A0A087YNP5_POEFO Loading...

Family with sequence similarity 50 member A

AlphaFold DB , UniProt , Accession A0A087YNP5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 343 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.2Very low54Low243 Ų243124 Ų124100%1.19770%0.703SS**  0106.10-78178.9173.300108.3
2A45.4Very low55.8Low106 Ų106116.8 Ų116.888%0.87668%0.677SS**  trans-94.8116.4175.100000108.6
3Q50.3Low57.3Low171 Ų171122.1 Ų122.180%0.79968%0.679SS**  trans-80.5122.6178.2-77.5176.6-20.800110.4K5Q3-K5 PolarHBondContact O-N 3.31Å
4Y49.4Very low58.5Low195 Ų195116.6 Ų116.677%0.76566%0.657SS**  trans-69.7109.1173.7-177.1-102.5000110.3
5K52.5Low59.8Low186 Ų186118.3 Ų118.381%0.80966%0.66SS**  trans-10023.1178.5-71.2-171.8175.4-178.30113.6Q3Q3-K5 PolarHBondContact O-N 3.31Å
6G54.5Low61.2Low22 Ų22120.3 Ų120.323%0.22766%0.662CS.*  trans-77.9-27-172.400000116A8 S9 E10G6-A8 PolarHBondContact O-N 3.45Å; G6-S9 PolarHBondContact O-N 3.48Å; G6-E10 PolarHBondContact O-N 3.33Å
7A57Low62.6Low74 Ų74118.5 Ų118.561%0.61265%0.651SS**Hα-helixtrans-68.7-30.6-167.100000114.9A11A7-A11 PolarHBondContact O-N 3.43Å
8A59.3Low63.7Low85 Ų85118.6 Ų118.670%0.70265%0.648SS**Hα-helixtrans-78.6-31.8-177.300000113.3G6G6-A8 PolarHBondContact O-N 3.45Å
9S59.2Low65.1Low96 Ų96119.4 Ų119.467%0.67165%0.645SS**Hα-helixtrans-76.7-37.8180-178.30000112.1G6 G12 R13G6-S9 PolarHBondContact O-N 3.48Å; S9-G12 PolarHBondContact O-N 3.01Å; S9-R13 PolarHBondContact O-N 2.94Å
10E60.6Low66.2Low128 Ų128119.9 Ų119.960%0.59864%0.64SS**Hα-helixtrans-68.4-33.6175.5-74.5-174.8141.400112.8G6 G12 R13 A14G6-E10 PolarHBondContact O-N 3.33Å; E10-G12 PolarHBondContact O-N 3.48Å; E10-R13 PolarHBondContact O-N 3.34Å; E10-A14 WeakPolarHBondContact O-CB 3.47Å; E10-A14 PolarHBondContact O-N 3.04Å
11A67Low67.3Low58 Ų58121.2 Ų121.248%0.47964%0.637SS.*Hα-helixtrans-62.8-40.2176.400000112.7A7 A14 M15A7-A11 PolarHBondContact O-N 3.43Å; A11-A14 PolarHBondContact O-N 3.35Å; A11-M15 PolarHBondContact O-N 3.36Å
12G75.4Confident69.7Low38 Ų38116 Ų11639%0.39261%0.609SS.*Hα-helixtrans-65.3-42.3175.800000112.6S9 E10 A14 M15 Q16S9-G12 PolarHBondContact O-N 3.01Å; E10-G12 PolarHBondContact O-N 3.48Å; G12-A14 PolarHBondContact O-N 3.48Å; G12-M15 PolarHBondContact O-N 3.5Å; G12-Q16 PolarHBondContact O-N 3.42Å
13R74.8Confident71.8Confident185 Ų185116.8 Ų116.870%0.69859%0.593SS**Hα-helixtrans-64.4-40175.9-170.2177179.31800112S9 E10 Q16 L17S9-R13 PolarHBondContact O-N 2.94Å; E10-R13 PolarHBondContact O-N 3.34Å; R13-Q16 PolarHBondContact O-N 3.37Å; R13-L17 HydrophobicContact CG-CD1 4.44Å; R13-L17 WeakPolarHBondContact O-CG 3.37Å; R13-L17 PolarHBondContact O-N 3.49Å; R13-L17 VanDerWaalsContact O-N 3.09Å
14A74.6Confident73.5Confident45 Ų45113.1 Ų113.137%0.37258%0.576SS.*Hα-helixtrans-63.6-43.1175.800000112E10 A11 G12 Q16 L17 M18E10-A14 WeakPolarHBondContact O-CB 3.47Å; E10-A14 PolarHBondContact O-N 3.04Å; A11-A14 PolarHBondContact O-N 3.35Å; G12-A14 PolarHBondContact O-N 3.48Å; A14-Q16 PolarHBondContact O-N 3.47Å; A14-L17 PolarHBondContact O-N 3.04Å; A14-M18 WeakPolarHBondContact O-CG 3.44Å; A14-M18 PolarHBondContact O-N 3.24Å
15M78.7Confident75.5Confident143 Ų143113.1 Ų113.170%0.70457%0.574SS**Hα-helixtrans-63.4-40.5177.1-170-172.3-73.800111.9A11 G12 L17 M18 K19A11-M15 PolarHBondContact O-N 3.36Å; G12-M15 PolarHBondContact O-N 3.5Å; M15-L17 PolarHBondContact O-N 3.09Å; M15-M18 PolarHBondContact O-N 2.91Å; M15-K19 WeakPolarHBondContact O-CB 3.5Å; M15-K19 PolarHBondContact O-N 3.3Å
16Q80.9Confident77.4Confident149 Ų149109.4 Ų109.470%0.69656%0.56SS**Hα-helixtrans-67.9-35.9179.3-151.8160.28.400112.2G12 R13 A14 K20G12-Q16 PolarHBondContact O-N 3.42Å; R13-Q16 PolarHBondContact O-N 3.37Å; A14-Q16 PolarHBondContact O-N 3.47Å; Q16-K20 WeakPolarHBondContact O-CB 3.28Å; Q16-K20 PolarHBondContact O-N 3.21Å
17L85.3Confident79.1Confident91 Ų91114 Ų11448%0.47658%0.575SS.*Hα-helixtrans-70.6-30.9172.6-71.9170.6000113.2R13 A14 M15 R21R13-L17 HydrophobicContact CG-CD1 4.44Å; R13-L17 WeakPolarHBondContact O-CG 3.37Å; R13-L17 PolarHBondContact O-N 3.49Å; R13-L17 VanDerWaalsContact O-N 3.09Å; A14-L17 PolarHBondContact O-N 3.04Å; M15-L17 PolarHBondContact O-N 3.09Å; L17-R21 PolarHBondContact O-N 3.42Å; L17-R21 PolarHBondContact O-NE 3Å
18M82.6Confident80.7Confident120 Ų120116.1 Ų116.159%0.59158%0.576SS**Hα-helixtrans-70.1-46.5171.6-71.4-159.1-153.600111.3A14 M15 K20 R21 E22A14-M18 WeakPolarHBondContact O-CG 3.44Å; A14-M18 PolarHBondContact O-N 3.24Å; M15-M18 PolarHBondContact O-N 2.91Å; M18-K20 VanDerWaalsContact C-N 3.26Å; M18-K20 PolarHBondContact O-N 3.44Å; M18-R21 PolarHBondContact O-N 3.11Å; M18-R21 VanDerWaalsContact O-N 3.11Å; M18-E22 PolarHBondContact O-N 3.19Å
19K90.1Very high82.2Confident134 Ų134117.9 Ų117.958%0.58357%0.57SS**Hα-helixtrans-60.8-34.9177.4-168.9171.6-173.7172.70112.5M15 K23M15-K19 WeakPolarHBondContact O-CB 3.5Å; M15-K19 PolarHBondContact O-N 3.3Å; K19-K23 PolarHBondContact O-N 2.92Å; K19-K23 VanDerWaalsContact O-N 3.16Å
20K87.9Confident83.8Confident128 Ų128118 Ų11856%0.55756%0.559SS**Hα-helixtrans-67-44.6173.8-168.8176.1178.4-177.60112Q16 M18 E22 K23 E24Q16-K20 WeakPolarHBondContact O-CB 3.28Å; Q16-K20 PolarHBondContact O-N 3.21Å; M18-K20 VanDerWaalsContact C-N 3.26Å; M18-K20 PolarHBondContact O-N 3.44Å; K20-E22 VanDerWaalsContact C-N 3.31Å; K20-E22 PolarHBondContact O-N 3Å; K20-K23 PolarHBondContact O-N 3.23Å; K20-E24 VanDerWaalsContact CE-OE1 3.28Å; K20-E24 WeakPolarHBondContact CE-OE1 3.48Å; K20-E24 WeakPolarHBondContact O-CG 3.43Å; K20-E24 PolarHBondContact O-N 3.02Å
21R89.4Confident85Confident149 Ų149116.7 Ų116.756%0.56256%0.556SS**Hα-helixtrans-63.2-35.9175.6-82.8-178-86.6163.9-11.7113L17 M18 R25L17-R21 PolarHBondContact O-N 3.42Å; L17-R21 PolarHBondContact O-NE 3Å; M18-R21 PolarHBondContact O-N 3.11Å; M18-R21 VanDerWaalsContact O-N 3.11Å; R21-R25 WeakPolarHBondContact O-CG 3.41Å; R21-R25 PolarHBondContact O-N 3.16Å
22E88.4Confident86.3Confident134 Ų134121.7 Ų121.763%0.62657%0.567SS**Hα-helixtrans-66.5-47.1176.9-170.8172.3-150.900111.5M18 K20 E24 R25 E26M18-E22 PolarHBondContact O-N 3.19Å; K20-E22 VanDerWaalsContact C-N 3.31Å; K20-E22 PolarHBondContact O-N 3Å; E22-E24 VanDerWaalsContact C-N 3.33Å; E22-E24 PolarHBondContact O-N 3.41Å; E22-R25 PolarHBondContact O-N 3.38Å; E22-E26 PolarHBondContact O-N 3.27Å
23K90.4Very high86.9Confident122 Ų122125.3 Ų125.353%0.5357%0.573SS.*Hα-helixtrans-60-41.1173.7-77-173.1174.4-169.60112.9K19 K20 E26 Q27K19-K23 PolarHBondContact O-N 2.92Å; K19-K23 VanDerWaalsContact O-N 3.16Å; K20-K23 PolarHBondContact O-N 3.23Å; K23-E26 PolarHBondContact O-N 3.04Å; K23-Q27 WeakPolarHBondContact O-CB 3.43Å; K23-Q27 VanDerWaalsContact O-CG 3.3Å; K23-Q27 WeakPolarHBondContact O-CG 3.4Å; K23-Q27 PolarHBondContact O-N 2.9Å
24E86.4Confident87.6Confident93 Ų93123 Ų12344%0.43557%0.568SS.*Hα-helixtrans-65.5-37.6177-75.1170.9-171.800111.8K20 E22 L28K20-E24 VanDerWaalsContact CE-OE1 3.28Å; K20-E24 WeakPolarHBondContact CE-OE1 3.48Å; K20-E24 WeakPolarHBondContact O-CG 3.43Å; K20-E24 PolarHBondContact O-N 3.02Å; E22-E24 VanDerWaalsContact C-N 3.33Å; E22-E24 PolarHBondContact O-N 3.41Å; E24-L28 WeakPolarHBondContact O-CB 3.34Å; E24-L28 PolarHBondContact O-N 3.39Å
25R89.9Confident88.1Confident196 Ų196125.5 Ų125.574%0.7458%0.575SS**Hα-helixtrans-65.7-43.6173-78.2-176.796.6-161.27.2112.1R21 E22 L28 E29R21-R25 WeakPolarHBondContact O-CG 3.41Å; R21-R25 PolarHBondContact O-N 3.16Å; E22-R25 PolarHBondContact O-N 3.38Å; R25-L28 PolarHBondContact O-N 2.93Å; R25-E29 WeakPolarHBondContact O-CB 3.3Å; R25-E29 PolarHBondContact O-N 2.9Å
26E92.6Very high88.3Confident108 Ų108121.3 Ų121.351%0.50556%0.563SS.*Hα-helixtrans-63.3-42.6179.1-169-179.7-175.500111.3E22 K23 L28 E29 Q30E22-E26 PolarHBondContact O-N 3.27Å; K23-E26 PolarHBondContact O-N 3.04Å; E26-L28 PolarHBondContact O-N 3.28Å; E26-E29 PolarHBondContact O-N 3.48Å; E26-Q30 WeakPolarHBondContact O-CG 3.47Å; E26-Q30 PolarHBondContact O-N 3.45Å
27Q90.2Very high88.3Confident118 Ų118120.1 Ų120.155%0.55156%0.557SS**Hα-helixtrans-63.1-41.3174.4-73.8178.2-4.100112.3K23 E29 Q30 L31K23-Q27 WeakPolarHBondContact O-CB 3.43Å; K23-Q27 VanDerWaalsContact O-CG 3.3Å; K23-Q27 WeakPolarHBondContact O-CG 3.4Å; K23-Q27 PolarHBondContact O-N 2.9Å; Q27-E29 VanDerWaalsContact C-N 3.34Å; Q27-Q30 PolarHBondContact O-N 2.95Å; Q27-L31 WeakPolarHBondContact O-CB 3.3Å; Q27-L31 PolarHBondContact O-N 3.39Å
28L90.8Very high87.9Confident118 Ų118120.5 Ų120.562%0.61856%0.56SS**Hα-helixtrans-63.9-38.7175.1-90.8165.7000112.3E24 R25 E26 L31 K32E24-L28 WeakPolarHBondContact O-CB 3.34Å; E24-L28 PolarHBondContact O-N 3.39Å; R25-L28 PolarHBondContact O-N 2.93Å; E26-L28 PolarHBondContact O-N 3.28Å; L28-L31 PolarHBondContact O-N 2.9Å; L28-K32 VanDerWaalsContact O-CB 3.3Å; L28-K32 WeakPolarHBondContact O-CB 3.46Å; L28-K32 PolarHBondContact O-N 2.93Å
29E91Very high87.6Confident123 Ų123119.4 Ų119.458%0.57556%0.556SS**Hα-helixtrans-68.4-41.9177.9-170.2163.6-159.100111.6R25 E26 Q27 K32 Q33R25-E29 WeakPolarHBondContact O-CB 3.3Å; R25-E29 PolarHBondContact O-N 2.9Å; E26-E29 PolarHBondContact O-N 3.48Å; Q27-E29 VanDerWaalsContact C-N 3.34Å; E29-K32 PolarHBondContact O-N 2.95Å; E29-Q33 PolarHBondContact O-N 3.3Å
30Q92.2Very high86.7Confident98 Ų98119 Ų11946%0.45856%0.558SS.*Hα-helixtrans-63.2-42.2173.4-71176.49.500112.3E26 Q27 Q33 K34E26-Q30 WeakPolarHBondContact O-CG 3.47Å; E26-Q30 PolarHBondContact O-N 3.45Å; Q27-Q30 PolarHBondContact O-N 2.95Å; Q30-Q33 PolarHBondContact O-N 3.49Å; Q30-K34 PolarHBondContact O-N 3.28Å
31L87.3Confident85.6Confident101 Ų101116.9 Ų116.953%0.52956%0.556SS.*Hα-helixtrans-62.9-42174.2-89154.9000111.5Q27 L28 K34 I35Q27-L31 WeakPolarHBondContact O-CB 3.3Å; Q27-L31 PolarHBondContact O-N 3.39Å; L28-L31 PolarHBondContact O-N 2.9Å; L31-K34 PolarHBondContact O-N 3.49Å; L31-I35 VanDerWaalsContact O-CG1 3.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.41Å; L31-I35 PolarHBondContact O-N 3.02Å
32K93.1Very high84.5Confident163 Ų163116.5 Ų116.571%0.70956%0.558SS**Hα-helixtrans-64.4-40.4177.1-171.6-179178.3-1740111.8L28 E29 I35 A36L28-K32 VanDerWaalsContact O-CB 3.3Å; L28-K32 WeakPolarHBondContact O-CB 3.46Å; L28-K32 PolarHBondContact O-N 2.93Å; E29-K32 PolarHBondContact O-N 2.95Å; K32-I35 PolarHBondContact O-N 3.48Å; K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 3.42Å
33Q89.3Confident83.3Confident113 Ų113113.3 Ų113.353%0.52855%0.551SS.*Hα-helixtrans-63.6-47.3174.1-78.4-178.5-1.600111.6E29 Q30 I35 A36 E37E29-Q33 PolarHBondContact O-N 3.3Å; Q30-Q33 PolarHBondContact O-N 3.49Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 PolarHBondContact O-N 3.01Å; Q33-A36 WeakPolarHBondContact O-CB 3.42Å; Q33-A36 PolarHBondContact O-N 3.09Å; Q33-A36 VanDerWaalsContact O-N 3.09Å; Q33-E37 WeakPolarHBondContact O-CG 3.4Å; Q33-E37 PolarHBondContact O-N 2.95Å
34K88.6Confident81.9Confident136 Ų136110.8 Ų110.859%0.59154%0.543SS*.Hα-helixtrans-58-43.4175.7-77.2-177.1178.5179.90112.8Q30 L31 A36 E37 D38Q30-K34 PolarHBondContact O-N 3.28Å; L31-K34 PolarHBondContact O-N 3.49Å; K34-A36 VanDerWaalsContact C-N 3.3Å; K34-A36 PolarHBondContact O-N 3.09Å; K34-E37 PolarHBondContact O-N 3.37Å; K34-D38 WeakPolarHBondContact O-CB 3.46Å; K34-D38 PolarHBondContact O-N 3.37Å
35I84.4Confident80.8Confident98 Ų98110.3 Ų110.350%0.50354%0.542SS..Hα-helixtrans-64.8-35.5177.2-68.5165.7000111.6L31 K32 Q33 N39L31-I35 VanDerWaalsContact O-CG1 3.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.41Å; L31-I35 PolarHBondContact O-N 3.02Å; K32-I35 PolarHBondContact O-N 3.48Å; Q33-I35 VanDerWaalsContact C-N 3.34Å; Q33-I35 PolarHBondContact O-N 3.01Å; I35-N39 WeakPolarHBondContact O-CB 3.38Å; I35-N39 PolarHBondContact O-N 3.37Å; I35-N39 VanDerWaalsContact O-N 3.09Å; I35-N39 PolarHBondContact O-ND2 3.04Å
36A83.7Confident79.3Confident55 Ų55106.8 Ų106.846%0.45554%0.538SS..Hα-helixtrans-69.4-42.5176.200000111.7K32 Q33 K34 N39 M40K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 3.42Å; Q33-A36 WeakPolarHBondContact O-CB 3.42Å; Q33-A36 PolarHBondContact O-N 3.09Å; Q33-A36 VanDerWaalsContact O-N 3.09Å; K34-A36 VanDerWaalsContact C-N 3.3Å; K34-A36 PolarHBondContact O-N 3.09Å; A36-N39 PolarHBondContact O-N 3Å; A36-M40 PolarHBondContact O-N 3.5Å
37E81Confident77.8Confident124 Ų124108.6 Ų108.658%0.57955%0.545SS*.Hα-helixtrans-62.5-47.8175.2-72.4177.8176.400111.5Q33 K34 N39 M40 V41Q33-E37 WeakPolarHBondContact O-CG 3.4Å; Q33-E37 PolarHBondContact O-N 2.95Å; K34-E37 PolarHBondContact O-N 3.37Å; E37-N39 VanDerWaalsContact C-N 3.32Å; E37-N39 PolarHBondContact O-N 3.34Å; E37-M40 PolarHBondContact O-N 3.44Å; E37-M40 VanDerWaalsContact O-N 3.17Å; E37-V41 WeakPolarHBondContact O-CG2 3.37Å; E37-V41 PolarHBondContact O-N 3.05Å
38D75.8Confident76.5Confident100 Ų100109.7 Ų109.754%0.53555%0.547SS..Hα-helixtrans-61.6-38.8178-79.5-12.6000112.3K34 V41 K42K34-D38 WeakPolarHBondContact O-CB 3.46Å; K34-D38 PolarHBondContact O-N 3.37Å; D38-V41 PolarHBondContact O-N 3.22Å; D38-K42 WeakPolarHBondContact O-CG 3.26Å; D38-K42 PolarHBondContact O-N 2.97Å
39N76.3Confident74.8Confident96 Ų96111.8 Ų111.851%0.51355%0.552SS.*Hα-helixtrans-69.5-37.8175.1-85.8-51.2000112.5I35 A36 E37 V41 K42 S43I35-N39 WeakPolarHBondContact O-CB 3.38Å; I35-N39 PolarHBondContact O-N 3.37Å; I35-N39 VanDerWaalsContact O-N 3.09Å; I35-N39 PolarHBondContact O-ND2 3.04Å; A36-N39 PolarHBondContact O-N 3Å; E37-N39 VanDerWaalsContact C-N 3.32Å; E37-N39 PolarHBondContact O-N 3.34Å; N39-V41 VanDerWaalsContact C-N 3.35Å; N39-K42 PolarHBondContact O-N 2.91Å; N39-S43 WeakPolarHBondContact O-CB 3.48Å; N39-S43 PolarHBondContact O-N 2.97Å; N39-S43 PolarHBondContact O-OG 3.39Å
40M71.1Confident73.2Confident126 Ų126109.9 Ų109.962%0.62155%0.552SS**Hα-helixtrans-63.4-41172.8-83.8-171.96700111.7A36 E37 S43 N44A36-M40 PolarHBondContact O-N 3.5Å; E37-M40 PolarHBondContact O-N 3.44Å; E37-M40 VanDerWaalsContact O-N 3.17Å; M40-S43 PolarHBondContact O-OG 3.42Å; M40-N44 WeakPolarHBondContact O-CB 3.46Å; M40-N44 PolarHBondContact O-N 2.95Å; M40-N44 PolarHBondContact O-ND2 2.93Å; M40-N44 VanDerWaalsContact O-ND2 3.13Å
41V66.7Low71.6Confident84 Ų84108.2 Ų108.251%0.50956%0.555SS.*Hα-helixtrans-64.5-43.7176.7174.20000110.9E37 D38 N39 N44 I45E37-V41 WeakPolarHBondContact O-CG2 3.37Å; E37-V41 PolarHBondContact O-N 3.05Å; D38-V41 PolarHBondContact O-N 3.22Å; N39-V41 VanDerWaalsContact C-N 3.35Å; V41-N44 PolarHBondContact O-N 3.03Å; V41-I45 WeakPolarHBondContact O-CG1 3.49Å
42K65.1Low70.2Confident140 Ų140107.7 Ų107.761%0.60955%0.55SS**Hα-helixtrans-62.5-44.6177-74.9175.8-177.8178.10112.8D38 N39 N44 I45D38-K42 WeakPolarHBondContact O-CG 3.26Å; D38-K42 PolarHBondContact O-N 2.97Å; N39-K42 PolarHBondContact O-N 2.91Å; K42-N44 PolarHBondContact O-N 3.29Å; K42-I45 PolarHBondContact O-N 3.48Å; K42-I45 VanDerWaalsContact O-N 3.17Å
43S63.9Low68.6Low68 Ų68107.9 Ų107.948%0.47655%0.547SS..Hα-helixtrans-67.7-18.2177.468.50000114.4N39 M40N39-S43 WeakPolarHBondContact O-CB 3.48Å; N39-S43 PolarHBondContact O-N 2.97Å; N39-S43 PolarHBondContact O-OG 3.39Å; M40-S43 PolarHBondContact O-OG 3.42Å
44N60.6Low67.6Low69 Ų69107.8 Ų107.837%0.36955%0.55SS.*Hα-helixtrans-85.6-9.3175.5-84.7-38.5000113.6M40 V41 K42 K48M40-N44 WeakPolarHBondContact O-CB 3.46Å; M40-N44 PolarHBondContact O-N 2.95Å; M40-N44 PolarHBondContact O-ND2 2.93Å; M40-N44 VanDerWaalsContact O-ND2 3.13Å; V41-N44 PolarHBondContact O-N 3.03Å; K42-N44 PolarHBondContact O-N 3.29Å; N44-K48 WeakPolarHBondContact O-CD 3.31Å; N44-K48 WeakPolarHBondContact O-CG 3.47Å; N44-K48 PolarHBondContact O-N 3.47Å
45I63.3Low66.6Low82 Ų82103.9 Ų103.942%0.42154%0.544SS..Hα-helixtrans-71.2-46.5-179.9-64.6171.6000110V41 K42 K47 K48 F49V41-I45 WeakPolarHBondContact O-CG1 3.49Å; K42-I45 PolarHBondContact O-N 3.48Å; K42-I45 VanDerWaalsContact O-N 3.17Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 3.32Å; I45-K48 PolarHBondContact O-N 2.92Å; I45-F49 HydrophobicContact CG2-CE2 3.96Å; I45-F49 WeakPolarHBondContact O-CD2 3.26Å
46D58.8Low65.9Low122 Ų122100.6 Ų100.665%0.65253%0.528SS*.Hα-helixtrans-62.6-38.7179.1-67.3-46.6000112.4K48 S50D46-K48 VanDerWaalsContact C-N 3.34Å; D46-K48 PolarHBondContact O-N 3.36Å; D46-S50 PolarHBondContact O-OG 3.38Å
47K61.7Low65.5Low147 Ų147101.1 Ų101.164%0.63952%0.521SS*.Hα-helixtrans-72.2-23.7178.7-69.3-177.2-179.41770114I45 F49 A51I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 3.32Å; K47-F49 VanDerWaalsContact C-N 3.32Å; K47-F49 PolarHBondContact O-N 3.45Å; K47-A51 VanDerWaalsContact O-CB 3.25Å; K47-A51 WeakPolarHBondContact O-CB 3.42Å; K47-A51 PolarHBondContact O-N 2.91Å
48K61.1Low65.4Low140 Ų14097.7 Ų97.761%0.60951%0.514SS*.Hα-helixtrans-69.4-29.3179.3-82.7169.4-175.3-178.80112.7N44 I45 D46N44-K48 WeakPolarHBondContact O-CD 3.31Å; N44-K48 WeakPolarHBondContact O-CG 3.47Å; N44-K48 PolarHBondContact O-N 3.47Å; I45-K48 PolarHBondContact O-N 2.92Å; D46-K48 VanDerWaalsContact C-N 3.34Å; D46-K48 PolarHBondContact O-N 3.36Å
49F55.3Low65.4Low162 Ų16298 Ų9871%0.71151%0.512SS*.Hα-helixtrans-88-38.2179.5-64.8-75.3000112.2I45 K47I45-F49 HydrophobicContact CG2-CE2 3.96Å; I45-F49 WeakPolarHBondContact O-CD2 3.26Å; K47-F49 VanDerWaalsContact C-N 3.32Å; K47-F49 PolarHBondContact O-N 3.45Å
50S58Low65.5Low84 Ų8494.8 Ų94.859%0.58750%0.495SS*.Hα-helixtrans-75.5-38.7-178.6-46.80000113.7D46 H52 Y53 D54D46-S50 PolarHBondContact O-OG 3.38Å; S50-H52 PolarHBondContact O-N 2.89Å; S50-Y53 PolarHBondContact O-N 2.98Å; S50-D54 PolarHBondContact O-N 3.25Å
51A59.1Low65.9Low63 Ų6394.5 Ų94.552%0.52149%0.491SS..Hα-helixtrans-68.3-20.4-179.300000113.1K47 A55K47-A51 VanDerWaalsContact O-CB 3.25Å; K47-A51 WeakPolarHBondContact O-CB 3.42Å; K47-A51 PolarHBondContact O-N 2.91Å; A51-A55 PolarHBondContact O-N 2.98Å
52H58.4Low66.5Low90 Ų9094.5 Ų94.542%0.41749%0.494SS..Hα-helixtrans-71.7-40.3179.3-169.4-74.1000112.1S50 R84S50-H52 PolarHBondContact O-N 2.89Å; H52-R84 PolarHBondContact CD2-NH2 3.43Å; H52-R84 PolarHBondContact CE1-NH1 3.35Å; H52-R84 VanDerWaalsContact CE1-NH1 3.28Å; H52-R84 PolarHBondContact ND1-NH1 2.94Å; H52-R84 PolarHBondContact NE2-NE 3.14Å; H52-R84 PolarHBondContact NE2-NH1 3.11Å; H52-R84 PolarHBondContact O-NH1 3.32Å
53Y58.3Low67Low166 Ų16690.2 Ų90.265%0.65148%0.482SS*.Hα-helixtrans-77.2-43.9-178.6-164.4-99000111.3S50 A55 V56 E57S50-Y53 PolarHBondContact O-N 2.98Å; Y53-A55 PolarHBondContact O-N 3.44Å; Y53-V56 PolarHBondContact O-N 2.9Å; Y53-E57 VanDerWaalsContact CE1-OE2 3.29Å; Y53-E57 WeakPolarHBondContact CE1-OE2 3.4Å; Y53-E57 WeakPolarHBondContact O-CB 3.44Å; Y53-E57 PolarHBondContact O-N 3.17Å
54D67.9Low67.3Low111 Ų11188.6 Ų88.659%0.59447%0.469SS*.Hα-helixtrans-66.4-36.9-173.7-155.619.6000112.9S50 A58S50-D54 PolarHBondContact O-N 3.25Å; D54-A58 VanDerWaalsContact O-CB 3.24Å; D54-A58 WeakPolarHBondContact O-CB 3.46Å; D54-A58 PolarHBondContact O-N 3Å
55A68.6Low68.2Low55 Ų5591.4 Ų91.446%0.45549%0.489SS..Hα-helixtrans-68.4-41.4177.700000113A51 Y53 E59A51-A55 PolarHBondContact O-N 2.98Å; Y53-A55 PolarHBondContact O-N 3.44Å; A55-E59 PolarHBondContact O-N 2.9Å; A55-E59 VanDerWaalsContact O-N 3.16Å
56V68.8Low69Low29 Ų2990.3 Ų90.318%0.17650%0.497CS..Hα-helixtrans-67.8-42.3178164.30000110.2Y53 E59 L60 L80Y53-V56 PolarHBondContact O-N 2.9Å; V56-E59 PolarHBondContact O-N 3.13Å; V56-L60 HydrophobicContact CG1-CD1 3.66Å; V56-L60 WeakPolarHBondContact O-CB 3.48Å; V56-L60 WeakPolarHBondContact O-CD1 3.35Å; V56-L60 WeakPolarHBondContact O-CG 3.5Å; V56-L60 PolarHBondContact O-N 3.03Å; V56-L80 HydrophobicContact CB-CD2 4.15Å; V56-L80 HydrophobicContact CG1-CD2 3.9Å; V56-L80 HydrophobicContact CG2-CD2 3.69Å
57E75.1Confident70Confident65 Ų6593.5 Ų93.530%0.30451%0.513SS..Hα-helixtrans-68.2-37.8179.8-161.8-175.9168.700111.8Y53 K61Y53-E57 VanDerWaalsContact CE1-OE2 3.29Å; Y53-E57 WeakPolarHBondContact CE1-OE2 3.4Å; Y53-E57 WeakPolarHBondContact O-CB 3.44Å; Y53-E57 PolarHBondContact O-N 3.17Å; E57-K61 HydrophobicContact CG-CD 4.18Å; E57-K61 VanDerWaalsContact O-CB 3.27Å; E57-K61 WeakPolarHBondContact O-CB 3.37Å; E57-K61 WeakPolarHBondContact O-CG 3.24Å; E57-K61 PolarHBondContact O-N 3.41Å; E57-K61 WeakPolarHBondContact OE1-CE 3.48Å; E57-K61 IonicContact OE1-NZ 3.09Å; E57-K61 PolarHBondContact OE1-NZ 3.37Å; E57-K61 IonicContact OE2-NZ 3.41Å
58A78.9Confident71Confident53 Ų5388.6 Ų88.644%0.43850%0.496SS..Hα-helixtrans-65.8-40.2175.600000113D54 K61 S62D54-A58 VanDerWaalsContact O-CB 3.24Å; D54-A58 WeakPolarHBondContact O-CB 3.46Å; D54-A58 PolarHBondContact O-N 3Å; A58-K61 PolarHBondContact O-N 3.36Å; A58-S62 WeakPolarHBondContact O-CB 3.47Å; A58-S62 PolarHBondContact O-N 2.96Å; A58-S62 PolarHBondContact O-OG 3.42Å
59E75.7Confident72.1Confident105 Ų10585.6 Ų85.649%0.49149%0.489SS..Hα-helixtrans-72.4-36.7177.3-170.3173.5-170.200111.8A55 V56 S62 S63 L80A55-E59 PolarHBondContact O-N 2.9Å; A55-E59 VanDerWaalsContact O-N 3.16Å; V56-E59 PolarHBondContact O-N 3.13Å; E59-S62 WeakPolarHBondContact CA-OG 3.42Å; E59-S62 PolarHBondContact O-OG 3.4Å; E59-S63 VanDerWaalsContact O-CB 3.23Å; E59-S63 WeakPolarHBondContact O-CB 3.5Å; E59-S63 PolarHBondContact O-N 3.19Å; E59-S63 PolarHBondContact O-OG 3.29Å; E59-L80 HydrophobicContact CB-CD1 3.86Å; E59-L80 HydrophobicContact CG-CD1 3.58Å
60L78.1Confident73.2Confident30 Ų3084.2 Ų84.216%0.15749%0.488CS..Hα-helixtrans-63.7-47169.9-83.1158.5000111.6V56 S62 S63 T64 Q77 L80V56-L60 HydrophobicContact CG1-CD1 3.66Å; V56-L60 WeakPolarHBondContact O-CB 3.48Å; V56-L60 WeakPolarHBondContact O-CD1 3.35Å; V56-L60 WeakPolarHBondContact O-CG 3.5Å; V56-L60 PolarHBondContact O-N 3.03Å; L60-S62 PolarHBondContact O-N 3Å; L60-S63 PolarHBondContact O-N 3.44Å; L60-S63 PolarHBondContact O-OG 3.22Å; L60-T64 VanDerWaalsContact O-CB 3.29Å; L60-T64 WeakPolarHBondContact O-CB 3.17Å; L60-T64 WeakPolarHBondContact O-CG2 3.42Å; L60-T64 PolarHBondContact O-N 3.18Å; L60-T64 PolarHBondContact O-OG1 3.04Å; L60-Q77 HydrophobicContact CD1-CG 4.38Å; L60-Q77 HydrophobicContact CD2-CB 4.17Å; L60-L80 HydrophobicContact CG-CD1 4.33Å
61K80.6Confident74.5Confident120 Ų12086 Ų8652%0.52249%0.491SS..Hα-helixtrans-62.1-41.4179.4-78.8170.2180165.40112.6E57 A58 V65E57-K61 HydrophobicContact CG-CD 4.18Å; E57-K61 VanDerWaalsContact O-CB 3.27Å; E57-K61 WeakPolarHBondContact O-CB 3.37Å; E57-K61 WeakPolarHBondContact O-CG 3.24Å; E57-K61 PolarHBondContact O-N 3.41Å; E57-K61 WeakPolarHBondContact OE1-CE 3.48Å; E57-K61 IonicContact OE1-NZ 3.09Å; E57-K61 PolarHBondContact OE1-NZ 3.37Å; E57-K61 IonicContact OE2-NZ 3.41Å; A58-K61 PolarHBondContact O-N 3.36Å; K61-V65 VanDerWaalsContact O-CG2 3.29Å; K61-V65 WeakPolarHBondContact O-CG2 3.25Å
62S80Confident75.6Confident83 Ų8386.8 Ų86.858%0.5849%0.487SS*.Hα-helixtrans-73-35.4178.6560000112.8A58 E59 L60A58-S62 WeakPolarHBondContact O-CB 3.47Å; A58-S62 PolarHBondContact O-N 2.96Å; A58-S62 PolarHBondContact O-OG 3.42Å; E59-S62 WeakPolarHBondContact CA-OG 3.42Å; E59-S62 PolarHBondContact O-OG 3.4Å; L60-S62 PolarHBondContact O-N 3Å
63S74.1Confident76.7Confident51 Ų5186.4 Ų86.436%0.35749%0.486SS..Hα-helixtrans-81.8-9.6179.667.90000114.8E59 L60 K76E59-S63 VanDerWaalsContact O-CB 3.23Å; E59-S63 WeakPolarHBondContact O-CB 3.5Å; E59-S63 PolarHBondContact O-N 3.19Å; E59-S63 PolarHBondContact O-OG 3.29Å; L60-S63 PolarHBondContact O-N 3.44Å; L60-S63 PolarHBondContact O-OG 3.22Å; S63-K76 PolarHBondContact O-NZ 3.09Å
64T71.3Confident77.9Confident34 Ų3485.3 Ų85.321%0.20949%0.485CS..THydrogen-bonded Turntrans-109.911.1-177.4570000114.3L60 G66 M73 K76L60-T64 VanDerWaalsContact O-CB 3.29Å; L60-T64 WeakPolarHBondContact O-CB 3.17Å; L60-T64 WeakPolarHBondContact O-CG2 3.42Å; L60-T64 PolarHBondContact O-N 3.18Å; L60-T64 PolarHBondContact O-OG1 3.04Å; T64-G66 PolarHBondContact O-N 3.49Å; T64-G66 VanDerWaalsContact O-N 3.1Å; T64-M73 HydrophobicContact CG2-CG 4.2Å; T64-M73 HydrophobicContact CG2-SD 4.04Å; T64-K76 HydrophobicContact CG2-CD 4.45Å
65V79.1Confident78.8Confident128 Ų12882.8 Ų82.878%0.77648%0.48SS*.  trans-70.5106.6174.9-174.10000110.5K61K61-V65 VanDerWaalsContact O-CG2 3.29Å; K61-V65 WeakPolarHBondContact O-CG2 3.25Å
66G79.8Confident79.5Confident58 Ų5884.1 Ų84.160%0.59848%0.475SS*.SBendtrans143.7-173.8176.400000113.5T64 V68T64-G66 PolarHBondContact O-N 3.49Å; T64-G66 VanDerWaalsContact O-N 3.1Å; G66-V68 PolarHBondContact O-N 3.49Å; G66-V68 VanDerWaalsContact O-N 3.16Å
67L79.9Confident80.1Confident189 Ų18988 Ų8899%0.9949%0.491SS*.SBendtrans-76.8100.6172.1-17269.3000108.9
68V81.9Confident80.5Confident44 Ų4491.4 Ų91.427%0.26751%0.507SS..  trans-119.4135.6-177.3-178.30000108.7G66 D72 M73G66-V68 PolarHBondContact O-N 3.49Å; G66-V68 VanDerWaalsContact O-N 3.16Å; V68-D72 HydrophobicContact CG1-CB 3.55Å; V68-M73 HydrophobicContact CB-CG 4.43Å; V68-M73 HydrophobicContact CG1-CG 3.75Å
69T85.1Confident80.9Confident77 Ų7791.7 Ų91.747%0.47251%0.509SS..  trans-76.5156.4177.374.50000110.8N71 D72 M73T69-N71 PolarHBondContact O-N 3.27Å; T69-D72 WeakPolarHBondContact CB-OD2 3.45Å; T69-D72 PolarHBondContact N-OD2 2.94Å; T69-D72 PolarHBondContact O-N 3.02Å; T69-D72 VanDerWaalsContact O-N 3.09Å; T69-D72 PolarHBondContact OG1-N 3.38Å; T69-D72 PolarHBondContact OG1-OD2 3.26Å; T69-M73 PolarHBondContact O-N 3.13Å; T69-M73 VanDerWaalsContact O-N 3.13Å
70L79.1Confident81.1Confident133 Ų13387.7 Ų87.770%0.69649%0.491SS*.Hα-helixtrans-58.6-30.6178.5-72.3174.6000112.9M73 K74L70-M73 HydrophobicContact CD2-CE 4.45Å; L70-K74 PolarHBondContact O-N 3.26Å
71N84.8Confident81.3Confident121 Ų12189.3 Ų89.365%0.64750%0.502SS*.Hα-helixtrans-71-39.9177.6-67.6-19.2000111.3T69 M73 K74 A75T69-N71 PolarHBondContact O-N 3.27Å; N71-M73 VanDerWaalsContact C-N 3.34Å; N71-M73 PolarHBondContact O-N 3.25Å; N71-K74 PolarHBondContact O-N 3.2Å; N71-A75 WeakPolarHBondContact O-CB 3.48Å; N71-A75 PolarHBondContact O-N 3.36Å
72D82.8Confident81.5Confident80 Ų8090.4 Ų90.443%0.42851%0.507SS..Hα-helixtrans-66.7-35.8177.8-58.9-35.8000111.8V68 T69 K76V68-D72 HydrophobicContact CG1-CB 3.55Å; T69-D72 WeakPolarHBondContact CB-OD2 3.45Å; T69-D72 PolarHBondContact N-OD2 2.94Å; T69-D72 PolarHBondContact O-N 3.02Å; T69-D72 VanDerWaalsContact O-N 3.09Å; T69-D72 PolarHBondContact OG1-N 3.38Å; T69-D72 PolarHBondContact OG1-OD2 3.26Å; D72-K76 WeakPolarHBondContact O-CB 3.29Å; D72-K76 WeakPolarHBondContact O-CG 3.35Å; D72-K76 PolarHBondContact O-N 3.17Å
73M80.7Confident81.7Confident83 Ų8392 Ų9241%0.40951%0.505SS..Hα-helixtrans-65.7-42.8174.2-75.6-138.8-61.400112.4T64 V68 T69 L70 N71 K76 Q77T64-M73 HydrophobicContact CG2-CG 4.2Å; T64-M73 HydrophobicContact CG2-SD 4.04Å; V68-M73 HydrophobicContact CB-CG 4.43Å; V68-M73 HydrophobicContact CG1-CG 3.75Å; T69-M73 PolarHBondContact O-N 3.13Å; T69-M73 VanDerWaalsContact O-N 3.13Å; L70-M73 HydrophobicContact CD2-CE 4.45Å; N71-M73 VanDerWaalsContact C-N 3.34Å; N71-M73 PolarHBondContact O-N 3.25Å; M73-K76 PolarHBondContact O-N 3.27Å; M73-Q77 WeakPolarHBondContact O-CB 3.38Å; M73-Q77 PolarHBondContact O-N 3.44Å
74K84.1Confident81.8Confident143 Ų14392.5 Ų92.562%0.62250%0.499SS*.Hα-helixtrans-64.3-44176.9-75.1-177.8178.1-176.90111.8L70 N71 K76 Q77 E78L70-K74 PolarHBondContact O-N 3.26Å; N71-K74 PolarHBondContact O-N 3.2Å; K74-K76 VanDerWaalsContact C-N 3.34Å; K74-K76 PolarHBondContact O-N 3.18Å; K74-Q77 PolarHBondContact O-N 3.39Å; K74-E78 WeakPolarHBondContact O-CB 3.44Å; K74-E78 PolarHBondContact O-N 3.14Å
75A86.6Confident82.2Confident58 Ų5896.7 Ų96.748%0.47952%0.516SS..Hα-helixtrans-61.8-41.4177.600000112N71 A79N71-A75 WeakPolarHBondContact O-CB 3.48Å; N71-A75 PolarHBondContact O-N 3.36Å; A75-A79 WeakPolarHBondContact O-CB 3.21Å; A75-A79 PolarHBondContact O-N 2.92Å
76K82.8Confident82.5Confident83 Ų8397.1 Ų97.136%0.36151%0.508SS..Hα-helixtrans-66-41175.6-76.4179.7176.71790112.5S63 T64 D72 M73 K74 L80S63-K76 PolarHBondContact O-NZ 3.09Å; T64-K76 HydrophobicContact CG2-CD 4.45Å; D72-K76 WeakPolarHBondContact O-CB 3.29Å; D72-K76 WeakPolarHBondContact O-CG 3.35Å; D72-K76 PolarHBondContact O-N 3.17Å; M73-K76 PolarHBondContact O-N 3.27Å; K74-K76 VanDerWaalsContact C-N 3.34Å; K74-K76 PolarHBondContact O-N 3.18Å; K76-L80 WeakPolarHBondContact O-CB 3.29Å; K76-L80 PolarHBondContact O-N 2.71Å; K76-L80 VanDerWaalsContact O-N 3.13Å
77Q80.8Confident82.6Confident110 Ų110100 Ų10051%0.51451%0.506SS..Hα-helixtrans-62.5-46.2176.3-174.5179.86.300111.7L60 M73 K74 L80 V81L60-Q77 HydrophobicContact CD1-CG 4.38Å; L60-Q77 HydrophobicContact CD2-CB 4.17Å; M73-Q77 WeakPolarHBondContact O-CB 3.38Å; M73-Q77 PolarHBondContact O-N 3.44Å; K74-Q77 PolarHBondContact O-N 3.39Å; Q77-L80 PolarHBondContact O-N 3.14Å; Q77-V81 WeakPolarHBondContact O-CG2 3.46Å; Q77-V81 PolarHBondContact O-N 3.31Å; Q77-V81 VanDerWaalsContact O-N 3.12Å
78E84.8Confident82.6Confident136 Ų13695.4 Ų95.464%0.63648%0.482SS*.Hα-helixtrans-65-42.9179.1-170.5-176.616300112K74 L80 V81 K82K74-E78 WeakPolarHBondContact O-CB 3.44Å; K74-E78 PolarHBondContact O-N 3.14Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 2.87Å; E78-V81 PolarHBondContact O-N 3.48Å; E78-K82 VanDerWaalsContact O-CB 3.32Å; E78-K82 WeakPolarHBondContact O-CB 3.27Å; E78-K82 PolarHBondContact O-N 3.01Å
79A86.1Confident82.7Confident59 Ų5995.4 Ų95.449%0.48849%0.487SS..Hα-helixtrans-60.3-43.1178.100000112.3A75 K82 E83A75-A79 WeakPolarHBondContact O-CB 3.21Å; A75-A79 PolarHBondContact O-N 2.92Å; A79-K82 PolarHBondContact O-N 3.47Å; A79-E83 WeakPolarHBondContact O-CB 3.36Å; A79-E83 PolarHBondContact O-N 2.99Å
80L81.2Confident82.8Confident22 Ų2297.9 Ų97.912%0.11549%0.491CS..Hα-helixtrans-69.6-39-178.6-163.7154.6000111.9V56 E59 L60 K76 Q77 E78 R84V56-L80 HydrophobicContact CB-CD2 4.15Å; V56-L80 HydrophobicContact CG1-CD2 3.9Å; V56-L80 HydrophobicContact CG2-CD2 3.69Å; E59-L80 HydrophobicContact CB-CD1 3.86Å; E59-L80 HydrophobicContact CG-CD1 3.58Å; L60-L80 HydrophobicContact CG-CD1 4.33Å; K76-L80 WeakPolarHBondContact O-CB 3.29Å; K76-L80 PolarHBondContact O-N 2.71Å; K76-L80 VanDerWaalsContact O-N 3.13Å; Q77-L80 PolarHBondContact O-N 3.14Å; E78-L80 VanDerWaalsContact C-N 3.34Å; E78-L80 PolarHBondContact O-N 2.87Å; L80-R84 WeakPolarHBondContact O-CB 3.08Å; L80-R84 PolarHBondContact O-N 2.99Å; L80-R84 VanDerWaalsContact O-N 3.14Å
81V81.5Confident83Confident63 Ų6397.6 Ų97.638%0.38248%0.484SS..Hα-helixtrans-62.3-47.9172.4171.70000110.6Q77 E78 E83 R84 E85Q77-V81 WeakPolarHBondContact O-CG2 3.46Å; Q77-V81 PolarHBondContact O-N 3.31Å; Q77-V81 VanDerWaalsContact O-N 3.12Å; E78-V81 PolarHBondContact O-N 3.48Å; V81-E83 PolarHBondContact O-N 3.01Å; V81-R84 WeakPolarHBondContact O-CB 3.29Å; V81-R84 PolarHBondContact O-N 3.22Å; V81-E85 HydrophobicContact CG1-CG 4.48Å; V81-E85 WeakPolarHBondContact O-CG 3.19Å; V81-E85 PolarHBondContact O-N 3.49Å
82K86Confident82.9Confident143 Ų14398.6 Ų98.662%0.62249%0.485SS*.Hα-helixtrans-64.5-39.6-178.9-171.9174.5-173.9170.90113.2E78 A79 R84 K86E78-K82 VanDerWaalsContact O-CB 3.32Å; E78-K82 WeakPolarHBondContact O-CB 3.27Å; E78-K82 PolarHBondContact O-N 3.01Å; A79-K82 PolarHBondContact O-N 3.47Å; K82-R84 VanDerWaalsContact C-N 3.32Å; K82-K86 WeakPolarHBondContact O-CB 3.29Å; K82-K86 PolarHBondContact O-N 2.65Å; K82-K86 VanDerWaalsContact O-N 3.08Å
83E83.8Confident83Confident116 Ų116100.7 Ų100.754%0.54249%0.492SS..Hα-helixtrans-64-40.8175.3-177.3167.2-170.300111.2A79 V81 K86 Q87A79-E83 WeakPolarHBondContact O-CB 3.36Å; A79-E83 PolarHBondContact O-N 2.99Å; V81-E83 PolarHBondContact O-N 3.01Å; E83-K86 WeakPolarHBondContact O-CB 3.23Å; E83-K86 PolarHBondContact O-N 3.31Å; E83-Q87 WeakPolarHBondContact O-CG 3.46Å; E83-Q87 PolarHBondContact O-N 3.39Å
84R76.6Confident83.1Confident63 Ų6399.3 Ų99.324%0.23849%0.49CS..Hα-helixtrans-67-43.6177.8-170.2175.1-168.81656.5112.7H52 L80 V81 K82 K86 Q87 L88H52-R84 PolarHBondContact CD2-NH2 3.43Å; H52-R84 PolarHBondContact CE1-NH1 3.35Å; H52-R84 VanDerWaalsContact CE1-NH1 3.28Å; H52-R84 PolarHBondContact ND1-NH1 2.94Å; H52-R84 PolarHBondContact NE2-NE 3.14Å; H52-R84 PolarHBondContact NE2-NH1 3.11Å; H52-R84 PolarHBondContact O-NH1 3.32Å; L80-R84 WeakPolarHBondContact O-CB 3.08Å; L80-R84 PolarHBondContact O-N 2.99Å; L80-R84 VanDerWaalsContact O-N 3.14Å; V81-R84 WeakPolarHBondContact O-CB 3.29Å; V81-R84 PolarHBondContact O-N 3.22Å; K82-R84 VanDerWaalsContact C-N 3.32Å; R84-K86 VanDerWaalsContact C-N 3.25Å; R84-K86 PolarHBondContact O-N 3.39Å; R84-Q87 PolarHBondContact O-N 2.98Å; R84-Q87 VanDerWaalsContact O-N 3.1Å; R84-L88 HydrophobicContact CG-CD1 4.44Å; R84-L88 WeakPolarHBondContact O-CG 3.45Å; R84-L88 PolarHBondContact O-N 2.84Å
85E79.3Confident83.2Confident121 Ų12198.6 Ų98.657%0.56549%0.487SS*.Hα-helixtrans-56.8-42.8173.5-74.4175.9171.800111V81 Q87 L88 A89V81-E85 HydrophobicContact CG1-CG 4.48Å; V81-E85 WeakPolarHBondContact O-CG 3.19Å; V81-E85 PolarHBondContact O-N 3.49Å; E85-Q87 PolarHBondContact O-N 3.49Å; E85-L88 PolarHBondContact O-N 3Å; E85-A89 WeakPolarHBondContact O-CB 3.21Å; E85-A89 PolarHBondContact O-N 3.06Å
86K84.8Confident83.1Confident138 Ų138100.6 Ų100.660%0.649%0.487SS*.Hα-helixtrans-63.8-38.1175.1-168.9177.4-175.2177.10112.7K82 E83 R84 K90K82-K86 WeakPolarHBondContact O-CB 3.29Å; K82-K86 PolarHBondContact O-N 2.65Å; K82-K86 VanDerWaalsContact O-N 3.08Å; E83-K86 WeakPolarHBondContact O-CB 3.23Å; E83-K86 PolarHBondContact O-N 3.31Å; R84-K86 VanDerWaalsContact C-N 3.25Å; R84-K86 PolarHBondContact O-N 3.39Å; K86-K90 WeakPolarHBondContact O-CG 3.4Å; K86-K90 PolarHBondContact O-N 2.82Å; K86-K90 VanDerWaalsContact O-N 3.09Å
87Q81Confident83.3Confident117 Ų117102.2 Ų102.255%0.54750%0.499SS..Hα-helixtrans-68.2-39.9175.5-72-177.515.900112.2E83 R84 E85 K90 K91E83-Q87 WeakPolarHBondContact O-CG 3.46Å; E83-Q87 PolarHBondContact O-N 3.39Å; R84-Q87 PolarHBondContact O-N 2.98Å; R84-Q87 VanDerWaalsContact O-N 3.1Å; E85-Q87 PolarHBondContact O-N 3.49Å; Q87-K90 PolarHBondContact O-N 3.24Å; Q87-K91 WeakPolarHBondContact O-CB 3.44Å; Q87-K91 PolarHBondContact O-N 2.94Å
88L81.4Confident83.5Confident94 Ų94103.3 Ų103.349%0.49250%0.504SS..Hα-helixtrans-63.7-46.3175.7-71.9172.5000111.1R84 E85 K90 K91 E92R84-L88 HydrophobicContact CG-CD1 4.44Å; R84-L88 WeakPolarHBondContact O-CG 3.45Å; R84-L88 PolarHBondContact O-N 2.84Å; E85-L88 PolarHBondContact O-N 3Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 3.34Å; L88-K91 PolarHBondContact O-N 3.4Å; L88-K91 VanDerWaalsContact O-N 3.13Å; L88-E92 PolarHBondContact O-N 3.48Å
89A84.4Confident83.5Confident44 Ų44101.2 Ų101.236%0.36450%0.497SS..Hα-helixtrans-58.6-43.6175.800000112.2E85 K91 E92 Q93E85-A89 WeakPolarHBondContact O-CB 3.21Å; E85-A89 PolarHBondContact O-N 3.06Å; A89-K91 PolarHBondContact O-N 3.32Å; A89-E92 PolarHBondContact O-N 3.22Å; A89-Q93 WeakPolarHBondContact O-CG 3.35Å; A89-Q93 PolarHBondContact O-N 2.99Å
90K87.2Confident83.6Confident128 Ų128103.5 Ų103.556%0.55750%0.495SS*.Hα-helixtrans-63.5-39.9174.8-75.8179.3176.6-172.30112.7K86 Q87 L88 E92 S94K86-K90 WeakPolarHBondContact O-CG 3.4Å; K86-K90 PolarHBondContact O-N 2.82Å; K86-K90 VanDerWaalsContact O-N 3.09Å; Q87-K90 PolarHBondContact O-N 3.24Å; L88-K90 VanDerWaalsContact C-N 3.35Å; L88-K90 PolarHBondContact O-N 3.34Å; K90-E92 VanDerWaalsContact C-N 3.31Å; K90-S94 WeakPolarHBondContact O-CB 3.49Å; K90-S94 PolarHBondContact O-N 3.28Å; K90-S94 PolarHBondContact O-OG 3.37Å
91K83.1Confident84Confident127 Ų127106.9 Ų106.955%0.55251%0.513SS*.Hα-helixtrans-67.3-34.1177.8-168.8173-176.3173.90111.9Q87 L88 A89 S94 K95Q87-K91 WeakPolarHBondContact O-CB 3.44Å; Q87-K91 PolarHBondContact O-N 2.94Å; L88-K91 PolarHBondContact O-N 3.4Å; L88-K91 VanDerWaalsContact O-N 3.13Å; A89-K91 PolarHBondContact O-N 3.32Å; K91-S94 WeakPolarHBondContact CA-OG 3.48Å; K91-S94 PolarHBondContact O-OG 2.6Å; K91-K95 VanDerWaalsContact O-CG 3.29Å; K91-K95 WeakPolarHBondContact O-CG 3.35Å; K91-K95 PolarHBondContact O-N 3.42Å
92E81.9Confident84.2Confident143 Ų143110.5 Ų110.567%0.66853%0.526SS*.Hα-helixtrans-70.9-48.3175.3-171.7167.1-160.400111.6L88 A89 K90 S94 K95 E96L88-E92 PolarHBondContact O-N 3.48Å; A89-E92 PolarHBondContact O-N 3.22Å; K90-E92 VanDerWaalsContact C-N 3.31Å; E92-S94 VanDerWaalsContact C-N 3.34Å; E92-S94 PolarHBondContact O-N 3.44Å; E92-K95 WeakPolarHBondContact O-CB 3.41Å; E92-K95 PolarHBondContact O-N 3.06Å; E92-K95 VanDerWaalsContact O-N 3.15Å; E92-E96 PolarHBondContact O-N 3Å
93Q85.4Confident84.2Confident123 Ų123109.9 Ų109.958%0.57552%0.523SS*.Hα-helixtrans-58.3-43.4176.1-72.9177.3-3.500112.4A89 E96 L97A89-Q93 WeakPolarHBondContact O-CG 3.35Å; A89-Q93 PolarHBondContact O-N 2.99Å; Q93-E96 PolarHBondContact O-N 3.47Å; Q93-L97 WeakPolarHBondContact O-CG 3.35Å; Q93-L97 PolarHBondContact O-N 3.16Å
94S82.6Confident84.4Confident54 Ų54109.9 Ų109.938%0.37852%0.523SS..Hα-helixtrans-65-38.3176.651.70000113.2K90 K91 E92 L97 Q98K90-S94 WeakPolarHBondContact O-CB 3.49Å; K90-S94 PolarHBondContact O-N 3.28Å; K90-S94 PolarHBondContact O-OG 3.37Å; K91-S94 WeakPolarHBondContact CA-OG 3.48Å; K91-S94 PolarHBondContact O-OG 2.6Å; E92-S94 VanDerWaalsContact C-N 3.34Å; E92-S94 PolarHBondContact O-N 3.44Å; S94-L97 PolarHBondContact O-N 3.49Å; S94-Q98 WeakPolarHBondContact O-CG 3.41Å; S94-Q98 PolarHBondContact O-N 3.2Å
95K85.6Confident84.9Confident128 Ų128113.4 Ų113.456%0.55754%0.54SS*.Hα-helixtrans-65-41.5173.6-78.8178175.2-1720112K91 E92 L97 Q98 L99K91-K95 VanDerWaalsContact O-CG 3.29Å; K91-K95 WeakPolarHBondContact O-CG 3.35Å; K91-K95 PolarHBondContact O-N 3.42Å; E92-K95 WeakPolarHBondContact O-CB 3.41Å; E92-K95 PolarHBondContact O-N 3.06Å; E92-K95 VanDerWaalsContact O-N 3.15Å; K95-L97 VanDerWaalsContact C-N 3.35Å; K95-Q98 PolarHBondContact O-N 2.94Å; K95-L99 WeakPolarHBondContact O-CB 3.49Å; K95-L99 PolarHBondContact O-N 2.81Å
96E84.6Confident85.4Confident100 Ų100112.4 Ų112.447%0.46754%0.536SS..Hα-helixtrans-62.8-43.1177.5-163.7-166.6151.500111.4E92 Q93 L99 K100E92-E96 PolarHBondContact O-N 3Å; Q93-E96 PolarHBondContact O-N 3.47Å; E96-L99 PolarHBondContact O-N 2.9Å; E96-K100 WeakPolarHBondContact O-CG 3.42Å; E96-K100 PolarHBondContact O-N 3.3Å; E96-K100 WeakPolarHBondContact OE1-CE 3.44Å; E96-K100 IonicContact OE1-NZ 3.89Å; E96-K100 PolarHBondContact OE1-NZ 2.96Å
97L87.5Confident85.4Confident118 Ų118113.3 Ų113.362%0.61854%0.539SS*.Hα-helixtrans-61.7-42.5174.7-74.7168.2000112.3Q93 S94 K95 K100 L101Q93-L97 WeakPolarHBondContact O-CG 3.35Å; Q93-L97 PolarHBondContact O-N 3.16Å; S94-L97 PolarHBondContact O-N 3.49Å; K95-L97 VanDerWaalsContact C-N 3.35Å; L97-K100 PolarHBondContact O-N 2.88Å; L97-L101 PolarHBondContact O-N 2.97Å
98Q83.6Confident85.8Confident133 Ų133114.2 Ų114.262%0.62154%0.542SS*.Hα-helixtrans-61.9-43.7175.8-77178.9-2.100111.9S94 K95 K100 L101 E102S94-Q98 WeakPolarHBondContact O-CG 3.41Å; S94-Q98 PolarHBondContact O-N 3.2Å; K95-Q98 PolarHBondContact O-N 2.94Å; Q98-K100 VanDerWaalsContact C-N 3.34Å; Q98-K100 PolarHBondContact O-N 3.42Å; Q98-L101 PolarHBondContact O-N 3.32Å; Q98-E102 PolarHBondContact O-N 3.4Å
99L84.9Confident86.1Confident92 Ų92117.9 Ų117.948%0.48255%0.549SS..Hα-helixtrans-67-35.4179.9-165.7137.4000112.1K95 E96 K103K95-L99 WeakPolarHBondContact O-CB 3.49Å; K95-L99 PolarHBondContact O-N 2.81Å; E96-L99 PolarHBondContact O-N 2.9Å; L99-K103 HydrophobicContact CD2-CD 4.11Å; L99-K103 WeakPolarHBondContact O-CG 3.34Å; L99-K103 PolarHBondContact O-N 3.13Å; L99-K103 VanDerWaalsContact O-N 3.14Å
100K88.4Confident86Confident106 Ų106121.4 Ų121.446%0.46156%0.556SS.*Hα-helixtrans-64.4-43.9171.4-76.2177.5-175.2166.30111.7E96 L97 Q98 E102 K103 Q104E96-K100 WeakPolarHBondContact O-CG 3.42Å; E96-K100 PolarHBondContact O-N 3.3Å; E96-K100 WeakPolarHBondContact OE1-CE 3.44Å; E96-K100 IonicContact OE1-NZ 3.89Å; E96-K100 PolarHBondContact OE1-NZ 2.96Å; L97-K100 PolarHBondContact O-N 2.88Å; Q98-K100 VanDerWaalsContact C-N 3.34Å; Q98-K100 PolarHBondContact O-N 3.42Å; K100-E102 VanDerWaalsContact C-N 3.35Å; K100-E102 PolarHBondContact O-N 3.18Å; K100-K103 PolarHBondContact O-N 2.92Å; K100-Q104 PolarHBondContact O-N 3.34Å; K100-Q104 VanDerWaalsContact O-N 3.11Å
101L89.7Confident85.9Confident93 Ų93120 Ų12049%0.48755%0.551SS.*Hα-helixtrans-64.7-39.2178.8-169.572.9000112L97 Q98 Q104 K105L97-L101 PolarHBondContact O-N 2.97Å; Q98-L101 PolarHBondContact O-N 3.32Å; L101-Q104 PolarHBondContact O-N 3.15Å; L101-K105 WeakPolarHBondContact O-CG 3.21Å; L101-K105 PolarHBondContact O-N 3.36Å
102E87.1Confident86Confident139 Ų139119.1 Ų119.165%0.6555%0.549SS*.Hα-helixtrans-65.5-44.4177.7-168.7170.1-162.700111.9Q98 K100 Q104 K105 E106Q98-E102 PolarHBondContact O-N 3.4Å; K100-E102 VanDerWaalsContact C-N 3.35Å; K100-E102 PolarHBondContact O-N 3.18Å; E102-Q104 VanDerWaalsContact C-N 3.3Å; E102-Q104 PolarHBondContact O-N 3.48Å; E102-K105 PolarHBondContact O-N 3.1Å; E102-E106 PolarHBondContact O-N 2.98Å
103K86.1Confident85.9Confident130 Ų130117.2 Ų117.257%0.56554%0.54SS*.Hα-helixtrans-58.5-40173.3-76.9178.7176.5177.60112.5L99 K100 E106 K107L99-K103 HydrophobicContact CD2-CD 4.11Å; L99-K103 WeakPolarHBondContact O-CG 3.34Å; L99-K103 PolarHBondContact O-N 3.13Å; L99-K103 VanDerWaalsContact O-N 3.14Å; K100-K103 PolarHBondContact O-N 2.92Å; K103-E106 PolarHBondContact O-N 2.8Å; K103-K107 WeakPolarHBondContact O-CG 3.33Å; K103-K107 PolarHBondContact O-N 3.39Å; K103-K107 VanDerWaalsContact O-N 3.14Å
104Q86.2Confident85.6Confident117 Ų117119.1 Ų119.155%0.54755%0.547SS..Hα-helixtrans-66.9-40.9176.5-74.2-176.22.300112.3K100 L101 E102 E106 K107 K108K100-Q104 PolarHBondContact O-N 3.34Å; K100-Q104 VanDerWaalsContact O-N 3.11Å; L101-Q104 PolarHBondContact O-N 3.15Å; E102-Q104 VanDerWaalsContact C-N 3.3Å; E102-Q104 PolarHBondContact O-N 3.48Å; Q104-E106 VanDerWaalsContact C-N 3.34Å; Q104-E106 PolarHBondContact O-N 3.09Å; Q104-K107 PolarHBondContact O-N 3.12Å; Q104-K108 PolarHBondContact O-N 3.14Å; Q104-K108 VanDerWaalsContact O-N 3.09Å
105K89.2Confident85.5Confident137 Ų137124.8 Ų124.860%0.59656%0.56SS**Hα-helixtrans-63.8-39.3175.9-74178.8179.3-179.30112.1L101 E102 K108 R109L101-K105 WeakPolarHBondContact O-CG 3.21Å; L101-K105 PolarHBondContact O-N 3.36Å; E102-K105 PolarHBondContact O-N 3.1Å; K105-K108 PolarHBondContact O-N 2.92Å; K105-R109 PolarHBondContact O-N 3.38Å
106E87.8Confident85.2Confident100 Ų100125.1 Ų125.147%0.46756%0.561SS.*Hα-helixtrans-64.5-42.7177.2-163.4-166.4149.300111.9E102 K103 Q104 R109 K110E102-E106 PolarHBondContact O-N 2.98Å; K103-E106 PolarHBondContact O-N 2.8Å; Q104-E106 VanDerWaalsContact C-N 3.34Å; Q104-E106 PolarHBondContact O-N 3.09Å; E106-R109 PolarHBondContact O-N 2.96Å; E106-K110 PolarHBondContact O-N 2.99Å; E106-K110 WeakPolarHBondContact OE1-CE 3.44Å; E106-K110 IonicContact OE1-NZ 2.71Å; E106-K110 PolarHBondContact OE1-NZ 3.45Å
107K86.8Confident84.7Confident156 Ų156126.4 Ų126.468%0.67857%0.57SS**Hα-helixtrans-58.7-47.6174.2-75.2-175.7176.6-1690111.7K103 Q104 R109 K110 E111K103-K107 WeakPolarHBondContact O-CG 3.33Å; K103-K107 PolarHBondContact O-N 3.39Å; K103-K107 VanDerWaalsContact O-N 3.14Å; Q104-K107 PolarHBondContact O-N 3.12Å; K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.1Å; K107-K110 PolarHBondContact O-N 3.46Å; K107-E111 PolarHBondContact O-N 2.71Å
108K88.8Confident83.9Confident136 Ų136124.9 Ų124.959%0.59158%0.575SS**Hα-helixtrans-60-42176.7-72.1-173.4177.6-170.40112.4Q104 K105 K110 E111 E112Q104-K108 PolarHBondContact O-N 3.14Å; Q104-K108 VanDerWaalsContact O-N 3.09Å; K105-K108 PolarHBondContact O-N 2.92Å; K108-K110 VanDerWaalsContact C-N 3.34Å; K108-K110 PolarHBondContact O-N 2.92Å; K108-E111 PolarHBondContact O-N 3.16Å; K108-E112 WeakPolarHBondContact O-CG 3.39Å; K108-E112 PolarHBondContact O-N 3.13Å
109R86.3Confident83.2Confident171 Ų171122.8 Ų122.865%0.64558%0.575SS**Hα-helixtrans-62.7-39.6177.2-123.5178.473.3-172.42.9112.6K105 E106 K107 Q113K105-R109 PolarHBondContact O-N 3.38Å; E106-R109 PolarHBondContact O-N 2.96Å; K107-R109 VanDerWaalsContact C-N 3.34Å; K107-R109 PolarHBondContact O-N 3.1Å; R109-Q113 WeakPolarHBondContact O-CB 3.32Å; R109-Q113 VanDerWaalsContact O-CG 3.31Å; R109-Q113 WeakPolarHBondContact O-CG 3.45Å; R109-Q113 PolarHBondContact O-N 3.2Å
110K83.5Confident81.8Confident118 Ų118124.8 Ų124.851%0.51359%0.585SS.*Hα-helixtrans-66.1-40.5176.1-78.5171.9168.7163.60111.6E106 K107 K108 Q113 K114E106-K110 PolarHBondContact O-N 2.99Å; E106-K110 WeakPolarHBondContact OE1-CE 3.44Å; E106-K110 IonicContact OE1-NZ 2.71Å; E106-K110 PolarHBondContact OE1-NZ 3.45Å; K107-K110 PolarHBondContact O-N 3.46Å; K108-K110 VanDerWaalsContact C-N 3.34Å; K108-K110 PolarHBondContact O-N 2.92Å; K110-Q113 PolarHBondContact O-N 3.38Å; K110-K114 PolarHBondContact O-N 3.08Å
111E85.9Confident79.9Confident98 Ų98124.9 Ų124.946%0.45860%0.599SS.*Hα-helixtrans-66.8-44.2176.9-161.9-170.2152.500112.1K107 K108 Q113 K114 R115K107-E111 PolarHBondContact O-N 2.71Å; K108-E111 PolarHBondContact O-N 3.16Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 2.95Å; E111-K114 PolarHBondContact O-N 3.04Å; E111-R115 PolarHBondContact O-N 2.89Å; E111-R115 IonicContact OE1-CZ 3.72Å; E111-R115 IonicContact OE1-NE 3.38Å; E111-R115 PolarHBondContact OE1-NE 3.18Å; E111-R115 IonicContact OE1-NH2 3.13Å; E111-R115 PolarHBondContact OE1-NH2 3.13Å; E111-R115 VanDerWaalsContact OE1-NH2 3.13Å
112E84.3Confident77.7Confident109 Ų109129.9 Ų129.951%0.50962%0.617SS.*Hα-helixtrans-61.8-37.4174.8-75.8179-172.400112.6K108 R115 K116K108-E112 WeakPolarHBondContact O-CG 3.39Å; K108-E112 PolarHBondContact O-N 3.13Å; E112-R115 PolarHBondContact O-N 3.45Å; E112-K116 WeakPolarHBondContact O-CB 3.44Å; E112-K116 WeakPolarHBondContact O-CG 3.46Å; E112-K116 PolarHBondContact O-N 3.09Å
113Q79.7Confident75.4Confident103 Ų103130.1 Ų130.148%0.48162%0.623SS.*Hα-helixtrans-64.4-44.9174.2-78.6178.2-17.800111.5R109 K110 E111 R115 K116 I117R109-Q113 WeakPolarHBondContact O-CB 3.32Å; R109-Q113 VanDerWaalsContact O-CG 3.31Å; R109-Q113 WeakPolarHBondContact O-CG 3.45Å; R109-Q113 PolarHBondContact O-N 3.2Å; K110-Q113 PolarHBondContact O-N 3.38Å; E111-Q113 VanDerWaalsContact C-N 3.31Å; E111-Q113 PolarHBondContact O-N 2.95Å; Q113-R115 PolarHBondContact O-N 3.42Å; Q113-K116 PolarHBondContact O-N 2.91Å; Q113-I117 WeakPolarHBondContact O-CD1 3.44Å; Q113-I117 VanDerWaalsContact O-CG1 3.26Å; Q113-I117 WeakPolarHBondContact O-CG1 3.32Å; Q113-I117 PolarHBondContact O-N 3.31Å
114K79.4Confident73.7Confident164 Ų164129 Ų12971%0.71363%0.629SS**Hα-helixtrans-59.1-45.3174.2-78.3-170.6173.1-166.40111.6K110 E111 K116 I117 A118K110-K114 PolarHBondContact O-N 3.08Å; E111-K114 PolarHBondContact O-N 3.04Å; K114-K116 PolarHBondContact O-N 3.08Å; K114-I117 PolarHBondContact O-N 3.32Å; K114-A118 WeakPolarHBondContact O-CB 3.48Å; K114-A118 PolarHBondContact O-N 2.98Å
115R81Confident71.5Confident173 Ų173130.5 Ų130.565%0.65364%0.641SS**Hα-helixtrans-62.6-40.4176.8-72.9-177.4-176.1-118.53.7112.6E111 E112 Q113 A118 S119E111-R115 PolarHBondContact O-N 2.89Å; E111-R115 IonicContact OE1-CZ 3.72Å; E111-R115 IonicContact OE1-NE 3.38Å; E111-R115 PolarHBondContact OE1-NE 3.18Å; E111-R115 IonicContact OE1-NH2 3.13Å; E111-R115 PolarHBondContact OE1-NH2 3.13Å; E111-R115 VanDerWaalsContact OE1-NH2 3.13Å; E112-R115 PolarHBondContact O-N 3.45Å; Q113-R115 PolarHBondContact O-N 3.42Å; R115-A118 PolarHBondContact O-N 3.42Å; R115-S119 WeakPolarHBondContact O-CB 3.32Å; R115-S119 PolarHBondContact O-N 3.47Å; R115-S119 PolarHBondContact O-OG 3.03Å
116K78.4Confident69.1Low134 Ų134132 Ų13258%0.58365%0.65SS**Hα-helixtrans-67.4-35.7176.8-79.2176.3179.8175.30113.3E112 Q113 K114 S119 L120E112-K116 WeakPolarHBondContact O-CB 3.44Å; E112-K116 WeakPolarHBondContact O-CG 3.46Å; E112-K116 PolarHBondContact O-N 3.09Å; Q113-K116 PolarHBondContact O-N 2.91Å; K114-K116 PolarHBondContact O-N 3.08Å; K116-S119 WeakPolarHBondContact CA-OG 3.48Å; K116-S119 PolarHBondContact O-N 3.37Å; K116-S119 PolarHBondContact O-OG 2.97Å; K116-L120 WeakPolarHBondContact O-CG 3.04Å; K116-L120 PolarHBondContact O-N 3.38Å
117I74.1Confident66.6Low127 Ų127135.5 Ų135.565%0.65167%0.666SS**Hα-helixtrans-68.3-43.7174.1-67.2163.4000109.5Q113 K114 S119 L120Q113-I117 WeakPolarHBondContact O-CD1 3.44Å; Q113-I117 VanDerWaalsContact O-CG1 3.26Å; Q113-I117 WeakPolarHBondContact O-CG1 3.32Å; Q113-I117 PolarHBondContact O-N 3.31Å; K114-I117 PolarHBondContact O-N 3.32Å; I117-S119 VanDerWaalsContact C-N 3.29Å; I117-S119 PolarHBondContact O-N 3.23Å; I117-L120 PolarHBondContact O-N 2.99Å
118A70.3Confident64.5Low87 Ų87136.9 Ų136.972%0.71968%0.675SS**Hα-helixtrans-64.9-29.4175.700000113.4K114 R115 L120K114-A118 WeakPolarHBondContact O-CB 3.48Å; K114-A118 PolarHBondContact O-N 2.98Å; R115-A118 PolarHBondContact O-N 3.42Å; A118-L120 VanDerWaalsContact C-N 3.33Å
119S68.8Low61.8Low89 Ų89139.8 Ų139.862%0.62269%0.691SS**THydrogen-bonded Turntrans-82.1-5.1178.869.60000114.7R115 K116 I117R115-S119 WeakPolarHBondContact O-CB 3.32Å; R115-S119 PolarHBondContact O-N 3.47Å; R115-S119 PolarHBondContact O-OG 3.03Å; K116-S119 WeakPolarHBondContact CA-OG 3.48Å; K116-S119 PolarHBondContact O-N 3.37Å; K116-S119 PolarHBondContact O-OG 2.97Å; I117-S119 VanDerWaalsContact C-N 3.29Å; I117-S119 PolarHBondContact O-N 3.23Å
120L57Low59.5Low134 Ų134140.5 Ų140.570%0.70270%0.702SS**SBendtrans-98.591.2176.2-71.9170.2000109.1K116 I117 A118 F122K116-L120 WeakPolarHBondContact O-CG 3.04Å; K116-L120 PolarHBondContact O-N 3.38Å; I117-L120 PolarHBondContact O-N 2.99Å; A118-L120 VanDerWaalsContact C-N 3.33Å; L120-F122 PolarHBondContact O-N 2.95Å
121S47.7Very low57Low107 Ų107142.7 Ų142.775%0.74872%0.719SS**  trans-69.792178.161.70000111.7
122F43Very low54.6Low199 Ų199145.1 Ų145.187%0.87374%0.735SS**  trans-160.288.3157-109-78.7000109.8L120L120-F122 PolarHBondContact O-N 2.95Å
123N39.3Very low52.1Low143 Ų143147 Ų14777%0.76575%0.749SS**  -178.9119.1113.5-15138.2000109.1
124P49.3Very low49.9Very low108 Ų108152.9 Ų152.970%0.70177%0.768SS**  trans-84142.4164.633.4-25.6000109.6
125D40.1Very low47.8Very low147 Ų147152.4 Ų152.479%0.78677%0.773SS**  trans89.3131.8164.7-82.3-23.6000122.4
126E40.6Very low45.9Very low169 Ų169150 Ų15079%0.7977%0.773SS**  trans73.5117.6163.7-69174.7175.400116.5
127E34Very low43.7Very low174 Ų174151.4 Ų151.481%0.81379%0.787SS**  cis-158.5158.320-106.7165.8164.300110
128E42.3Very low42.2Very low185 Ų185151.7 Ų151.786%0.86479%0.79SS**  trans-43135.8174.9-69.8163.4147.500115.1
129E32.2Very low40.6Very low196 Ų196155.5 Ų155.592%0.91680%0.798SS**  trans-147.3118.2133-109.9178.6-162.700108
130E38.5Very low39.3Very low187 Ų187157.9 Ų157.987%0.87480%0.804SS**  trans-49.7131.6169.8-72168.3141.300111.1
131D31.9Very low38.4Very low163 Ų163158.7 Ų158.787%0.87281%0.809SS**  trans-154.494.6135-133.7-0.1000108.2
132D34.3Very low37.7Very low149 Ų149160.7 Ų160.780%0.79781%0.811SS**  trans-63.5121.3160.6-89.9-37.3000108.7
133D31.8Very low37.6Very low149 Ų149157.3 Ų157.380%0.79780%0.803SS**  -163.691.8128.4-134.55.7000109.5
134Y34.7Very low37.4Very low227 Ų227160 Ų16089%0.8981%0.807SS**  trans-83.4118.5143.6-85.4-90.7000105.7
135D35.6Very low36.8Very low154 Ų154160.4 Ų160.482%0.82480%0.803SS**  trans-132129.9140.9-134.1-6.2000110.4
136D39.4Very low36.4Very low122 Ų122163.6 Ų163.665%0.65281%0.806SS**  trans-78.8151-180-168.623.8000108.4
137D32.9Very low36.3Very low163 Ų163163.8 Ų163.887%0.87281%0.807SS**  trans-174.283.6143.8-98.1-25.5000106.5
138D42.7Very low36.2Very low133 Ų133164.5 Ų164.571%0.71181%0.81SS**  trans-54.6132.7141.5-113.1-23.2000108.8
139D36.7Very low36Very low167 Ų167162.6 Ų162.689%0.89381%0.806SS**  -157.7134.1127.6-120.7-19.8000111.6
140D40.7Very low36.1Very low140 Ų140162.2 Ų162.275%0.74980%0.804SS**  trans-99.5152.5-179.7-136.6-12.3000108.8
141D38.2Very low36.4Very low150 Ų150161.2 Ų161.280%0.80281%0.805SS**  trans57.2119159.1-97.3-20.6000122.1
142D33.3Very low36.6Very low149 Ų149163.9 Ų163.980%0.79780%0.804SS**  163.2145.495.1-158.610.9000112
143D41.5Very low37.1Very low129 Ų129162.5 Ų162.569%0.6980%0.801SS**  trans-54.1125.8179.1171.337000114.5
144K34.1Very low37.7Very low199 Ų199160.7 Ų160.787%0.86580%0.798SS**  trans-157.5115.5135.4-69.3-155.7-174.2165.60113
145N37.3Very low38.2Very low116 Ų116156.1 Ų156.162%0.6279%0.793SS**  trans-38134.5155.9-176.713.7000114.4
146Y33Very low39.1Very low214 Ų214156.3 Ų156.384%0.83979%0.787SS**  -177.9145.2128.2-85.5-65.2000111
147E37.4Very low39.6Very low173 Ų173160 Ų16081%0.80880%0.797SS**  trans-57.8143.5-173.2-58.3165.9147.900115.7
148E31.4Very low40.8Very low189 Ų189161.7 Ų161.788%0.88380%0.796SS**  163.6149.4111.6-103-178.5166.700113.1
149D38.8Very low41.4Very low146 Ų146164.8 Ų164.878%0.78180%0.803SS**  trans-42.3134.6-176.9-71.4-49.6000117.8
150Q34.2Very low42.3Very low187 Ų187165.9 Ų165.987%0.87481%0.808SS**  -172.4125.1124.1-103.3158.278.500112.7Y152Q150-Y152 PolarHBondContact O-N 3.28Å
151D45.3Very low43.2Very low167 Ų167162.2 Ų162.289%0.89380%0.804SS**  trans-52.2102.1170.8-77-53.8000112.2
152Y35.6Very low44.6Very low218 Ų218164.8 Ų164.886%0.85581%0.808SS**  trans-106.297.7166-131.8-91.4000109.3Q150 P154Q150-Y152 PolarHBondContact O-N 3.28Å; Y152-P154 WeakPolarHBondContact O-CD 3.38Å
153V45.7Very low46Very low120 Ų120163.7 Ų163.773%0.72780%0.802SS**  trans-65.5118.7172.4-153.60000107.6V155V153-V155 PolarHBondContact O-N 2.65Å
154P43.3Very low47.2Very low112 Ų112163.5 Ų163.573%0.72781%0.808SS**  trans-69.3104.8-179.225.6-31.3000109.4Y152 K156Y152-P154 WeakPolarHBondContact O-CD 3.38Å; P154-K156 PolarHBondContact O-N 3.45Å
155V45.2Very low48.9Very low130 Ų130161.6 Ų161.679%0.78881%0.807SS**  trans-66100.6173.1-1760000107.7V153 K157V153-V155 PolarHBondContact O-N 2.65Å; V155-K157 PolarHBondContact O-N 2.94Å
156K53.9Low50.7Low159 Ų159160.3 Ų160.369%0.69180%0.803SS**  trans-57.6111.6171.5-68.5179.7-177.3169.40108.2P154 K158P154-K156 PolarHBondContact O-N 3.45Å; K156-K158 PolarHBondContact O-N 2.8Å
157K49.7Very low52.3Low198 Ų198155.9 Ų155.986%0.86179%0.794SS**  trans-54.6113.5172.2-68.7-178.7179.11770108V155 K159V155-K157 PolarHBondContact O-N 2.94Å; K157-K159 PolarHBondContact O-N 2.89Å
158K58.5Low53.9Low200 Ų200150.7 Ų150.787%0.8777%0.774SS**  trans-61.4112.8172.2-70.9-174.6178.6-175.70106.6K156 L160K156-K158 PolarHBondContact O-N 2.8Å; K158-L160 PolarHBondContact O-N 3.4Å
159K56.8Low55.6Low197 Ų197144.9 Ų144.986%0.85776%0.755SS**  trans-50.3129.6173.3-68.6-177.4176.1-175.60107.7K157 G161K157-K159 PolarHBondContact O-N 2.89Å; K159-G161 PolarHBondContact O-N 3.04Å
160L54.1Low56.8Low190 Ų190147.3 Ų147.3100%0.99576%0.759SS**  trans-54.2107.1167.9-109.279.6000106.9K158K158-L160 PolarHBondContact O-N 3.4Å
161G60.8Low58.7Low64 Ų64144 Ų14466%0.6675%0.746SS**  trans-131.3148.7-172.800000109.4K159K159-G161 PolarHBondContact O-N 3.04Å
162K66.1Low59.7Low204 Ų204142.4 Ų142.489%0.88775%0.745SS**SBendtrans-34.3149.1-178.2-58173-177-1800113.9
163N63.7Low61.5Low125 Ų125135.2 Ų135.267%0.66872%0.722SS**  trans-29.5127.9-176.9-79.6-12.9000114.6D165 V166N163-D165 PolarHBondContact O-N 3.14Å; N163-D165 VanDerWaalsContact O-N 3.1Å; N163-V166 HydrophobicContact CB-CG2 4.13Å; N163-V166 PolarHBondContact O-N 3.1Å; N163-V166 VanDerWaalsContact O-N 3.14Å
164P67.1Low62.8Low125 Ų125137.7 Ų137.781%0.81272%0.718SS**THydrogen-bonded Turntrans-66.9-12.3-175.527.4-35.2000114.6
165D70.2Confident64.4Low159 Ų159136 Ų13685%0.8570%0.703SS**THydrogen-bonded Turntrans-88.1-3.6177.6-68.1-34.7000113.9N163N163-D165 PolarHBondContact O-N 3.14Å; N163-D165 VanDerWaalsContact O-N 3.1Å
166V74.5Confident66Low89 Ų89134.8 Ų134.854%0.53968%0.684SS.*SBendtrans-82.8119.1175.9178.70000108.8N163 T168N163-V166 HydrophobicContact CB-CG2 4.13Å; N163-V166 PolarHBondContact O-N 3.1Å; N163-V166 VanDerWaalsContact O-N 3.14Å; V166-T168 PolarHBondContact O-N 3.01Å
167D67.1Low67.2Low122 Ų122133.3 Ų133.365%0.65268%0.679SS**  trans-62.2107.7178.1-177.413.2000111.6S169D167-S169 WeakPolarHBondContact OD1-CB 3.3Å; D167-S169 PolarHBondContact OD1-N 2.95Å; D167-S169 PolarHBondContact OD1-OG 3.21Å; D167-S169 PolarHBondContact OD2-OG 3.15Å
168T70.1Confident68.6Low63 Ų63128.8 Ų128.839%0.38766%0.661SS.*  trans-95.612.3176.358.80000113V166 F170 L171 R176V166-T168 PolarHBondContact O-N 3.01Å; T168-F170 PolarHBondContact O-N 3.08Å; T168-F170 VanDerWaalsContact O-N 3.08Å; T168-L171 HydrophobicContact CG2-CD1 4.23Å; T168-L171 PolarHBondContact O-N 3.32Å; T168-R176 PolarHBondContact O-NH1 2.95Å
169S66.9Low69.8Low68 Ų68124.7 Ų124.748%0.47665%0.645SS.*THydrogen-bonded Turntrans-56.2-23.3179.364.20000114.9D167 R176D167-S169 WeakPolarHBondContact OD1-CB 3.3Å; D167-S169 PolarHBondContact OD1-N 2.95Å; D167-S169 PolarHBondContact OD1-OG 3.21Å; D167-S169 PolarHBondContact OD2-OG 3.15Å; S169-R176 VanDerWaalsContact CA-NH1 3.31Å
170F64.6Low71.1Confident197 Ų197121.2 Ų121.286%0.86463%0.632SS**THydrogen-bonded Turntrans-85.9-11.8179.3-169-106000114.2T168T168-F170 PolarHBondContact O-N 3.08Å; T168-F170 VanDerWaalsContact O-N 3.08Å
171L73.6Confident72.5Confident116 Ų116115.9 Ų115.961%0.60760%0.604SS**SBendtrans-86.1133176.9-80144.8000109.9T168 D173T168-L171 HydrophobicContact CG2-CD1 4.23Å; T168-L171 PolarHBondContact O-N 3.32Å; L171-D173 PolarHBondContact O-N 2.87Å
172P66.3Low73.9Confident134 Ų134118.7 Ų118.787%0.8760%0.595SS**  trans-58.9101.8168.4-22.833.6000109.7
173D73.1Confident75Confident68 Ų68113.8 Ų113.836%0.36458%0.578SS.*  trans-111.3108.4-180-172.4-12.7000108.3L171 D175 R176 E177L171-D173 PolarHBondContact O-N 2.87Å; D173-D175 PolarHBondContact O-N 3.27Å; D173-D175 PolarHBondContact OD1-N 3.06Å; D173-D175 VanDerWaalsContact OD1-N 3.08Å; D173-R176 HydrophobicContact CB-CB 3.86Å; D173-R176 PolarHBondContact O-N 2.88Å; D173-E177 PolarHBondContact O-N 3.39Å
174R73.3Confident76.2Confident172 Ų172115.2 Ų115.265%0.64957%0.574SS**Hα-helixtrans-60.8-34.2-177.7-172.8-175.966.5143.54.2111.6E178R174-E178 VanDerWaalsContact O-CB 3.3Å; R174-E178 WeakPolarHBondContact O-CB 3.46Å; R174-E178 PolarHBondContact O-N 2.86Å
175D77.3Confident77.3Confident76 Ų76114.6 Ų114.641%0.40656%0.56SS.*Hα-helixtrans-76.2-32.7-177.8-63.4-8.1000110D173 E179D173-D175 PolarHBondContact O-N 3.27Å; D173-D175 PolarHBondContact OD1-N 3.06Å; D173-D175 VanDerWaalsContact OD1-N 3.08Å; D175-E179 WeakPolarHBondContact O-CG 3.39Å; D175-E179 PolarHBondContact O-N 3.36Å
176R78.1Confident78.4Confident104 Ų104112.4 Ų112.439%0.39255%0.545SS..Hα-helixtrans-70-42172.1-176.2-178-110144.1-7.2112.7T168 S169 D173 E178 E179 E180T168-R176 PolarHBondContact O-NH1 2.95Å; S169-R176 VanDerWaalsContact CA-NH1 3.31Å; D173-R176 HydrophobicContact CB-CB 3.86Å; D173-R176 PolarHBondContact O-N 2.88Å; R176-E178 VanDerWaalsContact C-N 3.3Å; R176-E179 WeakPolarHBondContact O-CB 3.25Å; R176-E179 PolarHBondContact O-N 2.87Å; R176-E180 PolarHBondContact O-N 2.88Å
177E78.6Confident79.3Confident128 Ų128112.9 Ų112.960%0.59854%0.544SS*.Hα-helixtrans-66.9-34.4177.1-162.5176.4-154.200111.1D173 N181D173-E177 PolarHBondContact O-N 3.39Å; E177-N181 WeakPolarHBondContact O-CB 3.47Å; E177-N181 VanDerWaalsContact O-CG 3.28Å; E177-N181 PolarHBondContact O-N 3.22Å; E177-N181 PolarHBondContact O-ND2 3.01Å; E177-N181 VanDerWaalsContact O-ND2 3.15Å
178E80.9Confident80.4Confident104 Ų104113.7 Ų113.749%0.48654%0.538SS..Hα-helixtrans-66.8-42171.3-171.1168.4-156.200111.6R174 R176 N181 R182R174-E178 VanDerWaalsContact O-CB 3.3Å; R174-E178 WeakPolarHBondContact O-CB 3.46Å; R174-E178 PolarHBondContact O-N 2.86Å; R176-E178 VanDerWaalsContact C-N 3.3Å; E178-N181 PolarHBondContact O-N 2.99Å; E178-R182 WeakPolarHBondContact O-CG 3.33Å; E178-R182 PolarHBondContact O-N 2.94Å
179E82.9Confident81.4Confident113 Ų113116.1 Ų116.153%0.52855%0.545SS..Hα-helixtrans-60.7-44.1172-84.6174-172.900113.2D175 R176 N181 R182 L183D175-E179 WeakPolarHBondContact O-CG 3.39Å; D175-E179 PolarHBondContact O-N 3.36Å; R176-E179 WeakPolarHBondContact O-CB 3.25Å; R176-E179 PolarHBondContact O-N 2.87Å; E179-N181 VanDerWaalsContact C-N 3.35Å; E179-R182 PolarHBondContact O-N 3.16Å; E179-R182 IonicContact OE1-NH2 2.78Å; E179-L183 WeakPolarHBondContact O-CB 3.38Å; E179-L183 PolarHBondContact O-N 3.44Å
180E83Confident82.7Confident124 Ų124117.5 Ų117.558%0.57954%0.544SS*.Hα-helixtrans-63.9-41.1176.3-171.4-179.6161.900111.4R176 L183 R184R176-E180 PolarHBondContact O-N 2.88Å; E180-L183 PolarHBondContact O-N 2.92Å; E180-R184 VanDerWaalsContact O-CB 3.25Å; E180-R184 WeakPolarHBondContact O-CB 3.33Å; E180-R184 PolarHBondContact O-N 3.28Å
181N83.8Confident83.9Confident78 Ų78115.4 Ų115.442%0.41753%0.53SS..Hα-helixtrans-65.2-44175.8-77.7-33000112E177 E178 E179 R184 E185E177-N181 WeakPolarHBondContact O-CB 3.47Å; E177-N181 VanDerWaalsContact O-CG 3.28Å; E177-N181 PolarHBondContact O-N 3.22Å; E177-N181 PolarHBondContact O-ND2 3.01Å; E177-N181 VanDerWaalsContact O-ND2 3.15Å; E178-N181 PolarHBondContact O-N 2.99Å; E179-N181 VanDerWaalsContact C-N 3.35Å; N181-R184 WeakPolarHBondContact O-CB 3.36Å; N181-R184 PolarHBondContact O-N 3.04Å; N181-E185 WeakPolarHBondContact O-CG 3.46Å; N181-E185 PolarHBondContact O-N 2.98Å
182R90.6Very high84.6Confident124 Ų124115 Ų11547%0.46853%0.525SS..Hα-helixtrans-59-48.3174.1-72.8-170.2-50.4-146.16111.3E178 E179 R184 E185 E186E178-R182 WeakPolarHBondContact O-CG 3.33Å; E178-R182 PolarHBondContact O-N 2.94Å; E179-R182 PolarHBondContact O-N 3.16Å; E179-R182 IonicContact OE1-NH2 2.78Å; R182-R184 VanDerWaalsContact C-N 3.27Å; R182-R184 PolarHBondContact O-N 2.86Å; R182-E185 PolarHBondContact O-N 3.28Å; R182-E185 VanDerWaalsContact O-N 3.13Å; R182-E186 WeakPolarHBondContact O-CG 3.48Å; R182-E186 PolarHBondContact O-N 3.23Å
183L89.6Confident85.8Confident100 Ų100113.8 Ų113.852%0.52451%0.511SS..Hα-helixtrans-60.3-40.1178-167.4114.1000111E179 E180 E186 L187E179-L183 WeakPolarHBondContact O-CB 3.38Å; E179-L183 PolarHBondContact O-N 3.44Å; E180-L183 PolarHBondContact O-N 2.92Å; L183-E186 PolarHBondContact O-N 3.08Å; L183-L187 HydrophobicContact CD2-CD1 3.55Å; L183-L187 HydrophobicContact CG-CD1 3.94Å; L183-L187 WeakPolarHBondContact O-CB 3.48Å; L183-L187 WeakPolarHBondContact O-CD1 3.48Å; L183-L187 PolarHBondContact O-N 3.35Å
184R89.7Confident86.5Confident155 Ų155116 Ų11659%0.58552%0.517SS*.Hα-helixtrans-66.2-36.8176.7-166.8176-166.2174.86.3112.7E180 N181 R182 R188E180-R184 VanDerWaalsContact O-CB 3.25Å; E180-R184 WeakPolarHBondContact O-CB 3.33Å; E180-R184 PolarHBondContact O-N 3.28Å; N181-R184 WeakPolarHBondContact O-CB 3.36Å; N181-R184 PolarHBondContact O-N 3.04Å; R182-R184 VanDerWaalsContact C-N 3.27Å; R182-R184 PolarHBondContact O-N 2.86Å; R184-R188 WeakPolarHBondContact O-CB 3.38Å; R184-R188 PolarHBondContact O-N 2.89Å
185E88.5Confident87Confident113 Ų113109.5 Ų109.553%0.52849%0.494SS..Hα-helixtrans-69.2-44174-74.2178.3-174.500111.6N181 R182 R188 Q189N181-E185 WeakPolarHBondContact O-CG 3.46Å; N181-E185 PolarHBondContact O-N 2.98Å; R182-E185 PolarHBondContact O-N 3.28Å; R182-E185 VanDerWaalsContact O-N 3.13Å; E185-R188 WeakPolarHBondContact O-CB 3.4Å; E185-R188 PolarHBondContact O-N 3.22Å; E185-Q189 WeakPolarHBondContact O-CG 3.44Å; E185-Q189 PolarHBondContact O-N 3.32Å
186E93.9Very high87.5Confident112 Ų112111.2 Ų111.252%0.52350%0.5SS..Hα-helixtrans-59-48.8174.1-73173.3-176.800111.2R182 L183 R188 Q189 E190R182-E186 WeakPolarHBondContact O-CG 3.48Å; R182-E186 PolarHBondContact O-N 3.23Å; L183-E186 PolarHBondContact O-N 3.08Å; E186-R188 VanDerWaalsContact C-N 3.27Å; E186-R188 PolarHBondContact O-N 3.19Å; E186-Q189 PolarHBondContact O-N 3.18Å; E186-E190 WeakPolarHBondContact O-CB 3.25Å; E186-E190 WeakPolarHBondContact O-CG 3.35Å; E186-E190 PolarHBondContact O-N 2.88Å
187L92.5Very high88.1Confident99 Ų99113.4 Ų113.452%0.51851%0.512SS..Hα-helixtrans-59.7-36.4175.5-89.4145.9000112.4L183 W191L183-L187 HydrophobicContact CD2-CD1 3.55Å; L183-L187 HydrophobicContact CG-CD1 3.94Å; L183-L187 WeakPolarHBondContact O-CB 3.48Å; L183-L187 WeakPolarHBondContact O-CD1 3.48Å; L183-L187 PolarHBondContact O-N 3.35Å; L187-W191 VanDerWaalsContact O-CB 3.27Å; L187-W191 WeakPolarHBondContact O-CB 3.39Å; L187-W191 PolarHBondContact O-N 3.41Å
188R91.1Very high88.4Confident139 Ų139110 Ų11053%0.52550%0.498SS..Hα-helixtrans-67-46.9175.4-174.3-166.3-53.9-92.90.2111R184 E185 E186 W191 E192R184-R188 WeakPolarHBondContact O-CB 3.38Å; R184-R188 PolarHBondContact O-N 2.89Å; E185-R188 WeakPolarHBondContact O-CB 3.4Å; E185-R188 PolarHBondContact O-N 3.22Å; E186-R188 VanDerWaalsContact C-N 3.27Å; E186-R188 PolarHBondContact O-N 3.19Å; R188-W191 WeakPolarHBondContact O-CB 3.34Å; R188-W191 PolarHBondContact O-N 2.89Å; R188-E192 WeakPolarHBondContact O-CG 3.37Å; R188-E192 PolarHBondContact O-N 3.06Å
189Q91.8Very high88.8Confident114 Ų114109.2 Ų109.253%0.53349%0.492SS..Hα-helixtrans-63.5-45177.9-70.4176.521.100111.1E185 E186 W191 E192 L193E185-Q189 WeakPolarHBondContact O-CG 3.44Å; E185-Q189 PolarHBondContact O-N 3.32Å; E186-Q189 PolarHBondContact O-N 3.18Å; Q189-W191 VanDerWaalsContact C-N 3.27Å; Q189-W191 PolarHBondContact O-N 2.84Å; Q189-E192 PolarHBondContact O-N 2.71Å; Q189-L193 WeakPolarHBondContact O-CB 3.37Å; Q189-L193 VanDerWaalsContact O-CG 3.29Å; Q189-L193 WeakPolarHBondContact O-CG 3.37Å; Q189-L193 PolarHBondContact O-N 3.36Å
190E93.5Very high89.1Confident98 Ų98107 Ų10746%0.45848%0.484SS..Hα-helixtrans-58.2-41.6173.9-79.9-161.9-173.400111.9E186 K194E186-E190 WeakPolarHBondContact O-CB 3.25Å; E186-E190 WeakPolarHBondContact O-CG 3.35Å; E186-E190 PolarHBondContact O-N 2.88Å; E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 WeakPolarHBondContact O-CD 3.29Å; E190-K194 WeakPolarHBondContact O-CG 3.44Å; E190-K194 PolarHBondContact O-N 3.13Å; E190-K194 IonicContact OE2-NZ 2.86Å; E190-K194 PolarHBondContact OE2-NZ 3.21Å
191W89.9Confident89.3Confident153 Ų153104.8 Ų104.858%0.5847%0.474SS*.Hα-helixtrans-63.9-47.5176.9-179.181.5000110.8L187 R188 Q189 L193 K194 Q195L187-W191 VanDerWaalsContact O-CB 3.27Å; L187-W191 WeakPolarHBondContact O-CB 3.39Å; L187-W191 PolarHBondContact O-N 3.41Å; R188-W191 WeakPolarHBondContact O-CB 3.34Å; R188-W191 PolarHBondContact O-N 2.89Å; Q189-W191 VanDerWaalsContact C-N 3.27Å; Q189-W191 PolarHBondContact O-N 2.84Å; W191-L193 PolarHBondContact O-N 3.33Å; W191-K194 PolarHBondContact O-N 3.03Å; W191-Q195 HydrophobicContact CD2-CG 3.92Å; W191-Q195 HydrophobicContact CE3-CG 4.19Å; W191-Q195 HydrophobicContact CG-CG 4.49Å; W191-Q195 HydrophobicContact CH2-CG 4.15Å; W191-Q195 HydrophobicContact CZ2-CG 3.88Å; W191-Q195 HydrophobicContact CZ3-CG 4.3Å; W191-Q195 WeakPolarHBondContact O-CB 3.36Å; W191-Q195 WeakPolarHBondContact O-CG 3.22Å; W191-Q195 PolarHBondContact O-N 3.41Å
192E89Confident89.5Confident107 Ų107108.3 Ų108.350%0.549%0.488SS..Hα-helixtrans-60.5-43.1176.5-74.5177.7-174.500112.5R188 Q189 Q195 E196R188-E192 WeakPolarHBondContact O-CG 3.37Å; R188-E192 PolarHBondContact O-N 3.06Å; Q189-E192 PolarHBondContact O-N 2.71Å; E192-Q195 WeakPolarHBondContact O-CB 3.45Å; E192-Q195 PolarHBondContact O-N 3.01Å; E192-E196 WeakPolarHBondContact O-CB 3.31Å; E192-E196 PolarHBondContact O-N 2.95Å
193L89.9Confident89.2Confident108 Ų108103 Ų10357%0.56547%0.469SS*.Hα-helixtrans-63.9-41.8175.9-73.4171.2000111.8Q189 W191 Q195 E196 K197Q189-L193 WeakPolarHBondContact O-CB 3.37Å; Q189-L193 VanDerWaalsContact O-CG 3.29Å; Q189-L193 WeakPolarHBondContact O-CG 3.37Å; Q189-L193 PolarHBondContact O-N 3.36Å; W191-L193 PolarHBondContact O-N 3.33Å; L193-Q195 VanDerWaalsContact C-N 3.35Å; L193-E196 PolarHBondContact O-N 2.77Å; L193-K197 VanDerWaalsContact O-CB 3.29Å; L193-K197 WeakPolarHBondContact O-CB 3.47Å; L193-K197 PolarHBondContact O-N 2.88Å
194K88Confident89.1Confident114 Ų114102.9 Ų102.950%0.49647%0.465SS..Hα-helixtrans-63.8-42174.5-73.8165.7-168.4158.60110.7E190 W191 K197 I198E190-K194 WeakPolarHBondContact O-CB 3.41Å; E190-K194 WeakPolarHBondContact O-CD 3.29Å; E190-K194 WeakPolarHBondContact O-CG 3.44Å; E190-K194 PolarHBondContact O-N 3.13Å; E190-K194 IonicContact OE2-NZ 2.86Å; E190-K194 PolarHBondContact OE2-NZ 3.21Å; W191-K194 PolarHBondContact O-N 3.03Å; K194-K197 PolarHBondContact O-N 3.44Å; K194-I198 VanDerWaalsContact O-CG1 3.31Å; K194-I198 WeakPolarHBondContact O-CG1 3.19Å; K194-I198 PolarHBondContact O-N 3.01Å
195Q84.8Confident88.8Confident36 Ų3695.8 Ų95.817%0.16844%0.439CS..Hα-helixtrans-60.9-47.6175-69.1-73.3-62.900111.3W191 E192 L193 K197 I198 K199 Y269W191-Q195 HydrophobicContact CD2-CG 3.92Å; W191-Q195 HydrophobicContact CE3-CG 4.19Å; W191-Q195 HydrophobicContact CG-CG 4.49Å; W191-Q195 HydrophobicContact CH2-CG 4.15Å; W191-Q195 HydrophobicContact CZ2-CG 3.88Å; W191-Q195 HydrophobicContact CZ3-CG 4.3Å; W191-Q195 WeakPolarHBondContact O-CB 3.36Å; W191-Q195 WeakPolarHBondContact O-CG 3.22Å; W191-Q195 PolarHBondContact O-N 3.41Å; E192-Q195 WeakPolarHBondContact O-CB 3.45Å; E192-Q195 PolarHBondContact O-N 3.01Å; L193-Q195 VanDerWaalsContact C-N 3.35Å; Q195-K197 VanDerWaalsContact C-N 3.35Å; Q195-I198 PolarHBondContact O-N 3.23Å; Q195-K199 WeakPolarHBondContact O-CB 3.42Å; Q195-K199 VanDerWaalsContact O-CG 3.27Å; Q195-K199 WeakPolarHBondContact O-CG 3.41Å; Q195-K199 PolarHBondContact O-N 3.28Å; Q195-Y269 PolarHBondContact NE2-OH 3.44Å; Q195-Y269 VanDerWaalsContact OE1-CZ 3.23Å; Q195-Y269 PolarHBondContact OE1-OH 3.26Å
196E88.1Confident88.7Confident112 Ų11293.4 Ų93.452%0.52343%0.432SS..Hα-helixtrans-64.6-39.8179.2-176.9173.4-157.600111.7E192 L193 K199 N200E192-E196 WeakPolarHBondContact O-CB 3.31Å; E192-E196 PolarHBondContact O-N 2.95Å; L193-E196 PolarHBondContact O-N 2.77Å; E196-K199 PolarHBondContact O-N 3.5Å; E196-N200 WeakPolarHBondContact CG-ND2 3.47Å; E196-N200 VanDerWaalsContact O-CB 3.31Å; E196-N200 WeakPolarHBondContact O-CB 3.47Å; E196-N200 PolarHBondContact O-N 3.5Å; E196-N200 PolarHBondContact O-ND2 2.94Å
197K89.3Confident88.5Confident151 Ų15188 Ų8866%0.65741%0.407SS*.Hα-helixtrans-59.1-49.4174.7-171.6175.6-178.4179.10111.1L193 K194 Q195 K199 N200 E201L193-K197 VanDerWaalsContact O-CB 3.29Å; L193-K197 WeakPolarHBondContact O-CB 3.47Å; L193-K197 PolarHBondContact O-N 2.88Å; K194-K197 PolarHBondContact O-N 3.44Å; Q195-K197 VanDerWaalsContact C-N 3.35Å; K197-K199 VanDerWaalsContact C-N 3.33Å; K197-K199 PolarHBondContact O-N 2.9Å; K197-N200 PolarHBondContact O-N 2.66Å; K197-N200 VanDerWaalsContact O-N 3.17Å; K197-E201 PolarHBondContact O-N 2.87Å; K197-E201 VanDerWaalsContact O-N 3.16Å
198I86.3Confident88.3Confident56 Ų5683.8 Ų83.829%0.28739%0.386SS..Hα-helixtrans-64.5-39.3177.8-59.9163000110.7K194 Q195 N200 E201 K223 Y269K194-I198 VanDerWaalsContact O-CG1 3.31Å; K194-I198 WeakPolarHBondContact O-CG1 3.19Å; K194-I198 PolarHBondContact O-N 3.01Å; Q195-I198 PolarHBondContact O-N 3.23Å; I198-N200 VanDerWaalsContact C-N 3.28Å; I198-N200 PolarHBondContact O-N 3.34Å; I198-E201 WeakPolarHBondContact O-CB 3.47Å; I198-E201 PolarHBondContact O-N 3.34Å; I198-K223 HydrophobicContact CG2-CD 4.25Å; I198-K223 WeakPolarHBondContact O-CB 3.46Å; I198-K223 WeakPolarHBondContact O-CD 3.39Å; I198-K223 VanDerWaalsContact O-CG 3.24Å; I198-K223 WeakPolarHBondContact O-CG 3.39Å; I198-Y269 HydrophobicContact CB-CD2 4.43Å; I198-Y269 HydrophobicContact CB-CE2 3.86Å; I198-Y269 HydrophobicContact CG2-CD2 3.85Å; I198-Y269 HydrophobicContact CG2-CE2 3.51Å
199K88Confident88.2Confident87 Ų8777.4 Ų77.438%0.37836%0.362SS..Hα-helixtrans-63.7-34.2175.7-75.6173.5-176.5178.60112.3Q195 E196 K197 K223 G224 Y269Q195-K199 WeakPolarHBondContact O-CB 3.42Å; Q195-K199 VanDerWaalsContact O-CG 3.27Å; Q195-K199 WeakPolarHBondContact O-CG 3.41Å; Q195-K199 PolarHBondContact O-N 3.28Å; E196-K199 PolarHBondContact O-N 3.5Å; K197-K199 VanDerWaalsContact C-N 3.33Å; K197-K199 PolarHBondContact O-N 2.9Å; K199-K223 PolarHBondContact O-N 3.23Å; K199-G224 PolarHBondContact O-N 3.36Å; K199-Y269 HydrophobicContact CG-CD1 4.28Å; K199-Y269 HydrophobicContact CG-CD2 3.7Å; K199-Y269 HydrophobicContact CG-CE2 4.19Å; K199-Y269 HydrophobicContact CG-CG 3.78Å
200N89.3Confident87.8Confident67 Ų6774.9 Ų74.936%0.35835%0.347SS..Hα-helixtrans-80.6-14.4-179.6-85-44.9000114.3E196 K197 I198 E202 K222E196-N200 WeakPolarHBondContact CG-ND2 3.47Å; E196-N200 VanDerWaalsContact O-CB 3.31Å; E196-N200 WeakPolarHBondContact O-CB 3.47Å; E196-N200 PolarHBondContact O-N 3.5Å; E196-N200 PolarHBondContact O-ND2 2.94Å; K197-N200 PolarHBondContact O-N 2.66Å; K197-N200 VanDerWaalsContact O-N 3.17Å; I198-N200 VanDerWaalsContact C-N 3.28Å; I198-N200 PolarHBondContact O-N 3.34Å; N200-E202 PolarHBondContact O-N 3.45Å; N200-K222 PolarHBondContact OD1-NZ 3.15Å
201E88.3Confident87.1Confident78 Ų7873 Ų7336%0.36434%0.34SS..SBendtrans-56.6132.4174-72.9166.8-167.900110.6K197 I198 K222 K223K197-E201 PolarHBondContact O-N 2.87Å; K197-E201 VanDerWaalsContact O-N 3.16Å; I198-E201 WeakPolarHBondContact O-CB 3.47Å; I198-E201 PolarHBondContact O-N 3.34Å; E201-K222 CarbonylContact O-C 3.54Å; E201-K222 WeakPolarHBondContact O-CA 3.47Å; E201-K223 HydrophobicContact CB-CD 3.83Å; E201-K223 HydrophobicContact CB-CG 3.86Å; E201-K223 WeakPolarHBondContact O-CG 3.29Å; E201-K223 PolarHBondContact O-N 3.25Å; E201-K223 WeakPolarHBondContact OE2-CE 3.24Å; E201-K223 IonicContact OE2-NZ 3.84Å; E201-K223 PolarHBondContact OE2-NZ 2.85Å
202E87.1Confident86.3Confident152 Ų15268.3 Ų68.371%0.7134%0.34SS*.EExtended strand (participates in β ladder)trans-82.1139.5178.4-63.2-172168.700110.5N200 M221N200-E202 PolarHBondContact O-N 3.45Å; E202-M221 CarbonylContact C-O 3.56Å
203I84.9Confident85.6Confident12 Ų1266.4 Ų66.46%0.06234%0.338CS..EExtended strand (participates in β ladder)trans-126.5138.9177.7-70.7173.4000108.1I205 K220 M221 K223 I272 F286I203-I205 HydrophobicContact CG2-CD1 4.35Å; I203-I205 HydrophobicContact CG2-CG1 3.58Å; I203-K220 WeakPolarHBondContact O-CA 3.49Å; I203-M221 PolarHBondContact N-O 2.96Å; I203-M221 PolarHBondContact O-N 3.4Å; I203-M221 VanDerWaalsContact O-O 3.06Å; I203-K223 HydrophobicContact CD1-CB 3.86Å; I203-K223 HydrophobicContact CD1-CD 3.6Å; I203-K223 VanDerWaalsContact CD1-CE 3.49Å; I203-K223 HydrophobicContact CD1-CG 3.33Å; I203-K223 HydrophobicContact CG1-CD 4.05Å; I203-K223 VanDerWaalsContact CG1-CE 3.47Å; I203-K223 HydrophobicContact CG1-CG 3.72Å; I203-I272 HydrophobicContact CD1-CD1 3.84Å; I203-F286 HydrophobicContact CB-CD1 4.41Å; I203-F286 HydrophobicContact CB-CE1 4.33Å; I203-F286 HydrophobicContact CD1-CB 4.43Å; I203-F286 HydrophobicContact CD1-CD1 3.84Å; I203-F286 HydrophobicContact CD1-CD2 3.85Å; I203-F286 HydrophobicContact CD1-CE1 3.92Å; I203-F286 HydrophobicContact CD1-CE2 3.83Å; I203-F286 HydrophobicContact CD1-CG 3.79Å; I203-F286 HydrophobicContact CD1-CZ 3.86Å; I203-F286 HydrophobicContact CG1-CD1 4.1Å; I203-F286 HydrophobicContact CG1-CE1 4.37Å; I203-F286 HydrophobicContact CG1-CG 4.34Å; I203-F286 HydrophobicContact CG2-CD1 3.39Å; I203-F286 HydrophobicContact CG2-CE1 3.08Å; I203-F286 HydrophobicContact CG2-CG 4.36Å; I203-F286 HydrophobicContact CG2-CZ 3.8Å
204E86.3Confident85Confident97 Ų9763.1 Ų63.145%0.45333%0.33SS..EExtended strand (participates in β ladder)trans-92.2117.1163.5-174.6160.2-176.100110.4T218 K220E204-T218 WeakPolarHBondContact OE1-CB 3.32Å; E204-T218 PolarHBondContact OE1-OG1 3.21Å; E204-K220 HydrophobicContact CB-CG 4.32Å; E204-K220 HydrophobicContact CG-CG 4.29Å; E204-K220 VanDerWaalsContact OE2-CE 3.25Å; E204-K220 WeakPolarHBondContact OE2-CE 3.15Å; E204-K220 IonicContact OE2-NZ 3.88Å
205I84.9Confident84.7Confident6 Ų660.7 Ų60.73%0.03132%0.321CS..EExtended strand (participates in β ladder)trans-105.7117.6179.5-56.7174.5000108.2I203 V219 M221 F230 F268 F286I203-I205 HydrophobicContact CG2-CD1 4.35Å; I203-I205 HydrophobicContact CG2-CG1 3.58Å; I205-V219 PolarHBondContact N-O 3Å; I205-V219 PolarHBondContact O-N 3.46Å; I205-M221 HydrophobicContact CD1-CG 3.96Å; I205-M221 HydrophobicContact CD1-SD 3.95Å; I205-F230 HydrophobicContact CB-CD2 4.35Å; I205-F230 HydrophobicContact CB-CE2 3.92Å; I205-F230 HydrophobicContact CD1-CD2 3.93Å; I205-F230 HydrophobicContact CD1-CE2 4.33Å; I205-F230 HydrophobicContact CG2-CD2 4.23Å; I205-F230 HydrophobicContact CG2-CE2 3.58Å; I205-F230 HydrophobicContact CG2-CZ 4.19Å; I205-F268 HydrophobicContact CD1-CD1 3.78Å; I205-F268 HydrophobicContact CD1-CD2 3.87Å; I205-F268 HydrophobicContact CD1-CE1 3.45Å; I205-F268 VanDerWaalsContact CD1-CE1 3.45Å; I205-F268 HydrophobicContact CD1-CE2 3.56Å; I205-F268 HydrophobicContact CD1-CG 3.98Å; I205-F268 HydrophobicContact CD1-CZ 3.34Å; I205-F286 HydrophobicContact CG1-CE1 4.44Å
206T86.6Confident84.7Confident63 Ų6368.4 Ų68.439%0.38735%0.348SS..EExtended strand (participates in β ladder)trans-85.5124170-56.20000109.5T218 A307 G308T206-T218 HydrophobicContact CG2-CG2 4.14Å; T206-A307 HydrophobicContact CG2-CB 3.88Å; T206-G308 PolarHBondContact O-N 3.15Å
207F88.8Confident84.6Confident0 Ų065 Ų650%033%0.332CS..EExtended strand (participates in β ladder)trans-131.3159.6174.371.5-87.9000111.7R216 K217 V219 F230 A234 L238 Y255 G308 V310F207-R216 CarbonylContact O-C 3.58Å; F207-R216 WeakPolarHBondContact O-CA 3.17Å; F207-K217 HydrophobicContact CE1-CB 4.17Å; F207-K217 HydrophobicContact CE2-CB 4.25Å; F207-K217 HydrophobicContact CZ-CB 3.89Å; F207-K217 PolarHBondContact N-O 3.16Å; F207-K217 PolarHBondContact O-N 3.22Å; F207-V219 HydrophobicContact CE1-CB 4.08Å; F207-V219 HydrophobicContact CE1-CG2 3.56Å; F207-V219 HydrophobicContact CZ-CG2 4.26Å; F207-F230 HydrophobicContact CB-CZ 3.72Å; F207-F230 AromaticContact CD1-CE2 3.76Å; F207-F230 HydrophobicContact CD1-CE2 3.76Å; F207-F230 AromaticContact CD1-CZ 3.47Å; F207-F230 HydrophobicContact CD1-CZ 3.47Å; F207-F230 VanDerWaalsContact CD1-CZ 3.47Å; F207-F230 HydrophobicContact CD2-CZ 4.45Å; F207-F230 HydrophobicContact CE1-CE2 4.33Å; F207-F230 HydrophobicContact CE1-CZ 4.17Å; F207-F230 HydrophobicContact CG-CE2 4.36Å; F207-F230 AromaticContact CG-CZ 3.63Å; F207-F230 HydrophobicContact CG-CZ 3.63Å; F207-A234 HydrophobicContact CD2-CB 4.47Å; F207-A234 HydrophobicContact CE1-CB 3.85Å; F207-A234 HydrophobicContact CE2-CB 3.78Å; F207-A234 HydrophobicContact CZ-CB 3.42Å; F207-A234 VanDerWaalsContact CZ-CB 3.42Å; F207-L238 HydrophobicContact CE2-CD1 4.13Å; F207-L238 HydrophobicContact CE2-CD2 4.44Å; F207-L238 HydrophobicContact CE2-CG 4.3Å; F207-Y255 HydrophobicContact CB-CE2 4.43Å; F207-G308 CarbonylContact C-O 3.56Å; F207-G308 WeakPolarHBondContact CA-O 3.22Å; F207-G308 VanDerWaalsContact CB-O 3.29Å; F207-G308 WeakPolarHBondContact CB-O 3.35Å; F207-V310 HydrophobicContact CB-CG2 4.19Å; F207-V310 HydrophobicContact CD2-CB 4.26Å; F207-V310 HydrophobicContact CD2-CG2 3.57Å; F207-V310 HydrophobicContact CE2-CG2 4.29Å; F207-V310 HydrophobicContact CG-CG2 4.11Å
208S88.3Confident84.6Confident10 Ų1061.3 Ų61.37%0.0732%0.322CS..EExtended strand (participates in β ladder)trans-121.6120.9175.4-172.40000109.2G214 H215 G308 K309 V310S208-G214 WeakPolarHBondContact OG-CA 3.48Å; S208-H215 CarbonylContact C-O 3.59Å; S208-H215 VanDerWaalsContact CA-O 3.26Å; S208-H215 WeakPolarHBondContact CA-O 3.38Å; S208-H215 PolarHBondContact OG-N 2.75Å; S208-G308 PolarHBondContact N-O 2.89Å; S208-K309 CarbonylContact O-C 3.36Å; S208-K309 VanDerWaalsContact O-CA 3.27Å; S208-K309 WeakPolarHBondContact O-CA 3.44Å; S208-V310 PolarHBondContact O-N 3.4Å
209Y88.9Confident84.7Confident5 Ų559.3 Ų59.32%0.0231%0.313CS..EExtended strand (participates in β ladder)trans-68.9139.8164.4178.7-112.7000109.2D211 H215 L238 F242 L245 V310Y209-D211 HydrophobicContact CE1-CB 3.79Å; Y209-H215 PolarHBondContact N-O 2.8Å; Y209-H215 PolarHBondContact O-N 3.29Å; Y209-L238 HydrophobicContact CD2-CD1 3.81Å; Y209-L238 HydrophobicContact CG-CD1 3.93Å; Y209-L238 HydrophobicContact CG-CD2 4.08Å; Y209-F242 HydrophobicContact CD1-CD2 4.22Å; Y209-F242 AromaticContact CD1-CE2 3.97Å; Y209-F242 HydrophobicContact CD1-CE2 3.97Å; Y209-F242 HydrophobicContact CD1-CZ 4.22Å; Y209-F242 HydrophobicContact CE1-CD2 4.37Å; Y209-F242 HydrophobicContact CE1-CE2 4.43Å; Y209-F242 HydrophobicContact CE1-CG 4.42Å; Y209-L245 HydrophobicContact CD2-CD1 4.27Å; Y209-L245 HydrophobicContact CE1-CD1 4.12Å; Y209-L245 HydrophobicContact CE2-CD1 3.83Å; Y209-L245 HydrophobicContact CE2-CD2 4.02Å; Y209-L245 HydrophobicContact CE2-CG 4.44Å; Y209-V310 WeakPolarHBondContact CA-O 3.36Å; Y209-V310 HydrophobicContact CD2-CG1 4.39Å; Y209-V310 WeakPolarHBondContact CD2-O 3.38Å
210W83.5Confident84.8Confident60 Ų6061.7 Ų61.723%0.22732%0.323CS..EExtended strand (participates in β ladder)trans-130.6109.6-176.3-175.1-82.1000110.6V310 V311 W315W210-V310 PolarHBondContact N-O 3.33Å; W210-V311 HydrophobicContact CB-CG2 4.07Å; W210-W315 AromaticContact CD1-CE2 3.98Å; W210-W315 AromaticContact CD1-CH2 3.29Å; W210-W315 AromaticContact CD1-CZ2 3.38Å; W210-W315 AromaticContact CD1-CZ3 3.8Å; W210-W315 AromaticContact NE1-CH2 3.09Å; W210-W315 AromaticContact NE1-CZ2 3.18Å
211D79.1Confident84.9Confident58 Ų5858.8 Ų58.831%0.3131%0.307SS..SBendtrans-114.7-0.8173.455.98.7000112.2Y209 S213 H215 W315Y209-D211 HydrophobicContact CE1-CB 3.79Å; D211-S213 PolarHBondContact OD1-N 2.93Å; D211-S213 VanDerWaalsContact OD1-O 3.11Å; D211-H215 IonicContact OD2-NE2 2.79Å; D211-W315 PolarHBondContact O-NE1 2.89Å; D211-W315 VanDerWaalsContact O-NE1 3.17Å
212G72.4Confident85Confident55 Ų5559.1 Ų59.157%0.56731%0.307SS*.SBendtrans128.5-23.6-166.500000111.4
213S75.4Confident85.1Confident67 Ų6753 Ų5347%0.46928%0.279SS..SBendtrans-119.8151165.7-171.50000109.9D211D211-S213 PolarHBondContact OD1-N 2.93Å; D211-S213 VanDerWaalsContact OD1-O 3.11Å
214G77.5Confident85.2Confident39 Ų3953.8 Ų53.840%0.40229%0.29SS..EExtended strand (participates in β ladder)trans-93.3108.2-178.200000112.1S208S208-G214 WeakPolarHBondContact OG-CA 3.48Å
215H82Confident85.5Confident64 Ų6451.1 Ų51.130%0.29628%0.278SS..EExtended strand (participates in β ladder)trans-99.493.7175.9-63.7-78000111.4S208 Y209 D211 F242S208-H215 CarbonylContact C-O 3.59Å; S208-H215 VanDerWaalsContact CA-O 3.26Å; S208-H215 WeakPolarHBondContact CA-O 3.38Å; S208-H215 PolarHBondContact OG-N 2.75Å; Y209-H215 PolarHBondContact N-O 2.8Å; Y209-H215 PolarHBondContact O-N 3.29Å; D211-H215 IonicContact OD2-NE2 2.79Å; H215-F242 HydrophobicContact CB-CE2 4.49Å; H215-F242 HydrophobicContact CB-CZ 4.42Å; H215-F242 AromaticContact CD2-CZ 3.46Å; H215-F242 VanDerWaalsContact CD2-CZ 3.46Å; H215-F242 WeakPolarHBondContact CD2-CZ 3.27Å; H215-F242 AromaticContact CE1-CZ 3.83Å; H215-F242 AromaticContact CG-CZ 3.67Å; H215-F242 AromaticContact ND1-CZ 3.91Å; H215-F242 AromaticContact NE2-CZ 3.58Å
216R84.7Confident85.9Confident197 Ų19752.7 Ų52.774%0.74329%0.288SS*.EExtended strand (participates in β ladder)trans-72.1131.4179-67.4-176.1178.2-168.1-1111.5F207F207-R216 CarbonylContact O-C 3.58Å; F207-R216 WeakPolarHBondContact O-CA 3.17Å
217K85.8Confident86.1Confident40 Ų4049.7 Ų49.717%0.17427%0.27CS..EExtended strand (participates in β ladder)trans-141.3156.9173.9-64.4-156175.4-153.30110.1F207 V237 L238 D241F207-K217 HydrophobicContact CE1-CB 4.17Å; F207-K217 HydrophobicContact CE2-CB 4.25Å; F207-K217 HydrophobicContact CZ-CB 3.89Å; F207-K217 PolarHBondContact N-O 3.16Å; F207-K217 PolarHBondContact O-N 3.22Å; K217-V237 HydrophobicContact CD-CG1 3.37Å; K217-V237 PolarHBondContact NZ-O 3.31Å; K217-L238 HydrophobicContact CD-CD2 4.13Å; K217-D241 WeakPolarHBondContact CE-OD2 3.4Å; K217-D241 IonicContact NZ-OD1 3.37Å; K217-D241 PolarHBondContact NZ-OD1 3.14Å; K217-D241 IonicContact NZ-OD2 2.62Å; K217-D241 PolarHBondContact NZ-OD2 2.86Å
218T88.1Confident86.3Confident74 Ų7453.5 Ų53.545%0.45429%0.288SS..EExtended strand (participates in β ladder)trans-116.3141.5174.466.90000110.2E204 T206E204-T218 WeakPolarHBondContact OE1-CB 3.32Å; E204-T218 PolarHBondContact OE1-OG1 3.21Å; T206-T218 HydrophobicContact CG2-CG2 4.14Å
219V88.7Confident86.5Confident15 Ų1556.4 Ų56.49%0.09130%0.303CS..EExtended strand (participates in β ladder)trans-135.6135.7174.5169.30000109.6I205 F207 M221 K233 V237I205-V219 PolarHBondContact N-O 3Å; I205-V219 PolarHBondContact O-N 3.46Å; F207-V219 HydrophobicContact CE1-CB 4.08Å; F207-V219 HydrophobicContact CE1-CG2 3.56Å; F207-V219 HydrophobicContact CZ-CG2 4.26Å; V219-M221 HydrophobicContact CB-CE 4.17Å; V219-M221 HydrophobicContact CG1-CE 3.3Å; V219-K233 HydrophobicContact CG1-CB 4.07Å; V219-K233 HydrophobicContact CG1-CD 4.21Å; V219-V237 HydrophobicContact CG2-CG2 4.04Å
220K90.3Very high86.6Confident136 Ų13656.2 Ų56.259%0.59130%0.302SS*.EExtended strand (participates in β ladder)trans-93.7131.8176.4-60.4-172.9178-169.70111.6I203 E204I203-K220 WeakPolarHBondContact O-CA 3.49Å; E204-K220 HydrophobicContact CB-CG 4.32Å; E204-K220 HydrophobicContact CG-CG 4.29Å; E204-K220 VanDerWaalsContact OE2-CE 3.25Å; E204-K220 WeakPolarHBondContact OE2-CE 3.15Å; E204-K220 IonicContact OE2-NZ 3.88Å
221M90.9Very high87Confident6 Ų653.3 Ų53.33%0.0329%0.291CS..EExtended strand (participates in β ladder)trans-160.5170.9175.964.3-172.870.700113.4E202 I203 I205 V219 N225 F230 K233 F268E202-M221 CarbonylContact C-O 3.56Å; I203-M221 PolarHBondContact N-O 2.96Å; I203-M221 PolarHBondContact O-N 3.4Å; I203-M221 VanDerWaalsContact O-O 3.06Å; I205-M221 HydrophobicContact CD1-CG 3.96Å; I205-M221 HydrophobicContact CD1-SD 3.95Å; V219-M221 HydrophobicContact CB-CE 4.17Å; V219-M221 HydrophobicContact CG1-CE 3.3Å; M221-N225 HydrophobicContact SD-CB 4.46Å; M221-F230 HydrophobicContact CE-CB 3.81Å; M221-F230 HydrophobicContact CE-CD2 3.22Å; M221-F230 HydrophobicContact CE-CE2 4.09Å; M221-F230 HydrophobicContact CE-CG 3.92Å; M221-F230 HydrophobicContact SD-CB 3.54Å; M221-F230 VanDerWaalsContact SD-CB 3.54Å; M221-F230 HydrophobicContact SD-CD2 3.65Å; M221-F230 HydrophobicContact SD-CG 4.08Å; M221-K233 HydrophobicContact CE-CB 4.5Å; M221-K233 HydrophobicContact CE-CD 4.09Å; M221-F268 HydrophobicContact SD-CD2 4.46Å; M221-F268 HydrophobicContact SD-CE2 3.86Å
222K91.7Very high87.5Confident85 Ų8556 Ų5637%0.3730%0.302SS..EExtended strand (participates in β ladder)trans-79.5149.2180-63.2-178.4169-167.30112.2N200 E201 G224 N225N200-K222 PolarHBondContact OD1-NZ 3.15Å; E201-K222 CarbonylContact O-C 3.54Å; E201-K222 WeakPolarHBondContact O-CA 3.47Å; K222-G224 PolarHBondContact O-N 2.95Å; K222-N225 WeakPolarHBondContact O-CB 3.47Å; K222-N225 PolarHBondContact O-N 2.66Å; K222-N225 VanDerWaalsContact O-N 3.11Å
223K88.5Confident88.4Confident24 Ų2457.3 Ų57.310%0.10429%0.292CS..THydrogen-bonded Turntrans-59.2-34.1177.8-38.4-157.7157.6168.30112.6I198 K199 E201 I203 N225 F268 Y269 I272I198-K223 HydrophobicContact CG2-CD 4.25Å; I198-K223 WeakPolarHBondContact O-CB 3.46Å; I198-K223 WeakPolarHBondContact O-CD 3.39Å; I198-K223 VanDerWaalsContact O-CG 3.24Å; I198-K223 WeakPolarHBondContact O-CG 3.39Å; K199-K223 PolarHBondContact O-N 3.23Å; E201-K223 HydrophobicContact CB-CD 3.83Å; E201-K223 HydrophobicContact CB-CG 3.86Å; E201-K223 WeakPolarHBondContact O-CG 3.29Å; E201-K223 PolarHBondContact O-N 3.25Å; E201-K223 WeakPolarHBondContact OE2-CE 3.24Å; E201-K223 IonicContact OE2-NZ 3.84Å; E201-K223 PolarHBondContact OE2-NZ 2.85Å; I203-K223 HydrophobicContact CD1-CB 3.86Å; I203-K223 HydrophobicContact CD1-CD 3.6Å; I203-K223 VanDerWaalsContact CD1-CE 3.49Å; I203-K223 HydrophobicContact CD1-CG 3.33Å; I203-K223 HydrophobicContact CG1-CD 4.05Å; I203-K223 VanDerWaalsContact CG1-CE 3.47Å; I203-K223 HydrophobicContact CG1-CG 3.72Å; K223-N225 PolarHBondContact O-N 3.46Å; K223-F268 CarbonylContact O-C 3.44Å; K223-F268 WeakPolarHBondContact O-CB 3.27Å; K223-F268 PolarHBondContact O-N 2.81Å; K223-Y269 PolarHBondContact O-N 3.29Å; K223-I272 HydrophobicContact CB-CD1 4.23Å; K223-I272 HydrophobicContact CD-CD1 3.7Å; K223-I272 HydrophobicContact CG-CD1 4.36Å
224G87.8Confident89Confident29 Ų2954.1 Ų54.130%0.29927%0.27SS..THydrogen-bonded Turntrans-72.5-7.6179.800000114.7K199 K222K199-G224 PolarHBondContact O-N 3.36Å; K222-G224 PolarHBondContact O-N 2.95Å
225N91.8Very high89.5Confident40 Ų4052.6 Ų52.621%0.21425%0.252CS..SBendtrans-71.9142.5178.2-73.2-2000111.1M221 K222 K223 N229 F268M221-N225 HydrophobicContact SD-CB 4.46Å; K222-N225 WeakPolarHBondContact O-CB 3.47Å; K222-N225 PolarHBondContact O-N 2.66Å; K222-N225 VanDerWaalsContact O-N 3.11Å; K223-N225 PolarHBondContact O-N 3.46Å; N225-N229 HydrophobicContact CB-CB 4.32Å; N225-F268 WeakPolarHBondContact O-CD2 3.29Å; N225-F268 PolarHBondContact O-N 2.91Å
226T92.9Very high89.8Confident39 Ų3955.8 Ų55.824%0.23927%0.267CS..BIsolated β-bridgetrans-72.9160.4173.173.80000111.1Q228 N229 F230T226-Q228 PolarHBondContact O-N 3.41Å; T226-Q228 PolarHBondContact OG1-N 2.8Å; T226-N229 WeakPolarHBondContact O-CB 3.41Å; T226-N229 PolarHBondContact O-N 3.23Å; T226-N229 VanDerWaalsContact O-N 3.15Å; T226-N229 PolarHBondContact OG1-N 2.76Å; T226-N229 PolarHBondContact OG1-OD1 3.19Å; T226-F230 PolarHBondContact O-N 2.83Å
227I90.9Very high89.9Confident0 Ų048.6 Ų48.60%025%0.245CC..Hα-helixtrans-62.3-30.9173-71.2166.8000111.3F230 L231 Y255 I262 H266 F268 F271I227-F230 WeakPolarHBondContact O-CB 3.07Å; I227-F230 PolarHBondContact O-N 2.81Å; I227-L231 HydrophobicContact CG2-CD1 4.05Å; I227-L231 HydrophobicContact CG2-CG 4.12Å; I227-L231 WeakPolarHBondContact O-CB 3.39Å; I227-L231 VanDerWaalsContact O-CG 3.31Å; I227-L231 WeakPolarHBondContact O-CG 3.47Å; I227-L231 PolarHBondContact O-N 3.19Å; I227-Y255 HydrophobicContact CG2-CG 4.37Å; I227-I262 HydrophobicContact CD1-CB 3.73Å; I227-I262 HydrophobicContact CD1-CD1 4.36Å; I227-I262 HydrophobicContact CD1-CG2 3.1Å; I227-H266 HydrophobicContact CD1-CB 4.29Å; I227-H266 WeakPolarHBondContact CG1-O 3.39Å; I227-H266 PolarHBondContact N-O 2.86Å; I227-F268 HydrophobicContact CG1-CE1 4.3Å; I227-F268 HydrophobicContact CG1-CE2 4.27Å; I227-F268 HydrophobicContact CG1-CZ 3.94Å; I227-F271 HydrophobicContact CD1-CE2 3.67Å; I227-F271 HydrophobicContact CD1-CZ 4.26Å
228Q92.2Very high89.9Confident80 Ų8046.7 Ų46.737%0.37424%0.237SC..Hα-helixtrans-60-46.6173.2-162.8-17712.100111.7T226 F230 L231 Q232 V250 E251 H264T226-Q228 PolarHBondContact O-N 3.41Å; T226-Q228 PolarHBondContact OG1-N 2.8Å; Q228-F230 VanDerWaalsContact C-N 3.28Å; Q228-F230 PolarHBondContact O-N 2.9Å; Q228-L231 PolarHBondContact O-N 3.32Å; Q228-Q232 PolarHBondContact O-N 2.66Å; Q228-V250 HydrophobicContact CG-CG1 3.74Å; Q228-E251 PolarHBondContact NE2-OE1 3.16Å; Q228-H264 HydrophobicContact CB-CB 4.23Å; Q228-H264 PolarHBondContact N-O 2.77Å
229N92.6Very high89.8Confident72 Ų7248.4 Ų48.439%0.38524%0.235SC..Hα-helixtrans-62.7-37.1175.1-66.594.5000111.6N225 T226 Q232 K233N225-N229 HydrophobicContact CB-CB 4.32Å; T226-N229 WeakPolarHBondContact O-CB 3.41Å; T226-N229 PolarHBondContact O-N 3.23Å; T226-N229 VanDerWaalsContact O-N 3.15Å; T226-N229 PolarHBondContact OG1-N 2.76Å; T226-N229 PolarHBondContact OG1-OD1 3.19Å; N229-Q232 PolarHBondContact O-N 3.27Å; N229-K233 PolarHBondContact O-N 3.37Å; N229-K233 VanDerWaalsContact O-N 3.15Å
230F92Very high89.6Confident0 Ų055.9 Ų55.90%027%0.266CS..Hα-helixtrans-61.7-49.9173.4164.2-89.8000111.7I205 F207 M221 T226 I227 Q228 Q232 K233 A234 Y255 F268 V310I205-F230 HydrophobicContact CB-CD2 4.35Å; I205-F230 HydrophobicContact CB-CE2 3.92Å; I205-F230 HydrophobicContact CD1-CD2 3.93Å; I205-F230 HydrophobicContact CD1-CE2 4.33Å; I205-F230 HydrophobicContact CG2-CD2 4.23Å; I205-F230 HydrophobicContact CG2-CE2 3.58Å; I205-F230 HydrophobicContact CG2-CZ 4.19Å; F207-F230 HydrophobicContact CB-CZ 3.72Å; F207-F230 AromaticContact CD1-CE2 3.76Å; F207-F230 HydrophobicContact CD1-CE2 3.76Å; F207-F230 AromaticContact CD1-CZ 3.47Å; F207-F230 HydrophobicContact CD1-CZ 3.47Å; F207-F230 VanDerWaalsContact CD1-CZ 3.47Å; F207-F230 HydrophobicContact CD2-CZ 4.45Å; F207-F230 HydrophobicContact CE1-CE2 4.33Å; F207-F230 HydrophobicContact CE1-CZ 4.17Å; F207-F230 HydrophobicContact CG-CE2 4.36Å; F207-F230 AromaticContact CG-CZ 3.63Å; F207-F230 HydrophobicContact CG-CZ 3.63Å; M221-F230 HydrophobicContact CE-CB 3.81Å; M221-F230 HydrophobicContact CE-CD2 3.22Å; M221-F230 HydrophobicContact CE-CE2 4.09Å; M221-F230 HydrophobicContact CE-CG 3.92Å; M221-F230 HydrophobicContact SD-CB 3.54Å; M221-F230 VanDerWaalsContact SD-CB 3.54Å; M221-F230 HydrophobicContact SD-CD2 3.65Å; M221-F230 HydrophobicContact SD-CG 4.08Å; T226-F230 PolarHBondContact O-N 2.83Å; I227-F230 WeakPolarHBondContact O-CB 3.07Å; I227-F230 PolarHBondContact O-N 2.81Å; Q228-F230 VanDerWaalsContact C-N 3.28Å; Q228-F230 PolarHBondContact O-N 2.9Å; F230-Q232 VanDerWaalsContact C-N 3.27Å; F230-Q232 PolarHBondContact O-N 3.03Å; F230-K233 PolarHBondContact O-N 3.2Å; F230-A234 HydrophobicContact CE1-CB 4.38Å; F230-A234 HydrophobicContact CZ-CB 4.4Å; F230-A234 WeakPolarHBondContact O-CB 3.24Å; F230-A234 PolarHBondContact O-N 3.09Å; F230-Y255 HydrophobicContact CD1-CD2 4.27Å; F230-Y255 HydrophobicContact CD1-CE2 4.5Å; F230-Y255 AromaticContact CE1-CD2 3.54Å; F230-Y255 HydrophobicContact CE1-CD2 3.54Å; F230-Y255 AromaticContact CE1-CE2 3.63Å; F230-Y255 HydrophobicContact CE1-CE2 3.63Å; F230-Y255 HydrophobicContact CE1-CG 4.39Å; F230-Y255 HydrophobicContact CZ-CD2 4.24Å; F230-Y255 AromaticContact CZ-CE2 3.88Å; F230-Y255 HydrophobicContact CZ-CE2 3.88Å; F230-F268 HydrophobicContact CB-CE2 3.68Å; F230-F268 HydrophobicContact CB-CZ 3.78Å; F230-F268 HydrophobicContact CD1-CZ 4.37Å; F230-F268 HydrophobicContact CD2-CE2 4.31Å; F230-F268 AromaticContact CD2-CZ 3.89Å; F230-F268 HydrophobicContact CD2-CZ 3.89Å; F230-F268 HydrophobicContact CG-CE2 4.14Å; F230-F268 AromaticContact CG-CZ 3.75Å; F230-F268 HydrophobicContact CG-CZ 3.75Å; F230-V310 HydrophobicContact CE1-CG2 4.04Å; F230-V310 HydrophobicContact CZ-CG2 4.44Å
231L91.2Very high89.2Confident0 Ų054 Ų540%026%0.263CS..Hα-helixtrans-62.8-35.8180-73176.5000111.3I227 Q228 A234 L235 V250 L253 V310I227-L231 HydrophobicContact CG2-CD1 4.05Å; I227-L231 HydrophobicContact CG2-CG 4.12Å; I227-L231 WeakPolarHBondContact O-CB 3.39Å; I227-L231 VanDerWaalsContact O-CG 3.31Å; I227-L231 WeakPolarHBondContact O-CG 3.47Å; I227-L231 PolarHBondContact O-N 3.19Å; Q228-L231 PolarHBondContact O-N 3.32Å; L231-A234 PolarHBondContact O-N 3.1Å; L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 PolarHBondContact O-N 3.11Å; L231-V250 HydrophobicContact CB-CG1 3.72Å; L231-L253 HydrophobicContact CD1-CB 4.16Å; L231-L253 HydrophobicContact CD2-CB 4.12Å; L231-L253 HydrophobicContact CD2-CD1 4.42Å; L231-V310 HydrophobicContact CD2-CG1 3.94Å; L231-V310 HydrophobicContact CD2-CG2 4.1Å
232Q91Very high88.5Confident115 Ų11555.5 Ų55.554%0.53727%0.269SS..Hα-helixtrans-61.7-48.5173.7-173.1178.7-4.700112.1Q228 N229 F230 L235 E236 V250Q228-Q232 PolarHBondContact O-N 2.66Å; N229-Q232 PolarHBondContact O-N 3.27Å; F230-Q232 VanDerWaalsContact C-N 3.27Å; F230-Q232 PolarHBondContact O-N 3.03Å; Q232-L235 PolarHBondContact O-N 3.37Å; Q232-E236 PolarHBondContact O-N 3.26Å; Q232-V250 HydrophobicContact CB-CG2 3.91Å; Q232-V250 HydrophobicContact CG-CG2 4.23Å
233K89.9Confident87.8Confident82 Ų8255.8 Ų55.836%0.35728%0.282SS..Hα-helixtrans-64.2-42.4175.8-75-176.6170.3-171.30111.8V219 M221 N229 F230 L235 E236 V237V219-K233 HydrophobicContact CG1-CB 4.07Å; V219-K233 HydrophobicContact CG1-CD 4.21Å; M221-K233 HydrophobicContact CE-CB 4.5Å; M221-K233 HydrophobicContact CE-CD 4.09Å; N229-K233 PolarHBondContact O-N 3.37Å; N229-K233 VanDerWaalsContact O-N 3.15Å; F230-K233 PolarHBondContact O-N 3.2Å; K233-L235 VanDerWaalsContact C-N 3.31Å; K233-L235 PolarHBondContact O-N 3.2Å; K233-E236 PolarHBondContact O-N 3.41Å; K233-V237 WeakPolarHBondContact O-CG2 3.3Å; K233-V237 PolarHBondContact O-N 3.13Å; K233-V237 VanDerWaalsContact O-N 3.12Å
234A88.4Confident87.1Confident0 Ų062 Ų620%031%0.311CS..Hα-helixtrans-59.7-44.2175.800000110.9F207 F230 L231 E236 V237 L238F207-A234 HydrophobicContact CD2-CB 4.47Å; F207-A234 HydrophobicContact CE1-CB 3.85Å; F207-A234 HydrophobicContact CE2-CB 3.78Å; F207-A234 HydrophobicContact CZ-CB 3.42Å; F207-A234 VanDerWaalsContact CZ-CB 3.42Å; F230-A234 HydrophobicContact CE1-CB 4.38Å; F230-A234 HydrophobicContact CZ-CB 4.4Å; F230-A234 WeakPolarHBondContact O-CB 3.24Å; F230-A234 PolarHBondContact O-N 3.09Å; L231-A234 PolarHBondContact O-N 3.1Å; A234-E236 PolarHBondContact O-N 3.19Å; A234-V237 PolarHBondContact O-N 3.32Å; A234-L238 WeakPolarHBondContact O-CB 3.5Å; A234-L238 WeakPolarHBondContact O-CG 3.45Å; A234-L238 PolarHBondContact O-N 3.28Å
235L88.3Confident86.6Confident7 Ų760.6 Ų60.64%0.03730%0.297CS..Hα-helixtrans-63-40.4178-171.2158.2000111.5L231 Q232 K233 V237 L238 R239 V250 L253L231-L235 WeakPolarHBondContact O-CB 3.48Å; L231-L235 PolarHBondContact O-N 3.11Å; Q232-L235 PolarHBondContact O-N 3.37Å; K233-L235 VanDerWaalsContact C-N 3.31Å; K233-L235 PolarHBondContact O-N 3.2Å; L235-V237 VanDerWaalsContact C-N 3.34Å; L235-V237 PolarHBondContact O-N 3.27Å; L235-L238 PolarHBondContact O-N 3.33Å; L235-R239 HydrophobicContact CD2-CG 3.85Å; L235-R239 WeakPolarHBondContact O-CB 3.48Å; L235-R239 VanDerWaalsContact O-CG 3.29Å; L235-R239 WeakPolarHBondContact O-CG 3.41Å; L235-R239 PolarHBondContact O-N 2.85Å; L235-V250 HydrophobicContact CD1-CG2 4.39Å; L235-L253 HydrophobicContact CB-CD1 3.96Å; L235-L253 HydrophobicContact CD1-CD1 3.72Å; L235-L253 HydrophobicContact CD1-CG 4.44Å; L235-L253 HydrophobicContact CG-CD1 4.19Å
236E87.8Confident85.7Confident130 Ų13066.9 Ų66.961%0.60732%0.318SS*.Hα-helixtrans-61.2-41.5174.4-172.3178.3-177.400112.5Q232 K233 A234Q232-E236 PolarHBondContact O-N 3.26Å; K233-E236 PolarHBondContact O-N 3.41Å; A234-E236 PolarHBondContact O-N 3.19Å
237V87.8Confident85Confident47 Ų4770.7 Ų70.729%0.28535%0.346SS..Hα-helixtrans-70-34.8176.6177.20000111.8K217 V219 K233 A234 L235K217-V237 HydrophobicContact CD-CG1 3.37Å; K217-V237 PolarHBondContact NZ-O 3.31Å; V219-V237 HydrophobicContact CG2-CG2 4.04Å; K233-V237 WeakPolarHBondContact O-CG2 3.3Å; K233-V237 PolarHBondContact O-N 3.13Å; K233-V237 VanDerWaalsContact O-N 3.12Å; A234-V237 PolarHBondContact O-N 3.32Å; L235-V237 VanDerWaalsContact C-N 3.34Å; L235-V237 PolarHBondContact O-N 3.27Å
238L86Confident84.5Confident0 Ų071.5 Ų71.50%035%0.353CS..Hα-helixtrans-78.3-29.5178.7-68.9170.9000112.9F207 Y209 K217 A234 L235 K240 D241 F242 L245F207-L238 HydrophobicContact CE2-CD1 4.13Å; F207-L238 HydrophobicContact CE2-CD2 4.44Å; F207-L238 HydrophobicContact CE2-CG 4.3Å; Y209-L238 HydrophobicContact CD2-CD1 3.81Å; Y209-L238 HydrophobicContact CG-CD1 3.93Å; Y209-L238 HydrophobicContact CG-CD2 4.08Å; K217-L238 HydrophobicContact CD-CD2 4.13Å; A234-L238 WeakPolarHBondContact O-CB 3.5Å; A234-L238 WeakPolarHBondContact O-CG 3.45Å; A234-L238 PolarHBondContact O-N 3.28Å; L235-L238 PolarHBondContact O-N 3.33Å; L238-K240 PolarHBondContact O-N 2.8Å; L238-K240 VanDerWaalsContact O-N 3.12Å; L238-D241 PolarHBondContact O-N 3.4Å; L238-F242 HydrophobicContact CD2-CD2 4.27Å; L238-F242 HydrophobicContact CD2-CE2 4.21Å; L238-F242 PolarHBondContact O-N 2.92Å; L238-L245 HydrophobicContact CB-CD1 3.62Å; L238-L245 HydrophobicContact CD1-CD1 4Å; L238-L245 HydrophobicContact CG-CD1 4.36Å
239R85.3Confident84.2Confident109 Ų10969.6 Ų69.641%0.41136%0.355SS..THydrogen-bonded Turntrans-59-22.8176.5-89.1-179.8176.1175.99.3113.9L235L235-R239 HydrophobicContact CD2-CG 3.85Å; L235-R239 WeakPolarHBondContact O-CB 3.48Å; L235-R239 VanDerWaalsContact O-CG 3.29Å; L235-R239 WeakPolarHBondContact O-CG 3.41Å; L235-R239 PolarHBondContact O-N 2.85Å
240K83.6Confident83.9Confident172 Ų17267.4 Ų67.475%0.74834%0.344SS*.THydrogen-bonded Turntrans-71.1-33.9174.8-65.4-177.2-178.7178.60112.1L238L238-K240 PolarHBondContact O-N 2.8Å; L238-K240 VanDerWaalsContact O-N 3.12Å
241D81.7Confident83.6Confident97 Ų9772.4 Ų72.452%0.51937%0.367SS..THydrogen-bonded Turntrans-100.2-31.9-172.6-61.711.3000111.7K217 L238K217-D241 WeakPolarHBondContact CE-OD2 3.4Å; K217-D241 IonicContact NZ-OD1 3.37Å; K217-D241 PolarHBondContact NZ-OD1 3.14Å; K217-D241 IonicContact NZ-OD2 2.62Å; K217-D241 PolarHBondContact NZ-OD2 2.86Å; L238-D241 PolarHBondContact O-N 3.4Å
242F77.9Confident83.5Confident37 Ų3775.3 Ų75.316%0.16238%0.381CS..  trans-123.9110.2-176-56.9-82.4000110.8Y209 H215 L238 E244 L245Y209-F242 HydrophobicContact CD1-CD2 4.22Å; Y209-F242 AromaticContact CD1-CE2 3.97Å; Y209-F242 HydrophobicContact CD1-CE2 3.97Å; Y209-F242 HydrophobicContact CD1-CZ 4.22Å; Y209-F242 HydrophobicContact CE1-CD2 4.37Å; Y209-F242 HydrophobicContact CE1-CE2 4.43Å; Y209-F242 HydrophobicContact CE1-CG 4.42Å; H215-F242 HydrophobicContact CB-CE2 4.49Å; H215-F242 HydrophobicContact CB-CZ 4.42Å; H215-F242 AromaticContact CD2-CZ 3.46Å; H215-F242 VanDerWaalsContact CD2-CZ 3.46Å; H215-F242 WeakPolarHBondContact CD2-CZ 3.27Å; H215-F242 AromaticContact CE1-CZ 3.83Å; H215-F242 AromaticContact CG-CZ 3.67Å; H215-F242 AromaticContact ND1-CZ 3.91Å; H215-F242 AromaticContact NE2-CZ 3.58Å; L238-F242 HydrophobicContact CD2-CD2 4.27Å; L238-F242 HydrophobicContact CD2-CE2 4.21Å; L238-F242 PolarHBondContact O-N 2.92Å; F242-E244 PolarHBondContact O-N 2.97Å; F242-L245 HydrophobicContact CB-CB 4.48Å; F242-L245 HydrophobicContact CB-CD1 3.98Å; F242-L245 HydrophobicContact CB-CG 4.21Å; F242-L245 HydrophobicContact CD2-CD1 4.33Å; F242-L245 HydrophobicContact CG-CD1 4.42Å; F242-L245 PolarHBondContact O-N 2.9Å
243S75.3Confident83.4Confident92 Ų9269.9 Ų69.964%0.64336%0.355SS*.G310 helixtrans-66.5-26.2175.2550000112.6L245 R246S243-L245 VanDerWaalsContact C-N 3.28Å; S243-L245 PolarHBondContact O-N 3.41Å; S243-R246 WeakPolarHBondContact O-CB 3.08Å; S243-R246 PolarHBondContact O-N 2.84Å
244E74.6Confident83.4Confident153 Ų15366.6 Ų66.672%0.71534%0.341SS*.G310 helixtrans-63.1-33.1178.4-60.2-177.3179.500112.5F242 R246F242-E244 PolarHBondContact O-N 2.97Å; E244-R246 PolarHBondContact O-N 2.74Å
245L77.1Confident83.5Confident0 Ų066.6 Ų66.60%034%0.341CS..G310 helixtrans-78.1-3.3176.9-68.2172.9000113.3Y209 L238 F242 S243 S247 A248 L253 L312Y209-L245 HydrophobicContact CD2-CD1 4.27Å; Y209-L245 HydrophobicContact CE1-CD1 4.12Å; Y209-L245 HydrophobicContact CE2-CD1 3.83Å; Y209-L245 HydrophobicContact CE2-CD2 4.02Å; Y209-L245 HydrophobicContact CE2-CG 4.44Å; L238-L245 HydrophobicContact CB-CD1 3.62Å; L238-L245 HydrophobicContact CD1-CD1 4Å; L238-L245 HydrophobicContact CG-CD1 4.36Å; F242-L245 HydrophobicContact CB-CB 4.48Å; F242-L245 HydrophobicContact CB-CD1 3.98Å; F242-L245 HydrophobicContact CB-CG 4.21Å; F242-L245 HydrophobicContact CD2-CD1 4.33Å; F242-L245 HydrophobicContact CG-CD1 4.42Å; F242-L245 PolarHBondContact O-N 2.9Å; S243-L245 VanDerWaalsContact C-N 3.28Å; S243-L245 PolarHBondContact O-N 3.41Å; L245-S247 VanDerWaalsContact C-N 3.35Å; L245-A248 HydrophobicContact CD2-CB 4.39Å; L245-A248 PolarHBondContact O-N 3.16Å; L245-L253 HydrophobicContact CD2-CD2 4.33Å; L245-L312 HydrophobicContact CD2-CD1 3.97Å; L245-L312 HydrophobicContact CD2-CD2 3.88Å; L245-L312 HydrophobicContact CD2-CG 4.05Å
246R73.4Confident83.5Confident172 Ų17266.4 Ų66.465%0.64934%0.34SS*.G310 helixtrans-67.2-37.4176.8-170.3178.6-66.6-146-0.6112S243 E244S243-R246 WeakPolarHBondContact O-CB 3.08Å; S243-R246 PolarHBondContact O-N 2.84Å; E244-R246 PolarHBondContact O-N 2.74Å
247S78Confident83.4Confident119 Ų11961 Ų6183%0.83232%0.315SS*.SBendtrans-84.7-18.7179.3-169.20000113.2L245L245-S247 VanDerWaalsContact C-N 3.35Å
248A81.4Confident83.1Confident18 Ų1859.4 Ų59.415%0.14930%0.304CS..  trans-78.7139.7-179.500000111.2L245 L312L245-A248 HydrophobicContact CD2-CB 4.39Å; L245-A248 PolarHBondContact O-N 3.16Å; A248-L312 HydrophobicContact CB-CD2 4.02Å
249G84.1Confident82.8Confident40 Ų4060.8 Ų60.841%0.41231%0.312SS..  trans-92.2168.617100000112.2E251 Q252G249-E251 PolarHBondContact O-N 3.13Å; G249-Q252 PolarHBondContact O-N 3.2Å
250V86.4Confident82.8Confident26 Ų2655.7 Ų55.716%0.15829%0.293CS..G310 helixtrans-59.7-35.7178.4-177.40000111.7Q228 L231 Q232 L235 Q252 L253Q228-V250 HydrophobicContact CG-CG1 3.74Å; L231-V250 HydrophobicContact CB-CG1 3.72Å; Q232-V250 HydrophobicContact CB-CG2 3.91Å; Q232-V250 HydrophobicContact CG-CG2 4.23Å; L235-V250 HydrophobicContact CD1-CG2 4.39Å; V250-Q252 PolarHBondContact O-N 2.98Å; V250-L253 PolarHBondContact O-N 2.95Å
251E87.4Confident83.1Confident105 Ų10548.7 Ų48.749%0.49126%0.263SS..G310 helixtrans-63.6-23.3-179.9-59.3-49.8134.200114.3Q228 G249 H264Q228-E251 PolarHBondContact NE2-OE1 3.16Å; G249-E251 PolarHBondContact O-N 3.13Å; E251-H264 IonicContact OE2-ND1 2.71Å; E251-H264 PolarHBondContact OE2-ND1 2.95Å
252Q88.9Confident83.5Confident61 Ų6144.1 Ų44.129%0.28524%0.239SC..G310 helixtrans-88.4-8.4178.5-164.460.30.100112.5G249 V250 L312 R313 S314G249-Q252 PolarHBondContact O-N 3.2Å; V250-Q252 PolarHBondContact O-N 2.98Å; Q252-L312 HydrophobicContact CG-CD2 4.16Å; Q252-L312 CarbonylContact O-C 3.58Å; Q252-L312 WeakPolarHBondContact O-CA 3.11Å; Q252-R313 HydrophobicContact CG-CB 4.44Å; Q252-R313 WeakPolarHBondContact O-CB 3.24Å; Q252-R313 PolarHBondContact O-N 3.29Å; Q252-S314 PolarHBondContact NE2-OG 2.83Å
253L88.7Confident84.1Confident0 Ų044.2 Ų44.20%024%0.243CC..EExtended strand (participates in β ladder)trans-87.4153.4171.2-67.5178.6000110.3L231 L235 L245 V250 H264 V310 V311 L312L231-L253 HydrophobicContact CD1-CB 4.16Å; L231-L253 HydrophobicContact CD2-CB 4.12Å; L231-L253 HydrophobicContact CD2-CD1 4.42Å; L235-L253 HydrophobicContact CB-CD1 3.96Å; L235-L253 HydrophobicContact CD1-CD1 3.72Å; L235-L253 HydrophobicContact CD1-CG 4.44Å; L235-L253 HydrophobicContact CG-CD1 4.19Å; L245-L253 HydrophobicContact CD2-CD2 4.33Å; V250-L253 PolarHBondContact O-N 2.95Å; L253-H264 PolarHBondContact O-CE1 2.93Å; L253-H264 PolarHBondContact O-NE2 3.19Å; L253-V310 HydrophobicContact CB-CG1 4.48Å; L253-V310 HydrophobicContact CD1-CG1 4.18Å; L253-V310 HydrophobicContact CD2-CG1 4.01Å; L253-V310 HydrophobicContact CG-CG1 4.48Å; L253-V311 CarbonylContact C-O 3.55Å; L253-V311 WeakPolarHBondContact CA-O 3.32Å; L253-L312 HydrophobicContact CD2-CD2 3.77Å; L253-L312 HydrophobicContact CD2-CG 4.19Å
254M89.4Confident84.7Confident13 Ų1341.1 Ų41.16%0.06422%0.218CC..EExtended strand (participates in β ladder)trans-131.5138.9173.1-66.2179.560.600108I256 I261 V310 V311 R313 Y316M254-I256 HydrophobicContact CB-CD1 4.29Å; M254-I261 HydrophobicContact CE-CB 4.33Å; M254-I261 HydrophobicContact CE-CD1 3.87Å; M254-I261 HydrophobicContact CE-CG1 4.1Å; M254-I261 HydrophobicContact CE-CG2 3.29Å; M254-V310 WeakPolarHBondContact O-CA 3.22Å; M254-V311 PolarHBondContact N-O 3.06Å; M254-V311 PolarHBondContact O-N 3.17Å; M254-R313 HydrophobicContact CG-CB 4.28Å; M254-R313 HydrophobicContact SD-CB 3.98Å; M254-R313 HydrophobicContact SD-CG 4.12Å; M254-Y316 HydrophobicContact CE-CD1 4.01Å; M254-Y316 HydrophobicContact CE-CE1 4.26Å; M254-Y316 HydrophobicContact SD-CD1 3.99Å; M254-Y316 HydrophobicContact SD-CG 4.36Å
255Y90.9Very high85.4Confident1 Ų140.4 Ų40.40%0.00421%0.214CC..EExtended strand (participates in β ladder)trans-103.1127.8173.9-175-109000109.7F207 I227 F230 K257 I262 F284 V310F207-Y255 HydrophobicContact CB-CE2 4.43Å; I227-Y255 HydrophobicContact CG2-CG 4.37Å; F230-Y255 HydrophobicContact CD1-CD2 4.27Å; F230-Y255 HydrophobicContact CD1-CE2 4.5Å; F230-Y255 AromaticContact CE1-CD2 3.54Å; F230-Y255 HydrophobicContact CE1-CD2 3.54Å; F230-Y255 AromaticContact CE1-CE2 3.63Å; F230-Y255 HydrophobicContact CE1-CE2 3.63Å; F230-Y255 HydrophobicContact CE1-CG 4.39Å; F230-Y255 HydrophobicContact CZ-CD2 4.24Å; F230-Y255 AromaticContact CZ-CE2 3.88Å; F230-Y255 HydrophobicContact CZ-CE2 3.88Å; Y255-K257 HydrophobicContact CE1-CB 3.96Å; Y255-I262 HydrophobicContact CD1-CB 4.11Å; Y255-I262 HydrophobicContact CD1-CD1 3.75Å; Y255-I262 HydrophobicContact CD1-CG1 3.98Å; Y255-I262 HydrophobicContact CE1-CD1 3.77Å; Y255-I262 HydrophobicContact CE1-CG1 4.45Å; Y255-I262 PolarHBondContact O-N 3.28Å; Y255-F284 HydrophobicContact CE1-CE1 4.49Å; Y255-F284 HydrophobicContact CE1-CZ 4.02Å; Y255-V310 HydrophobicContact CD2-CG2 3.97Å
256I88.6Confident86Confident2 Ų241.8 Ų41.81%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-121.8127.2179-58.8101.9000109.2M254 L260 I261 G308 K309 V311 W328M254-I256 HydrophobicContact CB-CD1 4.29Å; I256-L260 CarbonylContact C-O 3.54Å; I256-L260 VanDerWaalsContact CA-O 3.3Å; I256-L260 WeakPolarHBondContact CA-O 3.45Å; I256-I261 HydrophobicContact CG1-CG1 3.85Å; I256-G308 CarbonylContact O-C 3.54Å; I256-G308 WeakPolarHBondContact O-CA 3.45Å; I256-K309 HydrophobicContact CB-CB 4.37Å; I256-K309 PolarHBondContact N-O 3.4Å; I256-K309 PolarHBondContact O-N 3.37Å; I256-V311 HydrophobicContact CD1-CB 3.83Å; I256-V311 HydrophobicContact CD1-CG2 3.45Å; I256-V311 VanDerWaalsContact CD1-CG2 3.45Å; I256-W328 HydrophobicContact CB-CD2 4.45Å; I256-W328 HydrophobicContact CD1-CD2 4.44Å; I256-W328 HydrophobicContact CD1-CE3 3.75Å; I256-W328 HydrophobicContact CD1-CH2 4.15Å; I256-W328 HydrophobicContact CD1-CZ3 3.59Å; I256-W328 HydrophobicContact CG1-CD2 4Å; I256-W328 HydrophobicContact CG1-CE3 3.69Å; I256-W328 HydrophobicContact CG1-CZ3 4.06Å; I256-W328 HydrophobicContact CG2-CD2 3.85Å; I256-W328 HydrophobicContact CG2-CE3 4.42Å; I256-W328 HydrophobicContact CG2-CG 3.92Å
257K85.9Confident86.7Confident16 Ų1634.2 Ų34.27%0.0719%0.194CC..EExtended strand (participates in β ladder)trans-128.9127.8174.4-176.559.8-175-90.60109.4Y255 D259 L260 I262 L283 F284 H306Y255-K257 HydrophobicContact CE1-CB 3.96Å; K257-D259 PolarHBondContact O-N 3.29Å; K257-D259 VanDerWaalsContact O-N 3.16Å; K257-L260 PolarHBondContact N-O 2.78Å; K257-L260 WeakPolarHBondContact O-CA 3.43Å; K257-L260 WeakPolarHBondContact O-CB 3.47Å; K257-L260 PolarHBondContact O-N 3.3Å; K257-I262 HydrophobicContact CB-CD1 3.95Å; K257-L283 HydrophobicContact CB-CD2 4.32Å; K257-L283 WeakPolarHBondContact CE-O 3.41Å; K257-L283 HydrophobicContact CG-CD2 4Å; K257-L283 WeakPolarHBondContact CG-O 3.49Å; K257-L283 PolarHBondContact NZ-O 2.79Å; K257-F284 HydrophobicContact CG-CZ 4.43Å; K257-H306 WeakPolarHBondContact CD-O 3.31Å; K257-H306 WeakPolarHBondContact CE-O 3.47Å
258E79.6Confident87.1Confident14 Ų1428.6 Ų28.67%0.06516%0.155CC..THydrogen-bonded Turntrans46.444.3-179.5-58.2-60.115400114.1L260 S280 L283 H306E258-L260 VanDerWaalsContact C-N 3.25Å; E258-L260 PolarHBondContact O-N 2.81Å; E258-S280 WeakPolarHBondContact OE2-CB 3.36Å; E258-L283 HydrophobicContact CB-CD2 3.95Å; E258-L283 HydrophobicContact CG-CD2 4.29Å; E258-H306 WeakPolarHBondContact OE1-CA 3.3Å; E258-H306 VanDerWaalsContact OE1-CB 3.28Å; E258-H306 WeakPolarHBondContact OE1-CB 3.32Å; E258-H306 IonicContact OE1-CG 3.95Å; E258-H306 PolarHBondContact OE1-N 3.11Å; E258-H306 IonicContact OE1-ND1 2.64Å; E258-H306 PolarHBondContact OE1-ND1 3.14Å; E258-H306 IonicContact OE2-CE1 3.2Å; E258-H306 IonicContact OE2-CG 3.62Å; E258-H306 IonicContact OE2-ND1 3.9Å; E258-H306 PolarHBondContact OE2-ND1 3.37Å
259D80.8Confident87.3Confident29 Ų2928.5 Ų28.516%0.15515%0.151CC..THydrogen-bonded Turntrans67.614.3-176.5-50.3-35.1000115.9K257 R327 W328 E329K257-D259 PolarHBondContact O-N 3.29Å; K257-D259 VanDerWaalsContact O-N 3.16Å; D259-R327 HydrophobicContact CB-CG 4.15Å; D259-R327 VanDerWaalsContact OD2-CD 3.24Å; D259-R327 WeakPolarHBondContact OD2-CD 3.09Å; D259-R327 IonicContact OD2-NE 3.79Å; D259-R327 PolarHBondContact OD2-NE 3.39Å; D259-R327 VanDerWaalsContact OD2-NE 3.09Å; D259-W328 CarbonylContact O-C 3.52Å; D259-W328 VanDerWaalsContact O-CA 3.24Å; D259-W328 WeakPolarHBondContact O-CA 3.29Å; D259-E329 PolarHBondContact O-N 3.12Å
260L85.4Confident87.4Confident3 Ų329.8 Ų29.82%0.01615%0.148CC..EExtended strand (participates in β ladder)trans-107.3122.6172.3-66.9168.9000110.3I256 K257 E258 I262 L283 E329 Y331I256-L260 CarbonylContact C-O 3.54Å; I256-L260 VanDerWaalsContact CA-O 3.3Å; I256-L260 WeakPolarHBondContact CA-O 3.45Å; K257-L260 PolarHBondContact N-O 2.78Å; K257-L260 WeakPolarHBondContact O-CA 3.43Å; K257-L260 WeakPolarHBondContact O-CB 3.47Å; K257-L260 PolarHBondContact O-N 3.3Å; E258-L260 VanDerWaalsContact C-N 3.25Å; E258-L260 PolarHBondContact O-N 2.81Å; L260-I262 PolarHBondContact O-N 2.91Å; L260-L283 HydrophobicContact CD1-CD1 4.16Å; L260-L283 HydrophobicContact CD1-CD2 3.93Å; L260-L283 HydrophobicContact CD1-CG 4.41Å; L260-E329 CarbonylContact C-O 3.57Å; L260-E329 WeakPolarHBondContact CA-O 3.37Å; L260-E329 HydrophobicContact CD2-CB 4.2Å; L260-Y331 HydrophobicContact CD1-CD2 4.15Å
261I89.3Confident87.2Confident24 Ų2428.7 Ų28.712%0.12314%0.141CC..EExtended strand (participates in β ladder)trans-77.3113.7172.8-64.8163.6000107.1M254 I256 Y316 W328 E329 Y331M254-I261 HydrophobicContact CE-CB 4.33Å; M254-I261 HydrophobicContact CE-CD1 3.87Å; M254-I261 HydrophobicContact CE-CG1 4.1Å; M254-I261 HydrophobicContact CE-CG2 3.29Å; I256-I261 HydrophobicContact CG1-CG1 3.85Å; I261-Y316 HydrophobicContact CD1-CE1 4.04Å; I261-Y316 HydrophobicContact CD1-CE2 4.14Å; I261-Y316 WeakPolarHBondContact CD1-OH 3.5Å; I261-W328 HydrophobicContact CD1-CB 3.9Å; I261-W328 HydrophobicContact CG1-CB 3.95Å; I261-E329 PolarHBondContact N-O 2.81Å; I261-Y331 WeakPolarHBondContact O-CB 3.46Å; I261-Y331 PolarHBondContact O-N 3.12Å
262I89.8Confident86.8Confident2 Ų225.7 Ų25.71%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-92.8128.8-176.9-45.4-167.6000110.8I227 Y255 K257 L260 H266 F271 F284I227-I262 HydrophobicContact CD1-CB 3.73Å; I227-I262 HydrophobicContact CD1-CD1 4.36Å; I227-I262 HydrophobicContact CD1-CG2 3.1Å; Y255-I262 HydrophobicContact CD1-CB 4.11Å; Y255-I262 HydrophobicContact CD1-CD1 3.75Å; Y255-I262 HydrophobicContact CD1-CG1 3.98Å; Y255-I262 HydrophobicContact CE1-CD1 3.77Å; Y255-I262 HydrophobicContact CE1-CG1 4.45Å; Y255-I262 PolarHBondContact O-N 3.28Å; K257-I262 HydrophobicContact CB-CD1 3.95Å; L260-I262 PolarHBondContact O-N 2.91Å; I262-H266 HydrophobicContact CG2-CB 4.42Å; I262-F271 HydrophobicContact CB-CZ 4.5Å; I262-F271 HydrophobicContact CD1-CE1 4.48Å; I262-F271 HydrophobicContact CD1-CE2 4.45Å; I262-F271 HydrophobicContact CD1-CZ 4.29Å; I262-F271 HydrophobicContact CG2-CE1 3.95Å; I262-F271 HydrophobicContact CG2-CE2 3.65Å; I262-F271 HydrophobicContact CG2-CZ 3.12Å; I262-F284 HydrophobicContact CD1-CE2 4.12Å; I262-F284 HydrophobicContact CD1-CZ 4.13Å
263P90.3Very high86.4Confident38 Ų3826.9 Ų26.925%0.24714%0.14CC..  trans-63.7152.8175.1-22.332.7000114H265 H266P263-H265 VanDerWaalsContact C-N 3.29Å; P263-H265 WeakPolarHBondContact CB-CE1 3.31Å; P263-H265 WeakPolarHBondContact CB-ND1 3.44Å; P263-H265 PolarHBondContact O-N 3.38Å; P263-H266 PolarHBondContact O-N 2.75Å
264H89.7Confident85.8Confident27 Ų2730.9 Ų30.913%0.12516%0.164CC..THydrogen-bonded Turntrans-68.5-25.4-175.9-62.4179000114.2Q228 E251 L253Q228-H264 HydrophobicContact CB-CB 4.23Å; Q228-H264 PolarHBondContact N-O 2.77Å; E251-H264 IonicContact OE2-ND1 2.71Å; E251-H264 PolarHBondContact OE2-ND1 2.95Å; L253-H264 PolarHBondContact O-CE1 2.93Å; L253-H264 PolarHBondContact O-NE2 3.19Å
265H88.6Confident85Confident138 Ų13838.3 Ų38.364%0.63920%0.196SC*.THydrogen-bonded Turntrans-82.6-13-175.559.9-91.8000113.8P263P263-H265 VanDerWaalsContact C-N 3.29Å; P263-H265 WeakPolarHBondContact CB-CE1 3.31Å; P263-H265 WeakPolarHBondContact CB-ND1 3.44Å; P263-H265 PolarHBondContact O-N 3.38Å
266H88.7Confident83.8Confident30 Ų3038.7 Ų38.714%0.13920%0.199CC..  trans-78.2145.5177.8-77.560.7000111I227 I262 P263 F271 Y331I227-H266 HydrophobicContact CD1-CB 4.29Å; I227-H266 WeakPolarHBondContact CG1-O 3.39Å; I227-H266 PolarHBondContact N-O 2.86Å; I262-H266 HydrophobicContact CG2-CB 4.42Å; P263-H266 PolarHBondContact O-N 2.75Å; H266-F271 HydrophobicContact CB-CE2 3.44Å; H266-F271 VanDerWaalsContact CB-CE2 3.44Å; H266-F271 HydrophobicContact CB-CZ 3.38Å; H266-F271 AromaticContact CD2-CE1 3.96Å; H266-F271 AromaticContact CD2-CZ 3.47Å; H266-F271 VanDerWaalsContact CD2-CZ 3.47Å; H266-F271 WeakPolarHBondContact CD2-CZ 3.31Å; H266-F271 AromaticContact CG-CZ 3.66Å; H266-Y331 AromaticContact NE2-CD1 3.99Å; H266-Y331 AromaticContact NE2-CE1 3.81Å
267S89.6Confident82.7Confident13 Ų1345.2 Ų45.29%0.09122%0.224CC..BIsolated β-bridgetrans-97.8155.717371.90000111.6Y269 D270 F271S267-Y269 PolarHBondContact O-N 3.27Å; S267-Y269 WeakPolarHBondContact OG-CB 3.44Å; S267-D270 WeakPolarHBondContact CB-OD2 3.44Å; S267-D270 PolarHBondContact N-OD2 3.46Å; S267-D270 PolarHBondContact O-N 2.9Å; S267-D270 VanDerWaalsContact O-N 3.16Å; S267-D270 PolarHBondContact OG-N 3.35Å; S267-D270 PolarHBondContact OG-OD1 2.85Å; S267-D270 PolarHBondContact OG-OD2 2.81Å; S267-F271 WeakPolarHBondContact O-CD2 3.49Å; S267-F271 WeakPolarHBondContact O-CE2 3.39Å
268F86.1Confident81.8Confident1 Ų144.6 Ų44.60%0.00422%0.222CC..Hα-helixtrans-60.7-32.6172.7-64.4-77.7000111.3I205 M221 K223 N225 I227 F230 D270 F271 I272 F284 F286I205-F268 HydrophobicContact CD1-CD1 3.78Å; I205-F268 HydrophobicContact CD1-CD2 3.87Å; I205-F268 HydrophobicContact CD1-CE1 3.45Å; I205-F268 VanDerWaalsContact CD1-CE1 3.45Å; I205-F268 HydrophobicContact CD1-CE2 3.56Å; I205-F268 HydrophobicContact CD1-CG 3.98Å; I205-F268 HydrophobicContact CD1-CZ 3.34Å; M221-F268 HydrophobicContact SD-CD2 4.46Å; M221-F268 HydrophobicContact SD-CE2 3.86Å; K223-F268 CarbonylContact O-C 3.44Å; K223-F268 WeakPolarHBondContact O-CB 3.27Å; K223-F268 PolarHBondContact O-N 2.81Å; N225-F268 WeakPolarHBondContact O-CD2 3.29Å; N225-F268 PolarHBondContact O-N 2.91Å; I227-F268 HydrophobicContact CG1-CE1 4.3Å; I227-F268 HydrophobicContact CG1-CE2 4.27Å; I227-F268 HydrophobicContact CG1-CZ 3.94Å; F230-F268 HydrophobicContact CB-CE2 3.68Å; F230-F268 HydrophobicContact CB-CZ 3.78Å; F230-F268 HydrophobicContact CD1-CZ 4.37Å; F230-F268 HydrophobicContact CD2-CE2 4.31Å; F230-F268 AromaticContact CD2-CZ 3.89Å; F230-F268 HydrophobicContact CD2-CZ 3.89Å; F230-F268 HydrophobicContact CG-CE2 4.14Å; F230-F268 AromaticContact CG-CZ 3.75Å; F230-F268 HydrophobicContact CG-CZ 3.75Å; F268-D270 VanDerWaalsContact C-N 3.32Å; F268-D270 PolarHBondContact O-N 3.06Å; F268-F271 PolarHBondContact O-N 3.4Å; F268-I272 WeakPolarHBondContact O-CD1 3.43Å; F268-I272 VanDerWaalsContact O-CG1 3.22Å; F268-I272 WeakPolarHBondContact O-CG1 3.22Å; F268-I272 PolarHBondContact O-N 3.04Å; F268-I272 VanDerWaalsContact O-N 3.14Å; F268-F284 AromaticContact CD1-CE1 3.86Å; F268-F284 HydrophobicContact CD1-CE1 3.86Å; F268-F284 HydrophobicContact CD1-CE2 4.34Å; F268-F284 AromaticContact CD1-CZ 3.73Å; F268-F284 HydrophobicContact CD1-CZ 3.73Å; F268-F284 AromaticContact CE1-CE1 3.85Å; F268-F284 HydrophobicContact CE1-CE1 3.85Å; F268-F284 AromaticContact CE1-CZ 3.73Å; F268-F284 HydrophobicContact CE1-CZ 3.73Å; F268-F286 HydrophobicContact CD1-CZ 4.36Å
269Y86.1Confident81.1Confident16 Ų1644.6 Ų44.66%0.06322%0.222CC..Hα-helixtrans-54.1-45.8173.6-178.3-99.1000112.4Q195 I198 K199 K223 S267 F271 I272 V273Q195-Y269 PolarHBondContact NE2-OH 3.44Å; Q195-Y269 VanDerWaalsContact OE1-CZ 3.23Å; Q195-Y269 PolarHBondContact OE1-OH 3.26Å; I198-Y269 HydrophobicContact CB-CD2 4.43Å; I198-Y269 HydrophobicContact CB-CE2 3.86Å; I198-Y269 HydrophobicContact CG2-CD2 3.85Å; I198-Y269 HydrophobicContact CG2-CE2 3.51Å; K199-Y269 HydrophobicContact CG-CD1 4.28Å; K199-Y269 HydrophobicContact CG-CD2 3.7Å; K199-Y269 HydrophobicContact CG-CE2 4.19Å; K199-Y269 HydrophobicContact CG-CG 3.78Å; K223-Y269 PolarHBondContact O-N 3.29Å; S267-Y269 PolarHBondContact O-N 3.27Å; S267-Y269 WeakPolarHBondContact OG-CB 3.44Å; Y269-F271 VanDerWaalsContact C-N 3.32Å; Y269-F271 PolarHBondContact O-N 3.24Å; Y269-I272 WeakPolarHBondContact O-CB 3Å; Y269-I272 PolarHBondContact O-N 3.41Å; Y269-I272 VanDerWaalsContact O-N 3.11Å; Y269-V273 HydrophobicContact CD1-CG2 4.09Å; Y269-V273 HydrophobicContact CD2-CG2 4.34Å; Y269-V273 HydrophobicContact CE1-CG2 3.48Å; Y269-V273 VanDerWaalsContact CE1-CG2 3.48Å; Y269-V273 HydrophobicContact CE2-CG2 3.76Å; Y269-V273 HydrophobicContact CG-CG2 4.46Å; Y269-V273 WeakPolarHBondContact O-CG2 3.47Å; Y269-V273 PolarHBondContact O-N 3.19Å; Y269-V273 WeakPolarHBondContact OH-CG2 3.28Å
270D85.5Confident80Confident66 Ų6645 Ų4535%0.35323%0.227SC..Hα-helixtrans-62.6-40.4-178.1-56.4-39.9000111.7S267 F268 I272 T274S267-D270 WeakPolarHBondContact CB-OD2 3.44Å; S267-D270 PolarHBondContact N-OD2 3.46Å; S267-D270 PolarHBondContact O-N 2.9Å; S267-D270 VanDerWaalsContact O-N 3.16Å; S267-D270 PolarHBondContact OG-N 3.35Å; S267-D270 PolarHBondContact OG-OD1 2.85Å; S267-D270 PolarHBondContact OG-OD2 2.81Å; F268-D270 VanDerWaalsContact C-N 3.32Å; F268-D270 PolarHBondContact O-N 3.06Å; D270-I272 VanDerWaalsContact C-N 3.31Å; D270-I272 PolarHBondContact O-N 3.42Å; D270-T274 WeakPolarHBondContact O-CB 3.06Å; D270-T274 VanDerWaalsContact O-CG2 3.29Å; D270-T274 WeakPolarHBondContact O-CG2 3.01Å; D270-T274 PolarHBondContact O-N 3.15Å; D270-T274 PolarHBondContact O-OG1 3.26Å
271F81.4Confident78.9Confident4 Ų445.9 Ų45.92%0.01824%0.236CC..Hα-helixtrans-68.4-30.8177-62.1-68.8000113.1I227 I262 H266 S267 F268 Y269 T274 K275 A276 L283 F284 Y331I227-F271 HydrophobicContact CD1-CE2 3.67Å; I227-F271 HydrophobicContact CD1-CZ 4.26Å; I262-F271 HydrophobicContact CB-CZ 4.5Å; I262-F271 HydrophobicContact CD1-CE1 4.48Å; I262-F271 HydrophobicContact CD1-CE2 4.45Å; I262-F271 HydrophobicContact CD1-CZ 4.29Å; I262-F271 HydrophobicContact CG2-CE1 3.95Å; I262-F271 HydrophobicContact CG2-CE2 3.65Å; I262-F271 HydrophobicContact CG2-CZ 3.12Å; H266-F271 HydrophobicContact CB-CE2 3.44Å; H266-F271 VanDerWaalsContact CB-CE2 3.44Å; H266-F271 HydrophobicContact CB-CZ 3.38Å; H266-F271 AromaticContact CD2-CE1 3.96Å; H266-F271 AromaticContact CD2-CZ 3.47Å; H266-F271 VanDerWaalsContact CD2-CZ 3.47Å; H266-F271 WeakPolarHBondContact CD2-CZ 3.31Å; H266-F271 AromaticContact CG-CZ 3.66Å; S267-F271 WeakPolarHBondContact O-CD2 3.49Å; S267-F271 WeakPolarHBondContact O-CE2 3.39Å; F268-F271 PolarHBondContact O-N 3.4Å; Y269-F271 VanDerWaalsContact C-N 3.32Å; Y269-F271 PolarHBondContact O-N 3.24Å; F271-T274 WeakPolarHBondContact CA-OG1 3.41Å; F271-T274 PolarHBondContact O-OG1 3.33Å; F271-K275 WeakPolarHBondContact O-CA 3.44Å; F271-K275 PolarHBondContact O-N 2.8Å; F271-K275 VanDerWaalsContact O-N 3.16Å; F271-A276 HydrophobicContact CD1-CB 3.96Å; F271-A276 PolarHBondContact O-N 2.83Å; F271-A276 VanDerWaalsContact O-N 3.13Å; F271-L283 HydrophobicContact CD1-CD1 4.22Å; F271-F284 HydrophobicContact CB-CD2 3.68Å; F271-F284 HydrophobicContact CB-CE2 3.85Å; F271-F284 AromaticContact CD2-CE2 3.9Å; F271-F284 HydrophobicContact CD2-CE2 3.9Å; F271-F284 HydrophobicContact CG-CD2 4.18Å; F271-F284 AromaticContact CG-CE2 3.83Å; F271-F284 HydrophobicContact CG-CE2 3.83Å; F271-Y331 HydrophobicContact CD1-CE1 4.21Å; F271-Y331 HydrophobicContact CD1-CE2 4.31Å; F271-Y331 AromaticContact CD1-CZ 3.9Å; F271-Y331 AromaticContact CE1-CD1 3.75Å; F271-Y331 HydrophobicContact CE1-CD1 3.75Å; F271-Y331 HydrophobicContact CE1-CD2 4.26Å; F271-Y331 AromaticContact CE1-CE1 3.39Å; F271-Y331 HydrophobicContact CE1-CE1 3.39Å; F271-Y331 AromaticContact CE1-CE2 3.95Å; F271-Y331 HydrophobicContact CE1-CE2 3.95Å; F271-Y331 HydrophobicContact CE1-CG 4.16Å; F271-Y331 AromaticContact CE1-CZ 3.5Å; F271-Y331 VanDerWaalsContact CE1-CZ 3.5Å; F271-Y331 HydrophobicContact CZ-CD1 4.3Å; F271-Y331 HydrophobicContact CZ-CE1 4.22Å
272I79.9Confident78Confident42 Ų4246.9 Ų46.922%0.21525%0.245CC..Hα-helixtrans-71.7-47.6177.9-68.1169.7000110.5I203 K223 F268 Y269 D270 K275 F286I203-I272 HydrophobicContact CD1-CD1 3.84Å; K223-I272 HydrophobicContact CB-CD1 4.23Å; K223-I272 HydrophobicContact CD-CD1 3.7Å; K223-I272 HydrophobicContact CG-CD1 4.36Å; F268-I272 WeakPolarHBondContact O-CD1 3.43Å; F268-I272 VanDerWaalsContact O-CG1 3.22Å; F268-I272 WeakPolarHBondContact O-CG1 3.22Å; F268-I272 PolarHBondContact O-N 3.04Å; F268-I272 VanDerWaalsContact O-N 3.14Å; Y269-I272 WeakPolarHBondContact O-CB 3Å; Y269-I272 PolarHBondContact O-N 3.41Å; Y269-I272 VanDerWaalsContact O-N 3.11Å; D270-I272 VanDerWaalsContact C-N 3.31Å; D270-I272 PolarHBondContact O-N 3.42Å; I272-K275 WeakPolarHBondContact O-CG 3.48Å; I272-K275 PolarHBondContact O-N 3.24Å; I272-F286 HydrophobicContact CD1-CD2 3.36Å; I272-F286 HydrophobicContact CD1-CE2 3.68Å; I272-F286 HydrophobicContact CD1-CG 4.27Å; I272-F286 HydrophobicContact CG1-CD2 3.47Å; I272-F286 VanDerWaalsContact CG1-CD2 3.47Å; I272-F286 HydrophobicContact CG1-CE2 3.79Å
273V80.6Confident76.9Confident86 Ų8646.9 Ų46.952%0.52125%0.245SC..Hα-helixtrans-64.9-46-179.8174.50000111Y269 K275Y269-V273 HydrophobicContact CD1-CG2 4.09Å; Y269-V273 HydrophobicContact CD2-CG2 4.34Å; Y269-V273 HydrophobicContact CE1-CG2 3.48Å; Y269-V273 VanDerWaalsContact CE1-CG2 3.48Å; Y269-V273 HydrophobicContact CE2-CG2 3.76Å; Y269-V273 HydrophobicContact CG-CG2 4.46Å; Y269-V273 WeakPolarHBondContact O-CG2 3.47Å; Y269-V273 PolarHBondContact O-N 3.19Å; Y269-V273 WeakPolarHBondContact OH-CG2 3.28Å; V273-K275 PolarHBondContact O-N 3.05Å
274T76.4Confident75.8Confident84 Ų8446.1 Ų46.152%0.51524%0.238SC..THydrogen-bonded Turntrans-71.6-10.3179.155.40000112.8D270 F271 A276D270-T274 WeakPolarHBondContact O-CB 3.06Å; D270-T274 VanDerWaalsContact O-CG2 3.29Å; D270-T274 WeakPolarHBondContact O-CG2 3.01Å; D270-T274 PolarHBondContact O-N 3.15Å; D270-T274 PolarHBondContact O-OG1 3.26Å; F271-T274 WeakPolarHBondContact CA-OG1 3.41Å; F271-T274 PolarHBondContact O-OG1 3.33Å; T274-A276 PolarHBondContact O-N 2.91Å
275K71.3Confident74.3Confident168 Ų16848 Ų4873%0.7325%0.253SS*.THydrogen-bonded Turntrans43.947.1-170.2-63.2-174.1179.2-175.50110.4F271 I272 V273 R277F271-K275 WeakPolarHBondContact O-CA 3.44Å; F271-K275 PolarHBondContact O-N 2.8Å; F271-K275 VanDerWaalsContact O-N 3.16Å; I272-K275 WeakPolarHBondContact O-CG 3.48Å; I272-K275 PolarHBondContact O-N 3.24Å; V273-K275 PolarHBondContact O-N 3.05Å; K275-R277 PolarHBondContact O-N 3.49Å; K275-R277 VanDerWaalsContact O-N 3.14Å
276A67.1Low72.7Confident9 Ų943.5 Ų43.57%0.07423%0.232CC..  trans-54.6122.3-170.200000110.2F271 T274 L283 Y331F271-A276 HydrophobicContact CD1-CB 3.96Å; F271-A276 PolarHBondContact O-N 2.83Å; F271-A276 VanDerWaalsContact O-N 3.13Å; T274-A276 PolarHBondContact O-N 2.91Å; A276-L283 HydrophobicContact CB-CD1 3.77Å; A276-L283 HydrophobicContact CB-CG 4.37Å; A276-L283 WeakPolarHBondContact O-CB 3.27Å; A276-L283 PolarHBondContact O-N 3.2Å; A276-Y331 HydrophobicContact CB-CE2 4.07Å; A276-Y331 VanDerWaalsContact CB-OH 3.31Å; A276-Y331 WeakPolarHBondContact CB-OH 3.21Å
277R65.6Low70.4Confident140 Ų14048.6 Ų48.653%0.52826%0.261SS..EExtended strand (participates in β ladder)trans-101.1127.5177.3-76.5-175.4161157.1-5109.3K275K275-R277 PolarHBondContact O-N 3.49Å; K275-R277 VanDerWaalsContact O-N 3.14Å
278G66.9Low68Low3 Ų353.8 Ų53.83%0.03129%0.291CS..EExtended strand (participates in β ladder)trans-94.2-171.6170.100000112S280 G281 W337G278-S280 PolarHBondContact O-N 2.71Å; G278-G281 PolarHBondContact N-O 3.36Å; G278-G281 PolarHBondContact O-N 3Å; G278-W337 WeakPolarHBondContact O-CB 3.25Å
279K64.9Low65.6Low13 Ų1361.3 Ų61.36%0.05733%0.326CS..THydrogen-bonded Turntrans-61.8-26.8-178.7-42.5-161.3-176.71790113.2R327 E329 W337K279-R327 PolarHBondContact NZ-O 3.2Å; K279-E329 IonicContact NZ-OE1 3.94Å; K279-E329 PolarHBondContact NZ-OE1 3.46Å; K279-E329 IonicContact NZ-OE2 3Å; K279-W337 HydrophobicContact CB-CE3 3.95Å; K279-W337 HydrophobicContact CB-CZ3 4.05Å; K279-W337 HydrophobicContact CD-CE3 4.23Å; K279-W337 HydrophobicContact CD-CH2 3.51Å; K279-W337 HydrophobicContact CD-CZ2 4.2Å; K279-W337 HydrophobicContact CD-CZ3 3.51Å; K279-W337 HydrophobicContact CG-CD2 3.98Å; K279-W337 HydrophobicContact CG-CE3 3.57Å; K279-W337 HydrophobicContact CG-CH2 3.59Å; K279-W337 HydrophobicContact CG-CZ2 3.93Å; K279-W337 HydrophobicContact CG-CZ3 3.37Å
280S57.8Low63.1Low38 Ų3867.3 Ų67.327%0.26636%0.359SS..THydrogen-bonded Turntrans-108.812-175-165.30000114E258 G278E258-S280 WeakPolarHBondContact OE2-CB 3.36Å; G278-S280 PolarHBondContact O-N 2.71Å
281G62.4Low60.7Low21 Ų2170.9 Ų70.922%0.21638%0.379CS..EExtended strand (participates in β ladder)trans116.3-163.5-177.900000113.6G278 L283G278-G281 PolarHBondContact N-O 3.36Å; G278-G281 PolarHBondContact O-N 3Å; G281-L283 PolarHBondContact O-N 3.17Å
282P68.8Low58.8Low46 Ų4677.3 Ų77.330%0.29941%0.411SS..EExtended strand (participates in β ladder)trans-56.2130.5179.4-21.732.8000111.9F284P282-F284 VanDerWaalsContact C-N 3.25Å; P282-F284 PolarHBondContact O-N 2.71Å
283L67.8Low56.8Low1 Ų181.9 Ų81.91%0.00543%0.426CS..SBendtrans-63.7-34.5179.2-78.4-178.1000112.2K257 E258 L260 F271 A276 G281 Y331K257-L283 HydrophobicContact CB-CD2 4.32Å; K257-L283 WeakPolarHBondContact CE-O 3.41Å; K257-L283 HydrophobicContact CG-CD2 4Å; K257-L283 WeakPolarHBondContact CG-O 3.49Å; K257-L283 PolarHBondContact NZ-O 2.79Å; E258-L283 HydrophobicContact CB-CD2 3.95Å; E258-L283 HydrophobicContact CG-CD2 4.29Å; L260-L283 HydrophobicContact CD1-CD1 4.16Å; L260-L283 HydrophobicContact CD1-CD2 3.93Å; L260-L283 HydrophobicContact CD1-CG 4.41Å; F271-L283 HydrophobicContact CD1-CD1 4.22Å; A276-L283 HydrophobicContact CB-CD1 3.77Å; A276-L283 HydrophobicContact CB-CG 4.37Å; A276-L283 WeakPolarHBondContact O-CB 3.27Å; A276-L283 PolarHBondContact O-N 3.2Å; G281-L283 PolarHBondContact O-N 3.17Å; L283-Y331 HydrophobicContact CD1-CD2 4.02Å; L283-Y331 HydrophobicContact CD1-CE2 3.75Å
284F67.5Low55.1Low23 Ų2385.4 Ų85.410%0.10144%0.441CS..  trans-141.8116.7176-59.5-86.3000110.6Y255 K257 I262 F268 F271 P282 F286Y255-F284 HydrophobicContact CE1-CE1 4.49Å; Y255-F284 HydrophobicContact CE1-CZ 4.02Å; K257-F284 HydrophobicContact CG-CZ 4.43Å; I262-F284 HydrophobicContact CD1-CE2 4.12Å; I262-F284 HydrophobicContact CD1-CZ 4.13Å; F268-F284 AromaticContact CD1-CE1 3.86Å; F268-F284 HydrophobicContact CD1-CE1 3.86Å; F268-F284 HydrophobicContact CD1-CE2 4.34Å; F268-F284 AromaticContact CD1-CZ 3.73Å; F268-F284 HydrophobicContact CD1-CZ 3.73Å; F268-F284 AromaticContact CE1-CE1 3.85Å; F268-F284 HydrophobicContact CE1-CE1 3.85Å; F268-F284 AromaticContact CE1-CZ 3.73Å; F268-F284 HydrophobicContact CE1-CZ 3.73Å; F271-F284 HydrophobicContact CB-CD2 3.68Å; F271-F284 HydrophobicContact CB-CE2 3.85Å; F271-F284 AromaticContact CD2-CE2 3.9Å; F271-F284 HydrophobicContact CD2-CE2 3.9Å; F271-F284 HydrophobicContact CG-CD2 4.18Å; F271-F284 AromaticContact CG-CE2 3.83Å; F271-F284 HydrophobicContact CG-CE2 3.83Å; P282-F284 VanDerWaalsContact C-N 3.25Å; P282-F284 PolarHBondContact O-N 2.71Å; F284-F286 HydrophobicContact CB-CD2 3.49Å; F284-F286 VanDerWaalsContact CB-CD2 3.49Å; F284-F286 HydrophobicContact CB-CE1 4.39Å; F284-F286 HydrophobicContact CB-CE2 3.15Å; F284-F286 HydrophobicContact CB-CG 4.34Å; F284-F286 HydrophobicContact CB-CZ 3.68Å; F284-F286 HydrophobicContact CD1-CE1 4.02Å; F284-F286 AromaticContact CD1-CE2 3.54Å; F284-F286 HydrophobicContact CD1-CE2 3.54Å; F284-F286 AromaticContact CD1-CZ 3.19Å; F284-F286 HydrophobicContact CD1-CZ 3.19Å; F284-F286 HydrophobicContact CD2-CE2 4.28Å; F284-F286 HydrophobicContact CE1-CE2 4.46Å; F284-F286 AromaticContact CE1-CZ 3.94Å; F284-F286 HydrophobicContact CE1-CZ 3.94Å; F284-F286 HydrophobicContact CG-CD2 4.26Å; F284-F286 AromaticContact CG-CE2 3.42Å; F284-F286 HydrophobicContact CG-CE2 3.42Å; F284-F286 VanDerWaalsContact CG-CE2 3.42Å; F284-F286 AromaticContact CG-CZ 3.63Å; F284-F286 HydrophobicContact CG-CZ 3.63Å
285S56.4Low53.3Low65 Ų6587 Ų8746%0.45545%0.451SS..  trans-93.789.9163.952.50000108D287 S305S285-D287 VanDerWaalsContact C-N 3.33Å; S285-S305 PolarHBondContact OG-OG 2.81Å
286F56.4Low52Low45 Ų4587.1 Ų87.120%0.19746%0.459CS..  trans-98.112.6170.1-58.4-65.1000112.1I203 I205 F268 I272 F284 V288I203-F286 HydrophobicContact CB-CD1 4.41Å; I203-F286 HydrophobicContact CB-CE1 4.33Å; I203-F286 HydrophobicContact CD1-CB 4.43Å; I203-F286 HydrophobicContact CD1-CD1 3.84Å; I203-F286 HydrophobicContact CD1-CD2 3.85Å; I203-F286 HydrophobicContact CD1-CE1 3.92Å; I203-F286 HydrophobicContact CD1-CE2 3.83Å; I203-F286 HydrophobicContact CD1-CG 3.79Å; I203-F286 HydrophobicContact CD1-CZ 3.86Å; I203-F286 HydrophobicContact CG1-CD1 4.1Å; I203-F286 HydrophobicContact CG1-CE1 4.37Å; I203-F286 HydrophobicContact CG1-CG 4.34Å; I203-F286 HydrophobicContact CG2-CD1 3.39Å; I203-F286 HydrophobicContact CG2-CE1 3.08Å; I203-F286 HydrophobicContact CG2-CG 4.36Å; I203-F286 HydrophobicContact CG2-CZ 3.8Å; I205-F286 HydrophobicContact CG1-CE1 4.44Å; F268-F286 HydrophobicContact CD1-CZ 4.36Å; I272-F286 HydrophobicContact CD1-CD2 3.36Å; I272-F286 HydrophobicContact CD1-CE2 3.68Å; I272-F286 HydrophobicContact CD1-CG 4.27Å; I272-F286 HydrophobicContact CG1-CD2 3.47Å; I272-F286 VanDerWaalsContact CG1-CD2 3.47Å; I272-F286 HydrophobicContact CG1-CE2 3.79Å; F284-F286 HydrophobicContact CB-CD2 3.49Å; F284-F286 VanDerWaalsContact CB-CD2 3.49Å; F284-F286 HydrophobicContact CB-CE1 4.39Å; F284-F286 HydrophobicContact CB-CE2 3.15Å; F284-F286 HydrophobicContact CB-CG 4.34Å; F284-F286 HydrophobicContact CB-CZ 3.68Å; F284-F286 HydrophobicContact CD1-CE1 4.02Å; F284-F286 AromaticContact CD1-CE2 3.54Å; F284-F286 HydrophobicContact CD1-CE2 3.54Å; F284-F286 AromaticContact CD1-CZ 3.19Å; F284-F286 HydrophobicContact CD1-CZ 3.19Å; F284-F286 HydrophobicContact CD2-CE2 4.28Å; F284-F286 HydrophobicContact CE1-CE2 4.46Å; F284-F286 AromaticContact CE1-CZ 3.94Å; F284-F286 HydrophobicContact CE1-CZ 3.94Å; F284-F286 HydrophobicContact CG-CD2 4.26Å; F284-F286 AromaticContact CG-CE2 3.42Å; F284-F286 HydrophobicContact CG-CE2 3.42Å; F284-F286 VanDerWaalsContact CG-CE2 3.42Å; F284-F286 AromaticContact CG-CZ 3.63Å; F284-F286 HydrophobicContact CG-CZ 3.63Å; F286-V288 PolarHBondContact O-N 2.64Å
287D40.1Very low50.6Low137 Ų13791.4 Ų91.473%0.73348%0.481SS*.SBendtrans-67.5127.9173.2-156.1-1.6000108.1S285 H289S285-D287 VanDerWaalsContact C-N 3.33Å; D287-H289 VanDerWaalsContact C-N 3.25Å; D287-H289 PolarHBondContact O-N 2.72Å
288V38.4Very low49.5Very low122 Ų12289.7 Ų89.774%0.73950%0.497SS*.SBendtrans-70.683.1-172.4176.30000108F286F286-V288 PolarHBondContact O-N 2.64Å
289H36.7Very low48.6Very low158 Ų15895.3 Ų95.373%0.73153%0.53SS*.  trans-136.4104.5146.2-63.888.3000106D287 D291D287-H289 VanDerWaalsContact C-N 3.25Å; D287-H289 PolarHBondContact O-N 2.72Å; H289-D291 PolarHBondContact O-N 2.94Å
290D33Very low47.7Very low142 Ų14298 Ų9876%0.75955%0.548SS*.  trans-38.2124.6141.6-82.9-45.6000106.7I292D290-I292 HydrophobicContact CB-CD1 4.34Å; D290-I292 HydrophobicContact CB-CG1 3.97Å; D290-I292 PolarHBondContact O-N 3.18Å
291D36.3Very low47Very low142 Ų142104.1 Ų104.176%0.75957%0.572SS**  trans-67.865.4178.5-148.65.5000108.6H289 R293H289-D291 PolarHBondContact O-N 2.94Å; D291-R293 PolarHBondContact O-N 2.93Å; D291-R293 VanDerWaalsContact O-N 3.09Å
292I39.4Very low46.1Very low138 Ų138110.8 Ų110.871%0.70860%0.595SS**  trans-83.274.2169.9-50.1173.5000106D290D290-I292 HydrophobicContact CB-CD1 4.34Å; D290-I292 HydrophobicContact CB-CG1 3.97Å; D290-I292 PolarHBondContact O-N 3.18Å
293R38.8Very low45.1Very low138 Ų138113.8 Ų113.852%0.52161%0.609SS.*  trans-105.384.5161.5-71.9-174.9175.1166.82.1109D291 V295D291-R293 PolarHBondContact O-N 2.93Å; D291-R293 VanDerWaalsContact O-N 3.09Å; R293-V295 VanDerWaalsContact C-N 3.26Å; R293-V295 PolarHBondContact O-N 3.11Å; R293-V295 VanDerWaalsContact O-N 3.14Å
294L45.8Very low44.1Very low160 Ų160119.8 Ų119.884%0.83864%0.637SS**SBendtrans-65.797.5142.5-97.188.8000105.6
295V38.5Very low43.7Very low118 Ų118120.8 Ų120.872%0.71565%0.646SS**SBendtrans124113.2168.2-179.10000111.3R293 D297R293-V295 VanDerWaalsContact C-N 3.26Å; R293-V295 PolarHBondContact O-N 3.11Å; R293-V295 VanDerWaalsContact O-N 3.14Å; V295-D297 PolarHBondContact O-N 3.36Å; V295-D297 VanDerWaalsContact O-N 3.16Å
296N44.4Very low44.1Very low170 Ų170122.3 Ų122.391%0.90965%0.646SS**  trans-64.1103.8174.7-66.2-35.7000110.3
297D36.8Very low45.1Very low100 Ų100121.2 Ų121.254%0.53565%0.645SS.*  trans-107128.1165.1-165.7-1.8000109.4V295V295-D297 PolarHBondContact O-N 3.36Å; V295-D297 VanDerWaalsContact O-N 3.16Å
298A41.4Very low47.2Very low104 Ų104114.7 Ų114.786%0.8661%0.61SS**SBendtrans-99.18-165.500000114
299T49.6Very low49.6Very low120 Ų120110.8 Ų110.874%0.73658%0.584SS**SBendtrans-96.9-2.9-179.559.60000114.3
300V46.1Very low52.1Low69 Ų69103.3 Ų103.342%0.41855%0.549SS..SBendtrans-112123.2178.5-178.20000108.2K302V300-K302 PolarHBondContact O-N 3.16Å
301E43.5Very low54.8Low167 Ų16796.5 Ų96.578%0.7851%0.513SS*.  trans-51.2131177.4-73.3-177.6151.500110.1D303E301-D303 PolarHBondContact O-N 2.8Å
302K41.7Very low57.4Low162 Ų16291.3 Ų91.370%0.70449%0.485SS*.  trans-70.395178.4-168.4-175.2177.5-135.20107.6V300 E304V300-K302 PolarHBondContact O-N 3.16Å; K302-E304 IonicContact NZ-OE1 2.71Å; K302-E304 PolarHBondContact NZ-OE1 3.17Å; K302-E304 IonicContact NZ-OE2 2.86Å; K302-E304 PolarHBondContact NZ-OE2 3.34Å; K302-E304 PolarHBondContact O-N 3.41Å
303D48.6Very low59.7Low108 Ų10888.9 Ų88.958%0.57847%0.466SS*.  trans-73.665.1-178.2-79.3-31.8000111.6E301 S305E301-D303 PolarHBondContact O-N 2.8Å; D303-S305 PolarHBondContact O-N 3.44Å
304E47Very low62.1Low128 Ų12884.9 Ų84.960%0.59846%0.46SS*.  trans-78.871.3177-138164-158.500109.4K302 H306K302-E304 IonicContact NZ-OE1 2.71Å; K302-E304 PolarHBondContact NZ-OE1 3.17Å; K302-E304 IonicContact NZ-OE2 2.86Å; K302-E304 PolarHBondContact NZ-OE2 3.34Å; K302-E304 PolarHBondContact O-N 3.41Å; E304-H306 PolarHBondContact O-N 3.45Å
305S58.7Low64.1Low43 Ų4379.7 Ų79.730%0.30143%0.429SS..  trans-56.5111.3171.7-75.80000109.3S285 D303 A307S285-S305 PolarHBondContact OG-OG 2.81Å; D303-S305 PolarHBondContact O-N 3.44Å; S305-A307 PolarHBondContact O-N 3.49Å
306H65.4Low66.5Low98 Ų9876 Ų7645%0.45440%0.403SS..PPolyproline II helixtrans-63.1135.6179-63.593.8000110K257 E258 E304 G308K257-H306 WeakPolarHBondContact CD-O 3.31Å; K257-H306 WeakPolarHBondContact CE-O 3.47Å; E258-H306 WeakPolarHBondContact OE1-CA 3.3Å; E258-H306 VanDerWaalsContact OE1-CB 3.28Å; E258-H306 WeakPolarHBondContact OE1-CB 3.32Å; E258-H306 IonicContact OE1-CG 3.95Å; E258-H306 PolarHBondContact OE1-N 3.11Å; E258-H306 IonicContact OE1-ND1 2.64Å; E258-H306 PolarHBondContact OE1-ND1 3.14Å; E258-H306 IonicContact OE2-CE1 3.2Å; E258-H306 IonicContact OE2-CG 3.62Å; E258-H306 IonicContact OE2-ND1 3.9Å; E258-H306 PolarHBondContact OE2-ND1 3.37Å; E304-H306 PolarHBondContact O-N 3.45Å; H306-G308 PolarHBondContact O-N 3.37Å
307A77.3Confident68.6Low21 Ų2173.3 Ų73.317%0.17439%0.385CS..PPolyproline II helixtrans-53.7134.317300000110.3T206 S305 K309T206-A307 HydrophobicContact CG2-CB 3.88Å; S305-A307 PolarHBondContact O-N 3.49Å; A307-K309 PolarHBondContact O-N 3.2Å
308G84.7Confident71.1Confident0 Ų075.7 Ų75.70%039%0.39CS..EExtended strand (participates in β ladder)trans-62.2136.3-179.500000110.6T206 F207 S208 I256 H306T206-G308 PolarHBondContact O-N 3.15Å; F207-G308 CarbonylContact C-O 3.56Å; F207-G308 WeakPolarHBondContact CA-O 3.22Å; F207-G308 VanDerWaalsContact CB-O 3.29Å; F207-G308 WeakPolarHBondContact CB-O 3.35Å; S208-G308 PolarHBondContact N-O 2.89Å; I256-G308 CarbonylContact O-C 3.54Å; I256-G308 WeakPolarHBondContact O-CA 3.45Å; H306-G308 PolarHBondContact O-N 3.37Å
309K88.1Confident73.3Confident41 Ų4172.8 Ų72.818%0.17836%0.36CS..EExtended strand (participates in β ladder)trans-91.2133.5179.6-56.7-175.6-177.281.60109.9S208 I256 A307 V311 W328S208-K309 CarbonylContact O-C 3.36Å; S208-K309 VanDerWaalsContact O-CA 3.27Å; S208-K309 WeakPolarHBondContact O-CA 3.44Å; I256-K309 HydrophobicContact CB-CB 4.37Å; I256-K309 PolarHBondContact N-O 3.4Å; I256-K309 PolarHBondContact O-N 3.37Å; A307-K309 PolarHBondContact O-N 3.2Å; K309-V311 HydrophobicContact CB-CG2 4.35Å; K309-W328 HydrophobicContact CD-CZ2 4.12Å
310V90Very high75.1Confident0 Ų072.9 Ų72.90%035%0.35CS..EExtended strand (participates in β ladder)trans-108.5123.5172.7176.90000107.9F207 S208 Y209 W210 F230 L231 L253 M254 Y255F207-V310 HydrophobicContact CB-CG2 4.19Å; F207-V310 HydrophobicContact CD2-CB 4.26Å; F207-V310 HydrophobicContact CD2-CG2 3.57Å; F207-V310 HydrophobicContact CE2-CG2 4.29Å; F207-V310 HydrophobicContact CG-CG2 4.11Å; S208-V310 PolarHBondContact O-N 3.4Å; Y209-V310 WeakPolarHBondContact CA-O 3.36Å; Y209-V310 HydrophobicContact CD2-CG1 4.39Å; Y209-V310 WeakPolarHBondContact CD2-O 3.38Å; W210-V310 PolarHBondContact N-O 3.33Å; F230-V310 HydrophobicContact CE1-CG2 4.04Å; F230-V310 HydrophobicContact CZ-CG2 4.44Å; L231-V310 HydrophobicContact CD2-CG1 3.94Å; L231-V310 HydrophobicContact CD2-CG2 4.1Å; L253-V310 HydrophobicContact CB-CG1 4.48Å; L253-V310 HydrophobicContact CD1-CG1 4.18Å; L253-V310 HydrophobicContact CD2-CG1 4.01Å; L253-V310 HydrophobicContact CG-CG1 4.48Å; M254-V310 WeakPolarHBondContact O-CA 3.22Å; Y255-V310 HydrophobicContact CD2-CG2 3.97Å
311V89.6Confident76.9Confident0 Ų076.3 Ų76.30%036%0.361CS..EExtended strand (participates in β ladder)trans-134.9144.5-169.4-172.80000110W210 L253 M254 I256 K309 W315 W328W210-V311 HydrophobicContact CB-CG2 4.07Å; L253-V311 CarbonylContact C-O 3.55Å; L253-V311 WeakPolarHBondContact CA-O 3.32Å; M254-V311 PolarHBondContact N-O 3.06Å; M254-V311 PolarHBondContact O-N 3.17Å; I256-V311 HydrophobicContact CD1-CB 3.83Å; I256-V311 HydrophobicContact CD1-CG2 3.45Å; I256-V311 VanDerWaalsContact CD1-CG2 3.45Å; K309-V311 HydrophobicContact CB-CG2 4.35Å; V311-W315 HydrophobicContact CG1-CB 4.31Å; V311-W315 HydrophobicContact CG1-CD2 3.94Å; V311-W315 HydrophobicContact CG1-CE3 3.22Å; V311-W315 HydrophobicContact CG1-CG 4.42Å; V311-W315 HydrophobicContact CG1-CZ3 3.86Å; V311-W328 HydrophobicContact CB-CZ3 4.41Å; V311-W328 HydrophobicContact CG1-CZ3 4.28Å; V311-W328 HydrophobicContact CG2-CH2 3.72Å; V311-W328 HydrophobicContact CG2-CZ3 3.89Å
312L89.6Confident79Confident33 Ų3372.4 Ų72.417%0.17335%0.345CS..EExtended strand (participates in β ladder)trans-72.8134.6168.9-74.9165.9000110.7L245 A248 Q252 L253 S314 W315 Y316L245-L312 HydrophobicContact CD2-CD1 3.97Å; L245-L312 HydrophobicContact CD2-CD2 3.88Å; L245-L312 HydrophobicContact CD2-CG 4.05Å; A248-L312 HydrophobicContact CB-CD2 4.02Å; Q252-L312 HydrophobicContact CG-CD2 4.16Å; Q252-L312 CarbonylContact O-C 3.58Å; Q252-L312 WeakPolarHBondContact O-CA 3.11Å; L253-L312 HydrophobicContact CD2-CD2 3.77Å; L253-L312 HydrophobicContact CD2-CG 4.19Å; L312-S314 VanDerWaalsContact C-N 3.27Å; L312-S314 PolarHBondContact O-N 2.95Å; L312-W315 HydrophobicContact CB-CB 4.09Å; L312-W315 WeakPolarHBondContact O-CA 3.49Å; L312-W315 WeakPolarHBondContact O-CB 3.37Å; L312-W315 PolarHBondContact O-N 3.03Å; L312-Y316 PolarHBondContact O-N 3.46Å
313R88.9Confident80.7Confident86 Ų8672.7 Ų72.733%0.32535%0.347SS..Hα-helixtrans-54.1-42.9174.6178.9-174.1-58.5-77.8-3.5111.9Q252 M254 W315 Y316 E317Q252-R313 HydrophobicContact CG-CB 4.44Å; Q252-R313 WeakPolarHBondContact O-CB 3.24Å; Q252-R313 PolarHBondContact O-N 3.29Å; M254-R313 HydrophobicContact CG-CB 4.28Å; M254-R313 HydrophobicContact SD-CB 3.98Å; M254-R313 HydrophobicContact SD-CG 4.12Å; R313-W315 PolarHBondContact O-N 3.02Å; R313-Y316 PolarHBondContact O-N 3.45Å; R313-E317 HydrophobicContact CG-CG 4.47Å; R313-E317 WeakPolarHBondContact O-CG 3.35Å; R313-E317 PolarHBondContact O-N 3.36Å
314S88.8Confident82.2Confident55 Ų5568.8 Ų68.839%0.38533%0.327SS..Hα-helixtrans-58.6-34.8174.2-62.30000113.5Q252 L312 K318Q252-S314 PolarHBondContact NE2-OG 2.83Å; L312-S314 VanDerWaalsContact C-N 3.27Å; L312-S314 PolarHBondContact O-N 2.95Å; S314-K318 WeakPolarHBondContact O-CD 3.39Å; S314-K318 VanDerWaalsContact O-CG 3.3Å; S314-K318 WeakPolarHBondContact O-CG 3.1Å
315W88.2Confident83.9Confident50 Ų5062.7 Ų62.719%0.18930%0.299CS..Hα-helixtrans-74-44176.8-177.2103000110.1W210 D211 V311 L312 R313 E317 K318 N319 A325 W328W210-W315 AromaticContact CD1-CE2 3.98Å; W210-W315 AromaticContact CD1-CH2 3.29Å; W210-W315 AromaticContact CD1-CZ2 3.38Å; W210-W315 AromaticContact CD1-CZ3 3.8Å; W210-W315 AromaticContact NE1-CH2 3.09Å; W210-W315 AromaticContact NE1-CZ2 3.18Å; D211-W315 PolarHBondContact O-NE1 2.89Å; D211-W315 VanDerWaalsContact O-NE1 3.17Å; V311-W315 HydrophobicContact CG1-CB 4.31Å; V311-W315 HydrophobicContact CG1-CD2 3.94Å; V311-W315 HydrophobicContact CG1-CE3 3.22Å; V311-W315 HydrophobicContact CG1-CG 4.42Å; V311-W315 HydrophobicContact CG1-CZ3 3.86Å; L312-W315 HydrophobicContact CB-CB 4.09Å; L312-W315 WeakPolarHBondContact O-CA 3.49Å; L312-W315 WeakPolarHBondContact O-CB 3.37Å; L312-W315 PolarHBondContact O-N 3.03Å; R313-W315 PolarHBondContact O-N 3.02Å; W315-E317 PolarHBondContact O-N 2.83Å; W315-K318 PolarHBondContact O-N 2.93Å; W315-N319 HydrophobicContact CD2-CB 4.38Å; W315-N319 HydrophobicContact CE3-CB 4.24Å; W315-N319 HydrophobicContact CH2-CB 4.02Å; W315-N319 HydrophobicContact CZ2-CB 4.18Å; W315-N319 WeakPolarHBondContact CZ2-ND2 3.08Å; W315-N319 HydrophobicContact CZ3-CB 4.08Å; W315-N319 PolarHBondContact NE1-ND2 2.73Å; W315-N319 WeakPolarHBondContact O-CB 3.29Å; W315-N319 PolarHBondContact O-N 3.24Å; W315-N319 PolarHBondContact O-ND2 3.22Å; W315-A325 HydrophobicContact CZ3-CB 4.16Å; W315-W328 AromaticContact CZ3-CH2 3.91Å; W315-W328 HydrophobicContact CZ3-CH2 3.91Å; W315-W328 HydrophobicContact CZ3-CZ3 4.17Å
316Y88.8Confident85.1Confident41 Ų4163.9 Ų63.916%0.16131%0.307CS..Hα-helixtrans-60.9-46.9178.5175.2-110.5000111.6M254 I261 L312 R313 K318 N319 K320 A325 W328M254-Y316 HydrophobicContact CE-CD1 4.01Å; M254-Y316 HydrophobicContact CE-CE1 4.26Å; M254-Y316 HydrophobicContact SD-CD1 3.99Å; M254-Y316 HydrophobicContact SD-CG 4.36Å; I261-Y316 HydrophobicContact CD1-CE1 4.04Å; I261-Y316 HydrophobicContact CD1-CE2 4.14Å; I261-Y316 WeakPolarHBondContact CD1-OH 3.5Å; L312-Y316 PolarHBondContact O-N 3.46Å; R313-Y316 PolarHBondContact O-N 3.45Å; Y316-K318 VanDerWaalsContact C-N 3.27Å; Y316-K318 PolarHBondContact O-N 2.9Å; Y316-N319 CarbonylContact O-C 3.49Å; Y316-N319 PolarHBondContact O-N 3.31Å; Y316-N319 VanDerWaalsContact O-N 3.15Å; Y316-K320 HydrophobicContact CD2-CB 4.42Å; Y316-K320 HydrophobicContact CE2-CB 4.06Å; Y316-K320 WeakPolarHBondContact O-CA 3.26Å; Y316-K320 VanDerWaalsContact O-CB 3.25Å; Y316-K320 WeakPolarHBondContact O-CB 3.44Å; Y316-K320 PolarHBondContact O-N 3.32Å; Y316-A325 HydrophobicContact CD2-CB 4.16Å; Y316-A325 HydrophobicContact CE2-CB 4.27Å; Y316-W328 AromaticContact CD2-CE3 3.4Å; Y316-W328 HydrophobicContact CD2-CE3 3.4Å; Y316-W328 AromaticContact CD2-CZ3 3.59Å; Y316-W328 HydrophobicContact CD2-CZ3 3.59Å; Y316-W328 HydrophobicContact CE2-CB 4.22Å; Y316-W328 HydrophobicContact CE2-CD2 4.29Å; Y316-W328 AromaticContact CE2-CE3 3.46Å; Y316-W328 HydrophobicContact CE2-CE3 3.46Å; Y316-W328 VanDerWaalsContact CE2-CE3 3.46Å; Y316-W328 HydrophobicContact CE2-CZ3 4.14Å
317E88.6Confident86Confident113 Ų11362.4 Ų62.453%0.52830%0.298SS..Hα-helixtrans-61.1-36.2-179.5-74174.4-17800113.1R313 W315R313-E317 HydrophobicContact CG-CG 4.47Å; R313-E317 WeakPolarHBondContact O-CG 3.35Å; R313-E317 PolarHBondContact O-N 3.36Å; W315-E317 PolarHBondContact O-N 2.83Å
318K89.4Confident86.5Confident151 Ų15161.9 Ų61.966%0.65729%0.291SS*.Hα-helixtrans-71.5-42.5175.2-69.9175.3-175.9-178.90111.5S314 W315 Y316 H321S314-K318 WeakPolarHBondContact O-CD 3.39Å; S314-K318 VanDerWaalsContact O-CG 3.3Å; S314-K318 WeakPolarHBondContact O-CG 3.1Å; W315-K318 PolarHBondContact O-N 2.93Å; Y316-K318 VanDerWaalsContact C-N 3.27Å; Y316-K318 PolarHBondContact O-N 2.9Å; K318-H321 PolarHBondContact O-CE1 2.77Å; K318-H321 PolarHBondContact O-ND1 2.92Å
319N87.7Confident86.5Confident42 Ų4264.7 Ų64.723%0.22530%0.304CS..Hα-helixtrans-103.43.5-169-63.3-35.5000114.6W315 Y316 H321 I322 A325W315-N319 HydrophobicContact CD2-CB 4.38Å; W315-N319 HydrophobicContact CE3-CB 4.24Å; W315-N319 HydrophobicContact CH2-CB 4.02Å; W315-N319 HydrophobicContact CZ2-CB 4.18Å; W315-N319 WeakPolarHBondContact CZ2-ND2 3.08Å; W315-N319 HydrophobicContact CZ3-CB 4.08Å; W315-N319 PolarHBondContact NE1-ND2 2.73Å; W315-N319 WeakPolarHBondContact O-CB 3.29Å; W315-N319 PolarHBondContact O-N 3.24Å; W315-N319 PolarHBondContact O-ND2 3.22Å; Y316-N319 CarbonylContact O-C 3.49Å; Y316-N319 PolarHBondContact O-N 3.31Å; Y316-N319 VanDerWaalsContact O-N 3.15Å; N319-H321 PolarHBondContact O-N 2.87Å; N319-I322 PolarHBondContact O-N 3Å; N319-A325 WeakPolarHBondContact O-CB 3.41Å
320K86.6Confident86.4Confident122 Ų12267.5 Ų67.553%0.5333%0.327SS..THydrogen-bonded Turntrans-57.7-16.1-179.165.9178.7-177.6178.80114.8Y316 S326Y316-K320 HydrophobicContact CD2-CB 4.42Å; Y316-K320 HydrophobicContact CE2-CB 4.06Å; Y316-K320 WeakPolarHBondContact O-CA 3.26Å; Y316-K320 VanDerWaalsContact O-CB 3.25Å; Y316-K320 WeakPolarHBondContact O-CB 3.44Å; Y316-K320 PolarHBondContact O-N 3.32Å; K320-S326 WeakPolarHBondContact O-CA 3.2Å; K320-S326 WeakPolarHBondContact O-CB 3.39Å; K320-S326 PolarHBondContact O-N 2.93Å
321H84.3Confident86.2Confident141 Ų14168.8 Ų68.865%0.65333%0.332SS*.THydrogen-bonded Turntrans-92.1-7.4177.563.5-80.5000112.7K318 N319K318-H321 PolarHBondContact O-CE1 2.77Å; K318-H321 PolarHBondContact O-ND1 2.92Å; N319-H321 PolarHBondContact O-N 2.87Å
322I86.6Confident85.8Confident85 Ų8572.5 Ų72.544%0.43635%0.352SS..SBendtrans-107.4140.7-176.9-52.9177000108.6N319 A325 S326N319-I322 PolarHBondContact O-N 3Å; I322-A325 PolarHBondContact O-N 2.73Å; I322-S326 PolarHBondContact O-N 3.37Å; I322-S326 VanDerWaalsContact O-N 3.11Å
323F77.4Confident85.2Confident169 Ų16974.6 Ų74.674%0.74137%0.367SS*.THydrogen-bonded Turntrans-65.4135.2173.6179.9-93.2000110.6
324P80.9Confident84.5Confident25 Ų2578.8 Ų78.816%0.16239%0.391CS..THydrogen-bonded Turncis-92.4-5.7935.5-36.1000115.6S326 R327 W328P324-S326 PolarHBondContact O-N 2.87Å; P324-R327 PolarHBondContact O-N 3.27Å; P324-R327 VanDerWaalsContact O-N 3.13Å; P324-W328 HydrophobicContact CG-CZ2 4.23Å; P324-W328 PolarHBondContact O-NE1 2.89Å
325A83.1Confident83.7Confident1 Ų180.7 Ų80.71%0.00839%0.392CS..G310 helixtrans-63.9-25.5-174.100000113.6W315 Y316 N319 I322 R327 W328W315-A325 HydrophobicContact CZ3-CB 4.16Å; Y316-A325 HydrophobicContact CD2-CB 4.16Å; Y316-A325 HydrophobicContact CE2-CB 4.27Å; N319-A325 WeakPolarHBondContact O-CB 3.41Å; I322-A325 PolarHBondContact O-N 2.73Å; A325-R327 PolarHBondContact O-N 3.23Å; A325-W328 HydrophobicContact CB-CD2 4.31Å; A325-W328 HydrophobicContact CB-CE3 4.09Å; A325-W328 HydrophobicContact CB-CH2 4.13Å; A325-W328 HydrophobicContact CB-CZ2 4.37Å; A325-W328 HydrophobicContact CB-CZ3 4Å; A325-W328 PolarHBondContact O-N 2.89Å
326S82.9Confident82.5Confident68 Ų6886.6 Ų86.648%0.47642%0.419SS..G310 helixtrans-63.6-20.2174.960.10000115.1K320 I322 P324K320-S326 WeakPolarHBondContact O-CA 3.2Å; K320-S326 WeakPolarHBondContact O-CB 3.39Å; K320-S326 PolarHBondContact O-N 2.93Å; I322-S326 PolarHBondContact O-N 3.37Å; I322-S326 VanDerWaalsContact O-N 3.11Å; P324-S326 PolarHBondContact O-N 2.87Å
327R83.6Confident81.3Confident66 Ų6686.8 Ų86.825%0.24942%0.419CS..G310 helixtrans-89.1-12.1179.9-169.3164.4169.991.2-3.3113.2D259 K279 P324 A325 E329 T341 R343D259-R327 HydrophobicContact CB-CG 4.15Å; D259-R327 VanDerWaalsContact OD2-CD 3.24Å; D259-R327 WeakPolarHBondContact OD2-CD 3.09Å; D259-R327 IonicContact OD2-NE 3.79Å; D259-R327 PolarHBondContact OD2-NE 3.39Å; D259-R327 VanDerWaalsContact OD2-NE 3.09Å; K279-R327 PolarHBondContact NZ-O 3.2Å; P324-R327 PolarHBondContact O-N 3.27Å; P324-R327 VanDerWaalsContact O-N 3.13Å; A325-R327 PolarHBondContact O-N 3.23Å; R327-E329 PolarHBondContact O-N 3.47Å; R327-T341 PolarHBondContact NH2-O 3.16Å; R327-T341 VanDerWaalsContact NH2-O 3.1Å; R327-R343 PolarHBondContact NH1-O 3.14Å
328W88.1Confident79.7Confident10 Ų1087.4 Ų87.44%0.03843%0.426CS..  trans-74.5121.2-172.4-59.8-9.7000111.5I256 D259 I261 K309 V311 W315 Y316 P324 A325I256-W328 HydrophobicContact CB-CD2 4.45Å; I256-W328 HydrophobicContact CD1-CD2 4.44Å; I256-W328 HydrophobicContact CD1-CE3 3.75Å; I256-W328 HydrophobicContact CD1-CH2 4.15Å; I256-W328 HydrophobicContact CD1-CZ3 3.59Å; I256-W328 HydrophobicContact CG1-CD2 4Å; I256-W328 HydrophobicContact CG1-CE3 3.69Å; I256-W328 HydrophobicContact CG1-CZ3 4.06Å; I256-W328 HydrophobicContact CG2-CD2 3.85Å; I256-W328 HydrophobicContact CG2-CE3 4.42Å; I256-W328 HydrophobicContact CG2-CG 3.92Å; D259-W328 CarbonylContact O-C 3.52Å; D259-W328 VanDerWaalsContact O-CA 3.24Å; D259-W328 WeakPolarHBondContact O-CA 3.29Å; I261-W328 HydrophobicContact CD1-CB 3.9Å; I261-W328 HydrophobicContact CG1-CB 3.95Å; K309-W328 HydrophobicContact CD-CZ2 4.12Å; V311-W328 HydrophobicContact CB-CZ3 4.41Å; V311-W328 HydrophobicContact CG1-CZ3 4.28Å; V311-W328 HydrophobicContact CG2-CH2 3.72Å; V311-W328 HydrophobicContact CG2-CZ3 3.89Å; W315-W328 AromaticContact CZ3-CH2 3.91Å; W315-W328 HydrophobicContact CZ3-CH2 3.91Å; W315-W328 HydrophobicContact CZ3-CZ3 4.17Å; Y316-W328 AromaticContact CD2-CE3 3.4Å; Y316-W328 HydrophobicContact CD2-CE3 3.4Å; Y316-W328 AromaticContact CD2-CZ3 3.59Å; Y316-W328 HydrophobicContact CD2-CZ3 3.59Å; Y316-W328 HydrophobicContact CE2-CB 4.22Å; Y316-W328 HydrophobicContact CE2-CD2 4.29Å; Y316-W328 AromaticContact CE2-CE3 3.46Å; Y316-W328 HydrophobicContact CE2-CE3 3.46Å; Y316-W328 VanDerWaalsContact CE2-CE3 3.46Å; Y316-W328 HydrophobicContact CE2-CZ3 4.14Å; P324-W328 HydrophobicContact CG-CZ2 4.23Å; P324-W328 PolarHBondContact O-NE1 2.89Å; A325-W328 HydrophobicContact CB-CD2 4.31Å; A325-W328 HydrophobicContact CB-CE3 4.09Å; A325-W328 HydrophobicContact CB-CH2 4.13Å; A325-W328 HydrophobicContact CB-CZ2 4.37Å; A325-W328 HydrophobicContact CB-CZ3 4Å; A325-W328 PolarHBondContact O-N 2.89Å
329E84.9Confident77.7Confident60 Ų6088.2 Ų88.228%0.2843%0.43SS..EExtended strand (participates in β ladder)trans-109.4148.3177.1-75.8176-153.200110.3D259 L260 I261 K279 R327 Y331 K335 W337D259-E329 PolarHBondContact O-N 3.12Å; L260-E329 CarbonylContact C-O 3.57Å; L260-E329 WeakPolarHBondContact CA-O 3.37Å; L260-E329 HydrophobicContact CD2-CB 4.2Å; I261-E329 PolarHBondContact N-O 2.81Å; K279-E329 IonicContact NZ-OE1 3.94Å; K279-E329 PolarHBondContact NZ-OE1 3.46Å; K279-E329 IonicContact NZ-OE2 3Å; R327-E329 PolarHBondContact O-N 3.47Å; E329-Y331 PolarHBondContact O-N 2.97Å; E329-K335 IonicContact OE2-NZ 2.65Å; E329-K335 PolarHBondContact OE2-NZ 3.03Å; E329-W337 WeakPolarHBondContact OE2-CZ2 3.37Å
330P86.9Confident75.7Confident99 Ų9993.3 Ų93.364%0.64345%0.447SS*.EExtended strand (participates in β ladder)trans-60.2138.4168.527.2-33.2000110.4D332P330-D332 PolarHBondContact O-N 3.34Å
331Y85.1Confident73.8Confident27 Ų2790.7 Ų90.711%0.10644%0.441CS..  trans-65.4124.8174.3177.8-102.7000110.5L260 I261 H266 F271 A276 L283 E329 P333L260-Y331 HydrophobicContact CD1-CD2 4.15Å; I261-Y331 WeakPolarHBondContact O-CB 3.46Å; I261-Y331 PolarHBondContact O-N 3.12Å; H266-Y331 AromaticContact NE2-CD1 3.99Å; H266-Y331 AromaticContact NE2-CE1 3.81Å; F271-Y331 HydrophobicContact CD1-CE1 4.21Å; F271-Y331 HydrophobicContact CD1-CE2 4.31Å; F271-Y331 AromaticContact CD1-CZ 3.9Å; F271-Y331 AromaticContact CE1-CD1 3.75Å; F271-Y331 HydrophobicContact CE1-CD1 3.75Å; F271-Y331 HydrophobicContact CE1-CD2 4.26Å; F271-Y331 AromaticContact CE1-CE1 3.39Å; F271-Y331 HydrophobicContact CE1-CE1 3.39Å; F271-Y331 AromaticContact CE1-CE2 3.95Å; F271-Y331 HydrophobicContact CE1-CE2 3.95Å; F271-Y331 HydrophobicContact CE1-CG 4.16Å; F271-Y331 AromaticContact CE1-CZ 3.5Å; F271-Y331 VanDerWaalsContact CE1-CZ 3.5Å; F271-Y331 HydrophobicContact CZ-CD1 4.3Å; F271-Y331 HydrophobicContact CZ-CE1 4.22Å; A276-Y331 HydrophobicContact CB-CE2 4.07Å; A276-Y331 VanDerWaalsContact CB-OH 3.31Å; A276-Y331 WeakPolarHBondContact CB-OH 3.21Å; L283-Y331 HydrophobicContact CD1-CD2 4.02Å; L283-Y331 HydrophobicContact CD1-CE2 3.75Å; E329-Y331 PolarHBondContact O-N 2.97Å; Y331-P333 HydrophobicContact CD1-CG 4.29Å; Y331-P333 HydrophobicContact CE1-CB 4.14Å; Y331-P333 HydrophobicContact CE1-CG 3.75Å
332D81.2Confident72.1Confident79 Ų7989.5 Ų89.542%0.42244%0.439SS..  trans-117.4115.4173.1-174-12.6000108.6P330 E334 K335P330-D332 PolarHBondContact O-N 3.34Å; D332-E334 PolarHBondContact O-N 2.79Å; D332-E334 PolarHBondContact OD1-N 2.86Å; D332-E334 VanDerWaalsContact OD1-N 3.08Å; D332-K335 HydrophobicContact CB-CB 4.03Å; D332-K335 PolarHBondContact O-N 3.18Å
333P77Confident69.7Low77 Ų7798.8 Ų98.850%0.547%0.468SS..THydrogen-bonded Turntrans-59.2-26.4179.8-20.529.3000114.5Y331Y331-P333 HydrophobicContact CD1-CG 4.29Å; Y331-P333 HydrophobicContact CE1-CB 4.14Å; Y331-P333 HydrophobicContact CE1-CG 3.75Å
334E74.4Confident69.3Low174 Ų17495.3 Ų95.381%0.81346%0.455SS*.THydrogen-bonded Turntrans-83.7-21.5-176.5-61.4-169161.100112.5D332 K336D332-E334 PolarHBondContact O-N 2.79Å; D332-E334 PolarHBondContact OD1-N 2.86Å; D332-E334 VanDerWaalsContact OD1-N 3.08Å; E334-K336 PolarHBondContact O-N 2.62Å; E334-K336 VanDerWaalsContact O-N 3.16Å
335K71.6Confident68.7Low95 Ų9599 Ų9941%0.41347%0.47SS..  trans-81.797.3-176.6-167.5176.5-179.4-177.90110.5E329 D332 W337E329-K335 IonicContact OE2-NZ 2.65Å; E329-K335 PolarHBondContact OE2-NZ 3.03Å; D332-K335 HydrophobicContact CB-CB 4.03Å; D332-K335 PolarHBondContact O-N 3.18Å; K335-W337 HydrophobicContact CD-CZ2 3.93Å; K335-W337 VanDerWaalsContact O-CD1 3.22Å
336K63.7Low67.9Low174 Ų174104.4 Ų104.476%0.75750%0.496SS*.  trans-81.3120.7175.3-65.7-176.9-178.9178.10111.5E334 D338E334-K336 PolarHBondContact O-N 2.62Å; E334-K336 VanDerWaalsContact O-N 3.16Å; K336-D338 PolarHBondContact O-N 3.37Å
337W63.2Low67Low44 Ų44106.6 Ų106.617%0.16750%0.497CS..  trans-93.287174.4-61.276.8000109.1G278 K279 E329 K335G278-W337 WeakPolarHBondContact O-CB 3.25Å; K279-W337 HydrophobicContact CB-CE3 3.95Å; K279-W337 HydrophobicContact CB-CZ3 4.05Å; K279-W337 HydrophobicContact CD-CE3 4.23Å; K279-W337 HydrophobicContact CD-CH2 3.51Å; K279-W337 HydrophobicContact CD-CZ2 4.2Å; K279-W337 HydrophobicContact CD-CZ3 3.51Å; K279-W337 HydrophobicContact CG-CD2 3.98Å; K279-W337 HydrophobicContact CG-CE3 3.57Å; K279-W337 HydrophobicContact CG-CH2 3.59Å; K279-W337 HydrophobicContact CG-CZ2 3.93Å; K279-W337 HydrophobicContact CG-CZ3 3.37Å; E329-W337 WeakPolarHBondContact OE2-CZ2 3.37Å; K335-W337 HydrophobicContact CD-CZ2 3.93Å; K335-W337 VanDerWaalsContact O-CD1 3.22Å
338D54.9Low66Low126 Ų126109.1 Ų109.167%0.67451%0.512SS*.  trans-82.3-12.1-177.4-80.8-29.1000114K336K336-D338 PolarHBondContact O-N 3.37Å
339K47.8Very low64.5Low168 Ų168115.7 Ų115.773%0.7354%0.544SS*.SBendtrans-134.9126.8-179-69.1-175.8-179.8-178.50112.4T341K339-T341 PolarHBondContact O-N 3.04Å; K339-T341 PolarHBondContact O-OG1 3.09Å
340Y45.6Very low63.1Low149 Ų149119.7 Ų119.758%0.58456%0.563SS**  trans-54108.8168.8-170.9-102.9000109.2I342Y340-I342 HydrophobicContact CD1-CG1 4.29Å; Y340-I342 HydrophobicContact CE1-CB 4.47Å; Y340-I342 HydrophobicContact CE1-CD1 3.49Å; Y340-I342 VanDerWaalsContact CE1-CD1 3.49Å; Y340-I342 HydrophobicContact CE1-CG1 3.6Å; Y340-I342 HydrophobicContact CE2-CD1 4.33Å; Y340-I342 HydrophobicContact CE2-CG1 4.37Å; Y340-I342 WeakPolarHBondContact OH-CD1 2.99Å
341T46.3Very low61.2Low68 Ų68121.3 Ų121.342%0.41756%0.557SS.*  trans-127.881.2179.940.40000108.8R327 K339 R343R327-T341 PolarHBondContact NH2-O 3.16Å; R327-T341 VanDerWaalsContact NH2-O 3.1Å; K339-T341 PolarHBondContact O-N 3.04Å; K339-T341 PolarHBondContact O-OG1 3.09Å; T341-R343 PolarHBondContact O-N 2.67Å
342I48.3Very low59.2Low116 Ų116129.2 Ų129.260%0.59559%0.594SS**  trans-72.6102.8154.8-58.5-177.3000106Y340Y340-I342 HydrophobicContact CD1-CG1 4.29Å; Y340-I342 HydrophobicContact CE1-CB 4.47Å; Y340-I342 HydrophobicContact CE1-CD1 3.49Å; Y340-I342 VanDerWaalsContact CE1-CD1 3.49Å; Y340-I342 HydrophobicContact CE1-CG1 3.6Å; Y340-I342 HydrophobicContact CE2-CD1 4.33Å; Y340-I342 HydrophobicContact CE2-CG1 4.37Å; Y340-I342 WeakPolarHBondContact OH-CD1 2.99Å
343R36.9Very low57.3Low280 Ų280133.7 Ų133.7100%1.05761%0.61SS**  trans-122.50158.2-81.5-167.4179.6-171.91.1107.9R327 T341R327-R343 PolarHBondContact NH1-O 3.14Å; T341-R343 PolarHBondContact O-N 2.67Å

Retrieved 343 of 343 residues in 476.6 ms (Link to these results)