A0A5K4F272_SCHMA Loading...

N-alpha-acetyltransferase 60

AlphaFold DB , UniProt , Accession A0A5K4F272, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 371 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
1M31.8Very low60.8Low247 Ų24790.5 Ų90.5100%1.21754%0.542SS*.  0126.70-80.5155.790.800106.7
2G36.9Very low63.6Low71 Ų7188.9 Ų88.973%0.73252%0.519SS*.  trans-63.3155.4-157.600000115.1D4G2-D4 PolarHBondContact O-N 3.48Å
3S43.5Very low65.9Low111 Ų11186.4 Ų86.478%0.77651%0.509SS*.SBendtrans-75.716.6175.5460000114.3
4D45Very low68Low135 Ų13581.4 Ų81.472%0.72248%0.479SS*.  trans-123.8139.5-166.2-55.5-34.1000110.2G2G2-D4 PolarHBondContact O-N 3.48Å
5D45.9Very low69.6Low157 Ų15779.4 Ų79.484%0.8447%0.47SS*.  trans76.862.8-174.3-74.2-16.6000117.7G7D5-G7 PolarHBondContact O-N 3.46Å; D5-G7 VanDerWaalsContact O-N 3.08Å
6I51.5Low71Confident78 Ų7882.4 Ų82.440%0.448%0.476SS..  -68.794.6128.2-61.6173.3000104.2V8 F103 W179I6-V8 PolarHBondContact O-N 3.4Å; I6-F103 HydrophobicContact CG2-CE1 3.77Å; I6-F103 HydrophobicContact CG2-CZ 4.29Å; I6-W179 HydrophobicContact CD1-CB 4.46Å
7G62Low72.2Confident17 Ų1790.1 Ų90.118%0.17550%0.497CS..  trans-47.3143.917300000109.2D5 L9 S55D5-G7 PolarHBondContact O-N 3.46Å; D5-G7 VanDerWaalsContact O-N 3.08Å; G7-L9 PolarHBondContact O-N 3.33Å; G7-S55 PolarHBondContact N-OG 3.34Å
8V78.5Confident73.4Confident111 Ų11185.3 Ų85.367%0.67347%0.471SS*.  trans-43.2115.21781770000108.8I6 S10I6-V8 PolarHBondContact O-N 3.4Å; V8-S10 PolarHBondContact O-N 3.46Å
9L87.9Confident74.4Confident18 Ų1881.5 Ų81.59%0.09445%0.45CS..EExtended strand (participates in β ladder)trans-68.8122.3178.9-168.176.7000107.5G7 F11 A53 V54 V60 F103 V108 V181G7-L9 PolarHBondContact O-N 3.33Å; L9-F11 HydrophobicContact CD2-CE1 4.21Å; L9-F11 HydrophobicContact CD2-CE2 4.03Å; L9-F11 HydrophobicContact CD2-CZ 3.53Å; L9-F11 HydrophobicContact CG-CE2 4.36Å; L9-F11 HydrophobicContact CG-CZ 4.22Å; L9-A53 HydrophobicContact CD1-CB 4.14Å; L9-A53 HydrophobicContact CD2-CB 4.45Å; L9-A53 HydrophobicContact CG-CB 4.5Å; L9-V54 WeakPolarHBondContact CA-O 3.22Å; L9-V60 HydrophobicContact CD1-CG2 3.57Å; L9-F103 HydrophobicContact CD1-CD1 4.49Å; L9-F103 HydrophobicContact CD1-CE1 4.33Å; L9-V108 HydrophobicContact CD2-CG2 3.99Å; L9-V181 HydrophobicContact CD2-CB 4.4Å; L9-V181 HydrophobicContact CD2-CG1 4.03Å; L9-V181 HydrophobicContact CD2-CG2 3.44Å; L9-V181 VanDerWaalsContact CD2-CG2 3.44Å
10S91.5Very high75.4Confident43 Ų4383.9 Ų83.930%0.30146%0.459SS..EExtended strand (participates in β ladder)trans-117.7161.917464.90000110.1V8 V54V8-S10 PolarHBondContact O-N 3.46Å; S10-V54 PolarHBondContact N-O 2.72Å; S10-V54 PolarHBondContact O-N 2.84Å
11F94Very high76.3Confident7 Ų782.6 Ų82.63%0.03145%0.449CS..EExtended strand (participates in β ladder)trans-125.6133.5-178.9-59.9-92.5000109.9L9 I51 A52 A53 I111 L112 V181 Y184 S186 L187L9-F11 HydrophobicContact CD2-CE1 4.21Å; L9-F11 HydrophobicContact CD2-CE2 4.03Å; L9-F11 HydrophobicContact CD2-CZ 3.53Å; L9-F11 HydrophobicContact CG-CE2 4.36Å; L9-F11 HydrophobicContact CG-CZ 4.22Å; F11-I51 HydrophobicContact CD1-CG2 4.46Å; F11-A52 VanDerWaalsContact CA-O 3.23Å; F11-A52 WeakPolarHBondContact CA-O 3.27Å; F11-A53 HydrophobicContact CD1-CB 4.07Å; F11-A53 HydrophobicContact CE1-CB 3.84Å; F11-I111 HydrophobicContact CE1-CG2 3.88Å; F11-I111 HydrophobicContact CZ-CG2 3.69Å; F11-L112 HydrophobicContact CD1-CD2 3.9Å; F11-L112 HydrophobicContact CE1-CD2 3.91Å; F11-L112 HydrophobicContact CE1-CG 4.45Å; F11-V181 HydrophobicContact CE2-CG1 3.92Å; F11-V181 HydrophobicContact CZ-CG1 4.13Å; F11-Y184 HydrophobicContact CE2-CD1 4.45Å; F11-S186 PolarHBondContact N-OG 3.08Å; F11-S186 WeakPolarHBondContact O-CB 3.46Å; F11-L187 HydrophobicContact CB-CB 3.92Å; F11-L187 HydrophobicContact CB-CD1 3.89Å; F11-L187 HydrophobicContact CB-CG 4.43Å; F11-L187 HydrophobicContact CD1-CD1 4.13Å; F11-L187 HydrophobicContact CD1-CD2 4.29Å; F11-L187 HydrophobicContact CD2-CB 3.71Å; F11-L187 HydrophobicContact CD2-CD2 4.24Å; F11-L187 HydrophobicContact CD2-CG 4.43Å; F11-L187 HydrophobicContact CE1-CD2 4.33Å; F11-L187 HydrophobicContact CE2-CB 4.39Å; F11-L187 HydrophobicContact CE2-CD2 4.28Å; F11-L187 HydrophobicContact CG-CB 3.85Å; F11-L187 HydrophobicContact CG-CD1 3.98Å; F11-L187 HydrophobicContact CG-CD2 4.23Å; F11-L187 HydrophobicContact CG-CG 4.25Å; F11-L187 HydrophobicContact CZ-CD2 4.33Å
12R94.2Very high79.3Confident72 Ų7270.8 Ų70.827%0.27239%0.391SS..EExtended strand (participates in β ladder)trans-152.6165.8177.261.3172.9-177.681.6-5111.2D18 A52 V54R12-D18 IonicContact CZ-OD1 3.58Å; R12-D18 IonicContact CZ-OD2 2.95Å; R12-D18 IonicContact NH1-OD1 3.33Å; R12-D18 IonicContact NH1-OD2 3.3Å; R12-D18 PolarHBondContact NH1-OD2 3.33Å; R12-D18 IonicContact NH2-OD1 2.75Å; R12-D18 PolarHBondContact NH2-OD1 2.98Å; R12-D18 IonicContact NH2-OD2 3.76Å; R12-D18 PolarHBondContact NH2-OD2 2.95Å; R12-A52 PolarHBondContact N-O 3.47Å; R12-A52 VanDerWaalsContact N-O 3.08Å; R12-A52 WeakPolarHBondContact O-CA 3.49Å; R12-A52 WeakPolarHBondContact O-CB 3.44Å; R12-A52 PolarHBondContact O-N 2.8Å; R12-V54 HydrophobicContact CG-CG2 3.88Å
13S94.7Very high82.1Confident56 Ų5669.4 Ų69.439%0.39237%0.365SS..  trans-67.7150.9164.8-172.80000110.1S50S13-S50 PolarHBondContact OG-OG 3.28Å
14I94.5Very high84.5Confident16 Ų1667.5 Ų67.58%0.08235%0.352CS..  trans-70.8155.4166.263.7-172.4000110.2D18 L22 L42 L43 S50 A52 I62I14-D18 WeakPolarHBondContact CA-OD2 3.43Å; I14-L22 HydrophobicContact CD1-CD2 4.13Å; I14-L22 HydrophobicContact CG2-CD1 4.44Å; I14-L42 HydrophobicContact CD1-CD2 3.19Å; I14-L43 HydrophobicContact CB-CD2 3.97Å; I14-L43 HydrophobicContact CD1-CD2 3.61Å; I14-L43 HydrophobicContact CG1-CD2 3.49Å; I14-L43 VanDerWaalsContact CG1-CD2 3.49Å; I14-S50 WeakPolarHBondContact CG1-OG 3.46Å; I14-S50 PolarHBondContact N-OG 3.43Å; I14-S50 VanDerWaalsContact N-OG 3.13Å; I14-A52 HydrophobicContact CG2-CB 3.83Å; I14-I62 HydrophobicContact CG2-CD1 3.57Å
15C92.1Very high87Confident52 Ų5261.2 Ų61.235%0.35132%0.319SS..  trans-139.6173.7179.872.30000111.8Y17 D18 L43C15-Y17 PolarHBondContact O-N 3.13Å; C15-Y17 VanDerWaalsContact O-N 3.08Å; C15-D18 PolarHBondContact N-OD2 2.97Å; C15-D18 WeakPolarHBondContact O-CB 3.17Å; C15-D18 PolarHBondContact O-N 3.17Å; C15-D18 PolarHBondContact SG-OD2 3.25Å; C15-L43 WeakPolarHBondContact O-CD2 3.28Å
16K91.7Very high89.3Confident128 Ų12853.9 Ų53.956%0.55728%0.279SS*.G310 helixtrans-58.6-24.4-176.4-62.2-165.7176.1-147.40114.8D18 V19 D44K16-D18 VanDerWaalsContact C-N 3.28Å; K16-V19 VanDerWaalsContact O-CG2 3.23Å; K16-V19 WeakPolarHBondContact O-CG2 3.32Å; K16-D44 WeakPolarHBondContact CE-OD1 3.27Å; K16-D44 IonicContact NZ-OD1 3.6Å; K16-D44 PolarHBondContact NZ-OD1 3.38Å
17Y91.4Very high91.3Very high212 Ų21256.2 Ų56.283%0.83129%0.288SS*.G310 helixtrans-79.2-12.3177.7-57-70.4000113.1C15C15-Y17 PolarHBondContact O-N 3.13Å; C15-Y17 VanDerWaalsContact O-N 3.08Å
18D93.6Very high92.8Very high5 Ų559.5 Ų59.53%0.02730%0.299CS..G310 helixtrans-85.9-4.2-176.3-65.5-47.9000113.6R12 I14 C15 K16 M20 K21 L22 L59R12-D18 IonicContact CZ-OD1 3.58Å; R12-D18 IonicContact CZ-OD2 2.95Å; R12-D18 IonicContact NH1-OD1 3.33Å; R12-D18 IonicContact NH1-OD2 3.3Å; R12-D18 PolarHBondContact NH1-OD2 3.33Å; R12-D18 IonicContact NH2-OD1 2.75Å; R12-D18 PolarHBondContact NH2-OD1 2.98Å; R12-D18 IonicContact NH2-OD2 3.76Å; R12-D18 PolarHBondContact NH2-OD2 2.95Å; I14-D18 WeakPolarHBondContact CA-OD2 3.43Å; C15-D18 PolarHBondContact N-OD2 2.97Å; C15-D18 WeakPolarHBondContact O-CB 3.17Å; C15-D18 PolarHBondContact O-N 3.17Å; C15-D18 PolarHBondContact SG-OD2 3.25Å; K16-D18 VanDerWaalsContact C-N 3.28Å; D18-M20 VanDerWaalsContact C-N 3.29Å; D18-M20 PolarHBondContact O-N 3.5Å; D18-M20 VanDerWaalsContact O-N 3.1Å; D18-K21 CarbonylContact O-C 3.36Å; D18-K21 PolarHBondContact O-N 3.49Å; D18-L22 VanDerWaalsContact O-CB 3.31Å; D18-L22 WeakPolarHBondContact O-CB 3.32Å; D18-L22 PolarHBondContact O-N 2.97Å; D18-L59 HydrophobicContact CB-CD1 4.18Å
19V93.6Very high93.5Very high13 Ų1355.4 Ų55.48%0.07928%0.275CS..Hα-helixtrans-48.4-48.3-169.9179.10000112.5K16 L22 Q23 F39 Q40 L43K16-V19 VanDerWaalsContact O-CG2 3.23Å; K16-V19 WeakPolarHBondContact O-CG2 3.32Å; V19-L22 PolarHBondContact O-N 2.76Å; V19-Q23 WeakPolarHBondContact O-CB 3.39Å; V19-Q23 PolarHBondContact O-N 3.23Å; V19-F39 HydrophobicContact CG1-CB 4.32Å; V19-Q40 VanDerWaalsContact CG2-NE2 3.32Å; V19-L43 HydrophobicContact CB-CD1 4.38Å; V19-L43 HydrophobicContact CG2-CD1 3.33Å
20M93.6Very high93.7Very high128 Ų12856.5 Ų56.563%0.63128%0.279SS*.Hα-helixtrans-66.7-44.6-179.4-61.6-66.796.800111.9D18 L22 Q23 S24D18-M20 VanDerWaalsContact C-N 3.29Å; D18-M20 PolarHBondContact O-N 3.5Å; D18-M20 VanDerWaalsContact O-N 3.1Å; M20-L22 VanDerWaalsContact C-N 3.32Å; M20-L22 PolarHBondContact O-N 3.3Å; M20-Q23 PolarHBondContact O-N 2.82Å; M20-S24 PolarHBondContact O-N 3.35Å; M20-S24 PolarHBondContact O-OG 3.04Å
21K94.8Very high93.5Very high57 Ų5758.4 Ų58.425%0.24829%0.291CS..Hα-helixtrans-65.5-38.1178.5-64.4177179.8174.90111.4D18 S24 L25 D57 L59D18-K21 CarbonylContact O-C 3.36Å; D18-K21 PolarHBondContact O-N 3.49Å; K21-S24 PolarHBondContact O-N 3.47Å; K21-L25 WeakPolarHBondContact O-CB 3.33Å; K21-L25 PolarHBondContact O-N 3.5Å; K21-D57 WeakPolarHBondContact CE-O 3.37Å; K21-D57 PolarHBondContact NZ-O 2.95Å; K21-D57 IonicContact NZ-OD1 3.18Å; K21-D57 PolarHBondContact NZ-OD1 3.26Å; K21-D57 IonicContact NZ-OD2 3.95Å; K21-D57 PolarHBondContact NZ-OD2 3.14Å; K21-L59 HydrophobicContact CB-CD1 3.8Å; K21-L59 HydrophobicContact CB-CG 4.03Å
22L95.6Very high93.1Very high0 Ų059.9 Ų59.90%030%0.3CS..Hα-helixtrans-66.7-43.6178.1-173.566.1000110.4I14 D18 V19 M20 L25 Y26 F39 L42 L43 L59 I62I14-L22 HydrophobicContact CD1-CD2 4.13Å; I14-L22 HydrophobicContact CG2-CD1 4.44Å; D18-L22 VanDerWaalsContact O-CB 3.31Å; D18-L22 WeakPolarHBondContact O-CB 3.32Å; D18-L22 PolarHBondContact O-N 2.97Å; V19-L22 PolarHBondContact O-N 2.76Å; M20-L22 VanDerWaalsContact C-N 3.32Å; M20-L22 PolarHBondContact O-N 3.3Å; L22-L25 PolarHBondContact O-N 3.22Å; L22-Y26 HydrophobicContact CD1-CD2 3.98Å; L22-Y26 HydrophobicContact CD1-CE2 3.65Å; L22-Y26 HydrophobicContact CG-CD2 4.23Å; L22-Y26 HydrophobicContact CG-CE2 4.17Å; L22-Y26 VanDerWaalsContact O-CD2 3.29Å; L22-Y26 WeakPolarHBondContact O-CD2 3.14Å; L22-Y26 PolarHBondContact O-N 2.92Å; L22-F39 HydrophobicContact CB-CD1 4.46Å; L22-F39 HydrophobicContact CD2-CD1 3.86Å; L22-F39 HydrophobicContact CG-CD1 3.87Å; L22-F39 HydrophobicContact CG-CE1 4.3Å; L22-L42 HydrophobicContact CD2-CD2 4.14Å; L22-L43 HydrophobicContact CD2-CD2 4.47Å; L22-L59 HydrophobicContact CB-CD1 4.2Å; L22-L59 HydrophobicContact CD1-CD1 4.35Å; L22-I62 HydrophobicContact CD1-CG1 4.42Å
23Q95Very high92.6Very high41 Ų4162.1 Ų62.119%0.19233%0.327CS..Hα-helixtrans-59.8-50174.5-178.3175-15.900111.2V19 M20 L25 Y26 E27 F39V19-Q23 WeakPolarHBondContact O-CB 3.39Å; V19-Q23 PolarHBondContact O-N 3.23Å; M20-Q23 PolarHBondContact O-N 2.82Å; Q23-L25 VanDerWaalsContact C-N 3.32Å; Q23-L25 PolarHBondContact O-N 2.77Å; Q23-Y26 PolarHBondContact O-N 3.39Å; Q23-Y26 VanDerWaalsContact O-N 3.14Å; Q23-E27 HydrophobicContact CG-CG 4.44Å; Q23-E27 VanDerWaalsContact CG-OE1 3.31Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.23Å; Q23-E27 PolarHBondContact NE2-OE1 2.95Å; Q23-E27 WeakPolarHBondContact O-CG 3.34Å; Q23-E27 PolarHBondContact O-N 3.01Å; Q23-F39 HydrophobicContact CB-CD2 4.4Å; Q23-F39 HydrophobicContact CB-CE1 4.34Å; Q23-F39 HydrophobicContact CB-CE2 4.08Å; Q23-F39 HydrophobicContact CB-CZ 4.04Å; Q23-F39 HydrophobicContact CG-CE2 3.87Å; Q23-F39 HydrophobicContact CG-CZ 4.01Å
24S94.6Very high92.3Very high71 Ų7162.8 Ų62.850%0.49732%0.321SS..Hα-helixtrans-59.8-40.7177.3-59.80000112.7M20 K21 Y26 E27 E28M20-S24 PolarHBondContact O-N 3.35Å; M20-S24 PolarHBondContact O-OG 3.04Å; K21-S24 PolarHBondContact O-N 3.47Å; S24-Y26 VanDerWaalsContact C-N 3.33Å; S24-Y26 PolarHBondContact O-N 3.01Å; S24-E27 PolarHBondContact O-N 3.35Å; S24-E28 PolarHBondContact O-N 2.84Å; S24-E28 VanDerWaalsContact O-N 3.09Å
25L95.8Very high92.1Very high4 Ų465.9 Ų65.92%0.02134%0.342CS..Hα-helixtrans-61.8-42.6175.8-179.8151.7000111.5K21 L22 Q23 E28 C29 L59 I62K21-L25 WeakPolarHBondContact O-CB 3.33Å; K21-L25 PolarHBondContact O-N 3.5Å; L22-L25 PolarHBondContact O-N 3.22Å; Q23-L25 VanDerWaalsContact C-N 3.32Å; Q23-L25 PolarHBondContact O-N 2.77Å; L25-E28 PolarHBondContact O-N 2.78Å; L25-C29 VanDerWaalsContact O-CB 3.26Å; L25-C29 WeakPolarHBondContact O-CB 3.46Å; L25-C29 PolarHBondContact O-N 3.46Å; L25-C29 PolarHBondContact O-SG 2.75Å; L25-L59 HydrophobicContact CD1-CB 3.75Å; L25-I62 HydrophobicContact CD1-CB 4.44Å; L25-I62 HydrophobicContact CD2-CB 4.06Å; L25-I62 HydrophobicContact CD2-CG2 3.4Å
26Y94.6Very high92Very high3 Ų367 Ų671%0.01235%0.35CS..Hα-helixtrans-68.8-41.6-179.3-92.6-114.8000112.2L22 Q23 S24 E28 C29 F30 Y34 W38 F39 I62 S96L22-Y26 HydrophobicContact CD1-CD2 3.98Å; L22-Y26 HydrophobicContact CD1-CE2 3.65Å; L22-Y26 HydrophobicContact CG-CD2 4.23Å; L22-Y26 HydrophobicContact CG-CE2 4.17Å; L22-Y26 VanDerWaalsContact O-CD2 3.29Å; L22-Y26 WeakPolarHBondContact O-CD2 3.14Å; L22-Y26 PolarHBondContact O-N 2.92Å; Q23-Y26 PolarHBondContact O-N 3.39Å; Q23-Y26 VanDerWaalsContact O-N 3.14Å; S24-Y26 VanDerWaalsContact C-N 3.33Å; S24-Y26 PolarHBondContact O-N 3.01Å; Y26-E28 VanDerWaalsContact C-N 3.26Å; Y26-E28 PolarHBondContact O-N 3.25Å; Y26-C29 PolarHBondContact O-N 2.81Å; Y26-F30 AromaticContact CD1-CD2 3.55Å; Y26-F30 HydrophobicContact CD1-CD2 3.55Å; Y26-F30 AromaticContact CD1-CE2 3.81Å; Y26-F30 HydrophobicContact CD1-CE2 3.81Å; Y26-F30 HydrophobicContact CD2-CD2 4.48Å; Y26-F30 HydrophobicContact CD2-CE2 4.22Å; Y26-F30 HydrophobicContact CE1-CD2 4.03Å; Y26-F30 AromaticContact CE1-CE2 3.9Å; Y26-F30 HydrophobicContact CE1-CE2 3.9Å; Y26-F30 HydrophobicContact CE2-CE2 4.3Å; Y26-F30 AromaticContact CG-CD2 3.82Å; Y26-F30 HydrophobicContact CG-CD2 3.82Å; Y26-F30 HydrophobicContact CG-CE2 4Å; Y26-F30 PolarHBondContact O-N 3.37Å; Y26-Y34 AromaticContact CD1-CD2 3.87Å; Y26-Y34 HydrophobicContact CD1-CD2 3.87Å; Y26-Y34 AromaticContact CD1-CE2 3.89Å; Y26-Y34 HydrophobicContact CD1-CE2 3.89Å; Y26-Y34 HydrophobicContact CE1-CE2 4.39Å; Y26-W38 HydrophobicContact CD1-CH2 4.27Å; Y26-W38 AromaticContact CD1-CZ3 3.93Å; Y26-W38 HydrophobicContact CD1-CZ3 3.93Å; Y26-W38 AromaticContact CE1-CH2 3.39Å; Y26-W38 HydrophobicContact CE1-CH2 3.39Å; Y26-W38 AromaticContact CE1-CZ3 3.42Å; Y26-W38 HydrophobicContact CE1-CZ3 3.42Å; Y26-W38 VanDerWaalsContact CE1-CZ3 3.42Å; Y26-W38 AromaticContact CZ-CH2 3.82Å; Y26-W38 AromaticContact CZ-CZ3 3.84Å; Y26-F39 HydrophobicContact CD1-CE1 4.17Å; Y26-F39 HydrophobicContact CD2-CE1 4.05Å; Y26-F39 AromaticContact CG-CE1 3.75Å; Y26-F39 HydrophobicContact CG-CE1 3.75Å; Y26-F39 HydrophobicContact CG-CZ 4.31Å; Y26-I62 HydrophobicContact CE2-CG2 4.04Å; Y26-S96 WeakPolarHBondContact OH-CB 3.21Å; Y26-S96 PolarHBondContact OH-OG 3.36Å
27E93.1Very high92Very high126 Ų12664.2 Ų64.259%0.58935%0.347SS*.Hα-helixtrans-60.5-34.5174.7-72170.8-178.600112Q23 S24Q23-E27 HydrophobicContact CG-CG 4.44Å; Q23-E27 VanDerWaalsContact CG-OE1 3.31Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.23Å; Q23-E27 PolarHBondContact NE2-OE1 2.95Å; Q23-E27 WeakPolarHBondContact O-CG 3.34Å; Q23-E27 PolarHBondContact O-N 3.01Å; S24-E27 PolarHBondContact O-N 3.35Å
28E94.3Very high92Very high87 Ų8757 Ų5741%0.40732%0.318SS..Hα-helixtrans-76.3-40.4174.5-170.6-170.8154.800112.9S24 L25 Y26 T100 S101S24-E28 PolarHBondContact O-N 2.84Å; S24-E28 VanDerWaalsContact O-N 3.09Å; L25-E28 PolarHBondContact O-N 2.78Å; Y26-E28 VanDerWaalsContact C-N 3.26Å; Y26-E28 PolarHBondContact O-N 3.25Å; E28-T100 WeakPolarHBondContact OE1-CA 3.09Å; E28-T100 WeakPolarHBondContact OE2-CG2 3.22Å; E28-S101 WeakPolarHBondContact OE1-CB 3.27Å; E28-S101 PolarHBondContact OE1-N 2.76Å; E28-S101 PolarHBondContact OE1-OG 3.04Å
29C93.3Very high92.1Very high25 Ų2556.9 Ų56.917%0.16932%0.318CS..Hα-helixtrans-88.1-30.7-168.4-68.20000114.2L25 Y26 V99L25-C29 VanDerWaalsContact O-CB 3.26Å; L25-C29 WeakPolarHBondContact O-CB 3.46Å; L25-C29 PolarHBondContact O-N 3.46Å; L25-C29 PolarHBondContact O-SG 2.75Å; Y26-C29 PolarHBondContact O-N 2.81Å; C29-V99 VanDerWaalsContact SG-C 3.54Å
30F92.5Very high92Very high40 Ų4060 Ų6018%0.17533%0.332CS..  trans-124.7134.1-170.3-53.5-75.1000110.9Y26 V32 Y34 L97Y26-F30 AromaticContact CD1-CD2 3.55Å; Y26-F30 HydrophobicContact CD1-CD2 3.55Å; Y26-F30 AromaticContact CD1-CE2 3.81Å; Y26-F30 HydrophobicContact CD1-CE2 3.81Å; Y26-F30 HydrophobicContact CD2-CD2 4.48Å; Y26-F30 HydrophobicContact CD2-CE2 4.22Å; Y26-F30 HydrophobicContact CE1-CD2 4.03Å; Y26-F30 AromaticContact CE1-CE2 3.9Å; Y26-F30 HydrophobicContact CE1-CE2 3.9Å; Y26-F30 HydrophobicContact CE2-CE2 4.3Å; Y26-F30 AromaticContact CG-CD2 3.82Å; Y26-F30 HydrophobicContact CG-CD2 3.82Å; Y26-F30 HydrophobicContact CG-CE2 4Å; Y26-F30 PolarHBondContact O-N 3.37Å; F30-V32 PolarHBondContact O-N 2.83Å; F30-Y34 HydrophobicContact CB-CE2 4.43Å; F30-L97 WeakPolarHBondContact CE1-O 3.49Å
31P86.8Confident91.9Very high84 Ų8458.8 Ų58.855%0.54533%0.327SS..SBendtrans-74-7-178.931.1-36.3000113.6I235P31-I235 HydrophobicContact CB-CD1 4.35Å; P31-I235 HydrophobicContact CB-CG2 4.41Å; P31-I235 HydrophobicContact CG-CD1 4.09Å
32V84.8Confident91.8Very high38 Ų3856.5 Ų56.523%0.2332%0.318CS..SBendtrans-96.2125.9-178.7-179.70000108.7F30 Y34 Y233 I235F30-V32 PolarHBondContact O-N 2.83Å; V32-Y34 HydrophobicContact CB-CE2 4.16Å; V32-Y34 HydrophobicContact CG1-CE2 4.33Å; V32-Y34 WeakPolarHBondContact O-CD2 3.22Å; V32-Y34 VanDerWaalsContact O-CE2 3.23Å; V32-Y34 WeakPolarHBondContact O-CE2 3.39Å; V32-Y233 HydrophobicContact CG2-CD1 4.37Å; V32-I235 HydrophobicContact CG2-CG1 4.26Å
33S84.9Confident91.7Very high118 Ų11858 Ų5883%0.82533%0.326SS*.  trans-78.1128.5173.9-52.50000110.8
34Y88.3Confident91.6Very high71 Ų7160.3 Ų60.328%0.27834%0.34SS..  trans-105139.1175.5-62.5-89000109.9Y26 F30 V32 W38Y26-Y34 AromaticContact CD1-CD2 3.87Å; Y26-Y34 HydrophobicContact CD1-CD2 3.87Å; Y26-Y34 AromaticContact CD1-CE2 3.89Å; Y26-Y34 HydrophobicContact CD1-CE2 3.89Å; Y26-Y34 HydrophobicContact CE1-CE2 4.39Å; F30-Y34 HydrophobicContact CB-CE2 4.43Å; V32-Y34 HydrophobicContact CB-CE2 4.16Å; V32-Y34 HydrophobicContact CG1-CE2 4.33Å; V32-Y34 WeakPolarHBondContact O-CD2 3.22Å; V32-Y34 VanDerWaalsContact O-CE2 3.23Å; V32-Y34 WeakPolarHBondContact O-CE2 3.39Å; Y34-W38 AromaticContact CD1-CD2 3.81Å; Y34-W38 HydrophobicContact CD1-CD2 3.81Å; Y34-W38 AromaticContact CD1-CE2 3.87Å; Y34-W38 HydrophobicContact CD1-CE3 4.05Å; Y34-W38 HydrophobicContact CD1-CG 4.27Å; Y34-W38 HydrophobicContact CD1-CH2 4.38Å; Y34-W38 HydrophobicContact CD1-CZ2 4.17Å; Y34-W38 HydrophobicContact CD1-CZ3 4.33Å; Y34-W38 HydrophobicContact CE1-CH2 4.46Å; Y34-W38 HydrophobicContact CE1-CZ2 4.18Å; Y34-W38 HydrophobicContact CG-CD2 4.22Å; Y34-W38 HydrophobicContact CG-CE3 4.02Å; Y34-W38 HydrophobicContact CG-CZ3 4.28Å
35P90Very high91.5Very high81 Ų8160.2 Ų60.253%0.52633%0.333SS..  trans-68.1150.9177.528.4-33.3000111.2S37 W38P35-S37 PolarHBondContact O-N 3.5Å; P35-S37 VanDerWaalsContact O-N 3.11Å; P35-W38 HydrophobicContact CG-CB 4.03Å; P35-W38 WeakPolarHBondContact O-CB 3.1Å; P35-W38 PolarHBondContact O-N 2.9Å
36S89.5Confident91.3Very high74 Ų7465.9 Ų65.952%0.51737%0.374SS..Hα-helixtrans-57-31.8-177-56.40000114.1W38 F39S36-W38 VanDerWaalsContact C-N 3.28Å; S36-W38 PolarHBondContact O-N 3.49Å; S36-F39 PolarHBondContact O-N 3.24Å
37S92Very high91.2Very high70 Ų7068.8 Ų68.849%0.4939%0.394SS..Hα-helixtrans-63.5-33.417658.70000112.7P35 F39 Q40 D41P35-S37 PolarHBondContact O-N 3.5Å; P35-S37 VanDerWaalsContact O-N 3.11Å; S37-F39 PolarHBondContact O-N 2.81Å; S37-Q40 WeakPolarHBondContact O-CB 3.18Å; S37-Q40 PolarHBondContact O-N 3.27Å; S37-D41 VanDerWaalsContact O-CG 3.28Å; S37-D41 PolarHBondContact O-N 2.62Å
38W92.5Very high91.3Very high60 Ų6064.5 Ų64.523%0.22738%0.375CS..Hα-helixtrans-61.2-34.5-179.8-176.186.1000112.1Y26 Y34 P35 S36 D41 L42 L95Y26-W38 HydrophobicContact CD1-CH2 4.27Å; Y26-W38 AromaticContact CD1-CZ3 3.93Å; Y26-W38 HydrophobicContact CD1-CZ3 3.93Å; Y26-W38 AromaticContact CE1-CH2 3.39Å; Y26-W38 HydrophobicContact CE1-CH2 3.39Å; Y26-W38 AromaticContact CE1-CZ3 3.42Å; Y26-W38 HydrophobicContact CE1-CZ3 3.42Å; Y26-W38 VanDerWaalsContact CE1-CZ3 3.42Å; Y26-W38 AromaticContact CZ-CH2 3.82Å; Y26-W38 AromaticContact CZ-CZ3 3.84Å; Y34-W38 AromaticContact CD1-CD2 3.81Å; Y34-W38 HydrophobicContact CD1-CD2 3.81Å; Y34-W38 AromaticContact CD1-CE2 3.87Å; Y34-W38 HydrophobicContact CD1-CE3 4.05Å; Y34-W38 HydrophobicContact CD1-CG 4.27Å; Y34-W38 HydrophobicContact CD1-CH2 4.38Å; Y34-W38 HydrophobicContact CD1-CZ2 4.17Å; Y34-W38 HydrophobicContact CD1-CZ3 4.33Å; Y34-W38 HydrophobicContact CE1-CH2 4.46Å; Y34-W38 HydrophobicContact CE1-CZ2 4.18Å; Y34-W38 HydrophobicContact CG-CD2 4.22Å; Y34-W38 HydrophobicContact CG-CE3 4.02Å; Y34-W38 HydrophobicContact CG-CZ3 4.28Å; P35-W38 HydrophobicContact CG-CB 4.03Å; P35-W38 WeakPolarHBondContact O-CB 3.1Å; P35-W38 PolarHBondContact O-N 2.9Å; S36-W38 VanDerWaalsContact C-N 3.28Å; S36-W38 PolarHBondContact O-N 3.49Å; W38-D41 PolarHBondContact O-N 2.81Å; W38-L42 HydrophobicContact CE3-CD1 4.26Å; W38-L42 HydrophobicContact CH2-CD1 3.27Å; W38-L42 HydrophobicContact CZ2-CD1 3.89Å; W38-L42 HydrophobicContact CZ3-CD1 3.49Å; W38-L42 VanDerWaalsContact CZ3-CD1 3.49Å; W38-L42 VanDerWaalsContact O-CB 3.26Å; W38-L42 WeakPolarHBondContact O-CB 3.37Å; W38-L42 PolarHBondContact O-N 2.73Å; W38-L95 HydrophobicContact CZ2-CD2 4.07Å
39F94Very high91.4Very high3 Ų361 Ų611%0.01336%0.359CS..Hα-helixtrans-69.6-36175.9-62.1-80.6000112.2V19 L22 Q23 Y26 S36 S37 L43V19-F39 HydrophobicContact CG1-CB 4.32Å; L22-F39 HydrophobicContact CB-CD1 4.46Å; L22-F39 HydrophobicContact CD2-CD1 3.86Å; L22-F39 HydrophobicContact CG-CD1 3.87Å; L22-F39 HydrophobicContact CG-CE1 4.3Å; Q23-F39 HydrophobicContact CB-CD2 4.4Å; Q23-F39 HydrophobicContact CB-CE1 4.34Å; Q23-F39 HydrophobicContact CB-CE2 4.08Å; Q23-F39 HydrophobicContact CB-CZ 4.04Å; Q23-F39 HydrophobicContact CG-CE2 3.87Å; Q23-F39 HydrophobicContact CG-CZ 4.01Å; Y26-F39 HydrophobicContact CD1-CE1 4.17Å; Y26-F39 HydrophobicContact CD2-CE1 4.05Å; Y26-F39 AromaticContact CG-CE1 3.75Å; Y26-F39 HydrophobicContact CG-CE1 3.75Å; Y26-F39 HydrophobicContact CG-CZ 4.31Å; S36-F39 PolarHBondContact O-N 3.24Å; S37-F39 PolarHBondContact O-N 2.81Å; F39-L43 WeakPolarHBondContact O-CD1 3.11Å; F39-L43 WeakPolarHBondContact O-CG 3.32Å; F39-L43 PolarHBondContact O-N 2.88Å; F39-L43 VanDerWaalsContact O-N 3.12Å
40Q92.5Very high91.5Very high80 Ų8060.2 Ų60.237%0.37435%0.354SS..Hα-helixtrans-67.3-46.4173.8-62.6-66.3-14.100110.4V19 S37 L42 L43 D44V19-Q40 VanDerWaalsContact CG2-NE2 3.32Å; S37-Q40 WeakPolarHBondContact O-CB 3.18Å; S37-Q40 PolarHBondContact O-N 3.27Å; Q40-L42 VanDerWaalsContact C-N 3.26Å; Q40-L42 PolarHBondContact O-N 3.5Å; Q40-L43 PolarHBondContact O-N 2.72Å; Q40-D44 WeakPolarHBondContact O-CB 3.3Å; Q40-D44 PolarHBondContact O-N 3.18Å
41D92.2Very high91.7Very high101 Ų10158.3 Ų58.354%0.5435%0.345SS..Hα-helixtrans-59-40177.2-62.5-26.6000111.5S37 W38 L43 D44 N45S37-D41 VanDerWaalsContact O-CG 3.28Å; S37-D41 PolarHBondContact O-N 2.62Å; W38-D41 PolarHBondContact O-N 2.81Å; D41-L43 VanDerWaalsContact C-N 3.34Å; D41-L43 PolarHBondContact O-N 3.17Å; D41-D44 PolarHBondContact O-N 3.38Å; D41-N45 WeakPolarHBondContact O-CB 3.38Å; D41-N45 PolarHBondContact O-N 2.82Å
42L92.7Very high92.2Very high10 Ų1054.3 Ų54.35%0.05232%0.319CS..Hα-helixtrans-63.1-40.1175.6-175.3154.4000111.8I14 L22 W38 Q40 L48 V64I14-L42 HydrophobicContact CD1-CD2 3.19Å; L22-L42 HydrophobicContact CD2-CD2 4.14Å; W38-L42 HydrophobicContact CE3-CD1 4.26Å; W38-L42 HydrophobicContact CH2-CD1 3.27Å; W38-L42 HydrophobicContact CZ2-CD1 3.89Å; W38-L42 HydrophobicContact CZ3-CD1 3.49Å; W38-L42 VanDerWaalsContact CZ3-CD1 3.49Å; W38-L42 VanDerWaalsContact O-CB 3.26Å; W38-L42 WeakPolarHBondContact O-CB 3.37Å; W38-L42 PolarHBondContact O-N 2.73Å; Q40-L42 VanDerWaalsContact C-N 3.26Å; Q40-L42 PolarHBondContact O-N 3.5Å; L42-L48 HydrophobicContact CB-CD1 4.45Å; L42-L48 HydrophobicContact CG-CD1 3.92Å; L42-V64 HydrophobicContact CD1-CG1 4.39Å; L42-V64 HydrophobicContact CD1-CG2 4.35Å; L42-V64 HydrophobicContact CD2-CG2 4.46Å
43L93.1Very high92.7Very high30 Ų3052.5 Ų52.516%0.15731%0.308CS..Hα-helixtrans-75.8-29.3179.4-68.9167.5000113.3I14 C15 V19 L22 F39 Q40 D41I14-L43 HydrophobicContact CB-CD2 3.97Å; I14-L43 HydrophobicContact CD1-CD2 3.61Å; I14-L43 HydrophobicContact CG1-CD2 3.49Å; I14-L43 VanDerWaalsContact CG1-CD2 3.49Å; C15-L43 WeakPolarHBondContact O-CD2 3.28Å; V19-L43 HydrophobicContact CB-CD1 4.38Å; V19-L43 HydrophobicContact CG2-CD1 3.33Å; L22-L43 HydrophobicContact CD2-CD2 4.47Å; F39-L43 WeakPolarHBondContact O-CD1 3.11Å; F39-L43 WeakPolarHBondContact O-CG 3.32Å; F39-L43 PolarHBondContact O-N 2.88Å; F39-L43 VanDerWaalsContact O-N 3.12Å; Q40-L43 PolarHBondContact O-N 2.72Å; D41-L43 VanDerWaalsContact C-N 3.34Å; D41-L43 PolarHBondContact O-N 3.17Å
44D92.1Very high93.1Very high91 Ų9147.1 Ų47.149%0.48727%0.271SS..Hα-helixtrans-86.2-18.2178.4-75-29.2000112.6K16 Q40 D41 S46K16-D44 WeakPolarHBondContact CE-OD1 3.27Å; K16-D44 IonicContact NZ-OD1 3.6Å; K16-D44 PolarHBondContact NZ-OD1 3.38Å; Q40-D44 WeakPolarHBondContact O-CB 3.3Å; Q40-D44 PolarHBondContact O-N 3.18Å; D41-D44 PolarHBondContact O-N 3.38Å; D44-S46 PolarHBondContact O-N 3.38Å; D44-S46 VanDerWaalsContact O-N 3.12Å
45N92.6Very high93.3Very high68 Ų6844.4 Ų44.436%0.36426%0.262SS..  trans-78.398.3-179.2-173.1-11000112.5D41 S47 L48D41-N45 WeakPolarHBondContact O-CB 3.38Å; D41-N45 PolarHBondContact O-N 2.82Å; N45-S47 PolarHBondContact ND2-OG 2.75Å; N45-S47 PolarHBondContact O-N 3.03Å; N45-S47 VanDerWaalsContact O-N 3.11Å; N45-S47 WeakPolarHBondContact OD1-CB 3.3Å; N45-S47 PolarHBondContact OD1-N 3.46Å; N45-S47 PolarHBondContact OD1-OG 2.91Å; N45-L48 HydrophobicContact CB-CD1 3.95Å; N45-L48 HydrophobicContact CB-CG 4Å; N45-L48 PolarHBondContact O-N 2.75Å; N45-L48 VanDerWaalsContact O-N 3.1Å
46S91.2Very high93.2Very high124 Ų12443.6 Ų43.687%0.86727%0.268SS*.THydrogen-bonded Turntrans-65.6-10.3178.7660000115.4D44 L48D44-S46 PolarHBondContact O-N 3.38Å; D44-S46 VanDerWaalsContact O-N 3.12Å; S46-L48 VanDerWaalsContact C-N 3.32Å
47S93Very high93.2Very high64 Ų6445.3 Ų45.345%0.44827%0.272SS..THydrogen-bonded Turntrans-83.7-9.7174.773.10000113.3N45 T66N45-S47 PolarHBondContact ND2-OG 2.75Å; N45-S47 PolarHBondContact O-N 3.03Å; N45-S47 VanDerWaalsContact O-N 3.11Å; N45-S47 WeakPolarHBondContact OD1-CB 3.3Å; N45-S47 PolarHBondContact OD1-N 3.46Å; N45-S47 PolarHBondContact OD1-OG 2.91Å; S47-T66 PolarHBondContact O-OG1 2.93Å
48L95.6Very high93.2Very high36 Ų3646.9 Ų46.919%0.18828%0.275CS..EExtended strand (participates in β ladder)trans-89.2133.7176.6-59.5-177.7000110.1L42 N45 S46 V64 L95L42-L48 HydrophobicContact CB-CD1 4.45Å; L42-L48 HydrophobicContact CG-CD1 3.92Å; N45-L48 HydrophobicContact CB-CD1 3.95Å; N45-L48 HydrophobicContact CB-CG 4Å; N45-L48 PolarHBondContact O-N 2.75Å; N45-L48 VanDerWaalsContact O-N 3.1Å; S46-L48 VanDerWaalsContact C-N 3.32Å; L48-V64 HydrophobicContact CB-CG1 4.13Å; L48-V64 HydrophobicContact CD1-CG1 4.1Å; L48-V64 HydrophobicContact CD2-CG1 4.48Å; L48-V64 HydrophobicContact CG-CG1 4.46Å; L48-L95 HydrophobicContact CD1-CD2 4.43Å
49I96Very high93.3Very high12 Ų1244.7 Ų44.76%0.06227%0.267CS..EExtended strand (participates in β ladder)trans-97127.3168.2-66136.8000106.9I51 V64 G65 V67 F116 Y119 L194I49-I51 HydrophobicContact CG2-CG1 4.49Å; I49-V64 WeakPolarHBondContact O-CA 3.43Å; I49-G65 PolarHBondContact N-O 3.09Å; I49-G65 PolarHBondContact O-N 2.91Å; I49-V67 HydrophobicContact CD1-CG2 4.22Å; I49-F116 HydrophobicContact CB-CE2 4.22Å; I49-F116 HydrophobicContact CD1-CE2 4.31Å; I49-F116 HydrophobicContact CG2-CD2 4.25Å; I49-F116 HydrophobicContact CG2-CE2 4.17Å; I49-Y119 HydrophobicContact CD1-CE1 3.7Å; I49-Y119 HydrophobicContact CG1-CE1 4.27Å; I49-L194 HydrophobicContact CG2-CD1 3.72Å; I49-L194 HydrophobicContact CG2-CD2 4Å
50S96.3Very high93.4Very high9 Ų944.8 Ų44.86%0.06327%0.268CS..EExtended strand (participates in β ladder)trans-119.8136.8177.279.60000110.8S13 I14 L63S13-S50 PolarHBondContact OG-OG 3.28Å; I14-S50 WeakPolarHBondContact CG1-OG 3.46Å; I14-S50 PolarHBondContact N-OG 3.43Å; I14-S50 VanDerWaalsContact N-OG 3.13Å; S50-L63 CarbonylContact C-O 3.58Å; S50-L63 WeakPolarHBondContact CA-O 3.23Å
51I96.5Very high93.6Very high0 Ų041 Ų410%025%0.251CS..EExtended strand (participates in β ladder)trans-130.3105.4173.6-52174.7000106.5F11 I49 I62 L63 L112 F116 L187 L190 I191F11-I51 HydrophobicContact CD1-CG2 4.46Å; I49-I51 HydrophobicContact CG2-CG1 4.49Å; I51-I62 CarbonylContact O-C 3.57Å; I51-L63 PolarHBondContact N-O 3.34Å; I51-L63 PolarHBondContact O-N 3.21Å; I51-L112 HydrophobicContact CB-CD2 4.03Å; I51-L112 HydrophobicContact CG2-CD2 3.41Å; I51-L112 VanDerWaalsContact CG2-CD2 3.41Å; I51-L112 WeakPolarHBondContact O-CD2 3.47Å; I51-F116 HydrophobicContact CD1-CB 4.13Å; I51-L187 HydrophobicContact CG2-CD1 3.72Å; I51-L190 HydrophobicContact CB-CD2 4.37Å; I51-L190 HydrophobicContact CG1-CD2 4.36Å; I51-L190 HydrophobicContact CG2-CD2 3.85Å; I51-I191 HydrophobicContact CD1-CD1 3.75Å
52A96.6Very high93.9Very high0 Ų036.2 Ų36.20%023%0.225CC..EExtended strand (participates in β ladder)trans-98.5140.517600000110.8F11 R12 I14 L59 G61 I62F11-A52 VanDerWaalsContact CA-O 3.23Å; F11-A52 WeakPolarHBondContact CA-O 3.27Å; R12-A52 PolarHBondContact N-O 3.47Å; R12-A52 VanDerWaalsContact N-O 3.08Å; R12-A52 WeakPolarHBondContact O-CA 3.49Å; R12-A52 WeakPolarHBondContact O-CB 3.44Å; R12-A52 PolarHBondContact O-N 2.8Å; I14-A52 HydrophobicContact CG2-CB 3.83Å; A52-L59 HydrophobicContact CB-CD2 3.82Å; A52-G61 CarbonylContact C-O 3.57Å; A52-G61 WeakPolarHBondContact CA-O 3.43Å; A52-I62 HydrophobicContact CB-CD1 3.88Å
53A95.4Very high94.1Very high0 Ų035.8 Ų35.80%022%0.223CC..EExtended strand (participates in β ladder)trans-97.9129.3167.200000108.8L9 F11 V60 G61 V108 L112L9-A53 HydrophobicContact CD1-CB 4.14Å; L9-A53 HydrophobicContact CD2-CB 4.45Å; L9-A53 HydrophobicContact CG-CB 4.5Å; F11-A53 HydrophobicContact CD1-CB 4.07Å; F11-A53 HydrophobicContact CE1-CB 3.84Å; A53-V60 HydrophobicContact CB-CG2 4.11Å; A53-V60 WeakPolarHBondContact O-CG2 3.11Å; A53-V60 PolarHBondContact O-N 2.93Å; A53-G61 PolarHBondContact N-O 3.13Å; A53-G61 PolarHBondContact O-N 3.47Å; A53-V108 HydrophobicContact CB-CG1 3.62Å; A53-L112 HydrophobicContact CB-CD1 4.49Å; A53-L112 HydrophobicContact CB-CD2 4.48Å
54V94.1Very high94.4Very high5 Ų534.3 Ų34.33%0.0322%0.215CC..EExtended strand (participates in β ladder)trans-125.8130.8-171.9-175.60000109.7L9 S10 R12 G56 D58 L59L9-V54 WeakPolarHBondContact CA-O 3.22Å; S10-V54 PolarHBondContact N-O 2.72Å; S10-V54 PolarHBondContact O-N 2.84Å; R12-V54 HydrophobicContact CG-CG2 3.88Å; V54-G56 WeakPolarHBondContact CG1-O 3.48Å; V54-D58 WeakPolarHBondContact CA-O 3.48Å; V54-L59 HydrophobicContact CG2-CD2 4.04Å
55S91.5Very high94.6Very high14 Ų1430 Ų3010%0.09819%0.192CC..EExtended strand (participates in β ladder)trans-120.1111.6172.2175.70000108.7G7 D57 D58 F103G7-S55 PolarHBondContact N-OG 3.34Å; S55-D57 PolarHBondContact O-N 2.74Å; S55-D58 PolarHBondContact N-O 2.78Å; S55-D58 PolarHBondContact O-N 2.73Å; S55-D58 VanDerWaalsContact O-N 3.17Å; S55-F103 VanDerWaalsContact CB-CZ 3.49Å; S55-F103 WeakPolarHBondContact OG-CZ 3.03Å
56G88.3Confident94.8Very high64 Ų6428 Ų2866%0.6618%0.182SC*.THydrogen-bonded Turntrans64.6-115.2-17000000110.5V54V54-G56 WeakPolarHBondContact CG1-O 3.48Å
57D88.1Confident95.1Very high110 Ų11024.2 Ų24.259%0.58815%0.154SC*.THydrogen-bonded Turntrans-104.3-4.2177.5-16535.3000113.2K21 S55K21-D57 WeakPolarHBondContact CE-O 3.37Å; K21-D57 PolarHBondContact NZ-O 2.95Å; K21-D57 IonicContact NZ-OD1 3.18Å; K21-D57 PolarHBondContact NZ-OD1 3.26Å; K21-D57 IonicContact NZ-OD2 3.95Å; K21-D57 PolarHBondContact NZ-OD2 3.14Å; S55-D57 PolarHBondContact O-N 2.74Å
58D92.8Very high95.3Very high104 Ų10422.8 Ų22.856%0.55614%0.142SC*.EExtended strand (participates in β ladder)trans-94.9136.3-172.2-66.3-41.2000112.4V54 S55 V60V54-D58 WeakPolarHBondContact CA-O 3.48Å; S55-D58 PolarHBondContact N-O 2.78Å; S55-D58 PolarHBondContact O-N 2.73Å; S55-D58 VanDerWaalsContact O-N 3.17Å; D58-V60 HydrophobicContact CB-CG1 4.34Å; D58-V60 PolarHBondContact O-N 2.74Å
59L95.7Very high95.3Very high13 Ų1323.1 Ų23.17%0.06815%0.146CC..EExtended strand (participates in β ladder)trans-72.9117.3165.4-66.2179.9000108.5D18 K21 L22 L25 A52 V54D18-L59 HydrophobicContact CB-CD1 4.18Å; K21-L59 HydrophobicContact CB-CD1 3.8Å; K21-L59 HydrophobicContact CB-CG 4.03Å; L22-L59 HydrophobicContact CB-CD1 4.2Å; L22-L59 HydrophobicContact CD1-CD1 4.35Å; L25-L59 HydrophobicContact CD1-CB 3.75Å; A52-L59 HydrophobicContact CB-CD2 3.82Å; V54-L59 HydrophobicContact CG2-CD2 4.04Å
60V95.5Very high95.2Very high6 Ų622.9 Ų22.94%0.03615%0.145CC..EExtended strand (participates in β ladder)trans-111.6-15.1-177.8-60.60000113L9 A53 D58 V99 T100 F103L9-V60 HydrophobicContact CD1-CG2 3.57Å; A53-V60 HydrophobicContact CB-CG2 4.11Å; A53-V60 WeakPolarHBondContact O-CG2 3.11Å; A53-V60 PolarHBondContact O-N 2.93Å; D58-V60 HydrophobicContact CB-CG1 4.34Å; D58-V60 PolarHBondContact O-N 2.74Å; V60-V99 WeakPolarHBondContact O-CA 3.4Å; V60-T100 PolarHBondContact O-N 3.45Å; V60-T100 PolarHBondContact O-OG1 3.28Å; V60-F103 HydrophobicContact CB-CB 4.35Å; V60-F103 HydrophobicContact CB-CD1 4.18Å; V60-F103 HydrophobicContact CB-CD2 3.62Å; V60-F103 HydrophobicContact CB-CE1 4.4Å; V60-F103 HydrophobicContact CB-CE2 3.92Å; V60-F103 HydrophobicContact CB-CG 3.79Å; V60-F103 HydrophobicContact CB-CZ 4.3Å; V60-F103 HydrophobicContact CG1-CD2 3.62Å; V60-F103 HydrophobicContact CG1-CE1 4.33Å; V60-F103 HydrophobicContact CG1-CE2 3.4Å; V60-F103 HydrophobicContact CG1-CG 4.23Å; V60-F103 HydrophobicContact CG1-CZ 3.79Å; V60-F103 HydrophobicContact CG2-CD1 3.97Å; V60-F103 HydrophobicContact CG2-CD2 4.31Å; V60-F103 HydrophobicContact CG2-CE1 4.13Å; V60-F103 HydrophobicContact CG2-CG 4.06Å; V60-F103 HydrophobicContact CG2-CZ 4.41Å
61G96.5Very high95.1Very high0 Ų023.6 Ų23.60%015%0.154CC..EExtended strand (participates in β ladder)trans-159.4157.9172.800000112.5A52 A53 G98A52-G61 CarbonylContact C-O 3.57Å; A52-G61 WeakPolarHBondContact CA-O 3.43Å; A53-G61 PolarHBondContact N-O 3.13Å; A53-G61 PolarHBondContact O-N 3.47Å; G61-G98 CarbonylContact C-O 3.58Å; G61-G98 WeakPolarHBondContact CA-O 3.3Å
62I97.7Very high95Very high1 Ų129.4 Ų29.41%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-145.2142.2-178.8-168.263.6000110.4I14 L22 L25 Y26 I51 A52 V64 L97 G98I14-I62 HydrophobicContact CG2-CD1 3.57Å; L22-I62 HydrophobicContact CD1-CG1 4.42Å; L25-I62 HydrophobicContact CD1-CB 4.44Å; L25-I62 HydrophobicContact CD2-CB 4.06Å; L25-I62 HydrophobicContact CD2-CG2 3.4Å; Y26-I62 HydrophobicContact CE2-CG2 4.04Å; I51-I62 CarbonylContact O-C 3.57Å; A52-I62 HydrophobicContact CB-CD1 3.88Å; I62-V64 HydrophobicContact CD1-CG2 4.19Å; I62-V64 HydrophobicContact CG1-CG2 3.77Å; I62-L97 WeakPolarHBondContact O-CA 3.44Å; I62-L97 WeakPolarHBondContact O-CD1 3.4Å; I62-G98 PolarHBondContact N-O 2.95Å; I62-G98 PolarHBondContact O-N 2.69Å
63L98.3Very high94.8Very high0 Ų029.9 Ų29.90%019%0.188CC..EExtended strand (participates in β ladder)trans-125.8128.4157.1-177.1152.9000108.1S50 I51 I94 S96 L97 L112 L113 F116S50-L63 CarbonylContact C-O 3.58Å; S50-L63 WeakPolarHBondContact CA-O 3.23Å; I51-L63 PolarHBondContact N-O 3.34Å; I51-L63 PolarHBondContact O-N 3.21Å; L63-I94 HydrophobicContact CG-CG2 4.33Å; L63-S96 WeakPolarHBondContact CA-O 3.49Å; L63-L97 HydrophobicContact CB-CD1 4.1Å; L63-L97 HydrophobicContact CD1-CD1 4.22Å; L63-L97 HydrophobicContact CG-CD1 4.49Å; L63-L112 HydrophobicContact CB-CB 4.1Å; L63-L112 HydrophobicContact CD1-CB 4.39Å; L63-L113 HydrophobicContact CD1-CD1 4.49Å; L63-F116 HydrophobicContact CD1-CB 3.66Å; L63-F116 HydrophobicContact CD1-CD1 4.5Å; L63-F116 HydrophobicContact CD1-CG 4.13Å; L63-F116 HydrophobicContact CD2-CB 3.7Å; L63-F116 HydrophobicContact CD2-CD1 4.16Å; L63-F116 HydrophobicContact CD2-CD2 3.48Å; L63-F116 VanDerWaalsContact CD2-CD2 3.48Å; L63-F116 HydrophobicContact CD2-CE2 4.11Å; L63-F116 HydrophobicContact CD2-CG 3.5Å; L63-F116 HydrophobicContact CG-CB 4.38Å
64V97.8Very high94.4Very high0 Ų032.1 Ų32.10%020%0.204CC..EExtended strand (participates in β ladder)trans-120.9128.2169.1-174.20000108.1L42 L48 I49 I62 L95 S96L42-V64 HydrophobicContact CD1-CG1 4.39Å; L42-V64 HydrophobicContact CD1-CG2 4.35Å; L42-V64 HydrophobicContact CD2-CG2 4.46Å; L48-V64 HydrophobicContact CB-CG1 4.13Å; L48-V64 HydrophobicContact CD1-CG1 4.1Å; L48-V64 HydrophobicContact CD2-CG1 4.48Å; L48-V64 HydrophobicContact CG-CG1 4.46Å; I49-V64 WeakPolarHBondContact O-CA 3.43Å; I62-V64 HydrophobicContact CD1-CG2 4.19Å; I62-V64 HydrophobicContact CG1-CG2 3.77Å; V64-L95 HydrophobicContact CB-CB 4.42Å; V64-L95 HydrophobicContact CG1-CB 4.37Å; V64-L95 HydrophobicContact CG1-CD2 4.19Å; V64-L95 WeakPolarHBondContact O-CB 3.15Å; V64-L95 PolarHBondContact O-N 2.69Å; V64-S96 WeakPolarHBondContact CB-OG 3.08Å; V64-S96 WeakPolarHBondContact CG2-OG 3.49Å; V64-S96 PolarHBondContact N-O 3.22Å; V64-S96 PolarHBondContact O-N 3.4Å; V64-S96 VanDerWaalsContact O-N 3.13Å
65G97.8Very high93.8Very high0 Ų035.2 Ų35.20%023%0.23CC..EExtended strand (participates in β ladder)trans-145170.4177.400000111.8I49 Y93I49-G65 PolarHBondContact N-O 3.09Å; I49-G65 PolarHBondContact O-N 2.91Å; G65-Y93 CarbonylContact C-O 3.52Å; G65-Y93 WeakPolarHBondContact CA-O 3.27Å
66T96.9Very high93.3Very high26 Ų2639.1 Ų39.116%0.1625%0.25CC..EExtended strand (participates in β ladder)trans-142.1154.7176.5-1700000110.2S47 A92 Y93S47-T66 PolarHBondContact O-OG1 2.93Å; T66-A92 CarbonylContact O-C 3.51Å; T66-A92 VanDerWaalsContact O-CA 3.27Å; T66-A92 WeakPolarHBondContact O-CA 3.49Å; T66-Y93 HydrophobicContact CG2-CD1 4.47Å; T66-Y93 PolarHBondContact N-O 2.75Å; T66-Y93 PolarHBondContact O-N 3.49Å
67V97.5Very high93.2Very high44 Ų4436.2 Ų36.227%0.26722%0.219SC..EExtended strand (participates in β ladder)trans-107.2124.5172.91790000107.7I49 A92 V120 V197 V200I49-V67 HydrophobicContact CD1-CG2 4.22Å; V67-A92 HydrophobicContact CG2-CB 4.34Å; V67-V120 HydrophobicContact CG2-CB 4.38Å; V67-V120 HydrophobicContact CG2-CG1 3.75Å; V67-V197 HydrophobicContact CB-CG1 4.46Å; V67-V197 HydrophobicContact CG2-CB 4.43Å; V67-V197 HydrophobicContact CG2-CG1 4.14Å; V67-V200 HydrophobicContact CG1-CG1 3.77Å; V67-V200 HydrophobicContact CG2-CG1 4.43Å
68T95.5Very high93Very high34 Ų3436.3 Ų36.321%0.20921%0.212CC..EExtended strand (participates in β ladder)trans-134.5-178.1179.8-167.40000110N72 G90 V91T68-N72 VanDerWaalsContact OG1-CB 3.27Å; T68-N72 WeakPolarHBondContact OG1-CB 3.05Å; T68-G90 WeakPolarHBondContact O-CA 3.26Å; T68-V91 HydrophobicContact CG2-CG2 3.82Å; T68-V91 PolarHBondContact N-O 2.77Å; T68-V91 PolarHBondContact O-N 3.5Å
69T96.3Very high92.7Very high43 Ų4338.8 Ų38.826%0.26422%0.218SC..EExtended strand (participates in β ladder)trans-101.9155.3172.760.70000110.6G71 N72 C73 T89T69-G71 PolarHBondContact O-N 3.49Å; T69-N72 PolarHBondContact O-N 3.34Å; T69-N72 VanDerWaalsContact OG1-CG 3.26Å; T69-N72 PolarHBondContact OG1-ND2 2.85Å; T69-C73 PolarHBondContact O-N 2.8Å; T69-C73 PolarHBondContact O-SG 3.18Å; T69-T89 CarbonylContact C-O 3.57Å; T69-T89 VanDerWaalsContact CA-O 3.31Å; T69-T89 WeakPolarHBondContact CA-O 3.49Å
70L94.9Very high92.4Very high7 Ų738.2 Ų38.24%0.03722%0.215CC..G310 helixtrans-54.9-39.1178-176.264.8000112N72 C73 L80 L81 L87 T89L70-N72 VanDerWaalsContact C-N 3.25Å; L70-N72 PolarHBondContact O-N 3.26Å; L70-C73 WeakPolarHBondContact O-CB 3.16Å; L70-C73 PolarHBondContact O-N 2.89Å; L70-L80 HydrophobicContact CD1-CB 4.29Å; L70-L81 HydrophobicContact CD2-CB 4.3Å; L70-L81 HydrophobicContact CD2-CD1 4.38Å; L70-L87 HydrophobicContact CD2-CD2 4.42Å; L70-L87 HydrophobicContact CG-CD2 4.41Å; L70-L87 PolarHBondContact N-O 2.93Å; L70-T89 PolarHBondContact N-O 3.24Å
71G93.6Very high92.3Very high25 Ų2538.1 Ų38.126%0.25821%0.214SC..G310 helixtrans-69.2-17.8177.300000115.2T69 L87T69-G71 PolarHBondContact O-N 3.49Å; G71-L87 PolarHBondContact N-O 3.1Å
72N94.4Very high92.1Very high121 Ų12138.2 Ų38.265%0.64722%0.215SC*.G310 helixtrans-95.1-2.9175.7-71.8-8.1000112.6T68 T69 L70T68-N72 VanDerWaalsContact OG1-CB 3.27Å; T68-N72 WeakPolarHBondContact OG1-CB 3.05Å; T69-N72 PolarHBondContact O-N 3.34Å; T69-N72 VanDerWaalsContact OG1-CG 3.26Å; T69-N72 PolarHBondContact OG1-ND2 2.85Å; L70-N72 VanDerWaalsContact C-N 3.25Å; L70-N72 PolarHBondContact O-N 3.26Å
73C91.3Very high91.8Very high10 Ų1043 Ų437%0.06825%0.249CC..SBendtrans-71.7165.9175.9-64.80000111T69 L70 D77 Y78 V91T69-C73 PolarHBondContact O-N 2.8Å; T69-C73 PolarHBondContact O-SG 3.18Å; L70-C73 WeakPolarHBondContact O-CB 3.16Å; L70-C73 PolarHBondContact O-N 2.89Å; C73-D77 HydrophobicContact CB-CB 4.19Å; C73-Y78 HydrophobicContact CB-CD1 4.48Å; C73-Y78 VanDerWaalsContact O-CE1 3.28Å; C73-Y78 WeakPolarHBondContact O-CE1 3.48Å; C73-V91 WeakPolarHBondContact SG-CG2 3.27Å
74S87.3Confident91.5Very high47 Ų4747.1 Ų47.133%0.32928%0.277SS..  trans-65151.4171.387.20000110.2D76 D77 Y78S74-D76 PolarHBondContact O-N 2.86Å; S74-D76 VanDerWaalsContact O-N 3.15Å; S74-D77 WeakPolarHBondContact O-CA 3.34Å; S74-D77 PolarHBondContact O-N 3.06Å; S74-D77 VanDerWaalsContact OG-CG 3.31Å; S74-D77 PolarHBondContact OG-OD2 3.4Å; S74-Y78 WeakPolarHBondContact O-CD1 3.49Å; S74-Y78 PolarHBondContact O-N 3.24Å
75A82.1Confident91.4Very high70 Ų7048.8 Ų48.858%0.57928%0.284SS*.G310 helixtrans-58.4-31.2-178.100000112.9D77 Y78A75-D77 PolarHBondContact O-N 3.41Å; A75-Y78 HydrophobicContact CB-CD2 4.45Å; A75-Y78 HydrophobicContact CB-CE2 4.09Å; A75-Y78 PolarHBondContact O-N 2.74Å
76D81.5Confident91.2Very high96 Ų9652.4 Ų52.451%0.51331%0.308SS..G310 helixtrans-65-25.8175.2-62.7-24.7000112.3S74 H227 R229S74-D76 PolarHBondContact O-N 2.86Å; S74-D76 VanDerWaalsContact O-N 3.15Å; D76-H227 PolarHBondContact O-CE1 2.86Å; D76-R229 IonicContact OD2-CZ 2.65Å; D76-R229 IonicContact OD2-NH2 3.69Å; D76-R229 PolarHBondContact OD2-NH2 2.91Å
77D85.6Confident91.1Very high3 Ų356.5 Ų56.52%0.01633%0.328CS..G310 helixtrans-98.45.9-175.7-57.9-45.9000112.7C73 S74 A75 K79 L80 Y204 H206 R229C73-D77 HydrophobicContact CB-CB 4.19Å; S74-D77 WeakPolarHBondContact O-CA 3.34Å; S74-D77 PolarHBondContact O-N 3.06Å; S74-D77 VanDerWaalsContact OG-CG 3.31Å; S74-D77 PolarHBondContact OG-OD2 3.4Å; A75-D77 PolarHBondContact O-N 3.41Å; D77-K79 PolarHBondContact O-N 3.22Å; D77-K79 VanDerWaalsContact O-N 3.1Å; D77-L80 HydrophobicContact CB-CD1 3.92Å; D77-L80 HydrophobicContact CB-CG 4.2Å; D77-L80 WeakPolarHBondContact O-CB 3.45Å; D77-L80 WeakPolarHBondContact O-CD1 3.24Å; D77-L80 WeakPolarHBondContact O-CG 3.05Å; D77-L80 PolarHBondContact O-N 2.77Å; D77-L80 VanDerWaalsContact O-N 3.15Å; D77-Y204 HydrophobicContact CB-CE2 4.33Å; D77-H206 IonicContact OD1-NE2 2.9Å; D77-H206 IonicContact OD2-CE1 2.68Å; D77-H206 IonicContact OD2-NE2 3.18Å; D77-R229 IonicContact OD1-NH1 3.75Å; D77-R229 PolarHBondContact OD1-NH1 2.76Å; D77-R229 IonicContact OD2-NH1 2.86Å; D77-R229 PolarHBondContact OD2-NH1 3.27Å
78Y83.8Confident91Very high113 Ų11358.7 Ų58.744%0.44335%0.346SS..G310 helixtrans-63.9-18.1176-68.9-12000113.7C73 S74 A75 L80C73-Y78 HydrophobicContact CB-CD1 4.48Å; C73-Y78 VanDerWaalsContact O-CE1 3.28Å; C73-Y78 WeakPolarHBondContact O-CE1 3.48Å; S74-Y78 WeakPolarHBondContact O-CD1 3.49Å; S74-Y78 PolarHBondContact O-N 3.24Å; A75-Y78 HydrophobicContact CB-CD2 4.45Å; A75-Y78 HydrophobicContact CB-CE2 4.09Å; A75-Y78 PolarHBondContact O-N 2.74Å; Y78-L80 VanDerWaalsContact C-N 3.27Å; Y78-L80 PolarHBondContact O-N 2.67Å
79K86.4Confident91.1Very high156 Ų15657.8 Ų57.868%0.67834%0.34SS*.G310 helixtrans-85.810.6177.6-62.2-179.8-1781750113.8D77 L81 L226 L254D77-K79 PolarHBondContact O-N 3.22Å; D77-K79 VanDerWaalsContact O-N 3.1Å; K79-L81 PolarHBondContact O-N 3.22Å; K79-L226 HydrophobicContact CB-CD2 4.23Å; K79-L226 WeakPolarHBondContact O-CD2 3.32Å; K79-L254 WeakPolarHBondContact O-CD2 3.34Å
80L90.9Very high91.1Very high0 Ų056.8 Ų56.80%034%0.338CS..G310 helixtrans-61.8-29.2175.9-74.9170.4000112.7L70 D77 Y78 Y204 L226 T244 V246 H248 L254L70-L80 HydrophobicContact CD1-CB 4.29Å; D77-L80 HydrophobicContact CB-CD1 3.92Å; D77-L80 HydrophobicContact CB-CG 4.2Å; D77-L80 WeakPolarHBondContact O-CB 3.45Å; D77-L80 WeakPolarHBondContact O-CD1 3.24Å; D77-L80 WeakPolarHBondContact O-CG 3.05Å; D77-L80 PolarHBondContact O-N 2.77Å; D77-L80 VanDerWaalsContact O-N 3.15Å; Y78-L80 VanDerWaalsContact C-N 3.27Å; Y78-L80 PolarHBondContact O-N 2.67Å; L80-Y204 HydrophobicContact CD1-CD1 3.43Å; L80-Y204 VanDerWaalsContact CD1-CD1 3.43Å; L80-Y204 HydrophobicContact CD1-CD2 3.89Å; L80-Y204 HydrophobicContact CD1-CE1 3.56Å; L80-Y204 HydrophobicContact CD1-CE2 4Å; L80-Y204 HydrophobicContact CD1-CG 3.6Å; L80-Y204 VanDerWaalsContact CD2-CB 3.44Å; L80-Y204 HydrophobicContact CD2-CD1 4.24Å; L80-Y204 HydrophobicContact CD2-CD2 3.92Å; L80-Y204 HydrophobicContact CD2-CG 3.62Å; L80-Y204 HydrophobicContact CG-CD1 4.47Å; L80-Y204 HydrophobicContact CG-CD2 4.5Å; L80-Y204 HydrophobicContact CG-CG 4.26Å; L80-L226 HydrophobicContact CD2-CD2 4.27Å; L80-T244 HydrophobicContact CD2-CG2 4.14Å; L80-V246 HydrophobicContact CD2-CB 3.91Å; L80-V246 HydrophobicContact CD2-CG2 3.86Å; L80-H248 PolarHBondContact O-NE2 2.94Å; L80-L254 WeakPolarHBondContact O-CD2 3.36Å
81L92.9Very high91.2Very high5 Ų556.4 Ų56.43%0.02634%0.336CS..SBendtrans-132.4160.6-179.2-69.2171000110.3L70 K79 F85 T89 V91 R201 A202 H253L70-L81 HydrophobicContact CD2-CB 4.3Å; L70-L81 HydrophobicContact CD2-CD1 4.38Å; K79-L81 PolarHBondContact O-N 3.22Å; L81-F85 HydrophobicContact CB-CB 4.19Å; L81-F85 HydrophobicContact CB-CD2 3.86Å; L81-F85 HydrophobicContact CB-CG 4.15Å; L81-F85 HydrophobicContact CD1-CB 4.32Å; L81-F85 HydrophobicContact CD1-CG 4.25Å; L81-F85 HydrophobicContact CD2-CD2 4.37Å; L81-F85 HydrophobicContact CD2-CE2 4.36Å; L81-T89 HydrophobicContact CD1-CG2 3.61Å; L81-V91 HydrophobicContact CD1-CG1 3.84Å; L81-R201 HydrophobicContact CD1-CB 3.96Å; L81-R201 HydrophobicContact CD2-CB 4.06Å; L81-A202 HydrophobicContact CD2-CB 4.02Å; L81-A202 HydrophobicContact CG-CB 4.3Å; L81-H253 CarbonylContact C-O 3.6Å; L81-H253 WeakPolarHBondContact CA-O 3.39Å
82A91.8Very high91.4Very high1 Ų155.2 Ų55.21%0.00832%0.324CS..  trans-57.5146.4171.500000110.8S84 F85 H253 D255A82-S84 PolarHBondContact O-N 2.73Å; A82-F85 HydrophobicContact CB-CD2 3.9Å; A82-F85 HydrophobicContact CB-CE2 4.04Å; A82-F85 WeakPolarHBondContact O-CD2 3.28Å; A82-F85 PolarHBondContact O-N 3.31Å; A82-H253 WeakPolarHBondContact CB-O 3.47Å; A82-H253 PolarHBondContact N-O 2.83Å; A82-D255 WeakPolarHBondContact CA-OD1 3.15Å; A82-D255 HydrophobicContact CB-CB 4.5Å; A82-D255 WeakPolarHBondContact CB-OD1 3.47Å
83S90.7Very high91.6Very high103 Ų10351.7 Ų51.772%0.7230%0.302SS*.THydrogen-bonded Turntrans-57.1-17.3176.6610000114.2F85 D255S83-F85 VanDerWaalsContact C-N 3.28Å; S83-F85 PolarHBondContact O-N 2.92Å; S83-D255 WeakPolarHBondContact CB-OD2 3.16Å; S83-D255 PolarHBondContact N-OD1 3.27Å; S83-D255 PolarHBondContact N-OD2 3.37Å; S83-D255 PolarHBondContact OG-OD1 2.81Å; S83-D255 PolarHBondContact OG-OD2 3.22Å
84S93.2Very high91.9Very high86 Ų8651.4 Ų51.460%0.60130%0.3SS*.THydrogen-bonded Turntrans-69.7-20173.260.60000114A82A82-S84 PolarHBondContact O-N 2.73Å
85F94.6Very high92.3Very high34 Ų3452.1 Ų52.115%0.14930%0.3CS..SBendtrans-80.4133.3178.1-72.3-87.3000111.2L81 A82 S83 T89 R201 H253L81-F85 HydrophobicContact CB-CB 4.19Å; L81-F85 HydrophobicContact CB-CD2 3.86Å; L81-F85 HydrophobicContact CB-CG 4.15Å; L81-F85 HydrophobicContact CD1-CB 4.32Å; L81-F85 HydrophobicContact CD1-CG 4.25Å; L81-F85 HydrophobicContact CD2-CD2 4.37Å; L81-F85 HydrophobicContact CD2-CE2 4.36Å; A82-F85 HydrophobicContact CB-CD2 3.9Å; A82-F85 HydrophobicContact CB-CE2 4.04Å; A82-F85 WeakPolarHBondContact O-CD2 3.28Å; A82-F85 PolarHBondContact O-N 3.31Å; S83-F85 VanDerWaalsContact C-N 3.28Å; S83-F85 PolarHBondContact O-N 2.92Å; F85-T89 HydrophobicContact CD1-CG2 4.15Å; F85-R201 HydrophobicContact CD1-CG 4.33Å; F85-R201 HydrophobicContact CE1-CB 4.46Å; F85-R201 HydrophobicContact CE1-CG 4.09Å; F85-H253 AromaticContact CE2-CE1 3.39Å; F85-H253 WeakPolarHBondContact CE2-CE1 3.39Å; F85-H253 AromaticContact CE2-ND1 3.47Å; F85-H253 WeakPolarHBondContact CE2-ND1 3.15Å; F85-H253 AromaticContact CE2-NE2 3.94Å; F85-H253 AromaticContact CZ-CE1 3.62Å; F85-H253 AromaticContact CZ-ND1 3.55Å
86P94.9Very high93Very high76 Ų7649.2 Ų49.249%0.49428%0.275SS..  trans-66.7152.6177.327.4-34.1000111.3S88 T89P86-S88 PolarHBondContact O-N 3.13Å; P86-S88 VanDerWaalsContact O-N 3.1Å; P86-T89 VanDerWaalsContact CD-OG1 3.27Å; P86-T89 WeakPolarHBondContact CD-OG1 3.48Å; P86-T89 WeakPolarHBondContact CG-OG1 3.46Å; P86-T89 WeakPolarHBondContact O-CB 3.42Å; P86-T89 PolarHBondContact O-N 3.38Å; P86-T89 PolarHBondContact O-OG1 3.08Å
87L93.9Very high93.8Very high112 Ų11245.6 Ų45.659%0.58626%0.256SS*.THydrogen-bonded Turntrans-62.5-18.3177.1-66179.9000113.7L70 G71 T89L70-L87 HydrophobicContact CD2-CD2 4.42Å; L70-L87 HydrophobicContact CG-CD2 4.41Å; L70-L87 PolarHBondContact N-O 2.93Å; G71-L87 PolarHBondContact N-O 3.1Å; L87-T89 PolarHBondContact O-N 3.01Å
88S95.5Very high94.3Very high91 Ų9145.8 Ų45.864%0.63626%0.258SS*.THydrogen-bonded Turntrans-76-4171.756.20000113.8P86 G90P86-S88 PolarHBondContact O-N 3.13Å; P86-S88 VanDerWaalsContact O-N 3.1Å; S88-G90 PolarHBondContact O-N 3.08Å
89T96.8Very high94.9Very high14 Ų1441 Ų419%0.08624%0.241CC..  trans-62.4128.8-179.5-60.10000110.9T69 L70 L81 F85 P86 L87 R201T69-T89 CarbonylContact C-O 3.57Å; T69-T89 VanDerWaalsContact CA-O 3.31Å; T69-T89 WeakPolarHBondContact CA-O 3.49Å; L70-T89 PolarHBondContact N-O 3.24Å; L81-T89 HydrophobicContact CD1-CG2 3.61Å; F85-T89 HydrophobicContact CD1-CG2 4.15Å; P86-T89 VanDerWaalsContact CD-OG1 3.27Å; P86-T89 WeakPolarHBondContact CD-OG1 3.48Å; P86-T89 WeakPolarHBondContact CG-OG1 3.46Å; P86-T89 WeakPolarHBondContact O-CB 3.42Å; P86-T89 PolarHBondContact O-N 3.38Å; P86-T89 PolarHBondContact O-OG1 3.08Å; L87-T89 PolarHBondContact O-N 3.01Å; T89-R201 HydrophobicContact CG2-CB 3.75Å; T89-R201 HydrophobicContact CG2-CG 3.39Å
90G97.2Very high95.3Very high22 Ų2234.2 Ų34.223%0.22721%0.212CC..EExtended strand (participates in β ladder)trans-69.9134.317700000112.6T68 S88 V200 R201T68-G90 WeakPolarHBondContact O-CA 3.26Å; S88-G90 PolarHBondContact O-N 3.08Å; G90-V200 WeakPolarHBondContact O-CA 3.37Å; G90-V200 WeakPolarHBondContact O-CB 3.32Å; G90-R201 PolarHBondContact O-N 3.44Å
91V97.8Very high95.3Very high0 Ų037.4 Ų37.40%023%0.234CC..EExtended strand (participates in β ladder)trans-135.7149.4173.5-61.60000109.4T68 C73 L81 A202 Y204T68-V91 HydrophobicContact CG2-CG2 3.82Å; T68-V91 PolarHBondContact N-O 2.77Å; T68-V91 PolarHBondContact O-N 3.5Å; C73-V91 WeakPolarHBondContact SG-CG2 3.27Å; L81-V91 HydrophobicContact CD1-CG1 3.84Å; V91-A202 CarbonylContact C-O 3.59Å; V91-A202 WeakPolarHBondContact CA-O 3.42Å; V91-A202 HydrophobicContact CG1-CB 4.17Å; V91-Y204 HydrophobicContact CG2-CE1 4.22Å
92A98.1Very high95.2Very high0 Ų040.9 Ų40.90%026%0.259CS..EExtended strand (participates in β ladder)trans-109.3131176.200000110.7T66 V67 F116 V120 V200 A202 V203 Y204T66-A92 CarbonylContact O-C 3.51Å; T66-A92 VanDerWaalsContact O-CA 3.27Å; T66-A92 WeakPolarHBondContact O-CA 3.49Å; V67-A92 HydrophobicContact CG2-CB 4.34Å; A92-F116 HydrophobicContact CB-CE1 4.02Å; A92-F116 HydrophobicContact CB-CZ 4.15Å; A92-V120 HydrophobicContact CB-CB 4.09Å; A92-V120 HydrophobicContact CB-CG1 4.08Å; A92-V120 HydrophobicContact CB-CG2 3.88Å; A92-V200 HydrophobicContact CB-CG1 4.27Å; A92-V200 HydrophobicContact CB-CG2 4.16Å; A92-A202 PolarHBondContact N-O 2.94Å; A92-V203 HydrophobicContact CB-CG1 4.31Å; A92-V203 HydrophobicContact CB-CG2 4.21Å; A92-V203 CarbonylContact O-C 3.58Å; A92-V203 VanDerWaalsContact O-CA 3.31Å; A92-V203 WeakPolarHBondContact O-CA 3.29Å; A92-Y204 WeakPolarHBondContact O-CD1 3.21Å; A92-Y204 PolarHBondContact O-N 3.46Å
93Y97.9Very high95.1Very high47 Ų4742.1 Ų42.118%0.18427%0.265CS..EExtended strand (participates in β ladder)trans-105.3124.6173.8178-128.8000109.7G65 T66 L95 Y204 H206G65-Y93 CarbonylContact C-O 3.52Å; G65-Y93 WeakPolarHBondContact CA-O 3.27Å; T66-Y93 HydrophobicContact CG2-CD1 4.47Å; T66-Y93 PolarHBondContact N-O 2.75Å; T66-Y93 PolarHBondContact O-N 3.49Å; Y93-L95 HydrophobicContact CD1-CD1 4.21Å; Y93-L95 HydrophobicContact CE1-CB 4.33Å; Y93-L95 HydrophobicContact CE1-CD1 3.44Å; Y93-L95 VanDerWaalsContact CE1-CD1 3.44Å; Y93-Y204 WeakPolarHBondContact CA-O 3.46Å; Y93-Y204 HydrophobicContact CD2-CD1 4.4Å; Y93-Y204 AromaticContact CD2-CD2 3.74Å; Y93-Y204 HydrophobicContact CD2-CD2 3.74Å; Y93-Y204 HydrophobicContact CD2-CE1 4.03Å; Y93-Y204 AromaticContact CD2-CE2 3.32Å; Y93-Y204 HydrophobicContact CD2-CE2 3.32Å; Y93-Y204 HydrophobicContact CD2-CG 4.27Å; Y93-Y204 AromaticContact CD2-CZ 3.48Å; Y93-Y204 VanDerWaalsContact CD2-CZ 3.48Å; Y93-Y204 WeakPolarHBondContact CD2-O 3.49Å; Y93-Y204 HydrophobicContact CE2-CD2 4.27Å; Y93-Y204 AromaticContact CE2-CE2 3.85Å; Y93-Y204 HydrophobicContact CE2-CE2 3.85Å; Y93-Y204 HydrophobicContact CG-CE1 4.17Å; Y93-Y204 HydrophobicContact CG-CE2 4.09Å; Y93-Y204 AromaticContact CG-CZ 3.76Å; Y93-H206 AromaticContact CE2-CE1 3.76Å; Y93-H206 AromaticContact CE2-ND1 3.7Å; Y93-H206 AromaticContact CZ-ND1 3.75Å; Y93-H206 PolarHBondContact OH-ND1 3.2Å; Y93-H206 VanDerWaalsContact OH-ND1 3.07Å
94I98.3Very high95.1Very high4 Ų443.2 Ų43.22%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-89.1112.9169.7-59.6170.9000107.5L63 S96 L97 L113 F116 V203 Y204 L205L63-I94 HydrophobicContact CG-CG2 4.33Å; I94-S96 WeakPolarHBondContact CG2-O 3.31Å; I94-L97 HydrophobicContact CG2-CB 4.36Å; I94-L113 HydrophobicContact CD1-CD1 3.43Å; I94-L113 VanDerWaalsContact CD1-CD1 3.43Å; I94-F116 HydrophobicContact CD1-CD1 4.01Å; I94-F116 HydrophobicContact CD1-CE1 4.22Å; I94-F116 HydrophobicContact CG1-CD1 3.86Å; I94-F116 HydrophobicContact CG1-CE1 3.61Å; I94-F116 HydrophobicContact CG1-CZ 4.49Å; I94-V203 HydrophobicContact CD1-CG1 3.77Å; I94-V203 HydrophobicContact CG1-CG1 4.01Å; I94-Y204 PolarHBondContact N-O 3.02Å; I94-L205 HydrophobicContact CB-CB 4.03Å; I94-L205 HydrophobicContact CD1-CD2 4.49Å
95L95.7Very high94.8Very high62 Ų6245.6 Ų45.633%0.32527%0.27SS..EExtended strand (participates in β ladder)trans-76.5-40.1-179.8-16869.6000111.1W38 L48 V64 Y93W38-L95 HydrophobicContact CZ2-CD2 4.07Å; L48-L95 HydrophobicContact CD1-CD2 4.43Å; V64-L95 HydrophobicContact CB-CB 4.42Å; V64-L95 HydrophobicContact CG1-CB 4.37Å; V64-L95 HydrophobicContact CG1-CD2 4.19Å; V64-L95 WeakPolarHBondContact O-CB 3.15Å; V64-L95 PolarHBondContact O-N 2.69Å; Y93-L95 HydrophobicContact CD1-CD1 4.21Å; Y93-L95 HydrophobicContact CE1-CB 4.33Å; Y93-L95 HydrophobicContact CE1-CD1 3.44Å; Y93-L95 VanDerWaalsContact CE1-CD1 3.44Å
96S95.7Very high94.4Very high8 Ų848.6 Ų48.66%0.05628%0.28CS..EExtended strand (participates in β ladder)trans-151.6145.2178.365.90000111.7Y26 L63 V64 I94Y26-S96 WeakPolarHBondContact OH-CB 3.21Å; Y26-S96 PolarHBondContact OH-OG 3.36Å; L63-S96 WeakPolarHBondContact CA-O 3.49Å; V64-S96 WeakPolarHBondContact CB-OG 3.08Å; V64-S96 WeakPolarHBondContact CG2-OG 3.49Å; V64-S96 PolarHBondContact N-O 3.22Å; V64-S96 PolarHBondContact O-N 3.4Å; V64-S96 VanDerWaalsContact O-N 3.13Å; I94-S96 WeakPolarHBondContact CG2-O 3.31Å
97L97.8Very high94.1Very high21 Ų2146.2 Ų46.211%0.1127%0.269CS..EExtended strand (participates in β ladder)trans-143.3115.6167.5174.158.7000108F30 I62 L63 I94 A109 L112 L113 F217 Y218F30-L97 WeakPolarHBondContact CE1-O 3.49Å; I62-L97 WeakPolarHBondContact O-CA 3.44Å; I62-L97 WeakPolarHBondContact O-CD1 3.4Å; L63-L97 HydrophobicContact CB-CD1 4.1Å; L63-L97 HydrophobicContact CD1-CD1 4.22Å; L63-L97 HydrophobicContact CG-CD1 4.49Å; I94-L97 HydrophobicContact CG2-CB 4.36Å; L97-A109 HydrophobicContact CD1-CB 4.38Å; L97-L112 HydrophobicContact CD1-CB 4.08Å; L97-L112 HydrophobicContact CD1-CD1 4.21Å; L97-L113 HydrophobicContact CD2-CB 4.04Å; L97-L113 HydrophobicContact CD2-CD1 4.43Å; L97-L113 HydrophobicContact CD2-CD2 4.38Å; L97-F217 HydrophobicContact CD2-CE1 3.73Å; L97-F217 HydrophobicContact CD2-CZ 4.24Å; L97-Y218 HydrophobicContact CD2-CE1 3.99Å
98G96.3Very high94Very high7 Ų741 Ų417%0.07224%0.242CC..EExtended strand (participates in β ladder)trans-144.6145.7-173.600000112G61 I62G61-G98 CarbonylContact C-O 3.58Å; G61-G98 WeakPolarHBondContact CA-O 3.3Å; I62-G98 PolarHBondContact N-O 2.95Å; I62-G98 PolarHBondContact O-N 2.69Å
99V96.5Very high94Very high13 Ų1337.8 Ų37.88%0.07922%0.221CC..EExtended strand (participates in β ladder)trans-140.1131.6174.3-1800000108.9C29 V60 F103 R104 V108 A109C29-V99 VanDerWaalsContact SG-C 3.54Å; V60-V99 WeakPolarHBondContact O-CA 3.4Å; V99-F103 HydrophobicContact CG1-CB 3.66Å; V99-R104 PolarHBondContact O-NE 2.94Å; V99-R104 VanDerWaalsContact O-NE 3.1Å; V99-V108 HydrophobicContact CG1-CB 4.08Å; V99-V108 HydrophobicContact CG1-CG1 4.24Å; V99-V108 HydrophobicContact CG2-CB 4.07Å; V99-V108 HydrophobicContact CG2-CG1 3.89Å; V99-A109 HydrophobicContact CG2-CB 3.72Å
100T95.3Very high93.8Very high12 Ų1237.7 Ų37.77%0.07422%0.22CC..  trans-56.4144.9176.157.70000110.8E28 V60 S102 F103 R104E28-T100 WeakPolarHBondContact OE1-CA 3.09Å; E28-T100 WeakPolarHBondContact OE2-CG2 3.22Å; V60-T100 PolarHBondContact O-N 3.45Å; V60-T100 PolarHBondContact O-OG1 3.28Å; T100-S102 PolarHBondContact O-N 3.28Å; T100-F103 CarbonylContact O-C 3.45Å; T100-F103 WeakPolarHBondContact O-CA 3.32Å; T100-F103 PolarHBondContact O-N 3.13Å; T100-F103 WeakPolarHBondContact OG1-CD2 3.42Å; T100-R104 WeakPolarHBondContact O-CG 3.23Å; T100-R104 PolarHBondContact O-N 3.27Å; T100-R104 VanDerWaalsContact O-N 3.08Å
101S91.6Very high93.5Very high67 Ų6736.7 Ų36.747%0.46921%0.21SC..G310 helixtrans-51-41.1-176.5540000113.4E28 F103 R104E28-S101 WeakPolarHBondContact OE1-CB 3.27Å; E28-S101 PolarHBondContact OE1-N 2.76Å; E28-S101 PolarHBondContact OE1-OG 3.04Å; S101-F103 PolarHBondContact O-N 3.08Å; S101-R104 PolarHBondContact O-N 2.84Å
102S90.4Very high93.4Very high79 Ų7936.7 Ų36.755%0.55221%0.21SC*.G310 helixtrans-61.2-26.5176.8-58.80000114.1T100 R106T100-S102 PolarHBondContact O-N 3.28Å; S102-R106 PolarHBondContact O-NE 2.93Å; S102-R106 PolarHBondContact O-NH2 3.3Å
103F90.1Very high93.3Very high27 Ų2736.7 Ų36.712%0.11821%0.21CC..G310 helixtrans-108.21.4-178.4-73.5-99.5000113.9I6 L9 S55 V60 V99 T100 S101 V108I6-F103 HydrophobicContact CG2-CE1 3.77Å; I6-F103 HydrophobicContact CG2-CZ 4.29Å; L9-F103 HydrophobicContact CD1-CD1 4.49Å; L9-F103 HydrophobicContact CD1-CE1 4.33Å; S55-F103 VanDerWaalsContact CB-CZ 3.49Å; S55-F103 WeakPolarHBondContact OG-CZ 3.03Å; V60-F103 HydrophobicContact CB-CB 4.35Å; V60-F103 HydrophobicContact CB-CD1 4.18Å; V60-F103 HydrophobicContact CB-CD2 3.62Å; V60-F103 HydrophobicContact CB-CE1 4.4Å; V60-F103 HydrophobicContact CB-CE2 3.92Å; V60-F103 HydrophobicContact CB-CG 3.79Å; V60-F103 HydrophobicContact CB-CZ 4.3Å; V60-F103 HydrophobicContact CG1-CD2 3.62Å; V60-F103 HydrophobicContact CG1-CE1 4.33Å; V60-F103 HydrophobicContact CG1-CE2 3.4Å; V60-F103 HydrophobicContact CG1-CG 4.23Å; V60-F103 HydrophobicContact CG1-CZ 3.79Å; V60-F103 HydrophobicContact CG2-CD1 3.97Å; V60-F103 HydrophobicContact CG2-CD2 4.31Å; V60-F103 HydrophobicContact CG2-CE1 4.13Å; V60-F103 HydrophobicContact CG2-CG 4.06Å; V60-F103 HydrophobicContact CG2-CZ 4.41Å; V99-F103 HydrophobicContact CG1-CB 3.66Å; T100-F103 CarbonylContact O-C 3.45Å; T100-F103 WeakPolarHBondContact O-CA 3.32Å; T100-F103 PolarHBondContact O-N 3.13Å; T100-F103 WeakPolarHBondContact OG1-CD2 3.42Å; S101-F103 PolarHBondContact O-N 3.08Å; F103-V108 HydrophobicContact CB-CG2 4.39Å; F103-V108 HydrophobicContact CD1-CG2 4.49Å
104R90Very high93.1Very high125 Ų12534.6 Ų34.647%0.47220%0.202SC..THydrogen-bonded Turntrans-64.7154.1174.7-72178.4-165.9167.53.2111.5V99 T100 S101 R106V99-R104 PolarHBondContact O-NE 2.94Å; V99-R104 VanDerWaalsContact O-NE 3.1Å; T100-R104 WeakPolarHBondContact O-CG 3.23Å; T100-R104 PolarHBondContact O-N 3.27Å; T100-R104 VanDerWaalsContact O-N 3.08Å; S101-R104 PolarHBondContact O-N 2.84Å; R104-R106 PolarHBondContact O-N 3.31Å; R104-R106 VanDerWaalsContact O-N 3.13Å
105S86.2Confident92.9Very high136 Ų13634.4 Ų34.495%0.95120%0.201SC*.THydrogen-bonded Turntrans59.421.2179.1-52.90000114.9
106R86.1Confident93Very high98 Ų9831.5 Ų31.537%0.3719%0.185SC..THydrogen-bonded Turntrans-1127.1176.1-59176.9-168.9-94.76113.9S102 R104S102-R106 PolarHBondContact O-NE 2.93Å; S102-R106 PolarHBondContact O-NH2 3.3Å; R104-R106 PolarHBondContact O-N 3.31Å; R104-R106 VanDerWaalsContact O-N 3.13Å
107G88.9Confident93.1Very high25 Ų2531.1 Ų31.126%0.25818%0.183SC..THydrogen-bonded Turntrans87.1-4.6179.700000115.8A109 S110 I111G107-A109 PolarHBondContact O-N 2.78Å; G107-S110 WeakPolarHBondContact O-CA 3.41Å; G107-S110 VanDerWaalsContact O-CB 3.27Å; G107-S110 WeakPolarHBondContact O-CB 3.33Å; G107-S110 PolarHBondContact O-N 3.06Å; G107-I111 PolarHBondContact O-N 3.4Å
108V92Very high92.9Very high3 Ų330.1 Ų30.12%0.01818%0.178CC..Hα-helixtrans-54.2-50.4-179.4-178.90000112.5L9 A53 V99 F103 S110 I111 L112L9-V108 HydrophobicContact CD2-CG2 3.99Å; A53-V108 HydrophobicContact CB-CG1 3.62Å; V99-V108 HydrophobicContact CG1-CB 4.08Å; V99-V108 HydrophobicContact CG1-CG1 4.24Å; V99-V108 HydrophobicContact CG2-CB 4.07Å; V99-V108 HydrophobicContact CG2-CG1 3.89Å; F103-V108 HydrophobicContact CB-CG2 4.39Å; F103-V108 HydrophobicContact CD1-CG2 4.49Å; V108-S110 PolarHBondContact O-N 2.86Å; V108-I111 WeakPolarHBondContact O-CG2 3.16Å; V108-I111 PolarHBondContact O-N 2.63Å; V108-L112 HydrophobicContact CG1-CD1 4.11Å; V108-L112 HydrophobicContact CG1-CG 4.5Å; V108-L112 VanDerWaalsContact O-CG 3.29Å; V108-L112 WeakPolarHBondContact O-CG 3.12Å; V108-L112 PolarHBondContact O-N 3.35Å
109A94.8Very high92.9Very high24 Ų2430.9 Ų30.920%0.19818%0.178CC..Hα-helixtrans-63-31.717700000112.4L97 V99 G107 L113 F217L97-A109 HydrophobicContact CD1-CB 4.38Å; V99-A109 HydrophobicContact CG2-CB 3.72Å; G107-A109 PolarHBondContact O-N 2.78Å; A109-L113 VanDerWaalsContact O-CB 3.24Å; A109-L113 WeakPolarHBondContact O-CB 3.31Å; A109-L113 PolarHBondContact O-N 3.32Å; A109-F217 HydrophobicContact CB-CE2 4.02Å; A109-F217 HydrophobicContact CB-CZ 3.8Å
110S92.4Very high93Very high11 Ų1130.2 Ų30.28%0.07718%0.175CC..Hα-helixtrans-70-44.3-179.4-54.40000111.1G107 V108 R114 R221G107-S110 WeakPolarHBondContact O-CA 3.41Å; G107-S110 VanDerWaalsContact O-CB 3.27Å; G107-S110 WeakPolarHBondContact O-CB 3.33Å; G107-S110 PolarHBondContact O-N 3.06Å; V108-S110 PolarHBondContact O-N 2.86Å; S110-R114 WeakPolarHBondContact O-CB 3.29Å; S110-R114 PolarHBondContact O-N 3.39Å; S110-R221 PolarHBondContact OG-NH2 2.92Å
111I92Very high93Very high1 Ų129.9 Ų29.91%0.00517%0.172CC..Hα-helixtrans-68-43.9178.3-170.376.2000110.9F11 G107 V108 L113 R114 S115 W127 L128 Y184 L187F11-I111 HydrophobicContact CE1-CG2 3.88Å; F11-I111 HydrophobicContact CZ-CG2 3.69Å; G107-I111 PolarHBondContact O-N 3.4Å; V108-I111 WeakPolarHBondContact O-CG2 3.16Å; V108-I111 PolarHBondContact O-N 2.63Å; I111-L113 PolarHBondContact O-N 3.09Å; I111-R114 PolarHBondContact O-N 3.29Å; I111-S115 VanDerWaalsContact O-CB 3.31Å; I111-S115 WeakPolarHBondContact O-CB 3.24Å; I111-S115 PolarHBondContact O-N 2.94Å; I111-S115 PolarHBondContact O-OG 3.48Å; I111-W127 HydrophobicContact CD1-CH2 3.57Å; I111-W127 HydrophobicContact CD1-CZ3 3.54Å; I111-L128 HydrophobicContact CD1-CD2 4.12Å; I111-Y184 HydrophobicContact CB-CE1 4.35Å; I111-Y184 HydrophobicContact CD1-CD1 3.73Å; I111-Y184 HydrophobicContact CD1-CE1 3.39Å; I111-Y184 HydrophobicContact CG1-CD1 3.86Å; I111-Y184 HydrophobicContact CG1-CE1 3.58Å; I111-L187 HydrophobicContact CD1-CD2 4.15Å; I111-L187 HydrophobicContact CG1-CD2 3.45Å; I111-L187 VanDerWaalsContact CG1-CD2 3.45Å
112L95.6Very high93.1Very high0 Ų029 Ų290%017%0.174CC..Hα-helixtrans-55.3-52.2175.5-69.9175.3000111.3F11 I51 A53 L63 L97 V108 F116F11-L112 HydrophobicContact CD1-CD2 3.9Å; F11-L112 HydrophobicContact CE1-CD2 3.91Å; F11-L112 HydrophobicContact CE1-CG 4.45Å; I51-L112 HydrophobicContact CB-CD2 4.03Å; I51-L112 HydrophobicContact CG2-CD2 3.41Å; I51-L112 VanDerWaalsContact CG2-CD2 3.41Å; I51-L112 WeakPolarHBondContact O-CD2 3.47Å; A53-L112 HydrophobicContact CB-CD1 4.49Å; A53-L112 HydrophobicContact CB-CD2 4.48Å; L63-L112 HydrophobicContact CB-CB 4.1Å; L63-L112 HydrophobicContact CD1-CB 4.39Å; L97-L112 HydrophobicContact CD1-CB 4.08Å; L97-L112 HydrophobicContact CD1-CD1 4.21Å; V108-L112 HydrophobicContact CG1-CD1 4.11Å; V108-L112 HydrophobicContact CG1-CG 4.5Å; V108-L112 VanDerWaalsContact O-CG 3.29Å; V108-L112 WeakPolarHBondContact O-CG 3.12Å; V108-L112 PolarHBondContact O-N 3.35Å; L112-F116 PolarHBondContact O-N 3.39Å
113L97Very high93.1Very high0 Ų028 Ų280%016%0.161CC..Hα-helixtrans-62.3-46.5179.8179.959.8000112.1L63 I94 L97 A109 I111 F116 I117 F217 Y218 F223L63-L113 HydrophobicContact CD1-CD1 4.49Å; I94-L113 HydrophobicContact CD1-CD1 3.43Å; I94-L113 VanDerWaalsContact CD1-CD1 3.43Å; L97-L113 HydrophobicContact CD2-CB 4.04Å; L97-L113 HydrophobicContact CD2-CD1 4.43Å; L97-L113 HydrophobicContact CD2-CD2 4.38Å; A109-L113 VanDerWaalsContact O-CB 3.24Å; A109-L113 WeakPolarHBondContact O-CB 3.31Å; A109-L113 PolarHBondContact O-N 3.32Å; I111-L113 PolarHBondContact O-N 3.09Å; L113-F116 PolarHBondContact O-N 2.86Å; L113-I117 HydrophobicContact CD1-CD1 3.68Å; L113-I117 HydrophobicContact CD1-CG1 4.12Å; L113-I117 HydrophobicContact CD2-CD1 4.45Å; L113-I117 HydrophobicContact CG-CD1 3.69Å; L113-I117 WeakPolarHBondContact O-CB 3.35Å; L113-I117 VanDerWaalsContact O-CG1 3.29Å; L113-I117 WeakPolarHBondContact O-CG1 3.47Å; L113-I117 PolarHBondContact O-N 2.95Å; L113-F217 HydrophobicContact CD2-CE1 3.61Å; L113-F217 HydrophobicContact CD2-CZ 3.95Å; L113-Y218 HydrophobicContact CD2-CD1 4.1Å; L113-Y218 HydrophobicContact CD2-CE1 4.09Å; L113-F223 HydrophobicContact CD1-CE2 4.4Å; L113-F223 HydrophobicContact CD1-CZ 4.22Å; L113-F223 HydrophobicContact CD2-CE2 4.12Å
114R93.6Very high92.9Very high4 Ų431.6 Ų31.62%0.01518%0.181CC..Hα-helixtrans-64.6-41.7-177.717959.8-178.794.6-2.5112.2S110 I111 G118 E123 W127S110-R114 WeakPolarHBondContact O-CB 3.29Å; S110-R114 PolarHBondContact O-N 3.39Å; I111-R114 PolarHBondContact O-N 3.29Å; R114-G118 PolarHBondContact O-N 3.37Å; R114-E123 IonicContact CZ-OE1 3.71Å; R114-E123 IonicContact CZ-OE2 2.75Å; R114-E123 IonicContact NH1-OE1 3.51Å; R114-E123 IonicContact NH1-OE2 3.63Å; R114-E123 PolarHBondContact NH1-OE2 3.04Å; R114-E123 IonicContact NH2-OE1 3.79Å; R114-E123 PolarHBondContact NH2-OE1 3.17Å; R114-E123 IonicContact NH2-OE2 2.71Å; R114-E123 PolarHBondContact NH2-OE2 2.81Å; R114-W127 HydrophobicContact CB-CH2 4.37Å; R114-W127 HydrophobicContact CG-CH2 3.71Å; R114-W127 HydrophobicContact CG-CZ2 3.71Å
115S94Very high92.8Very high0 Ų026.3 Ų26.30%016%0.162CC..Hα-helixtrans-67.3-40.9177.7-62.80000111.6I111 Y119 L187I111-S115 VanDerWaalsContact O-CB 3.31Å; I111-S115 WeakPolarHBondContact O-CB 3.24Å; I111-S115 PolarHBondContact O-N 2.94Å; I111-S115 PolarHBondContact O-OG 3.48Å; S115-Y119 WeakPolarHBondContact O-CB 3.44Å; S115-Y119 PolarHBondContact O-N 2.87Å; S115-L187 WeakPolarHBondContact OG-CD2 3.36Å
116F97.2Very high92.6Very high0 Ų024 Ų240%014%0.139CC..Hα-helixtrans-63.2-49.7173.9-178.7-100.8000112.1I49 I51 L63 A92 I94 L112 L113 G118 Y119 V120 V203I49-F116 HydrophobicContact CB-CE2 4.22Å; I49-F116 HydrophobicContact CD1-CE2 4.31Å; I49-F116 HydrophobicContact CG2-CD2 4.25Å; I49-F116 HydrophobicContact CG2-CE2 4.17Å; I51-F116 HydrophobicContact CD1-CB 4.13Å; L63-F116 HydrophobicContact CD1-CB 3.66Å; L63-F116 HydrophobicContact CD1-CD1 4.5Å; L63-F116 HydrophobicContact CD1-CG 4.13Å; L63-F116 HydrophobicContact CD2-CB 3.7Å; L63-F116 HydrophobicContact CD2-CD1 4.16Å; L63-F116 HydrophobicContact CD2-CD2 3.48Å; L63-F116 VanDerWaalsContact CD2-CD2 3.48Å; L63-F116 HydrophobicContact CD2-CE2 4.11Å; L63-F116 HydrophobicContact CD2-CG 3.5Å; L63-F116 HydrophobicContact CG-CB 4.38Å; A92-F116 HydrophobicContact CB-CE1 4.02Å; A92-F116 HydrophobicContact CB-CZ 4.15Å; I94-F116 HydrophobicContact CD1-CD1 4.01Å; I94-F116 HydrophobicContact CD1-CE1 4.22Å; I94-F116 HydrophobicContact CG1-CD1 3.86Å; I94-F116 HydrophobicContact CG1-CE1 3.61Å; I94-F116 HydrophobicContact CG1-CZ 4.49Å; L112-F116 PolarHBondContact O-N 3.39Å; L113-F116 PolarHBondContact O-N 2.86Å; F116-G118 VanDerWaalsContact C-N 3.34Å; F116-G118 PolarHBondContact O-N 2.96Å; F116-Y119 PolarHBondContact O-N 2.9Å; F116-V120 HydrophobicContact CD1-CG1 4.39Å; F116-V120 HydrophobicContact CD1-CG2 4.45Å; F116-V120 HydrophobicContact CD2-CG1 4.27Å; F116-V120 HydrophobicContact CE1-CG1 3.93Å; F116-V120 HydrophobicContact CE1-CG2 4.25Å; F116-V120 HydrophobicContact CE2-CG1 3.8Å; F116-V120 HydrophobicContact CZ-CG1 3.61Å; F116-V120 WeakPolarHBondContact O-CG2 3.45Å; F116-V120 PolarHBondContact O-N 2.68Å; F116-V203 HydrophobicContact CE1-CG1 4.23Å
117I97.1Very high92.3Very high0 Ų021.4 Ų21.40%013%0.129CC..Hα-helixtrans-57-49.1177.2-70.1164000110.2L113 Y119 V120 S121 F143 T146 V203 F223 L247 T249L113-I117 HydrophobicContact CD1-CD1 3.68Å; L113-I117 HydrophobicContact CD1-CG1 4.12Å; L113-I117 HydrophobicContact CD2-CD1 4.45Å; L113-I117 HydrophobicContact CG-CD1 3.69Å; L113-I117 WeakPolarHBondContact O-CB 3.35Å; L113-I117 VanDerWaalsContact O-CG1 3.29Å; L113-I117 WeakPolarHBondContact O-CG1 3.47Å; L113-I117 PolarHBondContact O-N 2.95Å; I117-Y119 VanDerWaalsContact C-N 3.33Å; I117-Y119 PolarHBondContact O-N 2.98Å; I117-V120 WeakPolarHBondContact O-CG2 3.19Å; I117-V120 PolarHBondContact O-N 2.65Å; I117-S121 WeakPolarHBondContact O-CB 3.33Å; I117-S121 PolarHBondContact O-N 2.88Å; I117-S121 PolarHBondContact O-OG 3.38Å; I117-F143 HydrophobicContact CD1-CE1 3.92Å; I117-T146 HydrophobicContact CG2-CG2 4.33Å; I117-V203 HydrophobicContact CG1-CG1 4.38Å; I117-V203 HydrophobicContact CG1-CG2 4.37Å; I117-F223 HydrophobicContact CD1-CE2 3.99Å; I117-F223 HydrophobicContact CD1-CZ 4.03Å; I117-L247 HydrophobicContact CD1-CD2 3.63Å; I117-L247 HydrophobicContact CG1-CD2 4.21Å; I117-L247 HydrophobicContact CG2-CD2 4.04Å; I117-T249 HydrophobicContact CG2-CG2 4.47Å
118G95Very high91.9Very high0 Ų020.5 Ų20.50%012%0.118CC..Hα-helixtrans-56.3-47.3179.100000112.5R114 F116 S121 G122 E123R114-G118 PolarHBondContact O-N 3.37Å; F116-G118 VanDerWaalsContact C-N 3.34Å; F116-G118 PolarHBondContact O-N 2.96Å; G118-S121 PolarHBondContact O-N 3.33Å; G118-G122 PolarHBondContact O-N 3.37Å; G118-E123 PolarHBondContact O-N 3.35Å
119Y96Very high90.9Very high23 Ų2324 Ų249%0.0914%0.137CC..Hα-helixtrans-61.3-51.6176.7163.4-101000112.6I49 S115 F116 I117 S121 G122 I191 L194 P195 V197I49-Y119 HydrophobicContact CD1-CE1 3.7Å; I49-Y119 HydrophobicContact CG1-CE1 4.27Å; S115-Y119 WeakPolarHBondContact O-CB 3.44Å; S115-Y119 PolarHBondContact O-N 2.87Å; F116-Y119 PolarHBondContact O-N 2.9Å; I117-Y119 VanDerWaalsContact C-N 3.33Å; I117-Y119 PolarHBondContact O-N 2.98Å; Y119-S121 VanDerWaalsContact C-N 3.29Å; Y119-S121 PolarHBondContact O-N 3.49Å; Y119-G122 PolarHBondContact O-N 2.9Å; Y119-G122 VanDerWaalsContact O-N 3.15Å; Y119-I191 HydrophobicContact CD2-CG2 4.09Å; Y119-I191 HydrophobicContact CG-CG2 4.38Å; Y119-L194 HydrophobicContact CD1-CD1 4.02Å; Y119-L194 HydrophobicContact CD2-CB 4.17Å; Y119-L194 HydrophobicContact CD2-CD1 4Å; Y119-L194 HydrophobicContact CE1-CB 4.46Å; Y119-L194 HydrophobicContact CE1-CD1 3.93Å; Y119-L194 HydrophobicContact CE2-CB 3.39Å; Y119-L194 HydrophobicContact CE2-CD1 3.89Å; Y119-L194 HydrophobicContact CE2-CG 4.3Å; Y119-L194 HydrophobicContact CG-CD1 4.04Å; Y119-P195 PolarHBondContact OH-O 2.84Å; Y119-V197 HydrophobicContact CD1-CG2 4.46Å; Y119-V197 HydrophobicContact CE1-CG1 4.42Å; Y119-V197 HydrophobicContact CE1-CG2 3.88Å; Y119-V197 HydrophobicContact CE2-CG2 4.21Å; Y119-V197 WeakPolarHBondContact OH-CG1 3.37Å
120V97.4Very high89.5Confident0 Ų025.8 Ų25.80%014%0.143CC..Hα-helixtrans-71.9-23.4-178.3-58.30000113.1V67 A92 F116 I117 G122 P199 V200 V203V67-V120 HydrophobicContact CG2-CB 4.38Å; V67-V120 HydrophobicContact CG2-CG1 3.75Å; A92-V120 HydrophobicContact CB-CB 4.09Å; A92-V120 HydrophobicContact CB-CG1 4.08Å; A92-V120 HydrophobicContact CB-CG2 3.88Å; F116-V120 HydrophobicContact CD1-CG1 4.39Å; F116-V120 HydrophobicContact CD1-CG2 4.45Å; F116-V120 HydrophobicContact CD2-CG1 4.27Å; F116-V120 HydrophobicContact CE1-CG1 3.93Å; F116-V120 HydrophobicContact CE1-CG2 4.25Å; F116-V120 HydrophobicContact CE2-CG1 3.8Å; F116-V120 HydrophobicContact CZ-CG1 3.61Å; F116-V120 WeakPolarHBondContact O-CG2 3.45Å; F116-V120 PolarHBondContact O-N 2.68Å; I117-V120 WeakPolarHBondContact O-CG2 3.19Å; I117-V120 PolarHBondContact O-N 2.65Å; V120-G122 VanDerWaalsContact C-N 3.3Å; V120-P199 WeakPolarHBondContact O-CA 3.44Å; V120-V200 HydrophobicContact CB-CG1 4.32Å; V120-V200 HydrophobicContact CB-CG2 4.01Å; V120-V200 HydrophobicContact CG2-CG2 3.77Å; V120-V200 WeakPolarHBondContact O-CG2 3.38Å; V120-V200 PolarHBondContact O-N 3.05Å; V120-V203 HydrophobicContact CG2-CG2 3.68Å
121S95.9Very high87.6Confident4 Ų430.2 Ų30.23%0.02817%0.174CC..Hα-helixtrans-81.8-7.6174-64.70000113.2I117 G118 Y119 E123 P199 T249 N250I117-S121 WeakPolarHBondContact O-CB 3.33Å; I117-S121 PolarHBondContact O-N 2.88Å; I117-S121 PolarHBondContact O-OG 3.38Å; G118-S121 PolarHBondContact O-N 3.33Å; Y119-S121 VanDerWaalsContact C-N 3.29Å; Y119-S121 PolarHBondContact O-N 3.49Å; S121-E123 VanDerWaalsContact C-N 3.3Å; S121-P199 WeakPolarHBondContact O-CB 3.48Å; S121-T249 WeakPolarHBondContact OG-CB 3.38Å; S121-T249 WeakPolarHBondContact OG-CG2 3.45Å; S121-N250 PolarHBondContact O-ND2 3.2Å
122G93.3Very high85.7Confident49 Ų4937.1 Ų37.151%0.50521%0.211SC..THydrogen-bonded Turntrans69.626.3-177.700000113.6G118 Y119 V120G118-G122 PolarHBondContact O-N 3.37Å; Y119-G122 PolarHBondContact O-N 2.9Å; Y119-G122 VanDerWaalsContact O-N 3.15Å; V120-G122 VanDerWaalsContact C-N 3.3Å
123E90.3Very high83.2Confident57 Ų5742.9 Ų42.927%0.26624%0.238SC..  trans-74.1151.1176.8-178-169.5160.800110.8R114 G118 S121 M125 T146R114-E123 IonicContact CZ-OE1 3.71Å; R114-E123 IonicContact CZ-OE2 2.75Å; R114-E123 IonicContact NH1-OE1 3.51Å; R114-E123 IonicContact NH1-OE2 3.63Å; R114-E123 PolarHBondContact NH1-OE2 3.04Å; R114-E123 IonicContact NH2-OE1 3.79Å; R114-E123 PolarHBondContact NH2-OE1 3.17Å; R114-E123 IonicContact NH2-OE2 2.71Å; R114-E123 PolarHBondContact NH2-OE2 2.81Å; G118-E123 PolarHBondContact O-N 3.35Å; S121-E123 VanDerWaalsContact C-N 3.3Å; E123-M125 HydrophobicContact CB-CE 3.5Å; E123-M125 HydrophobicContact CG-CE 3.81Å; E123-M125 WeakPolarHBondContact O-CE 3.39Å; E123-M125 PolarHBondContact O-N 2.91Å; E123-T146 PolarHBondContact OE2-OG1 3.01Å
124N87Confident80.6Confident103 Ų10350.1 Ų50.155%0.55127%0.272SS*.  trans-68.5122170.6-173.2-6.9000111.3D126N124-D126 VanDerWaalsContact C-N 3.29Å; N124-D126 PolarHBondContact ND2-OD2 3.14Å; N124-D126 PolarHBondContact O-N 2.9Å; N124-D126 PolarHBondContact OD1-N 3.05Å; N124-D126 VanDerWaalsContact OD1-N 3.08Å; N124-D126 PolarHBondContact OD1-OD1 2.88Å; N124-D126 PolarHBondContact OD1-OD2 3.42Å
125M86.4Confident78.3Confident14 Ų1451 Ų517%0.06928%0.278CS..G310 helixtrans-87.114.4-176-63.9-64.6103.900114.3E123 W127 L128 I191E123-M125 HydrophobicContact CB-CE 3.5Å; E123-M125 HydrophobicContact CG-CE 3.81Å; E123-M125 WeakPolarHBondContact O-CE 3.39Å; E123-M125 PolarHBondContact O-N 2.91Å; M125-W127 PolarHBondContact O-N 3.43Å; M125-W127 VanDerWaalsContact O-N 3.1Å; M125-W127 HydrophobicContact SD-CZ2 4.43Å; M125-L128 HydrophobicContact CB-CD1 4.22Å; M125-L128 WeakPolarHBondContact O-CB 3.42Å; M125-L128 PolarHBondContact O-N 3.32Å; M125-I191 HydrophobicContact CG-CG2 3.84Å; M125-I191 HydrophobicContact SD-CG2 4.5Å
126D81.9Confident75.6Confident87 Ų8755.6 Ų55.647%0.46530%0.302SS..G310 helixtrans-56.5-26.1179.9-75.3-21.4000113.9N124 L128 N129N124-D126 VanDerWaalsContact C-N 3.29Å; N124-D126 PolarHBondContact ND2-OD2 3.14Å; N124-D126 PolarHBondContact O-N 2.9Å; N124-D126 PolarHBondContact OD1-N 3.05Å; N124-D126 VanDerWaalsContact OD1-N 3.08Å; N124-D126 PolarHBondContact OD1-OD1 2.88Å; N124-D126 PolarHBondContact OD1-OD2 3.42Å; D126-L128 PolarHBondContact O-N 3.41Å; D126-L128 VanDerWaalsContact O-N 3.13Å; D126-N129 PolarHBondContact O-N 3.15Å
127W80Confident73.1Confident45 Ų4557.1 Ų57.117%0.1731%0.31CS..G310 helixtrans-61.4-18.7175.567.6-94.1000113.7I111 R114 M125 N129I111-W127 HydrophobicContact CD1-CH2 3.57Å; I111-W127 HydrophobicContact CD1-CZ3 3.54Å; R114-W127 HydrophobicContact CB-CH2 4.37Å; R114-W127 HydrophobicContact CG-CH2 3.71Å; R114-W127 HydrophobicContact CG-CZ2 3.71Å; M125-W127 PolarHBondContact O-N 3.43Å; M125-W127 VanDerWaalsContact O-N 3.1Å; M125-W127 HydrophobicContact SD-CZ2 4.43Å; W127-N129 VanDerWaalsContact C-N 3.34Å
128L80.3Confident70.2Confident5 Ų560.2 Ų60.23%0.02633%0.332CS..G310 helixtrans-75.9-20.3172.4-69171.5000113I111 M125 D126 Y184 L187 Y188 I191I111-L128 HydrophobicContact CD1-CD2 4.12Å; M125-L128 HydrophobicContact CB-CD1 4.22Å; M125-L128 WeakPolarHBondContact O-CB 3.42Å; M125-L128 PolarHBondContact O-N 3.32Å; D126-L128 PolarHBondContact O-N 3.41Å; D126-L128 VanDerWaalsContact O-N 3.13Å; L128-Y184 HydrophobicContact CD2-CD1 4.4Å; L128-Y184 HydrophobicContact CD2-CG 4.25Å; L128-Y184 WeakPolarHBondContact O-CB 3.3Å; L128-L187 HydrophobicContact CD1-CG 4.24Å; L128-L187 HydrophobicContact CD2-CD2 3.9Å; L128-L187 HydrophobicContact CD2-CG 4.22Å; L128-Y188 HydrophobicContact CB-CD2 4.17Å; L128-I191 HydrophobicContact CD1-CG1 4.44Å
129N72Confident67.7Low77 Ų7762.5 Ų62.541%0.41235%0.347SS..THydrogen-bonded Turntrans-89.2-19.2179.7-78.2-30.2000113.2D126 W127 S131 Y188D126-N129 PolarHBondContact O-N 3.15Å; W127-N129 VanDerWaalsContact C-N 3.34Å; N129-S131 PolarHBondContact O-N 3.35Å; N129-S131 VanDerWaalsContact O-N 3.09Å; N129-Y188 VanDerWaalsContact ND2-CE2 3.28Å; N129-Y188 WeakPolarHBondContact ND2-CE2 3.34Å; N129-Y188 WeakPolarHBondContact OD1-CD1 3.46Å
130D65.6Low64.9Low62 Ų6265.4 Ų65.433%0.33237%0.371SS..  trans-80.294.9-179.1-170-3.4000111N132 H133D130-N132 PolarHBondContact O-N 3.27Å; D130-N132 VanDerWaalsContact O-N 3.13Å; D130-N132 WeakPolarHBondContact OD1-CB 3.5Å; D130-N132 PolarHBondContact OD1-N 3.44Å; D130-H133 HydrophobicContact CB-CB 4.14Å; D130-H133 PolarHBondContact O-N 3.03Å; D130-H133 PolarHBondContact OD1-N 2.91Å; D130-H133 IonicContact OD2-CE1 3.64Å; D130-H133 IonicContact OD2-CG 3.5Å; D130-H133 IonicContact OD2-ND1 3.38Å; D130-H133 PolarHBondContact OD2-ND1 3.03Å
131S52.9Low62Low104 Ų10471.7 Ų71.773%0.72741%0.405SS*.THydrogen-bonded Turntrans-61.1-14.4174.637.70000114.3N129N129-S131 PolarHBondContact O-N 3.35Å; N129-S131 VanDerWaalsContact O-N 3.09Å
132N50.4Low59.4Low145 Ų14573.7 Ų73.778%0.77542%0.415SS*.THydrogen-bonded Turntrans-95.7-17.8178.3-67.6-32.1000113.4D130 Q134D130-N132 PolarHBondContact O-N 3.27Å; D130-N132 VanDerWaalsContact O-N 3.13Å; D130-N132 WeakPolarHBondContact OD1-CB 3.5Å; D130-N132 PolarHBondContact OD1-N 3.44Å; N132-Q134 VanDerWaalsContact C-N 3.32Å; N132-Q134 PolarHBondContact O-N 2.9Å
133H44.4Very low57.1Low121 Ų12172.4 Ų72.456%0.5640%0.395SS*.  trans-75.389.8174.3-104.577.8000109.5D130 V135D130-H133 HydrophobicContact CB-CB 4.14Å; D130-H133 PolarHBondContact O-N 3.03Å; D130-H133 PolarHBondContact OD1-N 2.91Å; D130-H133 IonicContact OD2-CE1 3.64Å; D130-H133 IonicContact OD2-CG 3.5Å; D130-H133 IonicContact OD2-ND1 3.38Å; D130-H133 PolarHBondContact OD2-ND1 3.03Å; H133-V135 HydrophobicContact CB-CG2 4.23Å; H133-V135 PolarHBondContact O-N 3.24Å
134Q42.8Very low54.8Low153 Ų15372.4 Ų72.472%0.71540%0.401SS*.  trans-67.372.8161.4-160.2176.738.200107.4N132 D136N132-Q134 VanDerWaalsContact C-N 3.32Å; N132-Q134 PolarHBondContact O-N 2.9Å; Q134-D136 PolarHBondContact O-N 3.18Å
135V44.9Very low52.5Low23 Ų2373.4 Ų73.414%0.13940%0.403CS..  trans-54.8114.9177.8179.80000106.3H133 L137 L142 R180H133-V135 HydrophobicContact CB-CG2 4.23Å; H133-V135 PolarHBondContact O-N 3.24Å; V135-L137 HydrophobicContact CB-CD2 4.36Å; V135-L137 HydrophobicContact CB-CG 4.39Å; V135-L137 HydrophobicContact CG1-CD2 3.71Å; V135-L137 HydrophobicContact CG1-CG 4.08Å; V135-L137 PolarHBondContact O-N 2.74Å; V135-L142 HydrophobicContact CG1-CD1 4.31Å; V135-L142 HydrophobicContact CG1-CD2 3.68Å; V135-R180 PolarHBondContact O-NH1 2.89Å
136D36.4Very low50.2Low95 Ų9573.6 Ų73.651%0.50840%0.404SS..  trans-71.589.3169.9-147.611.5000107Q134 S138 R180Q134-D136 PolarHBondContact O-N 3.18Å; D136-S138 VanDerWaalsContact CG-OG 3.26Å; D136-S138 PolarHBondContact O-N 3.43Å; D136-S138 PolarHBondContact OD2-OG 3.42Å; D136-R180 IonicContact OD1-CZ 3.21Å; D136-R180 VanDerWaalsContact OD1-CZ 3.32Å; D136-R180 IonicContact OD1-NH1 3.87Å; D136-R180 PolarHBondContact OD1-NH1 2.97Å; D136-R180 IonicContact OD1-NH2 3.33Å; D136-R180 PolarHBondContact OD1-NH2 3.36Å
137L44.6Very low48.2Very low32 Ų3272.8 Ų72.817%0.16840%0.403CS..  trans-66.110.2178-65.8167.8000111.7V135 C139V135-L137 HydrophobicContact CB-CD2 4.36Å; V135-L137 HydrophobicContact CB-CG 4.39Å; V135-L137 HydrophobicContact CG1-CD2 3.71Å; V135-L137 HydrophobicContact CG1-CG 4.08Å; V135-L137 PolarHBondContact O-N 2.74Å; L137-C139 PolarHBondContact O-N 3.1Å
138S36.9Very low45.8Very low66 Ų6676.5 Ų76.546%0.46243%0.426SS..SBendtrans-73.389.7170.163.50000111.2D136 S140D136-S138 VanDerWaalsContact CG-OG 3.26Å; D136-S138 PolarHBondContact O-N 3.43Å; D136-S138 PolarHBondContact OD2-OG 3.42Å; S138-S140 PolarHBondContact O-N 3.12Å
139C42.5Very low43.3Very low48 Ų4879 Ų7932%0.32445%0.453SS..THydrogen-bonded Turn70.5-6.8128.4-64.50000122.3L137 N220L137-C139 PolarHBondContact O-N 3.1Å; C139-N220 CarbonylContact C-O 3.59Å; C139-N220 VanDerWaalsContact C-O 3.25Å; C139-N220 VanDerWaalsContact CA-O 3.29Å; C139-N220 WeakPolarHBondContact CA-O 3.45Å; C139-N220 HydrophobicContact CB-CB 4.14Å
140S36.9Very low41.1Very low84 Ų8482.1 Ų82.159%0.58747%0.47SS*.THydrogen-bonded Turntrans-152.9-47175.8-61.20000115.6S138 L142S138-S140 PolarHBondContact O-N 3.12Å; S140-L142 VanDerWaalsContact C-N 3.35Å; S140-L142 PolarHBondContact O-N 3.01Å
141D36Very low39.2Very low132 Ų13286.6 Ų86.671%0.70649%0.493SS*.THydrogen-bonded Turntrans-80.5-11-160.8-63.2-32.1000115.5S144D141-S144 PolarHBondContact O-OG 2.81Å
142L42.2Very low37.8Very low46 Ų4688.3 Ų88.324%0.24149%0.494CS..THydrogen-bonded Turntrans-98.1-32.5-177.2-141.383.2000113.5V135 S140 S144 Q145V135-L142 HydrophobicContact CG1-CD1 4.31Å; V135-L142 HydrophobicContact CG1-CD2 3.68Å; S140-L142 VanDerWaalsContact C-N 3.35Å; S140-L142 PolarHBondContact O-N 3.01Å; L142-S144 VanDerWaalsContact C-N 3.26Å; L142-S144 PolarHBondContact O-N 2.97Å; L142-Q145 WeakPolarHBondContact O-CB 3.25Å; L142-Q145 PolarHBondContact O-N 2.89Å
143F44.3Very low36.6Very low22 Ų2290.4 Ų90.410%0.09650%0.498CS..Hα-helixtrans-73.5-21.9178.1-68.4-80.3000111.9I117 Q145 T146 V147 R221I117-F143 HydrophobicContact CD1-CE1 3.92Å; F143-Q145 PolarHBondContact O-N 3.18Å; F143-T146 PolarHBondContact O-N 3.02Å; F143-V147 WeakPolarHBondContact O-CG2 3.33Å; F143-V147 PolarHBondContact O-N 3.35Å; F143-V147 VanDerWaalsContact O-N 3.15Å; F143-R221 WeakPolarHBondContact CD1-O 3.5Å; F143-R221 HydrophobicContact CD2-CB 3.93Å; F143-R221 HydrophobicContact CD2-CG 4.16Å; F143-R221 HydrophobicContact CE1-CB 4.21Å; F143-R221 HydrophobicContact CE2-CB 3.58Å; F143-R221 HydrophobicContact CE2-CG 3.46Å; F143-R221 VanDerWaalsContact CE2-CG 3.46Å; F143-R221 HydrophobicContact CG-CB 4.41Å; F143-R221 WeakPolarHBondContact CG-O 3.47Å; F143-R221 HydrophobicContact CZ-CB 3.73Å; F143-R221 HydrophobicContact CZ-CG 3.78Å
144S42.2Very low35.7Very low56 Ų5695.2 Ų95.239%0.39251%0.513SS..Hα-helixtrans-62.8-29.5169.252.70000112.7D141 L142 N148D141-S144 PolarHBondContact O-OG 2.81Å; L142-S144 VanDerWaalsContact C-N 3.26Å; L142-S144 PolarHBondContact O-N 2.97Å; S144-N148 PolarHBondContact O-N 3.45Å
145Q38.1Very low34.6Very low125 Ų12598.8 Ų98.858%0.58452%0.52SS*.Hα-helixtrans-70.7-43.7176.7-65.3-176.51400112L142 F143 V147 N148 G149L142-Q145 WeakPolarHBondContact O-CB 3.25Å; L142-Q145 PolarHBondContact O-N 2.89Å; F143-Q145 PolarHBondContact O-N 3.18Å; Q145-V147 VanDerWaalsContact C-N 3.3Å; Q145-V147 PolarHBondContact O-N 3.08Å; Q145-N148 PolarHBondContact O-N 3.42Å; Q145-G149 PolarHBondContact O-N 3Å; Q145-G149 VanDerWaalsContact O-N 3.14Å
146T38.3Very low33.6Very low17 Ų17104.6 Ų104.610%0.10455%0.551CS.*Hα-helixtrans-67.8-29.6176.1-46.80000112.3I117 E123 F143 T249I117-T146 HydrophobicContact CG2-CG2 4.33Å; E123-T146 PolarHBondContact OE2-OG1 3.01Å; F143-T146 PolarHBondContact O-N 3.02Å; T146-T249 HydrophobicContact CG2-CG2 4.34Å
147V40Very low33Very low70 Ų70103.8 Ų103.842%0.42457%0.565SS.*Hα-helixtrans-75.9-28.3179.3172.50000112.5F143 Q145F143-V147 WeakPolarHBondContact O-CG2 3.33Å; F143-V147 PolarHBondContact O-N 3.35Å; F143-V147 VanDerWaalsContact O-N 3.15Å; Q145-V147 VanDerWaalsContact C-N 3.3Å; Q145-V147 PolarHBondContact O-N 3.08Å
148N30.8Very low32Very low123 Ų123111.5 Ų111.566%0.65860%0.6SS**Hα-helixtrans-114.37.4-174.4-67.6-30.3000115.1S144 Q145 N150S144-N148 PolarHBondContact O-N 3.45Å; Q145-N148 PolarHBondContact O-N 3.42Å; N148-N150 PolarHBondContact O-N 3.25Å
149G28Very low31.3Very low58 Ų58117.1 Ų117.160%0.59862%0.619SS**  trans-69.820.9-169.900000118.4Q145Q145-G149 PolarHBondContact O-N 3Å; Q145-G149 VanDerWaalsContact O-N 3.14Å
150N25.2Very low30.4Very low143 Ų143121 Ų12177%0.76565%0.645SS**  trans-148.668.9170.3-91.6-36.9000111.4N148N148-N150 PolarHBondContact O-N 3.25Å
151L25.6Very low29.8Very low156 Ų156127.5 Ų127.582%0.81766%0.658SS**SBendtrans-143.798.6147.7-140.491.6000107.9
152D23.7Very low29.2Very low139 Ų139126.8 Ų126.874%0.74366%0.663SS**  trans52.7106.6160.4-56.8-27.6000119.3Y154D152-Y154 PolarHBondContact O-N 2.83Å
153H23.9Very low28.4Very low189 Ų189132.3 Ų132.388%0.87569%0.693SS**SBendtrans-42.1136.6141-86.6-83.7000110.7
154Y25.7Very low27.6Very low222 Ų222135.6 Ų135.687%0.87172%0.719SS**  trans6883.8167.5-100.7-97.2000116.4D152D152-Y154 PolarHBondContact O-N 2.83Å
155R21.1Very low26.9Very low228 Ų228140.5 Ų140.586%0.8674%0.74SS**  trans-144.5101.3142-117.8173.3-175.9166.21.5112.2
156N23.1Very low26.4Very low146 Ų146140.2 Ų140.278%0.78175%0.747SS**  trans52.8112.9149.4-63.5-15.2000118.1
157G23.1Very low25.7Very low78 Ų78144.8 Ų144.880%0.80478%0.78SS**  trans-59.8143.2164.500000112.1
158E24.6Very low25Very low194 Ų194147 Ų14791%0.90779%0.793SS**  trans-131.5130.3149-85.3-175.1156.100108
159H22.6Very low24.6Very low184 Ų184150 Ų15085%0.85280%0.804SS**  trans-54.3131.6-178.9-80.1-103.7000112.7
160C22.6Very low24.3Very low130 Ų130152.9 Ų152.988%0.87881%0.813SS**  trans-126.8132.4149.5-79.70000109.1
161Y25.3Very low24.1Very low220 Ų220150.4 Ų150.486%0.86381%0.807SS**  trans-52.2138.7-160.1-83.5-104.9000116.5D163Y161-D163 PolarHBondContact O-N 3.14Å
162S21.9Very low24.1Very low117 Ų117150 Ų15082%0.81881%0.806SS**  trans-58.6116.1151.7-43.50000109.5
163D25.8Very low24.4Very low162 Ų162150.1 Ų150.187%0.86681%0.811SS**  trans-113.2132.3152.3-97.4-27.8000109.5Y161Y161-D163 PolarHBondContact O-N 3.14Å
164S27.9Very low24.5Very low91 Ų91146.4 Ų146.464%0.63681%0.807SS**  trans-62.3142.6-165.5460000116V166S164-V166 PolarHBondContact O-N 2.73Å
165N27.6Very low24.8Very low158 Ų158141 Ų14185%0.84580%0.799SS**  trans23.191.2132.1-61.7-14.7000116.3
166V27.5Very low25.5Very low119 Ų119135 Ų13572%0.72179%0.792SS**  trans-121.192.4148.8-178.10000107.1S164 T168S164-V166 PolarHBondContact O-N 2.73Å; V166-T168 VanDerWaalsContact C-N 3.28Å; V166-T168 PolarHBondContact O-N 3.13Å
167S23.1Very low26.1Very low113 Ų113131.6 Ų131.679%0.7978%0.777SS**  trans-64.790.1161.243.20000108.3E169S167-E169 PolarHBondContact O-N 3.46Å
168T26.6Very low26.9Very low116 Ų116133.2 Ų133.271%0.71277%0.766SS**  trans-81.992.3168.3-28.70000107.6V166 C170V166-T168 VanDerWaalsContact C-N 3.28Å; V166-T168 PolarHBondContact O-N 3.13Å; T168-C170 PolarHBondContact O-N 3.03Å
169E20.9Very low27.9Very low188 Ų188131.7 Ų131.788%0.87975%0.752SS**  trans-59.4101.3160.3-78178153.600108S167S167-E169 PolarHBondContact O-N 3.46Å
170C23.3Very low29.5Very low118 Ų118126.6 Ų126.680%0.79773%0.725SS**  trans-108.687.4165.9-1560000107.5T168T168-C170 PolarHBondContact O-N 3.03Å
171S21Very low31.3Very low90 Ų90121.4 Ų121.463%0.62969%0.689SS**  trans-66.8145.3160.146.10000110.2
172D24.7Very low32.9Very low148 Ų148119.1 Ų119.179%0.79168%0.684SS**  trans76.683.1164.4-54-29.3000117.8
173T30Very low35.2Very low141 Ų141117.2 Ų117.287%0.86567%0.665SS**SBend-161.4122.7126.613.90000109.5
174S26.7Very low37.8Very low112 Ų112111.1 Ų111.178%0.78363%0.63SS**  trans-18.1123.4178.6-175.50000115.4S176S174-S176 PolarHBondContact O-N 3.07Å
175P31.6Very low40.5Very low108 Ų108113.1 Ų113.170%0.70163%0.627SS**  trans-64.4107.1178.126.1-30000108.3T177P175-T177 PolarHBondContact O-N 3.41Å
176S35.3Very low43.3Very low101 Ų101107 Ų10771%0.70660%0.596SS**  trans-60.396.9151.845.60000104.9S174 I178S174-S176 PolarHBondContact O-N 3.07Å; S176-I178 VanDerWaalsContact C-N 3.27Å; S176-I178 PolarHBondContact O-N 2.8Å
177T35.5Very low46.4Very low76 Ų76101.3 Ų101.347%0.46656%0.562SS.*  trans-55.398.5173-53.20000106.7P175 W179P175-T177 PolarHBondContact O-N 3.41Å; T177-W179 HydrophobicContact CG2-CD2 3.56Å; T177-W179 VanDerWaalsContact CG2-CE2 3.46Å; T177-W179 HydrophobicContact CG2-CE3 3.8Å; T177-W179 HydrophobicContact CG2-CG 4.14Å; T177-W179 HydrophobicContact CG2-CH2 3.91Å; T177-W179 HydrophobicContact CG2-CZ2 3.66Å; T177-W179 HydrophobicContact CG2-CZ3 3.97Å; T177-W179 PolarHBondContact O-N 3.29Å; T177-W179 PolarHBondContact O-NE1 3.1Å
178I41.1Very low49.5Very low112 Ų11298.8 Ų98.857%0.57454%0.535SS*.  trans-70.391.5171.4-57179.9000103.9S176 R180S176-I178 VanDerWaalsContact C-N 3.27Å; S176-I178 PolarHBondContact O-N 2.8Å; I178-R180 HydrophobicContact CG2-CG 3.62Å; I178-R180 PolarHBondContact O-N 3.11Å
179W46Very low52.6Low162 Ų16296.6 Ų96.661%0.61452%0.519SS*.  trans-6678.6174.2-58.1101.7000108.5I6 T177I6-W179 HydrophobicContact CD1-CB 4.46Å; T177-W179 HydrophobicContact CG2-CD2 3.56Å; T177-W179 VanDerWaalsContact CG2-CE2 3.46Å; T177-W179 HydrophobicContact CG2-CE3 3.8Å; T177-W179 HydrophobicContact CG2-CG 4.14Å; T177-W179 HydrophobicContact CG2-CH2 3.91Å; T177-W179 HydrophobicContact CG2-CZ2 3.66Å; T177-W179 HydrophobicContact CG2-CZ3 3.97Å; T177-W179 PolarHBondContact O-N 3.29Å; T177-W179 PolarHBondContact O-NE1 3.1Å
180R55.3Low56Low76 Ų7688.4 Ų88.429%0.28748%0.482SS..  trans-81.8146.2168.3-62.3-161.3-178.8177.10.4108.6V135 D136 I178 K182V135-R180 PolarHBondContact O-NH1 2.89Å; D136-R180 IonicContact OD1-CZ 3.21Å; D136-R180 VanDerWaalsContact OD1-CZ 3.32Å; D136-R180 IonicContact OD1-NH1 3.87Å; D136-R180 PolarHBondContact OD1-NH1 2.97Å; D136-R180 IonicContact OD1-NH2 3.33Å; D136-R180 PolarHBondContact OD1-NH2 3.36Å; I178-R180 HydrophobicContact CG2-CG 3.62Å; I178-R180 PolarHBondContact O-N 3.11Å; R180-K182 PolarHBondContact O-N 3.37Å
181V59.9Low59.3Low22 Ų2283.1 Ų83.113%0.13345%0.446CS..  trans-52.6129.8167.1-174.80000107.8L9 F11 Y184L9-V181 HydrophobicContact CD2-CB 4.4Å; L9-V181 HydrophobicContact CD2-CG1 4.03Å; L9-V181 HydrophobicContact CD2-CG2 3.44Å; L9-V181 VanDerWaalsContact CD2-CG2 3.44Å; F11-V181 HydrophobicContact CE2-CG1 3.92Å; F11-V181 HydrophobicContact CZ-CG1 4.13Å; V181-Y184 HydrophobicContact CB-CE1 3.65Å; V181-Y184 HydrophobicContact CG1-CD1 3.8Å; V181-Y184 HydrophobicContact CG1-CE1 3.35Å; V181-Y184 PolarHBondContact O-OH 3.22Å
182K59.5Low62.6Low172 Ų17282.6 Ų82.675%0.74844%0.439SS*.  trans-119.3-27.5-179.1-71.8-173.9179.5-175.60113.1R180R180-K182 PolarHBondContact O-N 3.37Å
183D69.2Low65.9Low77 Ų7783 Ų8341%0.41244%0.436SS..  trans-97.9102.4175.8-168.5-7.8000109.8K185D183-K185 WeakPolarHBondContact OD1-CB 3.43Å; D183-K185 PolarHBondContact OD1-N 3.36Å
184Y80.4Confident68.9Low33 Ų3377.7 Ų77.713%0.12940%0.402CS..  trans-102.16.3174.7-58.5-68.6000112F11 I111 L128 V181 S186 L187 Y188F11-Y184 HydrophobicContact CE2-CD1 4.45Å; I111-Y184 HydrophobicContact CB-CE1 4.35Å; I111-Y184 HydrophobicContact CD1-CD1 3.73Å; I111-Y184 HydrophobicContact CD1-CE1 3.39Å; I111-Y184 HydrophobicContact CG1-CD1 3.86Å; I111-Y184 HydrophobicContact CG1-CE1 3.58Å; L128-Y184 HydrophobicContact CD2-CD1 4.4Å; L128-Y184 HydrophobicContact CD2-CG 4.25Å; L128-Y184 WeakPolarHBondContact O-CB 3.3Å; V181-Y184 HydrophobicContact CB-CE1 3.65Å; V181-Y184 HydrophobicContact CG1-CD1 3.8Å; V181-Y184 HydrophobicContact CG1-CE1 3.35Å; V181-Y184 PolarHBondContact O-OH 3.22Å; Y184-S186 VanDerWaalsContact C-N 3.34Å; Y184-S186 PolarHBondContact O-N 2.87Å; Y184-L187 HydrophobicContact CD1-CD2 4.41Å; Y184-L187 CarbonylContact O-C 3.52Å; Y184-L187 WeakPolarHBondContact O-CA 3.4Å; Y184-L187 WeakPolarHBondContact O-CB 3.19Å; Y184-L187 PolarHBondContact O-N 3.33Å; Y184-Y188 PolarHBondContact O-N 2.93Å
185K84.9Confident72Confident134 Ų13476.5 Ų76.558%0.58339%0.391SS*.Hα-helixtrans-62.8-41-175.6-172.3175.4-177.1175.70111.9D183 L187 Y188 N189D183-K185 WeakPolarHBondContact OD1-CB 3.43Å; D183-K185 PolarHBondContact OD1-N 3.36Å; K185-L187 PolarHBondContact O-N 3.28Å; K185-Y188 PolarHBondContact O-N 3.15Å; K185-N189 WeakPolarHBondContact O-CB 3.5Å; K185-N189 PolarHBondContact O-N 3.28Å; K185-N189 PolarHBondContact O-ND2 3.48Å
186S87.7Confident74.9Confident29 Ų2979.6 Ų79.620%0.20340%0.396CS..Hα-helixtrans-62.3-34.9174.262.80000111.8F11 Y184 L190F11-S186 PolarHBondContact N-OG 3.08Å; F11-S186 WeakPolarHBondContact O-CB 3.46Å; Y184-S186 VanDerWaalsContact C-N 3.34Å; Y184-S186 PolarHBondContact O-N 2.87Å; S186-L190 VanDerWaalsContact O-CB 3.3Å; S186-L190 WeakPolarHBondContact O-CB 3Å; S186-L190 PolarHBondContact O-N 2.84Å
187L90.8Very high77.7Confident0 Ų076 Ų760%037%0.37CS..Hα-helixtrans-71.8-44.5178-172.752.8000111.4F11 I51 I111 S115 L128 Y184 K185 N189 L190 I191F11-L187 HydrophobicContact CB-CB 3.92Å; F11-L187 HydrophobicContact CB-CD1 3.89Å; F11-L187 HydrophobicContact CB-CG 4.43Å; F11-L187 HydrophobicContact CD1-CD1 4.13Å; F11-L187 HydrophobicContact CD1-CD2 4.29Å; F11-L187 HydrophobicContact CD2-CB 3.71Å; F11-L187 HydrophobicContact CD2-CD2 4.24Å; F11-L187 HydrophobicContact CD2-CG 4.43Å; F11-L187 HydrophobicContact CE1-CD2 4.33Å; F11-L187 HydrophobicContact CE2-CB 4.39Å; F11-L187 HydrophobicContact CE2-CD2 4.28Å; F11-L187 HydrophobicContact CG-CB 3.85Å; F11-L187 HydrophobicContact CG-CD1 3.98Å; F11-L187 HydrophobicContact CG-CD2 4.23Å; F11-L187 HydrophobicContact CG-CG 4.25Å; F11-L187 HydrophobicContact CZ-CD2 4.33Å; I51-L187 HydrophobicContact CG2-CD1 3.72Å; I111-L187 HydrophobicContact CD1-CD2 4.15Å; I111-L187 HydrophobicContact CG1-CD2 3.45Å; I111-L187 VanDerWaalsContact CG1-CD2 3.45Å; S115-L187 WeakPolarHBondContact OG-CD2 3.36Å; L128-L187 HydrophobicContact CD1-CG 4.24Å; L128-L187 HydrophobicContact CD2-CD2 3.9Å; L128-L187 HydrophobicContact CD2-CG 4.22Å; Y184-L187 HydrophobicContact CD1-CD2 4.41Å; Y184-L187 CarbonylContact O-C 3.52Å; Y184-L187 WeakPolarHBondContact O-CA 3.4Å; Y184-L187 WeakPolarHBondContact O-CB 3.19Å; Y184-L187 PolarHBondContact O-N 3.33Å; K185-L187 PolarHBondContact O-N 3.28Å; L187-N189 PolarHBondContact O-N 2.96Å; L187-L190 HydrophobicContact CD1-CD2 4.44Å; L187-L190 WeakPolarHBondContact O-CB 3.45Å; L187-L190 PolarHBondContact O-N 3.02Å; L187-I191 HydrophobicContact CD1-CD1 4.46Å; L187-I191 HydrophobicContact CD1-CG1 4.13Å; L187-I191 HydrophobicContact CG-CG1 4.44Å; L187-I191 VanDerWaalsContact O-CG1 3.27Å; L187-I191 WeakPolarHBondContact O-CG1 3.45Å; L187-I191 PolarHBondContact O-N 2.75Å
188Y90.1Very high80.6Confident59 Ų5976.8 Ų76.823%0.23138%0.378CS..Hα-helixtrans-57.7-48.2173179.1-97.3000111.5L128 N129 Y184 K185 L190 I191 T192L128-Y188 HydrophobicContact CB-CD2 4.17Å; N129-Y188 VanDerWaalsContact ND2-CE2 3.28Å; N129-Y188 WeakPolarHBondContact ND2-CE2 3.34Å; N129-Y188 WeakPolarHBondContact OD1-CD1 3.46Å; Y184-Y188 PolarHBondContact O-N 2.93Å; K185-Y188 PolarHBondContact O-N 3.15Å; Y188-L190 VanDerWaalsContact C-N 3.29Å; Y188-L190 PolarHBondContact O-N 3.38Å; Y188-I191 PolarHBondContact O-N 2.99Å; Y188-T192 HydrophobicContact CD1-CG2 4.3Å; Y188-T192 HydrophobicContact CD2-CG2 4.32Å; Y188-T192 HydrophobicContact CE1-CG2 3.9Å; Y188-T192 HydrophobicContact CE2-CG2 3.94Å; Y188-T192 HydrophobicContact CG-CG2 4.5Å; Y188-T192 WeakPolarHBondContact O-CB 3.49Å; Y188-T192 WeakPolarHBondContact O-CG2 3.33Å; Y188-T192 PolarHBondContact O-N 3.38Å; Y188-T192 PolarHBondContact O-OG1 3.38Å
189N90.9Very high83.3Confident70 Ų7074.7 Ų74.737%0.37437%0.372SS..Hα-helixtrans-60.5-38.7176.8-69.9-20.9000112.2K185 L187 T192 Q193K185-N189 WeakPolarHBondContact O-CB 3.5Å; K185-N189 PolarHBondContact O-N 3.28Å; K185-N189 PolarHBondContact O-ND2 3.48Å; L187-N189 PolarHBondContact O-N 2.96Å; N189-T192 WeakPolarHBondContact CA-OG1 3.47Å; N189-T192 PolarHBondContact O-OG1 3.27Å; N189-T192 VanDerWaalsContact O-OG1 3.11Å; N189-Q193 WeakPolarHBondContact O-CG 3.17Å; N189-Q193 PolarHBondContact O-N 3.18Å
190L92.8Very high85.7Confident16 Ų1667 Ų678%0.08434%0.343CS..Hα-helixtrans-65.8-52176.1175.864000111.2I51 S186 L187 Y188 T192 Q193 L194I51-L190 HydrophobicContact CB-CD2 4.37Å; I51-L190 HydrophobicContact CG1-CD2 4.36Å; I51-L190 HydrophobicContact CG2-CD2 3.85Å; S186-L190 VanDerWaalsContact O-CB 3.3Å; S186-L190 WeakPolarHBondContact O-CB 3Å; S186-L190 PolarHBondContact O-N 2.84Å; L187-L190 HydrophobicContact CD1-CD2 4.44Å; L187-L190 WeakPolarHBondContact O-CB 3.45Å; L187-L190 PolarHBondContact O-N 3.02Å; Y188-L190 VanDerWaalsContact C-N 3.29Å; Y188-L190 PolarHBondContact O-N 3.38Å; L190-T192 VanDerWaalsContact C-N 3.3Å; L190-T192 PolarHBondContact O-N 2.84Å; L190-Q193 PolarHBondContact O-N 2.84Å; L190-Q193 VanDerWaalsContact O-N 3.1Å; L190-L194 PolarHBondContact O-N 2.72Å
191I92.7Very high87.7Confident8 Ų868.5 Ų68.54%0.04135%0.349CS..Hα-helixtrans-61.8-38.9-176.8-65.4-65.5000111.4I51 Y119 M125 L128 L187 Y188 Q193 L194I51-I191 HydrophobicContact CD1-CD1 3.75Å; Y119-I191 HydrophobicContact CD2-CG2 4.09Å; Y119-I191 HydrophobicContact CG-CG2 4.38Å; M125-I191 HydrophobicContact CG-CG2 3.84Å; M125-I191 HydrophobicContact SD-CG2 4.5Å; L128-I191 HydrophobicContact CD1-CG1 4.44Å; L187-I191 HydrophobicContact CD1-CD1 4.46Å; L187-I191 HydrophobicContact CD1-CG1 4.13Å; L187-I191 HydrophobicContact CG-CG1 4.44Å; L187-I191 VanDerWaalsContact O-CG1 3.27Å; L187-I191 WeakPolarHBondContact O-CG1 3.45Å; L187-I191 PolarHBondContact O-N 2.75Å; Y188-I191 PolarHBondContact O-N 2.99Å; I191-Q193 VanDerWaalsContact C-N 3.25Å; I191-Q193 PolarHBondContact O-N 2.89Å; I191-L194 HydrophobicContact CD1-CD1 3.87Å; I191-L194 WeakPolarHBondContact O-CB 3.35Å; I191-L194 PolarHBondContact O-N 2.77Å
192T90.4Very high89.5Confident79 Ų7967.5 Ų67.549%0.48534%0.342SS..Hα-helixtrans-71.1-17.117850.50000114.1Y188 N189 L190Y188-T192 HydrophobicContact CD1-CG2 4.3Å; Y188-T192 HydrophobicContact CD2-CG2 4.32Å; Y188-T192 HydrophobicContact CE1-CG2 3.9Å; Y188-T192 HydrophobicContact CE2-CG2 3.94Å; Y188-T192 HydrophobicContact CG-CG2 4.5Å; Y188-T192 WeakPolarHBondContact O-CB 3.49Å; Y188-T192 WeakPolarHBondContact O-CG2 3.33Å; Y188-T192 PolarHBondContact O-N 3.38Å; Y188-T192 PolarHBondContact O-OG1 3.38Å; N189-T192 WeakPolarHBondContact CA-OG1 3.47Å; N189-T192 PolarHBondContact O-OG1 3.27Å; N189-T192 VanDerWaalsContact O-OG1 3.11Å; L190-T192 VanDerWaalsContact C-N 3.3Å; L190-T192 PolarHBondContact O-N 2.84Å
193Q92.3Very high91.4Very high156 Ų15659.3 Ų59.373%0.72931%0.307SS*.Hα-helixtrans-93.3-9.9175.1-71.6172.411.600113.4N189 L190 I191N189-Q193 WeakPolarHBondContact O-CG 3.17Å; N189-Q193 PolarHBondContact O-N 3.18Å; L190-Q193 PolarHBondContact O-N 2.84Å; L190-Q193 VanDerWaalsContact O-N 3.1Å; I191-Q193 VanDerWaalsContact C-N 3.25Å; I191-Q193 PolarHBondContact O-N 2.89Å
194L93.4Very high92.7Very high30 Ų3056.1 Ų56.116%0.15729%0.289CS..SBendtrans-66.5149.7176-68.6178.9000110.8I49 Y119 L190 I191I49-L194 HydrophobicContact CG2-CD1 3.72Å; I49-L194 HydrophobicContact CG2-CD2 4Å; Y119-L194 HydrophobicContact CD1-CD1 4.02Å; Y119-L194 HydrophobicContact CD2-CB 4.17Å; Y119-L194 HydrophobicContact CD2-CD1 4Å; Y119-L194 HydrophobicContact CE1-CB 4.46Å; Y119-L194 HydrophobicContact CE1-CD1 3.93Å; Y119-L194 HydrophobicContact CE2-CB 3.39Å; Y119-L194 HydrophobicContact CE2-CD1 3.89Å; Y119-L194 HydrophobicContact CE2-CG 4.3Å; Y119-L194 HydrophobicContact CG-CD1 4.04Å; L190-L194 PolarHBondContact O-N 2.72Å; I191-L194 HydrophobicContact CD1-CD1 3.87Å; I191-L194 WeakPolarHBondContact O-CB 3.35Å; I191-L194 PolarHBondContact O-N 2.77Å
195P92.1Very high93.5Very high86 Ų8654.8 Ų54.856%0.55828%0.284SS*.PPolyproline II helixtrans-60.1146.9179.625.1-34.4000111.5Y119 V197Y119-P195 PolarHBondContact OH-O 2.84Å; P195-V197 PolarHBondContact O-N 2.85Å
196H93Very high94Very high173 Ų17350.1 Ų50.180%0.80126%0.264SS*.PPolyproline II helixtrans-64.1130176.9179.6-79.9000111.2
197V94.6Very high94.4Very high27 Ų2749.1 Ų49.116%0.16426%0.257CS..  trans-119.8140.6174.3-64.70000110.3V67 Y119 P195V67-V197 HydrophobicContact CB-CG1 4.46Å; V67-V197 HydrophobicContact CG2-CB 4.43Å; V67-V197 HydrophobicContact CG2-CG1 4.14Å; Y119-V197 HydrophobicContact CD1-CG2 4.46Å; Y119-V197 HydrophobicContact CE1-CG1 4.42Å; Y119-V197 HydrophobicContact CE1-CG2 3.88Å; Y119-V197 HydrophobicContact CE2-CG2 4.21Å; Y119-V197 WeakPolarHBondContact OH-CG1 3.37Å; P195-V197 PolarHBondContact O-N 2.85Å
198S95.6Very high94.5Very high91 Ų9150.6 Ų50.664%0.63626%0.264SS*.PPolyproline II helixtrans-66.3137.8171.1-63.50000109.8V200S198-V200 PolarHBondContact O-N 3.39Å
199P97.2Very high94.6Very high68 Ų6849.2 Ų49.244%0.44226%0.26SS..PPolyproline II helixtrans-51.5121.6179.2-30.436.2000112.8V120 S121 N250V120-P199 WeakPolarHBondContact O-CA 3.44Å; S121-P199 WeakPolarHBondContact O-CB 3.48Å; P199-N250 WeakPolarHBondContact CB-ND2 3.5Å
200V97.9Very high94.7Very high0 Ų049.9 Ų49.90%027%0.27CS..PPolyproline II helixtrans-77.3156.8-179.6-56.80000111.5V67 G90 A92 V120 S198 V203 T249 N250V67-V200 HydrophobicContact CG1-CG1 3.77Å; V67-V200 HydrophobicContact CG2-CG1 4.43Å; G90-V200 WeakPolarHBondContact O-CA 3.37Å; G90-V200 WeakPolarHBondContact O-CB 3.32Å; A92-V200 HydrophobicContact CB-CG1 4.27Å; A92-V200 HydrophobicContact CB-CG2 4.16Å; V120-V200 HydrophobicContact CB-CG1 4.32Å; V120-V200 HydrophobicContact CB-CG2 4.01Å; V120-V200 HydrophobicContact CG2-CG2 3.77Å; V120-V200 WeakPolarHBondContact O-CG2 3.38Å; V120-V200 PolarHBondContact O-N 3.05Å; S198-V200 PolarHBondContact O-N 3.39Å; V200-V203 HydrophobicContact CG2-CG2 4.04Å; V200-T249 PolarHBondContact O-OG1 3.22Å; V200-N250 PolarHBondContact O-ND2 3.27Å
201R97.4Very high94.7Very high109 Ų10952.2 Ų52.241%0.41128%0.283SS..SBendtrans-94.6-13.8175.3-59.5-64.9-176.6174.5-0.9113.2L81 F85 T89 G90 T249 N250 G252L81-R201 HydrophobicContact CD1-CB 3.96Å; L81-R201 HydrophobicContact CD2-CB 4.06Å; F85-R201 HydrophobicContact CD1-CG 4.33Å; F85-R201 HydrophobicContact CE1-CB 4.46Å; F85-R201 HydrophobicContact CE1-CG 4.09Å; T89-R201 HydrophobicContact CG2-CB 3.75Å; T89-R201 HydrophobicContact CG2-CG 3.39Å; G90-R201 PolarHBondContact O-N 3.44Å; R201-T249 CarbonylContact C-O 3.52Å; R201-T249 VanDerWaalsContact CA-O 3.29Å; R201-T249 WeakPolarHBondContact CA-O 3.47Å; R201-T249 PolarHBondContact O-N 2.85Å; R201-N250 WeakPolarHBondContact CD-O 3.44Å; R201-N250 PolarHBondContact NH1-O 3.01Å; R201-G252 WeakPolarHBondContact O-CA 3.4Å
202A97.1Very high94.7Very high0 Ų053.2 Ų53.20%029%0.288CS..EExtended strand (participates in β ladder)trans-153.2145.8176.700000111.1L81 V91 A92 V246 L247L81-A202 HydrophobicContact CD2-CB 4.02Å; L81-A202 HydrophobicContact CG-CB 4.3Å; V91-A202 CarbonylContact C-O 3.59Å; V91-A202 WeakPolarHBondContact CA-O 3.42Å; V91-A202 HydrophobicContact CG1-CB 4.17Å; A92-A202 PolarHBondContact N-O 2.94Å; A202-V246 HydrophobicContact CB-CG2 3.89Å; A202-L247 CarbonylContact C-O 3.53Å; A202-L247 WeakPolarHBondContact CA-O 3.41Å
203V98.1Very high94.8Very high0 Ų056 Ų560%030%0.295CS..EExtended strand (participates in β ladder)trans-114.9128.9166.3-174.60000107.1A92 I94 F116 I117 V120 V200 F223 V246 L247 T249A92-V203 HydrophobicContact CB-CG1 4.31Å; A92-V203 HydrophobicContact CB-CG2 4.21Å; A92-V203 CarbonylContact O-C 3.58Å; A92-V203 VanDerWaalsContact O-CA 3.31Å; A92-V203 WeakPolarHBondContact O-CA 3.29Å; I94-V203 HydrophobicContact CD1-CG1 3.77Å; I94-V203 HydrophobicContact CG1-CG1 4.01Å; F116-V203 HydrophobicContact CE1-CG1 4.23Å; I117-V203 HydrophobicContact CG1-CG1 4.38Å; I117-V203 HydrophobicContact CG1-CG2 4.37Å; V120-V203 HydrophobicContact CG2-CG2 3.68Å; V200-V203 HydrophobicContact CG2-CG2 4.04Å; V203-F223 HydrophobicContact CG1-CE1 4.46Å; V203-F223 HydrophobicContact CG1-CZ 4.4Å; V203-V246 CarbonylContact O-C 3.46Å; V203-V246 WeakPolarHBondContact O-CA 3.46Å; V203-L247 PolarHBondContact N-O 2.89Å; V203-L247 PolarHBondContact O-N 2.93Å; V203-T249 HydrophobicContact CG2-CG2 4.35Å
204Y97.8Very high94.8Very high11 Ų1149.4 Ų49.44%0.04327%0.267CS..EExtended strand (participates in β ladder)trans-137.8160.4-177.180.7-78.9000112.7D77 L80 V91 A92 Y93 I94 T244 Y245D77-Y204 HydrophobicContact CB-CE2 4.33Å; L80-Y204 HydrophobicContact CD1-CD1 3.43Å; L80-Y204 VanDerWaalsContact CD1-CD1 3.43Å; L80-Y204 HydrophobicContact CD1-CD2 3.89Å; L80-Y204 HydrophobicContact CD1-CE1 3.56Å; L80-Y204 HydrophobicContact CD1-CE2 4Å; L80-Y204 HydrophobicContact CD1-CG 3.6Å; L80-Y204 VanDerWaalsContact CD2-CB 3.44Å; L80-Y204 HydrophobicContact CD2-CD1 4.24Å; L80-Y204 HydrophobicContact CD2-CD2 3.92Å; L80-Y204 HydrophobicContact CD2-CG 3.62Å; L80-Y204 HydrophobicContact CG-CD1 4.47Å; L80-Y204 HydrophobicContact CG-CD2 4.5Å; L80-Y204 HydrophobicContact CG-CG 4.26Å; V91-Y204 HydrophobicContact CG2-CE1 4.22Å; A92-Y204 WeakPolarHBondContact O-CD1 3.21Å; A92-Y204 PolarHBondContact O-N 3.46Å; Y93-Y204 WeakPolarHBondContact CA-O 3.46Å; Y93-Y204 HydrophobicContact CD2-CD1 4.4Å; Y93-Y204 AromaticContact CD2-CD2 3.74Å; Y93-Y204 HydrophobicContact CD2-CD2 3.74Å; Y93-Y204 HydrophobicContact CD2-CE1 4.03Å; Y93-Y204 AromaticContact CD2-CE2 3.32Å; Y93-Y204 HydrophobicContact CD2-CE2 3.32Å; Y93-Y204 HydrophobicContact CD2-CG 4.27Å; Y93-Y204 AromaticContact CD2-CZ 3.48Å; Y93-Y204 VanDerWaalsContact CD2-CZ 3.48Å; Y93-Y204 WeakPolarHBondContact CD2-O 3.49Å; Y93-Y204 HydrophobicContact CE2-CD2 4.27Å; Y93-Y204 AromaticContact CE2-CE2 3.85Å; Y93-Y204 HydrophobicContact CE2-CE2 3.85Å; Y93-Y204 HydrophobicContact CG-CE1 4.17Å; Y93-Y204 HydrophobicContact CG-CE2 4.09Å; Y93-Y204 AromaticContact CG-CZ 3.76Å; I94-Y204 PolarHBondContact N-O 3.02Å; Y204-T244 HydrophobicContact CD2-CG2 4.21Å; Y204-Y245 CarbonylContact C-O 3.51Å; Y204-Y245 WeakPolarHBondContact CA-O 3.38Å; Y204-Y245 WeakPolarHBondContact CB-O 3.47Å
205L97.5Very high94.9Very high4 Ų448.3 Ų48.32%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-157.3166178.867.4134.2000112.2I94 V207 Y218 F223 T244 Y245I94-L205 HydrophobicContact CB-CB 4.03Å; I94-L205 HydrophobicContact CD1-CD2 4.49Å; L205-V207 HydrophobicContact CD1-CG2 3.42Å; L205-V207 VanDerWaalsContact CD1-CG2 3.42Å; L205-V207 HydrophobicContact CG-CG2 4.28Å; L205-Y218 HydrophobicContact CD1-CD1 4.14Å; L205-Y218 HydrophobicContact CD1-CD2 3.89Å; L205-Y218 HydrophobicContact CD1-CE1 3.61Å; L205-Y218 HydrophobicContact CD1-CE2 3.35Å; L205-Y218 HydrophobicContact CD1-CG 4.28Å; L205-Y218 WeakPolarHBondContact CD1-OH 3.42Å; L205-Y218 HydrophobicContact CD2-CD1 3.93Å; L205-Y218 HydrophobicContact CD2-CE1 3.9Å; L205-Y218 HydrophobicContact CD2-CG 4.41Å; L205-Y218 HydrophobicContact CG-CE1 4.43Å; L205-F223 HydrophobicContact CD2-CD1 3.65Å; L205-F223 HydrophobicContact CD2-CE1 3.32Å; L205-F223 HydrophobicContact CD2-CZ 3.98Å; L205-T244 WeakPolarHBondContact O-CA 3.4Å; L205-Y245 PolarHBondContact N-O 2.94Å; L205-Y245 PolarHBondContact O-N 3.14Å
206H95.3Very high95Very high37 Ų3747.4 Ų47.417%0.17125%0.247CC..EExtended strand (participates in β ladder)trans-105.6138.5172.4-55.6133.6000111.1D77 Y93 R229 Y233 C243 T244D77-H206 IonicContact OD1-NE2 2.9Å; D77-H206 IonicContact OD2-CE1 2.68Å; D77-H206 IonicContact OD2-NE2 3.18Å; Y93-H206 AromaticContact CE2-CE1 3.76Å; Y93-H206 AromaticContact CE2-ND1 3.7Å; Y93-H206 AromaticContact CZ-ND1 3.75Å; Y93-H206 PolarHBondContact OH-ND1 3.2Å; Y93-H206 VanDerWaalsContact OH-ND1 3.07Å; H206-R229 PolarHBondContact CE1-NH1 2.87Å; H206-R229 PolarHBondContact NE2-NH1 2.98Å; H206-Y233 WeakPolarHBondContact CB-OH 3.5Å; H206-C243 WeakPolarHBondContact CA-O 3.29Å; H206-T244 PolarHBondContact CD2-OG1 3.17Å; H206-T244 PolarHBondContact NE2-OG1 2.85Å
207V94.5Very high95.1Very high8 Ų841.1 Ų41.15%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-130.5141.2178.3-172.90000108.7L205 H209 N211 A214 R215 Y218 G242 C243 Y245L205-V207 HydrophobicContact CD1-CG2 3.42Å; L205-V207 VanDerWaalsContact CD1-CG2 3.42Å; L205-V207 HydrophobicContact CG-CG2 4.28Å; V207-H209 PolarHBondContact O-N 3.1Å; V207-N211 HydrophobicContact CG1-CB 4.38Å; V207-A214 HydrophobicContact CG1-CB 3.59Å; V207-R215 HydrophobicContact CG1-CG 4.05Å; V207-Y218 HydrophobicContact CG2-CD2 3.64Å; V207-Y218 HydrophobicContact CG2-CE2 3.52Å; V207-G242 CarbonylContact O-C 3.58Å; V207-G242 VanDerWaalsContact O-CA 3.31Å; V207-G242 WeakPolarHBondContact O-CA 3.29Å; V207-C243 PolarHBondContact N-O 2.75Å; V207-C243 PolarHBondContact O-N 3.5Å; V207-Y245 HydrophobicContact CB-CD2 4.14Å; V207-Y245 HydrophobicContact CB-CE2 4.26Å; V207-Y245 HydrophobicContact CG2-CD2 3.81Å; V207-Y245 HydrophobicContact CG2-CE2 4.31Å
208L93.7Very high95.2Very high30 Ų3040.6 Ų40.616%0.15721%0.212CC..EExtended strand (participates in β ladder)trans-59.9130.7170.9-170.270.4000109.6S210 N211 Y233 I235 A240L208-S210 WeakPolarHBondContact CD2-OG 3.42Å; L208-S210 WeakPolarHBondContact CG-OG 3.35Å; L208-S210 PolarHBondContact O-N 2.98Å; L208-N211 HydrophobicContact CB-CB 4.03Å; L208-N211 WeakPolarHBondContact O-CB 3.29Å; L208-N211 PolarHBondContact O-N 2.84Å; L208-Y233 HydrophobicContact CD1-CD2 3.69Å; L208-Y233 HydrophobicContact CD1-CE2 4.36Å; L208-Y233 HydrophobicContact CD1-CG 4.21Å; L208-I235 HydrophobicContact CD1-CD1 3.89Å; L208-I235 HydrophobicContact CD2-CD1 3.81Å; L208-A240 HydrophobicContact CD1-CB 3.83Å
209H93.1Very high95.1Very high31 Ų3139.7 Ų39.714%0.14420%0.198CC..THydrogen-bonded Turntrans-56.7-38.9-177-175.287.3000112.2V207 N211 R215 D241 C243 E268V207-H209 PolarHBondContact O-N 3.1Å; H209-N211 VanDerWaalsContact C-N 3.29Å; H209-N211 PolarHBondContact O-N 3.01Å; H209-R215 WeakPolarHBondContact O-CD 3.4Å; H209-R215 PolarHBondContact O-NH1 3.24Å; H209-D241 HydrophobicContact CB-CB 3.88Å; H209-D241 VanDerWaalsContact CB-O 3.27Å; H209-D241 WeakPolarHBondContact CB-O 3.39Å; H209-D241 PolarHBondContact N-O 3.19Å; H209-C243 PolarHBondContact ND1-SG 3.48Å; H209-E268 IonicContact NE2-OE1 3.09Å; H209-E268 IonicContact NE2-OE2 3.18Å
210S92.1Very high94.9Very high83 Ų8340.3 Ų40.358%0.5820%0.198SC*.THydrogen-bonded Turntrans-76.4-9.5178.858.40000114.4L208 L212L208-S210 WeakPolarHBondContact CD2-OG 3.42Å; L208-S210 WeakPolarHBondContact CG-OG 3.35Å; L208-S210 PolarHBondContact O-N 2.98Å; S210-L212 VanDerWaalsContact C-N 3.31Å; S210-L212 PolarHBondContact O-N 3.05Å
211N92.8Very high94.7Very high66 Ų6641.1 Ų41.135%0.35320%0.201SC..  trans-83.774.9179.3-170.4-15.2000111.1V207 L208 H209 H213 A214 R215V207-N211 HydrophobicContact CG1-CB 4.38Å; L208-N211 HydrophobicContact CB-CB 4.03Å; L208-N211 WeakPolarHBondContact O-CB 3.29Å; L208-N211 PolarHBondContact O-N 2.84Å; H209-N211 VanDerWaalsContact C-N 3.29Å; H209-N211 PolarHBondContact O-N 3.01Å; N211-H213 PolarHBondContact O-N 3.19Å; N211-A214 HydrophobicContact CB-CB 4.23Å; N211-A214 VanDerWaalsContact CG-CB 3.46Å; N211-A214 PolarHBondContact O-N 2.99Å; N211-A214 WeakPolarHBondContact OD1-CB 3.36Å; N211-A214 PolarHBondContact OD1-N 2.96Å; N211-R215 WeakPolarHBondContact O-CG 3.09Å; N211-R215 PolarHBondContact O-N 3.41Å
212L93.6Very high94.5Very high29 Ų2938 Ų3815%0.15220%0.202CC..Hα-helixtrans-58.2-33.6-178.5-64.6177.3000113.1S210 R216 D272S210-L212 VanDerWaalsContact C-N 3.31Å; S210-L212 PolarHBondContact O-N 3.05Å; L212-R216 WeakPolarHBondContact O-CB 3.19Å; L212-R216 WeakPolarHBondContact O-CG 3.49Å; L212-R216 PolarHBondContact O-N 2.61Å; L212-D272 HydrophobicContact CD1-CB 3.69Å
213H92.1Very high94.5Very high136 Ų13638.2 Ų38.263%0.6320%0.203SC*.Hα-helixtrans-63.8-47.4177-70.6-68.1000112.1N211 F217N211-H213 PolarHBondContact O-N 3.19Å; H213-F217 VanDerWaalsContact O-CB 3.3Å; H213-F217 WeakPolarHBondContact O-CB 3.48Å; H213-F217 PolarHBondContact O-N 3.31Å
214A93Very high94.3Very high18 Ų1841.3 Ų41.315%0.14922%0.219CC..Hα-helixtrans-66.5-44.8177.200000111.2V207 N211 R216 F217 Y218V207-A214 HydrophobicContact CG1-CB 3.59Å; N211-A214 HydrophobicContact CB-CB 4.23Å; N211-A214 VanDerWaalsContact CG-CB 3.46Å; N211-A214 PolarHBondContact O-N 2.99Å; N211-A214 WeakPolarHBondContact OD1-CB 3.36Å; N211-A214 PolarHBondContact OD1-N 2.96Å; A214-R216 PolarHBondContact O-N 3.42Å; A214-F217 WeakPolarHBondContact O-CA 3.26Å; A214-F217 WeakPolarHBondContact O-CB 3.4Å; A214-F217 PolarHBondContact O-N 3.04Å; A214-F217 VanDerWaalsContact O-N 3.08Å; A214-Y218 HydrophobicContact CB-CD2 4.49Å; A214-Y218 HydrophobicContact CB-CE2 4.08Å; A214-Y218 WeakPolarHBondContact O-CD2 3.43Å; A214-Y218 PolarHBondContact O-N 3.41Å
215R95.3Very high94Very high8 Ų841.9 Ų41.93%0.0322%0.224CC..Hα-helixtrans-53.5-54177.1-70.9175.259.5-168.5-4.8111.8V207 H209 N211 F217 Y218 E219 Y245 E268V207-R215 HydrophobicContact CG1-CG 4.05Å; H209-R215 WeakPolarHBondContact O-CD 3.4Å; H209-R215 PolarHBondContact O-NH1 3.24Å; N211-R215 WeakPolarHBondContact O-CG 3.09Å; N211-R215 PolarHBondContact O-N 3.41Å; R215-F217 VanDerWaalsContact C-N 3.29Å; R215-F217 PolarHBondContact O-N 3.16Å; R215-Y218 PolarHBondContact O-N 3.32Å; R215-E219 WeakPolarHBondContact O-CB 3.34Å; R215-E219 VanDerWaalsContact O-CG 3.25Å; R215-E219 WeakPolarHBondContact O-CG 3.27Å; R215-E219 PolarHBondContact O-N 3.38Å; R215-Y245 HydrophobicContact CB-CE2 4.5Å; R215-Y245 WeakPolarHBondContact CB-OH 3.42Å; R215-Y245 HydrophobicContact CG-CE2 3.92Å; R215-Y245 WeakPolarHBondContact CG-OH 3.33Å; R215-Y245 PolarHBondContact NE-OH 3.37Å; R215-E268 IonicContact NH1-OE2 2.69Å; R215-E268 PolarHBondContact NH1-OE2 2.86Å
216R93.6Very high93.7Very high67 Ų6742.8 Ų42.825%0.25323%0.229SC..Hα-helixtrans-61.8-36.6176.4-70.4177.8-177.3171.96.4112.7L212 A214 Y218 N220 D272 S274L212-R216 WeakPolarHBondContact O-CB 3.19Å; L212-R216 WeakPolarHBondContact O-CG 3.49Å; L212-R216 PolarHBondContact O-N 2.61Å; A214-R216 PolarHBondContact O-N 3.42Å; R216-Y218 VanDerWaalsContact C-N 3.31Å; R216-Y218 PolarHBondContact O-N 3.04Å; R216-N220 WeakPolarHBondContact O-CB 3.34Å; R216-N220 PolarHBondContact O-N 2.75Å; R216-N220 PolarHBondContact O-ND2 2.71Å; R216-D272 IonicContact CZ-OD2 2.74Å; R216-D272 IonicContact NH1-OD2 2.98Å; R216-D272 PolarHBondContact NH1-OD2 2.88Å; R216-D272 IonicContact NH2-OD2 3.32Å; R216-D272 PolarHBondContact NH2-OD2 2.84Å; R216-D272 VanDerWaalsContact NH2-OD2 3.09Å; R216-S274 PolarHBondContact NH1-OG 3.21Å
217F95Very high93.4Very high41 Ų4143.3 Ų43.318%0.1823%0.232CC..Hα-helixtrans-60.1-41.8176.8169.7-93.2000111.9L97 A109 L113 H213 A214 R215 R221L97-F217 HydrophobicContact CD2-CE1 3.73Å; L97-F217 HydrophobicContact CD2-CZ 4.24Å; A109-F217 HydrophobicContact CB-CE2 4.02Å; A109-F217 HydrophobicContact CB-CZ 3.8Å; L113-F217 HydrophobicContact CD2-CE1 3.61Å; L113-F217 HydrophobicContact CD2-CZ 3.95Å; H213-F217 VanDerWaalsContact O-CB 3.3Å; H213-F217 WeakPolarHBondContact O-CB 3.48Å; H213-F217 PolarHBondContact O-N 3.31Å; A214-F217 WeakPolarHBondContact O-CA 3.26Å; A214-F217 WeakPolarHBondContact O-CB 3.4Å; A214-F217 PolarHBondContact O-N 3.04Å; A214-F217 VanDerWaalsContact O-N 3.08Å; R215-F217 VanDerWaalsContact C-N 3.29Å; R215-F217 PolarHBondContact O-N 3.16Å; F217-R221 VanDerWaalsContact CD2-CZ 3.49Å; F217-R221 WeakPolarHBondContact O-CD 3.34Å; F217-R221 WeakPolarHBondContact O-CG 3.32Å; F217-R221 PolarHBondContact O-NH1 3.2Å
218Y95.9Very high93.3Very high15 Ų1545.4 Ų45.46%0.05924%0.244CC..Hα-helixtrans-77.4-41.8177.5-63.1-63.7000112.6L97 L113 L205 V207 A214 R215 R216 N220 R221 G222 F223L97-Y218 HydrophobicContact CD2-CE1 3.99Å; L113-Y218 HydrophobicContact CD2-CD1 4.1Å; L113-Y218 HydrophobicContact CD2-CE1 4.09Å; L205-Y218 HydrophobicContact CD1-CD1 4.14Å; L205-Y218 HydrophobicContact CD1-CD2 3.89Å; L205-Y218 HydrophobicContact CD1-CE1 3.61Å; L205-Y218 HydrophobicContact CD1-CE2 3.35Å; L205-Y218 HydrophobicContact CD1-CG 4.28Å; L205-Y218 WeakPolarHBondContact CD1-OH 3.42Å; L205-Y218 HydrophobicContact CD2-CD1 3.93Å; L205-Y218 HydrophobicContact CD2-CE1 3.9Å; L205-Y218 HydrophobicContact CD2-CG 4.41Å; L205-Y218 HydrophobicContact CG-CE1 4.43Å; V207-Y218 HydrophobicContact CG2-CD2 3.64Å; V207-Y218 HydrophobicContact CG2-CE2 3.52Å; A214-Y218 HydrophobicContact CB-CD2 4.49Å; A214-Y218 HydrophobicContact CB-CE2 4.08Å; A214-Y218 WeakPolarHBondContact O-CD2 3.43Å; A214-Y218 PolarHBondContact O-N 3.41Å; R215-Y218 PolarHBondContact O-N 3.32Å; R216-Y218 VanDerWaalsContact C-N 3.31Å; R216-Y218 PolarHBondContact O-N 3.04Å; Y218-N220 VanDerWaalsContact C-N 3.33Å; Y218-N220 PolarHBondContact O-N 3.28Å; Y218-R221 CarbonylContact O-C 3.53Å; Y218-R221 WeakPolarHBondContact O-CA 3.35Å; Y218-R221 PolarHBondContact O-N 3.13Å; Y218-G222 PolarHBondContact O-N 2.63Å; Y218-F223 HydrophobicContact CD1-CD2 4.2Å; Y218-F223 HydrophobicContact CD1-CE2 4.29Å; Y218-F223 HydrophobicContact CD1-CG 4.48Å; Y218-F223 WeakPolarHBondContact O-CB 3.38Å; Y218-F223 WeakPolarHBondContact O-CD2 2.93Å; Y218-F223 PolarHBondContact O-N 3.2Å; Y218-F223 VanDerWaalsContact O-N 3.1Å
219E94.6Very high93.1Very high72 Ų7245.8 Ų45.834%0.33624%0.244SC..Hα-helixtrans-58.9-44.3177.4-71.3164.8-175.600111.6R215 R221 G222 F223 Y245R215-E219 WeakPolarHBondContact O-CB 3.34Å; R215-E219 VanDerWaalsContact O-CG 3.25Å; R215-E219 WeakPolarHBondContact O-CG 3.27Å; R215-E219 PolarHBondContact O-N 3.38Å; E219-R221 PolarHBondContact O-N 2.87Å; E219-G222 PolarHBondContact O-N 2.94Å; E219-G222 VanDerWaalsContact O-N 3.12Å; E219-F223 WeakPolarHBondContact CA-O 3.36Å; E219-Y245 HydrophobicContact CG-CE1 3.6Å; E219-Y245 PolarHBondContact OE1-OH 3.09Å
220N93.3Very high92.9Very high81 Ų8149.4 Ų49.443%0.43327%0.27SS..THydrogen-bonded Turntrans-68.65.8173.7-66.1-12.7000113.5C139 R216 Y218C139-N220 CarbonylContact C-O 3.59Å; C139-N220 VanDerWaalsContact C-O 3.25Å; C139-N220 VanDerWaalsContact CA-O 3.29Å; C139-N220 WeakPolarHBondContact CA-O 3.45Å; C139-N220 HydrophobicContact CB-CB 4.14Å; R216-N220 WeakPolarHBondContact O-CB 3.34Å; R216-N220 PolarHBondContact O-N 2.75Å; R216-N220 PolarHBondContact O-ND2 2.71Å; Y218-N220 VanDerWaalsContact C-N 3.33Å; Y218-N220 PolarHBondContact O-N 3.28Å
221R94.1Very high92.7Very high18 Ų1846.7 Ų46.77%0.06826%0.255CS..THydrogen-bonded Turntrans-126.217.6176.6-65.5177.5171.655.510.7111.6S110 F143 F217 Y218 E219 F223S110-R221 PolarHBondContact OG-NH2 2.92Å; F143-R221 WeakPolarHBondContact CD1-O 3.5Å; F143-R221 HydrophobicContact CD2-CB 3.93Å; F143-R221 HydrophobicContact CD2-CG 4.16Å; F143-R221 HydrophobicContact CE1-CB 4.21Å; F143-R221 HydrophobicContact CE2-CB 3.58Å; F143-R221 HydrophobicContact CE2-CG 3.46Å; F143-R221 VanDerWaalsContact CE2-CG 3.46Å; F143-R221 HydrophobicContact CG-CB 4.41Å; F143-R221 WeakPolarHBondContact CG-O 3.47Å; F143-R221 HydrophobicContact CZ-CB 3.73Å; F143-R221 HydrophobicContact CZ-CG 3.78Å; F217-R221 VanDerWaalsContact CD2-CZ 3.49Å; F217-R221 WeakPolarHBondContact O-CD 3.34Å; F217-R221 WeakPolarHBondContact O-CG 3.32Å; F217-R221 PolarHBondContact O-NH1 3.2Å; Y218-R221 CarbonylContact O-C 3.53Å; Y218-R221 WeakPolarHBondContact O-CA 3.35Å; Y218-R221 PolarHBondContact O-N 3.13Å; E219-R221 PolarHBondContact O-N 2.87Å; R221-F223 VanDerWaalsContact C-N 3.34Å; R221-F223 HydrophobicContact CB-CD2 4.3Å
222G92.8Very high92.5Very high43 Ų4346.4 Ų46.444%0.44326%0.258SS..THydrogen-bonded Turntrans84.13.8175.800000114.7Y218 E219 L247Y218-G222 PolarHBondContact O-N 2.63Å; E219-G222 PolarHBondContact O-N 2.94Å; E219-G222 VanDerWaalsContact O-N 3.12Å; G222-L247 WeakPolarHBondContact O-CD1 3.5Å
223F96.2Very high92.3Very high5 Ų547.5 Ų47.52%0.02226%0.26CS..  trans-72.6135.5171.5-71.8-102.2000110L113 I117 V203 L205 Y218 E219 R221 Y245 V246 L247L113-F223 HydrophobicContact CD1-CE2 4.4Å; L113-F223 HydrophobicContact CD1-CZ 4.22Å; L113-F223 HydrophobicContact CD2-CE2 4.12Å; I117-F223 HydrophobicContact CD1-CE2 3.99Å; I117-F223 HydrophobicContact CD1-CZ 4.03Å; V203-F223 HydrophobicContact CG1-CE1 4.46Å; V203-F223 HydrophobicContact CG1-CZ 4.4Å; L205-F223 HydrophobicContact CD2-CD1 3.65Å; L205-F223 HydrophobicContact CD2-CE1 3.32Å; L205-F223 HydrophobicContact CD2-CZ 3.98Å; Y218-F223 HydrophobicContact CD1-CD2 4.2Å; Y218-F223 HydrophobicContact CD1-CE2 4.29Å; Y218-F223 HydrophobicContact CD1-CG 4.48Å; Y218-F223 WeakPolarHBondContact O-CB 3.38Å; Y218-F223 WeakPolarHBondContact O-CD2 2.93Å; Y218-F223 PolarHBondContact O-N 3.2Å; Y218-F223 VanDerWaalsContact O-N 3.1Å; E219-F223 WeakPolarHBondContact CA-O 3.36Å; R221-F223 VanDerWaalsContact C-N 3.34Å; R221-F223 HydrophobicContact CB-CD2 4.3Å; F223-Y245 HydrophobicContact CB-CD1 3.93Å; F223-V246 CarbonylContact C-O 3.25Å; F223-V246 WeakPolarHBondContact CA-O 3.5Å; F223-L247 HydrophobicContact CD1-CB 3.64Å; F223-L247 HydrophobicContact CD2-CB 4.04Å; F223-L247 HydrophobicContact CE1-CB 3.5Å; F223-L247 VanDerWaalsContact CE1-CB 3.5Å; F223-L247 HydrophobicContact CE2-CB 3.91Å; F223-L247 HydrophobicContact CE2-CD2 3.93Å; F223-L247 HydrophobicContact CE2-CG 4.45Å; F223-L247 HydrophobicContact CG-CB 3.9Å; F223-L247 HydrophobicContact CZ-CB 3.65Å; F223-L247 HydrophobicContact CZ-CD2 4.03Å; F223-L247 HydrophobicContact CZ-CG 4.48Å
224I93.4Very high92.2Very high64 Ų6445.8 Ų45.833%0.32826%0.26SS..EExtended strand (participates in β ladder)trans-104.6137173.759.2174.6000109.8L226 Y245 V246 L254 P258I224-L226 PolarHBondContact O-N 2.63Å; I224-Y245 WeakPolarHBondContact O-CA 3.11Å; I224-V246 HydrophobicContact CD1-CG1 4.1Å; I224-V246 HydrophobicContact CG1-CG1 3.57Å; I224-V246 WeakPolarHBondContact CG1-O 3.45Å; I224-V246 PolarHBondContact N-O 3.39Å; I224-V246 PolarHBondContact O-N 2.94Å; I224-L254 HydrophobicContact CD1-CD1 3.61Å; I224-P258 HydrophobicContact CD1-CG 4.49Å
225C93.1Very high91.9Very high23 Ų2346.4 Ų46.416%0.15526%0.26CS..EExtended strand (participates in β ladder)trans-71.9115.3170.6-173.10000108.6Y245C225-Y245 HydrophobicContact CB-CD1 4.23Å; C225-Y245 HydrophobicContact CB-CE1 3.68Å; C225-Y245 HydrophobicContact CB-CE2 4.29Å
226L91.2Very high91.5Very high23 Ų2353.4 Ų53.412%0.1230%0.298CS..EExtended strand (participates in β ladder)trans-84.4-50.8-177.1-177.165.8000111.4K79 L80 I224 T244 V246 L254K79-L226 HydrophobicContact CB-CD2 4.23Å; K79-L226 WeakPolarHBondContact O-CD2 3.32Å; L80-L226 HydrophobicContact CD2-CD2 4.27Å; I224-L226 PolarHBondContact O-N 2.63Å; L226-T244 PolarHBondContact N-O 3.46Å; L226-V246 HydrophobicContact CB-CG1 4.28Å; L226-L254 HydrophobicContact CD1-CD1 3.82Å; L226-L254 HydrophobicContact CD1-CD2 3.97Å
227H89.1Confident91.3Very high48 Ų4853.7 Ų53.722%0.22232%0.321CS..EExtended strand (participates in β ladder)trans-160.4160.9178.667.6-82.9000111.9D76 C243 T244D76-H227 PolarHBondContact O-CE1 2.86Å; H227-C243 WeakPolarHBondContact O-CA 3.4Å; H227-T244 PolarHBondContact CE1-OG1 3.14Å; H227-T244 PolarHBondContact O-N 2.95Å
228V90.9Very high91.1Very high52 Ų5261.2 Ų61.232%0.31535%0.349SS..EExtended strand (participates in β ladder)trans-89.5138.6171.6-1790000108.9P230 D241 G242V228-P230 WeakPolarHBondContact O-CD 3.34Å; V228-D241 HydrophobicContact CG1-CB 4.03Å; V228-G242 CarbonylContact C-O 3.58Å; V228-G242 WeakPolarHBondContact CA-O 3.39Å; V228-G242 WeakPolarHBondContact CG1-O 3.45Å
229R89.6Confident90.9Very high39 Ų3964.8 Ų64.815%0.14738%0.376CS..EExtended strand (participates in β ladder)trans-106.894.1175.1-61.4-176.877.6132.711.5108.8D76 D77 H206 G231 C232 D241 G242D76-R229 IonicContact OD2-CZ 2.65Å; D76-R229 IonicContact OD2-NH2 3.69Å; D76-R229 PolarHBondContact OD2-NH2 2.91Å; D77-R229 IonicContact OD1-NH1 3.75Å; D77-R229 PolarHBondContact OD1-NH1 2.76Å; D77-R229 IonicContact OD2-NH1 2.86Å; D77-R229 PolarHBondContact OD2-NH1 3.27Å; H206-R229 PolarHBondContact CE1-NH1 2.87Å; H206-R229 PolarHBondContact NE2-NH1 2.98Å; R229-G231 PolarHBondContact O-N 2.92Å; R229-C232 HydrophobicContact CB-CB 3.99Å; R229-C232 VanDerWaalsContact CB-SG 3.58Å; R229-C232 PolarHBondContact O-SG 3.36Å; R229-D241 WeakPolarHBondContact O-CA 3.38Å; R229-G242 PolarHBondContact N-O 2.77Å; R229-G242 PolarHBondContact O-N 2.88Å
230P89.8Confident90.9Very high106 Ų10662.5 Ų62.569%0.68837%0.369SS*.EExtended strand (participates in β ladder)trans-62.8131.1-174.7-21.333.6000111.5V228 C232 D241V228-P230 WeakPolarHBondContact O-CD 3.34Å; P230-C232 PolarHBondContact O-N 3.15Å; P230-C232 VanDerWaalsContact O-N 3.09Å; P230-D241 VanDerWaalsContact CA-OD1 3.26Å; P230-D241 WeakPolarHBondContact CA-OD1 3.37Å
231G88.3Confident90.9Very high27 Ų2761.9 Ų61.928%0.27837%0.366SS..EExtended strand (participates in β ladder)trans58.322.9172.900000116.8R229 Y233 S239 A240 D241R229-G231 PolarHBondContact O-N 2.92Å; G231-Y233 VanDerWaalsContact C-N 3.26Å; G231-Y233 PolarHBondContact O-N 3.47Å; G231-S239 WeakPolarHBondContact CA-OG 3.47Å; G231-A240 CarbonylContact C-O 3.42Å; G231-A240 WeakPolarHBondContact CA-O 3.33Å; G231-D241 PolarHBondContact N-OD1 2.79Å
232C88Confident90.9Very high59 Ų5961 Ų6140%0.39936%0.363SS..EExtended strand (participates in β ladder)trans-74.3-14-178.964.70000114R229 P230 A240 G242R229-C232 HydrophobicContact CB-CB 3.99Å; R229-C232 VanDerWaalsContact CB-SG 3.58Å; R229-C232 PolarHBondContact O-SG 3.36Å; P230-C232 PolarHBondContact O-N 3.15Å; P230-C232 VanDerWaalsContact O-N 3.09Å; C232-A240 PolarHBondContact N-O 2.98Å; C232-G242 VanDerWaalsContact SG-CA 3.52Å; C232-G242 PolarHBondContact SG-N 2.82Å
233Y88.2Confident90.9Very high52 Ų5259 Ų5920%0.20434%0.342CS..EExtended strand (participates in β ladder)trans-112.8147174.4-63.3-71000111.3V32 H206 L208 G231 S239 A240V32-Y233 HydrophobicContact CG2-CD1 4.37Å; H206-Y233 WeakPolarHBondContact CB-OH 3.5Å; L208-Y233 HydrophobicContact CD1-CD2 3.69Å; L208-Y233 HydrophobicContact CD1-CE2 4.36Å; L208-Y233 HydrophobicContact CD1-CG 4.21Å; G231-Y233 VanDerWaalsContact C-N 3.26Å; G231-Y233 PolarHBondContact O-N 3.47Å; Y233-S239 CarbonylContact O-C 3.59Å; Y233-S239 WeakPolarHBondContact O-CA 3.43Å; Y233-A240 PolarHBondContact N-O 3.47Å; Y233-A240 PolarHBondContact O-N 2.94Å
234T89.6Confident90.9Very high101 Ų10158.8 Ų58.862%0.6234%0.341SS*.EExtended strand (participates in β ladder)trans-117.8113.1168.6-57.80000108.6R238T234-R238 CarbonylContact C-O 3.56Å; T234-R238 WeakPolarHBondContact CA-O 3.44Å
235I87.2Confident91Very high31 Ų3155.8 Ų55.816%0.15933%0.325CS..EExtended strand (participates in β ladder)trans-120.8121.2178.8-56.2172.3000107.2P31 V32 L208 G237 R238 A240P31-I235 HydrophobicContact CB-CD1 4.35Å; P31-I235 HydrophobicContact CB-CG2 4.41Å; P31-I235 HydrophobicContact CG-CD1 4.09Å; V32-I235 HydrophobicContact CG2-CG1 4.26Å; L208-I235 HydrophobicContact CD1-CD1 3.89Å; L208-I235 HydrophobicContact CD2-CD1 3.81Å; I235-G237 PolarHBondContact O-N 3.49Å; I235-R238 PolarHBondContact N-O 3.13Å; I235-R238 WeakPolarHBondContact O-CB 3.5Å; I235-R238 PolarHBondContact O-N 2.71Å; I235-A240 HydrophobicContact CD1-CB 4.34Å
236D87.3Confident91.2Very high155 Ų15554.7 Ų54.783%0.82932%0.318SS*.THydrogen-bonded Turntrans5139.9-177.5-57-38.9000113.7R238D236-R238 PolarHBondContact O-N 2.95Å
237G88.8Confident91.4Very high72 Ų7253.8 Ų53.874%0.74231%0.313SS*.THydrogen-bonded Turntrans73.12.8-177.800000115I235I235-G237 PolarHBondContact O-N 3.49Å
238R91.1Very high91.7Very high199 Ų19952.9 Ų52.975%0.75131%0.309SS*.EExtended strand (participates in β ladder)trans-101.4137.3176.4-60.5-177.8-178.3-176.41110.8T234 I235 D236T234-R238 CarbonylContact C-O 3.56Å; T234-R238 WeakPolarHBondContact CA-O 3.44Å; I235-R238 PolarHBondContact N-O 3.13Å; I235-R238 WeakPolarHBondContact O-CB 3.5Å; I235-R238 PolarHBondContact O-N 2.71Å; D236-R238 PolarHBondContact O-N 2.95Å
239S93Very high91.9Very high90 Ų9050.4 Ų50.463%0.62929%0.294SS*.EExtended strand (participates in β ladder)trans-70.9135.6172.8-172.20000109.8G231 Y233G231-S239 WeakPolarHBondContact CA-OG 3.47Å; Y233-S239 CarbonylContact O-C 3.59Å; Y233-S239 WeakPolarHBondContact O-CA 3.43Å
240A93.1Very high92.2Very high24 Ų2450.2 Ų50.220%0.19830%0.296CS..EExtended strand (participates in β ladder)trans-137.8146.3178.900000111.4L208 G231 C232 Y233 I235L208-A240 HydrophobicContact CD1-CB 3.83Å; G231-A240 CarbonylContact C-O 3.42Å; G231-A240 WeakPolarHBondContact CA-O 3.33Å; C232-A240 PolarHBondContact N-O 2.98Å; Y233-A240 PolarHBondContact N-O 3.47Å; Y233-A240 PolarHBondContact O-N 2.94Å; I235-A240 HydrophobicContact CD1-CB 4.34Å
241D94.8Very high92.4Very high69 Ų6947.7 Ų47.737%0.36929%0.29SS..EExtended strand (participates in β ladder)trans-83.8143.2-174.7-63.2-13.1000111.7H209 V228 R229 P230 G231H209-D241 HydrophobicContact CB-CB 3.88Å; H209-D241 VanDerWaalsContact CB-O 3.27Å; H209-D241 WeakPolarHBondContact CB-O 3.39Å; H209-D241 PolarHBondContact N-O 3.19Å; V228-D241 HydrophobicContact CG1-CB 4.03Å; R229-D241 WeakPolarHBondContact O-CA 3.38Å; P230-D241 VanDerWaalsContact CA-OD1 3.26Å; P230-D241 WeakPolarHBondContact CA-OD1 3.37Å; G231-D241 PolarHBondContact N-OD1 2.79Å
242G93.7Very high92.7Very high0 Ų047 Ų470%028%0.282CS..EExtended strand (participates in β ladder)trans-105.7169.7170.800000111.9V207 V228 R229 C232V207-G242 CarbonylContact O-C 3.58Å; V207-G242 VanDerWaalsContact O-CA 3.31Å; V207-G242 WeakPolarHBondContact O-CA 3.29Å; V228-G242 CarbonylContact C-O 3.58Å; V228-G242 WeakPolarHBondContact CA-O 3.39Å; V228-G242 WeakPolarHBondContact CG1-O 3.45Å; R229-G242 PolarHBondContact N-O 2.77Å; R229-G242 PolarHBondContact O-N 2.88Å; C232-G242 VanDerWaalsContact SG-CA 3.52Å; C232-G242 PolarHBondContact SG-N 2.82Å
243C93.3Very high93Very high1 Ų148.5 Ų48.51%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-134.8134.5172.2-690000108.8H206 V207 H209 H227 Y245H206-C243 WeakPolarHBondContact CA-O 3.29Å; V207-C243 PolarHBondContact N-O 2.75Å; V207-C243 PolarHBondContact O-N 3.5Å; H209-C243 PolarHBondContact ND1-SG 3.48Å; H227-C243 WeakPolarHBondContact O-CA 3.4Å; C243-Y245 HydrophobicContact CB-CD2 4.12Å; C243-Y245 HydrophobicContact CB-CE2 3.73Å
244T95.1Very high93.1Very high0 Ų047.4 Ų47.40%028%0.28CS..EExtended strand (participates in β ladder)trans-89.3118.8171.7-59.10000109L80 Y204 L205 H206 L226 H227L80-T244 HydrophobicContact CD2-CG2 4.14Å; Y204-T244 HydrophobicContact CD2-CG2 4.21Å; L205-T244 WeakPolarHBondContact O-CA 3.4Å; H206-T244 PolarHBondContact CD2-OG1 3.17Å; H206-T244 PolarHBondContact NE2-OG1 2.85Å; L226-T244 PolarHBondContact N-O 3.46Å; H227-T244 PolarHBondContact CE1-OG1 3.14Å; H227-T244 PolarHBondContact O-N 2.95Å
245Y96.1Very high92.9Very high0 Ų047.2 Ų47.20%028%0.276CS..EExtended strand (participates in β ladder)trans-103.6136.9173.5-82.6-93.4000109.7Y204 L205 V207 R215 E219 F223 I224 C225 C243Y204-Y245 CarbonylContact C-O 3.51Å; Y204-Y245 WeakPolarHBondContact CA-O 3.38Å; Y204-Y245 WeakPolarHBondContact CB-O 3.47Å; L205-Y245 PolarHBondContact N-O 2.94Å; L205-Y245 PolarHBondContact O-N 3.14Å; V207-Y245 HydrophobicContact CB-CD2 4.14Å; V207-Y245 HydrophobicContact CB-CE2 4.26Å; V207-Y245 HydrophobicContact CG2-CD2 3.81Å; V207-Y245 HydrophobicContact CG2-CE2 4.31Å; R215-Y245 HydrophobicContact CB-CE2 4.5Å; R215-Y245 WeakPolarHBondContact CB-OH 3.42Å; R215-Y245 HydrophobicContact CG-CE2 3.92Å; R215-Y245 WeakPolarHBondContact CG-OH 3.33Å; R215-Y245 PolarHBondContact NE-OH 3.37Å; E219-Y245 HydrophobicContact CG-CE1 3.6Å; E219-Y245 PolarHBondContact OE1-OH 3.09Å; F223-Y245 HydrophobicContact CB-CD1 3.93Å; I224-Y245 WeakPolarHBondContact O-CA 3.11Å; C225-Y245 HydrophobicContact CB-CD1 4.23Å; C225-Y245 HydrophobicContact CB-CE1 3.68Å; C225-Y245 HydrophobicContact CB-CE2 4.29Å; C243-Y245 HydrophobicContact CB-CD2 4.12Å; C243-Y245 HydrophobicContact CB-CE2 3.73Å
246V96.1Very high92.2Very high0 Ų050.6 Ų50.60%030%0.301CS..EExtended strand (participates in β ladder)trans-130.5136.9178.862.80000110.8L80 A202 V203 F223 I224 L226L80-V246 HydrophobicContact CD2-CB 3.91Å; L80-V246 HydrophobicContact CD2-CG2 3.86Å; A202-V246 HydrophobicContact CB-CG2 3.89Å; V203-V246 CarbonylContact O-C 3.46Å; V203-V246 WeakPolarHBondContact O-CA 3.46Å; F223-V246 CarbonylContact C-O 3.25Å; F223-V246 WeakPolarHBondContact CA-O 3.5Å; I224-V246 HydrophobicContact CD1-CG1 4.1Å; I224-V246 HydrophobicContact CG1-CG1 3.57Å; I224-V246 WeakPolarHBondContact CG1-O 3.45Å; I224-V246 PolarHBondContact N-O 3.39Å; I224-V246 PolarHBondContact O-N 2.94Å; L226-V246 HydrophobicContact CB-CG1 4.28Å
247L96.5Very high90.8Very high4 Ų452.5 Ų52.52%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-113.1115.6167.8175.770.9000107.7I117 A202 V203 G222 F223 T249I117-L247 HydrophobicContact CD1-CD2 3.63Å; I117-L247 HydrophobicContact CG1-CD2 4.21Å; I117-L247 HydrophobicContact CG2-CD2 4.04Å; A202-L247 CarbonylContact C-O 3.53Å; A202-L247 WeakPolarHBondContact CA-O 3.41Å; V203-L247 PolarHBondContact N-O 2.89Å; V203-L247 PolarHBondContact O-N 2.93Å; G222-L247 WeakPolarHBondContact O-CD1 3.5Å; F223-L247 HydrophobicContact CD1-CB 3.64Å; F223-L247 HydrophobicContact CD2-CB 4.04Å; F223-L247 HydrophobicContact CE1-CB 3.5Å; F223-L247 VanDerWaalsContact CE1-CB 3.5Å; F223-L247 HydrophobicContact CE2-CB 3.91Å; F223-L247 HydrophobicContact CE2-CD2 3.93Å; F223-L247 HydrophobicContact CE2-CG 4.45Å; F223-L247 HydrophobicContact CG-CB 3.9Å; F223-L247 HydrophobicContact CZ-CB 3.65Å; F223-L247 HydrophobicContact CZ-CD2 4.03Å; F223-L247 HydrophobicContact CZ-CG 4.48Å; L247-T249 HydrophobicContact CD2-CG2 4.23Å; L247-T249 HydrophobicContact CG-CG2 4.19Å
248H95.8Very high89.3Confident29 Ų2951.4 Ų51.413%0.13428%0.282CS..EExtended strand (participates in β ladder)trans-75.9133.9174-65.895.9000110.7L80 G252 H253 L254L80-H248 PolarHBondContact O-NE2 2.94Å; H248-G252 VanDerWaalsContact CB-O 3.27Å; H248-G252 WeakPolarHBondContact CB-O 3.22Å; H248-H253 PolarHBondContact CD2-N 2.94Å; H248-L254 VanDerWaalsContact CE1-CG 3.47Å; H248-L254 WeakPolarHBondContact CE1-CG 3.31Å
249T95.3Very high87.4Confident1 Ų150.1 Ų50.11%0.00629%0.288CS..  trans-132.4158.7-179.352.60000108.8I117 S121 T146 V200 R201 V203 L247 G251 G252I117-T249 HydrophobicContact CG2-CG2 4.47Å; S121-T249 WeakPolarHBondContact OG-CB 3.38Å; S121-T249 WeakPolarHBondContact OG-CG2 3.45Å; T146-T249 HydrophobicContact CG2-CG2 4.34Å; V200-T249 PolarHBondContact O-OG1 3.22Å; R201-T249 CarbonylContact C-O 3.52Å; R201-T249 VanDerWaalsContact CA-O 3.29Å; R201-T249 WeakPolarHBondContact CA-O 3.47Å; R201-T249 PolarHBondContact O-N 2.85Å; V203-T249 HydrophobicContact CG2-CG2 4.35Å; L247-T249 HydrophobicContact CD2-CG2 4.23Å; L247-T249 HydrophobicContact CG-CG2 4.19Å; T249-G251 VanDerWaalsContact C-N 3.29Å; T249-G251 PolarHBondContact O-N 3.4Å; T249-G251 VanDerWaalsContact O-N 3.14Å; T249-G252 PolarHBondContact O-N 3.38Å
250N96Very high85.2Confident35 Ų3551.2 Ų51.219%0.18729%0.287CS..THydrogen-bonded Turntrans4947.2176.5-62.9-52.7000112.7S121 P199 V200 R201 G252S121-N250 PolarHBondContact O-ND2 3.2Å; P199-N250 WeakPolarHBondContact CB-ND2 3.5Å; V200-N250 PolarHBondContact O-ND2 3.27Å; R201-N250 WeakPolarHBondContact CD-O 3.44Å; R201-N250 PolarHBondContact NH1-O 3.01Å; N250-G252 PolarHBondContact O-N 2.9Å; N250-G252 VanDerWaalsContact O-N 3.17Å
251G93.1Very high83.3Confident53 Ų5352.7 Ų52.755%0.54630%0.295SS..THydrogen-bonded Turntrans70.28.4178.900000116.5T249 H253T249-G251 VanDerWaalsContact C-N 3.29Å; T249-G251 PolarHBondContact O-N 3.4Å; T249-G251 VanDerWaalsContact O-N 3.14Å; G251-H253 PolarHBondContact O-ND1 2.9Å; G251-H253 VanDerWaalsContact O-ND1 3.15Å
252G94.5Very high81Confident11 Ų1153.2 Ų53.211%0.11330%0.298CS..  trans-53.9146.6163.300000111.1R201 H248 T249 N250R201-G252 WeakPolarHBondContact O-CA 3.4Å; H248-G252 VanDerWaalsContact CB-O 3.27Å; H248-G252 WeakPolarHBondContact CB-O 3.22Å; T249-G252 PolarHBondContact O-N 3.38Å; N250-G252 PolarHBondContact O-N 2.9Å; N250-G252 VanDerWaalsContact O-N 3.17Å
253H94Very high78.8Confident91 Ų9160.5 Ų60.542%0.42134%0.336SS..  trans-159.2170.517758.3-83.9000109.9L81 A82 F85 H248 G251L81-H253 CarbonylContact C-O 3.6Å; L81-H253 WeakPolarHBondContact CA-O 3.39Å; A82-H253 WeakPolarHBondContact CB-O 3.47Å; A82-H253 PolarHBondContact N-O 2.83Å; F85-H253 AromaticContact CE2-CE1 3.39Å; F85-H253 WeakPolarHBondContact CE2-CE1 3.39Å; F85-H253 AromaticContact CE2-ND1 3.47Å; F85-H253 WeakPolarHBondContact CE2-ND1 3.15Å; F85-H253 AromaticContact CE2-NE2 3.94Å; F85-H253 AromaticContact CZ-CE1 3.62Å; F85-H253 AromaticContact CZ-ND1 3.55Å; H248-H253 PolarHBondContact CD2-N 2.94Å; G251-H253 PolarHBondContact O-ND1 2.9Å; G251-H253 VanDerWaalsContact O-ND1 3.15Å
254L91.2Very high76.7Confident29 Ų2965.6 Ų65.615%0.15236%0.363CS..  trans-99154.4174.6-60.6173.2000110.7K79 L80 I224 L226 H248 C256 P258K79-L254 WeakPolarHBondContact O-CD2 3.34Å; L80-L254 WeakPolarHBondContact O-CD2 3.36Å; I224-L254 HydrophobicContact CD1-CD1 3.61Å; L226-L254 HydrophobicContact CD1-CD1 3.82Å; L226-L254 HydrophobicContact CD1-CD2 3.97Å; H248-L254 VanDerWaalsContact CE1-CG 3.47Å; H248-L254 WeakPolarHBondContact CE1-CG 3.31Å; L254-C256 VanDerWaalsContact C-N 3.29Å; L254-C256 WeakPolarHBondContact CB-O 3.48Å; L254-C256 PolarHBondContact O-N 2.96Å; L254-P258 HydrophobicContact CD1-CG 4.1Å
255D84.1Confident74.5Confident98 Ų9867 Ų6752%0.52437%0.371SS..SBendtrans-59-40.9175.3-71.6-53000111.9A82 S83A82-D255 WeakPolarHBondContact CA-OD1 3.15Å; A82-D255 HydrophobicContact CB-CB 4.5Å; A82-D255 WeakPolarHBondContact CB-OD1 3.47Å; S83-D255 WeakPolarHBondContact CB-OD2 3.16Å; S83-D255 PolarHBondContact N-OD1 3.27Å; S83-D255 PolarHBondContact N-OD2 3.37Å; S83-D255 PolarHBondContact OG-OD1 2.81Å; S83-D255 PolarHBondContact OG-OD2 3.22Å
256C73.2Confident72.3Confident102 Ų10271.7 Ų71.769%0.68940%0.396SS*.SBendtrans-139.5146.7176.6-67.60000108.9L254L254-C256 VanDerWaalsContact C-N 3.29Å; L254-C256 WeakPolarHBondContact CB-O 3.48Å; L254-C256 PolarHBondContact O-N 2.96Å
257K58.8Low70Confident195 Ų19580.3 Ų80.385%0.84843%0.43SS*.  trans-57.2129.6170-70.3-173.3179.2-177.90108.5I259K257-I259 PolarHBondContact O-N 3.13Å
258P57.7Low67.8Low49 Ų4982.9 Ų82.932%0.31844%0.442SS..  trans-58.7130.8179.820.7-28.5000108.7I224 L254 N260I224-P258 HydrophobicContact CD1-CG 4.49Å; L254-P258 HydrophobicContact CD1-CG 4.1Å; P258-N260 VanDerWaalsContact C-N 3.34Å; P258-N260 PolarHBondContact O-N 2.74Å
259I50.9Low65.7Low171 Ų17187.8 Ų87.888%0.87746%0.46SS*.  trans-66.997.7177.5-61.4172.6000107.1K257 C261K257-I259 PolarHBondContact O-N 3.13Å; I259-C261 PolarHBondContact O-N 3.08Å
260N47.1Very low63.6Low114 Ų11494.7 Ų94.761%0.6149%0.49SS*.  trans19.794.1161.3-115-14.3000116P258 N262P258-N260 VanDerWaalsContact C-N 3.34Å; P258-N260 PolarHBondContact O-N 2.74Å; N260-N262 HydrophobicContact CB-CB 4.38Å; N260-N262 PolarHBondContact O-N 2.75Å; N260-N262 WeakPolarHBondContact OD1-CB 3.47Å; N260-N262 PolarHBondContact OD1-ND2 2.97Å
261C51.7Low61.2Low55 Ų5598.9 Ų98.937%0.37251%0.513SS..THydrogen-bonded Turntrans-66.36.2159.4-58.20000113.1I259 L263 T265I259-C261 PolarHBondContact O-N 3.08Å; C261-L263 PolarHBondContact O-N 2.82Å; C261-T265 PolarHBondContact O-OG1 2.79Å
262N46.8Very low59.1Low80 Ų8097.2 Ų97.243%0.42849%0.491SS..Hα-helixtrans-73.8-15.9-169.4-98.9-37.9000116.5N260 N264 T265 L266N260-N262 HydrophobicContact CB-CB 4.38Å; N260-N262 PolarHBondContact O-N 2.75Å; N260-N262 WeakPolarHBondContact OD1-CB 3.47Å; N260-N262 PolarHBondContact OD1-ND2 2.97Å; N262-N264 VanDerWaalsContact C-N 3.29Å; N262-N264 PolarHBondContact O-N 3.1Å; N262-T265 WeakPolarHBondContact CA-OG1 3.34Å; N262-T265 PolarHBondContact O-N 2.93Å; N262-T265 VanDerWaalsContact O-N 3.16Å; N262-L266 PolarHBondContact O-N 2.91Å; N262-L266 VanDerWaalsContact O-N 3.14Å
263L48.5Very low57.2Low152 Ų152105.9 Ų105.980%0.79652%0.522SS*.Hα-helixtrans-64.5-34.8-174.8-83.7163.1000112.5C261C261-L263 PolarHBondContact O-N 2.82Å
264N47.9Very low55.5Low108 Ų108102.7 Ų102.758%0.57851%0.51SS*.Hα-helixtrans-85.7-24.4174.9-66-6.2000112.2N262 Y267 E268N262-N264 VanDerWaalsContact C-N 3.29Å; N262-N264 PolarHBondContact O-N 3.1Å; N264-Y267 PolarHBondContact O-N 2.87Å; N264-E268 WeakPolarHBondContact O-CG 3.2Å; N264-E268 PolarHBondContact O-N 2.86Å; N264-E268 VanDerWaalsContact O-N 3.07Å
265T49.9Very low53.9Low29 Ų29103.1 Ų103.118%0.17851%0.513CS..Hα-helixtrans-70.1-34-179-28.60000111.8C261 N262 Y269C261-T265 PolarHBondContact O-OG1 2.79Å; N262-T265 WeakPolarHBondContact CA-OG1 3.34Å; N262-T265 PolarHBondContact O-N 2.93Å; N262-T265 VanDerWaalsContact O-N 3.16Å; T265-Y269 WeakPolarHBondContact O-CA 3.5Å; T265-Y269 WeakPolarHBondContact O-CB 3.37Å; T265-Y269 PolarHBondContact O-N 2.85Å
266L48.3Very low52.8Low99 Ų99102.3 Ų102.352%0.51851%0.512SS..Hα-helixtrans-65.2-40.2175.4-98.4156.3000112.6N262 Y269 F270N262-L266 PolarHBondContact O-N 2.91Å; N262-L266 VanDerWaalsContact O-N 3.14Å; L266-Y269 WeakPolarHBondContact O-CB 3.2Å; L266-Y269 PolarHBondContact O-N 2.84Å; L266-F270 HydrophobicContact CD2-CE2 4.24Å; L266-F270 WeakPolarHBondContact O-CD2 3.42Å; L266-F270 PolarHBondContact O-N 2.84Å
267Y49.6Very low52.1Low182 Ų182100.6 Ų100.671%0.71450%0.5SS*.Hα-helixtrans-72.4-38178.5-165.4-99.1000111.8N264N264-Y267 PolarHBondContact O-N 2.87Å
268E49.9Very low52.4Low57 Ų5798.3 Ų98.327%0.26649%0.487SS..Hα-helixtrans-70.5-33.1171.9-70.6179.8165.100112.9H209 R215 N264 F270 N271 D272H209-E268 IonicContact NE2-OE1 3.09Å; H209-E268 IonicContact NE2-OE2 3.18Å; R215-E268 IonicContact NH1-OE2 2.69Å; R215-E268 PolarHBondContact NH1-OE2 2.86Å; N264-E268 WeakPolarHBondContact O-CG 3.2Å; N264-E268 PolarHBondContact O-N 2.86Å; N264-E268 VanDerWaalsContact O-N 3.07Å; E268-F270 PolarHBondContact O-N 2.65Å; E268-N271 PolarHBondContact O-N 3.2Å; E268-D272 PolarHBondContact O-N 3.02Å; E268-D272 VanDerWaalsContact O-N 3.13Å
269Y51Low52.9Low133 Ų133100.6 Ų100.652%0.52250%0.497SS..Hα-helixtrans-58.3-37.7176.8177.6-93.9000111.5T265 L266 V275T265-Y269 WeakPolarHBondContact O-CA 3.5Å; T265-Y269 WeakPolarHBondContact O-CB 3.37Å; T265-Y269 PolarHBondContact O-N 2.85Å; L266-Y269 WeakPolarHBondContact O-CB 3.2Å; L266-Y269 PolarHBondContact O-N 2.84Å; Y269-V275 VanDerWaalsContact O-CG2 3.31Å; Y269-V275 WeakPolarHBondContact O-CG2 3.31Å
270F52.1Low53.7Low146 Ų14699.3 Ų99.364%0.6448%0.48SS*.Hα-helixtrans-76.4-24.9175.3-74.2-65.6000113.9L266 E268L266-F270 HydrophobicContact CD2-CE2 4.24Å; L266-F270 WeakPolarHBondContact O-CD2 3.42Å; L266-F270 PolarHBondContact O-N 2.84Å; E268-F270 PolarHBondContact O-N 2.65Å
271N45.1Very low54.7Low123 Ų12399.9 Ų99.966%0.65847%0.474SS*.Hα-helixtrans-100.8-1.7-170.4-138.53.7000114.2E268E268-N271 PolarHBondContact O-N 3.2Å
272D48.3Very low55.6Low18 Ų18100.5 Ų100.510%0.09647%0.473CS..  trans-73.9134.1-177.3-168.89.5000111.7L212 R216 E268 S274 V275 V276L212-D272 HydrophobicContact CD1-CB 3.69Å; R216-D272 IonicContact CZ-OD2 2.74Å; R216-D272 IonicContact NH1-OD2 2.98Å; R216-D272 PolarHBondContact NH1-OD2 2.88Å; R216-D272 IonicContact NH2-OD2 3.32Å; R216-D272 PolarHBondContact NH2-OD2 2.84Å; R216-D272 VanDerWaalsContact NH2-OD2 3.09Å; E268-D272 PolarHBondContact O-N 3.02Å; E268-D272 VanDerWaalsContact O-N 3.13Å; D272-S274 PolarHBondContact O-N 2.94Å; D272-S274 WeakPolarHBondContact OD2-CB 3.42Å; D272-S274 PolarHBondContact OD2-OG 2.96Å; D272-V275 PolarHBondContact O-N 3.01Å; D272-V276 PolarHBondContact O-N 3.48Å
273Y54.3Low56.7Low192 Ų192102 Ų10275%0.75348%0.479SS*.Hα-helixtrans-51-23.7174.2-96.1-95.2000112.2V276 C277Y273-V276 CarbonylContact O-C 3.48Å; Y273-V276 PolarHBondContact O-N 3.36Å; Y273-C277 VanDerWaalsContact O-CB 3.32Å; Y273-C277 WeakPolarHBondContact O-CB 3.23Å; Y273-C277 PolarHBondContact O-N 2.85Å; Y273-C277 PolarHBondContact O-SG 3.06Å
274S58.8Low57.5Low24 Ų24101.6 Ų101.617%0.16847%0.467CS..Hα-helixtrans-64.8-38.817368.20000113.9R216 D272 C277 Y278R216-S274 PolarHBondContact NH1-OG 3.21Å; D272-S274 PolarHBondContact O-N 2.94Å; D272-S274 WeakPolarHBondContact OD2-CB 3.42Å; D272-S274 PolarHBondContact OD2-OG 2.96Å; S274-C277 CarbonylContact O-C 3.4Å; S274-C277 WeakPolarHBondContact O-CB 3.4Å; S274-C277 PolarHBondContact O-N 3.07Å; S274-Y278 WeakPolarHBondContact O-CB 3.31Å; S274-Y278 PolarHBondContact O-N 3.18Å
275V57.1Low58.4Low38 Ų38100 Ų10023%0.2346%0.458CS..Hα-helixtrans-73.5-35.4172.9177.60000110Y269 D272 C277 Y278 L279Y269-V275 VanDerWaalsContact O-CG2 3.31Å; Y269-V275 WeakPolarHBondContact O-CG2 3.31Å; D272-V275 PolarHBondContact O-N 3.01Å; V275-C277 VanDerWaalsContact C-N 3.26Å; V275-C277 PolarHBondContact O-N 2.85Å; V275-Y278 CarbonylContact O-C 3.58Å; V275-Y278 PolarHBondContact O-N 3.33Å; V275-L279 HydrophobicContact CG1-CD1 3.81Å; V275-L279 HydrophobicContact CG1-CG 4.01Å; V275-L279 WeakPolarHBondContact O-CA 3.19Å; V275-L279 WeakPolarHBondContact O-CB 3.11Å; V275-L279 VanDerWaalsContact O-CG 3.24Å; V275-L279 WeakPolarHBondContact O-CG 3.36Å; V275-L279 PolarHBondContact O-N 3.43Å
276V62.5Low59.2Low82 Ų82105 Ų10550%0.49748%0.478SS..Hα-helixtrans-62.3-37.1169.2-179.20000110.6D272 Y273 R280D272-V276 PolarHBondContact O-N 3.48Å; Y273-V276 CarbonylContact O-C 3.48Å; Y273-V276 PolarHBondContact O-N 3.36Å; V276-R280 WeakPolarHBondContact O-CA 3.4Å; V276-R280 WeakPolarHBondContact O-CB 3.31Å; V276-R280 PolarHBondContact O-N 3.15Å
277C58.6Low60.2Low65 Ų65103.1 Ų103.144%0.43947%0.473SS..Hα-helixtrans-70.6-37.3174.2-71.10000112.2Y273 S274 V275 R280 W281Y273-C277 VanDerWaalsContact O-CB 3.32Å; Y273-C277 WeakPolarHBondContact O-CB 3.23Å; Y273-C277 PolarHBondContact O-N 2.85Å; Y273-C277 PolarHBondContact O-SG 3.06Å; S274-C277 CarbonylContact O-C 3.4Å; S274-C277 WeakPolarHBondContact O-CB 3.4Å; S274-C277 PolarHBondContact O-N 3.07Å; V275-C277 VanDerWaalsContact C-N 3.26Å; V275-C277 PolarHBondContact O-N 2.85Å; C277-R280 CarbonylContact O-C 3.59Å; C277-R280 PolarHBondContact O-N 3.46Å; C277-W281 VanDerWaalsContact O-CB 3.23Å; C277-W281 WeakPolarHBondContact O-CB 3.15Å; C277-W281 PolarHBondContact O-N 3.3Å
278Y64.2Low60.8Low148 Ų148101.3 Ų101.358%0.5847%0.471SS*.Hα-helixtrans-74-39.8177.7-134.5-87.6000111.3S274 V275 W281 M282S274-Y278 WeakPolarHBondContact O-CB 3.31Å; S274-Y278 PolarHBondContact O-N 3.18Å; V275-Y278 CarbonylContact O-C 3.58Å; V275-Y278 PolarHBondContact O-N 3.33Å; Y278-W281 AromaticContact CD1-CE3 3.98Å; Y278-W281 HydrophobicContact CD1-CE3 3.98Å; Y278-W281 HydrophobicContact CD1-CZ3 4.31Å; Y278-W281 AromaticContact CE1-CE3 3.75Å; Y278-W281 HydrophobicContact CE1-CE3 3.75Å; Y278-W281 AromaticContact CE1-CZ3 3.64Å; Y278-W281 HydrophobicContact CE1-CZ3 3.64Å; Y278-W281 CarbonylContact O-C 3.54Å; Y278-W281 PolarHBondContact O-N 2.85Å; Y278-M282 HydrophobicContact CD1-CG 4.16Å; Y278-M282 VanDerWaalsContact O-CB 3.27Å; Y278-M282 WeakPolarHBondContact O-CB 3.47Å; Y278-M282 WeakPolarHBondContact O-CG 3.42Å; Y278-M282 PolarHBondContact O-N 3.22Å
279L68.1Low61.5Low97 Ų97100.7 Ų100.751%0.50847%0.473SS..Hα-helixtrans-63.7-42.3168.5-75.7169.7000109.7V275 W281 M282 I283V275-L279 HydrophobicContact CG1-CD1 3.81Å; V275-L279 HydrophobicContact CG1-CG 4.01Å; V275-L279 WeakPolarHBondContact O-CA 3.19Å; V275-L279 WeakPolarHBondContact O-CB 3.11Å; V275-L279 VanDerWaalsContact O-CG 3.24Å; V275-L279 WeakPolarHBondContact O-CG 3.36Å; V275-L279 PolarHBondContact O-N 3.43Å; L279-W281 VanDerWaalsContact C-N 3.3Å; L279-W281 PolarHBondContact O-N 2.82Å; L279-M282 PolarHBondContact O-N 3.41Å; L279-I283 WeakPolarHBondContact O-CA 3.4Å; L279-I283 WeakPolarHBondContact O-CB 3.34Å; L279-I283 WeakPolarHBondContact O-CD1 3.27Å; L279-I283 WeakPolarHBondContact O-CG1 3.46Å; L279-I283 PolarHBondContact O-N 3.39Å
280R67.4Low62.1Low143 Ų14395.3 Ų95.354%0.5446%0.458SS..Hα-helixtrans-66.1-34174.5-167.7163.279.1142.70.1111.9V276 C277 R284V276-R280 WeakPolarHBondContact O-CA 3.4Å; V276-R280 WeakPolarHBondContact O-CB 3.31Å; V276-R280 PolarHBondContact O-N 3.15Å; C277-R280 CarbonylContact O-C 3.59Å; C277-R280 PolarHBondContact O-N 3.46Å; R280-R284 VanDerWaalsContact O-CB 3.3Å; R280-R284 WeakPolarHBondContact O-CB 3.41Å; R280-R284 VanDerWaalsContact O-CG 3.26Å; R280-R284 WeakPolarHBondContact O-CG 3.31Å; R280-R284 PolarHBondContact O-N 2.76Å
281W67.5Low62.7Low126 Ų12697.1 Ų97.148%0.47746%0.462SS..Hα-helixtrans-70.5-43.8172.8178.778.5000111.6C277 Y278 L279 R284 L285C277-W281 VanDerWaalsContact O-CB 3.23Å; C277-W281 WeakPolarHBondContact O-CB 3.15Å; C277-W281 PolarHBondContact O-N 3.3Å; Y278-W281 AromaticContact CD1-CE3 3.98Å; Y278-W281 HydrophobicContact CD1-CE3 3.98Å; Y278-W281 HydrophobicContact CD1-CZ3 4.31Å; Y278-W281 AromaticContact CE1-CE3 3.75Å; Y278-W281 HydrophobicContact CE1-CE3 3.75Å; Y278-W281 AromaticContact CE1-CZ3 3.64Å; Y278-W281 HydrophobicContact CE1-CZ3 3.64Å; Y278-W281 CarbonylContact O-C 3.54Å; Y278-W281 PolarHBondContact O-N 2.85Å; L279-W281 VanDerWaalsContact C-N 3.3Å; L279-W281 PolarHBondContact O-N 2.82Å; W281-R284 CarbonylContact O-C 3.49Å; W281-R284 WeakPolarHBondContact O-CA 3.27Å; W281-R284 WeakPolarHBondContact O-CB 3.34Å; W281-R284 PolarHBondContact O-N 2.91Å; W281-R284 VanDerWaalsContact O-N 3.14Å; W281-L285 HydrophobicContact CD2-CD1 3.76Å; W281-L285 HydrophobicContact CD2-CG 4.17Å; W281-L285 HydrophobicContact CE3-CD1 3.59Å; W281-L285 HydrophobicContact CE3-CG 4.44Å; W281-L285 HydrophobicContact CH2-CD1 3.31Å; W281-L285 HydrophobicContact CH2-CG 4.42Å; W281-L285 HydrophobicContact CZ2-CD1 3.46Å; W281-L285 VanDerWaalsContact CZ2-CD1 3.46Å; W281-L285 HydrophobicContact CZ2-CD2 4.31Å; W281-L285 HydrophobicContact CZ2-CG 4.12Å; W281-L285 HydrophobicContact CZ3-CD1 3.35Å; W281-L285 WeakPolarHBondContact O-CG 3.21Å; W281-L285 PolarHBondContact O-N 2.88Å
282M70.8Confident63.5Low69 Ų6995.2 Ų95.234%0.3446%0.455SS..Hα-helixtrans-65.3-44174.6-73.2-69.4-85.800110.9Y278 L279 R284 L285 F286Y278-M282 HydrophobicContact CD1-CG 4.16Å; Y278-M282 VanDerWaalsContact O-CB 3.27Å; Y278-M282 WeakPolarHBondContact O-CB 3.47Å; Y278-M282 WeakPolarHBondContact O-CG 3.42Å; Y278-M282 PolarHBondContact O-N 3.22Å; L279-M282 PolarHBondContact O-N 3.41Å; M282-R284 VanDerWaalsContact C-N 3.25Å; M282-R284 PolarHBondContact O-N 3.33Å; M282-L285 CarbonylContact O-C 3.58Å; M282-L285 WeakPolarHBondContact O-CB 3.38Å; M282-L285 PolarHBondContact O-N 3.18Å; M282-L285 VanDerWaalsContact O-N 3.17Å; M282-L285 HydrophobicContact SD-CD1 4Å; M282-F286 HydrophobicContact CB-CD2 4.33Å; M282-F286 HydrophobicContact CB-CE2 4.35Å; M282-F286 HydrophobicContact CE-CE2 3.61Å; M282-F286 HydrophobicContact CE-CZ 4.12Å; M282-F286 WeakPolarHBondContact O-CB 3.33Å; M282-F286 WeakPolarHBondContact O-CD2 3.43Å; M282-F286 WeakPolarHBondContact O-CG 3.06Å; M282-F286 PolarHBondContact O-N 2.69Å; M282-F286 HydrophobicContact SD-CE2 4.35Å
283I71.7Confident64.5Low111 Ų11198.8 Ų98.857%0.56947%0.473SS*.Hα-helixtrans-60.4-37.8171.8-70.3162.7000109.8L279 S287L279-I283 WeakPolarHBondContact O-CA 3.4Å; L279-I283 WeakPolarHBondContact O-CB 3.34Å; L279-I283 WeakPolarHBondContact O-CD1 3.27Å; L279-I283 WeakPolarHBondContact O-CG1 3.46Å; L279-I283 PolarHBondContact O-N 3.39Å; I283-S287 WeakPolarHBondContact O-CA 3.4Å; I283-S287 WeakPolarHBondContact O-CB 3.43Å; I283-S287 PolarHBondContact O-N 3.1Å; I283-S287 PolarHBondContact O-OG 3.11Å
284R65.2Low65Low143 Ų14395 Ų9554%0.5447%0.465SS..Hα-helixtrans-68.5-42.1172.1-83.3-178.5164.9144.8-1.7112.8R280 W281 M282 S287 Q288R280-R284 VanDerWaalsContact O-CB 3.3Å; R280-R284 WeakPolarHBondContact O-CB 3.41Å; R280-R284 VanDerWaalsContact O-CG 3.26Å; R280-R284 WeakPolarHBondContact O-CG 3.31Å; R280-R284 PolarHBondContact O-N 2.76Å; W281-R284 CarbonylContact O-C 3.49Å; W281-R284 WeakPolarHBondContact O-CA 3.27Å; W281-R284 WeakPolarHBondContact O-CB 3.34Å; W281-R284 PolarHBondContact O-N 2.91Å; W281-R284 VanDerWaalsContact O-N 3.14Å; M282-R284 VanDerWaalsContact C-N 3.25Å; M282-R284 PolarHBondContact O-N 3.33Å; R284-S287 WeakPolarHBondContact CA-OG 3.39Å; R284-S287 PolarHBondContact O-N 2.88Å; R284-S287 PolarHBondContact O-OG 3.27Å; R284-Q288 WeakPolarHBondContact O-CB 3.21Å; R284-Q288 PolarHBondContact O-N 3.39Å
285L65.9Low65.2Low75 Ų75101.2 Ų101.239%0.39349%0.486SS..Hα-helixtrans-61.5-45.4174.6-78.5176.4000111W281 M282 S289W281-L285 HydrophobicContact CD2-CD1 3.76Å; W281-L285 HydrophobicContact CD2-CG 4.17Å; W281-L285 HydrophobicContact CE3-CD1 3.59Å; W281-L285 HydrophobicContact CE3-CG 4.44Å; W281-L285 HydrophobicContact CH2-CD1 3.31Å; W281-L285 HydrophobicContact CH2-CG 4.42Å; W281-L285 HydrophobicContact CZ2-CD1 3.46Å; W281-L285 VanDerWaalsContact CZ2-CD1 3.46Å; W281-L285 HydrophobicContact CZ2-CD2 4.31Å; W281-L285 HydrophobicContact CZ2-CG 4.12Å; W281-L285 HydrophobicContact CZ3-CD1 3.35Å; W281-L285 WeakPolarHBondContact O-CG 3.21Å; W281-L285 PolarHBondContact O-N 2.88Å; M282-L285 CarbonylContact O-C 3.58Å; M282-L285 WeakPolarHBondContact O-CB 3.38Å; M282-L285 PolarHBondContact O-N 3.18Å; M282-L285 VanDerWaalsContact O-N 3.17Å; M282-L285 HydrophobicContact SD-CD1 4Å; L285-S289 WeakPolarHBondContact O-CB 3.23Å; L285-S289 PolarHBondContact O-N 3.38Å; L285-S289 PolarHBondContact O-OG 2.79Å
286F66.9Low65.3Low135 Ų135106.8 Ų106.859%0.59251%0.507SS*.Hα-helixtrans-74.8-28.6178-71.3-60.8000113M282 S289 G290M282-F286 HydrophobicContact CB-CD2 4.33Å; M282-F286 HydrophobicContact CB-CE2 4.35Å; M282-F286 HydrophobicContact CE-CE2 3.61Å; M282-F286 HydrophobicContact CE-CZ 4.12Å; M282-F286 WeakPolarHBondContact O-CB 3.33Å; M282-F286 WeakPolarHBondContact O-CD2 3.43Å; M282-F286 WeakPolarHBondContact O-CG 3.06Å; M282-F286 PolarHBondContact O-N 2.69Å; M282-F286 HydrophobicContact SD-CE2 4.35Å; F286-S289 VanDerWaalsContact CA-OG 3.3Å; F286-S289 WeakPolarHBondContact CA-OG 3.49Å; F286-S289 PolarHBondContact O-OG 3.12Å; F286-G290 WeakPolarHBondContact O-CA 3.41Å; F286-G290 PolarHBondContact O-N 3.44Å
287S68.8Low65.6Low58 Ų58107.9 Ų107.941%0.40651%0.51SS..Hα-helixtrans-77-34.4172.671.60000111.5I283 R284 Y291I283-S287 WeakPolarHBondContact O-CA 3.4Å; I283-S287 WeakPolarHBondContact O-CB 3.43Å; I283-S287 PolarHBondContact O-N 3.1Å; I283-S287 PolarHBondContact O-OG 3.11Å; R284-S287 WeakPolarHBondContact CA-OG 3.39Å; R284-S287 PolarHBondContact O-N 2.88Å; R284-S287 PolarHBondContact O-OG 3.27Å; S287-Y291 WeakPolarHBondContact O-CB 3.26Å; S287-Y291 WeakPolarHBondContact O-CD2 3.19Å; S287-Y291 PolarHBondContact O-N 3.04Å
288Q63.4Low65.9Low144 Ų144114.2 Ų114.267%0.67352%0.524SS*.Hα-helixtrans-79-39.4178.4-162.1154.4-3.600112R284 T292R284-Q288 WeakPolarHBondContact O-CB 3.21Å; R284-Q288 PolarHBondContact O-N 3.39Å; Q288-T292 PolarHBondContact O-N 2.97Å; Q288-T292 PolarHBondContact O-OG1 3.32Å
289S63.9Low65.7Low44 Ų44115.6 Ų115.631%0.30853%0.528SS..Hα-helixtrans-70.4-36.9167.261.20000111.7L285 F286 Y291 T292 I293L285-S289 WeakPolarHBondContact O-CB 3.23Å; L285-S289 PolarHBondContact O-N 3.38Å; L285-S289 PolarHBondContact O-OG 2.79Å; F286-S289 VanDerWaalsContact CA-OG 3.3Å; F286-S289 WeakPolarHBondContact CA-OG 3.49Å; F286-S289 PolarHBondContact O-OG 3.12Å; S289-Y291 PolarHBondContact O-N 2.86Å; S289-T292 WeakPolarHBondContact CA-OG1 3.37Å; S289-T292 PolarHBondContact O-N 3.12Å; S289-T292 PolarHBondContact O-OG1 2.9Å; S289-I293 WeakPolarHBondContact O-CB 3.27Å; S289-I293 WeakPolarHBondContact O-CD1 3.35Å; S289-I293 VanDerWaalsContact O-CG1 3.22Å; S289-I293 WeakPolarHBondContact O-CG1 3.39Å; S289-I293 PolarHBondContact O-N 2.93Å
290G64.4Low65.7Low20 Ų20117.6 Ų117.621%0.20653%0.533CS..Hα-helixtrans-63.1-40.817400000112.4F286 T292 I293 L294F286-G290 WeakPolarHBondContact O-CA 3.41Å; F286-G290 PolarHBondContact O-N 3.44Å; G290-T292 PolarHBondContact O-N 3.5Å; G290-I293 PolarHBondContact O-N 3.48Å; G290-L294 WeakPolarHBondContact O-CB 3.44Å; G290-L294 VanDerWaalsContact O-CG 3.23Å; G290-L294 WeakPolarHBondContact O-CG 3.37Å; G290-L294 PolarHBondContact O-N 3.47Å
291Y63.3Low65.4Low184 Ų184113.4 Ų113.472%0.72253%0.526SS*.Hα-helixtrans-63.5-39.4173.6-107.9-88.6000112.1S287 S289 Y295S287-Y291 WeakPolarHBondContact O-CB 3.26Å; S287-Y291 WeakPolarHBondContact O-CD2 3.19Å; S287-Y291 PolarHBondContact O-N 3.04Å; S289-Y291 PolarHBondContact O-N 2.86Å; Y291-Y295 WeakPolarHBondContact O-CB 3.26Å; Y291-Y295 PolarHBondContact O-N 2.97Å
292T62.3Low65Low83 Ų83113.4 Ų113.451%0.50953%0.531SS..Hα-helixtrans-71.8-36.6176.548.80000112.2Q288 S289 G290 K296Q288-T292 PolarHBondContact O-N 2.97Å; Q288-T292 PolarHBondContact O-OG1 3.32Å; S289-T292 WeakPolarHBondContact CA-OG1 3.37Å; S289-T292 PolarHBondContact O-N 3.12Å; S289-T292 PolarHBondContact O-OG1 2.9Å; G290-T292 PolarHBondContact O-N 3.5Å; T292-K296 WeakPolarHBondContact O-CB 3.33Å; T292-K296 VanDerWaalsContact O-CG 3.32Å; T292-K296 WeakPolarHBondContact O-CG 3.44Å; T292-K296 PolarHBondContact O-N 2.97Å
293I69.2Low64.1Low94 Ų94119 Ų11948%0.48255%0.549SS..Hα-helixtrans-68.1-45.1173.6-69.4163.2000110.8S289 G290 K296 L297S289-I293 WeakPolarHBondContact O-CB 3.27Å; S289-I293 WeakPolarHBondContact O-CD1 3.35Å; S289-I293 VanDerWaalsContact O-CG1 3.22Å; S289-I293 WeakPolarHBondContact O-CG1 3.39Å; S289-I293 PolarHBondContact O-N 2.93Å; G290-I293 PolarHBondContact O-N 3.48Å; I293-K296 CarbonylContact O-C 3.51Å; I293-K296 PolarHBondContact O-N 3.32Å; I293-L297 HydrophobicContact CG2-CD1 3.79Å; I293-L297 HydrophobicContact CG2-CG 4.35Å; I293-L297 WeakPolarHBondContact O-CB 3.17Å; I293-L297 WeakPolarHBondContact O-CG 3.27Å; I293-L297 PolarHBondContact O-N 2.59Å
294L65.9Low63.3Low113 Ų113119.1 Ų119.159%0.59255%0.551SS**Hα-helixtrans-65-37.6175.1-75.7169.1000111.7G290 L297 R298G290-L294 WeakPolarHBondContact O-CB 3.44Å; G290-L294 VanDerWaalsContact O-CG 3.23Å; G290-L294 WeakPolarHBondContact O-CG 3.37Å; G290-L294 PolarHBondContact O-N 3.47Å; L294-L297 PolarHBondContact O-N 3.41Å; L294-R298 WeakPolarHBondContact O-CB 3.36Å; L294-R298 PolarHBondContact O-N 2.89Å
295Y61.3Low62.7Low154 Ų154121.8 Ų121.860%0.60456%0.562SS**Hα-helixtrans-64.7-41.7173.1-176.5-95000111.3Y291 R299Y291-Y295 WeakPolarHBondContact O-CB 3.26Å; Y291-Y295 PolarHBondContact O-N 2.97Å; Y295-R299 VanDerWaalsContact O-CB 3.28Å; Y295-R299 WeakPolarHBondContact O-CB 3.43Å; Y295-R299 PolarHBondContact O-N 3.27Å
296K59.4Low61.7Low155 Ų155123.6 Ų123.667%0.67457%0.573SS**Hα-helixtrans-65.1-44.1173.9-76.5-178.7178.9-175.20112.2T292 I293 R299 F300T292-K296 WeakPolarHBondContact O-CB 3.33Å; T292-K296 VanDerWaalsContact O-CG 3.32Å; T292-K296 WeakPolarHBondContact O-CG 3.44Å; T292-K296 PolarHBondContact O-N 2.97Å; I293-K296 CarbonylContact O-C 3.51Å; I293-K296 PolarHBondContact O-N 3.32Å; K296-R299 PolarHBondContact O-N 3.36Å; K296-F300 VanDerWaalsContact O-CB 3.32Å; K296-F300 WeakPolarHBondContact O-CB 3.2Å; K296-F300 PolarHBondContact O-N 3.24Å
297L69.2Low60.5Low105 Ų105121.1 Ų121.155%0.5557%0.569SS.*Hα-helixtrans-66.5-39.5176.8-74.6168.4000112.1I293 L294 F300 S301I293-L297 HydrophobicContact CG2-CD1 3.79Å; I293-L297 HydrophobicContact CG2-CG 4.35Å; I293-L297 WeakPolarHBondContact O-CB 3.17Å; I293-L297 WeakPolarHBondContact O-CG 3.27Å; I293-L297 PolarHBondContact O-N 2.59Å; L294-L297 PolarHBondContact O-N 3.41Å; L297-F300 PolarHBondContact O-N 2.85Å; L297-S301 VanDerWaalsContact O-CB 3.27Å; L297-S301 WeakPolarHBondContact O-CB 3.39Å; L297-S301 PolarHBondContact O-N 3.42Å
298R65.2Low59.2Low198 Ų198122.6 Ų122.675%0.74758%0.577SS**Hα-helixtrans-64.7-41.7174.1-174.7176.2-178.3175.80.7111.1L294 S301 H302L294-R298 WeakPolarHBondContact O-CB 3.36Å; L294-R298 PolarHBondContact O-N 2.89Å; R298-S301 PolarHBondContact O-N 3.1Å; R298-H302 PolarHBondContact O-N 3.37Å
299R61Low58.4Low177 Ų177120.8 Ų120.867%0.66858%0.58SS**Hα-helixtrans-65.7-37.8173.7-172.7174.5174.4174.7-2.3111.9Y295 K296 H302 Y303Y295-R299 VanDerWaalsContact O-CB 3.28Å; Y295-R299 WeakPolarHBondContact O-CB 3.43Å; Y295-R299 PolarHBondContact O-N 3.27Å; K296-R299 PolarHBondContact O-N 3.36Å; R299-H302 PolarHBondContact O-N 3.38Å; R299-Y303 PolarHBondContact O-N 2.6Å; R299-Y303 VanDerWaalsContact O-N 3.17Å
300F66.7Low57.5Low138 Ų138123.3 Ų123.361%0.60559%0.594SS**Hα-helixtrans-69.9-39.6176-153.4-93.4000112K296 L297 H302 Y303 L304K296-F300 VanDerWaalsContact O-CB 3.32Å; K296-F300 WeakPolarHBondContact O-CB 3.2Å; K296-F300 PolarHBondContact O-N 3.24Å; L297-F300 PolarHBondContact O-N 2.85Å; F300-H302 VanDerWaalsContact C-N 3.34Å; F300-H302 PolarHBondContact O-N 3.05Å; F300-Y303 WeakPolarHBondContact O-CA 3.48Å; F300-Y303 VanDerWaalsContact O-CB 3.27Å; F300-Y303 WeakPolarHBondContact O-CB 3.46Å; F300-Y303 PolarHBondContact O-N 3.18Å; F300-Y303 VanDerWaalsContact O-N 3.13Å; F300-L304 HydrophobicContact CD1-CD1 3.85Å; F300-L304 HydrophobicContact CD1-CG 4.22Å; F300-L304 HydrophobicContact CE1-CD1 4.05Å; F300-L304 HydrophobicContact CE1-CG 4.33Å; F300-L304 WeakPolarHBondContact O-CG 2.96Å; F300-L304 PolarHBondContact O-N 3.15Å
301S62.3Low56.7Low56 Ų56130.6 Ų130.639%0.39262%0.62SS.*Hα-helixtrans-62.6-39.5174.1169.40000111.8L297 R298 Y303 L304 Y305L297-S301 VanDerWaalsContact O-CB 3.27Å; L297-S301 WeakPolarHBondContact O-CB 3.39Å; L297-S301 PolarHBondContact O-N 3.42Å; R298-S301 PolarHBondContact O-N 3.1Å; S301-Y303 VanDerWaalsContact C-N 3.31Å; S301-Y303 PolarHBondContact O-N 2.85Å; S301-L304 PolarHBondContact O-N 3.47Å; S301-Y305 PolarHBondContact O-N 3.1Å
302H57.8Low55.9Low126 Ų126128.2 Ų128.258%0.58362%0.619SS**Hα-helixtrans-64.3-38172.9-142.3-72.3000111.6R298 R299 F300 L304 Y305 D306R298-H302 PolarHBondContact O-N 3.37Å; R299-H302 PolarHBondContact O-N 3.38Å; F300-H302 VanDerWaalsContact C-N 3.34Å; F300-H302 PolarHBondContact O-N 3.05Å; H302-L304 VanDerWaalsContact C-N 3.3Å; H302-L304 PolarHBondContact O-N 3.27Å; H302-Y305 PolarHBondContact O-N 3.22Å; H302-D306 IonicContact CE1-OD2 2.72Å; H302-D306 PolarHBondContact CE1-OD2 2.86Å; H302-D306 IonicContact ND1-OD2 2.75Å; H302-D306 PolarHBondContact ND1-OD2 3.4Å; H302-D306 PolarHBondContact O-N 3.34Å
303Y51.8Low55Low185 Ų185131.4 Ų131.473%0.72563%0.628SS**Hα-helixtrans-62.8-37.2174.6-137-88.1000112.3R299 F300 S301 T307R299-Y303 PolarHBondContact O-N 2.6Å; R299-Y303 VanDerWaalsContact O-N 3.17Å; F300-Y303 WeakPolarHBondContact O-CA 3.48Å; F300-Y303 VanDerWaalsContact O-CB 3.27Å; F300-Y303 WeakPolarHBondContact O-CB 3.46Å; F300-Y303 PolarHBondContact O-N 3.18Å; F300-Y303 VanDerWaalsContact O-N 3.13Å; S301-Y303 VanDerWaalsContact C-N 3.31Å; S301-Y303 PolarHBondContact O-N 2.85Å; Y303-T307 PolarHBondContact O-N 3.33Å; Y303-T307 PolarHBondContact O-OG1 2.82Å
304L55.4Low53.7Low114 Ų114130.1 Ų130.160%0.59763%0.627SS**Hα-helixtrans-75.1-29177-69.2172.3000113F300 S301 H302F300-L304 HydrophobicContact CD1-CD1 3.85Å; F300-L304 HydrophobicContact CD1-CG 4.22Å; F300-L304 HydrophobicContact CE1-CD1 4.05Å; F300-L304 HydrophobicContact CE1-CG 4.33Å; F300-L304 WeakPolarHBondContact O-CG 2.96Å; F300-L304 PolarHBondContact O-N 3.15Å; S301-L304 PolarHBondContact O-N 3.47Å; H302-L304 VanDerWaalsContact C-N 3.3Å; H302-L304 PolarHBondContact O-N 3.27Å
305Y51.9Low52.6Low200 Ų200132.6 Ų132.678%0.78463%0.63SS**Hα-helixtrans-80.4-31.1175.4-97.5-86.1000113.3S301 H302 T307S301-Y305 PolarHBondContact O-N 3.1Å; H302-Y305 PolarHBondContact O-N 3.22Å; Y305-T307 VanDerWaalsContact C-N 3.32Å
306D46.3Very low52.1Low113 Ų113130.7 Ų130.760%0.60463%0.629SS**SBendtrans-87.35.8175.9-81.2-37.1000113.8H302 P308H302-D306 IonicContact CE1-OD2 2.72Å; H302-D306 PolarHBondContact CE1-OD2 2.86Å; H302-D306 IonicContact ND1-OD2 2.75Å; H302-D306 PolarHBondContact ND1-OD2 3.4Å; H302-D306 PolarHBondContact O-N 3.34Å; D306-P308 VanDerWaalsContact O-CD 3.22Å; D306-P308 WeakPolarHBondContact O-CD 3.28Å
307T40.7Very low51.5Low83 Ų83129.9 Ų129.951%0.50963%0.627SS.*SBendtrans-80.5109.3169-48.30000108.5Y303 Y305Y303-T307 PolarHBondContact O-N 3.33Å; Y303-T307 PolarHBondContact O-OG1 2.82Å; Y305-T307 VanDerWaalsContact C-N 3.32Å
308P41Very low50.4Low89 Ų89129.2 Ų129.258%0.57862%0.624SS**  trans-67.4149.3-168.1-15.630.2000111.5D306 T310D306-P308 VanDerWaalsContact O-CD 3.22Å; D306-P308 WeakPolarHBondContact O-CD 3.28Å; P308-T310 PolarHBondContact O-N 3.41Å; P308-T310 PolarHBondContact O-OG1 3.06Å
309S47.9Very low49.3Very low106 Ų106124 Ų12474%0.74161%0.611SS**THydrogen-bonded Turntrans-52.328.3176.748.60000117.6
310T45.7Very low48.4Very low97 Ų97123.3 Ų123.360%0.59562%0.615SS**Hα-helixtrans-81.6-21.8-179.351.90000113.7P308P308-T310 PolarHBondContact O-N 3.41Å; P308-T310 PolarHBondContact O-OG1 3.06Å
311F46.8Very low47.3Very low172 Ų172124.7 Ų124.775%0.75462%0.621SS**Hα-helixtrans-82.7-32.5-178.8-86-84.7000114.6H313F311-H313 VanDerWaalsContact C-N 3.34Å; F311-H313 PolarHBondContact O-N 3.26Å
312L46.3Very low46.2Very low134 Ų134128.8 Ų128.870%0.70263%0.634SS**Hα-helixtrans-72.2-27.4180-92.2157.5000112.9
313H42.7Very low45.2Very low151 Ų151130.9 Ų130.970%0.69964%0.644SS**Hα-helixtrans-77.2-23.9179.8-134.4-68.3000113.6F311F311-H313 VanDerWaalsContact C-N 3.34Å; F311-H313 PolarHBondContact O-N 3.26Å
314S42.6Very low44.3Very low66 Ų66132.5 Ų132.546%0.46265%0.65SS.*Hα-helixtrans-73.8-35.9174.7168.60000112.1N318S314-N318 PolarHBondContact O-ND2 3.23Å
315Y42.4Very low43.5Very low166 Ų166133.6 Ų133.665%0.65166%0.656SS**Hα-helixtrans-77.2-34.1-174-144.1-97.3000113.2H317Y315-H317 VanDerWaalsContact C-N 3.35Å
316I52Low42.8Very low113 Ų113130.6 Ų130.658%0.57965%0.653SS**Hα-helixtrans-70.9-33.1178.6-63.9173.8000111.2
317H46.7Very low42.2Very low138 Ų138133.6 Ų133.664%0.63966%0.663SS**Hα-helixtrans-75.2-25.9-178.6-159.4-80.2000113.4Y315Y315-H317 VanDerWaalsContact C-N 3.35Å
318N44.4Very low41.8Very low92 Ų92138 Ų13849%0.49268%0.682SS.*Hα-helixtrans-82.3-31.6-179.9-75.3-30.8000113.2S314 K321S314-N318 PolarHBondContact O-ND2 3.23Å; N318-K321 PolarHBondContact O-N 3.09Å
319N43.4Very low41.2Very low88 Ų88138.8 Ų138.847%0.47169%0.688SS.*Hα-helixtrans-78.7-24.5-177.4-77.3-22.2000114.5K321 Q322N319-K321 PolarHBondContact O-N 2.9Å; N319-Q322 PolarHBondContact O-N 3.11Å
320Q42.8Very low40.2Very low163 Ų163143.4 Ų143.476%0.76270%0.695SS**THydrogen-bonded Turntrans-72.9-14.9174.5-71.1-157.5-32.800113.7
321K42.2Very low39.3Very low166 Ų166143.6 Ų143.672%0.72270%0.7SS**THydrogen-bonded Turntrans-82.4-15.8178-118.2-178-179.6-1780113.8N318 N319N318-K321 PolarHBondContact O-N 3.09Å; N319-K321 PolarHBondContact O-N 2.9Å
322Q39Very low38.1Very low143 Ų143140.5 Ų140.567%0.66870%0.7SS**THydrogen-bonded Turntrans-99.3-10.7-171.3-114.3155.7-16.900115.1N319N319-Q322 PolarHBondContact O-N 3.11Å
323E37.1Very low37.1Very low170 Ų170139.2 Ų139.279%0.79470%0.702SS**THydrogen-bonded Turntrans-83.7-7.4174.5-73.6-166.5154.200114.4
324Y34.2Very low36.3Very low218 Ų218137 Ų13786%0.85570%0.704SS**THydrogen-bonded Turntrans-90.44.2-177.6-122.7-88.2000115.7
325I38.5Very low35.5Very low138 Ų138144.5 Ų144.571%0.70872%0.724SS**SBendtrans-111.1-7-173.6-61.9178.4000113.8H327I325-H327 PolarHBondContact O-N 2.94Å
326N36.7Very low34.8Very low137 Ų137141.4 Ų141.473%0.73372%0.724SS**SBendtrans-97.622-175-72.9-24.7000116.5
327H34.2Very low33.5Very low175 Ų175143.3 Ų143.381%0.8173%0.734SS**  trans-134.382.8172.1-67.8-57.7000112.4I325I325-H327 PolarHBondContact O-N 2.94Å
328L32.1Very low32.4Very low175 Ų175141.3 Ų141.392%0.91674%0.735SS**  trans-155.8137.5144.7-135.876.1000111.7
329P28.2Very low31.5Very low107 Ų107141.5 Ų141.570%0.69574%0.744SS**  trans-104.1156.3-167.831.7-17.7000115.2
330F26.3Very low31Very low202 Ų202142.6 Ų142.689%0.88676%0.757SS**  trans65.6135.3146-91.3-93.5000122.7
331S26.1Very low30.3Very low102 Ų102141.8 Ų141.871%0.71376%0.757SS**  trans98.8104.114576.40000120
332S23.1Very low30.4Very low106 Ų106139 Ų13974%0.74176%0.756SS**  34.7120.112857.10000121.3
333S24.9Very low29.9Very low107 Ų107139.6 Ų139.675%0.74876%0.759SS**  131.5137.2119.181.30000114.5
334S25.7Very low29.5Very low106 Ų106138.4 Ų138.474%0.74175%0.753SS**  trans79.7113147.6-39.70000118.9
335Y25.1Very low29.3Very low223 Ų223137.2 Ų137.288%0.87575%0.752SS**  trans-32.9159.4143.6-61.9-87.4000112.7
336P29.2Very low28.7Very low101 Ų101136.1 Ų136.166%0.65675%0.753SS**  cis-155.5-179.735.244.4-22.6000118.2
337I23.8Very low28.3Very low153 Ų153138.9 Ų138.979%0.78576%0.761SS**  trans61.4120.8140.3-67.9155.3000120
338S24.8Very low27.8Very low96 Ų96140.4 Ų140.467%0.67176%0.761SS**  131.1118.5119-140.90000117.3
339S25.4Very low27.8Very low96 Ų96137.8 Ų137.867%0.67176%0.758SS**  54.2119.8128.8670000121.8
340C31.2Very low27.6Very low111 Ų111139.9 Ų139.975%0.7576%0.761SS**  179.5104.8120.1-86.70000108.3
341L29.4Very low28.1Very low146 Ų146135.3 Ų135.376%0.76475%0.752SS**  77.415293.7-88.8152.1000114.5
342P43.4Very low28.1Very low106 Ų106136.9 Ų136.969%0.68875%0.752SS**  cis-141.6154.1-2.438.5-17.8000119.4
343Q29.2Very low28.2Very low156 Ų156138.3 Ų138.373%0.72976%0.756SS**  trans47.5142.2130.9-70-174.3-2200128.6
344H28Very low28.2Very low145 Ų145137.5 Ų137.567%0.67176%0.756SS**  trans77.4123.7149.3-82.1-70.3000117.5
345F29.9Very low28.2Very low193 Ų193138.2 Ų138.285%0.84676%0.762SS**  cis-151.3142.846.1-109.9-98000112.3
346T25.4Very low28.3Very low116 Ų116133.9 Ų133.971%0.71276%0.758SS**  trans-89.9138.6167.742.60000111
347E29.4Very low28Very low194 Ų194134.5 Ų134.591%0.90777%0.765SS**  trans-139.3129.3151.7-154.3163.9-153.600110.1
348Y24.6Very low28.4Very low207 Ų207132.3 Ų132.381%0.81276%0.763SS**  trans-71.3148.6-178.2-91.6-113.6000111.5
349S30.2Very low28.3Very low121 Ų121133 Ų13385%0.84677%0.768SS**  171.6123.3119.3-70.50000112.6
350I24.8Very low28.4Very low151 Ų151133.6 Ų133.677%0.77477%0.771SS**  trans-85.9170.9164.4-66.4165.1000107.2
351P37.9Very low28.2Very low105 Ų105135.6 Ų135.668%0.68277%0.773SS**  cis-136.8169.36.114.813.2000118.6
352D25.3Very low28.1Very low136 Ų136133 Ų13373%0.72777%0.767SS**  34.1133.1128.1-55.9-33.1000124.6
353T24Very low27.4Very low135 Ų135132.4 Ų132.483%0.82877%0.765SS**  trans64.6114.3138.254.20000120
354A26.8Very low27.5Very low90 Ų90132.4 Ų132.474%0.74477%0.77SS**  -172.2110.3121.900000110.6
355S24Very low27.4Very low122 Ų122130.8 Ų130.885%0.85378%0.775SS**  trans-62.2129.2152.446.60000110
356T27.2Very low27.7Very low131 Ų131127.4 Ų127.480%0.80477%0.773SS**  trans-148.3122.9158.1-1.70000111.3
357S23.8Very low27.8Very low114 Ų114128 Ų12880%0.79778%0.776SS**  trans-69.3143168.848.90000112.9
358S31.4Very low27.9Very low108 Ų108125.8 Ų125.876%0.75577%0.77SS**  trans-163.6104149.446.10000106.1
359S23.4Very low28.1Very low109 Ų109121.2 Ų121.276%0.76276%0.759SS**  34.1107.876.272.30000115.4
360C27.5Very low28.1Very low110 Ų110123.5 Ų123.574%0.74376%0.756SS**  trans-171115.8140.7-90.30000108.2
361I26.7Very low28.9Very low152 Ų152129.4 Ų129.478%0.77978%0.776SS**  76133.699.3-66.3168.8000111.7
362S27.3Very low28.4Very low91 Ų91130.7 Ų130.764%0.63678%0.781SS**  cis-178.1153-10.254.60000107.6
363S28Very low28.6Very low94 Ų94130.4 Ų130.466%0.65778%0.784SS**  trans12.8134.6148.151.30000121.8
364D31.7Very low28.8Very low156 Ų156130.1 Ų130.183%0.83478%0.781SS**  -173.5134.5104.9-92-19.6000113.9
365S26.2Very low28.9Very low112 Ų112132.5 Ų132.578%0.78378%0.784SS**  trans-87.2158.3161.5-60.60000109.6
366P36.2Very low29.2Very low122 Ų122133.1 Ų133.179%0.79278%0.779SS**  -138.4142.8127.129.9-13.8000114.3
367V27.1Very low29.4Very low128 Ų128133.3 Ų133.378%0.77678%0.778SS**  trans-92.6134.4165.1167.90000108.4
368L32.5Very low29.8Very low148 Ų148134.6 Ų134.678%0.77578%0.776SS**  trans-168.4146.3159-97.7121000107.1
369N29.1Very low29.7Very low111 Ų111136.7 Ų136.759%0.59478%0.778SS**  cis-176.7148-18.7-116.8-16.2000106.8
370H29.1Very low30.2Very low168 Ų168139 Ų13978%0.77878%0.779SS**  trans37.5121.6144.7-66.2-67.9000121.1
371K40.9Very low30.4Very low276 Ų276141.6 Ų141.6100%1.278%0.782SS**  -157.2088.4-146.6173.7-173.6179.30112.2

Retrieved 371 of 371 residues in 414 ms (Link to these results)

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