A0A077Z9Y0_TRITR Loading...

rRNA methyltransferase 2, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z9Y0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 226 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.6Very low54.6Low241 Ų241140.6 Ų140.6100%1.18772%0.72SS**  0104.80-79.8179.7-177.400108.2G3M1-G3 PolarHBondContact O-N 3.46Å; M1-G3 VanDerWaalsContact O-N 3.16Å
2F43.3Very low55Low218 Ų218135.9 Ų135.996%0.95669%0.693SS**  trans-67.8112.6170.3-80.6-84.8000108R4F2-R4 PolarHBondContact O-N 2.93Å; F2-R4 VanDerWaalsContact O-N 3.17Å
3G46Very low55.8Low69 Ų69136.5 Ų136.571%0.71168%0.681SS**  trans-56.3120.6176.400000108.9M1 E5M1-G3 PolarHBondContact O-N 3.46Å; M1-G3 VanDerWaalsContact O-N 3.16Å; G3-E5 VanDerWaalsContact C-N 3.27Å; G3-E5 PolarHBondContact O-N 3.42Å
4R50.7Low55.7Low244 Ų244135 Ų13592%0.92167%0.669SS**  trans-62.595.8167.1-79.4179.6172.5177-2.2106.6F2 K6F2-R4 PolarHBondContact O-N 2.93Å; F2-R4 VanDerWaalsContact O-N 3.17Å; R4-K6 PolarHBondContact O-N 3.48Å
5E55.7Low55.8Low149 Ų149132.5 Ų132.570%0.69666%0.656SS**  trans-49.1115.4166.1-92.1-165.7171.500107.2G3 V7 K11G3-E5 VanDerWaalsContact C-N 3.27Å; G3-E5 PolarHBondContact O-N 3.42Å; E5-V7 PolarHBondContact O-N 3.4Å; E5-K11 IonicContact OE2-NZ 2.86Å; E5-K11 PolarHBondContact OE2-NZ 2.84Å; E5-K11 VanDerWaalsContact OE2-NZ 3.15Å
6K50.8Low56.2Low198 Ų198132.5 Ų132.586%0.86165%0.647SS**  trans-60.1106.4172.1-85.2-176.6176.3177.60106.8R4 T8R4-K6 PolarHBondContact O-N 3.48Å; K6-T8 PolarHBondContact O-N 3.21Å
7V55.6Low56.5Low81 Ų81129 Ų12949%0.49163%0.628SS.*  trans-59.1111.1174.4-172.80000107E5 K11 Q12E5-V7 PolarHBondContact O-N 3.4Å; V7-K11 HydrophobicContact CG1-CB 3.71Å; V7-Q12 HydrophobicContact CB-CG 4.27Å; V7-Q12 HydrophobicContact CG1-CG 3.59Å
8T65.9Low56.6Low69 Ų69127.9 Ų127.942%0.42363%0.625SS.*  trans-62.4152.5-178.660.50000110.2K6 S10 K11 Q12K6-T8 PolarHBondContact O-N 3.21Å; T8-S10 PolarHBondContact O-N 2.84Å; T8-S10 VanDerWaalsContact O-N 3.15Å; T8-K11 PolarHBondContact O-N 2.96Å; T8-K11 WeakPolarHBondContact OG1-CG 3.41Å; T8-K11 PolarHBondContact OG1-N 2.81Å; T8-Q12 PolarHBondContact O-N 2.91Å
9S63.6Low57.2Low94 Ų94128.3 Ų128.366%0.65763%0.625SS**Hα-helixtrans-52.9-34.8173.853.30000111.7Q12 W13S9-Q12 PolarHBondContact O-N 3.05Å; S9-W13 WeakPolarHBondContact O-CB 3.39Å; S9-W13 PolarHBondContact O-N 2.83Å
10S64.7Low58.1Low82 Ų82122.8 Ų122.857%0.57360%0.599SS**Hα-helixtrans-64.8-46174.1-46.80000113T8 Q12 W13 F14T8-S10 PolarHBondContact O-N 2.84Å; T8-S10 VanDerWaalsContact O-N 3.15Å; S10-Q12 VanDerWaalsContact C-N 3.33Å; S10-Q12 PolarHBondContact O-N 3.24Å; S10-W13 PolarHBondContact O-N 3.1Å; S10-F14 VanDerWaalsContact O-CB 3.26Å; S10-F14 WeakPolarHBondContact O-CB 3.22Å; S10-F14 PolarHBondContact O-N 3.11Å
11K64.5Low59.2Low102 Ų102121.1 Ų121.144%0.44360%0.597SS.*Hα-helixtrans-62.1-41.2174.7-79.2-177.8178.2-178.30110.5E5 V7 T8 F14 M15E5-K11 IonicContact OE2-NZ 2.86Å; E5-K11 PolarHBondContact OE2-NZ 2.84Å; E5-K11 VanDerWaalsContact OE2-NZ 3.15Å; V7-K11 HydrophobicContact CG1-CB 3.71Å; T8-K11 PolarHBondContact O-N 2.96Å; T8-K11 WeakPolarHBondContact OG1-CG 3.41Å; T8-K11 PolarHBondContact OG1-N 2.81Å; K11-F14 PolarHBondContact O-N 3.48Å; K11-M15 WeakPolarHBondContact O-CB 3.48Å; K11-M15 VanDerWaalsContact O-CG 3.25Å; K11-M15 WeakPolarHBondContact O-CG 3.39Å; K11-M15 PolarHBondContact O-N 3.15Å
12Q59.7Low61.4Low84 Ų84111.6 Ų111.639%0.39355%0.548SS..Hα-helixtrans-65.6-45.5177.1-65.9-174.73.800112.4V7 T8 S9 S10 F14 M15 R16V7-Q12 HydrophobicContact CB-CG 4.27Å; V7-Q12 HydrophobicContact CG1-CG 3.59Å; T8-Q12 PolarHBondContact O-N 2.91Å; S9-Q12 PolarHBondContact O-N 3.05Å; S10-Q12 VanDerWaalsContact C-N 3.33Å; S10-Q12 PolarHBondContact O-N 3.24Å; Q12-F14 VanDerWaalsContact C-N 3.3Å; Q12-F14 PolarHBondContact O-N 3.38Å; Q12-M15 PolarHBondContact O-N 3.4Å; Q12-R16 WeakPolarHBondContact O-CB 3.4Å; Q12-R16 VanDerWaalsContact O-CG 3.25Å; Q12-R16 WeakPolarHBondContact O-CG 3.4Å; Q12-R16 PolarHBondContact O-N 2.94Å; Q12-R16 VanDerWaalsContact OE1-NH2 3.09Å
13W64.8Low63.1Low144 Ų144102.3 Ų102.355%0.54551%0.509SS..Hα-helixtrans-58.6-44174.817994.8000111.2S9 S10 R16 H17S9-W13 WeakPolarHBondContact O-CB 3.39Å; S9-W13 PolarHBondContact O-N 2.83Å; S10-W13 PolarHBondContact O-N 3.1Å; W13-R16 PolarHBondContact O-N 3.38Å; W13-H17 AromaticContact CH2-ND1 3.91Å; W13-H17 AromaticContact CZ2-ND1 3.99Å; W13-H17 WeakPolarHBondContact O-CB 3.26Å; W13-H17 PolarHBondContact O-N 3.44Å
14F54.9Low64.9Low115 Ų115108 Ų10850%0.50451%0.509SS..Hα-helixtrans-64-46178.8-175.5-101.7000112.5S10 K11 Q12 R16 H17 I18S10-F14 VanDerWaalsContact O-CB 3.26Å; S10-F14 WeakPolarHBondContact O-CB 3.22Å; S10-F14 PolarHBondContact O-N 3.11Å; K11-F14 PolarHBondContact O-N 3.48Å; Q12-F14 VanDerWaalsContact C-N 3.3Å; Q12-F14 PolarHBondContact O-N 3.38Å; F14-R16 PolarHBondContact O-N 3.2Å; F14-H17 WeakPolarHBondContact O-CB 3.34Å; F14-H17 PolarHBondContact O-N 2.9Å; F14-H17 VanDerWaalsContact O-N 3.15Å; F14-I18 HydrophobicContact CD1-CD1 3.78Å; F14-I18 HydrophobicContact CE1-CD1 3.21Å; F14-I18 HydrophobicContact CE1-CG1 4.32Å; F14-I18 HydrophobicContact CE2-CD1 4.22Å; F14-I18 HydrophobicContact CG-CD1 4.5Å; F14-I18 HydrophobicContact CZ-CD1 3.48Å; F14-I18 VanDerWaalsContact CZ-CD1 3.48Å; F14-I18 HydrophobicContact CZ-CG1 4.4Å; F14-I18 PolarHBondContact O-N 3.05Å
15M58Low66.6Low98 Ų98101.5 Ų101.548%0.48348%0.484SS..Hα-helixtrans-62-44.3176.7-71.2-64.1-75.100111.7K11 Q12 H17 I18 Q19K11-M15 WeakPolarHBondContact O-CB 3.48Å; K11-M15 VanDerWaalsContact O-CG 3.25Å; K11-M15 WeakPolarHBondContact O-CG 3.39Å; K11-M15 PolarHBondContact O-N 3.15Å; Q12-M15 PolarHBondContact O-N 3.4Å; M15-H17 VanDerWaalsContact C-N 3.27Å; M15-H17 PolarHBondContact O-N 3.18Å; M15-I18 PolarHBondContact O-N 3.42Å; M15-Q19 WeakPolarHBondContact O-CB 3.43Å; M15-Q19 VanDerWaalsContact O-CG 3.3Å; M15-Q19 WeakPolarHBondContact O-CG 3.2Å; M15-Q19 PolarHBondContact O-N 3.18Å
16R61.2Low68.2Low132 Ų13297.6 Ų97.650%0.49846%0.463SS..Hα-helixtrans-59.7-40.1173.7-69.3174.8-152.4164.57.6111.5Q12 W13 F14 Q19 D20Q12-R16 WeakPolarHBondContact O-CB 3.4Å; Q12-R16 VanDerWaalsContact O-CG 3.25Å; Q12-R16 WeakPolarHBondContact O-CG 3.4Å; Q12-R16 PolarHBondContact O-N 2.94Å; Q12-R16 VanDerWaalsContact OE1-NH2 3.09Å; W13-R16 PolarHBondContact O-N 3.38Å; F14-R16 PolarHBondContact O-N 3.2Å; R16-Q19 PolarHBondContact O-N 2.87Å; R16-D20 PolarHBondContact O-N 2.95Å; R16-D20 VanDerWaalsContact O-N 3.16Å
17H61.4Low69.9Low73 Ų7397.1 Ų97.134%0.33846%0.456SS..Hα-helixtrans-64.6-43.2179-166.898.7000112W13 F14 M15 Q19 L23W13-H17 AromaticContact CH2-ND1 3.91Å; W13-H17 AromaticContact CZ2-ND1 3.99Å; W13-H17 WeakPolarHBondContact O-CB 3.26Å; W13-H17 PolarHBondContact O-N 3.44Å; F14-H17 WeakPolarHBondContact O-CB 3.34Å; F14-H17 PolarHBondContact O-N 2.9Å; F14-H17 VanDerWaalsContact O-N 3.15Å; M15-H17 VanDerWaalsContact C-N 3.27Å; M15-H17 PolarHBondContact O-N 3.18Å; H17-Q19 VanDerWaalsContact C-N 3.32Å; H17-L23 WeakPolarHBondContact O-CD1 3.21Å
18I59.3Low71.4Confident110 Ų11099.7 Ų99.756%0.56447%0.466SS*.Hα-helixtrans-68.6-34.6177.8-70.2177.1000111.6F14 M15F14-I18 HydrophobicContact CD1-CD1 3.78Å; F14-I18 HydrophobicContact CE1-CD1 3.21Å; F14-I18 HydrophobicContact CE1-CG1 4.32Å; F14-I18 HydrophobicContact CE2-CD1 4.22Å; F14-I18 HydrophobicContact CG-CD1 4.5Å; F14-I18 HydrophobicContact CZ-CD1 3.48Å; F14-I18 VanDerWaalsContact CZ-CD1 3.48Å; F14-I18 HydrophobicContact CZ-CG1 4.4Å; F14-I18 PolarHBondContact O-N 3.05Å; M15-I18 PolarHBondContact O-N 3.42Å
19Q68Low72.6Confident135 Ų13599 Ų9963%0.63146%0.458SS*.Hα-helixtrans-83.9-6.2-176.5-70.6177.5-6.300114.3M15 R16 H17 P21M15-Q19 WeakPolarHBondContact O-CB 3.43Å; M15-Q19 VanDerWaalsContact O-CG 3.3Å; M15-Q19 WeakPolarHBondContact O-CG 3.2Å; M15-Q19 PolarHBondContact O-N 3.18Å; R16-Q19 PolarHBondContact O-N 2.87Å; H17-Q19 VanDerWaalsContact C-N 3.32Å; Q19-P21 WeakPolarHBondContact O-CD 3.47Å
20D74.6Confident74Confident18 Ų18100.7 Ų100.710%0.09646%0.46CS..  trans-65.2106.6-178.7-173.3-13.4000110.6R16 Y22 L23 R24 R34R16-D20 PolarHBondContact O-N 2.95Å; R16-D20 VanDerWaalsContact O-N 3.16Å; D20-Y22 PolarHBondContact O-N 3.23Å; D20-Y22 VanDerWaalsContact O-N 3.13Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.48Å; D20-Y22 WeakPolarHBondContact OD1-CD2 3.3Å; D20-Y22 PolarHBondContact OD1-N 3.07Å; D20-L23 HydrophobicContact CB-CB 4.15Å; D20-L23 HydrophobicContact CB-CD1 3.9Å; D20-L23 HydrophobicContact CB-CG 3.88Å; D20-L23 PolarHBondContact O-N 2.82Å; D20-R24 PolarHBondContact O-N 2.88Å; D20-R34 IonicContact OD1-NE 3.4Å; D20-R34 IonicContact OD1-NH2 2.71Å; D20-R34 PolarHBondContact OD1-NH2 2.72Å; D20-R34 IonicContact OD2-CZ 3.77Å; D20-R34 IonicContact OD2-NE 3.47Å; D20-R34 PolarHBondContact OD2-NE 2.83Å; D20-R34 IonicContact OD2-NH2 3.95Å; D20-R34 PolarHBondContact OD2-NH2 2.9Å
21P81.9Confident75.5Confident88 Ų8897.4 Ų97.457%0.57144%0.435SS*.Hα-helixtrans-62.5-27.2-175.827-34.5000111.3Q19 R24 R25Q19-P21 WeakPolarHBondContact O-CD 3.47Å; P21-R24 PolarHBondContact O-N 3.12Å; P21-R25 VanDerWaalsContact O-CB 3.27Å; P21-R25 WeakPolarHBondContact O-CB 3.45Å; P21-R25 PolarHBondContact O-N 2.96Å
22Y83.9Confident76.9Confident41 Ų4195.5 Ų95.516%0.16143%0.425CS..Hα-helixtrans-74.1-26.4178.1-57.5-78.4000112.4D20 R26 F37 E41 N200 A201D20-Y22 PolarHBondContact O-N 3.23Å; D20-Y22 VanDerWaalsContact O-N 3.13Å; D20-Y22 WeakPolarHBondContact OD1-CB 3.48Å; D20-Y22 WeakPolarHBondContact OD1-CD2 3.3Å; D20-Y22 PolarHBondContact OD1-N 3.07Å; Y22-R26 WeakPolarHBondContact O-CB 3.4Å; Y22-R26 PolarHBondContact O-N 2.74Å; Y22-F37 HydrophobicContact CD1-CB 3.63Å; Y22-F37 HydrophobicContact CD1-CD1 4.4Å; Y22-F37 AromaticContact CD1-CD2 3.72Å; Y22-F37 HydrophobicContact CD1-CD2 3.72Å; Y22-F37 AromaticContact CD1-CG 3.65Å; Y22-F37 HydrophobicContact CD1-CG 3.65Å; Y22-F37 HydrophobicContact CE1-CB 3.99Å; Y22-F37 HydrophobicContact CE1-CG 4.34Å; Y22-F37 HydrophobicContact CG-CD2 4.27Å; Y22-F37 WeakPolarHBondContact O-CE2 3.49Å; Y22-E41 WeakPolarHBondContact CE1-OE1 3.38Å; Y22-E41 PolarHBondContact OH-OE1 2.95Å; Y22-N200 PolarHBondContact OH-O 2.91Å; Y22-A201 HydrophobicContact CD1-CB 4.07Å; Y22-A201 HydrophobicContact CE1-CB 3.72Å; Y22-A201 HydrophobicContact CE2-CB 4.22Å; Y22-A201 HydrophobicContact CG-CB 4.45Å; Y22-A201 VanDerWaalsContact CZ-CA 3.46Å; Y22-A201 PolarHBondContact OH-N 3.39Å
23L80.2Confident78.5Confident23 Ų2392.5 Ų92.512%0.1241%0.413CS..Hα-helixtrans-72.5-33.7171.9-71.7-179.5000112.1H17 D20 R26 R34H17-L23 WeakPolarHBondContact O-CD1 3.21Å; D20-L23 HydrophobicContact CB-CB 4.15Å; D20-L23 HydrophobicContact CB-CD1 3.9Å; D20-L23 HydrophobicContact CB-CG 3.88Å; D20-L23 PolarHBondContact O-N 2.82Å; L23-R26 VanDerWaalsContact CD2-NE 3.35Å; L23-R26 WeakPolarHBondContact O-CG 3.08Å; L23-R34 HydrophobicContact CD2-CB 4.35Å
24R83.7Confident79.7Confident189 Ų18987.5 Ų87.571%0.71339%0.394SS*.Hα-helixtrans-69.8-47.7170.5-173.1177.7-178.9176.5-0.8110.4D20 P21 R26 R27 L28D20-R24 PolarHBondContact O-N 2.88Å; P21-R24 PolarHBondContact O-N 3.12Å; R24-R26 VanDerWaalsContact C-N 3.35Å; R24-R26 PolarHBondContact O-N 3.15Å; R24-R27 PolarHBondContact O-N 2.95Å; R24-L28 HydrophobicContact CG-CD1 4.33Å; R24-L28 PolarHBondContact O-N 2.89Å
25R86.8Confident81.5Confident107 Ų10782.9 Ų82.940%0.40438%0.376SS..Hα-helixtrans-62.7-37-179-161.2178.4174.9177.5-2.7112.6P21 R27 L28 E29 F37P21-R25 VanDerWaalsContact O-CB 3.27Å; P21-R25 WeakPolarHBondContact O-CB 3.45Å; P21-R25 PolarHBondContact O-N 2.96Å; R25-R27 VanDerWaalsContact C-N 3.27Å; R25-R27 PolarHBondContact O-N 3.06Å; R25-L28 PolarHBondContact O-N 3.13Å; R25-E29 HydrophobicContact CG-CG 4.39Å; R25-E29 IonicContact CZ-OE1 3.8Å; R25-E29 VanDerWaalsContact CZ-OE1 3.25Å; R25-E29 IonicContact NE-OE1 3.4Å; R25-E29 PolarHBondContact NE-OE1 3.4Å; R25-E29 IonicContact NH2-OE1 3.93Å; R25-E29 PolarHBondContact NH2-OE1 2.92Å; R25-E29 PolarHBondContact O-N 2.83Å; R25-F37 HydrophobicContact CB-CE1 4.19Å; R25-F37 HydrophobicContact CB-CE2 4.01Å; R25-F37 HydrophobicContact CB-CZ 3.61Å; R25-F37 HydrophobicContact CG-CE1 3.57Å; R25-F37 HydrophobicContact CG-CE2 4.3Å; R25-F37 HydrophobicContact CG-CZ 3.43Å; R25-F37 VanDerWaalsContact CG-CZ 3.43Å
26R89.5Confident83.4Confident67 Ų6778.2 Ų78.225%0.25335%0.353SS..Hα-helixtrans-61.5-36.8176.787.9-174.1168.3111.2-2.7111.9Y22 L23 R24 N30 Y31 R32 F37Y22-R26 WeakPolarHBondContact O-CB 3.4Å; Y22-R26 PolarHBondContact O-N 2.74Å; L23-R26 VanDerWaalsContact CD2-NE 3.35Å; L23-R26 WeakPolarHBondContact O-CG 3.08Å; R24-R26 VanDerWaalsContact C-N 3.35Å; R24-R26 PolarHBondContact O-N 3.15Å; R26-N30 CarbonylContact O-C 3.55Å; R26-N30 VanDerWaalsContact O-CA 3.27Å; R26-N30 WeakPolarHBondContact O-CA 3.21Å; R26-N30 PolarHBondContact O-N 3.47Å; R26-Y31 WeakPolarHBondContact CB-O 3.44Å; R26-Y31 PolarHBondContact O-N 3.37Å; R26-R32 PolarHBondContact NH1-O 2.81Å; R26-F37 HydrophobicContact CB-CE2 3.85Å; R26-F37 HydrophobicContact CB-CZ 4.45Å
27R86.5Confident85Confident188 Ų18872.1 Ų72.171%0.70933%0.33SS*.Hα-helixtrans-69.4-40.5177.6-68.6179.2-179.7159.70.7110.7R24 R25R24-R27 PolarHBondContact O-N 2.95Å; R25-R27 VanDerWaalsContact C-N 3.27Å; R25-R27 PolarHBondContact O-N 3.06Å
28L86.6Confident86.7Confident135 Ų13569.2 Ų69.271%0.70732%0.317SS*.Hα-helixtrans-67-44.8177.7-66171.7000112.5R24 R25 N30R24-L28 HydrophobicContact CG-CD1 4.33Å; R24-L28 PolarHBondContact O-N 2.89Å; R25-L28 PolarHBondContact O-N 3.13Å; L28-N30 VanDerWaalsContact C-N 3.3Å
29E90.2Very high88.5Confident54 Ų5464 Ų6425%0.25229%0.29SS..THydrogen-bonded Turntrans-89.66179.8-65.3-170.1-146.800113.5R25 Y31 K40R25-E29 HydrophobicContact CG-CG 4.39Å; R25-E29 IonicContact CZ-OE1 3.8Å; R25-E29 VanDerWaalsContact CZ-OE1 3.25Å; R25-E29 IonicContact NE-OE1 3.4Å; R25-E29 PolarHBondContact NE-OE1 3.4Å; R25-E29 IonicContact NH2-OE1 3.93Å; R25-E29 PolarHBondContact NH2-OE1 2.92Å; R25-E29 PolarHBondContact O-N 2.83Å; E29-Y31 VanDerWaalsContact C-N 3.32Å; E29-Y31 HydrophobicContact CB-CD2 3.69Å; E29-Y31 HydrophobicContact CB-CE2 3.7Å; E29-Y31 PolarHBondContact O-N 3.38Å; E29-Y31 WeakPolarHBondContact OE2-CE2 3.29Å; E29-K40 IonicContact OE1-NZ 3.93Å; E29-K40 IonicContact OE2-NZ 2.74Å; E29-K40 PolarHBondContact OE2-NZ 3.2Å
30N93Very high89.9Confident129 Ų12959.4 Ų59.469%0.6927%0.268SS*.THydrogen-bonded Turntrans53.540.5179.8-160.825.5000115R26 L28 Q67R26-N30 CarbonylContact O-C 3.55Å; R26-N30 VanDerWaalsContact O-CA 3.27Å; R26-N30 WeakPolarHBondContact O-CA 3.21Å; R26-N30 PolarHBondContact O-N 3.47Å; L28-N30 VanDerWaalsContact C-N 3.3Å; N30-Q67 PolarHBondContact O-NE2 2.94Å
31Y96.1Very high90.9Very high13 Ų1360.2 Ų60.25%0.05127%0.271CS..  trans-88.9137.2171.2-70.4-62000111.7R26 E29 C33 A36 F37 K40 Q67 V68 K71R26-Y31 WeakPolarHBondContact CB-O 3.44Å; R26-Y31 PolarHBondContact O-N 3.37Å; E29-Y31 VanDerWaalsContact C-N 3.32Å; E29-Y31 HydrophobicContact CB-CD2 3.69Å; E29-Y31 HydrophobicContact CB-CE2 3.7Å; E29-Y31 PolarHBondContact O-N 3.38Å; E29-Y31 WeakPolarHBondContact OE2-CE2 3.29Å; Y31-C33 VanDerWaalsContact C-N 3.32Å; Y31-C33 PolarHBondContact O-N 2.85Å; Y31-A36 HydrophobicContact CD1-CB 3.69Å; Y31-A36 HydrophobicContact CD2-CB 4.03Å; Y31-A36 HydrophobicContact CE1-CB 4.28Å; Y31-A36 HydrophobicContact CG-CB 3.57Å; Y31-F37 HydrophobicContact CD2-CE1 4.11Å; Y31-F37 HydrophobicContact CD2-CE2 4.44Å; Y31-F37 AromaticContact CD2-CZ 3.83Å; Y31-F37 HydrophobicContact CD2-CZ 3.83Å; Y31-F37 HydrophobicContact CE2-CE1 4.25Å; Y31-F37 HydrophobicContact CE2-CZ 4.41Å; Y31-K40 HydrophobicContact CE2-CD 3.99Å; Y31-Q67 HydrophobicContact CD1-CB 3.82Å; Y31-Q67 HydrophobicContact CE1-CB 3.93Å; Y31-V68 HydrophobicContact CD1-CG2 4.16Å; Y31-V68 HydrophobicContact CE1-CB 4.49Å; Y31-V68 HydrophobicContact CE1-CG2 3.45Å; Y31-V68 VanDerWaalsContact CE1-CG2 3.45Å; Y31-K71 PolarHBondContact OH-NZ 3.27Å
32R94.7Very high91.7Very high62 Ų6256.1 Ų56.123%0.23424%0.244CC..SBendtrans-61.2-39.6-179.3-70.2179.3-178.4-176.4-0.8112.5R26 P62 M96 P97 I98R26-R32 PolarHBondContact NH1-O 2.81Å; R32-P62 HydrophobicContact CB-CG 4.33Å; R32-P62 WeakPolarHBondContact CD-O 3.46Å; R32-P62 PolarHBondContact NH1-O 2.92Å; R32-M96 VanDerWaalsContact CZ-O 3.27Å; R32-M96 PolarHBondContact NH1-O 3Å; R32-M96 PolarHBondContact NH2-O 3.35Å; R32-P97 PolarHBondContact NH2-O 3.14Å; R32-I98 VanDerWaalsContact CZ-CG1 3.48Å; R32-I98 VanDerWaalsContact NH1-CG1 3.26Å
33C92.6Very high92.4Very high22 Ų2254.9 Ų54.915%0.14924%0.241CC..SBendtrans-138.1160.2-179.6610000112.4Y31 S35 A36 P62 G64Y31-C33 VanDerWaalsContact C-N 3.32Å; Y31-C33 PolarHBondContact O-N 2.85Å; C33-S35 PolarHBondContact O-N 3.26Å; C33-S35 PolarHBondContact SG-OG 3.02Å; C33-A36 WeakPolarHBondContact O-CB 3.36Å; C33-A36 PolarHBondContact O-N 2.79Å; C33-P62 HydrophobicContact CB-CG 3.84Å; C33-G64 VanDerWaalsContact SG-CA 3.54Å
34R90.4Very high93.2Very high38 Ų3860.4 Ų60.414%0.14327%0.266CS..THydrogen-bonded Turntrans-65.7-23.2178.873.5-174.4-64-81.8-2.9113.1D20 L23 A36 F37 A201D20-R34 IonicContact OD1-NE 3.4Å; D20-R34 IonicContact OD1-NH2 2.71Å; D20-R34 PolarHBondContact OD1-NH2 2.72Å; D20-R34 IonicContact OD2-CZ 3.77Å; D20-R34 IonicContact OD2-NE 3.47Å; D20-R34 PolarHBondContact OD2-NE 2.83Å; D20-R34 IonicContact OD2-NH2 3.95Å; D20-R34 PolarHBondContact OD2-NH2 2.9Å; L23-R34 HydrophobicContact CD2-CB 4.35Å; R34-A36 PolarHBondContact O-N 2.94Å; R34-F37 WeakPolarHBondContact O-CD2 3.5Å; R34-F37 PolarHBondContact O-N 2.98Å; R34-F37 VanDerWaalsContact O-N 3.17Å; R34-A201 PolarHBondContact NH1-O 2.83Å; R34-A201 PolarHBondContact NH2-O 2.75Å
35S93.2Very high93.9Very high19 Ų1957.8 Ų57.813%0.13326%0.26CS..THydrogen-bonded Turntrans-66.2-18.8-178.556.90000112.7C33 F37 K38 L39 W65 D132C33-S35 PolarHBondContact O-N 3.26Å; C33-S35 PolarHBondContact SG-OG 3.02Å; S35-F37 PolarHBondContact O-N 3.29Å; S35-K38 VanDerWaalsContact O-CB 3.27Å; S35-K38 WeakPolarHBondContact O-CB 3.47Å; S35-K38 PolarHBondContact O-N 3.19Å; S35-L39 PolarHBondContact O-N 2.86Å; S35-W65 PolarHBondContact O-NE1 3.06Å; S35-D132 WeakPolarHBondContact CB-OD2 3.17Å; S35-D132 PolarHBondContact OG-OD2 3.43Å
36A96.8Very high94.4Very high0 Ų054.7 Ų54.70%025%0.248CC..Hα-helixtrans-48.7-40.7169.500000112.5Y31 C33 R34 K38 L39 K40 G64 V68Y31-A36 HydrophobicContact CD1-CB 3.69Å; Y31-A36 HydrophobicContact CD2-CB 4.03Å; Y31-A36 HydrophobicContact CE1-CB 4.28Å; Y31-A36 HydrophobicContact CG-CB 3.57Å; C33-A36 WeakPolarHBondContact O-CB 3.36Å; C33-A36 PolarHBondContact O-N 2.79Å; R34-A36 PolarHBondContact O-N 2.94Å; A36-K38 VanDerWaalsContact C-N 3.28Å; A36-K38 PolarHBondContact O-N 3.48Å; A36-L39 PolarHBondContact O-N 3.27Å; A36-K40 PolarHBondContact O-N 3.17Å; A36-K40 VanDerWaalsContact O-N 3.12Å; A36-G64 WeakPolarHBondContact CB-O 3.21Å; A36-V68 HydrophobicContact CB-CG2 3.82Å
37F95.9Very high94.7Very high3 Ų355.8 Ų55.81%0.01326%0.264CS..Hα-helixtrans-68-26.9179.2-62.1-70.8000113.3Y22 R25 R26 Y31 R34 S35 K40 E41 A201Y22-F37 HydrophobicContact CD1-CB 3.63Å; Y22-F37 HydrophobicContact CD1-CD1 4.4Å; Y22-F37 AromaticContact CD1-CD2 3.72Å; Y22-F37 HydrophobicContact CD1-CD2 3.72Å; Y22-F37 AromaticContact CD1-CG 3.65Å; Y22-F37 HydrophobicContact CD1-CG 3.65Å; Y22-F37 HydrophobicContact CE1-CB 3.99Å; Y22-F37 HydrophobicContact CE1-CG 4.34Å; Y22-F37 HydrophobicContact CG-CD2 4.27Å; Y22-F37 WeakPolarHBondContact O-CE2 3.49Å; R25-F37 HydrophobicContact CB-CE1 4.19Å; R25-F37 HydrophobicContact CB-CE2 4.01Å; R25-F37 HydrophobicContact CB-CZ 3.61Å; R25-F37 HydrophobicContact CG-CE1 3.57Å; R25-F37 HydrophobicContact CG-CE2 4.3Å; R25-F37 HydrophobicContact CG-CZ 3.43Å; R25-F37 VanDerWaalsContact CG-CZ 3.43Å; R26-F37 HydrophobicContact CB-CE2 3.85Å; R26-F37 HydrophobicContact CB-CZ 4.45Å; Y31-F37 HydrophobicContact CD2-CE1 4.11Å; Y31-F37 HydrophobicContact CD2-CE2 4.44Å; Y31-F37 AromaticContact CD2-CZ 3.83Å; Y31-F37 HydrophobicContact CD2-CZ 3.83Å; Y31-F37 HydrophobicContact CE2-CE1 4.25Å; Y31-F37 HydrophobicContact CE2-CZ 4.41Å; R34-F37 WeakPolarHBondContact O-CD2 3.5Å; R34-F37 PolarHBondContact O-N 2.98Å; R34-F37 VanDerWaalsContact O-N 3.17Å; S35-F37 PolarHBondContact O-N 3.29Å; F37-K40 HydrophobicContact CD1-CD 4.23Å; F37-K40 PolarHBondContact O-N 3.44Å; F37-E41 WeakPolarHBondContact O-CB 3.37Å; F37-E41 VanDerWaalsContact O-CG 3.25Å; F37-E41 WeakPolarHBondContact O-CG 3.2Å; F37-E41 PolarHBondContact O-N 2.71Å; F37-A201 HydrophobicContact CB-CB 3.84Å
38K95.9Very high95.2Very high13 Ų1347.3 Ų47.36%0.05723%0.232CC..Hα-helixtrans-64.1-47.2174.3-54.8176.6-166.7173.90110.7S35 A36 E41 I42 D132 P199 A201 E208 Y210S35-K38 VanDerWaalsContact O-CB 3.27Å; S35-K38 WeakPolarHBondContact O-CB 3.47Å; S35-K38 PolarHBondContact O-N 3.19Å; A36-K38 VanDerWaalsContact C-N 3.28Å; A36-K38 PolarHBondContact O-N 3.48Å; K38-E41 PolarHBondContact O-N 3.48Å; K38-I42 WeakPolarHBondContact O-CB 3.33Å; K38-I42 WeakPolarHBondContact O-CD1 3.23Å; K38-I42 WeakPolarHBondContact O-CG1 3.42Å; K38-I42 PolarHBondContact O-N 3.06Å; K38-D132 IonicContact NZ-OD1 2.83Å; K38-D132 IonicContact NZ-OD2 3.59Å; K38-P199 HydrophobicContact CB-CB 4.05Å; K38-P199 HydrophobicContact CB-CG 4.1Å; K38-P199 HydrophobicContact CG-CB 4.21Å; K38-A201 HydrophobicContact CB-CB 4.44Å; K38-A201 HydrophobicContact CG-CB 3.71Å; K38-E208 WeakPolarHBondContact CD-OE1 3.49Å; K38-E208 WeakPolarHBondContact CE-OE1 3.47Å; K38-E208 IonicContact NZ-OE1 2.77Å; K38-E208 PolarHBondContact NZ-OE1 3.36Å; K38-E208 IonicContact NZ-OE2 3.66Å; K38-E208 PolarHBondContact NZ-OE2 3.07Å; K38-Y210 HydrophobicContact CD-CE2 4.08Å; K38-Y210 WeakPolarHBondContact CD-OH 3.38Å; K38-Y210 PolarHBondContact NZ-OH 2.87Å
39L98.2Very high95.8Very high0 Ų041.1 Ų41.10%020%0.2CC..Hα-helixtrans-65.7-40.1178.6-177.159.1000111.5S35 A36 I42 N43 F48 W65 V68 L69 L171S35-L39 PolarHBondContact O-N 2.86Å; A36-L39 PolarHBondContact O-N 3.27Å; L39-I42 PolarHBondContact O-N 3.11Å; L39-N43 WeakPolarHBondContact O-CB 3.44Å; L39-N43 PolarHBondContact O-N 3.23Å; L39-F48 HydrophobicContact CD1-CZ 4.2Å; L39-W65 HydrophobicContact CB-CD2 3.89Å; L39-W65 HydrophobicContact CB-CG 4.01Å; L39-W65 HydrophobicContact CB-CZ2 4.14Å; L39-W65 HydrophobicContact CD1-CE3 4.39Å; L39-W65 HydrophobicContact CD1-CZ3 4.4Å; L39-W65 HydrophobicContact CD2-CB 3.87Å; L39-W65 HydrophobicContact CD2-CD2 3.9Å; L39-W65 HydrophobicContact CD2-CE3 4.13Å; L39-W65 HydrophobicContact CD2-CG 3.83Å; L39-W65 HydrophobicContact CG-CD2 4.33Å; L39-V68 HydrophobicContact CD2-CB 4.19Å; L39-V68 HydrophobicContact CD2-CG1 4.11Å; L39-V68 HydrophobicContact CG-CG1 4.2Å; L39-L69 HydrophobicContact CD2-CD1 4.41Å; L39-L69 HydrophobicContact CD2-CD2 3.75Å; L39-L69 HydrophobicContact CD2-CG 3.76Å; L39-L171 HydrophobicContact CD1-CD2 4.08Å
40K97.1Very high96.2Very high38 Ų3844.7 Ų44.717%0.16521%0.214CC..Hα-helixtrans-57-51173.3-68.8-177.475.3-172.50111.1E29 Y31 A36 F37 I42 N43 E44 V68E29-K40 IonicContact OE1-NZ 3.93Å; E29-K40 IonicContact OE2-NZ 2.74Å; E29-K40 PolarHBondContact OE2-NZ 3.2Å; Y31-K40 HydrophobicContact CE2-CD 3.99Å; A36-K40 PolarHBondContact O-N 3.17Å; A36-K40 VanDerWaalsContact O-N 3.12Å; F37-K40 HydrophobicContact CD1-CD 4.23Å; F37-K40 PolarHBondContact O-N 3.44Å; K40-I42 PolarHBondContact O-N 2.89Å; K40-N43 PolarHBondContact O-N 3.13Å; K40-E44 WeakPolarHBondContact O-CB 3.38Å; K40-E44 VanDerWaalsContact O-CG 3.26Å; K40-E44 WeakPolarHBondContact O-CG 3.41Å; K40-E44 PolarHBondContact O-N 3.37Å; K40-V68 HydrophobicContact CD-CG2 4.28Å; K40-V68 HydrophobicContact CG-CB 4.48Å; K40-V68 HydrophobicContact CG-CG1 3.73Å; K40-V68 HydrophobicContact CG-CG2 3.83Å
41E96.7Very high96.5Very high36 Ų3639.8 Ų39.817%0.16819%0.192CC..Hα-helixtrans-62.5-42.6179.5-74.6170.6-165.400112.9Y22 F37 K38 N43 E44 K45 P199 N200 A201Y22-E41 WeakPolarHBondContact CE1-OE1 3.38Å; Y22-E41 PolarHBondContact OH-OE1 2.95Å; F37-E41 WeakPolarHBondContact O-CB 3.37Å; F37-E41 VanDerWaalsContact O-CG 3.25Å; F37-E41 WeakPolarHBondContact O-CG 3.2Å; F37-E41 PolarHBondContact O-N 2.71Å; K38-E41 PolarHBondContact O-N 3.48Å; E41-N43 VanDerWaalsContact C-N 3.34Å; E41-E44 PolarHBondContact O-N 3.3Å; E41-K45 WeakPolarHBondContact O-CB 3.49Å; E41-K45 PolarHBondContact O-N 2.79Å; E41-P199 WeakPolarHBondContact OE2-CB 3.34Å; E41-N200 WeakPolarHBondContact OE2-CA 3.47Å; E41-N200 PolarHBondContact OE2-N 2.85Å; E41-A201 WeakPolarHBondContact OE1-CB 3.3Å; E41-A201 PolarHBondContact OE1-N 2.67Å; E41-A201 PolarHBondContact OE2-N 3.35Å
42I98.1Very high96.6Very high1 Ų140.5 Ų40.51%0.00520%0.203CC..Hα-helixtrans-62.1-45.6176.8-64.9164.2000109.5K38 L39 K40 K45 Y46 F48 L171 V197 P199 Y210 M212K38-I42 WeakPolarHBondContact O-CB 3.33Å; K38-I42 WeakPolarHBondContact O-CD1 3.23Å; K38-I42 WeakPolarHBondContact O-CG1 3.42Å; K38-I42 PolarHBondContact O-N 3.06Å; L39-I42 PolarHBondContact O-N 3.11Å; K40-I42 PolarHBondContact O-N 2.89Å; I42-K45 PolarHBondContact O-N 2.93Å; I42-Y46 PolarHBondContact O-N 3.35Å; I42-F48 HydrophobicContact CG2-CE1 3.99Å; I42-L171 HydrophobicContact CD1-CD1 4.48Å; I42-L171 HydrophobicContact CD1-CD2 4.08Å; I42-L171 HydrophobicContact CG2-CD1 4.18Å; I42-L171 HydrophobicContact CG2-CD2 4.13Å; I42-V197 HydrophobicContact CG1-CG1 3.99Å; I42-P199 HydrophobicContact CD1-CG 3.79Å; I42-P199 HydrophobicContact CG1-CG 3.83Å; I42-Y210 HydrophobicContact CD1-CD1 4.25Å; I42-Y210 HydrophobicContact CD1-CD2 3.92Å; I42-Y210 HydrophobicContact CD1-CE2 4.38Å; I42-Y210 HydrophobicContact CD1-CG 3.84Å; I42-M212 HydrophobicContact CG2-SD 4.48Å
43N98.3Very high96.8Very high16 Ų1639.5 Ų39.59%0.08620%0.202CC..Hα-helixtrans-73.4-27.7-179.2-163.166.8000113.4L39 K40 E41 Y46 P47 F48 I49 L72L39-N43 WeakPolarHBondContact O-CB 3.44Å; L39-N43 PolarHBondContact O-N 3.23Å; K40-N43 PolarHBondContact O-N 3.13Å; E41-N43 VanDerWaalsContact C-N 3.34Å; N43-Y46 CarbonylContact C-O 3.59Å; N43-Y46 VanDerWaalsContact CA-O 3.3Å; N43-Y46 WeakPolarHBondContact CA-O 3.41Å; N43-Y46 CarbonylContact O-C 3.6Å; N43-Y46 VanDerWaalsContact O-C 3.3Å; N43-P47 WeakPolarHBondContact O-CA 3.49Å; N43-F48 HydrophobicContact CB-CE1 4.4Å; N43-F48 PolarHBondContact OD1-N 3.34Å; N43-I49 PolarHBondContact ND2-O 3.45Å; N43-I49 WeakPolarHBondContact OD1-CB 3.26Å; N43-I49 PolarHBondContact OD1-N 3.06Å; N43-L72 HydrophobicContact CB-CD1 4.31Å
44E97Very high97.1Very high139 Ų13939.2 Ų39.265%0.6520%0.199SC*.Hα-helixtrans-66.5-39.9170.2-78.2168-168.500110.8K40 E41K40-E44 WeakPolarHBondContact O-CB 3.38Å; K40-E44 VanDerWaalsContact O-CG 3.26Å; K40-E44 WeakPolarHBondContact O-CG 3.41Å; K40-E44 PolarHBondContact O-N 3.37Å; E41-E44 PolarHBondContact O-N 3.3Å
45K97.4Very high97.5Very high134 Ų13437.4 Ų37.458%0.58319%0.192SC*.Hα-helixtrans-75.6-40.1178.5-172.9173.4-179.4179.70112.9E41 I42E41-K45 WeakPolarHBondContact O-CB 3.49Å; E41-K45 PolarHBondContact O-N 2.79Å; I42-K45 PolarHBondContact O-N 2.93Å
46Y97.3Very high97.8Very high42 Ų4236.5 Ų36.517%0.16519%0.186CC..SBendtrans-129.798.8179.5-52.5-74.7000107.4I42 N43 F48 H195 V197 M212I42-Y46 PolarHBondContact O-N 3.35Å; N43-Y46 CarbonylContact C-O 3.59Å; N43-Y46 VanDerWaalsContact CA-O 3.3Å; N43-Y46 WeakPolarHBondContact CA-O 3.41Å; N43-Y46 CarbonylContact O-C 3.6Å; N43-Y46 VanDerWaalsContact O-C 3.3Å; Y46-F48 WeakPolarHBondContact O-CD1 3.45Å; Y46-F48 PolarHBondContact O-N 3.38Å; Y46-H195 HydrophobicContact CE1-CB 4.49Å; Y46-H195 AromaticContact CE1-CE1 3.84Å; Y46-H195 AromaticContact CE1-CG 3.84Å; Y46-H195 AromaticContact CE1-ND1 3.73Å; Y46-H195 HydrophobicContact CE2-CB 4.39Å; Y46-H195 AromaticContact CZ-CG 3.94Å; Y46-V197 HydrophobicContact CD2-CG2 4.15Å; Y46-V197 HydrophobicContact CE2-CG1 4.17Å; Y46-V197 HydrophobicContact CE2-CG2 3.53Å; Y46-M212 HydrophobicContact CD2-SD 4.19Å; Y46-M212 HydrophobicContact CG-SD 4.21Å
47P96.8Very high97.8Very high89 Ų8936.5 Ų36.558%0.57819%0.186SC*.  trans-78.367.7-17330.9-36000112.5N43 K50N43-P47 WeakPolarHBondContact O-CA 3.49Å; P47-K50 WeakPolarHBondContact O-CE 3.3Å
48F97.8Very high98Very high11 Ų1136.3 Ų36.35%0.04819%0.185CC..  trans-87.3-21.8-175.874.7-82.8000113.7L39 I42 N43 Y46 M53 A128 V130 C169 L171 M212L39-F48 HydrophobicContact CD1-CZ 4.2Å; I42-F48 HydrophobicContact CG2-CE1 3.99Å; N43-F48 HydrophobicContact CB-CE1 4.4Å; N43-F48 PolarHBondContact OD1-N 3.34Å; Y46-F48 WeakPolarHBondContact O-CD1 3.45Å; Y46-F48 PolarHBondContact O-N 3.38Å; F48-M53 VanDerWaalsContact O-SD 3.42Å; F48-A128 HydrophobicContact CD2-CB 4.2Å; F48-A128 HydrophobicContact CE2-CB 4.23Å; F48-V130 HydrophobicContact CE2-CG1 3.66Å; F48-V130 HydrophobicContact CZ-CG1 3.86Å; F48-C169 HydrophobicContact CB-CB 4.48Å; F48-C169 HydrophobicContact CD2-CB 3.89Å; F48-L171 HydrophobicContact CE1-CD2 4.39Å; F48-L171 HydrophobicContact CZ-CB 4.35Å; F48-L171 HydrophobicContact CZ-CD2 3.85Å; F48-M212 HydrophobicContact CB-CE 3.41Å; F48-M212 VanDerWaalsContact CB-CE 3.41Å; F48-M212 HydrophobicContact CD1-CE 3.31Å; F48-M212 HydrophobicContact CD1-SD 4.1Å; F48-M212 HydrophobicContact CD2-CE 4.12Å; F48-M212 HydrophobicContact CE1-CE 4.13Å; F48-M212 HydrophobicContact CE1-SD 4.43Å; F48-M212 HydrophobicContact CG-CE 3.35Å
49I98.7Very high98.1Very high5 Ų536.4 Ų36.43%0.02619%0.19CC..  trans-100.7127.3173-53-59.2000110N43 V55 L69 L72 V73 A128N43-I49 PolarHBondContact ND2-O 3.45Å; N43-I49 WeakPolarHBondContact OD1-CB 3.26Å; N43-I49 PolarHBondContact OD1-N 3.06Å; I49-V55 HydrophobicContact CD1-CG1 4.21Å; I49-V55 HydrophobicContact CD1-CG2 3.87Å; I49-V55 HydrophobicContact CG2-CG2 4.16Å; I49-L69 HydrophobicContact CD1-CD2 4.5Å; I49-L69 HydrophobicContact CG1-CD2 4.17Å; I49-L69 HydrophobicContact CG2-CD2 4.2Å; I49-L72 HydrophobicContact CB-CB 4.47Å; I49-L72 HydrophobicContact CB-CD1 4.11Å; I49-L72 HydrophobicContact CG2-CB 3.7Å; I49-L72 HydrophobicContact CG2-CD1 4.08Å; I49-V73 HydrophobicContact CG2-CG1 3.54Å; I49-A128 HydrophobicContact CD1-CB 3.25Å
50K98.3Very high98.1Very high128 Ų12836.6 Ų36.656%0.55719%0.192SC*.  trans-133.1164.2-179-59.1-179.9-177.2175.30111.1P47 M53 L72P47-K50 WeakPolarHBondContact O-CE 3.3Å; K50-M53 HydrophobicContact CB-CE 4.12Å; K50-M53 HydrophobicContact CB-SD 4.11Å; K50-M53 HydrophobicContact CD-CE 4.42Å; K50-M53 HydrophobicContact CG-CE 4.28Å; K50-M53 PolarHBondContact N-SD 3.06Å; K50-M53 WeakPolarHBondContact O-CB 3.14Å; K50-M53 WeakPolarHBondContact O-CG 3.37Å; K50-M53 PolarHBondContact O-N 3.46Å; K50-L72 CarbonylContact C-O 3.56Å
51A98.7Very high98.1Very high26 Ų2636.4 Ų36.422%0.21520%0.197CC..THydrogen-bonded Turntrans-53.2144.6172.300000111.4M53 L72 N74 Q82 P83A51-M53 VanDerWaalsContact C-N 3.28Å; A51-M53 PolarHBondContact O-N 3.42Å; A51-L72 WeakPolarHBondContact CA-O 3.34Å; A51-L72 PolarHBondContact N-O 3.44Å; A51-L72 VanDerWaalsContact N-O 3.15Å; A51-N74 HydrophobicContact CB-CB 4.25Å; A51-Q82 HydrophobicContact CB-CB 3.84Å; A51-Q82 HydrophobicContact CB-CG 4.32Å; A51-P83 HydrophobicContact CB-CG 4.31Å
52G98.6Very high98.1Very high29 Ų2937.9 Ų37.930%0.29921%0.21SC..THydrogen-bonded Turntrans83-8.717900000115.8V73 P83 G85G52-V73 PolarHBondContact N-O 3.3Å; G52-V73 VanDerWaalsContact N-O 3.1Å; G52-P83 PolarHBondContact N-O 3.1Å; G52-P83 VanDerWaalsContact N-O 3.11Å; G52-G85 VanDerWaalsContact C-CA 3.48Å
53M98.8Very high98.1Very high40 Ų4037.8 Ų37.820%0.19721%0.209CC..  trans-75.6147.4-179-72.6-176.9164.400113.2F48 K50 A51 V55 V73 G85 R86 D127F48-M53 VanDerWaalsContact O-SD 3.42Å; K50-M53 HydrophobicContact CB-CE 4.12Å; K50-M53 HydrophobicContact CB-SD 4.11Å; K50-M53 HydrophobicContact CD-CE 4.42Å; K50-M53 HydrophobicContact CG-CE 4.28Å; K50-M53 PolarHBondContact N-SD 3.06Å; K50-M53 WeakPolarHBondContact O-CB 3.14Å; K50-M53 WeakPolarHBondContact O-CG 3.37Å; K50-M53 PolarHBondContact O-N 3.46Å; A51-M53 VanDerWaalsContact C-N 3.28Å; A51-M53 PolarHBondContact O-N 3.42Å; M53-V55 HydrophobicContact CB-CG2 4.14Å; M53-V73 HydrophobicContact CB-CG1 4.18Å; M53-G85 CarbonylContact O-C 3.49Å; M53-G85 VanDerWaalsContact O-CA 3.26Å; M53-G85 WeakPolarHBondContact O-CA 3.47Å; M53-R86 PolarHBondContact O-N 3.4Å; M53-D127 WeakPolarHBondContact CA-OD2 3.4Å; M53-D127 HydrophobicContact CB-CB 3.85Å; M53-D127 HydrophobicContact CE-CB 4.5Å; M53-D127 HydrophobicContact CG-CB 3.8Å; M53-D127 HydrophobicContact SD-CB 4.11Å
54T98.9Very high98.1Very high16 Ų1637.1 Ų37.110%0.09821%0.206CC..EExtended strand (participates in β ladder)trans-87.7120.6161.6-67.80000109R86 D125 V126 D127 A128T54-R86 CarbonylContact C-O 3.39Å; T54-R86 WeakPolarHBondContact CA-O 3.38Å; T54-D125 WeakPolarHBondContact CB-O 3.37Å; T54-D125 WeakPolarHBondContact CG2-O 3.34Å; T54-V126 HydrophobicContact CG2-CG2 4.29Å; T54-D127 PolarHBondContact N-OD2 3.21Å; T54-D127 PolarHBondContact O-N 2.77Å; T54-A128 PolarHBondContact O-N 3.41Å
55V98.9Very high98.1Very high0 Ų030.8 Ų30.80%018%0.176CC..EExtended strand (participates in β ladder)trans-123130.8-179.1-173.90000111.1I49 M53 L69 V73 R86 V87 I88 A128 V130I49-V55 HydrophobicContact CD1-CG1 4.21Å; I49-V55 HydrophobicContact CD1-CG2 3.87Å; I49-V55 HydrophobicContact CG2-CG2 4.16Å; M53-V55 HydrophobicContact CB-CG2 4.14Å; V55-L69 HydrophobicContact CB-CD2 4.46Å; V55-L69 HydrophobicContact CG1-CD1 3.83Å; V55-L69 HydrophobicContact CG1-CD2 3.79Å; V55-L69 HydrophobicContact CG1-CG 4.37Å; V55-V73 HydrophobicContact CG2-CG1 3.61Å; V55-R86 PolarHBondContact N-O 2.85Å; V55-V87 WeakPolarHBondContact O-CA 3.48Å; V55-I88 PolarHBondContact O-N 2.91Å; V55-A128 VanDerWaalsContact CA-O 3.3Å; V55-A128 WeakPolarHBondContact CA-O 3.4Å; V55-A128 HydrophobicContact CG1-CB 4.32Å; V55-A128 WeakPolarHBondContact CG1-O 3.25Å; V55-A128 HydrophobicContact CG2-CB 4.34Å; V55-V130 HydrophobicContact CG1-CG1 4.46Å; V55-V130 HydrophobicContact CG1-CG2 4.27Å
56L98.8Very high98.2Very high0 Ų024.4 Ų24.40%015%0.148CC..EExtended strand (participates in β ladder)trans-101117.2173.9-17561.1000109.8L58 I88 V90 L122 V126 A128 L129 V130 I158 V162L56-L58 HydrophobicContact CD1-CD2 4.02Å; L56-L58 HydrophobicContact CD2-CD2 3.92Å; L56-L58 HydrophobicContact CD2-CG 4.41Å; L56-L58 HydrophobicContact CG-CD2 3.69Å; L56-L58 HydrophobicContact CG-CG 4.17Å; L56-I88 HydrophobicContact CD1-CB 3.81Å; L56-I88 HydrophobicContact CD1-CG2 3.73Å; L56-V90 HydrophobicContact CD1-CG2 3.72Å; L56-L122 HydrophobicContact CD1-CD1 4.39Å; L56-L122 HydrophobicContact CD2-CD1 4.38Å; L56-V126 HydrophobicContact CB-CG1 3.97Å; L56-A128 PolarHBondContact N-O 3.31Å; L56-L129 HydrophobicContact CB-CG 4.25Å; L56-L129 HydrophobicContact CD2-CD1 3.87Å; L56-L129 HydrophobicContact CD2-CG 4.2Å; L56-L129 HydrophobicContact CG-CG 4.36Å; L56-L129 WeakPolarHBondContact O-CA 3.35Å; L56-V130 PolarHBondContact O-N 3.36Å; L56-I158 HydrophobicContact CD2-CG2 4.1Å; L56-V162 HydrophobicContact CD2-CG2 4.26Å
57D98.8Very high98.3Very high0 Ų024.1 Ų24.10%015%0.148CC..EExtended strand (participates in β ladder)trans-103.6102-179.8-17619.2000109.5A60 S66 L69 I88 V90 V130D57-A60 HydrophobicContact CB-CB 4.36Å; D57-A60 WeakPolarHBondContact OD2-CB 3.39Å; D57-S66 WeakPolarHBondContact OD2-CA 3.28Å; D57-S66 WeakPolarHBondContact OD2-CB 3.39Å; D57-S66 PolarHBondContact OD2-N 3.33Å; D57-S66 PolarHBondContact OD2-OG 3.15Å; D57-L69 HydrophobicContact CB-CD1 3.67Å; D57-I88 PolarHBondContact N-O 3.19Å; D57-V90 PolarHBondContact O-N 2.93Å; D57-V130 HydrophobicContact CB-CG2 4.25Å
58L98.7Very high98.4Very high0 Ų020 Ų200%012%0.122CC..EExtended strand (participates in β ladder)trans-96.8125.4-176.6-63.9-166.9000111.8L56 V90 L109 L118 L129 V130 S131 C155 I158L56-L58 HydrophobicContact CD1-CD2 4.02Å; L56-L58 HydrophobicContact CD2-CD2 3.92Å; L56-L58 HydrophobicContact CD2-CG 4.41Å; L56-L58 HydrophobicContact CG-CD2 3.69Å; L56-L58 HydrophobicContact CG-CG 4.17Å; L58-V90 HydrophobicContact CD2-CB 3.83Å; L58-V90 HydrophobicContact CD2-CG1 4.38Å; L58-V90 HydrophobicContact CD2-CG2 4.09Å; L58-L109 HydrophobicContact CB-CD1 3.82Å; L58-L109 HydrophobicContact CB-CD2 4.48Å; L58-L109 HydrophobicContact CD1-CD1 4.29Å; L58-L109 HydrophobicContact CD1-CD2 4.16Å; L58-L109 HydrophobicContact CD2-CD2 3.92Å; L58-L109 HydrophobicContact CG-CD2 4.43Å; L58-L118 HydrophobicContact CD2-CD1 4.39Å; L58-L129 HydrophobicContact CD1-CD1 3.9Å; L58-L129 HydrophobicContact CD1-CD2 3.72Å; L58-L129 HydrophobicContact CD1-CG 4.11Å; L58-L129 HydrophobicContact CG-CD1 4.41Å; L58-L129 HydrophobicContact CG-CD2 3.93Å; L58-L129 HydrophobicContact CG-CG 4.2Å; L58-V130 PolarHBondContact N-O 2.8Å; L58-S131 WeakPolarHBondContact O-CA 3.37Å; L58-S131 WeakPolarHBondContact O-CB 3.46Å; L58-S131 PolarHBondContact O-OG 2.99Å; L58-C155 HydrophobicContact CD1-CB 4.14Å; L58-I158 HydrophobicContact CD1-CD1 3.77Å; L58-I158 HydrophobicContact CD1-CG2 4.43Å
59G97.7Very high98.4Very high15 Ų1519.5 Ų19.516%0.15512%0.119CC..THydrogen-bonded Turntrans78.342.9-169.200000111.2A61 V90 D91G59-A61 VanDerWaalsContact C-N 3.35Å; G59-A61 PolarHBondContact O-N 3.09Å; G59-V90 PolarHBondContact N-O 2.86Å; G59-D91 WeakPolarHBondContact CA-OD2 3.49Å
60A98.3Very high98.4Very high4 Ų419.7 Ų19.73%0.03312%0.121CC..  trans-72.6-21.5-169.400000113.9D57 P62 G63 V90 D91 I95D57-A60 HydrophobicContact CB-CB 4.36Å; D57-A60 WeakPolarHBondContact OD2-CB 3.39Å; A60-P62 CarbonylContact O-C 3.58Å; A60-G63 WeakPolarHBondContact O-CA 3.35Å; A60-G63 PolarHBondContact O-N 2.85Å; A60-V90 PolarHBondContact N-O 3.36Å; A60-D91 PolarHBondContact N-OD2 3.09Å; A60-D91 VanDerWaalsContact N-OD2 3.09Å; A60-I95 HydrophobicContact CB-CD1 3.87Å
61A97.8Very high98.4Very high33 Ų3319.9 Ų19.927%0.27312%0.122SC..THydrogen-bonded Turntrans-63.5133.9-175.500000111.4G59 D91 E93 I95G59-A61 VanDerWaalsContact C-N 3.35Å; G59-A61 PolarHBondContact O-N 3.09Å; A61-D91 HydrophobicContact CB-CB 3.98Å; A61-D91 VanDerWaalsContact CB-CG 3.43Å; A61-D91 VanDerWaalsContact CB-OD2 3.26Å; A61-D91 WeakPolarHBondContact CB-OD2 3.34Å; A61-D91 PolarHBondContact N-OD2 3.11Å; A61-E93 HydrophobicContact CB-CB 4.15Å; A61-I95 HydrophobicContact CB-CG1 3.96Å
62P97Very high98.4Very high67 Ų6721.2 Ų21.244%0.43513%0.125SC..THydrogen-bonded Turncis-90.13.97.536.5-37.4000115R32 C33 A60R32-P62 HydrophobicContact CB-CG 4.33Å; R32-P62 WeakPolarHBondContact CD-O 3.46Å; R32-P62 PolarHBondContact NH1-O 2.92Å; C33-P62 HydrophobicContact CB-CG 3.84Å; A60-P62 CarbonylContact O-C 3.58Å
63G97.4Very high98.4Very high0 Ų019.8 Ų19.80%011%0.111CC..  trans11810.8173.500000115.6A60 S66 Q67A60-G63 WeakPolarHBondContact O-CA 3.35Å; A60-G63 PolarHBondContact O-N 2.85Å; G63-S66 PolarHBondContact O-N 2.94Å; G63-Q67 WeakPolarHBondContact O-CG 3.39Å; G63-Q67 PolarHBondContact O-N 2.82Å
64G97.7Very high98.4Very high1 Ų118.6 Ų18.61%0.0111%0.105CC..Hα-helixtrans-67.3-39.6-175.500000113.5C33 A36 V68C33-G64 VanDerWaalsContact SG-CA 3.54Å; A36-G64 WeakPolarHBondContact CB-O 3.21Å; G64-V68 WeakPolarHBondContact O-CG2 3.33Å; G64-V68 PolarHBondContact O-N 2.82Å
65W98.6Very high98.4Very high6 Ų618.7 Ų18.72%0.02311%0.107CC..Hα-helixtrans-66.4-45.5172.8-8327.3000110.7S35 L39 Q67 V68 L69 V130 D132 L171 Y210S35-W65 PolarHBondContact O-NE1 3.06Å; L39-W65 HydrophobicContact CB-CD2 3.89Å; L39-W65 HydrophobicContact CB-CG 4.01Å; L39-W65 HydrophobicContact CB-CZ2 4.14Å; L39-W65 HydrophobicContact CD1-CE3 4.39Å; L39-W65 HydrophobicContact CD1-CZ3 4.4Å; L39-W65 HydrophobicContact CD2-CB 3.87Å; L39-W65 HydrophobicContact CD2-CD2 3.9Å; L39-W65 HydrophobicContact CD2-CE3 4.13Å; L39-W65 HydrophobicContact CD2-CG 3.83Å; L39-W65 HydrophobicContact CG-CD2 4.33Å; W65-Q67 VanDerWaalsContact C-N 3.29Å; W65-Q67 PolarHBondContact O-N 2.85Å; W65-V68 CarbonylContact O-C 3.48Å; W65-V68 WeakPolarHBondContact O-CA 3.33Å; W65-V68 WeakPolarHBondContact O-CB 3.29Å; W65-V68 PolarHBondContact O-N 2.89Å; W65-L69 WeakPolarHBondContact O-CG 3.29Å; W65-L69 PolarHBondContact O-N 3.25Å; W65-V130 HydrophobicContact CE3-CB 4.1Å; W65-V130 HydrophobicContact CE3-CG2 3.84Å; W65-V130 HydrophobicContact CZ3-CB 3.82Å; W65-V130 HydrophobicContact CZ3-CG2 4.11Å; W65-D132 HydrophobicContact CD2-CB 3.93Å; W65-D132 HydrophobicContact CE3-CB 4.07Å; W65-D132 HydrophobicContact CH2-CB 3.95Å; W65-D132 HydrophobicContact CZ2-CB 3.78Å; W65-D132 HydrophobicContact CZ3-CB 4.06Å; W65-L171 HydrophobicContact CH2-CD2 3.79Å; W65-L171 HydrophobicContact CZ3-CD2 4.03Å; W65-Y210 AromaticContact CH2-CD1 3.9Å; W65-Y210 HydrophobicContact CH2-CD1 3.9Å; W65-Y210 AromaticContact CH2-CE1 3.43Å; W65-Y210 HydrophobicContact CH2-CE1 3.43Å; W65-Y210 VanDerWaalsContact CH2-CE1 3.43Å; W65-Y210 HydrophobicContact CZ2-CD1 4.39Å; W65-Y210 AromaticContact CZ2-CE1 3.61Å; W65-Y210 HydrophobicContact CZ2-CE1 3.61Å; W65-Y210 AromaticContact CZ2-CZ 3.95Å
66S98.8Very high98.4Very high0 Ų022.3 Ų22.30%013%0.126CC..Hα-helixtrans-57.6-39.7177.2-22.40000112.7D57 G63 V68 L69 V70 S89D57-S66 WeakPolarHBondContact OD2-CA 3.28Å; D57-S66 WeakPolarHBondContact OD2-CB 3.39Å; D57-S66 PolarHBondContact OD2-N 3.33Å; D57-S66 PolarHBondContact OD2-OG 3.15Å; G63-S66 PolarHBondContact O-N 2.94Å; S66-V68 VanDerWaalsContact C-N 3.29Å; S66-V68 PolarHBondContact O-N 2.78Å; S66-L69 PolarHBondContact O-N 3.42Å; S66-V70 WeakPolarHBondContact O-CB 3.28Å; S66-V70 VanDerWaalsContact O-CG2 3.3Å; S66-V70 WeakPolarHBondContact O-CG2 3.34Å; S66-V70 PolarHBondContact O-N 2.92Å; S66-S89 VanDerWaalsContact CB-OG 3.26Å; S66-S89 WeakPolarHBondContact CB-OG 3.26Å; S66-S89 PolarHBondContact OG-OG 3.34Å
67Q98.6Very high98.3Very high36 Ų3622.6 Ų22.617%0.16813%0.129CC..Hα-helixtrans-62-34.3173.2-75.6-179.8-60.100113.4N30 Y31 G63 W65 I98N30-Q67 PolarHBondContact O-NE2 2.94Å; Y31-Q67 HydrophobicContact CD1-CB 3.82Å; Y31-Q67 HydrophobicContact CE1-CB 3.93Å; G63-Q67 WeakPolarHBondContact O-CG 3.39Å; G63-Q67 PolarHBondContact O-N 2.82Å; W65-Q67 VanDerWaalsContact C-N 3.29Å; W65-Q67 PolarHBondContact O-N 2.85Å; Q67-I98 HydrophobicContact CG-CG2 4.17Å
68V98.7Very high98.1Very high3 Ų330.5 Ų30.52%0.01817%0.166CC..Hα-helixtrans-71.4-47.2174.6173.60000109.6Y31 A36 L39 K40 G64 W65 S66 V70 K71 L72Y31-V68 HydrophobicContact CD1-CG2 4.16Å; Y31-V68 HydrophobicContact CE1-CB 4.49Å; Y31-V68 HydrophobicContact CE1-CG2 3.45Å; Y31-V68 VanDerWaalsContact CE1-CG2 3.45Å; A36-V68 HydrophobicContact CB-CG2 3.82Å; L39-V68 HydrophobicContact CD2-CB 4.19Å; L39-V68 HydrophobicContact CD2-CG1 4.11Å; L39-V68 HydrophobicContact CG-CG1 4.2Å; K40-V68 HydrophobicContact CD-CG2 4.28Å; K40-V68 HydrophobicContact CG-CB 4.48Å; K40-V68 HydrophobicContact CG-CG1 3.73Å; K40-V68 HydrophobicContact CG-CG2 3.83Å; G64-V68 WeakPolarHBondContact O-CG2 3.33Å; G64-V68 PolarHBondContact O-N 2.82Å; W65-V68 CarbonylContact O-C 3.48Å; W65-V68 WeakPolarHBondContact O-CA 3.33Å; W65-V68 WeakPolarHBondContact O-CB 3.29Å; W65-V68 PolarHBondContact O-N 2.89Å; S66-V68 VanDerWaalsContact C-N 3.29Å; S66-V68 PolarHBondContact O-N 2.78Å; V68-V70 PolarHBondContact O-N 2.87Å; V68-K71 WeakPolarHBondContact O-CB 3.39Å; V68-K71 PolarHBondContact O-N 3Å; V68-L72 HydrophobicContact CG1-CD1 3.67Å; V68-L72 HydrophobicContact CG1-CG 4.12Å; V68-L72 WeakPolarHBondContact O-CG 3.36Å; V68-L72 PolarHBondContact O-N 3.12Å
69L98.9Very high98Very high0 Ų034.2 Ų34.20%019%0.186CC..Hα-helixtrans-59.4-45.1-179.6-67.9172.8000112.4L39 I49 V55 D57 W65 S66 K71 L72 V73 V87 V130L39-L69 HydrophobicContact CD2-CD1 4.41Å; L39-L69 HydrophobicContact CD2-CD2 3.75Å; L39-L69 HydrophobicContact CD2-CG 3.76Å; I49-L69 HydrophobicContact CD1-CD2 4.5Å; I49-L69 HydrophobicContact CG1-CD2 4.17Å; I49-L69 HydrophobicContact CG2-CD2 4.2Å; V55-L69 HydrophobicContact CB-CD2 4.46Å; V55-L69 HydrophobicContact CG1-CD1 3.83Å; V55-L69 HydrophobicContact CG1-CD2 3.79Å; V55-L69 HydrophobicContact CG1-CG 4.37Å; D57-L69 HydrophobicContact CB-CD1 3.67Å; W65-L69 WeakPolarHBondContact O-CG 3.29Å; W65-L69 PolarHBondContact O-N 3.25Å; S66-L69 PolarHBondContact O-N 3.42Å; L69-K71 PolarHBondContact O-N 2.9Å; L69-L72 PolarHBondContact O-N 3.34Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 3.3Å; L69-V87 HydrophobicContact CB-CG1 4.06Å; L69-V87 HydrophobicContact CB-CG2 3.78Å; L69-V87 HydrophobicContact CD1-CG1 4.23Å; L69-V130 HydrophobicContact CD1-CG2 3.84Å
70V98.8Very high98Very high9 Ų942.3 Ų42.36%0.05522%0.216CC..Hα-helixtrans-54.1-39.8177.8162.30000111.6S66 V68 N74 A75 I76 V87 I98 A101S66-V70 WeakPolarHBondContact O-CB 3.28Å; S66-V70 VanDerWaalsContact O-CG2 3.3Å; S66-V70 WeakPolarHBondContact O-CG2 3.34Å; S66-V70 PolarHBondContact O-N 2.92Å; V68-V70 PolarHBondContact O-N 2.87Å; V70-N74 PolarHBondContact O-N 3.36Å; V70-A75 HydrophobicContact CB-CB 4.48Å; V70-A75 HydrophobicContact CG1-CB 4.28Å; V70-A75 HydrophobicContact CG2-CB 4.42Å; V70-A75 PolarHBondContact O-N 3.37Å; V70-I76 HydrophobicContact CG1-CD1 3.71Å; V70-I76 HydrophobicContact CG1-CG1 3.93Å; V70-V87 HydrophobicContact CG2-CB 4.23Å; V70-V87 HydrophobicContact CG2-CG2 4.03Å; V70-I98 HydrophobicContact CG2-CG2 4.38Å; V70-A101 HydrophobicContact CG2-CB 3.86Å
71K98.3Very high97.9Very high132 Ų13247.8 Ų47.857%0.57425%0.253SS*.Hα-helixtrans-71.8-48.4176-64.3176.9-177.3179.90111.2Y31 V68 L69 V73 N74Y31-K71 PolarHBondContact OH-NZ 3.27Å; V68-K71 WeakPolarHBondContact O-CB 3.39Å; V68-K71 PolarHBondContact O-N 3Å; L69-K71 PolarHBondContact O-N 2.9Å; K71-V73 PolarHBondContact O-N 3.5Å; K71-N74 PolarHBondContact O-N 2.91Å
72L98.6Very high98Very high54 Ų5450.9 Ų50.928%0.28326%0.262SS..Hα-helixtrans-62.3-40.9-176.1-70.5175.3000112.9N43 I49 K50 A51 V68 L69 N74N43-L72 HydrophobicContact CB-CD1 4.31Å; I49-L72 HydrophobicContact CB-CB 4.47Å; I49-L72 HydrophobicContact CB-CD1 4.11Å; I49-L72 HydrophobicContact CG2-CB 3.7Å; I49-L72 HydrophobicContact CG2-CD1 4.08Å; K50-L72 CarbonylContact C-O 3.56Å; A51-L72 WeakPolarHBondContact CA-O 3.34Å; A51-L72 PolarHBondContact N-O 3.44Å; A51-L72 VanDerWaalsContact N-O 3.15Å; V68-L72 HydrophobicContact CG1-CD1 3.67Å; V68-L72 HydrophobicContact CG1-CG 4.12Å; V68-L72 WeakPolarHBondContact O-CG 3.36Å; V68-L72 PolarHBondContact O-N 3.12Å; L69-L72 PolarHBondContact O-N 3.34Å; L72-N74 VanDerWaalsContact C-N 3.29Å
73V98.8Very high98Very high0 Ų051.3 Ų51.30%027%0.265CS..THydrogen-bonded Turntrans-88.51-179.5-47.50000113I49 G52 M53 V55 L69 K71 A75 G85 V87I49-V73 HydrophobicContact CG2-CG1 3.54Å; G52-V73 PolarHBondContact N-O 3.3Å; G52-V73 VanDerWaalsContact N-O 3.1Å; M53-V73 HydrophobicContact CB-CG1 4.18Å; V55-V73 HydrophobicContact CG2-CG1 3.61Å; L69-V73 WeakPolarHBondContact O-CG2 3.38Å; L69-V73 PolarHBondContact O-N 3.3Å; K71-V73 PolarHBondContact O-N 3.5Å; V73-A75 VanDerWaalsContact C-N 3.31Å; V73-A75 HydrophobicContact CG2-CB 3.75Å; V73-A75 PolarHBondContact O-N 3.38Å; V73-G85 WeakPolarHBondContact O-CA 3.17Å; V73-G85 PolarHBondContact O-N 2.93Å; V73-V87 HydrophobicContact CG2-CG2 3.59Å
74N98.6Very high98.1Very high14 Ų1455.5 Ų55.58%0.07529%0.291CS..THydrogen-bonded Turntrans54.643.2-174.3-17337.9000112.5A51 V70 K71 L72 I76 G77 Q78 D79 Q82 P83 T84A51-N74 HydrophobicContact CB-CB 4.25Å; V70-N74 PolarHBondContact O-N 3.36Å; K71-N74 PolarHBondContact O-N 2.91Å; L72-N74 VanDerWaalsContact C-N 3.29Å; N74-I76 PolarHBondContact O-N 2.95Å; N74-G77 PolarHBondContact O-N 3.42Å; N74-G77 WeakPolarHBondContact OD1-CA 3.09Å; N74-Q78 PolarHBondContact OD1-N 3.26Å; N74-D79 PolarHBondContact ND2-O 2.78Å; N74-D79 PolarHBondContact OD1-N 2.86Å; N74-Q82 PolarHBondContact ND2-O 2.71Å; N74-P83 PolarHBondContact ND2-O 2.82Å; N74-T84 WeakPolarHBondContact O-CG2 3.3Å
75A98.7Very high98.1Very high18 Ų1856 Ų5615%0.14930%0.296CS..THydrogen-bonded Turntrans-64.8-25-170.800000114.3V70 V73 G77 G85 V87 G100V70-A75 HydrophobicContact CB-CB 4.48Å; V70-A75 HydrophobicContact CG1-CB 4.28Å; V70-A75 HydrophobicContact CG2-CB 4.42Å; V70-A75 PolarHBondContact O-N 3.37Å; V73-A75 VanDerWaalsContact C-N 3.31Å; V73-A75 HydrophobicContact CG2-CB 3.75Å; V73-A75 PolarHBondContact O-N 3.38Å; A75-G77 VanDerWaalsContact C-N 3.33Å; A75-G85 WeakPolarHBondContact CA-O 3.5Å; A75-V87 HydrophobicContact CB-CG2 4.33Å; A75-G100 VanDerWaalsContact CB-O 3.23Å; A75-G100 WeakPolarHBondContact CB-O 3.36Å
76I98.2Very high98.1Very high76 Ų7660.1 Ų60.139%0.3931%0.311SS..THydrogen-bonded Turntrans-83.4-13.9175.7-62165.4000111.1V70 N74 H99V70-I76 HydrophobicContact CG1-CD1 3.71Å; V70-I76 HydrophobicContact CG1-CG1 3.93Å; N74-I76 PolarHBondContact O-N 2.95Å; I76-H99 WeakPolarHBondContact CD1-ND1 3.26Å
77G97.6Very high98.1Very high6 Ų660.2 Ų60.26%0.06231%0.312CS..  trans65.838.7-172.900000112.3N74 A75 K80N74-G77 PolarHBondContact O-N 3.42Å; N74-G77 WeakPolarHBondContact OD1-CA 3.09Å; A75-G77 VanDerWaalsContact C-N 3.33Å; G77-K80 WeakPolarHBondContact O-CE 3.21Å; G77-K80 PolarHBondContact O-NZ 3.44Å
78Q95.3Very high98.2Very high167 Ų16758.6 Ų58.678%0.7830%0.304SS*.  trans-74.6-40.5179.7-173.5176.39.300110.9N74 K80N74-Q78 PolarHBondContact OD1-N 3.26Å; Q78-K80 PolarHBondContact O-N 3.26Å
79D96.3Very high98.2Very high78 Ų7858.5 Ų58.542%0.41730%0.303SS..SBendtrans-84.4108.2169.3-173-14.6000109N74 C81 Q82N74-D79 PolarHBondContact ND2-O 2.78Å; N74-D79 PolarHBondContact OD1-N 2.86Å; D79-C81 PolarHBondContact O-N 3.2Å; D79-C81 WeakPolarHBondContact OD1-CB 3.39Å; D79-C81 PolarHBondContact OD1-N 3.17Å; D79-Q82 HydrophobicContact CB-CB 4.25Å; D79-Q82 HydrophobicContact CB-CG 4.32Å; D79-Q82 PolarHBondContact O-N 3Å; D79-Q82 VanDerWaalsContact OD2-CG 3.22Å; D79-Q82 WeakPolarHBondContact OD2-CG 3.43Å
80K96.6Very high98.1Very high184 Ų18458.5 Ų58.580%0.830%0.303SS*.THydrogen-bonded Turntrans-74.9-13-178.8-61.2-56.3-175.2-165.50113.5G77 Q78G77-K80 WeakPolarHBondContact O-CE 3.21Å; G77-K80 PolarHBondContact O-NZ 3.44Å; Q78-K80 PolarHBondContact O-N 3.26Å
81C97.5Very high98.1Very high119 Ų11958.8 Ų58.880%0.80431%0.305SS*.THydrogen-bonded Turntrans-90.2-4.1178.4-62.60000112.6D79D79-C81 PolarHBondContact O-N 3.2Å; D79-C81 WeakPolarHBondContact OD1-CB 3.39Å; D79-C81 PolarHBondContact OD1-N 3.17Å
82Q98.3Very high98Very high98 Ų9856.3 Ų56.346%0.45829%0.294SS..SBendtrans-119.7149.1-178-67.7-68.2-24.100110.9A51 N74 D79A51-Q82 HydrophobicContact CB-CB 3.84Å; A51-Q82 HydrophobicContact CB-CG 4.32Å; N74-Q82 PolarHBondContact ND2-O 2.71Å; D79-Q82 HydrophobicContact CB-CB 4.25Å; D79-Q82 HydrophobicContact CB-CG 4.32Å; D79-Q82 PolarHBondContact O-N 3Å; D79-Q82 VanDerWaalsContact OD2-CG 3.22Å; D79-Q82 WeakPolarHBondContact OD2-CG 3.43Å
83P98.5Very high97.9Very high77 Ų7758.1 Ų58.150%0.530%0.301SS..  trans-63.6148.5174.326.8-33.5000111.4A51 G52 N74A51-P83 HydrophobicContact CB-CG 4.31Å; G52-P83 PolarHBondContact N-O 3.1Å; G52-P83 VanDerWaalsContact N-O 3.11Å; N74-P83 PolarHBondContact ND2-O 2.82Å
84T98.7Very high97.9Very high88 Ų8864.7 Ų64.754%0.5433%0.327SS..  trans-86.9122.3176-59.30000109.7N74N74-T84 WeakPolarHBondContact O-CG2 3.3Å
85G98.7Very high97.8Very high11 Ų1164.1 Ų64.111%0.11332%0.324CS..  trans-94.5-171.1174.400000113.2G52 M53 V73 A75G52-G85 VanDerWaalsContact C-CA 3.48Å; M53-G85 CarbonylContact O-C 3.49Å; M53-G85 VanDerWaalsContact O-CA 3.26Å; M53-G85 WeakPolarHBondContact O-CA 3.47Å; V73-G85 WeakPolarHBondContact O-CA 3.17Å; V73-G85 PolarHBondContact O-N 2.93Å; A75-G85 WeakPolarHBondContact CA-O 3.5Å
86R98.6Very high97.7Very high93 Ų9369.1 Ų69.135%0.35135%0.345SS..EExtended strand (participates in β ladder)trans-134.8138.8-180179.3173.758.6170.6-3.8110.2M53 T54 V55 I88 D125M53-R86 PolarHBondContact O-N 3.4Å; T54-R86 CarbonylContact C-O 3.39Å; T54-R86 WeakPolarHBondContact CA-O 3.38Å; V55-R86 PolarHBondContact N-O 2.85Å; R86-I88 HydrophobicContact CG-CG1 4.25Å; R86-D125 IonicContact CZ-OD2 2.75Å; R86-D125 IonicContact NH2-OD2 2.73Å; R86-D125 PolarHBondContact NH2-OD2 3.39Å
87V98.9Very high97.7Very high1 Ų169.9 Ų69.91%0.00636%0.355CS..EExtended strand (participates in β ladder)trans-118.3126.7172.7-178.80000109.1V55 L69 V70 V73 A75 A101 Q102V55-V87 WeakPolarHBondContact O-CA 3.48Å; L69-V87 HydrophobicContact CB-CG1 4.06Å; L69-V87 HydrophobicContact CB-CG2 3.78Å; L69-V87 HydrophobicContact CD1-CG1 4.23Å; V70-V87 HydrophobicContact CG2-CB 4.23Å; V70-V87 HydrophobicContact CG2-CG2 4.03Å; V73-V87 HydrophobicContact CG2-CG2 3.59Å; A75-V87 HydrophobicContact CB-CG2 4.33Å; V87-A101 HydrophobicContact CB-CB 4.02Å; V87-A101 HydrophobicContact CG1-CB 3.96Å; V87-A101 WeakPolarHBondContact O-CA 3.48Å; V87-Q102 PolarHBondContact O-N 3.14Å
88I98.7Very high97.7Very high3 Ų370.2 Ų70.22%0.01536%0.355CS..EExtended strand (participates in β ladder)trans-114116.7173.5-54.6169.8000106.9V55 L56 D57 R86 V90 Q102 I104 L122V55-I88 PolarHBondContact O-N 2.91Å; L56-I88 HydrophobicContact CD1-CB 3.81Å; L56-I88 HydrophobicContact CD1-CG2 3.73Å; D57-I88 PolarHBondContact N-O 3.19Å; R86-I88 HydrophobicContact CG-CG1 4.25Å; I88-V90 HydrophobicContact CG2-CG2 4.11Å; I88-Q102 CarbonylContact C-O 3.41Å; I88-I104 HydrophobicContact CG2-CD1 3.95Å; I88-L122 HydrophobicContact CD1-CD1 3.92Å; I88-L122 HydrophobicContact CD1-CD2 3.59Å; I88-L122 HydrophobicContact CD1-CG 4.42Å
89S98.8Very high97.8Very high0 Ų069.5 Ų69.50%035%0.352CS..EExtended strand (participates in β ladder)trans-109.8118.7-174.3-57.30000109.9S66 Q102 I104S66-S89 VanDerWaalsContact CB-OG 3.26Å; S66-S89 WeakPolarHBondContact CB-OG 3.26Å; S66-S89 PolarHBondContact OG-OG 3.34Å; S89-Q102 PolarHBondContact N-O 3.01Å; S89-I104 PolarHBondContact O-N 3.3Å
90V98.6Very high97.9Very high0 Ų067 Ų670%035%0.345CS..EExtended strand (participates in β ladder)trans-122.2131.8-171.5-173.10000110.5L56 D57 L58 G59 A60 I88 I104 I107 L109 L118L56-V90 HydrophobicContact CD1-CG2 3.72Å; D57-V90 PolarHBondContact O-N 2.93Å; L58-V90 HydrophobicContact CD2-CB 3.83Å; L58-V90 HydrophobicContact CD2-CG1 4.38Å; L58-V90 HydrophobicContact CD2-CG2 4.09Å; G59-V90 PolarHBondContact N-O 2.86Å; A60-V90 PolarHBondContact N-O 3.36Å; I88-V90 HydrophobicContact CG2-CG2 4.11Å; V90-I104 VanDerWaalsContact CA-O 3.25Å; V90-I104 WeakPolarHBondContact CA-O 3.41Å; V90-I104 HydrophobicContact CG2-CB 4.36Å; V90-I107 HydrophobicContact CG1-CB 3.56Å; V90-I107 HydrophobicContact CG1-CG1 4.03Å; V90-I107 HydrophobicContact CG1-CG2 3.49Å; V90-I107 VanDerWaalsContact CG1-CG2 3.49Å; V90-L109 HydrophobicContact CG1-CD2 4.31Å; V90-L118 HydrophobicContact CG1-CD1 3.99Å; V90-L118 HydrophobicContact CG1-CD2 3.96Å; V90-L118 HydrophobicContact CG2-CD2 3.83Å
91D98.2Very high98Very high15 Ų1559.1 Ų59.18%0.0831%0.314CS..  trans-151.3164.3171.8-154.8-69.8000111.5G59 A60 A61 E93 I95 I104 H105 H106 I107G59-D91 WeakPolarHBondContact CA-OD2 3.49Å; A60-D91 PolarHBondContact N-OD2 3.09Å; A60-D91 VanDerWaalsContact N-OD2 3.09Å; A61-D91 HydrophobicContact CB-CB 3.98Å; A61-D91 VanDerWaalsContact CB-CG 3.43Å; A61-D91 VanDerWaalsContact CB-OD2 3.26Å; A61-D91 WeakPolarHBondContact CB-OD2 3.34Å; A61-D91 PolarHBondContact N-OD2 3.11Å; D91-E93 PolarHBondContact OD1-N 3.17Å; D91-I95 HydrophobicContact CB-CD1 3.7Å; D91-I95 HydrophobicContact CB-CG1 3.94Å; D91-I104 PolarHBondContact N-O 2.91Å; D91-I104 VanDerWaalsContact N-O 3.11Å; D91-H105 CarbonylContact O-C 3.53Å; D91-H105 VanDerWaalsContact O-C 3.26Å; D91-H105 WeakPolarHBondContact O-CA 3.25Å; D91-H106 PolarHBondContact O-N 3.21Å; D91-I107 CarbonylContact C-O 3.57Å; D91-I107 PolarHBondContact O-N 3.3Å
92K96.6Very high98Very high80 Ų8058.5 Ų58.535%0.34830%0.299SS..SBendtrans-77.8-29.5169.469.7-173179.4-1710111.5H106 I107K92-H106 WeakPolarHBondContact O-CA 3.44Å; K92-H106 PolarHBondContact O-N 2.94Å; K92-H106 PolarHBondContact O-ND1 3.2Å; K92-I107 WeakPolarHBondContact CA-O 3.35Å; K92-I107 PolarHBondContact N-O 3.09Å
93E96.8Very high98Very high93 Ų9355.8 Ų55.844%0.43529%0.289SS..SBendtrans-88.4158.8178.1-54.9-61.8162.500110.7A61 D91 I95 H105A61-E93 HydrophobicContact CB-CB 4.15Å; D91-E93 PolarHBondContact OD1-N 3.17Å; E93-I95 PolarHBondContact O-N 3.18Å; E93-H105 VanDerWaalsContact O-CB 3.29Å; E93-H105 WeakPolarHBondContact O-CB 3.44Å
94Y97.1Very high97.9Very high137 Ų13753.6 Ų53.654%0.53727%0.273SS..  trans-61.6135.5171.6175.8-101000111.2M96 P97Y94-M96 HydrophobicContact CE1-CB 4.23Å; Y94-P97 WeakPolarHBondContact OH-CD 3.49Å
95I97.6Very high97.8Very high2 Ų252.8 Ų52.81%0.0126%0.263CS..  trans-113.3120.5172.3-53.3155.4000107.4A60 A61 D91 E93 I98 V103A60-I95 HydrophobicContact CB-CD1 3.87Å; A61-I95 HydrophobicContact CB-CG1 3.96Å; D91-I95 HydrophobicContact CB-CD1 3.7Å; D91-I95 HydrophobicContact CB-CG1 3.94Å; E93-I95 PolarHBondContact O-N 3.18Å; I95-I98 HydrophobicContact CG2-CD1 3.99Å; I95-I98 HydrophobicContact CG2-CG1 4.47Å; I95-V103 HydrophobicContact CB-CG1 3.69Å; I95-V103 HydrophobicContact CD1-CG1 3.9Å; I95-V103 HydrophobicContact CG1-CG1 4.36Å; I95-V103 HydrophobicContact CG2-CG1 4.28Å; I95-V103 HydrophobicContact CG2-CG2 4.35Å
96M96.4Very high97.6Very high123 Ų12358.5 Ų58.561%0.60629%0.287SS*.  trans-56.9135.6171.3179.8176.4-77.500109.5R32 Y94 I98R32-M96 VanDerWaalsContact CZ-O 3.27Å; R32-M96 PolarHBondContact NH1-O 3Å; R32-M96 PolarHBondContact NH2-O 3.35Å; Y94-M96 HydrophobicContact CE1-CB 4.23Å; M96-I98 WeakPolarHBondContact O-CG1 3.46Å; M96-I98 PolarHBondContact O-N 3.03Å
97P97.8Very high97.5Very high92 Ų9254.9 Ų54.960%0.59727%0.274SS*.  trans-50.7138.5-174.3-30.835.1000113.7R32 Y94R32-P97 PolarHBondContact NH2-O 3.14Å; Y94-P97 WeakPolarHBondContact OH-CD 3.49Å
98I97.9Very high97.4Very high13 Ų1357.7 Ų57.77%0.06729%0.289CS..  trans-118.1115.8-179.7-57.6169.1000107R32 Q67 V70 I95 M96 G100 A101R32-I98 VanDerWaalsContact CZ-CG1 3.48Å; R32-I98 VanDerWaalsContact NH1-CG1 3.26Å; Q67-I98 HydrophobicContact CG-CG2 4.17Å; V70-I98 HydrophobicContact CG2-CG2 4.38Å; I95-I98 HydrophobicContact CG2-CD1 3.99Å; I95-I98 HydrophobicContact CG2-CG1 4.47Å; M96-I98 WeakPolarHBondContact O-CG1 3.46Å; M96-I98 PolarHBondContact O-N 3.03Å; I98-G100 PolarHBondContact O-N 3.28Å; I98-A101 HydrophobicContact CB-CB 4.12Å; I98-A101 HydrophobicContact CG2-CB 4.24Å; I98-A101 PolarHBondContact O-N 3.13Å
99H97.4Very high97.3Very high152 Ų15258 Ų5870%0.70429%0.291SS*.THydrogen-bonded Turntrans-57.9123.8177.5-175.9-131.2000110.2I76I76-H99 WeakPolarHBondContact CD1-ND1 3.26Å
100G98.1Very high97.1Very high27 Ų2761.1 Ų61.128%0.27831%0.31SS..THydrogen-bonded Turntrans92.5-4.4-175.700000115.9A75 I98A75-G100 VanDerWaalsContact CB-O 3.23Å; A75-G100 WeakPolarHBondContact CB-O 3.36Å; I98-G100 PolarHBondContact O-N 3.28Å
101A98.6Very high97Very high17 Ų1765.7 Ų65.714%0.1433%0.331CS..EExtended strand (participates in β ladder)trans-119.4139.1174.800000111.7V70 V87 I98V70-A101 HydrophobicContact CG2-CB 3.86Å; V87-A101 HydrophobicContact CB-CB 4.02Å; V87-A101 HydrophobicContact CG1-CB 3.96Å; V87-A101 WeakPolarHBondContact O-CA 3.48Å; I98-A101 HydrophobicContact CB-CB 4.12Å; I98-A101 HydrophobicContact CG2-CB 4.24Å; I98-A101 PolarHBondContact O-N 3.13Å
102Q98.4Very high96.9Very high107 Ų10769.4 Ų69.450%0.536%0.356SS..EExtended strand (participates in β ladder)trans-77.7125.2165.2-177.91792000108.4V87 I88 S89V87-Q102 PolarHBondContact O-N 3.14Å; I88-Q102 CarbonylContact C-O 3.41Å; S89-Q102 PolarHBondContact N-O 3.01Å
103V98Very high96.9Very high41 Ų4170.6 Ų70.625%0.24837%0.37CS..EExtended strand (participates in β ladder)trans-106129.7-178.6171.90000109.7I95I95-V103 HydrophobicContact CB-CG1 3.69Å; I95-V103 HydrophobicContact CD1-CG1 3.9Å; I95-V103 HydrophobicContact CG1-CG1 4.36Å; I95-V103 HydrophobicContact CG2-CG1 4.28Å; I95-V103 HydrophobicContact CG2-CG2 4.35Å
104I97.2Very high96.8Very high31 Ų3167.3 Ų67.316%0.15936%0.357CS..EExtended strand (participates in β ladder)trans-125.9118.5172.1-50.1177.9000106.7I88 S89 V90 D91 I107 Y117 L118I88-I104 HydrophobicContact CG2-CD1 3.95Å; S89-I104 PolarHBondContact O-N 3.3Å; V90-I104 VanDerWaalsContact CA-O 3.25Å; V90-I104 WeakPolarHBondContact CA-O 3.41Å; V90-I104 HydrophobicContact CG2-CB 4.36Å; D91-I104 PolarHBondContact N-O 2.91Å; D91-I104 VanDerWaalsContact N-O 3.11Å; I104-I107 HydrophobicContact CG2-CD1 4.28Å; I104-I107 HydrophobicContact CG2-CG1 3.61Å; I104-Y117 HydrophobicContact CG2-CE1 4.21Å; I104-L118 HydrophobicContact CD1-CD2 4.29Å
105H95.5Very high96.8Very high71 Ų7161.8 Ų61.833%0.32934%0.336SS..  trans-116.7173.3179.454.781.6000110.8D91 E93 I107D91-H105 CarbonylContact O-C 3.53Å; D91-H105 VanDerWaalsContact O-C 3.26Å; D91-H105 WeakPolarHBondContact O-CA 3.25Å; E93-H105 VanDerWaalsContact O-CB 3.29Å; E93-H105 WeakPolarHBondContact O-CB 3.44Å; H105-I107 VanDerWaalsContact C-N 3.25Å; H105-I107 PolarHBondContact O-N 2.95Å
106H95.4Very high96.7Very high131 Ų13166.2 Ų66.261%0.60636%0.357SS*.SBendtrans61.829.9-173.6-51.6-48.6000114.3D91 K92D91-H106 PolarHBondContact O-N 3.21Å; K92-H106 WeakPolarHBondContact O-CA 3.44Å; K92-H106 PolarHBondContact O-N 2.94Å; K92-H106 PolarHBondContact O-ND1 3.2Å
107I96.2Very high96.6Very high16 Ų1667.6 Ų67.68%0.08236%0.356CS..  trans-105.7111175-65-61.2000109.4V90 D91 K92 I104 H105 L109 C114 Y117 L118V90-I107 HydrophobicContact CG1-CB 3.56Å; V90-I107 HydrophobicContact CG1-CG1 4.03Å; V90-I107 HydrophobicContact CG1-CG2 3.49Å; V90-I107 VanDerWaalsContact CG1-CG2 3.49Å; D91-I107 CarbonylContact C-O 3.57Å; D91-I107 PolarHBondContact O-N 3.3Å; K92-I107 WeakPolarHBondContact CA-O 3.35Å; K92-I107 PolarHBondContact N-O 3.09Å; I104-I107 HydrophobicContact CG2-CD1 4.28Å; I104-I107 HydrophobicContact CG2-CG1 3.61Å; H105-I107 VanDerWaalsContact C-N 3.25Å; H105-I107 PolarHBondContact O-N 2.95Å; I107-L109 HydrophobicContact CG2-CD2 4.17Å; I107-C114 HydrophobicContact CG2-CB 4.02Å; I107-Y117 HydrophobicContact CD1-CD1 3.89Å; I107-Y117 HydrophobicContact CD1-CE1 4.28Å; I107-L118 HydrophobicContact CG2-CD1 3.73Å; I107-L118 HydrophobicContact CG2-CD2 4.33Å; I107-L118 HydrophobicContact CG2-CG 4.06Å
108D96Very high96.5Very high60 Ų6063.4 Ų63.432%0.32133%0.329SS..  trans-85.7116169.7-163.5-27.5000110T110 E111 C114D108-T110 PolarHBondContact O-N 3.04Å; D108-T110 PolarHBondContact OD1-N 2.95Å; D108-T110 PolarHBondContact OD1-OG1 3.2Å; D108-E111 HydrophobicContact CB-CB 4.25Å; D108-E111 HydrophobicContact CB-CG 3.79Å; D108-E111 PolarHBondContact O-N 2.93Å; D108-E111 VanDerWaalsContact O-N 3.12Å; D108-C114 WeakPolarHBondContact O-CB 3.42Å
109L96.3Very high96.3Very high11 Ų1162.8 Ų62.86%0.05833%0.326CS..THydrogen-bonded Turntrans-66.3-18.9-177.9-55.5175.2000112.6L58 V90 I107 Q115 L118 A133 L151 S154 I158L58-L109 HydrophobicContact CB-CD1 3.82Å; L58-L109 HydrophobicContact CB-CD2 4.48Å; L58-L109 HydrophobicContact CD1-CD1 4.29Å; L58-L109 HydrophobicContact CD1-CD2 4.16Å; L58-L109 HydrophobicContact CD2-CD2 3.92Å; L58-L109 HydrophobicContact CG-CD2 4.43Å; V90-L109 HydrophobicContact CG1-CD2 4.31Å; I107-L109 HydrophobicContact CG2-CD2 4.17Å; L109-Q115 PolarHBondContact O-NE2 2.87Å; L109-L118 HydrophobicContact CD2-CD1 4.09Å; L109-A133 HydrophobicContact CD1-CB 4.37Å; L109-L151 HydrophobicContact CB-CD1 4.07Å; L109-L151 HydrophobicContact CD1-CD1 4.33Å; L109-S154 WeakPolarHBondContact O-CB 3.47Å; L109-I158 HydrophobicContact CD2-CD1 4.09Å
110T95.1Very high96.1Very high65 Ų6559 Ų5940%0.39932%0.32SS..THydrogen-bonded Turntrans-84.5-13.8176.465.70000113.3D108 L151D108-T110 PolarHBondContact O-N 3.04Å; D108-T110 PolarHBondContact OD1-N 2.95Å; D108-T110 PolarHBondContact OD1-OG1 3.2Å; T110-L151 HydrophobicContact CG2-CD1 4.07Å
111E96.2Very high95.7Very high96 Ų9662.2 Ų62.245%0.44934%0.339SS..SBendtrans-87.1122.3-178.2-69-59.1139.400111.4D108 T113 C114 Q115D108-E111 HydrophobicContact CB-CB 4.25Å; D108-E111 HydrophobicContact CB-CG 3.79Å; D108-E111 PolarHBondContact O-N 2.93Å; D108-E111 VanDerWaalsContact O-N 3.12Å; E111-T113 VanDerWaalsContact C-N 3.28Å; E111-T113 PolarHBondContact O-N 2.78Å; E111-C114 HydrophobicContact CB-CB 4.07Å; E111-C114 WeakPolarHBondContact O-CB 3.27Å; E111-C114 PolarHBondContact O-N 2.86Å; E111-C114 VanDerWaalsContact O-N 3.08Å; E111-Q115 PolarHBondContact O-N 2.86Å
112P95.6Very high95.5Very high92 Ų9261.8 Ų61.860%0.59733%0.334SS*.Hα-helixtrans-57.8-36.4-177-2835.6000114.4C114 Q115 E116P112-C114 VanDerWaalsContact C-N 3.33Å; P112-C114 PolarHBondContact O-N 2.9Å; P112-Q115 PolarHBondContact O-N 2.87Å; P112-E116 PolarHBondContact O-N 2.83Å
113T96.4Very high95.2Very high106 Ų10660.9 Ų60.965%0.6534%0.335SS*.Hα-helixtrans-66.3-36.4178.451.40000112.1E111 E116 Y117E111-T113 VanDerWaalsContact C-N 3.28Å; E111-T113 PolarHBondContact O-N 2.78Å; T113-E116 PolarHBondContact O-N 2.82Å; T113-Y117 PolarHBondContact O-N 3.06Å
114C95.6Very high95Very high23 Ų2362.2 Ų62.216%0.15534%0.341CS..Hα-helixtrans-68.4-42.5173.8-76.90000111.5I107 D108 E111 P112 E116 Y117 L118I107-C114 HydrophobicContact CG2-CB 4.02Å; D108-C114 WeakPolarHBondContact O-CB 3.42Å; E111-C114 HydrophobicContact CB-CB 4.07Å; E111-C114 WeakPolarHBondContact O-CB 3.27Å; E111-C114 PolarHBondContact O-N 2.86Å; E111-C114 VanDerWaalsContact O-N 3.08Å; P112-C114 VanDerWaalsContact C-N 3.33Å; P112-C114 PolarHBondContact O-N 2.9Å; C114-E116 VanDerWaalsContact C-N 3.29Å; C114-E116 PolarHBondContact O-N 2.79Å; C114-Y117 PolarHBondContact O-N 2.83Å; C114-L118 WeakPolarHBondContact O-CG 3.31Å; C114-L118 PolarHBondContact O-N 2.61Å; C114-L118 VanDerWaalsContact O-N 3.09Å
115Q96.1Very high94.9Very high22 Ų2263.7 Ų63.710%0.10335%0.35CS..Hα-helixtrans-59.5-43.1174-63.8-176.216.900111.1L109 E111 P112 L118 C119 I158L109-Q115 PolarHBondContact O-NE2 2.87Å; E111-Q115 PolarHBondContact O-N 2.86Å; P112-Q115 PolarHBondContact O-N 2.87Å; Q115-L118 PolarHBondContact O-N 2.84Å; Q115-C119 WeakPolarHBondContact O-CB 3.49Å; Q115-C119 PolarHBondContact O-N 3.46Å; Q115-C119 PolarHBondContact O-SG 3.17Å; Q115-I158 HydrophobicContact CB-CG1 4.28Å; Q115-I158 HydrophobicContact CG-CD1 4.09Å; Q115-I158 HydrophobicContact CG-CG1 3.99Å
116E96.8Very high95Very high94 Ų9460.3 Ų60.344%0.43933%0.334SS..Hα-helixtrans-63.2-46.4179.1-167.555.5-143.400112.1P112 T113 C114 L118 C119 A120 R161P112-E116 PolarHBondContact O-N 2.83Å; T113-E116 PolarHBondContact O-N 2.82Å; C114-E116 VanDerWaalsContact C-N 3.29Å; C114-E116 PolarHBondContact O-N 2.79Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 2.61Å; E116-C119 PolarHBondContact O-N 2.91Å; E116-A120 WeakPolarHBondContact O-CB 3.45Å; E116-A120 PolarHBondContact O-N 2.83Å; E116-R161 VanDerWaalsContact CD-NH2 3.28Å; E116-R161 IonicContact OE1-NH2 3.25Å; E116-R161 PolarHBondContact OE1-NH2 2.75Å; E116-R161 VanDerWaalsContact OE1-NH2 3.15Å; E116-R161 IonicContact OE2-CZ 3.8Å; E116-R161 VanDerWaalsContact OE2-CZ 3.24Å; E116-R161 IonicContact OE2-NH1 2.95Å; E116-R161 PolarHBondContact OE2-NH1 3.26Å; E116-R161 IonicContact OE2-NH2 2.71Å; E116-R161 PolarHBondContact OE2-NH2 2.73Å
117Y94.8Very high95.2Very high152 Ų15255.2 Ų55.260%0.59631%0.311SS*.Hα-helixtrans-55.5-45.5175.6174.8-100000112.3I104 I107 T113 C114I104-Y117 HydrophobicContact CG2-CE1 4.21Å; I107-Y117 HydrophobicContact CD1-CD1 3.89Å; I107-Y117 HydrophobicContact CD1-CE1 4.28Å; T113-Y117 PolarHBondContact O-N 3.06Å; C114-Y117 PolarHBondContact O-N 2.83Å
118L93.7Very high95.3Very high5 Ų554.4 Ų54.43%0.02631%0.307CS..Hα-helixtrans-65.9-43.5177.4-69178.8000112.3L58 V90 I104 I107 L109 C114 Q115 E116 L122 I158L58-L118 HydrophobicContact CD2-CD1 4.39Å; V90-L118 HydrophobicContact CG1-CD1 3.99Å; V90-L118 HydrophobicContact CG1-CD2 3.96Å; V90-L118 HydrophobicContact CG2-CD2 3.83Å; I104-L118 HydrophobicContact CD1-CD2 4.29Å; I107-L118 HydrophobicContact CG2-CD1 3.73Å; I107-L118 HydrophobicContact CG2-CD2 4.33Å; I107-L118 HydrophobicContact CG2-CG 4.06Å; L109-L118 HydrophobicContact CD2-CD1 4.09Å; C114-L118 WeakPolarHBondContact O-CG 3.31Å; C114-L118 PolarHBondContact O-N 2.61Å; C114-L118 VanDerWaalsContact O-N 3.09Å; Q115-L118 PolarHBondContact O-N 2.84Å; E116-L118 VanDerWaalsContact C-N 3.31Å; E116-L118 PolarHBondContact O-N 2.61Å; L118-L122 WeakPolarHBondContact O-CD1 3.27Å; L118-I158 HydrophobicContact CD1-CD1 4.31Å
119C94.8Very high95.5Very high0 Ų051.6 Ų51.60%029%0.292CS..Hα-helixtrans-77-29.7-171.6-65.90000113.1Q115 E116 S121 L122 V123 R161 V162Q115-C119 WeakPolarHBondContact O-CB 3.49Å; Q115-C119 PolarHBondContact O-N 3.46Å; Q115-C119 PolarHBondContact O-SG 3.17Å; E116-C119 PolarHBondContact O-N 2.91Å; C119-S121 PolarHBondContact O-N 3.1Å; C119-L122 PolarHBondContact O-N 3.48Å; C119-L122 VanDerWaalsContact O-N 3.09Å; C119-V123 WeakPolarHBondContact O-CG2 3.16Å; C119-R161 HydrophobicContact CB-CB 4.47Å; C119-V162 HydrophobicContact CB-CG1 4.27Å
120A94Very high95.6Very high71 Ų7151 Ų5159%0.58729%0.289SS*.THydrogen-bonded Turntrans-55.2-30.3-171.500000114.2E116E116-A120 WeakPolarHBondContact O-CB 3.45Å; E116-A120 PolarHBondContact O-N 2.83Å
121S89.5Confident95.8Very high96 Ų9648.1 Ų48.167%0.67127%0.271SS*.THydrogen-bonded Turntrans-109.10.3-178.463.90000114.9C119C119-S121 PolarHBondContact O-N 3.1Å
122L94Very high95.8Very high8 Ų844.6 Ų44.64%0.04226%0.256CS..THydrogen-bonded Turntrans-12112.7-171.1-63-179.9000113.7L56 I88 L118 C119 N124 D125 V126 V162L56-L122 HydrophobicContact CD1-CD1 4.39Å; L56-L122 HydrophobicContact CD2-CD1 4.38Å; I88-L122 HydrophobicContact CD1-CD1 3.92Å; I88-L122 HydrophobicContact CD1-CD2 3.59Å; I88-L122 HydrophobicContact CD1-CG 4.42Å; L118-L122 WeakPolarHBondContact O-CD1 3.27Å; C119-L122 PolarHBondContact O-N 3.48Å; C119-L122 VanDerWaalsContact O-N 3.09Å; L122-N124 PolarHBondContact O-N 3Å; L122-N124 VanDerWaalsContact O-N 3.15Å; L122-D125 PolarHBondContact O-N 3.1Å; L122-D125 VanDerWaalsContact O-N 3.13Å; L122-V126 HydrophobicContact CB-CG2 4.18Å; L122-V126 HydrophobicContact CD1-CG2 4.49Å; L122-V162 HydrophobicContact CB-CB 4.12Å; L122-V162 HydrophobicContact CB-CG1 3.82Å; L122-V162 VanDerWaalsContact O-CA 3.29Å; L122-V162 WeakPolarHBondContact O-CA 3.48Å; L122-V162 WeakPolarHBondContact O-CB 3.1Å
123V91.9Very high95.8Very high87 Ų8740.9 Ų40.953%0.52723%0.233SC..THydrogen-bonded Turntrans-55.6120.1-177.2-178.20000110.8C119 D125C119-V123 WeakPolarHBondContact O-CG2 3.16Å; V123-D125 PolarHBondContact O-N 2.67Å
124N93.6Very high95.7Very high69 Ų6937.6 Ų37.637%0.36922%0.216SC..THydrogen-bonded Turntrans5025.7-178.5-57.8-39.1000115.2L122 R161 V162 L163 K164L122-N124 PolarHBondContact O-N 3Å; L122-N124 VanDerWaalsContact O-N 3.15Å; N124-R161 PolarHBondContact N-O 2.54Å; N124-V162 CarbonylContact C-O 3.54Å; N124-V162 VanDerWaalsContact CA-O 3.29Å; N124-V162 WeakPolarHBondContact CA-O 3.48Å; N124-V162 PolarHBondContact N-O 2.95Å; N124-L163 PolarHBondContact OD1-O 2.68Å; N124-K164 WeakPolarHBondContact O-CG 3.48Å
125D95.2Very high95.7Very high63 Ų6337.7 Ų37.734%0.33722%0.216SC..  trans-111.63.5-175.9-167.937.8000113.2T54 R86 L122 V123 V162T54-D125 WeakPolarHBondContact CB-O 3.37Å; T54-D125 WeakPolarHBondContact CG2-O 3.34Å; R86-D125 IonicContact CZ-OD2 2.75Å; R86-D125 IonicContact NH2-OD2 2.73Å; R86-D125 PolarHBondContact NH2-OD2 3.39Å; L122-D125 PolarHBondContact O-N 3.1Å; L122-D125 VanDerWaalsContact O-N 3.13Å; V123-D125 PolarHBondContact O-N 2.67Å; D125-V162 PolarHBondContact N-O 3.45Å
126V98.7Very high95.4Very high0 Ų044 Ų440%024%0.243CC..BIsolated β-bridgetrans-106.5125.2-178-178.40000110.6T54 L56 L122 A128 V162 L163 K164T54-V126 HydrophobicContact CG2-CG2 4.29Å; L56-V126 HydrophobicContact CB-CG1 3.97Å; L122-V126 HydrophobicContact CB-CG2 4.18Å; L122-V126 HydrophobicContact CD1-CG2 4.49Å; V126-A128 WeakPolarHBondContact CG1-O 3.22Å; V126-V162 HydrophobicContact CB-CB 4.24Å; V126-V162 HydrophobicContact CB-CG2 3.99Å; V126-V162 WeakPolarHBondContact CB-O 3.37Å; V126-V162 HydrophobicContact CG1-CG2 4.44Å; V126-V162 HydrophobicContact CG2-CB 3.82Å; V126-V162 HydrophobicContact CG2-CG2 3.85Å; V126-V162 PolarHBondContact N-O 2.88Å; V126-L163 HydrophobicContact CB-CD2 4.27Å; V126-L163 HydrophobicContact CG1-CD2 3.96Å; V126-L163 CarbonylContact O-C 3.59Å; V126-L163 WeakPolarHBondContact O-CA 3.41Å; V126-L163 WeakPolarHBondContact O-CD2 3.32Å; V126-K164 PolarHBondContact O-N 3.4Å
127D98.8Very high95.1Very high23 Ų2343.3 Ų43.312%0.12325%0.254CS..SBendtrans-79.2-35.5176.3-62.3-78.3000111.4M53 T54 K164 G168 C169M53-D127 WeakPolarHBondContact CA-OD2 3.4Å; M53-D127 HydrophobicContact CB-CB 3.85Å; M53-D127 HydrophobicContact CE-CB 4.5Å; M53-D127 HydrophobicContact CG-CB 3.8Å; M53-D127 HydrophobicContact SD-CB 4.11Å; T54-D127 PolarHBondContact N-OD2 3.21Å; T54-D127 PolarHBondContact O-N 2.77Å; D127-K164 WeakPolarHBondContact OD1-CD 3.44Å; D127-K164 WeakPolarHBondContact OD1-CE 3.46Å; D127-K164 IonicContact OD1-NZ 2.78Å; D127-K164 PolarHBondContact OD1-NZ 3.32Å; D127-K164 IonicContact OD2-NZ 2.84Å; D127-K164 PolarHBondContact OD2-NZ 2.71Å; D127-G168 WeakPolarHBondContact O-CA 3.26Å; D127-C169 PolarHBondContact O-N 3.42Å
128A98.9Very high94.9Very high0 Ų039 Ų390%025%0.246CC..EExtended strand (participates in β ladder)trans-146.3139.817500000113.1F48 I49 T54 V55 L56 V126 C169F48-A128 HydrophobicContact CD2-CB 4.2Å; F48-A128 HydrophobicContact CE2-CB 4.23Å; I49-A128 HydrophobicContact CD1-CB 3.25Å; T54-A128 PolarHBondContact O-N 3.41Å; V55-A128 VanDerWaalsContact CA-O 3.3Å; V55-A128 WeakPolarHBondContact CA-O 3.4Å; V55-A128 HydrophobicContact CG1-CB 4.32Å; V55-A128 WeakPolarHBondContact CG1-O 3.25Å; V55-A128 HydrophobicContact CG2-CB 4.34Å; L56-A128 PolarHBondContact N-O 3.31Å; V126-A128 WeakPolarHBondContact CG1-O 3.22Å; A128-C169 CarbonylContact C-O 3.58Å; A128-C169 VanDerWaalsContact CA-O 3.26Å; A128-C169 WeakPolarHBondContact CA-O 3.29Å; A128-C169 HydrophobicContact CB-CB 4.22Å
129L98.8Very high94.6Very high0 Ų042.4 Ų42.40%028%0.282CS..EExtended strand (participates in β ladder)trans-114.5121.6169.7-172165.7000108.3L56 L58 I158 A159 V162 L163 C169 F170 L171L56-L129 HydrophobicContact CB-CG 4.25Å; L56-L129 HydrophobicContact CD2-CD1 3.87Å; L56-L129 HydrophobicContact CD2-CG 4.2Å; L56-L129 HydrophobicContact CG-CG 4.36Å; L56-L129 WeakPolarHBondContact O-CA 3.35Å; L58-L129 HydrophobicContact CD1-CD1 3.9Å; L58-L129 HydrophobicContact CD1-CD2 3.72Å; L58-L129 HydrophobicContact CD1-CG 4.11Å; L58-L129 HydrophobicContact CG-CD1 4.41Å; L58-L129 HydrophobicContact CG-CD2 3.93Å; L58-L129 HydrophobicContact CG-CG 4.2Å; L129-I158 HydrophobicContact CD1-CB 4.21Å; L129-I158 HydrophobicContact CD1-CG2 3.78Å; L129-A159 HydrophobicContact CB-CB 4.42Å; L129-A159 HydrophobicContact CD1-CB 3.81Å; L129-V162 HydrophobicContact CD1-CG2 4.12Å; L129-L163 HydrophobicContact CB-CD2 4.1Å; L129-C169 PolarHBondContact N-O 3.32Å; L129-F170 HydrophobicContact CB-CD2 4.36Å; L129-F170 HydrophobicContact CD2-CD2 3.84Å; L129-F170 HydrophobicContact CD2-CE2 3.74Å; L129-F170 CarbonylContact O-C 3.26Å; L129-F170 WeakPolarHBondContact O-CA 3.42Å; L129-L171 PolarHBondContact O-N 2.77Å
130V98.9Very high94.5Very high0 Ų044.6 Ų44.60%030%0.297CS..EExtended strand (participates in β ladder)trans-120.4144.7-179.4-55.40000110.2F48 V55 L56 D57 L58 W65 L69 L171F48-V130 HydrophobicContact CE2-CG1 3.66Å; F48-V130 HydrophobicContact CZ-CG1 3.86Å; V55-V130 HydrophobicContact CG1-CG1 4.46Å; V55-V130 HydrophobicContact CG1-CG2 4.27Å; L56-V130 PolarHBondContact O-N 3.36Å; D57-V130 HydrophobicContact CB-CG2 4.25Å; L58-V130 PolarHBondContact N-O 2.8Å; W65-V130 HydrophobicContact CE3-CB 4.1Å; W65-V130 HydrophobicContact CE3-CG2 3.84Å; W65-V130 HydrophobicContact CZ3-CB 3.82Å; W65-V130 HydrophobicContact CZ3-CG2 4.11Å; L69-V130 HydrophobicContact CD1-CG2 3.84Å; V130-L171 CarbonylContact C-O 3.6Å; V130-L171 WeakPolarHBondContact CA-O 3.38Å; V130-L171 HydrophobicContact CB-CB 4.29Å; V130-L171 HydrophobicContact CB-CD2 4.44Å; V130-L171 HydrophobicContact CG1-CB 4.05Å; V130-L171 HydrophobicContact CG1-CD2 4.32Å
131S98.6Very high94.3Very high3 Ų345.2 Ų45.22%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-145.3119.4178.6-169.90000113.5L58 A133 L171 K173L58-S131 WeakPolarHBondContact O-CA 3.37Å; L58-S131 WeakPolarHBondContact O-CB 3.46Å; L58-S131 PolarHBondContact O-OG 2.99Å; S131-A133 VanDerWaalsContact OG-CB 3.29Å; S131-A133 WeakPolarHBondContact OG-CB 3.37Å; S131-A133 PolarHBondContact OG-N 3.05Å; S131-L171 PolarHBondContact N-O 2.8Å; S131-K173 PolarHBondContact O-N 3.22Å
132D97.1Very high94.5Very high23 Ų2345.9 Ų45.912%0.12330%0.295CS..  trans-99.815.7164.4-163.123.5000111.9S35 K38 W65 K173 Y210S35-D132 WeakPolarHBondContact CB-OD2 3.17Å; S35-D132 PolarHBondContact OG-OD2 3.43Å; K38-D132 IonicContact NZ-OD1 2.83Å; K38-D132 IonicContact NZ-OD2 3.59Å; W65-D132 HydrophobicContact CD2-CB 3.93Å; W65-D132 HydrophobicContact CE3-CB 4.07Å; W65-D132 HydrophobicContact CH2-CB 3.95Å; W65-D132 HydrophobicContact CZ2-CB 3.78Å; W65-D132 HydrophobicContact CZ3-CB 4.06Å; D132-K173 WeakPolarHBondContact OD1-CD 3.26Å; D132-K173 IonicContact OD1-NZ 2.67Å; D132-K173 PolarHBondContact OD1-NZ 3.3Å; D132-Y210 VanDerWaalsContact CG-OH 3.28Å; D132-Y210 PolarHBondContact OD1-OH 3.41Å
133A96.1Very high94.5Very high14 Ų1449.6 Ų49.612%0.11631%0.314CS..  trans-60.2141179.800000111L109 S131 L151 K173L109-A133 HydrophobicContact CD1-CB 4.37Å; S131-A133 VanDerWaalsContact OG-CB 3.29Å; S131-A133 WeakPolarHBondContact OG-CB 3.37Å; S131-A133 PolarHBondContact OG-N 3.05Å; A133-L151 HydrophobicContact CB-CD2 3.77Å; A133-L151 HydrophobicContact CB-CG 4.31Å; A133-K173 WeakPolarHBondContact O-CD 3.2Å
134A94.5Very high94.6Very high37 Ų3746.1 Ų46.131%0.30629%0.293SS..  trans-143.2144.8174.400000110.1I148 K173 W175A134-I148 HydrophobicContact CB-CD1 4.36Å; A134-K173 HydrophobicContact CB-CD 4.04Å; A134-W175 HydrophobicContact CB-CH2 4.33Å; A134-W175 HydrophobicContact CB-CZ2 3.96Å
135P94.1Very high94.7Very high24 Ų2443.2 Ų43.216%0.15628%0.277CS..PPolyproline II helixtrans-66160170.831.8-37.4000110.9A137 R147 I148 W175P135-A137 PolarHBondContact O-N 3.13Å; P135-R147 HydrophobicContact CB-CB 3.69Å; P135-R147 HydrophobicContact CG-CB 3.69Å; P135-I148 HydrophobicContact CG-CB 3.95Å; P135-W175 HydrophobicContact CG-CH2 4Å; P135-W175 HydrophobicContact CG-CZ3 3.83Å
136K91.5Very high94.8Very high155 Ų15542.1 Ų42.167%0.67427%0.27SS*.PPolyproline II helixtrans-66126.6168.8-69180180174.10108.3S138K136-S138 PolarHBondContact O-N 3.47Å
137A88.5Confident94.7Very high79 Ų7947.9 Ų47.965%0.65329%0.292SS*.PPolyproline II helixtrans-64129.4177.700000110P135P135-A137 PolarHBondContact O-N 3.13Å
138S91.4Very high94.6Very high61 Ų6146.8 Ų46.843%0.42729%0.286SS..  trans-94.7-14.7177.963.40000112.9K136 S140 D144K136-S138 PolarHBondContact O-N 3.47Å; S138-S140 VanDerWaalsContact C-N 3.29Å; S138-S140 PolarHBondContact OG-N 2.93Å; S138-D144 WeakPolarHBondContact CB-OD1 3.37Å; S138-D144 VanDerWaalsContact N-CG 3.33Å; S138-D144 PolarHBondContact N-OD1 2.94Å; S138-D144 PolarHBondContact N-OD2 3.15Å; S138-D144 PolarHBondContact OG-OD1 3.32Å
139G88.4Confident94.6Very high77 Ų7746.8 Ų46.879%0.79429%0.286SS*.SBendtrans90.1-10.1-172.400000113.2D144G139-D144 PolarHBondContact N-OD2 2.9Å
140S92.1Very high94.5Very high46 Ų4650.3 Ų50.332%0.32231%0.305SS..  trans-94.7107.2169.9174.50000109.8S138 H142 L143 D144S138-S140 VanDerWaalsContact C-N 3.29Å; S138-S140 PolarHBondContact OG-N 2.93Å; S140-H142 PolarHBondContact O-N 3.41Å; S140-L143 PolarHBondContact O-N 2.71Å; S140-L143 VanDerWaalsContact O-N 3.14Å; S140-L143 PolarHBondContact OG-N 3.15Å; S140-D144 VanDerWaalsContact O-CB 3.3Å; S140-D144 WeakPolarHBondContact O-CB 3.46Å; S140-D144 VanDerWaalsContact O-CG 3.25Å; S140-D144 PolarHBondContact O-N 2.86Å
141A90Very high94.5Very high85 Ų8551.2 Ų51.270%0.70231%0.31SS*.Hα-helixtrans-54.9-37.5-179.700000112.6H145A141-H145 VanDerWaalsContact O-CB 3.28Å; A141-H145 WeakPolarHBondContact O-CB 3.34Å; A141-H145 PolarHBondContact O-N 3.48Å
142H93Very high94.5Very high110 Ų11051.3 Ų51.351%0.50931%0.31SS..Hα-helixtrans-65.2-49.6177.3-178.9-78.5000112.1S140 H145 E146 Y178S140-H142 PolarHBondContact O-N 3.41Å; H142-H145 PolarHBondContact O-N 3.2Å; H142-E146 PolarHBondContact O-N 3.28Å; H142-E146 VanDerWaalsContact O-N 3.09Å; H142-Y178 AromaticContact CD2-CE1 3.84Å; H142-Y178 AromaticContact CD2-CZ 3.96Å; H142-Y178 PolarHBondContact CE1-OH 3.24Å; H142-Y178 AromaticContact NE2-CZ 3.69Å; H142-Y178 PolarHBondContact NE2-OH 2.82Å
143L94.2Very high94.5Very high85 Ų8552.5 Ų52.545%0.44532%0.316SS..Hα-helixtrans-68.5-37.3-180-66.1176.5000112S140 H145 E146 R147S140-L143 PolarHBondContact O-N 2.71Å; S140-L143 VanDerWaalsContact O-N 3.14Å; S140-L143 PolarHBondContact OG-N 3.15Å; L143-H145 VanDerWaalsContact C-N 3.33Å; L143-E146 PolarHBondContact O-N 2.84Å; L143-R147 WeakPolarHBondContact O-CB 3.47Å; L143-R147 VanDerWaalsContact O-CG 3.26Å; L143-R147 WeakPolarHBondContact O-CG 3.45Å; L143-R147 PolarHBondContact O-N 3.39Å
144D94.8Very high94.6Very high14 Ų1452.9 Ų52.98%0.07532%0.318CS..Hα-helixtrans-66.5-37.5178.2-72.4-12.5000110.9S138 G139 S140 I148 W175S138-D144 WeakPolarHBondContact CB-OD1 3.37Å; S138-D144 VanDerWaalsContact N-CG 3.33Å; S138-D144 PolarHBondContact N-OD1 2.94Å; S138-D144 PolarHBondContact N-OD2 3.15Å; S138-D144 PolarHBondContact OG-OD1 3.32Å; G139-D144 PolarHBondContact N-OD2 2.9Å; S140-D144 VanDerWaalsContact O-CB 3.3Å; S140-D144 WeakPolarHBondContact O-CB 3.46Å; S140-D144 VanDerWaalsContact O-CG 3.25Å; S140-D144 PolarHBondContact O-N 2.86Å; D144-I148 PolarHBondContact O-N 3.36Å; D144-I148 VanDerWaalsContact O-N 3.07Å; D144-W175 HydrophobicContact CB-CE3 4.25Å; D144-W175 HydrophobicContact CB-CZ3 3.82Å
145H95.7Very high94.8Very high8 Ų851.1 Ų51.14%0.03730%0.304CS..Hα-helixtrans-63-48.1171.8-174.468000112.4A141 H142 L143 R147 I148 V149 W175 G177 Y178 R179A141-H145 VanDerWaalsContact O-CB 3.28Å; A141-H145 WeakPolarHBondContact O-CB 3.34Å; A141-H145 PolarHBondContact O-N 3.48Å; H142-H145 PolarHBondContact O-N 3.2Å; L143-H145 VanDerWaalsContact C-N 3.33Å; H145-R147 VanDerWaalsContact C-N 3.3Å; H145-R147 PolarHBondContact O-N 3.36Å; H145-I148 WeakPolarHBondContact O-CG2 3.21Å; H145-I148 PolarHBondContact O-N 2.98Å; H145-V149 WeakPolarHBondContact O-CG2 3.39Å; H145-V149 PolarHBondContact O-N 3.45Å; H145-W175 PolarHBondContact CE1-O 3.11Å; H145-W175 PolarHBondContact ND1-O 3.42Å; H145-G177 VanDerWaalsContact CE1-C 3.43Å; H145-G177 WeakPolarHBondContact CE1-CA 3.05Å; H145-G177 WeakPolarHBondContact ND1-CA 3.45Å; H145-Y178 HydrophobicContact CB-CE1 4.32Å; H145-Y178 AromaticContact CD2-CD1 3.48Å; H145-Y178 VanDerWaalsContact CD2-CD1 3.48Å; H145-Y178 WeakPolarHBondContact CD2-CD1 3.41Å; H145-Y178 AromaticContact CD2-CE1 3.39Å; H145-Y178 WeakPolarHBondContact CD2-CE1 3.25Å; H145-R179 PolarHBondContact NE2-N 3.33Å
146E96.8Very high95Very high41 Ų4150.2 Ų50.219%0.19230%0.297CS..Hα-helixtrans-57-45.8176.8-76-51.99700112.1H142 L143 V149 N150 Y178 R179H142-E146 PolarHBondContact O-N 3.28Å; H142-E146 VanDerWaalsContact O-N 3.09Å; L143-E146 PolarHBondContact O-N 2.84Å; E146-V149 PolarHBondContact O-N 2.92Å; E146-N150 WeakPolarHBondContact O-CB 3.44Å; E146-N150 PolarHBondContact O-N 3.44Å; E146-N150 PolarHBondContact O-ND2 2.86Å; E146-Y178 VanDerWaalsContact CG-OH 3.29Å; E146-Y178 WeakPolarHBondContact CG-OH 3.12Å; E146-Y178 PolarHBondContact OE1-OH 3.04Å; E146-R179 WeakPolarHBondContact OE1-CD 3.14Å; E146-R179 IonicContact OE1-NE 2.71Å; E146-R179 IonicContact OE1-NH1 3.55Å; E146-R179 IonicContact OE2-CZ 2.82Å; E146-R179 IonicContact OE2-NE 3.15Å; E146-R179 IonicContact OE2-NH1 3.24Å; E146-R179 PolarHBondContact OE2-NH1 2.88Å
147R97.1Very high95.3Very high120 Ų12045.2 Ų45.245%0.45328%0.282SS..Hα-helixtrans-65.9-41.1-177.9-73.8170.2173176.4-1.2112.4P135 L143 H145 L151P135-R147 HydrophobicContact CB-CB 3.69Å; P135-R147 HydrophobicContact CG-CB 3.69Å; L143-R147 WeakPolarHBondContact O-CB 3.47Å; L143-R147 VanDerWaalsContact O-CG 3.26Å; L143-R147 WeakPolarHBondContact O-CG 3.45Å; L143-R147 PolarHBondContact O-N 3.39Å; H145-R147 VanDerWaalsContact C-N 3.3Å; H145-R147 PolarHBondContact O-N 3.36Å; R147-L151 WeakPolarHBondContact O-CB 3.46Å; R147-L151 PolarHBondContact O-N 3.42Å
148I97.1Very high95.7Very high0 Ų041.5 Ų41.50%025%0.251CS..Hα-helixtrans-71.2-38.9-179.4-164.5164.8000110.9A134 P135 D144 H145 L151 S152 K173 I174 W175A134-I148 HydrophobicContact CB-CD1 4.36Å; P135-I148 HydrophobicContact CG-CB 3.95Å; D144-I148 PolarHBondContact O-N 3.36Å; D144-I148 VanDerWaalsContact O-N 3.07Å; H145-I148 WeakPolarHBondContact O-CG2 3.21Å; H145-I148 PolarHBondContact O-N 2.98Å; I148-L151 PolarHBondContact O-N 3.35Å; I148-S152 PolarHBondContact O-N 3.09Å; I148-S152 PolarHBondContact O-OG 2.84Å; I148-K173 HydrophobicContact CD1-CD 4.12Å; I148-K173 HydrophobicContact CD1-CG 4.24Å; I148-I174 HydrophobicContact CG2-CG1 4.41Å; I148-W175 HydrophobicContact CB-CD2 4.45Å; I148-W175 HydrophobicContact CB-CE3 3.96Å; I148-W175 HydrophobicContact CB-CZ3 4.24Å; I148-W175 HydrophobicContact CD1-CD2 3.53Å; I148-W175 HydrophobicContact CD1-CE3 3.89Å; I148-W175 HydrophobicContact CD1-CG 3.81Å; I148-W175 HydrophobicContact CD1-CH2 4.46Å; I148-W175 HydrophobicContact CD1-CZ2 4.16Å; I148-W175 HydrophobicContact CD1-CZ3 4.32Å; I148-W175 HydrophobicContact CG2-CB 4.24Å; I148-W175 HydrophobicContact CG2-CD2 4.2Å; I148-W175 HydrophobicContact CG2-CE3 3.76Å; I148-W175 HydrophobicContact CG2-CG 4.42Å; I148-W175 HydrophobicContact CG2-CZ3 4.47Å
149V97.9Very high96.1Very high0 Ų038.6 Ų38.60%023%0.231CC..Hα-helixtrans-62.1-46.7175.1172.20000111H145 E146 L151 S152 L153 I174 R179H145-V149 WeakPolarHBondContact O-CG2 3.39Å; H145-V149 PolarHBondContact O-N 3.45Å; E146-V149 PolarHBondContact O-N 2.92Å; V149-L151 VanDerWaalsContact C-N 3.31Å; V149-L151 PolarHBondContact O-N 3.44Å; V149-S152 PolarHBondContact O-N 3.34Å; V149-L153 HydrophobicContact CG1-CD1 4.14Å; V149-L153 WeakPolarHBondContact O-CG 3.14Å; V149-L153 PolarHBondContact O-N 2.91Å; V149-I174 HydrophobicContact CG2-CD1 3.65Å; V149-I174 HydrophobicContact CG2-CG1 4.39Å; V149-R179 HydrophobicContact CG1-CB 4.17Å; V149-R179 HydrophobicContact CG2-CB 4.1Å
150N97.6Very high96.5Very high74 Ų7437.1 Ų37.140%0.39620%0.204SC..Hα-helixtrans-63.4-38.2178.1-68.1-14.6000111.7E146 L153 S154 R179E146-N150 WeakPolarHBondContact O-CB 3.44Å; E146-N150 PolarHBondContact O-N 3.44Å; E146-N150 PolarHBondContact O-ND2 2.86Å; N150-L153 PolarHBondContact O-N 3.33Å; N150-S154 PolarHBondContact O-N 2.99Å; N150-S154 PolarHBondContact O-OG 3.25Å; N150-R179 PolarHBondContact OD1-NH1 3.45Å
151L97.9Very high96.7Very high20 Ų2038.8 Ų38.811%0.10520%0.204CC..Hα-helixtrans-63.2-43.7173.3-17960000111.8L109 T110 A133 R147 I148 V149 L153 S154 C155L109-L151 HydrophobicContact CB-CD1 4.07Å; L109-L151 HydrophobicContact CD1-CD1 4.33Å; T110-L151 HydrophobicContact CG2-CD1 4.07Å; A133-L151 HydrophobicContact CB-CD2 3.77Å; A133-L151 HydrophobicContact CB-CG 4.31Å; R147-L151 WeakPolarHBondContact O-CB 3.46Å; R147-L151 PolarHBondContact O-N 3.42Å; I148-L151 PolarHBondContact O-N 3.35Å; V149-L151 VanDerWaalsContact C-N 3.31Å; V149-L151 PolarHBondContact O-N 3.44Å; L151-L153 VanDerWaalsContact C-N 3.31Å; L151-L153 PolarHBondContact O-N 2.79Å; L151-S154 WeakPolarHBondContact O-CB 3.27Å; L151-S154 PolarHBondContact O-N 3.43Å; L151-C155 PolarHBondContact O-N 2.87Å; L151-C155 PolarHBondContact O-SG 2.96Å; L151-C155 VanDerWaalsContact O-SG 3.39Å
152S98.5Very high97.1Very high4 Ų434.7 Ų34.73%0.02817%0.17CC..Hα-helixtrans-63.1-37.3175.6-52.40000112I148 V149 C155 L156 K173I148-S152 PolarHBondContact O-N 3.09Å; I148-S152 PolarHBondContact O-OG 2.84Å; V149-S152 PolarHBondContact O-N 3.34Å; S152-C155 PolarHBondContact O-N 3.04Å; S152-L156 WeakPolarHBondContact O-CB 3.36Å; S152-L156 PolarHBondContact O-N 2.9Å; S152-K173 PolarHBondContact OG-O 3.48Å
153L97.9Very high97.4Very high48 Ų4829.5 Ų29.525%0.25115%0.146SC..Hα-helixtrans-65.7-38.6173.7-73.3170.4000111.8V149 N150 L151 L156 S157 L183 E186V149-L153 HydrophobicContact CG1-CD1 4.14Å; V149-L153 WeakPolarHBondContact O-CG 3.14Å; V149-L153 PolarHBondContact O-N 2.91Å; N150-L153 PolarHBondContact O-N 3.33Å; L151-L153 VanDerWaalsContact C-N 3.31Å; L151-L153 PolarHBondContact O-N 2.79Å; L153-L156 HydrophobicContact CD2-CD2 4.5Å; L153-L156 WeakPolarHBondContact O-CB 3.13Å; L153-L156 PolarHBondContact O-N 3.47Å; L153-S157 PolarHBondContact O-N 2.82Å; L153-L183 HydrophobicContact CD2-CD1 3.62Å; L153-L183 HydrophobicContact CG-CD1 4Å; L153-E186 HydrophobicContact CD2-CG 4.26Å
154S98.2Very high97.6Very high22 Ų2228.1 Ų28.115%0.15414%0.136CC..Hα-helixtrans-63.2-43.6171.9-64.20000112L109 N150 L151 L156 S157 I158L109-S154 WeakPolarHBondContact O-CB 3.47Å; N150-S154 PolarHBondContact O-N 2.99Å; N150-S154 PolarHBondContact O-OG 3.25Å; L151-S154 WeakPolarHBondContact O-CB 3.27Å; L151-S154 PolarHBondContact O-N 3.43Å; S154-L156 VanDerWaalsContact C-N 3.29Å; S154-L156 PolarHBondContact O-N 2.96Å; S154-S157 WeakPolarHBondContact O-CB 3.26Å; S154-S157 PolarHBondContact O-N 3.01Å; S154-I158 WeakPolarHBondContact O-CG1 3.21Å; S154-I158 PolarHBondContact O-N 2.82Å; S154-I158 VanDerWaalsContact O-N 3.11Å
155C98.6Very high97.7Very high1 Ų130.1 Ų30.11%0.00715%0.15CC..Hα-helixtrans-61-39.7173.3-66.80000111.7L58 L151 S152 I158 A159 F170L58-C155 HydrophobicContact CD1-CB 4.14Å; L151-C155 PolarHBondContact O-N 2.87Å; L151-C155 PolarHBondContact O-SG 2.96Å; L151-C155 VanDerWaalsContact O-SG 3.39Å; S152-C155 PolarHBondContact O-N 3.04Å; C155-I158 PolarHBondContact O-N 3.45Å; C155-A159 WeakPolarHBondContact O-CB 3.39Å; C155-A159 PolarHBondContact O-N 3.11Å; C155-F170 HydrophobicContact CB-CE2 4Å; C155-F170 HydrophobicContact CB-CZ 4.1Å
156L98.3Very high97.7Very high4 Ų432 Ų322%0.02117%0.172CC..Hα-helixtrans-64-45.8175.7-179.360.3000110.9S152 L153 S154 I158 A159 L160 F170 E186 I187 F191S152-L156 WeakPolarHBondContact O-CB 3.36Å; S152-L156 PolarHBondContact O-N 2.9Å; L153-L156 HydrophobicContact CD2-CD2 4.5Å; L153-L156 WeakPolarHBondContact O-CB 3.13Å; L153-L156 PolarHBondContact O-N 3.47Å; S154-L156 VanDerWaalsContact C-N 3.29Å; S154-L156 PolarHBondContact O-N 2.96Å; L156-I158 VanDerWaalsContact C-N 3.28Å; L156-I158 PolarHBondContact O-N 3.09Å; L156-A159 WeakPolarHBondContact O-CA 2.98Å; L156-A159 VanDerWaalsContact O-CB 3.25Å; L156-A159 WeakPolarHBondContact O-CB 3.41Å; L156-A159 PolarHBondContact O-N 3.45Å; L156-L160 HydrophobicContact CD1-CD2 4.08Å; L156-L160 HydrophobicContact CD1-CG 4.25Å; L156-L160 HydrophobicContact CG-CD1 4.45Å; L156-L160 HydrophobicContact CG-CG 4.36Å; L156-L160 WeakPolarHBondContact O-CG 3.36Å; L156-L160 PolarHBondContact O-N 2.97Å; L156-F170 HydrophobicContact CB-CE1 4.15Å; L156-F170 HydrophobicContact CB-CZ 3.89Å; L156-F170 HydrophobicContact CD1-CD1 4.04Å; L156-F170 HydrophobicContact CD1-CE1 3.96Å; L156-F170 HydrophobicContact CD1-CG 4.46Å; L156-F170 HydrophobicContact CD1-CZ 4.33Å; L156-E186 HydrophobicContact CD2-CB 4.39Å; L156-E186 HydrophobicContact CD2-CG 3.68Å; L156-I187 HydrophobicContact CD1-CG1 4.37Å; L156-I187 HydrophobicContact CD2-CG1 3.96Å; L156-F191 HydrophobicContact CD1-CE2 3.89Å
157S97.3Very high97.7Very high51 Ų5134.2 Ų34.236%0.35719%0.188SC..Hα-helixtrans-52.7-45.4175.2178.60000112.1L153 S154 R161L153-S157 PolarHBondContact O-N 2.82Å; S154-S157 WeakPolarHBondContact O-CB 3.26Å; S154-S157 PolarHBondContact O-N 3.01Å; S157-R161 WeakPolarHBondContact O-CG 3.41Å
158I98Very high97.7Very high0 Ų028.5 Ų28.50%017%0.167CC..Hα-helixtrans-62.1-48.2173.4-62.6164.4000110.1L56 L58 L109 Q115 L118 L129 S154 C155 L156 L160 R161 V162L56-I158 HydrophobicContact CD2-CG2 4.1Å; L58-I158 HydrophobicContact CD1-CD1 3.77Å; L58-I158 HydrophobicContact CD1-CG2 4.43Å; L109-I158 HydrophobicContact CD2-CD1 4.09Å; Q115-I158 HydrophobicContact CB-CG1 4.28Å; Q115-I158 HydrophobicContact CG-CD1 4.09Å; Q115-I158 HydrophobicContact CG-CG1 3.99Å; L118-I158 HydrophobicContact CD1-CD1 4.31Å; L129-I158 HydrophobicContact CD1-CB 4.21Å; L129-I158 HydrophobicContact CD1-CG2 3.78Å; S154-I158 WeakPolarHBondContact O-CG1 3.21Å; S154-I158 PolarHBondContact O-N 2.82Å; S154-I158 VanDerWaalsContact O-N 3.11Å; C155-I158 PolarHBondContact O-N 3.45Å; L156-I158 VanDerWaalsContact C-N 3.28Å; L156-I158 PolarHBondContact O-N 3.09Å; I158-L160 VanDerWaalsContact C-N 3.3Å; I158-L160 PolarHBondContact O-N 2.73Å; I158-R161 PolarHBondContact O-N 2.72Å; I158-V162 HydrophobicContact CG2-CG1 4.28Å; I158-V162 HydrophobicContact CG2-CG2 4.27Å; I158-V162 WeakPolarHBondContact O-CG2 3.39Å; I158-V162 PolarHBondContact O-N 2.83Å; I158-V162 VanDerWaalsContact O-N 3.13Å
159A98.5Very high97.8Very high0 Ų029 Ų290%017%0.171CC..Hα-helixtrans-54.5-45-178.800000112.3L129 C155 L156 R161 V162 L163 F170L129-A159 HydrophobicContact CB-CB 4.42Å; L129-A159 HydrophobicContact CD1-CB 3.81Å; C155-A159 WeakPolarHBondContact O-CB 3.39Å; C155-A159 PolarHBondContact O-N 3.11Å; L156-A159 WeakPolarHBondContact O-CA 2.98Å; L156-A159 VanDerWaalsContact O-CB 3.25Å; L156-A159 WeakPolarHBondContact O-CB 3.41Å; L156-A159 PolarHBondContact O-N 3.45Å; A159-R161 PolarHBondContact O-N 2.78Å; A159-R161 VanDerWaalsContact O-N 3.14Å; A159-V162 PolarHBondContact O-N 3.37Å; A159-L163 HydrophobicContact CB-CD1 3.79Å; A159-L163 HydrophobicContact CB-CG 4.19Å; A159-L163 WeakPolarHBondContact O-CB 3.31Å; A159-L163 WeakPolarHBondContact O-CG 3.36Å; A159-L163 PolarHBondContact O-N 3.29Å; A159-F170 HydrophobicContact CB-CD2 3.51Å; A159-F170 HydrophobicContact CB-CE2 3.92Å; A159-F170 HydrophobicContact CB-CG 4.21Å
160L97.1Very high97.9Very high46 Ų4629 Ų2924%0.24117%0.171CC..Hα-helixtrans-62.9-20.9-179.4-60.5-179.4000113.3L156 I158 H190 F216L156-L160 HydrophobicContact CD1-CD2 4.08Å; L156-L160 HydrophobicContact CD1-CG 4.25Å; L156-L160 HydrophobicContact CG-CD1 4.45Å; L156-L160 HydrophobicContact CG-CG 4.36Å; L156-L160 WeakPolarHBondContact O-CG 3.36Å; L156-L160 PolarHBondContact O-N 2.97Å; I158-L160 VanDerWaalsContact C-N 3.3Å; I158-L160 PolarHBondContact O-N 2.73Å; L160-H190 HydrophobicContact CD2-CB 3.51Å; L160-H190 VanDerWaalsContact CD2-CG 3.4Å; L160-F216 HydrophobicContact CB-CZ 4.37Å; L160-F216 HydrophobicContact CD2-CD2 4.18Å; L160-F216 HydrophobicContact CD2-CE2 3.44Å; L160-F216 VanDerWaalsContact CD2-CE2 3.44Å; L160-F216 HydrophobicContact CD2-CZ 4.1Å; L160-F216 WeakPolarHBondContact O-CZ 3.37Å
161R96.8Very high97.9Very high81 Ų8125.5 Ų25.531%0.30615%0.152SC..Hα-helixtrans-93.7-32.3179.4-6317462.5178.51.5113E116 C119 N124 S157 I158 A159E116-R161 VanDerWaalsContact CD-NH2 3.28Å; E116-R161 IonicContact OE1-NH2 3.25Å; E116-R161 PolarHBondContact OE1-NH2 2.75Å; E116-R161 VanDerWaalsContact OE1-NH2 3.15Å; E116-R161 IonicContact OE2-CZ 3.8Å; E116-R161 VanDerWaalsContact OE2-CZ 3.24Å; E116-R161 IonicContact OE2-NH1 2.95Å; E116-R161 PolarHBondContact OE2-NH1 3.26Å; E116-R161 IonicContact OE2-NH2 2.71Å; E116-R161 PolarHBondContact OE2-NH2 2.73Å; C119-R161 HydrophobicContact CB-CB 4.47Å; N124-R161 PolarHBondContact N-O 2.54Å; S157-R161 WeakPolarHBondContact O-CG 3.41Å; I158-R161 PolarHBondContact O-N 2.72Å; A159-R161 PolarHBondContact O-N 2.78Å; A159-R161 VanDerWaalsContact O-N 3.14Å
162V97.9Very high98Very high0 Ų024.6 Ų24.60%015%0.147CC..Hα-helixtrans-105.3-23.1-169.9-54.50000113.8L56 C119 L122 N124 D125 V126 L129 I158 A159L56-V162 HydrophobicContact CD2-CG2 4.26Å; C119-V162 HydrophobicContact CB-CG1 4.27Å; L122-V162 HydrophobicContact CB-CB 4.12Å; L122-V162 HydrophobicContact CB-CG1 3.82Å; L122-V162 VanDerWaalsContact O-CA 3.29Å; L122-V162 WeakPolarHBondContact O-CA 3.48Å; L122-V162 WeakPolarHBondContact O-CB 3.1Å; N124-V162 CarbonylContact C-O 3.54Å; N124-V162 VanDerWaalsContact CA-O 3.29Å; N124-V162 WeakPolarHBondContact CA-O 3.48Å; N124-V162 PolarHBondContact N-O 2.95Å; D125-V162 PolarHBondContact N-O 3.45Å; V126-V162 HydrophobicContact CB-CB 4.24Å; V126-V162 HydrophobicContact CB-CG2 3.99Å; V126-V162 WeakPolarHBondContact CB-O 3.37Å; V126-V162 HydrophobicContact CG1-CG2 4.44Å; V126-V162 HydrophobicContact CG2-CB 3.82Å; V126-V162 HydrophobicContact CG2-CG2 3.85Å; V126-V162 PolarHBondContact N-O 2.88Å; L129-V162 HydrophobicContact CD1-CG2 4.12Å; I158-V162 HydrophobicContact CG2-CG1 4.28Å; I158-V162 HydrophobicContact CG2-CG2 4.27Å; I158-V162 WeakPolarHBondContact O-CG2 3.39Å; I158-V162 PolarHBondContact O-N 2.83Å; I158-V162 VanDerWaalsContact O-N 3.13Å; A159-V162 PolarHBondContact O-N 3.37Å
163L98.6Very high97.9Very high0 Ų025.3 Ų25.30%015%0.149CC..BIsolated β-bridgetrans-72.3138.7-175.6-73.7179.4000112.4N124 V126 L129 A159 P165 C169 F170 F191 F216N124-L163 PolarHBondContact OD1-O 2.68Å; V126-L163 HydrophobicContact CB-CD2 4.27Å; V126-L163 HydrophobicContact CG1-CD2 3.96Å; V126-L163 CarbonylContact O-C 3.59Å; V126-L163 WeakPolarHBondContact O-CA 3.41Å; V126-L163 WeakPolarHBondContact O-CD2 3.32Å; L129-L163 HydrophobicContact CB-CD2 4.1Å; A159-L163 HydrophobicContact CB-CD1 3.79Å; A159-L163 HydrophobicContact CB-CG 4.19Å; A159-L163 WeakPolarHBondContact O-CB 3.31Å; A159-L163 WeakPolarHBondContact O-CG 3.36Å; A159-L163 PolarHBondContact O-N 3.29Å; L163-P165 WeakPolarHBondContact O-CD 3.42Å; L163-C169 WeakPolarHBondContact CD2-O 3.38Å; L163-F170 HydrophobicContact CD1-CB 4.16Å; L163-F191 HydrophobicContact CD1-CE1 3.79Å; L163-F191 HydrophobicContact CD1-CZ 3.64Å; L163-F216 HydrophobicContact CB-CB 4.34Å; L163-F216 HydrophobicContact CB-CD1 3.76Å; L163-F216 HydrophobicContact CB-CE1 4.36Å; L163-F216 HydrophobicContact CB-CG 4.16Å; L163-F216 HydrophobicContact CD1-CB 4.5Å; L163-F216 WeakPolarHBondContact O-CD1 3.3Å
164K98.1Very high97.9Very high56 Ų5623 Ų2324%0.24314%0.137CC..PPolyproline II helixtrans-60124.8171.4-75.2171.6-171.8173.30110.8N124 V126 D127 G168N124-K164 WeakPolarHBondContact O-CG 3.48Å; V126-K164 PolarHBondContact O-N 3.4Å; D127-K164 WeakPolarHBondContact OD1-CD 3.44Å; D127-K164 WeakPolarHBondContact OD1-CE 3.46Å; D127-K164 IonicContact OD1-NZ 2.78Å; D127-K164 PolarHBondContact OD1-NZ 3.32Å; D127-K164 IonicContact OD2-NZ 2.84Å; D127-K164 PolarHBondContact OD2-NZ 2.71Å; K164-G168 VanDerWaalsContact O-CA 3.29Å; K164-G168 WeakPolarHBondContact O-CA 3.26Å; K164-G168 PolarHBondContact O-N 3.02Å
165P97.2Very high97.7Very high56 Ų5624.6 Ų24.636%0.36414%0.14SC..THydrogen-bonded Turntrans-57.9143172.4-26.936.7000112.3L163 T167 N218L163-P165 WeakPolarHBondContact O-CD 3.42Å; P165-T167 PolarHBondContact O-N 3.16Å; P165-T167 VanDerWaalsContact O-N 3.12Å; P165-N218 HydrophobicContact CB-CB 3.62Å; P165-N218 HydrophobicContact CG-CB 3.73Å; P165-N218 WeakPolarHBondContact CG-ND2 3.26Å
166G96Very high97.4Very high48 Ų4829.5 Ų29.550%0.49516%0.163SC..THydrogen-bonded Turntrans80.2-31178.400000115.1R215 F216G166-R215 WeakPolarHBondContact O-CA 3.39Å; G166-R215 WeakPolarHBondContact O-CB 3.33Å; G166-F216 WeakPolarHBondContact CA-O 3.47Å; G166-F216 PolarHBondContact N-O 3.4Å
167T96.7Very high97.2Very high87 Ų8730.6 Ų30.653%0.53418%0.175SC..THydrogen-bonded Turntrans-121.2-21.8-175.557.90000114.3P165 C169P165-T167 PolarHBondContact O-N 3.16Å; P165-T167 VanDerWaalsContact O-N 3.12Å; T167-C169 PolarHBondContact O-SG 2.96Å
168G98.6Very high97.1Very high0 Ų034.2 Ų34.20%018%0.182CC..  trans-56.7137.7-173.700000113.5D127 K164 R215 F216D127-G168 WeakPolarHBondContact O-CA 3.26Å; K164-G168 VanDerWaalsContact O-CA 3.29Å; K164-G168 WeakPolarHBondContact O-CA 3.26Å; K164-G168 PolarHBondContact O-N 3.02Å; G168-R215 PolarHBondContact O-N 3.16Å; G168-R215 VanDerWaalsContact O-N 3.15Å; G168-F216 PolarHBondContact O-N 2.86Å
169C98.8Very high97.1Very high12 Ų1235.9 Ų35.98%0.08119%0.188CC..EExtended strand (participates in β ladder)trans-117.4143.9178.8-65.10000111.7F48 D127 A128 L129 L163 T167 G213F48-C169 HydrophobicContact CB-CB 4.48Å; F48-C169 HydrophobicContact CD2-CB 3.89Å; D127-C169 PolarHBondContact O-N 3.42Å; A128-C169 CarbonylContact C-O 3.58Å; A128-C169 VanDerWaalsContact CA-O 3.26Å; A128-C169 WeakPolarHBondContact CA-O 3.29Å; A128-C169 HydrophobicContact CB-CB 4.22Å; L129-C169 PolarHBondContact N-O 3.32Å; L163-C169 WeakPolarHBondContact CD2-O 3.38Å; T167-C169 PolarHBondContact O-SG 2.96Å; C169-G213 CarbonylContact C-O 3.39Å; C169-G213 WeakPolarHBondContact CA-O 3.37Å
170F98.8Very high96.9Very high0 Ų039 Ų390%020%0.203CC..EExtended strand (participates in β ladder)trans-124.6135.3177.2176.9-113.7000110.1L129 C155 L156 A159 L163 C172 I187 F191 M212 G213L129-F170 HydrophobicContact CB-CD2 4.36Å; L129-F170 HydrophobicContact CD2-CD2 3.84Å; L129-F170 HydrophobicContact CD2-CE2 3.74Å; L129-F170 CarbonylContact O-C 3.26Å; L129-F170 WeakPolarHBondContact O-CA 3.42Å; C155-F170 HydrophobicContact CB-CE2 4Å; C155-F170 HydrophobicContact CB-CZ 4.1Å; L156-F170 HydrophobicContact CB-CE1 4.15Å; L156-F170 HydrophobicContact CB-CZ 3.89Å; L156-F170 HydrophobicContact CD1-CD1 4.04Å; L156-F170 HydrophobicContact CD1-CE1 3.96Å; L156-F170 HydrophobicContact CD1-CG 4.46Å; L156-F170 HydrophobicContact CD1-CZ 4.33Å; A159-F170 HydrophobicContact CB-CD2 3.51Å; A159-F170 HydrophobicContact CB-CE2 3.92Å; A159-F170 HydrophobicContact CB-CG 4.21Å; L163-F170 HydrophobicContact CD1-CB 4.16Å; F170-C172 HydrophobicContact CE1-CB 3.77Å; F170-C172 VanDerWaalsContact CE1-SG 3.51Å; F170-C172 HydrophobicContact CE2-CB 4.28Å; F170-C172 HydrophobicContact CZ-CB 3.52Å; F170-I187 HydrophobicContact CD1-CD1 4.22Å; F170-I187 HydrophobicContact CD1-CG1 4.37Å; F170-I187 HydrophobicContact CE1-CD1 3.91Å; F170-I187 HydrophobicContact CE1-CG1 4.21Å; F170-F191 HydrophobicContact CB-CE1 3.79Å; F170-F191 HydrophobicContact CB-CE2 3.9Å; F170-F191 HydrophobicContact CB-CZ 3.33Å; F170-F191 HydrophobicContact CD1-CE2 4.49Å; F170-F191 HydrophobicContact CG-CE2 4.46Å; F170-F191 HydrophobicContact CG-CZ 4.23Å; F170-M212 CarbonylContact O-C 3.55Å; F170-M212 WeakPolarHBondContact O-CA 3.44Å; F170-G213 PolarHBondContact N-O 3.19Å; F170-G213 PolarHBondContact O-N 3.02Å
171L98.9Very high96.9Very high0 Ų040.2 Ų40.20%022%0.219CC..EExtended strand (participates in β ladder)trans-134.5124.1173.5-179.372.4000109.1L39 I42 F48 W65 L129 V130 S131 Y210 F211 M212L39-L171 HydrophobicContact CD1-CD2 4.08Å; I42-L171 HydrophobicContact CD1-CD1 4.48Å; I42-L171 HydrophobicContact CD1-CD2 4.08Å; I42-L171 HydrophobicContact CG2-CD1 4.18Å; I42-L171 HydrophobicContact CG2-CD2 4.13Å; F48-L171 HydrophobicContact CE1-CD2 4.39Å; F48-L171 HydrophobicContact CZ-CB 4.35Å; F48-L171 HydrophobicContact CZ-CD2 3.85Å; W65-L171 HydrophobicContact CH2-CD2 3.79Å; W65-L171 HydrophobicContact CZ3-CD2 4.03Å; L129-L171 PolarHBondContact O-N 2.77Å; V130-L171 CarbonylContact C-O 3.6Å; V130-L171 WeakPolarHBondContact CA-O 3.38Å; V130-L171 HydrophobicContact CB-CB 4.29Å; V130-L171 HydrophobicContact CB-CD2 4.44Å; V130-L171 HydrophobicContact CG1-CB 4.05Å; V130-L171 HydrophobicContact CG1-CD2 4.32Å; S131-L171 PolarHBondContact N-O 2.8Å; L171-Y210 HydrophobicContact CG-CD1 4.41Å; L171-F211 CarbonylContact C-O 3.3Å; L171-F211 WeakPolarHBondContact CA-O 3.39Å; L171-M212 HydrophobicContact CD1-CB 3.8Å; L171-M212 HydrophobicContact CD1-CG 4.22Å
172C98.6Very high96.9Very high1 Ų140.9 Ų40.91%0.00723%0.226CC..EExtended strand (participates in β ladder)trans-134.2145.1175.169.20000112.6F170 Y210 F211F170-C172 HydrophobicContact CE1-CB 3.77Å; F170-C172 VanDerWaalsContact CE1-SG 3.51Å; F170-C172 HydrophobicContact CE2-CB 4.28Å; F170-C172 HydrophobicContact CZ-CB 3.52Å; C172-Y210 CarbonylContact O-C 3.57Å; C172-Y210 VanDerWaalsContact O-CA 3.26Å; C172-Y210 WeakPolarHBondContact O-CA 3.18Å; C172-F211 PolarHBondContact N-O 2.96Å; C172-F211 PolarHBondContact O-N 3.41Å
173K97.9Very high96.9Very high18 Ų1840.9 Ų40.98%0.07823%0.226CC..EExtended strand (participates in β ladder)trans-70.7147.2168.7-171.6-166.6-165.2123.70111.6S131 D132 A133 A134 I148 S152 E208 Y210S131-K173 PolarHBondContact O-N 3.22Å; D132-K173 WeakPolarHBondContact OD1-CD 3.26Å; D132-K173 IonicContact OD1-NZ 2.67Å; D132-K173 PolarHBondContact OD1-NZ 3.3Å; A133-K173 WeakPolarHBondContact O-CD 3.2Å; A134-K173 HydrophobicContact CB-CD 4.04Å; I148-K173 HydrophobicContact CD1-CD 4.12Å; I148-K173 HydrophobicContact CD1-CG 4.24Å; S152-K173 PolarHBondContact OG-O 3.48Å; K173-E208 WeakPolarHBondContact CE-OE2 2.81Å; K173-E208 HydrophobicContact CG-CG 4.23Å; K173-E208 IonicContact NZ-OE2 3.56Å; K173-E208 PolarHBondContact NZ-OE2 3.01Å; K173-Y210 HydrophobicContact CB-CD1 4.08Å; K173-Y210 HydrophobicContact CB-CE1 3.71Å; K173-Y210 HydrophobicContact CG-CE1 4.07Å
174I96.5Very high96.9Very high0 Ų041.3 Ų41.30%023%0.229CC..EExtended strand (participates in β ladder)trans-145.1164.9165.1-173.8155.8000110.3I148 V149 Q180 L183 E208 L209 F211I148-I174 HydrophobicContact CG2-CG1 4.41Å; V149-I174 HydrophobicContact CG2-CD1 3.65Å; V149-I174 HydrophobicContact CG2-CG1 4.39Å; I174-Q180 HydrophobicContact CD1-CB 4.15Å; I174-L183 HydrophobicContact CD1-CD2 3.54Å; I174-E208 WeakPolarHBondContact O-CA 3.29Å; I174-L209 HydrophobicContact CG2-CB 3.9Å; I174-L209 PolarHBondContact N-O 3.36Å; I174-L209 PolarHBondContact O-N 2.98Å; I174-L209 VanDerWaalsContact O-O 3.09Å; I174-F211 HydrophobicContact CD1-CE2 4.33Å; I174-F211 HydrophobicContact CG2-CD1 4.16Å; I174-F211 HydrophobicContact CG2-CD2 4.41Å; I174-F211 HydrophobicContact CG2-CE1 4.06Å; I174-F211 HydrophobicContact CG2-CE2 4.32Å; I174-F211 HydrophobicContact CG2-CG 4.35Å; I174-F211 HydrophobicContact CG2-CZ 4.15Å
175W94.9Very high96.9Very high55 Ų5541.3 Ų41.321%0.20824%0.239CC..EExtended strand (participates in β ladder)trans-106.4138.9163.3-62.7-37.4000109.5A134 P135 D144 H145 I148 G177 A207A134-W175 HydrophobicContact CB-CH2 4.33Å; A134-W175 HydrophobicContact CB-CZ2 3.96Å; P135-W175 HydrophobicContact CG-CH2 4Å; P135-W175 HydrophobicContact CG-CZ3 3.83Å; D144-W175 HydrophobicContact CB-CE3 4.25Å; D144-W175 HydrophobicContact CB-CZ3 3.82Å; H145-W175 PolarHBondContact CE1-O 3.11Å; H145-W175 PolarHBondContact ND1-O 3.42Å; I148-W175 HydrophobicContact CB-CD2 4.45Å; I148-W175 HydrophobicContact CB-CE3 3.96Å; I148-W175 HydrophobicContact CB-CZ3 4.24Å; I148-W175 HydrophobicContact CD1-CD2 3.53Å; I148-W175 HydrophobicContact CD1-CE3 3.89Å; I148-W175 HydrophobicContact CD1-CG 3.81Å; I148-W175 HydrophobicContact CD1-CH2 4.46Å; I148-W175 HydrophobicContact CD1-CZ2 4.16Å; I148-W175 HydrophobicContact CD1-CZ3 4.32Å; I148-W175 HydrophobicContact CG2-CB 4.24Å; I148-W175 HydrophobicContact CG2-CD2 4.2Å; I148-W175 HydrophobicContact CG2-CE3 3.76Å; I148-W175 HydrophobicContact CG2-CG 4.42Å; I148-W175 HydrophobicContact CG2-CZ3 4.47Å; W175-G177 PolarHBondContact O-N 3.17Å; W175-A207 CarbonylContact C-O 3.6Å; W175-A207 WeakPolarHBondContact CA-O 3.25Å; W175-A207 HydrophobicContact CB-CB 4.31Å
176Q92.7Very high96.9Very high105 Ų10542.3 Ų42.349%0.49124%0.239SC..SBendtrans-53.5132.2177.5-73.6172.736.100111Q180 A207 L209Q176-Q180 VanDerWaalsContact CA-OE1 3.31Å; Q176-A207 HydrophobicContact CB-CB 4.18Å; Q176-A207 WeakPolarHBondContact CG-O 3.49Å; Q176-A207 PolarHBondContact N-O 3.39Å; Q176-L209 HydrophobicContact CG-CD1 3.28Å; Q176-L209 HydrophobicContact CG-CG 3.79Å
177G93.7Very high97Very high26 Ų2640 Ų4027%0.26822%0.216SC..SBendtrans173.6-177.7-17900000113.1H145 W175 R179 Q180H145-G177 VanDerWaalsContact CE1-C 3.43Å; H145-G177 WeakPolarHBondContact CE1-CA 3.05Å; H145-G177 WeakPolarHBondContact ND1-CA 3.45Å; W175-G177 PolarHBondContact O-N 3.17Å; G177-R179 PolarHBondContact O-N 3.2Å; G177-Q180 WeakPolarHBondContact O-CB 3.04Å; G177-Q180 WeakPolarHBondContact O-CG 3.41Å; G177-Q180 PolarHBondContact O-N 3.23Å; G177-Q180 VanDerWaalsContact O-N 3.11Å; G177-Q180 PolarHBondContact O-OE1 2.95Å
178Y95.4Very high97.1Very high128 Ų12840.5 Ų40.550%0.50221%0.21SC..THydrogen-bonded Turntrans-65.7-34.3-162.163.7-82.4000114.5H142 H145 E146H142-Y178 AromaticContact CD2-CE1 3.84Å; H142-Y178 AromaticContact CD2-CZ 3.96Å; H142-Y178 PolarHBondContact CE1-OH 3.24Å; H142-Y178 AromaticContact NE2-CZ 3.69Å; H142-Y178 PolarHBondContact NE2-OH 2.82Å; H145-Y178 HydrophobicContact CB-CE1 4.32Å; H145-Y178 AromaticContact CD2-CD1 3.48Å; H145-Y178 VanDerWaalsContact CD2-CD1 3.48Å; H145-Y178 WeakPolarHBondContact CD2-CD1 3.41Å; H145-Y178 AromaticContact CD2-CE1 3.39Å; H145-Y178 WeakPolarHBondContact CD2-CE1 3.25Å; E146-Y178 VanDerWaalsContact CG-OH 3.29Å; E146-Y178 WeakPolarHBondContact CG-OH 3.12Å; E146-Y178 PolarHBondContact OE1-OH 3.04Å
179R97Very high97Very high35 Ų3544.5 Ų44.513%0.13224%0.235CC..THydrogen-bonded Turntrans-85.34.5175.6-58.617967.7-156.3-7.4115.5H145 E146 V149 N150 G177 A181 E182 L183H145-R179 PolarHBondContact NE2-N 3.33Å; E146-R179 WeakPolarHBondContact OE1-CD 3.14Å; E146-R179 IonicContact OE1-NE 2.71Å; E146-R179 IonicContact OE1-NH1 3.55Å; E146-R179 IonicContact OE2-CZ 2.82Å; E146-R179 IonicContact OE2-NE 3.15Å; E146-R179 IonicContact OE2-NH1 3.24Å; E146-R179 PolarHBondContact OE2-NH1 2.88Å; V149-R179 HydrophobicContact CG1-CB 4.17Å; V149-R179 HydrophobicContact CG2-CB 4.1Å; N150-R179 PolarHBondContact OD1-NH1 3.45Å; G177-R179 PolarHBondContact O-N 3.2Å; R179-A181 PolarHBondContact O-N 2.96Å; R179-E182 IonicContact CZ-OE1 3.68Å; R179-E182 IonicContact CZ-OE2 3.96Å; R179-E182 IonicContact NE-OE1 2.75Å; R179-E182 IonicContact NE-OE2 3.15Å; R179-E182 PolarHBondContact NE-OE2 3.39Å; R179-E182 IonicContact NH2-OE1 3.68Å; R179-E182 PolarHBondContact NH2-OE1 3.22Å; R179-E182 IonicContact NH2-OE2 3.95Å; R179-E182 WeakPolarHBondContact O-CB 3.3Å; R179-E182 PolarHBondContact O-N 3.18Å; R179-L183 PolarHBondContact O-N 3.08Å; R179-L183 VanDerWaalsContact O-N 3.17Å
180Q95.5Very high97Very high65 Ų6545.6 Ų45.630%0.30424%0.239SC..Hα-helixtrans-62.7-31.7-179.178.8-175.333.500112.3I174 Q176 G177 A184 F211I174-Q180 HydrophobicContact CD1-CB 4.15Å; Q176-Q180 VanDerWaalsContact CA-OE1 3.31Å; G177-Q180 WeakPolarHBondContact O-CB 3.04Å; G177-Q180 WeakPolarHBondContact O-CG 3.41Å; G177-Q180 PolarHBondContact O-N 3.23Å; G177-Q180 VanDerWaalsContact O-N 3.11Å; G177-Q180 PolarHBondContact O-OE1 2.95Å; Q180-A184 VanDerWaalsContact O-CB 3.31Å; Q180-A184 WeakPolarHBondContact O-CB 3.37Å; Q180-A184 PolarHBondContact O-N 3.12Å; Q180-F211 HydrophobicContact CB-CE2 4.45Å; Q180-F211 HydrophobicContact CB-CZ 4.03Å; Q180-F211 VanDerWaalsContact O-CE2 3.26Å; Q180-F211 WeakPolarHBondContact O-CE2 3.19Å
181A96.5Very high97Very high71 Ų7145.6 Ų45.659%0.58724%0.239SC*.Hα-helixtrans-69.8-37178.300000112.1R179 A184 A185R179-A181 PolarHBondContact O-N 2.96Å; A181-A184 PolarHBondContact O-N 3.21Å; A181-A185 WeakPolarHBondContact O-CB 3.4Å; A181-A185 PolarHBondContact O-N 2.97Å
182E97.3Very high96.9Very high96 Ų9646.9 Ų46.945%0.44925%0.248SC..Hα-helixtrans-61.5-52.9174.4-178.5-164.6146.700110.5R179 A184 A185 E186R179-E182 IonicContact CZ-OE1 3.68Å; R179-E182 IonicContact CZ-OE2 3.96Å; R179-E182 IonicContact NE-OE1 2.75Å; R179-E182 IonicContact NE-OE2 3.15Å; R179-E182 PolarHBondContact NE-OE2 3.39Å; R179-E182 IonicContact NH2-OE1 3.68Å; R179-E182 PolarHBondContact NH2-OE1 3.22Å; R179-E182 IonicContact NH2-OE2 3.95Å; R179-E182 WeakPolarHBondContact O-CB 3.3Å; R179-E182 PolarHBondContact O-N 3.18Å; E182-A184 VanDerWaalsContact C-N 3.31Å; E182-A184 PolarHBondContact O-N 3.42Å; E182-A185 WeakPolarHBondContact O-CB 3.41Å; E182-A185 PolarHBondContact O-N 3.39Å; E182-A185 VanDerWaalsContact O-N 3.15Å; E182-E186 PolarHBondContact O-N 3.33Å
183L97.8Very high96.9Very high0 Ų048.7 Ų48.70%026%0.259CS..Hα-helixtrans-60.4-41.5177.2178.864.8000111.9L153 I174 R179 A185 E186 I187 F211L153-L183 HydrophobicContact CD2-CD1 3.62Å; L153-L183 HydrophobicContact CG-CD1 4Å; I174-L183 HydrophobicContact CD1-CD2 3.54Å; R179-L183 PolarHBondContact O-N 3.08Å; R179-L183 VanDerWaalsContact O-N 3.17Å; L183-A185 VanDerWaalsContact C-N 3.33Å; L183-A185 PolarHBondContact O-N 3.11Å; L183-E186 PolarHBondContact O-N 2.89Å; L183-I187 HydrophobicContact CD1-CD1 4.19Å; L183-I187 HydrophobicContact CD1-CG1 4.36Å; L183-I187 HydrophobicContact CG-CD1 4.03Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 3.31Å; L183-F211 HydrophobicContact CB-CE2 4.3Å; L183-F211 HydrophobicContact CD2-CD2 3.87Å; L183-F211 HydrophobicContact CD2-CE2 4.17Å; L183-F211 HydrophobicContact CG-CD2 4.02Å; L183-F211 HydrophobicContact CG-CE2 4.27Å
184A98.4Very high96.9Very high9 Ų949.7 Ų49.77%0.07426%0.263CS..Hα-helixtrans-63.6-39.4177.400000112.1Q180 A181 E182 K188 F194 F211Q180-A184 VanDerWaalsContact O-CB 3.31Å; Q180-A184 WeakPolarHBondContact O-CB 3.37Å; Q180-A184 PolarHBondContact O-N 3.12Å; A181-A184 PolarHBondContact O-N 3.21Å; E182-A184 VanDerWaalsContact C-N 3.31Å; E182-A184 PolarHBondContact O-N 3.42Å; A184-K188 WeakPolarHBondContact O-CB 3.36Å; A184-K188 WeakPolarHBondContact O-CD 3.1Å; A184-K188 WeakPolarHBondContact O-CG 3.35Å; A184-K188 PolarHBondContact O-N 2.97Å; A184-F194 HydrophobicContact CB-CE1 4.16Å; A184-F194 HydrophobicContact CB-CE2 4.03Å; A184-F194 HydrophobicContact CB-CZ 3.56Å; A184-F211 HydrophobicContact CB-CD2 4.31Å; A184-F211 HydrophobicContact CB-CE2 3.78Å; A184-F211 HydrophobicContact CB-CZ 4.18Å
185A98Very high97Very high55 Ų5552 Ų5246%0.45527%0.274SS..Hα-helixtrans-64.3-43.6175.400000111A181 E182 L183 K188 T189A181-A185 WeakPolarHBondContact O-CB 3.4Å; A181-A185 PolarHBondContact O-N 2.97Å; E182-A185 WeakPolarHBondContact O-CB 3.41Å; E182-A185 PolarHBondContact O-N 3.39Å; E182-A185 VanDerWaalsContact O-N 3.15Å; L183-A185 VanDerWaalsContact C-N 3.33Å; L183-A185 PolarHBondContact O-N 3.11Å; A185-K188 PolarHBondContact O-N 3.46Å; A185-T189 PolarHBondContact O-N 3.2Å; A185-T189 VanDerWaalsContact O-N 3.09Å; A185-T189 PolarHBondContact O-OG1 3.33Å
186E97.7Very high97.1Very high78 Ų7852.4 Ų52.436%0.36429%0.285SS..Hα-helixtrans-60.6-48.4177.5-171.957.6-153.400111.5L153 L156 E182 L183 K188 T189 H190L153-E186 HydrophobicContact CD2-CG 4.26Å; L156-E186 HydrophobicContact CD2-CB 4.39Å; L156-E186 HydrophobicContact CD2-CG 3.68Å; E182-E186 PolarHBondContact O-N 3.33Å; L183-E186 PolarHBondContact O-N 2.89Å; E186-K188 VanDerWaalsContact C-N 3.31Å; E186-K188 PolarHBondContact O-N 3.06Å; E186-T189 VanDerWaalsContact O-CB 3.31Å; E186-T189 WeakPolarHBondContact O-CB 3.21Å; E186-T189 PolarHBondContact O-N 2.98Å; E186-T189 VanDerWaalsContact O-N 3.11Å; E186-H190 PolarHBondContact O-CD2 3.35Å; E186-H190 IonicContact OE1-CD2 3.6Å; E186-H190 IonicContact OE1-CE1 3.38Å; E186-H190 IonicContact OE1-NE2 3.4Å; E186-H190 PolarHBondContact OE1-NE2 3.38Å
187I98.3Very high97.3Very high0 Ų047.7 Ų47.70%026%0.263CS..Hα-helixtrans-60.2-41.8175.5-64.2168.1000110.7L156 F170 L183 T189 H190 F191 F194 F211L156-I187 HydrophobicContact CD1-CG1 4.37Å; L156-I187 HydrophobicContact CD2-CG1 3.96Å; F170-I187 HydrophobicContact CD1-CD1 4.22Å; F170-I187 HydrophobicContact CD1-CG1 4.37Å; F170-I187 HydrophobicContact CE1-CD1 3.91Å; F170-I187 HydrophobicContact CE1-CG1 4.21Å; L183-I187 HydrophobicContact CD1-CD1 4.19Å; L183-I187 HydrophobicContact CD1-CG1 4.36Å; L183-I187 HydrophobicContact CG-CD1 4.03Å; L183-I187 WeakPolarHBondContact O-CG1 3.46Å; L183-I187 PolarHBondContact O-N 3.31Å; I187-T189 PolarHBondContact O-N 2.83Å; I187-H190 PolarHBondContact O-N 2.82Å; I187-F191 HydrophobicContact CG2-CD2 3.72Å; I187-F191 HydrophobicContact CG2-CE2 4.31Å; I187-F191 HydrophobicContact CG2-CG 4.43Å; I187-F191 WeakPolarHBondContact O-CD2 3.32Å; I187-F191 PolarHBondContact O-N 3.13Å; I187-F194 HydrophobicContact CB-CD2 4.15Å; I187-F194 HydrophobicContact CB-CE2 4.21Å; I187-F194 HydrophobicContact CD1-CE2 4.27Å; I187-F194 HydrophobicContact CG2-CD2 3.76Å; I187-F194 HydrophobicContact CG2-CE2 4.16Å; I187-F211 HydrophobicContact CD1-CB 3.77Å; I187-F211 HydrophobicContact CD1-CD2 4.03Å; I187-F211 HydrophobicContact CD1-CG 4.43Å
188K97.9Very high97.3Very high96 Ų9650.4 Ų50.442%0.41727%0.267SS..Hα-helixtrans-64.4-20.6178.9-76.1170.2-177.2-177.90113.9A184 A185 E186 H190 F194A184-K188 WeakPolarHBondContact O-CB 3.36Å; A184-K188 WeakPolarHBondContact O-CD 3.1Å; A184-K188 WeakPolarHBondContact O-CG 3.35Å; A184-K188 PolarHBondContact O-N 2.97Å; A185-K188 PolarHBondContact O-N 3.46Å; E186-K188 VanDerWaalsContact C-N 3.31Å; E186-K188 PolarHBondContact O-N 3.06Å; K188-H190 VanDerWaalsContact C-N 3.33Å; K188-F194 HydrophobicContact CD-CB 4.4Å; K188-F194 HydrophobicContact CD-CD1 4.47Å; K188-F194 HydrophobicContact CD-CG 4.33Å; K188-F194 HydrophobicContact CG-CB 3.62Å; K188-F194 HydrophobicContact CG-CD1 4.4Å; K188-F194 HydrophobicContact CG-CD2 4.09Å; K188-F194 HydrophobicContact CG-CG 3.78Å
189T97.3Very high97.1Very high85 Ų8544.6 Ų44.652%0.52125%0.246SC..Hα-helixtrans-70-33172.9-60.90000111.6A185 E186 I187A185-T189 PolarHBondContact O-N 3.2Å; A185-T189 VanDerWaalsContact O-N 3.09Å; A185-T189 PolarHBondContact O-OG1 3.33Å; E186-T189 VanDerWaalsContact O-CB 3.31Å; E186-T189 WeakPolarHBondContact O-CB 3.21Å; E186-T189 PolarHBondContact O-N 2.98Å; E186-T189 VanDerWaalsContact O-N 3.11Å; I187-T189 PolarHBondContact O-N 2.83Å
190H97.9Very high96.7Very high34 Ų3449.1 Ų49.116%0.15727%0.272CS..Hα-helixtrans-104.4-12-171.4-60-67.1000114.3L160 E186 I187 K188 F216 L217L160-H190 HydrophobicContact CD2-CB 3.51Å; L160-H190 VanDerWaalsContact CD2-CG 3.4Å; E186-H190 PolarHBondContact O-CD2 3.35Å; E186-H190 IonicContact OE1-CD2 3.6Å; E186-H190 IonicContact OE1-CE1 3.38Å; E186-H190 IonicContact OE1-NE2 3.4Å; E186-H190 PolarHBondContact OE1-NE2 3.38Å; I187-H190 PolarHBondContact O-N 2.82Å; K188-H190 VanDerWaalsContact C-N 3.33Å; H190-F216 HydrophobicContact CB-CD2 4.42Å; H190-F216 HydrophobicContact CB-CE2 4.28Å; H190-F216 WeakPolarHBondContact O-CD2 3.34Å; H190-L217 WeakPolarHBondContact O-CB 3.29Å; H190-L217 PolarHBondContact O-N 3.14Å
191F98.3Very high96.2Very high0 Ų046 Ų460%026%0.258CS..EExtended strand (participates in β ladder)trans-127.9141.3-177.3-65.5-91.8000111.8L156 L163 F170 I187 V193 F216L156-F191 HydrophobicContact CD1-CE2 3.89Å; L163-F191 HydrophobicContact CD1-CE1 3.79Å; L163-F191 HydrophobicContact CD1-CZ 3.64Å; F170-F191 HydrophobicContact CB-CE1 3.79Å; F170-F191 HydrophobicContact CB-CE2 3.9Å; F170-F191 HydrophobicContact CB-CZ 3.33Å; F170-F191 HydrophobicContact CD1-CE2 4.49Å; F170-F191 HydrophobicContact CG-CE2 4.46Å; F170-F191 HydrophobicContact CG-CZ 4.23Å; I187-F191 HydrophobicContact CG2-CD2 3.72Å; I187-F191 HydrophobicContact CG2-CE2 4.31Å; I187-F191 HydrophobicContact CG2-CG 4.43Å; I187-F191 WeakPolarHBondContact O-CD2 3.32Å; I187-F191 PolarHBondContact O-N 3.13Å; F191-V193 VanDerWaalsContact C-N 3.3Å; F191-V193 PolarHBondContact O-N 2.99Å; F191-F216 HydrophobicContact CD1-CB 4.11Å; F191-F216 HydrophobicContact CE1-CB 3.72Å; F191-F216 HydrophobicContact CE1-CD2 4.25Å; F191-F216 HydrophobicContact CE1-CG 4.36Å; F191-F216 HydrophobicContact CZ-CB 4.39Å; F191-F216 HydrophobicContact CZ-CD2 4.14Å
192S97Very high95.6Very high27 Ų2742.8 Ų42.819%0.18923%0.231CC..EExtended strand (participates in β ladder)trans-67.7-31.2-178.974.70000113.3E214 R215 R222S192-E214 PolarHBondContact N-O 3.15Å; S192-E214 VanDerWaalsContact N-O 3.1Å; S192-E214 PolarHBondContact OG-O 3.14Å; S192-E214 VanDerWaalsContact OG-O 3.07Å; S192-R215 PolarHBondContact N-O 3.42Å; S192-R215 VanDerWaalsContact OG-CB 3.3Å; S192-R215 WeakPolarHBondContact OG-CB 3.28Å; S192-R222 VanDerWaalsContact O-CZ 3.28Å; S192-R222 PolarHBondContact O-NE 2.98Å; S192-R222 PolarHBondContact O-NH2 2.89Å
193V98Very high94.8Very high39 Ų3943.2 Ų43.224%0.23623%0.229CC..EExtended strand (participates in β ladder)trans-130.9139.9-176.6173.40000108.9F191 H195 G213 E214F191-V193 VanDerWaalsContact C-N 3.3Å; F191-V193 PolarHBondContact O-N 2.99Å; V193-H195 WeakPolarHBondContact CG1-NE2 3.33Å; V193-G213 CarbonylContact O-C 3.59Å; V193-G213 WeakPolarHBondContact O-CA 3.48Å; V193-E214 HydrophobicContact CB-CB 4.21Å; V193-E214 PolarHBondContact N-O 3.49Å; V193-E214 PolarHBondContact O-N 3.15Å
194F98.3Very high93.6Very high40 Ų4050.6 Ų50.618%0.17527%0.268CS..EExtended strand (participates in β ladder)trans-129.9132.7180174.7-91000110.5A184 I187 K188 C196 F211 M212A184-F194 HydrophobicContact CB-CE1 4.16Å; A184-F194 HydrophobicContact CB-CE2 4.03Å; A184-F194 HydrophobicContact CB-CZ 3.56Å; I187-F194 HydrophobicContact CB-CD2 4.15Å; I187-F194 HydrophobicContact CB-CE2 4.21Å; I187-F194 HydrophobicContact CD1-CE2 4.27Å; I187-F194 HydrophobicContact CG2-CD2 3.76Å; I187-F194 HydrophobicContact CG2-CE2 4.16Å; K188-F194 HydrophobicContact CD-CB 4.4Å; K188-F194 HydrophobicContact CD-CD1 4.47Å; K188-F194 HydrophobicContact CD-CG 4.33Å; K188-F194 HydrophobicContact CG-CB 3.62Å; K188-F194 HydrophobicContact CG-CD1 4.4Å; K188-F194 HydrophobicContact CG-CD2 4.09Å; K188-F194 HydrophobicContact CG-CG 3.78Å; F194-C196 HydrophobicContact CE1-CB 4.27Å; F194-F211 HydrophobicContact CE2-CB 3.85Å; F194-F211 HydrophobicContact CE2-CD1 4.43Å; F194-F211 HydrophobicContact CE2-CD2 4.07Å; F194-F211 AromaticContact CE2-CG 3.88Å; F194-F211 HydrophobicContact CE2-CG 3.88Å; F194-F211 HydrophobicContact CZ-CB 4.11Å; F194-F211 AromaticContact CZ-CD1 3.81Å; F194-F211 HydrophobicContact CZ-CD1 3.81Å; F194-F211 AromaticContact CZ-CD2 3.94Å; F194-F211 HydrophobicContact CZ-CD2 3.94Å; F194-F211 HydrophobicContact CZ-CE1 4.16Å; F194-F211 HydrophobicContact CZ-CE2 4.28Å; F194-F211 AromaticContact CZ-CG 3.69Å; F194-F211 HydrophobicContact CZ-CG 3.69Å; F194-F211 HydrophobicContact CZ-CZ 4.38Å; F194-M212 CarbonylContact C-O 3.42Å; F194-M212 VanDerWaalsContact CA-O 3.28Å; F194-M212 WeakPolarHBondContact CA-O 3.37Å
195H98.3Very high92.7Very high47 Ų4756.2 Ų56.222%0.21829%0.292CS..EExtended strand (participates in β ladder)trans-124.6139.9172.5-57.5-69.6000111Y46 V193 V197 M212 E214Y46-H195 HydrophobicContact CE1-CB 4.49Å; Y46-H195 AromaticContact CE1-CE1 3.84Å; Y46-H195 AromaticContact CE1-CG 3.84Å; Y46-H195 AromaticContact CE1-ND1 3.73Å; Y46-H195 HydrophobicContact CE2-CB 4.39Å; Y46-H195 AromaticContact CZ-CG 3.94Å; V193-H195 WeakPolarHBondContact CG1-NE2 3.33Å; H195-V197 HydrophobicContact CB-CG2 4.12Å; H195-M212 HydrophobicContact CB-CB 4.21Å; H195-M212 PolarHBondContact N-O 3.48Å; H195-M212 PolarHBondContact O-N 3.44Å; H195-E214 IonicContact CD2-OE1 2.83Å; H195-E214 PolarHBondContact CD2-OE1 2.98Å; H195-E214 IonicContact NE2-OE1 2.91Å; H195-E214 PolarHBondContact NE2-OE1 3.41Å
196C97.6Very high91.9Very high65 Ų6555.3 Ų55.344%0.43928%0.283SS..EExtended strand (participates in β ladder)trans-103.6126.8163.9178.20000107.9F194 F211F194-C196 HydrophobicContact CE1-CB 4.27Å; C196-F211 HydrophobicContact CB-CD1 4.22Å; C196-F211 HydrophobicContact CB-CE1 4.17Å
197V96.5Very high91.4Very high6 Ų653.6 Ų53.64%0.03628%0.282CS..EExtended strand (participates in β ladder)trans-127.2130.4-170.2-164.70000110.4I42 Y46 H195 Y210I42-V197 HydrophobicContact CG1-CG1 3.99Å; Y46-V197 HydrophobicContact CD2-CG2 4.15Å; Y46-V197 HydrophobicContact CE2-CG1 4.17Å; Y46-V197 HydrophobicContact CE2-CG2 3.53Å; H195-V197 HydrophobicContact CB-CG2 4.12Å; V197-Y210 PolarHBondContact N-O 3.45Å; V197-Y210 PolarHBondContact O-N 2.91Å
198K94Very high91.1Very high82 Ų8254.1 Ų54.136%0.35729%0.285SS..  trans-114.4100.1169.9-179.362.9172.8173.90108.5S206 E208 L209K198-S206 PolarHBondContact NZ-O 3.15Å; K198-E208 WeakPolarHBondContact CD-O 3.38Å; K198-E208 WeakPolarHBondContact CE-O 3.25Å; K198-E208 PolarHBondContact NZ-O 3.34Å; K198-L209 HydrophobicContact CB-CD2 3.84Å; K198-L209 HydrophobicContact CD-CD2 3.94Å; K198-L209 HydrophobicContact CG-CD2 4.39Å
199P91Very high91Very high7 Ų750.2 Ų50.25%0.04527%0.268CS..  trans-64.1145.7177-22.333.9000111.5K38 E41 I42 A201 S202 Y210K38-P199 HydrophobicContact CB-CB 4.05Å; K38-P199 HydrophobicContact CB-CG 4.1Å; K38-P199 HydrophobicContact CG-CB 4.21Å; E41-P199 WeakPolarHBondContact OE2-CB 3.34Å; I42-P199 HydrophobicContact CD1-CG 3.79Å; I42-P199 HydrophobicContact CG1-CG 3.83Å; P199-A201 PolarHBondContact O-N 3.39Å; P199-S202 VanDerWaalsContact O-CB 3.26Å; P199-S202 WeakPolarHBondContact O-CB 3.41Å; P199-S202 PolarHBondContact O-N 2.9Å; P199-S202 VanDerWaalsContact O-N 3.1Å; P199-S202 PolarHBondContact O-OG 2.66Å; P199-Y210 HydrophobicContact CG-CD2 3.68Å; P199-Y210 HydrophobicContact CG-CE2 3.75Å
200N88.2Confident91.1Very high129 Ų12946.2 Ų46.269%0.6924%0.244SC*.THydrogen-bonded Turntrans-70.2-25172.8-66.5-29000111.1Y22 E41 S202Y22-N200 PolarHBondContact OH-O 2.91Å; E41-N200 WeakPolarHBondContact OE2-CA 3.47Å; E41-N200 PolarHBondContact OE2-N 2.85Å; N200-S202 PolarHBondContact O-N 2.94Å
201A85.8Confident91.1Very high0 Ų044.8 Ų44.80%024%0.237CC..THydrogen-bonded Turntrans-69.3-14.4170.600000113.3Y22 R34 F37 K38 E41 P199Y22-A201 HydrophobicContact CD1-CB 4.07Å; Y22-A201 HydrophobicContact CE1-CB 3.72Å; Y22-A201 HydrophobicContact CE2-CB 4.22Å; Y22-A201 HydrophobicContact CG-CB 4.45Å; Y22-A201 VanDerWaalsContact CZ-CA 3.46Å; Y22-A201 PolarHBondContact OH-N 3.39Å; R34-A201 PolarHBondContact NH1-O 2.83Å; R34-A201 PolarHBondContact NH2-O 2.75Å; F37-A201 HydrophobicContact CB-CB 3.84Å; K38-A201 HydrophobicContact CB-CB 4.44Å; K38-A201 HydrophobicContact CG-CB 3.71Å; E41-A201 WeakPolarHBondContact OE1-CB 3.3Å; E41-A201 PolarHBondContact OE1-N 2.67Å; E41-A201 PolarHBondContact OE2-N 3.35Å; P199-A201 PolarHBondContact O-N 3.39Å
202S83.4Confident91.1Very high4 Ų444.8 Ų44.83%0.02824%0.237CC..SBendtrans-68.1145.9168.6-61.40000109.9P199 N200 E208P199-S202 VanDerWaalsContact O-CB 3.26Å; P199-S202 WeakPolarHBondContact O-CB 3.41Å; P199-S202 PolarHBondContact O-N 2.9Å; P199-S202 VanDerWaalsContact O-N 3.1Å; P199-S202 PolarHBondContact O-OG 2.66Å; N200-S202 PolarHBondContact O-N 2.94Å; S202-E208 WeakPolarHBondContact CB-OE1 3.26Å; S202-E208 PolarHBondContact OG-OE1 3.34Å
203R80.4Confident91.2Very high105 Ų10543.5 Ų43.540%0.39623%0.228SC..  trans-66.1142.9174.6-64.4-176.3178.5168.1-0.1109.5E205 S206R203-E205 VanDerWaalsContact C-N 3.25Å; R203-E205 HydrophobicContact CB-CG 4.47Å; R203-E205 PolarHBondContact O-N 3.03Å; R203-S206 WeakPolarHBondContact O-CB 3.45Å; R203-S206 PolarHBondContact O-N 3.04Å
204N74.2Confident91.2Very high154 Ų15443.3 Ų43.382%0.82422%0.224SC*.THydrogen-bonded Turntrans-58.8-38.7-176.5-69.7-11.7000112.1S206N204-S206 PolarHBondContact O-N 3.44Å
205E79.3Confident91.2Very high127 Ų12747.4 Ų47.459%0.59324%0.239SC*.THydrogen-bonded Turntrans-76.5-5.7177.566.3-87.6-161.800114.2R203R203-E205 VanDerWaalsContact C-N 3.25Å; R203-E205 HydrophobicContact CB-CG 4.47Å; R203-E205 PolarHBondContact O-N 3.03Å
206S80.5Confident91.1Very high37 Ų3745.4 Ų45.426%0.25923%0.229SC..  trans-82.4132-176.2-174.60000111.2K198 R203 N204 E208K198-S206 PolarHBondContact NZ-O 3.15Å; R203-S206 WeakPolarHBondContact O-CB 3.45Å; R203-S206 PolarHBondContact O-N 3.04Å; N204-S206 PolarHBondContact O-N 3.44Å; S206-E208 PolarHBondContact O-N 3.09Å; S206-E208 VanDerWaalsContact O-N 3.13Å; S206-E208 WeakPolarHBondContact OG-CB 3.36Å; S206-E208 PolarHBondContact OG-N 3.27Å; S206-E208 VanDerWaalsContact OG-N 3.14Å
207A86.9Confident91Very high42 Ų4243.9 Ų43.935%0.34722%0.217SC..  trans-68.71.2167.200000113.4W175 Q176 L209W175-A207 CarbonylContact C-O 3.6Å; W175-A207 WeakPolarHBondContact CA-O 3.25Å; W175-A207 HydrophobicContact CB-CB 4.31Å; Q176-A207 HydrophobicContact CB-CB 4.18Å; Q176-A207 WeakPolarHBondContact CG-O 3.49Å; Q176-A207 PolarHBondContact N-O 3.39Å; A207-L209 PolarHBondContact O-N 3.4Å
208E93.1Very high90.5Very high10 Ų1047.4 Ų47.45%0.04724%0.236CC..EExtended strand (participates in β ladder)trans-60.4133.1-177.3-177.7179.985.100113K38 K173 I174 K198 S202 S206 Y210K38-E208 WeakPolarHBondContact CD-OE1 3.49Å; K38-E208 WeakPolarHBondContact CE-OE1 3.47Å; K38-E208 IonicContact NZ-OE1 2.77Å; K38-E208 PolarHBondContact NZ-OE1 3.36Å; K38-E208 IonicContact NZ-OE2 3.66Å; K38-E208 PolarHBondContact NZ-OE2 3.07Å; K173-E208 WeakPolarHBondContact CE-OE2 2.81Å; K173-E208 HydrophobicContact CG-CG 4.23Å; K173-E208 IonicContact NZ-OE2 3.56Å; K173-E208 PolarHBondContact NZ-OE2 3.01Å; I174-E208 WeakPolarHBondContact O-CA 3.29Å; K198-E208 WeakPolarHBondContact CD-O 3.38Å; K198-E208 WeakPolarHBondContact CE-O 3.25Å; K198-E208 PolarHBondContact NZ-O 3.34Å; S202-E208 WeakPolarHBondContact CB-OE1 3.26Å; S202-E208 PolarHBondContact OG-OE1 3.34Å; S206-E208 PolarHBondContact O-N 3.09Å; S206-E208 VanDerWaalsContact O-N 3.13Å; S206-E208 WeakPolarHBondContact OG-CB 3.36Å; S206-E208 PolarHBondContact OG-N 3.27Å; S206-E208 VanDerWaalsContact OG-N 3.14Å; E208-Y210 HydrophobicContact CG-CE2 3.87Å
209L95.6Very high89.3Confident15 Ų1546.8 Ų46.88%0.07925%0.252CS..EExtended strand (participates in β ladder)trans-135.7165.2169.2-68.7173.9000108.9I174 Q176 K198 A207I174-L209 HydrophobicContact CG2-CB 3.9Å; I174-L209 PolarHBondContact N-O 3.36Å; I174-L209 PolarHBondContact O-N 2.98Å; I174-L209 VanDerWaalsContact O-O 3.09Å; Q176-L209 HydrophobicContact CG-CD1 3.28Å; Q176-L209 HydrophobicContact CG-CG 3.79Å; K198-L209 HydrophobicContact CB-CD2 3.84Å; K198-L209 HydrophobicContact CD-CD2 3.94Å; K198-L209 HydrophobicContact CG-CD2 4.39Å; A207-L209 PolarHBondContact O-N 3.4Å
210Y98.5Very high87.8Confident0 Ų050.2 Ų50.20%028%0.277CS..EExtended strand (participates in β ladder)trans-124.3134.5168.6-65.3-95.8000109.8K38 I42 W65 D132 L171 C172 K173 V197 P199 E208K38-Y210 HydrophobicContact CD-CE2 4.08Å; K38-Y210 WeakPolarHBondContact CD-OH 3.38Å; K38-Y210 PolarHBondContact NZ-OH 2.87Å; I42-Y210 HydrophobicContact CD1-CD1 4.25Å; I42-Y210 HydrophobicContact CD1-CD2 3.92Å; I42-Y210 HydrophobicContact CD1-CE2 4.38Å; I42-Y210 HydrophobicContact CD1-CG 3.84Å; W65-Y210 AromaticContact CH2-CD1 3.9Å; W65-Y210 HydrophobicContact CH2-CD1 3.9Å; W65-Y210 AromaticContact CH2-CE1 3.43Å; W65-Y210 HydrophobicContact CH2-CE1 3.43Å; W65-Y210 VanDerWaalsContact CH2-CE1 3.43Å; W65-Y210 HydrophobicContact CZ2-CD1 4.39Å; W65-Y210 AromaticContact CZ2-CE1 3.61Å; W65-Y210 HydrophobicContact CZ2-CE1 3.61Å; W65-Y210 AromaticContact CZ2-CZ 3.95Å; D132-Y210 VanDerWaalsContact CG-OH 3.28Å; D132-Y210 PolarHBondContact OD1-OH 3.41Å; L171-Y210 HydrophobicContact CG-CD1 4.41Å; C172-Y210 CarbonylContact O-C 3.57Å; C172-Y210 VanDerWaalsContact O-CA 3.26Å; C172-Y210 WeakPolarHBondContact O-CA 3.18Å; K173-Y210 HydrophobicContact CB-CD1 4.08Å; K173-Y210 HydrophobicContact CB-CE1 3.71Å; K173-Y210 HydrophobicContact CG-CE1 4.07Å; V197-Y210 PolarHBondContact N-O 3.45Å; V197-Y210 PolarHBondContact O-N 2.91Å; P199-Y210 HydrophobicContact CG-CD2 3.68Å; P199-Y210 HydrophobicContact CG-CE2 3.75Å; E208-Y210 HydrophobicContact CG-CE2 3.87Å
211F98.6Very high86Confident5 Ų553.3 Ų53.32%0.02228%0.284CS..EExtended strand (participates in β ladder)trans-101.5134.1170.7-72.3-4.3000109.1L171 C172 I174 Q180 L183 A184 I187 F194 C196L171-F211 CarbonylContact C-O 3.3Å; L171-F211 WeakPolarHBondContact CA-O 3.39Å; C172-F211 PolarHBondContact N-O 2.96Å; C172-F211 PolarHBondContact O-N 3.41Å; I174-F211 HydrophobicContact CD1-CE2 4.33Å; I174-F211 HydrophobicContact CG2-CD1 4.16Å; I174-F211 HydrophobicContact CG2-CD2 4.41Å; I174-F211 HydrophobicContact CG2-CE1 4.06Å; I174-F211 HydrophobicContact CG2-CE2 4.32Å; I174-F211 HydrophobicContact CG2-CG 4.35Å; I174-F211 HydrophobicContact CG2-CZ 4.15Å; Q180-F211 HydrophobicContact CB-CE2 4.45Å; Q180-F211 HydrophobicContact CB-CZ 4.03Å; Q180-F211 VanDerWaalsContact O-CE2 3.26Å; Q180-F211 WeakPolarHBondContact O-CE2 3.19Å; L183-F211 HydrophobicContact CB-CE2 4.3Å; L183-F211 HydrophobicContact CD2-CD2 3.87Å; L183-F211 HydrophobicContact CD2-CE2 4.17Å; L183-F211 HydrophobicContact CG-CD2 4.02Å; L183-F211 HydrophobicContact CG-CE2 4.27Å; A184-F211 HydrophobicContact CB-CD2 4.31Å; A184-F211 HydrophobicContact CB-CE2 3.78Å; A184-F211 HydrophobicContact CB-CZ 4.18Å; I187-F211 HydrophobicContact CD1-CB 3.77Å; I187-F211 HydrophobicContact CD1-CD2 4.03Å; I187-F211 HydrophobicContact CD1-CG 4.43Å; F194-F211 HydrophobicContact CE2-CB 3.85Å; F194-F211 HydrophobicContact CE2-CD1 4.43Å; F194-F211 HydrophobicContact CE2-CD2 4.07Å; F194-F211 AromaticContact CE2-CG 3.88Å; F194-F211 HydrophobicContact CE2-CG 3.88Å; F194-F211 HydrophobicContact CZ-CB 4.11Å; F194-F211 AromaticContact CZ-CD1 3.81Å; F194-F211 HydrophobicContact CZ-CD1 3.81Å; F194-F211 AromaticContact CZ-CD2 3.94Å; F194-F211 HydrophobicContact CZ-CD2 3.94Å; F194-F211 HydrophobicContact CZ-CE1 4.16Å; F194-F211 HydrophobicContact CZ-CE2 4.28Å; F194-F211 AromaticContact CZ-CG 3.69Å; F194-F211 HydrophobicContact CZ-CG 3.69Å; F194-F211 HydrophobicContact CZ-CZ 4.38Å; C196-F211 HydrophobicContact CB-CD1 4.22Å; C196-F211 HydrophobicContact CB-CE1 4.17Å
212M98.7Very high84.3Confident0 Ų059.7 Ų59.70%031%0.308CS..EExtended strand (participates in β ladder)trans-126.8129.5-177.2-176.7174.5171.600109.7I42 Y46 F48 F170 L171 F194 H195 E214I42-M212 HydrophobicContact CG2-SD 4.48Å; Y46-M212 HydrophobicContact CD2-SD 4.19Å; Y46-M212 HydrophobicContact CG-SD 4.21Å; F48-M212 HydrophobicContact CB-CE 3.41Å; F48-M212 VanDerWaalsContact CB-CE 3.41Å; F48-M212 HydrophobicContact CD1-CE 3.31Å; F48-M212 HydrophobicContact CD1-SD 4.1Å; F48-M212 HydrophobicContact CD2-CE 4.12Å; F48-M212 HydrophobicContact CE1-CE 4.13Å; F48-M212 HydrophobicContact CE1-SD 4.43Å; F48-M212 HydrophobicContact CG-CE 3.35Å; F170-M212 CarbonylContact O-C 3.55Å; F170-M212 WeakPolarHBondContact O-CA 3.44Å; L171-M212 HydrophobicContact CD1-CB 3.8Å; L171-M212 HydrophobicContact CD1-CG 4.22Å; F194-M212 CarbonylContact C-O 3.42Å; F194-M212 VanDerWaalsContact CA-O 3.28Å; F194-M212 WeakPolarHBondContact CA-O 3.37Å; H195-M212 HydrophobicContact CB-CB 4.21Å; H195-M212 PolarHBondContact N-O 3.48Å; H195-M212 PolarHBondContact O-N 3.44Å; M212-E214 HydrophobicContact CE-CG 3.65Å; M212-E214 WeakPolarHBondContact CE-OE1 3.5Å
213G98.7Very high82.8Confident0 Ų065.8 Ų65.80%035%0.345CS..EExtended strand (participates in β ladder)trans-113.3133.2170.500000110.2C169 F170 V193C169-G213 CarbonylContact C-O 3.39Å; C169-G213 WeakPolarHBondContact CA-O 3.37Å; F170-G213 PolarHBondContact N-O 3.19Å; F170-G213 PolarHBondContact O-N 3.02Å; V193-G213 CarbonylContact O-C 3.59Å; V193-G213 WeakPolarHBondContact O-CA 3.48Å
214E98.4Very high81.2Confident34 Ų3465.6 Ų65.616%0.15936%0.359CS..EExtended strand (participates in β ladder)trans-119.3148.6175.5-61.2-180-144.100112.2S192 V193 H195 M212S192-E214 PolarHBondContact N-O 3.15Å; S192-E214 VanDerWaalsContact N-O 3.1Å; S192-E214 PolarHBondContact OG-O 3.14Å; S192-E214 VanDerWaalsContact OG-O 3.07Å; V193-E214 HydrophobicContact CB-CB 4.21Å; V193-E214 PolarHBondContact N-O 3.49Å; V193-E214 PolarHBondContact O-N 3.15Å; H195-E214 IonicContact CD2-OE1 2.83Å; H195-E214 PolarHBondContact CD2-OE1 2.98Å; H195-E214 IonicContact NE2-OE1 2.91Å; H195-E214 PolarHBondContact NE2-OE1 3.41Å; M212-E214 HydrophobicContact CE-CG 3.65Å; M212-E214 WeakPolarHBondContact CE-OE1 3.5Å
215R96.9Very high79.7Confident127 Ų12762.7 Ų62.748%0.47936%0.357SS..EExtended strand (participates in β ladder)trans56.977.2-178.4-43.2179.6-174.782.96.3110.7G166 G168 S192 L217G166-R215 WeakPolarHBondContact O-CA 3.39Å; G166-R215 WeakPolarHBondContact O-CB 3.33Å; G168-R215 PolarHBondContact O-N 3.16Å; G168-R215 VanDerWaalsContact O-N 3.15Å; S192-R215 PolarHBondContact N-O 3.42Å; S192-R215 VanDerWaalsContact OG-CB 3.3Å; S192-R215 WeakPolarHBondContact OG-CB 3.28Å; R215-L217 PolarHBondContact O-N 3.46Å
216F97.9Very high77.5Confident4 Ų469.2 Ų69.22%0.01839%0.387CS..EExtended strand (participates in β ladder)trans-52.7126176.3175.4-133.3000111.4L160 L163 G166 G168 H190 F191 N218L160-F216 HydrophobicContact CB-CZ 4.37Å; L160-F216 HydrophobicContact CD2-CD2 4.18Å; L160-F216 HydrophobicContact CD2-CE2 3.44Å; L160-F216 VanDerWaalsContact CD2-CE2 3.44Å; L160-F216 HydrophobicContact CD2-CZ 4.1Å; L160-F216 WeakPolarHBondContact O-CZ 3.37Å; L163-F216 HydrophobicContact CB-CB 4.34Å; L163-F216 HydrophobicContact CB-CD1 3.76Å; L163-F216 HydrophobicContact CB-CE1 4.36Å; L163-F216 HydrophobicContact CB-CG 4.16Å; L163-F216 HydrophobicContact CD1-CB 4.5Å; L163-F216 WeakPolarHBondContact O-CD1 3.3Å; G166-F216 WeakPolarHBondContact CA-O 3.47Å; G166-F216 PolarHBondContact N-O 3.4Å; G168-F216 PolarHBondContact O-N 2.86Å; H190-F216 HydrophobicContact CB-CD2 4.42Å; H190-F216 HydrophobicContact CB-CE2 4.28Å; H190-F216 WeakPolarHBondContact O-CD2 3.34Å; F191-F216 HydrophobicContact CD1-CB 4.11Å; F191-F216 HydrophobicContact CE1-CB 3.72Å; F191-F216 HydrophobicContact CE1-CD2 4.25Å; F191-F216 HydrophobicContact CE1-CG 4.36Å; F191-F216 HydrophobicContact CZ-CB 4.39Å; F191-F216 HydrophobicContact CZ-CD2 4.14Å; F216-N218 HydrophobicContact CD1-CB 4.31Å; F216-N218 HydrophobicContact CE1-CB 3.84Å; F216-N218 HydrophobicContact CZ-CB 4.06Å
217L95Very high77.4Confident34 Ų3470.8 Ų70.818%0.17839%0.394CS..  trans-85.8-14.8-170.5-67.2175.2000114.2H190 R215 G219 S220 R222H190-L217 WeakPolarHBondContact O-CB 3.29Å; H190-L217 PolarHBondContact O-N 3.14Å; R215-L217 PolarHBondContact O-N 3.46Å; L217-G219 VanDerWaalsContact C-N 3.34Å; L217-G219 PolarHBondContact O-N 3.18Å; L217-S220 VanDerWaalsContact CB-O 3.28Å; L217-S220 WeakPolarHBondContact CB-O 3.46Å; L217-S220 WeakPolarHBondContact O-CB 3.34Å; L217-S220 PolarHBondContact O-N 2.64Å; L217-S220 PolarHBondContact O-OG 3.33Å; L217-S220 VanDerWaalsContact O-OG 3.05Å; L217-R222 HydrophobicContact CD1-CB 4.03Å
218N85.2Confident76.9Confident80 Ų8072.3 Ų72.343%0.42840%0.396SS..THydrogen-bonded Turntrans45.752.1-178.4-168.231.3000113.7P165 F216 S220P165-N218 HydrophobicContact CB-CB 3.62Å; P165-N218 HydrophobicContact CG-CB 3.73Å; P165-N218 WeakPolarHBondContact CG-ND2 3.26Å; F216-N218 HydrophobicContact CD1-CB 4.31Å; F216-N218 HydrophobicContact CE1-CB 3.84Å; F216-N218 HydrophobicContact CZ-CB 4.06Å; N218-S220 PolarHBondContact O-N 2.82Å
219G69.6Low76Confident69 Ų6975.8 Ų75.871%0.71142%0.416SS*.THydrogen-bonded Turntrans77.8-6.6-178.700000115.7L217 K221L217-G219 VanDerWaalsContact C-N 3.34Å; L217-G219 PolarHBondContact O-N 3.18Å; G219-K221 PolarHBondContact O-N 3.27Å; G219-K221 VanDerWaalsContact O-N 3.11Å
220S59.3Low74.8Confident79 Ų7979.4 Ų79.455%0.55244%0.436SS*.  trans-71.8102.2171.2-52.50000109L217 N218 R222L217-S220 VanDerWaalsContact CB-O 3.28Å; L217-S220 WeakPolarHBondContact CB-O 3.46Å; L217-S220 WeakPolarHBondContact O-CB 3.34Å; L217-S220 PolarHBondContact O-N 2.64Å; L217-S220 PolarHBondContact O-OG 3.33Å; L217-S220 VanDerWaalsContact O-OG 3.05Å; N218-S220 PolarHBondContact O-N 2.82Å; S220-R222 PolarHBondContact O-N 2.98Å
221K50.9Low73.3Confident193 Ų19384.3 Ų84.384%0.83946%0.463SS*.  trans-53.2138.6-179.1-76.6-175.7177.1179.30111.2G219 V223G219-K221 PolarHBondContact O-N 3.27Å; G219-K221 VanDerWaalsContact O-N 3.11Å; K221-V223 PolarHBondContact O-N 3.03Å
222R48.8Very low71.6Confident134 Ų13489.6 Ų89.651%0.50649%0.492SS..  trans-57.7111.7171.6-170.1174177.3177.7-0.9108.5S192 L217 S220 S224S192-R222 VanDerWaalsContact O-CZ 3.28Å; S192-R222 PolarHBondContact O-NE 2.98Å; S192-R222 PolarHBondContact O-NH2 2.89Å; L217-R222 HydrophobicContact CD1-CB 4.03Å; S220-R222 PolarHBondContact O-N 2.98Å; R222-S224 PolarHBondContact O-N 3.17Å; R222-S224 VanDerWaalsContact O-N 3.13Å
223V52.8Low69.7Low132 Ų13296 Ų9680%0.853%0.527SS*.  trans-62117165.9-175.90000105.4K221 A225K221-V223 PolarHBondContact O-N 3.03Å; V223-A225 PolarHBondContact O-N 2.84Å
224S45.4Very low67.5Low101 Ų101103.4 Ų103.471%0.70657%0.568SS**  trans-56.6108.7177.437.10000108.5R222 Q226R222-S224 PolarHBondContact O-N 3.17Å; R222-S224 VanDerWaalsContact O-N 3.13Å; S224-Q226 PolarHBondContact O-N 3.16Å
225A44.1Very low64.9Low94 Ų94109.2 Ų109.278%0.77760%0.602SS**  trans-63.9113.6162.900000106.3V223V223-A225 PolarHBondContact O-N 2.84Å
226Q33Very low62Low263 Ų263107.5 Ų107.5100%1.22961%0.613SS**  trans-62.80171.8-67.9179.5-66.500110.8S224S224-Q226 PolarHBondContact O-N 3.16Å

Retrieved 226 of 226 residues in 115.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).