A0A087XN04_POEFO Loading...

Fucose mutarotase

AlphaFold DB , UniProt , Accession A0A087XN04, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 154 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
1M93.3Very high97.5Very high152 Ų15277.9 Ų77.975%0.74945%0.448SS*.  0156064.9178.1-65.600110.4S9 L11M1-S9 CarbonylContact C-O 3.49Å; M1-S9 WeakPolarHBondContact CA-O 3.32Å; M1-S9 WeakPolarHBondContact CB-O 3.35Å; M1-L11 CarbonylContact C-O 3.18Å; M1-L11 WeakPolarHBondContact CA-O 3.1Å
2V96.4Very high97.6Very high15 Ų1572.9 Ų72.99%0.09142%0.421CS..  trans-126.3160175.2-64.90000110.9L4 I7 S9 L11 P13V2-L4 HydrophobicContact CB-CD1 4.43Å; V2-L4 HydrophobicContact CB-CG 4.48Å; V2-I7 HydrophobicContact CG2-CG2 3.79Å; V2-S9 PolarHBondContact N-O 3.26Å; V2-S9 VanDerWaalsContact O-CA 3.25Å; V2-S9 WeakPolarHBondContact O-CA 3.25Å; V2-S9 VanDerWaalsContact O-CB 3.26Å; V2-S9 WeakPolarHBondContact O-CB 3.26Å; V2-L11 PolarHBondContact N-O 3.47Å; V2-P13 HydrophobicContact CG1-CB 4.42Å; V2-P13 HydrophobicContact CG1-CG 3.85Å
3V97.8Very high97.7Very high131 Ų13172.5 Ų72.579%0.79442%0.423SS*.  trans-126.788173-175.10000108.2
4L98.2Very high97.7Very high103 Ų10375.6 Ų75.654%0.53943%0.431SS..  trans-137.6147.5-177.1-63.4173.3000109.7V2 G6 I7 L16V2-L4 HydrophobicContact CB-CD1 4.43Å; V2-L4 HydrophobicContact CB-CG 4.48Å; L4-G6 PolarHBondContact O-N 3.46Å; L4-I7 HydrophobicContact CB-CB 4.04Å; L4-I7 HydrophobicContact CB-CG1 4Å; L4-I7 HydrophobicContact CD1-CG1 4.47Å; L4-I7 PolarHBondContact O-N 3.43Å; L4-L16 HydrophobicContact CD1-CD2 4.21Å
5K97.9Very high97.8Very high211 Ų21170.7 Ų70.792%0.91740%0.403SS*.THydrogen-bonded Turntrans-66.6130.1178.5-64.7-179.9-178.4177.80110I7K5-I7 PolarHBondContact O-N 3.26Å
6G96.8Very high97.9Very high77 Ų7769.1 Ų69.179%0.79439%0.393SS*.THydrogen-bonded Turntrans76.9-4.9177.500000115.7L4L4-G6 PolarHBondContact O-N 3.46Å
7I98.5Very high97.9Very high45 Ų4572.8 Ų72.823%0.23140%0.4CS..SBendtrans-104.7128.2179.6-54.5-59.4000109.5V2 L4 K5 S9 L11 L16 L65V2-I7 HydrophobicContact CG2-CG2 3.79Å; L4-I7 HydrophobicContact CB-CB 4.04Å; L4-I7 HydrophobicContact CB-CG1 4Å; L4-I7 HydrophobicContact CD1-CG1 4.47Å; L4-I7 PolarHBondContact O-N 3.43Å; K5-I7 PolarHBondContact O-N 3.26Å; I7-S9 PolarHBondContact O-N 3.36Å; I7-L11 HydrophobicContact CG2-CD1 4.35Å; I7-L16 HydrophobicContact CG2-CD1 4.32Å; I7-L16 HydrophobicContact CG2-CD2 4.28Å; I7-L65 HydrophobicContact CD1-CD1 4.12Å; I7-L65 HydrophobicContact CD1-CD2 3.78Å; I7-L65 HydrophobicContact CG2-CD1 4.28Å
8P98.4Very high98Very high22 Ų2268.8 Ų68.814%0.14338%0.379CS..  trans-58125.4175.8-26.136.4000111.8V10 L11 A61 K64P8-V10 HydrophobicContact CB-CG2 4.25Å; P8-V10 PolarHBondContact O-N 2.95Å; P8-L11 HydrophobicContact CB-CD1 4.44Å; P8-L11 HydrophobicContact CB-CG 4.36Å; P8-L11 HydrophobicContact CG-CD1 4.5Å; P8-L11 PolarHBondContact O-N 3.24Å; P8-A61 HydrophobicContact CB-CB 3.64Å; P8-A61 HydrophobicContact CG-CB 4.03Å; P8-K64 HydrophobicContact CG-CB 4.43Å; P8-K64 HydrophobicContact CG-CD 3.8Å
9S98.1Very high98Very high64 Ų6465.7 Ų65.745%0.44836%0.361SS..THydrogen-bonded Turntrans-64.8-24.8-173.755.80000113.6M1 V2 I7 L11M1-S9 CarbonylContact C-O 3.49Å; M1-S9 WeakPolarHBondContact CA-O 3.32Å; M1-S9 WeakPolarHBondContact CB-O 3.35Å; V2-S9 PolarHBondContact N-O 3.26Å; V2-S9 VanDerWaalsContact O-CA 3.25Å; V2-S9 WeakPolarHBondContact O-CA 3.25Å; V2-S9 VanDerWaalsContact O-CB 3.26Å; V2-S9 WeakPolarHBondContact O-CB 3.26Å; I7-S9 PolarHBondContact O-N 3.36Å; S9-L11 PolarHBondContact O-N 2.91Å
10V98.3Very high98Very high37 Ų3766.3 Ų66.322%0.22438%0.375CS..THydrogen-bonded Turntrans-62.7-23178.3-61.10000113.2P8 L53 Q57 A61P8-V10 HydrophobicContact CB-CG2 4.25Å; P8-V10 PolarHBondContact O-N 2.95Å; V10-L53 HydrophobicContact CB-CD1 4.5Å; V10-Q57 HydrophobicContact CG1-CG 4.34Å; V10-A61 HydrophobicContact CG2-CB 3.39Å
11L98.6Very high98.1Very high0 Ų068.8 Ų68.80%038%0.382CS..SBendtrans-70134.9177.2-57.2178.9000110.2M1 V2 I7 P8 S9 L15 L19 L58 A61 I62 L65M1-L11 CarbonylContact C-O 3.18Å; M1-L11 WeakPolarHBondContact CA-O 3.1Å; V2-L11 PolarHBondContact N-O 3.47Å; I7-L11 HydrophobicContact CG2-CD1 4.35Å; P8-L11 HydrophobicContact CB-CD1 4.44Å; P8-L11 HydrophobicContact CB-CG 4.36Å; P8-L11 HydrophobicContact CG-CD1 4.5Å; P8-L11 PolarHBondContact O-N 3.24Å; S9-L11 PolarHBondContact O-N 2.91Å; L11-L15 HydrophobicContact CD2-CD2 3.65Å; L11-L15 HydrophobicContact CD2-CG 4.31Å; L11-L19 HydrophobicContact CD1-CD1 4.4Å; L11-L58 HydrophobicContact CD2-CD2 4.38Å; L11-A61 HydrophobicContact CD2-CB 3.89Å; L11-A61 HydrophobicContact CG-CB 4.19Å; L11-I62 HydrophobicContact CD2-CG1 3.94Å; L11-L65 HydrophobicContact CD1-CD1 3.51Å
12S98.7Very high98.3Very high18 Ų1861.8 Ų61.813%0.12635%0.347CS..  trans-77.8156.9169.869.40000111E14 L15 L16S12-E14 VanDerWaalsContact CB-OE2 3.32Å; S12-E14 WeakPolarHBondContact CB-OE2 3.41Å; S12-E14 PolarHBondContact O-N 3.19Å; S12-E14 PolarHBondContact OG-OE2 3.42Å; S12-L15 PolarHBondContact O-N 3.05Å; S12-L15 WeakPolarHBondContact OG-CB 3.17Å; S12-L15 PolarHBondContact OG-N 3.05Å; S12-L16 PolarHBondContact O-N 3.22Å
13P98.7Very high98.4Very high68 Ų6862.8 Ų62.844%0.44236%0.36SS..Hα-helixtrans-51.5-39.2170.3-24.832.5000112.6V2 L16 Y17V2-P13 HydrophobicContact CG1-CB 4.42Å; V2-P13 HydrophobicContact CG1-CG 3.85Å; P13-L16 PolarHBondContact O-N 3.2Å; P13-Y17 WeakPolarHBondContact O-CB 3.02Å; P13-Y17 PolarHBondContact O-N 2.99Å
14E98.6Very high98.5Very high115 Ų11561.4 Ų61.454%0.53735%0.345SS..Hα-helixtrans-68.8-42-178.9-60.772.4-157.200111.9S12 Y17 A18S12-E14 VanDerWaalsContact CB-OE2 3.32Å; S12-E14 WeakPolarHBondContact CB-OE2 3.41Å; S12-E14 PolarHBondContact O-N 3.19Å; S12-E14 PolarHBondContact OG-OE2 3.42Å; E14-Y17 WeakPolarHBondContact O-CB 3.04Å; E14-Y17 PolarHBondContact O-N 3.26Å; E14-A18 PolarHBondContact O-N 3.47Å
15L98.8Very high98.5Very high3 Ų357.6 Ų57.62%0.01633%0.331CS..Hα-helixtrans-67-43.2175.5-179.654.6000110.9L11 S12 Y17 A18 L19 L28 I48 L58 I62 V130L11-L15 HydrophobicContact CD2-CD2 3.65Å; L11-L15 HydrophobicContact CD2-CG 4.31Å; S12-L15 PolarHBondContact O-N 3.05Å; S12-L15 WeakPolarHBondContact OG-CB 3.17Å; S12-L15 PolarHBondContact OG-N 3.05Å; L15-Y17 VanDerWaalsContact C-N 3.29Å; L15-Y17 PolarHBondContact O-N 3.4Å; L15-A18 PolarHBondContact O-N 2.94Å; L15-A18 VanDerWaalsContact O-N 3.16Å; L15-L19 HydrophobicContact CD1-CG 4.31Å; L15-L19 HydrophobicContact CG-CD1 4.38Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 2.97Å; L15-L28 HydrophobicContact CD1-CD2 4.38Å; L15-I48 HydrophobicContact CB-CG2 4.33Å; L15-I48 HydrophobicContact CD1-CD1 4.36Å; L15-L58 HydrophobicContact CD2-CD2 4.13Å; L15-I62 HydrophobicContact CD2-CD1 4.28Å; L15-I62 HydrophobicContact CD2-CG1 4.45Å; L15-V130 HydrophobicContact CD1-CG2 3.72Å
16L98.8Very high98.5Very high44 Ų4450.3 Ų50.323%0.2330%0.302CS..Hα-helixtrans-60.2-41.8175.6-174.262.8000111.4L4 I7 S12 P13 L19 A20 L65L4-L16 HydrophobicContact CD1-CD2 4.21Å; I7-L16 HydrophobicContact CG2-CD1 4.32Å; I7-L16 HydrophobicContact CG2-CD2 4.28Å; S12-L16 PolarHBondContact O-N 3.22Å; P13-L16 PolarHBondContact O-N 3.2Å; L16-L19 PolarHBondContact O-N 3.4Å; L16-A20 WeakPolarHBondContact O-CB 3.5Å; L16-A20 PolarHBondContact O-N 3.16Å; L16-L65 HydrophobicContact CD1-CD1 3.81Å
17Y98.8Very high98.6Very high132 Ų13247.6 Ų47.652%0.51827%0.268SS..Hα-helixtrans-60.8-43.5174.3178.2-100.8000112.3P13 E14 L15 A20 K21P13-Y17 WeakPolarHBondContact O-CB 3.02Å; P13-Y17 PolarHBondContact O-N 2.99Å; E14-Y17 WeakPolarHBondContact O-CB 3.04Å; E14-Y17 PolarHBondContact O-N 3.26Å; L15-Y17 VanDerWaalsContact C-N 3.29Å; L15-Y17 PolarHBondContact O-N 3.4Å; Y17-A20 PolarHBondContact O-N 2.98Å; Y17-K21 HydrophobicContact CD1-CG 4.34Å; Y17-K21 HydrophobicContact CD2-CG 4.41Å; Y17-K21 HydrophobicContact CE1-CG 3.9Å; Y17-K21 HydrophobicContact CE2-CG 4Å; Y17-K21 WeakPolarHBondContact O-CB 3.41Å; Y17-K21 WeakPolarHBondContact O-CG 3.44Å; Y17-K21 PolarHBondContact O-N 3.4Å; Y17-K21 WeakPolarHBondContact OH-CE 3.31Å
18A98.8Very high98.7Very high2 Ų245.4 Ų45.42%0.01726%0.257CS..Hα-helixtrans-62.2-49.2176.500000111.8E14 L15 A20 K21 M22 I48 Y127E14-A18 PolarHBondContact O-N 3.47Å; L15-A18 PolarHBondContact O-N 2.94Å; L15-A18 VanDerWaalsContact O-N 3.16Å; A18-A20 VanDerWaalsContact C-N 3.26Å; A18-A20 PolarHBondContact O-N 3.08Å; A18-K21 PolarHBondContact O-N 3.03Å; A18-K21 VanDerWaalsContact O-N 3.08Å; A18-M22 VanDerWaalsContact O-CG 3.29Å; A18-M22 WeakPolarHBondContact O-CG 3.5Å; A18-M22 PolarHBondContact O-N 3.43Å; A18-I48 HydrophobicContact CB-CD1 3.61Å; A18-Y127 HydrophobicContact CB-CD1 4.47Å; A18-Y127 HydrophobicContact CB-CE1 4.16Å
19L98.8Very high98.7Very high10 Ų1044.4 Ų44.45%0.05225%0.251CS..Hα-helixtrans-56.8-40.2177.6-65173.5000112.2L11 L15 L16 M22 L28 I62 L66 K145L11-L19 HydrophobicContact CD1-CD1 4.4Å; L15-L19 HydrophobicContact CD1-CG 4.31Å; L15-L19 HydrophobicContact CG-CD1 4.38Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 2.97Å; L16-L19 PolarHBondContact O-N 3.4Å; L19-M22 HydrophobicContact CD2-SD 4.43Å; L19-L28 HydrophobicContact CD2-CD2 3.85Å; L19-I62 HydrophobicContact CD1-CG1 4.28Å; L19-I62 HydrophobicContact CD2-CG2 3.94Å; L19-L66 HydrophobicContact CD2-CB 4.45Å; L19-L66 HydrophobicContact CD2-CD1 4.07Å; L19-L66 HydrophobicContact CD2-CD2 4.39Å; L19-K145 PolarHBondContact O-NZ 3.02Å
20A98.6Very high98.7Very high77 Ų7741.3 Ų41.364%0.63623%0.229SC*.Hα-helixtrans-70.4-34.8177.800000112.9L16 Y17 A18L16-A20 WeakPolarHBondContact O-CB 3.5Å; L16-A20 PolarHBondContact O-N 3.16Å; Y17-A20 PolarHBondContact O-N 2.98Å; A18-A20 VanDerWaalsContact C-N 3.26Å; A18-A20 PolarHBondContact O-N 3.08Å
21K98.7Very high98.7Very high118 Ų11839.6 Ų39.651%0.51322%0.219SC..Hα-helixtrans-79.7-25.2180-81.1-65.9-162.8179.50114.5Y17 A18 Y127Y17-K21 HydrophobicContact CD1-CG 4.34Å; Y17-K21 HydrophobicContact CD2-CG 4.41Å; Y17-K21 HydrophobicContact CE1-CG 3.9Å; Y17-K21 HydrophobicContact CE2-CG 4Å; Y17-K21 WeakPolarHBondContact O-CB 3.41Å; Y17-K21 WeakPolarHBondContact O-CG 3.44Å; Y17-K21 PolarHBondContact O-N 3.4Å; Y17-K21 WeakPolarHBondContact OH-CE 3.31Å; A18-K21 PolarHBondContact O-N 3.03Å; A18-K21 VanDerWaalsContact O-N 3.08Å; K21-Y127 HydrophobicContact CB-CE1 4.37Å; K21-Y127 VanDerWaalsContact CB-OH 3.28Å; K21-Y127 WeakPolarHBondContact CB-OH 3.5Å
22M98.8Very high98.8Very high6 Ų640 Ų403%0.0322%0.221CC..  trans-59.4135.4176.7-74168.272.900111A18 L19 D26 L28 Y127 K145A18-M22 VanDerWaalsContact O-CG 3.29Å; A18-M22 WeakPolarHBondContact O-CG 3.5Å; A18-M22 PolarHBondContact O-N 3.43Å; L19-M22 HydrophobicContact CD2-SD 4.43Å; M22-D26 WeakPolarHBondContact CA-OD2 3.41Å; M22-D26 HydrophobicContact CB-CB 3.94Å; M22-D26 HydrophobicContact CE-CB 3.97Å; M22-D26 HydrophobicContact CG-CB 4.07Å; M22-L28 HydrophobicContact CE-CB 3.86Å; M22-L28 HydrophobicContact SD-CB 4.19Å; M22-Y127 HydrophobicContact CG-CD1 3.59Å; M22-Y127 HydrophobicContact CG-CD2 4.24Å; M22-Y127 HydrophobicContact CG-CE1 4.23Å; M22-Y127 HydrophobicContact CG-CG 3.62Å; M22-Y127 HydrophobicContact SD-CD1 4.45Å; M22-K145 HydrophobicContact CB-CD 3.6Å; M22-K145 HydrophobicContact CE-CB 4.12Å; M22-K145 WeakPolarHBondContact O-CD 3.38Å; M22-K145 WeakPolarHBondContact O-CE 3.24Å; M22-K145 PolarHBondContact O-NZ 3.15Å
23G98.6Very high98.7Very high35 Ų3542 Ų4236%0.36124%0.239SC..  trans-89.2179.3169.500000112.8G25 D26 K145G23-G25 PolarHBondContact O-N 3.25Å; G23-D26 PolarHBondContact N-OD2 2.92Å; G23-D26 WeakPolarHBondContact O-CB 3.36Å; G23-D26 PolarHBondContact O-N 3.33Å; G23-K145 WeakPolarHBondContact O-CD 3.23Å
24H98.5Very high98.7Very high103 Ų10344.3 Ų44.348%0.47725%0.247SC..THydrogen-bonded Turntrans-63130.2170.1172.325.9000110D26 D69 Y71 K145 V147H24-D26 VanDerWaalsContact C-N 3.32Å; H24-D69 VanDerWaalsContact CE1-CG 3.47Å; H24-D69 IonicContact CE1-OD1 3.92Å; H24-D69 PolarHBondContact CE1-OD1 2.9Å; H24-D69 IonicContact CE1-OD2 3.47Å; H24-D69 PolarHBondContact CE1-OD2 3.39Å; H24-D69 VanDerWaalsContact CE1-OD2 3.23Å; H24-D69 IonicContact ND1-OD2 3.39Å; H24-Y71 AromaticContact CE1-CD2 3.82Å; H24-Y71 AromaticContact NE2-CD2 3.64Å; H24-K145 PolarHBondContact ND1-O 3.33Å; H24-V147 HydrophobicContact CB-CG1 3.91Å
25G98.4Very high98.7Very high23 Ų2339.6 Ų39.624%0.23723%0.225CC..THydrogen-bonded Turntrans91.7-13.3178.700000113.7G23 K144 K145G23-G25 PolarHBondContact O-N 3.25Å; G25-K144 PolarHBondContact O-NZ 2.92Å; G25-K145 PolarHBondContact N-O 3.18Å
26D98.9Very high98.7Very high57 Ų5741.8 Ų41.831%0.30524%0.239SC..  trans-63.9148.7171.5-80.4-22.8000110.9M22 G23 H24 K145M22-D26 WeakPolarHBondContact CA-OD2 3.41Å; M22-D26 HydrophobicContact CB-CB 3.94Å; M22-D26 HydrophobicContact CE-CB 3.97Å; M22-D26 HydrophobicContact CG-CB 4.07Å; G23-D26 PolarHBondContact N-OD2 2.92Å; G23-D26 WeakPolarHBondContact O-CB 3.36Å; G23-D26 PolarHBondContact O-N 3.33Å; H24-D26 VanDerWaalsContact C-N 3.32Å; D26-K145 PolarHBondContact O-N 3.47Å
27E98.9Very high98.7Very high20 Ų2040 Ų409%0.09323%0.231CC..EExtended strand (participates in β ladder)trans-118.1143.6-175.7-63.4-174.4166.100111.7R122 A126 Y127 I142 L143 K144E27-R122 VanDerWaalsContact CD-NE 3.34Å; E27-R122 IonicContact OE1-CZ 2.68Å; E27-R122 IonicContact OE1-NE 3.9Å; E27-R122 PolarHBondContact OE1-NE 3.43Å; E27-R122 IonicContact OE1-NH2 3.89Å; E27-R122 PolarHBondContact OE1-NH2 3.1Å; E27-R122 VanDerWaalsContact OE2-CG 3.22Å; E27-R122 WeakPolarHBondContact OE2-CG 3.39Å; E27-R122 IonicContact OE2-CZ 2.94Å; E27-R122 IonicContact OE2-NE 3.33Å; E27-R122 PolarHBondContact OE2-NE 3.2Å; E27-R122 IonicContact OE2-NH2 3.23Å; E27-A126 HydrophobicContact CB-CB 4.39Å; E27-A126 WeakPolarHBondContact O-CB 3.37Å; E27-Y127 WeakPolarHBondContact O-CB 3.22Å; E27-Y127 PolarHBondContact O-N 3.35Å; E27-I142 HydrophobicContact CB-CG2 3.95Å; E27-I142 HydrophobicContact CG-CG2 4.29Å; E27-L143 CarbonylContact C-O 3.57Å; E27-L143 VanDerWaalsContact CA-O 3.22Å; E27-L143 WeakPolarHBondContact CA-O 3.49Å; E27-K144 HydrophobicContact CG-CB 4.13Å; E27-K144 HydrophobicContact CG-CG 3.97Å; E27-K144 IonicContact OE1-NZ 2.75Å; E27-K144 PolarHBondContact OE1-NZ 2.99Å
28L98.9Very high98.7Very high0 Ų037.7 Ų37.70%023%0.234CC..EExtended strand (participates in β ladder)trans-118.3129.5175-178.271.8000108.8L15 L19 M22 L30 I62 A128 V130 I142 L143L15-L28 HydrophobicContact CD1-CD2 4.38Å; L19-L28 HydrophobicContact CD2-CD2 3.85Å; M22-L28 HydrophobicContact CE-CB 3.86Å; M22-L28 HydrophobicContact SD-CB 4.19Å; L28-L30 HydrophobicContact CD2-CD2 4.16Å; L28-L30 HydrophobicContact CG-CD2 4.47Å; L28-I62 HydrophobicContact CD2-CD1 4Å; L28-I62 HydrophobicContact CD2-CG2 4.48Å; L28-A128 HydrophobicContact CD1-CB 3.82Å; L28-V130 HydrophobicContact CD1-CG2 3.82Å; L28-V130 HydrophobicContact CD2-CG2 4.46Å; L28-V130 HydrophobicContact CG-CG2 4.31Å; L28-I142 CarbonylContact O-C 3.57Å; L28-I142 WeakPolarHBondContact O-CA 3.47Å; L28-L143 PolarHBondContact N-O 2.97Å; L28-L143 PolarHBondContact O-N 3.26Å
29V98.9Very high98.7Very high0 Ų041.6 Ų41.60%026%0.261CS..EExtended strand (participates in β ladder)trans-96.6126.4172.6-168.20000109.2A31 F35 F119 A123 A126 A128 V129 V130 L141 I142V29-A31 HydrophobicContact CG1-CB 4.46Å; V29-F35 HydrophobicContact CG1-CZ 4.5Å; V29-F119 HydrophobicContact CG1-CE1 4.42Å; V29-A123 HydrophobicContact CG2-CB 3.97Å; V29-A126 HydrophobicContact CG2-CB 3.64Å; V29-A128 PolarHBondContact N-O 2.92Å; V29-V129 HydrophobicContact CB-CB 4.29Å; V29-V129 HydrophobicContact CB-CG1 4.18Å; V29-V129 HydrophobicContact CB-CG2 3.99Å; V29-V129 HydrophobicContact CG1-CG1 4.39Å; V29-V129 HydrophobicContact CG2-CG2 3.97Å; V29-V130 PolarHBondContact O-N 2.8Å; V29-L141 CarbonylContact C-O 3.56Å; V29-L141 WeakPolarHBondContact CA-O 3.28Å; V29-I142 HydrophobicContact CG1-CG1 4.4Å; V29-I142 HydrophobicContact CG2-CG1 4.18Å
30L98.9Very high98.7Very high0 Ų041.5 Ų41.50%026%0.261CS..EExtended strand (participates in β ladder)trans-97.1110.3161.8-56.6-177.5000107.1L28 I55 L59 I62 V130 N140 L141 L143L28-L30 HydrophobicContact CD2-CD2 4.16Å; L28-L30 HydrophobicContact CG-CD2 4.47Å; L30-I55 HydrophobicContact CB-CD1 4.18Å; L30-I55 HydrophobicContact CB-CG1 4.08Å; L30-I55 HydrophobicContact CB-CG2 3.89Å; L30-I55 HydrophobicContact CD1-CG2 3.86Å; L30-I55 WeakPolarHBondContact O-CD1 3.33Å; L30-L59 HydrophobicContact CD1-CB 4.21Å; L30-L59 HydrophobicContact CD1-CD1 4.41Å; L30-I62 HydrophobicContact CD1-CD1 4.04Å; L30-I62 HydrophobicContact CD2-CD1 3.66Å; L30-I62 HydrophobicContact CG-CD1 4.43Å; L30-V130 HydrophobicContact CD2-CB 3.82Å; L30-V130 HydrophobicContact CD2-CG1 4.44Å; L30-V130 HydrophobicContact CD2-CG2 3.84Å; L30-N140 WeakPolarHBondContact O-CA 3.28Å; L30-L141 HydrophobicContact CB-CB 4.44Å; L30-L141 HydrophobicContact CD1-CD2 4.49Å; L30-L141 PolarHBondContact N-O 3.39Å; L30-L141 PolarHBondContact O-N 2.84Å; L30-L143 HydrophobicContact CD1-CD1 4.36Å
31A98.9Very high98.7Very high0 Ų038.7 Ų38.70%024%0.236CC..EExtended strand (participates in β ladder)trans-101.5131.7-17000000111.1V29 F35 V129 V130 T132 N140V29-A31 HydrophobicContact CG1-CB 4.46Å; A31-F35 HydrophobicContact CB-CB 3.8Å; A31-F35 HydrophobicContact CB-CD1 3.55Å; A31-F35 HydrophobicContact CB-CE1 4.35Å; A31-F35 HydrophobicContact CB-CG 3.81Å; A31-V129 HydrophobicContact CB-CG1 3.74Å; A31-V130 WeakPolarHBondContact CB-O 3.48Å; A31-V130 PolarHBondContact N-O 2.93Å; A31-T132 WeakPolarHBondContact O-CB 3.35Å; A31-T132 PolarHBondContact O-N 2.72Å; A31-T132 PolarHBondContact O-OG1 2.65Å; A31-N140 WeakPolarHBondContact CA-OD1 3.29Å
32D98.8Very high98.7Very high9 Ų937.2 Ų37.25%0.04825%0.246CC..  trans-71.4167.6171.371.950.6000111.2N34 F35 I55 E134 G139 N140D32-N34 PolarHBondContact O-N 2.86Å; D32-N34 VanDerWaalsContact O-N 3.11Å; D32-N34 WeakPolarHBondContact OD1-CA 3.44Å; D32-N34 WeakPolarHBondContact OD1-CB 3.47Å; D32-N34 PolarHBondContact OD1-N 2.87Å; D32-F35 VanDerWaalsContact O-CB 3.31Å; D32-F35 WeakPolarHBondContact O-CB 3.41Å; D32-F35 PolarHBondContact O-N 3.42Å; D32-F35 PolarHBondContact OD1-N 3.06Å; D32-F35 VanDerWaalsContact OD1-N 3.11Å; D32-I55 HydrophobicContact CB-CD1 4.38Å; D32-E134 HydrophobicContact CB-CB 4.24Å; D32-E134 HydrophobicContact CB-CG 4.23Å; D32-G139 PolarHBondContact OD2-N 2.59Å; D32-G139 VanDerWaalsContact OD2-N 3.13Å; D32-N140 PolarHBondContact N-OD1 3.11Å; D32-N140 PolarHBondContact OD2-N 3.02Å; D32-N140 PolarHBondContact OD2-ND2 3.47Å; D32-N140 PolarHBondContact OD2-OD1 3.21Å
33A98.4Very high98.7Very high61 Ų6140.5 Ų40.550%0.50427%0.269SS..THydrogen-bonded Turntrans-64.3-16.9-174.100000113.9E134A33-E134 VanDerWaalsContact CB-O 3.25Å; A33-E134 WeakPolarHBondContact CB-O 3.44Å; A33-E134 PolarHBondContact N-O 3.11Å
34N98.4Very high98.6Very high116 Ų11641.8 Ų41.862%0.6228%0.282SS*.THydrogen-bonded Turntrans-96.4-10.5178.3-58.5-69.8000112.6D32D32-N34 PolarHBondContact O-N 2.86Å; D32-N34 VanDerWaalsContact O-N 3.11Å; D32-N34 WeakPolarHBondContact OD1-CA 3.44Å; D32-N34 WeakPolarHBondContact OD1-CB 3.47Å; D32-N34 PolarHBondContact OD1-N 2.87Å
35F98.8Very high98.6Very high15 Ų1537.1 Ų37.17%0.06626%0.261CS..SBendtrans-66.2137.9179.5-169-100.1000111V29 A31 D32 A37 I40 M79 F119 Y120 A123 V129 N140V29-F35 HydrophobicContact CG1-CZ 4.5Å; A31-F35 HydrophobicContact CB-CB 3.8Å; A31-F35 HydrophobicContact CB-CD1 3.55Å; A31-F35 HydrophobicContact CB-CE1 4.35Å; A31-F35 HydrophobicContact CB-CG 3.81Å; D32-F35 VanDerWaalsContact O-CB 3.31Å; D32-F35 WeakPolarHBondContact O-CB 3.41Å; D32-F35 PolarHBondContact O-N 3.42Å; D32-F35 PolarHBondContact OD1-N 3.06Å; D32-F35 VanDerWaalsContact OD1-N 3.11Å; F35-A37 HydrophobicContact CD1-CB 4.18Å; F35-A37 PolarHBondContact O-N 3.36Å; F35-I40 HydrophobicContact CE1-CB 4.13Å; F35-I40 HydrophobicContact CE1-CG1 3.81Å; F35-I40 HydrophobicContact CE1-CG2 4.28Å; F35-I40 HydrophobicContact CZ-CG1 3.91Å; F35-I40 HydrophobicContact CZ-CG2 4.49Å; F35-M79 HydrophobicContact CE2-CE 4.46Å; F35-F119 HydrophobicContact CD2-CE1 4.46Å; F35-F119 AromaticContact CE2-CD1 3.93Å; F35-F119 HydrophobicContact CE2-CD1 3.93Å; F35-F119 AromaticContact CE2-CE1 3.66Å; F35-F119 HydrophobicContact CE2-CE1 3.66Å; F35-F119 HydrophobicContact CZ-CE1 4.24Å; F35-Y120 HydrophobicContact CD2-CE1 4.02Å; F35-Y120 AromaticContact CE2-CD1 3.69Å; F35-Y120 HydrophobicContact CE2-CD1 3.69Å; F35-Y120 AromaticContact CE2-CE1 3.55Å; F35-Y120 HydrophobicContact CE2-CE1 3.55Å; F35-Y120 HydrophobicContact CZ-CD1 4.03Å; F35-Y120 HydrophobicContact CZ-CE1 4.24Å; F35-A123 HydrophobicContact CZ-CB 3.86Å; F35-V129 HydrophobicContact CD1-CG1 4.38Å; F35-V129 HydrophobicContact CE1-CG1 4.22Å; F35-N140 VanDerWaalsContact CB-OD1 3.28Å; F35-N140 WeakPolarHBondContact CB-OD1 3.38Å; F35-N140 HydrophobicContact CD2-CB 4.37Å; F35-N140 VanDerWaalsContact CD2-CG 3.49Å; F35-N140 VanDerWaalsContact CD2-OD1 3.32Å; F35-N140 WeakPolarHBondContact CD2-OD1 3.47Å; F35-N140 WeakPolarHBondContact CG-OD1 3.39Å
36P98.6Very high98.6Very high49 Ų4940.7 Ų40.732%0.31827%0.27SS..  trans-77.758.5-179.533.8-37000111.7S38 S39 I40 Y120P36-S38 VanDerWaalsContact C-N 3.35Å; P36-S38 PolarHBondContact O-N 2.84Å; P36-S39 PolarHBondContact O-N 3.28Å; P36-I40 HydrophobicContact CG-CG1 4.15Å; P36-I40 WeakPolarHBondContact O-CG1 3.2Å; P36-I40 PolarHBondContact O-N 2.71Å; P36-Y120 HydrophobicContact CG-CD1 4.43Å; P36-Y120 HydrophobicContact CG-CE1 3.82Å
37A98.6Very high98.6Very high8 Ų841.7 Ų41.77%0.06627%0.273CS..Hα-helixtrans-54.1-47.7-172.800000112.2F35 S39 I40 C41 V129 A131F35-A37 HydrophobicContact CD1-CB 4.18Å; F35-A37 PolarHBondContact O-N 3.36Å; A37-S39 PolarHBondContact O-N 2.98Å; A37-I40 PolarHBondContact O-N 2.84Å; A37-C41 VanDerWaalsContact O-CB 3.32Å; A37-C41 WeakPolarHBondContact O-CB 3.37Å; A37-C41 PolarHBondContact O-N 3.34Å; A37-C41 PolarHBondContact O-SG 3.26Å; A37-C41 VanDerWaalsContact O-SG 3.36Å; A37-V129 HydrophobicContact CB-CG1 4.07Å; A37-A131 HydrophobicContact CB-CB 4.02Å
38S98.4Very high98.6Very high83 Ų8341.4 Ų41.458%0.5827%0.272SS*.Hα-helixtrans-58.4-48.1-179.4-176.20000112.7P36 I40 C41 A42P36-S38 VanDerWaalsContact C-N 3.35Å; P36-S38 PolarHBondContact O-N 2.84Å; S38-I40 PolarHBondContact O-N 3.45Å; S38-C41 PolarHBondContact O-N 3.17Å; S38-A42 PolarHBondContact O-N 2.84Å
39S98.6Very high98.6Very high83 Ų8347.9 Ų47.958%0.5830%0.296SS*.Hα-helixtrans-68.1-34.8179.1-57.40000112.8P36 A37 C43P36-S39 PolarHBondContact O-N 3.28Å; A37-S39 PolarHBondContact O-N 2.98Å; S39-C43 PolarHBondContact O-SG 3.35Å
40I98.8Very high98.6Very high8 Ų848.5 Ų48.54%0.04130%0.302CS..Hα-helixtrans-69.7-42.8176.2-66.6-70.1000110.4F35 P36 A37 S38 A42 C43 P45 Y120 A123 K124 V129F35-I40 HydrophobicContact CE1-CB 4.13Å; F35-I40 HydrophobicContact CE1-CG1 3.81Å; F35-I40 HydrophobicContact CE1-CG2 4.28Å; F35-I40 HydrophobicContact CZ-CG1 3.91Å; F35-I40 HydrophobicContact CZ-CG2 4.49Å; P36-I40 HydrophobicContact CG-CG1 4.15Å; P36-I40 WeakPolarHBondContact O-CG1 3.2Å; P36-I40 PolarHBondContact O-N 2.71Å; A37-I40 PolarHBondContact O-N 2.84Å; S38-I40 PolarHBondContact O-N 3.45Å; I40-A42 VanDerWaalsContact C-N 3.31Å; I40-A42 PolarHBondContact O-N 2.75Å; I40-C43 VanDerWaalsContact O-CB 3.29Å; I40-C43 WeakPolarHBondContact O-CB 3.23Å; I40-C43 PolarHBondContact O-N 3.5Å; I40-P45 HydrophobicContact CG2-CG 4.11Å; I40-P45 WeakPolarHBondContact O-CD 3.47Å; I40-Y120 HydrophobicContact CD1-CD1 4.08Å; I40-Y120 HydrophobicContact CD1-CG 4.32Å; I40-A123 HydrophobicContact CG2-CB 3.96Å; I40-K124 HydrophobicContact CD1-CG 3.92Å; I40-K124 HydrophobicContact CG2-CG 4.33Å; I40-V129 HydrophobicContact CG2-CG2 4.12Å
41C98.7Very high98.6Very high18 Ų1853.1 Ų53.112%0.12233%0.326CS..Hα-helixtrans-66-30.8177-740000113.3A37 S38 C43 G44 P45 E47A37-C41 VanDerWaalsContact O-CB 3.32Å; A37-C41 WeakPolarHBondContact O-CB 3.37Å; A37-C41 PolarHBondContact O-N 3.34Å; A37-C41 PolarHBondContact O-SG 3.26Å; A37-C41 VanDerWaalsContact O-SG 3.36Å; S38-C41 PolarHBondContact O-N 3.17Å; C41-C43 PolarHBondContact O-N 3.48Å; C41-G44 PolarHBondContact O-N 3.11Å; C41-P45 WeakPolarHBondContact CA-O 3.19Å; C41-P45 WeakPolarHBondContact CB-O 3.41Å; C41-P45 PolarHBondContact SG-O 2.8Å; C41-P45 VanDerWaalsContact SG-O 3.34Å; C41-E47 HydrophobicContact CB-CB 3.9Å; C41-E47 VanDerWaalsContact SG-CA 3.59Å
42A98.5Very high98.4Very high87 Ų8756.7 Ų56.772%0.71936%0.363SS*.THydrogen-bonded Turntrans-60.1-16.3170.200000113.4S38 I40S38-A42 PolarHBondContact O-N 2.84Å; I40-A42 VanDerWaalsContact C-N 3.31Å; I40-A42 PolarHBondContact O-N 2.75Å
43C98.1Very high98.4Very high76 Ų7658.3 Ų58.351%0.51437%0.372SS..THydrogen-bonded Turntrans-91.7-5.3176.1-57.20000114.6S39 I40 C41 K124S39-C43 PolarHBondContact O-SG 3.35Å; I40-C43 VanDerWaalsContact O-CB 3.29Å; I40-C43 WeakPolarHBondContact O-CB 3.23Å; I40-C43 PolarHBondContact O-N 3.5Å; C41-C43 PolarHBondContact O-N 3.48Å; C43-K124 HydrophobicContact CB-CB 4.16Å; C43-K124 HydrophobicContact CB-CD 4.25Å; C43-K124 HydrophobicContact CB-CG 3.87Å
44G97.9Very high98.4Very high62 Ų6256.6 Ų56.664%0.63936%0.36SS*.SBendtrans153.4-56.7-178.900000116.9C41C41-G44 PolarHBondContact O-N 3.11Å
45P98.7Very high98.4Very high5 Ų551 Ų513%0.03233%0.33CS..SBendtrans-67147.4-170.422-29.2000111.5I40 C41 E47 K124 A126 V129I40-P45 HydrophobicContact CG2-CG 4.11Å; I40-P45 WeakPolarHBondContact O-CD 3.47Å; C41-P45 WeakPolarHBondContact CA-O 3.19Å; C41-P45 WeakPolarHBondContact CB-O 3.41Å; C41-P45 PolarHBondContact SG-O 2.8Å; C41-P45 VanDerWaalsContact SG-O 3.34Å; P45-E47 PolarHBondContact O-N 2.92Å; P45-K124 WeakPolarHBondContact CD-O 3.34Å; P45-A126 HydrophobicContact CB-CB 4.46Å; P45-A126 WeakPolarHBondContact CB-O 3.41Å; P45-V129 HydrophobicContact CB-CG2 4.01Å; P45-V129 HydrophobicContact CG-CG2 3.88Å
46K98.6Very high98.4Very high98 Ų9851.8 Ų51.843%0.42634%0.337SS..EExtended strand (participates in β ladder)trans-67130.5174.5-65.3178-179.2171.80110.5Y127 A128 V129K46-Y127 HydrophobicContact CD-CE1 4.37Å; K46-Y127 PolarHBondContact N-O 2.75Å; K46-Y127 VanDerWaalsContact N-O 3.16Å; K46-Y127 PolarHBondContact NZ-OH 3.06Å; K46-Y127 VanDerWaalsContact NZ-OH 3.11Å; K46-A128 HydrophobicContact CB-CB 4.18Å; K46-A128 CarbonylContact O-C 3.5Å; K46-A128 VanDerWaalsContact O-CA 3.29Å; K46-A128 WeakPolarHBondContact O-CA 3.41Å; K46-A128 WeakPolarHBondContact O-CB 3.22Å; K46-V129 PolarHBondContact O-N 3.22Å
47E98.8Very high98.4Very high77 Ų7753.9 Ų53.936%0.3634%0.343SS..EExtended strand (participates in β ladder)trans-80.6126.5169.5-167.2174.6163.600109.7C41 P45 R49C41-E47 HydrophobicContact CB-CB 3.9Å; C41-E47 VanDerWaalsContact SG-CA 3.59Å; P45-E47 PolarHBondContact O-N 2.92Å; E47-R49 WeakPolarHBondContact OE1-CD 3.31Å; E47-R49 IonicContact OE1-NH1 3.53Å; E47-R49 PolarHBondContact OE1-NH1 2.82Å; E47-R49 VanDerWaalsContact OE1-NH1 3.11Å
48I98.9Very high98.4Very high15 Ų1553.6 Ų53.68%0.07734%0.34CS..EExtended strand (participates in β ladder)trans-122.7126.6173.6-58.1176.2000107.7L15 A18 A128 V129 V130 A131L15-I48 HydrophobicContact CB-CG2 4.33Å; L15-I48 HydrophobicContact CD1-CD1 4.36Å; A18-I48 HydrophobicContact CB-CD1 3.61Å; I48-A128 HydrophobicContact CD1-CB 4.01Å; I48-V129 PolarHBondContact N-O 3.26Å; I48-V130 HydrophobicContact CB-CG2 4.44Å; I48-V130 CarbonylContact O-C 3.49Å; I48-V130 VanDerWaalsContact O-CA 3.28Å; I48-V130 WeakPolarHBondContact O-CA 3.48Å; I48-A131 PolarHBondContact O-N 3.42Å
49R98.7Very high98.5Very high136 Ų13649.6 Ų49.651%0.51331%0.312SS..EExtended strand (participates in β ladder)trans-87.2131.8178.2-62.4-56.2-65.4-166.6-2110.6E47 D51E47-R49 WeakPolarHBondContact OE1-CD 3.31Å; E47-R49 IonicContact OE1-NH1 3.53Å; E47-R49 PolarHBondContact OE1-NH1 2.82Å; E47-R49 VanDerWaalsContact OE1-NH1 3.11Å; R49-D51 WeakPolarHBondContact CB-OD2 3.27Å; R49-D51 IonicContact CZ-OD1 3.38Å; R49-D51 IonicContact CZ-OD2 3.73Å; R49-D51 IonicContact NE-OD1 3.2Å; R49-D51 IonicContact NE-OD2 2.8Å; R49-D51 PolarHBondContact NE-OD2 3.09Å; R49-D51 IonicContact NH2-OD1 2.73Å; R49-D51 PolarHBondContact NH2-OD1 3.13Å; R49-D51 IonicContact NH2-OD2 3.79Å; R49-D51 PolarHBondContact NH2-OD2 3.5Å
50A98.6Very high98.5Very high13 Ų1350.2 Ų50.211%0.10731%0.306CS..EExtended strand (participates in β ladder)trans-136.543.2170.500000109.8G52 L53 L58 V130 A131A50-G52 PolarHBondContact O-N 3.3Å; A50-L53 HydrophobicContact CB-CD1 4.38Å; A50-L53 PolarHBondContact O-N 3.14Å; A50-L53 VanDerWaalsContact O-N 3.17Å; A50-L58 HydrophobicContact CB-CD1 3.76Å; A50-V130 HydrophobicContact CB-CG1 3.61Å; A50-A131 CarbonylContact C-O 3.52Å; A50-A131 PolarHBondContact N-O 3.3Å
51D97.8Very high98.5Very high96 Ų9650 Ų5051%0.51331%0.306SS..THydrogen-bonded Turntrans-49.5136.8175.8-63.7-83.3000111.2R49 L53R49-D51 WeakPolarHBondContact CB-OD2 3.27Å; R49-D51 IonicContact CZ-OD1 3.38Å; R49-D51 IonicContact CZ-OD2 3.73Å; R49-D51 IonicContact NE-OD1 3.2Å; R49-D51 IonicContact NE-OD2 2.8Å; R49-D51 PolarHBondContact NE-OD2 3.09Å; R49-D51 IonicContact NH2-OD1 2.73Å; R49-D51 PolarHBondContact NH2-OD1 3.13Å; R49-D51 IonicContact NH2-OD2 3.79Å; R49-D51 PolarHBondContact NH2-OD2 3.5Å; D51-L53 VanDerWaalsContact C-N 3.29Å; D51-L53 PolarHBondContact O-N 3.3Å
52G96.4Very high98.5Very high76 Ų7649.2 Ų49.278%0.78430%0.3SS*.THydrogen-bonded Turntrans81.1-2.9-18000000115.7A50A50-G52 PolarHBondContact O-N 3.3Å
53L98.6Very high98.5Very high43 Ų4346.1 Ų46.123%0.22527%0.271CS..  trans-104.5141.7172.2-57.2-179.4000110.9V10 A50 D51 L58 T132 G133V10-L53 HydrophobicContact CB-CD1 4.5Å; A50-L53 HydrophobicContact CB-CD1 4.38Å; A50-L53 PolarHBondContact O-N 3.14Å; A50-L53 VanDerWaalsContact O-N 3.17Å; D51-L53 VanDerWaalsContact C-N 3.29Å; D51-L53 PolarHBondContact O-N 3.3Å; L53-L58 HydrophobicContact CB-CD1 4.04Å; L53-L58 HydrophobicContact CB-CG 4.13Å; L53-L58 HydrophobicContact CD1-CD1 4.44Å; L53-L58 HydrophobicContact CD1-CD2 3.81Å; L53-L58 HydrophobicContact CD1-CG 4.19Å; L53-T132 WeakPolarHBondContact O-CB 3.41Å; L53-G133 PolarHBondContact O-N 2.83Å
54G98.6Very high98.4Very high24 Ų2449.1 Ų49.125%0.24728%0.275CS..  trans-85.1158.7171.500000112.1S56 Q57 L58G54-S56 PolarHBondContact O-N 2.86Å; G54-Q57 PolarHBondContact O-N 3.36Å; G54-L58 PolarHBondContact O-N 3.07Å
55I98.8Very high98.4Very high0 Ų048.9 Ų48.90%026%0.259CS..Hα-helixtrans-68-38.6-176.9-71.5173.5000110.7L30 D32 Q57 L58 L59 Y98 T132 E134 G139L30-I55 HydrophobicContact CB-CD1 4.18Å; L30-I55 HydrophobicContact CB-CG1 4.08Å; L30-I55 HydrophobicContact CB-CG2 3.89Å; L30-I55 HydrophobicContact CD1-CG2 3.86Å; L30-I55 WeakPolarHBondContact O-CD1 3.33Å; D32-I55 HydrophobicContact CB-CD1 4.38Å; I55-Q57 VanDerWaalsContact C-N 3.32Å; I55-Q57 PolarHBondContact O-N 3.16Å; I55-L58 PolarHBondContact O-N 2.78Å; I55-L59 WeakPolarHBondContact O-CB 3.25Å; I55-L59 PolarHBondContact O-N 2.87Å; I55-Y98 HydrophobicContact CB-CE1 4.06Å; I55-Y98 VanDerWaalsContact CB-OH 3.24Å; I55-Y98 WeakPolarHBondContact CB-OH 3.25Å; I55-Y98 HydrophobicContact CG2-CD1 4.46Å; I55-Y98 HydrophobicContact CG2-CE1 3.52Å; I55-Y98 HydrophobicContact CG2-CE2 4.34Å; I55-Y98 VanDerWaalsContact CG2-CZ 3.44Å; I55-Y98 WeakPolarHBondContact CG2-OH 3.44Å; I55-T132 HydrophobicContact CG1-CG2 3.86Å; I55-T132 WeakPolarHBondContact CG1-OG1 3.3Å; I55-E134 HydrophobicContact CB-CB 4.31Å; I55-E134 HydrophobicContact CB-CG 4.24Å; I55-E134 HydrophobicContact CD1-CB 3.87Å; I55-E134 HydrophobicContact CD1-CG 3.92Å; I55-E134 HydrophobicContact CG1-CB 3.69Å; I55-E134 HydrophobicContact CG1-CG 4Å; I55-E134 PolarHBondContact N-OE2 3.05Å; I55-E134 VanDerWaalsContact N-OE2 3.11Å; I55-G139 WeakPolarHBondContact CD1-O 3.32Å
56S98.6Very high98.4Very high31 Ų3149 Ų4922%0.21726%0.259CS..Hα-helixtrans-59.7-41.2180-53.60000112.7G54 E60 T97 L101G54-S56 PolarHBondContact O-N 2.86Å; S56-E60 PolarHBondContact O-N 3.34Å; S56-T97 WeakPolarHBondContact OG-CG2 3.29Å; S56-L101 WeakPolarHBondContact O-CD1 3.38Å
57Q98.4Very high98.4Very high93 Ų9345.6 Ų45.644%0.43525%0.247SC..Hα-helixtrans-66.1-43.3177.5-176.3-177.129.100111.6V10 G54 I55 A61V10-Q57 HydrophobicContact CG1-CG 4.34Å; G54-Q57 PolarHBondContact O-N 3.36Å; I55-Q57 VanDerWaalsContact C-N 3.32Å; I55-Q57 PolarHBondContact O-N 3.16Å; Q57-A61 PolarHBondContact O-N 2.66Å
58L98.8Very high98.3Very high1 Ų143.1 Ų43.11%0.00524%0.237CC..Hα-helixtrans-68.4-41.3176.9-79.4172.2000112L11 L15 A50 L53 G54 I55 E60 A61 I62 V130 T132L11-L58 HydrophobicContact CD2-CD2 4.38Å; L15-L58 HydrophobicContact CD2-CD2 4.13Å; A50-L58 HydrophobicContact CB-CD1 3.76Å; L53-L58 HydrophobicContact CB-CD1 4.04Å; L53-L58 HydrophobicContact CB-CG 4.13Å; L53-L58 HydrophobicContact CD1-CD1 4.44Å; L53-L58 HydrophobicContact CD1-CD2 3.81Å; L53-L58 HydrophobicContact CD1-CG 4.19Å; G54-L58 PolarHBondContact O-N 3.07Å; I55-L58 PolarHBondContact O-N 2.78Å; L58-E60 PolarHBondContact O-N 3.07Å; L58-A61 WeakPolarHBondContact O-CB 3.47Å; L58-A61 PolarHBondContact O-N 2.89Å; L58-I62 HydrophobicContact CB-CD1 4.34Å; L58-I62 WeakPolarHBondContact O-CB 3.48Å; L58-I62 WeakPolarHBondContact O-CD1 3.46Å; L58-I62 WeakPolarHBondContact O-CG1 3.38Å; L58-I62 PolarHBondContact O-N 3.11Å; L58-V130 HydrophobicContact CD1-CG1 4.25Å; L58-T132 HydrophobicContact CD1-CG2 3.63Å
59L98.8Very high98.3Very high0 Ų042.7 Ų42.70%024%0.235CC..Hα-helixtrans-59.1-49.1178.3178.461.5000110.6L30 I55 A61 I62 L63 Y98 L101 L141 L143L30-L59 HydrophobicContact CD1-CB 4.21Å; L30-L59 HydrophobicContact CD1-CD1 4.41Å; I55-L59 WeakPolarHBondContact O-CB 3.25Å; I55-L59 PolarHBondContact O-N 2.87Å; L59-A61 VanDerWaalsContact C-N 3.27Å; L59-A61 PolarHBondContact O-N 2.77Å; L59-I62 PolarHBondContact O-N 2.8Å; L59-L63 HydrophobicContact CD1-CD1 3.69Å; L59-L63 HydrophobicContact CD1-CD2 4.28Å; L59-L63 HydrophobicContact CD1-CG 3.81Å; L59-L63 HydrophobicContact CG-CD1 3.77Å; L59-L63 HydrophobicContact CG-CG 4.29Å; L59-L63 WeakPolarHBondContact O-CB 3.31Å; L59-L63 VanDerWaalsContact O-CG 3.23Å; L59-L63 WeakPolarHBondContact O-CG 3.39Å; L59-L63 PolarHBondContact O-N 3.15Å; L59-Y98 HydrophobicContact CD2-CD1 3.76Å; L59-Y98 HydrophobicContact CD2-CG 4.09Å; L59-L101 HydrophobicContact CB-CD1 4.33Å; L59-L101 HydrophobicContact CD2-CB 4Å; L59-L101 HydrophobicContact CD2-CD1 3.92Å; L59-L101 HydrophobicContact CG-CB 4.37Å; L59-L101 HydrophobicContact CG-CD1 4.27Å; L59-L141 HydrophobicContact CD1-CD2 3.72Å; L59-L141 HydrophobicContact CD2-CD2 3.66Å; L59-L141 HydrophobicContact CG-CD2 4.25Å; L59-L143 HydrophobicContact CD1-CD1 3.69Å; L59-L143 HydrophobicContact CD1-CD2 3.98Å; L59-L143 HydrophobicContact CD1-CG 4.37Å
60E98.6Very high98.2Very high96 Ų9641.7 Ų41.745%0.44924%0.244SC..Hα-helixtrans-58.1-40.6176.3-174179.5-163.700112.1S56 L58 L101S56-E60 PolarHBondContact O-N 3.34Å; L58-E60 PolarHBondContact O-N 3.07Å; E60-L101 HydrophobicContact CB-CD2 4Å; E60-L101 HydrophobicContact CG-CD2 4.18Å
61A98.7Very high98Very high4 Ų449.1 Ų49.13%0.03327%0.27CS..Hα-helixtrans-69-42.8177.600000112.8P8 V10 L11 Q57 L58 L59 K64P8-A61 HydrophobicContact CB-CB 3.64Å; P8-A61 HydrophobicContact CG-CB 4.03Å; V10-A61 HydrophobicContact CG2-CB 3.39Å; L11-A61 HydrophobicContact CD2-CB 3.89Å; L11-A61 HydrophobicContact CG-CB 4.19Å; Q57-A61 PolarHBondContact O-N 2.66Å; L58-A61 WeakPolarHBondContact O-CB 3.47Å; L58-A61 PolarHBondContact O-N 2.89Å; L59-A61 VanDerWaalsContact C-N 3.27Å; L59-A61 PolarHBondContact O-N 2.77Å; A61-K64 PolarHBondContact O-N 2.97Å
62I98.8Very high98Very high0 Ų047 Ų470%026%0.261CS..Hα-helixtrans-66.8-43.8-179-71.6163.7000110.6L11 L15 L19 L28 L30 L58 L59 K64 L65 L66 L143L11-I62 HydrophobicContact CD2-CG1 3.94Å; L15-I62 HydrophobicContact CD2-CD1 4.28Å; L15-I62 HydrophobicContact CD2-CG1 4.45Å; L19-I62 HydrophobicContact CD1-CG1 4.28Å; L19-I62 HydrophobicContact CD2-CG2 3.94Å; L28-I62 HydrophobicContact CD2-CD1 4Å; L28-I62 HydrophobicContact CD2-CG2 4.48Å; L30-I62 HydrophobicContact CD1-CD1 4.04Å; L30-I62 HydrophobicContact CD2-CD1 3.66Å; L30-I62 HydrophobicContact CG-CD1 4.43Å; L58-I62 HydrophobicContact CB-CD1 4.34Å; L58-I62 WeakPolarHBondContact O-CB 3.48Å; L58-I62 WeakPolarHBondContact O-CD1 3.46Å; L58-I62 WeakPolarHBondContact O-CG1 3.38Å; L58-I62 PolarHBondContact O-N 3.11Å; L59-I62 PolarHBondContact O-N 2.8Å; I62-K64 PolarHBondContact O-N 2.76Å; I62-K64 VanDerWaalsContact O-N 3.14Å; I62-L65 PolarHBondContact O-N 2.94Å; I62-L66 HydrophobicContact CG2-CB 3.72Å; I62-L66 HydrophobicContact CG2-CD2 3.74Å; I62-L66 HydrophobicContact CG2-CG 4.36Å; I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 PolarHBondContact O-N 2.88Å; I62-L143 HydrophobicContact CG2-CD1 4.13Å
63L98.5Very high97.9Very high23 Ų2350.5 Ų50.512%0.1226%0.261CS..Hα-helixtrans-64.8-17-178-70.1174000113.9L59 L65 L68 L101 L102 A105L59-L63 HydrophobicContact CD1-CD1 3.69Å; L59-L63 HydrophobicContact CD1-CD2 4.28Å; L59-L63 HydrophobicContact CD1-CG 3.81Å; L59-L63 HydrophobicContact CG-CD1 3.77Å; L59-L63 HydrophobicContact CG-CG 4.29Å; L59-L63 WeakPolarHBondContact O-CB 3.31Å; L59-L63 VanDerWaalsContact O-CG 3.23Å; L59-L63 WeakPolarHBondContact O-CG 3.39Å; L59-L63 PolarHBondContact O-N 3.15Å; L63-L65 PolarHBondContact O-N 2.77Å; L63-L68 HydrophobicContact CD2-CD1 3.75Å; L63-L68 HydrophobicContact CD2-CD2 3.92Å; L63-L68 HydrophobicContact CD2-CG 3.9Å; L63-L101 HydrophobicContact CD1-CB 4.38Å; L63-L102 HydrophobicContact CD1-CD2 4.07Å; L63-L102 HydrophobicContact CD2-CD2 4.09Å; L63-A105 HydrophobicContact CB-CB 3.85Å; L63-A105 HydrophobicContact CD1-CB 3.85Å; L63-A105 HydrophobicContact CD2-CB 4.29Å; L63-A105 HydrophobicContact CG-CB 4.21Å
64K97.8Very high97.8Very high138 Ų13853.7 Ų53.760%0.627%0.27SS*.THydrogen-bonded Turntrans-69.7-20170.5-69.8173.7-178.4177.70113.1P8 A61 I62P8-K64 HydrophobicContact CG-CB 4.43Å; P8-K64 HydrophobicContact CG-CD 3.8Å; A61-K64 PolarHBondContact O-N 2.97Å; I62-K64 PolarHBondContact O-N 2.76Å; I62-K64 VanDerWaalsContact O-N 3.14Å
65L97.9Very high97.8Very high58 Ų5852.7 Ų52.730%0.30426%0.26SS..THydrogen-bonded Turntrans-122.3-32.1-173.3-54.2179.8000113.2I7 L11 L16 I62 L63 P67I7-L65 HydrophobicContact CD1-CD1 4.12Å; I7-L65 HydrophobicContact CD1-CD2 3.78Å; I7-L65 HydrophobicContact CG2-CD1 4.28Å; L11-L65 HydrophobicContact CD1-CD1 3.51Å; L16-L65 HydrophobicContact CD1-CD1 3.81Å; I62-L65 PolarHBondContact O-N 2.94Å; L63-L65 PolarHBondContact O-N 2.77Å; L65-P67 WeakPolarHBondContact O-CD 3.44Å
66L98.3Very high97.8Very high6 Ų652.9 Ų52.93%0.03126%0.261CS..  trans-92.8110.1-175.1-172.873.5000110.2L19 I62 L143 K145L19-L66 HydrophobicContact CD2-CB 4.45Å; L19-L66 HydrophobicContact CD2-CD1 4.07Å; L19-L66 HydrophobicContact CD2-CD2 4.39Å; I62-L66 HydrophobicContact CG2-CB 3.72Å; I62-L66 HydrophobicContact CG2-CD2 3.74Å; I62-L66 HydrophobicContact CG2-CG 4.36Å; I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 PolarHBondContact O-N 2.88Å; L66-L143 HydrophobicContact CD2-CB 4.19Å; L66-L143 HydrophobicContact CD2-CD1 4.22Å; L66-K145 HydrophobicContact CD1-CB 3.93Å; L66-K145 HydrophobicContact CD1-CD 3.62Å; L66-K145 HydrophobicContact CD1-CG 3.62Å
67P97.5Very high97.8Very high27 Ų2751.4 Ų51.418%0.17525%0.251CS..  trans-65.8136.4170.130.9-36.7000109L65 K145 G146 I148L65-P67 WeakPolarHBondContact O-CD 3.44Å; P67-K145 HydrophobicContact CG-CG 4.35Å; P67-K145 WeakPolarHBondContact O-CA 3.4Å; P67-G146 PolarHBondContact O-N 2.97Å; P67-I148 HydrophobicContact CB-CD1 4.44Å; P67-I148 HydrophobicContact CB-CG1 3.88Å; P67-I148 HydrophobicContact CG-CD1 4.17Å; P67-I148 HydrophobicContact CG-CG1 3.89Å
68L98.2Very high97.8Very high26 Ų2647 Ų4714%0.13623%0.23CC..BIsolated β-bridgetrans-86.5147.9174.1-65.8175.9000110.9L63 T70 P75 L102 L143L63-L68 HydrophobicContact CD2-CD1 3.75Å; L63-L68 HydrophobicContact CD2-CD2 3.92Å; L63-L68 HydrophobicContact CD2-CG 3.9Å; L68-T70 PolarHBondContact O-N 2.89Å; L68-P75 HydrophobicContact CB-CB 4.13Å; L68-P75 HydrophobicContact CB-CG 4.09Å; L68-P75 HydrophobicContact CD1-CG 4.49Å; L68-L102 HydrophobicContact CD1-CD2 3.57Å; L68-L143 HydrophobicContact CD2-CB 4.45Å; L68-L143 HydrophobicContact CD2-CD2 4.22Å
69D97.8Very high97.8Very high6 Ų647.3 Ų47.33%0.03223%0.232CC..  trans-70.1115.1-177.9-165.7-12.9000112.4H24 Y71 V72 P75 K144 G146H24-D69 VanDerWaalsContact CE1-CG 3.47Å; H24-D69 IonicContact CE1-OD1 3.92Å; H24-D69 PolarHBondContact CE1-OD1 2.9Å; H24-D69 IonicContact CE1-OD2 3.47Å; H24-D69 PolarHBondContact CE1-OD2 3.39Å; H24-D69 VanDerWaalsContact CE1-OD2 3.23Å; H24-D69 IonicContact ND1-OD2 3.39Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.48Å; D69-Y71 PolarHBondContact OD1-N 3.32Å; D69-V72 HydrophobicContact CB-CG2 3.95Å; D69-P75 HydrophobicContact CB-CB 4.24Å; D69-P75 WeakPolarHBondContact O-CB 3.46Å; D69-K144 HydrophobicContact CB-CB 4.17Å; D69-K144 HydrophobicContact CB-CD 4.09Å; D69-K144 HydrophobicContact CB-CG 3.93Å; D69-K144 PolarHBondContact N-O 3.16Å; D69-K144 WeakPolarHBondContact OD2-CD 3.46Å; D69-K144 WeakPolarHBondContact OD2-CE 3.27Å; D69-G146 VanDerWaalsContact CA-CA 3.4Å
70T95.9Very high97.8Very high114 Ų11448.9 Ų48.970%0.69924%0.24SC*.SBendtrans-91.3-3.2178.457.60000113.3L68 V72L68-T70 PolarHBondContact O-N 2.89Å; T70-V72 VanDerWaalsContact C-N 3.32Å
71Y95.9Very high97.8Very high169 Ų16945.2 Ų45.266%0.66322%0.223SC*.SBendtrans-90.10.9176.9-62.9-79.1000113H24 D69 V147H24-Y71 AromaticContact CE1-CD2 3.82Å; H24-Y71 AromaticContact NE2-CD2 3.64Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.48Å; D69-Y71 PolarHBondContact OD1-N 3.32Å; Y71-V147 HydrophobicContact CE2-CG1 4.39Å; Y71-V147 HydrophobicContact CE2-CG2 3.8Å
72V96.3Very high97.7Very high52 Ų5247.2 Ų47.232%0.31524%0.235SC..SBendtrans-122149.7174.8-60.50000110.1D69 T70 R74 P75 K144D69-V72 HydrophobicContact CB-CG2 3.95Å; T70-V72 VanDerWaalsContact C-N 3.32Å; V72-R74 VanDerWaalsContact C-N 3.25Å; V72-R74 PolarHBondContact O-N 3.06Å; V72-P75 HydrophobicContact CG2-CB 4.08Å; V72-K144 HydrophobicContact CG1-CD 4.15Å; V72-K144 HydrophobicContact CG2-CD 4.13Å
73D95.1Very high97.6Very high150 Ų15052.7 Ų52.780%0.80226%0.264SS*.SBendtrans-61.7-36.3-179.8-64.1-25.7000112.3S109D73-S109 WeakPolarHBondContact O-CB 3.25Å; D73-S109 PolarHBondContact O-OG 2.83Å
74R97.3Very high97.5Very high109 Ų10954.7 Ų54.741%0.41128%0.28SS..  trans-137.698.8-175.3-60.4-175.4179.6158.6-2.5110.6V72 A76 S110 E112V72-R74 VanDerWaalsContact C-N 3.25Å; V72-R74 PolarHBondContact O-N 3.06Å; R74-A76 PolarHBondContact O-N 3.18Å; R74-S110 WeakPolarHBondContact CD-O 3.41Å; R74-S110 WeakPolarHBondContact CG-O 3.46Å; R74-S110 PolarHBondContact NE-OG 2.79Å; R74-E112 HydrophobicContact CB-CB 3.92Å; R74-E112 HydrophobicContact CG-CB 4.44Å
75P98.1Very high97.5Very high4 Ų449.3 Ų49.33%0.02626%0.258CS..SBendtrans-78.6-2.9178.430.9-34.6000113.4L68 D69 V72 L143 K144L68-P75 HydrophobicContact CB-CB 4.13Å; L68-P75 HydrophobicContact CB-CG 4.09Å; L68-P75 HydrophobicContact CD1-CG 4.49Å; D69-P75 HydrophobicContact CB-CB 4.24Å; D69-P75 WeakPolarHBondContact O-CB 3.46Å; V72-P75 HydrophobicContact CG2-CB 4.08Å; P75-L143 CarbonylContact O-C 3.59Å; P75-K144 HydrophobicContact CB-CB 4.42Å; P75-K144 PolarHBondContact O-N 3.28Å
76A98.8Very high97.4Very high3 Ų351 Ų513%0.02526%0.263CS..EExtended strand (participates in β ladder)trans-129.6131.3-179.200000110.8R74 L102 L111 E112 L141 I142 L143R74-A76 PolarHBondContact O-N 3.18Å; A76-L102 HydrophobicContact CB-CD1 3.58Å; A76-L102 HydrophobicContact CB-CD2 4.13Å; A76-L111 HydrophobicContact CB-CD2 3.84Å; A76-E112 PolarHBondContact O-N 3.19Å; A76-L141 HydrophobicContact CB-CD1 4.23Å; A76-I142 CarbonylContact C-O 3.6Å; A76-I142 VanDerWaalsContact CA-O 3.24Å; A76-I142 WeakPolarHBondContact CA-O 3.44Å; A76-L143 HydrophobicContact CB-CD2 4.08Å
77A98.8Very high97.3Very high0 Ų058.2 Ų58.20%030%0.297CS..EExtended strand (participates in β ladder)trans-132140.8-177.400000112.1E112 M114 L141 I142A77-E112 CarbonylContact C-O 3.54Å; A77-E112 VanDerWaalsContact CA-O 3.3Å; A77-E112 WeakPolarHBondContact CA-O 3.42Å; A77-E112 HydrophobicContact CB-CB 3.81Å; A77-E112 HydrophobicContact CB-CG 4.41Å; A77-M114 HydrophobicContact CB-CG 4.18Å; A77-M114 HydrophobicContact CB-SD 3.82Å; A77-L141 CarbonylContact O-C 3.57Å; A77-L141 WeakPolarHBondContact O-CA 3.33Å; A77-I142 HydrophobicContact CB-CB 4.33Å; A77-I142 PolarHBondContact N-O 3.4Å; A77-I142 PolarHBondContact O-N 3.41Å
78V98.9Very high97.3Very high0 Ų065.8 Ų65.80%032%0.322CS..EExtended strand (participates in β ladder)trans-119.1158.8173.9-64.10000110.1D80 W95 Y98 L111 E112 K113 M114 L141V78-D80 PolarHBondContact O-N 3.25Å; V78-W95 HydrophobicContact CB-CZ2 4.36Å; V78-W95 HydrophobicContact CG2-CD2 4.02Å; V78-W95 HydrophobicContact CG2-CG 4.45Å; V78-W95 HydrophobicContact CG2-CH2 4.33Å; V78-W95 HydrophobicContact CG2-CZ2 3.84Å; V78-Y98 HydrophobicContact CG1-CD2 4.27Å; V78-L111 HydrophobicContact CG1-CD1 3.98Å; V78-L111 HydrophobicContact CG1-CD2 4.25Å; V78-L111 HydrophobicContact CG2-CB 4.24Å; V78-L111 HydrophobicContact CG2-CD1 4.48Å; V78-E112 PolarHBondContact N-O 3.39Å; V78-K113 HydrophobicContact CG2-CG 4.29Å; V78-M114 PolarHBondContact O-N 2.89Å; V78-L141 HydrophobicContact CG1-CD1 3.83Å
79M98.6Very high97.1Very high9 Ų969.8 Ų69.84%0.04435%0.351CS..EExtended strand (participates in β ladder)trans-75.3122.3172.7-175.2-179.5-64.200109.7F35 W95 M114 R116 F119 Y120 Y138F35-M79 HydrophobicContact CE2-CE 4.46Å; M79-W95 WeakPolarHBondContact O-CZ2 3.48Å; M79-M114 CarbonylContact C-O 3.52Å; M79-R116 HydrophobicContact CE-CG 4.13Å; M79-R116 HydrophobicContact CG-CB 4.22Å; M79-R116 HydrophobicContact SD-CB 3.98Å; M79-R116 HydrophobicContact SD-CG 3.74Å; M79-F119 HydrophobicContact CB-CB 4.42Å; M79-F119 HydrophobicContact CB-CD2 3.97Å; M79-F119 HydrophobicContact CB-CE2 4.36Å; M79-F119 HydrophobicContact CB-CG 4.06Å; M79-F119 HydrophobicContact CE-CB 4.11Å; M79-F119 HydrophobicContact CE-CD1 3.67Å; M79-F119 HydrophobicContact CE-CE1 4.36Å; M79-F119 HydrophobicContact CE-CG 4Å; M79-F119 HydrophobicContact CG-CB 4.41Å; M79-Y120 HydrophobicContact CE-CD1 4.23Å; M79-Y120 HydrophobicContact CE-CE1 3.66Å; M79-Y138 HydrophobicContact CB-CD1 4.43Å; M79-Y138 HydrophobicContact CG-CD1 4.26Å; M79-Y138 WeakPolarHBondContact O-CD1 3.39Å; M79-Y138 HydrophobicContact SD-CD1 4.46Å
80D98.4Very high97.1Very high32 Ų3272 Ų7217%0.17136%0.362CS..PPolyproline II helixtrans-68.5158.5176.1-162.115.7000111.6V78 K86 K113 M114 Y138V78-D80 PolarHBondContact O-N 3.25Å; D80-K86 IonicContact OD1-NZ 2.71Å; D80-K86 VanDerWaalsContact OD2-CE 3.26Å; D80-K86 WeakPolarHBondContact OD2-CE 3.22Å; D80-K86 IonicContact OD2-NZ 3.66Å; D80-K86 PolarHBondContact OD2-NZ 2.97Å; D80-K113 HydrophobicContact CB-CB 3.96Å; D80-M114 WeakPolarHBondContact CB-O 3.28Å; D80-M114 PolarHBondContact N-O 2.97Å; D80-Y138 WeakPolarHBondContact O-CE1 3.2Å
81L97.5Very high97.1Very high19 Ų1970.3 Ų70.310%0.09936%0.36CS..PPolyproline II helixtrans-65.2140.3176-74.469.4000110.1D85 K86 L90 V92 W95 Y138L81-D85 HydrophobicContact CB-CB 4.28Å; L81-D85 HydrophobicContact CD2-CB 4.18Å; L81-D85 HydrophobicContact CG-CB 4.37Å; L81-K86 HydrophobicContact CB-CD 4.41Å; L81-K86 HydrophobicContact CB-CG 3.56Å; L81-K86 HydrophobicContact CD2-CG 4.36Å; L81-K86 WeakPolarHBondContact O-CE 3.3Å; L81-K86 PolarHBondContact O-NZ 3Å; L81-K86 VanDerWaalsContact O-NZ 3.15Å; L81-L90 HydrophobicContact CD2-CB 3.96Å; L81-L90 WeakPolarHBondContact CD2-O 3.46Å; L81-V92 HydrophobicContact CD1-CG2 3.76Å; L81-V92 HydrophobicContact CD2-CG2 4.46Å; L81-V92 HydrophobicContact CG-CG2 4.31Å; L81-W95 HydrophobicContact CD1-CH2 3.22Å; L81-W95 HydrophobicContact CD1-CZ2 3.9Å; L81-W95 HydrophobicContact CD1-CZ3 3.84Å; L81-Y138 HydrophobicContact CG-CE2 4.37Å
82V97.2Very high97.2Very high46 Ų4663.1 Ų63.128%0.27933%0.334SS..PPolyproline II helixtrans-68.6158.3165.1-56.20000110.2S84 D85 K86 Y138V82-S84 VanDerWaalsContact C-N 3.26Å; V82-S84 WeakPolarHBondContact CG2-OG 3.4Å; V82-S84 PolarHBondContact O-N 3.01Å; V82-S84 VanDerWaalsContact O-N 3.16Å; V82-D85 HydrophobicContact CG2-CB 4.24Å; V82-D85 PolarHBondContact O-N 2.97Å; V82-K86 PolarHBondContact O-N 3.05Å; V82-Y138 PolarHBondContact N-OH 3.14Å
83D96.8Very high97.2Very high115 Ų11564.8 Ų64.862%0.61535%0.346SS*.Hα-helixtrans-56.2-37.9-172.8-67.5-22000113.7D85 K86 Q87D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 PolarHBondContact O-N 3.38Å; D83-K86 PolarHBondContact O-N 3.39Å; D83-Q87 WeakPolarHBondContact O-CB 3.16Å; D83-Q87 VanDerWaalsContact O-CG 3.24Å; D83-Q87 WeakPolarHBondContact O-CG 3.48Å; D83-Q87 PolarHBondContact O-N 3.29Å
84S96.9Very high97.4Very high66 Ų6658.3 Ų58.346%0.46231%0.311SS..Hα-helixtrans-63.9-35.3177.656.70000112.9V82 R88V82-S84 VanDerWaalsContact C-N 3.26Å; V82-S84 WeakPolarHBondContact CG2-OG 3.4Å; V82-S84 PolarHBondContact O-N 3.01Å; V82-S84 VanDerWaalsContact O-N 3.16Å; S84-R88 WeakPolarHBondContact O-CD 3.24Å; S84-R88 VanDerWaalsContact O-CG 3.23Å; S84-R88 WeakPolarHBondContact O-CG 3.39Å; S84-R88 PolarHBondContact O-N 3.44Å
85D97.1Very high97.4Very high25 Ų2554.2 Ų54.213%0.13430%0.296CS..Hα-helixtrans-80.6-30.8178.7-71.6-22.5000111.6L81 V82 D83 R88 C89 L90 Y138L81-D85 HydrophobicContact CB-CB 4.28Å; L81-D85 HydrophobicContact CD2-CB 4.18Å; L81-D85 HydrophobicContact CG-CB 4.37Å; V82-D85 HydrophobicContact CG2-CB 4.24Å; V82-D85 PolarHBondContact O-N 2.97Å; D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 PolarHBondContact O-N 3.38Å; D85-R88 PolarHBondContact O-N 3.5Å; D85-R88 IonicContact OD1-NH1 3.11Å; D85-R88 PolarHBondContact OD1-NH1 2.96Å; D85-C89 PolarHBondContact O-N 3.28Å; D85-L90 HydrophobicContact CB-CB 4.09Å; D85-L90 HydrophobicContact CB-CD2 3.98Å; D85-L90 WeakPolarHBondContact O-CB 3.37Å; D85-L90 PolarHBondContact O-N 3.04Å; D85-Y138 WeakPolarHBondContact OD2-CE2 3.39Å; D85-Y138 PolarHBondContact OD2-OH 3.47Å
86K96.5Very high97.4Very high92 Ų9259.1 Ų59.140%0.432%0.322SS..Hα-helixtrans-61.7-46.9168.8-70.3176.6171.1156.50111.5D80 L81 V82 D83 R88 C89D80-K86 IonicContact OD1-NZ 2.71Å; D80-K86 VanDerWaalsContact OD2-CE 3.26Å; D80-K86 WeakPolarHBondContact OD2-CE 3.22Å; D80-K86 IonicContact OD2-NZ 3.66Å; D80-K86 PolarHBondContact OD2-NZ 2.97Å; L81-K86 HydrophobicContact CB-CD 4.41Å; L81-K86 HydrophobicContact CB-CG 3.56Å; L81-K86 HydrophobicContact CD2-CG 4.36Å; L81-K86 WeakPolarHBondContact O-CE 3.3Å; L81-K86 PolarHBondContact O-NZ 3Å; L81-K86 VanDerWaalsContact O-NZ 3.15Å; V82-K86 PolarHBondContact O-N 3.05Å; D83-K86 PolarHBondContact O-N 3.39Å; K86-R88 PolarHBondContact O-N 2.93Å; K86-C89 PolarHBondContact O-N 3.48Å
87Q96.9Very high97.4Very high158 Ų15861.6 Ų61.674%0.73834%0.337SS*.Hα-helixtrans-61.3-31.3177.9-73.3170.221.700112.5D83 C89D83-Q87 WeakPolarHBondContact O-CB 3.16Å; D83-Q87 VanDerWaalsContact O-CG 3.24Å; D83-Q87 WeakPolarHBondContact O-CG 3.48Å; D83-Q87 PolarHBondContact O-N 3.29Å; Q87-C89 VanDerWaalsContact C-N 3.27Å
88R96.5Very high97.4Very high187 Ų18761.6 Ų61.671%0.70634%0.337SS*.THydrogen-bonded Turntrans-85.11.8176.2-67.4170.266.1-154.13.1113.5S84 D85 K86 L90S84-R88 WeakPolarHBondContact O-CD 3.24Å; S84-R88 VanDerWaalsContact O-CG 3.23Å; S84-R88 WeakPolarHBondContact O-CG 3.39Å; S84-R88 PolarHBondContact O-N 3.44Å; D85-R88 PolarHBondContact O-N 3.5Å; D85-R88 IonicContact OD1-NH1 3.11Å; D85-R88 PolarHBondContact OD1-NH1 2.96Å; K86-R88 PolarHBondContact O-N 2.93Å; R88-L90 PolarHBondContact O-N 3.49Å
89C95.1Very high97.4Very high110 Ų11063.7 Ų63.774%0.74335%0.354SS*.THydrogen-bonded Turntrans50.942.5-175.9-59.60000112.3D85 K86 Q87 A91D85-C89 PolarHBondContact O-N 3.28Å; K86-C89 PolarHBondContact O-N 3.48Å; Q87-C89 VanDerWaalsContact C-N 3.27Å; C89-A91 PolarHBondContact O-N 3.24Å
90L96.7Very high97.3Very high51 Ų5168.3 Ų68.327%0.26738%0.375SS..  trans-59.2123.6-179.9-177.969.7000109.9L81 D85 R88 L137 Y138L81-L90 HydrophobicContact CD2-CB 3.96Å; L81-L90 WeakPolarHBondContact CD2-O 3.46Å; D85-L90 HydrophobicContact CB-CB 4.09Å; D85-L90 HydrophobicContact CB-CD2 3.98Å; D85-L90 WeakPolarHBondContact O-CB 3.37Å; D85-L90 PolarHBondContact O-N 3.04Å; R88-L90 PolarHBondContact O-N 3.49Å; L90-L137 HydrophobicContact CD2-CD1 4.35Å; L90-Y138 HydrophobicContact CD2-CD2 4.16Å; L90-Y138 HydrophobicContact CD2-CE2 3.75Å
91A95.9Very high97.3Very high80 Ų8067.7 Ų67.766%0.66137%0.372SS*.  trans-78.7138.1175.200000110.8C89 P93C89-A91 PolarHBondContact O-N 3.24Å; A91-P93 VanDerWaalsContact C-CD 3.48Å; A91-P93 WeakPolarHBondContact O-CD 3.24Å
92V97.3Very high97.4Very high18 Ų1866.9 Ų66.911%0.10937%0.368CS..  trans-123.970.5177-168.60000109.8L81 V94 W95 Y138L81-V92 HydrophobicContact CD1-CG2 3.76Å; L81-V92 HydrophobicContact CD2-CG2 4.46Å; L81-V92 HydrophobicContact CG-CG2 4.31Å; V92-V94 HydrophobicContact CG1-CG1 3.88Å; V92-V94 PolarHBondContact O-N 3.42Å; V92-V94 VanDerWaalsContact O-N 3.12Å; V92-W95 HydrophobicContact CB-CD2 3.94Å; V92-W95 HydrophobicContact CB-CE3 4.21Å; V92-W95 HydrophobicContact CB-CG 4.29Å; V92-W95 HydrophobicContact CB-CZ2 4.35Å; V92-W95 HydrophobicContact CG1-CD2 3.72Å; V92-W95 VanDerWaalsContact CG1-CE2 3.46Å; V92-W95 HydrophobicContact CG1-CE3 4.47Å; V92-W95 HydrophobicContact CG1-CG 3.78Å; V92-W95 HydrophobicContact CG1-CZ2 4.05Å; V92-W95 VanDerWaalsContact CG1-NE1 3.34Å; V92-W95 HydrophobicContact CG2-CZ2 4.39Å; V92-W95 WeakPolarHBondContact O-CB 3.2Å; V92-W95 PolarHBondContact O-N 3.25Å; V92-W95 VanDerWaalsContact O-N 3.15Å; V92-Y138 HydrophobicContact CG2-CD2 4.33Å
93P97.3Very high97.4Very high87 Ų8767.3 Ų67.357%0.56537%0.373SS*.THydrogen-bonded Turntrans-64.7-19.3-171.826.5-35.7000113.7A91 W95 D96 T97A91-P93 VanDerWaalsContact C-CD 3.48Å; A91-P93 WeakPolarHBondContact O-CD 3.24Å; P93-W95 PolarHBondContact O-N 2.98Å; P93-D96 PolarHBondContact O-N 3.39Å; P93-T97 PolarHBondContact O-N 3.44Å
94V98.2Very high97.4Very high13 Ų1370.9 Ų70.98%0.07938%0.378CS..Hα-helixtrans-63.9-27.8177.475.80000111.8V92 D96 T97 Y98 A136V92-V94 HydrophobicContact CG1-CG1 3.88Å; V92-V94 PolarHBondContact O-N 3.42Å; V92-V94 VanDerWaalsContact O-N 3.12Å; V94-D96 PolarHBondContact O-N 3.02Å; V94-T97 WeakPolarHBondContact O-CB 3.47Å; V94-T97 PolarHBondContact O-N 2.83Å; V94-Y98 HydrophobicContact CG1-CE2 4.25Å; V94-Y98 HydrophobicContact CG2-CD1 4.34Å; V94-Y98 HydrophobicContact CG2-CE1 3.55Å; V94-Y98 HydrophobicContact CG2-CE2 4.12Å; V94-Y98 VanDerWaalsContact CG2-CZ 3.42Å; V94-Y98 WeakPolarHBondContact CG2-OH 3.25Å; V94-Y98 WeakPolarHBondContact O-CD1 3.35Å; V94-Y98 PolarHBondContact O-N 2.96Å; V94-A136 HydrophobicContact CB-CB 3.98Å; V94-A136 HydrophobicContact CG1-CB 4.02Å; V94-A136 HydrophobicContact CG2-CB 4.18Å
95W98.4Very high97.3Very high24 Ų2470.2 Ų70.29%0.09138%0.376CS..Hα-helixtrans-65.4-37.6176.1-67.2-4.2000113.1V78 M79 L81 V92 P93 T97 Y98 A99 L111 K113 Y138V78-W95 HydrophobicContact CB-CZ2 4.36Å; V78-W95 HydrophobicContact CG2-CD2 4.02Å; V78-W95 HydrophobicContact CG2-CG 4.45Å; V78-W95 HydrophobicContact CG2-CH2 4.33Å; V78-W95 HydrophobicContact CG2-CZ2 3.84Å; M79-W95 WeakPolarHBondContact O-CZ2 3.48Å; L81-W95 HydrophobicContact CD1-CH2 3.22Å; L81-W95 HydrophobicContact CD1-CZ2 3.9Å; L81-W95 HydrophobicContact CD1-CZ3 3.84Å; V92-W95 HydrophobicContact CB-CD2 3.94Å; V92-W95 HydrophobicContact CB-CE3 4.21Å; V92-W95 HydrophobicContact CB-CG 4.29Å; V92-W95 HydrophobicContact CB-CZ2 4.35Å; V92-W95 HydrophobicContact CG1-CD2 3.72Å; V92-W95 VanDerWaalsContact CG1-CE2 3.46Å; V92-W95 HydrophobicContact CG1-CE3 4.47Å; V92-W95 HydrophobicContact CG1-CG 3.78Å; V92-W95 HydrophobicContact CG1-CZ2 4.05Å; V92-W95 VanDerWaalsContact CG1-NE1 3.34Å; V92-W95 HydrophobicContact CG2-CZ2 4.39Å; V92-W95 WeakPolarHBondContact O-CB 3.2Å; V92-W95 PolarHBondContact O-N 3.25Å; V92-W95 VanDerWaalsContact O-N 3.15Å; P93-W95 PolarHBondContact O-N 2.98Å; W95-T97 VanDerWaalsContact C-N 3.26Å; W95-T97 PolarHBondContact O-N 2.78Å; W95-Y98 PolarHBondContact O-N 2.89Å; W95-A99 WeakPolarHBondContact O-CB 3.41Å; W95-A99 PolarHBondContact O-N 3.4Å; W95-L111 HydrophobicContact CB-CD1 3.94Å; W95-L111 HydrophobicContact CG-CD1 4.31Å; W95-K113 HydrophobicContact CH2-CD 4.33Å; W95-K113 HydrophobicContact CZ3-CD 3.95Å; W95-K113 VanDerWaalsContact CZ3-CE 3.44Å; W95-K113 HydrophobicContact CZ3-CG 4.4Å; W95-Y138 PolarHBondContact NE1-O 3.01Å
96D98.2Very high96.9Very high106 Ų10671.8 Ų71.857%0.56740%0.399SS*.Hα-helixtrans-64.4-38.1176-62.4-38.4000110.5P93 V94 A99 Q100P93-D96 PolarHBondContact O-N 3.39Å; V94-D96 PolarHBondContact O-N 3.02Å; D96-A99 PolarHBondContact O-N 3.29Å; D96-Q100 WeakPolarHBondContact O-CB 3.49Å; D96-Q100 VanDerWaalsContact O-CG 3.25Å; D96-Q100 WeakPolarHBondContact O-CG 3.29Å; D96-Q100 PolarHBondContact O-N 2.98Å
97T98.3Very high96.7Very high56 Ų5668.2 Ų68.234%0.34439%0.385SS..Hα-helixtrans-63.2-45.1175-560000110.9S56 P93 V94 W95 Q100 L101S56-T97 WeakPolarHBondContact OG-CG2 3.29Å; P93-T97 PolarHBondContact O-N 3.44Å; V94-T97 WeakPolarHBondContact O-CB 3.47Å; V94-T97 PolarHBondContact O-N 2.83Å; W95-T97 VanDerWaalsContact C-N 3.26Å; W95-T97 PolarHBondContact O-N 2.78Å; T97-Q100 PolarHBondContact O-N 3.13Å; T97-L101 HydrophobicContact CG2-CD1 4.24Å; T97-L101 WeakPolarHBondContact O-CG 3.25Å; T97-L101 PolarHBondContact O-N 3.19Å
98Y98.6Very high96.3Very high0 Ų068.3 Ų68.30%039%0.385CS..Hα-helixtrans-63.2-45176.4-60.2-17.6000112.1I55 L59 V78 V94 W95 Q100 L101 L102 G139 L141I55-Y98 HydrophobicContact CB-CE1 4.06Å; I55-Y98 VanDerWaalsContact CB-OH 3.24Å; I55-Y98 WeakPolarHBondContact CB-OH 3.25Å; I55-Y98 HydrophobicContact CG2-CD1 4.46Å; I55-Y98 HydrophobicContact CG2-CE1 3.52Å; I55-Y98 HydrophobicContact CG2-CE2 4.34Å; I55-Y98 VanDerWaalsContact CG2-CZ 3.44Å; I55-Y98 WeakPolarHBondContact CG2-OH 3.44Å; L59-Y98 HydrophobicContact CD2-CD1 3.76Å; L59-Y98 HydrophobicContact CD2-CG 4.09Å; V78-Y98 HydrophobicContact CG1-CD2 4.27Å; V94-Y98 HydrophobicContact CG1-CE2 4.25Å; V94-Y98 HydrophobicContact CG2-CD1 4.34Å; V94-Y98 HydrophobicContact CG2-CE1 3.55Å; V94-Y98 HydrophobicContact CG2-CE2 4.12Å; V94-Y98 VanDerWaalsContact CG2-CZ 3.42Å; V94-Y98 WeakPolarHBondContact CG2-OH 3.25Å; V94-Y98 WeakPolarHBondContact O-CD1 3.35Å; V94-Y98 PolarHBondContact O-N 2.96Å; W95-Y98 PolarHBondContact O-N 2.89Å; Y98-Q100 VanDerWaalsContact C-N 3.3Å; Y98-Q100 PolarHBondContact O-N 3.2Å; Y98-L101 PolarHBondContact O-N 3.11Å; Y98-L102 WeakPolarHBondContact O-CB 3.46Å; Y98-L102 VanDerWaalsContact O-CG 3.25Å; Y98-L102 WeakPolarHBondContact O-CG 3.37Å; Y98-L102 PolarHBondContact O-N 3.33Å; Y98-G139 WeakPolarHBondContact CE2-O 3.48Å; Y98-G139 PolarHBondContact OH-O 2.73Å; Y98-L141 HydrophobicContact CD2-CB 4.43Å; Y98-L141 HydrophobicContact CD2-CD1 4.31Å; Y98-L141 HydrophobicContact CD2-CD2 4.16Å; Y98-L141 HydrophobicContact CE2-CB 4.21Å; Y98-L141 HydrophobicContact CG-CD2 4.22Å
99A98.2Very high96.1Very high43 Ų4361.7 Ų61.736%0.35537%0.368SS..Hα-helixtrans-59.3-41.8177.700000111.7W95 D96 S103W95-A99 WeakPolarHBondContact O-CB 3.41Å; W95-A99 PolarHBondContact O-N 3.4Å; D96-A99 PolarHBondContact O-N 3.29Å; A99-S103 VanDerWaalsContact O-CB 3.29Å; A99-S103 WeakPolarHBondContact O-CB 3.42Å; A99-S103 PolarHBondContact O-N 3.47Å
100Q98.2Very high96Very high107 Ų10759.8 Ų59.850%0.536%0.356SS..Hα-helixtrans-63.7-43.1175.4-72.8173.81800112.5D96 T97 Y98 S103 R104D96-Q100 WeakPolarHBondContact O-CB 3.49Å; D96-Q100 VanDerWaalsContact O-CG 3.25Å; D96-Q100 WeakPolarHBondContact O-CG 3.29Å; D96-Q100 PolarHBondContact O-N 2.98Å; T97-Q100 PolarHBondContact O-N 3.13Å; Y98-Q100 VanDerWaalsContact C-N 3.3Å; Y98-Q100 PolarHBondContact O-N 3.2Å; Q100-S103 PolarHBondContact O-N 2.78Å; Q100-R104 VanDerWaalsContact O-CG 3.31Å; Q100-R104 WeakPolarHBondContact O-CG 3.35Å; Q100-R104 PolarHBondContact O-N 3.33Å
101L98.5Very high96.1Very high18 Ų1858.4 Ų58.49%0.09435%0.349CS..Hα-helixtrans-65.7-43178.3-71.1172.2000111.9S56 L59 E60 L63 T97 Y98 R104 A105S56-L101 WeakPolarHBondContact O-CD1 3.38Å; L59-L101 HydrophobicContact CB-CD1 4.33Å; L59-L101 HydrophobicContact CD2-CB 4Å; L59-L101 HydrophobicContact CD2-CD1 3.92Å; L59-L101 HydrophobicContact CG-CB 4.37Å; L59-L101 HydrophobicContact CG-CD1 4.27Å; E60-L101 HydrophobicContact CB-CD2 4Å; E60-L101 HydrophobicContact CG-CD2 4.18Å; L63-L101 HydrophobicContact CD1-CB 4.38Å; T97-L101 HydrophobicContact CG2-CD1 4.24Å; T97-L101 WeakPolarHBondContact O-CG 3.25Å; T97-L101 PolarHBondContact O-N 3.19Å; Y98-L101 PolarHBondContact O-N 3.11Å; L101-R104 PolarHBondContact O-N 2.8Å; L101-A105 PolarHBondContact O-N 2.73Å; L101-A105 VanDerWaalsContact O-N 3.09Å
102L98.2Very high96.2Very high3 Ų357.2 Ų57.22%0.01633%0.329CS..Hα-helixtrans-62.1-43175.1-70.3166.4000111.7L63 L68 A76 Y98 A105 G106 S107 L111 L143L63-L102 HydrophobicContact CD1-CD2 4.07Å; L63-L102 HydrophobicContact CD2-CD2 4.09Å; L68-L102 HydrophobicContact CD1-CD2 3.57Å; A76-L102 HydrophobicContact CB-CD1 3.58Å; A76-L102 HydrophobicContact CB-CD2 4.13Å; Y98-L102 WeakPolarHBondContact O-CB 3.46Å; Y98-L102 VanDerWaalsContact O-CG 3.25Å; Y98-L102 WeakPolarHBondContact O-CG 3.37Å; Y98-L102 PolarHBondContact O-N 3.33Å; L102-A105 CarbonylContact O-C 3.59Å; L102-A105 PolarHBondContact O-N 3.2Å; L102-A105 VanDerWaalsContact O-N 3.13Å; L102-G106 PolarHBondContact O-N 3.49Å; L102-S107 WeakPolarHBondContact O-CB 3.5Å; L102-S107 PolarHBondContact O-N 2.71Å; L102-L111 HydrophobicContact CD1-CD2 3.46Å; L102-L111 VanDerWaalsContact CD1-CD2 3.46Å; L102-L111 HydrophobicContact CD1-CG 4.45Å; L102-L143 HydrophobicContact CD2-CD2 4.14Å
103S97.2Very high96.3Very high55 Ų5561.9 Ų61.939%0.38535%0.348SS..Hα-helixtrans-61.5-44.5176.4-176.60000112.4A99 Q100 A105 G106 S107A99-S103 VanDerWaalsContact O-CB 3.29Å; A99-S103 WeakPolarHBondContact O-CB 3.42Å; A99-S103 PolarHBondContact O-N 3.47Å; Q100-S103 PolarHBondContact O-N 2.78Å; S103-A105 PolarHBondContact O-N 2.94Å; S103-G106 PolarHBondContact O-N 3.26Å; S103-S107 VanDerWaalsContact CA-O 3.25Å; S103-S107 WeakPolarHBondContact CA-O 3.29Å; S103-S107 PolarHBondContact N-O 3.13Å
104R96.6Very high96.3Very high189 Ų18958.9 Ų58.971%0.71333%0.327SS*.Hα-helixtrans-63.1-28.3174.7-71.4173.1-172.8175.85.7113Q100 L101 G106Q100-R104 VanDerWaalsContact O-CG 3.31Å; Q100-R104 WeakPolarHBondContact O-CG 3.35Å; Q100-R104 PolarHBondContact O-N 3.33Å; L101-R104 PolarHBondContact O-N 2.8Å; R104-G106 VanDerWaalsContact C-N 3.25Å; R104-G106 PolarHBondContact O-N 2.8Å
105A94.3Very high96.3Very high53 Ų5362.2 Ų62.244%0.43834%0.342SS..THydrogen-bonded Turntrans-83.75174.200000113.6L63 L101 L102 S103L63-A105 HydrophobicContact CB-CB 3.85Å; L63-A105 HydrophobicContact CD1-CB 3.85Å; L63-A105 HydrophobicContact CD2-CB 4.29Å; L63-A105 HydrophobicContact CG-CB 4.21Å; L101-A105 PolarHBondContact O-N 2.73Å; L101-A105 VanDerWaalsContact O-N 3.09Å; L102-A105 CarbonylContact O-C 3.59Å; L102-A105 PolarHBondContact O-N 3.2Å; L102-A105 VanDerWaalsContact O-N 3.13Å; S103-A105 PolarHBondContact O-N 2.94Å
106G90.4Very high96.3Very high58 Ų5866 Ų6660%0.59836%0.356SS*.THydrogen-bonded Turntrans93.21.8175.600000115.2L102 S103 R104L102-G106 PolarHBondContact O-N 3.49Å; S103-G106 PolarHBondContact O-N 3.26Å; R104-G106 VanDerWaalsContact C-N 3.25Å; R104-G106 PolarHBondContact O-N 2.8Å
107S92.5Very high96.3Very high17 Ų1767.2 Ų67.212%0.11936%0.356CS..  trans-86.7114.5173.9-173.70000110.9L102 S103 S109L102-S107 WeakPolarHBondContact O-CB 3.5Å; L102-S107 PolarHBondContact O-N 2.71Å; S103-S107 VanDerWaalsContact CA-O 3.25Å; S103-S107 WeakPolarHBondContact CA-O 3.29Å; S103-S107 PolarHBondContact N-O 3.13Å; S107-S109 VanDerWaalsContact C-N 3.31Å
108Q88.4Confident96.3Very high159 Ų15969.1 Ų69.174%0.74336%0.364SS*.  trans-891177.2-58.7-60.2-35.800113
109S90.8Very high96.3Very high48 Ų4869.1 Ų69.134%0.33636%0.364SS..PPolyproline II helixtrans-76.7143.1-177.3-60.20000111.7D73 S107D73-S109 WeakPolarHBondContact O-CB 3.25Å; D73-S109 PolarHBondContact O-OG 2.83Å; S107-S109 VanDerWaalsContact C-N 3.31Å
110S94.1Very high96.4Very high71 Ų7168.7 Ų68.750%0.49735%0.354SS..PPolyproline II helixtrans-69.3153.2166.746.90000111R74 E112R74-S110 WeakPolarHBondContact CD-O 3.41Å; R74-S110 WeakPolarHBondContact CG-O 3.46Å; R74-S110 PolarHBondContact NE-OG 2.79Å; S110-E112 PolarHBondContact O-N 2.77Å
111L98.1Very high96.4Very high22 Ų2267.9 Ų67.912%0.11535%0.35CS..PPolyproline II helixtrans-60.8131.3170.9-66.9170.8000110.1A76 V78 W95 L102 K113 L141A76-L111 HydrophobicContact CB-CD2 3.84Å; V78-L111 HydrophobicContact CG1-CD1 3.98Å; V78-L111 HydrophobicContact CG1-CD2 4.25Å; V78-L111 HydrophobicContact CG2-CB 4.24Å; V78-L111 HydrophobicContact CG2-CD1 4.48Å; W95-L111 HydrophobicContact CB-CD1 3.94Å; W95-L111 HydrophobicContact CG-CD1 4.31Å; L102-L111 HydrophobicContact CD1-CD2 3.46Å; L102-L111 VanDerWaalsContact CD1-CD2 3.46Å; L102-L111 HydrophobicContact CD1-CG 4.45Å; L111-K113 PolarHBondContact O-N 2.9Å; L111-L141 HydrophobicContact CD2-CD1 3.95Å
112E98.5Very high96.4Very high54 Ų5469 Ų6925%0.25235%0.353SS..EExtended strand (participates in β ladder)trans-70.5126.7167.7-172.8-172.7175.100109.1R74 A76 A77 V78 S110 M114 R122R74-E112 HydrophobicContact CB-CB 3.92Å; R74-E112 HydrophobicContact CG-CB 4.44Å; A76-E112 PolarHBondContact O-N 3.19Å; A77-E112 CarbonylContact C-O 3.54Å; A77-E112 VanDerWaalsContact CA-O 3.3Å; A77-E112 WeakPolarHBondContact CA-O 3.42Å; A77-E112 HydrophobicContact CB-CB 3.81Å; A77-E112 HydrophobicContact CB-CG 4.41Å; V78-E112 PolarHBondContact N-O 3.39Å; S110-E112 PolarHBondContact O-N 2.77Å; E112-M114 HydrophobicContact CG-CG 3.97Å; E112-R122 IonicContact OE1-NH1 2.65Å; E112-R122 IonicContact OE2-CZ 3.52Å; E112-R122 IonicContact OE2-NH1 3.64Å; E112-R122 PolarHBondContact OE2-NH1 3.41Å
113K98.3Very high96.4Very high117 Ų11768.9 Ų68.951%0.50935%0.352SS..EExtended strand (participates in β ladder)trans-96.4115.8173.5-64-175.9-177.1-177.40108.7V78 D80 W95 L111V78-K113 HydrophobicContact CG2-CG 4.29Å; D80-K113 HydrophobicContact CB-CB 3.96Å; W95-K113 HydrophobicContact CH2-CD 4.33Å; W95-K113 HydrophobicContact CZ3-CD 3.95Å; W95-K113 VanDerWaalsContact CZ3-CE 3.44Å; W95-K113 HydrophobicContact CZ3-CG 4.4Å; L111-K113 PolarHBondContact O-N 2.9Å
114M98.4Very high96.5Very high24 Ų2469.6 Ų69.612%0.11835%0.349CS..EExtended strand (participates in β ladder)trans-110.7136.1-176.2-64.6-171.271.900111.6A77 V78 M79 D80 E112 N118 F119 R122A77-M114 HydrophobicContact CB-CG 4.18Å; A77-M114 HydrophobicContact CB-SD 3.82Å; V78-M114 PolarHBondContact O-N 2.89Å; M79-M114 CarbonylContact C-O 3.52Å; D80-M114 WeakPolarHBondContact CB-O 3.28Å; D80-M114 PolarHBondContact N-O 2.97Å; E112-M114 HydrophobicContact CG-CG 3.97Å; M114-N118 HydrophobicContact CE-CB 4.13Å; M114-F119 HydrophobicContact CB-CB 4.31Å; M114-F119 HydrophobicContact CB-CD2 4.34Å; M114-R122 HydrophobicContact CE-CB 4.29Å; M114-R122 PolarHBondContact SD-NH1 2.82Å
115E98.5Very high96.6Very high83 Ų8368.7 Ų68.739%0.38835%0.35SS..  trans-52.9143.7168.9-171.4-72.7131.500110.6F117 N118 F119E115-F117 PolarHBondContact O-N 2.9Å; E115-F117 VanDerWaalsContact OE1-CD2 3.27Å; E115-F117 WeakPolarHBondContact OE1-CD2 3.32Å; E115-F117 PolarHBondContact OE1-N 3.33Å; E115-F117 WeakPolarHBondContact OE2-CA 3.32Å; E115-F117 WeakPolarHBondContact OE2-CB 3.47Å; E115-F117 PolarHBondContact OE2-N 3.12Å; E115-N118 HydrophobicContact CB-CB 4.45Å; E115-N118 WeakPolarHBondContact O-CB 3.21Å; E115-N118 PolarHBondContact O-N 3.22Å; E115-N118 VanDerWaalsContact O-N 3.14Å; E115-N118 PolarHBondContact OE2-N 3.49Å; E115-F119 PolarHBondContact O-N 3.44Å
116R98.1Very high96.8Very high104 Ų10466.6 Ų66.639%0.39233%0.333SS..Hα-helixtrans-50.7-48.9-171.9173.6176.1-178-163.8-1114.2M79 F119 Y120M79-R116 HydrophobicContact CE-CG 4.13Å; M79-R116 HydrophobicContact CG-CB 4.22Å; M79-R116 HydrophobicContact SD-CB 3.98Å; M79-R116 HydrophobicContact SD-CG 3.74Å; R116-F119 WeakPolarHBondContact O-CB 3.41Å; R116-F119 PolarHBondContact O-N 3.34Å; R116-Y120 HydrophobicContact CG-CD2 4.23Å; R116-Y120 HydrophobicContact CG-CE2 3.6Å; R116-Y120 PolarHBondContact NE-OH 3.42Å; R116-Y120 VanDerWaalsContact NE-OH 3.12Å; R116-Y120 PolarHBondContact NH2-OH 3.23Å; R116-Y120 WeakPolarHBondContact O-CD2 3.46Å; R116-Y120 PolarHBondContact O-N 3.25Å; R116-Y120 VanDerWaalsContact O-N 3.12Å
117F98.2Very high97.2Very high131 Ų13166.4 Ų66.458%0.57531%0.314SS*.Hα-helixtrans-73.1-36.8-179-63.2-70.8000111.8E115 F119 Y120 E121E115-F117 PolarHBondContact O-N 2.9Å; E115-F117 VanDerWaalsContact OE1-CD2 3.27Å; E115-F117 WeakPolarHBondContact OE1-CD2 3.32Å; E115-F117 PolarHBondContact OE1-N 3.33Å; E115-F117 WeakPolarHBondContact OE2-CA 3.32Å; E115-F117 WeakPolarHBondContact OE2-CB 3.47Å; E115-F117 PolarHBondContact OE2-N 3.12Å; F117-F119 VanDerWaalsContact C-N 3.27Å; F117-F119 PolarHBondContact O-N 3.48Å; F117-Y120 HydrophobicContact CD1-CD2 4.08Å; F117-Y120 HydrophobicContact CD1-CE2 4.49Å; F117-Y120 PolarHBondContact O-N 3.3Å; F117-Y120 VanDerWaalsContact O-N 3.16Å; F117-E121 WeakPolarHBondContact O-CG 3.24Å; F117-E121 PolarHBondContact O-N 2.68Å
118N98.7Very high97.5Very high95 Ų9565.6 Ų65.651%0.50831%0.308SS..Hα-helixtrans-60.9-37.2171.2-71.6-21.1000112.2M114 E115 E121 R122M114-N118 HydrophobicContact CE-CB 4.13Å; E115-N118 HydrophobicContact CB-CB 4.45Å; E115-N118 WeakPolarHBondContact O-CB 3.21Å; E115-N118 PolarHBondContact O-N 3.22Å; E115-N118 VanDerWaalsContact O-N 3.14Å; E115-N118 PolarHBondContact OE2-N 3.49Å; N118-E121 PolarHBondContact O-N 2.99Å; N118-R122 WeakPolarHBondContact O-CB 3.41Å; N118-R122 PolarHBondContact O-N 3.32Å
119F98.8Very high98Very high0 Ų058 Ų580%027%0.273CS..Hα-helixtrans-62.8-44.2173.6-169.9-80.2000111.3V29 F35 M79 M114 E115 R116 F117 R122 A123 N140 I142V29-F119 HydrophobicContact CG1-CE1 4.42Å; F35-F119 HydrophobicContact CD2-CE1 4.46Å; F35-F119 AromaticContact CE2-CD1 3.93Å; F35-F119 HydrophobicContact CE2-CD1 3.93Å; F35-F119 AromaticContact CE2-CE1 3.66Å; F35-F119 HydrophobicContact CE2-CE1 3.66Å; F35-F119 HydrophobicContact CZ-CE1 4.24Å; M79-F119 HydrophobicContact CB-CB 4.42Å; M79-F119 HydrophobicContact CB-CD2 3.97Å; M79-F119 HydrophobicContact CB-CE2 4.36Å; M79-F119 HydrophobicContact CB-CG 4.06Å; M79-F119 HydrophobicContact CE-CB 4.11Å; M79-F119 HydrophobicContact CE-CD1 3.67Å; M79-F119 HydrophobicContact CE-CE1 4.36Å; M79-F119 HydrophobicContact CE-CG 4Å; M79-F119 HydrophobicContact CG-CB 4.41Å; M114-F119 HydrophobicContact CB-CB 4.31Å; M114-F119 HydrophobicContact CB-CD2 4.34Å; E115-F119 PolarHBondContact O-N 3.44Å; R116-F119 WeakPolarHBondContact O-CB 3.41Å; R116-F119 PolarHBondContact O-N 3.34Å; F117-F119 VanDerWaalsContact C-N 3.27Å; F117-F119 PolarHBondContact O-N 3.48Å; F119-R122 PolarHBondContact O-N 3.24Å; F119-A123 WeakPolarHBondContact O-CB 3.43Å; F119-A123 PolarHBondContact O-N 3.12Å; F119-N140 HydrophobicContact CE1-CB 3.73Å; F119-N140 HydrophobicContact CE2-CB 4.4Å; F119-N140 HydrophobicContact CZ-CB 3.5Å; F119-N140 VanDerWaalsContact CZ-CB 3.5Å; F119-I142 HydrophobicContact CD1-CD1 4.38Å; F119-I142 HydrophobicContact CD2-CD1 3.95Å; F119-I142 HydrophobicContact CD2-CG1 4.48Å; F119-I142 HydrophobicContact CE1-CD1 4.1Å; F119-I142 HydrophobicContact CE1-CG1 4.21Å; F119-I142 HydrophobicContact CE2-CD1 3.64Å; F119-I142 HydrophobicContact CE2-CG1 3.68Å; F119-I142 HydrophobicContact CG-CD1 4.32Å; F119-I142 HydrophobicContact CZ-CD1 3.72Å; F119-I142 HydrophobicContact CZ-CG1 3.52Å
120Y98.7Very high98.4Very high35 Ų3555.7 Ų55.714%0.13726%0.257CS..Hα-helixtrans-63.1-42.7175.2-65.2-39.4000112.6F35 P36 I40 M79 R116 F117 R122 A123 K124F35-Y120 HydrophobicContact CD2-CE1 4.02Å; F35-Y120 AromaticContact CE2-CD1 3.69Å; F35-Y120 HydrophobicContact CE2-CD1 3.69Å; F35-Y120 AromaticContact CE2-CE1 3.55Å; F35-Y120 HydrophobicContact CE2-CE1 3.55Å; F35-Y120 HydrophobicContact CZ-CD1 4.03Å; F35-Y120 HydrophobicContact CZ-CE1 4.24Å; P36-Y120 HydrophobicContact CG-CD1 4.43Å; P36-Y120 HydrophobicContact CG-CE1 3.82Å; I40-Y120 HydrophobicContact CD1-CD1 4.08Å; I40-Y120 HydrophobicContact CD1-CG 4.32Å; M79-Y120 HydrophobicContact CE-CD1 4.23Å; M79-Y120 HydrophobicContact CE-CE1 3.66Å; R116-Y120 HydrophobicContact CG-CD2 4.23Å; R116-Y120 HydrophobicContact CG-CE2 3.6Å; R116-Y120 PolarHBondContact NE-OH 3.42Å; R116-Y120 VanDerWaalsContact NE-OH 3.12Å; R116-Y120 PolarHBondContact NH2-OH 3.23Å; R116-Y120 WeakPolarHBondContact O-CD2 3.46Å; R116-Y120 PolarHBondContact O-N 3.25Å; R116-Y120 VanDerWaalsContact O-N 3.12Å; F117-Y120 HydrophobicContact CD1-CD2 4.08Å; F117-Y120 HydrophobicContact CD1-CE2 4.49Å; F117-Y120 PolarHBondContact O-N 3.3Å; F117-Y120 VanDerWaalsContact O-N 3.16Å; Y120-R122 VanDerWaalsContact C-N 3.29Å; Y120-R122 PolarHBondContact O-N 3.15Å; Y120-A123 PolarHBondContact O-N 2.88Å; Y120-K124 WeakPolarHBondContact O-CG 3.45Å; Y120-K124 PolarHBondContact O-N 3Å
121E98.8Very high98.6Very high90 Ų9052.7 Ų52.742%0.42124%0.236SC..Hα-helixtrans-63.1-35.3177.4-72-52.9124.400112.6F117 N118 K124F117-E121 WeakPolarHBondContact O-CG 3.24Å; F117-E121 PolarHBondContact O-N 2.68Å; N118-E121 PolarHBondContact O-N 2.99Å; E121-K124 IonicContact OE1-NZ 2.84Å; E121-K124 PolarHBondContact OE1-NZ 2.9Å
122R98.8Very high98.7Very high42 Ų4252 Ų5216%0.15823%0.233CC..Hα-helixtrans-70.6-44.1172.6-169.9173.6-178.5174.11.3111.6E27 E112 M114 N118 F119 Y120 K124 K125 A126 I142E27-R122 VanDerWaalsContact CD-NE 3.34Å; E27-R122 IonicContact OE1-CZ 2.68Å; E27-R122 IonicContact OE1-NE 3.9Å; E27-R122 PolarHBondContact OE1-NE 3.43Å; E27-R122 IonicContact OE1-NH2 3.89Å; E27-R122 PolarHBondContact OE1-NH2 3.1Å; E27-R122 VanDerWaalsContact OE2-CG 3.22Å; E27-R122 WeakPolarHBondContact OE2-CG 3.39Å; E27-R122 IonicContact OE2-CZ 2.94Å; E27-R122 IonicContact OE2-NE 3.33Å; E27-R122 PolarHBondContact OE2-NE 3.2Å; E27-R122 IonicContact OE2-NH2 3.23Å; E112-R122 IonicContact OE1-NH1 2.65Å; E112-R122 IonicContact OE2-CZ 3.52Å; E112-R122 IonicContact OE2-NH1 3.64Å; E112-R122 PolarHBondContact OE2-NH1 3.41Å; M114-R122 HydrophobicContact CE-CB 4.29Å; M114-R122 PolarHBondContact SD-NH1 2.82Å; N118-R122 WeakPolarHBondContact O-CB 3.41Å; N118-R122 PolarHBondContact O-N 3.32Å; F119-R122 PolarHBondContact O-N 3.24Å; Y120-R122 VanDerWaalsContact C-N 3.29Å; Y120-R122 PolarHBondContact O-N 3.15Å; R122-K124 VanDerWaalsContact C-N 3.3Å; R122-K124 PolarHBondContact O-N 3.41Å; R122-K125 WeakPolarHBondContact O-CB 3.49Å; R122-K125 PolarHBondContact O-N 3.16Å; R122-A126 PolarHBondContact O-N 3.12Å; R122-I142 HydrophobicContact CB-CD1 4.11Å; R122-I142 HydrophobicContact CG-CD1 3.91Å
123A98.8Very high98.7Very high0 Ų051 Ų510%024%0.237CC..Hα-helixtrans-60.3-36.8179.200000112.9V29 F35 I40 F119 Y120 K125 A126V29-A123 HydrophobicContact CG2-CB 3.97Å; F35-A123 HydrophobicContact CZ-CB 3.86Å; I40-A123 HydrophobicContact CG2-CB 3.96Å; F119-A123 WeakPolarHBondContact O-CB 3.43Å; F119-A123 PolarHBondContact O-N 3.12Å; Y120-A123 PolarHBondContact O-N 2.88Å; A123-K125 PolarHBondContact O-N 2.87Å; A123-A126 VanDerWaalsContact O-CB 3.25Å; A123-A126 WeakPolarHBondContact O-CB 3.43Å; A123-A126 PolarHBondContact O-N 3.35Å; A123-A126 VanDerWaalsContact O-N 3.13Å
124K98.8Very high98.7Very high70 Ų7046.8 Ų46.830%0.30422%0.219SC..THydrogen-bonded Turntrans-61.7-20.8173.8-70.6171.4-174.1172.10113.8I40 C43 P45 Y120 E121 R122I40-K124 HydrophobicContact CD1-CG 3.92Å; I40-K124 HydrophobicContact CG2-CG 4.33Å; C43-K124 HydrophobicContact CB-CB 4.16Å; C43-K124 HydrophobicContact CB-CD 4.25Å; C43-K124 HydrophobicContact CB-CG 3.87Å; P45-K124 WeakPolarHBondContact CD-O 3.34Å; Y120-K124 WeakPolarHBondContact O-CG 3.45Å; Y120-K124 PolarHBondContact O-N 3Å; E121-K124 IonicContact OE1-NZ 2.84Å; E121-K124 PolarHBondContact OE1-NZ 2.9Å; R122-K124 VanDerWaalsContact C-N 3.3Å; R122-K124 PolarHBondContact O-N 3.41Å
125K98.7Very high98.7Very high170 Ų17051 Ų5174%0.73925%0.246SC*.THydrogen-bonded Turntrans-100.1-2.3179.4-60.1174.3-173.5174.60112.8R122 A123R122-K125 WeakPolarHBondContact O-CB 3.49Å; R122-K125 PolarHBondContact O-N 3.16Å; A123-K125 PolarHBondContact O-N 2.87Å
126A98.9Very high98.7Very high9 Ų948.4 Ų48.47%0.07424%0.239CC..SBendtrans-64.1161.6177.600000111.2E27 V29 P45 R122 A123E27-A126 HydrophobicContact CB-CB 4.39Å; E27-A126 WeakPolarHBondContact O-CB 3.37Å; V29-A126 HydrophobicContact CG2-CB 3.64Å; P45-A126 HydrophobicContact CB-CB 4.46Å; P45-A126 WeakPolarHBondContact CB-O 3.41Å; R122-A126 PolarHBondContact O-N 3.12Å; A123-A126 VanDerWaalsContact O-CB 3.25Å; A123-A126 WeakPolarHBondContact O-CB 3.43Å; A123-A126 PolarHBondContact O-N 3.35Å; A123-A126 VanDerWaalsContact O-N 3.13Å
127Y98.9Very high98.7Very high53 Ų5348.2 Ų48.221%0.20825%0.245CC..SBendtrans-71.6-42.6172.1-174.8-88.6000111A18 K21 M22 E27 K46A18-Y127 HydrophobicContact CB-CD1 4.47Å; A18-Y127 HydrophobicContact CB-CE1 4.16Å; K21-Y127 HydrophobicContact CB-CE1 4.37Å; K21-Y127 VanDerWaalsContact CB-OH 3.28Å; K21-Y127 WeakPolarHBondContact CB-OH 3.5Å; M22-Y127 HydrophobicContact CG-CD1 3.59Å; M22-Y127 HydrophobicContact CG-CD2 4.24Å; M22-Y127 HydrophobicContact CG-CE1 4.23Å; M22-Y127 HydrophobicContact CG-CG 3.62Å; M22-Y127 HydrophobicContact SD-CD1 4.45Å; E27-Y127 WeakPolarHBondContact O-CB 3.22Å; E27-Y127 PolarHBondContact O-N 3.35Å; K46-Y127 HydrophobicContact CD-CE1 4.37Å; K46-Y127 PolarHBondContact N-O 2.75Å; K46-Y127 VanDerWaalsContact N-O 3.16Å; K46-Y127 PolarHBondContact NZ-OH 3.06Å; K46-Y127 VanDerWaalsContact NZ-OH 3.11Å
128A98.9Very high98.7Very high0 Ų043.4 Ų43.40%022%0.224CC..EExtended strand (participates in β ladder)trans-150.8156.3179.800000112.1L28 V29 K46 I48L28-A128 HydrophobicContact CD1-CB 3.82Å; V29-A128 PolarHBondContact N-O 2.92Å; K46-A128 HydrophobicContact CB-CB 4.18Å; K46-A128 CarbonylContact O-C 3.5Å; K46-A128 VanDerWaalsContact O-CA 3.29Å; K46-A128 WeakPolarHBondContact O-CA 3.41Å; K46-A128 WeakPolarHBondContact O-CB 3.22Å; I48-A128 HydrophobicContact CD1-CB 4.01Å
129V98.9Very high98.7Very high0 Ų038.9 Ų38.90%020%0.199CC..EExtended strand (participates in β ladder)trans-117.9124.9169.4179.90000108.1V29 A31 F35 A37 I40 P45 K46 I48V29-V129 HydrophobicContact CB-CB 4.29Å; V29-V129 HydrophobicContact CB-CG1 4.18Å; V29-V129 HydrophobicContact CB-CG2 3.99Å; V29-V129 HydrophobicContact CG1-CG1 4.39Å; V29-V129 HydrophobicContact CG2-CG2 3.97Å; A31-V129 HydrophobicContact CB-CG1 3.74Å; F35-V129 HydrophobicContact CD1-CG1 4.38Å; F35-V129 HydrophobicContact CE1-CG1 4.22Å; A37-V129 HydrophobicContact CB-CG1 4.07Å; I40-V129 HydrophobicContact CG2-CG2 4.12Å; P45-V129 HydrophobicContact CB-CG2 4.01Å; P45-V129 HydrophobicContact CG-CG2 3.88Å; K46-V129 PolarHBondContact O-N 3.22Å; I48-V129 PolarHBondContact N-O 3.26Å
130V98.9Very high98.7Very high0 Ų039.1 Ų39.10%020%0.201CC..EExtended strand (participates in β ladder)trans-96.9104.2173.7-169.90000108.1L15 L28 V29 L30 A31 I48 A50 L58 T132L15-V130 HydrophobicContact CD1-CG2 3.72Å; L28-V130 HydrophobicContact CD1-CG2 3.82Å; L28-V130 HydrophobicContact CD2-CG2 4.46Å; L28-V130 HydrophobicContact CG-CG2 4.31Å; V29-V130 PolarHBondContact O-N 2.8Å; L30-V130 HydrophobicContact CD2-CB 3.82Å; L30-V130 HydrophobicContact CD2-CG1 4.44Å; L30-V130 HydrophobicContact CD2-CG2 3.84Å; A31-V130 WeakPolarHBondContact CB-O 3.48Å; A31-V130 PolarHBondContact N-O 2.93Å; I48-V130 HydrophobicContact CB-CG2 4.44Å; I48-V130 CarbonylContact O-C 3.49Å; I48-V130 VanDerWaalsContact O-CA 3.28Å; I48-V130 WeakPolarHBondContact O-CA 3.48Å; A50-V130 HydrophobicContact CB-CG1 3.61Å; L58-V130 HydrophobicContact CD1-CG1 4.25Å; V130-T132 HydrophobicContact CG1-CG2 4.2Å; V130-T132 WeakPolarHBondContact O-CG2 3.16Å; V130-T132 PolarHBondContact O-N 3.4Å
131A98.9Very high98.7Very high7 Ų737.5 Ų37.56%0.05819%0.194CC..EExtended strand (participates in β ladder)trans-76.1111.5174.600000109.6A37 I48 A50A37-A131 HydrophobicContact CB-CB 4.02Å; I48-A131 PolarHBondContact O-N 3.42Å; A50-A131 CarbonylContact C-O 3.52Å; A50-A131 PolarHBondContact N-O 3.3Å
132T98.9Very high98.7Very high7 Ų733.2 Ų33.24%0.04318%0.175CC..EExtended strand (participates in β ladder)trans-103.5176.3-174.6760000112.2A31 L53 I55 L58 V130 E134A31-T132 WeakPolarHBondContact O-CB 3.35Å; A31-T132 PolarHBondContact O-N 2.72Å; A31-T132 PolarHBondContact O-OG1 2.65Å; L53-T132 WeakPolarHBondContact O-CB 3.41Å; I55-T132 HydrophobicContact CG1-CG2 3.86Å; I55-T132 WeakPolarHBondContact CG1-OG1 3.3Å; L58-T132 HydrophobicContact CD1-CG2 3.63Å; V130-T132 HydrophobicContact CG1-CG2 4.2Å; V130-T132 WeakPolarHBondContact O-CG2 3.16Å; V130-T132 PolarHBondContact O-N 3.4Å; T132-E134 VanDerWaalsContact C-N 3.34Å; T132-E134 VanDerWaalsContact OG1-CB 3.3Å; T132-E134 WeakPolarHBondContact OG1-CB 3.49Å; T132-E134 PolarHBondContact OG1-N 3.31Å; T132-E134 VanDerWaalsContact OG1-N 3.15Å
133G98.6Very high98.7Very high33 Ų3331.2 Ų31.234%0.3417%0.167SC..  trans-90.613.3168.800000114.2L53 T135L53-G133 PolarHBondContact O-N 2.83Å; G133-T135 PolarHBondContact O-N 3.06Å
134E98.7Very high98.7Very high29 Ų2933 Ų3314%0.13618%0.175CC..  trans-65.1123.5-178.4179.759.6-106.700111.5D32 A33 I55 T132 A136D32-E134 HydrophobicContact CB-CB 4.24Å; D32-E134 HydrophobicContact CB-CG 4.23Å; A33-E134 VanDerWaalsContact CB-O 3.25Å; A33-E134 WeakPolarHBondContact CB-O 3.44Å; A33-E134 PolarHBondContact N-O 3.11Å; I55-E134 HydrophobicContact CB-CB 4.31Å; I55-E134 HydrophobicContact CB-CG 4.24Å; I55-E134 HydrophobicContact CD1-CB 3.87Å; I55-E134 HydrophobicContact CD1-CG 3.92Å; I55-E134 HydrophobicContact CG1-CB 3.69Å; I55-E134 HydrophobicContact CG1-CG 4Å; I55-E134 PolarHBondContact N-OE2 3.05Å; I55-E134 VanDerWaalsContact N-OE2 3.11Å; T132-E134 VanDerWaalsContact C-N 3.34Å; T132-E134 VanDerWaalsContact OG1-CB 3.3Å; T132-E134 WeakPolarHBondContact OG1-CB 3.49Å; T132-E134 PolarHBondContact OG1-N 3.31Å; T132-E134 VanDerWaalsContact OG1-N 3.15Å; E134-A136 HydrophobicContact CG-CB 4.22Å; E134-A136 VanDerWaalsContact OE1-CB 3.24Å; E134-A136 WeakPolarHBondContact OE1-CB 3.41Å; E134-A136 PolarHBondContact OE1-N 3.38Å
135T98.4Very high98.7Very high112 Ų11231.4 Ų31.469%0.68717%0.168SC*.  trans-101.2-8.8-177.956.10000113.2G133 L137G133-T135 PolarHBondContact O-N 3.06Å; T135-L137 PolarHBondContact O-N 2.85Å
136A98.2Very high98.7Very high29 Ų2923.5 Ų23.524%0.2413%0.134CC..SBendtrans-59.9131.4175.700000111.1V94 E134 G139V94-A136 HydrophobicContact CB-CB 3.98Å; V94-A136 HydrophobicContact CG1-CB 4.02Å; V94-A136 HydrophobicContact CG2-CB 4.18Å; E134-A136 HydrophobicContact CG-CB 4.22Å; E134-A136 VanDerWaalsContact OE1-CB 3.24Å; E134-A136 WeakPolarHBondContact OE1-CB 3.41Å; E134-A136 PolarHBondContact OE1-N 3.38Å; A136-G139 PolarHBondContact O-N 3.39Å
137L97.8Very high98.6Very high100 Ų10025.7 Ų25.752%0.52415%0.147SC..THydrogen-bonded Turntrans-63.9142.7173.9-60.9179.8000110L90 T135 G139L90-L137 HydrophobicContact CD2-CD1 4.35Å; T135-L137 PolarHBondContact O-N 2.85Å; L137-G139 PolarHBondContact O-N 3.4Å
138Y98.3Very high98.4Very high30 Ų3027.3 Ų27.312%0.11816%0.158CC..THydrogen-bonded Turntrans55.733.2-176.3-58.6-89.3000112.5M79 D80 L81 V82 D85 L90 V92 W95 N140M79-Y138 HydrophobicContact CB-CD1 4.43Å; M79-Y138 HydrophobicContact CG-CD1 4.26Å; M79-Y138 WeakPolarHBondContact O-CD1 3.39Å; M79-Y138 HydrophobicContact SD-CD1 4.46Å; D80-Y138 WeakPolarHBondContact O-CE1 3.2Å; L81-Y138 HydrophobicContact CG-CE2 4.37Å; V82-Y138 PolarHBondContact N-OH 3.14Å; D85-Y138 WeakPolarHBondContact OD2-CE2 3.39Å; D85-Y138 PolarHBondContact OD2-OH 3.47Å; L90-Y138 HydrophobicContact CD2-CD2 4.16Å; L90-Y138 HydrophobicContact CD2-CE2 3.75Å; V92-Y138 HydrophobicContact CG2-CD2 4.33Å; W95-Y138 PolarHBondContact NE1-O 3.01Å; Y138-N140 VanDerWaalsContact C-N 3.3Å; Y138-N140 PolarHBondContact O-N 3.27Å
139G98.5Very high98Very high0 Ų029.6 Ų29.60%017%0.173CC..  trans-76.5-15.7-178.900000113.7D32 I55 Y98 A136 L137 L141D32-G139 PolarHBondContact OD2-N 2.59Å; D32-G139 VanDerWaalsContact OD2-N 3.13Å; I55-G139 WeakPolarHBondContact CD1-O 3.32Å; Y98-G139 WeakPolarHBondContact CE2-O 3.48Å; Y98-G139 PolarHBondContact OH-O 2.73Å; A136-G139 PolarHBondContact O-N 3.39Å; L137-G139 PolarHBondContact O-N 3.4Å; G139-L141 PolarHBondContact O-N 3.48Å
140N98.9Very high97.6Very high6 Ų633.1 Ų33.13%0.03220%0.202CC..  trans-56.6134.6-178.6-53.8-61.2000113.1L30 A31 D32 F35 F119 Y138L30-N140 WeakPolarHBondContact O-CA 3.28Å; A31-N140 WeakPolarHBondContact CA-OD1 3.29Å; D32-N140 PolarHBondContact N-OD1 3.11Å; D32-N140 PolarHBondContact OD2-N 3.02Å; D32-N140 PolarHBondContact OD2-ND2 3.47Å; D32-N140 PolarHBondContact OD2-OD1 3.21Å; F35-N140 VanDerWaalsContact CB-OD1 3.28Å; F35-N140 WeakPolarHBondContact CB-OD1 3.38Å; F35-N140 HydrophobicContact CD2-CB 4.37Å; F35-N140 VanDerWaalsContact CD2-CG 3.49Å; F35-N140 VanDerWaalsContact CD2-OD1 3.32Å; F35-N140 WeakPolarHBondContact CD2-OD1 3.47Å; F35-N140 WeakPolarHBondContact CG-OD1 3.39Å; F119-N140 HydrophobicContact CE1-CB 3.73Å; F119-N140 HydrophobicContact CE2-CB 4.4Å; F119-N140 HydrophobicContact CZ-CB 3.5Å; F119-N140 VanDerWaalsContact CZ-CB 3.5Å; Y138-N140 VanDerWaalsContact C-N 3.3Å; Y138-N140 PolarHBondContact O-N 3.27Å
141L98.9Very high97.3Very high0 Ų040.7 Ų40.70%024%0.238CC..EExtended strand (participates in β ladder)trans-136130.3-179.7-179.665.8000110.4V29 L30 L59 A76 A77 V78 Y98 L111 G139 L143V29-L141 CarbonylContact C-O 3.56Å; V29-L141 WeakPolarHBondContact CA-O 3.28Å; L30-L141 HydrophobicContact CB-CB 4.44Å; L30-L141 HydrophobicContact CD1-CD2 4.49Å; L30-L141 PolarHBondContact N-O 3.39Å; L30-L141 PolarHBondContact O-N 2.84Å; L59-L141 HydrophobicContact CD1-CD2 3.72Å; L59-L141 HydrophobicContact CD2-CD2 3.66Å; L59-L141 HydrophobicContact CG-CD2 4.25Å; A76-L141 HydrophobicContact CB-CD1 4.23Å; A77-L141 CarbonylContact O-C 3.57Å; A77-L141 WeakPolarHBondContact O-CA 3.33Å; V78-L141 HydrophobicContact CG1-CD1 3.83Å; Y98-L141 HydrophobicContact CD2-CB 4.43Å; Y98-L141 HydrophobicContact CD2-CD1 4.31Å; Y98-L141 HydrophobicContact CD2-CD2 4.16Å; Y98-L141 HydrophobicContact CE2-CB 4.21Å; Y98-L141 HydrophobicContact CG-CD2 4.22Å; L111-L141 HydrophobicContact CD2-CD1 3.95Å; G139-L141 PolarHBondContact O-N 3.48Å; L141-L143 HydrophobicContact CD1-CD2 4.5Å; L141-L143 HydrophobicContact CD2-CD2 3.97Å; L141-L143 HydrophobicContact CD2-CG 4.41Å; L141-L143 HydrophobicContact CG-CD2 4.08Å; L141-L143 HydrophobicContact CG-CG 4.39Å
142I98.9Very high96.7Very high1 Ų146.4 Ų46.41%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-101.7134.3168.9-61.8175.2000108E27 L28 V29 A76 A77 F119 R122E27-I142 HydrophobicContact CB-CG2 3.95Å; E27-I142 HydrophobicContact CG-CG2 4.29Å; L28-I142 CarbonylContact O-C 3.57Å; L28-I142 WeakPolarHBondContact O-CA 3.47Å; V29-I142 HydrophobicContact CG1-CG1 4.4Å; V29-I142 HydrophobicContact CG2-CG1 4.18Å; A76-I142 CarbonylContact C-O 3.6Å; A76-I142 VanDerWaalsContact CA-O 3.24Å; A76-I142 WeakPolarHBondContact CA-O 3.44Å; A77-I142 HydrophobicContact CB-CB 4.33Å; A77-I142 PolarHBondContact N-O 3.4Å; A77-I142 PolarHBondContact O-N 3.41Å; F119-I142 HydrophobicContact CD1-CD1 4.38Å; F119-I142 HydrophobicContact CD2-CD1 3.95Å; F119-I142 HydrophobicContact CD2-CG1 4.48Å; F119-I142 HydrophobicContact CE1-CD1 4.1Å; F119-I142 HydrophobicContact CE1-CG1 4.21Å; F119-I142 HydrophobicContact CE2-CD1 3.64Å; F119-I142 HydrophobicContact CE2-CG1 3.68Å; F119-I142 HydrophobicContact CG-CD1 4.32Å; F119-I142 HydrophobicContact CZ-CD1 3.72Å; F119-I142 HydrophobicContact CZ-CG1 3.52Å; R122-I142 HydrophobicContact CB-CD1 4.11Å; R122-I142 HydrophobicContact CG-CD1 3.91Å
143L98.9Very high95.9Very high0 Ų051.5 Ų51.50%029%0.291CS..EExtended strand (participates in β ladder)trans-118134.3172.8-60.4175.1000109.9E27 L28 L30 L59 I62 L66 L68 P75 A76 L102 L141E27-L143 CarbonylContact C-O 3.57Å; E27-L143 VanDerWaalsContact CA-O 3.22Å; E27-L143 WeakPolarHBondContact CA-O 3.49Å; L28-L143 PolarHBondContact N-O 2.97Å; L28-L143 PolarHBondContact O-N 3.26Å; L30-L143 HydrophobicContact CD1-CD1 4.36Å; L59-L143 HydrophobicContact CD1-CD1 3.69Å; L59-L143 HydrophobicContact CD1-CD2 3.98Å; L59-L143 HydrophobicContact CD1-CG 4.37Å; I62-L143 HydrophobicContact CG2-CD1 4.13Å; L66-L143 HydrophobicContact CD2-CB 4.19Å; L66-L143 HydrophobicContact CD2-CD1 4.22Å; L68-L143 HydrophobicContact CD2-CB 4.45Å; L68-L143 HydrophobicContact CD2-CD2 4.22Å; P75-L143 CarbonylContact O-C 3.59Å; A76-L143 HydrophobicContact CB-CD2 4.08Å; L102-L143 HydrophobicContact CD2-CD2 4.14Å; L141-L143 HydrophobicContact CD1-CD2 4.5Å; L141-L143 HydrophobicContact CD2-CD2 3.97Å; L141-L143 HydrophobicContact CD2-CG 4.41Å; L141-L143 HydrophobicContact CG-CD2 4.08Å; L141-L143 HydrophobicContact CG-CG 4.39Å
144K98.8Very high94.5Very high38 Ų3862.6 Ų62.617%0.16533%0.334CS..EExtended strand (participates in β ladder)trans-104125.8175.7-166.5176.4-163.564.70111.3G25 E27 D69 V72 P75G25-K144 PolarHBondContact O-NZ 2.92Å; E27-K144 HydrophobicContact CG-CB 4.13Å; E27-K144 HydrophobicContact CG-CG 3.97Å; E27-K144 IonicContact OE1-NZ 2.75Å; E27-K144 PolarHBondContact OE1-NZ 2.99Å; D69-K144 HydrophobicContact CB-CB 4.17Å; D69-K144 HydrophobicContact CB-CD 4.09Å; D69-K144 HydrophobicContact CB-CG 3.93Å; D69-K144 PolarHBondContact N-O 3.16Å; D69-K144 WeakPolarHBondContact OD2-CD 3.46Å; D69-K144 WeakPolarHBondContact OD2-CE 3.27Å; V72-K144 HydrophobicContact CG1-CD 4.15Å; V72-K144 HydrophobicContact CG2-CD 4.13Å; P75-K144 HydrophobicContact CB-CB 4.42Å; P75-K144 PolarHBondContact O-N 3.28Å
145K98.8Very high94.3Very high35 Ų3564.3 Ų64.315%0.15234%0.344CS..BIsolated β-bridgetrans-75.2128.5-178.4-173.6171-177.7177.50111.6L19 M22 G23 H24 G25 D26 L66 P67L19-K145 PolarHBondContact O-NZ 3.02Å; M22-K145 HydrophobicContact CB-CD 3.6Å; M22-K145 HydrophobicContact CE-CB 4.12Å; M22-K145 WeakPolarHBondContact O-CD 3.38Å; M22-K145 WeakPolarHBondContact O-CE 3.24Å; M22-K145 PolarHBondContact O-NZ 3.15Å; G23-K145 WeakPolarHBondContact O-CD 3.23Å; H24-K145 PolarHBondContact ND1-O 3.33Å; G25-K145 PolarHBondContact N-O 3.18Å; D26-K145 PolarHBondContact O-N 3.47Å; L66-K145 HydrophobicContact CD1-CB 3.93Å; L66-K145 HydrophobicContact CD1-CD 3.62Å; L66-K145 HydrophobicContact CD1-CG 3.62Å; P67-K145 HydrophobicContact CG-CG 4.35Å; P67-K145 WeakPolarHBondContact O-CA 3.4Å
146G97.8Very high94.1Very high4 Ų461.8 Ų61.84%0.04133%0.326CS..  trans-93.3-152.5174.700000113.7P67 D69P67-G146 PolarHBondContact O-N 2.97Å; D69-G146 VanDerWaalsContact CA-CA 3.4Å
147V96.8Very high93.9Very high55 Ų5563.6 Ų63.633%0.33333%0.331SS..  trans-119.1151.9-179.2-60.50000111H24 Y71H24-V147 HydrophobicContact CB-CG1 3.91Å; Y71-V147 HydrophobicContact CE2-CG1 4.39Å; Y71-V147 HydrophobicContact CE2-CG2 3.8Å
148I95.3Very high93.6Very high88 Ų8861.5 Ų61.545%0.45132%0.319SS..  trans-109.9112.3163.4-64.5169.6000106.2P67 M152 L153P67-I148 HydrophobicContact CB-CD1 4.44Å; P67-I148 HydrophobicContact CB-CG1 3.88Å; P67-I148 HydrophobicContact CG-CD1 4.17Å; P67-I148 HydrophobicContact CG-CG1 3.89Å; I148-M152 HydrophobicContact CG2-CB 3.99Å; I148-M152 HydrophobicContact CG2-CE 4.43Å; I148-L153 HydrophobicContact CB-CD2 4.49Å; I148-L153 HydrophobicContact CG2-CD2 3.79Å; I148-L153 HydrophobicContact CG2-CG 4.45Å
149P91.3Very high93.3Very high47 Ų4763.4 Ų63.431%0.30533%0.332SS..  trans-50.9144170.8-27.828.7000113E151 M152P149-E151 HydrophobicContact CB-CG 4.01Å; P149-E151 VanDerWaalsContact CB-OE1 3.27Å; P149-E151 WeakPolarHBondContact CB-OE1 3.49Å; P149-E151 WeakPolarHBondContact CB-OE2 3.05Å; P149-E151 PolarHBondContact O-N 3.23Å; P149-M152 HydrophobicContact CB-CE 4.29Å; P149-M152 HydrophobicContact CG-CE 3.77Å; P149-M152 PolarHBondContact O-N 3.29Å
150A90.4Very high93Very high74 Ų7467.7 Ų67.761%0.61235%0.354SS*.G310 helixtrans-60.5-32-173.900000112.4M152 L153A150-M152 PolarHBondContact O-N 3.35Å; A150-L153 WeakPolarHBondContact O-CB 3.26Å; A150-L153 PolarHBondContact O-N 2.71Å; A150-L153 VanDerWaalsContact O-N 3.1Å
151E91.6Very high92.6Very high160 Ų16072.1 Ų72.175%0.74838%0.377SS*.G310 helixtrans-65.4-16.8176.560.7-92.2-147.400114.4P149P149-E151 HydrophobicContact CB-CG 4.01Å; P149-E151 VanDerWaalsContact CB-OE1 3.27Å; P149-E151 WeakPolarHBondContact CB-OE1 3.49Å; P149-E151 WeakPolarHBondContact CB-OE2 3.05Å; P149-E151 PolarHBondContact O-N 3.23Å
152M87.5Confident92.1Very high126 Ų12677.6 Ų77.662%0.62141%0.406SS*.G310 helixtrans-97.3-2.7174.9-67.4-161.2-70.400113I148 P149 A150I148-M152 HydrophobicContact CG2-CB 3.99Å; I148-M152 HydrophobicContact CG2-CE 4.43Å; P149-M152 HydrophobicContact CB-CE 4.29Å; P149-M152 HydrophobicContact CG-CE 3.77Å; P149-M152 PolarHBondContact O-N 3.29Å; A150-M152 PolarHBondContact O-N 3.35Å
153L81.6Confident91.5Very high114 Ų11484 Ų8460%0.59744%0.439SS*.  trans-77.8125.8172.9-57.9176.1000108.5I148 A150I148-L153 HydrophobicContact CB-CD2 4.49Å; I148-L153 HydrophobicContact CG2-CD2 3.79Å; I148-L153 HydrophobicContact CG2-CG 4.45Å; A150-L153 WeakPolarHBondContact O-CB 3.26Å; A150-L153 PolarHBondContact O-N 2.71Å; A150-L153 VanDerWaalsContact O-N 3.1Å
154Q69.7Low90.9Very high267 Ų26791.6 Ų91.6100%1.24848%0.479SS*.  trans-77.10173.9-67.4-178.5-0.700111.5

Retrieved 154 of 154 residues in 110.1 ms (Link to these results)

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