A0A3Q0KTK8_SCHMA Loading...

Nuclear transcription factor Y subunit gamma

Component of the sequence-specific heterotrimeric transcription factor (NF-Y) which specifically recognizes a 5'-CCAAT-3' box motif found in the promoters of its target genes. NF-Y can function as both an activator and a repressor, depending on its interacting cofactors.

AlphaFold DB , UniProt , Accession A0A3Q0KTK8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 367 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
1M44.8Very low60Low207 Ų207111.6 Ų111.6100%1.0261%0.605SS**  078.60-77.8-73.8-164.600105.4Y3M1-Y3 HydrophobicContact CB-CD2 4.45Å; M1-Y3 HydrophobicContact CB-CE2 4.24Å; M1-Y3 PolarHBondContact O-N 2.97Å; M1-Y3 VanDerWaalsContact O-N 3.14Å
2D47.5Very low61.8Low165 Ų165111.8 Ų111.888%0.88260%0.599SS**  trans-78.496.3178.2-64.1-56.2000107.4S4D2-S4 PolarHBondContact O-N 3.27Å
3Y46.2Very low63.8Low205 Ų205109 Ų10980%0.80459%0.594SS**  trans-74.681.3167.5-77-89.6000107.6M1 S5M1-Y3 HydrophobicContact CB-CD2 4.45Å; M1-Y3 HydrophobicContact CB-CE2 4.24Å; M1-Y3 PolarHBondContact O-N 2.97Å; M1-Y3 VanDerWaalsContact O-N 3.14Å; Y3-S5 PolarHBondContact O-N 3.4Å
4S53.1Low65.5Low107 Ų107107.6 Ų107.675%0.74858%0.581SS**  trans-73.181.9154.8-87.10000106.8D2 D6D2-S4 PolarHBondContact O-N 3.27Å; S4-D6 PolarHBondContact O-N 3.36Å; S4-D6 VanDerWaalsContact O-N 3.1Å
5S52.8Low67Low75 Ų75101.5 Ų101.552%0.52455%0.548SS..  trans-64.6106.3161.637.10000106.7Y3Y3-S5 PolarHBondContact O-N 3.4Å
6D61.1Low68.5Low102 Ų102101.4 Ų101.455%0.54555%0.546SS..  trans-58122.2174-72.8-49.9000107.7S4 L8 T9 D10S4-D6 PolarHBondContact O-N 3.36Å; S4-D6 VanDerWaalsContact O-N 3.1Å; D6-L8 PolarHBondContact O-N 3.19Å; D6-T9 WeakPolarHBondContact O-CA 3.44Å; D6-T9 WeakPolarHBondContact O-CB 3.46Å; D6-T9 PolarHBondContact O-N 3.09Å; D6-D10 PolarHBondContact O-N 3.28Å
7P64.4Low69.9Low85 Ų85100.1 Ų100.155%0.55255%0.546SS*.Hα-helixtrans-60.5-20.7-175.323.9-34.4000112.6C11P7-C11 PolarHBondContact O-N 2.76Å; P7-C11 VanDerWaalsContact O-N 3.1Å
8L63.5Low71.2Confident116 Ų11696.2 Ų96.261%0.60752%0.523SS*.Hα-helixtrans-67-40.2171.9-73.3160.3000112D6 D10 C11 Q12D6-L8 PolarHBondContact O-N 3.19Å; L8-D10 VanDerWaalsContact C-N 3.34Å; L8-C11 WeakPolarHBondContact O-CB 3.46Å; L8-C11 PolarHBondContact O-N 3.06Å; L8-Q12 PolarHBondContact O-N 3.36Å; L8-Q12 VanDerWaalsContact O-N 3.12Å
9T71.5Confident72.4Confident83 Ų8395.3 Ų95.351%0.50951%0.512SS..Hα-helixtrans-67.4-38.7176.8-53.90000110.8D6 Q12 S13D6-T9 WeakPolarHBondContact O-CA 3.44Å; D6-T9 WeakPolarHBondContact O-CB 3.46Å; D6-T9 PolarHBondContact O-N 3.09Å; T9-Q12 PolarHBondContact O-N 3.4Å; T9-S13 WeakPolarHBondContact O-CB 3.45Å; T9-S13 PolarHBondContact O-N 3.19Å
10D77.3Confident73.5Confident67 Ų6795.1 Ų95.136%0.35851%0.51SS..Hα-helixtrans-66.5-37.3176.9-65.3-23000111.7D6 L8 Q14D6-D10 PolarHBondContact O-N 3.28Å; L8-D10 VanDerWaalsContact C-N 3.34Å; D10-Q14 WeakPolarHBondContact O-CB 3.39Å; D10-Q14 VanDerWaalsContact O-CG 3.29Å; D10-Q14 WeakPolarHBondContact O-CG 3.44Å; D10-Q14 PolarHBondContact O-N 3.34Å; D10-Q14 PolarHBondContact O-NE2 3.49Å
11C77.6Confident74.5Confident16 Ų1696 Ų9611%0.10851%0.514CS..Hα-helixtrans-59-53.4172.7173.60000111.5P7 L8 S13 Q14 M15 I86P7-C11 PolarHBondContact O-N 2.76Å; P7-C11 VanDerWaalsContact O-N 3.1Å; L8-C11 WeakPolarHBondContact O-CB 3.46Å; L8-C11 PolarHBondContact O-N 3.06Å; C11-S13 VanDerWaalsContact C-N 3.32Å; C11-S13 PolarHBondContact O-N 3.35Å; C11-Q14 PolarHBondContact O-N 3.26Å; C11-M15 PolarHBondContact O-N 3.17Å; C11-I86 HydrophobicContact CB-CD1 3.53Å; C11-I86 WeakPolarHBondContact SG-CD1 3.39Å
12Q82.3Confident76.8Confident114 Ų11486.3 Ų86.353%0.53347%0.467SS..Hα-helixtrans-63.7-40.6-177.5-172.2-178.987.800111.2L8 T9 Q14 M15 L16L8-Q12 PolarHBondContact O-N 3.36Å; L8-Q12 VanDerWaalsContact O-N 3.12Å; T9-Q12 PolarHBondContact O-N 3.4Å; Q12-Q14 PolarHBondContact O-N 2.91Å; Q12-M15 WeakPolarHBondContact O-CB 3.46Å; Q12-M15 PolarHBondContact O-N 3.47Å; Q12-L16 HydrophobicContact CG-CD1 4.38Å; Q12-L16 WeakPolarHBondContact O-CG 3.4Å; Q12-L16 PolarHBondContact O-N 3.24Å
13S87.4Confident78.9Confident75 Ų7586.1 Ų86.152%0.52445%0.454SS..Hα-helixtrans-62.6-41176-171.80000112.3T9 C11 M15 L16 S17T9-S13 WeakPolarHBondContact O-CB 3.45Å; T9-S13 PolarHBondContact O-N 3.19Å; C11-S13 VanDerWaalsContact C-N 3.32Å; C11-S13 PolarHBondContact O-N 3.35Å; S13-M15 VanDerWaalsContact C-N 3.31Å; S13-L16 PolarHBondContact O-N 2.94Å; S13-S17 WeakPolarHBondContact O-CB 3.32Å; S13-S17 PolarHBondContact O-N 3.24Å
14Q87.3Confident81.1Confident90 Ų9081.4 Ų81.442%0.42145%0.446SS..Hα-helixtrans-63.4-39.8174.5-76.5175.874.900111.4D10 C11 Q12 S17 F18D10-Q14 WeakPolarHBondContact O-CB 3.39Å; D10-Q14 VanDerWaalsContact O-CG 3.29Å; D10-Q14 WeakPolarHBondContact O-CG 3.44Å; D10-Q14 PolarHBondContact O-N 3.34Å; D10-Q14 PolarHBondContact O-NE2 3.49Å; C11-Q14 PolarHBondContact O-N 3.26Å; Q12-Q14 PolarHBondContact O-N 2.91Å; Q14-S17 PolarHBondContact O-N 2.95Å; Q14-F18 WeakPolarHBondContact O-CB 3.27Å; Q14-F18 PolarHBondContact O-N 3.28Å
15M88.8Confident82.8Confident16 Ų1679.7 Ų79.78%0.07943%0.426CS..Hα-helixtrans-64.8-44.2177.7-166.754.756.400112.4C11 Q12 S13 F18 W19 E79 L82 R83C11-M15 PolarHBondContact O-N 3.17Å; Q12-M15 WeakPolarHBondContact O-CB 3.46Å; Q12-M15 PolarHBondContact O-N 3.47Å; S13-M15 VanDerWaalsContact C-N 3.31Å; M15-F18 WeakPolarHBondContact O-CB 3.14Å; M15-F18 PolarHBondContact O-N 3.17Å; M15-F18 HydrophobicContact SD-CD1 4.15Å; M15-W19 VanDerWaalsContact O-CD1 3.22Å; M15-W19 PolarHBondContact O-N 3.26Å; M15-E79 HydrophobicContact CE-CG 4Å; M15-E79 HydrophobicContact SD-CG 3.64Å; M15-E79 VanDerWaalsContact SD-OE1 3.33Å; M15-L82 HydrophobicContact CE-CB 4.49Å; M15-L82 HydrophobicContact CE-CD2 4.05Å; M15-L82 HydrophobicContact CE-CG 4.44Å; M15-R83 HydrophobicContact CE-CG 3.33Å
16L90.4Very high84.5Confident100 Ų10079.8 Ų79.852%0.52442%0.42SS..Hα-helixtrans-62.7-47176.1-70172.6000111.1Q12 S13 F18 W19 D20Q12-L16 HydrophobicContact CG-CD1 4.38Å; Q12-L16 WeakPolarHBondContact O-CG 3.4Å; Q12-L16 PolarHBondContact O-N 3.24Å; S13-L16 PolarHBondContact O-N 2.94Å; L16-F18 VanDerWaalsContact C-N 3.29Å; L16-F18 PolarHBondContact O-N 3.49Å; L16-W19 PolarHBondContact O-N 3.24Å; L16-D20 PolarHBondContact O-N 3.01Å
17S92.9Very high85.8Confident78 Ų7881.6 Ų81.655%0.54543%0.429SS..Hα-helixtrans-61.5-37.4176.5-178.20000112.5S13 Q14 L21S13-S17 WeakPolarHBondContact O-CB 3.32Å; S13-S17 PolarHBondContact O-N 3.24Å; Q14-S17 PolarHBondContact O-N 2.95Å; S17-L21 WeakPolarHBondContact O-CB 3.4Å; S17-L21 PolarHBondContact O-N 3.29Å; S17-L21 VanDerWaalsContact O-N 3.08Å
18F93.3Very high86.7Confident31 Ų3180.3 Ų80.314%0.13643%0.432CS..Hα-helixtrans-61.5-50.5174.2166.7-103000110.6Q14 M15 L16 D20 L21 I22 R78 E79 L82Q14-F18 WeakPolarHBondContact O-CB 3.27Å; Q14-F18 PolarHBondContact O-N 3.28Å; M15-F18 WeakPolarHBondContact O-CB 3.14Å; M15-F18 PolarHBondContact O-N 3.17Å; M15-F18 HydrophobicContact SD-CD1 4.15Å; L16-F18 VanDerWaalsContact C-N 3.29Å; L16-F18 PolarHBondContact O-N 3.49Å; F18-D20 PolarHBondContact O-N 3.29Å; F18-L21 WeakPolarHBondContact O-CB 3.42Å; F18-L21 PolarHBondContact O-N 3.14Å; F18-I22 HydrophobicContact CD1-CG1 4.44Å; F18-I22 HydrophobicContact CD2-CG1 4.13Å; F18-I22 HydrophobicContact CE1-CG1 4.02Å; F18-I22 HydrophobicContact CE2-CD1 3.88Å; F18-I22 HydrophobicContact CE2-CG1 3.68Å; F18-I22 HydrophobicContact CG-CG1 4.5Å; F18-I22 HydrophobicContact CZ-CD1 4.08Å; F18-I22 HydrophobicContact CZ-CG1 3.62Å; F18-I22 WeakPolarHBondContact O-CG1 3.29Å; F18-I22 PolarHBondContact O-N 3.02Å; F18-R78 HydrophobicContact CE2-CB 4.04Å; F18-R78 HydrophobicContact CZ-CB 3.87Å; F18-E79 HydrophobicContact CE1-CB 4.01Å; F18-L82 HydrophobicContact CB-CD2 4.12Å; F18-L82 HydrophobicContact CG-CD2 4.37Å
19W94.1Very high87.4Confident79 Ų7978.6 Ų78.630%0.29942%0.423SS..Hα-helixtrans-66.2-34.9-179.4-80.9113.3000113.4M15 L16 I22 R23 E79M15-W19 VanDerWaalsContact O-CD1 3.22Å; M15-W19 PolarHBondContact O-N 3.26Å; L16-W19 PolarHBondContact O-N 3.24Å; W19-I22 HydrophobicContact CE3-CB 4.3Å; W19-I22 HydrophobicContact CE3-CG2 4.16Å; W19-I22 HydrophobicContact CZ3-CG2 4.13Å; W19-I22 PolarHBondContact O-N 3.32Å; W19-R23 VanDerWaalsContact O-CG 3.31Å; W19-R23 WeakPolarHBondContact O-CG 3.13Å; W19-R23 PolarHBondContact O-N 3.2Å; W19-E79 VanDerWaalsContact CZ2-OE2 3.31Å; W19-E79 WeakPolarHBondContact CZ2-OE2 3.39Å; W19-E79 PolarHBondContact NE1-OE1 3.5Å; W19-E79 VanDerWaalsContact NE1-OE1 3.08Å
20D94.6Very high87.2Confident91 Ų9181.8 Ų81.849%0.48743%0.43SS..Hα-helixtrans-63.6-42.4173-72.7-26.8000111.4L16 F18 R23 V24L16-D20 PolarHBondContact O-N 3.01Å; F18-D20 PolarHBondContact O-N 3.29Å; D20-R23 PolarHBondContact O-N 3.03Å; D20-V24 WeakPolarHBondContact O-CG2 3.42Å; D20-V24 PolarHBondContact O-N 3.29Å; D20-V24 VanDerWaalsContact O-N 3.16Å
21L93.7Very high86.6Confident114 Ų11484.1 Ų84.160%0.59745%0.45SS*.Hα-helixtrans-62.4-45.3174.7-178.266.9000111.5S17 F18 R23 V24 E25S17-L21 WeakPolarHBondContact O-CB 3.4Å; S17-L21 PolarHBondContact O-N 3.29Å; S17-L21 VanDerWaalsContact O-N 3.08Å; F18-L21 WeakPolarHBondContact O-CB 3.42Å; F18-L21 PolarHBondContact O-N 3.14Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.17Å; L21-V24 PolarHBondContact O-N 3Å; L21-E25 PolarHBondContact O-N 3.2Å
22I93.1Very high85.9Confident4 Ų487.9 Ų87.92%0.02147%0.469CS..Hα-helixtrans-62.6-37.6178.2-68.5-52.7000111.5F18 W19 E25 I26 L75F18-I22 HydrophobicContact CD1-CG1 4.44Å; F18-I22 HydrophobicContact CD2-CG1 4.13Å; F18-I22 HydrophobicContact CE1-CG1 4.02Å; F18-I22 HydrophobicContact CE2-CD1 3.88Å; F18-I22 HydrophobicContact CE2-CG1 3.68Å; F18-I22 HydrophobicContact CG-CG1 4.5Å; F18-I22 HydrophobicContact CZ-CD1 4.08Å; F18-I22 HydrophobicContact CZ-CG1 3.62Å; F18-I22 WeakPolarHBondContact O-CG1 3.29Å; F18-I22 PolarHBondContact O-N 3.02Å; W19-I22 HydrophobicContact CE3-CB 4.3Å; W19-I22 HydrophobicContact CE3-CG2 4.16Å; W19-I22 HydrophobicContact CZ3-CG2 4.13Å; W19-I22 PolarHBondContact O-N 3.32Å; I22-E25 WeakPolarHBondContact O-CB 3.31Å; I22-E25 PolarHBondContact O-N 3.25Å; I22-I26 HydrophobicContact CG2-CD1 3.59Å; I22-I26 HydrophobicContact CG2-CG1 4.21Å; I22-I26 WeakPolarHBondContact O-CB 3.28Å; I22-I26 VanDerWaalsContact O-CG1 3.23Å; I22-I26 WeakPolarHBondContact O-CG1 3.4Å; I22-I26 PolarHBondContact O-N 2.97Å; I22-L75 HydrophobicContact CB-CD2 4.44Å; I22-L75 HydrophobicContact CD1-CD2 3.49Å; I22-L75 VanDerWaalsContact CD1-CD2 3.49Å; I22-L75 HydrophobicContact CG1-CD2 3.86Å; I22-L75 HydrophobicContact CG2-CD1 3.83Å; I22-L75 HydrophobicContact CG2-CD2 3.67Å; I22-L75 HydrophobicContact CG2-CG 4.4Å
23R92.5Very high84.9Confident161 Ų16190.2 Ų90.261%0.60848%0.48SS*.Hα-helixtrans-61.7-47.6175.3-75.8173.5-176.6-169.72.6111.6W19 D20 L21 E25 I26 D27W19-R23 VanDerWaalsContact O-CG 3.31Å; W19-R23 WeakPolarHBondContact O-CG 3.13Å; W19-R23 PolarHBondContact O-N 3.2Å; D20-R23 PolarHBondContact O-N 3.03Å; L21-R23 VanDerWaalsContact C-N 3.31Å; L21-R23 PolarHBondContact O-N 3.17Å; R23-E25 VanDerWaalsContact C-N 3.3Å; R23-E25 PolarHBondContact O-N 3.47Å; R23-I26 PolarHBondContact O-N 3.06Å; R23-D27 VanDerWaalsContact O-CG 3.3Å; R23-D27 PolarHBondContact O-N 3.09Å
24V92.4Very high83.7Confident105 Ų10590 Ų9064%0.63648%0.483SS*.Hα-helixtrans-62.2-39.6176.1176.40000111.3D20 L21 G28D20-V24 WeakPolarHBondContact O-CG2 3.42Å; D20-V24 PolarHBondContact O-N 3.29Å; D20-V24 VanDerWaalsContact O-N 3.16Å; L21-V24 PolarHBondContact O-N 3Å; V24-G28 PolarHBondContact O-N 3.41Å; V24-G28 VanDerWaalsContact O-N 3.12Å
25E88.4Confident82.5Confident72 Ų7287.8 Ų87.834%0.33648%0.479SS..Hα-helixtrans-60.7-48.6174.9-173.6-171.614100111L21 I22 R23 G28 L29 K71L21-E25 PolarHBondContact O-N 3.2Å; I22-E25 WeakPolarHBondContact O-CB 3.31Å; I22-E25 PolarHBondContact O-N 3.25Å; R23-E25 VanDerWaalsContact C-N 3.3Å; R23-E25 PolarHBondContact O-N 3.47Å; E25-G28 PolarHBondContact O-N 3.5Å; E25-G28 VanDerWaalsContact O-N 3.15Å; E25-L29 WeakPolarHBondContact O-CG 3.13Å; E25-L29 PolarHBondContact O-N 3.49Å; E25-K71 IonicContact OE1-NZ 2.85Å; E25-K71 PolarHBondContact OE1-NZ 3.32Å
26I88.1Confident81.6Confident76 Ų7690.3 Ų90.339%0.3949%0.49SS..Hα-helixtrans-63.6-42.7-179.2-70.4168.9000111.3I22 R23 G28 L29 L75I22-I26 HydrophobicContact CG2-CD1 3.59Å; I22-I26 HydrophobicContact CG2-CG1 4.21Å; I22-I26 WeakPolarHBondContact O-CB 3.28Å; I22-I26 VanDerWaalsContact O-CG1 3.23Å; I22-I26 WeakPolarHBondContact O-CG1 3.4Å; I22-I26 PolarHBondContact O-N 2.97Å; R23-I26 PolarHBondContact O-N 3.06Å; I26-G28 PolarHBondContact O-N 3.37Å; I26-L29 HydrophobicContact CG1-CD1 4.4Å; I26-L29 WeakPolarHBondContact O-CB 3.31Å; I26-L29 PolarHBondContact O-N 2.88Å; I26-L29 VanDerWaalsContact O-N 3.13Å; I26-L75 HydrophobicContact CD1-CD1 4.25Å
27D87.8Confident80.5Confident140 Ų14091.3 Ų91.375%0.74949%0.49SS*.Hα-helixtrans-64.9-26.6177-69.9-21.1000112.2R23R23-D27 VanDerWaalsContact O-CG 3.3Å; R23-D27 PolarHBondContact O-N 3.09Å
28G83.4Confident79.6Confident59 Ų5993.1 Ų93.161%0.60850%0.498SS*.THydrogen-bonded Turntrans-83.8-9.3175.700000115V24 E25 I26 K30V24-G28 PolarHBondContact O-N 3.41Å; V24-G28 VanDerWaalsContact O-N 3.12Å; E25-G28 PolarHBondContact O-N 3.5Å; E25-G28 VanDerWaalsContact O-N 3.15Å; I26-G28 PolarHBondContact O-N 3.37Å; G28-K30 PolarHBondContact O-N 3.24Å; G28-K30 VanDerWaalsContact O-N 3.17Å
29L78.4Confident79Confident79 Ų7993.8 Ų93.841%0.41450%0.501SS..  trans-68.4114.4179.4-69.6171.5000109.8E25 I26 C31E25-L29 WeakPolarHBondContact O-CG 3.13Å; E25-L29 PolarHBondContact O-N 3.49Å; I26-L29 HydrophobicContact CG1-CD1 4.4Å; I26-L29 WeakPolarHBondContact O-CB 3.31Å; I26-L29 PolarHBondContact O-N 2.88Å; I26-L29 VanDerWaalsContact O-N 3.13Å; L29-C31 PolarHBondContact O-N 2.88Å
30K68.4Low78.7Confident151 Ų15196 Ų9666%0.65752%0.52SS*.  trans-63.5137.3172.4-66.2-178.5178.9176.90109.4G28 D32G28-K30 PolarHBondContact O-N 3.24Å; G28-K30 VanDerWaalsContact O-N 3.17Å; K30-D32 HydrophobicContact CB-CB 4.4Å; K30-D32 PolarHBondContact O-N 3.48Å
31C63Low78.5Confident115 Ų11594.4 Ų94.478%0.77751%0.511SS*.  trans-70.425.8173.3-157.50000112.7L29 H33L29-C31 PolarHBondContact O-N 2.88Å; C31-H33 PolarHBondContact O-N 2.84Å
32D63Low78.5Confident96 Ų9693 Ų9351%0.51351%0.508SS..  trans-80.3123.1178.6-67.7-26.9000108.1K30 A34 A35K30-D32 HydrophobicContact CB-CB 4.4Å; K30-D32 PolarHBondContact O-N 3.48Å; D32-A34 PolarHBondContact O-N 3.03Å; D32-A35 WeakPolarHBondContact O-CB 3.44Å; D32-A35 PolarHBondContact O-N 3.09Å
33H61.8Low78.5Confident163 Ų16395.8 Ų95.876%0.75552%0.523SS*.THydrogen-bonded Turntrans-51.8-21.1177.8-68.2-67.5000114C31C31-H33 PolarHBondContact O-N 2.84Å
34A62.5Low78.5Confident71 Ų7191.4 Ų91.459%0.58752%0.521SS*.THydrogen-bonded Turntrans-67.1-34.7174.700000113.3D32 F36 K37D32-A34 PolarHBondContact O-N 3.03Å; A34-F36 PolarHBondContact O-N 3.18Å; A34-K37 PolarHBondContact O-N 3.42Å; A34-K37 VanDerWaalsContact O-N 3.13Å
35A62.3Low78.7Confident42 Ų4293.8 Ų93.835%0.34752%0.519SS..THydrogen-bonded Turntrans-62.7-29.9-179.300000112D32 Q39D32-A35 WeakPolarHBondContact O-CB 3.44Å; D32-A35 PolarHBondContact O-N 3.09Å; A35-Q39 PolarHBondContact O-NE2 3.46Å
36F69.5Low79.1Confident70 Ų7091.4 Ų91.431%0.30751%0.508SS..THydrogen-bonded Turntrans-87.1-8.8180-57.9-64.7000114.3A34 I67A34-F36 PolarHBondContact O-N 3.18Å; F36-I67 HydrophobicContact CB-CD1 4.1Å; F36-I67 HydrophobicContact CB-CG2 3.78Å; F36-I67 HydrophobicContact CD1-CG2 3.26Å; F36-I67 HydrophobicContact CE1-CG2 4.04Å; F36-I67 HydrophobicContact CG-CG2 3.73Å
37K66.8Low79.4Confident121 Ų12192.3 Ų92.353%0.52651%0.509SS..THydrogen-bonded Turntrans-75.5-28.5176.5-76.5-175.8169.8-172.50112.1A34 E356A34-K37 PolarHBondContact O-N 3.42Å; A34-K37 VanDerWaalsContact O-N 3.13Å; K37-E356 IonicContact NZ-OE1 2.74Å; K37-E356 PolarHBondContact NZ-OE1 3Å; K37-E356 IonicContact NZ-OE2 2.82Å; K37-E356 PolarHBondContact NZ-OE2 2.85Å
38T74Confident79.7Confident116 Ų11692.3 Ų92.371%0.71250%0.503SS*.  trans-106.596.3178.553.50000109.9
39Q82.1Confident80.3Confident44 Ų4493.8 Ų93.821%0.20650%0.496CS..  trans-115.4145.2173-59.4-65.2-66.900108.5A35 L41 L43 A70A35-Q39 PolarHBondContact O-NE2 3.46Å; Q39-L41 PolarHBondContact O-N 2.84Å; Q39-L43 HydrophobicContact CG-CD2 4.22Å; Q39-A70 HydrophobicContact CB-CB 3.98Å; Q39-A70 HydrophobicContact CG-CB 3.99Å
40D87.2Confident81.1Confident127 Ų12791.7 Ų91.768%0.67948%0.484SS*.SBendtrans-60.9-29.1177-72.6-27000111.9
41L91Very high82.3Confident57 Ų5788 Ų8830%0.29847%0.468SS..SBendtrans-105.1131.7-179.1-63173.4000111.3Q39 L43 I46 A73Q39-L41 PolarHBondContact O-N 2.84Å; L41-L43 PolarHBondContact O-N 3.35Å; L41-I46 HydrophobicContact CB-CD1 3.97Å; L41-A73 HydrophobicContact CD1-CB 3.52Å
42P93Very high83.8Confident85 Ų8588.8 Ų88.855%0.55246%0.464SS*.  trans-69.5119.3-177.924.3-31.2000112A44 R45 I46P42-A44 PolarHBondContact O-N 3.25Å; P42-A44 VanDerWaalsContact O-N 3.13Å; P42-R45 HydrophobicContact CB-CB 4.48Å; P42-R45 HydrophobicContact CG-CB 3.89Å; P42-R45 WeakPolarHBondContact O-CB 3.31Å; P42-R45 PolarHBondContact O-N 3.08Å; P42-I46 PolarHBondContact O-N 2.91Å
43L93Very high85.2Confident61 Ų6188.2 Ų88.232%0.31946%0.461SS..Hα-helixtrans-54.8-36.3-178-59.4-175.8000113.2Q39 L41 R45 I46 K47 P66 I67 A70Q39-L43 HydrophobicContact CG-CD2 4.22Å; L41-L43 PolarHBondContact O-N 3.35Å; L43-R45 VanDerWaalsContact C-N 3.28Å; L43-R45 PolarHBondContact O-N 3.24Å; L43-I46 HydrophobicContact CD2-CD1 4.38Å; L43-I46 PolarHBondContact O-N 2.82Å; L43-K47 WeakPolarHBondContact O-CB 3.47Å; L43-K47 PolarHBondContact O-N 2.74Å; L43-P66 HydrophobicContact CB-CB 4.42Å; L43-P66 HydrophobicContact CD2-CB 4.25Å; L43-I67 HydrophobicContact CD1-CG1 4.11Å; L43-I67 HydrophobicContact CD2-CG1 4.37Å; L43-A70 HydrophobicContact CD2-CB 4.05Å
44A93.3Very high86.5Confident70 Ų7086.2 Ų86.258%0.57946%0.456SS*.Hα-helixtrans-62.8-33.3177.400000112.7P42 K48P42-A44 PolarHBondContact O-N 3.25Å; P42-A44 VanDerWaalsContact O-N 3.13Å; A44-K48 WeakPolarHBondContact O-CG 3.33Å; A44-K48 PolarHBondContact O-N 3.36Å
45R96.4Very high87.6Confident154 Ų15489.6 Ų89.658%0.58146%0.464SS*.Hα-helixtrans-74.7-42.7177.1-17655.8171.5158-2.5111P42 L43 K48 I49P42-R45 HydrophobicContact CB-CB 4.48Å; P42-R45 HydrophobicContact CG-CB 3.89Å; P42-R45 WeakPolarHBondContact O-CB 3.31Å; P42-R45 PolarHBondContact O-N 3.08Å; L43-R45 VanDerWaalsContact C-N 3.28Å; L43-R45 PolarHBondContact O-N 3.24Å; R45-K48 WeakPolarHBondContact O-CB 3.39Å; R45-K48 PolarHBondContact O-N 2.91Å; R45-I49 HydrophobicContact CG-CD1 4.32Å; R45-I49 WeakPolarHBondContact O-CG1 3.43Å; R45-I49 PolarHBondContact O-N 2.98Å
46I95.7Very high88.7Confident23 Ų2390.1 Ų90.112%0.11846%0.46CS..Hα-helixtrans-57.6-50.8175.1-61.4170.9000109.7L41 P42 L43 K48 I49 M50 P66 F69 A70L41-I46 HydrophobicContact CB-CD1 3.97Å; P42-I46 PolarHBondContact O-N 2.91Å; L43-I46 HydrophobicContact CD2-CD1 4.38Å; L43-I46 PolarHBondContact O-N 2.82Å; I46-K48 VanDerWaalsContact C-N 3.28Å; I46-K48 PolarHBondContact O-N 3.34Å; I46-I49 PolarHBondContact O-N 3.05Å; I46-M50 HydrophobicContact CG2-SD 4.23Å; I46-M50 WeakPolarHBondContact O-CG 3.49Å; I46-M50 PolarHBondContact O-N 3.19Å; I46-P66 HydrophobicContact CG2-CB 4.35Å; I46-F69 HydrophobicContact CG2-CB 3.65Å; I46-F69 HydrophobicContact CG2-CG 4.43Å; I46-A70 HydrophobicContact CD1-CB 3.58Å
47K94Very high89.3Confident95 Ų9592.4 Ų92.441%0.41347%0.47SS..Hα-helixtrans-58.8-36177.4-172.7174.8-178172.40113.2L43 K51 I61 P66L43-K47 WeakPolarHBondContact O-CB 3.47Å; L43-K47 PolarHBondContact O-N 2.74Å; K47-K51 PolarHBondContact O-N 3.18Å; K47-I61 HydrophobicContact CG-CD1 4.23Å; K47-P66 HydrophobicContact CB-CG 4.42Å
48K94.9Very high90.1Very high140 Ų14092.8 Ų92.861%0.60949%0.486SS*.Hα-helixtrans-66.2-40.8174.6-79.3177.3-179.1-177.10112A44 R45 I46 K51 L52A44-K48 WeakPolarHBondContact O-CG 3.33Å; A44-K48 PolarHBondContact O-N 3.36Å; R45-K48 WeakPolarHBondContact O-CB 3.39Å; R45-K48 PolarHBondContact O-N 2.91Å; I46-K48 VanDerWaalsContact C-N 3.28Å; I46-K48 PolarHBondContact O-N 3.34Å; K48-K51 PolarHBondContact O-N 3.27Å; K48-L52 PolarHBondContact O-N 3.13Å
49I95.8Very high90.7Very high90 Ų9093.2 Ų93.246%0.46248%0.482SS..Hα-helixtrans-65.4-44.3177.1-66.2165.7000110.3R45 I46 K51 L52R45-I49 HydrophobicContact CG-CD1 4.32Å; R45-I49 WeakPolarHBondContact O-CG1 3.43Å; R45-I49 PolarHBondContact O-N 2.98Å; I46-I49 PolarHBondContact O-N 3.05Å; I49-K51 PolarHBondContact O-N 3.06Å; I49-L52 HydrophobicContact CG2-CD1 4.39Å; I49-L52 VanDerWaalsContact O-CB 3.27Å; I49-L52 WeakPolarHBondContact O-CB 3.47Å; I49-L52 WeakPolarHBondContact O-CG 3.23Å; I49-L52 PolarHBondContact O-N 3.26Å
50M95.2Very high91Very high34 Ų3499.6 Ų99.617%0.16751%0.514CS..Hα-helixtrans-58.3-31.7176.1-64.8175.273.200113I46 L52 I56 I61 A65 P66 F69I46-M50 HydrophobicContact CG2-SD 4.23Å; I46-M50 WeakPolarHBondContact O-CG 3.49Å; I46-M50 PolarHBondContact O-N 3.19Å; M50-L52 VanDerWaalsContact C-N 3.34Å; M50-I56 WeakPolarHBondContact O-CB 3.37Å; M50-I56 WeakPolarHBondContact O-CG2 3.44Å; M50-I61 HydrophobicContact CB-CD1 3.72Å; M50-I61 HydrophobicContact CE-CD1 4.15Å; M50-I61 HydrophobicContact CE-CG1 4.44Å; M50-I61 HydrophobicContact CE-CG2 3.58Å; M50-I61 HydrophobicContact SD-CD1 4.32Å; M50-I61 HydrophobicContact SD-CG2 4.13Å; M50-A65 HydrophobicContact CE-CB 4.05Å; M50-P66 HydrophobicContact SD-CG 4.36Å; M50-F69 HydrophobicContact CE-CD2 3.94Å; M50-F69 HydrophobicContact CE-CE2 3.7Å; M50-F69 HydrophobicContact CG-CD2 4.49Å; M50-F69 HydrophobicContact SD-CD2 3.83Å; M50-F69 HydrophobicContact SD-CE2 4.15Å
51K94.5Very high91Very high73 Ų7394.8 Ų94.832%0.31749%0.488SS..THydrogen-bonded Turntrans-87.34.5178-73.9-173.1166.2-103.70114.4K47 K48 I49 K57 M59 I61K47-K51 PolarHBondContact O-N 3.18Å; K48-K51 PolarHBondContact O-N 3.27Å; I49-K51 PolarHBondContact O-N 3.06Å; K51-K57 PolarHBondContact NZ-O 2.9Å; K51-M59 PolarHBondContact NZ-O 2.92Å; K51-I61 HydrophobicContact CD-CD1 4.42Å; K51-I61 HydrophobicContact CG-CD1 3.72Å
52L93.2Very high91.1Very high133 Ų13395.3 Ų95.370%0.69650%0.496SS*.THydrogen-bonded Turntrans-70.7-26.3169.9-66.1175.5000111.4K48 I49 M50K48-L52 PolarHBondContact O-N 3.13Å; I49-L52 HydrophobicContact CG2-CD1 4.39Å; I49-L52 VanDerWaalsContact O-CB 3.27Å; I49-L52 WeakPolarHBondContact O-CB 3.47Å; I49-L52 WeakPolarHBondContact O-CG 3.23Å; I49-L52 PolarHBondContact O-N 3.26Å; M50-L52 VanDerWaalsContact C-N 3.34Å
53D93Very high91Very high83 Ų8395.1 Ų95.144%0.44450%0.502SS..SBendtrans-73.1125172.6-166.7-26.6000110D55 I56 K57D53-D55 PolarHBondContact O-N 3.38Å; D53-D55 PolarHBondContact OD1-N 3.25Å; D53-I56 HydrophobicContact CB-CB 4.24Å; D53-I56 HydrophobicContact CB-CD1 4Å; D53-I56 HydrophobicContact CB-CG1 4.1Å; D53-I56 PolarHBondContact O-N 3.28Å; D53-K57 WeakPolarHBondContact O-CB 3.31Å; D53-K57 PolarHBondContact O-N 3.34Å
54D88.7Confident90.8Very high121 Ų12198.7 Ų98.765%0.64752%0.517SS*.Hα-helixtrans-61.1-33.3-176.6-76.7-40.9000111.9K57D54-K57 WeakPolarHBondContact O-CB 3.32Å; D54-K57 PolarHBondContact O-N 2.93Å
55D86.6Confident90.8Very high143 Ų14396.6 Ų96.677%0.76550%0.5SS*.Hα-helixtrans-70.5-33.7179.2-71.7-20.9000111.8D53D53-D55 PolarHBondContact O-N 3.38Å; D53-D55 PolarHBondContact OD1-N 3.25Å
56I85.7Confident90.6Very high52 Ų5289.7 Ų89.727%0.26748%0.475SS..Hα-helixtrans-86.6-24.4-179.3-57.2176.6000111.3M50 D53 C58 M59 I61M50-I56 WeakPolarHBondContact O-CB 3.37Å; M50-I56 WeakPolarHBondContact O-CG2 3.44Å; D53-I56 HydrophobicContact CB-CB 4.24Å; D53-I56 HydrophobicContact CB-CD1 4Å; D53-I56 HydrophobicContact CB-CG1 4.1Å; D53-I56 PolarHBondContact O-N 3.28Å; I56-C58 VanDerWaalsContact C-N 3.3Å; I56-C58 PolarHBondContact O-N 3.03Å; I56-M59 WeakPolarHBondContact O-CA 3.41Å; I56-M59 WeakPolarHBondContact O-CB 3.29Å; I56-M59 PolarHBondContact O-N 3.42Å; I56-I61 HydrophobicContact CG2-CD1 3.83Å; I56-I61 HydrophobicContact CG2-CG1 3.87Å
57K80.8Confident90.4Very high119 Ų11990.4 Ų90.452%0.51748%0.478SS..Hα-helixtrans-52.9-46.8-174.5-173.2173.2-176.8172.60112.8K51 D53 D54K51-K57 PolarHBondContact NZ-O 2.9Å; D53-K57 WeakPolarHBondContact O-CB 3.31Å; D53-K57 PolarHBondContact O-N 3.34Å; D54-K57 WeakPolarHBondContact O-CB 3.32Å; D54-K57 PolarHBondContact O-N 2.93Å
58C83.1Confident90.3Very high128 Ų12891.7 Ų91.787%0.86549%0.489SS*.THydrogen-bonded Turntrans-80-17.7177.9-68.30000113.2I56I56-C58 VanDerWaalsContact C-N 3.3Å; I56-C58 PolarHBondContact O-N 3.03Å
59M86.9Confident90.3Very high126 Ų12690.5 Ų90.562%0.62148%0.484SS*.SBendtrans-78.5149.2178.8-162.5-178.516600111.6K51 I56K51-M59 PolarHBondContact NZ-O 2.92Å; I56-M59 WeakPolarHBondContact O-CA 3.41Å; I56-M59 WeakPolarHBondContact O-CB 3.29Å; I56-M59 PolarHBondContact O-N 3.42Å
60M88.9Confident90.2Very high177 Ų17786.2 Ų86.287%0.87246%0.463SS*.PPolyproline II helixtrans-78.7129.8163.4-66.8-170.2176.500109.4
61I88.2Confident90.1Very high27 Ų2786.5 Ų86.514%0.13846%0.463CS..PPolyproline II helixtrans-94.7128175.2-60.7167.9000107.7K47 M50 K51 I56 A65 P66K47-I61 HydrophobicContact CG-CD1 4.23Å; M50-I61 HydrophobicContact CB-CD1 3.72Å; M50-I61 HydrophobicContact CE-CD1 4.15Å; M50-I61 HydrophobicContact CE-CG1 4.44Å; M50-I61 HydrophobicContact CE-CG2 3.58Å; M50-I61 HydrophobicContact SD-CD1 4.32Å; M50-I61 HydrophobicContact SD-CG2 4.13Å; K51-I61 HydrophobicContact CD-CD1 4.42Å; K51-I61 HydrophobicContact CG-CD1 3.72Å; I56-I61 HydrophobicContact CG2-CD1 3.83Å; I56-I61 HydrophobicContact CG2-CG1 3.87Å; I61-A65 HydrophobicContact CG2-CB 3.93Å; I61-P66 HydrophobicContact CG2-CG 4.29Å
62S92.8Very high90Very high68 Ų6885.4 Ų85.448%0.47647%0.467SS..PPolyproline II helixtrans-54.5146.7174-179.20000111.2E64 A65 P66S62-E64 PolarHBondContact O-N 2.86Å; S62-E64 PolarHBondContact OG-N 3.24Å; S62-A65 PolarHBondContact O-N 3.22Å; S62-P66 WeakPolarHBondContact O-CD 3.2Å
63A89.4Confident90.2Very high81 Ų8180.6 Ų80.667%0.66945%0.447SS*.THydrogen-bonded Turntrans-61.6-25178.100000112.9I67A63-I67 WeakPolarHBondContact O-CD1 3.46Å
64E90Very high90.2Very high135 Ų13577.8 Ų77.863%0.63143%0.431SS*.Hα-helixtrans-77.4-30.7-178.7-61.6173.1150.700112.8S62 I67 L68S62-E64 PolarHBondContact O-N 2.86Å; S62-E64 PolarHBondContact OG-N 3.24Å; E64-I67 WeakPolarHBondContact O-CB 3.39Å; E64-I67 PolarHBondContact O-N 3.43Å; E64-I67 VanDerWaalsContact O-N 3.14Å; E64-L68 PolarHBondContact O-N 3.13Å
65A92.9Very high90.4Very high27 Ų2772.8 Ų72.822%0.22340%0.404CS..Hα-helixtrans-63.7-45.9-173.700000113.1M50 I61 S62 I67 L68 F69M50-A65 HydrophobicContact CE-CB 4.05Å; I61-A65 HydrophobicContact CG2-CB 3.93Å; S62-A65 PolarHBondContact O-N 3.22Å; A65-I67 PolarHBondContact O-N 3.17Å; A65-L68 PolarHBondContact O-N 3.3Å; A65-F69 WeakPolarHBondContact O-CD2 3.44Å; A65-F69 PolarHBondContact O-N 3.15Å
66P93Very high90.8Very high9 Ų969 Ų696%0.05838%0.381CS..Hα-helixtrans-60.8-31.4174.3-2535.3000113.8L43 I46 K47 M50 I61 S62 A70L43-P66 HydrophobicContact CB-CB 4.42Å; L43-P66 HydrophobicContact CD2-CB 4.25Å; I46-P66 HydrophobicContact CG2-CB 4.35Å; K47-P66 HydrophobicContact CB-CG 4.42Å; M50-P66 HydrophobicContact SD-CG 4.36Å; I61-P66 HydrophobicContact CG2-CG 4.29Å; S62-P66 WeakPolarHBondContact O-CD 3.2Å; P66-A70 PolarHBondContact O-N 3Å
67I91.3Very high91.3Very high37 Ų3770.8 Ų70.819%0.1939%0.39CS..Hα-helixtrans-69-46.7178.8-61.5169.4000109.5F36 L43 A63 E64 A65 F69 A70 K71F36-I67 HydrophobicContact CB-CD1 4.1Å; F36-I67 HydrophobicContact CB-CG2 3.78Å; F36-I67 HydrophobicContact CD1-CG2 3.26Å; F36-I67 HydrophobicContact CE1-CG2 4.04Å; F36-I67 HydrophobicContact CG-CG2 3.73Å; L43-I67 HydrophobicContact CD1-CG1 4.11Å; L43-I67 HydrophobicContact CD2-CG1 4.37Å; A63-I67 WeakPolarHBondContact O-CD1 3.46Å; E64-I67 WeakPolarHBondContact O-CB 3.39Å; E64-I67 PolarHBondContact O-N 3.43Å; E64-I67 VanDerWaalsContact O-N 3.14Å; A65-I67 PolarHBondContact O-N 3.17Å; I67-F69 VanDerWaalsContact C-N 3.34Å; I67-F69 PolarHBondContact O-N 3.15Å; I67-A70 WeakPolarHBondContact O-CB 3.28Å; I67-A70 PolarHBondContact O-N 3.44Å; I67-K71 PolarHBondContact O-N 3.12Å
68L92.3Very high92Very high123 Ų12369.5 Ų69.564%0.64438%0.382SS*.Hα-helixtrans-60.8-43.7175.9-68174.1000111.7E64 A65 A70 K71 A72E64-L68 PolarHBondContact O-N 3.13Å; A65-L68 PolarHBondContact O-N 3.3Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.33Å; L68-K71 PolarHBondContact O-N 3.13Å; L68-A72 VanDerWaalsContact O-CB 3.29Å; L68-A72 WeakPolarHBondContact O-CB 3.46Å; L68-A72 PolarHBondContact O-N 3.09Å
69F95Very high92.5Very high114 Ų11463.6 Ų63.650%0.534%0.342SS..Hα-helixtrans-64.8-33176.2-85.9-64.3000113.1I46 M50 A65 I67 A73I46-F69 HydrophobicContact CG2-CB 3.65Å; I46-F69 HydrophobicContact CG2-CG 4.43Å; M50-F69 HydrophobicContact CE-CD2 3.94Å; M50-F69 HydrophobicContact CE-CE2 3.7Å; M50-F69 HydrophobicContact CG-CD2 4.49Å; M50-F69 HydrophobicContact SD-CD2 3.83Å; M50-F69 HydrophobicContact SD-CE2 4.15Å; A65-F69 WeakPolarHBondContact O-CD2 3.44Å; A65-F69 PolarHBondContact O-N 3.15Å; I67-F69 VanDerWaalsContact C-N 3.34Å; I67-F69 PolarHBondContact O-N 3.15Å; F69-A73 WeakPolarHBondContact O-CB 3.16Å; F69-A73 PolarHBondContact O-N 3.31Å
70A93.8Very high92.8Very high1 Ų158.7 Ų58.71%0.00832%0.318CS..Hα-helixtrans-61.2-49.9175.500000110.7Q39 L43 I46 P66 I67 L68 A73 E74Q39-A70 HydrophobicContact CB-CB 3.98Å; Q39-A70 HydrophobicContact CG-CB 3.99Å; L43-A70 HydrophobicContact CD2-CB 4.05Å; I46-A70 HydrophobicContact CD1-CB 3.58Å; P66-A70 PolarHBondContact O-N 3Å; I67-A70 WeakPolarHBondContact O-CB 3.28Å; I67-A70 PolarHBondContact O-N 3.44Å; L68-A70 VanDerWaalsContact C-N 3.31Å; L68-A70 PolarHBondContact O-N 3.33Å; A70-A73 PolarHBondContact O-N 2.84Å; A70-E74 WeakPolarHBondContact O-CB 3.44Å; A70-E74 PolarHBondContact O-N 3.44Å
71K91.6Very high93.1Very high39 Ų3953.4 Ų53.417%0.1730%0.296CS..Hα-helixtrans-67.8-42.1177.6-170.659.4174.1-176.70112.3E25 I67 L68 A73 E74 L75E25-K71 IonicContact OE1-NZ 2.85Å; E25-K71 PolarHBondContact OE1-NZ 3.32Å; I67-K71 PolarHBondContact O-N 3.12Å; L68-K71 PolarHBondContact O-N 3.13Å; K71-A73 VanDerWaalsContact C-N 3.34Å; K71-A73 PolarHBondContact O-N 3.24Å; K71-E74 WeakPolarHBondContact CD-OE2 3.41Å; K71-E74 IonicContact NZ-OE1 2.81Å; K71-E74 PolarHBondContact NZ-OE1 3.48Å; K71-E74 IonicContact NZ-OE2 3.57Å; K71-E74 WeakPolarHBondContact O-CB 3.37Å; K71-E74 PolarHBondContact O-N 3.13Å; K71-L75 HydrophobicContact CG-CD1 4.39Å; K71-L75 WeakPolarHBondContact O-CG 3.45Å; K71-L75 PolarHBondContact O-N 3.44Å
72A94Very high93.4Very high50 Ų5054.3 Ų54.341%0.41330%0.301SS..Hα-helixtrans-61.5-42.4177.400000111.9L68 L75 F76L68-A72 VanDerWaalsContact O-CB 3.29Å; L68-A72 WeakPolarHBondContact O-CB 3.46Å; L68-A72 PolarHBondContact O-N 3.09Å; A72-L75 PolarHBondContact O-N 3.02Å; A72-F76 WeakPolarHBondContact O-CB 3.25Å; A72-F76 PolarHBondContact O-N 3.25Å
73A96.3Very high93.3Very high32 Ų3252.4 Ų52.426%0.26428%0.283SS..Hα-helixtrans-67.6-38.4177.200000112.3L41 F69 A70 K71 F76 I77L41-A73 HydrophobicContact CD1-CB 3.52Å; F69-A73 WeakPolarHBondContact O-CB 3.16Å; F69-A73 PolarHBondContact O-N 3.31Å; A70-A73 PolarHBondContact O-N 2.84Å; K71-A73 VanDerWaalsContact C-N 3.34Å; K71-A73 PolarHBondContact O-N 3.24Å; A73-F76 PolarHBondContact O-N 3.17Å; A73-I77 WeakPolarHBondContact O-CB 3.21Å; A73-I77 WeakPolarHBondContact O-CD1 3.5Å; A73-I77 VanDerWaalsContact O-CG1 3.23Å; A73-I77 WeakPolarHBondContact O-CG1 3.35Å; A73-I77 PolarHBondContact O-N 3.2Å
74E93.4Very high93.5Very high25 Ų2548.6 Ų48.612%0.11725%0.251CS..Hα-helixtrans-57.1-50172178.6-165.4142.800111.2A70 K71 I77 R78A70-E74 WeakPolarHBondContact O-CB 3.44Å; A70-E74 PolarHBondContact O-N 3.44Å; K71-E74 WeakPolarHBondContact CD-OE2 3.41Å; K71-E74 IonicContact NZ-OE1 2.81Å; K71-E74 PolarHBondContact NZ-OE1 3.48Å; K71-E74 IonicContact NZ-OE2 3.57Å; K71-E74 WeakPolarHBondContact O-CB 3.37Å; K71-E74 PolarHBondContact O-N 3.13Å; E74-I77 PolarHBondContact O-N 2.76Å; E74-R78 VanDerWaalsContact CD-NH2 3.26Å; E74-R78 WeakPolarHBondContact O-CG 3.49Å; E74-R78 PolarHBondContact O-N 3.01Å; E74-R78 VanDerWaalsContact O-N 3.13Å; E74-R78 IonicContact OE1-CZ 3.49Å; E74-R78 IonicContact OE1-NH1 2.64Å; E74-R78 PolarHBondContact OE1-NH1 3.37Å; E74-R78 IonicContact OE1-NH2 3.01Å; E74-R78 PolarHBondContact OE1-NH2 3.12Å
75L93.5Very high93.7Very high15 Ų1547.2 Ų47.28%0.07924%0.241CC..Hα-helixtrans-65.1-43.3178.4-65178.7000112I22 I26 K71 A72 I77 R78 E79I22-L75 HydrophobicContact CB-CD2 4.44Å; I22-L75 HydrophobicContact CD1-CD2 3.49Å; I22-L75 VanDerWaalsContact CD1-CD2 3.49Å; I22-L75 HydrophobicContact CG1-CD2 3.86Å; I22-L75 HydrophobicContact CG2-CD1 3.83Å; I22-L75 HydrophobicContact CG2-CD2 3.67Å; I22-L75 HydrophobicContact CG2-CG 4.4Å; I26-L75 HydrophobicContact CD1-CD1 4.25Å; K71-L75 HydrophobicContact CG-CD1 4.39Å; K71-L75 WeakPolarHBondContact O-CG 3.45Å; K71-L75 PolarHBondContact O-N 3.44Å; A72-L75 PolarHBondContact O-N 3.02Å; L75-I77 PolarHBondContact O-N 3.34Å; L75-R78 PolarHBondContact O-N 3.06Å; L75-E79 WeakPolarHBondContact O-CB 3.23Å; L75-E79 PolarHBondContact O-N 3.47Å
76F95.2Very high93.7Very high64 Ų6447.4 Ų47.428%0.28124%0.237SC..Hα-helixtrans-59.8-46.2177.8172.2-101.8000112.2A72 A73 R78 E79 L80 F113 F115 L116A72-F76 WeakPolarHBondContact O-CB 3.25Å; A72-F76 PolarHBondContact O-N 3.25Å; A73-F76 PolarHBondContact O-N 3.17Å; F76-R78 VanDerWaalsContact C-N 3.33Å; F76-R78 PolarHBondContact O-N 2.99Å; F76-E79 PolarHBondContact O-N 2.9Å; F76-L80 HydrophobicContact CE1-CD2 4.14Å; F76-L80 HydrophobicContact CZ-CD2 3.98Å; F76-L80 VanDerWaalsContact O-CB 3.25Å; F76-L80 WeakPolarHBondContact O-CB 3.31Å; F76-L80 PolarHBondContact O-N 3.35Å; F76-F113 HydrophobicContact CD2-CE1 4.27Å; F76-F113 AromaticContact CE2-CD1 3.92Å; F76-F113 HydrophobicContact CE2-CD1 3.92Å; F76-F113 AromaticContact CE2-CE1 3.66Å; F76-F113 HydrophobicContact CE2-CE1 3.66Å; F76-F115 HydrophobicContact CE2-CE1 4.1Å; F76-F115 AromaticContact CE2-CZ 3.56Å; F76-F115 HydrophobicContact CE2-CZ 3.56Å; F76-F115 HydrophobicContact CZ-CE2 4.43Å; F76-F115 AromaticContact CZ-CZ 3.64Å; F76-F115 HydrophobicContact CZ-CZ 3.64Å; F76-L116 HydrophobicContact CZ-CD1 4.12Å
77I95.9Very high93.6Very high89 Ų8947.9 Ų47.946%0.45624%0.239SC..Hα-helixtrans-62.6-42.7177.6-69.3165.4000110.3A73 E74 L75 T81A73-I77 WeakPolarHBondContact O-CB 3.21Å; A73-I77 WeakPolarHBondContact O-CD1 3.5Å; A73-I77 VanDerWaalsContact O-CG1 3.23Å; A73-I77 WeakPolarHBondContact O-CG1 3.35Å; A73-I77 PolarHBondContact O-N 3.2Å; E74-I77 PolarHBondContact O-N 2.76Å; L75-I77 PolarHBondContact O-N 3.34Å; I77-T81 WeakPolarHBondContact O-CB 3.46Å; I77-T81 PolarHBondContact O-N 3.2Å; I77-T81 PolarHBondContact O-OG1 2.91Å
78R94.4Very high93.8Very high93 Ų9346.1 Ų46.135%0.35123%0.23SC..Hα-helixtrans-62.6-50.4178.2-73.6179.5-172.1153.110112.1F18 E74 L75 F76 T81 L82F18-R78 HydrophobicContact CE2-CB 4.04Å; F18-R78 HydrophobicContact CZ-CB 3.87Å; E74-R78 VanDerWaalsContact CD-NH2 3.26Å; E74-R78 WeakPolarHBondContact O-CG 3.49Å; E74-R78 PolarHBondContact O-N 3.01Å; E74-R78 VanDerWaalsContact O-N 3.13Å; E74-R78 IonicContact OE1-CZ 3.49Å; E74-R78 IonicContact OE1-NH1 2.64Å; E74-R78 PolarHBondContact OE1-NH1 3.37Å; E74-R78 IonicContact OE1-NH2 3.01Å; E74-R78 PolarHBondContact OE1-NH2 3.12Å; L75-R78 PolarHBondContact O-N 3.06Å; F76-R78 VanDerWaalsContact C-N 3.33Å; F76-R78 PolarHBondContact O-N 2.99Å; R78-T81 PolarHBondContact O-N 2.96Å; R78-L82 WeakPolarHBondContact O-CB 3.3Å; R78-L82 PolarHBondContact O-N 3.33Å
79E93.2Very high93.9Very high3 Ų346.3 Ų46.31%0.01423%0.227CC..Hα-helixtrans-59.1-50.9178.4171.9170.5-143.500111.2M15 F18 W19 L75 F76 T81 L82 R83 Q112 F113M15-E79 HydrophobicContact CE-CG 4Å; M15-E79 HydrophobicContact SD-CG 3.64Å; M15-E79 VanDerWaalsContact SD-OE1 3.33Å; F18-E79 HydrophobicContact CE1-CB 4.01Å; W19-E79 VanDerWaalsContact CZ2-OE2 3.31Å; W19-E79 WeakPolarHBondContact CZ2-OE2 3.39Å; W19-E79 PolarHBondContact NE1-OE1 3.5Å; W19-E79 VanDerWaalsContact NE1-OE1 3.08Å; L75-E79 WeakPolarHBondContact O-CB 3.23Å; L75-E79 PolarHBondContact O-N 3.47Å; F76-E79 PolarHBondContact O-N 2.9Å; E79-T81 VanDerWaalsContact C-N 3.29Å; E79-T81 PolarHBondContact O-N 2.88Å; E79-L82 PolarHBondContact O-N 3.44Å; E79-R83 WeakPolarHBondContact O-CG 3.17Å; E79-R83 PolarHBondContact O-N 3.16Å; E79-R83 IonicContact OE1-CZ 2.75Å; E79-R83 IonicContact OE1-NE 2.74Å; E79-R83 PolarHBondContact OE1-NE 3.28Å; E79-R83 IonicContact OE1-NH2 3.53Å; E79-R83 PolarHBondContact OE1-NH2 3.08Å; E79-Q112 PolarHBondContact OE2-NE2 3.43Å; E79-Q112 VanDerWaalsContact OE2-NE2 3.15Å; E79-F113 HydrophobicContact CG-CZ 4.29Å
80L93.9Very high93.7Very high24 Ų2449 Ų4913%0.12623%0.234CC..Hα-helixtrans-61.6-40.9-178.7-179.460.8000111.4F76 R83 A84 I101 V105 F113F76-L80 HydrophobicContact CE1-CD2 4.14Å; F76-L80 HydrophobicContact CZ-CD2 3.98Å; F76-L80 VanDerWaalsContact O-CB 3.25Å; F76-L80 WeakPolarHBondContact O-CB 3.31Å; F76-L80 PolarHBondContact O-N 3.35Å; L80-R83 PolarHBondContact O-N 3.37Å; L80-A84 WeakPolarHBondContact O-CB 3.01Å; L80-A84 PolarHBondContact O-N 2.98Å; L80-I101 HydrophobicContact CD1-CG2 4.42Å; L80-I101 HydrophobicContact CD2-CG2 4.34Å; L80-V105 HydrophobicContact CD1-CG2 3.78Å; L80-F113 HydrophobicContact CD1-CD1 4.39Å; L80-F113 HydrophobicContact CD1-CE1 4.2Å
81T94.9Very high93.7Very high66 Ų6652.4 Ų52.441%0.40525%0.252SS..Hα-helixtrans-66.2-39.2177.7-56.40000111.4I77 R78 E79 A84 W85 L96I77-T81 WeakPolarHBondContact O-CB 3.46Å; I77-T81 PolarHBondContact O-N 3.2Å; I77-T81 PolarHBondContact O-OG1 2.91Å; R78-T81 PolarHBondContact O-N 2.96Å; E79-T81 VanDerWaalsContact C-N 3.29Å; E79-T81 PolarHBondContact O-N 2.88Å; T81-A84 PolarHBondContact O-N 3.32Å; T81-W85 VanDerWaalsContact O-CB 3.28Å; T81-W85 WeakPolarHBondContact O-CB 3.42Å; T81-W85 PolarHBondContact O-N 3.18Å; T81-L96 HydrophobicContact CG2-CD1 4.06Å
82L93.6Very high93.8Very high46 Ų4661.9 Ų61.924%0.24129%0.287CS..Hα-helixtrans-63-44.5176.7-173.364.8000111.4M15 F18 R78 E79 W85 I86M15-L82 HydrophobicContact CE-CB 4.49Å; M15-L82 HydrophobicContact CE-CD2 4.05Å; M15-L82 HydrophobicContact CE-CG 4.44Å; F18-L82 HydrophobicContact CB-CD2 4.12Å; F18-L82 HydrophobicContact CG-CD2 4.37Å; R78-L82 WeakPolarHBondContact O-CB 3.3Å; R78-L82 PolarHBondContact O-N 3.33Å; E79-L82 PolarHBondContact O-N 3.44Å; L82-W85 WeakPolarHBondContact O-CB 3.36Å; L82-W85 PolarHBondContact O-N 3.21Å; L82-I86 PolarHBondContact O-N 3.08Å
83R92.3Very high93.9Very high28 Ų2862.1 Ų62.111%0.10628%0.277CS..Hα-helixtrans-62.3-45.8175.2-64.9-177.8-174.9-137.511.9111.8M15 E79 L80 W85 I86 A104 T110M15-R83 HydrophobicContact CE-CG 3.33Å; E79-R83 WeakPolarHBondContact O-CG 3.17Å; E79-R83 PolarHBondContact O-N 3.16Å; E79-R83 IonicContact OE1-CZ 2.75Å; E79-R83 IonicContact OE1-NE 2.74Å; E79-R83 PolarHBondContact OE1-NE 3.28Å; E79-R83 IonicContact OE1-NH2 3.53Å; E79-R83 PolarHBondContact OE1-NH2 3.08Å; L80-R83 PolarHBondContact O-N 3.37Å; R83-W85 VanDerWaalsContact C-N 3.29Å; R83-W85 PolarHBondContact O-N 2.89Å; R83-I86 PolarHBondContact O-N 3.31Å; R83-A104 HydrophobicContact CB-CB 3.84Å; R83-T110 PolarHBondContact NH1-OG1 2.95Å; R83-T110 VanDerWaalsContact NH1-OG1 3.09Å
84A93.3Very high93.8Very high0 Ų071.5 Ų71.50%031%0.306CS..Hα-helixtrans-66.1-30.617700000112.9L80 T81 I86 H87 T88 L96 D100 I101 A104L80-A84 WeakPolarHBondContact O-CB 3.01Å; L80-A84 PolarHBondContact O-N 2.98Å; T81-A84 PolarHBondContact O-N 3.32Å; A84-I86 VanDerWaalsContact C-N 3.3Å; A84-I86 PolarHBondContact O-N 3.01Å; A84-H87 PolarHBondContact O-N 3.48Å; A84-T88 PolarHBondContact O-N 3.25Å; A84-T88 PolarHBondContact O-OG1 2.93Å; A84-L96 HydrophobicContact CB-CD1 3.89Å; A84-D100 HydrophobicContact CB-CB 4.35Å; A84-D100 WeakPolarHBondContact O-CB 3.41Å; A84-I101 HydrophobicContact CB-CG1 4.05Å; A84-A104 HydrophobicContact CB-CB 4.1Å
85W94.6Very high94Very high107 Ų10775 Ų7541%0.40533%0.329SS..Hα-helixtrans-64.3-35.4179.9-171.3-102.5000112.5T81 L82 R83 H87 T88 E89 L96T81-W85 VanDerWaalsContact O-CB 3.28Å; T81-W85 WeakPolarHBondContact O-CB 3.42Å; T81-W85 PolarHBondContact O-N 3.18Å; L82-W85 WeakPolarHBondContact O-CB 3.36Å; L82-W85 PolarHBondContact O-N 3.21Å; R83-W85 VanDerWaalsContact C-N 3.29Å; R83-W85 PolarHBondContact O-N 2.89Å; W85-H87 VanDerWaalsContact C-N 3.28Å; W85-H87 PolarHBondContact O-N 2.91Å; W85-T88 HydrophobicContact CE3-CG2 4.28Å; W85-T88 HydrophobicContact CZ3-CG2 4.13Å; W85-T88 WeakPolarHBondContact O-CA 3.49Å; W85-T88 WeakPolarHBondContact O-CB 3.45Å; W85-T88 PolarHBondContact O-N 3.49Å; W85-E89 PolarHBondContact O-N 2.75Å; W85-L96 HydrophobicContact CE3-CB 4.27Å; W85-L96 HydrophobicContact CE3-CD1 4.12Å; W85-L96 HydrophobicContact CZ3-CB 4.25Å
86I92.4Very high94.2Very high31 Ų3177.1 Ų77.116%0.15934%0.34CS..Hα-helixtrans-59.8-40.2178.1-67.3158.4000111.2C11 L82 R83 A84 T88 E89 R90C11-I86 HydrophobicContact CB-CD1 3.53Å; C11-I86 WeakPolarHBondContact SG-CD1 3.39Å; L82-I86 PolarHBondContact O-N 3.08Å; R83-I86 PolarHBondContact O-N 3.31Å; A84-I86 VanDerWaalsContact C-N 3.3Å; A84-I86 PolarHBondContact O-N 3.01Å; I86-T88 VanDerWaalsContact C-N 3.33Å; I86-T88 PolarHBondContact O-N 3.32Å; I86-E89 PolarHBondContact O-N 2.74Å; I86-R90 WeakPolarHBondContact O-CB 3.44Å; I86-R90 PolarHBondContact O-N 3.49Å
87H91.8Very high94.2Very high19 Ų1978.1 Ų78.19%0.08835%0.345CS..Hα-helixtrans-67.4-34.8174.4-69.6-70.2000113.2A84 W85 N91 D100 M103 D107A84-H87 PolarHBondContact O-N 3.48Å; W85-H87 VanDerWaalsContact C-N 3.28Å; W85-H87 PolarHBondContact O-N 2.91Å; H87-N91 WeakPolarHBondContact O-CB 3.47Å; H87-N91 PolarHBondContact O-N 2.84Å; H87-N91 VanDerWaalsContact O-N 3.13Å; H87-N91 PolarHBondContact O-OD1 3.28Å; H87-D100 HydrophobicContact CB-CB 4.11Å; H87-M103 HydrophobicContact CB-CE 3.57Å; H87-D107 IonicContact CD2-OD2 3.82Å; H87-D107 IonicContact CE1-OD1 3.54Å; H87-D107 IonicContact CE1-OD2 3.35Å; H87-D107 PolarHBondContact CE1-OD2 3.3Å; H87-D107 IonicContact NE2-OD1 3.57Å; H87-D107 IonicContact NE2-OD2 2.66Å; H87-D107 PolarHBondContact NE2-OD2 3.12Å
88T94.4Very high94.1Very high0 Ų080.1 Ų80.10%035%0.347CS..Hα-helixtrans-62.6-46.5174.8-55.90000110.3A84 W85 I86 N91 R92 R93 T95 D100A84-T88 PolarHBondContact O-N 3.25Å; A84-T88 PolarHBondContact O-OG1 2.93Å; W85-T88 HydrophobicContact CE3-CG2 4.28Å; W85-T88 HydrophobicContact CZ3-CG2 4.13Å; W85-T88 WeakPolarHBondContact O-CA 3.49Å; W85-T88 WeakPolarHBondContact O-CB 3.45Å; W85-T88 PolarHBondContact O-N 3.49Å; I86-T88 VanDerWaalsContact C-N 3.33Å; I86-T88 PolarHBondContact O-N 3.32Å; T88-N91 PolarHBondContact O-N 2.93Å; T88-R92 PolarHBondContact O-N 3.4Å; T88-R93 HydrophobicContact CG2-CB 3.98Å; T88-R93 WeakPolarHBondContact CG2-O 3.38Å; T88-R93 PolarHBondContact O-N 2.64Å; T88-T95 WeakPolarHBondContact CG2-O 3.48Å; T88-D100 PolarHBondContact OG1-OD2 2.93Å; T88-D100 VanDerWaalsContact OG1-OD2 3.1Å
89E93.7Very high94.1Very high127 Ų12780 Ų8059%0.59335%0.354SS*.Hα-helixtrans-68.2-42.5179.2-173167.1-163.300112.2W85 I86 N91 R92W85-E89 PolarHBondContact O-N 2.75Å; I86-E89 PolarHBondContact O-N 2.74Å; E89-N91 PolarHBondContact O-N 3.16Å; E89-R92 WeakPolarHBondContact O-CA 3.44Å; E89-R92 PolarHBondContact O-N 2.85Å
90R90.9Very high94.1Very high170 Ų17079.9 Ų79.964%0.64235%0.353SS*.Hα-helixtrans-57.2-35.7174.7-165.5-175.378.793.5-1.5112I86 R92I86-R90 WeakPolarHBondContact O-CB 3.44Å; I86-R90 PolarHBondContact O-N 3.49Å; R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 PolarHBondContact O-N 2.81Å
91N93.4Very high94.1Very high72 Ų7281.2 Ų81.239%0.38536%0.36SS..THydrogen-bonded Turntrans-84.77.3177.1-71.433.8000113.5H87 T88 E89 R93H87-N91 WeakPolarHBondContact O-CB 3.47Å; H87-N91 PolarHBondContact O-N 2.84Å; H87-N91 VanDerWaalsContact O-N 3.13Å; H87-N91 PolarHBondContact O-OD1 3.28Å; T88-N91 PolarHBondContact O-N 2.93Å; E89-N91 PolarHBondContact O-N 3.16Å; N91-R93 HydrophobicContact CB-CG 4.48Å; N91-R93 VanDerWaalsContact CB-NH2 3.35Å; N91-R93 PolarHBondContact ND2-NH2 2.93Å; N91-R93 VanDerWaalsContact ND2-NH2 3.16Å; N91-R93 PolarHBondContact O-N 3.24Å
92R94.3Very high94.1Very high238 Ų23878.6 Ų78.690%0.89835%0.345SS*.THydrogen-bonded Turntrans55.232.9-177.3-56.1-176.2178.7-176.3-1.1113.2T88 E89 R90T88-R92 PolarHBondContact O-N 3.4Å; E89-R92 WeakPolarHBondContact O-CA 3.44Å; E89-R92 PolarHBondContact O-N 2.85Å; R90-R92 VanDerWaalsContact C-N 3.25Å; R90-R92 PolarHBondContact O-N 2.81Å
93R96Very high94Very high56 Ų5679.1 Ų79.121%0.21135%0.347CS..  trans-102.1157.1175.6-72.5-178.1-75101.3-3.2109.7T88 N91 T95 D100T88-R93 HydrophobicContact CG2-CB 3.98Å; T88-R93 WeakPolarHBondContact CG2-O 3.38Å; T88-R93 PolarHBondContact O-N 2.64Å; N91-R93 HydrophobicContact CB-CG 4.48Å; N91-R93 VanDerWaalsContact CB-NH2 3.35Å; N91-R93 PolarHBondContact ND2-NH2 2.93Å; N91-R93 VanDerWaalsContact ND2-NH2 3.16Å; N91-R93 PolarHBondContact O-N 3.24Å; R93-T95 PolarHBondContact NH1-O 2.93Å; R93-T95 VanDerWaalsContact NH1-O 3.17Å; R93-D100 IonicContact CZ-OD1 3.53Å; R93-D100 IonicContact CZ-OD2 3.55Å; R93-D100 IonicContact NH1-OD1 3.47Å; R93-D100 PolarHBondContact NH1-OD1 3.13Å; R93-D100 IonicContact NH1-OD2 2.73Å; R93-D100 PolarHBondContact NH1-OD2 2.73Å; R93-D100 IonicContact NH2-OD1 2.66Å; R93-D100 PolarHBondContact NH2-OD1 3.5Å; R93-D100 IonicContact NH2-OD2 3.45Å; R93-D100 PolarHBondContact NH2-OD2 3.23Å
94R95.4Very high93.9Very high229 Ų22977.9 Ų77.986%0.86434%0.342SS*.SBendtrans-114.47172.5-59.5-175.969.8-154.61112.4
95T97.2Very high93.8Very high98 Ų9878.1 Ų78.160%0.60134%0.344SS*.SBendtrans-122.5116.7-179.4-54.30000107.3T88 R93T88-T95 WeakPolarHBondContact CG2-O 3.48Å; R93-T95 PolarHBondContact NH1-O 2.93Å; R93-T95 VanDerWaalsContact NH1-O 3.17Å
96L96.9Very high93.6Very high59 Ų5975.6 Ų75.631%0.30934%0.342SS..  trans-70.4131.2175.2-175.4142000109.4T81 A84 W85 I101T81-L96 HydrophobicContact CG2-CD1 4.06Å; A84-L96 HydrophobicContact CB-CD1 3.89Å; W85-L96 HydrophobicContact CE3-CB 4.27Å; W85-L96 HydrophobicContact CE3-CD1 4.12Å; W85-L96 HydrophobicContact CZ3-CB 4.25Å; L96-I101 HydrophobicContact CD2-CD1 4.07Å; L96-I101 HydrophobicContact CD2-CG1 4.08Å
97Q95.6Very high93.1Very high85 Ų8576.9 Ų76.940%0.39735%0.349SS..  trans-117.2159.8-176.4-61.8-176.7-2100110.8N99 D100 I101Q97-N99 PolarHBondContact O-N 2.65Å; Q97-N99 VanDerWaalsContact O-N 3.16Å; Q97-D100 WeakPolarHBondContact CB-OD2 3.25Å; Q97-D100 PolarHBondContact N-OD2 3.23Å; Q97-D100 WeakPolarHBondContact O-CB 3.35Å; Q97-D100 PolarHBondContact O-N 2.93Å; Q97-I101 PolarHBondContact O-N 3.06Å
98R94.5Very high91.9Very high132 Ų13279.9 Ų79.950%0.49839%0.385SS..Hα-helixtrans-51.9-37.5172.8174.5-178.1167.2-73.7-18.1112.6D100 I101 A102 P121R98-D100 VanDerWaalsContact C-N 3.28Å; R98-D100 PolarHBondContact O-N 3.47Å; R98-I101 PolarHBondContact O-N 3.17Å; R98-A102 PolarHBondContact O-N 2.81Å; R98-A102 VanDerWaalsContact O-N 3.08Å; R98-P121 PolarHBondContact NH2-O 2.66Å
99N93.4Very high90.8Very high91 Ų9183.9 Ų83.949%0.48741%0.407SS..Hα-helixtrans-65.9-30.6179.2-66-26.1000112.5Q97 I101 A102 M103Q97-N99 PolarHBondContact O-N 2.65Å; Q97-N99 VanDerWaalsContact O-N 3.16Å; N99-I101 VanDerWaalsContact C-N 3.35Å; N99-A102 PolarHBondContact O-N 2.76Å; N99-M103 WeakPolarHBondContact O-CG 3.48Å; N99-M103 PolarHBondContact O-N 2.91Å
100D94Very high89.6Confident0 Ų080.2 Ų80.20%039%0.393CS..Hα-helixtrans-68-38.5177.1-57.9-46.6000111.4A84 H87 T88 R93 Q97 R98 M103 A104A84-D100 HydrophobicContact CB-CB 4.35Å; A84-D100 WeakPolarHBondContact O-CB 3.41Å; H87-D100 HydrophobicContact CB-CB 4.11Å; T88-D100 PolarHBondContact OG1-OD2 2.93Å; T88-D100 VanDerWaalsContact OG1-OD2 3.1Å; R93-D100 IonicContact CZ-OD1 3.53Å; R93-D100 IonicContact CZ-OD2 3.55Å; R93-D100 IonicContact NH1-OD1 3.47Å; R93-D100 PolarHBondContact NH1-OD1 3.13Å; R93-D100 IonicContact NH1-OD2 2.73Å; R93-D100 PolarHBondContact NH1-OD2 2.73Å; R93-D100 IonicContact NH2-OD1 2.66Å; R93-D100 PolarHBondContact NH2-OD1 3.5Å; R93-D100 IonicContact NH2-OD2 3.45Å; R93-D100 PolarHBondContact NH2-OD2 3.23Å; Q97-D100 WeakPolarHBondContact CB-OD2 3.25Å; Q97-D100 PolarHBondContact N-OD2 3.23Å; Q97-D100 WeakPolarHBondContact O-CB 3.35Å; Q97-D100 PolarHBondContact O-N 2.93Å; R98-D100 VanDerWaalsContact C-N 3.28Å; R98-D100 PolarHBondContact O-N 3.47Å; D100-M103 PolarHBondContact O-N 3.07Å; D100-M103 WeakPolarHBondContact OD1-CE 3.49Å; D100-A104 WeakPolarHBondContact O-CB 3.43Å; D100-A104 PolarHBondContact O-N 2.83Å
101I94.3Very high89.4Confident51 Ų5179 Ų7926%0.26240%0.399SS..Hα-helixtrans-64.9-44.3173.1-56.4173.1000110.1L80 A84 L96 Q97 R98 N99 M103 A104 V105L80-I101 HydrophobicContact CD1-CG2 4.42Å; L80-I101 HydrophobicContact CD2-CG2 4.34Å; A84-I101 HydrophobicContact CB-CG1 4.05Å; L96-I101 HydrophobicContact CD2-CD1 4.07Å; L96-I101 HydrophobicContact CD2-CG1 4.08Å; Q97-I101 PolarHBondContact O-N 3.06Å; R98-I101 PolarHBondContact O-N 3.17Å; N99-I101 VanDerWaalsContact C-N 3.35Å; I101-M103 VanDerWaalsContact C-N 3.3Å; I101-M103 PolarHBondContact O-N 2.99Å; I101-A104 PolarHBondContact O-N 2.97Å; I101-V105 HydrophobicContact CG2-CG2 4.22Å; I101-V105 WeakPolarHBondContact O-CB 3.37Å; I101-V105 VanDerWaalsContact O-CG2 3.3Å; I101-V105 WeakPolarHBondContact O-CG2 3.46Å; I101-V105 PolarHBondContact O-N 3.4Å
102A93.7Very high89.3Confident11 Ų1179.9 Ų79.99%0.09140%0.401CS..Hα-helixtrans-61.2-38.3178.500000112.7R98 N99 S106 V120R98-A102 PolarHBondContact O-N 2.81Å; R98-A102 VanDerWaalsContact O-N 3.08Å; N99-A102 PolarHBondContact O-N 2.76Å; A102-S106 VanDerWaalsContact O-CB 3.31Å; A102-S106 WeakPolarHBondContact O-CB 3.28Å; A102-S106 PolarHBondContact O-N 3.42Å; A102-S106 VanDerWaalsContact O-N 3.16Å; A102-S106 PolarHBondContact O-OG 3.47Å; A102-V120 HydrophobicContact CB-CG1 3.79Å
103M91.3Very high89.1Confident58 Ų5868.7 Ų68.729%0.28636%0.359SS..Hα-helixtrans-66.8-49.1173.1-68.8-175.4-66.400111.2H87 N99 D100 I101 V105 S106 D107H87-M103 HydrophobicContact CB-CE 3.57Å; N99-M103 WeakPolarHBondContact O-CG 3.48Å; N99-M103 PolarHBondContact O-N 2.91Å; D100-M103 PolarHBondContact O-N 3.07Å; D100-M103 WeakPolarHBondContact OD1-CE 3.49Å; I101-M103 VanDerWaalsContact C-N 3.3Å; I101-M103 PolarHBondContact O-N 2.99Å; M103-V105 VanDerWaalsContact C-N 3.28Å; M103-V105 PolarHBondContact O-N 2.95Å; M103-S106 CarbonylContact O-C 3.45Å; M103-S106 WeakPolarHBondContact O-CA 3.38Å; M103-S106 PolarHBondContact O-N 3.19Å; M103-D107 VanDerWaalsContact O-CG 3.26Å; M103-D107 PolarHBondContact O-N 3.47Å
104A91.1Very high88.9Confident1 Ų170.4 Ų70.41%0.00837%0.372CS..Hα-helixtrans-58.6-35.9178.500000114.2R83 A84 D100 I101 S106R83-A104 HydrophobicContact CB-CB 3.84Å; A84-A104 HydrophobicContact CB-CB 4.1Å; D100-A104 WeakPolarHBondContact O-CB 3.43Å; D100-A104 PolarHBondContact O-N 2.83Å; I101-A104 PolarHBondContact O-N 2.97Å; A104-S106 VanDerWaalsContact C-N 3.32Å
105V92.2Very high88.8Confident6 Ų665.8 Ų65.84%0.03636%0.359CS..Hα-helixtrans-75.7-22.4176.2168.40000112.1L80 I101 M103 F113 L116 R122L80-V105 HydrophobicContact CD1-CG2 3.78Å; I101-V105 HydrophobicContact CG2-CG2 4.22Å; I101-V105 WeakPolarHBondContact O-CB 3.37Å; I101-V105 VanDerWaalsContact O-CG2 3.3Å; I101-V105 WeakPolarHBondContact O-CG2 3.46Å; I101-V105 PolarHBondContact O-N 3.4Å; M103-V105 VanDerWaalsContact C-N 3.28Å; M103-V105 PolarHBondContact O-N 2.95Å; V105-F113 HydrophobicContact CB-CB 4.41Å; V105-F113 HydrophobicContact CG1-CB 4.05Å; V105-F113 HydrophobicContact CG2-CB 4.36Å; V105-L116 HydrophobicContact CG1-CB 3.92Å; V105-L116 HydrophobicContact CG1-CD1 4.29Å; V105-L116 HydrophobicContact CG2-CD1 3.75Å; V105-R122 VanDerWaalsContact CG1-NH2 3.3Å; V105-R122 PolarHBondContact O-NH2 3Å
106S88.9Confident88.6Confident53 Ų5362 Ų6237%0.37134%0.335SS..Hα-helixtrans-96.9-11.8178.4-54.50000113.8A102 M103 A104 G108 R122A102-S106 VanDerWaalsContact O-CB 3.31Å; A102-S106 WeakPolarHBondContact O-CB 3.28Å; A102-S106 PolarHBondContact O-N 3.42Å; A102-S106 VanDerWaalsContact O-N 3.16Å; A102-S106 PolarHBondContact O-OG 3.47Å; M103-S106 CarbonylContact O-C 3.45Å; M103-S106 WeakPolarHBondContact O-CA 3.38Å; M103-S106 PolarHBondContact O-N 3.19Å; A104-S106 VanDerWaalsContact C-N 3.32Å; S106-G108 PolarHBondContact O-N 2.83Å; S106-R122 WeakPolarHBondContact OG-CD 3.34Å; S106-R122 PolarHBondContact OG-NH1 2.99Å
107D81.6Confident88.2Confident58 Ų5862.8 Ų62.831%0.3134%0.339SS..  trans-60.5127.1177.7-75-22000109.7H87 M103 D109H87-D107 IonicContact CD2-OD2 3.82Å; H87-D107 IonicContact CE1-OD1 3.54Å; H87-D107 IonicContact CE1-OD2 3.35Å; H87-D107 PolarHBondContact CE1-OD2 3.3Å; H87-D107 IonicContact NE2-OD1 3.57Å; H87-D107 IonicContact NE2-OD2 2.66Å; H87-D107 PolarHBondContact NE2-OD2 3.12Å; M103-D107 VanDerWaalsContact O-CG 3.26Å; M103-D107 PolarHBondContact O-N 3.47Å; D107-D109 PolarHBondContact O-N 3.37Å
108G67.8Low88.1Confident82 Ų8265.7 Ų65.785%0.84536%0.357SS*.THydrogen-bonded Turntrans-74.311-16800000115.9S106 T110S106-G108 PolarHBondContact O-N 2.83Å; G108-T110 VanDerWaalsContact C-N 3.34Å
109D70.9Confident88Confident84 Ų8465.4 Ų65.445%0.44936%0.364SS..THydrogen-bonded Turntrans-72.7-29.5-175.5-67.7-17.5000112D107D107-D109 PolarHBondContact O-N 3.37Å
110T68.9Low87.8Confident50 Ų5062 Ų6231%0.30735%0.347SS..  trans-154.4130.5-178.251.40000111.5R83 G108 Q112R83-T110 PolarHBondContact NH1-OG1 2.95Å; R83-T110 VanDerWaalsContact NH1-OG1 3.09Å; G108-T110 VanDerWaalsContact C-N 3.34Å; T110-Q112 PolarHBondContact O-N 2.89Å; T110-Q112 VanDerWaalsContact O-N 3.13Å
111D86.2Confident87.3Confident144 Ų14466 Ų6677%0.7737%0.372SS*.G310 helixtrans-68.82167.960.4-20.7000113.4F113 D114D111-F113 PolarHBondContact O-N 3.22Å; D111-F113 VanDerWaalsContact O-N 3.09Å; D111-D114 VanDerWaalsContact O-CB 3.31Å; D111-D114 WeakPolarHBondContact O-CB 3.29Å; D111-D114 PolarHBondContact O-N 3.03Å
112Q90.4Very high86.4Confident91 Ų9167.3 Ų67.343%0.42537%0.374SS..G310 helixtrans-52.2-31.9177.7-175.9-177.6-23.900113.9E79 T110 F115E79-Q112 PolarHBondContact OE2-NE2 3.43Å; E79-Q112 VanDerWaalsContact OE2-NE2 3.15Å; T110-Q112 PolarHBondContact O-N 2.89Å; T110-Q112 VanDerWaalsContact O-N 3.13Å; Q112-F115 VanDerWaalsContact O-CD1 3.29Å; Q112-F115 WeakPolarHBondContact O-CD1 3.42Å; Q112-F115 WeakPolarHBondContact O-CE1 3.48Å
113F91.3Very high85Confident3 Ų375.7 Ų75.71%0.01341%0.411CS..G310 helixtrans-99.511.4-178.8-58.6-73.1000114.1F76 E79 L80 V105 D111 F115 L116F76-F113 HydrophobicContact CD2-CE1 4.27Å; F76-F113 AromaticContact CE2-CD1 3.92Å; F76-F113 HydrophobicContact CE2-CD1 3.92Å; F76-F113 AromaticContact CE2-CE1 3.66Å; F76-F113 HydrophobicContact CE2-CE1 3.66Å; E79-F113 HydrophobicContact CG-CZ 4.29Å; L80-F113 HydrophobicContact CD1-CD1 4.39Å; L80-F113 HydrophobicContact CD1-CE1 4.2Å; V105-F113 HydrophobicContact CB-CB 4.41Å; V105-F113 HydrophobicContact CG1-CB 4.05Å; V105-F113 HydrophobicContact CG2-CB 4.36Å; D111-F113 PolarHBondContact O-N 3.22Å; D111-F113 VanDerWaalsContact O-N 3.09Å; F113-F115 HydrophobicContact CD1-CE1 4.36Å; F113-F115 PolarHBondContact O-N 3.18Å; F113-L116 HydrophobicContact CB-CD1 4.29Å; F113-L116 HydrophobicContact CD1-CD1 4.13Å; F113-L116 WeakPolarHBondContact O-CB 3.35Å; F113-L116 PolarHBondContact O-N 3.03Å
114D91.2Very high83.3Confident92 Ų9280.7 Ų80.749%0.49243%0.434SS..G310 helixtrans-64-26.8-178.9-159.936.6000112.4D111 L116 I117D111-D114 VanDerWaalsContact O-CB 3.31Å; D111-D114 WeakPolarHBondContact O-CB 3.29Å; D111-D114 PolarHBondContact O-N 3.03Å; D114-L116 PolarHBondContact O-N 3.48Å; D114-I117 VanDerWaalsContact O-CG1 3.31Å; D114-I117 WeakPolarHBondContact O-CG1 3.32Å; D114-I117 VanDerWaalsContact O-CG2 3.28Å; D114-I117 WeakPolarHBondContact O-CG2 3.22Å; D114-I117 PolarHBondContact O-N 3.27Å; D114-I117 VanDerWaalsContact O-N 3.08Å; D114-I117 WeakPolarHBondContact OD1-CG2 3.41Å
115F93.2Very high81.6Confident132 Ų13285.2 Ų85.258%0.57947%0.471SS*.G310 helixtrans-60.4-10173.378.4-85.4000114.6F76 Q112 F113F76-F115 HydrophobicContact CE2-CE1 4.1Å; F76-F115 AromaticContact CE2-CZ 3.56Å; F76-F115 HydrophobicContact CE2-CZ 3.56Å; F76-F115 HydrophobicContact CZ-CE2 4.43Å; F76-F115 AromaticContact CZ-CZ 3.64Å; F76-F115 HydrophobicContact CZ-CZ 3.64Å; Q112-F115 VanDerWaalsContact O-CD1 3.29Å; Q112-F115 WeakPolarHBondContact O-CD1 3.42Å; Q112-F115 WeakPolarHBondContact O-CE1 3.48Å; F113-F115 HydrophobicContact CD1-CE1 4.36Å; F113-F115 PolarHBondContact O-N 3.18Å
116L93.6Very high79.3Confident18 Ų1896 Ų969%0.09451%0.511CS..G310 helixtrans-97.80.8178.9-62.4176.1000114.2F76 V105 F113 D114 D118 I119 V120F76-L116 HydrophobicContact CZ-CD1 4.12Å; V105-L116 HydrophobicContact CG1-CB 3.92Å; V105-L116 HydrophobicContact CG1-CD1 4.29Å; V105-L116 HydrophobicContact CG2-CD1 3.75Å; F113-L116 HydrophobicContact CB-CD1 4.29Å; F113-L116 HydrophobicContact CD1-CD1 4.13Å; F113-L116 WeakPolarHBondContact O-CB 3.35Å; F113-L116 PolarHBondContact O-N 3.03Å; D114-L116 PolarHBondContact O-N 3.48Å; L116-D118 PolarHBondContact O-N 3.37Å; L116-I119 PolarHBondContact O-N 3.37Å; L116-V120 HydrophobicContact CB-CG2 4.18Å; L116-V120 PolarHBondContact O-N 2.93Å
117I89.3Confident77.3Confident76 Ų7696.5 Ų96.539%0.3953%0.525SS..THydrogen-bonded Turntrans-52.7-40.3-177.555.1178.6000113.2D114 I119 R122D114-I117 VanDerWaalsContact O-CG1 3.31Å; D114-I117 WeakPolarHBondContact O-CG1 3.32Å; D114-I117 VanDerWaalsContact O-CG2 3.28Å; D114-I117 WeakPolarHBondContact O-CG2 3.22Å; D114-I117 PolarHBondContact O-N 3.27Å; D114-I117 VanDerWaalsContact O-N 3.08Å; D114-I117 WeakPolarHBondContact OD1-CG2 3.41Å; I117-I119 VanDerWaalsContact C-N 3.34Å; I117-R122 VanDerWaalsContact CG2-NH2 3.3Å
118D91.6Very high75.5Confident147 Ų147102.5 Ų102.579%0.78655%0.55SS**THydrogen-bonded Turntrans-84.1-13.4-176.8-60.3-38.3000112.7L116L116-D118 PolarHBondContact O-N 3.37Å
119I92.9Very high74.6Confident126 Ų126109.6 Ų109.665%0.64655%0.552SS**THydrogen-bonded Turntrans-101.8-35-174.7-56.7-59.5000111.9L116 I117 P121L116-I119 PolarHBondContact O-N 3.37Å; I117-I119 VanDerWaalsContact C-N 3.34Å; I119-P121 WeakPolarHBondContact O-CD 3.48Å
120V89.3Confident73.5Confident20 Ų20116.1 Ų116.112%0.12157%0.57CS.*SBendtrans-108.595.6-177.8-178.10000108.4A102 L116 R122A102-V120 HydrophobicContact CB-CG1 3.79Å; L116-V120 HydrophobicContact CB-CG2 4.18Å; L116-V120 PolarHBondContact O-N 2.93Å; V120-R122 WeakPolarHBondContact O-CG 3.39Å; V120-R122 PolarHBondContact O-N 3.35Å
121P83.6Confident72.6Confident82 Ų82119.2 Ų119.253%0.53259%0.591SS.*  trans-59.6116-178-15.214.9000110.8R98 I119R98-P121 PolarHBondContact NH2-O 2.66Å; I119-P121 WeakPolarHBondContact O-CD 3.48Å
122R74.8Confident70.7Confident79 Ų79118.2 Ų118.230%0.29859%0.59SS.*  trans-86.7145.4178.6-55.2-177.1-177.5-151.77.3108.4V105 S106 I117 V120 E124V105-R122 VanDerWaalsContact CG1-NH2 3.3Å; V105-R122 PolarHBondContact O-NH2 3Å; S106-R122 WeakPolarHBondContact OG-CD 3.34Å; S106-R122 PolarHBondContact OG-NH1 2.99Å; I117-R122 VanDerWaalsContact CG2-NH2 3.3Å; V120-R122 WeakPolarHBondContact O-CG 3.39Å; V120-R122 PolarHBondContact O-N 3.35Å; R122-E124 VanDerWaalsContact C-N 3.34Å; R122-E124 PolarHBondContact O-N 3.25Å; R122-E124 VanDerWaalsContact O-N 3.07Å
123E64.8Low68.9Low187 Ų187122.5 Ų122.587%0.87461%0.611SS**  trans-71.5102.1159.8-17167.2-153.300105.1A125E123-A125 PolarHBondContact O-N 2.96Å
124E55.9Low66.8Low163 Ų163127.9 Ų127.976%0.76264%0.643SS**  trans-54.3111.9176.6-68.9-173.1-168.900108R122 R126R122-E124 VanDerWaalsContact C-N 3.34Å; R122-E124 PolarHBondContact O-N 3.25Å; R122-E124 VanDerWaalsContact O-N 3.07Å; E124-R126 PolarHBondContact O-N 3.4Å
125A55.7Low64.9Low96 Ų96129.3 Ų129.379%0.79366%0.656SS**  trans-59.697.3167.400000106.1E123 G127E123-A125 PolarHBondContact O-N 2.96Å; A125-G127 PolarHBondContact O-N 3.43Å
126R42.7Very low62.6Low233 Ų233128.3 Ų128.388%0.87967%0.665SS**  trans-29.8101.2-174.4-72.6-170.8173.3-174.4-1.5110.7E124 H128E124-R126 PolarHBondContact O-N 3.4Å; R126-H128 PolarHBondContact O-N 3.4Å; R126-H128 VanDerWaalsContact O-N 3.17Å
127G47.7Very low60.5Low63 Ų63131.8 Ų131.865%0.64970%0.697SS**  trans-52.7125175.400000108.1A125 R129A125-G127 PolarHBondContact O-N 3.43Å; G127-R129 VanDerWaalsContact C-N 3.27Å; G127-R129 PolarHBondContact O-N 2.82Å
128H44.5Very low58.6Low184 Ų184133.4 Ų133.485%0.85272%0.715SS**  trans-53.291.4169.1-86.457.9000109.9R126R126-H128 PolarHBondContact O-N 3.4Å; R126-H128 VanDerWaalsContact O-N 3.17Å
129R48.8Very low56.3Low231 Ų231134.5 Ų134.587%0.87272%0.72SS**  trans-12585.5159-75-89.2-165.7160.93.7106.3G127 P131G127-R129 VanDerWaalsContact C-N 3.27Å; G127-R129 PolarHBondContact O-N 2.82Å; R129-P131 VanDerWaalsContact O-CD 3.28Å; R129-P131 WeakPolarHBondContact O-CD 3.39Å
130R47.1Very low54.3Low221 Ų221132.3 Ų132.383%0.83472%0.721SS**  trans-58.2116.6160.1-130.7-176.8-76.6-177.8-4106.2T132R130-T132 PolarHBondContact O-N 3.45Å
131P50.5Low52Low115 Ų115139.4 Ų139.475%0.74776%0.759SS**  trans-79.3100.7164.923.4-12.4000106.5R129 Q133R129-P131 VanDerWaalsContact O-CD 3.28Å; R129-P131 WeakPolarHBondContact O-CD 3.39Å; P131-Q133 VanDerWaalsContact C-N 3.29Å; P131-Q133 PolarHBondContact O-N 3.01Å
132T45.7Very low50.2Low124 Ų124138.8 Ų138.876%0.76177%0.767SS**  trans-66.890.8165.7-44.40000107.6R130R130-T132 PolarHBondContact O-N 3.45Å
133Q53.8Low48.7Very low181 Ų181143.1 Ų143.185%0.84680%0.796SS**  trans-103.299160-90.2-174.430.300108.7P131P131-Q133 VanDerWaalsContact C-N 3.29Å; P131-Q133 PolarHBondContact O-N 3.01Å
134T45.7Very low47.6Very low115 Ų115139.1 Ų139.171%0.70679%0.789SS**  trans-52.9124.1148.242.20000109.8
135T51.1Low47.2Very low123 Ų123138 Ų13876%0.75579%0.794SS**  161.7128.9126.843.20000111.9
136S46.1Very low46.5Very low110 Ų110141 Ų14177%0.76980%0.796SS**  trans73.398.5148.2-490000117.7
137A49.7Very low46.7Very low92 Ų92138 Ų13876%0.7680%0.796SS**  76.2113.485.900000114.8
138S48.5Very low46.6Very low110 Ų110143.6 Ų143.677%0.76980%0.802SS**  trans54.9112148.559.30000119.7
139N44Very low46.4Very low169 Ų169139 Ų13990%0.90479%0.791SS**  -176.5154.398.6-125.86.4000113.2
140A49.9Very low45.8Very low80 Ų80136.4 Ų136.466%0.66179%0.789SS**  trans-88.7177.4-174.900000114.5
141N41.9Very low45.4Very low170 Ų170132.6 Ų132.691%0.90979%0.785SS**  trans80.4136.7174.2-71.20.8000115.9
142G45.4Very low45.1Very low69 Ų69131.5 Ų131.571%0.71178%0.778SS**  cis161.91474.500000109.3
143N43.3Very low44.8Very low169 Ų169130.9 Ų130.990%0.90478%0.778SS**  trans82132.8153-134.233.2000121.9
144S42.8Very low44.4Very low104 Ų104129.7 Ų129.773%0.72777%0.772SS**  trans-93.3139-175.7-45.70000112
145T46.9Very low43.9Very low140 Ų140134.5 Ų134.586%0.85978%0.778SS**  trans-159.1101.9147.241.30000112.2
146N40.5Very low43.4Very low158 Ų158136.4 Ų136.485%0.84578%0.783SS**  trans8.7112.8132-147.9-14.7000118.4
147I46.9Very low43.1Very low169 Ų169137.5 Ų137.587%0.86778%0.781SS**  trans-142.6135144.2-69.2-162.2000109.7
148K45.6Very low42.4Very low182 Ų182141.8 Ų141.879%0.79178%0.782SS**  trans-89.2156.3-174.9178.5-179.3177.7-176.50111.4
149S41.3Very low42.1Very low87 Ų87143.4 Ų143.461%0.60878%0.782SS**  trans91.5112.6159-110.10000119.9
150E35.8Very low41.8Very low177 Ų177140.2 Ų140.283%0.82777%0.768SS**  trans81.3102.7130.4-71.9170128.800121.5
151N38.8Very low41Very low140 Ų140143.7 Ų143.775%0.74978%0.776SS**  trans71.7102.4132.2-156.236.6000118.9
152P43.7Very low41Very low93 Ų93141.9 Ų141.960%0.60477%0.771SS**  trans-118.4102.8161.434.8-19.2000111.8H154P152-H154 VanDerWaalsContact CB-CD2 3.44Å; P152-H154 WeakPolarHBondContact CB-CD2 3.44Å; P152-H154 WeakPolarHBondContact CB-NE2 3.2Å; P152-H154 PolarHBondContact O-N 3.39Å
153S39.1Very low40.6Very low111 Ų111145.6 Ų145.678%0.77678%0.775SS**  trans-74.576.3157.9-60.50000109.2R155S153-R155 PolarHBondContact O-N 3.32Å
154H44.5Very low40.5Very low155 Ų155144.8 Ų144.872%0.71877%0.77SS**  trans-78.5101.5163.9-66.4-59000107.3P152P152-H154 VanDerWaalsContact CB-CD2 3.44Å; P152-H154 WeakPolarHBondContact CB-CD2 3.44Å; P152-H154 WeakPolarHBondContact CB-NE2 3.2Å; P152-H154 PolarHBondContact O-N 3.39Å
155R36.2Very low40.4Very low217 Ų217145.8 Ų145.882%0.81977%0.772SS**  47.679.282.5-164.4-176.8-71.9160.5-1.3112.6S153S153-R155 PolarHBondContact O-N 3.32Å
156N40.8Very low40Very low162 Ų162146.9 Ų146.987%0.86677%0.767SS**  trans-105.989.1153.6-72.9-11.6000108.1
157N39.3Very low39.8Very low134 Ų134145 Ų14572%0.71777%0.767SS**  trans-84.2109.5164.4-125.931000106
158F36.3Very low39.5Very low181 Ų181145.3 Ų145.379%0.79477%0.769SS**  trans-103.796.5172.5-154.7-100.3000109.1T160F158-T160 HydrophobicContact CE1-CG2 4.14Å; F158-T160 WeakPolarHBondContact CE1-OG1 3.44Å; F158-T160 HydrophobicContact CZ-CG2 4.27Å
159L40.6Very low39Very low145 Ų145142.2 Ų142.276%0.75977%0.771SS**  trans-88.5113.7159.1-83.382.6000107.6
160T39.1Very low38.8Very low102 Ų102146 Ų14663%0.62678%0.783SS**  trans-15797.3144.960.50000106.6F158F158-T160 HydrophobicContact CE1-CG2 4.14Å; F158-T160 WeakPolarHBondContact CE1-OG1 3.44Å; F158-T160 HydrophobicContact CZ-CG2 4.27Å
161N31.9Very low38.9Very low152 Ų152141 Ų14181%0.81378%0.779SS**  64.385.498.5-164.465.5000114.7
162T41.6Very low38.7Very low133 Ų133143.3 Ų143.382%0.81679%0.785SS**  trans-157.9137134.145.60000108.7D164T162-D164 PolarHBondContact O-N 3.08Å
163N38.2Very low38.3Very low146 Ų146146 Ų14678%0.78180%0.795SS**  trans-42.8121.8173.4-67.3-24.7000111.2
164D40.2Very low38.1Very low152 Ų152146 Ų14681%0.81380%0.795SS**  173.7120129.7-79.9-30.5000108.3T162 H166T162-D164 PolarHBondContact O-N 3.08Å; D164-H166 PolarHBondContact O-N 3.46Å
165T40.7Very low37.4Very low125 Ų125142.9 Ų142.977%0.76781%0.805SS**  trans-5598.4179.939.70000111.1
166H38.8Very low37.2Very low163 Ų163140.1 Ų140.176%0.75580%0.801SS**  trans-174.497.1152-74.3-44.6000110.3D164D164-H166 PolarHBondContact O-N 3.46Å
167S35.9Very low36.7Very low120 Ų120141 Ų14184%0.83980%0.802SS**  trans-116.9119.6171.766.10000111.3
168L40.5Very low36.3Very low174 Ų174139.5 Ų139.591%0.91180%0.798SS**  trans-99.8118.1171.7-72.8164000109.2
169S36.1Very low36.1Very low118 Ų118137.6 Ų137.683%0.82580%0.801SS**  trans-104.5123.7172.5710000110.5
170L37.8Very low35.7Very low165 Ų165135.7 Ų135.786%0.86480%0.799SS**  trans-95.7115.8171.9-95.171.6000110.2
171G36.3Very low35.4Very low73 Ų73134.4 Ų134.475%0.75381%0.806SS**  trans-94.6127.1170.200000111.5N173G171-N173 PolarHBondContact O-N 3.31Å
172Q35.1Very low35.4Very low188 Ų188134.2 Ų134.288%0.87980%0.804SS**  trans-71.5107.4170.8-77.9174.7-1100110
173N34.7Very low35Very low149 Ų149133 Ų13380%0.79780%0.801SS**  trans173.8137.8138.7-90-20.4000108.7G171G171-N173 PolarHBondContact O-N 3.31Å
174S36.1Very low34.8Very low111 Ų111133.9 Ų133.978%0.77681%0.806SS**SBendtrans6091.8169.552.50000117.9H176S174-H176 PolarHBondContact O-N 3.1Å
175G30.3Very low34.2Very low91 Ų91134.1 Ų134.194%0.93881%0.807SS**SBend58.912.6119.900000122.4
176H30.8Very low33.9Very low159 Ų159134.6 Ų134.674%0.73681%0.81SS**  trans-150108.1179.8-150.4-89.3000112S174 V178S174-H176 PolarHBondContact O-N 3.1Å; H176-V178 WeakPolarHBondContact ND1-CG2 3.45Å
177M30.7Very low33.3Very low181 Ų181133.8 Ų133.889%0.89282%0.817SS**  trans-95.7113.5169.1-73.5-161-65.900109.5
178V31.8Very low33.1Very low102 Ų102131.6 Ų131.662%0.61881%0.812SS**  trans-104.5117.5170.1-176.10000107H176H176-V178 WeakPolarHBondContact ND1-CG2 3.45Å
179V32Very low32.4Very low141 Ų141128.9 Ų128.986%0.85581%0.808SS**  trans-101.1103.6168.41780000107.2
180S32.4Very low32.1Very low104 Ų104129 Ų12973%0.72781%0.809SS**PPolyproline II helixtrans-80.6132.5170.4-59.70000109.6
181G31.7Very low31.5Very low75 Ų75127.7 Ų127.777%0.77381%0.808SS**PPolyproline II helixtrans-66.5153.5-173.200000114.7
182L31.7Very low31.3Very low148 Ų148132.4 Ų132.478%0.77581%0.81SS**PPolyproline II helixtrans-93138.6169.5-72.9161.4000109.9
183S33.3Very low30.8Very low107 Ų107129.2 Ų129.275%0.74881%0.806SS**PPolyproline II helixtrans-53.5135.5-169.6-45.70000115.5
184N34.2Very low30.5Very low166 Ų166130.1 Ų130.189%0.88881%0.806SS**  trans-109.3110.1144.8-100.925.1000107.1V186N184-V186 PolarHBondContact O-N 3.37Å
185D28.2Very low29.9Very low156 Ų156130.9 Ų130.983%0.83481%0.806SS**  trans-60.2113.3160.5-91.6-40.5000108.5
186V32.9Very low29.6Very low135 Ų135132.9 Ų132.982%0.81880%0.799SS**  trans-162.4120.6133.6162.50000107.7N184N184-V186 PolarHBondContact O-N 3.37Å
187T27.8Very low29.4Very low147 Ų147131.2 Ų131.290%0.90280%0.801SS**  trans-31126.4169.7-13.90000115.5
188G30Very low29.1Very low73 Ų73129.2 Ų129.275%0.75380%0.798SS**  trans162.5102.9166.900000114.3
189S26.5Very low28.7Very low117 Ų117128.9 Ų128.982%0.81881%0.806SS**  trans-47.3131.3177.552.60000116.2
190S30.1Very low28.2Very low120 Ų120130.5 Ų130.584%0.83981%0.809SS**  162151.6120.355.40000112.3
191T26.1Very low27.9Very low139 Ų139130.4 Ų130.485%0.85382%0.815SS**  trans-86.6128.4-159.3460000114.7
192Q30.7Very low27.5Very low171 Ų171132.7 Ų132.780%0.79982%0.818SS**  trans-172.9134.6139.7-151.9168.218.600112.3
193P25.3Very low27.4Very low121 Ų121130.6 Ų130.679%0.78682%0.823SS**  trans-87.7135.4175.234-30000111.1
194Q27.1Very low27Very low169 Ų169130.5 Ų130.579%0.7983%0.829SS**  trans-115.9121.1173.9-76-101-1.500110.3
195T25.3Very low26.7Very low127 Ų127130.8 Ų130.878%0.77983%0.829SS**  trans-71.8135.9176.6-56.60000110.9
196V24.2Very low26.7Very low133 Ų133128.1 Ų128.181%0.80683%0.828SS**  trans-113.8116.3174.1-177.60000109.6
197T26.1Very low26.3Very low124 Ų124125.5 Ų125.576%0.76183%0.829SS**  trans-95.8126.3176-57.90000109.8
198V23.2Very low26.2Very low139 Ų139122.9 Ų122.984%0.84282%0.822SS**  trans-108.9123.9171.8-117.50000108.3
199A24.3Very low26.1Very low94 Ų94126.4 Ų126.478%0.77783%0.829SS**  trans-118.6121.8174.700000110.5
200L22.2Very low26Very low175 Ų175125.9 Ų125.992%0.91683%0.826SS**  trans-72.5138.8163.8-8884.8000109.2
201A25.7Very low25.9Very low103 Ų103127.3 Ų127.385%0.85183%0.829SS**  trans-140.6112162.500000111.6
202S23.6Very low25.8Very low122 Ų122127.4 Ų127.485%0.85382%0.824SS**  trans-67.5144.8159.9-54.50000110.3
203A28.2Very low25.6Very low105 Ų105125.1 Ų125.187%0.86883%0.827SS**  trans-151.2104.7160.100000111.4
204A25.2Very low25.6Very low105 Ų105123.2 Ų123.287%0.86882%0.822SS**  trans-87.8144.6150.400000107.8
205L28.2Very low25.6Very low172 Ų172123.4 Ų123.490%0.90183%0.826SS**  trans-137.1124.7173.9-171.971.3000109.8
206A27.8Very low25.7Very low99 Ų99123 Ų12382%0.81883%0.826SS**  163.3121.1110.200000111.5
207G25.8Very low25.7Very low80 Ų80122.6 Ų122.683%0.82583%0.828SS**  trans-176103.4170.500000108.5
208A25.1Very low25.8Very low92 Ų92126.2 Ų126.276%0.7684%0.836SS**  trans-57.8147.8-171.100000114.5
209T27.9Very low25.8Very low148 Ų148125.1 Ų125.191%0.90883%0.83SS**  177.9143.4117.330.30000111.6
210S23.7Very low25.8Very low106 Ų106129 Ų12974%0.74184%0.836SS**  trans-62.2144.9-177.8-176.70000113.5
211V28Very low25.9Very low150 Ų150126.4 Ų126.491%0.90983%0.827SS**  -162.2131.4127.2-94.70000111.1
212N23.4Very low25.9Very low141 Ų141129.6 Ų129.675%0.75483%0.825SS**  trans-76.2144.2-179.3-175.931.4000112
213S28.1Very low26Very low122 Ų122131.7 Ų131.785%0.85382%0.821SS**  trans-168.6111.7147.3-780000110.6
214A25Very low25.8Very low82 Ų82134.2 Ų134.268%0.67882%0.82SS**  trans-75.5163.317300000112.3
215I26.8Very low25.8Very low173 Ų173137.4 Ų137.489%0.88782%0.817SS**  trans176.4148.3140.6-89.3154.9000109.6
216P27.6Very low25.7Very low118 Ų118134.1 Ų134.177%0.76681%0.806SS**  trans-114.4172.8-13040.9-33.1000117.1
217C23.3Very low25.6Very low125 Ų125135.5 Ų135.585%0.84580%0.804SS**  trans-59.6149.7177.4-59.30000115.5
218Q28.9Very low25.6Very low199 Ų199135.9 Ų135.993%0.9380%0.8SS**  trans-126.3136152.5-74-137.369.900111.3
219T22.5Very low25.5Very low117 Ų117136.9 Ų136.972%0.71880%0.796SS**  trans-78.4139.3-179.4-53.80000111.2V221T219-V221 HydrophobicContact CG2-CG2 3.81Å
220L25.9Very low25.3Very low175 Ų175138.1 Ų138.192%0.91679%0.791SS**  trans-136.3123.4156-106.4152.9000109.1
221V23.4Very low25.3Very low120 Ų120141.6 Ų141.673%0.72779%0.794SS**  trans-97.6115.3-175-173.10000107.3T219T219-V221 HydrophobicContact CG2-CG2 3.81Å
222Q25.4Very low25Very low170 Ų170140.2 Ų140.279%0.79479%0.785SS**  trans-163.7119.5155.6-150.9119.317.300113.8
223Q26.2Very low25.1Very low167 Ų167139.7 Ų139.778%0.7879%0.787SS**  trans70.791.9140.2-134.716227.500121.2
224N24.8Very low24.8Very low158 Ų158141.6 Ų141.685%0.84579%0.786SS**  53.680.8117.9-154.879.2000119.3
225Q24.1Very low24.8Very low172 Ų172143.3 Ų143.380%0.80479%0.794SS**  trans-159.6132.9155.6-151.7168.637.100111.5T227Q225-T227 PolarHBondContact O-N 3.1Å; Q225-T227 VanDerWaalsContact O-N 3.12Å
226P26.4Very low24.6Very low103 Ų103140.8 Ų140.867%0.66979%0.791SS**  trans-73.3109.6-178.229.7-31.1000109.4
227T25.4Very low24.6Very low127 Ų127139 Ų13978%0.77979%0.794SS**  trans-83.7123.6-179.6-3.30000109.4Q225 V229Q225-T227 PolarHBondContact O-N 3.1Å; Q225-T227 VanDerWaalsContact O-N 3.12Å; T227-V229 PolarHBondContact O-N 2.99Å
228A25Very low24.8Very low89 Ų89139.1 Ų139.174%0.73680%0.796SS**  trans-6012617200000110H230A228-H230 PolarHBondContact O-N 3.3Å
229V24.9Very low24.6Very low112 Ų112133.3 Ų133.368%0.67979%0.79SS**  trans-83.7104.9-178.6-156.50000108.4T227 F231T227-V229 PolarHBondContact O-N 2.99Å; V229-F231 HydrophobicContact CB-CE2 4.01Å; V229-F231 HydrophobicContact CB-CZ 4.41Å; V229-F231 HydrophobicContact CG1-CD2 4.33Å; V229-F231 HydrophobicContact CG1-CE1 4.28Å; V229-F231 HydrophobicContact CG1-CE2 3.75Å; V229-F231 HydrophobicContact CG1-CZ 3.72Å
230H23.5Very low24.8Very low175 Ų175136.4 Ų136.481%0.8180%0.801SS**  trans-87.8111171.9-117.5-110.3000108.8A228A228-H230 PolarHBondContact O-N 3.3Å
231F23.8Very low24.7Very low179 Ų179132.1 Ų132.179%0.78579%0.791SS**  trans-87.8116.1174.1-68.3-84.6000110V229V229-F231 HydrophobicContact CB-CE2 4.01Å; V229-F231 HydrophobicContact CB-CZ 4.41Å; V229-F231 HydrophobicContact CG1-CD2 4.33Å; V229-F231 HydrophobicContact CG1-CE1 4.28Å; V229-F231 HydrophobicContact CG1-CE2 3.75Å; V229-F231 HydrophobicContact CG1-CZ 3.72Å
232T21.6Very low24.7Very low120 Ų120134.4 Ų134.474%0.73680%0.797SS**  trans-115.2112.2167.4-59.30000107.6
233T24.2Very low24.5Very low130 Ų130130.2 Ų130.280%0.79879%0.792SS**  trans-99.1121174.4-570000110
234I21.3Very low24.4Very low162 Ų162130.9 Ų130.983%0.83180%0.795SS**  trans-103.4127.7167.218.2172.5000106.2
235S25.4Very low24.3Very low119 Ų119127.9 Ų127.983%0.83279%0.786SS**  trans-138.8115.4172.5-172.90000111.1
236S24Very low24.3Very low119 Ų119124.2 Ų124.283%0.83278%0.779SS**  trans-96.1143.6166.344.30000108.8
237G27.5Very low24.2Very low80 Ų80121.5 Ų121.583%0.82577%0.766SS**  trans16286.1168.800000116.7
238S27.4Very low24.2Very low128 Ų128123 Ų12390%0.89577%0.769SS**  trans-59.9134159440000112.4
239G24.8Very low24.4Very low77 Ų77124.9 Ų124.979%0.79478%0.777SS**  trans-93.9145173.700000113.6
240L25.3Very low24.4Very low182 Ų182123.3 Ų123.395%0.95378%0.784SS**  trans-134.5142.5160.3-126.395.7000109
241A23.6Very low24.5Very low85 Ų85120.2 Ų120.270%0.70278%0.781SS**  trans-77.4168.5-169.400000115
242I23.4Very low24.5Very low168 Ų168117.1 Ų117.186%0.86278%0.777SS**  178120.1119.8-78.2147.3000111.1
243A22.7Very low24.7Very low82 Ų82118.1 Ų118.168%0.67878%0.783SS**  trans31.9130.8143.600000126.7
244Q22.9Very low24.7Very low181 Ų181119.8 Ų119.885%0.84679%0.785SS**  96.2115.6122.4-86.4-179.2-25.800124.8
245S22.2Very low24.8Very low96 Ų96116.1 Ų116.167%0.67178%0.78SS**  trans64.4155136.275.90000119.7S365S245-S365 VanDerWaalsContact C-OG 3.31Å
246S24Very low24.8Very low94 Ų94115 Ų11566%0.65778%0.778SS**  cis-155178.94.7-173.30000108.8S365S246-S365 WeakPolarHBondContact CA-OG 3.48Å; S246-S365 PolarHBondContact N-OG 3.1Å; S246-S365 WeakPolarHBondContact O-CB 3.42Å; S246-S365 PolarHBondContact O-OG 3.24Å
247A25.1Very low24.8Very low47 Ų47114.6 Ų114.639%0.38878%0.775SS.*  trans-67.2157.6-165.600000118.2
248N25.6Very low24.7Very low158 Ų158115.4 Ų115.485%0.84577%0.774SS**  trans-97.4125166.5-88-9.3000111.2
249S29.2Very low24.7Very low129 Ų129114.8 Ų114.890%0.90277%0.767SS**  176.2121.3125.7-77.90000111
250G25.4Very low24.7Very low79 Ų79118.9 Ų118.981%0.81477%0.77SS**  trans128.3105.9155.400000117.1
251S26.1Very low24.7Very low109 Ų109114.5 Ų114.576%0.76276%0.76SS**  trans81.2110.9144.4-131.50000120.3
252T23.6Very low24.8Very low114 Ų114116.9 Ų116.970%0.69977%0.766SS**  trans40.7115.4133.6450000119.1
253V25.7Very low24.8Very low142 Ų142115 Ų11586%0.86176%0.762SS**  -175.9130.698.3-92.20000112.7
254I23Very low24.9Very low164 Ų164116.3 Ų116.384%0.84176%0.762SS**  trans-3.3127.5148.6-52.4-170.2000117.9
255A24.3Very low24.9Very low86 Ų86111.6 Ų111.671%0.71175%0.754SS**  167.8130.2110.500000113.7
256A24.5Very low25.1Very low96 Ų96113 Ų11379%0.79376%0.759SS**  trans57.6141.4141.700000119.7
257S23.9Very low25.3Very low110 Ų110114.8 Ų114.877%0.76977%0.766SS**  cis173.4123.2-7.945.40000104.4
258A26.4Very low25.5Very low97 Ų97117.3 Ų117.380%0.80279%0.787SS**  trans-176.1131.9147.100000110
259P26.6Very low25.8Very low115 Ų115113.3 Ų113.375%0.74778%0.776SS**  trans-87.8162.7-174.936.4-32.6000111.4
260N25.7Very low25.9Very low163 Ų163112.4 Ų112.487%0.87277%0.767SS**  trans83.775.1172.7-62.2-1.6000117.5
261A25.1Very low26.2Very low89 Ų89113.4 Ų113.474%0.73675%0.753SS**  trans-151100.9143.500000109.5T263A261-T263 PolarHBondContact O-N 3.25Å
262T25.4Very low26.4Very low136 Ų136110.8 Ų110.883%0.83473%0.729SS**  trans-61100.9172.3-55.70000109V264T262-V264 HydrophobicContact CG2-CG2 4.26Å; T262-V264 PolarHBondContact O-N 3.32Å
263T23.9Very low26.9Very low127 Ų127110.8 Ų110.878%0.77972%0.716SS**  trans-84.3101.4172-54.90000107.5A261 A265A261-T263 PolarHBondContact O-N 3.25Å; T263-A265 PolarHBondContact O-N 3.3Å; T263-A265 VanDerWaalsContact O-N 3.1Å
264V23.4Very low27.3Very low110 Ų110106.3 Ų106.367%0.66769%0.689SS**  trans-74.198170.2-178.20000107.3T262 T266T262-V264 HydrophobicContact CG2-CG2 4.26Å; T262-V264 PolarHBondContact O-N 3.32Å; V264-T266 HydrophobicContact CG1-CG2 4.18Å; V264-T266 PolarHBondContact O-N 2.86Å
265A23.5Very low27.9Very low83 Ų83101.4 Ų101.469%0.68667%0.665SS**  trans-65.3101.1165.300000108.1T263 T267T263-A265 PolarHBondContact O-N 3.3Å; T263-A265 VanDerWaalsContact O-N 3.1Å; A265-T267 PolarHBondContact O-N 3.37Å
266T25.9Very low28.4Very low126 Ų126102.6 Ų102.677%0.77366%0.656SS**  trans-82.392.4169.833.80000107.8V264 A268V264-T266 HydrophobicContact CG1-CG2 4.18Å; V264-T266 PolarHBondContact O-N 2.86Å; T266-A268 PolarHBondContact O-N 2.99Å
267T28.1Very low28.9Very low130 Ų130102.1 Ų102.180%0.79864%0.639SS**  trans-67.7108.4164.747.40000107.5A265 A269A265-T267 PolarHBondContact O-N 3.37Å; T267-A269 PolarHBondContact O-N 3.5Å
268A31.2Very low29.6Very low100 Ų100101.4 Ų101.483%0.82663%0.632SS**  trans-68100.5176.200000109.1T266T266-A268 PolarHBondContact O-N 2.99Å
269A31.4Very low30.1Very low75 Ų75102.8 Ų102.862%0.6263%0.63SS**PPolyproline II helixtrans-64.5138.8171.700000109.9T267 L271T267-A269 PolarHBondContact O-N 3.5Å; A269-L271 PolarHBondContact O-N 3.27Å
270P30.6Very low30.5Very low110 Ų110100.4 Ų100.471%0.71463%0.627SS**PPolyproline II helixtrans-64.7123177.726.3-32.5000110
271L32.4Very low30.8Very low99 Ų9999.2 Ų99.252%0.51863%0.625SS.*PPolyproline II helixtrans-79.1125169.1-68.5178.8000109.2A269A269-L271 PolarHBondContact O-N 3.27Å
272Q30.7Very low31Very low55 Ų55100.3 Ų100.326%0.25763%0.634SS.*EExtended strand (participates in β ladder)trans-97.2135.3170.1-88.3-92.112.800109.3Q297 Q326 V327Q272-Q297 PolarHBondContact O-N 3.4Å; Q272-Q326 VanDerWaalsContact NE2-CG 3.35Å; Q272-V327 PolarHBondContact OE1-O 3.05Å; Q272-V327 VanDerWaalsContact OE1-O 3.06Å
273Y32.5Very low31.3Very low113 Ų11397.3 Ų97.344%0.44363%0.631SS.*EExtended strand (participates in β ladder)trans-109125.7174.4-66.9-69.7000109.3V294Y273-V294 HydrophobicContact CD1-CG1 3.23Å; Y273-V294 HydrophobicContact CE1-CG1 3.94Å; Y273-V294 HydrophobicContact CG-CG1 3.85Å
274V34.4Very low31.7Very low48 Ų4896 Ų9629%0.29163%0.632SS.*EExtended strand (participates in β ladder)trans-93.6120.8173.1-179.10000108.3
275L36.6Very low32Very low61 Ų6195 Ų9532%0.31963%0.63SS.*EExtended strand (participates in β ladder)trans-95111.8171.9-10867.8000109.3I292 V294L275-I292 HydrophobicContact CG-CG2 4.05Å; L275-V294 HydrophobicContact CD1-CG2 4.33Å
276Q33.1Very low32.3Very low112 Ų11296.4 Ų96.452%0.52364%0.642SS.*  trans-101.1111.3176.2-166.1138.2-14.900109.8
277L36.3Very low32.7Very low86 Ų8694.1 Ų94.145%0.4564%0.643SS.*  trans-90.3136.3174.5-67.895.5000110.1V279L277-V279 PolarHBondContact O-N 3.22Å
278P37.3Very low32.8Very low95 Ų9595.1 Ų95.162%0.61764%0.639SS**  trans-70.6120.7173.826.9-30.9000110.4G280 F290P278-G280 PolarHBondContact O-N 2.9Å; P278-F290 HydrophobicContact CG-CD2 4.45Å
279V37Very low32.8Very low126 Ų12696 Ų9676%0.76464%0.636SS**  trans-82.794.5167.1173.90000107.4L277L277-V279 PolarHBondContact O-N 3.22Å
280G36.8Very low33.1Very low65 Ų6598 Ų9867%0.6763%0.631SS**  trans-82.6117.3173.500000110.6P278P278-G280 PolarHBondContact O-N 2.9Å
281T32.2Very low33.4Very low138 Ų138101.6 Ų101.685%0.84764%0.639SS**  trans-54.7135.4161.436.90000109.6G283T281-G283 PolarHBondContact O-N 2.98Å
282A28.8Very low33.5Very low111 Ų111100.9 Ų100.992%0.91763%0.634SS**SBendtrans-14.2113.5179.700000116.1
283G31.3Very low33.7Very low74 Ų74104.5 Ų104.576%0.76365%0.651SS**  trans158.7-16.6165.500000118T281 S285T281-G283 PolarHBondContact O-N 2.98Å; G283-S285 PolarHBondContact O-N 2.66Å
284A31.4Very low33.7Very low99 Ų99102.3 Ų102.382%0.81865%0.65SS**  trans-82.7103.8-176.500000111.8A286A284-A286 PolarHBondContact O-N 3.47Å
285S30.6Very low33.9Very low89 Ų89104.8 Ų104.862%0.62266%0.66SS**  trans-42.1126.4166.7450000112.3G283 G287G283-S285 PolarHBondContact O-N 2.66Å; S285-G287 PolarHBondContact O-N 3.42Å
286A30.5Very low33.8Very low112 Ų112105.6 Ų105.693%0.92667%0.67SS**THydrogen-bonded Turntrans-49.9121.8174.700000111A284A284-A286 PolarHBondContact O-N 3.47Å
287G32.5Very low34Very low78 Ų78104.7 Ų104.780%0.80467%0.665SS**THydrogen-bonded Turntrans127-1.8172.400000117.1S285S285-G287 PolarHBondContact O-N 3.42Å
288Q30.3Very low33.8Very low151 Ų151108.2 Ų108.271%0.70668%0.679SS**  trans-85.1128.9176.1-73.9-67-29.100111.9F290Q288-F290 PolarHBondContact O-N 2.97Å
289P31.9Very low33.5Very low118 Ų118112.5 Ų112.577%0.76669%0.688SS**  trans-67131.6173.428.4-32.9000110.1
290F38.2Very low33.2Very low118 Ų118115.2 Ų115.252%0.51869%0.693SS.*  trans-109.3147.2171.464.5-85.7000110.5P278 Q288 I292P278-F290 HydrophobicContact CG-CD2 4.45Å; Q288-F290 PolarHBondContact O-N 2.97Å; F290-I292 HydrophobicContact CD2-CG1 3.91Å; F290-I292 HydrophobicContact CE2-CD1 3.87Å; F290-I292 HydrophobicContact CE2-CG1 3.53Å; F290-I292 HydrophobicContact CZ-CD1 4.42Å
291Q35.9Very low32.7Very low186 Ų186116.9 Ų116.987%0.86970%0.7SS**  trans-85.1129.3177.9-62.6-81.7-30.200108.9
292I34.4Very low32.5Very low83 Ų83114.7 Ų114.743%0.42670%0.696SS.*  trans-98.6114.9173.7-62171.1000107.7L275 F290 V294L275-I292 HydrophobicContact CG-CG2 4.05Å; F290-I292 HydrophobicContact CD2-CG1 3.91Å; F290-I292 HydrophobicContact CE2-CD1 3.87Å; F290-I292 HydrophobicContact CE2-CG1 3.53Å; F290-I292 HydrophobicContact CZ-CD1 4.42Å; I292-V294 HydrophobicContact CG2-CG2 4.07Å
293Q34.9Very low32.3Very low131 Ų131117 Ų11761%0.61269%0.693SS**  trans-83.2114.8172.2-166.588.426.700108.6
294V33.6Very low32.3Very low68 Ų68120.1 Ų120.141%0.41270%0.697SS.*EExtended strand (participates in β ladder)trans-99.5114.3174.9-174.30000108.3Y273 L275 I292Y273-V294 HydrophobicContact CD1-CG1 3.23Å; Y273-V294 HydrophobicContact CE1-CG1 3.94Å; Y273-V294 HydrophobicContact CG-CG1 3.85Å; L275-V294 HydrophobicContact CD1-CG2 4.33Å; I292-V294 HydrophobicContact CG2-CG2 4.07Å
295L37.5Very low32Very low99 Ų99122.8 Ų122.852%0.51870%0.698SS.*EExtended strand (participates in β ladder)trans-102.6122.2179.9-165.267.2000110.4Q297L295-Q297 PolarHBondContact O-N 2.8Å
296P35.5Very low31.7Very low79 Ų79122.9 Ų122.951%0.51370%0.704SS.*EExtended strand (participates in β ladder)trans-71.5119.5175-11.626.1000110.4
297Q36.4Very low31.5Very low93 Ų93124.6 Ų124.644%0.43570%0.703SS.*EExtended strand (participates in β ladder)trans-110.5123.4172.2-74.5-77.8-12.800109.3Q272 L295Q272-Q297 PolarHBondContact O-N 3.4Å; L295-Q297 PolarHBondContact O-N 2.8Å
298H32.7Very low31.1Very low160 Ų160126 Ų12674%0.74170%0.7SS**  trans-93.4105.9173.843.8-87.7000108.5
299F31.2Very low30.9Very low184 Ų184124.1 Ų124.181%0.80771%0.71SS**  trans-93.5116.7173.9-130.2-92.1000109.8A301F299-A301 PolarHBondContact O-N 2.73Å
300Q29.6Very low30.5Very low184 Ų184121.7 Ų121.786%0.8671%0.707SS**  trans-79.7109.1178.1-155.3171.231.300108.1A302Q300-A302 PolarHBondContact O-N 3.1Å; Q300-A302 VanDerWaalsContact O-N 3.09Å
301A27.8Very low29.8Very low99 Ų99125.5 Ų125.582%0.81873%0.726SS**  trans-71.1103178.400000109.9F299F299-A301 PolarHBondContact O-N 2.73Å
302A28.4Very low29.3Very low92 Ų92121.7 Ų121.776%0.7673%0.726SS**  trans-94.5129.8166.500000109.2Q300 T304Q300-A302 PolarHBondContact O-N 3.1Å; Q300-A302 VanDerWaalsContact O-N 3.09Å; A302-T304 PolarHBondContact O-N 3.45Å
303N24.7Very low29Very low161 Ų161121.1 Ų121.186%0.86174%0.741SS**  trans-60.4124-179-50.3-59.4000111.7
304T31.1Very low28.6Very low139 Ų139119 Ų11985%0.85375%0.746SS**  trans-157.6121.6147.6-25.40000112.1A302A302-T304 PolarHBondContact O-N 3.45Å
305D23.3Very low28.3Very low155 Ų155123.7 Ų123.783%0.82977%0.767SS**  trans-52.4159.1158-85.1-75.4000113.1
306A25.1Very low27.7Very low91 Ų91127 Ų12775%0.75279%0.785SS**  trans76.5114.2168.100000117.1
307V26.1Very low27.3Very low148 Ų148126.8 Ų126.890%0.89779%0.789SS**  -177.9137.4114.6154.50000109.3
308S24.9Very low26.8Very low107 Ų107130 Ų13075%0.74881%0.809SS**  trans-54.4160.4-176-610000116.8G310S308-G310 PolarHBondContact O-N 3.16Å
309A25.9Very low26.8Very low111 Ų111126.5 Ų126.592%0.91782%0.817SS**SBendtrans-37123.4164.100000114
310G23.3Very low26.7Very low67 Ų67124.3 Ų124.369%0.69181%0.814SS**  trans136.7112.1168.100000113.2S308S308-G310 PolarHBondContact O-N 3.16Å
311Q24.6Very low27.1Very low198 Ų198122.4 Ų122.493%0.92581%0.814SS**  trans67.1154.2167.9-73.1-174.5-27.900118.7
312A24.8Very low27.2Very low106 Ų106122.6 Ų122.688%0.87680%0.801SS**  trans85.2137.8168.800000116.4
313G27.9Very low27.5Very low71 Ų71122.4 Ų122.473%0.73279%0.792SS**  cis-131.6106.723.400000114.7
314A25.7Very low27.9Very low88 Ų88121.1 Ų121.173%0.72779%0.785SS**  trans-79.5111.5143.200000106.2L316A314-L316 PolarHBondContact O-N 3.44Å
315I27.2Very low28.1Very low165 Ų165116.8 Ų116.885%0.84676%0.758SS**  trans-73.999.2167.2-62.5-173.4000106.1A317I315-A317 PolarHBondContact O-N 3.01Å
316L25.1Very low28.5Very low170 Ų170115.9 Ų115.989%0.8975%0.749SS**  trans-69.9101.1168.6-71.7162.3000108.1A314A314-L316 PolarHBondContact O-N 3.44Å
317A27.2Very low28.9Very low74 Ų74115.3 Ų115.361%0.61274%0.736SS**  trans-146.5113.7159.300000107.3I315I315-A317 PolarHBondContact O-N 3.01Å
318D26.5Very low29.2Very low159 Ų159112 Ų11285%0.8572%0.716SS**SBendtrans45.391.5167.5-63.4-26.5000118.3N320D318-N320 PolarHBondContact O-N 3.28Å
319G31.6Very low29.7Very low87 Ų87112 Ų11290%0.89772%0.715SS**SBendtrans67.4-13.1141.100000120.5
320N30.7Very low30Very low139 Ų139113.7 Ų113.774%0.74371%0.705SS**  trans-127.5102.9-175-98.944.1000111D318 L322D318-N320 PolarHBondContact O-N 3.28Å; N320-L322 PolarHBondContact O-N 2.87Å; N320-L322 VanDerWaalsContact O-N 3.09Å
321T36.6Very low30.4Very low143 Ų143117.1 Ų117.188%0.87772%0.715SS**  trans-68.7104.2172.4480000110.1
322L31.7Very low30.8Very low103 Ų103111.7 Ų111.754%0.53971%0.712SS.*  trans-90.5126.9169.1-67.3173.3000109.4N320 L324N320-L322 PolarHBondContact O-N 2.87Å; N320-L322 VanDerWaalsContact O-N 3.09Å; L322-L324 PolarHBondContact O-N 3.02Å
323P34Very low31.2Very low88 Ų88109.6 Ų109.657%0.57170%0.701SS**  trans-69.2118.317027.4-31.2000109.5
324L32.6Very low31.3Very low134 Ų134114.2 Ų114.270%0.70271%0.706SS**  trans-83.5112.9172.9-170.478.1000109.2L322L322-L324 PolarHBondContact O-N 3.02Å
325V34.9Very low31.6Very low49 Ų49114 Ų11430%0.29771%0.705SS.*  trans-91.4106.8170.6-178.40000108.2V327V325-V327 HydrophobicContact CG1-CG2 3.92Å
326Q32.1Very low31.8Very low136 Ų136111.2 Ų111.264%0.63670%0.695SS**  trans-89.7110.7173.8-171.9171.6-4600109.5Q272 V328Q272-Q326 VanDerWaalsContact NE2-CG 3.35Å; Q326-V328 HydrophobicContact CG-CG2 4.23Å
327V33.8Very low32.3Very low79 Ų79105.7 Ų105.748%0.47967%0.669SS.*  trans-101.5105.5176.2-176.40000108.6Q272 V325Q272-V327 PolarHBondContact OE1-O 3.05Å; Q272-V327 VanDerWaalsContact OE1-O 3.06Å; V325-V327 HydrophobicContact CG1-CG2 3.92Å
328V32Very low32.5Very low78 Ų78109.4 Ų109.447%0.47368%0.677SS.*  trans-91.6113.7174.4176.40000108.9Q326 Q330Q326-V328 HydrophobicContact CG-CG2 4.23Å; V328-Q330 HydrophobicContact CG1-CG 4.08Å
329S35.4Very low33Very low106 Ų106106.1 Ų106.174%0.74166%0.659SS**  trans-82.4112.3170.8-1760000109.4
330Q32.6Very low33Very low148 Ų148110.7 Ų110.769%0.69266%0.657SS**  trans-104.3145.7169.2-70.6-164.410.400110.8V328 G332V328-Q330 HydrophobicContact CG1-CG 4.08Å; Q330-G332 PolarHBondContact O-N 3.19Å
331P31.1Very low33.1Very low139 Ų139111.9 Ų111.990%0.90366%0.658SS**THydrogen-bonded Turntrans-73.399.3176.530.4-29.9000108.5
332G33.5Very low33Very low84 Ų84110.6 Ų110.687%0.86666%0.662SS**THydrogen-bonded Turntrans133.416.3165.300000120.1Q330Q330-G332 PolarHBondContact O-N 3.19Å
333G34Very low33.1Very low62 Ų62108.5 Ų108.564%0.63967%0.665SS**SBendtrans158154.7170.300000115.8
334I28.5Very low33Very low167 Ų167107.7 Ų107.786%0.85667%0.673SS**  trans-59.6129.8-167.7-58.5173.9000112.7
335A33.4Very low33Very low83 Ų83107.7 Ų107.769%0.68668%0.684SS**  trans-107.3121.2165.700000110.3
336V30.5Very low32.8Very low107 Ų107114.9 Ų114.965%0.64871%0.706SS**  trans-80.8126.3177178.60000109I338V336-I338 PolarHBondContact O-N 3.22Å
337P35.7Very low32.9Very low54 Ų54114 Ų11435%0.35171%0.71SS.*  trans-76.5117.6172.429-30.4000110.1
338I31.1Very low32.8Very low152 Ų152115.5 Ų115.578%0.77971%0.712SS**  trans-90.5114.3164.1-61.2174.4000106.9V336V336-I338 PolarHBondContact O-N 3.22Å
339I36.8Very low32.9Very low91 Ų91118.4 Ų118.447%0.46772%0.723SS.*  trans-97.2115.7171.5-56.3173.9000107.2L350I339-L350 HydrophobicContact CD1-CD1 4.5Å
340Q31.7Very low32.6Very low183 Ų183118 Ų11886%0.85571%0.713SS**  trans-111.398.8171.1-168.2159.910.300108.3
341E32.7Very low32.6Very low164 Ų164119 Ų11977%0.76672%0.717SS**  trans-81.6137170.7-100.7-144.9139.800110.9G343E341-G343 VanDerWaalsContact C-N 3.3Å; E341-G343 PolarHBondContact O-N 3.13Å
342A34.6Very low32.6Very low116 Ų116119.2 Ų119.296%0.95971%0.71SS**SBendtrans-75.580172.900000110.1
343G33.5Very low32.4Very low59 Ų59122.9 Ų122.961%0.60870%0.704SS**SBendtrans143.397.7169.200000114.3E341E341-G343 VanDerWaalsContact C-N 3.3Å; E341-G343 PolarHBondContact O-N 3.13Å
344G32.4Very low32.4Very low71 Ų71127.4 Ų127.473%0.73271%0.711SS**SBendtrans77.198.6154.500000118.7R346G344-R346 PolarHBondContact O-N 3.36Å
345S32.6Very low32.8Very low134 Ų134124.8 Ų124.894%0.93771%0.705SS**SBendtrans61.626.4137.5-59.50000122.9
346R31Very low32.8Very low199 Ų199128.1 Ų128.175%0.75171%0.706SS**  trans-151.3104.9166.1-151.1170.9163-134.5-6.6115.4G344G344-R346 PolarHBondContact O-N 3.36Å
347T34.2Very low33.2Very low118 Ų118128.5 Ų128.572%0.72471%0.713SS**  trans-82123.4167.9-31.60000108.9
348Q31.9Very low33.1Very low110 Ų110131.4 Ų131.451%0.51473%0.73SS.*  trans-110120.5167.8-70.8-166.561.900109.1
349I32.8Very low33.4Very low140 Ų140128.3 Ų128.372%0.71873%0.728SS**  trans-90.2111.7174.8-58.1172.7000106.8Q351I349-Q351 PolarHBondContact O-N 2.86Å
350L30.8Very low33.1Very low98 Ų98128 Ų12851%0.51375%0.747SS.*  trans-84.9106.9166-83.694.3000108.7I339 L352I339-L350 HydrophobicContact CD1-CD1 4.5Å; L350-L352 PolarHBondContact O-N 3.42Å
351Q31.3Very low33.2Very low168 Ų168126.1 Ų126.179%0.78575%0.747SS**  trans-84.199.6171.7-164.5177.169.900108.7I349 Q353I349-Q351 PolarHBondContact O-N 2.86Å; Q351-Q353 PolarHBondContact O-N 3Å
352L30.8Very low33.3Very low143 Ų143122.4 Ų122.475%0.74974%0.74SS**  trans-82.495.3171.8-76.2146.8000108.5L350 M354L350-L352 PolarHBondContact O-N 3.42Å; L352-M354 PolarHBondContact O-N 3.42Å
353Q29.8Very low33.2Very low161 Ų161124.5 Ų124.575%0.75273%0.733SS**  trans-77.5100173.1-172.987.7-4.700108.9Q351Q351-Q353 PolarHBondContact O-N 3Å
354M33.8Very low33.1Very low157 Ų157125.9 Ų125.977%0.77374%0.739SS**  trans-73.5140.6168.7-80.3-84.1-79.200110L352 E356L352-M354 PolarHBondContact O-N 3.42Å; M354-E356 PolarHBondContact O-N 3.16Å
355P37.8Very low33Very low112 Ų112125.6 Ų125.673%0.72773%0.725SS**  trans-67.3113.9169.427.6-30.4000108.8S357P355-S357 PolarHBondContact O-N 3.17Å
356E32.7Very low33.1Very low154 Ų154122.1 Ų122.172%0.7271%0.711SS**  trans-67.596.1177.3-158.7-160.5135.700109.1K37 M354K37-E356 IonicContact NZ-OE1 2.74Å; K37-E356 PolarHBondContact NZ-OE1 3Å; K37-E356 IonicContact NZ-OE2 2.82Å; K37-E356 PolarHBondContact NZ-OE2 2.85Å; M354-E356 PolarHBondContact O-N 3.16Å
357S38.9Very low33.4Very low114 Ų114122.1 Ų122.180%0.79774%0.739SS**  trans-105.194.8171.1-178.50000110.1P355P355-S357 PolarHBondContact O-N 3.17Å
358T34Very low33.3Very low116 Ų116122.4 Ų122.471%0.71274%0.74SS**  trans-6.6127.8150.9-43.20000117.2
359A37.9Very low33.4Very low87 Ų87123 Ų12372%0.71975%0.752SS**  17588.7126.200000110.6V361A359-V361 PolarHBondContact O-N 3.14Å
360G30.4Very low33.4Very low84 Ų84122.1 Ų122.187%0.86675%0.754SS**  trans-70.2116.9152.900000108.4
361V34.1Very low33.6Very low143 Ų143123.5 Ų123.587%0.86777%0.768SS**  trans-106.9131.2155.6170.30000107.7A359A359-V361 PolarHBondContact O-N 3.14Å
362S33.1Very low33.7Very low87 Ų87120.7 Ų120.761%0.60877%0.767SS**  trans-79.7145.1-166.3-156.80000113.2
363I32.6Very low33.9Very low159 Ų159119.2 Ų119.282%0.81577%0.768SS**  trans49.4118.1141.465.1-165.9000122.2
364A31.6Very low34.2Very low89 Ų89116.2 Ų116.274%0.73677%0.769SS**  trans-156.1116.8139.100000112.9
365S31.1Very low34.2Very low64 Ų64113.1 Ų113.145%0.44877%0.769SS.*  trans85.9120.1146.6-60.50000122.7S245 S246S245-S365 VanDerWaalsContact C-OG 3.31Å; S246-S365 WeakPolarHBondContact CA-OG 3.48Å; S246-S365 PolarHBondContact N-OG 3.1Å; S246-S365 WeakPolarHBondContact O-CB 3.42Å; S246-S365 PolarHBondContact O-OG 3.24Å
366G35.6Very low33.9Very low61 Ų61113.2 Ų113.263%0.62977%0.772SS**  trans161.936.6160.100000122.3
367C35.4Very low34Very low200 Ų200109.5 Ų109.5100%1.35178%0.777SS**  trans-137.30149.8-88.50000108.5

Retrieved 367 of 367 residues in 275.1 ms (Link to these results)