A0A060YLC7_ONCMY Loading...

Fucose mutarotase

AlphaFold DB , UniProt , Accession A0A060YLC7, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), 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
1M88.2Confident96.5Very high141 Ų14181 Ų8170%0.69545%0.451SS*.  0155.50-68.7-177.6118.800109.1S9 I10 L11M1-S9 VanDerWaalsContact CA-O 3.25Å; M1-S9 WeakPolarHBondContact CA-O 3.43Å; M1-S9 WeakPolarHBondContact CB-O 3.14Å; M1-S9 WeakPolarHBondContact CG-O 3.25Å; M1-I10 HydrophobicContact CE-CB 4.06Å; M1-I10 HydrophobicContact CE-CG2 3.73Å; M1-L11 CarbonylContact C-O 3.39Å; M1-L11 VanDerWaalsContact CA-O 3.23Å; M1-L11 WeakPolarHBondContact CA-O 3.13Å
2V92.3Very high96.7Very high31 Ų3175.9 Ų75.919%0.18843%0.425CS..  trans-140.2157.8179.8750000109.7L4 I7 S9 L11V2-L4 HydrophobicContact CG2-CD1 3.92Å; V2-L4 HydrophobicContact CG2-CG 3.9Å; V2-I7 HydrophobicContact CG1-CG2 3.96Å; V2-S9 PolarHBondContact N-O 2.91Å; V2-S9 VanDerWaalsContact N-O 3.12Å; V2-S9 WeakPolarHBondContact O-CA 3.18Å; V2-S9 VanDerWaalsContact O-CB 3.3Å; V2-S9 WeakPolarHBondContact O-CB 3.23Å; V2-L11 PolarHBondContact N-O 3.31Å
3I96.9Very high96.8Very high161 Ų16175.2 Ų75.283%0.82643%0.425SS*.  trans-125.8101.9171.8-57.6178.7000108.1
4L97.9Very high96.9Very high98 Ų9878.1 Ų78.151%0.51343%0.433SS..BIsolated β-bridgetrans-136.3149.8176.6-63.2171.2000108.8V2 G6 I7 L16V2-L4 HydrophobicContact CG2-CD1 3.92Å; V2-L4 HydrophobicContact CG2-CG 3.9Å; L4-G6 PolarHBondContact O-N 2.72Å; L4-I7 HydrophobicContact CB-CB 4.02Å; L4-I7 HydrophobicContact CB-CG1 3.87Å; L4-I7 HydrophobicContact CD1-CG1 4.44Å; L4-I7 PolarHBondContact O-N 3.27Å; L4-L16 HydrophobicContact CD1-CD2 4.47Å
5K97.8Very high97Very high213 Ų21373 Ų7393%0.92641%0.405SS*.THydrogen-bonded Turntrans-62128.7178-64.2179.4-178.4177.60109.6I7K5-I7 PolarHBondContact O-N 3.33Å
6G96.6Very high97.2Very high77 Ų7771.1 Ų71.179%0.79439%0.394SS*.THydrogen-bonded Turntrans78.2-5178.900000115.7L4L4-G6 PolarHBondContact O-N 2.72Å
7I98.4Very high97.2Very high43 Ų4375.4 Ų75.422%0.22140%0.404CS..BIsolated β-bridgetrans-104128-179.1-55.1-58.4000110V2 L4 K5 S9 L11 L16 L65V2-I7 HydrophobicContact CG1-CG2 3.96Å; L4-I7 HydrophobicContact CB-CB 4.02Å; L4-I7 HydrophobicContact CB-CG1 3.87Å; L4-I7 HydrophobicContact CD1-CG1 4.44Å; L4-I7 PolarHBondContact O-N 3.27Å; K5-I7 PolarHBondContact O-N 3.33Å; I7-S9 PolarHBondContact O-N 3.47Å; I7-L11 HydrophobicContact CG2-CD1 4.37Å; I7-L16 HydrophobicContact CG2-CD1 4.48Å; I7-L16 HydrophobicContact CG2-CD2 4.34Å; I7-L65 HydrophobicContact CD1-CD1 3.99Å; I7-L65 HydrophobicContact CD1-CD2 3.78Å; I7-L65 HydrophobicContact CG2-CD1 4.35Å
8P98.4Very high97.3Very high20 Ų2071.2 Ų71.213%0.1338%0.382CS..  trans-59.3127174.9-25.536.3000111.8I10 L11 A61 K64P8-I10 PolarHBondContact O-N 3.12Å; P8-L11 HydrophobicContact CB-CD1 4.36Å; P8-L11 HydrophobicContact CB-CG 4.29Å; P8-L11 HydrophobicContact CG-CD1 4.36Å; P8-L11 PolarHBondContact O-N 3.38Å; P8-L11 VanDerWaalsContact O-N 3.17Å; P8-A61 HydrophobicContact CB-CB 3.67Å; P8-A61 HydrophobicContact CG-CB 4.09Å; P8-K64 HydrophobicContact CG-CB 4.23Å; P8-K64 HydrophobicContact CG-CD 3.7Å
9S98.1Very high97.4Very high63 Ų6367.9 Ų67.944%0.44136%0.364SS..THydrogen-bonded Turntrans-67.9-20.8-170.856.10000114.6M1 V2 I7 L11M1-S9 VanDerWaalsContact CA-O 3.25Å; M1-S9 WeakPolarHBondContact CA-O 3.43Å; M1-S9 WeakPolarHBondContact CB-O 3.14Å; M1-S9 WeakPolarHBondContact CG-O 3.25Å; V2-S9 PolarHBondContact N-O 2.91Å; V2-S9 VanDerWaalsContact N-O 3.12Å; V2-S9 WeakPolarHBondContact O-CA 3.18Å; V2-S9 VanDerWaalsContact O-CB 3.3Å; V2-S9 WeakPolarHBondContact O-CB 3.23Å; I7-S9 PolarHBondContact O-N 3.47Å; S9-L11 PolarHBondContact O-N 3.23Å
10I98.1Very high97.5Very high44 Ų4468.5 Ų68.523%0.22638%0.379CS..THydrogen-bonded Turntrans-70.1-19.8178.173.5171.6000113M1 P8 S12 L53 E57 L58 A61M1-I10 HydrophobicContact CE-CB 4.06Å; M1-I10 HydrophobicContact CE-CG2 3.73Å; P8-I10 PolarHBondContact O-N 3.12Å; I10-S12 PolarHBondContact O-N 3.33Å; I10-L53 HydrophobicContact CB-CD1 4.14Å; I10-E57 HydrophobicContact CD1-CB 4.45Å; I10-E57 WeakPolarHBondContact CD1-O 3.3Å; I10-L58 HydrophobicContact CD1-CD1 4.27Å; I10-L58 HydrophobicContact CG1-CD1 4.4Å; I10-A61 HydrophobicContact CD1-CB 3.57Å; I10-A61 HydrophobicContact CG1-CB 3.59Å
11L98.6Very high97.5Very high0 Ų071.1 Ų71.10%039%0.386CS..SBendtrans-68.5130.5176.3-58.9179.2000109.8M1 V2 I7 P8 S9 L15 L19 L58 A61 I62 L65M1-L11 CarbonylContact C-O 3.39Å; M1-L11 VanDerWaalsContact CA-O 3.23Å; M1-L11 WeakPolarHBondContact CA-O 3.13Å; V2-L11 PolarHBondContact N-O 3.31Å; I7-L11 HydrophobicContact CG2-CD1 4.37Å; P8-L11 HydrophobicContact CB-CD1 4.36Å; P8-L11 HydrophobicContact CB-CG 4.29Å; P8-L11 HydrophobicContact CG-CD1 4.36Å; P8-L11 PolarHBondContact O-N 3.38Å; P8-L11 VanDerWaalsContact O-N 3.17Å; S9-L11 PolarHBondContact O-N 3.23Å; L11-L15 HydrophobicContact CD2-CD2 3.64Å; L11-L15 HydrophobicContact CD2-CG 4.31Å; L11-L19 HydrophobicContact CD1-CD1 4.45Å; L11-L58 HydrophobicContact CD2-CD1 3.97Å; L11-A61 HydrophobicContact CD2-CB 3.88Å; L11-A61 HydrophobicContact CG-CB 4.2Å; L11-I62 HydrophobicContact CD2-CG1 4.04Å; L11-L65 HydrophobicContact CD1-CD1 3.5Å; L11-L65 VanDerWaalsContact CD1-CD1 3.5Å; L11-L65 HydrophobicContact CD1-CG 4.5Å
12S98.6Very high98Very high20 Ų2064.7 Ų64.714%0.1436%0.355CS..  trans-76.8155.6171.890.30000110.5I10 E14 L15 L16I10-S12 PolarHBondContact O-N 3.33Å; S12-E14 WeakPolarHBondContact CB-OE2 3.45Å; S12-E14 PolarHBondContact O-N 3.39Å; S12-E14 PolarHBondContact OG-N 2.96Å; S12-E14 PolarHBondContact OG-OE2 2.97Å; S12-L15 PolarHBondContact O-N 3.01Å; S12-L15 PolarHBondContact OG-N 3.26Å; S12-L15 VanDerWaalsContact OG-N 3.08Å; S12-L16 WeakPolarHBondContact O-CB 3.4Å; S12-L16 PolarHBondContact O-N 2.93Å
13P98.6Very high98.3Very high66 Ų6664.8 Ų64.843%0.42936%0.362SS..Hα-helixtrans-52.8-38.3172.1-26.935.9000113L16 Y17P13-L16 PolarHBondContact O-N 3.31Å; P13-Y17 WeakPolarHBondContact O-CB 3.3Å; P13-Y17 PolarHBondContact O-N 3.19Å
14E98.6Very high98.4Very high116 Ų11662 Ų6254%0.54235%0.345SS..Hα-helixtrans-68.4-43.1179.5-55.574.5-162.200111.8S12 Y17 A18S12-E14 WeakPolarHBondContact CB-OE2 3.45Å; S12-E14 PolarHBondContact O-N 3.39Å; S12-E14 PolarHBondContact OG-N 2.96Å; S12-E14 PolarHBondContact OG-OE2 2.97Å; E14-Y17 PolarHBondContact O-N 3.2Å; E14-A18 PolarHBondContact O-N 3.34Å
15L98.8Very high98.4Very high2 Ų258.4 Ų58.41%0.0133%0.332CS..Hα-helixtrans-65.3-43.3175.1-179.855.2000111L11 S12 Y17 A18 L19 L28 I48 L58 I62 V130L11-L15 HydrophobicContact CD2-CD2 3.64Å; L11-L15 HydrophobicContact CD2-CG 4.31Å; S12-L15 PolarHBondContact O-N 3.01Å; S12-L15 PolarHBondContact OG-N 3.26Å; S12-L15 VanDerWaalsContact OG-N 3.08Å; L15-Y17 VanDerWaalsContact C-N 3.31Å; L15-Y17 PolarHBondContact O-N 3.08Å; L15-A18 PolarHBondContact O-N 3.43Å; L15-L19 HydrophobicContact CD1-CG 4.28Å; L15-L19 HydrophobicContact CG-CD1 4.36Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.36Å; L15-L19 PolarHBondContact O-N 3.43Å; L15-L28 HydrophobicContact CD1-CD2 4.36Å; L15-I48 HydrophobicContact CB-CG2 4.34Å; L15-I48 HydrophobicContact CD1-CD1 4.34Å; L15-L58 HydrophobicContact CD2-CD1 3.78Å; L15-L58 HydrophobicContact CD2-CD2 4.19Å; L15-L58 HydrophobicContact CD2-CG 4.22Å; L15-I62 HydrophobicContact CD2-CD1 4.3Å; L15-I62 HydrophobicContact CD2-CG1 4.38Å; L15-V130 HydrophobicContact CD1-CG2 3.77Å
16L98.8Very high98.5Very high42 Ų4251 Ų5122%0.2230%0.302CS..Hα-helixtrans-61.2-41.8176.5-174.162.5000111.5L4 I7 S12 P13 L19 A20 L65L4-L16 HydrophobicContact CD1-CD2 4.47Å; I7-L16 HydrophobicContact CG2-CD1 4.48Å; I7-L16 HydrophobicContact CG2-CD2 4.34Å; S12-L16 WeakPolarHBondContact O-CB 3.4Å; S12-L16 PolarHBondContact O-N 2.93Å; P13-L16 PolarHBondContact O-N 3.31Å; L16-L19 PolarHBondContact O-N 2.94Å; L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 3.42Å; L16-L65 HydrophobicContact CD1-CD1 3.78Å
17Y98.7Very high98.6Very high144 Ų14448.4 Ų48.457%0.56527%0.27SS*.Hα-helixtrans-60.1-44.9174176.9-104.2000112P13 E14 L15 A20 K21P13-Y17 WeakPolarHBondContact O-CB 3.3Å; P13-Y17 PolarHBondContact O-N 3.19Å; E14-Y17 PolarHBondContact O-N 3.2Å; L15-Y17 VanDerWaalsContact C-N 3.31Å; L15-Y17 PolarHBondContact O-N 3.08Å; Y17-A20 PolarHBondContact O-N 3.23Å; Y17-K21 WeakPolarHBondContact O-CB 3.49Å; Y17-K21 PolarHBondContact O-N 3.01Å
18A98.8Very high98.6Very high1 Ų146.4 Ų46.41%0.00826%0.259CS..Hα-helixtrans-60.8-49.7176.600000111.8E14 L15 A20 K21 M22 I48 F127 A128E14-A18 PolarHBondContact O-N 3.34Å; L15-A18 PolarHBondContact O-N 3.43Å; A18-A20 VanDerWaalsContact C-N 3.26Å; A18-A20 PolarHBondContact O-N 3.17Å; A18-K21 PolarHBondContact O-N 3.17Å; A18-K21 VanDerWaalsContact O-N 3.11Å; A18-M22 VanDerWaalsContact O-CG 3.27Å; A18-M22 WeakPolarHBondContact O-CG 3.39Å; A18-M22 PolarHBondContact O-N 3.02Å; A18-I48 HydrophobicContact CB-CD1 3.67Å; A18-F127 HydrophobicContact CB-CD1 4.45Å; A18-F127 HydrophobicContact CB-CE1 3.98Å; A18-A128 HydrophobicContact CB-CB 4.48Å
19L98.8Very high98.6Very high9 Ų945.4 Ų45.45%0.04725%0.253CS..Hα-helixtrans-57-39.5177.7-65.5174.8000112.3L11 L15 L16 M22 L28 I62 L66 K145L11-L19 HydrophobicContact CD1-CD1 4.45Å; L15-L19 HydrophobicContact CD1-CG 4.28Å; L15-L19 HydrophobicContact CG-CD1 4.36Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.36Å; L15-L19 PolarHBondContact O-N 3.43Å; L16-L19 PolarHBondContact O-N 2.94Å; L19-M22 HydrophobicContact CD2-SD 4.37Å; L19-L28 HydrophobicContact CD2-CD2 3.81Å; L19-I62 HydrophobicContact CD1-CG1 4.31Å; L19-I62 HydrophobicContact CD2-CG2 3.97Å; L19-L66 HydrophobicContact CD2-CB 4.42Å; L19-L66 HydrophobicContact CD2-CD1 4.07Å; L19-L66 HydrophobicContact CD2-CD2 4.24Å; L19-L66 HydrophobicContact CD2-CG 4.48Å; L19-K145 PolarHBondContact O-NZ 3.39Å
20A98.6Very high98.7Very high79 Ų7942.4 Ų42.465%0.65323%0.232SC*.Hα-helixtrans-69.8-37.3178.100000112.7L16 Y17 A18L16-A20 WeakPolarHBondContact O-CB 3.39Å; L16-A20 PolarHBondContact O-N 3.42Å; Y17-A20 PolarHBondContact O-N 3.23Å; A18-A20 VanDerWaalsContact C-N 3.26Å; A18-A20 PolarHBondContact O-N 3.17Å
21K98.6Very high98.7Very high124 Ų12440.3 Ų40.354%0.53922%0.221SC..Hα-helixtrans-80.2-23.6-178-152.4-145-168.6-177.50113.5Y17 A18 F127Y17-K21 WeakPolarHBondContact O-CB 3.49Å; Y17-K21 PolarHBondContact O-N 3.01Å; A18-K21 PolarHBondContact O-N 3.17Å; A18-K21 VanDerWaalsContact O-N 3.11Å; K21-F127 HydrophobicContact CB-CZ 3.92Å; K21-F127 HydrophobicContact CD-CE2 3.91Å; K21-F127 HydrophobicContact CD-CZ 3.49Å; K21-F127 VanDerWaalsContact CD-CZ 3.49Å; K21-F127 HydrophobicContact CG-CZ 4.26Å
22M98.8Very high98.7Very high6 Ų640.9 Ų40.93%0.0322%0.224CC..  trans-59136.6176-75168.974.700111.4A18 L19 D26 L28 F127 K145A18-M22 VanDerWaalsContact O-CG 3.27Å; A18-M22 WeakPolarHBondContact O-CG 3.39Å; A18-M22 PolarHBondContact O-N 3.02Å; L19-M22 HydrophobicContact CD2-SD 4.37Å; M22-D26 WeakPolarHBondContact CA-OD2 3.46Å; M22-D26 HydrophobicContact CB-CB 4Å; M22-D26 HydrophobicContact CE-CB 3.95Å; M22-D26 HydrophobicContact CG-CB 4.09Å; M22-L28 HydrophobicContact CE-CB 3.87Å; M22-L28 HydrophobicContact SD-CB 4.2Å; M22-F127 HydrophobicContact CG-CB 3.96Å; M22-F127 HydrophobicContact CG-CD1 3.48Å; M22-F127 VanDerWaalsContact CG-CD1 3.48Å; M22-F127 HydrophobicContact CG-CD2 4.17Å; M22-F127 HydrophobicContact CG-CE1 4.04Å; M22-F127 HydrophobicContact CG-CG 3.58Å; M22-F127 HydrophobicContact SD-CD1 4.31Å; M22-K145 HydrophobicContact CB-CD 3.6Å; M22-K145 HydrophobicContact CE-CB 4.07Å; M22-K145 WeakPolarHBondContact O-CD 3.43Å; M22-K145 WeakPolarHBondContact O-CE 3.33Å; M22-K145 PolarHBondContact O-NZ 2.8Å
23G98.6Very high98.7Very high33 Ų3343.5 Ų43.534%0.3424%0.24SC..  trans-92.5178.5169.400000113G25 D26 K145G23-G25 PolarHBondContact O-N 2.88Å; G23-D26 PolarHBondContact N-OD2 2.92Å; G23-D26 WeakPolarHBondContact O-CB 3.29Å; G23-D26 PolarHBondContact O-N 2.84Å; G23-K145 WeakPolarHBondContact O-CD 3.07Å
24H98.5Very high98.7Very high101 Ų10145.6 Ų45.647%0.46825%0.247SC..THydrogen-bonded Turntrans-62.2130171171.326.2000110.1D26 D69 Y71 K145 V147H24-D26 VanDerWaalsContact C-N 3.31Å; H24-D69 IonicContact CE1-OD1 3.02Å; H24-D69 PolarHBondContact CE1-OD1 3.09Å; H24-D69 IonicContact CE1-OD2 3.9Å; H24-D69 PolarHBondContact CE1-OD2 2.63Å; H24-D69 VanDerWaalsContact CE1-OD2 3.27Å; H24-D69 IonicContact ND1-OD2 3.19Å; H24-Y71 AromaticContact CE1-CD2 3.99Å; H24-Y71 AromaticContact NE2-CD2 3.8Å; H24-K145 PolarHBondContact ND1-O 2.94Å; H24-K145 VanDerWaalsContact ND1-O 3.16Å; H24-V147 HydrophobicContact CB-CG1 3.92Å; H24-V147 VanDerWaalsContact CD2-CG1 3.45Å; H24-V147 WeakPolarHBondContact CD2-CG1 3.49Å
25G98.4Very high98.7Very high23 Ų2340.8 Ų40.824%0.23722%0.224CC..THydrogen-bonded Turntrans92.3-13.6178.300000113.5G23 K144 K145G23-G25 PolarHBondContact O-N 2.88Å; G25-K144 PolarHBondContact O-NZ 3.36Å; G25-K145 PolarHBondContact N-O 3.45Å
26D98.9Very high98.7Very high58 Ų5843 Ų4331%0.3124%0.239SC..  trans-63.4149.2171.1-78.7-23.1000110.9M22 G23 H24 F127 K145M22-D26 WeakPolarHBondContact CA-OD2 3.46Å; M22-D26 HydrophobicContact CB-CB 4Å; M22-D26 HydrophobicContact CE-CB 3.95Å; M22-D26 HydrophobicContact CG-CB 4.09Å; G23-D26 PolarHBondContact N-OD2 2.92Å; G23-D26 WeakPolarHBondContact O-CB 3.29Å; G23-D26 PolarHBondContact O-N 2.84Å; H24-D26 VanDerWaalsContact C-N 3.31Å; D26-F127 HydrophobicContact CB-CB 4.18Å; D26-K145 PolarHBondContact O-N 3.47Å
27E98.9Very high98.7Very high23 Ų2341.3 Ų41.311%0.10723%0.23CC..EExtended strand (participates in β ladder)trans-117.8143.2-176.1-64.2-173.7168.700112R122 A126 F127 I142 L143 K144E27-R122 IonicContact OE1-CZ 3.36Å; E27-R122 IonicContact OE1-NE 2.63Å; E27-R122 PolarHBondContact OE1-NE 3.44Å; E27-R122 IonicContact OE1-NH2 3.62Å; E27-R122 PolarHBondContact OE1-NH2 3.16Å; E27-R122 VanDerWaalsContact OE2-CG 3.3Å; E27-R122 WeakPolarHBondContact OE2-CG 3.13Å; E27-R122 IonicContact OE2-CZ 3.42Å; E27-R122 IonicContact OE2-NE 2.61Å; E27-R122 PolarHBondContact OE2-NE 3.27Å; E27-R122 IonicContact OE2-NH2 3.47Å; E27-A126 HydrophobicContact CB-CB 4.35Å; E27-A126 WeakPolarHBondContact O-CB 3.38Å; E27-F127 WeakPolarHBondContact O-CB 3.41Å; E27-F127 PolarHBondContact O-N 2.74Å; E27-I142 HydrophobicContact CB-CG2 3.9Å; E27-I142 HydrophobicContact CG-CG2 4.23Å; E27-L143 CarbonylContact C-O 3.57Å; E27-L143 WeakPolarHBondContact CA-O 3.27Å; E27-K144 HydrophobicContact CG-CB 4.17Å; E27-K144 HydrophobicContact CG-CG 4.03Å; E27-K144 IonicContact OE1-NZ 2.77Å; E27-K144 PolarHBondContact OE1-NZ 2.91Å
28L98.9Very high98.7Very high0 Ų038.2 Ų38.20%023%0.23CC..EExtended strand (participates in β ladder)trans-118.8131175.1-179.471.8000108.8L15 L19 M22 L30 I62 A128 V130 I142 L143L15-L28 HydrophobicContact CD1-CD2 4.36Å; L19-L28 HydrophobicContact CD2-CD2 3.81Å; M22-L28 HydrophobicContact CE-CB 3.87Å; M22-L28 HydrophobicContact SD-CB 4.2Å; L28-L30 HydrophobicContact CD2-CD2 4.41Å; L28-I62 HydrophobicContact CD2-CD1 3.86Å; L28-I62 HydrophobicContact CD2-CG2 4.41Å; L28-A128 HydrophobicContact CD1-CB 3.75Å; L28-V130 HydrophobicContact CD1-CG2 3.82Å; L28-V130 HydrophobicContact CG-CG2 4.39Å; L28-I142 CarbonylContact O-C 3.59Å; L28-I142 WeakPolarHBondContact O-CA 3.46Å; L28-L143 PolarHBondContact N-O 3.11Å; L28-L143 PolarHBondContact O-N 3.37Å
29V98.9Very high98.7Very high0 Ų041.4 Ų41.40%025%0.252CS..EExtended strand (participates in β ladder)trans-100.1126.1174.3-169.80000109.6A31 F119 A123 A126 A128 V129 V130 L141 I142V29-A31 HydrophobicContact CG1-CB 4.49Å; V29-F119 HydrophobicContact CG1-CE1 4.46Å; V29-A123 HydrophobicContact CG2-CB 3.98Å; V29-A126 HydrophobicContact CG2-CB 3.65Å; V29-A128 PolarHBondContact N-O 2.88Å; V29-V129 HydrophobicContact CB-CB 4.28Å; V29-V129 HydrophobicContact CB-CG1 4.11Å; V29-V129 HydrophobicContact CB-CG2 3.98Å; V29-V129 HydrophobicContact CG1-CG1 4.3Å; V29-V129 HydrophobicContact CG2-CG2 3.98Å; V29-V130 PolarHBondContact O-N 3.44Å; V29-L141 CarbonylContact C-O 3.56Å; V29-L141 WeakPolarHBondContact CA-O 3.44Å; V29-I142 HydrophobicContact CG1-CG1 4.42Å; V29-I142 HydrophobicContact CG2-CG1 4.15Å
30L98.9Very high98.7Very high0 Ų041.2 Ų41.20%025%0.251CS..EExtended strand (participates in β ladder)trans-92.8111.9159.6-56.2-174.9000107.3L28 L58 L59 I62 V130 C140 L141L28-L30 HydrophobicContact CD2-CD2 4.41Å; L30-L58 HydrophobicContact CD2-CD2 4.07Å; L30-L59 HydrophobicContact CD1-CB 3.94Å; L30-L59 HydrophobicContact CD1-CD1 4.5Å; L30-I62 HydrophobicContact CD1-CD1 4.25Å; L30-I62 HydrophobicContact CD2-CD1 3.66Å; L30-I62 HydrophobicContact CG-CD1 4.47Å; L30-V130 HydrophobicContact CD2-CB 4.01Å; L30-V130 HydrophobicContact CD2-CG2 4.11Å; L30-C140 CarbonylContact O-C 3.59Å; L30-C140 VanDerWaalsContact O-CA 3.26Å; L30-C140 WeakPolarHBondContact O-CA 3.45Å; L30-L141 HydrophobicContact CB-CB 4.41Å; L30-L141 PolarHBondContact N-O 3Å; L30-L141 PolarHBondContact O-N 3.15Å
31A98.9Very high98.7Very high0 Ų038.3 Ų38.30%023%0.226CC..EExtended strand (participates in β ladder)trans-100.8132.1-173.300000110.6V29 F35 V129 V130 T132V29-A31 HydrophobicContact CG1-CB 4.49Å; A31-F35 HydrophobicContact CB-CB 3.79Å; A31-F35 HydrophobicContact CB-CD1 3.63Å; A31-F35 HydrophobicContact CB-CE1 4.48Å; A31-F35 HydrophobicContact CB-CG 3.84Å; A31-V129 HydrophobicContact CB-CG1 3.72Å; A31-V130 PolarHBondContact N-O 3.27Å; A31-T132 WeakPolarHBondContact O-CB 3.38Å; A31-T132 PolarHBondContact O-N 3.07Å; A31-T132 PolarHBondContact O-OG1 2.95Å
32D98.8Very high98.7Very high12 Ų1237.8 Ų37.86%0.06423%0.233CC..  trans-72.3168.8168.670.550.7000111.6N34 F35 E134 G139 C140D32-N34 PolarHBondContact O-N 2.83Å; D32-N34 VanDerWaalsContact O-N 3.14Å; D32-N34 WeakPolarHBondContact OD1-CA 3.48Å; D32-N34 WeakPolarHBondContact OD1-CB 3.39Å; D32-N34 PolarHBondContact OD1-N 2.94Å; D32-F35 WeakPolarHBondContact O-CB 3.49Å; D32-F35 PolarHBondContact O-N 3.47Å; D32-F35 VanDerWaalsContact O-N 3.08Å; D32-F35 PolarHBondContact OD1-N 3.27Å; D32-F35 VanDerWaalsContact OD1-N 3.1Å; D32-E134 HydrophobicContact CB-CB 4.08Å; D32-E134 HydrophobicContact CB-CG 4.07Å; D32-E134 WeakPolarHBondContact CB-O 3.41Å; D32-G139 PolarHBondContact OD2-N 3.27Å; D32-C140 PolarHBondContact N-SG 3.42Å; D32-C140 VanDerWaalsContact N-SG 3.42Å; D32-C140 PolarHBondContact OD2-N 2.69Å; D32-C140 PolarHBondContact OD2-SG 2.61Å
33T98.4Very high98.6Very high75 Ų7541 Ų4146%0.4626%0.256SS..THydrogen-bonded Turntrans-62.3-18.5-176.148.20000114.3E134 T135T33-E134 WeakPolarHBondContact CB-O 3.37Å; T33-E134 VanDerWaalsContact CG2-O 3.25Å; T33-E134 WeakPolarHBondContact CG2-O 3.47Å; T33-E134 PolarHBondContact N-O 2.86Å; T33-E134 PolarHBondContact OG1-O 3.24Å; T33-T135 HydrophobicContact CG2-CG2 4.44Å
34N98.5Very high98.5Very high110 Ų11042.4 Ų42.459%0.58827%0.269SS*.THydrogen-bonded Turntrans-96.5-10.9178.7-59.2-74.4000112.6D32D32-N34 PolarHBondContact O-N 2.83Å; D32-N34 VanDerWaalsContact O-N 3.14Å; D32-N34 WeakPolarHBondContact OD1-CA 3.48Å; D32-N34 WeakPolarHBondContact OD1-CB 3.39Å; D32-N34 PolarHBondContact OD1-N 2.94Å
35F98.8Very high98.5Very high14 Ų1437.8 Ų37.86%0.06125%0.249CC..SBendtrans-66.1138.8177-168.6-98.3000110.6A31 D32 T37 T40 M79 F119 Y120 A123 V129 C140A31-F35 HydrophobicContact CB-CB 3.79Å; A31-F35 HydrophobicContact CB-CD1 3.63Å; A31-F35 HydrophobicContact CB-CE1 4.48Å; A31-F35 HydrophobicContact CB-CG 3.84Å; D32-F35 WeakPolarHBondContact O-CB 3.49Å; D32-F35 PolarHBondContact O-N 3.47Å; D32-F35 VanDerWaalsContact O-N 3.08Å; D32-F35 PolarHBondContact OD1-N 3.27Å; D32-F35 VanDerWaalsContact OD1-N 3.1Å; F35-T37 PolarHBondContact O-N 3.01Å; F35-T40 HydrophobicContact CE1-CG2 4.13Å; F35-T40 HydrophobicContact CZ-CG2 4.31Å; F35-M79 HydrophobicContact CE2-CE 4.45Å; F35-F119 HydrophobicContact CD2-CE1 4.4Å; F35-F119 AromaticContact CE2-CD1 3.95Å; F35-F119 HydrophobicContact CE2-CD1 3.95Å; F35-F119 AromaticContact CE2-CE1 3.72Å; F35-F119 HydrophobicContact CE2-CE1 3.72Å; F35-F119 HydrophobicContact CZ-CE1 4.41Å; F35-Y120 HydrophobicContact CD2-CD1 4.42Å; F35-Y120 AromaticContact CD2-CE1 3.98Å; F35-Y120 HydrophobicContact CD2-CE1 3.98Å; F35-Y120 AromaticContact CE2-CD1 3.58Å; F35-Y120 HydrophobicContact CE2-CD1 3.58Å; F35-Y120 AromaticContact CE2-CE1 3.59Å; F35-Y120 HydrophobicContact CE2-CE1 3.59Å; F35-Y120 HydrophobicContact CZ-CD1 4.04Å; F35-Y120 HydrophobicContact CZ-CE1 4.38Å; F35-A123 HydrophobicContact CZ-CB 3.71Å; F35-V129 HydrophobicContact CD1-CG1 4.32Å; F35-V129 HydrophobicContact CE1-CG1 4.15Å; F35-C140 HydrophobicContact CD2-CB 4.46Å; F35-C140 WeakPolarHBondContact CD2-SG 3.47Å
36P98.5Very high98.5Very high48 Ų4840.1 Ų40.131%0.31226%0.255SS..  trans-80.652.1-175.136.4-39.4000112.6S38 S39 T40 Y120P36-S38 PolarHBondContact O-N 3.38Å; P36-S39 WeakPolarHBondContact CB-OG 3.37Å; P36-S39 PolarHBondContact O-N 2.91Å; P36-S39 VanDerWaalsContact O-N 3.1Å; P36-S39 PolarHBondContact O-OG 2.87Å; P36-T40 PolarHBondContact O-N 3.21Å; P36-T40 PolarHBondContact O-OG1 2.8Å; P36-Y120 HydrophobicContact CG-CD1 4.42Å; P36-Y120 HydrophobicContact CG-CE1 4Å
37T98.8Very high98.5Very high8 Ų840.8 Ų40.85%0.04926%0.256CS..Hα-helixtrans-48.7-52.8-170.1-59.20000112.9F35 S39 T40 C41 E47 V129 A131F35-T37 PolarHBondContact O-N 3.01Å; T37-S39 VanDerWaalsContact C-N 3.31Å; T37-S39 PolarHBondContact O-N 3.47Å; T37-T40 PolarHBondContact O-N 2.83Å; T37-T40 VanDerWaalsContact O-N 3.12Å; T37-C41 WeakPolarHBondContact O-CB 3.24Å; T37-C41 PolarHBondContact O-N 2.87Å; T37-C41 PolarHBondContact O-SG 2.7Å; T37-E47 HydrophobicContact CG2-CG 3.89Å; T37-V129 HydrophobicContact CG2-CB 4.2Å; T37-V129 HydrophobicContact CG2-CG1 3.63Å; T37-A131 HydrophobicContact CG2-CB 4.05Å
38S98.4Very high98.5Very high79 Ų7940.1 Ų40.155%0.55225%0.253SS*.Hα-helixtrans-57.2-45.4-176.51800000111.8P36 C41 T42P36-S38 PolarHBondContact O-N 3.38Å; S38-C41 PolarHBondContact O-N 3.45Å; S38-T42 WeakPolarHBondContact O-CG2 3.44Å; S38-T42 PolarHBondContact O-N 3.16Å
39S98.5Very high98.5Very high68 Ų6846.6 Ų46.648%0.47628%0.278SS..Hα-helixtrans-69.7-38.317870.80000112.7P36 T37 C41 T42P36-S39 WeakPolarHBondContact CB-OG 3.37Å; P36-S39 PolarHBondContact O-N 2.91Å; P36-S39 VanDerWaalsContact O-N 3.1Å; P36-S39 PolarHBondContact O-OG 2.87Å; T37-S39 VanDerWaalsContact C-N 3.31Å; T37-S39 PolarHBondContact O-N 3.47Å; S39-C41 VanDerWaalsContact C-N 3.33Å; S39-C41 PolarHBondContact O-N 3.25Å; S39-T42 PolarHBondContact O-N 3.13Å; S39-T42 PolarHBondContact O-OG1 3.37Å
40T98.6Very high98.5Very high4 Ų447.4 Ų47.43%0.02528%0.284CS..Hα-helixtrans-62.4-41.3176.8-60.90000111.4F35 P36 T37 T42 C43 P45 A123 K124 V129F35-T40 HydrophobicContact CE1-CG2 4.13Å; F35-T40 HydrophobicContact CZ-CG2 4.31Å; P36-T40 PolarHBondContact O-N 3.21Å; P36-T40 PolarHBondContact O-OG1 2.8Å; T37-T40 PolarHBondContact O-N 2.83Å; T37-T40 VanDerWaalsContact O-N 3.12Å; T40-T42 VanDerWaalsContact C-N 3.28Å; T40-T42 PolarHBondContact O-N 3.15Å; T40-C43 VanDerWaalsContact O-CB 3.32Å; T40-C43 WeakPolarHBondContact O-CB 3.4Å; T40-C43 PolarHBondContact O-N 3.37Å; T40-C43 VanDerWaalsContact O-N 3.08Å; T40-P45 HydrophobicContact CG2-CG 4.29Å; T40-A123 HydrophobicContact CG2-CB 4.06Å; T40-K124 HydrophobicContact CG2-CG 4.08Å; T40-V129 HydrophobicContact CG2-CG2 4.27Å
41C98.6Very high98.5Very high18 Ų1851.7 Ų51.712%0.12231%0.307CS..Hα-helixtrans-69.8-22.6-179.1-65.20000113.6T37 S38 S39 C43 G44 P45 E47T37-C41 WeakPolarHBondContact O-CB 3.24Å; T37-C41 PolarHBondContact O-N 2.87Å; T37-C41 PolarHBondContact O-SG 2.7Å; S38-C41 PolarHBondContact O-N 3.45Å; S39-C41 VanDerWaalsContact C-N 3.33Å; S39-C41 PolarHBondContact O-N 3.25Å; C41-C43 PolarHBondContact O-N 3.44Å; C41-C43 VanDerWaalsContact O-N 3.11Å; C41-G44 PolarHBondContact O-N 2.94Å; C41-P45 WeakPolarHBondContact CB-O 3.43Å; C41-E47 HydrophobicContact CB-CB 3.85Å
42T98.3Very high98.4Very high114 Ų11455.4 Ų55.470%0.69935%0.345SS*.THydrogen-bonded Turntrans-62.5-17.3170.170.20000113.5S38 S39 T40S38-T42 WeakPolarHBondContact O-CG2 3.44Å; S38-T42 PolarHBondContact O-N 3.16Å; S39-T42 PolarHBondContact O-N 3.13Å; S39-T42 PolarHBondContact O-OG1 3.37Å; T40-T42 VanDerWaalsContact C-N 3.28Å; T40-T42 PolarHBondContact O-N 3.15Å
43C97.1Very high98.4Very high74 Ų7456.7 Ų56.750%0.535%0.352SS..THydrogen-bonded Turntrans-91.6-4.6-179-59.10000114.2T40 C41 K124T40-C43 VanDerWaalsContact O-CB 3.32Å; T40-C43 WeakPolarHBondContact O-CB 3.4Å; T40-C43 PolarHBondContact O-N 3.37Å; T40-C43 VanDerWaalsContact O-N 3.08Å; C41-C43 PolarHBondContact O-N 3.44Å; C41-C43 VanDerWaalsContact O-N 3.11Å; C43-K124 HydrophobicContact CB-CB 4.08Å; C43-K124 HydrophobicContact CB-CD 4.24Å; C43-K124 HydrophobicContact CB-CG 3.88Å
44G96.8Very high98.4Very high61 Ų6153.9 Ų53.963%0.62934%0.338SS*.SBendtrans151.8-54.6-179.400000116.7C41C41-G44 PolarHBondContact O-N 2.94Å
45P98.7Very high98.4Very high5 Ų548.6 Ų48.63%0.03231%0.31CS..SBendtrans-67.9149.8-169.422.4-29.1000111.7T40 C41 E47 K124 A126 V129T40-P45 HydrophobicContact CG2-CG 4.29Å; C41-P45 WeakPolarHBondContact CB-O 3.43Å; P45-E47 PolarHBondContact O-N 3.19Å; P45-K124 WeakPolarHBondContact CD-O 3.47Å; P45-A126 WeakPolarHBondContact CB-O 3.43Å; P45-V129 HydrophobicContact CB-CG2 3.94Å; P45-V129 HydrophobicContact CG-CG2 3.83Å
46I98.7Very high98.3Very high71 Ų7148.6 Ų48.636%0.36431%0.313SS..EExtended strand (participates in β ladder)trans-68.3126.5174.3-57.2171000108.9I48 F127 A128 V129I46-I48 HydrophobicContact CG2-CG1 4.03Å; I46-F127 HydrophobicContact CD1-CE1 3.81Å; I46-F127 HydrophobicContact CD1-CZ 4.01Å; I46-F127 PolarHBondContact N-O 2.92Å; I46-F127 VanDerWaalsContact N-O 3.09Å; I46-A128 HydrophobicContact CB-CB 4.08Å; I46-A128 CarbonylContact O-C 3.6Å; I46-A128 WeakPolarHBondContact O-CA 3.38Å; I46-A128 WeakPolarHBondContact O-CB 3.32Å; I46-V129 PolarHBondContact O-N 3.43Å
47E98.8Very high98.3Very high72 Ų7251.8 Ų51.834%0.33632%0.323SS..EExtended strand (participates in β ladder)trans-79.2124.3169.8-173.9167.9172.100110.2T37 C41 P45 R49T37-E47 HydrophobicContact CG2-CG 3.89Å; C41-E47 HydrophobicContact CB-CB 3.85Å; P45-E47 PolarHBondContact O-N 3.19Å; E47-R49 WeakPolarHBondContact OE1-CD 3.49Å; E47-R49 IonicContact OE1-CZ 3.52Å; E47-R49 IonicContact OE1-NH1 3.98Å; E47-R49 PolarHBondContact OE1-NH1 3.19Å
48I98.9Very high98.3Very high10 Ų1051.5 Ų51.55%0.05132%0.321CS..EExtended strand (participates in β ladder)trans-123.4133.9174.2-56.3178.1000108.2L15 A18 I46 A128 V129 V130 A131L15-I48 HydrophobicContact CB-CG2 4.34Å; L15-I48 HydrophobicContact CD1-CD1 4.34Å; A18-I48 HydrophobicContact CB-CD1 3.67Å; I46-I48 HydrophobicContact CG2-CG1 4.03Å; I48-A128 HydrophobicContact CD1-CB 4.12Å; I48-V129 PolarHBondContact N-O 2.95Å; I48-V130 HydrophobicContact CB-CG1 4.42Å; I48-V130 HydrophobicContact CB-CG2 4.3Å; I48-V130 HydrophobicContact CG2-CG1 4.3Å; I48-V130 CarbonylContact O-C 3.55Å; I48-V130 VanDerWaalsContact O-CA 3.29Å; I48-V130 WeakPolarHBondContact O-CA 3.43Å; I48-A131 PolarHBondContact O-N 2.88Å
49R98.7Very high98.3Very high136 Ų13647.7 Ų47.751%0.51330%0.295SS..EExtended strand (participates in β ladder)trans-99.7129.8-178.7-62.7-55.6-67.1-159.9-1.7111.1E47 D51E47-R49 WeakPolarHBondContact OE1-CD 3.49Å; E47-R49 IonicContact OE1-CZ 3.52Å; E47-R49 IonicContact OE1-NH1 3.98Å; E47-R49 PolarHBondContact OE1-NH1 3.19Å; R49-D51 WeakPolarHBondContact CB-OD2 3.38Å; R49-D51 IonicContact CZ-OD1 3.63Å; R49-D51 IonicContact CZ-OD2 3.03Å; R49-D51 IonicContact NE-OD1 3.79Å; R49-D51 PolarHBondContact NE-OD1 3.1Å; R49-D51 IonicContact NE-OD2 2.74Å; R49-D51 PolarHBondContact NE-OD2 3.3Å; R49-D51 IonicContact NH2-OD1 3.29Å; R49-D51 PolarHBondContact NH2-OD1 2.68Å; R49-D51 IonicContact NH2-OD2 3.92Å
50A98.6Very high98.3Very high16 Ų1648.4 Ų48.413%0.13229%0.29CS..EExtended strand (participates in β ladder)trans-139.942.8174.800000110.2G52 L53 L58 V130 A131A50-G52 PolarHBondContact O-N 3.1Å; A50-L53 HydrophobicContact CB-CD1 4.42Å; A50-L53 PolarHBondContact O-N 2.98Å; A50-L58 HydrophobicContact CB-CD2 4.05Å; A50-V130 HydrophobicContact CB-CG1 3.71Å; A50-A131 CarbonylContact C-O 3.5Å; A50-A131 WeakPolarHBondContact CA-O 3.41Å; A50-A131 PolarHBondContact N-O 3.17Å
51D98.3Very high98.3Very high90 Ų9048.4 Ų48.448%0.48129%0.291SS..THydrogen-bonded Turntrans-52.4-29.6-169.3-62.6-91.7000115.3R49 G133R49-D51 WeakPolarHBondContact CB-OD2 3.38Å; R49-D51 IonicContact CZ-OD1 3.63Å; R49-D51 IonicContact CZ-OD2 3.03Å; R49-D51 IonicContact NE-OD1 3.79Å; R49-D51 PolarHBondContact NE-OD1 3.1Å; R49-D51 IonicContact NE-OD2 2.74Å; R49-D51 PolarHBondContact NE-OD2 3.3Å; R49-D51 IonicContact NH2-OD1 3.29Å; R49-D51 PolarHBondContact NH2-OD1 2.68Å; R49-D51 IonicContact NH2-OD2 3.92Å; D51-G133 WeakPolarHBondContact O-CA 3.39Å; D51-G133 PolarHBondContact O-N 3.33Å
52G97.8Very high98.3Very high78 Ų7847.6 Ų47.680%0.80429%0.285SS*.THydrogen-bonded Turntrans-92.45.3-177.800000115.3A50A50-G52 PolarHBondContact O-N 3.1Å
53L98.4Very high98.3Very high39 Ų3943.3 Ų43.320%0.20426%0.258CS..SBendtrans-120.6141.4-174.3-59.6177.1000111.1I10 A50 L58 T132 G133I10-L53 HydrophobicContact CB-CD1 4.14Å; A50-L53 HydrophobicContact CB-CD1 4.42Å; A50-L53 PolarHBondContact O-N 2.98Å; L53-L58 HydrophobicContact CD1-CD1 4.08Å; L53-T132 WeakPolarHBondContact O-CB 3.49Å; L53-G133 PolarHBondContact O-N 2.99Å
54G98.3Very high98.4Very high16 Ų1646.2 Ų46.217%0.16526%0.263CS..  trans-75.9153.8171.100000112.2A56 E57 L58G54-A56 VanDerWaalsContact C-N 3.3Å; G54-A56 PolarHBondContact O-N 3.37Å; G54-E57 WeakPolarHBondContact CA-OE2 3.44Å; G54-E57 PolarHBondContact N-OE2 3.48Å; G54-E57 PolarHBondContact O-N 3.11Å; G54-L58 WeakPolarHBondContact O-CB 3.33Å; G54-L58 PolarHBondContact O-N 3.08Å; G54-L58 VanDerWaalsContact O-N 3.16Å
55A98.4Very high98.4Very high0 Ų046 Ų460%025%0.247CC..Hα-helixtrans-64.9-35.7-178.600000111.8L59 F98 T132 E134A55-L59 WeakPolarHBondContact O-CB 3.25Å; A55-L59 PolarHBondContact O-N 3.12Å; A55-F98 HydrophobicContact CB-CE1 3.94Å; A55-F98 HydrophobicContact CB-CZ 3.83Å; A55-T132 HydrophobicContact CB-CG2 4.48Å; A55-E134 HydrophobicContact CB-CB 3.82Å; A55-E134 HydrophobicContact CB-CG 3.93Å; A55-E134 PolarHBondContact N-OE2 2.79Å
56A97.7Very high98.4Very high14 Ų1446.1 Ų46.112%0.11625%0.247CC..Hα-helixtrans-68.5-39.3-179.600000113.5G54 E60 I97 F98G54-A56 VanDerWaalsContact C-N 3.3Å; G54-A56 PolarHBondContact O-N 3.37Å; A56-E60 PolarHBondContact O-N 3.01Å; A56-E60 VanDerWaalsContact O-N 3.13Å; A56-I97 HydrophobicContact CB-CG2 3.51Å; A56-F98 HydrophobicContact CB-CD1 4.44Å; A56-F98 HydrophobicContact CB-CE1 4.22Å
57E97.9Very high98.3Very high115 Ų11544.2 Ų44.254%0.53724%0.239SC..Hα-helixtrans-68.7-42177.3-65.8141.4176.200110.2I10 G54 E60 A61I10-E57 HydrophobicContact CD1-CB 4.45Å; I10-E57 WeakPolarHBondContact CD1-O 3.3Å; G54-E57 WeakPolarHBondContact CA-OE2 3.44Å; G54-E57 PolarHBondContact N-OE2 3.48Å; G54-E57 PolarHBondContact O-N 3.11Å; E57-E60 PolarHBondContact O-N 2.66Å; E57-A61 PolarHBondContact O-N 3.24Å; E57-A61 VanDerWaalsContact O-N 3.15Å
58L98.6Very high98.3Very high1 Ų141.6 Ų41.61%0.00523%0.227CC..Hα-helixtrans-68-39.6177.9-163.161.3000111.8I10 L11 L15 L30 A50 L53 G54 E60 A61 I62 V130 T132I10-L58 HydrophobicContact CD1-CD1 4.27Å; I10-L58 HydrophobicContact CG1-CD1 4.4Å; L11-L58 HydrophobicContact CD2-CD1 3.97Å; L15-L58 HydrophobicContact CD2-CD1 3.78Å; L15-L58 HydrophobicContact CD2-CD2 4.19Å; L15-L58 HydrophobicContact CD2-CG 4.22Å; L30-L58 HydrophobicContact CD2-CD2 4.07Å; A50-L58 HydrophobicContact CB-CD2 4.05Å; L53-L58 HydrophobicContact CD1-CD1 4.08Å; G54-L58 WeakPolarHBondContact O-CB 3.33Å; G54-L58 PolarHBondContact O-N 3.08Å; G54-L58 VanDerWaalsContact O-N 3.16Å; L58-E60 PolarHBondContact O-N 3.38Å; L58-A61 PolarHBondContact O-N 3.32Å; L58-I62 HydrophobicContact CG-CD1 3.9Å; L58-I62 WeakPolarHBondContact O-CB 3.43Å; L58-I62 WeakPolarHBondContact O-CD1 3.46Å; L58-I62 VanDerWaalsContact O-CG1 3.24Å; L58-I62 WeakPolarHBondContact O-CG1 3.47Å; L58-I62 PolarHBondContact O-N 3.23Å; L58-V130 HydrophobicContact CD2-CG1 3.77Å; L58-T132 HydrophobicContact CD2-CG2 4.04Å
59L98.8Very high98.3Very high0 Ų041.4 Ų41.40%023%0.227CC..Hα-helixtrans-55.3-49.6172.1174.162.7000111.2L30 A55 A61 I62 L63 F98 K101 L141 L143L30-L59 HydrophobicContact CD1-CB 3.94Å; L30-L59 HydrophobicContact CD1-CD1 4.5Å; A55-L59 WeakPolarHBondContact O-CB 3.25Å; A55-L59 PolarHBondContact O-N 3.12Å; L59-A61 VanDerWaalsContact C-N 3.31Å; L59-A61 PolarHBondContact O-N 3.25Å; L59-I62 PolarHBondContact O-N 2.89Å; L59-L63 HydrophobicContact CD1-CD1 3.67Å; L59-L63 HydrophobicContact CD1-CD2 4.27Å; L59-L63 HydrophobicContact CD1-CG 3.81Å; L59-L63 HydrophobicContact CG-CD1 3.79Å; L59-L63 HydrophobicContact CG-CG 4.31Å; L59-L63 WeakPolarHBondContact O-CB 3.21Å; L59-L63 VanDerWaalsContact O-CG 3.26Å; L59-L63 WeakPolarHBondContact O-CG 3.43Å; L59-L63 PolarHBondContact O-N 3.08Å; L59-F98 HydrophobicContact CD2-CB 4.18Å; L59-F98 HydrophobicContact CD2-CD1 3.77Å; L59-F98 HydrophobicContact CD2-CG 4.25Å; L59-K101 HydrophobicContact CD2-CB 3.79Å; L59-K101 HydrophobicContact CD2-CG 4.39Å; L59-K101 HydrophobicContact CG-CB 4.21Å; L59-L141 HydrophobicContact CD1-CD2 3.72Å; L59-L141 HydrophobicContact CD2-CD2 3.69Å; L59-L141 HydrophobicContact CG-CD2 4.24Å; L59-L143 HydrophobicContact CD1-CD1 3.67Å; L59-L143 HydrophobicContact CD1-CD2 3.85Å; L59-L143 HydrophobicContact CD1-CG 4.31Å
60E98.6Very high98.2Very high82 Ų8240.4 Ų40.438%0.38324%0.235SC..Hα-helixtrans-59.7-41.2178.9-173.4178.516500112.3A56 E57 L58 K101A56-E60 PolarHBondContact O-N 3.01Å; A56-E60 VanDerWaalsContact O-N 3.13Å; E57-E60 PolarHBondContact O-N 2.66Å; L58-E60 PolarHBondContact O-N 3.38Å; E60-K101 HydrophobicContact CB-CD 4.17Å; E60-K101 HydrophobicContact CG-CD 4.44Å; E60-K101 WeakPolarHBondContact OE2-CE 3.39Å; E60-K101 IonicContact OE2-NZ 3.21Å; E60-K101 PolarHBondContact OE2-NZ 3.46Å
61A98.6Very high98.1Very high5 Ų547.7 Ų47.74%0.04126%0.261CS..Hα-helixtrans-67-41.317600000112.7P8 I10 L11 E57 L58 L59 K64P8-A61 HydrophobicContact CB-CB 3.67Å; P8-A61 HydrophobicContact CG-CB 4.09Å; I10-A61 HydrophobicContact CD1-CB 3.57Å; I10-A61 HydrophobicContact CG1-CB 3.59Å; L11-A61 HydrophobicContact CD2-CB 3.88Å; L11-A61 HydrophobicContact CG-CB 4.2Å; E57-A61 PolarHBondContact O-N 3.24Å; E57-A61 VanDerWaalsContact O-N 3.15Å; L58-A61 PolarHBondContact O-N 3.32Å; L59-A61 VanDerWaalsContact C-N 3.31Å; L59-A61 PolarHBondContact O-N 3.25Å; A61-K64 PolarHBondContact O-N 3.14Å
62I98.8Very high98.1Very high0 Ų045.6 Ų45.60%025%0.251CS..Hα-helixtrans-64.5-44.8178.7-72.3163.7000110.7L11 L15 L19 L28 L30 L58 L59 K64 L65 L66 L143L11-I62 HydrophobicContact CD2-CG1 4.04Å; L15-I62 HydrophobicContact CD2-CD1 4.3Å; L15-I62 HydrophobicContact CD2-CG1 4.38Å; L19-I62 HydrophobicContact CD1-CG1 4.31Å; L19-I62 HydrophobicContact CD2-CG2 3.97Å; L28-I62 HydrophobicContact CD2-CD1 3.86Å; L28-I62 HydrophobicContact CD2-CG2 4.41Å; L30-I62 HydrophobicContact CD1-CD1 4.25Å; L30-I62 HydrophobicContact CD2-CD1 3.66Å; L30-I62 HydrophobicContact CG-CD1 4.47Å; L58-I62 HydrophobicContact CG-CD1 3.9Å; L58-I62 WeakPolarHBondContact O-CB 3.43Å; L58-I62 WeakPolarHBondContact O-CD1 3.46Å; L58-I62 VanDerWaalsContact O-CG1 3.24Å; L58-I62 WeakPolarHBondContact O-CG1 3.47Å; L58-I62 PolarHBondContact O-N 3.23Å; L59-I62 PolarHBondContact O-N 2.89Å; I62-K64 PolarHBondContact O-N 2.81Å; I62-K64 VanDerWaalsContact O-N 3.13Å; I62-L65 PolarHBondContact O-N 3.26Å; I62-L66 HydrophobicContact CG2-CB 3.69Å; I62-L66 HydrophobicContact CG2-CD2 3.67Å; I62-L66 HydrophobicContact CG2-CG 4.32Å; I62-L66 WeakPolarHBondContact O-CB 3.5Å; I62-L66 PolarHBondContact O-N 2.95Å; I62-L143 HydrophobicContact CG2-CD1 4.08Å
63L98.6Very high98Very high25 Ų2547.7 Ų47.713%0.13125%0.251CS..Hα-helixtrans-64.8-16.8-177.4-69.2173000113.9L59 L65 L68 L102 A105L59-L63 HydrophobicContact CD1-CD1 3.67Å; L59-L63 HydrophobicContact CD1-CD2 4.27Å; L59-L63 HydrophobicContact CD1-CG 3.81Å; L59-L63 HydrophobicContact CG-CD1 3.79Å; L59-L63 HydrophobicContact CG-CG 4.31Å; L59-L63 WeakPolarHBondContact O-CB 3.21Å; L59-L63 VanDerWaalsContact O-CG 3.26Å; L59-L63 WeakPolarHBondContact O-CG 3.43Å; L59-L63 PolarHBondContact O-N 3.08Å; L63-L65 PolarHBondContact O-N 2.77Å; L63-L68 HydrophobicContact CD2-CD1 3.85Å; L63-L68 HydrophobicContact CD2-CD2 4.03Å; L63-L68 HydrophobicContact CD2-CG 3.83Å; L63-L102 HydrophobicContact CD1-CD2 4.05Å; L63-L102 HydrophobicContact CD2-CD2 4.2Å; L63-A105 HydrophobicContact CB-CB 3.9Å; L63-A105 HydrophobicContact CD1-CB 3.82Å; L63-A105 HydrophobicContact CG-CB 4.3Å
64K97.7Very high98Very high135 Ų13546.7 Ų46.759%0.58725%0.247SC*.THydrogen-bonded Turntrans-69.1-21.1170.8-71.1174.9179178.70113.2P8 A61 I62P8-K64 HydrophobicContact CG-CB 4.23Å; P8-K64 HydrophobicContact CG-CD 3.7Å; A61-K64 PolarHBondContact O-N 3.14Å; I62-K64 PolarHBondContact O-N 2.81Å; I62-K64 VanDerWaalsContact O-N 3.13Å
65L97.8Very high98Very high57 Ų5746.2 Ų46.230%0.29824%0.241SC..THydrogen-bonded Turntrans-121.7-31.4-174.9-54.2-179.6000113I7 L11 L16 I62 L63 P67I7-L65 HydrophobicContact CD1-CD1 3.99Å; I7-L65 HydrophobicContact CD1-CD2 3.78Å; I7-L65 HydrophobicContact CG2-CD1 4.35Å; L11-L65 HydrophobicContact CD1-CD1 3.5Å; L11-L65 VanDerWaalsContact CD1-CD1 3.5Å; L11-L65 HydrophobicContact CD1-CG 4.5Å; L16-L65 HydrophobicContact CD1-CD1 3.78Å; I62-L65 PolarHBondContact O-N 3.26Å; L63-L65 PolarHBondContact O-N 2.77Å; L65-P67 WeakPolarHBondContact O-CD 3.42Å
66L98.3Very high98.1Very high6 Ų646.4 Ų46.43%0.03124%0.242CC..  trans-94.6109.6-174-172.272.9000110.5L19 I62 L68 L143 K145L19-L66 HydrophobicContact CD2-CB 4.42Å; L19-L66 HydrophobicContact CD2-CD1 4.07Å; L19-L66 HydrophobicContact CD2-CD2 4.24Å; L19-L66 HydrophobicContact CD2-CG 4.48Å; I62-L66 HydrophobicContact CG2-CB 3.69Å; I62-L66 HydrophobicContact CG2-CD2 3.67Å; I62-L66 HydrophobicContact CG2-CG 4.32Å; I62-L66 WeakPolarHBondContact O-CB 3.5Å; I62-L66 PolarHBondContact O-N 2.95Å; L66-L68 HydrophobicContact CD2-CD2 4.18Å; L66-L68 HydrophobicContact CG-CD2 4.48Å; L66-L143 HydrophobicContact CD2-CB 4.33Å; L66-L143 HydrophobicContact CD2-CD1 4.37Å; L66-K145 HydrophobicContact CD1-CB 3.95Å; L66-K145 HydrophobicContact CD1-CD 3.59Å; L66-K145 HydrophobicContact CD1-CG 3.61Å
67P97.5Very high98.1Very high31 Ų3145.7 Ų45.720%0.20124%0.237CC..PPolyproline II helixtrans-65.6139.7169.332.4-38.8000109.2L65 K145 G146 I148L65-P67 WeakPolarHBondContact O-CD 3.42Å; P67-K145 HydrophobicContact CG-CG 4.45Å; P67-K145 WeakPolarHBondContact O-CA 3.36Å; P67-G146 PolarHBondContact O-N 2.8Å; P67-I148 HydrophobicContact CB-CG1 4.03Å; P67-I148 HydrophobicContact CG-CD1 4.23Å; P67-I148 HydrophobicContact CG-CG1 3.82Å
68L98.4Very high98.2Very high18 Ų1840.2 Ų40.29%0.09421%0.211CC..BIsolated β-bridgetrans-94.2150173.6-66.3-159.3000111.6L63 L66 T70 P75 L102 V107 L143 K144L63-L68 HydrophobicContact CD2-CD1 3.85Å; L63-L68 HydrophobicContact CD2-CD2 4.03Å; L63-L68 HydrophobicContact CD2-CG 3.83Å; L66-L68 HydrophobicContact CD2-CD2 4.18Å; L66-L68 HydrophobicContact CG-CD2 4.48Å; L68-T70 PolarHBondContact O-N 2.76Å; L68-P75 HydrophobicContact CB-CB 3.9Å; L68-P75 HydrophobicContact CB-CG 3.95Å; L68-P75 HydrophobicContact CD1-CB 4.26Å; L68-P75 HydrophobicContact CD1-CG 4Å; L68-L102 HydrophobicContact CD1-CD2 3.51Å; L68-V107 HydrophobicContact CB-CG2 4.24Å; L68-V107 HydrophobicContact CD1-CG1 4.31Å; L68-V107 HydrophobicContact CD1-CG2 3.93Å; L68-V107 HydrophobicContact CG-CG2 4.29Å; L68-L143 HydrophobicContact CD1-CD2 4.28Å; L68-L143 HydrophobicContact CD2-CB 4.23Å; L68-L143 HydrophobicContact CD2-CD2 4.36Å; L68-K144 WeakPolarHBondContact CA-O 3.28Å
69D98.3Very high98.2Very high6 Ų640.9 Ų40.93%0.03221%0.214CC..PPolyproline II helixtrans-69116.1-175.7-168.2-12.4000112.7H24 Y71 V72 P75 K144 G146H24-D69 IonicContact CE1-OD1 3.02Å; H24-D69 PolarHBondContact CE1-OD1 3.09Å; H24-D69 IonicContact CE1-OD2 3.9Å; H24-D69 PolarHBondContact CE1-OD2 2.63Å; H24-D69 VanDerWaalsContact CE1-OD2 3.27Å; H24-D69 IonicContact ND1-OD2 3.19Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.41Å; D69-Y71 PolarHBondContact OD1-N 2.8Å; D69-V72 HydrophobicContact CB-CG2 3.99Å; D69-P75 HydrophobicContact CB-CB 4.28Å; D69-P75 WeakPolarHBondContact O-CB 3.21Å; D69-K144 HydrophobicContact CB-CB 4.18Å; D69-K144 HydrophobicContact CB-CD 4.08Å; D69-K144 HydrophobicContact CB-CG 3.93Å; D69-K144 PolarHBondContact N-O 2.9Å; D69-K144 WeakPolarHBondContact OD2-CD 3.49Å; D69-K144 WeakPolarHBondContact OD2-CE 3.22Å; D69-G146 VanDerWaalsContact CA-CA 3.46Å
70T96.7Very high98.1Very high114 Ų11443.5 Ų43.570%0.69923%0.227SC*.SBendtrans-90.8-2.7179.157.30000113.5L68L68-T70 PolarHBondContact O-N 2.76Å
71Y96.8Very high98.1Very high170 Ų17040.8 Ų40.867%0.66721%0.214SC*.SBendtrans-92-0179.2-60.2-75.3000113.1H24 D69 V147H24-Y71 AromaticContact CE1-CD2 3.99Å; H24-Y71 AromaticContact NE2-CD2 3.8Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.41Å; D69-Y71 PolarHBondContact OD1-N 2.8Å; Y71-V147 HydrophobicContact CE2-CG2 3.94Å
72V97.4Very high98.1Very high45 Ų4542.5 Ų42.527%0.27322%0.224SC..SBendtrans-115.9152.4176.8-62.40000110.9D69 S74 P75 K144D69-V72 HydrophobicContact CB-CG2 3.99Å; V72-S74 PolarHBondContact O-N 2.83Å; V72-P75 HydrophobicContact CG2-CB 4.11Å; V72-K144 HydrophobicContact CG1-CD 4.11Å; V72-K144 HydrophobicContact CG2-CD 4.22Å
73P97.3Very high98.1Very high123 Ų12347.6 Ų47.680%0.79925%0.252SS*.SBendtrans-59.1-34.6178.2-25.334.5000113.7A109P73-A109 WeakPolarHBondContact O-CB 3.45Å
74S98Very high98Very high17 Ų1749.4 Ų49.412%0.11927%0.266CS..  trans-144.2110.4-178.5-71.30000109.7V72 A76 P110V72-S74 PolarHBondContact O-N 2.83Å; S74-A76 PolarHBondContact O-N 3.35Å; S74-P110 VanDerWaalsContact CB-O 3.3Å; S74-P110 WeakPolarHBondContact CB-O 3.47Å; S74-P110 PolarHBondContact OG-O 3.18Å
75P98.6Very high98Very high7 Ų744 Ų445%0.04524%0.244CC..SBendtrans-82-2.8176.531.8-33.7000113.2L68 D69 V72 V107 L143 K144L68-P75 HydrophobicContact CB-CB 3.9Å; L68-P75 HydrophobicContact CB-CG 3.95Å; L68-P75 HydrophobicContact CD1-CB 4.26Å; L68-P75 HydrophobicContact CD1-CG 4Å; D69-P75 HydrophobicContact CB-CB 4.28Å; D69-P75 WeakPolarHBondContact O-CB 3.21Å; V72-P75 HydrophobicContact CG2-CB 4.11Å; P75-V107 HydrophobicContact CG-CG1 3.99Å; P75-L143 CarbonylContact O-C 3.45Å; P75-K144 HydrophobicContact CB-CB 4.46Å; P75-K144 PolarHBondContact O-N 3.41Å
76A98.8Very high98Very high3 Ų345.5 Ų45.53%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-128.3131-179.600000110S74 L102 L111 E112 L141 I142 L143S74-A76 PolarHBondContact O-N 3.35Å; A76-L102 HydrophobicContact CB-CD1 3.65Å; A76-L102 HydrophobicContact CB-CD2 4.16Å; A76-L111 HydrophobicContact CB-CD2 3.75Å; A76-E112 PolarHBondContact O-N 2.69Å; A76-L141 HydrophobicContact CB-CD1 4.27Å; A76-I142 CarbonylContact C-O 3.35Å; A76-I142 VanDerWaalsContact CA-O 3.23Å; A76-I142 WeakPolarHBondContact CA-O 3.46Å; A76-L143 HydrophobicContact CB-CD2 4.1Å
77A98.9Very high98Very high0 Ų053.8 Ų53.80%028%0.283CS..EExtended strand (participates in β ladder)trans-132.3138.4-175.700000111.9E112 V114 L141 I142A77-E112 CarbonylContact C-O 3.54Å; A77-E112 WeakPolarHBondContact CA-O 3.2Å; A77-E112 HydrophobicContact CB-CB 3.79Å; A77-E112 HydrophobicContact CB-CG 4.35Å; A77-V114 HydrophobicContact CB-CG2 3.88Å; A77-L141 CarbonylContact O-C 3.57Å; A77-L141 WeakPolarHBondContact O-CA 3.3Å; A77-I142 HydrophobicContact CB-CB 4.29Å; A77-I142 PolarHBondContact N-O 3.32Å; A77-I142 PolarHBondContact O-N 3.12Å
78V98.9Very high97.9Very high0 Ų060.6 Ų60.60%031%0.305CS..EExtended strand (participates in β ladder)trans-115.7158.7173.8-65.30000110.2W95 F98 L111 E112 K113 V114 L141V78-W95 HydrophobicContact CG2-CD2 3.92Å; V78-W95 HydrophobicContact CG2-CE3 4.34Å; V78-W95 HydrophobicContact CG2-CG 4.35Å; V78-W95 HydrophobicContact CG2-CH2 4.44Å; V78-W95 HydrophobicContact CG2-CZ2 4.03Å; V78-F98 HydrophobicContact CG1-CD2 4.14Å; V78-L111 HydrophobicContact CG1-CD1 3.88Å; V78-L111 HydrophobicContact CG1-CD2 4.35Å; V78-L111 HydrophobicContact CG2-CB 4.25Å; V78-L111 HydrophobicContact CG2-CD1 4.4Å; V78-E112 PolarHBondContact N-O 3.42Å; V78-K113 HydrophobicContact CG2-CG 4.42Å; V78-V114 PolarHBondContact O-N 2.87Å; V78-L141 HydrophobicContact CG1-CD1 3.72Å
79M98.8Very high97.8Very high14 Ų1462.8 Ų62.87%0.06933%0.332CS..EExtended strand (participates in β ladder)trans-71.5129.3173.2-172.1-179.2-6500110F35 W95 V114 R116 F119 Y120 Y138F35-M79 HydrophobicContact CE2-CE 4.45Å; M79-W95 WeakPolarHBondContact O-CZ2 3.4Å; M79-V114 CarbonylContact C-O 3.57Å; M79-R116 HydrophobicContact CE-CG 4.37Å; M79-R116 HydrophobicContact CG-CB 4.25Å; M79-R116 HydrophobicContact SD-CB 4.05Å; M79-R116 HydrophobicContact SD-CG 3.75Å; M79-F119 HydrophobicContact CB-CB 4.48Å; M79-F119 HydrophobicContact CB-CD2 3.91Å; M79-F119 HydrophobicContact CB-CE2 4.25Å; M79-F119 HydrophobicContact CB-CG 4.06Å; M79-F119 HydrophobicContact CE-CB 4.16Å; M79-F119 HydrophobicContact CE-CD1 3.6Å; M79-F119 HydrophobicContact CE-CE1 4.2Å; M79-F119 HydrophobicContact CE-CG 3.96Å; M79-F119 HydrophobicContact CG-CB 4.3Å; M79-F119 HydrophobicContact CG-CG 4.36Å; M79-Y120 HydrophobicContact CE-CD1 4.16Å; M79-Y120 HydrophobicContact CE-CE1 3.56Å; M79-Y138 HydrophobicContact CB-CD1 4.23Å; M79-Y138 HydrophobicContact CG-CD1 4.22Å; M79-Y138 HydrophobicContact CG-CE1 4.44Å; M79-Y138 HydrophobicContact SD-CD1 4.4Å; M79-Y138 HydrophobicContact SD-CE1 4.43Å
80E98.6Very high97.8Very high56 Ų5664.9 Ų64.926%0.26234%0.343SS..PPolyproline II helixtrans-71.5144.6176-162.7-179.4-161.400111.4V82 K86 K113 V114 Y138E80-V82 PolarHBondContact O-N 2.89Å; E80-K86 VanDerWaalsContact OE1-CE 3.26Å; E80-K86 WeakPolarHBondContact OE1-CE 3.34Å; E80-K86 IonicContact OE1-NZ 2.71Å; E80-K86 PolarHBondContact OE1-NZ 3.33Å; E80-K86 IonicContact OE2-NZ 3.57Å; E80-K86 PolarHBondContact OE2-NZ 3.04Å; E80-K86 VanDerWaalsContact OE2-NZ 3.08Å; E80-K113 HydrophobicContact CB-CB 4.09Å; E80-K113 HydrophobicContact CG-CB 4.06Å; E80-K113 HydrophobicContact CG-CD 4.47Å; E80-V114 WeakPolarHBondContact CB-O 3.26Å; E80-V114 PolarHBondContact N-O 2.78Å; E80-Y138 WeakPolarHBondContact O-CE1 3.49Å
81L98.2Very high97.8Very high24 Ų2463.2 Ų63.213%0.12634%0.34CS..PPolyproline II helixtrans-54.1132.9169.2-71.2153.9000111.1D85 K86 L90 T92 W95 Y138L81-D85 HydrophobicContact CB-CB 4.45Å; L81-D85 HydrophobicContact CD2-CB 3.72Å; L81-K86 HydrophobicContact CB-CD 4.49Å; L81-K86 HydrophobicContact CB-CG 3.64Å; L81-K86 WeakPolarHBondContact O-CE 3.5Å; L81-K86 PolarHBondContact O-NZ 3.18Å; L81-L90 HydrophobicContact CD2-CB 4.03Å; L81-L90 HydrophobicContact CD2-CD2 3.82Å; L81-L90 HydrophobicContact CD2-CG 4.22Å; L81-T92 HydrophobicContact CD1-CG2 4.21Å; L81-T92 HydrophobicContact CD2-CG2 3.97Å; L81-T92 HydrophobicContact CG-CG2 4.17Å; L81-W95 HydrophobicContact CD1-CH2 4.18Å; L81-W95 HydrophobicContact CG-CH2 4.09Å; L81-Y138 HydrophobicContact CD2-CD2 3.92Å; L81-Y138 HydrophobicContact CD2-CE1 4.45Å; L81-Y138 HydrophobicContact CD2-CE2 3.59Å; L81-Y138 HydrophobicContact CD2-CG 4.5Å
82V98.1Very high97.9Very high41 Ų4156 Ų5625%0.24831%0.314CS..PPolyproline II helixtrans-68.3159.1168.5-58.10000110.7E80 S84 D85 K86 R116 Y138E80-V82 PolarHBondContact O-N 2.89Å; V82-S84 VanDerWaalsContact C-N 3.26Å; V82-S84 WeakPolarHBondContact CG2-OG 3.49Å; V82-S84 PolarHBondContact O-N 3.37Å; V82-S84 VanDerWaalsContact O-N 3.15Å; V82-D85 HydrophobicContact CG2-CB 4.07Å; V82-D85 WeakPolarHBondContact O-CA 3.49Å; V82-D85 PolarHBondContact O-N 2.9Å; V82-K86 PolarHBondContact O-N 2.81Å; V82-R116 HydrophobicContact CG1-CB 4.44Å; V82-Y138 PolarHBondContact N-OH 3.44Å
83D97.8Very high97.9Very high108 Ų10857.8 Ų57.858%0.57833%0.327SS*.Hα-helixtrans-55.7-37.4-174.7-74.2-12.9000114.2D85 K86 K87D83-D85 VanDerWaalsContact C-N 3.26Å; D83-D85 PolarHBondContact O-N 3.43Å; D83-K86 PolarHBondContact O-N 3.13Å; D83-K87 WeakPolarHBondContact O-CB 3.47Å; D83-K87 WeakPolarHBondContact O-CG 3.44Å; D83-K87 PolarHBondContact O-N 3.49Å
84S97.6Very high97.9Very high62 Ų6252.1 Ų52.143%0.43429%0.29SS..Hα-helixtrans-66.2-30.2177.356.70000113V82 R88V82-S84 VanDerWaalsContact C-N 3.26Å; V82-S84 WeakPolarHBondContact CG2-OG 3.49Å; V82-S84 PolarHBondContact O-N 3.37Å; V82-S84 VanDerWaalsContact O-N 3.15Å; S84-R88 WeakPolarHBondContact O-CG 3.26Å; S84-R88 PolarHBondContact O-N 2.86Å; S84-R88 PolarHBondContact O-NE 3.25Å; S84-R88 VanDerWaalsContact O-NE 3.12Å
85D97.8Very high98Very high22 Ų2251.7 Ų51.712%0.11829%0.286CS..Hα-helixtrans-84.7-33.7179.5-70.2-14.3000111.4L81 V82 D83 R88 G89 L90 Y138L81-D85 HydrophobicContact CB-CB 4.45Å; L81-D85 HydrophobicContact CD2-CB 3.72Å; V82-D85 HydrophobicContact CG2-CB 4.07Å; V82-D85 WeakPolarHBondContact O-CA 3.49Å; V82-D85 PolarHBondContact O-N 2.9Å; D83-D85 VanDerWaalsContact C-N 3.26Å; D83-D85 PolarHBondContact O-N 3.43Å; D85-R88 VanDerWaalsContact O-CG 3.28Å; D85-R88 WeakPolarHBondContact O-CG 3.43Å; D85-R88 IonicContact OD1-CZ 3.46Å; D85-R88 VanDerWaalsContact OD1-CZ 3.29Å; D85-R88 IonicContact OD1-NE 3.08Å; D85-R88 PolarHBondContact OD1-NE 2.84Å; D85-R88 IonicContact OD1-NH1 2.7Å; D85-R88 IonicContact OD1-NH2 2.8Å; D85-G89 PolarHBondContact O-N 3.22Å; D85-L90 HydrophobicContact CB-CB 4.09Å; D85-L90 HydrophobicContact CB-CD2 3.93Å; D85-L90 WeakPolarHBondContact O-CB 3.42Å; D85-L90 PolarHBondContact O-N 3.33Å; D85-Y138 PolarHBondContact OD2-OH 2.75Å
86K97.3Very high98Very high88 Ų8855.2 Ų55.238%0.38330%0.304SS..Hα-helixtrans-59.5-49.5166.7-69.7173.6169.8164.50111.1E80 L81 V82 D83 R88 G89E80-K86 VanDerWaalsContact OE1-CE 3.26Å; E80-K86 WeakPolarHBondContact OE1-CE 3.34Å; E80-K86 IonicContact OE1-NZ 2.71Å; E80-K86 PolarHBondContact OE1-NZ 3.33Å; E80-K86 IonicContact OE2-NZ 3.57Å; E80-K86 PolarHBondContact OE2-NZ 3.04Å; E80-K86 VanDerWaalsContact OE2-NZ 3.08Å; L81-K86 HydrophobicContact CB-CD 4.49Å; L81-K86 HydrophobicContact CB-CG 3.64Å; L81-K86 WeakPolarHBondContact O-CE 3.5Å; L81-K86 PolarHBondContact O-NZ 3.18Å; V82-K86 PolarHBondContact O-N 2.81Å; D83-K86 PolarHBondContact O-N 3.13Å; K86-R88 VanDerWaalsContact C-N 3.33Å; K86-R88 PolarHBondContact O-N 3.14Å; K86-G89 PolarHBondContact O-N 2.96Å
87K97.4Very high97.9Very high180 Ų18058.6 Ų58.678%0.78332%0.321SS*.Hα-helixtrans-62.5-35.1-178.3-76.6172.1-175.2176.10113.6D83 G89D83-K87 WeakPolarHBondContact O-CB 3.47Å; D83-K87 WeakPolarHBondContact O-CG 3.44Å; D83-K87 PolarHBondContact O-N 3.49Å; K87-G89 VanDerWaalsContact C-N 3.28Å
88R96.8Very high97.9Very high175 Ų17558.6 Ų58.666%0.6632%0.321SS*.THydrogen-bonded Turntrans-82.5-2.617673.1-176.862-172.8-1.9113.6S84 D85 K86 L90S84-R88 WeakPolarHBondContact O-CG 3.26Å; S84-R88 PolarHBondContact O-N 2.86Å; S84-R88 PolarHBondContact O-NE 3.25Å; S84-R88 VanDerWaalsContact O-NE 3.12Å; D85-R88 VanDerWaalsContact O-CG 3.28Å; D85-R88 WeakPolarHBondContact O-CG 3.43Å; D85-R88 IonicContact OD1-CZ 3.46Å; D85-R88 VanDerWaalsContact OD1-CZ 3.29Å; D85-R88 IonicContact OD1-NE 3.08Å; D85-R88 PolarHBondContact OD1-NE 2.84Å; D85-R88 IonicContact OD1-NH1 2.7Å; D85-R88 IonicContact OD1-NH2 2.8Å; K86-R88 VanDerWaalsContact C-N 3.33Å; K86-R88 PolarHBondContact O-N 3.14Å; R88-L90 HydrophobicContact CG-CB 4.11Å
89G96.8Very high97.9Very high63 Ų6363 Ų6365%0.64934%0.338SS*.THydrogen-bonded Turntrans66.238.3-177.600000113.5D85 K86 K87 A91D85-G89 PolarHBondContact O-N 3.22Å; K86-G89 PolarHBondContact O-N 2.96Å; K87-G89 VanDerWaalsContact C-N 3.28Å; G89-A91 PolarHBondContact O-N 3.01Å
90L97.4Very high97.9Very high51 Ų5167.9 Ų67.927%0.26736%0.36SS..  trans-61.5125178.7-17767.9000110.2L81 D85 R88 L137 Y138L81-L90 HydrophobicContact CD2-CB 4.03Å; L81-L90 HydrophobicContact CD2-CD2 3.82Å; L81-L90 HydrophobicContact CD2-CG 4.22Å; D85-L90 HydrophobicContact CB-CB 4.09Å; D85-L90 HydrophobicContact CB-CD2 3.93Å; D85-L90 WeakPolarHBondContact O-CB 3.42Å; D85-L90 PolarHBondContact O-N 3.33Å; R88-L90 HydrophobicContact CG-CB 4.11Å; L90-L137 HydrophobicContact CD2-CD1 4.21Å; L90-Y138 HydrophobicContact CD2-CD2 4.19Å; L90-Y138 HydrophobicContact CD2-CE2 3.73Å
91A96.8Very high97.9Very high78 Ų7868 Ų6865%0.64536%0.36SS*.  trans-81.6146.3176.100000111.6G89 P93G89-A91 PolarHBondContact O-N 3.01Å; A91-P93 VanDerWaalsContact C-CD 3.45Å; A91-P93 WeakPolarHBondContact O-CD 3.43Å
92T97.8Very high97.9Very high20 Ų2067 Ų6712%0.12335%0.354CS..  trans-124.866.7178.355.10000110.5L81 V94 W95 Y138L81-T92 HydrophobicContact CD1-CG2 4.21Å; L81-T92 HydrophobicContact CD2-CG2 3.97Å; L81-T92 HydrophobicContact CG-CG2 4.17Å; T92-V94 PolarHBondContact O-N 3.1Å; T92-W95 HydrophobicContact CG2-CD2 4.19Å; T92-W95 HydrophobicContact CG2-CE3 4.48Å; T92-W95 HydrophobicContact CG2-CH2 4.09Å; T92-W95 HydrophobicContact CG2-CZ2 3.76Å; T92-W95 HydrophobicContact CG2-CZ3 4.44Å; T92-W95 WeakPolarHBondContact O-CB 3.3Å; T92-W95 PolarHBondContact O-N 2.77Å; T92-Y138 HydrophobicContact CG2-CD2 4.35Å; T92-Y138 HydrophobicContact CG2-CG 4.48Å
93P97.9Very high97.9Very high81 Ų8166.9 Ų66.953%0.52636%0.358SS..Hα-helixtrans-61.1-26.3-175.825.1-34.8000113A91 W95 D96 I97A91-P93 VanDerWaalsContact C-CD 3.45Å; A91-P93 WeakPolarHBondContact O-CD 3.43Å; P93-W95 PolarHBondContact O-N 3.29Å; P93-D96 WeakPolarHBondContact O-CB 3.33Å; P93-D96 PolarHBondContact O-N 2.76Å; P93-D96 VanDerWaalsContact O-N 3.07Å; P93-I97 PolarHBondContact O-N 3.43Å
94V98.4Very high97.9Very high4 Ų469.3 Ų69.32%0.02437%0.365CS..Hα-helixtrans-58.9-30.2174.769.90000112.4T92 D96 I97 F98 A136T92-V94 PolarHBondContact O-N 3.1Å; V94-D96 PolarHBondContact O-N 2.88Å; V94-I97 WeakPolarHBondContact O-CB 3.21Å; V94-I97 PolarHBondContact O-N 3.17Å; V94-F98 HydrophobicContact CG2-CD1 4.45Å; V94-F98 HydrophobicContact CG2-CD2 4.46Å; V94-F98 HydrophobicContact CG2-CE1 3.82Å; V94-F98 HydrophobicContact CG2-CE2 3.84Å; V94-F98 HydrophobicContact CG2-CZ 3.48Å; V94-F98 VanDerWaalsContact CG2-CZ 3.48Å; V94-F98 WeakPolarHBondContact O-CG 3.23Å; V94-F98 PolarHBondContact O-N 2.85Å; V94-A136 HydrophobicContact CB-CB 3.77Å; V94-A136 HydrophobicContact CG1-CB 4Å; V94-A136 HydrophobicContact CG2-CB 4.06Å
95W98.6Very high97.8Very high9 Ų968.7 Ų68.73%0.03436%0.364CS..Hα-helixtrans-69.1-33.5176.2-61.4-3.5000112.7V78 M79 L81 T92 P93 I97 F98 R99 L111 K113 Y138V78-W95 HydrophobicContact CG2-CD2 3.92Å; V78-W95 HydrophobicContact CG2-CE3 4.34Å; V78-W95 HydrophobicContact CG2-CG 4.35Å; V78-W95 HydrophobicContact CG2-CH2 4.44Å; V78-W95 HydrophobicContact CG2-CZ2 4.03Å; M79-W95 WeakPolarHBondContact O-CZ2 3.4Å; L81-W95 HydrophobicContact CD1-CH2 4.18Å; L81-W95 HydrophobicContact CG-CH2 4.09Å; T92-W95 HydrophobicContact CG2-CD2 4.19Å; T92-W95 HydrophobicContact CG2-CE3 4.48Å; T92-W95 HydrophobicContact CG2-CH2 4.09Å; T92-W95 HydrophobicContact CG2-CZ2 3.76Å; T92-W95 HydrophobicContact CG2-CZ3 4.44Å; T92-W95 WeakPolarHBondContact O-CB 3.3Å; T92-W95 PolarHBondContact O-N 2.77Å; P93-W95 PolarHBondContact O-N 3.29Å; W95-I97 VanDerWaalsContact C-N 3.34Å; W95-F98 PolarHBondContact O-N 3.05Å; W95-R99 WeakPolarHBondContact O-CB 3.41Å; W95-R99 WeakPolarHBondContact O-CG 3.33Å; W95-R99 PolarHBondContact O-N 2.86Å; W95-L111 HydrophobicContact CB-CD1 4.04Å; W95-K113 HydrophobicContact CZ3-CD 4.28Å; W95-Y138 HydrophobicContact CZ2-CG 4.41Å; W95-Y138 PolarHBondContact NE1-O 3.29Å
96D98.4Very high97.7Very high81 Ų8170.3 Ų70.343%0.43339%0.386SS..Hα-helixtrans-65.3-41.5173.1-73.2-63000110.8P93 V94 R99 Q100P93-D96 WeakPolarHBondContact O-CB 3.33Å; P93-D96 PolarHBondContact O-N 2.76Å; P93-D96 VanDerWaalsContact O-N 3.07Å; V94-D96 PolarHBondContact O-N 2.88Å; D96-R99 PolarHBondContact O-N 2.94Å; D96-R99 IonicContact OD1-CZ 3.42Å; D96-R99 IonicContact OD1-NE 3.27Å; D96-R99 IonicContact OD1-NH2 3.76Å; D96-R99 PolarHBondContact OD1-NH2 2.82Å; D96-R99 IonicContact OD2-NH2 3.29Å; D96-R99 PolarHBondContact OD2-NH2 2.83Å; D96-Q100 VanDerWaalsContact O-CG 3.31Å; D96-Q100 WeakPolarHBondContact O-CG 3.47Å; D96-Q100 PolarHBondContact O-N 3.16Å
97I98.5Very high97.6Very high73 Ų7367.5 Ų67.537%0.37438%0.376SS..Hα-helixtrans-62-47.4176.3-59.6172.5000109.9A56 P93 V94 W95 R99 Q100 K101A56-I97 HydrophobicContact CB-CG2 3.51Å; P93-I97 PolarHBondContact O-N 3.43Å; V94-I97 WeakPolarHBondContact O-CB 3.21Å; V94-I97 PolarHBondContact O-N 3.17Å; W95-I97 VanDerWaalsContact C-N 3.34Å; I97-R99 PolarHBondContact O-N 3.11Å; I97-Q100 WeakPolarHBondContact O-CB 3.26Å; I97-Q100 PolarHBondContact O-N 3.25Å; I97-K101 HydrophobicContact CG2-CG 4.49Å; I97-K101 WeakPolarHBondContact O-CG 3.5Å; I97-K101 PolarHBondContact O-N 3.48Å
98F98.7Very high97.3Very high0 Ų066.3 Ų66.30%037%0.373CS..Hα-helixtrans-59.4-45.8175.9-64.3-22.1000112.3A55 A56 L59 V78 V94 W95 Q100 K101 L102 L111 G139 L141A55-F98 HydrophobicContact CB-CE1 3.94Å; A55-F98 HydrophobicContact CB-CZ 3.83Å; A56-F98 HydrophobicContact CB-CD1 4.44Å; A56-F98 HydrophobicContact CB-CE1 4.22Å; L59-F98 HydrophobicContact CD2-CB 4.18Å; L59-F98 HydrophobicContact CD2-CD1 3.77Å; L59-F98 HydrophobicContact CD2-CG 4.25Å; V78-F98 HydrophobicContact CG1-CD2 4.14Å; V94-F98 HydrophobicContact CG2-CD1 4.45Å; V94-F98 HydrophobicContact CG2-CD2 4.46Å; V94-F98 HydrophobicContact CG2-CE1 3.82Å; V94-F98 HydrophobicContact CG2-CE2 3.84Å; V94-F98 HydrophobicContact CG2-CZ 3.48Å; V94-F98 VanDerWaalsContact CG2-CZ 3.48Å; V94-F98 WeakPolarHBondContact O-CG 3.23Å; V94-F98 PolarHBondContact O-N 2.85Å; W95-F98 PolarHBondContact O-N 3.05Å; F98-Q100 VanDerWaalsContact C-N 3.3Å; F98-Q100 PolarHBondContact O-N 3.33Å; F98-K101 PolarHBondContact O-N 2.81Å; F98-L102 WeakPolarHBondContact O-CB 3.34Å; F98-L102 VanDerWaalsContact O-CG 3.3Å; F98-L102 WeakPolarHBondContact O-CG 3.44Å; F98-L102 PolarHBondContact O-N 2.9Å; F98-L111 HydrophobicContact CB-CD1 4.28Å; F98-G139 WeakPolarHBondContact CZ-O 3.06Å; F98-L141 HydrophobicContact CD1-CD2 4.42Å; F98-L141 HydrophobicContact CD2-CB 4.3Å; F98-L141 HydrophobicContact CD2-CD1 4.11Å; F98-L141 HydrophobicContact CD2-CD2 4.27Å; F98-L141 HydrophobicContact CD2-CG 4.48Å; F98-L141 HydrophobicContact CE2-CB 4Å; F98-L141 HydrophobicContact CG-CD2 4.19Å; F98-L141 HydrophobicContact CZ-CB 4.41Å
99R98.5Very high97.2Very high94 Ų9459.6 Ų59.636%0.35536%0.355SS..Hα-helixtrans-56.5-44.7174.5-79.6-171.8-71-85.29.4111.8W95 D96 I97 L102 A103 L111W95-R99 WeakPolarHBondContact O-CB 3.41Å; W95-R99 WeakPolarHBondContact O-CG 3.33Å; W95-R99 PolarHBondContact O-N 2.86Å; D96-R99 PolarHBondContact O-N 2.94Å; D96-R99 IonicContact OD1-CZ 3.42Å; D96-R99 IonicContact OD1-NE 3.27Å; D96-R99 IonicContact OD1-NH2 3.76Å; D96-R99 PolarHBondContact OD1-NH2 2.82Å; D96-R99 IonicContact OD2-NH2 3.29Å; D96-R99 PolarHBondContact OD2-NH2 2.83Å; I97-R99 PolarHBondContact O-N 3.11Å; R99-L102 PolarHBondContact O-N 3.03Å; R99-A103 WeakPolarHBondContact O-CB 3.45Å; R99-A103 PolarHBondContact O-N 2.88Å; R99-L111 HydrophobicContact CG-CD1 3.85Å; R99-L111 HydrophobicContact CG-CG 3.97Å
100Q98.3Very high97.2Very high115 Ų11560.9 Ų60.954%0.53735%0.352SS..Hα-helixtrans-61.8-48.4177.3-73.61754.900111.2D96 I97 F98 L102 A103 H104D96-Q100 VanDerWaalsContact O-CG 3.31Å; D96-Q100 WeakPolarHBondContact O-CG 3.47Å; D96-Q100 PolarHBondContact O-N 3.16Å; I97-Q100 WeakPolarHBondContact O-CB 3.26Å; I97-Q100 PolarHBondContact O-N 3.25Å; F98-Q100 VanDerWaalsContact C-N 3.3Å; F98-Q100 PolarHBondContact O-N 3.33Å; Q100-L102 VanDerWaalsContact C-N 3.34Å; Q100-L102 PolarHBondContact O-N 3.32Å; Q100-A103 PolarHBondContact O-N 3.27Å; Q100-H104 PolarHBondContact O-N 3.46Å; Q100-H104 PolarHBondContact O-ND1 3.49Å
101K98.4Very high97.3Very high59 Ų5959.2 Ų59.226%0.25734%0.343SS..Hα-helixtrans-61.4-41.7179.2-63.1-56-176.6176.70112.1L59 E60 I97 F98 H104 A105L59-K101 HydrophobicContact CD2-CB 3.79Å; L59-K101 HydrophobicContact CD2-CG 4.39Å; L59-K101 HydrophobicContact CG-CB 4.21Å; E60-K101 HydrophobicContact CB-CD 4.17Å; E60-K101 HydrophobicContact CG-CD 4.44Å; E60-K101 WeakPolarHBondContact OE2-CE 3.39Å; E60-K101 IonicContact OE2-NZ 3.21Å; E60-K101 PolarHBondContact OE2-NZ 3.46Å; I97-K101 HydrophobicContact CG2-CG 4.49Å; I97-K101 WeakPolarHBondContact O-CG 3.5Å; I97-K101 PolarHBondContact O-N 3.48Å; F98-K101 PolarHBondContact O-N 2.81Å; K101-H104 PolarHBondContact O-N 3.23Å; K101-A105 PolarHBondContact O-N 3.46Å
102L98.4Very high97.4Very high3 Ų359 Ų592%0.01633%0.329CS..Hα-helixtrans-61.9-46.2174.9-72.4165.3000111.8L63 L68 A76 F98 R99 Q100 H104 A105 G106 V107 L111 L143L63-L102 HydrophobicContact CD1-CD2 4.05Å; L63-L102 HydrophobicContact CD2-CD2 4.2Å; L68-L102 HydrophobicContact CD1-CD2 3.51Å; A76-L102 HydrophobicContact CB-CD1 3.65Å; A76-L102 HydrophobicContact CB-CD2 4.16Å; F98-L102 WeakPolarHBondContact O-CB 3.34Å; F98-L102 VanDerWaalsContact O-CG 3.3Å; F98-L102 WeakPolarHBondContact O-CG 3.44Å; F98-L102 PolarHBondContact O-N 2.9Å; R99-L102 PolarHBondContact O-N 3.03Å; Q100-L102 VanDerWaalsContact C-N 3.34Å; Q100-L102 PolarHBondContact O-N 3.32Å; L102-H104 PolarHBondContact O-N 3.38Å; L102-A105 CarbonylContact O-C 3.54Å; L102-A105 WeakPolarHBondContact O-CA 3.44Å; L102-A105 WeakPolarHBondContact O-CB 3.48Å; L102-A105 PolarHBondContact O-N 2.93Å; L102-G106 PolarHBondContact O-N 3.27Å; L102-V107 CarbonylContact C-O 3.43Å; L102-V107 HydrophobicContact CB-CB 4.17Å; L102-V107 HydrophobicContact CD2-CB 4.42Å; L102-V107 HydrophobicContact CD2-CG1 4.43Å; L102-V107 WeakPolarHBondContact O-CB 3.42Å; L102-V107 PolarHBondContact O-N 3.29Å; L102-L111 HydrophobicContact CD1-CD2 3.53Å; L102-L143 HydrophobicContact CD2-CD2 4.4Å
103A97.9Very high97.4Very high38 Ų3863.8 Ų63.831%0.31435%0.348SS..Hα-helixtrans-62.6-40.7178.500000112.4R99 Q100 A105 G106 V107R99-A103 WeakPolarHBondContact O-CB 3.45Å; R99-A103 PolarHBondContact O-N 2.88Å; Q100-A103 PolarHBondContact O-N 3.27Å; A103-A105 PolarHBondContact O-N 3.19Å; A103-G106 PolarHBondContact O-N 2.95Å; A103-V107 WeakPolarHBondContact CA-O 3.3Å; A103-V107 PolarHBondContact N-O 3.49Å
104H97.1Very high97.4Very high159 Ų15960.6 Ų60.674%0.73633%0.327SS*.Hα-helixtrans-63.3-27.5173.9-71.2104.5000112.7Q100 K101 L102 G106Q100-H104 PolarHBondContact O-N 3.46Å; Q100-H104 PolarHBondContact O-ND1 3.49Å; K101-H104 PolarHBondContact O-N 3.23Å; L102-H104 PolarHBondContact O-N 3.38Å; H104-G106 VanDerWaalsContact C-N 3.25Å; H104-G106 PolarHBondContact O-N 2.93Å
105A95.9Very high97.4Very high49 Ų4964.7 Ų64.741%0.40535%0.346SS..THydrogen-bonded Turntrans-85.49.3172.700000113.5L63 K101 L102 A103L63-A105 HydrophobicContact CB-CB 3.9Å; L63-A105 HydrophobicContact CD1-CB 3.82Å; L63-A105 HydrophobicContact CG-CB 4.3Å; K101-A105 PolarHBondContact O-N 3.46Å; L102-A105 CarbonylContact O-C 3.54Å; L102-A105 WeakPolarHBondContact O-CA 3.44Å; L102-A105 WeakPolarHBondContact O-CB 3.48Å; L102-A105 PolarHBondContact O-N 2.93Å; A103-A105 PolarHBondContact O-N 3.19Å
106G95.4Very high97.4Very high57 Ų5769.3 Ų69.359%0.58836%0.363SS*.THydrogen-bonded Turntrans84.65.7178.700000114.9L102 A103 H104L102-G106 PolarHBondContact O-N 3.27Å; A103-G106 PolarHBondContact O-N 2.95Å; H104-G106 VanDerWaalsContact C-N 3.25Å; H104-G106 PolarHBondContact O-N 2.93Å
107V95.1Very high97.4Very high28 Ų2871.8 Ų71.817%0.1737%0.37CS..  trans-94.2105.6-178.5-177.80000109.5L68 P75 L102 A103 A109L68-V107 HydrophobicContact CB-CG2 4.24Å; L68-V107 HydrophobicContact CD1-CG1 4.31Å; L68-V107 HydrophobicContact CD1-CG2 3.93Å; L68-V107 HydrophobicContact CG-CG2 4.29Å; P75-V107 HydrophobicContact CG-CG1 3.99Å; L102-V107 CarbonylContact C-O 3.43Å; L102-V107 HydrophobicContact CB-CB 4.17Å; L102-V107 HydrophobicContact CD2-CB 4.42Å; L102-V107 HydrophobicContact CD2-CG1 4.43Å; L102-V107 WeakPolarHBondContact O-CB 3.42Å; L102-V107 PolarHBondContact O-N 3.29Å; A103-V107 WeakPolarHBondContact CA-O 3.3Å; A103-V107 PolarHBondContact N-O 3.49Å; V107-A109 HydrophobicContact CG1-CB 4.26Å
108Q92.6Very high97.4Very high156 Ų15670.5 Ų70.573%0.72937%0.371SS*.  trans-93.3-4.2-179.1-58.6-60.1-33.800113.6
109A94.9Very high97.5Very high34 Ų3470.5 Ų70.528%0.28137%0.371SS..PPolyproline II helixtrans-64.4142.2179.100000111.4P73 V107P73-A109 WeakPolarHBondContact O-CB 3.45Å; V107-A109 HydrophobicContact CG1-CB 4.26Å
110P96.4Very high97.5Very high89 Ų8967.9 Ų67.958%0.57836%0.361SS*.PPolyproline II helixtrans-66.7156.3174.530.1-34.6000110.7S74 E112S74-P110 VanDerWaalsContact CB-O 3.3Å; S74-P110 WeakPolarHBondContact CB-O 3.47Å; S74-P110 PolarHBondContact OG-O 3.18Å; P110-E112 PolarHBondContact O-N 3.43Å
111L98.5Very high97.5Very high16 Ų1666.9 Ų66.98%0.08436%0.357CS..PPolyproline II helixtrans-66.8125.4167.6-67.8174.8000109.4A76 V78 W95 F98 R99 L102 L141A76-L111 HydrophobicContact CB-CD2 3.75Å; V78-L111 HydrophobicContact CG1-CD1 3.88Å; V78-L111 HydrophobicContact CG1-CD2 4.35Å; V78-L111 HydrophobicContact CG2-CB 4.25Å; V78-L111 HydrophobicContact CG2-CD1 4.4Å; W95-L111 HydrophobicContact CB-CD1 4.04Å; F98-L111 HydrophobicContact CB-CD1 4.28Å; R99-L111 HydrophobicContact CG-CD1 3.85Å; R99-L111 HydrophobicContact CG-CG 3.97Å; L102-L111 HydrophobicContact CD1-CD2 3.53Å; L111-L141 HydrophobicContact CD2-CD1 3.91Å
112E98.8Very high97.5Very high74 Ų7466.3 Ų66.335%0.34635%0.353SS..EExtended strand (participates in β ladder)trans-65.6134.9166.6-175.4-172.6174.300108.9A76 A77 V78 P110 V114 R122A76-E112 PolarHBondContact O-N 2.69Å; A77-E112 CarbonylContact C-O 3.54Å; A77-E112 WeakPolarHBondContact CA-O 3.2Å; A77-E112 HydrophobicContact CB-CB 3.79Å; A77-E112 HydrophobicContact CB-CG 4.35Å; V78-E112 PolarHBondContact N-O 3.42Å; P110-E112 PolarHBondContact O-N 3.43Å; E112-V114 HydrophobicContact CG-CG2 3.87Å; E112-R122 IonicContact OE1-NH1 3.63Å; E112-R122 IonicContact OE2-CZ 3.37Å; E112-R122 IonicContact OE2-NH1 2.68Å; E112-R122 PolarHBondContact OE2-NH1 3.17Å; E112-R122 IonicContact OE2-NH2 3.79Å
113K98.6Very high97.5Very high121 Ų12166.2 Ų66.253%0.52635%0.352SS..EExtended strand (participates in β ladder)trans-102.4116.7172.9-64.4178.2-174.8175.70108.2V78 E80 W95V78-K113 HydrophobicContact CG2-CG 4.42Å; E80-K113 HydrophobicContact CB-CB 4.09Å; E80-K113 HydrophobicContact CG-CB 4.06Å; E80-K113 HydrophobicContact CG-CD 4.47Å; W95-K113 HydrophobicContact CZ3-CD 4.28Å
114V98.8Very high97.5Very high14 Ų1467.7 Ų67.79%0.08535%0.351CS..EExtended strand (participates in β ladder)trans-110.8129-175.6-173.80000109.2A77 V78 M79 E80 E112 A118 F119A77-V114 HydrophobicContact CB-CG2 3.88Å; V78-V114 PolarHBondContact O-N 2.87Å; M79-V114 CarbonylContact C-O 3.57Å; E80-V114 WeakPolarHBondContact CB-O 3.26Å; E80-V114 PolarHBondContact N-O 2.78Å; E112-V114 HydrophobicContact CG-CG2 3.87Å; V114-A118 HydrophobicContact CG1-CB 3.73Å; V114-F119 HydrophobicContact CB-CB 4.27Å; V114-F119 HydrophobicContact CB-CD2 4.16Å; V114-F119 HydrophobicContact CG1-CB 4.06Å
115E98.7Very high97.6Very high90 Ų9068.3 Ų68.342%0.42135%0.352SS..  trans-50.4142.8174.1-172-72.9130.800110.7F117 A118 F119E115-F117 VanDerWaalsContact CD-N 3.28Å; E115-F117 PolarHBondContact O-N 3.28Å; E115-F117 WeakPolarHBondContact OE1-CD2 3.42Å; E115-F117 PolarHBondContact OE1-N 2.89Å; E115-F117 VanDerWaalsContact OE1-N 3.12Å; E115-F117 WeakPolarHBondContact OE2-CA 3.31Å; E115-F117 WeakPolarHBondContact OE2-CB 3.33Å; E115-F117 PolarHBondContact OE2-N 2.9Å; E115-A118 HydrophobicContact CB-CB 4.29Å; E115-A118 CarbonylContact O-C 3.55Å; E115-A118 WeakPolarHBondContact O-CB 3.41Å; E115-A118 PolarHBondContact O-N 3.45Å; E115-A118 VanDerWaalsContact O-N 3.1Å; E115-A118 PolarHBondContact OE2-N 2.97Å; E115-F119 PolarHBondContact O-N 3.42Å
116R98.4Very high97.8Very high105 Ų10566.4 Ų66.440%0.39634%0.336SS..Hα-helixtrans-49.2-49.7-171.1174.9175.5-178.4-163.80.1114.3M79 V82 F119 Y120M79-R116 HydrophobicContact CE-CG 4.37Å; M79-R116 HydrophobicContact CG-CB 4.25Å; M79-R116 HydrophobicContact SD-CB 4.05Å; M79-R116 HydrophobicContact SD-CG 3.75Å; V82-R116 HydrophobicContact CG1-CB 4.44Å; R116-F119 WeakPolarHBondContact O-CB 3.47Å; R116-F119 PolarHBondContact O-N 3.45Å; R116-Y120 HydrophobicContact CG-CD2 4.35Å; R116-Y120 HydrophobicContact CG-CE2 3.68Å; R116-Y120 PolarHBondContact NE-OH 2.71Å; R116-Y120 VanDerWaalsContact NE-OH 3.11Å; R116-Y120 PolarHBondContact NH2-OH 2.97Å; R116-Y120 WeakPolarHBondContact O-CD2 3.41Å; R116-Y120 PolarHBondContact O-N 2.92Å; R116-Y120 VanDerWaalsContact O-N 3.16Å
117F98.3Very high97.9Very high133 Ų13365.4 Ų65.458%0.58332%0.316SS*.Hα-helixtrans-74-37.6-179.1-63.2-71.2000111.9E115 F119 Y120 E121E115-F117 VanDerWaalsContact CD-N 3.28Å; E115-F117 PolarHBondContact O-N 3.28Å; E115-F117 WeakPolarHBondContact OE1-CD2 3.42Å; E115-F117 PolarHBondContact OE1-N 2.89Å; E115-F117 VanDerWaalsContact OE1-N 3.12Å; E115-F117 WeakPolarHBondContact OE2-CA 3.31Å; E115-F117 WeakPolarHBondContact OE2-CB 3.33Å; E115-F117 PolarHBondContact OE2-N 2.9Å; F117-F119 VanDerWaalsContact C-N 3.25Å; F117-F119 PolarHBondContact O-N 3.44Å; F117-Y120 HydrophobicContact CD1-CD2 4.11Å; F117-Y120 HydrophobicContact CD1-CE2 4.46Å; F117-Y120 PolarHBondContact O-N 3.31Å; F117-E121 PolarHBondContact O-N 3.11Å
118A98.8Very high98.1Very high46 Ų4664.1 Ų64.138%0.3831%0.308SS..Hα-helixtrans-59.9-36.3171.100000112.2V114 E115 E121 R122V114-A118 HydrophobicContact CG1-CB 3.73Å; E115-A118 HydrophobicContact CB-CB 4.29Å; E115-A118 CarbonylContact O-C 3.55Å; E115-A118 WeakPolarHBondContact O-CB 3.41Å; E115-A118 PolarHBondContact O-N 3.45Å; E115-A118 VanDerWaalsContact O-N 3.1Å; E115-A118 PolarHBondContact OE2-N 2.97Å; A118-E121 PolarHBondContact O-N 2.95Å; A118-R122 WeakPolarHBondContact O-CB 3.32Å; A118-R122 PolarHBondContact O-N 3.37Å
119F98.8Very high98.4Very high0 Ų056.7 Ų56.70%027%0.273CS..Hα-helixtrans-64.2-43.8174.6-170.7-77.8000110.9V29 F35 M79 V114 E115 R116 F117 R122 A123 C140 I142V29-F119 HydrophobicContact CG1-CE1 4.46Å; F35-F119 HydrophobicContact CD2-CE1 4.4Å; F35-F119 AromaticContact CE2-CD1 3.95Å; F35-F119 HydrophobicContact CE2-CD1 3.95Å; F35-F119 AromaticContact CE2-CE1 3.72Å; F35-F119 HydrophobicContact CE2-CE1 3.72Å; F35-F119 HydrophobicContact CZ-CE1 4.41Å; M79-F119 HydrophobicContact CB-CB 4.48Å; M79-F119 HydrophobicContact CB-CD2 3.91Å; M79-F119 HydrophobicContact CB-CE2 4.25Å; M79-F119 HydrophobicContact CB-CG 4.06Å; M79-F119 HydrophobicContact CE-CB 4.16Å; M79-F119 HydrophobicContact CE-CD1 3.6Å; M79-F119 HydrophobicContact CE-CE1 4.2Å; M79-F119 HydrophobicContact CE-CG 3.96Å; M79-F119 HydrophobicContact CG-CB 4.3Å; M79-F119 HydrophobicContact CG-CG 4.36Å; V114-F119 HydrophobicContact CB-CB 4.27Å; V114-F119 HydrophobicContact CB-CD2 4.16Å; V114-F119 HydrophobicContact CG1-CB 4.06Å; E115-F119 PolarHBondContact O-N 3.42Å; R116-F119 WeakPolarHBondContact O-CB 3.47Å; R116-F119 PolarHBondContact O-N 3.45Å; F117-F119 VanDerWaalsContact C-N 3.25Å; F117-F119 PolarHBondContact O-N 3.44Å; F119-R122 PolarHBondContact O-N 3.29Å; F119-A123 WeakPolarHBondContact O-CB 3.39Å; F119-A123 PolarHBondContact O-N 2.93Å; F119-C140 HydrophobicContact CE1-CB 3.85Å; F119-C140 HydrophobicContact CZ-CB 3.62Å; F119-I142 HydrophobicContact CD1-CD1 4.38Å; F119-I142 HydrophobicContact CD2-CD1 3.93Å; F119-I142 HydrophobicContact CD2-CG1 4.44Å; F119-I142 HydrophobicContact CE1-CD1 4.1Å; F119-I142 HydrophobicContact CE1-CG1 4.2Å; F119-I142 HydrophobicContact CE2-CD1 3.62Å; F119-I142 HydrophobicContact CE2-CG1 3.64Å; F119-I142 HydrophobicContact CG-CD1 4.31Å; F119-I142 HydrophobicContact CZ-CD1 3.72Å; F119-I142 HydrophobicContact CZ-CG1 3.5Å; F119-I142 VanDerWaalsContact CZ-CG1 3.5Å
120Y98.6Very high98.6Very high40 Ų4055 Ų5516%0.15726%0.26CS..Hα-helixtrans-62.6-43.1174.7-63.9-37.5000112.3F35 P36 M79 R116 F117 R122 A123 K124F35-Y120 HydrophobicContact CD2-CD1 4.42Å; F35-Y120 AromaticContact CD2-CE1 3.98Å; F35-Y120 HydrophobicContact CD2-CE1 3.98Å; F35-Y120 AromaticContact CE2-CD1 3.58Å; F35-Y120 HydrophobicContact CE2-CD1 3.58Å; F35-Y120 AromaticContact CE2-CE1 3.59Å; F35-Y120 HydrophobicContact CE2-CE1 3.59Å; F35-Y120 HydrophobicContact CZ-CD1 4.04Å; F35-Y120 HydrophobicContact CZ-CE1 4.38Å; P36-Y120 HydrophobicContact CG-CD1 4.42Å; P36-Y120 HydrophobicContact CG-CE1 4Å; M79-Y120 HydrophobicContact CE-CD1 4.16Å; M79-Y120 HydrophobicContact CE-CE1 3.56Å; R116-Y120 HydrophobicContact CG-CD2 4.35Å; R116-Y120 HydrophobicContact CG-CE2 3.68Å; R116-Y120 PolarHBondContact NE-OH 2.71Å; R116-Y120 VanDerWaalsContact NE-OH 3.11Å; R116-Y120 PolarHBondContact NH2-OH 2.97Å; R116-Y120 WeakPolarHBondContact O-CD2 3.41Å; R116-Y120 PolarHBondContact O-N 2.92Å; R116-Y120 VanDerWaalsContact O-N 3.16Å; F117-Y120 HydrophobicContact CD1-CD2 4.11Å; F117-Y120 HydrophobicContact CD1-CE2 4.46Å; F117-Y120 PolarHBondContact O-N 3.31Å; Y120-R122 VanDerWaalsContact C-N 3.31Å; Y120-R122 PolarHBondContact O-N 2.7Å; Y120-A123 PolarHBondContact O-N 3.42Å; Y120-K124 WeakPolarHBondContact O-CG 3.43Å; Y120-K124 PolarHBondContact O-N 3.34Å
121E98.8Very high98.7Very high94 Ų9451.1 Ų51.144%0.43923%0.234SC..Hα-helixtrans-64.2-35.5177.1-71.3-53.4123.700112.7F117 A118 K124F117-E121 PolarHBondContact O-N 3.11Å; A118-E121 PolarHBondContact O-N 2.95Å; E121-K124 IonicContact OE1-NZ 4Å; E121-K124 PolarHBondContact OE1-NZ 3.29Å
122R98.8Very high98.7Very high47 Ų4750.5 Ų50.518%0.17723%0.232CC..Hα-helixtrans-69-45.2172.9-172.2174178.2175.8-0.7111.5E27 E112 A118 F119 Y120 K124 K125 A126 I142E27-R122 IonicContact OE1-CZ 3.36Å; E27-R122 IonicContact OE1-NE 2.63Å; E27-R122 PolarHBondContact OE1-NE 3.44Å; E27-R122 IonicContact OE1-NH2 3.62Å; E27-R122 PolarHBondContact OE1-NH2 3.16Å; E27-R122 VanDerWaalsContact OE2-CG 3.3Å; E27-R122 WeakPolarHBondContact OE2-CG 3.13Å; E27-R122 IonicContact OE2-CZ 3.42Å; E27-R122 IonicContact OE2-NE 2.61Å; E27-R122 PolarHBondContact OE2-NE 3.27Å; E27-R122 IonicContact OE2-NH2 3.47Å; E112-R122 IonicContact OE1-NH1 3.63Å; E112-R122 IonicContact OE2-CZ 3.37Å; E112-R122 IonicContact OE2-NH1 2.68Å; E112-R122 PolarHBondContact OE2-NH1 3.17Å; E112-R122 IonicContact OE2-NH2 3.79Å; A118-R122 WeakPolarHBondContact O-CB 3.32Å; A118-R122 PolarHBondContact O-N 3.37Å; F119-R122 PolarHBondContact O-N 3.29Å; Y120-R122 VanDerWaalsContact C-N 3.31Å; Y120-R122 PolarHBondContact O-N 2.7Å; R122-K124 VanDerWaalsContact C-N 3.3Å; R122-K124 PolarHBondContact O-N 3.4Å; R122-K125 WeakPolarHBondContact O-CA 3.37Å; R122-K125 PolarHBondContact O-N 2.93Å; R122-A126 PolarHBondContact O-N 2.71Å; R122-I142 HydrophobicContact CB-CD1 4.18Å; R122-I142 HydrophobicContact CG-CD1 3.87Å
123A98.8Very high98.7Very high0 Ų048.2 Ų48.20%023%0.228CC..Hα-helixtrans-60.9-36.1179.100000112.9V29 F35 T40 F119 Y120 K125 A126V29-A123 HydrophobicContact CG2-CB 3.98Å; F35-A123 HydrophobicContact CZ-CB 3.71Å; T40-A123 HydrophobicContact CG2-CB 4.06Å; F119-A123 WeakPolarHBondContact O-CB 3.39Å; F119-A123 PolarHBondContact O-N 2.93Å; Y120-A123 PolarHBondContact O-N 3.42Å; A123-K125 PolarHBondContact O-N 2.82Å; A123-A126 VanDerWaalsContact O-CB 3.26Å; A123-A126 WeakPolarHBondContact O-CB 3.45Å; A123-A126 PolarHBondContact O-N 3.03Å; A123-A126 VanDerWaalsContact O-N 3.14Å
124K98.8Very high98.7Very high69 Ų6943.8 Ų43.830%0.321%0.209SC..THydrogen-bonded Turntrans-62.6-20.5173.5-71.4171.7-174.2172.60113.8T40 C43 P45 Y120 E121 R122T40-K124 HydrophobicContact CG2-CG 4.08Å; C43-K124 HydrophobicContact CB-CB 4.08Å; C43-K124 HydrophobicContact CB-CD 4.24Å; C43-K124 HydrophobicContact CB-CG 3.88Å; P45-K124 WeakPolarHBondContact CD-O 3.47Å; Y120-K124 WeakPolarHBondContact O-CG 3.43Å; Y120-K124 PolarHBondContact O-N 3.34Å; E121-K124 IonicContact OE1-NZ 4Å; E121-K124 PolarHBondContact OE1-NZ 3.29Å; R122-K124 VanDerWaalsContact C-N 3.3Å; R122-K124 PolarHBondContact O-N 3.4Å
125K98.7Very high98.7Very high173 Ų17348.2 Ų48.275%0.75224%0.236SC*.THydrogen-bonded Turntrans-101.2-2.7178.7-61174.4-174.3175.90112.8R122 A123R122-K125 WeakPolarHBondContact O-CA 3.37Å; R122-K125 PolarHBondContact O-N 2.93Å; A123-K125 PolarHBondContact O-N 2.82Å
126A98.9Very high98.7Very high8 Ų845.3 Ų45.37%0.06623%0.228CC..SBendtrans-63.7161.2176.300000110.5E27 V29 P45 R122 A123E27-A126 HydrophobicContact CB-CB 4.35Å; E27-A126 WeakPolarHBondContact O-CB 3.38Å; V29-A126 HydrophobicContact CG2-CB 3.65Å; P45-A126 WeakPolarHBondContact CB-O 3.43Å; R122-A126 PolarHBondContact O-N 2.71Å; A123-A126 VanDerWaalsContact O-CB 3.26Å; A123-A126 WeakPolarHBondContact O-CB 3.45Å; A123-A126 PolarHBondContact O-N 3.03Å; A123-A126 VanDerWaalsContact O-N 3.14Å
127F98.9Very high98.7Very high37 Ų3745 Ų4516%0.16223%0.233CC..SBendtrans-71.7-42.7173.5-178.3-85.4000110.9A18 K21 M22 D26 E27 I46A18-F127 HydrophobicContact CB-CD1 4.45Å; A18-F127 HydrophobicContact CB-CE1 3.98Å; K21-F127 HydrophobicContact CB-CZ 3.92Å; K21-F127 HydrophobicContact CD-CE2 3.91Å; K21-F127 HydrophobicContact CD-CZ 3.49Å; K21-F127 VanDerWaalsContact CD-CZ 3.49Å; K21-F127 HydrophobicContact CG-CZ 4.26Å; M22-F127 HydrophobicContact CG-CB 3.96Å; M22-F127 HydrophobicContact CG-CD1 3.48Å; M22-F127 VanDerWaalsContact CG-CD1 3.48Å; M22-F127 HydrophobicContact CG-CD2 4.17Å; M22-F127 HydrophobicContact CG-CE1 4.04Å; M22-F127 HydrophobicContact CG-CG 3.58Å; M22-F127 HydrophobicContact SD-CD1 4.31Å; D26-F127 HydrophobicContact CB-CB 4.18Å; E27-F127 WeakPolarHBondContact O-CB 3.41Å; E27-F127 PolarHBondContact O-N 2.74Å; I46-F127 HydrophobicContact CD1-CE1 3.81Å; I46-F127 HydrophobicContact CD1-CZ 4.01Å; I46-F127 PolarHBondContact N-O 2.92Å; I46-F127 VanDerWaalsContact N-O 3.09Å
128A98.9Very high98.7Very high0 Ų040 Ų400%021%0.211CC..EExtended strand (participates in β ladder)trans-148.7154.9178.500000112.1A18 L28 V29 I46 I48A18-A128 HydrophobicContact CB-CB 4.48Å; L28-A128 HydrophobicContact CD1-CB 3.75Å; V29-A128 PolarHBondContact N-O 2.88Å; I46-A128 HydrophobicContact CB-CB 4.08Å; I46-A128 CarbonylContact O-C 3.6Å; I46-A128 WeakPolarHBondContact O-CA 3.38Å; I46-A128 WeakPolarHBondContact O-CB 3.32Å; I48-A128 HydrophobicContact CD1-CB 4.12Å
129V98.9Very high98.7Very high0 Ų037.9 Ų37.90%019%0.193CC..EExtended strand (participates in β ladder)trans-120123.7170-178.80000108.3V29 A31 F35 T37 T40 P45 I46 I48V29-V129 HydrophobicContact CB-CB 4.28Å; V29-V129 HydrophobicContact CB-CG1 4.11Å; V29-V129 HydrophobicContact CB-CG2 3.98Å; V29-V129 HydrophobicContact CG1-CG1 4.3Å; V29-V129 HydrophobicContact CG2-CG2 3.98Å; A31-V129 HydrophobicContact CB-CG1 3.72Å; F35-V129 HydrophobicContact CD1-CG1 4.32Å; F35-V129 HydrophobicContact CE1-CG1 4.15Å; T37-V129 HydrophobicContact CG2-CB 4.2Å; T37-V129 HydrophobicContact CG2-CG1 3.63Å; T40-V129 HydrophobicContact CG2-CG2 4.27Å; P45-V129 HydrophobicContact CB-CG2 3.94Å; P45-V129 HydrophobicContact CG-CG2 3.83Å; I46-V129 PolarHBondContact O-N 3.43Å; I48-V129 PolarHBondContact N-O 2.95Å
130V98.9Very high98.7Very high0 Ų037.9 Ų37.90%019%0.193CC..EExtended strand (participates in β ladder)trans-100.2107.1176.4-167.20000109L15 L28 V29 L30 A31 I48 A50 L58 T132L15-V130 HydrophobicContact CD1-CG2 3.77Å; L28-V130 HydrophobicContact CD1-CG2 3.82Å; L28-V130 HydrophobicContact CG-CG2 4.39Å; V29-V130 PolarHBondContact O-N 3.44Å; L30-V130 HydrophobicContact CD2-CB 4.01Å; L30-V130 HydrophobicContact CD2-CG2 4.11Å; A31-V130 PolarHBondContact N-O 3.27Å; I48-V130 HydrophobicContact CB-CG1 4.42Å; I48-V130 HydrophobicContact CB-CG2 4.3Å; I48-V130 HydrophobicContact CG2-CG1 4.3Å; I48-V130 CarbonylContact O-C 3.55Å; I48-V130 VanDerWaalsContact O-CA 3.29Å; I48-V130 WeakPolarHBondContact O-CA 3.43Å; A50-V130 HydrophobicContact CB-CG1 3.71Å; L58-V130 HydrophobicContact CD2-CG1 3.77Å; V130-T132 HydrophobicContact CG1-CG2 4.46Å; V130-T132 PolarHBondContact O-N 3.23Å
131A98.9Very high98.7Very high6 Ų636 Ų365%0.0519%0.186CC..EExtended strand (participates in β ladder)trans-71.9111172.500000109.7T37 I48 A50T37-A131 HydrophobicContact CG2-CB 4.05Å; I48-A131 PolarHBondContact O-N 2.88Å; A50-A131 CarbonylContact C-O 3.5Å; A50-A131 WeakPolarHBondContact CA-O 3.41Å; A50-A131 PolarHBondContact N-O 3.17Å
132T98.9Very high98.7Very high4 Ų431.6 Ų31.63%0.02517%0.165CC..EExtended strand (participates in β ladder)trans-98.2171.2180730000111.4A31 L53 A55 L58 V130 E134A31-T132 WeakPolarHBondContact O-CB 3.38Å; A31-T132 PolarHBondContact O-N 3.07Å; A31-T132 PolarHBondContact O-OG1 2.95Å; L53-T132 WeakPolarHBondContact O-CB 3.49Å; A55-T132 HydrophobicContact CB-CG2 4.48Å; L58-T132 HydrophobicContact CD2-CG2 4.04Å; V130-T132 HydrophobicContact CG1-CG2 4.46Å; V130-T132 PolarHBondContact O-N 3.23Å; T132-E134 PolarHBondContact O-N 3.02Å; T132-E134 WeakPolarHBondContact OG1-CB 3.37Å; T132-E134 PolarHBondContact OG1-N 3.37Å
133G98.6Very high98.7Very high26 Ų2629.3 Ų29.327%0.26816%0.157SC..  trans-82.312.3167.500000114.1D51 L53 T135D51-G133 WeakPolarHBondContact O-CA 3.39Å; D51-G133 PolarHBondContact O-N 3.33Å; L53-G133 PolarHBondContact O-N 2.99Å; G133-T135 PolarHBondContact O-N 3.1Å
134E98.6Very high98.7Very high28 Ų2831.2 Ų31.213%0.13117%0.165CC..  trans-63.9126-179.2-178.657.7-101.500111.2D32 T33 A55 T132 A136D32-E134 HydrophobicContact CB-CB 4.08Å; D32-E134 HydrophobicContact CB-CG 4.07Å; D32-E134 WeakPolarHBondContact CB-O 3.41Å; T33-E134 WeakPolarHBondContact CB-O 3.37Å; T33-E134 VanDerWaalsContact CG2-O 3.25Å; T33-E134 WeakPolarHBondContact CG2-O 3.47Å; T33-E134 PolarHBondContact N-O 2.86Å; T33-E134 PolarHBondContact OG1-O 3.24Å; A55-E134 HydrophobicContact CB-CB 3.82Å; A55-E134 HydrophobicContact CB-CG 3.93Å; A55-E134 PolarHBondContact N-OE2 2.79Å; T132-E134 PolarHBondContact O-N 3.02Å; T132-E134 WeakPolarHBondContact OG1-CB 3.37Å; T132-E134 PolarHBondContact OG1-N 3.37Å; E134-A136 HydrophobicContact CG-CB 4.34Å; E134-A136 WeakPolarHBondContact OE1-CB 3.35Å; E134-A136 PolarHBondContact OE1-N 3.12Å
135T98.5Very high98.7Very high107 Ų10729.5 Ų29.566%0.65616%0.157SC*.  trans-107.9-11.4-177.157.90000112.5T33 G133 L137T33-T135 HydrophobicContact CG2-CG2 4.44Å; G133-T135 PolarHBondContact O-N 3.1Å; T135-L137 PolarHBondContact O-N 3.21Å
136A98.4Very high98.7Very high29 Ų2921.4 Ų21.424%0.2412%0.123CC..SBendtrans-61.4133.6175.300000110.7V94 E134 G139V94-A136 HydrophobicContact CB-CB 3.77Å; V94-A136 HydrophobicContact CG1-CB 4Å; V94-A136 HydrophobicContact CG2-CB 4.06Å; E134-A136 HydrophobicContact CG-CB 4.34Å; E134-A136 WeakPolarHBondContact OE1-CB 3.35Å; E134-A136 PolarHBondContact OE1-N 3.12Å; A136-G139 PolarHBondContact O-N 2.59Å
137L98.1Very high98.6Very high97 Ų9723.8 Ų23.851%0.50814%0.137SC..THydrogen-bonded Turntrans-62.9141.1173.3-60.8179.5000110.1L90 T135 G139L90-L137 HydrophobicContact CD2-CD1 4.21Å; T135-L137 PolarHBondContact O-N 3.21Å; L137-G139 PolarHBondContact O-N 3.38Å
138Y98.5Very high98.4Very high30 Ų3026.5 Ų26.512%0.11815%0.152CC..THydrogen-bonded Turntrans5733.8-174.6-57.9-93.1000112.1M79 E80 L81 V82 D85 L90 T92 W95 C140M79-Y138 HydrophobicContact CB-CD1 4.23Å; M79-Y138 HydrophobicContact CG-CD1 4.22Å; M79-Y138 HydrophobicContact CG-CE1 4.44Å; M79-Y138 HydrophobicContact SD-CD1 4.4Å; M79-Y138 HydrophobicContact SD-CE1 4.43Å; E80-Y138 WeakPolarHBondContact O-CE1 3.49Å; L81-Y138 HydrophobicContact CD2-CD2 3.92Å; L81-Y138 HydrophobicContact CD2-CE1 4.45Å; L81-Y138 HydrophobicContact CD2-CE2 3.59Å; L81-Y138 HydrophobicContact CD2-CG 4.5Å; V82-Y138 PolarHBondContact N-OH 3.44Å; D85-Y138 PolarHBondContact OD2-OH 2.75Å; L90-Y138 HydrophobicContact CD2-CD2 4.19Å; L90-Y138 HydrophobicContact CD2-CE2 3.73Å; T92-Y138 HydrophobicContact CG2-CD2 4.35Å; T92-Y138 HydrophobicContact CG2-CG 4.48Å; W95-Y138 HydrophobicContact CZ2-CG 4.41Å; W95-Y138 PolarHBondContact NE1-O 3.29Å; Y138-C140 VanDerWaalsContact C-N 3.26Å; Y138-C140 PolarHBondContact O-N 3.47Å
139G98.6Very high97.9Very high0 Ų029.7 Ų29.70%017%0.173CC..  trans-83.23.3179.600000114D32 F98 A136 L137D32-G139 PolarHBondContact OD2-N 3.27Å; F98-G139 WeakPolarHBondContact CZ-O 3.06Å; A136-G139 PolarHBondContact O-N 2.59Å; L137-G139 PolarHBondContact O-N 3.38Å
140C98.8Very high97.3Very high1 Ų132.3 Ų32.31%0.00720%0.2CC..  trans-74.7139.9173.7-62.70000112.5L30 D32 F35 F119 Y138L30-C140 CarbonylContact O-C 3.59Å; L30-C140 VanDerWaalsContact O-CA 3.26Å; L30-C140 WeakPolarHBondContact O-CA 3.45Å; D32-C140 PolarHBondContact N-SG 3.42Å; D32-C140 VanDerWaalsContact N-SG 3.42Å; D32-C140 PolarHBondContact OD2-N 2.69Å; D32-C140 PolarHBondContact OD2-SG 2.61Å; F35-C140 HydrophobicContact CD2-CB 4.46Å; F35-C140 WeakPolarHBondContact CD2-SG 3.47Å; F119-C140 HydrophobicContact CE1-CB 3.85Å; F119-C140 HydrophobicContact CZ-CB 3.62Å; Y138-C140 VanDerWaalsContact C-N 3.26Å; Y138-C140 PolarHBondContact O-N 3.47Å
141L98.9Very high96.8Very high0 Ų040.5 Ų40.50%024%0.238CC..EExtended strand (participates in β ladder)trans-138.2133.8178.7-176.670000110.5V29 L30 L59 A76 A77 V78 F98 L111 L143V29-L141 CarbonylContact C-O 3.56Å; V29-L141 WeakPolarHBondContact CA-O 3.44Å; L30-L141 HydrophobicContact CB-CB 4.41Å; L30-L141 PolarHBondContact N-O 3Å; L30-L141 PolarHBondContact O-N 3.15Å; L59-L141 HydrophobicContact CD1-CD2 3.72Å; L59-L141 HydrophobicContact CD2-CD2 3.69Å; L59-L141 HydrophobicContact CG-CD2 4.24Å; A76-L141 HydrophobicContact CB-CD1 4.27Å; A77-L141 CarbonylContact O-C 3.57Å; A77-L141 WeakPolarHBondContact O-CA 3.3Å; V78-L141 HydrophobicContact CG1-CD1 3.72Å; F98-L141 HydrophobicContact CD1-CD2 4.42Å; F98-L141 HydrophobicContact CD2-CB 4.3Å; F98-L141 HydrophobicContact CD2-CD1 4.11Å; F98-L141 HydrophobicContact CD2-CD2 4.27Å; F98-L141 HydrophobicContact CD2-CG 4.48Å; F98-L141 HydrophobicContact CE2-CB 4Å; F98-L141 HydrophobicContact CG-CD2 4.19Å; F98-L141 HydrophobicContact CZ-CB 4.41Å; L111-L141 HydrophobicContact CD2-CD1 3.91Å; L141-L143 HydrophobicContact CD2-CD2 3.87Å; L141-L143 HydrophobicContact CD2-CG 4.33Å; L141-L143 HydrophobicContact CG-CD2 4.15Å; L141-L143 HydrophobicContact CG-CG 4.45Å
142I98.9Very high96Very high1 Ų146.2 Ų46.21%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-103.4134.2169.5-58.5177.8000108E27 L28 V29 A76 A77 F119 R122E27-I142 HydrophobicContact CB-CG2 3.9Å; E27-I142 HydrophobicContact CG-CG2 4.23Å; L28-I142 CarbonylContact O-C 3.59Å; L28-I142 WeakPolarHBondContact O-CA 3.46Å; V29-I142 HydrophobicContact CG1-CG1 4.42Å; V29-I142 HydrophobicContact CG2-CG1 4.15Å; A76-I142 CarbonylContact C-O 3.35Å; A76-I142 VanDerWaalsContact CA-O 3.23Å; A76-I142 WeakPolarHBondContact CA-O 3.46Å; A77-I142 HydrophobicContact CB-CB 4.29Å; A77-I142 PolarHBondContact N-O 3.32Å; A77-I142 PolarHBondContact O-N 3.12Å; F119-I142 HydrophobicContact CD1-CD1 4.38Å; F119-I142 HydrophobicContact CD2-CD1 3.93Å; F119-I142 HydrophobicContact CD2-CG1 4.44Å; F119-I142 HydrophobicContact CE1-CD1 4.1Å; F119-I142 HydrophobicContact CE1-CG1 4.2Å; F119-I142 HydrophobicContact CE2-CD1 3.62Å; F119-I142 HydrophobicContact CE2-CG1 3.64Å; F119-I142 HydrophobicContact CG-CD1 4.31Å; F119-I142 HydrophobicContact CZ-CD1 3.72Å; F119-I142 HydrophobicContact CZ-CG1 3.5Å; F119-I142 VanDerWaalsContact CZ-CG1 3.5Å; R122-I142 HydrophobicContact CB-CD1 4.18Å; R122-I142 HydrophobicContact CG-CD1 3.87Å
143L98.9Very high94.9Very high0 Ų052 Ų520%030%0.297CS..EExtended strand (participates in β ladder)trans-117.6133.6174.2-61173.8000109.8E27 L28 L59 I62 L66 L68 P75 A76 L102 L141E27-L143 CarbonylContact C-O 3.57Å; E27-L143 WeakPolarHBondContact CA-O 3.27Å; L28-L143 PolarHBondContact N-O 3.11Å; L28-L143 PolarHBondContact O-N 3.37Å; L59-L143 HydrophobicContact CD1-CD1 3.67Å; L59-L143 HydrophobicContact CD1-CD2 3.85Å; L59-L143 HydrophobicContact CD1-CG 4.31Å; I62-L143 HydrophobicContact CG2-CD1 4.08Å; L66-L143 HydrophobicContact CD2-CB 4.33Å; L66-L143 HydrophobicContact CD2-CD1 4.37Å; L68-L143 HydrophobicContact CD1-CD2 4.28Å; L68-L143 HydrophobicContact CD2-CB 4.23Å; L68-L143 HydrophobicContact CD2-CD2 4.36Å; P75-L143 CarbonylContact O-C 3.45Å; A76-L143 HydrophobicContact CB-CD2 4.1Å; L102-L143 HydrophobicContact CD2-CD2 4.4Å; L141-L143 HydrophobicContact CD2-CD2 3.87Å; L141-L143 HydrophobicContact CD2-CG 4.33Å; L141-L143 HydrophobicContact CG-CD2 4.15Å; L141-L143 HydrophobicContact CG-CG 4.45Å
144K98.9Very high93Very high39 Ų3961.2 Ų61.217%0.1734%0.34CS..EExtended strand (participates in β ladder)trans-104122.7176.3-166.8175.4-163.864.70111.1G25 E27 L68 D69 V72 P75G25-K144 PolarHBondContact O-NZ 3.36Å; E27-K144 HydrophobicContact CG-CB 4.17Å; E27-K144 HydrophobicContact CG-CG 4.03Å; E27-K144 IonicContact OE1-NZ 2.77Å; E27-K144 PolarHBondContact OE1-NZ 2.91Å; L68-K144 WeakPolarHBondContact CA-O 3.28Å; D69-K144 HydrophobicContact CB-CB 4.18Å; D69-K144 HydrophobicContact CB-CD 4.08Å; D69-K144 HydrophobicContact CB-CG 3.93Å; D69-K144 PolarHBondContact N-O 2.9Å; D69-K144 WeakPolarHBondContact OD2-CD 3.49Å; D69-K144 WeakPolarHBondContact OD2-CE 3.22Å; V72-K144 HydrophobicContact CG1-CD 4.11Å; V72-K144 HydrophobicContact CG2-CD 4.22Å; P75-K144 HydrophobicContact CB-CB 4.46Å; P75-K144 PolarHBondContact O-N 3.41Å
145K98.8Very high92.7Very high34 Ų3462.9 Ų62.915%0.14835%0.35CS..BIsolated β-bridgetrans-71.2128.8-178.9-174.8170.7-176.3175.90111.3L19 M22 G23 H24 G25 D26 L66 P67L19-K145 PolarHBondContact O-NZ 3.39Å; M22-K145 HydrophobicContact CB-CD 3.6Å; M22-K145 HydrophobicContact CE-CB 4.07Å; M22-K145 WeakPolarHBondContact O-CD 3.43Å; M22-K145 WeakPolarHBondContact O-CE 3.33Å; M22-K145 PolarHBondContact O-NZ 2.8Å; G23-K145 WeakPolarHBondContact O-CD 3.07Å; H24-K145 PolarHBondContact ND1-O 2.94Å; H24-K145 VanDerWaalsContact ND1-O 3.16Å; G25-K145 PolarHBondContact N-O 3.45Å; D26-K145 PolarHBondContact O-N 3.47Å; L66-K145 HydrophobicContact CD1-CB 3.95Å; L66-K145 HydrophobicContact CD1-CD 3.59Å; L66-K145 HydrophobicContact CD1-CG 3.61Å; P67-K145 HydrophobicContact CG-CG 4.45Å; P67-K145 WeakPolarHBondContact O-CA 3.36Å
146G98.1Very high92.4Very high3 Ų360.5 Ų60.53%0.03133%0.334CS..  trans-91.9-152.5175.100000113.3P67 D69P67-G146 PolarHBondContact O-N 2.8Å; D69-G146 VanDerWaalsContact CA-CA 3.46Å
147V96.7Very high92Very high58 Ų5862.3 Ų62.335%0.35234%0.34SS..  trans-117.7152.4-179.7-62.10000110.4H24 Y71H24-V147 HydrophobicContact CB-CG1 3.92Å; H24-V147 VanDerWaalsContact CD2-CG1 3.45Å; H24-V147 WeakPolarHBondContact CD2-CG1 3.49Å; Y71-V147 HydrophobicContact CE2-CG2 3.94Å
148I94.2Very high91.7Very high93 Ų9360.2 Ų60.248%0.47733%0.33SS..  trans-109.4117.6163.5-60.9175.2000105.9P67 L152 L153P67-I148 HydrophobicContact CB-CG1 4.03Å; P67-I148 HydrophobicContact CG-CD1 4.23Å; P67-I148 HydrophobicContact CG-CG1 3.82Å; I148-L152 HydrophobicContact CG2-CB 4.08Å; I148-L153 HydrophobicContact CG2-CD2 3.87Å; I148-L153 HydrophobicContact CG2-CG 4.42Å
149P89.3Confident91.3Very high68 Ų6862.1 Ų62.144%0.44234%0.343SS..  trans-55.1139.2171.4-24.632.9000110.9E151 L152P149-E151 PolarHBondContact O-N 3.08Å; P149-E151 VanDerWaalsContact O-N 3.1Å; P149-L152 HydrophobicContact CB-CG 4.45Å; P149-L152 HydrophobicContact CG-CD1 4.29Å; P149-L152 PolarHBondContact O-N 2.98Å
150G85Confident90.8Very high55 Ų5566.3 Ų66.357%0.56737%0.366SS*.G310 helixtrans-58.5-26.8-179.600000113.6L152 L153G150-L152 PolarHBondContact O-N 3.3Å; G150-L153 WeakPolarHBondContact O-CB 3.26Å; G150-L153 PolarHBondContact O-N 3.04Å
151E88.1Confident90.2Very high171 Ų17170.9 Ų70.980%0.79939%0.391SS*.G310 helixtrans-65.4-12.5176.4-60.6169.9-158.900113.9P149P149-E151 PolarHBondContact O-N 3.08Å; P149-E151 VanDerWaalsContact O-N 3.1Å
152L83.7Confident89.5Confident127 Ų12776.4 Ų76.467%0.66542%0.422SS*.G310 helixtrans-101.37.1177.3-59.7-178000113.1I148 P149 G150I148-L152 HydrophobicContact CG2-CB 4.08Å; P149-L152 HydrophobicContact CB-CG 4.45Å; P149-L152 HydrophobicContact CG-CD1 4.29Å; P149-L152 PolarHBondContact O-N 2.98Å; G150-L152 PolarHBondContact O-N 3.3Å
153L74.9Confident88.7Confident124 Ų12482.7 Ų82.765%0.64946%0.456SS*.  trans-94.917.7-173.2-64177.4000114.6I148 G150I148-L153 HydrophobicContact CG2-CD2 3.87Å; I148-L153 HydrophobicContact CG2-CG 4.42Å; G150-L153 WeakPolarHBondContact O-CB 3.26Å; G150-L153 PolarHBondContact O-N 3.04Å
154D58.2Low87.8Confident220 Ų22090.2 Ų90.2100%1.17650%0.498SS*.  trans-730-179.2-67.4-25.4000114.1

Retrieved 154 of 154 residues in 153 ms (Link to these results)

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