A0AA82N7X6_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7X6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 127 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M61.3Low89.9Confident151 Ų151110 Ų11074%0.74452%0.524SS*.  0126.10-173.5164.363.700108.4M5 R6 L9M1-M5 HydrophobicContact CG-CB 3.64Å; M1-M5 HydrophobicContact CG-CE 4.11Å; M1-M5 HydrophobicContact SD-CB 4.36Å; M1-R6 HydrophobicContact CE-CB 3.63Å; M1-R6 HydrophobicContact CE-CG 3.58Å; M1-R6 HydrophobicContact SD-CB 4.47Å; M1-L9 HydrophobicContact CE-CD1 4.3Å; M1-L9 HydrophobicContact SD-CD1 3.33Å; M1-L9 WeakPolarHBondContact SD-CD1 3.14Å
2T87.5Confident90.4Very high80 Ų80107.5 Ų107.549%0.49152%0.515SS..  trans-65.5151.9177.958.70000110.2I4 M5 R6T2-I4 PolarHBondContact O-N 3.04Å; T2-M5 HydrophobicContact CG2-CE 4.2Å; T2-M5 PolarHBondContact O-N 3.34Å; T2-M5 VanDerWaalsContact O-N 3.07Å; T2-M5 WeakPolarHBondContact OG1-CG 3.32Å; T2-M5 PolarHBondContact OG1-N 3.04Å; T2-R6 PolarHBondContact O-N 3.11Å
3Y89.2Confident90.8Very high166 Ų166108 Ų10865%0.65152%0.521SS*.Hα-helixtrans-50.8-39.4175.8172.1-99.7000112.1R6 N7Y3-R6 PolarHBondContact O-N 3.06Å; Y3-N7 PolarHBondContact O-N 2.95Å
4I91.9Very high91.2Very high116 Ų116108.2 Ų108.260%0.59552%0.521SS*.Hα-helixtrans-61.7-50.6177.1-60.6172.3000111T2 R6 N7 I8T2-I4 PolarHBondContact O-N 3.04Å; I4-R6 VanDerWaalsContact C-N 3.32Å; I4-R6 PolarHBondContact O-N 3.06Å; I4-N7 PolarHBondContact O-N 2.96Å; I4-I8 HydrophobicContact CG2-CD1 3.8Å; I4-I8 HydrophobicContact CG2-CG1 4.5Å; I4-I8 WeakPolarHBondContact O-CG1 3.19Å; I4-I8 PolarHBondContact O-N 2Å
5M91.5Very high91.5Very high97 Ų97107.8 Ų107.848%0.47852%0.522SS..Hα-helixtrans-60.3-41.5177.9-75.6-168-65.200111.8M1 T2 N7 I8 L9M1-M5 HydrophobicContact CG-CB 3.64Å; M1-M5 HydrophobicContact CG-CE 4.11Å; M1-M5 HydrophobicContact SD-CB 4.36Å; T2-M5 HydrophobicContact CG2-CE 4.2Å; T2-M5 PolarHBondContact O-N 3.34Å; T2-M5 VanDerWaalsContact O-N 3.07Å; T2-M5 WeakPolarHBondContact OG1-CG 3.32Å; T2-M5 PolarHBondContact OG1-N 3.04Å; M5-N7 PolarHBondContact O-N 3.19Å; M5-I8 PolarHBondContact O-N 3.03Å; M5-L9 WeakPolarHBondContact O-CB 3.31Å; M5-L9 WeakPolarHBondContact O-CD1 3.46Å; M5-L9 WeakPolarHBondContact O-CG 3.41Å; M5-L9 PolarHBondContact O-N 3.09Å
6R91.5Very high91.8Very high141 Ų141108.8 Ų108.853%0.53252%0.523SS..Hα-helixtrans-60.3-44.9176.9-166.2171.175.5-170.33.8111.9M1 T2 Y3 I4 L9 I10M1-R6 HydrophobicContact CE-CB 3.63Å; M1-R6 HydrophobicContact CE-CG 3.58Å; M1-R6 HydrophobicContact SD-CB 4.47Å; T2-R6 PolarHBondContact O-N 3.11Å; Y3-R6 PolarHBondContact O-N 3.06Å; I4-R6 VanDerWaalsContact C-N 3.32Å; I4-R6 PolarHBondContact O-N 3.06Å; R6-L9 PolarHBondContact O-N 3.17Å; R6-I10 HydrophobicContact CG-CD1 4.12Å; R6-I10 VanDerWaalsContact O-CG1 3.3Å; R6-I10 WeakPolarHBondContact O-CG1 3.04Å; R6-I10 PolarHBondContact O-N 3.13Å
7N93.5Very high92Very high66 Ų66107.1 Ų107.135%0.35352%0.52SS..Hα-helixtrans-67.2-40.4-179.1-165.216.5000111.8Y3 I4 M5 I10 K11Y3-N7 PolarHBondContact O-N 2.95Å; I4-N7 PolarHBondContact O-N 2.96Å; M5-N7 PolarHBondContact O-N 3.19Å; N7-I10 PolarHBondContact O-N 3.29Å; N7-K11 WeakPolarHBondContact O-CG 3.44Å; N7-K11 PolarHBondContact O-N 3.05Å
8I95.6Very high92.1Very high93 Ų93106 Ų10648%0.47752%0.517SS..Hα-helixtrans-61.2-47.1174.8-68.6169.2000110.5I4 M5 I10 K11 I12I4-I8 HydrophobicContact CG2-CD1 3.8Å; I4-I8 HydrophobicContact CG2-CG1 4.5Å; I4-I8 WeakPolarHBondContact O-CG1 3.19Å; I4-I8 PolarHBondContact O-N 2Å; M5-I8 PolarHBondContact O-N 3.03Å; I8-I10 VanDerWaalsContact C-N 3.35Å; I8-I10 PolarHBondContact O-N 3.46Å; I8-K11 PolarHBondContact O-N 3.26Å; I8-I12 HydrophobicContact CG2-CD1 3.64Å; I8-I12 HydrophobicContact CG2-CG1 4.32Å; I8-I12 VanDerWaalsContact O-CG1 3.29Å; I8-I12 WeakPolarHBondContact O-CG1 3.34Å; I8-I12 PolarHBondContact O-N 2.87Å
9L95Very high92.2Very high92 Ų92104.2 Ų104.248%0.48251%0.509SS..Hα-helixtrans-59.6-42.5177.5-82155.7000112.5M1 M5 R6 I12 L13M1-L9 HydrophobicContact CE-CD1 4.3Å; M1-L9 HydrophobicContact SD-CD1 3.33Å; M1-L9 WeakPolarHBondContact SD-CD1 3.14Å; M5-L9 WeakPolarHBondContact O-CB 3.31Å; M5-L9 WeakPolarHBondContact O-CD1 3.46Å; M5-L9 WeakPolarHBondContact O-CG 3.41Å; M5-L9 PolarHBondContact O-N 3.09Å; R6-L9 PolarHBondContact O-N 3.17Å; L9-I12 PolarHBondContact O-N 3.43Å; L9-L13 WeakPolarHBondContact O-CB 3.11Å; L9-L13 PolarHBondContact O-N 2.99Å
10I95.3Very high92.1Very high76 Ų76103.5 Ų103.539%0.3950%0.504SS..Hα-helixtrans-62.2-45.4176.3-69.1165.1000110.8R6 N7 I8 I12 L13 Q14R6-I10 HydrophobicContact CG-CD1 4.12Å; R6-I10 VanDerWaalsContact O-CG1 3.3Å; R6-I10 WeakPolarHBondContact O-CG1 3.04Å; R6-I10 PolarHBondContact O-N 3.13Å; N7-I10 PolarHBondContact O-N 3.29Å; I8-I10 VanDerWaalsContact C-N 3.35Å; I8-I10 PolarHBondContact O-N 3.46Å; I10-I12 PolarHBondContact O-N 2.77Å; I10-L13 PolarHBondContact O-N 3.47Å; I10-Q14 HydrophobicContact CG2-CG 4.4Å; I10-Q14 WeakPolarHBondContact O-CB 3.12Å; I10-Q14 VanDerWaalsContact O-CG 3.3Å; I10-Q14 WeakPolarHBondContact O-CG 3.28Å; I10-Q14 PolarHBondContact O-N 3.34Å
11K96.2Very high92.1Very high132 Ų132102.9 Ų102.957%0.57450%0.503SS*.Hα-helixtrans-64.9-40178.9-73.8-168.3175.4-165.80112.6N7 I8 Q14 L15N7-K11 WeakPolarHBondContact O-CG 3.44Å; N7-K11 PolarHBondContact O-N 3.05Å; I8-K11 PolarHBondContact O-N 3.26Å; K11-Q14 PolarHBondContact O-N 3.2Å; K11-L15 WeakPolarHBondContact O-CB 3.41Å; K11-L15 PolarHBondContact O-N 3.17Å
12I96.2Very high93.2Very high80 Ų80101.6 Ų101.641%0.4149%0.493SS..Hα-helixtrans-62-46.9174.7-70.9171.1000109.7I8 L9 I10 Q14 L15 F16I8-I12 HydrophobicContact CG2-CD1 3.64Å; I8-I12 HydrophobicContact CG2-CG1 4.32Å; I8-I12 VanDerWaalsContact O-CG1 3.29Å; I8-I12 WeakPolarHBondContact O-CG1 3.34Å; I8-I12 PolarHBondContact O-N 2.87Å; L9-I12 PolarHBondContact O-N 3.43Å; I10-I12 PolarHBondContact O-N 2.77Å; I12-Q14 PolarHBondContact O-N 3.04Å; I12-L15 PolarHBondContact O-N 3.29Å; I12-F16 HydrophobicContact CG2-CD2 3.61Å; I12-F16 HydrophobicContact CG2-CE2 3.43Å; I12-F16 VanDerWaalsContact CG2-CE2 3.43Å; I12-F16 WeakPolarHBondContact O-CD2 3.24Å; I12-F16 PolarHBondContact O-N 3.38Å
13L95.5Very high93.1Very high114 Ų114101.3 Ų101.360%0.59749%0.488SS*.Hα-helixtrans-60.2-44.3177-177.465.3000112L9 I10 L15 F16 V17L9-L13 WeakPolarHBondContact O-CB 3.11Å; L9-L13 PolarHBondContact O-N 2.99Å; I10-L13 PolarHBondContact O-N 3.47Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L13-L15 PolarHBondContact O-N 3.03Å; L13-F16 PolarHBondContact O-N 3.19Å; L13-V17 WeakPolarHBondContact O-CG2 3.47Å; L13-V17 PolarHBondContact O-N 2.93Å
14Q95.9Very high92.6Very high111 Ų11199 Ų9952%0.51948%0.483SS..Hα-helixtrans-59.8-44.5175.4-75.1173.8-24.900111.8I10 K11 I12 F16 V17 I18I10-Q14 HydrophobicContact CG2-CG 4.4Å; I10-Q14 WeakPolarHBondContact O-CB 3.12Å; I10-Q14 VanDerWaalsContact O-CG 3.3Å; I10-Q14 WeakPolarHBondContact O-CG 3.28Å; I10-Q14 PolarHBondContact O-N 3.34Å; K11-Q14 PolarHBondContact O-N 3.2Å; I12-Q14 PolarHBondContact O-N 3.04Å; Q14-F16 PolarHBondContact O-N 2.8Å; Q14-V17 PolarHBondContact O-N 3.2Å; Q14-I18 VanDerWaalsContact O-CG1 3.25Å; Q14-I18 WeakPolarHBondContact O-CG1 3.41Å; Q14-I18 PolarHBondContact O-N 3.25Å
15L96.3Very high91.9Very high102 Ų10297.8 Ų97.853%0.53448%0.477SS..Hα-helixtrans-61-44.5176.9179.762.5000111.5K11 I12 L13 I18 I19K11-L15 WeakPolarHBondContact O-CB 3.41Å; K11-L15 PolarHBondContact O-N 3.17Å; I12-L15 PolarHBondContact O-N 3.29Å; L13-L15 VanDerWaalsContact C-N 3.35Å; L13-L15 PolarHBondContact O-N 3.03Å; L15-I18 PolarHBondContact O-N 2.93Å; L15-I19 HydrophobicContact CD1-CD1 4.02Å; L15-I19 HydrophobicContact CD1-CG1 4.32Å; L15-I19 HydrophobicContact CG-CD1 3.85Å; L15-I19 VanDerWaalsContact O-CG1 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.34Å; L15-I19 PolarHBondContact O-N 2.93Å
16F95.6Very high90.9Very high124 Ų12496.5 Ų96.554%0.54447%0.472SS..Hα-helixtrans-60.6-47176.3-84.6-68.2000112.2I12 L13 Q14 I18 I19 E20I12-F16 HydrophobicContact CG2-CD2 3.61Å; I12-F16 HydrophobicContact CG2-CE2 3.43Å; I12-F16 VanDerWaalsContact CG2-CE2 3.43Å; I12-F16 WeakPolarHBondContact O-CD2 3.24Å; I12-F16 PolarHBondContact O-N 3.38Å; L13-F16 PolarHBondContact O-N 3.19Å; Q14-F16 PolarHBondContact O-N 2.8Å; F16-I18 VanDerWaalsContact C-N 3.29Å; F16-I18 PolarHBondContact O-N 3.46Å; F16-I19 PolarHBondContact O-N 3.34Å; F16-E20 WeakPolarHBondContact O-CG 3.27Å; F16-E20 PolarHBondContact O-N 3.14Å
17V95.2Very high89.8Confident79 Ų7994.7 Ų94.748%0.47947%0.472SS..Hα-helixtrans-59.3-42.6177.6171.90000111.2L13 Q14 E20 I21L13-V17 WeakPolarHBondContact O-CG2 3.47Å; L13-V17 PolarHBondContact O-N 2.93Å; Q14-V17 PolarHBondContact O-N 3.2Å; V17-E20 PolarHBondContact O-N 3.34Å; V17-I21 HydrophobicContact CG1-CD1 3.9Å; V17-I21 WeakPolarHBondContact O-CD1 3.27Å; V17-I21 VanDerWaalsContact O-CG1 3.25Å; V17-I21 WeakPolarHBondContact O-CG1 3.32Å; V17-I21 PolarHBondContact O-N 3.44Å
18I95.2Very high88.4Confident88 Ų8898.1 Ų98.145%0.45148%0.481SS..Hα-helixtrans-62.5-46.1177-69.4166.5000110.6Q14 L15 F16 I21 F22Q14-I18 VanDerWaalsContact O-CG1 3.25Å; Q14-I18 WeakPolarHBondContact O-CG1 3.41Å; Q14-I18 PolarHBondContact O-N 3.25Å; L15-I18 PolarHBondContact O-N 2.93Å; F16-I18 VanDerWaalsContact C-N 3.29Å; F16-I18 PolarHBondContact O-N 3.46Å; I18-I21 PolarHBondContact O-N 3.35Å; I18-F22 HydrophobicContact CG2-CD2 3.63Å; I18-F22 HydrophobicContact CG2-CE2 3.43Å; I18-F22 VanDerWaalsContact CG2-CE2 3.43Å; I18-F22 WeakPolarHBondContact O-CD2 3.43Å; I18-F22 PolarHBondContact O-N 2.91Å
19I94.2Very high86.7Confident71 Ų7195.3 Ų95.336%0.36447%0.466SS..Hα-helixtrans-61-46.3178.4-71.1168.6000111L15 F16 I21 F22 I23L15-I19 HydrophobicContact CD1-CD1 4.02Å; L15-I19 HydrophobicContact CD1-CG1 4.32Å; L15-I19 HydrophobicContact CG-CD1 3.85Å; L15-I19 VanDerWaalsContact O-CG1 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.34Å; L15-I19 PolarHBondContact O-N 2.93Å; F16-I19 PolarHBondContact O-N 3.34Å; I19-I21 VanDerWaalsContact C-N 3.34Å; I19-I21 PolarHBondContact O-N 3.24Å; I19-F22 WeakPolarHBondContact O-CB 3.23Å; I19-F22 PolarHBondContact O-N 3.21Å; I19-F22 VanDerWaalsContact O-N 3.15Å; I19-I23 HydrophobicContact CG2-CD1 3.66Å; I19-I23 HydrophobicContact CG2-CG1 4.27Å; I19-I23 WeakPolarHBondContact O-CG1 3.24Å; I19-I23 PolarHBondContact O-N 2.71Å
20E89.9Confident85Confident91 Ų9194.7 Ų94.743%0.42547%0.466SS..Hα-helixtrans-60.4-42.8177.8-71.9-61.4147.200111.7F16 V17 F22 I23 H24F16-E20 WeakPolarHBondContact O-CG 3.27Å; F16-E20 PolarHBondContact O-N 3.14Å; V17-E20 PolarHBondContact O-N 3.34Å; E20-F22 VanDerWaalsContact C-N 3.33Å; E20-F22 PolarHBondContact O-N 2.8Å; E20-I23 PolarHBondContact O-N 3.02Å; E20-H24 WeakPolarHBondContact O-CB 3.5Å; E20-H24 PolarHBondContact O-CD2 2.86Å; E20-H24 PolarHBondContact O-N 2.74Å; E20-H24 IonicContact OE2-NE2 3.85Å
21I90.5Very high83.2Confident91 Ų9193.1 Ų93.147%0.46746%0.464SS..Hα-helixtrans-59.3-46.1174.5-69.5165.3000110.5V17 I18 I19 I23 H24 L25V17-I21 HydrophobicContact CG1-CD1 3.9Å; V17-I21 WeakPolarHBondContact O-CD1 3.27Å; V17-I21 VanDerWaalsContact O-CG1 3.25Å; V17-I21 WeakPolarHBondContact O-CG1 3.32Å; V17-I21 PolarHBondContact O-N 3.44Å; I18-I21 PolarHBondContact O-N 3.35Å; I19-I21 VanDerWaalsContact C-N 3.34Å; I19-I21 PolarHBondContact O-N 3.24Å; I21-I23 PolarHBondContact O-N 3.37Å; I21-H24 PolarHBondContact O-N 3.32Å; I21-L25 HydrophobicContact CG2-CD1 3.87Å; I21-L25 HydrophobicContact CG2-CG 4.39Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 VanDerWaalsContact O-CG 3.28Å; I21-L25 WeakPolarHBondContact O-CG 3.24Å; I21-L25 PolarHBondContact O-N 3.42Å
22F86.3Confident81.2Confident124 Ų12488.2 Ų88.254%0.54445%0.445SS..Hα-helixtrans-62.2-42.5176.6-82.2-67000112.2I18 I19 E20 L25 N26I18-F22 HydrophobicContact CG2-CD2 3.63Å; I18-F22 HydrophobicContact CG2-CE2 3.43Å; I18-F22 VanDerWaalsContact CG2-CE2 3.43Å; I18-F22 WeakPolarHBondContact O-CD2 3.43Å; I18-F22 PolarHBondContact O-N 2.91Å; I19-F22 WeakPolarHBondContact O-CB 3.23Å; I19-F22 PolarHBondContact O-N 3.21Å; I19-F22 VanDerWaalsContact O-N 3.15Å; E20-F22 VanDerWaalsContact C-N 3.33Å; E20-F22 PolarHBondContact O-N 2.8Å; F22-L25 PolarHBondContact O-N 3.21Å; F22-N26 WeakPolarHBondContact O-CB 3.47Å; F22-N26 PolarHBondContact O-N 3.5Å; F22-N26 PolarHBondContact O-ND2 2.93Å
23I83.7Confident79.2Confident73 Ų7386.2 Ų86.237%0.37443%0.434SS..Hα-helixtrans-62.6-47.8177.7-69.6169.2000110.2I19 E20 I21 L25 N26 I27I19-I23 HydrophobicContact CG2-CD1 3.66Å; I19-I23 HydrophobicContact CG2-CG1 4.27Å; I19-I23 WeakPolarHBondContact O-CG1 3.24Å; I19-I23 PolarHBondContact O-N 2.71Å; E20-I23 PolarHBondContact O-N 3.02Å; I21-I23 PolarHBondContact O-N 3.37Å; I23-L25 PolarHBondContact O-N 3.08Å; I23-N26 PolarHBondContact O-N 2.65Å; I23-I27 HydrophobicContact CG2-CD1 3.56Å; I23-I27 HydrophobicContact CG2-CG1 4.22Å; I23-I27 WeakPolarHBondContact O-CB 3.15Å; I23-I27 VanDerWaalsContact O-CG1 3.3Å; I23-I27 WeakPolarHBondContact O-CG1 3.23Å; I23-I27 PolarHBondContact O-N 2.03Å
24H79.8Confident77.1Confident118 Ų11884 Ų8455%0.54643%0.425SS..Hα-helixtrans-62.4-42.8178.9-77.3-58.8000112.7E20 I21 I27 Y28E20-H24 WeakPolarHBondContact O-CB 3.5Å; E20-H24 PolarHBondContact O-CD2 2.86Å; E20-H24 PolarHBondContact O-N 2.74Å; E20-H24 IonicContact OE2-NE2 3.85Å; I21-H24 PolarHBondContact O-N 3.32Å; H24-I27 PolarHBondContact O-N 3.35Å; H24-Y28 VanDerWaalsContact O-CB 3.26Å; H24-Y28 WeakPolarHBondContact O-CB 3.45Å; H24-Y28 PolarHBondContact O-N 2.88Å
25L76.2Confident74.9Confident90 Ų9081 Ų8147%0.47142%0.419SS..Hα-helixtrans-60.7-46.5174.4-72.3171.4000110.8I21 F22 I23 I27 Y28 Q29I21-L25 HydrophobicContact CG2-CD1 3.87Å; I21-L25 HydrophobicContact CG2-CG 4.39Å; I21-L25 WeakPolarHBondContact O-CB 3.33Å; I21-L25 VanDerWaalsContact O-CG 3.28Å; I21-L25 WeakPolarHBondContact O-CG 3.24Å; I21-L25 PolarHBondContact O-N 3.42Å; F22-L25 PolarHBondContact O-N 3.21Å; I23-L25 PolarHBondContact O-N 3.08Å; L25-I27 PolarHBondContact O-N 3Å; L25-Y28 PolarHBondContact O-N 3.14Å; L25-Q29 VanDerWaalsContact O-CB 3.26Å; L25-Q29 WeakPolarHBondContact O-CB 3.04Å; L25-Q29 WeakPolarHBondContact O-CG 3.12Å; L25-Q29 PolarHBondContact O-N 3.13Å; L25-Q29 PolarHBondContact O-OE1 3.41Å
26N71.4Confident72.8Confident71 Ų7176.5 Ų76.538%0.3840%0.396SS..Hα-helixtrans-64.7-39.8178.5-83.5-81.9000112.9F22 I23 T30F22-N26 WeakPolarHBondContact O-CB 3.47Å; F22-N26 PolarHBondContact O-N 3.5Å; F22-N26 PolarHBondContact O-ND2 2.93Å; I23-N26 PolarHBondContact O-N 2.65Å; N26-T30 WeakPolarHBondContact O-CB 3.47Å; N26-T30 PolarHBondContact O-N 3.41Å; N26-T30 PolarHBondContact O-OG1 2.66Å
27I67.3Low70.8Confident102 Ų10274 Ų7452%0.52339%0.388SS..Hα-helixtrans-68.1-48.6177.4-69.4171.7000110.2I23 H24 L25 Q29 T30 A31I23-I27 HydrophobicContact CG2-CD1 3.56Å; I23-I27 HydrophobicContact CG2-CG1 4.22Å; I23-I27 WeakPolarHBondContact O-CB 3.15Å; I23-I27 VanDerWaalsContact O-CG1 3.3Å; I23-I27 WeakPolarHBondContact O-CG1 3.23Å; I23-I27 PolarHBondContact O-N 2.03Å; H24-I27 PolarHBondContact O-N 3.35Å; L25-I27 PolarHBondContact O-N 3Å; I27-Q29 PolarHBondContact O-N 3.47Å; I27-T30 PolarHBondContact O-N 2.94Å; I27-A31 VanDerWaalsContact O-CB 3.31Å; I27-A31 WeakPolarHBondContact O-CB 2.94Å; I27-A31 PolarHBondContact O-N 2.74Å
28Y64.9Low68.7Low138 Ų13877 Ų7754%0.54140%0.396SS..Hα-helixtrans-57.7-42.3177.1-179.1-99.1000110.6H24 L25 A31 V32H24-Y28 VanDerWaalsContact O-CB 3.26Å; H24-Y28 WeakPolarHBondContact O-CB 3.45Å; H24-Y28 PolarHBondContact O-N 2.88Å; L25-Y28 PolarHBondContact O-N 3.14Å; Y28-A31 PolarHBondContact O-N 3.36Å; Y28-V32 HydrophobicContact CD1-CG2 4.12Å; Y28-V32 HydrophobicContact CE1-CG2 3.76Å; Y28-V32 HydrophobicContact CE2-CG2 4.29Å; Y28-V32 WeakPolarHBondContact O-CB 3.45Å; Y28-V32 VanDerWaalsContact O-CG2 3.25Å; Y28-V32 WeakPolarHBondContact O-CG2 3.36Å; Y28-V32 PolarHBondContact O-N 3.07Å
29Q60.2Low66.7Low35 Ų3575.5 Ų75.516%0.16439%0.392CS..Hα-helixtrans-65.3-48.4175.8-73.9171.5-38.500112.1L25 I27 A31 V32 H33 Y88 M90L25-Q29 VanDerWaalsContact O-CB 3.26Å; L25-Q29 WeakPolarHBondContact O-CB 3.04Å; L25-Q29 WeakPolarHBondContact O-CG 3.12Å; L25-Q29 PolarHBondContact O-N 3.13Å; L25-Q29 PolarHBondContact O-OE1 3.41Å; I27-Q29 PolarHBondContact O-N 3.47Å; Q29-A31 VanDerWaalsContact C-N 3.27Å; Q29-A31 PolarHBondContact O-N 2.89Å; Q29-V32 PolarHBondContact O-N 2.99Å; Q29-V32 VanDerWaalsContact O-N 3.13Å; Q29-H33 WeakPolarHBondContact O-CB 3.49Å; Q29-H33 PolarHBondContact O-CD2 3.13Å; Q29-H33 PolarHBondContact O-N 3.29Å; Q29-H33 PolarHBondContact O-NE2 3.05Å; Q29-Y88 PolarHBondContact NE2-OH 3.48Å; Q29-M90 PolarHBondContact NE2-SD 3.3Å; Q29-M90 PolarHBondContact OE1-SD 3.1Å; Q29-M90 VanDerWaalsContact OE1-SD 3.41Å
30T58.1Low64.9Low79 Ų7972.3 Ų72.349%0.48538%0.375SS..Hα-helixtrans-56.9-46.1176.6-570000109.7N26 I27 H33 T34N26-T30 WeakPolarHBondContact O-CB 3.47Å; N26-T30 PolarHBondContact O-N 3.41Å; N26-T30 PolarHBondContact O-OG1 2.66Å; I27-T30 PolarHBondContact O-N 2.94Å; T30-H33 CarbonylContact O-C 3.53Å; T30-H33 PolarHBondContact O-N 3.12Å; T30-H33 VanDerWaalsContact O-N 3.17Å; T30-T34 HydrophobicContact CG2-CG2 4.02Å; T30-T34 WeakPolarHBondContact O-CB 3.34Å; T30-T34 VanDerWaalsContact O-CG2 3.29Å; T30-T34 WeakPolarHBondContact O-CG2 3.19Å; T30-T34 PolarHBondContact O-N 3.45Å; T30-T34 PolarHBondContact O-OG1 3.46Å
31A57.5Low63.3Low42 Ų4272.5 Ų72.535%0.34738%0.383SS..Hα-helixtrans-61.1-47.5174.700000111.4I27 Y28 Q29 H33 T34 A35I27-A31 VanDerWaalsContact O-CB 3.31Å; I27-A31 WeakPolarHBondContact O-CB 2.94Å; I27-A31 PolarHBondContact O-N 2.74Å; Y28-A31 PolarHBondContact O-N 3.36Å; Q29-A31 VanDerWaalsContact C-N 3.27Å; Q29-A31 PolarHBondContact O-N 2.89Å; A31-H33 PolarHBondContact O-N 3.15Å; A31-T34 PolarHBondContact O-N 3.44Å; A31-A35 VanDerWaalsContact O-CA 3.29Å; A31-A35 WeakPolarHBondContact O-CA 3.22Å; A31-A35 WeakPolarHBondContact O-CB 3.22Å; A31-A35 PolarHBondContact O-N 3.03Å
32V54.3Low61.8Low30 Ų3074.2 Ų74.218%0.18239%0.393CS..Hα-helixtrans-62.2-29.1176.2170.90000112.2Y28 Q29 P36 F109Y28-V32 HydrophobicContact CD1-CG2 4.12Å; Y28-V32 HydrophobicContact CE1-CG2 3.76Å; Y28-V32 HydrophobicContact CE2-CG2 4.29Å; Y28-V32 WeakPolarHBondContact O-CB 3.45Å; Y28-V32 VanDerWaalsContact O-CG2 3.25Å; Y28-V32 WeakPolarHBondContact O-CG2 3.36Å; Y28-V32 PolarHBondContact O-N 3.07Å; Q29-V32 PolarHBondContact O-N 2.99Å; Q29-V32 VanDerWaalsContact O-N 3.13Å; V32-P36 VanDerWaalsContact O-CD 3.22Å; V32-P36 WeakPolarHBondContact O-CD 2.98Å; V32-P36 WeakPolarHBondContact O-CG 3.48Å; V32-F109 HydrophobicContact CG1-CD1 4.5Å; V32-F109 HydrophobicContact CG1-CE1 3.94Å; V32-F109 HydrophobicContact CG1-CZ 4.47Å
33H54.7Low60.4Low37 Ų3773.2 Ų73.217%0.17139%0.393CS..Hα-helixtrans-82.9-30.9177.3-61.7-33.7000113.6Q29 T30 A31 F116Q29-H33 WeakPolarHBondContact O-CB 3.49Å; Q29-H33 PolarHBondContact O-CD2 3.13Å; Q29-H33 PolarHBondContact O-N 3.29Å; Q29-H33 PolarHBondContact O-NE2 3.05Å; T30-H33 CarbonylContact O-C 3.53Å; T30-H33 PolarHBondContact O-N 3.12Å; T30-H33 VanDerWaalsContact O-N 3.17Å; A31-H33 PolarHBondContact O-N 3.15Å; H33-F116 AromaticContact CE1-CD1 3.63Å; H33-F116 AromaticContact CE1-CE1 2.98Å; H33-F116 WeakPolarHBondContact CE1-CE1 3.42Å; H33-F116 AromaticContact CE1-CZ 3.28Å; H33-F116 WeakPolarHBondContact CE1-CZ 3.05Å; H33-F116 AromaticContact ND1-CD1 3.88Å; H33-F116 AromaticContact ND1-CE1 3.67Å; H33-F116 AromaticContact ND1-CZ 3.97Å; H33-F116 AromaticContact NE2-CE1 3.77Å
34T52Low59.4Low67 Ų6775.4 Ų75.441%0.41141%0.406SS..Hα-helixtrans-102.7-37.5-177.163.20000113.6T30 A31 P36 I37T30-T34 HydrophobicContact CG2-CG2 4.02Å; T30-T34 WeakPolarHBondContact O-CB 3.34Å; T30-T34 VanDerWaalsContact O-CG2 3.29Å; T30-T34 WeakPolarHBondContact O-CG2 3.19Å; T30-T34 PolarHBondContact O-N 3.45Å; T30-T34 PolarHBondContact O-OG1 3.46Å; A31-T34 PolarHBondContact O-N 3.44Å; T34-P36 WeakPolarHBondContact O-CD 3.06Å; T34-P36 VanDerWaalsContact O-N 3.11Å; T34-I37 WeakPolarHBondContact O-CB 3.32Å; T34-I37 WeakPolarHBondContact O-CD1 3.37Å; T34-I37 WeakPolarHBondContact O-CG1 2.98Å; T34-I37 PolarHBondContact O-N 3.28Å
35A50Low58.7Low49 Ų4970.2 Ų70.241%0.40538%0.382SS..THydrogen-bonded Turntrans-54.7-22.4175.900000115.8A31 I37 E38A31-A35 VanDerWaalsContact O-CA 3.29Å; A31-A35 WeakPolarHBondContact O-CA 3.22Å; A31-A35 WeakPolarHBondContact O-CB 3.22Å; A31-A35 PolarHBondContact O-N 3.03Å; A35-I37 PolarHBondContact O-N 3.4Å; A35-E38 PolarHBondContact O-N 2.92Å
36P51.4Low58.6Low7 Ų771.2 Ų71.25%0.04538%0.383CS..Hα-helixtrans-54.4-16.8166.2-26.937.7000112.7V32 T34 E38 T39 Y40 Y64V32-P36 VanDerWaalsContact O-CD 3.22Å; V32-P36 WeakPolarHBondContact O-CD 2.98Å; V32-P36 WeakPolarHBondContact O-CG 3.48Å; T34-P36 WeakPolarHBondContact O-CD 3.06Å; T34-P36 VanDerWaalsContact O-N 3.11Å; P36-E38 VanDerWaalsContact C-N 3.31Å; P36-E38 PolarHBondContact O-N 2.85Å; P36-T39 CarbonylContact O-C 3.49Å; P36-T39 PolarHBondContact O-N 2.84Å; P36-Y40 VanDerWaalsContact C-CE2 3.5Å; P36-Y40 HydrophobicContact CB-CD2 4.38Å; P36-Y40 HydrophobicContact CB-CE1 4.32Å; P36-Y40 HydrophobicContact CB-CE2 3.64Å; P36-Y40 WeakPolarHBondContact O-CB 3.45Å; P36-Y40 WeakPolarHBondContact O-CD2 3.48Å; P36-Y40 WeakPolarHBondContact O-CE2 3.4Å; P36-Y40 PolarHBondContact O-N 2.96Å; P36-Y64 HydrophobicContact CB-CE2 4.01Å; P36-Y64 WeakPolarHBondContact CB-OH 3.33Å; P36-Y64 WeakPolarHBondContact CG-OH 3.15Å
37I53.2Low59.1Low73 Ų7367.8 Ų67.837%0.37436%0.364SS..Hα-helixtrans-50.1-45.7167.7-70.4163.1000112.6T34 A35 Y40 T41 P121T34-I37 WeakPolarHBondContact O-CB 3.32Å; T34-I37 WeakPolarHBondContact O-CD1 3.37Å; T34-I37 WeakPolarHBondContact O-CG1 2.98Å; T34-I37 PolarHBondContact O-N 3.28Å; A35-I37 PolarHBondContact O-N 3.4Å; I37-Y40 PolarHBondContact O-N 2.95Å; I37-T41 WeakPolarHBondContact O-CB 3.37Å; I37-T41 PolarHBondContact O-N 3.47Å; I37-T41 PolarHBondContact O-OG1 2.94Å; I37-P121 HydrophobicContact CD1-CG 4.25Å; I37-P121 HydrophobicContact CG1-CB 4.31Å; I37-P121 HydrophobicContact CG1-CG 3.68Å
38E53Low60.2Low140 Ų14064 Ų6465%0.65435%0.347SS*.Hα-helixtrans-70.2-43.9179.5-71.4-173-179.900111A35 P36 Y40 T41 N42A35-E38 PolarHBondContact O-N 2.92Å; P36-E38 VanDerWaalsContact C-N 3.31Å; P36-E38 PolarHBondContact O-N 2.85Å; E38-Y40 VanDerWaalsContact C-N 3.26Å; E38-Y40 PolarHBondContact O-N 3.1Å; E38-T41 PolarHBondContact O-N 3.4Å; E38-T41 VanDerWaalsContact O-N 3.14Å; E38-N42 WeakPolarHBondContact O-CB 3.35Å; E38-N42 PolarHBondContact O-N 3.02Å; E38-N42 PolarHBondContact O-ND2 3.11Å
39T53.2Low61.4Low58 Ų5864 Ų6436%0.35635%0.35SS..Hα-helixtrans-57.3-41173.1-45.10000110.9P36 T41 D43 T62P36-T39 CarbonylContact O-C 3.49Å; P36-T39 PolarHBondContact O-N 2.84Å; T39-T41 VanDerWaalsContact C-N 3.33Å; T39-T41 PolarHBondContact O-N 2.93Å; T39-D43 WeakPolarHBondContact CG2-OD2 3.4Å; T39-D43 VanDerWaalsContact O-CB 3.23Å; T39-D43 WeakPolarHBondContact O-CB 3.41Å; T39-D43 PolarHBondContact O-N 3.19Å; T39-T62 HydrophobicContact CG2-CG2 4.21Å
40Y55.5Low63Low4 Ų464.3 Ų64.32%0.01636%0.355CS..Hα-helixtrans-65.4-38.4177.8-60.3-44000113.3P36 I37 E38 D44 V45 F47 Y64 R105 P121 H124P36-Y40 VanDerWaalsContact C-CE2 3.5Å; P36-Y40 HydrophobicContact CB-CD2 4.38Å; P36-Y40 HydrophobicContact CB-CE1 4.32Å; P36-Y40 HydrophobicContact CB-CE2 3.64Å; P36-Y40 WeakPolarHBondContact O-CB 3.45Å; P36-Y40 WeakPolarHBondContact O-CD2 3.48Å; P36-Y40 WeakPolarHBondContact O-CE2 3.4Å; P36-Y40 PolarHBondContact O-N 2.96Å; I37-Y40 PolarHBondContact O-N 2.95Å; E38-Y40 VanDerWaalsContact C-N 3.26Å; E38-Y40 PolarHBondContact O-N 3.1Å; Y40-D44 PolarHBondContact O-N 2.03Å; Y40-V45 HydrophobicContact CD1-CB 3.68Å; Y40-V45 HydrophobicContact CD1-CG1 3.54Å; Y40-V45 HydrophobicContact CD1-CG2 4.23Å; Y40-V45 HydrophobicContact CE1-CG1 3.91Å; Y40-V45 PolarHBondContact O-N 3.45Å; Y40-F47 HydrophobicContact CD1-CE2 4.12Å; Y40-F47 AromaticContact CE1-CE2 3.69Å; Y40-F47 HydrophobicContact CE1-CE2 3.69Å; Y40-F47 AromaticContact CE1-CZ 3.71Å; Y40-F47 HydrophobicContact CE1-CZ 3.71Å; Y40-Y64 AromaticContact CE1-CD2 3.71Å; Y40-Y64 HydrophobicContact CE1-CD2 3.71Å; Y40-Y64 AromaticContact CE1-CE2 3.59Å; Y40-Y64 HydrophobicContact CE1-CE2 3.59Å; Y40-Y64 HydrophobicContact CE1-CG 4.38Å; Y40-Y64 AromaticContact CZ-CE2 3.68Å; Y40-Y64 AromaticContact CZ-CZ 3.74Å; Y40-Y64 WeakPolarHBondContact OH-CE1 3.47Å; Y40-Y64 WeakPolarHBondContact OH-CE2 3.03Å; Y40-Y64 PolarHBondContact OH-OH 3.44Å; Y40-R105 WeakPolarHBondContact OH-CD 3.39Å; Y40-R105 PolarHBondContact OH-NE 2.03Å; Y40-P121 HydrophobicContact CD2-CG 4.5Å; Y40-H124 VanDerWaalsContact CB-CE1 3.42Å; Y40-H124 WeakPolarHBondContact CB-CE1 3.44Å; Y40-H124 WeakPolarHBondContact CB-NE2 3.32Å; Y40-H124 AromaticContact CD2-NE2 3.55Å; Y40-H124 AromaticContact CG-CE1 3.99Å; Y40-H124 AromaticContact CG-NE2 3.78Å
41T56.6Low64.8Low95 Ų9560.8 Ų60.858%0.58333%0.333SS*.Hα-helixtrans-74-38.5-176.5-51.60000110.5I37 E38 T39I37-T41 WeakPolarHBondContact O-CB 3.37Å; I37-T41 PolarHBondContact O-N 3.47Å; I37-T41 PolarHBondContact O-OG1 2.94Å; E38-T41 PolarHBondContact O-N 3.4Å; E38-T41 VanDerWaalsContact O-N 3.14Å; T39-T41 VanDerWaalsContact C-N 3.33Å; T39-T41 PolarHBondContact O-N 2.93Å
42N58.4Low66.6Low126 Ų12662.4 Ų62.467%0.67434%0.34SS*.Hα-helixtrans-82.9-34.2-177.8-67.1-22.7000113.1E38E38-N42 WeakPolarHBondContact O-CB 3.35Å; E38-N42 PolarHBondContact O-N 3.02Å; E38-N42 PolarHBondContact O-ND2 3.11Å
43D57.3Low68.6Low103 Ų10367.5 Ų67.555%0.55136%0.362SS*.THydrogen-bonded Turntrans-96.811.8-175.1-62-24.8000113.2T39 V45T39-D43 WeakPolarHBondContact CG2-OD2 3.4Å; T39-D43 VanDerWaalsContact O-CB 3.23Å; T39-D43 WeakPolarHBondContact O-CB 3.41Å; T39-D43 PolarHBondContact O-N 3.19Å; D43-V45 HydrophobicContact CB-CG2 3.85Å; D43-V45 PolarHBondContact O-N 2.82Å
44D61.9Low70.5Confident120 Ų12071 Ų7164%0.64238%0.378SS*.THydrogen-bonded Turntrans50.934.4-178.7-89.2-45.3000112.9Y40 K46Y40-D44 PolarHBondContact O-N 2.03Å; D44-K46 PolarHBondContact O-N 3.48Å
45V65.2Low72.5Confident8 Ų871.3 Ų71.35%0.04838%0.377CS..  trans-69.599.6-178.41760000108.2Y40 D43 F47 M66Y40-V45 HydrophobicContact CD1-CB 3.68Å; Y40-V45 HydrophobicContact CD1-CG1 3.54Å; Y40-V45 HydrophobicContact CD1-CG2 4.23Å; Y40-V45 HydrophobicContact CE1-CG1 3.91Å; Y40-V45 PolarHBondContact O-N 3.45Å; D43-V45 HydrophobicContact CB-CG2 3.85Å; D43-V45 PolarHBondContact O-N 2.82Å; V45-F47 HydrophobicContact CG1-CE2 4.09Å; V45-F47 HydrophobicContact CG1-CZ 4.28Å; V45-M66 HydrophobicContact CB-CE 4.32Å; V45-M66 HydrophobicContact CG1-CE 3.5Å; V45-M66 VanDerWaalsContact CG1-CE 3.5Å; V45-M66 HydrophobicContact CG1-SD 3.79Å
46K74Confident74.7Confident111 Ų11170 Ų7048%0.48336%0.362SS..PPolyproline II helixtrans-100.1120.7176.2-65.2177.6-165.51780108.7D44 N127D44-K46 PolarHBondContact O-N 3.48Å; K46-N127 WeakPolarHBondContact CD-ND2 3.41Å
47F83.4Confident76.7Confident0 Ų075.4 Ų75.40%038%0.382CS..PPolyproline II helixtrans-75.6131.3169.3-67.6-88000108.3Y40 V45 Y64 F65 M66 I68 R105 L120 I126 N127Y40-F47 HydrophobicContact CD1-CE2 4.12Å; Y40-F47 AromaticContact CE1-CE2 3.69Å; Y40-F47 HydrophobicContact CE1-CE2 3.69Å; Y40-F47 AromaticContact CE1-CZ 3.71Å; Y40-F47 HydrophobicContact CE1-CZ 3.71Å; V45-F47 HydrophobicContact CG1-CE2 4.09Å; V45-F47 HydrophobicContact CG1-CZ 4.28Å; F47-Y64 HydrophobicContact CE1-CD1 4.39Å; F47-Y64 HydrophobicContact CE1-CG 4.43Å; F47-Y64 HydrophobicContact CZ-CD1 4.14Å; F47-Y64 HydrophobicContact CZ-CG 4.14Å; F47-F65 WeakPolarHBondContact CE1-O 3.28Å; F47-M66 CarbonylContact C-O 3.47Å; F47-M66 VanDerWaalsContact CA-O 3.24Å; F47-M66 WeakPolarHBondContact CA-O 3.48Å; F47-I68 HydrophobicContact CB-CD1 4.33Å; F47-R105 HydrophobicContact CD1-CB 4.17Å; F47-R105 HydrophobicContact CE1-CB 3.66Å; F47-R105 HydrophobicContact CE1-CG 4.48Å; F47-R105 HydrophobicContact CZ-CB 4.02Å; F47-R105 VanDerWaalsContact CZ-CD 3.44Å; F47-R105 HydrophobicContact CZ-CG 4.37Å; F47-L120 HydrophobicContact CB-CD1 4.13Å; F47-L120 HydrophobicContact CB-CD2 4.48Å; F47-L120 HydrophobicContact CD1-CD2 4.28Å; F47-L120 HydrophobicContact CD2-CD1 4.33Å; F47-L120 HydrophobicContact CD2-CD2 3.33Å; F47-L120 HydrophobicContact CD2-CG 4.5Å; F47-L120 HydrophobicContact CE1-CD2 4.4Å; F47-L120 HydrophobicContact CE2-CD2 3.49Å; F47-L120 VanDerWaalsContact CE2-CD2 3.49Å; F47-L120 HydrophobicContact CG-CD1 4.29Å; F47-L120 HydrophobicContact CG-CD2 3.77Å; F47-L120 HydrophobicContact CZ-CD2 4.04Å; F47-I126 VanDerWaalsContact O-CA 3.31Å; F47-I126 WeakPolarHBondContact O-CA 3.23Å; F47-N127 PolarHBondContact O-N 3.36Å
48S88.6Confident78.6Confident21 Ų2173.9 Ų73.915%0.14737%0.371CS..BIsolated β-bridgetrans-95.2166.9172.156.30000110.8M66 C67 I68 I126 N127S48-M66 PolarHBondContact N-O 3.41Å; S48-C67 WeakPolarHBondContact O-CA 3.37Å; S48-C67 PolarHBondContact OG-SG 2.85Å; S48-I68 WeakPolarHBondContact O-CG1 3.22Å; S48-I68 PolarHBondContact O-N 3.4Å; S48-I126 VanDerWaalsContact C-CG2 3.49Å; S48-N127 WeakPolarHBondContact CA-O 3.33Å
49K90.9Very high80.4Confident140 Ų14070.7 Ų70.761%0.60936%0.356SS*.SBendtrans-47.6161.3166.868.3-176.2-178.7-177.80112.5C51 C67 I126 N127K49-C51 PolarHBondContact O-N 3.29Å; K49-C67 WeakPolarHBondContact O-CB 3.34Å; K49-I126 HydrophobicContact CB-CG2 4.48Å; K49-I126 VanDerWaalsContact N-CG2 3.31Å; K49-N127 PolarHBondContact N-O 3.18Å
50P94.5Very high82Confident41 Ų4174 Ų7427%0.26637%0.372SS..PPolyproline II helixtrans-50.9131.5175.5-25.634.6000111.5Y56 I68 E70P50-Y56 HydrophobicContact CB-CE1 4.39Å; P50-I68 WeakPolarHBondContact CA-O 3.33Å; P50-I68 HydrophobicContact CG-CB 4.07Å; P50-I68 HydrophobicContact CG-CG2 4.21Å; P50-E70 HydrophobicContact CG-CG 3.71Å
51C95.2Very high83.4Confident5 Ų578.1 Ų78.13%0.03441%0.407CS..  trans-133.863.6-176.974.70000110.9K49 E53 E54 Y56 C67K49-C51 PolarHBondContact O-N 3.29Å; C51-E53 PolarHBondContact O-N 3.06Å; C51-E54 HydrophobicContact CB-CB 4.42Å; C51-E54 PolarHBondContact O-N 3.16Å; C51-Y56 PolarHBondContact O-N 2.64Å; C51-Y56 VanDerWaalsContact O-N 3.17Å; C51-Y56 VanDerWaalsContact SG-CA 3.59Å; C51-C67 HydrophobicContact CB-CB 3.93Å; C51-C67 WeakPolarHBondContact CB-SG 3.4Å; C51-C67 WeakPolarHBondContact SG-CB 3.48Å; C51-C67 CovalentContact SG-SG 2Å; C51-C67 PolarHBondContact SG-SG 2.87Å
52P95.5Very high84.6Confident76 Ų7674.3 Ų74.349%0.49438%0.383SS..G310 helixtrans-58.2-29.8-177.525.2-35.3000113.6E54 N55 Y56P52-E54 PolarHBondContact O-N 3.35Å; P52-N55 PolarHBondContact O-N 3.01Å; P52-N55 VanDerWaalsContact O-N 3.13Å; P52-Y56 HydrophobicContact CB-CE2 3.98Å
53E95.9Very high86.1Confident137 Ų13768.5 Ų68.564%0.6435%0.353SS*.G310 helixtrans-64.1-24.3176.168.9-71170.600113.6C51C51-E53 PolarHBondContact O-N 3.06Å
54E94.2Very high87.6Confident109 Ų10963.9 Ų63.951%0.50933%0.328SS..G310 helixtrans-104.318.1175.6-58-175.5-144.300112.3C51 P52 Y56 R57C51-E54 HydrophobicContact CB-CB 4.42Å; C51-E54 PolarHBondContact O-N 3.16Å; P52-E54 PolarHBondContact O-N 3.35Å; E54-Y56 PolarHBondContact O-N 2.96Å; E54-Y56 VanDerWaalsContact O-N 3.11Å; E54-R57 HydrophobicContact CB-CG 3.82Å; E54-R57 PolarHBondContact O-N 2.79Å; E54-R57 VanDerWaalsContact O-N 3.09Å; E54-R57 WeakPolarHBondContact OE2-CD 3.38Å; E54-R57 VanDerWaalsContact OE2-CG 3.32Å; E54-R57 WeakPolarHBondContact OE2-CG 3.06Å; E54-R57 IonicContact OE2-NE 3.92Å
55N95.1Very high89.1Confident74 Ų7458.2 Ų58.240%0.39630%0.298SS..THydrogen-bonded Turntrans47.239.7-173.7-159.534.9000113.4P52 R57 L78 Q81P52-N55 PolarHBondContact O-N 3.01Å; P52-N55 VanDerWaalsContact O-N 3.13Å; N55-R57 PolarHBondContact O-N 3.13Å; N55-L78 VanDerWaalsContact OD1-CD2 3.27Å; N55-L78 WeakPolarHBondContact OD1-CD2 3.46Å; N55-Q81 PolarHBondContact ND2-OE1 3.48Å; N55-Q81 VanDerWaalsContact ND2-OE1 3.17Å
56Y95.7Very high90.3Very high21 Ų2158.9 Ų58.98%0.08230%0.301CS..THydrogen-bonded Turntrans60.112.9178.6-60.5-98.3000116.1P50 C51 P52 E54 F65 M66 C67 I68 V69 K74 L78P50-Y56 HydrophobicContact CB-CE1 4.39Å; C51-Y56 PolarHBondContact O-N 2.64Å; C51-Y56 VanDerWaalsContact O-N 3.17Å; C51-Y56 VanDerWaalsContact SG-CA 3.59Å; P52-Y56 HydrophobicContact CB-CE2 3.98Å; E54-Y56 PolarHBondContact O-N 2.96Å; E54-Y56 VanDerWaalsContact O-N 3.11Å; Y56-F65 CarbonylContact O-C 3.58Å; Y56-M66 PolarHBondContact O-N 2.91Å; Y56-C67 HydrophobicContact CD1-CB 3.95Å; Y56-C67 HydrophobicContact CG-CB 4.48Å; Y56-C67 PolarHBondContact O-N 2.84Å; Y56-I68 WeakPolarHBondContact CD1-O 3.29Å; Y56-I68 VanDerWaalsContact CE1-O 3.24Å; Y56-I68 WeakPolarHBondContact CE1-O 2.86Å; Y56-V69 HydrophobicContact CD1-CB 4.41Å; Y56-V69 HydrophobicContact CD1-CG2 3.59Å; Y56-V69 HydrophobicContact CE1-CB 4.46Å; Y56-V69 HydrophobicContact CE1-CG2 4.08Å; Y56-V69 HydrophobicContact CG-CG2 4.05Å; Y56-K74 HydrophobicContact CE2-CG 4.34Å; Y56-L78 HydrophobicContact CD1-CD1 4.38Å; Y56-L78 HydrophobicContact CD2-CD1 3.54Å; Y56-L78 HydrophobicContact CD2-CD2 3.87Å; Y56-L78 HydrophobicContact CD2-CG 4.31Å; Y56-L78 HydrophobicContact CE2-CD1 4.07Å; Y56-L78 HydrophobicContact CG-CD1 3.71Å
57R93.9Very high91.2Very high121 Ų12153.6 Ų53.646%0.45728%0.278SS..  trans5071.3172.8-61.9172.864.9-178.9-5113.3E54 N55 H59 M66E54-R57 HydrophobicContact CB-CG 3.82Å; E54-R57 PolarHBondContact O-N 2.79Å; E54-R57 VanDerWaalsContact O-N 3.09Å; E54-R57 WeakPolarHBondContact OE2-CD 3.38Å; E54-R57 VanDerWaalsContact OE2-CG 3.32Å; E54-R57 WeakPolarHBondContact OE2-CG 3.06Å; E54-R57 IonicContact OE2-NE 3.92Å; N55-R57 PolarHBondContact O-N 3.13Å; R57-H59 PolarHBondContact O-N 3.04Å; R57-M66 HydrophobicContact CB-CB 4.01Å; R57-M66 WeakPolarHBondContact O-CB 3.33Å; R57-M66 VanDerWaalsContact O-CG 3.28Å; R57-M66 WeakPolarHBondContact O-CG 3.33Å; R57-M66 PolarHBondContact O-N 3.22Å
58Y93.6Very high91.6Very high41 Ų4153.7 Ų53.716%0.16128%0.278CS..EExtended strand (participates in β ladder)trans-62.1131.3174.2-174.5-108.8000111.7N60 G63 Y64 F65 I82 C108Y58-N60 WeakPolarHBondContact CD1-OD1 3.41Å; Y58-N60 WeakPolarHBondContact CE1-OD1 3.06Å; Y58-G63 VanDerWaalsContact CE2-C 3.47Å; Y58-G63 WeakPolarHBondContact CE2-O 2.95Å; Y58-G63 WeakPolarHBondContact OH-CA 3.36Å; Y58-Y64 CarbonylContact C-O 3.51Å; Y58-F65 HydrophobicContact CD2-CD1 4.07Å; Y58-F65 HydrophobicContact CD2-CD2 4.05Å; Y58-F65 AromaticContact CD2-CE1 3.71Å; Y58-F65 HydrophobicContact CD2-CE1 3.71Å; Y58-F65 AromaticContact CD2-CE2 3.7Å; Y58-F65 HydrophobicContact CD2-CE2 3.7Å; Y58-F65 HydrophobicContact CD2-CG 4.23Å; Y58-F65 AromaticContact CD2-CZ 3.5Å; Y58-F65 HydrophobicContact CD2-CZ 3.5Å; Y58-F65 VanDerWaalsContact CD2-CZ 3.5Å; Y58-F65 HydrophobicContact CE2-CE2 4.08Å; Y58-F65 HydrophobicContact CE2-CZ 4.15Å; Y58-F65 HydrophobicContact CG-CE1 4.12Å; Y58-F65 HydrophobicContact CG-CZ 4.24Å; Y58-I82 HydrophobicContact CD1-CD1 4.04Å; Y58-I82 HydrophobicContact CD1-CG1 4.27Å; Y58-I82 HydrophobicContact CD1-CG2 4.14Å; Y58-I82 HydrophobicContact CD2-CG1 4.22Å; Y58-I82 HydrophobicContact CE1-CD1 4.5Å; Y58-I82 HydrophobicContact CE1-CG1 4.45Å; Y58-I82 HydrophobicContact CE1-CG2 3.54Å; Y58-I82 HydrophobicContact CE2-CG1 4.38Å; Y58-I82 HydrophobicContact CE2-CG2 4.1Å; Y58-I82 HydrophobicContact CG-CD1 4.15Å; Y58-I82 HydrophobicContact CG-CG1 4.15Å; Y58-C108 HydrophobicContact CE2-CB 3.99Å; Y58-C108 PolarHBondContact OH-O 3.19Å
59H89.9Confident91.8Very high73 Ų7352.7 Ų52.734%0.33827%0.271SS..EExtended strand (participates in β ladder)trans-109.9101.8179.5-175-119.1000110.4R57 A61 T62 G63 Y64 M66R57-H59 PolarHBondContact O-N 3.04Å; H59-A61 VanDerWaalsContact C-N 3.3Å; H59-A61 PolarHBondContact O-N 2.75Å; H59-T62 WeakPolarHBondContact ND1-CG2 3.08Å; H59-T62 PolarHBondContact ND1-OG1 2.83Å; H59-T62 PolarHBondContact O-N 3.17Å; H59-G63 WeakPolarHBondContact O-CA 3.12Å; H59-G63 PolarHBondContact O-N 3.35Å; H59-Y64 PolarHBondContact N-O 3.31Å; H59-M66 HydrophobicContact CB-CG 3.76Å; H59-M66 HydrophobicContact CB-SD 3.9Å
60N87.7Confident91.9Very high128 Ų12848.7 Ų48.768%0.68426%0.255SS*.THydrogen-bonded Turntrans-54.1-40.5-173.2-73.6-14000114Y58 T62Y58-N60 WeakPolarHBondContact CD1-OD1 3.41Å; Y58-N60 WeakPolarHBondContact CE1-OD1 3.06Å; N60-T62 VanDerWaalsContact C-N 3.3Å; N60-T62 PolarHBondContact O-N 2.83Å
61A83.8Confident91.8Very high91 Ų9148.3 Ų48.375%0.75225%0.252SS*.THydrogen-bonded Turntrans-66.2-32.4-174.100000113H59H59-A61 VanDerWaalsContact C-N 3.3Å; H59-A61 PolarHBondContact O-N 2.75Å
62T82.9Confident91.5Very high14 Ų1448 Ų489%0.08625%0.25CC..THydrogen-bonded Turntrans-107.4-19-178.562.10000112.9T39 H59 N60 Y64 R107T39-T62 HydrophobicContact CG2-CG2 4.21Å; H59-T62 WeakPolarHBondContact ND1-CG2 3.08Å; H59-T62 PolarHBondContact ND1-OG1 2.83Å; H59-T62 PolarHBondContact O-N 3.17Å; N60-T62 VanDerWaalsContact C-N 3.3Å; N60-T62 PolarHBondContact O-N 2.83Å; T62-Y64 VanDerWaalsContact C-N 3.27Å; T62-Y64 HydrophobicContact CG2-CD2 4.46Å; T62-Y64 WeakPolarHBondContact OG1-CD2 2.96Å; T62-Y64 PolarHBondContact OG1-N 3.49Å; T62-R107 PolarHBondContact O-NE 3.22Å; T62-R107 PolarHBondContact O-NH2 3.4Å; T62-R107 VanDerWaalsContact O-NH2 3.1Å
63G88.5Confident91.3Very high4 Ų450.1 Ų50.14%0.04125%0.253CS..THydrogen-bonded Turntrans74.811-171.500000114.3Y58 H59 R107 C108Y58-G63 VanDerWaalsContact CE2-C 3.47Å; Y58-G63 WeakPolarHBondContact CE2-O 2.95Å; Y58-G63 WeakPolarHBondContact OH-CA 3.36Å; H59-G63 WeakPolarHBondContact O-CA 3.12Å; H59-G63 PolarHBondContact O-N 3.35Å; G63-R107 CarbonylContact O-C 3.6Å; G63-R107 VanDerWaalsContact O-CA 3.22Å; G63-R107 WeakPolarHBondContact O-CA 3.13Å; G63-R107 WeakPolarHBondContact O-CG 3.47Å; G63-C108 WeakPolarHBondContact CA-O 3.13Å; G63-C108 PolarHBondContact O-N 2.9Å
64Y89.8Confident91.2Very high7 Ų746.7 Ų46.73%0.02724%0.236CC..EExtended strand (participates in β ladder)trans-85.1145.7179.8-75.1-65.5000112.4P36 Y40 F47 Y58 H59 T62 R105 R107P36-Y64 HydrophobicContact CB-CE2 4.01Å; P36-Y64 WeakPolarHBondContact CB-OH 3.33Å; P36-Y64 WeakPolarHBondContact CG-OH 3.15Å; Y40-Y64 AromaticContact CE1-CD2 3.71Å; Y40-Y64 HydrophobicContact CE1-CD2 3.71Å; Y40-Y64 AromaticContact CE1-CE2 3.59Å; Y40-Y64 HydrophobicContact CE1-CE2 3.59Å; Y40-Y64 HydrophobicContact CE1-CG 4.38Å; Y40-Y64 AromaticContact CZ-CE2 3.68Å; Y40-Y64 AromaticContact CZ-CZ 3.74Å; Y40-Y64 WeakPolarHBondContact OH-CE1 3.47Å; Y40-Y64 WeakPolarHBondContact OH-CE2 3.03Å; Y40-Y64 PolarHBondContact OH-OH 3.44Å; F47-Y64 HydrophobicContact CE1-CD1 4.39Å; F47-Y64 HydrophobicContact CE1-CG 4.43Å; F47-Y64 HydrophobicContact CZ-CD1 4.14Å; F47-Y64 HydrophobicContact CZ-CG 4.14Å; Y58-Y64 CarbonylContact C-O 3.51Å; H59-Y64 PolarHBondContact N-O 3.31Å; T62-Y64 VanDerWaalsContact C-N 3.27Å; T62-Y64 HydrophobicContact CG2-CD2 4.46Å; T62-Y64 WeakPolarHBondContact OG1-CD2 2.96Å; T62-Y64 PolarHBondContact OG1-N 3.49Å; Y64-R105 HydrophobicContact CD1-CG 4.45Å; Y64-R105 HydrophobicContact CE1-CG 4.34Å; Y64-R107 HydrophobicContact CD1-CB 3.59Å; Y64-R107 HydrophobicContact CD1-CG 3.64Å; Y64-R107 HydrophobicContact CE1-CB 3.42Å; Y64-R107 VanDerWaalsContact CE1-CB 3.42Å; Y64-R107 HydrophobicContact CE1-CG 3.44Å; Y64-R107 VanDerWaalsContact CE1-CG 3.44Å; Y64-R107 HydrophobicContact CE2-CG 4.35Å; Y64-R107 HydrophobicContact CG-CG 4.14Å; Y64-R107 WeakPolarHBondContact OH-CD 3.28Å; Y64-R107 PolarHBondContact OH-NH1 2.94Å
65F93Very high91.2Very high0 Ų041.5 Ų41.50%021%0.212CC..EExtended strand (participates in β ladder)trans-83.6118.6157.2-66.6-88.8000108.1F47 Y56 Y58 C67 V69 L78 I82 C106F47-F65 WeakPolarHBondContact CE1-O 3.28Å; Y56-F65 CarbonylContact O-C 3.58Å; Y58-F65 HydrophobicContact CD2-CD1 4.07Å; Y58-F65 HydrophobicContact CD2-CD2 4.05Å; Y58-F65 AromaticContact CD2-CE1 3.71Å; Y58-F65 HydrophobicContact CD2-CE1 3.71Å; Y58-F65 AromaticContact CD2-CE2 3.7Å; Y58-F65 HydrophobicContact CD2-CE2 3.7Å; Y58-F65 HydrophobicContact CD2-CG 4.23Å; Y58-F65 AromaticContact CD2-CZ 3.5Å; Y58-F65 HydrophobicContact CD2-CZ 3.5Å; Y58-F65 VanDerWaalsContact CD2-CZ 3.5Å; Y58-F65 HydrophobicContact CE2-CE2 4.08Å; Y58-F65 HydrophobicContact CE2-CZ 4.15Å; Y58-F65 HydrophobicContact CG-CE1 4.12Å; Y58-F65 HydrophobicContact CG-CZ 4.24Å; F65-C67 PolarHBondContact O-N 3.46Å; F65-V69 HydrophobicContact CB-CG2 4.16Å; F65-L78 HydrophobicContact CD1-CB 4.3Å; F65-L78 HydrophobicContact CD1-CD1 4.24Å; F65-L78 HydrophobicContact CE1-CB 3.7Å; F65-L78 HydrophobicContact CE1-CD1 4.4Å; F65-L78 HydrophobicContact CE1-CD2 4.11Å; F65-L78 HydrophobicContact CE1-CG 4.29Å; F65-L78 HydrophobicContact CE2-CB 4.01Å; F65-L78 HydrophobicContact CZ-CB 3.55Å; F65-L78 WeakPolarHBondContact CZ-O 3.49Å; F65-I82 HydrophobicContact CE1-CG1 4.46Å; F65-I82 HydrophobicContact CZ-CG1 3.91Å; F65-C106 HydrophobicContact CB-CB 4.24Å; F65-C106 HydrophobicContact CD2-CB 3.7Å; F65-C106 HydrophobicContact CG-CB 4.28Å; F65-C106 PolarHBondContact N-O 3.29Å
66M90.5Very high91Very high23 Ų2338.7 Ų38.711%0.11320%0.196CC..SBendtrans-77.8-8.4-170.3-61.2-66.7-64.200113.2V45 F47 S48 Y56 R57 H59V45-M66 HydrophobicContact CB-CE 4.32Å; V45-M66 HydrophobicContact CG1-CE 3.5Å; V45-M66 VanDerWaalsContact CG1-CE 3.5Å; V45-M66 HydrophobicContact CG1-SD 3.79Å; F47-M66 CarbonylContact C-O 3.47Å; F47-M66 VanDerWaalsContact CA-O 3.24Å; F47-M66 WeakPolarHBondContact CA-O 3.48Å; S48-M66 PolarHBondContact N-O 3.41Å; Y56-M66 PolarHBondContact O-N 2.91Å; R57-M66 HydrophobicContact CB-CB 4.01Å; R57-M66 WeakPolarHBondContact O-CB 3.33Å; R57-M66 VanDerWaalsContact O-CG 3.28Å; R57-M66 WeakPolarHBondContact O-CG 3.33Å; R57-M66 PolarHBondContact O-N 3.22Å; H59-M66 HydrophobicContact CB-CG 3.76Å; H59-M66 HydrophobicContact CB-SD 3.9Å
67C92.6Very high91Very high0 Ų041 Ų410%021%0.21CC..BIsolated β-bridgetrans-102147.5168.4-61.60000110.9S48 K49 C51 Y56 F65 V69S48-C67 WeakPolarHBondContact O-CA 3.37Å; S48-C67 PolarHBondContact OG-SG 2.85Å; K49-C67 WeakPolarHBondContact O-CB 3.34Å; C51-C67 HydrophobicContact CB-CB 3.93Å; C51-C67 WeakPolarHBondContact CB-SG 3.4Å; C51-C67 WeakPolarHBondContact SG-CB 3.48Å; C51-C67 CovalentContact SG-SG 2Å; C51-C67 PolarHBondContact SG-SG 2.87Å; Y56-C67 HydrophobicContact CD1-CB 3.95Å; Y56-C67 HydrophobicContact CG-CB 4.48Å; Y56-C67 PolarHBondContact O-N 2.84Å; F65-C67 PolarHBondContact O-N 3.46Å; C67-V69 PolarHBondContact O-N 2.86Å
68I91.7Very high91.1Very high2 Ų235.2 Ų35.21%0.0119%0.188CC..PPolyproline II helixtrans-54.3124.8171.4-63.4-62000109.4F47 S48 P50 Y56 E70 Y104 L120 I126F47-I68 HydrophobicContact CB-CD1 4.33Å; S48-I68 WeakPolarHBondContact O-CG1 3.22Å; S48-I68 PolarHBondContact O-N 3.4Å; P50-I68 WeakPolarHBondContact CA-O 3.33Å; P50-I68 HydrophobicContact CG-CB 4.07Å; P50-I68 HydrophobicContact CG-CG2 4.21Å; Y56-I68 WeakPolarHBondContact CD1-O 3.29Å; Y56-I68 VanDerWaalsContact CE1-O 3.24Å; Y56-I68 WeakPolarHBondContact CE1-O 2.86Å; I68-E70 HydrophobicContact CG2-CG 4.08Å; I68-Y104 WeakPolarHBondContact CD1-O 3.33Å; I68-L120 HydrophobicContact CD1-CD1 3.44Å; I68-L120 VanDerWaalsContact CD1-CD1 3.44Å; I68-L120 HydrophobicContact CD1-CG 4.26Å; I68-I126 HydrophobicContact CD1-CD1 3.9Å; I68-I126 HydrophobicContact CD1-CG1 4.15Å; I68-I126 HydrophobicContact CG1-CD1 3.95Å; I68-I126 HydrophobicContact CG1-CG1 4.29Å; I68-I126 HydrophobicContact CG1-CG2 4.2Å
69V93Very high91.2Very high0 Ų033.2 Ų33.20%018%0.181CC..PPolyproline II helixtrans-100117.8169.7-178.30000106.6Y56 F65 C67 K74 C75 L78 C106 Y117Y56-V69 HydrophobicContact CD1-CB 4.41Å; Y56-V69 HydrophobicContact CD1-CG2 3.59Å; Y56-V69 HydrophobicContact CE1-CB 4.46Å; Y56-V69 HydrophobicContact CE1-CG2 4.08Å; Y56-V69 HydrophobicContact CG-CG2 4.05Å; F65-V69 HydrophobicContact CB-CG2 4.16Å; C67-V69 PolarHBondContact O-N 2.86Å; V69-K74 HydrophobicContact CG1-CB 3.83Å; V69-K74 HydrophobicContact CG1-CG 3.85Å; V69-C75 HydrophobicContact CG1-CB 3.94Å; V69-L78 HydrophobicContact CG1-CD1 4.07Å; V69-L78 HydrophobicContact CG2-CD1 3.64Å; V69-C106 HydrophobicContact CB-CB 3.95Å; V69-C106 HydrophobicContact CG1-CB 4.47Å; V69-C106 HydrophobicContact CG2-CB 3.6Å; V69-Y117 VanDerWaalsContact O-CE2 3.27Å; V69-Y117 WeakPolarHBondContact O-CE2 3.29Å; V69-Y117 PolarHBondContact O-OH 2.79Å
70E92.4Very high91.4Very high56 Ų5634.9 Ų34.926%0.26219%0.188SC..  trans-82.1-16.1-166.2-70.2-171.4111.100114.4P50 I68 I100 K101 Y117P50-E70 HydrophobicContact CG-CG 3.71Å; I68-E70 HydrophobicContact CG2-CG 4.08Å; E70-I100 HydrophobicContact CB-CG2 4.2Å; E70-I100 HydrophobicContact CG-CG2 4.48Å; E70-I100 CarbonylContact O-C 3.57Å; E70-I100 WeakPolarHBondContact O-CA 3.47Å; E70-K101 WeakPolarHBondContact CA-O 3.28Å; E70-K101 PolarHBondContact O-N 3.17Å; E70-Y117 PolarHBondContact O-OH 3.01Å
71T92.1Very high91.8Very high32 Ų3234 Ų3420%0.19618%0.18CC..  trans-134.1153.8-178.568.60000112.3K74 C75 I100 Y117T71-K74 PolarHBondContact O-N 3.43Å; T71-K74 VanDerWaalsContact OG1-CB 3.24Å; T71-K74 WeakPolarHBondContact OG1-CB 3.35Å; T71-K74 PolarHBondContact OG1-N 3.29Å; T71-C75 PolarHBondContact O-N 3.35Å; T71-C75 VanDerWaalsContact O-N 3.13Å; T71-I100 HydrophobicContact CG2-CG1 4.45Å; T71-Y117 PolarHBondContact N-OH 3.35Å
72A90.1Very high92.2Very high0 Ų032.1 Ų32.10%016%0.157CC..Hα-helixtrans-64.6-44.4177.600000111.3K74 C75 I76 L87 I93 Y117A72-K74 PolarHBondContact O-N 3.25Å; A72-C75 WeakPolarHBondContact O-CB 3.29Å; A72-C75 PolarHBondContact O-N 2.78Å; A72-C75 VanDerWaalsContact O-N 3.12Å; A72-I76 WeakPolarHBondContact O-CG1 3.4Å; A72-I76 PolarHBondContact O-N 3.35Å; A72-L87 HydrophobicContact CB-CD1 3.84Å; A72-I93 HydrophobicContact CB-CG2 3.98Å; A72-Y117 HydrophobicContact CB-CD1 3.61Å; A72-Y117 HydrophobicContact CB-CE1 3.84Å; A72-Y117 HydrophobicContact CB-CG 4.43Å
73E91.4Very high92.7Very high120 Ų12033.6 Ų33.656%0.56118%0.175SC*.Hα-helixtrans-54.7-49.3174.7-175.7178.2-171.400111.7C75 I76 D77E73-C75 VanDerWaalsContact C-N 3.26Å; E73-C75 PolarHBondContact O-N 3.22Å; E73-I76 WeakPolarHBondContact O-CB 3.46Å; E73-I76 PolarHBondContact O-N 2.91Å; E73-I76 VanDerWaalsContact O-N 3.07Å; E73-D77 PolarHBondContact O-N 3.01Å
74K93.7Very high92.9Very high64 Ų6433.6 Ų33.628%0.27817%0.174SC..Hα-helixtrans-63.7-34.8178.7-173.658.3178.4175.10112.2Y56 V69 T71 A72 I76 L78Y56-K74 HydrophobicContact CE2-CG 4.34Å; V69-K74 HydrophobicContact CG1-CB 3.83Å; V69-K74 HydrophobicContact CG1-CG 3.85Å; T71-K74 PolarHBondContact O-N 3.43Å; T71-K74 VanDerWaalsContact OG1-CB 3.24Å; T71-K74 WeakPolarHBondContact OG1-CB 3.35Å; T71-K74 PolarHBondContact OG1-N 3.29Å; A72-K74 PolarHBondContact O-N 3.25Å; K74-I76 VanDerWaalsContact C-N 3.35Å; K74-L78 HydrophobicContact CG-CD1 4.15Å; K74-L78 WeakPolarHBondContact O-CB 3.28Å; K74-L78 WeakPolarHBondContact O-CD1 3.32Å; K74-L78 VanDerWaalsContact O-CG 3.23Å; K74-L78 WeakPolarHBondContact O-CG 2.98Å; K74-L78 PolarHBondContact O-N 3.48Å; K74-L78 VanDerWaalsContact O-N 3.1Å
75C93.4Very high92.8Very high0 Ų038.2 Ų38.20%020%0.199CC..Hα-helixtrans-64.3-40.3175.1177.80000111.6V69 T71 A72 E73 L78 C79 C106 C115 F116 Y117V69-C75 HydrophobicContact CG1-CB 3.94Å; T71-C75 PolarHBondContact O-N 3.35Å; T71-C75 VanDerWaalsContact O-N 3.13Å; A72-C75 WeakPolarHBondContact O-CB 3.29Å; A72-C75 PolarHBondContact O-N 2.78Å; A72-C75 VanDerWaalsContact O-N 3.12Å; E73-C75 VanDerWaalsContact C-N 3.26Å; E73-C75 PolarHBondContact O-N 3.22Å; C75-L78 PolarHBondContact O-N 2.86Å; C75-C79 WeakPolarHBondContact O-CB 3.19Å; C75-C79 PolarHBondContact O-N 3.42Å; C75-C79 PolarHBondContact O-SG 3.49Å; C75-C79 VanDerWaalsContact O-SG 3.4Å; C75-C106 WeakPolarHBondContact CA-SG 3.39Å; C75-C106 HydrophobicContact CB-CB 3.73Å; C75-C106 WeakPolarHBondContact CB-SG 3.49Å; C75-C106 PolarHBondContact O-SG 3.48Å; C75-C106 VanDerWaalsContact O-SG 3.35Å; C75-C106 VanDerWaalsContact SG-CA 3.5Å; C75-C106 WeakPolarHBondContact SG-CB 3.14Å; C75-C106 CovalentContact SG-SG 2.03Å; C75-C106 PolarHBondContact SG-SG 3.5Å; C75-C115 PolarHBondContact O-SG 3.03Å; C75-C115 PolarHBondContact SG-SG 3.42Å; C75-F116 PolarHBondContact SG-O 2.83Å; C75-Y117 HydrophobicContact CB-CD2 3.94Å; C75-Y117 HydrophobicContact CB-CG 4.32Å
76I92.4Very high92.3Very high15 Ų1542.1 Ų42.18%0.07722%0.22CC..Hα-helixtrans-61.6-50.4175.7-66.3158.4000110.6A72 E73 K74 L78 C79 Q80 D86 L87A72-I76 WeakPolarHBondContact O-CG1 3.4Å; A72-I76 PolarHBondContact O-N 3.35Å; E73-I76 WeakPolarHBondContact O-CB 3.46Å; E73-I76 PolarHBondContact O-N 2.91Å; E73-I76 VanDerWaalsContact O-N 3.07Å; K74-I76 VanDerWaalsContact C-N 3.35Å; I76-L78 VanDerWaalsContact C-N 3.27Å; I76-L78 PolarHBondContact O-N 2.86Å; I76-C79 WeakPolarHBondContact O-CB 3.25Å; I76-C79 PolarHBondContact O-N 2.82Å; I76-C79 VanDerWaalsContact O-N 3.14Å; I76-Q80 HydrophobicContact CG2-CG 4.2Å; I76-Q80 WeakPolarHBondContact O-CB 3.31Å; I76-Q80 WeakPolarHBondContact O-CG 3.25Å; I76-Q80 PolarHBondContact O-N 3.23Å; I76-D86 VanDerWaalsContact CD1-OD1 3.25Å; I76-D86 WeakPolarHBondContact CD1-OD1 3.26Å; I76-L87 HydrophobicContact CD1-CD1 3.86Å; I76-L87 HydrophobicContact CD1-CG 3.84Å; I76-L87 HydrophobicContact CG1-CB 4.44Å; I76-L87 HydrophobicContact CG1-CD1 4.03Å; I76-L87 HydrophobicContact CG1-CD2 4.33Å; I76-L87 HydrophobicContact CG1-CG 3.56Å
77D94.5Very high91.7Very high69 Ų6941.9 Ų41.937%0.36922%0.219SC..Hα-helixtrans-55.1-46.4179.2-66.6-16.4000111.3E73 Q80 Q81E73-D77 PolarHBondContact O-N 3.01Å; D77-Q80 PolarHBondContact O-N 2.73Å; D77-Q81 WeakPolarHBondContact O-CG 3.34Å; D77-Q81 PolarHBondContact O-N 2.95Å; D77-Q81 VanDerWaalsContact O-N 3.13Å
78L96.2Very high90.8Very high0 Ų044.4 Ų44.40%023%0.229CC..Hα-helixtrans-65-43.9178.7-72.4170.2000111.7N55 Y56 F65 V69 K74 C75 I76 Q80 Q81 I82N55-L78 VanDerWaalsContact OD1-CD2 3.27Å; N55-L78 WeakPolarHBondContact OD1-CD2 3.46Å; Y56-L78 HydrophobicContact CD1-CD1 4.38Å; Y56-L78 HydrophobicContact CD2-CD1 3.54Å; Y56-L78 HydrophobicContact CD2-CD2 3.87Å; Y56-L78 HydrophobicContact CD2-CG 4.31Å; Y56-L78 HydrophobicContact CE2-CD1 4.07Å; Y56-L78 HydrophobicContact CG-CD1 3.71Å; F65-L78 HydrophobicContact CD1-CB 4.3Å; F65-L78 HydrophobicContact CD1-CD1 4.24Å; F65-L78 HydrophobicContact CE1-CB 3.7Å; F65-L78 HydrophobicContact CE1-CD1 4.4Å; F65-L78 HydrophobicContact CE1-CD2 4.11Å; F65-L78 HydrophobicContact CE1-CG 4.29Å; F65-L78 HydrophobicContact CE2-CB 4.01Å; F65-L78 HydrophobicContact CZ-CB 3.55Å; F65-L78 WeakPolarHBondContact CZ-O 3.49Å; V69-L78 HydrophobicContact CG1-CD1 4.07Å; V69-L78 HydrophobicContact CG2-CD1 3.64Å; K74-L78 HydrophobicContact CG-CD1 4.15Å; K74-L78 WeakPolarHBondContact O-CB 3.28Å; K74-L78 WeakPolarHBondContact O-CD1 3.32Å; K74-L78 VanDerWaalsContact O-CG 3.23Å; K74-L78 WeakPolarHBondContact O-CG 2.98Å; K74-L78 PolarHBondContact O-N 3.48Å; K74-L78 VanDerWaalsContact O-N 3.1Å; C75-L78 PolarHBondContact O-N 2.86Å; I76-L78 VanDerWaalsContact C-N 3.27Å; I76-L78 PolarHBondContact O-N 2.86Å; L78-Q80 VanDerWaalsContact C-N 3.35Å; L78-Q80 PolarHBondContact O-N 3.47Å; L78-Q81 WeakPolarHBondContact O-CB 3.48Å; L78-Q81 PolarHBondContact O-N 3.47Å; L78-I82 WeakPolarHBondContact O-CG1 3.08Å; L78-I82 PolarHBondContact O-N 3.22Å
79C94.7Very high89.7Confident0 Ų052.3 Ų52.30%026%0.264CS..Hα-helixtrans-61-41.7175.4-82.40000112.5C75 I76 Q81 I82 G83 C84 C106 C108 C115C75-C79 WeakPolarHBondContact O-CB 3.19Å; C75-C79 PolarHBondContact O-N 3.42Å; C75-C79 PolarHBondContact O-SG 3.49Å; C75-C79 VanDerWaalsContact O-SG 3.4Å; I76-C79 WeakPolarHBondContact O-CB 3.25Å; I76-C79 PolarHBondContact O-N 2.82Å; I76-C79 VanDerWaalsContact O-N 3.14Å; C79-Q81 VanDerWaalsContact C-N 3.33Å; C79-Q81 PolarHBondContact O-N 2.93Å; C79-I82 CarbonylContact O-C 3.56Å; C79-I82 PolarHBondContact O-N 3.41Å; C79-I82 VanDerWaalsContact O-N 3.08Å; C79-G83 PolarHBondContact O-N 3.09Å; C79-C84 HydrophobicContact CB-CB 3.87Å; C79-C84 PolarHBondContact O-N 3.49Å; C79-C106 VanDerWaalsContact SG-SG 3.68Å; C79-C108 HydrophobicContact CB-CB 4.39Å; C79-C115 HydrophobicContact CB-CB 3.49Å; C79-C115 VanDerWaalsContact CB-CB 3.49Å; C79-C115 WeakPolarHBondContact CB-SG 3.44Å; C79-C115 WeakPolarHBondContact SG-CB 3.49Å; C79-C115 CovalentContact SG-SG 2.03Å; C79-C115 PolarHBondContact SG-SG 2.99Å
80Q94.7Very high88.3Confident107 Ų10755.7 Ų55.750%0.528%0.28SS..Hα-helixtrans-65.1-36.1179-73.5177.3-5.900112.2I76 D77 L78 I82 G83 C84I76-Q80 HydrophobicContact CG2-CG 4.2Å; I76-Q80 WeakPolarHBondContact O-CB 3.31Å; I76-Q80 WeakPolarHBondContact O-CG 3.25Å; I76-Q80 PolarHBondContact O-N 3.23Å; D77-Q80 PolarHBondContact O-N 2.73Å; L78-Q80 VanDerWaalsContact C-N 3.35Å; L78-Q80 PolarHBondContact O-N 3.47Å; Q80-I82 PolarHBondContact O-N 2.78Å; Q80-G83 PolarHBondContact O-N 3.4Å; Q80-G83 VanDerWaalsContact O-N 3.11Å; Q80-C84 WeakPolarHBondContact CA-O 3.26Å
81Q95.5Very high87Confident110 Ų11053.6 Ų53.651%0.51427%0.272SS..Hα-helixtrans-60-27.2172.7-70.2170.516.300113N55 D77 L78 C79N55-Q81 PolarHBondContact ND2-OE1 3.48Å; N55-Q81 VanDerWaalsContact ND2-OE1 3.17Å; D77-Q81 WeakPolarHBondContact O-CG 3.34Å; D77-Q81 PolarHBondContact O-N 2.95Å; D77-Q81 VanDerWaalsContact O-N 3.13Å; L78-Q81 WeakPolarHBondContact O-CB 3.48Å; L78-Q81 PolarHBondContact O-N 3.47Å; C79-Q81 VanDerWaalsContact C-N 3.33Å; C79-Q81 PolarHBondContact O-N 2.93Å
82I93.9Very high85.8Confident52 Ų5256.9 Ų56.927%0.26729%0.292SS..THydrogen-bonded Turntrans-97.6-0.8-179.3-53.7-60.2000112.2Y58 F65 L78 C79 Q80Y58-I82 HydrophobicContact CD1-CD1 4.04Å; Y58-I82 HydrophobicContact CD1-CG1 4.27Å; Y58-I82 HydrophobicContact CD1-CG2 4.14Å; Y58-I82 HydrophobicContact CD2-CG1 4.22Å; Y58-I82 HydrophobicContact CE1-CD1 4.5Å; Y58-I82 HydrophobicContact CE1-CG1 4.45Å; Y58-I82 HydrophobicContact CE1-CG2 3.54Å; Y58-I82 HydrophobicContact CE2-CG1 4.38Å; Y58-I82 HydrophobicContact CE2-CG2 4.1Å; Y58-I82 HydrophobicContact CG-CD1 4.15Å; Y58-I82 HydrophobicContact CG-CG1 4.15Å; F65-I82 HydrophobicContact CE1-CG1 4.46Å; F65-I82 HydrophobicContact CZ-CG1 3.91Å; L78-I82 WeakPolarHBondContact O-CG1 3.08Å; L78-I82 PolarHBondContact O-N 3.22Å; C79-I82 CarbonylContact O-C 3.56Å; C79-I82 PolarHBondContact O-N 3.41Å; C79-I82 VanDerWaalsContact O-N 3.08Å; Q80-I82 PolarHBondContact O-N 2.78Å
83G93.6Very high84.7Confident44 Ų4457.2 Ų57.245%0.45429%0.294SS..THydrogen-bonded Turntrans87.919.3178.600000115C79 Q80 H113C79-G83 PolarHBondContact O-N 3.09Å; Q80-G83 PolarHBondContact O-N 3.4Å; Q80-G83 VanDerWaalsContact O-N 3.11Å; G83-H113 PolarHBondContact O-ND1 2.84Å
84C92Very high83.6Confident4 Ų455.8 Ų55.83%0.02730%0.295CS..  trans-88.7153.3163.4-810000111.1C79 Q80 C108 V114C79-C84 HydrophobicContact CB-CB 3.87Å; C79-C84 PolarHBondContact O-N 3.49Å; Q80-C84 WeakPolarHBondContact CA-O 3.26Å; C84-C108 HydrophobicContact CB-CB 3.82Å; C84-C108 WeakPolarHBondContact CB-SG 3.44Å; C84-C108 VanDerWaalsContact SG-C 3.57Å; C84-C108 WeakPolarHBondContact SG-CA 3.37Å; C84-C108 WeakPolarHBondContact SG-CB 3.19Å; C84-C108 CovalentContact SG-SG 2.03Å; C84-C108 PolarHBondContact SG-SG 3.45Å; C84-V114 PolarHBondContact SG-O 3.23Å
85N87.6Confident82.1Confident104 Ų10454.8 Ų54.856%0.55630%0.296SS*.  trans-78.8-165175.2-60.1-60.2000111.3H113 C115N85-H113 WeakPolarHBondContact CB-O 3.3Å; N85-H113 PolarHBondContact N-O 2.98Å; N85-H113 WeakPolarHBondContact ND2-CB 3.37Å; N85-H113 PolarHBondContact ND2-O 3.39Å; N85-C115 WeakPolarHBondContact O-CB 3.46Å
86D81.8Confident81Confident82 Ų8264.1 Ų64.144%0.43934%0.336SS..SBendtrans-57171.7173.9-156-12.6000112.4I76 Y88 C115I76-D86 VanDerWaalsContact CD1-OD1 3.25Å; I76-D86 WeakPolarHBondContact CD1-OD1 3.26Å; D86-Y88 PolarHBondContact O-N 3.43Å; D86-C115 PolarHBondContact O-N 3.42Å
87L77.7Confident80.2Confident19 Ų1965.3 Ų65.310%0.09934%0.343CS..BIsolated β-bridgetrans-55.7134.4173.6-75.7174.6000110.6A72 I76 F89 C115A72-L87 HydrophobicContact CB-CD1 3.84Å; I76-L87 HydrophobicContact CD1-CD1 3.86Å; I76-L87 HydrophobicContact CD1-CG 3.84Å; I76-L87 HydrophobicContact CG1-CB 4.44Å; I76-L87 HydrophobicContact CG1-CD1 4.03Å; I76-L87 HydrophobicContact CG1-CD2 4.33Å; I76-L87 HydrophobicContact CG1-CG 3.56Å; L87-F89 PolarHBondContact O-N 2.84Å; L87-C115 WeakPolarHBondContact CA-O 3.3Å; L87-C115 HydrophobicContact CD2-CB 4.04Å
88Y74.1Confident79.4Confident52 Ų5267.8 Ų67.820%0.20436%0.356CS..PPolyproline II helixtrans-56.9131.7171.2-167.2-120.8000109.3Q29 D86 M90 S91 V114 C115 F116Q29-Y88 PolarHBondContact NE2-OH 3.48Å; D86-Y88 PolarHBondContact O-N 3.43Å; Y88-M90 HydrophobicContact CD1-CB 3.67Å; Y88-M90 HydrophobicContact CD1-CG 4.13Å; Y88-M90 HydrophobicContact CE1-CB 3.6Å; Y88-M90 HydrophobicContact CE1-CG 3.62Å; Y88-M90 HydrophobicContact CE1-SD 3.72Å; Y88-M90 PolarHBondContact O-N 3Å; Y88-S91 WeakPolarHBondContact O-CB 3.3Å; Y88-S91 PolarHBondContact O-N 3.02Å; Y88-S91 PolarHBondContact O-OG 3.33Å; Y88-V114 HydrophobicContact CD2-CB 4.22Å; Y88-V114 HydrophobicContact CD2-CG1 3.81Å; Y88-V114 HydrophobicContact CE2-CG1 4.42Å; Y88-C115 PolarHBondContact N-O 3.37Å; Y88-F116 AromaticContact CD1-CE1 3.62Å; Y88-F116 HydrophobicContact CD1-CE1 3.62Å; Y88-F116 HydrophobicContact CD1-CZ 4.35Å; Y88-F116 AromaticContact CG-CE1 3.78Å; Y88-F116 HydrophobicContact CG-CE1 3.78Å; Y88-F116 HydrophobicContact CG-CZ 4.32Å
89F68.9Low78.9Confident169 Ų16974.3 Ų74.374%0.74138%0.384SS*.THydrogen-bonded Turntrans-60.2-20-173.774-86.4000113.6L87L87-F89 PolarHBondContact O-N 2.84Å
90M64.7Low78.7Confident70 Ų7079.4 Ų79.435%0.34541%0.411SS..THydrogen-bonded Turntrans-91.55174.4-53.3-178.358.900113.7Q29 Y88 V92Q29-M90 PolarHBondContact NE2-SD 3.3Å; Q29-M90 PolarHBondContact OE1-SD 3.1Å; Q29-M90 VanDerWaalsContact OE1-SD 3.41Å; Y88-M90 HydrophobicContact CD1-CB 3.67Å; Y88-M90 HydrophobicContact CD1-CG 4.13Å; Y88-M90 HydrophobicContact CE1-CB 3.6Å; Y88-M90 HydrophobicContact CE1-CG 3.62Å; Y88-M90 HydrophobicContact CE1-SD 3.72Å; Y88-M90 PolarHBondContact O-N 3Å; M90-V92 PolarHBondContact O-N 3.15Å
91S65Low78.3Confident13 Ų1377.3 Ų77.39%0.09140%0.4CS..SBendtrans-57139.1168-62.50000108.8Y88 I93Y88-S91 WeakPolarHBondContact O-CB 3.3Å; Y88-S91 PolarHBondContact O-N 3.02Å; Y88-S91 PolarHBondContact O-OG 3.33Å; S91-I93 PolarHBondContact O-N 3.43Å
92V66.3Low77.9Confident100 Ų10080.8 Ų80.861%0.60641%0.408SS*.SBendtrans-58.8-23.5-177.7-179.80000111.7M90M90-V92 PolarHBondContact O-N 3.15Å
93I66.5Low77.3Confident8 Ų882.3 Ų82.34%0.04142%0.417CS..SBendtrans-117.2127.4-178.4-65.6-169.7000110.2A72 S91 N97 K101 Y104 Y117A72-I93 HydrophobicContact CB-CG2 3.98Å; S91-I93 PolarHBondContact O-N 3.43Å; I93-N97 HydrophobicContact CG2-CB 3.5Å; I93-K101 HydrophobicContact CD1-CD 4.43Å; I93-K101 HydrophobicContact CD1-CG 4.06Å; I93-Y104 HydrophobicContact CD1-CD1 3.81Å; I93-Y104 HydrophobicContact CD1-CE1 3.16Å; I93-Y104 HydrophobicContact CD1-CE2 4.41Å; I93-Y104 HydrophobicContact CG1-CE1 3.74Å; I93-Y117 HydrophobicContact CB-CD1 3.94Å; I93-Y117 HydrophobicContact CB-CE1 4.41Å; I93-Y117 HydrophobicContact CD1-CD1 4.09Å; I93-Y117 HydrophobicContact CD1-CE1 3.8Å; I93-Y117 HydrophobicContact CG1-CD1 4.49Å; I93-Y117 HydrophobicContact CG2-CD1 4Å; I93-Y117 HydrophobicContact CG2-CE1 4.19Å
94P68.7Low77Confident90 Ų9081.4 Ų81.458%0.58440%0.4SS*.  trans-62.4148.4170.8-2132.1000112.5K96 N97P94-K96 PolarHBondContact O-N 3.45Å; P94-K96 VanDerWaalsContact O-N 3.16Å; P94-N97 VanDerWaalsContact O-CB 3.29Å; P94-N97 WeakPolarHBondContact O-CB 3.48Å; P94-N97 PolarHBondContact O-N 2.87Å
95S62.6Low76.7Confident42 Ų4281.8 Ų81.829%0.29440%0.401SS..THydrogen-bonded Turntrans-54.8-33.2178.9510000114.9N97S95-N97 PolarHBondContact O-N 3.36Å
96K70Confident76.8Confident197 Ų19776.9 Ų76.986%0.85737%0.374SS*.THydrogen-bonded Turntrans-82.49.7-179.7-59.3-174.5179.4-177.20114.6P94P94-K96 PolarHBondContact O-N 3.45Å; P94-K96 VanDerWaalsContact O-N 3.16Å
97N75.8Confident77.2Confident39 Ų3974.6 Ų74.621%0.20936%0.36CS..  trans-88.1111.7178.4-170.1-9.3000110.6I93 P94 S95 K99I93-N97 HydrophobicContact CG2-CB 3.5Å; P94-N97 VanDerWaalsContact O-CB 3.29Å; P94-N97 WeakPolarHBondContact O-CB 3.48Å; P94-N97 PolarHBondContact O-N 2.87Å; S95-N97 PolarHBondContact O-N 3.36Å; N97-K99 VanDerWaalsContact OD1-CB 3.23Å; N97-K99 WeakPolarHBondContact OD1-CB 3.4Å; N97-K99 VanDerWaalsContact OD1-CG 3.28Å; N97-K99 WeakPolarHBondContact OD1-CG 3.43Å; N97-K99 PolarHBondContact OD1-N 3.32Å
98D77.6Confident77.9Confident121 Ų12173.7 Ų73.765%0.64736%0.355SS*.  trans-88.8-0.418064-16.4000113.5I100D98-I100 PolarHBondContact O-N 3Å
99K85.9Confident78.4Confident137 Ų13772.9 Ų72.960%0.59635%0.352SS*.  trans-65.3124.5-179.6-68-176.3-179.3-175.60111.3N97 K101N97-K99 VanDerWaalsContact OD1-CB 3.23Å; N97-K99 WeakPolarHBondContact OD1-CB 3.4Å; N97-K99 VanDerWaalsContact OD1-CG 3.28Å; N97-K99 WeakPolarHBondContact OD1-CG 3.43Å; N97-K99 PolarHBondContact OD1-N 3.32Å; K99-K101 PolarHBondContact O-N 2.93Å
100I88.9Confident79.1Confident108 Ų10869.1 Ų69.155%0.55434%0.337SS*.  trans-58.1126.9171.6-67.1171.1000110.5E70 T71 D98 R102E70-I100 HydrophobicContact CB-CG2 4.2Å; E70-I100 HydrophobicContact CG-CG2 4.48Å; E70-I100 CarbonylContact O-C 3.57Å; E70-I100 WeakPolarHBondContact O-CA 3.47Å; T71-I100 HydrophobicContact CG2-CG1 4.45Å; D98-I100 PolarHBondContact O-N 3Å; I100-R102 HydrophobicContact CG2-CG 4.31Å
101K87.3Confident79.9Confident62 Ų6271.9 Ų71.927%0.2735%0.354SS..  trans-125.5117.1173.8-57.7-66.9-1761740110E70 I93 K99 N103 Y104 Y117E70-K101 WeakPolarHBondContact CA-O 3.28Å; E70-K101 PolarHBondContact O-N 3.17Å; I93-K101 HydrophobicContact CD1-CD 4.43Å; I93-K101 HydrophobicContact CD1-CG 4.06Å; K99-K101 PolarHBondContact O-N 2.93Å; K101-N103 VanDerWaalsContact C-N 3.34Å; K101-Y104 HydrophobicContact CB-CD2 3.52Å; K101-Y104 HydrophobicContact CB-CE2 4.2Å; K101-Y104 HydrophobicContact CB-CG 3.75Å; K101-Y104 HydrophobicContact CD-CD2 4.24Å; K101-Y104 HydrophobicContact CD-CE2 4.05Å; K101-Y104 HydrophobicContact CG-CD2 3.88Å; K101-Y104 HydrophobicContact CG-CE2 4.11Å; K101-Y104 HydrophobicContact CG-CG 4.12Å; K101-Y117 WeakPolarHBondContact CB-OH 3.44Å
102R86.2Confident80.8Confident184 Ų18477.8 Ų77.869%0.69438%0.375SS*.THydrogen-bonded Turntrans-87.5-3.9-177.5-64.3-177.9179.31671.3114.3I100 I126I100-R102 HydrophobicContact CG2-CG 4.31Å; R102-I126 WeakPolarHBondContact O-CD1 3.35Å
103N82.3Confident81.9Confident84 Ų8477.7 Ų77.745%0.44937%0.368SS..THydrogen-bonded Turntrans-126.730.3-177.269.3-35.6000111.3K101 P119 L120K101-N103 VanDerWaalsContact C-N 3.34Å; N103-P119 CarbonylContact O-C 3.52Å; N103-P119 WeakPolarHBondContact O-CA 3.48Å; N103-L120 WeakPolarHBondContact O-CB 3.29Å; N103-L120 PolarHBondContact O-N 3.37Å
104Y86.9Confident82.8Confident24 Ų2478.5 Ų78.59%0.09437%0.373CS..EExtended strand (participates in β ladder)trans-115.5151.9178.3-87.2-121.5000110.5I68 I93 K101 Y117 N118 P119I68-Y104 WeakPolarHBondContact CD1-O 3.33Å; I93-Y104 HydrophobicContact CD1-CD1 3.81Å; I93-Y104 HydrophobicContact CD1-CE1 3.16Å; I93-Y104 HydrophobicContact CD1-CE2 4.41Å; I93-Y104 HydrophobicContact CG1-CE1 3.74Å; K101-Y104 HydrophobicContact CB-CD2 3.52Å; K101-Y104 HydrophobicContact CB-CE2 4.2Å; K101-Y104 HydrophobicContact CB-CG 3.75Å; K101-Y104 HydrophobicContact CD-CD2 4.24Å; K101-Y104 HydrophobicContact CD-CE2 4.05Å; K101-Y104 HydrophobicContact CG-CD2 3.88Å; K101-Y104 HydrophobicContact CG-CE2 4.11Å; K101-Y104 HydrophobicContact CG-CG 4.12Å; Y104-Y117 VanDerWaalsContact CB-CE2 3.47Å; Y104-Y117 HydrophobicContact CD1-CD1 4.02Å; Y104-Y117 HydrophobicContact CD1-CD2 4.23Å; Y104-Y117 AromaticContact CD1-CE1 3.83Å; Y104-Y117 HydrophobicContact CD1-CE1 3.83Å; Y104-Y117 HydrophobicContact CD1-CE2 4.02Å; Y104-Y117 HydrophobicContact CD1-CG 4.21Å; Y104-Y117 AromaticContact CD1-CZ 3.83Å; Y104-Y117 HydrophobicContact CG-CE1 4.42Å; Y104-Y117 HydrophobicContact CG-CE2 4.18Å; Y104-N118 WeakPolarHBondContact CA-O 3.49Å; Y104-P119 HydrophobicContact CD2-CB 4.02Å; Y104-P119 HydrophobicContact CE1-CB 4.31Å; Y104-P119 HydrophobicContact CE1-CG 4.44Å; Y104-P119 HydrophobicContact CE2-CB 3.59Å; Y104-P119 HydrophobicContact CE2-CG 4.4Å
105R86.5Confident83.8Confident13 Ų1374.2 Ų74.25%0.04935%0.345CS..EExtended strand (participates in β ladder)trans-121.9151.1176.162.4177.2-179.1-7411.5110.4Y40 F47 Y64 N118 P119 L120Y40-R105 WeakPolarHBondContact OH-CD 3.39Å; Y40-R105 PolarHBondContact OH-NE 2.03Å; F47-R105 HydrophobicContact CD1-CB 4.17Å; F47-R105 HydrophobicContact CE1-CB 3.66Å; F47-R105 HydrophobicContact CE1-CG 4.48Å; F47-R105 HydrophobicContact CZ-CB 4.02Å; F47-R105 VanDerWaalsContact CZ-CD 3.44Å; F47-R105 HydrophobicContact CZ-CG 4.37Å; Y64-R105 HydrophobicContact CD1-CG 4.45Å; Y64-R105 HydrophobicContact CE1-CG 4.34Å; R105-N118 PolarHBondContact N-O 3.23Å; R105-N118 PolarHBondContact O-N 2.98Å; R105-N118 VanDerWaalsContact O-N 3.15Å; R105-P119 PolarHBondContact NH1-O 3.36Å; R105-L120 HydrophobicContact CB-CD2 3.87Å; R105-L120 HydrophobicContact CG-CD2 4Å; R105-L120 VanDerWaalsContact NH1-CA 3.31Å
106C90Very high85Confident0 Ų072.8 Ų72.80%033%0.333CS..EExtended strand (participates in β ladder)trans-103.8141172.3-169.60000110.2F65 V69 C75 C79 F116F65-C106 HydrophobicContact CB-CB 4.24Å; F65-C106 HydrophobicContact CD2-CB 3.7Å; F65-C106 HydrophobicContact CG-CB 4.28Å; F65-C106 PolarHBondContact N-O 3.29Å; V69-C106 HydrophobicContact CB-CB 3.95Å; V69-C106 HydrophobicContact CG1-CB 4.47Å; V69-C106 HydrophobicContact CG2-CB 3.6Å; C75-C106 WeakPolarHBondContact CA-SG 3.39Å; C75-C106 HydrophobicContact CB-CB 3.73Å; C75-C106 WeakPolarHBondContact CB-SG 3.49Å; C75-C106 PolarHBondContact O-SG 3.48Å; C75-C106 VanDerWaalsContact O-SG 3.35Å; C75-C106 VanDerWaalsContact SG-CA 3.5Å; C75-C106 WeakPolarHBondContact SG-CB 3.14Å; C75-C106 CovalentContact SG-SG 2.03Å; C75-C106 PolarHBondContact SG-SG 3.5Å; C79-C106 VanDerWaalsContact SG-SG 3.68Å; C106-F116 CarbonylContact C-O 3.58Å; C106-F116 WeakPolarHBondContact CA-O 3.5Å
107R89.8Confident85.9Confident34 Ų3463.4 Ų63.413%0.12829%0.293CS..EExtended strand (participates in β ladder)trans-139.1129.5174-164.9-162.9-170.3179.4-8.5110.5T62 G63 Y64 C115 F116T62-R107 PolarHBondContact O-NE 3.22Å; T62-R107 PolarHBondContact O-NH2 3.4Å; T62-R107 VanDerWaalsContact O-NH2 3.1Å; G63-R107 CarbonylContact O-C 3.6Å; G63-R107 VanDerWaalsContact O-CA 3.22Å; G63-R107 WeakPolarHBondContact O-CA 3.13Å; G63-R107 WeakPolarHBondContact O-CG 3.47Å; Y64-R107 HydrophobicContact CD1-CB 3.59Å; Y64-R107 HydrophobicContact CD1-CG 3.64Å; Y64-R107 HydrophobicContact CE1-CB 3.42Å; Y64-R107 VanDerWaalsContact CE1-CB 3.42Å; Y64-R107 HydrophobicContact CE1-CG 3.44Å; Y64-R107 VanDerWaalsContact CE1-CG 3.44Å; Y64-R107 HydrophobicContact CE2-CG 4.35Å; Y64-R107 HydrophobicContact CG-CG 4.14Å; Y64-R107 WeakPolarHBondContact OH-CD 3.28Å; Y64-R107 PolarHBondContact OH-NH1 2.94Å; R107-C115 CarbonylContact O-C 3.58Å; R107-C115 WeakPolarHBondContact O-CA 3.25Å; R107-F116 HydrophobicContact CB-CB 4.24Å; R107-F116 PolarHBondContact N-O 2.95Å; R107-F116 PolarHBondContact O-N 3.01Å
108C91.2Very high86.2Confident0 Ų062.5 Ų62.50%029%0.288CS..EExtended strand (participates in β ladder)trans-95.3112.8162166.60000108.1Y58 G63 C79 C84 Q110Y58-C108 HydrophobicContact CE2-CB 3.99Å; Y58-C108 PolarHBondContact OH-O 3.19Å; G63-C108 WeakPolarHBondContact CA-O 3.13Å; G63-C108 PolarHBondContact O-N 2.9Å; C79-C108 HydrophobicContact CB-CB 4.39Å; C84-C108 HydrophobicContact CB-CB 3.82Å; C84-C108 WeakPolarHBondContact CB-SG 3.44Å; C84-C108 VanDerWaalsContact SG-C 3.57Å; C84-C108 WeakPolarHBondContact SG-CA 3.37Å; C84-C108 WeakPolarHBondContact SG-CB 3.19Å; C84-C108 CovalentContact SG-SG 2.03Å; C84-C108 PolarHBondContact SG-SG 3.45Å; C108-Q110 PolarHBondContact O-N 2.87Å
109F86.4Confident86.4Confident35 Ų3559.2 Ų59.215%0.15427%0.273CS..EExtended strand (participates in β ladder)trans-92.796.2175-169.8-152.2000109.1V32 D111 Y112 H113 V114 F116V32-F109 HydrophobicContact CG1-CD1 4.5Å; V32-F109 HydrophobicContact CG1-CE1 3.94Å; V32-F109 HydrophobicContact CG1-CZ 4.47Å; F109-D111 VanDerWaalsContact C-N 3.35Å; F109-D111 HydrophobicContact CE2-CB 4.32Å; F109-D111 HydrophobicContact CZ-CB 4.43Å; F109-D111 PolarHBondContact O-N 2.91Å; F109-Y112 AromaticContact CD1-CD2 3.56Å; F109-Y112 HydrophobicContact CD1-CD2 3.56Å; F109-Y112 HydrophobicContact CD1-CE2 4.21Å; F109-Y112 AromaticContact CE1-CD2 3.24Å; F109-Y112 HydrophobicContact CE1-CD2 3.24Å; F109-Y112 AromaticContact CE1-CE2 3.42Å; F109-Y112 HydrophobicContact CE1-CE2 3.42Å; F109-Y112 VanDerWaalsContact CE1-CE2 3.42Å; F109-Y112 HydrophobicContact CG-CD2 4.48Å; F109-Y112 AromaticContact CZ-CD2 3.93Å; F109-Y112 HydrophobicContact CZ-CD2 3.93Å; F109-Y112 AromaticContact CZ-CE2 3.87Å; F109-Y112 HydrophobicContact CZ-CE2 3.87Å; F109-Y112 PolarHBondContact O-N 3.22Å; F109-H113 PolarHBondContact O-N 3.46Å; F109-V114 HydrophobicContact CB-CG2 4.17Å; F109-V114 PolarHBondContact N-O 3.29Å; F109-V114 PolarHBondContact O-N 2.91Å; F109-F116 HydrophobicContact CB-CD2 4.11Å; F109-F116 HydrophobicContact CB-CE2 3.65Å; F109-F116 HydrophobicContact CD1-CE2 4.07Å; F109-F116 HydrophobicContact CG-CE2 4.31Å
110Q83.2Confident86Confident90 Ų9053.3 Ų53.342%0.42125%0.248SC..G310 helixtrans-61.1-38.6-167.5-71.9-161.4-12.500113.6C108 Y112 H113C108-Q110 PolarHBondContact O-N 2.87Å; Q110-Y112 PolarHBondContact O-N 3.5Å; Q110-H113 PolarHBondContact O-N 3.41Å
111D81.8Confident85.2Confident129 Ų12949.6 Ų49.669%0.6923%0.231SC*.G310 helixtrans-56.2-28-177.3-61.5-19.8000113.6F109F109-D111 VanDerWaalsContact C-N 3.35Å; F109-D111 HydrophobicContact CE2-CB 4.32Å; F109-D111 HydrophobicContact CZ-CB 4.43Å; F109-D111 PolarHBondContact O-N 2.91Å
112Y83.1Confident84.1Confident136 Ų13658.1 Ų58.153%0.53326%0.261SS..G310 helixtrans-116.21.2177.8-62-81.5000112.9F109 Q110 V114F109-Y112 AromaticContact CD1-CD2 3.56Å; F109-Y112 HydrophobicContact CD1-CD2 3.56Å; F109-Y112 HydrophobicContact CD1-CE2 4.21Å; F109-Y112 AromaticContact CE1-CD2 3.24Å; F109-Y112 HydrophobicContact CE1-CD2 3.24Å; F109-Y112 AromaticContact CE1-CE2 3.42Å; F109-Y112 HydrophobicContact CE1-CE2 3.42Å; F109-Y112 VanDerWaalsContact CE1-CE2 3.42Å; F109-Y112 HydrophobicContact CG-CD2 4.48Å; F109-Y112 AromaticContact CZ-CD2 3.93Å; F109-Y112 HydrophobicContact CZ-CD2 3.93Å; F109-Y112 AromaticContact CZ-CE2 3.87Å; F109-Y112 HydrophobicContact CZ-CE2 3.87Å; F109-Y112 PolarHBondContact O-N 3.22Å; Q110-Y112 PolarHBondContact O-N 3.5Å; Y112-V114 WeakPolarHBondContact O-CG1 3.25Å; Y112-V114 PolarHBondContact O-N 3.02Å
113H88.4Confident83Confident99 Ų9959.5 Ų59.546%0.45827%0.268SS..THydrogen-bonded Turntrans50.341.4-175.2-58.1-83.3000113.3G83 N85 F109 Q110G83-H113 PolarHBondContact O-ND1 2.84Å; N85-H113 WeakPolarHBondContact CB-O 3.3Å; N85-H113 PolarHBondContact N-O 2.98Å; N85-H113 WeakPolarHBondContact ND2-CB 3.37Å; N85-H113 PolarHBondContact ND2-O 3.39Å; F109-H113 PolarHBondContact O-N 3.46Å; Q110-H113 PolarHBondContact O-N 3.41Å
114V87.2Confident82.2Confident25 Ų2557.6 Ų57.615%0.15226%0.256CS..EExtended strand (participates in β ladder)trans-116.2142.2-179.1-67.60000111.6C84 Y88 F109 Y112 F116C84-V114 PolarHBondContact SG-O 3.23Å; Y88-V114 HydrophobicContact CD2-CB 4.22Å; Y88-V114 HydrophobicContact CD2-CG1 3.81Å; Y88-V114 HydrophobicContact CE2-CG1 4.42Å; F109-V114 HydrophobicContact CB-CG2 4.17Å; F109-V114 PolarHBondContact N-O 3.29Å; F109-V114 PolarHBondContact O-N 2.91Å; Y112-V114 WeakPolarHBondContact O-CG1 3.25Å; Y112-V114 PolarHBondContact O-N 3.02Å; V114-F116 HydrophobicContact CB-CE2 4.49Å; V114-F116 HydrophobicContact CB-CZ 4.37Å; V114-F116 HydrophobicContact CG2-CD2 4.41Å; V114-F116 HydrophobicContact CG2-CE1 4.44Å; V114-F116 HydrophobicContact CG2-CE2 3.46Å; V114-F116 VanDerWaalsContact CG2-CE2 3.46Å; V114-F116 HydrophobicContact CG2-CZ 3.45Å; V114-F116 VanDerWaalsContact CG2-CZ 3.45Å
115C88.7Confident81.2Confident0 Ų062.7 Ų62.70%029%0.285CS..EExtended strand (participates in β ladder)trans-96.6139.2176.5-166.70000111.3C75 C79 N85 D86 L87 Y88 R107C75-C115 PolarHBondContact O-SG 3.03Å; C75-C115 PolarHBondContact SG-SG 3.42Å; C79-C115 HydrophobicContact CB-CB 3.49Å; C79-C115 VanDerWaalsContact CB-CB 3.49Å; C79-C115 WeakPolarHBondContact CB-SG 3.44Å; C79-C115 WeakPolarHBondContact SG-CB 3.49Å; C79-C115 CovalentContact SG-SG 2.03Å; C79-C115 PolarHBondContact SG-SG 2.99Å; N85-C115 WeakPolarHBondContact O-CB 3.46Å; D86-C115 PolarHBondContact O-N 3.42Å; L87-C115 WeakPolarHBondContact CA-O 3.3Å; L87-C115 HydrophobicContact CD2-CB 4.04Å; Y88-C115 PolarHBondContact N-O 3.37Å; R107-C115 CarbonylContact O-C 3.58Å; R107-C115 WeakPolarHBondContact O-CA 3.25Å
116F87.9Confident80.1Confident11 Ų1165.5 Ų65.55%0.04830%0.301CS..EExtended strand (participates in β ladder)trans-122.5135.1176.5-64.2-72000111.6H33 C75 Y88 C106 R107 F109 V114H33-F116 AromaticContact CE1-CD1 3.63Å; H33-F116 AromaticContact CE1-CE1 2.98Å; H33-F116 WeakPolarHBondContact CE1-CE1 3.42Å; H33-F116 AromaticContact CE1-CZ 3.28Å; H33-F116 WeakPolarHBondContact CE1-CZ 3.05Å; H33-F116 AromaticContact ND1-CD1 3.88Å; H33-F116 AromaticContact ND1-CE1 3.67Å; H33-F116 AromaticContact ND1-CZ 3.97Å; H33-F116 AromaticContact NE2-CE1 3.77Å; C75-F116 PolarHBondContact SG-O 2.83Å; Y88-F116 AromaticContact CD1-CE1 3.62Å; Y88-F116 HydrophobicContact CD1-CE1 3.62Å; Y88-F116 HydrophobicContact CD1-CZ 4.35Å; Y88-F116 AromaticContact CG-CE1 3.78Å; Y88-F116 HydrophobicContact CG-CE1 3.78Å; Y88-F116 HydrophobicContact CG-CZ 4.32Å; C106-F116 CarbonylContact C-O 3.58Å; C106-F116 WeakPolarHBondContact CA-O 3.5Å; R107-F116 HydrophobicContact CB-CB 4.24Å; R107-F116 PolarHBondContact N-O 2.95Å; R107-F116 PolarHBondContact O-N 3.01Å; F109-F116 HydrophobicContact CB-CD2 4.11Å; F109-F116 HydrophobicContact CB-CE2 3.65Å; F109-F116 HydrophobicContact CD1-CE2 4.07Å; F109-F116 HydrophobicContact CG-CE2 4.31Å; V114-F116 HydrophobicContact CB-CE2 4.49Å; V114-F116 HydrophobicContact CB-CZ 4.37Å; V114-F116 HydrophobicContact CG2-CD2 4.41Å; V114-F116 HydrophobicContact CG2-CE1 4.44Å; V114-F116 HydrophobicContact CG2-CE2 3.46Å; V114-F116 VanDerWaalsContact CG2-CE2 3.46Å; V114-F116 HydrophobicContact CG2-CZ 3.45Å; V114-F116 VanDerWaalsContact CG2-CZ 3.45Å
117Y88.3Confident79Confident1 Ų171.8 Ų71.80%0.00433%0.334CS..EExtended strand (participates in β ladder)trans-127.799.2174.2-174.7-125.9000110.9V69 E70 T71 A72 C75 I93 K101 Y104V69-Y117 VanDerWaalsContact O-CE2 3.27Å; V69-Y117 WeakPolarHBondContact O-CE2 3.29Å; V69-Y117 PolarHBondContact O-OH 2.79Å; E70-Y117 PolarHBondContact O-OH 3.01Å; T71-Y117 PolarHBondContact N-OH 3.35Å; A72-Y117 HydrophobicContact CB-CD1 3.61Å; A72-Y117 HydrophobicContact CB-CE1 3.84Å; A72-Y117 HydrophobicContact CB-CG 4.43Å; C75-Y117 HydrophobicContact CB-CD2 3.94Å; C75-Y117 HydrophobicContact CB-CG 4.32Å; I93-Y117 HydrophobicContact CB-CD1 3.94Å; I93-Y117 HydrophobicContact CB-CE1 4.41Å; I93-Y117 HydrophobicContact CD1-CD1 4.09Å; I93-Y117 HydrophobicContact CD1-CE1 3.8Å; I93-Y117 HydrophobicContact CG1-CD1 4.49Å; I93-Y117 HydrophobicContact CG2-CD1 4Å; I93-Y117 HydrophobicContact CG2-CE1 4.19Å; K101-Y117 WeakPolarHBondContact CB-OH 3.44Å; Y104-Y117 VanDerWaalsContact CB-CE2 3.47Å; Y104-Y117 HydrophobicContact CD1-CD1 4.02Å; Y104-Y117 HydrophobicContact CD1-CD2 4.23Å; Y104-Y117 AromaticContact CD1-CE1 3.83Å; Y104-Y117 HydrophobicContact CD1-CE1 3.83Å; Y104-Y117 HydrophobicContact CD1-CE2 4.02Å; Y104-Y117 HydrophobicContact CD1-CG 4.21Å; Y104-Y117 AromaticContact CD1-CZ 3.83Å; Y104-Y117 HydrophobicContact CG-CE1 4.42Å; Y104-Y117 HydrophobicContact CG-CE2 4.18Å
118N83.5Confident78.5Confident19 Ų1973.7 Ų73.710%0.10234%0.344CS..EExtended strand (participates in β ladder)trans-135.7152.2-165.4-72.9-36.7000112.5Y104 R105Y104-N118 WeakPolarHBondContact CA-O 3.49Å; R105-N118 PolarHBondContact N-O 3.23Å; R105-N118 PolarHBondContact O-N 2.98Å; R105-N118 VanDerWaalsContact O-N 3.15Å
119P81.3Confident77.8Confident52 Ų5277.6 Ų77.634%0.33836%0.363SS..EExtended strand (participates in β ladder)trans-66.3138.5178.426.6-32.9000111.4N103 Y104 R105N103-P119 CarbonylContact O-C 3.52Å; N103-P119 WeakPolarHBondContact O-CA 3.48Å; Y104-P119 HydrophobicContact CD2-CB 4.02Å; Y104-P119 HydrophobicContact CE1-CB 4.31Å; Y104-P119 HydrophobicContact CE1-CG 4.44Å; Y104-P119 HydrophobicContact CE2-CB 3.59Å; Y104-P119 HydrophobicContact CE2-CG 4.4Å; R105-P119 PolarHBondContact NH1-O 3.36Å
120L78Confident77.4Confident13 Ų1379.9 Ų79.97%0.06837%0.374CS..PPolyproline II helixtrans-55.3140.1164.6-71.2-177.1000110.8F47 I68 N103 R105 I126F47-L120 HydrophobicContact CB-CD1 4.13Å; F47-L120 HydrophobicContact CB-CD2 4.48Å; F47-L120 HydrophobicContact CD1-CD2 4.28Å; F47-L120 HydrophobicContact CD2-CD1 4.33Å; F47-L120 HydrophobicContact CD2-CD2 3.33Å; F47-L120 HydrophobicContact CD2-CG 4.5Å; F47-L120 HydrophobicContact CE1-CD2 4.4Å; F47-L120 HydrophobicContact CE2-CD2 3.49Å; F47-L120 VanDerWaalsContact CE2-CD2 3.49Å; F47-L120 HydrophobicContact CG-CD1 4.29Å; F47-L120 HydrophobicContact CG-CD2 3.77Å; F47-L120 HydrophobicContact CZ-CD2 4.04Å; I68-L120 HydrophobicContact CD1-CD1 3.44Å; I68-L120 VanDerWaalsContact CD1-CD1 3.44Å; I68-L120 HydrophobicContact CD1-CG 4.26Å; N103-L120 WeakPolarHBondContact O-CB 3.29Å; N103-L120 PolarHBondContact O-N 3.37Å; R105-L120 HydrophobicContact CB-CD2 3.87Å; R105-L120 HydrophobicContact CG-CD2 4Å; R105-L120 VanDerWaalsContact NH1-CA 3.31Å; L120-I126 HydrophobicContact CD1-CD1 4.4Å; L120-I126 HydrophobicContact CD1-CG1 4.08Å
121P70.4Confident77Confident30 Ų3079.4 Ų79.420%0.19537%0.372CS..PPolyproline II helixtrans-55143168.8-18.227.2000110.3I37 Y40 Y123 H124I37-P121 HydrophobicContact CD1-CG 4.25Å; I37-P121 HydrophobicContact CG1-CB 4.31Å; I37-P121 HydrophobicContact CG1-CG 3.68Å; Y40-P121 HydrophobicContact CD2-CG 4.5Å; P121-Y123 PolarHBondContact O-N 3.04Å; P121-H124 PolarHBondContact O-N 3.39Å
122R64.3Low76.7Confident242 Ų24276.3 Ų76.391%0.91335%0.352SS*.THydrogen-bonded Turntrans-54.4-23.7-172-75.3-171.6-88.6-159.4-4.9115
123Y63.5Low76.3Confident213 Ų21372.3 Ų72.384%0.83534%0.34SS*.THydrogen-bonded Turntrans-96.62-176.1-57.2-68000114.3P121 N125P121-Y123 PolarHBondContact O-N 3.04Å; Y123-N125 PolarHBondContact O-N 3.07Å
124H66.9Low75.4Confident43 Ų4370.4 Ų70.420%0.19933%0.331CS..PPolyproline II helixtrans-81.1119.3173-83.8-70.6000111.1Y40 P121Y40-H124 VanDerWaalsContact CB-CE1 3.42Å; Y40-H124 WeakPolarHBondContact CB-CE1 3.44Å; Y40-H124 WeakPolarHBondContact CB-NE2 3.32Å; Y40-H124 AromaticContact CD2-NE2 3.55Å; Y40-H124 AromaticContact CG-CE1 3.99Å; Y40-H124 AromaticContact CG-NE2 3.78Å; P121-H124 PolarHBondContact O-N 3.39Å
125N64.7Low74.5Confident131 Ų13173.8 Ų73.870%0.70135%0.345SS*.PPolyproline II helixtrans-76.7138.2166.7-67.2-30.9000109.5Y123Y123-N125 PolarHBondContact O-N 3.07Å
126I63.6Low73.3Confident73 Ų7380 Ų8037%0.37437%0.374SS..PPolyproline II helixtrans-89.2122.9169.8-59.5165.9000106.5F47 S48 K49 I68 R102 L120F47-I126 VanDerWaalsContact O-CA 3.31Å; F47-I126 WeakPolarHBondContact O-CA 3.23Å; S48-I126 VanDerWaalsContact C-CG2 3.49Å; K49-I126 HydrophobicContact CB-CG2 4.48Å; K49-I126 VanDerWaalsContact N-CG2 3.31Å; I68-I126 HydrophobicContact CD1-CD1 3.9Å; I68-I126 HydrophobicContact CD1-CG1 4.15Å; I68-I126 HydrophobicContact CG1-CD1 3.95Å; I68-I126 HydrophobicContact CG1-CG1 4.29Å; I68-I126 HydrophobicContact CG1-CG2 4.2Å; R102-I126 WeakPolarHBondContact O-CD1 3.35Å; L120-I126 HydrophobicContact CD1-CD1 4.4Å; L120-I126 HydrophobicContact CD1-CG1 4.08Å
127N67.6Low72Confident132 Ų13286.3 Ų86.371%0.70640%0.403SS*.  trans-80.20176.1-73-6000112.5K46 F47 S48 K49K46-N127 WeakPolarHBondContact CD-ND2 3.41Å; F47-N127 PolarHBondContact O-N 3.36Å; S48-N127 WeakPolarHBondContact CA-O 3.33Å; K49-N127 PolarHBondContact N-O 3.18Å

Retrieved 127 of 127 residues in 89.1 ms (Link to these results)

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