 3.3Å; V156-P158 WeakPolarHBondContact O-CD 3.01Å
157V88.3Confident83.7Confident21 Ų2148.2 Ų48.213%0.12730%0.298CS..  trans-69.1122171.9-171.10000107.8Y106 I144 L145 V148 Y150 S155 I159Y106-V157 HydrophobicContact CD2-CG1 3.95Å; Y106-V157 HydrophobicContact CE2-CG1 3.92Å; I144-V157 HydrophobicContact CG2-CG1 4.06Å; L145-V157 HydrophobicContact CD2-CB 4.43Å; L145-V157 HydrophobicContact CD2-CG2 3.87Å; V148-V157 HydrophobicContact CG2-CG2 3.79Å; Y150-V157 HydrophobicContact CD2-CG2 4.05Å; Y150-V157 HydrophobicContact CG-CG2 4.23Å; S155-V157 PolarHBondContact O-N 3.25Å; S155-V157 VanDerWaalsContact O-N 3.07Å; V157-I159 HydrophobicContact CB-CD1 3.91Å; V157-I159 HydrophobicContact CB-CG1 4.12Å; V157-I159 HydrophobicContact CG1-CD1 3.81Å; V157-I159 HydrophobicContact CG1-CG1 3.8Å; V157-I159 PolarHBondContact O-N 2.98Å
158P93.9Very high84.1Confident12 Ų1247.7 Ų47.78%0.07829%0.29CS..  trans-67.297.1-179.5-22.936.1000111.2H104 G105 Y106 V156 L209 Q212 V213 A216H104-P158 WeakPolarHBondContact O-CG 3.3Å; G105-P158 WeakPolarHBondContact CA-O 3.44Å; Y106-P158 PolarHBondContact N-O 2.95Å; V156-P158 VanDerWaalsContact O-CD 3.3Å; V156-P158 WeakPolarHBondContact O-CD 3.01Å; P158-L209 HydrophobicContact CB-CD1 4.2Å; P158-Q212 HydrophobicContact CB-CB 3.92Å; P158-V213 HydrophobicContact CB-CB 4.39Å; P158-V213 HydrophobicContact CB-CG2 3.61Å; P158-V213 HydrophobicContact CG-CB 4.43Å; P158-V213 HydrophobicContact CG-CG2 4.03Å; P158-A216 HydrophobicContact CG-CB 3.83Å
159I94.6Very high84.1Confident4 Ų451.1 Ų51.12%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-126.8134.7-177.4-58.6171000109.3Y106 L108 Y141 I144 L145 V157 A189 S190 Q212Y106-I159 HydrophobicContact CD2-CG1 4.4Å; Y106-I159 WeakPolarHBondContact O-CA 3.3Å; L108-I159 HydrophobicContact CD1-CG2 3.8Å; L108-I159 HydrophobicContact CG-CG2 4.07Å; Y141-I159 HydrophobicContact CD2-CD1 3.78Å; Y141-I159 HydrophobicContact CE2-CD1 3.67Å; I144-I159 HydrophobicContact CG2-CD1 4.26Å; L145-I159 HydrophobicContact CD2-CD1 4.47Å; V157-I159 HydrophobicContact CB-CD1 3.91Å; V157-I159 HydrophobicContact CB-CG1 4.12Å; V157-I159 HydrophobicContact CG1-CD1 3.81Å; V157-I159 HydrophobicContact CG1-CG1 3.8Å; V157-I159 PolarHBondContact O-N 2.98Å; I159-A189 HydrophobicContact CB-CB 4.16Å; I159-A189 HydrophobicContact CG2-CB 4.14Å; I159-A189 WeakPolarHBondContact O-CB 3.41Å; I159-S190 PolarHBondContact O-N 3.47Å; I159-Q212 PolarHBondContact O-NE2 2.83Å; I159-Q212 PolarHBondContact O-OE1 3.15Å; I159-Q212 VanDerWaalsContact O-OE1 3.12Å
160I97.2Very high84Confident0 Ų055.1 Ų55.10%031%0.306CS..EExtended strand (participates in β ladder)trans-123.5126.9167.5-172.9152.6000110.4Y106 V107 L108 V162 S190 L192 L205 R208 L209Y106-I160 PolarHBondContact O-N 3.47Å; V107-I160 HydrophobicContact CB-CG2 4.3Å; V107-I160 HydrophobicContact CG1-CG2 4.25Å; V107-I160 HydrophobicContact CG2-CG2 3.94Å; L108-I160 PolarHBondContact N-O 3.21Å; I160-V162 HydrophobicContact CG1-CG2 4.17Å; I160-V162 HydrophobicContact CG2-CG2 4.31Å; I160-S190 CarbonylContact C-O 3.56Å; I160-S190 WeakPolarHBondContact CA-O 3.5Å; I160-L192 HydrophobicContact CD1-CB 4.29Å; I160-L205 HydrophobicContact CB-CD1 4.36Å; I160-L205 HydrophobicContact CD1-CD1 3.65Å; I160-L205 HydrophobicContact CG1-CD1 3.89Å; I160-L205 HydrophobicContact CG2-CD1 3.55Å; I160-R208 HydrophobicContact CD1-CB 3.86Å; I160-L209 HydrophobicContact CG2-CB 4.19Å; I160-L209 HydrophobicContact CG2-CD1 4.17Å; I160-L209 HydrophobicContact CG2-CD2 4.45Å
161L97.6Very high83.9Confident0 Ų058.9 Ų58.90%034%0.336CS..EExtended strand (participates in β ladder)trans-89.8128.2171.317961.8000109.3L108 Y110 F134 V137 G180 T183 A184 W187 S190 F191 L192L108-L161 HydrophobicContact CB-CD1 4.05Å; L108-L161 CarbonylContact O-C 3.58Å; L108-L161 WeakPolarHBondContact O-CA 3.32Å; Y110-L161 HydrophobicContact CD1-CD1 3.75Å; Y110-L161 HydrophobicContact CD1-CG 4.29Å; Y110-L161 HydrophobicContact CE1-CD1 4Å; Y110-L161 HydrophobicContact CE1-CD2 4.44Å; Y110-L161 HydrophobicContact CE1-CG 4.02Å; F134-L161 HydrophobicContact CE2-CD2 4.47Å; F134-L161 HydrophobicContact CZ-CD2 4.47Å; V137-L161 HydrophobicContact CB-CD1 4.28Å; V137-L161 HydrophobicContact CG1-CD1 4.47Å; V137-L161 HydrophobicContact CG2-CD1 4.03Å; L161-G180 WeakPolarHBondContact CD2-O 3.18Å; L161-T183 HydrophobicContact CD2-CG2 4.02Å; L161-A184 HydrophobicContact CB-CB 4.21Å; L161-A184 HydrophobicContact CD2-CB 4.25Å; L161-W187 HydrophobicContact CB-CZ3 4.4Å; L161-W187 HydrophobicContact CD1-CZ3 4.09Å; L161-W187 HydrophobicContact CD2-CE3 4.46Å; L161-W187 HydrophobicContact CD2-CZ3 3.96Å; L161-W187 HydrophobicContact CG-CZ3 4.38Å; L161-S190 PolarHBondContact N-O 2.88Å; L161-F191 HydrophobicContact CB-CD2 4.44Å; L161-F191 HydrophobicContact CD2-CD2 4.43Å; L161-F191 HydrophobicContact CG-CD2 4.3Å; L161-F191 WeakPolarHBondContact O-CA 3.47Å; L161-L192 PolarHBondContact O-N 3.33Å
162V97.8Very high84.3Confident0 Ų057.9 Ų57.90%032%0.323CS..EExtended strand (participates in β ladder)trans-124.2115.9-172.1-174.60000111I24 V107 L108 V109 Y110 I160 L192 T194 L205I24-V162 HydrophobicContact CD1-CG1 4.32Å; V107-V162 HydrophobicContact CG1-CB 4.46Å; V107-V162 HydrophobicContact CG1-CG2 3.65Å; L108-V162 PolarHBondContact O-N 2.94Å; V109-V162 WeakPolarHBondContact CA-O 3.18Å; V109-V162 HydrophobicContact CG2-CB 4.48Å; Y110-V162 WeakPolarHBondContact CD1-O 3.42Å; Y110-V162 PolarHBondContact N-O 2.9Å; I160-V162 HydrophobicContact CG1-CG2 4.17Å; I160-V162 HydrophobicContact CG2-CG2 4.31Å; V162-L192 CarbonylContact C-O 3.39Å; V162-L192 VanDerWaalsContact CA-O 3.29Å; V162-L192 WeakPolarHBondContact CA-O 3.31Å; V162-T194 HydrophobicContact CG1-CG2 3.89Å; V162-T194 WeakPolarHBondContact CG1-OG1 3.35Å; V162-L205 HydrophobicContact CG1-CD2 4.48Å; V162-L205 HydrophobicContact CG2-CD1 3.35Å; V162-L205 HydrophobicContact CG2-CD2 4.12Å; V162-L205 HydrophobicContact CG2-CG 4.38Å
163G96.8Very high85.3Confident0 Ų058.3 Ų58.30%031%0.313CS..EExtended strand (participates in β ladder)trans-83107.9163.200000110Y110 L192 E193 T194Y110-G163 VanDerWaalsContact CE1-CA 3.41Å; G163-L192 PolarHBondContact N-O 2.87Å; G163-E193 CarbonylContact O-C 3.6Å; G163-E193 WeakPolarHBondContact O-CA 3.36Å; G163-T194 PolarHBondContact O-N 2.88Å
164N95.7Very high86.6Confident4 Ų454.2 Ų54.22%0.02129%0.29CS..EExtended strand (participates in β ladder)trans-97169.4179.2-172.736.4000111.9V19 I24 V109 Y110 A111 I112 T194 A196V19-N164 PolarHBondContact O-ND2 3.4Å; I24-N164 HydrophobicContact CD1-CB 4.18Å; V109-N164 HydrophobicContact CG1-CB 3.83Å; Y110-N164 PolarHBondContact O-N 3.16Å; A111-N164 WeakPolarHBondContact CA-O 3.33Å; I112-N164 PolarHBondContact N-O 3.1Å; N164-T194 CarbonylContact C-O 3.55Å; N164-T194 WeakPolarHBondContact CA-O 3.18Å; N164-T194 PolarHBondContact OD1-O 2.69Å; N164-T194 PolarHBondContact OD1-OG1 2.71Å; N164-A196 PolarHBondContact OD1-N 3.11Å
165K94.1Very high88.3Confident48 Ų4847.6 Ų47.621%0.20925%0.25CS..  trans69.438.5-177.8-47-170.3-171.4174.30113.3S18 A111 I112 D167 L168 T194S18-K165 WeakPolarHBondContact O-CE 3.09Å; S18-K165 PolarHBondContact O-NZ 3.07Å; A111-K165 HydrophobicContact CB-CD 3.92Å; A111-K165 HydrophobicContact CB-CG 4.2Å; I112-K165 WeakPolarHBondContact CD1-O 3.42Å; I112-K165 WeakPolarHBondContact CG1-O 3.29Å; K165-D167 WeakPolarHBondContact CA-OD1 3.08Å; K165-D167 PolarHBondContact O-N 3.04Å; K165-D167 VanDerWaalsContact O-N 3.17Å; K165-L168 HydrophobicContact CB-CD1 3.65Å; K165-L168 HydrophobicContact CB-CG 3.96Å; K165-L168 HydrophobicContact CD-CD1 3.88Å; K165-L168 HydrophobicContact CG-CD1 4.45Å; K165-L168 WeakPolarHBondContact O-CB 3.25Å; K165-L168 WeakPolarHBondContact O-CG 3.26Å; K165-L168 PolarHBondContact O-N 3.48Å; K165-L168 VanDerWaalsContact O-N 3.12Å; K165-T194 PolarHBondContact N-O 3.38Å
166L93.6Very high89.8Confident51 Ų5146.3 Ų46.327%0.26724%0.241SC..THydrogen-bonded Turntrans-61.7-17.9176.8-17160.3000113.5I112 L168 E193 T194I112-L166 HydrophobicContact CD1-CD1 4.26Å; L166-L168 PolarHBondContact O-N 2.86Å; L166-E193 HydrophobicContact CD1-CB 4.37Å; L166-E193 VanDerWaalsContact CD1-OE2 3.29Å; L166-E193 WeakPolarHBondContact CD1-OE2 3.12Å; L166-E193 HydrophobicContact CD2-CB 4.08Å; L166-T194 VanDerWaalsContact CB-O 3.27Å; L166-T194 WeakPolarHBondContact CB-O 3.44Å; L166-T194 PolarHBondContact N-O 3.38Å; L166-T194 VanDerWaalsContact N-O 3.08Å
167D90.9Very high90.6Very high48 Ų4844 Ų4426%0.25723%0.23SC..THydrogen-bonded Turntrans-68.9-17.3174.656.5-72.6000113.8K165 T195 K197K165-D167 WeakPolarHBondContact CA-OD1 3.08Å; K165-D167 PolarHBondContact O-N 3.04Å; K165-D167 VanDerWaalsContact O-N 3.17Å; D167-T195 HydrophobicContact CB-CG2 4.34Å; D167-T195 VanDerWaalsContact OD1-CB 3.29Å; D167-T195 WeakPolarHBondContact OD1-CB 3.47Å; D167-T195 PolarHBondContact OD1-OG1 3.21Å; D167-K197 WeakPolarHBondContact OD2-CD 3.47Å
168L88.7Confident91Very high45 Ų4545.7 Ų45.724%0.23624%0.239CC..SBendtrans-70.7147.3177.8-62.4178.3000111.3N113 K165 L166N113-L168 HydrophobicContact CB-CD1 3.74Å; N113-L168 WeakPolarHBondContact ND2-CD1 2.84Å; K165-L168 HydrophobicContact CB-CD1 3.65Å; K165-L168 HydrophobicContact CB-CG 3.96Å; K165-L168 HydrophobicContact CD-CD1 3.88Å; K165-L168 HydrophobicContact CG-CD1 4.45Å; K165-L168 WeakPolarHBondContact O-CB 3.25Å; K165-L168 WeakPolarHBondContact O-CG 3.26Å; K165-L168 PolarHBondContact O-N 3.48Å; K165-L168 VanDerWaalsContact O-N 3.12Å; L166-L168 PolarHBondContact O-N 2.86Å
169Q82.1Confident91Very high138 Ų13847.3 Ų47.365%0.64525%0.245SC*.  trans-58.7145.1-178.8-65.6-63.5-36.300111V171 E172Q169-V171 PolarHBondContact O-N 2.79Å; Q169-E172 WeakPolarHBondContact O-CB 2.99Å; Q169-E172 PolarHBondContact O-N 2.9Å
170Q78.5Confident91Very high136 Ų13647.1 Ų47.164%0.63624%0.244SC*.G310 helixtrans-58.6-25.4-177.5-173.663.510.300113.1E172 R173Q170-E172 VanDerWaalsContact C-N 3.25Å; Q170-E172 PolarHBondContact O-N 3.12Å; Q170-R173 WeakPolarHBondContact O-CB 3.41Å; Q170-R173 PolarHBondContact O-N 3.07Å
171V74.7Confident91Very high143 Ų14351.7 Ų51.787%0.86726%0.262SS*.G310 helixtrans-65.5-27.6175.1-179.30000112.4Q169Q169-V171 PolarHBondContact O-N 2.79Å
172E81.7Confident91Very high95 Ų9557.3 Ų57.344%0.44429%0.286SS..G310 helixtrans-85.8-10.1178.1-59.8-176.1-175.700112.8N113 Q169 Q170 E174N113-E172 VanDerWaalsContact CA-O 3.26Å; N113-E172 WeakPolarHBondContact CA-O 3.39Å; N113-E172 HydrophobicContact CB-CB 4.28Å; N113-E172 WeakPolarHBondContact CB-O 3.21Å; Q169-E172 WeakPolarHBondContact O-CB 2.99Å; Q169-E172 PolarHBondContact O-N 2.9Å; Q170-E172 VanDerWaalsContact C-N 3.25Å; Q170-E172 PolarHBondContact O-N 3.12Å; E172-E174 PolarHBondContact O-N 3.31Å
173R90.1Very high90.9Very high44 Ų4458 Ų5817%0.16629%0.291CS..  trans-69.4121.2-178.6-179.9-178.2-78.5-93.49.4110.4I112 Q170 V175 E193I112-R173 HydrophobicContact CB-CG 4.44Å; Q170-R173 WeakPolarHBondContact O-CB 3.41Å; Q170-R173 PolarHBondContact O-N 3.07Å; R173-V175 WeakPolarHBondContact CD-O 3.34Å; R173-V175 WeakPolarHBondContact CG-O 3.32Å; R173-V175 PolarHBondContact NH1-O 3.12Å; R173-E193 IonicContact CZ-OE1 2.83Å; R173-E193 IonicContact CZ-OE2 3.51Å; R173-E193 IonicContact NH1-OE1 2.67Å; R173-E193 PolarHBondContact NH1-OE1 3.1Å; R173-E193 IonicContact NH1-OE2 2.71Å; R173-E193 IonicContact NH2-OE1 2.66Å; R173-E193 PolarHBondContact NH2-OE1 3.25Å; R173-E193 IonicContact NH2-OE2 3.38Å; R173-E193 PolarHBondContact NH2-OE2 2.97Å
174E89Confident90.8Very high52 Ų5258.1 Ų58.124%0.24329%0.291CS..  trans-106.8-23176.2-55.5-166.8147.400112.8I112 R115 K116 E172I112-E174 PolarHBondContact O-N 2.88Å; R115-E174 VanDerWaalsContact CA-OE2 3.28Å; R115-E174 WeakPolarHBondContact CA-OE2 3.24Å; R115-E174 HydrophobicContact CB-CB 3.47Å; R115-E174 VanDerWaalsContact CB-CB 3.47Å; R115-E174 HydrophobicContact CB-CG 4.44Å; R115-E174 VanDerWaalsContact CB-OE2 3.26Å; R115-E174 WeakPolarHBondContact CB-OE2 3.24Å; R115-E174 PolarHBondContact N-OE2 3.01Å; R115-E174 PolarHBondContact NE-O 3.15Å; R115-E174 PolarHBondContact NH2-O 2.86Å; K116-E174 PolarHBondContact N-OE2 3.22Å; E172-E174 PolarHBondContact O-N 3.31Å
175V90.3Very high90.8Very high0 Ų063.3 Ų63.30%032%0.315CS..SBendtrans-114.1122176.4-176.20000109.5Y110 I112 R115 F134 R173 E179Y110-V175 HydrophobicContact CD2-CB 4.35Å; Y110-V175 HydrophobicContact CD2-CG1 4.28Å; Y110-V175 HydrophobicContact CD2-CG2 4.43Å; Y110-V175 HydrophobicContact CE2-CB 3.83Å; Y110-V175 HydrophobicContact CE2-CG1 3.56Å; Y110-V175 HydrophobicContact CE2-CG2 4.4Å; I112-V175 PolarHBondContact O-N 3.07Å; R115-V175 HydrophobicContact CB-CG2 4.05Å; F134-V175 HydrophobicContact CB-CG2 4.14Å; F134-V175 HydrophobicContact CD2-CG1 4.01Å; F134-V175 HydrophobicContact CD2-CG2 4.44Å; F134-V175 HydrophobicContact CE2-CG1 4.12Å; F134-V175 HydrophobicContact CG-CG1 4.29Å; F134-V175 HydrophobicContact CG-CG2 4.33Å; F134-V175 HydrophobicContact CZ-CG1 4.48Å; R173-V175 WeakPolarHBondContact CD-O 3.34Å; R173-V175 WeakPolarHBondContact CG-O 3.32Å; R173-V175 PolarHBondContact NH1-O 3.12Å; V175-E179 HydrophobicContact CG1-CB 4.49Å; V175-E179 HydrophobicContact CG1-CG 4.47Å
176S92.4Very high90.7Very high49 Ų4969.4 Ų69.434%0.34334%0.342SS..  trans-74.7150.6179.273.30000111.2D178 E179 G180S176-D178 PolarHBondContact O-N 3.17Å; S176-E179 PolarHBondContact O-N 3.03Å; S176-E179 WeakPolarHBondContact OG-CB 3.42Å; S176-E179 PolarHBondContact OG-N 3.31Å; S176-E179 VanDerWaalsContact OG-N 3.11Å; S176-G180 PolarHBondContact O-N 3.48Å
177A94.4Very high90.6Very high34 Ų3468.1 Ų68.128%0.28133%0.333SS..Hα-helixtrans-60.1-30.2172.700000112R181 F191A177-R181 VanDerWaalsContact O-CB 3.32Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 3.41Å; A177-F191 WeakPolarHBondContact O-CE1 3.5Å
178D96.1Very high90.6Very high57 Ų5773.4 Ų73.431%0.30535%0.354SS..Hα-helixtrans-66.6-41.6177.4-172.168.2000113.1S176 R181 K182S176-D178 PolarHBondContact O-N 3.17Å; D178-R181 VanDerWaalsContact CA-NH2 3.33Å; D178-R181 PolarHBondContact O-N 2.91Å; D178-R181 IonicContact OD1-CZ 3.43Å; D178-R181 IonicContact OD1-NH1 3.01Å; D178-R181 PolarHBondContact OD1-NH1 2.93Å; D178-R181 IonicContact OD1-NH2 2.75Å; D178-R181 PolarHBondContact OD1-NH2 2.77Å; D178-R181 VanDerWaalsContact OD1-NH2 3.1Å; D178-K182 WeakPolarHBondContact O-CB 3.35Å; D178-K182 WeakPolarHBondContact O-CG 3.19Å; D178-K182 PolarHBondContact O-N 3.06Å; D178-K182 WeakPolarHBondContact OD2-CD 3.26Å; D178-K182 WeakPolarHBondContact OD2-CE 3.32Å; D178-K182 IonicContact OD2-NZ 2.85Å; D178-K182 PolarHBondContact OD2-NZ 3.29Å
179E94Very high90.8Very high45 Ų4572.1 Ų72.121%0.2135%0.35CS..Hα-helixtrans-67.6-41.8176.6-178.7177.4-176.300112.4R115 F134 V175 S176 R181 T183R115-E179 IonicContact CZ-OE1 3.43Å; R115-E179 IonicContact CZ-OE2 3.51Å; R115-E179 IonicContact NH1-OE1 2.79Å; R115-E179 PolarHBondContact NH1-OE1 3.02Å; R115-E179 IonicContact NH1-OE2 3.64Å; R115-E179 VanDerWaalsContact NH2-CD 3.33Å; R115-E179 IonicContact NH2-OE1 3.29Å; R115-E179 PolarHBondContact NH2-OE1 3.05Å; R115-E179 IonicContact NH2-OE2 2.59Å; R115-E179 PolarHBondContact NH2-OE2 3.26Å; F134-E179 HydrophobicContact CE1-CG 3.93Å; F134-E179 HydrophobicContact CZ-CG 4.43Å; V175-E179 HydrophobicContact CG1-CB 4.49Å; V175-E179 HydrophobicContact CG1-CG 4.47Å; S176-E179 PolarHBondContact O-N 3.03Å; S176-E179 WeakPolarHBondContact OG-CB 3.42Å; S176-E179 PolarHBondContact OG-N 3.31Å; S176-E179 VanDerWaalsContact OG-N 3.11Å; E179-R181 VanDerWaalsContact C-N 3.35Å; E179-T183 WeakPolarHBondContact O-CB 3.47Å; E179-T183 PolarHBondContact O-N 2.97Å; E179-T183 PolarHBondContact O-OG1 2.93Å
180G95.5Very high91.4Very high0 Ų066.9 Ų66.90%033%0.328CS..Hα-helixtrans-58-48.1171.600000111.5L161 S176 T183 A184L161-G180 WeakPolarHBondContact CD2-O 3.18Å; S176-G180 PolarHBondContact O-N 3.48Å; G180-T183 PolarHBondContact O-N 3.36Å; G180-A184 PolarHBondContact O-N 3.34Å
181R97.3Very high92.3Very high97 Ų9762.1 Ų62.137%0.36631%0.306SS..Hα-helixtrans-61.7-50.1179-164.2-172.8-17.795.11.6112.6A177 D178 E179 T183 A184 E185 F191A177-R181 VanDerWaalsContact O-CB 3.32Å; A177-R181 WeakPolarHBondContact O-CB 3.41Å; A177-R181 PolarHBondContact O-N 3.41Å; D178-R181 VanDerWaalsContact CA-NH2 3.33Å; D178-R181 PolarHBondContact O-N 2.91Å; D178-R181 IonicContact OD1-CZ 3.43Å; D178-R181 IonicContact OD1-NH1 3.01Å; D178-R181 PolarHBondContact OD1-NH1 2.93Å; D178-R181 IonicContact OD1-NH2 2.75Å; D178-R181 PolarHBondContact OD1-NH2 2.77Å; D178-R181 VanDerWaalsContact OD1-NH2 3.1Å; E179-R181 VanDerWaalsContact C-N 3.35Å; R181-T183 PolarHBondContact O-N 3.06Å; R181-A184 PolarHBondContact O-N 2.96Å; R181-A184 VanDerWaalsContact O-N 3.15Å; R181-E185 WeakPolarHBondContact CG-OE1 3.13Å; R181-E185 WeakPolarHBondContact O-CG 3.37Å; R181-E185 PolarHBondContact O-N 2.79Å; R181-F191 HydrophobicContact CB-CD1 3.8Å; R181-F191 HydrophobicContact CB-CE1 4.1Å; R181-F191 HydrophobicContact CB-CG 4.31Å; R181-F191 HydrophobicContact CG-CD1 4.1Å
182K97.2Very high93.4Very high117 Ų11755.3 Ų55.351%0.50927%0.265SS..Hα-helixtrans-59.1-37.1177.6-77.2172.2173.6164.10112.3D178 K186D178-K182 WeakPolarHBondContact O-CB 3.35Å; D178-K182 WeakPolarHBondContact O-CG 3.19Å; D178-K182 PolarHBondContact O-N 3.06Å; D178-K182 WeakPolarHBondContact OD2-CD 3.26Å; D178-K182 WeakPolarHBondContact OD2-CE 3.32Å; D178-K182 IonicContact OD2-NZ 2.85Å; D178-K182 PolarHBondContact OD2-NZ 3.29Å; K182-K186 PolarHBondContact O-N 3.03Å
183T95.3Very high94.1Very high16 Ų1651.6 Ų51.610%0.09825%0.247CC..Hα-helixtrans-65.4-46.4176-58.80000111F134 L161 E179 G180 R181 K186 W187F134-T183 HydrophobicContact CE1-CG2 4.45Å; F134-T183 HydrophobicContact CZ-CG2 4.14Å; L161-T183 HydrophobicContact CD2-CG2 4.02Å; E179-T183 WeakPolarHBondContact O-CB 3.47Å; E179-T183 PolarHBondContact O-N 2.97Å; E179-T183 PolarHBondContact O-OG1 2.93Å; G180-T183 PolarHBondContact O-N 3.36Å; R181-T183 PolarHBondContact O-N 3.06Å; T183-K186 WeakPolarHBondContact O-CB 3.24Å; T183-K186 PolarHBondContact O-N 3.42Å; T183-W187 HydrophobicContact CG2-CD2 4.06Å; T183-W187 HydrophobicContact CG2-CE3 4.18Å; T183-W187 HydrophobicContact CG2-CH2 3.54Å; T183-W187 HydrophobicContact CG2-CZ2 3.38Å; T183-W187 HydrophobicContact CG2-CZ3 3.95Å; T183-W187 VanDerWaalsContact O-CG 3.26Å; T183-W187 PolarHBondContact O-N 3.1Å
184A95.5Very high94.5Very high1 Ų149.5 Ų49.51%0.00824%0.239CC..Hα-helixtrans-64.8-39.4176.500000112.8L161 G180 R181 K186 W187 K188 A189 F191L161-A184 HydrophobicContact CB-CB 4.21Å; L161-A184 HydrophobicContact CD2-CB 4.25Å; G180-A184 PolarHBondContact O-N 3.34Å; R181-A184 PolarHBondContact O-N 2.96Å; R181-A184 VanDerWaalsContact O-N 3.15Å; A184-K186 PolarHBondContact O-N 3.28Å; A184-W187 CarbonylContact O-C 3.43Å; A184-W187 WeakPolarHBondContact O-CA 3.37Å; A184-W187 WeakPolarHBondContact O-CB 3.13Å; A184-W187 PolarHBondContact O-N 3.49Å; A184-K188 PolarHBondContact O-N 2.96Å; A184-A189 HydrophobicContact CB-CB 4.44Å; A184-A189 PolarHBondContact O-N 2.77Å; A184-F191 HydrophobicContact CB-CB 3.7Å
185E94.5Very high94.8Very high114 Ų11447.2 Ų47.253%0.53323%0.229SC..Hα-helixtrans-59.1-45.2175.1-75.5168.4-173.500111.4R181 W187 K188R181-E185 WeakPolarHBondContact CG-OE1 3.13Å; R181-E185 WeakPolarHBondContact O-CG 3.37Å; R181-E185 PolarHBondContact O-N 2.79Å; E185-W187 PolarHBondContact O-N 2.97Å; E185-K188 PolarHBondContact O-N 3.26Å
186K92.8Very high94.9Very high176 Ų17647.2 Ų47.277%0.76523%0.229SC*.Hα-helixtrans-56.6-34.7174-177.2-177.7177-175.50112K182 T183 A184K182-K186 PolarHBondContact O-N 3.03Å; T183-K186 WeakPolarHBondContact O-CB 3.24Å; T183-K186 PolarHBondContact O-N 3.42Å; A184-K186 PolarHBondContact O-N 3.28Å
187W92.1Very high94.9Very high24 Ų2450.4 Ų50.49%0.09124%0.237CC..THydrogen-bonded Turntrans-87.1-3.1179.8-61-17.2000114.1L108 V137 K138 Y141 L161 T183 A184 E185 A189L108-W187 HydrophobicContact CD1-CE3 4.46Å; L108-W187 HydrophobicContact CD1-CH2 4.46Å; L108-W187 HydrophobicContact CD1-CZ3 3.83Å; V137-W187 HydrophobicContact CB-CH2 4.48Å; V137-W187 HydrophobicContact CG2-CH2 4.24Å; K138-W187 HydrophobicContact CB-CH2 4.38Å; K138-W187 HydrophobicContact CB-CZ2 3.87Å; K138-W187 HydrophobicContact CD-CZ2 4.33Å; K138-W187 HydrophobicContact CG-CH2 4.03Å; K138-W187 HydrophobicContact CG-CZ2 3.65Å; Y141-W187 AromaticContact CD1-CD1 3.95Å; Y141-W187 HydrophobicContact CD1-CD2 4.15Å; Y141-W187 AromaticContact CD1-CE2 3.84Å; Y141-W187 HydrophobicContact CD1-CG 4.22Å; Y141-W187 HydrophobicContact CD1-CZ2 4.3Å; Y141-W187 AromaticContact CD1-NE1 3.7Å; Y141-W187 HydrophobicContact CD2-CB 4.3Å; Y141-W187 AromaticContact CD2-CD2 3.71Å; Y141-W187 HydrophobicContact CD2-CD2 3.71Å; Y141-W187 AromaticContact CD2-CE3 3.78Å; Y141-W187 HydrophobicContact CD2-CE3 3.78Å; Y141-W187 AromaticContact CD2-CG 3.96Å; Y141-W187 HydrophobicContact CD2-CG 3.96Å; Y141-W187 HydrophobicContact CD2-CZ3 4.29Å; Y141-W187 HydrophobicContact CE1-CB 4.42Å; Y141-W187 AromaticContact CE1-CD1 3.5Å; Y141-W187 VanDerWaalsContact CE1-CD1 3.5Å; Y141-W187 HydrophobicContact CE1-CD2 4.27Å; Y141-W187 AromaticContact CE1-CG 3.86Å; Y141-W187 HydrophobicContact CE1-CG 3.86Å; Y141-W187 AromaticContact CE1-NE1 3.72Å; Y141-W187 HydrophobicContact CE2-CB 3.54Å; Y141-W187 AromaticContact CE2-CD2 3.85Å; Y141-W187 HydrophobicContact CE2-CD2 3.85Å; Y141-W187 HydrophobicContact CE2-CE3 4.19Å; Y141-W187 AromaticContact CE2-CG 3.57Å; Y141-W187 HydrophobicContact CE2-CG 3.57Å; Y141-W187 AromaticContact CG-CD2 3.86Å; Y141-W187 HydrophobicContact CG-CD2 3.86Å; Y141-W187 AromaticContact CG-CE2 3.81Å; Y141-W187 HydrophobicContact CG-CE3 4.14Å; Y141-W187 HydrophobicContact CG-CG 4.26Å; Y141-W187 HydrophobicContact CG-CH2 4.35Å; Y141-W187 HydrophobicContact CG-CZ2 4.07Å; Y141-W187 HydrophobicContact CG-CZ3 4.38Å; Y141-W187 AromaticContact CZ-CD1 3.57Å; Y141-W187 AromaticContact CZ-CG 3.5Å; Y141-W187 VanDerWaalsContact CZ-CG 3.5Å; Y141-W187 PolarHBondContact OH-O 3.26Å; L161-W187 HydrophobicContact CB-CZ3 4.4Å; L161-W187 HydrophobicContact CD1-CZ3 4.09Å; L161-W187 HydrophobicContact CD2-CE3 4.46Å; L161-W187 HydrophobicContact CD2-CZ3 3.96Å; L161-W187 HydrophobicContact CG-CZ3 4.38Å; T183-W187 HydrophobicContact CG2-CD2 4.06Å; T183-W187 HydrophobicContact CG2-CE3 4.18Å; T183-W187 HydrophobicContact CG2-CH2 3.54Å; T183-W187 HydrophobicContact CG2-CZ2 3.38Å; T183-W187 HydrophobicContact CG2-CZ3 3.95Å; T183-W187 VanDerWaalsContact O-CG 3.26Å; T183-W187 PolarHBondContact O-N 3.1Å; A184-W187 CarbonylContact O-C 3.43Å; A184-W187 WeakPolarHBondContact O-CA 3.37Å; A184-W187 WeakPolarHBondContact O-CB 3.13Å; A184-W187 PolarHBondContact O-N 3.49Å; E185-W187 PolarHBondContact O-N 2.97Å; W187-A189 HydrophobicContact CB-CB 3.88Å; W187-A189 PolarHBondContact O-N 2.71Å; W187-A189 VanDerWaalsContact O-N 3.14Å
188K90.3Very high94.9Very high159 Ų15953.7 Ų53.769%0.69125%0.25SC*.THydrogen-bonded Turntrans52.628.5-167.8-53.5176.8-178.3176.30112.3A184 E185A184-K188 PolarHBondContact O-N 2.96Å; E185-K188 PolarHBondContact O-N 3.26Å
189A93Very high94.8Very high17 Ų1754 Ų5414%0.1425%0.251CS..  trans-97.3162.3-178.700000110.9I159 A184 W187I159-A189 HydrophobicContact CB-CB 4.16Å; I159-A189 HydrophobicContact CG2-CB 4.14Å; I159-A189 WeakPolarHBondContact O-CB 3.41Å; A184-A189 HydrophobicContact CB-CB 4.44Å; A184-A189 PolarHBondContact O-N 2.77Å; W187-A189 HydrophobicContact CB-CB 3.88Å; W187-A189 PolarHBondContact O-N 2.71Å; W187-A189 VanDerWaalsContact O-N 3.14Å
190S94.7Very high94.9Very high29 Ų2956.4 Ų56.420%0.20326%0.262CS..EExtended strand (participates in β ladder)trans-77152.1171.5-73.90000110.6I159 I160 L161 Q212I159-S190 PolarHBondContact O-N 3.47Å; I160-S190 CarbonylContact C-O 3.56Å; I160-S190 WeakPolarHBondContact CA-O 3.5Å; L161-S190 PolarHBondContact N-O 2.88Å; S190-Q212 VanDerWaalsContact OG-CD 3.29Å; S190-Q212 PolarHBondContact OG-NE2 3.09Å
191F97.6Very high95Very high35 Ų3559.9 Ų59.915%0.15428%0.275CS..EExtended strand (participates in β ladder)trans-123.5141.2173177.3-112.4000111.5Y110 L161 A177 R181 A184 E193 R208Y110-F191 HydrophobicContact CE1-CE2 4.26Å; Y110-F191 WeakPolarHBondContact OH-CE2 3.29Å; L161-F191 HydrophobicContact CB-CD2 4.44Å; L161-F191 HydrophobicContact CD2-CD2 4.43Å; L161-F191 HydrophobicContact CG-CD2 4.3Å; L161-F191 WeakPolarHBondContact O-CA 3.47Å; A177-F191 WeakPolarHBondContact O-CE1 3.5Å; R181-F191 HydrophobicContact CB-CD1 3.8Å; R181-F191 HydrophobicContact CB-CE1 4.1Å; R181-F191 HydrophobicContact CB-CG 4.31Å; R181-F191 HydrophobicContact CG-CD1 4.1Å; A184-F191 HydrophobicContact CB-CB 3.7Å; F191-E193 HydrophobicContact CE1-CG 4.14Å; F191-E193 HydrophobicContact CE2-CG 4.43Å; F191-E193 HydrophobicContact CZ-CG 3.63Å; F191-R208 PolarHBondContact O-NH1 3.29Å
192L97.5Very high95Very high1 Ų155.2 Ų55.21%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-148.9148.5173.4-154.673.1000111.3I160 L161 V162 G163 T194 R201 E204 L205 R208I160-L192 HydrophobicContact CD1-CB 4.29Å; L161-L192 PolarHBondContact O-N 3.33Å; V162-L192 CarbonylContact C-O 3.39Å; V162-L192 VanDerWaalsContact CA-O 3.29Å; V162-L192 WeakPolarHBondContact CA-O 3.31Å; G163-L192 PolarHBondContact N-O 2.87Å; L192-T194 HydrophobicContact CD2-CG2 3.69Å; L192-T194 HydrophobicContact CG-CG2 4.18Å; L192-R201 HydrophobicContact CD2-CB 4.1Å; L192-E204 HydrophobicContact CD1-CG 4.44Å; L192-L205 HydrophobicContact CD2-CB 3.72Å; L192-R208 VanDerWaalsContact CD1-CZ 3.41Å
193E97.6Very high95Very high16 Ų1656.6 Ų56.68%0.07526%0.26CS..EExtended strand (participates in β ladder)trans-108.7140.4160.4-64.1-165.8149.600110G163 L166 R173 F191 R201G163-E193 CarbonylContact O-C 3.6Å; G163-E193 WeakPolarHBondContact O-CA 3.36Å; L166-E193 HydrophobicContact CD1-CB 4.37Å; L166-E193 VanDerWaalsContact CD1-OE2 3.29Å; L166-E193 WeakPolarHBondContact CD1-OE2 3.12Å; L166-E193 HydrophobicContact CD2-CB 4.08Å; R173-E193 IonicContact CZ-OE1 2.83Å; R173-E193 IonicContact CZ-OE2 3.51Å; R173-E193 IonicContact NH1-OE1 2.67Å; R173-E193 PolarHBondContact NH1-OE1 3.1Å; R173-E193 IonicContact NH1-OE2 2.71Å; R173-E193 IonicContact NH2-OE1 2.66Å; R173-E193 PolarHBondContact NH2-OE1 3.25Å; R173-E193 IonicContact NH2-OE2 3.38Å; R173-E193 PolarHBondContact NH2-OE2 2.97Å; F191-E193 HydrophobicContact CE1-CG 4.14Å; F191-E193 HydrophobicContact CE2-CG 4.43Å; F191-E193 HydrophobicContact CZ-CG 3.63Å; E193-R201 WeakPolarHBondContact O-CD 3.09Å; E193-R201 PolarHBondContact O-NH1 2.86Å
194T97.1Very high95.2Very high0 Ų058.4 Ų58.40%027%0.267CS..  trans-135.2160.1-174.360.20000111.2V162 G163 N164 K165 L166 L192 R201 I202 L205V162-T194 HydrophobicContact CG1-CG2 3.89Å; V162-T194 WeakPolarHBondContact CG1-OG1 3.35Å; G163-T194 PolarHBondContact O-N 2.88Å; N164-T194 CarbonylContact C-O 3.55Å; N164-T194 WeakPolarHBondContact CA-O 3.18Å; N164-T194 PolarHBondContact OD1-O 2.69Å; N164-T194 PolarHBondContact OD1-OG1 2.71Å; K165-T194 PolarHBondContact N-O 3.38Å; L166-T194 VanDerWaalsContact CB-O 3.27Å; L166-T194 WeakPolarHBondContact CB-O 3.44Å; L166-T194 PolarHBondContact N-O 3.38Å; L166-T194 VanDerWaalsContact N-O 3.08Å; L192-T194 HydrophobicContact CD2-CG2 3.69Å; L192-T194 HydrophobicContact CG-CG2 4.18Å; T194-R201 HydrophobicContact CG2-CB 4.18Å; T194-I202 HydrophobicContact CG2-CD1 4.33Å; T194-L205 HydrophobicContact CG2-CB 4.45Å
195T95.5Very high95.3Very high4 Ų458.4 Ų58.43%0.02527%0.267CS..BIsolated β-bridgetrans-124.8119.8154.1170.80000109.6D167 K197 D198 N199 H200D167-T195 HydrophobicContact CB-CG2 4.34Å; D167-T195 VanDerWaalsContact OD1-CB 3.29Å; D167-T195 WeakPolarHBondContact OD1-CB 3.47Å; D167-T195 PolarHBondContact OD1-OG1 3.21Å; T195-K197 PolarHBondContact O-N 2.93Å; T195-K197 WeakPolarHBondContact OG1-CB 3.21Å; T195-K197 PolarHBondContact OG1-N 3.25Å; T195-K197 VanDerWaalsContact OG1-N 3.08Å; T195-D198 HydrophobicContact CG2-CB 3.72Å; T195-D198 PolarHBondContact OG1-N 3.02Å; T195-N199 CarbonylContact O-C 3.59Å; T195-N199 PolarHBondContact O-N 2.95Å; T195-H200 HydrophobicContact CG2-CB 3.42Å; T195-H200 VanDerWaalsContact CG2-CB 3.42Å; T195-H200 PolarHBondContact N-O 2.66Å; T195-H200 PolarHBondContact O-N 2.83Å
196A93.1Very high95.5Very high1 Ų153 Ų531%0.00824%0.241CC..THydrogen-bonded Turntrans-64.9-29.4169.900000112I24 Q27 F33 N164 I202I24-A196 HydrophobicContact CG1-CB 4Å; Q27-A196 VanDerWaalsContact CG-O 3.25Å; Q27-A196 WeakPolarHBondContact CG-O 3.41Å; Q27-A196 PolarHBondContact OE1-O 2.78Å; F33-A196 HydrophobicContact CD2-CB 4.2Å; F33-A196 HydrophobicContact CE2-CB 4.19Å; N164-A196 PolarHBondContact OD1-N 3.11Å; A196-I202 HydrophobicContact CB-CD1 4.37Å
197K92.3Very high95.7Very high116 Ų11647.4 Ų47.450%0.50422%0.218SC..THydrogen-bonded Turntrans-66.7-47-176.9-173-177.4177.4-175.30112F33 D167 T195F33-K197 HydrophobicContact CD1-CG 4.29Å; F33-K197 VanDerWaalsContact CD2-CA 3.48Å; F33-K197 HydrophobicContact CD2-CB 4.12Å; F33-K197 HydrophobicContact CE1-CG 4.27Å; F33-K197 HydrophobicContact CE2-CB 3.97Å; F33-K197 HydrophobicContact CG-CB 4.43Å; F33-K197 HydrophobicContact CG-CG 4.45Å; F33-K197 HydrophobicContact CZ-CB 4.18Å; F33-K197 HydrophobicContact CZ-CG 4.4Å; D167-K197 WeakPolarHBondContact OD2-CD 3.47Å; T195-K197 PolarHBondContact O-N 2.93Å; T195-K197 WeakPolarHBondContact OG1-CB 3.21Å; T195-K197 PolarHBondContact OG1-N 3.25Å; T195-K197 VanDerWaalsContact OG1-N 3.08Å
198D93.4Very high95.9Very high103 Ų10350.5 Ų50.555%0.55123%0.23SC*.THydrogen-bonded Turntrans-97.311.4-178.8-50.2-38.3000112.6T195 H200T195-D198 HydrophobicContact CG2-CB 3.72Å; T195-D198 PolarHBondContact OG1-N 3.02Å; D198-H200 PolarHBondContact O-N 3.14Å
199N95.2Very high96.3Very high63 Ų6343 Ų4334%0.33720%0.197SC..THydrogen-bonded Turntrans53.424.9-174.1-157.68.2000114.5Q27 N31 T195 R201 I202Q27-N199 HydrophobicContact CG-CB 3.97Å; Q27-N199 WeakPolarHBondContact CG-OD1 3.22Å; Q27-N199 VanDerWaalsContact NE2-CB 3.3Å; Q27-N199 PolarHBondContact NE2-ND2 2.85Å; N31-N199 PolarHBondContact OD1-ND2 3.04Å; T195-N199 CarbonylContact O-C 3.59Å; T195-N199 PolarHBondContact O-N 2.95Å; N199-R201 PolarHBondContact O-N 3.2Å; N199-I202 WeakPolarHBondContact OD1-CB 3.45Å
200H96.6Very high96.4Very high95 Ų9542.2 Ų42.244%0.4419%0.191SC..BIsolated β-bridgetrans-80.4120.5-175.7-178.8-119.7000110T195 D198 I202T195-H200 HydrophobicContact CG2-CB 3.42Å; T195-H200 VanDerWaalsContact CG2-CB 3.42Å; T195-H200 PolarHBondContact N-O 2.66Å; T195-H200 PolarHBondContact O-N 2.83Å; D198-H200 PolarHBondContact O-N 3.14Å; H200-I202 PolarHBondContact O-N 3.17Å
201R97Very high96.4Very high73 Ų7343.6 Ų43.628%0.27519%0.193SC..THydrogen-bonded Turntrans64.513.4176.6-53.6177.671.1-17621.7115.4L192 E193 T194 N199 E204 L205L192-R201 HydrophobicContact CD2-CB 4.1Å; E193-R201 WeakPolarHBondContact O-CD 3.09Å; E193-R201 PolarHBondContact O-NH1 2.86Å; T194-R201 HydrophobicContact CG2-CB 4.18Å; N199-R201 PolarHBondContact O-N 3.2Å; R201-E204 HydrophobicContact CB-CB 4.34Å; R201-E204 WeakPolarHBondContact CG-OE2 3.39Å; R201-E204 IonicContact CZ-OE1 2.76Å; R201-E204 IonicContact CZ-OE2 3.34Å; R201-E204 IonicContact NE-OE1 3.57Å; R201-E204 IonicContact NE-OE2 2.69Å; R201-E204 PolarHBondContact NE-OE2 3.49Å; R201-E204 IonicContact NH2-OE1 2.64Å; R201-E204 PolarHBondContact NH2-OE1 3.21Å; R201-E204 VanDerWaalsContact NH2-OE1 3.14Å; R201-E204 IonicContact NH2-OE2 3.1Å; R201-E204 PolarHBondContact NH2-OE2 2.98Å; R201-E204 PolarHBondContact O-N 3.38Å; R201-L205 WeakPolarHBondContact O-CB 3.36Å; R201-L205 PolarHBondContact O-N 3.18Å
202I97.8Very high96.3Very high0 Ų043 Ų430%019%0.191CC..Hα-helixtrans-65.6-43174.3-59.1-61.1000110.8I24 Q27 F28 T194 A196 N199 H200 L205 F206I24-I202 HydrophobicContact CG1-CD1 4.05Å; I24-I202 HydrophobicContact CG2-CD1 4.32Å; Q27-I202 HydrophobicContact CG-CG1 4.2Å; F28-I202 HydrophobicContact CB-CG2 3.73Å; F28-I202 HydrophobicContact CD2-CG2 4.19Å; F28-I202 HydrophobicContact CG-CG2 4.42Å; T194-I202 HydrophobicContact CG2-CD1 4.33Å; A196-I202 HydrophobicContact CB-CD1 4.37Å; N199-I202 WeakPolarHBondContact OD1-CB 3.45Å; H200-I202 PolarHBondContact O-N 3.17Å; I202-L205 WeakPolarHBondContact O-CB 3.26Å; I202-L205 PolarHBondContact O-N 2.84Å; I202-F206 HydrophobicContact CG2-CD2 4.43Å; I202-F206 HydrophobicContact CG2-CE2 4.13Å; I202-F206 VanDerWaalsContact O-CD2 3.23Å; I202-F206 WeakPolarHBondContact O-CD2 3.48Å; I202-F206 PolarHBondContact O-N 3.03Å
203R97Very high96.1Very high146 Ų14643 Ų4355%0.55119%0.191SC*.Hα-helixtrans-61.6-47.7173.8-177.3175.2-179.1139.16.1112F54 L205 F206 E207F54-R203 HydrophobicContact CE2-CG 4.06Å; F54-R203 HydrophobicContact CZ-CG 3.97Å; R203-L205 VanDerWaalsContact C-N 3.26Å; R203-L205 PolarHBondContact O-N 3.37Å; R203-F206 PolarHBondContact O-N 2.91Å; R203-F206 VanDerWaalsContact O-N 3.15Å; R203-E207 HydrophobicContact CG-CG 4.34Å; R203-E207 WeakPolarHBondContact CG-OE1 3.18Å; R203-E207 IonicContact CZ-OE1 3.78Å; R203-E207 IonicContact NE-OE1 2.9Å; R203-E207 PolarHBondContact NE-OE1 3.28Å; R203-E207 IonicContact NH2-OE1 3.82Å; R203-E207 WeakPolarHBondContact O-CG 3.44Å; R203-E207 PolarHBondContact O-N 2.85Å
204E98Very high96Very high54 Ų5442.2 Ų42.225%0.25219%0.187SC..Hα-helixtrans-58.3-37.2179.2-174.1-172.1168.800112L192 R201 F206 E207 R208L192-E204 HydrophobicContact CD1-CG 4.44Å; R201-E204 HydrophobicContact CB-CB 4.34Å; R201-E204 WeakPolarHBondContact CG-OE2 3.39Å; R201-E204 IonicContact CZ-OE1 2.76Å; R201-E204 IonicContact CZ-OE2 3.34Å; R201-E204 IonicContact NE-OE1 3.57Å; R201-E204 IonicContact NE-OE2 2.69Å; R201-E204 PolarHBondContact NE-OE2 3.49Å; R201-E204 IonicContact NH2-OE1 2.64Å; R201-E204 PolarHBondContact NH2-OE1 3.21Å; R201-E204 VanDerWaalsContact NH2-OE1 3.14Å; R201-E204 IonicContact NH2-OE2 3.1Å; R201-E204 PolarHBondContact NH2-OE2 2.98Å; R201-E204 PolarHBondContact O-N 3.38Å; E204-F206 PolarHBondContact O-N 2.96Å; E204-E207 PolarHBondContact O-N 3.24Å; E204-R208 HydrophobicContact CG-CG 4.34Å; E204-R208 WeakPolarHBondContact O-CB 3.37Å; E204-R208 VanDerWaalsContact O-CG 3.29Å; E204-R208 WeakPolarHBondContact O-CG 3.47Å; E204-R208 PolarHBondContact O-N 2.85Å; E204-R208 IonicContact OE1-CZ 2.78Å; E204-R208 IonicContact OE1-NE 3.65Å; E204-R208 PolarHBondContact OE1-NE 3.44Å; E204-R208 IonicContact OE1-NH2 3.47Å; E204-R208 PolarHBondContact OE1-NH2 2.8Å
205L98.3Very high95.7Very high0 Ų046.3 Ų46.30%021%0.205CC..Hα-helixtrans-53.1-53.4173.5167.958.6000111.6I24 V107 I160 V162 L192 T194 R201 I202 R203 R208 L209I24-L205 HydrophobicContact CG2-CD2 3.87Å; V107-L205 HydrophobicContact CG1-CD1 4.26Å; V107-L205 HydrophobicContact CG1-CD2 4.26Å; I160-L205 HydrophobicContact CB-CD1 4.36Å; I160-L205 HydrophobicContact CD1-CD1 3.65Å; I160-L205 HydrophobicContact CG1-CD1 3.89Å; I160-L205 HydrophobicContact CG2-CD1 3.55Å; V162-L205 HydrophobicContact CG1-CD2 4.48Å; V162-L205 HydrophobicContact CG2-CD1 3.35Å; V162-L205 HydrophobicContact CG2-CD2 4.12Å; V162-L205 HydrophobicContact CG2-CG 4.38Å; L192-L205 HydrophobicContact CD2-CB 3.72Å; T194-L205 HydrophobicContact CG2-CB 4.45Å; R201-L205 WeakPolarHBondContact O-CB 3.36Å; R201-L205 PolarHBondContact O-N 3.18Å; I202-L205 WeakPolarHBondContact O-CB 3.26Å; I202-L205 PolarHBondContact O-N 2.84Å; R203-L205 VanDerWaalsContact C-N 3.26Å; R203-L205 PolarHBondContact O-N 3.37Å; L205-R208 PolarHBondContact O-N 2.86Å; L205-L209 PolarHBondContact O-N 2.67Å
206F97.9Very high95.4Very high0 Ų048.9 Ų48.90%023%0.226CC..Hα-helixtrans-73.8-31-177.7-68.5-77.9000112.6I11 I13 I24 F28 L65 I202 R203 E204 L210I11-F206 HydrophobicContact CD1-CD1 4.05Å; I11-F206 HydrophobicContact CD1-CE1 4.43Å; I11-F206 HydrophobicContact CG2-CE1 4.42Å; I13-F206 HydrophobicContact CD1-CZ 4.32Å; I24-F206 HydrophobicContact CG2-CE2 4.12Å; I24-F206 HydrophobicContact CG2-CZ 4.15Å; F28-F206 HydrophobicContact CB-CD2 4.09Å; F28-F206 HydrophobicContact CB-CE2 3.51Å; F28-F206 HydrophobicContact CB-CZ 4.17Å; F28-F206 HydrophobicContact CD1-CD1 4.44Å; F28-F206 AromaticContact CD1-CD2 3.84Å; F28-F206 HydrophobicContact CD1-CD2 3.84Å; F28-F206 HydrophobicContact CD1-CE1 4.31Å; F28-F206 AromaticContact CD1-CE2 3.71Å; F28-F206 HydrophobicContact CD1-CE2 3.71Å; F28-F206 HydrophobicContact CD1-CG 4.22Å; F28-F206 AromaticContact CD1-CZ 3.94Å; F28-F206 HydrophobicContact CD1-CZ 3.94Å; F28-F206 HydrophobicContact CD2-CB 4.49Å; F28-F206 AromaticContact CD2-CD2 3.22Å; F28-F206 HydrophobicContact CD2-CD2 3.22Å; F28-F206 AromaticContact CD2-CE2 3.6Å; F28-F206 HydrophobicContact CD2-CE2 3.6Å; F28-F206 AromaticContact CD2-CG 4Å; F28-F206 HydrophobicContact CD2-CG 4Å; F28-F206 HydrophobicContact CE1-CD1 4.17Å; F28-F206 HydrophobicContact CE1-CD2 4.01Å; F28-F206 HydrophobicContact CE1-CE1 4.42Å; F28-F206 HydrophobicContact CE1-CE2 4.28Å; F28-F206 AromaticContact CE1-CG 3.96Å; F28-F206 HydrophobicContact CE1-CG 3.96Å; F28-F206 HydrophobicContact CE1-CZ 4.47Å; F28-F206 HydrophobicContact CE2-CB 3.81Å; F28-F206 AromaticContact CE2-CD2 3.42Å; F28-F206 HydrophobicContact CE2-CD2 3.42Å; F28-F206 VanDerWaalsContact CE2-CD2 3.42Å; F28-F206 HydrophobicContact CE2-CE2 4.21Å; F28-F206 AromaticContact CE2-CG 3.73Å; F28-F206 HydrophobicContact CE2-CG 3.73Å; F28-F206 AromaticContact CG-CD2 3.43Å; F28-F206 HydrophobicContact CG-CD2 3.43Å; F28-F206 VanDerWaalsContact CG-CD2 3.43Å; F28-F206 AromaticContact CG-CE2 3.3Å; F28-F206 HydrophobicContact CG-CE2 3.3Å; F28-F206 HydrophobicContact CG-CG 4.22Å; F28-F206 AromaticContact CG-CZ 3.98Å; F28-F206 HydrophobicContact CG-CZ 3.98Å; F28-F206 HydrophobicContact CZ-CB 3.82Å; F28-F206 HydrophobicContact CZ-CD1 4.31Å; F28-F206 AromaticContact CZ-CD2 3.81Å; F28-F206 HydrophobicContact CZ-CD2 3.81Å; F28-F206 AromaticContact CZ-CG 3.7Å; F28-F206 HydrophobicContact CZ-CG 3.7Å; L65-F206 HydrophobicContact CD1-CE1 3.93Å; L65-F206 HydrophobicContact CD1-CZ 3.75Å; L65-F206 HydrophobicContact CD2-CD1 4.33Å; L65-F206 HydrophobicContact CD2-CE1 3.59Å; L65-F206 HydrophobicContact CD2-CZ 4.28Å; L65-F206 HydrophobicContact CG-CE1 4.44Å; I202-F206 HydrophobicContact CG2-CD2 4.43Å; I202-F206 HydrophobicContact CG2-CE2 4.13Å; I202-F206 VanDerWaalsContact O-CD2 3.23Å; I202-F206 WeakPolarHBondContact O-CD2 3.48Å; I202-F206 PolarHBondContact O-N 3.03Å; R203-F206 PolarHBondContact O-N 2.91Å; R203-F206 VanDerWaalsContact O-N 3.15Å; E204-F206 PolarHBondContact O-N 2.96Å; F206-L210 WeakPolarHBondContact O-CB 3.28Å; F206-L210 PolarHBondContact O-N 2.86Å
207E97.7Very high95.3Very high60 Ų6053.3 Ų53.328%0.2825%0.247SC..Hα-helixtrans-64-44.4172.1-69.1174169.600111.9F54 F56 R203 E204 L210 F211F54-E207 HydrophobicContact CE1-CG 3.72Å; F54-E207 HydrophobicContact CZ-CG 3.55Å; F56-E207 HydrophobicContact CD2-CB 4.23Å; F56-E207 HydrophobicContact CD2-CG 4.14Å; F56-E207 HydrophobicContact CE2-CB 4.07Å; F56-E207 HydrophobicContact CE2-CG 4.45Å; R203-E207 HydrophobicContact CG-CG 4.34Å; R203-E207 WeakPolarHBondContact CG-OE1 3.18Å; R203-E207 IonicContact CZ-OE1 3.78Å; R203-E207 IonicContact NE-OE1 2.9Å; R203-E207 PolarHBondContact NE-OE1 3.28Å; R203-E207 IonicContact NH2-OE1 3.82Å; R203-E207 WeakPolarHBondContact O-CG 3.44Å; R203-E207 PolarHBondContact O-N 2.85Å; E204-E207 PolarHBondContact O-N 3.24Å; E207-L210 PolarHBondContact O-N 3.41Å; E207-F211 WeakPolarHBondContact O-CB 3.22Å; E207-F211 PolarHBondContact O-N 2.59Å
208R97.1Very high95.1Very high89 Ų8950.5 Ų50.534%0.33625%0.25SS..Hα-helixtrans-64.8-44177-74.6177.4178.6-137.2-2.6111.8I160 F191 L192 E204 L205 F211 Q212I160-R208 HydrophobicContact CD1-CB 3.86Å; F191-R208 PolarHBondContact O-NH1 3.29Å; L192-R208 VanDerWaalsContact CD1-CZ 3.41Å; E204-R208 HydrophobicContact CG-CG 4.34Å; E204-R208 WeakPolarHBondContact O-CB 3.37Å; E204-R208 VanDerWaalsContact O-CG 3.29Å; E204-R208 WeakPolarHBondContact O-CG 3.47Å; E204-R208 PolarHBondContact O-N 2.85Å; E204-R208 IonicContact OE1-CZ 2.78Å; E204-R208 IonicContact OE1-NE 3.65Å; E204-R208 PolarHBondContact OE1-NE 3.44Å; E204-R208 IonicContact OE1-NH2 3.47Å; E204-R208 PolarHBondContact OE1-NH2 2.8Å; L205-R208 PolarHBondContact O-N 2.86Å; R208-F211 WeakPolarHBondContact O-CB 3.48Å; R208-F211 PolarHBondContact O-N 3.07Å; R208-Q212 PolarHBondContact O-N 3.23Å
209L97.3Very high94.8Very high0 Ų049 Ų490%024%0.242CC..Hα-helixtrans-64-47.7176.9179.860.9000110.9I11 V107 P158 I160 L205 F211 Q212 V213I11-L209 HydrophobicContact CB-CD2 4.44Å; I11-L209 HydrophobicContact CD1-CD2 4.01Å; I11-L209 HydrophobicContact CG1-CD2 4.06Å; I11-L209 HydrophobicContact CG2-CD2 3.56Å; V107-L209 HydrophobicContact CG2-CD2 3.64Å; P158-L209 HydrophobicContact CB-CD1 4.2Å; I160-L209 HydrophobicContact CG2-CB 4.19Å; I160-L209 HydrophobicContact CG2-CD1 4.17Å; I160-L209 HydrophobicContact CG2-CD2 4.45Å; L205-L209 PolarHBondContact O-N 2.67Å; L209-F211 VanDerWaalsContact C-N 3.27Å; L209-F211 PolarHBondContact O-N 3.5Å; L209-Q212 WeakPolarHBondContact O-CB 3.29Å; L209-Q212 PolarHBondContact O-N 3.4Å; L209-V213 HydrophobicContact CD1-CG2 4.39Å; L209-V213 HydrophobicContact CG-CG2 4.33Å; L209-V213 WeakPolarHBondContact O-CG2 2.99Å; L209-V213 PolarHBondContact O-N 2.79Å
210L96.1Very high94.4Very high1 Ų147 Ų471%0.00523%0.231CC..Hα-helixtrans-63.3-35.4-179.1-170.158.9000111.7R9 F54 F56 Y61 L63 F206 E207 Q212 V213 E214R9-L210 HydrophobicContact CG-CD1 4.07Å; F54-L210 HydrophobicContact CD1-CD2 4.11Å; F56-L210 HydrophobicContact CB-CD2 3.5Å; F56-L210 HydrophobicContact CD1-CB 4.33Å; F56-L210 HydrophobicContact CD1-CD2 3.64Å; F56-L210 HydrophobicContact CD1-CG 3.79Å; F56-L210 HydrophobicContact CE1-CB 4.47Å; F56-L210 HydrophobicContact CE1-CG 4.25Å; F56-L210 HydrophobicContact CG-CD2 3.69Å; F56-L210 HydrophobicContact CG-CG 4.27Å; Y61-L210 HydrophobicContact CD1-CD1 3.9Å; Y61-L210 HydrophobicContact CD1-CD2 4.09Å; Y61-L210 HydrophobicContact CD2-CD2 3.71Å; Y61-L210 HydrophobicContact CE1-CD1 3.83Å; Y61-L210 HydrophobicContact CE1-CD2 4.22Å; Y61-L210 HydrophobicContact CE1-CG 4.35Å; Y61-L210 HydrophobicContact CE2-CD2 3.84Å; Y61-L210 HydrophobicContact CG-CD1 4.47Å; Y61-L210 HydrophobicContact CG-CD2 3.85Å; L63-L210 HydrophobicContact CD2-CD1 4.32Å; F206-L210 WeakPolarHBondContact O-CB 3.28Å; F206-L210 PolarHBondContact O-N 2.86Å; E207-L210 PolarHBondContact O-N 3.41Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; L210-Q212 PolarHBondContact O-N 3.28Å; L210-V213 HydrophobicContact CD1-CB 4.49Å; L210-V213 PolarHBondContact O-N 2.84Å; L210-E214 HydrophobicContact CD1-CG 4.15Å; L210-E214 HydrophobicContact CG-CG 4.28Å; L210-E214 WeakPolarHBondContact O-CB 3.4Å; L210-E214 VanDerWaalsContact O-CG 3.28Å; L210-E214 WeakPolarHBondContact O-CG 3.42Å; L210-E214 PolarHBondContact O-N 2.71Å
211F95.5Very high93.6Very high58 Ų5853 Ų5325%0.25425%0.25SS..Hα-helixtrans-55.7-47169.8-179.6-93.5000112.2F56 R57 E207 R208 L209 K215 I220F56-F211 HydrophobicContact CE1-CB 4.45Å; F56-F211 HydrophobicContact CZ-CB 3.86Å; F56-F211 HydrophobicContact CZ-CD2 4.33Å; R57-F211 VanDerWaalsContact NH2-CE2 3.25Å; E207-F211 WeakPolarHBondContact O-CB 3.22Å; E207-F211 PolarHBondContact O-N 2.59Å; R208-F211 WeakPolarHBondContact O-CB 3.48Å; R208-F211 PolarHBondContact O-N 3.07Å; L209-F211 VanDerWaalsContact C-N 3.27Å; L209-F211 PolarHBondContact O-N 3.5Å; F211-K215 HydrophobicContact CE1-CD 4.35Å; F211-K215 VanDerWaalsContact O-CB 3.28Å; F211-K215 WeakPolarHBondContact O-CB 3.03Å; F211-K215 PolarHBondContact O-N 3.31Å; F211-I220 HydrophobicContact CD2-CD1 3.9Å; F211-I220 HydrophobicContact CD2-CG2 4.13Å; F211-I220 HydrophobicContact CE2-CD1 4.37Å; F211-I220 HydrophobicContact CE2-CG2 3.53Å; F211-I220 HydrophobicContact CZ-CG2 4.05Å
212Q93.8Very high92Very high23 Ų2353.2 Ų53.211%0.10726%0.257CS..Hα-helixtrans-66.1-41.5178.4-66.5175.7-4600112.1P158 I159 S190 R208 L209 L210 K215 A216P158-Q212 HydrophobicContact CB-CB 3.92Å; I159-Q212 PolarHBondContact O-NE2 2.83Å; I159-Q212 PolarHBondContact O-OE1 3.15Å; I159-Q212 VanDerWaalsContact O-OE1 3.12Å; S190-Q212 VanDerWaalsContact OG-CD 3.29Å; S190-Q212 PolarHBondContact OG-NE2 3.09Å; R208-Q212 PolarHBondContact O-N 3.23Å; L209-Q212 WeakPolarHBondContact O-CB 3.29Å; L209-Q212 PolarHBondContact O-N 3.4Å; L210-Q212 VanDerWaalsContact C-N 3.33Å; L210-Q212 PolarHBondContact O-N 3.28Å; Q212-K215 PolarHBondContact O-N 3.32Å; Q212-A216 WeakPolarHBondContact O-CB 3.49Å; Q212-A216 PolarHBondContact O-N 2.7Å
213V94.4Very high90.1Very high1 Ų159.3 Ų59.31%0.00630%0.295CS..Hα-helixtrans-58.3-54.4175.9172.90000109.9R9 H104 P158 L209 L210 K215 A216 H217R9-V213 HydrophobicContact CG-CG1 4.48Å; H104-V213 HydrophobicContact CB-CG1 3.9Å; H104-V213 WeakPolarHBondContact O-CG2 3.41Å; P158-V213 HydrophobicContact CB-CB 4.39Å; P158-V213 HydrophobicContact CB-CG2 3.61Å; P158-V213 HydrophobicContact CG-CB 4.43Å; P158-V213 HydrophobicContact CG-CG2 4.03Å; L209-V213 HydrophobicContact CD1-CG2 4.39Å; L209-V213 HydrophobicContact CG-CG2 4.33Å; L209-V213 WeakPolarHBondContact O-CG2 2.99Å; L209-V213 PolarHBondContact O-N 2.79Å; L210-V213 HydrophobicContact CD1-CB 4.49Å; L210-V213 PolarHBondContact O-N 2.84Å; V213-K215 VanDerWaalsContact C-N 3.27Å; V213-K215 PolarHBondContact O-N 3.03Å; V213-A216 WeakPolarHBondContact O-CB 3.36Å; V213-A216 PolarHBondContact O-N 3.16Å; V213-A216 VanDerWaalsContact O-N 3.09Å; V213-H217 PolarHBondContact O-CD2 3.24Å; V213-H217 PolarHBondContact O-N 3.43Å
214E94.2Very high87.8Confident0 Ų061.5 Ų61.50%031%0.308CS..Hα-helixtrans-67.5-29.4-177.3-64.6-57.3118.600112.6R9 Y61 L210 H217 G218 N219 I220R9-E214 IonicContact CZ-OE1 3.18Å; R9-E214 IonicContact NE-OE1 3.14Å; R9-E214 PolarHBondContact NE-OE1 3.5Å; R9-E214 IonicContact NH2-OE1 2.77Å; R9-E214 PolarHBondContact NH2-OE1 3.23Å; R9-E214 IonicContact NH2-OE2 3.95Å; R9-E214 PolarHBondContact NH2-OE2 3.18Å; Y61-E214 HydrophobicContact CE1-CG 4.21Å; Y61-E214 VanDerWaalsContact OH-CD 3.28Å; Y61-E214 WeakPolarHBondContact OH-CG 3.41Å; Y61-E214 PolarHBondContact OH-OE2 3.33Å; L210-E214 HydrophobicContact CD1-CG 4.15Å; L210-E214 HydrophobicContact CG-CG 4.28Å; L210-E214 WeakPolarHBondContact O-CB 3.4Å; L210-E214 VanDerWaalsContact O-CG 3.28Å; L210-E214 WeakPolarHBondContact O-CG 3.42Å; L210-E214 PolarHBondContact O-N 2.71Å; E214-H217 PolarHBondContact O-N 3.43Å; E214-G218 PolarHBondContact O-N 2.91Å; E214-N219 HydrophobicContact CB-CB 4.14Å; E214-N219 WeakPolarHBondContact O-CA 2.96Å; E214-N219 WeakPolarHBondContact O-CB 3.47Å; E214-N219 PolarHBondContact O-N 3.25Å; E214-N219 WeakPolarHBondContact OE2-CB 3.44Å; E214-N219 PolarHBondContact OE2-ND2 3.36Å; E214-I220 HydrophobicContact CB-CB 4.5Å; E214-I220 HydrophobicContact CB-CD1 3.51Å; E214-I220 HydrophobicContact CB-CG1 3.75Å; E214-I220 HydrophobicContact CG-CD1 4.36Å; E214-I220 PolarHBondContact O-N 3.22Å
215K91.8Very high85.2Confident86 Ų8667.7 Ų67.737%0.37434%0.337SS..Hα-helixtrans-64.5-46.3169.5-177.7175.6179.4169.40111.6F211 Q212 V213 H217 G218 D222F211-K215 HydrophobicContact CE1-CD 4.35Å; F211-K215 VanDerWaalsContact O-CB 3.28Å; F211-K215 WeakPolarHBondContact O-CB 3.03Å; F211-K215 PolarHBondContact O-N 3.31Å; Q212-K215 PolarHBondContact O-N 3.32Å; V213-K215 VanDerWaalsContact C-N 3.27Å; V213-K215 PolarHBondContact O-N 3.03Å; K215-H217 PolarHBondContact O-N 2.81Å; K215-G218 PolarHBondContact O-N 2.73Å; K215-D222 WeakPolarHBondContact CE-OD1 3.43Å; K215-D222 WeakPolarHBondContact CE-OD2 3.11Å; K215-D222 IonicContact NZ-OD1 2.79Å; K215-D222 PolarHBondContact NZ-OD1 3.08Å; K215-D222 IonicContact NZ-OD2 3.62Å; K215-D222 PolarHBondContact NZ-OD2 3.33Å
216A89.5Confident82.5Confident57 Ų5772.7 Ų72.747%0.47137%0.372SS..Hα-helixtrans-63.6-31.3177.100000112.6P158 Q212 V213 G218P158-A216 HydrophobicContact CG-CB 3.83Å; Q212-A216 WeakPolarHBondContact O-CB 3.49Å; Q212-A216 PolarHBondContact O-N 2.7Å; V213-A216 WeakPolarHBondContact O-CB 3.36Å; V213-A216 PolarHBondContact O-N 3.16Å; V213-A216 VanDerWaalsContact O-N 3.09Å; A216-G218 VanDerWaalsContact C-N 3.28Å; A216-G218 PolarHBondContact O-N 3.34Å
217H89.8Confident79.7Confident95 Ų9578 Ų7844%0.4441%0.409SS..THydrogen-bonded Turntrans-81.10.7173-79.5-96.4000114.2H104 V213 E214 K215 N219H104-H217 AromaticContact CD2-CE1 3.8Å; H104-H217 AromaticContact CD2-NE2 3.49Å; H104-H217 PolarHBondContact CD2-NE2 3.47Å; V213-H217 PolarHBondContact O-CD2 3.24Å; V213-H217 PolarHBondContact O-N 3.43Å; E214-H217 PolarHBondContact O-N 3.43Å; K215-H217 PolarHBondContact O-N 2.81Å; H217-N219 PolarHBondContact O-N 2.86Å
218G88.2Confident76.6Confident56 Ų5680.6 Ų80.658%0.57743%0.432SS*.THydrogen-bonded Turntrans73.78-179.400000115.1E214 K215 A216E214-G218 PolarHBondContact O-N 2.91Å; K215-G218 PolarHBondContact O-N 2.73Å; A216-G218 VanDerWaalsContact C-N 3.28Å; A216-G218 PolarHBondContact O-N 3.34Å
219N88.6Confident74.2Confident72 Ų7283.4 Ų83.439%0.38545%0.453SS..SBendtrans-81.1-18.9-179.8-69.5-32.7000113E214 H217E214-N219 HydrophobicContact CB-CB 4.14Å; E214-N219 WeakPolarHBondContact O-CA 2.96Å; E214-N219 WeakPolarHBondContact O-CB 3.47Å; E214-N219 PolarHBondContact O-N 3.25Å; E214-N219 WeakPolarHBondContact OE2-CB 3.44Å; E214-N219 PolarHBondContact OE2-ND2 3.36Å; H217-N219 PolarHBondContact O-N 2.86Å
220I86.4Confident71.5Confident20 Ų2090.9 Ų90.910%0.10349%0.492CS..  trans-126.4124.6176.5-63.6177.8000109.1F56 R57 F211 E214F56-I220 HydrophobicContact CE1-CD1 3.88Å; R57-I220 VanDerWaalsContact NH1-CG2 3.35Å; F211-I220 HydrophobicContact CD2-CD1 3.9Å; F211-I220 HydrophobicContact CD2-CG2 4.13Å; F211-I220 HydrophobicContact CE2-CD1 4.37Å; F211-I220 HydrophobicContact CE2-CG2 3.53Å; F211-I220 HydrophobicContact CZ-CG2 4.05Å; E214-I220 HydrophobicContact CB-CB 4.5Å; E214-I220 HydrophobicContact CB-CD1 3.51Å; E214-I220 HydrophobicContact CB-CG1 3.75Å; E214-I220 HydrophobicContact CG-CD1 4.36Å; E214-I220 PolarHBondContact O-N 3.22Å
221R79.1Confident69.5Low221 Ų22199.9 Ų99.983%0.83456%0.555SS**  trans-93.2147.7169.2-61-176.9-178.4179.6-0.7109.5T223R221-T223 PolarHBondContact O-N 3.12Å
222D64.5Low68.2Low78 Ų78102 Ų10242%0.41757%0.57SS.*  trans-63.5127.2170.2-77.2-28.7000108.7K215 K224K215-D222 WeakPolarHBondContact CE-OD1 3.43Å; K215-D222 WeakPolarHBondContact CE-OD2 3.11Å; K215-D222 IonicContact NZ-OD1 2.79Å; K215-D222 PolarHBondContact NZ-OD1 3.08Å; K215-D222 IonicContact NZ-OD2 3.62Å; K215-D222 PolarHBondContact NZ-OD2 3.33Å; D222-K224 PolarHBondContact O-N 2.87Å
223T56.5Low66.9Low129 Ų129106.1 Ų106.179%0.79159%0.594SS**G310 helixtrans-68.72.7171.138.90000113R221 E225R221-T223 PolarHBondContact O-N 3.12Å; T223-E225 VanDerWaalsContact C-N 3.29Å; T223-E225 PolarHBondContact O-N 3.11Å
224K49.4Very low65.4Low191 Ų191111.9 Ų111.983%0.8363%0.627SS**G310 helixtrans-78.2-3.8177.6-79.3-167.4174.4-174.60114.8D222D222-K224 PolarHBondContact O-N 2.87Å
225E43.7Very low63.7Low184 Ų184118.5 Ų118.586%0.8666%0.663SS**G310 helixtrans-89.37.1172-86.6-178.2166.500115T223T223-E225 VanDerWaalsContact C-N 3.29Å; T223-E225 PolarHBondContact O-N 3.11Å
226S40.9Very low61.9Low106 Ų106120.6 Ų120.674%0.74168%0.681SS**G310 helixtrans-102.714.6176-55.40000115.6
227S40.5Very low60.1Low110 Ų110124.8 Ų124.877%0.76970%0.696SS**SBendtrans-130.724.4175.694.70000116.6
228C32Very low57.9Low115 Ų115126.9 Ų126.978%0.77771%0.714SS**  trans-126.366.4159.5-150.10000109.1L230C228-L230 PolarHBondContact O-N 3.3Å
229I47.1Very low55.6Low149 Ų149132.4 Ų132.476%0.76472%0.724SS**  trans-78.3108.1154.5-55.2176.5000104.2S231I229-S231 PolarHBondContact O-N 3.16Å
230L39.9Very low52.9Low157 Ų157137.4 Ų137.482%0.82275%0.753SS**  trans-46.8123167.5-72.3155.6000108.9C228C228-L230 PolarHBondContact O-N 3.3Å
231S54.7Low49.8Very low189 Ų189148.1 Ų148.1100%1.32281%0.812SS**  trans-113.20157.6-480000107.1I229I229-S231 PolarHBondContact O-N 3.16Å

Retrieved 231 of 231 residues in 48.7 ms (Link to these results)

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