A0A077Z7H2_TRITR Loading...

Helicase C domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7H2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 217 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
1M63.2Low92.1Very high109 Ų10954.5 Ų54.554%0.53726%0.258SS..  0126.50-171.3170.6-156.900107.8V3 I115M1-V3 HydrophobicContact CE-CG2 4.21Å; M1-V3 HydrophobicContact CG-CB 4.1Å; M1-V3 HydrophobicContact CG-CG2 3.91Å; M1-V3 PolarHBondContact O-N 2.96Å; M1-V3 VanDerWaalsContact O-N 3.14Å; M1-I115 HydrophobicContact CE-CD1 3.48Å; M1-I115 VanDerWaalsContact CE-CD1 3.48Å; M1-I115 HydrophobicContact CE-CG1 3.55Å; M1-I115 HydrophobicContact SD-CD1 3.7Å; M1-I115 HydrophobicContact SD-CG1 4.44Å
2N86.3Confident92.2Very high85 Ų8556.6 Ų56.646%0.45527%0.268SS..  trans-87.143.3-177.5-73.2-9.4000112.1K124 G125N2-K124 WeakPolarHBondContact O-CA 3.49Å; N2-G125 PolarHBondContact O-N 3.38Å
3V93.7Very high92.4Very high6 Ų661.5 Ų61.54%0.03629%0.29CS..EExtended strand (participates in β ladder)trans-124.5121.1-177.7-175.80000108.7M1 Q5 T118 G125 A127M1-V3 HydrophobicContact CE-CG2 4.21Å; M1-V3 HydrophobicContact CG-CB 4.1Å; M1-V3 HydrophobicContact CG-CG2 3.91Å; M1-V3 PolarHBondContact O-N 2.96Å; M1-V3 VanDerWaalsContact O-N 3.14Å; V3-Q5 HydrophobicContact CG1-CG 4.2Å; V3-T118 HydrophobicContact CG1-CG2 3.73Å; V3-T118 HydrophobicContact CG2-CG2 3.96Å; V3-G125 WeakPolarHBondContact CA-O 3.41Å; V3-A127 HydrophobicContact CG1-CB 3.75Å
4C95.6Very high92.6Very high56 Ų5660.2 Ų60.238%0.37829%0.286SS..EExtended strand (participates in β ladder)trans-76.2116.7168.4-178.80000108.1G125 R126 A127C4-G125 PolarHBondContact N-O 2.67Å; C4-R126 CarbonylContact O-C 3.53Å; C4-R126 WeakPolarHBondContact O-CA 3.39Å; C4-A127 PolarHBondContact O-N 3.34Å
5Q96.9Very high92.9Very high5 Ų556.5 Ų56.52%0.02327%0.268CS..EExtended strand (participates in β ladder)trans-106.3119.1-175-59.4168.273.400109V3 Y111 I115 L147 Q152V3-Q5 HydrophobicContact CG1-CG 4.2Å; Q5-Y111 PolarHBondContact OE1-OH 3.46Å; Q5-I115 HydrophobicContact CG-CD1 4.01Å; Q5-I115 VanDerWaalsContact OE1-CD1 3.3Å; Q5-L147 HydrophobicContact CB-CD2 3.69Å; Q5-Q152 HydrophobicContact CB-CB 4.47Å; Q5-Q152 HydrophobicContact CB-CG 3.98Å; Q5-Q152 HydrophobicContact CG-CG 4.33Å
6E96.8Very high93.2Very high58 Ų5853.6 Ų53.627%0.27126%0.256SS..EExtended strand (participates in β ladder)trans-119.1122.7-178.7-173.4177.6-172.300108.5E8 K25 R126 A127 T128 T129E6-E8 HydrophobicContact CG-CG 4.28Å; E6-K25 IonicContact OE1-NZ 3.72Å; E6-K25 PolarHBondContact OE1-NZ 2.97Å; E6-K25 WeakPolarHBondContact OE2-CD 3.25Å; E6-K25 IonicContact OE2-NZ 3.3Å; E6-K25 PolarHBondContact OE2-NZ 3.48Å; E6-R126 IonicContact OE2-NH1 2.82Å; E6-R126 PolarHBondContact OE2-NH1 3.31Å; E6-A127 PolarHBondContact N-O 2.78Å; E6-T128 CarbonylContact O-C 3.45Å; E6-T128 VanDerWaalsContact O-CA 3.25Å; E6-T128 WeakPolarHBondContact O-CA 3.48Å; E6-T129 PolarHBondContact O-N 3.46Å
7V97.5Very high93.3Very high10 Ų1056.3 Ų56.36%0.06127%0.269CS..EExtended strand (participates in β ladder)trans-112129.3-179.8-177.80000108.9I131 L143 L147 P155 F157 L158V7-I131 HydrophobicContact CG1-CD1 3.44Å; V7-I131 VanDerWaalsContact CG1-CD1 3.44Å; V7-I131 HydrophobicContact CG1-CG1 3.72Å; V7-I131 HydrophobicContact CG1-CG2 4.18Å; V7-L143 HydrophobicContact CG1-CD2 4.16Å; V7-L143 HydrophobicContact CG2-CD1 4.44Å; V7-L143 HydrophobicContact CG2-CD2 4.13Å; V7-L147 HydrophobicContact CB-CD1 4.44Å; V7-L147 HydrophobicContact CG2-CD1 3.76Å; V7-L147 HydrophobicContact CG2-CD2 4.22Å; V7-P155 HydrophobicContact CB-CG 3.88Å; V7-P155 HydrophobicContact CG1-CG 4.38Å; V7-P155 WeakPolarHBondContact O-CG 3.42Å; V7-F157 HydrophobicContact CG1-CZ 4.15Å; V7-L158 HydrophobicContact CG1-CD1 4.12Å
8E96.7Very high93.5Very high35 Ų3555.1 Ų55.116%0.16426%0.263CS..EExtended strand (participates in β ladder)trans-125.6132.3-174.1-63.8-178.1-126.200109.8E6 V10 H18 K25 T128 T129 F130 I131E6-E8 HydrophobicContact CG-CG 4.28Å; E8-V10 HydrophobicContact CB-CG2 4.01Å; E8-V10 PolarHBondContact O-N 2.98Å; E8-H18 IonicContact OE2-CD2 3.69Å; E8-H18 IonicContact OE2-CE1 2.59Å; E8-H18 IonicContact OE2-NE2 2.66Å; E8-H18 PolarHBondContact OE2-NE2 3.09Å; E8-K25 IonicContact OE1-NZ 2.75Å; E8-K25 PolarHBondContact OE1-NZ 3.34Å; E8-T128 HydrophobicContact CG-CG2 4.45Å; E8-T128 WeakPolarHBondContact OE1-CG2 3.43Å; E8-T129 PolarHBondContact N-O 3.25Å; E8-F130 HydrophobicContact CB-CD1 4.33Å; E8-F130 WeakPolarHBondContact O-CA 3.46Å; E8-I131 PolarHBondContact O-N 2.96Å
9Y95.5Very high93.7Very high94 Ų9452.2 Ų52.237%0.36925%0.25SC..EExtended strand (participates in β ladder)trans-80.7115171.1-172.9-81.9000109.1I131 R133 F157Y9-I131 CarbonylContact C-O 3.47Å; Y9-I131 WeakPolarHBondContact CA-O 3.44Å; Y9-R133 HydrophobicContact CE2-CG 4.49Å; Y9-R133 WeakPolarHBondContact OH-CD 3.41Å; Y9-R133 VanDerWaalsContact OH-CG 3.27Å; Y9-R133 WeakPolarHBondContact OH-CG 3.34Å; Y9-R133 PolarHBondContact OH-NE 3.19Å; Y9-F157 HydrophobicContact CD2-CD2 4.27Å; Y9-F157 HydrophobicContact CD2-CE2 4.35Å; Y9-F157 HydrophobicContact CD2-CG 4.46Å
10V96.4Very high93.9Very high6 Ų651.9 Ų51.94%0.03625%0.249CC..  trans-133.2122.1-176.5-1700000109.5E8 D14 K15 H18 F130 I131 N132E8-V10 HydrophobicContact CB-CG2 4.01Å; E8-V10 PolarHBondContact O-N 2.98Å; V10-D14 HydrophobicContact CG1-CB 4.06Å; V10-K15 HydrophobicContact CB-CG 4.22Å; V10-K15 HydrophobicContact CG1-CB 4.36Å; V10-K15 HydrophobicContact CG1-CG 3.95Å; V10-H18 HydrophobicContact CG1-CB 3.86Å; V10-F130 HydrophobicContact CB-CB 4.25Å; V10-F130 HydrophobicContact CB-CG 4.35Å; V10-F130 HydrophobicContact CG2-CB 4.15Å; V10-F130 HydrophobicContact CG2-CD1 3.74Å; V10-F130 HydrophobicContact CG2-CE1 4.35Å; V10-F130 HydrophobicContact CG2-CG 3.94Å; V10-I131 PolarHBondContact N-O 3.41Å; V10-N132 WeakPolarHBondContact O-CB 3.39Å
11R94.7Very high94.1Very high135 Ų13555.5 Ų55.551%0.50926%0.264SS..  trans-60.8148.1176.4-59.1-176.5-64.6170.91.5110.2E13 D14 K15R11-E13 HydrophobicContact CB-CG 4.26Å; R11-E13 WeakPolarHBondContact CB-OE2 3.25Å; R11-E13 WeakPolarHBondContact CD-OE1 3.37Å; R11-E13 IonicContact CZ-OE1 3.68Å; R11-E13 IonicContact NE-OE1 3.51Å; R11-E13 IonicContact NH1-OE1 2.78Å; R11-E13 PolarHBondContact O-N 3.17Å; R11-D14 IonicContact CZ-OD2 3.82Å; R11-D14 IonicContact NE-OD2 3.1Å; R11-D14 PolarHBondContact NE-OD2 3.39Å; R11-D14 IonicContact NH2-OD1 3.52Å; R11-D14 IonicContact NH2-OD2 2.75Å; R11-D14 PolarHBondContact NH2-OD2 2.86Å; R11-D14 PolarHBondContact O-N 3.43Å; R11-K15 PolarHBondContact O-N 3.02Å; R11-K15 VanDerWaalsContact O-N 3.16Å
12Q93.8Very high95.7Very high80 Ų8050.3 Ų50.337%0.37424%0.238SC..THydrogen-bonded Turntrans-57.6-40.2-172.9-171.76419.200112.1D14 K15 N132Q12-D14 VanDerWaalsContact C-N 3.26Å; Q12-D14 PolarHBondContact O-N 3.48Å; Q12-K15 PolarHBondContact O-N 3.28Å; Q12-N132 PolarHBondContact OE1-ND2 3.43Å
13E93.8Very high96.2Very high120 Ų12047.4 Ų47.456%0.56122%0.222SC*.THydrogen-bonded Turntrans-65-25.6177.560.8-89.1-153.100113.8R11R11-E13 HydrophobicContact CB-CG 4.26Å; R11-E13 WeakPolarHBondContact CB-OE2 3.25Å; R11-E13 WeakPolarHBondContact CD-OE1 3.37Å; R11-E13 IonicContact CZ-OE1 3.68Å; R11-E13 IonicContact NE-OE1 3.51Å; R11-E13 IonicContact NH1-OE1 2.78Å; R11-E13 PolarHBondContact O-N 3.17Å
14D96Very high96.4Very high44 Ų4455.1 Ų55.124%0.23526%0.258CS..THydrogen-bonded Turntrans-95.9-17.8-176.4-64.7-36.9000113V10 R11 Q12 V16 M17 H18V10-D14 HydrophobicContact CG1-CB 4.06Å; R11-D14 IonicContact CZ-OD2 3.82Å; R11-D14 IonicContact NE-OD2 3.1Å; R11-D14 PolarHBondContact NE-OD2 3.39Å; R11-D14 IonicContact NH2-OD1 3.52Å; R11-D14 IonicContact NH2-OD2 2.75Å; R11-D14 PolarHBondContact NH2-OD2 2.86Å; R11-D14 PolarHBondContact O-N 3.43Å; Q12-D14 VanDerWaalsContact C-N 3.26Å; Q12-D14 PolarHBondContact O-N 3.48Å; D14-V16 VanDerWaalsContact C-N 3.32Å; D14-V16 PolarHBondContact O-N 3.41Å; D14-M17 PolarHBondContact O-N 3.32Å; D14-M17 VanDerWaalsContact O-N 3.12Å; D14-H18 WeakPolarHBondContact O-CB 3.44Å; D14-H18 PolarHBondContact O-N 2.79Å
15K97.1Very high96.4Very high4 Ų455.4 Ų55.42%0.01725%0.253CS..Hα-helixtrans-51.9-46.7-170.9-74.4-171.4175.1-169.30113.1V10 R11 Q12 M17 H18 I19 Y102 D103 F130 N132V10-K15 HydrophobicContact CB-CG 4.22Å; V10-K15 HydrophobicContact CG1-CB 4.36Å; V10-K15 HydrophobicContact CG1-CG 3.95Å; R11-K15 PolarHBondContact O-N 3.02Å; R11-K15 VanDerWaalsContact O-N 3.16Å; Q12-K15 PolarHBondContact O-N 3.28Å; K15-M17 PolarHBondContact O-N 3.4Å; K15-H18 WeakPolarHBondContact O-CB 3.28Å; K15-H18 PolarHBondContact O-N 3.18Å; K15-H18 VanDerWaalsContact O-N 3.15Å; K15-I19 PolarHBondContact O-N 3.35Å; K15-Y102 HydrophobicContact CB-CD2 3.9Å; K15-Y102 HydrophobicContact CB-CE2 3.28Å; K15-Y102 HydrophobicContact CD-CD1 4.45Å; K15-Y102 HydrophobicContact CD-CD2 4.31Å; K15-Y102 HydrophobicContact CD-CE1 4.16Å; K15-Y102 HydrophobicContact CD-CE2 4.05Å; K15-Y102 WeakPolarHBondContact CD-O 3.45Å; K15-Y102 WeakPolarHBondContact CE-O 3.34Å; K15-Y102 HydrophobicContact CG-CE2 4.33Å; K15-Y102 PolarHBondContact NZ-O 3.07Å; K15-D103 IonicContact NZ-OD1 2.77Å; K15-D103 PolarHBondContact NZ-OD1 3.41Å; K15-F130 HydrophobicContact CB-CD2 4.27Å; K15-F130 HydrophobicContact CD-CB 4.47Å; K15-F130 HydrophobicContact CG-CB 4.47Å; K15-F130 HydrophobicContact CG-CD2 4.28Å; K15-N132 WeakPolarHBondContact CE-ND2 3.3Å
16V96.8Very high96.4Very high11 Ų1156.9 Ų56.97%0.06726%0.262CS..Hα-helixtrans-62-44.6-177.1175.70000111.4D14 H18 I19 K42 Y46 Y102D14-V16 VanDerWaalsContact C-N 3.32Å; D14-V16 PolarHBondContact O-N 3.41Å; V16-H18 VanDerWaalsContact C-N 3.27Å; V16-H18 PolarHBondContact O-N 2.9Å; V16-I19 WeakPolarHBondContact O-CB 3.47Å; V16-I19 PolarHBondContact O-N 3.11Å; V16-K42 HydrophobicContact CG2-CD 4.04Å; V16-K42 HydrophobicContact CG2-CG 4.35Å; V16-Y46 HydrophobicContact CG1-CD1 3.44Å; V16-Y46 VanDerWaalsContact CG1-CD1 3.44Å; V16-Y46 HydrophobicContact CG1-CD2 3.92Å; V16-Y46 HydrophobicContact CG1-CE1 4.03Å; V16-Y46 HydrophobicContact CG1-CE2 4.46Å; V16-Y46 HydrophobicContact CG1-CG 3.36Å; V16-Y46 VanDerWaalsContact O-CE1 3.27Å; V16-Y46 WeakPolarHBondContact O-CE1 3.23Å; V16-Y102 HydrophobicContact CG2-CE2 3.79Å; V16-Y102 WeakPolarHBondContact CG2-OH 3.22Å
17M95.3Very high96.3Very high99 Ų9956.7 Ų56.749%0.48827%0.271SS..Hα-helixtrans-67.2-33.2177.3-63.8-176.2-7300111.9D14 K15 I19 L20 Y46D14-M17 PolarHBondContact O-N 3.32Å; D14-M17 VanDerWaalsContact O-N 3.12Å; K15-M17 PolarHBondContact O-N 3.4Å; M17-I19 PolarHBondContact O-N 2.99Å; M17-L20 PolarHBondContact O-N 3.33Å; M17-Y46 WeakPolarHBondContact CA-OH 3.29Å
18H97.2Very high96.2Very high35 Ų3558.6 Ų58.616%0.16228%0.283CS..Hα-helixtrans-69.6-20.4-179.2-151.980.5000113.2E8 V10 D14 K15 V16 L20 K21 A22 F130E8-H18 IonicContact OE2-CD2 3.69Å; E8-H18 IonicContact OE2-CE1 2.59Å; E8-H18 IonicContact OE2-NE2 2.66Å; E8-H18 PolarHBondContact OE2-NE2 3.09Å; V10-H18 HydrophobicContact CG1-CB 3.86Å; D14-H18 WeakPolarHBondContact O-CB 3.44Å; D14-H18 PolarHBondContact O-N 2.79Å; K15-H18 WeakPolarHBondContact O-CB 3.28Å; K15-H18 PolarHBondContact O-N 3.18Å; K15-H18 VanDerWaalsContact O-N 3.15Å; V16-H18 VanDerWaalsContact C-N 3.27Å; V16-H18 PolarHBondContact O-N 2.9Å; H18-L20 VanDerWaalsContact C-N 3.27Å; H18-L20 PolarHBondContact O-N 3.24Å; H18-K21 WeakPolarHBondContact O-CB 3.31Å; H18-K21 PolarHBondContact O-N 2.78Å; H18-K21 VanDerWaalsContact O-N 3.13Å; H18-A22 PolarHBondContact O-N 3.07Å; H18-A22 VanDerWaalsContact O-N 3.13Å; H18-F130 HydrophobicContact CB-CE2 4.43Å; H18-F130 HydrophobicContact CB-CZ 4.27Å; H18-F130 AromaticContact CD2-CE1 3.53Å; H18-F130 AromaticContact CD2-CZ 3.71Å
19I98.1Very high96.2Very high0 Ų058.3 Ų58.30%028%0.284CS..Hα-helixtrans-55-42.3172.6-66.5174000111.3K15 V16 M17 K21 A22 L23 I32 I43 L47 Y102 F130K15-I19 PolarHBondContact O-N 3.35Å; V16-I19 WeakPolarHBondContact O-CB 3.47Å; V16-I19 PolarHBondContact O-N 3.11Å; M17-I19 PolarHBondContact O-N 2.99Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 2.91Å; I19-A22 CarbonylContact O-C 3.51Å; I19-A22 WeakPolarHBondContact O-CB 3.45Å; I19-A22 PolarHBondContact O-N 3.14Å; I19-L23 HydrophobicContact CG2-CD1 3.96Å; I19-L23 HydrophobicContact CG2-CG 4.01Å; I19-L23 WeakPolarHBondContact O-CG 3.26Å; I19-L23 PolarHBondContact O-N 2.62Å; I19-I32 HydrophobicContact CD1-CD1 4.43Å; I19-I32 HydrophobicContact CG2-CD1 3.57Å; I19-I43 HydrophobicContact CD1-CB 4.23Å; I19-I43 HydrophobicContact CD1-CD1 4.06Å; I19-I43 HydrophobicContact CD1-CG1 3.69Å; I19-I43 HydrophobicContact CD1-CG2 3.52Å; I19-L47 HydrophobicContact CG2-CD2 4Å; I19-Y102 HydrophobicContact CD1-CD2 3.83Å; I19-Y102 HydrophobicContact CD1-CE2 4.23Å; I19-Y102 HydrophobicContact CG1-CD2 4.27Å; I19-F130 HydrophobicContact CG1-CE2 3.91Å; I19-F130 HydrophobicContact CG1-CZ 4.49Å
20L97.3Very high96.3Very high45 Ų4554 Ų5424%0.23627%0.268CS..Hα-helixtrans-61.5-36.8-179.5-63.4178.4000112.3M17 H18 L23 Q24 Y46 L47 K50 V52M17-L20 PolarHBondContact O-N 3.33Å; H18-L20 VanDerWaalsContact C-N 3.27Å; H18-L20 PolarHBondContact O-N 3.24Å; L20-L23 HydrophobicContact CD2-CD1 4.36Å; L20-L23 PolarHBondContact O-N 3.18Å; L20-Q24 WeakPolarHBondContact O-CG 3.35Å; L20-Q24 PolarHBondContact O-N 2.72Å; L20-Y46 HydrophobicContact CD1-CE1 3.92Å; L20-Y46 WeakPolarHBondContact CD1-OH 3.46Å; L20-Y46 HydrophobicContact CD2-CE1 4.33Å; L20-Y46 HydrophobicContact CG-CE1 3.83Å; L20-L47 HydrophobicContact CD2-CD2 4.19Å; L20-K50 HydrophobicContact CD1-CB 4.43Å; L20-K50 HydrophobicContact CD1-CD 4.01Å; L20-K50 HydrophobicContact CD1-CG 3.93Å; L20-K50 HydrophobicContact CD2-CB 4.15Å; L20-K50 HydrophobicContact CD2-CG 4.35Å; L20-V52 HydrophobicContact CD2-CG2 4.37Å
21K96.7Very high96.4Very high128 Ų12853.7 Ų53.756%0.55727%0.266SS*.Hα-helixtrans-66.9-40.3174.9-65179.2-177.6170.50111.1H18 I19 Q24H18-K21 WeakPolarHBondContact O-CB 3.31Å; H18-K21 PolarHBondContact O-N 2.78Å; H18-K21 VanDerWaalsContact O-N 3.13Å; I19-K21 VanDerWaalsContact C-N 3.27Å; I19-K21 PolarHBondContact O-N 2.91Å; K21-Q24 PolarHBondContact O-N 2.85Å
22A97.7Very high96.6Very high0 Ų047.2 Ų47.20%024%0.242CC..Hα-helixtrans-65.3-41.2175.700000111.7H18 I19 Q24 K25 H98 I100 T128 F130H18-A22 PolarHBondContact O-N 3.07Å; H18-A22 VanDerWaalsContact O-N 3.13Å; I19-A22 CarbonylContact O-C 3.51Å; I19-A22 WeakPolarHBondContact O-CB 3.45Å; I19-A22 PolarHBondContact O-N 3.14Å; A22-Q24 PolarHBondContact O-N 2.89Å; A22-K25 VanDerWaalsContact O-CB 3.31Å; A22-K25 WeakPolarHBondContact O-CB 3.32Å; A22-K25 WeakPolarHBondContact O-CG 3.46Å; A22-K25 PolarHBondContact O-N 3.28Å; A22-K25 VanDerWaalsContact O-N 3.09Å; A22-H98 PolarHBondContact O-CE1 3.5Å; A22-H98 PolarHBondContact O-ND1 2.98Å; A22-I100 HydrophobicContact CB-CD1 3.68Å; A22-I100 HydrophobicContact CB-CG1 4.23Å; A22-T128 HydrophobicContact CB-CG2 4.3Å; A22-F130 HydrophobicContact CB-CE1 4.36Å; A22-F130 HydrophobicContact CB-CZ 4.05Å
23L97.8Very high96.8Very high24 Ų2443.5 Ų43.513%0.12622%0.224CC..Hα-helixtrans-60.2-30.5177.4-71.3177.5000113.1I19 L20 K25 V30 L47 V52 V80 I100I19-L23 HydrophobicContact CG2-CD1 3.96Å; I19-L23 HydrophobicContact CG2-CG 4.01Å; I19-L23 WeakPolarHBondContact O-CG 3.26Å; I19-L23 PolarHBondContact O-N 2.62Å; L20-L23 HydrophobicContact CD2-CD1 4.36Å; L20-L23 PolarHBondContact O-N 3.18Å; L23-K25 PolarHBondContact O-N 3.24Å; L23-V30 HydrophobicContact CD2-CB 3.96Å; L23-V30 HydrophobicContact CD2-CG1 3.73Å; L23-V30 HydrophobicContact CD2-CG2 3.89Å; L23-L47 HydrophobicContact CD1-CD2 3.63Å; L23-V52 HydrophobicContact CD1-CG1 4.4Å; L23-V52 HydrophobicContact CD1-CG2 4.45Å; L23-V80 HydrophobicContact CD1-CG2 4.38Å; L23-V80 HydrophobicContact CD2-CG2 3.88Å; L23-I100 HydrophobicContact CD2-CD1 3.91Å; L23-I100 HydrophobicContact CG-CD1 4.32Å
24Q96.6Very high97Very high168 Ų16837.8 Ų37.879%0.78520%0.198SC*.THydrogen-bonded Turntrans-68.5-11.8177.5-71.6175.1-3.500114.1L20 K21 A22 T26L20-Q24 WeakPolarHBondContact O-CG 3.35Å; L20-Q24 PolarHBondContact O-N 2.72Å; K21-Q24 PolarHBondContact O-N 2.85Å; A22-Q24 PolarHBondContact O-N 2.89Å; Q24-T26 VanDerWaalsContact C-N 3.34Å
25K96.2Very high97Very high62 Ų6239.1 Ų39.127%0.2720%0.202SC..THydrogen-bonded Turntrans-78.9-18.2-175.8-60.2179.8179.7-1730113.4E6 E8 A22 L23E6-K25 IonicContact OE1-NZ 3.72Å; E6-K25 PolarHBondContact OE1-NZ 2.97Å; E6-K25 WeakPolarHBondContact OE2-CD 3.25Å; E6-K25 IonicContact OE2-NZ 3.3Å; E6-K25 PolarHBondContact OE2-NZ 3.48Å; E8-K25 IonicContact OE1-NZ 2.75Å; E8-K25 PolarHBondContact OE1-NZ 3.34Å; A22-K25 VanDerWaalsContact O-CB 3.31Å; A22-K25 WeakPolarHBondContact O-CB 3.32Å; A22-K25 WeakPolarHBondContact O-CG 3.46Å; A22-K25 PolarHBondContact O-N 3.28Å; A22-K25 VanDerWaalsContact O-N 3.09Å; L23-K25 PolarHBondContact O-N 3.24Å
26T95.8Very high96.9Very high36 Ų3645.1 Ų45.122%0.22123%0.228CC..SBendtrans-149.9159.5-178.1650000111.1Q24 H98 R126Q24-T26 VanDerWaalsContact C-N 3.34Å; T26-H98 HydrophobicContact CG2-CB 3.9Å; T26-H98 WeakPolarHBondContact OG1-CB 3.44Å; T26-H98 PolarHBondContact OG1-ND1 3.45Å; T26-R126 HydrophobicContact CG2-CB 3.99Å
27A95.2Very high96.9Very high54 Ų5450 Ų5045%0.44625%0.249SC..PPolyproline II helixtrans-77162.5165.300000110.8K97A27-K97 HydrophobicContact CB-CD 4.42Å; A27-K97 WeakPolarHBondContact O-CD 3.39Å
28P95.6Very high96.9Very high50 Ų5050.7 Ų50.733%0.32525%0.254SS..SBendtrans-56.1158169.5-25.636.1000113.3D79 K97P28-D79 HydrophobicContact CB-CB 3.79Å; P28-D79 WeakPolarHBondContact CB-OD1 3.36Å; P28-D79 HydrophobicContact CG-CB 3.55Å; P28-D79 VanDerWaalsContact CG-CG 3.41Å; P28-D79 VanDerWaalsContact CG-OD1 3.28Å; P28-D79 WeakPolarHBondContact CG-OD1 3.37Å; P28-K97 VanDerWaalsContact O-CD 3.29Å; P28-K97 WeakPolarHBondContact O-CD 3.35Å; P28-K97 VanDerWaalsContact O-CE 3.25Å; P28-K97 WeakPolarHBondContact O-CE 3.39Å; P28-K97 PolarHBondContact O-NZ 3.46Å
29P96.5Very high97Very high29 Ų2950 Ų5019%0.18825%0.252CS..PPolyproline II helixcis-85.21422.228.6-30.2000113.7F73 D79 P94 K97P29-F73 HydrophobicContact CB-CE1 4.42Å; P29-F73 HydrophobicContact CB-CE2 3.69Å; P29-F73 HydrophobicContact CB-CZ 3.62Å; P29-D79 WeakPolarHBondContact CA-O 3.47Å; P29-P94 HydrophobicContact CG-CG 4.33Å; P29-K97 PolarHBondContact O-N 3.39Å
30V97.9Very high97Very high3 Ų350 Ų502%0.01825%0.252CS..EExtended strand (participates in β ladder)trans-116134.3178-175.70000110.9L23 I32 F73 D79 V80 L81 H98 I100L23-V30 HydrophobicContact CD2-CB 3.96Å; L23-V30 HydrophobicContact CD2-CG1 3.73Å; L23-V30 HydrophobicContact CD2-CG2 3.89Å; V30-I32 HydrophobicContact CG1-CG1 4.3Å; V30-F73 WeakPolarHBondContact O-CE2 3.35Å; V30-F73 WeakPolarHBondContact O-CZ 3.22Å; V30-D79 PolarHBondContact N-O 2.95Å; V30-V80 HydrophobicContact CB-CG2 4.31Å; V30-V80 WeakPolarHBondContact O-CA 3.46Å; V30-L81 PolarHBondContact O-N 3.12Å; V30-H98 WeakPolarHBondContact CA-O 3.41Å; V30-H98 HydrophobicContact CG1-CB 4.16Å; V30-H98 WeakPolarHBondContact CG1-O 3.38Å; V30-H98 HydrophobicContact CG2-CB 4.14Å; V30-I100 HydrophobicContact CG1-CD1 3.73Å; V30-I100 HydrophobicContact CG1-CG1 4.01Å
31L97.8Very high97Very high0 Ų050.3 Ų50.30%025%0.254CS..EExtended strand (participates in β ladder)trans-110.3122173.8178.459.7000109.8F33 L81 A83 F93 I96 H98 V99 I100 R117L31-F33 HydrophobicContact CD2-CD2 4.34Å; L31-F33 HydrophobicContact CD2-CE1 4.44Å; L31-F33 HydrophobicContact CD2-CE2 3.42Å; L31-F33 VanDerWaalsContact CD2-CE2 3.42Å; L31-F33 HydrophobicContact CD2-CZ 3.49Å; L31-F33 VanDerWaalsContact CD2-CZ 3.49Å; L31-F33 HydrophobicContact CG-CD2 4.22Å; L31-F33 HydrophobicContact CG-CE2 3.78Å; L31-F33 HydrophobicContact CG-CZ 4.1Å; L31-L81 CarbonylContact C-O 3.49Å; L31-L81 WeakPolarHBondContact CA-O 3.47Å; L31-L81 HydrophobicContact CD1-CB 4.05Å; L31-L81 HydrophobicContact CD1-CD2 4.05Å; L31-L81 HydrophobicContact CD1-CG 4.16Å; L31-L81 WeakPolarHBondContact CD1-O 3.04Å; L31-A83 HydrophobicContact CD1-CB 4.32Å; L31-F93 HydrophobicContact CD1-CE1 4.41Å; L31-F93 HydrophobicContact CD2-CD1 4.49Å; L31-F93 HydrophobicContact CD2-CD2 4.35Å; L31-F93 HydrophobicContact CD2-CE1 4.44Å; L31-F93 HydrophobicContact CD2-CE2 4.26Å; L31-F93 HydrophobicContact CD2-CG 4.45Å; L31-F93 HydrophobicContact CD2-CZ 4.31Å; L31-I96 HydrophobicContact CB-CD1 3.74Å; L31-I96 HydrophobicContact CB-CG1 4.27Å; L31-I96 HydrophobicContact CB-CG2 4.09Å; L31-I96 HydrophobicContact CD2-CD1 3.54Å; L31-I96 HydrophobicContact CG-CD1 4.28Å; L31-H98 PolarHBondContact N-O 3.24Å; L31-V99 CarbonylContact O-C 3.5Å; L31-V99 VanDerWaalsContact O-CA 3.32Å; L31-V99 WeakPolarHBondContact O-CA 3.39Å; L31-I100 PolarHBondContact O-N 2.98Å; L31-R117 HydrophobicContact CD2-CB 4.1Å; L31-R117 HydrophobicContact CD2-CG 4.07Å
32I98.5Very high97.1Very high0 Ų049.2 Ų49.20%025%0.249CC..EExtended strand (participates in β ladder)trans-105.4125.9176.3-49.9-173000109I19 V30 I43 L47 V80 L81 V82 A83 I100I19-I32 HydrophobicContact CD1-CD1 4.43Å; I19-I32 HydrophobicContact CG2-CD1 3.57Å; V30-I32 HydrophobicContact CG1-CG1 4.3Å; I32-I43 HydrophobicContact CD1-CG2 4.26Å; I32-I43 HydrophobicContact CG2-CD1 4.37Å; I32-L47 HydrophobicContact CD1-CD1 4.08Å; I32-V80 HydrophobicContact CD1-CG1 3.64Å; I32-V80 HydrophobicContact CG1-CG1 3.76Å; I32-L81 PolarHBondContact N-O 3.08Å; I32-V82 HydrophobicContact CB-CG1 4.24Å; I32-V82 HydrophobicContact CB-CG2 4.36Å; I32-V82 HydrophobicContact CD1-CG2 4.49Å; I32-V82 HydrophobicContact CG2-CG1 4.38Å; I32-V82 CarbonylContact O-C 3.54Å; I32-V82 WeakPolarHBondContact O-CA 3.25Å; I32-A83 PolarHBondContact O-N 3.21Å; I32-I100 CarbonylContact C-O 3.59Å; I32-I100 VanDerWaalsContact CA-O 3.25Å; I32-I100 WeakPolarHBondContact CA-O 3.32Å; I32-I100 HydrophobicContact CD1-CD1 4.35Å; I32-I100 HydrophobicContact CG1-CB 4.13Å; I32-I100 HydrophobicContact CG1-CD1 4.28Å; I32-I100 HydrophobicContact CG2-CB 4.32Å; I32-I100 HydrophobicContact CG2-CG2 4.37Å
33F98.4Very high97.1Very high2 Ų249.2 Ų49.21%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-102.7130.2173-76.4-76.3000111.4L31 A83 S88 V99 I100 Y102 R114 R117L31-F33 HydrophobicContact CD2-CD2 4.34Å; L31-F33 HydrophobicContact CD2-CE1 4.44Å; L31-F33 HydrophobicContact CD2-CE2 3.42Å; L31-F33 VanDerWaalsContact CD2-CE2 3.42Å; L31-F33 HydrophobicContact CD2-CZ 3.49Å; L31-F33 VanDerWaalsContact CD2-CZ 3.49Å; L31-F33 HydrophobicContact CG-CD2 4.22Å; L31-F33 HydrophobicContact CG-CE2 3.78Å; L31-F33 HydrophobicContact CG-CZ 4.1Å; F33-A83 WeakPolarHBondContact CA-O 3.31Å; F33-S88 WeakPolarHBondContact CE1-OG 3.42Å; F33-V99 HydrophobicContact CD2-CG1 3.9Å; F33-V99 HydrophobicContact CE2-CG1 4.14Å; F33-I100 PolarHBondContact N-O 2.77Å; F33-Y102 VanDerWaalsContact O-CB 3.26Å; F33-Y102 WeakPolarHBondContact O-CB 3.01Å; F33-Y102 PolarHBondContact O-N 3.47Å; F33-R114 HydrophobicContact CB-CG 4.5Å; F33-R114 HydrophobicContact CD1-CG 4.16Å; F33-R114 HydrophobicContact CD2-CB 3.79Å; F33-R114 HydrophobicContact CD2-CG 3.68Å; F33-R114 HydrophobicContact CE1-CG 4.25Å; F33-R114 HydrophobicContact CE2-CB 3.77Å; F33-R114 HydrophobicContact CE2-CG 3.78Å; F33-R114 HydrophobicContact CG-CB 4.46Å; F33-R114 HydrophobicContact CG-CG 3.87Å; F33-R114 HydrophobicContact CZ-CB 4.44Å; F33-R114 HydrophobicContact CZ-CG 4.06Å; F33-R117 HydrophobicContact CE2-CG 4.14Å; F33-R117 HydrophobicContact CZ-CG 4.16Å
34A98Very high97.2Very high0 Ų049.2 Ų49.20%025%0.249CC..  trans-131.2150.616700000109.3D39 V40 I43 A83 T84 Y102A34-D39 HydrophobicContact CB-CB 3.93Å; A34-V40 HydrophobicContact CB-CG2 3.97Å; A34-I43 HydrophobicContact CB-CD1 3.96Å; A34-A83 PolarHBondContact N-O 3.13Å; A34-A83 VanDerWaalsContact N-O 3.13Å; A34-T84 WeakPolarHBondContact O-CA 3.43Å; A34-Y102 HydrophobicContact CB-CD1 3.9Å; A34-Y102 HydrophobicContact CB-CG 4.44Å
35E95.5Very high97.2Very high71 Ų7148 Ų4833%0.33224%0.243SC..SBendtrans-75.6-42.5-176-73.3179.3170.600112D103 P105E35-D103 HydrophobicContact CG-CB 3.88Å; E35-D103 PolarHBondContact N-OD2 3.07Å; E35-P105 WeakPolarHBondContact OE1-CA 3.16Å
36K95.7Very high97.3Very high131 Ų13147.1 Ų47.157%0.5724%0.239SC*.SBendtrans-97.3140.3-172.6-60.6175.7-174.6173.20110.8D38 D39 V40K36-D38 PolarHBondContact O-N 2.91Å; K36-D39 HydrophobicContact CB-CB 4.41Å; K36-D39 PolarHBondContact O-N 2.86Å; K36-D39 VanDerWaalsContact O-N 3.15Å; K36-V40 PolarHBondContact O-N 2.98Å; K36-V40 VanDerWaalsContact O-N 3.08Å
37K96.2Very high97.5Very high114 Ų11445.4 Ų45.450%0.49623%0.228SC..Hα-helixtrans-57-36.9173.561.1175.5-171.8174.80112.4D39 V40 D41 H58K37-D39 VanDerWaalsContact C-N 3.33Å; K37-D39 PolarHBondContact O-N 2.94Å; K37-V40 WeakPolarHBondContact O-CB 3.28Å; K37-V40 PolarHBondContact O-N 3Å; K37-V40 VanDerWaalsContact O-N 3.16Å; K37-D41 PolarHBondContact O-N 2.88Å; K37-H58 HydrophobicContact CB-CB 4.02Å; K37-H58 WeakPolarHBondContact CB-ND1 3.31Å
38D97.1Very high97.6Very high112 Ų11247 Ų4760%0.59923%0.229SC*.Hα-helixtrans-67.2-35.7-179.8-60.2-4.6000111.3K36 K42K36-D38 PolarHBondContact O-N 2.91Å; D38-K42 VanDerWaalsContact O-CB 3.26Å; D38-K42 WeakPolarHBondContact O-CB 3.43Å; D38-K42 PolarHBondContact O-N 3.29Å
39D97.7Very high97.7Very high22 Ų2251.3 Ų51.312%0.11825%0.248CC..Hα-helixtrans-68.4-40172.7-75.4-55.8000110.9A34 K36 K37 D41 K42 I43 Y102A34-D39 HydrophobicContact CB-CB 3.93Å; K36-D39 HydrophobicContact CB-CB 4.41Å; K36-D39 PolarHBondContact O-N 2.86Å; K36-D39 VanDerWaalsContact O-N 3.15Å; K37-D39 VanDerWaalsContact C-N 3.33Å; K37-D39 PolarHBondContact O-N 2.94Å; D39-D41 PolarHBondContact O-N 2.82Å; D39-K42 PolarHBondContact O-N 3.19Å; D39-I43 WeakPolarHBondContact O-CB 3.38Å; D39-I43 WeakPolarHBondContact O-CD1 3.49Å; D39-I43 WeakPolarHBondContact O-CG1 3.39Å; D39-I43 PolarHBondContact O-N 3.41Å; D39-Y102 HydrophobicContact CB-CD1 4.45Å; D39-Y102 HydrophobicContact CB-CE1 3.95Å; D39-Y102 PolarHBondContact OD1-OH 2.86Å
40V98.5Very high97.8Very high0 Ų055.3 Ų55.30%026%0.262CS..Hα-helixtrans-57.9-48.6174.8170.70000111.5A34 K36 K37 I43 L44 H58 V82 T84A34-V40 HydrophobicContact CB-CG2 3.97Å; K36-V40 PolarHBondContact O-N 2.98Å; K36-V40 VanDerWaalsContact O-N 3.08Å; K37-V40 WeakPolarHBondContact O-CB 3.28Å; K37-V40 PolarHBondContact O-N 3Å; K37-V40 VanDerWaalsContact O-N 3.16Å; V40-I43 PolarHBondContact O-N 2.98Å; V40-L44 WeakPolarHBondContact O-CB 3.16Å; V40-L44 PolarHBondContact O-N 3.07Å; V40-H58 HydrophobicContact CG1-CB 4.39Å; V40-V82 HydrophobicContact CB-CG1 4.18Å; V40-V82 HydrophobicContact CG1-CB 4.14Å; V40-V82 HydrophobicContact CG1-CG1 3.87Å; V40-V82 HydrophobicContact CG2-CG1 4.17Å; V40-T84 HydrophobicContact CG2-CG2 3.7Å
41D98Very high97.8Very high51 Ų5158 Ų5827%0.27329%0.291SS..Hα-helixtrans-66.3-41.9178.7-75.2-41000111.8K37 D39 I43 L44 E45 H58 R61K37-D41 PolarHBondContact O-N 2.88Å; D39-D41 PolarHBondContact O-N 2.82Å; D41-I43 VanDerWaalsContact C-N 3.35Å; D41-I43 PolarHBondContact O-N 3.3Å; D41-L44 PolarHBondContact O-N 3.42Å; D41-E45 WeakPolarHBondContact O-CB 3.43Å; D41-E45 PolarHBondContact O-N 3.31Å; D41-H58 IonicContact OD1-CD2 3.28Å; D41-H58 IonicContact OD1-CE1 3.6Å; D41-H58 IonicContact OD1-NE2 2.67Å; D41-H58 PolarHBondContact OD1-NE2 3.23Å; D41-H58 VanDerWaalsContact OD1-NE2 3.1Å; D41-H58 IonicContact OD2-CE1 3.65Å; D41-H58 PolarHBondContact OD2-CE1 3.1Å; D41-H58 VanDerWaalsContact OD2-CE1 3.3Å; D41-H58 IonicContact OD2-NE2 2.68Å; D41-R61 IonicContact OD1-CZ 2.64Å; D41-R61 IonicContact OD1-NH2 3.19Å; D41-R61 PolarHBondContact OD1-NH2 3.05Å
42K98Very high97.8Very high105 Ų10559.4 Ų59.446%0.45730%0.3SS..Hα-helixtrans-60.2-42.4175.7-176.9-175.5-177-1720112.4V16 D38 D39 Y46V16-K42 HydrophobicContact CG2-CD 4.04Å; V16-K42 HydrophobicContact CG2-CG 4.35Å; D38-K42 VanDerWaalsContact O-CB 3.26Å; D38-K42 WeakPolarHBondContact O-CB 3.43Å; D38-K42 PolarHBondContact O-N 3.29Å; D39-K42 PolarHBondContact O-N 3.19Å; K42-Y46 WeakPolarHBondContact O-CB 3.46Å; K42-Y46 PolarHBondContact O-N 3.19Å; K42-Y46 VanDerWaalsContact O-N 3.09Å
43I98.6Very high97.8Very high0 Ų063.6 Ų63.60%032%0.319CS..Hα-helixtrans-65.8-46.5176.9-67.9161.8000109.9I19 I32 A34 D39 V40 D41 E45 Y46 L47 V82 Y102I19-I43 HydrophobicContact CD1-CB 4.23Å; I19-I43 HydrophobicContact CD1-CD1 4.06Å; I19-I43 HydrophobicContact CD1-CG1 3.69Å; I19-I43 HydrophobicContact CD1-CG2 3.52Å; I32-I43 HydrophobicContact CD1-CG2 4.26Å; I32-I43 HydrophobicContact CG2-CD1 4.37Å; A34-I43 HydrophobicContact CB-CD1 3.96Å; D39-I43 WeakPolarHBondContact O-CB 3.38Å; D39-I43 WeakPolarHBondContact O-CD1 3.49Å; D39-I43 WeakPolarHBondContact O-CG1 3.39Å; D39-I43 PolarHBondContact O-N 3.41Å; V40-I43 PolarHBondContact O-N 2.98Å; D41-I43 VanDerWaalsContact C-N 3.35Å; D41-I43 PolarHBondContact O-N 3.3Å; I43-E45 PolarHBondContact O-N 3.01Å; I43-Y46 PolarHBondContact O-N 3.39Å; I43-L47 HydrophobicContact CG2-CD1 3.87Å; I43-L47 HydrophobicContact CG2-CG 4.22Å; I43-L47 WeakPolarHBondContact O-CB 3.41Å; I43-L47 VanDerWaalsContact O-CG 3.28Å; I43-L47 WeakPolarHBondContact O-CG 3.3Å; I43-L47 PolarHBondContact O-N 2.89Å; I43-V82 HydrophobicContact CB-CG1 4.05Å; I43-V82 HydrophobicContact CD1-CG1 4.15Å; I43-V82 HydrophobicContact CG2-CG1 3.93Å; I43-V82 HydrophobicContact CG2-CG2 3.8Å; I43-Y102 HydrophobicContact CD1-CD1 3.92Å; I43-Y102 HydrophobicContact CD1-CD2 3.73Å; I43-Y102 HydrophobicContact CD1-CE1 4.26Å; I43-Y102 HydrophobicContact CD1-CE2 4.03Å; I43-Y102 HydrophobicContact CD1-CG 3.65Å; I43-Y102 HydrophobicContact CG1-CD2 4.26Å; I43-Y102 HydrophobicContact CG1-CE2 4.17Å
44L98.5Very high97.8Very high23 Ų2363.8 Ų63.812%0.1232%0.321CS..Hα-helixtrans-57.1-51.3178.1176.263.9000111.1V40 D41 Y46 L47 L48 A54 S56V40-L44 WeakPolarHBondContact O-CB 3.16Å; V40-L44 PolarHBondContact O-N 3.07Å; D41-L44 PolarHBondContact O-N 3.42Å; L44-Y46 VanDerWaalsContact C-N 3.31Å; L44-Y46 PolarHBondContact O-N 2.96Å; L44-L47 PolarHBondContact O-N 3.28Å; L44-L48 HydrophobicContact CD1-CD1 4.01Å; L44-L48 HydrophobicContact CD1-CD2 4.5Å; L44-L48 HydrophobicContact CD1-CG 4.06Å; L44-L48 HydrophobicContact CG-CD1 4.02Å; L44-L48 HydrophobicContact CG-CG 4.43Å; L44-L48 WeakPolarHBondContact O-CG 2.97Å; L44-L48 PolarHBondContact O-N 3.47Å; L44-A54 HydrophobicContact CD1-CB 3.71Å; L44-A54 WeakPolarHBondContact CD1-O 3.44Å; L44-S56 WeakPolarHBondContact CD2-OG 3.39Å
45E98.3Very high97.8Very high142 Ų14264.2 Ų64.266%0.66432%0.324SS*.Hα-helixtrans-56.1-46.6178.6-176-178.2-174.400111.5D41 I43 L47 L48 L49D41-E45 WeakPolarHBondContact O-CB 3.43Å; D41-E45 PolarHBondContact O-N 3.31Å; I43-E45 PolarHBondContact O-N 3.01Å; E45-L47 PolarHBondContact O-N 3Å; E45-L48 PolarHBondContact O-N 3.18Å; E45-L49 WeakPolarHBondContact O-CB 3.44Å; E45-L49 PolarHBondContact O-N 3.13Å
46Y98.5Very high97.9Very high45 Ų4561.2 Ų61.218%0.17631%0.311CS..Hα-helixtrans-62.6-42.1178.5-178.8-105.6000112.9V16 M17 L20 K42 I43 L44 L49 K50V16-Y46 HydrophobicContact CG1-CD1 3.44Å; V16-Y46 VanDerWaalsContact CG1-CD1 3.44Å; V16-Y46 HydrophobicContact CG1-CD2 3.92Å; V16-Y46 HydrophobicContact CG1-CE1 4.03Å; V16-Y46 HydrophobicContact CG1-CE2 4.46Å; V16-Y46 HydrophobicContact CG1-CG 3.36Å; V16-Y46 VanDerWaalsContact O-CE1 3.27Å; V16-Y46 WeakPolarHBondContact O-CE1 3.23Å; M17-Y46 WeakPolarHBondContact CA-OH 3.29Å; L20-Y46 HydrophobicContact CD1-CE1 3.92Å; L20-Y46 WeakPolarHBondContact CD1-OH 3.46Å; L20-Y46 HydrophobicContact CD2-CE1 4.33Å; L20-Y46 HydrophobicContact CG-CE1 3.83Å; K42-Y46 WeakPolarHBondContact O-CB 3.46Å; K42-Y46 PolarHBondContact O-N 3.19Å; K42-Y46 VanDerWaalsContact O-N 3.09Å; I43-Y46 PolarHBondContact O-N 3.39Å; L44-Y46 VanDerWaalsContact C-N 3.31Å; L44-Y46 PolarHBondContact O-N 2.96Å; Y46-L49 PolarHBondContact O-N 2.89Å; Y46-K50 HydrophobicContact CE1-CG 4.22Å; Y46-K50 HydrophobicContact CE2-CG 4.26Å; Y46-K50 WeakPolarHBondContact O-CG 3.07Å; Y46-K50 PolarHBondContact O-N 3.07Å; Y46-K50 VanDerWaalsContact O-N 3.13Å
47L98.6Very high97.9Very high0 Ų055 Ų550%028%0.284CS..Hα-helixtrans-64.4-45178.2-72.7178.3000111.8I19 L20 L23 I32 I43 L44 E45 L49 K50 G51 V52 A54 V80 V82I19-L47 HydrophobicContact CG2-CD2 4Å; L20-L47 HydrophobicContact CD2-CD2 4.19Å; L23-L47 HydrophobicContact CD1-CD2 3.63Å; I32-L47 HydrophobicContact CD1-CD1 4.08Å; I43-L47 HydrophobicContact CG2-CD1 3.87Å; I43-L47 HydrophobicContact CG2-CG 4.22Å; I43-L47 WeakPolarHBondContact O-CB 3.41Å; I43-L47 VanDerWaalsContact O-CG 3.28Å; I43-L47 WeakPolarHBondContact O-CG 3.3Å; I43-L47 PolarHBondContact O-N 2.89Å; L44-L47 PolarHBondContact O-N 3.28Å; E45-L47 PolarHBondContact O-N 3Å; L47-L49 PolarHBondContact O-N 3.29Å; L47-K50 CarbonylContact O-C 3.5Å; L47-K50 WeakPolarHBondContact O-CA 3.37Å; L47-K50 PolarHBondContact O-N 3.03Å; L47-K50 VanDerWaalsContact O-N 3.08Å; L47-G51 PolarHBondContact O-N 3.36Å; L47-V52 HydrophobicContact CB-CB 4.12Å; L47-V52 HydrophobicContact CD2-CB 4.27Å; L47-V52 HydrophobicContact CD2-CG1 4.35Å; L47-V52 HydrophobicContact CD2-CG2 4.24Å; L47-V52 WeakPolarHBondContact O-CB 3.43Å; L47-V52 PolarHBondContact O-N 3.46Å; L47-A54 HydrophobicContact CB-CB 3.99Å; L47-A54 HydrophobicContact CD1-CB 3.94Å; L47-V80 HydrophobicContact CD1-CB 4.34Å; L47-V80 HydrophobicContact CD1-CG1 3.84Å; L47-V82 HydrophobicContact CD1-CG2 4.02Å
48L98.3Very high97.9Very high88 Ų8849.8 Ų49.846%0.46126%0.262SS..Hα-helixtrans-62.5-42.9177-66.1177.1000111.4L44 E45 K50 G51L44-L48 HydrophobicContact CD1-CD1 4.01Å; L44-L48 HydrophobicContact CD1-CD2 4.5Å; L44-L48 HydrophobicContact CD1-CG 4.06Å; L44-L48 HydrophobicContact CG-CD1 4.02Å; L44-L48 HydrophobicContact CG-CG 4.43Å; L44-L48 WeakPolarHBondContact O-CG 2.97Å; L44-L48 PolarHBondContact O-N 3.47Å; E45-L48 PolarHBondContact O-N 3.18Å; L48-K50 PolarHBondContact O-N 2.91Å; L48-G51 PolarHBondContact O-N 3.28Å
49L98.1Very high97.8Very high139 Ų13948.1 Ų48.173%0.72827%0.271SS*.Hα-helixtrans-59.8-29.1174.7-17765.7000112.5E45 Y46 L47 G51E45-L49 WeakPolarHBondContact O-CB 3.44Å; E45-L49 PolarHBondContact O-N 3.13Å; Y46-L49 PolarHBondContact O-N 2.89Å; L47-L49 PolarHBondContact O-N 3.29Å; L49-G51 VanDerWaalsContact C-N 3.33Å
50K97.9Very high97.6Very high113 Ų11349.6 Ų49.649%0.49129%0.291SS..THydrogen-bonded Turntrans-90.45.7177.5-64.1-69.3179.8-166.40113.6L20 Y46 L47 L48 V52L20-K50 HydrophobicContact CD1-CB 4.43Å; L20-K50 HydrophobicContact CD1-CD 4.01Å; L20-K50 HydrophobicContact CD1-CG 3.93Å; L20-K50 HydrophobicContact CD2-CB 4.15Å; L20-K50 HydrophobicContact CD2-CG 4.35Å; Y46-K50 HydrophobicContact CE1-CG 4.22Å; Y46-K50 HydrophobicContact CE2-CG 4.26Å; Y46-K50 WeakPolarHBondContact O-CG 3.07Å; Y46-K50 PolarHBondContact O-N 3.07Å; Y46-K50 VanDerWaalsContact O-N 3.13Å; L47-K50 CarbonylContact O-C 3.5Å; L47-K50 WeakPolarHBondContact O-CA 3.37Å; L47-K50 PolarHBondContact O-N 3.03Å; L47-K50 VanDerWaalsContact O-N 3.08Å; L48-K50 PolarHBondContact O-N 2.91Å; K50-V52 VanDerWaalsContact C-N 3.34Å
51G97.7Very high97.2Very high60 Ų6053.5 Ų53.562%0.61931%0.306SS*.THydrogen-bonded Turntrans77.116.7177.300000114.4L47 L48 L49L47-G51 PolarHBondContact O-N 3.36Å; L48-G51 PolarHBondContact O-N 3.28Å; L49-G51 VanDerWaalsContact C-N 3.33Å
52V98.2Very high96.9Very high30 Ų3054.8 Ų54.818%0.18231%0.313CS..  trans-85.9130176.1179.90000109.3L20 L23 L47 K50 A54 V80L20-V52 HydrophobicContact CD2-CG2 4.37Å; L23-V52 HydrophobicContact CD1-CG1 4.4Å; L23-V52 HydrophobicContact CD1-CG2 4.45Å; L47-V52 HydrophobicContact CB-CB 4.12Å; L47-V52 HydrophobicContact CD2-CB 4.27Å; L47-V52 HydrophobicContact CD2-CG1 4.35Å; L47-V52 HydrophobicContact CD2-CG2 4.24Å; L47-V52 WeakPolarHBondContact O-CB 3.43Å; L47-V52 PolarHBondContact O-N 3.46Å; K50-V52 VanDerWaalsContact C-N 3.34Å; V52-A54 PolarHBondContact O-N 3.44Å; V52-A54 VanDerWaalsContact O-N 3.13Å; V52-V80 HydrophobicContact CG1-CB 4.4Å; V52-V80 HydrophobicContact CG1-CG2 3.62Å
53Q98.1Very high96.5Very high88 Ų8854.8 Ų54.841%0.41131%0.314SS..  trans-71.7105.9174.2-63.9-55.6-44.500109.8K78 D79 V80Q53-K78 HydrophobicContact CB-CD 4.29Å; Q53-D79 HydrophobicContact CB-CB 4.48Å; Q53-D79 PolarHBondContact O-N 3.13Å; Q53-V80 PolarHBondContact O-N 3.49Å
54A98.4Very high96.3Very high5 Ų562.3 Ų62.34%0.04135%0.35CS..EExtended strand (participates in β ladder)trans-134.2151.8-17500000112.7L44 L47 V52 V80L44-A54 HydrophobicContact CD1-CB 3.71Å; L44-A54 WeakPolarHBondContact CD1-O 3.44Å; L47-A54 HydrophobicContact CB-CB 3.99Å; L47-A54 HydrophobicContact CD1-CB 3.94Å; V52-A54 PolarHBondContact O-N 3.44Å; V52-A54 VanDerWaalsContact O-N 3.13Å; A54-V80 CarbonylContact C-O 3.54Å; A54-V80 VanDerWaalsContact CA-O 3.22Å; A54-V80 WeakPolarHBondContact CA-O 3.47Å; A54-V80 HydrophobicContact CB-CB 4.11Å
55A97.7Very high96Very high9 Ų965.2 Ų65.27%0.07436%0.362CS..EExtended strand (participates in β ladder)trans-132.8167.5169.600000110.8A69 K78 V80 L81 V82A55-A69 HydrophobicContact CB-CB 3.92Å; A55-K78 HydrophobicContact CB-CB 4.41Å; A55-K78 HydrophobicContact CB-CG 3.97Å; A55-V80 PolarHBondContact N-O 3.21Å; A55-L81 HydrophobicContact CB-CD1 4.12Å; A55-V82 PolarHBondContact O-N 2.88Å
56S97.5Very high95.7Very high8 Ų860.9 Ų60.96%0.05634%0.34CS..EExtended strand (participates in β ladder)trans-132.8150.5179.271.60000114.9L44 V82L44-S56 WeakPolarHBondContact CD2-OG 3.39Å; S56-V82 CarbonylContact C-O 3.52Å; S56-V82 WeakPolarHBondContact CA-O 3.49Å
57I96.5Very high95.4Very high0 Ų063.2 Ų63.20%036%0.355CS..EExtended strand (participates in β ladder)trans-135.6110.9175.3-66.1175.4000109.8R66 A69 L70 L81 V82 A83 T84 A87 L91I57-R66 HydrophobicContact CG2-CG 4.12Å; I57-A69 HydrophobicContact CD1-CB 4.44Å; I57-A69 HydrophobicContact CG1-CB 4.05Å; I57-L70 HydrophobicContact CD1-CB 4.05Å; I57-L81 HydrophobicContact CD1-CD1 4Å; I57-L81 HydrophobicContact CD1-CD2 4.02Å; I57-L81 HydrophobicContact CG1-CD1 4.05Å; I57-V82 PolarHBondContact N-O 2.98Å; I57-A83 HydrophobicContact CB-CB 4.29Å; I57-A83 WeakPolarHBondContact O-CA 3.36Å; I57-T84 PolarHBondContact O-N 3.41Å; I57-T84 VanDerWaalsContact O-N 3.16Å; I57-A87 HydrophobicContact CG2-CB 3.6Å; I57-A87 WeakPolarHBondContact CG2-O 3.42Å; I57-L91 HydrophobicContact CD1-CD1 3.77Å; I57-L91 HydrophobicContact CG2-CD1 4.27Å
58H96.6Very high95.2Very high6 Ų665.4 Ų65.43%0.02837%0.373CS..  trans-147.8169.3174.85897.6000110K37 V40 D41 G60 R61 T84 A87K37-H58 HydrophobicContact CB-CB 4.02Å; K37-H58 WeakPolarHBondContact CB-ND1 3.31Å; V40-H58 HydrophobicContact CG1-CB 4.39Å; D41-H58 IonicContact OD1-CD2 3.28Å; D41-H58 IonicContact OD1-CE1 3.6Å; D41-H58 IonicContact OD1-NE2 2.67Å; D41-H58 PolarHBondContact OD1-NE2 3.23Å; D41-H58 VanDerWaalsContact OD1-NE2 3.1Å; D41-H58 IonicContact OD2-CE1 3.65Å; D41-H58 PolarHBondContact OD2-CE1 3.1Å; D41-H58 VanDerWaalsContact OD2-CE1 3.3Å; D41-H58 IonicContact OD2-NE2 2.68Å; H58-G60 PolarHBondContact ND1-N 3.39Å; H58-G60 PolarHBondContact O-N 3.11Å; H58-R61 PolarHBondContact NE2-NE 3.29Å; H58-R61 PolarHBondContact O-N 3.5Å; H58-T84 HydrophobicContact CB-CG2 3.88Å; H58-A87 VanDerWaalsContact CA-CB 3.46Å
59G93.6Very high95.1Very high76 Ų7661.7 Ų61.778%0.78436%0.355SS*.THydrogen-bonded Turntrans-66.2-1.5-176.100000115.9
60G93.3Very high94.9Very high53 Ų5355.7 Ų55.755%0.54632%0.324SS..THydrogen-bonded Turntrans-89.1-11.3171.800000113.9H58H58-G60 PolarHBondContact ND1-N 3.39Å; H58-G60 PolarHBondContact O-N 3.11Å
61R91.4Very high94.8Very high82 Ų8252.7 Ų52.731%0.30932%0.32SS..SBendtrans-91141.7176.9-57.4-64173.2159.8-2.3110.1D41 H58 E65 R66D41-R61 IonicContact OD1-CZ 2.64Å; D41-R61 IonicContact OD1-NH2 3.19Å; D41-R61 PolarHBondContact OD1-NH2 3.05Å; H58-R61 PolarHBondContact NE2-NE 3.29Å; H58-R61 PolarHBondContact O-N 3.5Å; R61-E65 VanDerWaalsContact CA-OE2 3.24Å; R61-E65 WeakPolarHBondContact CA-OE2 3.13Å; R61-E65 HydrophobicContact CB-CB 4.17Å; R61-E65 WeakPolarHBondContact CB-OE2 3.24Å; R61-R66 HydrophobicContact CB-CG 3.84Å
62N92.1Very high94.7Very high79 Ų7952.8 Ų52.842%0.42231%0.305SS..  trans-72.6168.417572.546.3000111E64 E65 R66N62-E64 VanDerWaalsContact C-N 3.3Å; N62-E64 PolarHBondContact O-N 3.39Å; N62-E64 WeakPolarHBondContact OD1-CB 3.4Å; N62-E64 PolarHBondContact OD1-N 3.36Å; N62-E65 PolarHBondContact N-OE2 3.1Å; N62-E65 VanDerWaalsContact ND2-CD 3.28Å; N62-E65 PolarHBondContact O-N 2.89Å; N62-E65 WeakPolarHBondContact OD1-CG 3.49Å; N62-E65 PolarHBondContact OD1-N 3.31Å; N62-R66 VanDerWaalsContact O-CG 3.26Å; N62-R66 WeakPolarHBondContact O-CG 3.42Å; N62-R66 PolarHBondContact O-N 2.92Å
63Q88.7Confident94.7Very high104 Ų10451.5 Ų51.549%0.48630%0.296SS..Hα-helixtrans-63.4-34.8-175.2-174.260.126.800112.9R66 L67Q63-R66 PolarHBondContact O-N 3.39Å; Q63-L67 HydrophobicContact CG-CD1 4.25Å; Q63-L67 VanDerWaalsContact O-CG 3.31Å; Q63-L67 WeakPolarHBondContact O-CG 3.24Å; Q63-L67 PolarHBondContact O-N 2.79Å; Q63-L67 VanDerWaalsContact O-N 3.1Å
64E93.4Very high94.5Very high159 Ų15951.7 Ų51.774%0.74330%0.297SS*.Hα-helixtrans-67.7-46.5179.2-63.5177.2178.400111N62 R66 L67 A68N62-E64 VanDerWaalsContact C-N 3.3Å; N62-E64 PolarHBondContact O-N 3.39Å; N62-E64 WeakPolarHBondContact OD1-CB 3.4Å; N62-E64 PolarHBondContact OD1-N 3.36Å; E64-R66 VanDerWaalsContact C-N 3.31Å; E64-R66 PolarHBondContact O-N 2.91Å; E64-L67 PolarHBondContact O-N 2.83Å; E64-A68 WeakPolarHBondContact O-CB 3.42Å; E64-A68 PolarHBondContact O-N 2.82Å
65E93.8Very high94.3Very high83 Ų8355.5 Ų55.539%0.38832%0.323SS..Hα-helixtrans-58.6-42.5175-71.2171.1159.300111.7R61 N62 L67 A68 A69R61-E65 VanDerWaalsContact CA-OE2 3.24Å; R61-E65 WeakPolarHBondContact CA-OE2 3.13Å; R61-E65 HydrophobicContact CB-CB 4.17Å; R61-E65 WeakPolarHBondContact CB-OE2 3.24Å; N62-E65 PolarHBondContact N-OE2 3.1Å; N62-E65 VanDerWaalsContact ND2-CD 3.28Å; N62-E65 PolarHBondContact O-N 2.89Å; N62-E65 WeakPolarHBondContact OD1-CG 3.49Å; N62-E65 PolarHBondContact OD1-N 3.31Å; E65-L67 PolarHBondContact O-N 3.32Å; E65-A68 PolarHBondContact O-N 2.93Å; E65-A69 VanDerWaalsContact O-CB 3.31Å; E65-A69 WeakPolarHBondContact O-CB 3.46Å; E65-A69 PolarHBondContact O-N 2.97Å
66R91.9Very high94.2Very high51 Ų5157.4 Ų57.419%0.19234%0.344CS..Hα-helixtrans-63.3-42.1178.3-70.5173.664.2-1533.9111.9I57 R61 N62 Q63 E64 L70 A87I57-R66 HydrophobicContact CG2-CG 4.12Å; R61-R66 HydrophobicContact CB-CG 3.84Å; N62-R66 VanDerWaalsContact O-CG 3.26Å; N62-R66 WeakPolarHBondContact O-CG 3.42Å; N62-R66 PolarHBondContact O-N 2.92Å; Q63-R66 PolarHBondContact O-N 3.39Å; E64-R66 VanDerWaalsContact C-N 3.31Å; E64-R66 PolarHBondContact O-N 2.91Å; R66-L70 WeakPolarHBondContact O-CB 3.31Å; R66-L70 PolarHBondContact O-N 2.88Å; R66-L70 VanDerWaalsContact O-N 3.11Å; R66-A87 PolarHBondContact NH2-O 2.82Å
67L91.9Very high94.2Very high94 Ų9462.3 Ų62.349%0.49237%0.366SS..Hα-helixtrans-71.2-39.7178.9-70.1174.3000111.6Q63 E64 E65 L70 A71Q63-L67 HydrophobicContact CG-CD1 4.25Å; Q63-L67 VanDerWaalsContact O-CG 3.31Å; Q63-L67 WeakPolarHBondContact O-CG 3.24Å; Q63-L67 PolarHBondContact O-N 2.79Å; Q63-L67 VanDerWaalsContact O-N 3.1Å; E64-L67 PolarHBondContact O-N 2.83Å; E65-L67 PolarHBondContact O-N 3.32Å; L67-L70 PolarHBondContact O-N 2.86Å; L67-A71 WeakPolarHBondContact O-CB 3.23Å; L67-A71 PolarHBondContact O-N 2.9Å
68A95.2Very high94.3Very high46 Ų4664 Ų6438%0.3837%0.373SS..Hα-helixtrans-61.7-51174.700000111.5E64 E65 L70 A71 E72E64-A68 WeakPolarHBondContact O-CB 3.42Å; E64-A68 PolarHBondContact O-N 2.82Å; E65-A68 PolarHBondContact O-N 2.93Å; A68-L70 VanDerWaalsContact C-N 3.28Å; A68-L70 PolarHBondContact O-N 2.8Å; A68-A71 PolarHBondContact O-N 2.75Å; A68-A71 VanDerWaalsContact O-N 3.07Å; A68-E72 WeakPolarHBondContact O-CG 3.39Å; A68-E72 PolarHBondContact O-N 2.84Å
69A95.6Very high94.3Very high10 Ų1066.6 Ų66.68%0.08339%0.388CS..Hα-helixtrans-57.5-40.1176.900000112.6A55 I57 E65 F73A55-A69 HydrophobicContact CB-CB 3.92Å; I57-A69 HydrophobicContact CD1-CB 4.44Å; I57-A69 HydrophobicContact CG1-CB 4.05Å; E65-A69 VanDerWaalsContact O-CB 3.31Å; E65-A69 WeakPolarHBondContact O-CB 3.46Å; E65-A69 PolarHBondContact O-N 2.97Å; A69-F73 WeakPolarHBondContact O-CB 3.45Å; A69-F73 PolarHBondContact O-N 3.49Å; A69-F73 VanDerWaalsContact O-N 3.12Å
70L94.1Very high94.5Very high14 Ų1463.1 Ų63.17%0.07335%0.351CS..Hα-helixtrans-67.2-42.4175.8-177.263.3000111.8I57 R66 L67 A68 F73 Q74 L81 L91 F93I57-L70 HydrophobicContact CD1-CB 4.05Å; R66-L70 WeakPolarHBondContact O-CB 3.31Å; R66-L70 PolarHBondContact O-N 2.88Å; R66-L70 VanDerWaalsContact O-N 3.11Å; L67-L70 PolarHBondContact O-N 2.86Å; A68-L70 VanDerWaalsContact C-N 3.28Å; A68-L70 PolarHBondContact O-N 2.8Å; L70-F73 PolarHBondContact O-N 3.01Å; L70-Q74 HydrophobicContact CD1-CG 4.29Å; L70-Q74 HydrophobicContact CG-CG 4.34Å; L70-Q74 WeakPolarHBondContact O-CB 3.49Å; L70-Q74 VanDerWaalsContact O-CG 3.26Å; L70-Q74 WeakPolarHBondContact O-CG 3.4Å; L70-Q74 PolarHBondContact O-N 3.26Å; L70-L81 HydrophobicContact CD1-CD2 4.45Å; L70-L91 HydrophobicContact CD2-CB 4.16Å; L70-L91 HydrophobicContact CD2-CD1 4.24Å; L70-L91 HydrophobicContact CD2-CD2 4.03Å; L70-L91 HydrophobicContact CD2-CG 4.36Å; L70-F93 HydrophobicContact CD1-CD1 3.97Å; L70-F93 HydrophobicContact CD1-CE1 3.95Å
71A94.9Very high94.8Very high50 Ų5060.6 Ų60.641%0.41333%0.325SS..Hα-helixtrans-64.6-44.1179.400000111.9L67 A68 F73 Q74 S75L67-A71 WeakPolarHBondContact O-CB 3.23Å; L67-A71 PolarHBondContact O-N 2.9Å; A68-A71 PolarHBondContact O-N 2.75Å; A68-A71 VanDerWaalsContact O-N 3.07Å; A71-F73 VanDerWaalsContact C-N 3.31Å; A71-F73 PolarHBondContact O-N 3.09Å; A71-Q74 PolarHBondContact O-N 3.13Å; A71-S75 WeakPolarHBondContact O-CB 3.38Å; A71-S75 PolarHBondContact O-N 2.66Å; A71-S75 PolarHBondContact O-OG 2.59Å
72E96.7Very high95.1Very high62 Ų6256.7 Ų56.729%0.2931%0.311SS..Hα-helixtrans-63.3-36.8175.5-65.7173.1-168.200112A68 S75 G76 E77 K78A68-E72 WeakPolarHBondContact O-CG 3.39Å; A68-E72 PolarHBondContact O-N 2.84Å; E72-S75 PolarHBondContact O-OG 3.44Å; E72-G76 PolarHBondContact O-N 3.06Å; E72-E77 HydrophobicContact CB-CB 4.26Å; E72-E77 WeakPolarHBondContact O-CB 3.32Å; E72-E77 PolarHBondContact O-N 3.46Å; E72-K78 HydrophobicContact CB-CG 3.77Å; E72-K78 PolarHBondContact O-N 3.17Å; E72-K78 WeakPolarHBondContact OE2-CE 3.31Å
73F96.9Very high95.4Very high2 Ų253 Ų531%0.00929%0.29CS..Hα-helixtrans-70.4-39173.9-178.2-115.2000112.5P29 V30 A69 L70 A71 G76 K78 L81 F93 P94 I96P29-F73 HydrophobicContact CB-CE1 4.42Å; P29-F73 HydrophobicContact CB-CE2 3.69Å; P29-F73 HydrophobicContact CB-CZ 3.62Å; V30-F73 WeakPolarHBondContact O-CE2 3.35Å; V30-F73 WeakPolarHBondContact O-CZ 3.22Å; A69-F73 WeakPolarHBondContact O-CB 3.45Å; A69-F73 PolarHBondContact O-N 3.49Å; A69-F73 VanDerWaalsContact O-N 3.12Å; L70-F73 PolarHBondContact O-N 3.01Å; A71-F73 VanDerWaalsContact C-N 3.31Å; A71-F73 PolarHBondContact O-N 3.09Å; F73-G76 PolarHBondContact O-N 3.13Å; F73-K78 VanDerWaalsContact CD2-O 3.3Å; F73-K78 WeakPolarHBondContact CD2-O 3.37Å; F73-L81 HydrophobicContact CB-CB 4.37Å; F73-L81 HydrophobicContact CB-CD1 4.45Å; F73-L81 HydrophobicContact CD1-CB 3.83Å; F73-L81 HydrophobicContact CD1-CD2 3.79Å; F73-L81 HydrophobicContact CD1-CG 4.4Å; F73-L81 HydrophobicContact CD2-CB 3.63Å; F73-L81 HydrophobicContact CE1-CB 3.88Å; F73-L81 HydrophobicContact CE1-CD2 4.13Å; F73-L81 HydrophobicContact CE2-CB 3.7Å; F73-L81 HydrophobicContact CG-CB 3.69Å; F73-L81 HydrophobicContact CG-CD2 4.21Å; F73-L81 HydrophobicContact CG-CG 4.4Å; F73-L81 HydrophobicContact CZ-CB 3.8Å; F73-F93 HydrophobicContact CE1-CD1 4.29Å; F73-P94 HydrophobicContact CD1-CG 4.09Å; F73-P94 HydrophobicContact CE1-CG 3.88Å; F73-I96 HydrophobicContact CE1-CG1 4.42Å; F73-I96 HydrophobicContact CZ-CG1 4.49Å
74Q93.9Very high95.8Very high92 Ų9248.6 Ų48.643%0.4327%0.271SS..Hα-helixtrans-68.7-35.8177.2-78.4174.3-2000112.5L70 A71 G76 D92 P94L70-Q74 HydrophobicContact CD1-CG 4.29Å; L70-Q74 HydrophobicContact CG-CG 4.34Å; L70-Q74 WeakPolarHBondContact O-CB 3.49Å; L70-Q74 VanDerWaalsContact O-CG 3.26Å; L70-Q74 WeakPolarHBondContact O-CG 3.4Å; L70-Q74 PolarHBondContact O-N 3.26Å; A71-Q74 PolarHBondContact O-N 3.13Å; Q74-G76 VanDerWaalsContact C-N 3.27Å; Q74-G76 PolarHBondContact O-N 3.3Å; Q74-D92 PolarHBondContact NE2-O 3.18Å; Q74-P94 HydrophobicContact CG-CG 4.49Å
75S95Very high95.7Very high85 Ų8542.4 Ų42.459%0.59424%0.243SC*.Hα-helixtrans-74.8-16.5177.669.80000113.2A71 E72 E77A71-S75 WeakPolarHBondContact O-CB 3.38Å; A71-S75 PolarHBondContact O-N 2.66Å; A71-S75 PolarHBondContact O-OG 2.59Å; E72-S75 PolarHBondContact O-OG 3.44Å; S75-E77 PolarHBondContact OG-N 2.83Å
76G95.6Very high95.4Very high49 Ų4944 Ų4451%0.50526%0.258SS..THydrogen-bonded Turntrans84.611.8-17500000113.9E72 F73 Q74 K78E72-G76 PolarHBondContact O-N 3.06Å; F73-G76 PolarHBondContact O-N 3.13Å; Q74-G76 VanDerWaalsContact C-N 3.27Å; Q74-G76 PolarHBondContact O-N 3.3Å; G76-K78 VanDerWaalsContact C-N 3.31Å
77E97Very high95Very high112 Ų11241.9 Ų41.952%0.52325%0.251SS..SBendtrans-68.9-32.9170.1-177.4176.4165.200111.6E72 S75E72-E77 HydrophobicContact CB-CB 4.26Å; E72-E77 WeakPolarHBondContact O-CB 3.32Å; E72-E77 PolarHBondContact O-N 3.46Å; S75-E77 PolarHBondContact OG-N 2.83Å
78K97.9Very high94.5Very high34 Ų3437.6 Ų37.615%0.14823%0.229CC..  trans-110.2126.2171.3-54.8-63.2177.6-170.50110.1Q53 A55 E72 F73 G76Q53-K78 HydrophobicContact CB-CD 4.29Å; A55-K78 HydrophobicContact CB-CB 4.41Å; A55-K78 HydrophobicContact CB-CG 3.97Å; E72-K78 HydrophobicContact CB-CG 3.77Å; E72-K78 PolarHBondContact O-N 3.17Å; E72-K78 WeakPolarHBondContact OE2-CE 3.31Å; F73-K78 VanDerWaalsContact CD2-O 3.3Å; F73-K78 WeakPolarHBondContact CD2-O 3.37Å; G76-K78 VanDerWaalsContact C-N 3.31Å
79D97.8Very high93.9Very high62 Ų6241.7 Ų41.733%0.33224%0.239SC..SBendtrans-75.1-30.9178.4-73.9-31.6000112.4P28 P29 V30 Q53P28-D79 HydrophobicContact CB-CB 3.79Å; P28-D79 WeakPolarHBondContact CB-OD1 3.36Å; P28-D79 HydrophobicContact CG-CB 3.55Å; P28-D79 VanDerWaalsContact CG-CG 3.41Å; P28-D79 VanDerWaalsContact CG-OD1 3.28Å; P28-D79 WeakPolarHBondContact CG-OD1 3.37Å; P29-D79 WeakPolarHBondContact CA-O 3.47Å; V30-D79 PolarHBondContact N-O 2.95Å; Q53-D79 HydrophobicContact CB-CB 4.48Å; Q53-D79 PolarHBondContact O-N 3.13Å
80V98.5Very high93.2Very high3 Ų345.1 Ų45.12%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-128.1133.5-173.5-173.90000110.8L23 V30 I32 L47 V52 Q53 A54 A55 V82L23-V80 HydrophobicContact CD1-CG2 4.38Å; L23-V80 HydrophobicContact CD2-CG2 3.88Å; V30-V80 HydrophobicContact CB-CG2 4.31Å; V30-V80 WeakPolarHBondContact O-CA 3.46Å; I32-V80 HydrophobicContact CD1-CG1 3.64Å; I32-V80 HydrophobicContact CG1-CG1 3.76Å; L47-V80 HydrophobicContact CD1-CB 4.34Å; L47-V80 HydrophobicContact CD1-CG1 3.84Å; V52-V80 HydrophobicContact CG1-CB 4.4Å; V52-V80 HydrophobicContact CG1-CG2 3.62Å; Q53-V80 PolarHBondContact O-N 3.49Å; A54-V80 CarbonylContact C-O 3.54Å; A54-V80 VanDerWaalsContact CA-O 3.22Å; A54-V80 WeakPolarHBondContact CA-O 3.47Å; A54-V80 HydrophobicContact CB-CB 4.11Å; A55-V80 PolarHBondContact N-O 3.21Å; V80-V82 HydrophobicContact CG1-CG2 4.33Å
81L98.2Very high92.7Very high0 Ų045.8 Ų45.80%028%0.278CS..EExtended strand (participates in β ladder)trans-113.6131167.5-17468.9000109.7V30 L31 I32 A55 I57 L70 F73 F93V30-L81 PolarHBondContact O-N 3.12Å; L31-L81 CarbonylContact C-O 3.49Å; L31-L81 WeakPolarHBondContact CA-O 3.47Å; L31-L81 HydrophobicContact CD1-CB 4.05Å; L31-L81 HydrophobicContact CD1-CD2 4.05Å; L31-L81 HydrophobicContact CD1-CG 4.16Å; L31-L81 WeakPolarHBondContact CD1-O 3.04Å; I32-L81 PolarHBondContact N-O 3.08Å; A55-L81 HydrophobicContact CB-CD1 4.12Å; I57-L81 HydrophobicContact CD1-CD1 4Å; I57-L81 HydrophobicContact CD1-CD2 4.02Å; I57-L81 HydrophobicContact CG1-CD1 4.05Å; L70-L81 HydrophobicContact CD1-CD2 4.45Å; F73-L81 HydrophobicContact CB-CB 4.37Å; F73-L81 HydrophobicContact CB-CD1 4.45Å; F73-L81 HydrophobicContact CD1-CB 3.83Å; F73-L81 HydrophobicContact CD1-CD2 3.79Å; F73-L81 HydrophobicContact CD1-CG 4.4Å; F73-L81 HydrophobicContact CD2-CB 3.63Å; F73-L81 HydrophobicContact CE1-CB 3.88Å; F73-L81 HydrophobicContact CE1-CD2 4.13Å; F73-L81 HydrophobicContact CE2-CB 3.7Å; F73-L81 HydrophobicContact CG-CB 3.69Å; F73-L81 HydrophobicContact CG-CD2 4.21Å; F73-L81 HydrophobicContact CG-CG 4.4Å; F73-L81 HydrophobicContact CZ-CB 3.8Å; L81-F93 HydrophobicContact CD2-CD1 4.06Å; L81-F93 HydrophobicContact CD2-CE1 3.46Å; L81-F93 VanDerWaalsContact CD2-CE1 3.46Å; L81-F93 HydrophobicContact CD2-CZ 4.48Å
82V98.4Very high92.1Very high0 Ų048.8 Ų48.80%029%0.287CS..EExtended strand (participates in β ladder)trans-109.6123.2176.5-166.80000108.9I32 V40 I43 L47 A55 S56 I57 V80I32-V82 HydrophobicContact CB-CG1 4.24Å; I32-V82 HydrophobicContact CB-CG2 4.36Å; I32-V82 HydrophobicContact CD1-CG2 4.49Å; I32-V82 HydrophobicContact CG2-CG1 4.38Å; I32-V82 CarbonylContact O-C 3.54Å; I32-V82 WeakPolarHBondContact O-CA 3.25Å; V40-V82 HydrophobicContact CB-CG1 4.18Å; V40-V82 HydrophobicContact CG1-CB 4.14Å; V40-V82 HydrophobicContact CG1-CG1 3.87Å; V40-V82 HydrophobicContact CG2-CG1 4.17Å; I43-V82 HydrophobicContact CB-CG1 4.05Å; I43-V82 HydrophobicContact CD1-CG1 4.15Å; I43-V82 HydrophobicContact CG2-CG1 3.93Å; I43-V82 HydrophobicContact CG2-CG2 3.8Å; L47-V82 HydrophobicContact CD1-CG2 4.02Å; A55-V82 PolarHBondContact O-N 2.88Å; S56-V82 CarbonylContact C-O 3.52Å; S56-V82 WeakPolarHBondContact CA-O 3.49Å; I57-V82 PolarHBondContact N-O 2.98Å; V80-V82 HydrophobicContact CG1-CG2 4.33Å
83A97.6Very high91.5Very high0 Ų046.3 Ų46.30%028%0.276CS..EExtended strand (participates in β ladder)trans-142.1154.2-17300000114.4L31 I32 F33 A34 I57L31-A83 HydrophobicContact CD1-CB 4.32Å; I32-A83 PolarHBondContact O-N 3.21Å; F33-A83 WeakPolarHBondContact CA-O 3.31Å; A34-A83 PolarHBondContact N-O 3.13Å; A34-A83 VanDerWaalsContact N-O 3.13Å; I57-A83 HydrophobicContact CB-CB 4.29Å; I57-A83 WeakPolarHBondContact O-CA 3.36Å
84T97Very high90.9Very high13 Ų1348 Ų488%0.0829%0.287CS..  trans-86.6157.5162.267.80000111.1A34 V40 I57 H58 V86 A87 S88A34-T84 WeakPolarHBondContact O-CA 3.43Å; V40-T84 HydrophobicContact CG2-CG2 3.7Å; I57-T84 PolarHBondContact O-N 3.41Å; I57-T84 VanDerWaalsContact O-N 3.16Å; H58-T84 HydrophobicContact CB-CG2 3.88Å; T84-V86 VanDerWaalsContact C-N 3.33Å; T84-V86 PolarHBondContact O-N 3Å; T84-A87 PolarHBondContact O-N 2.83Å; T84-A87 WeakPolarHBondContact OG1-CB 3.38Å; T84-A87 PolarHBondContact OG1-N 2.98Å; T84-S88 WeakPolarHBondContact O-CB 3.33Å; T84-S88 PolarHBondContact O-N 3.45Å; T84-S88 VanDerWaalsContact O-N 3.08Å; T84-S88 PolarHBondContact O-OG 3.21Å
85D92.1Very high90.6Very high29 Ų2946.3 Ų46.316%0.15529%0.289CS..Hα-helixtrans-58.4-46.3176.5-65.7-66.8000111.9A87 S88 K89 R114D85-A87 VanDerWaalsContact C-N 3.29Å; D85-A87 PolarHBondContact O-N 2.85Å; D85-S88 WeakPolarHBondContact CA-OG 3.49Å; D85-S88 PolarHBondContact O-N 2.9Å; D85-S88 PolarHBondContact O-OG 3.38Å; D85-K89 WeakPolarHBondContact O-CG 3.5Å; D85-K89 PolarHBondContact O-N 3.05Å; D85-R114 VanDerWaalsContact CG-NE 3.35Å; D85-R114 WeakPolarHBondContact OD1-CG 3.42Å; D85-R114 IonicContact OD1-CZ 3.17Å; D85-R114 IonicContact OD1-NE 3.52Å; D85-R114 PolarHBondContact OD1-NE 3.49Å; D85-R114 IonicContact OD1-NH2 3.55Å; D85-R114 IonicContact OD2-CZ 2.84Å; D85-R114 VanDerWaalsContact OD2-CZ 3.28Å; D85-R114 IonicContact OD2-NE 3.61Å; D85-R114 PolarHBondContact OD2-NE 3.38Å; D85-R114 IonicContact OD2-NH2 2.87Å; D85-R114 PolarHBondContact OD2-NH2 3.19Å
86V87.1Confident90.6Very high117 Ų11742.5 Ų42.571%0.70926%0.262SS*.Hα-helixtrans-60.8-42.7-176.7179.50000110.8T84T84-V86 VanDerWaalsContact C-N 3.33Å; T84-V86 PolarHBondContact O-N 3Å
87A83Confident90.6Very high5 Ų545 Ų454%0.04126%0.258CS..Hα-helixtrans-80.2-18.1-17600000113.5I57 H58 R66 T84 D85I57-A87 HydrophobicContact CG2-CB 3.6Å; I57-A87 WeakPolarHBondContact CG2-O 3.42Å; H58-A87 VanDerWaalsContact CA-CB 3.46Å; R66-A87 PolarHBondContact NH2-O 2.82Å; T84-A87 PolarHBondContact O-N 2.83Å; T84-A87 WeakPolarHBondContact OG1-CB 3.38Å; T84-A87 PolarHBondContact OG1-N 2.98Å; D85-A87 VanDerWaalsContact C-N 3.29Å; D85-A87 PolarHBondContact O-N 2.85Å
88S81Confident90.7Very high5 Ų539.6 Ų39.64%0.03523%0.233CC..Hα-helixtrans-94.9-12.3177.558.30000114.2F33 T84 D85 G90 L91F33-S88 WeakPolarHBondContact CE1-OG 3.42Å; T84-S88 WeakPolarHBondContact O-CB 3.33Å; T84-S88 PolarHBondContact O-N 3.45Å; T84-S88 VanDerWaalsContact O-N 3.08Å; T84-S88 PolarHBondContact O-OG 3.21Å; D85-S88 WeakPolarHBondContact CA-OG 3.49Å; D85-S88 PolarHBondContact O-N 2.9Å; D85-S88 PolarHBondContact O-OG 3.38Å; S88-G90 PolarHBondContact O-N 2.78Å; S88-L91 WeakPolarHBondContact O-CB 3.34Å; S88-L91 PolarHBondContact O-N 2.68Å
89K84.2Confident90.7Very high132 Ų13238 Ų3857%0.57423%0.226SC*.THydrogen-bonded Turntrans-58131.1175-84.5173.2-172.8-176.10110.6D85 L91D85-K89 WeakPolarHBondContact O-CG 3.5Å; D85-K89 PolarHBondContact O-N 3.05Å; K89-L91 PolarHBondContact O-N 2.88Å
90G80.2Confident90.7Very high82 Ų8235 Ų3585%0.84521%0.211SC*.THydrogen-bonded Turntrans80-6.9179.900000115.4S88S88-G90 PolarHBondContact O-N 2.78Å
91L82.9Confident90.7Very high28 Ų2834.9 Ų34.915%0.14721%0.21CC..  trans-77138.2175.6-55.9-173.7000110.7I57 L70 S88 K89 F93I57-L91 HydrophobicContact CD1-CD1 3.77Å; I57-L91 HydrophobicContact CG2-CD1 4.27Å; L70-L91 HydrophobicContact CD2-CB 4.16Å; L70-L91 HydrophobicContact CD2-CD1 4.24Å; L70-L91 HydrophobicContact CD2-CD2 4.03Å; L70-L91 HydrophobicContact CD2-CG 4.36Å; S88-L91 WeakPolarHBondContact O-CB 3.34Å; S88-L91 PolarHBondContact O-N 2.68Å; K89-L91 PolarHBondContact O-N 2.88Å; L91-F93 HydrophobicContact CB-CE1 4.26Å; L91-F93 HydrophobicContact CB-CE2 4.01Å; L91-F93 HydrophobicContact CB-CZ 3.82Å; L91-F93 HydrophobicContact CD1-CE1 4.38Å; L91-F93 HydrophobicContact CD1-CZ 4.1Å
92D84.1Confident90.7Very high112 Ų11234.9 Ų34.960%0.59921%0.21SC*.  trans-89.9113.3170.4-167.628.1000109.4Q74Q74-D92 PolarHBondContact NE2-O 3.18Å
93F84Confident90.7Very high10 Ų1035.5 Ų35.54%0.04421%0.213CC..  trans-93.8150-179.7-66.6-70.9000110L31 L70 F73 L81 L91 I96L31-F93 HydrophobicContact CD1-CE1 4.41Å; L31-F93 HydrophobicContact CD2-CD1 4.49Å; L31-F93 HydrophobicContact CD2-CD2 4.35Å; L31-F93 HydrophobicContact CD2-CE1 4.44Å; L31-F93 HydrophobicContact CD2-CE2 4.26Å; L31-F93 HydrophobicContact CD2-CG 4.45Å; L31-F93 HydrophobicContact CD2-CZ 4.31Å; L70-F93 HydrophobicContact CD1-CD1 3.97Å; L70-F93 HydrophobicContact CD1-CE1 3.95Å; F73-F93 HydrophobicContact CE1-CD1 4.29Å; L81-F93 HydrophobicContact CD2-CD1 4.06Å; L81-F93 HydrophobicContact CD2-CE1 3.46Å; L81-F93 VanDerWaalsContact CD2-CE1 3.46Å; L81-F93 HydrophobicContact CD2-CZ 4.48Å; L91-F93 HydrophobicContact CB-CE1 4.26Å; L91-F93 HydrophobicContact CB-CE2 4.01Å; L91-F93 HydrophobicContact CB-CZ 3.82Å; L91-F93 HydrophobicContact CD1-CE1 4.38Å; L91-F93 HydrophobicContact CD1-CZ 4.1Å; F93-I96 HydrophobicContact CB-CD1 3.5Å; F93-I96 HydrophobicContact CB-CG1 4.23Å; F93-I96 HydrophobicContact CD1-CD1 4.39Å; F93-I96 HydrophobicContact CD2-CD1 4.47Å; F93-I96 HydrophobicContact CG-CD1 3.88Å
94P84.4Confident90.6Very high37 Ų3736.1 Ų36.124%0.2422%0.216CC..  trans-62.7179.9171.330.8-35.6000110.4P29 F73 Q74 I96P29-P94 HydrophobicContact CG-CG 4.33Å; F73-P94 HydrophobicContact CD1-CG 4.09Å; F73-P94 HydrophobicContact CE1-CG 3.88Å; Q74-P94 HydrophobicContact CG-CG 4.49Å; P94-I96 PolarHBondContact O-N 2.91Å
95A87.2Confident90.6Very high57 Ų5735.6 Ų35.647%0.47121%0.213SC..  trans-66.383174.100000111.4K97A95-K97 PolarHBondContact O-N 3.22Å
96I94.7Very high90.6Very high6 Ų642 Ų423%0.03124%0.242CC..BIsolated β-bridgetrans-61.1129.3179.4-67.6158.1000109.5L31 F73 F93 P94 H98 V99 R117 T118L31-I96 HydrophobicContact CB-CD1 3.74Å; L31-I96 HydrophobicContact CB-CG1 4.27Å; L31-I96 HydrophobicContact CB-CG2 4.09Å; L31-I96 HydrophobicContact CD2-CD1 3.54Å; L31-I96 HydrophobicContact CG-CD1 4.28Å; F73-I96 HydrophobicContact CE1-CG1 4.42Å; F73-I96 HydrophobicContact CZ-CG1 4.49Å; F93-I96 HydrophobicContact CB-CD1 3.5Å; F93-I96 HydrophobicContact CB-CG1 4.23Å; F93-I96 HydrophobicContact CD1-CD1 4.39Å; F93-I96 HydrophobicContact CD2-CD1 4.47Å; F93-I96 HydrophobicContact CG-CD1 3.88Å; P94-I96 PolarHBondContact O-N 2.91Å; I96-H98 WeakPolarHBondContact CG2-O 3.41Å; I96-V99 HydrophobicContact CG2-CG2 4.05Å; I96-R117 HydrophobicContact CD1-CB 3.79Å; I96-T118 VanDerWaalsContact O-CB 3.28Å; I96-T118 WeakPolarHBondContact O-CB 3.45Å; I96-T118 PolarHBondContact O-OG1 3.49Å
97K95.8Very high90.9Very high100 Ų10038.9 Ų38.944%0.43522%0.221SC..SBendtrans-84.9-31.8176.9-69.6-176.2-169.21540112A27 P28 P29 A95 T118 R126A27-K97 HydrophobicContact CB-CD 4.42Å; A27-K97 WeakPolarHBondContact O-CD 3.39Å; P28-K97 VanDerWaalsContact O-CD 3.29Å; P28-K97 WeakPolarHBondContact O-CD 3.35Å; P28-K97 VanDerWaalsContact O-CE 3.25Å; P28-K97 WeakPolarHBondContact O-CE 3.39Å; P28-K97 PolarHBondContact O-NZ 3.46Å; P29-K97 PolarHBondContact O-N 3.39Å; A95-K97 PolarHBondContact O-N 3.22Å; K97-T118 PolarHBondContact O-OG1 2.9Å; K97-R126 PolarHBondContact O-N 3.22Å
98H97.6Very high91.5Very high0 Ų039.2 Ų39.20%022%0.222CC..EExtended strand (participates in β ladder)trans-143.5127.2-176.5-166.2175.4000112.1A22 T26 V30 L31 I96 R126 T128A22-H98 PolarHBondContact O-CE1 3.5Å; A22-H98 PolarHBondContact O-ND1 2.98Å; T26-H98 HydrophobicContact CG2-CB 3.9Å; T26-H98 WeakPolarHBondContact OG1-CB 3.44Å; T26-H98 PolarHBondContact OG1-ND1 3.45Å; V30-H98 WeakPolarHBondContact CA-O 3.41Å; V30-H98 HydrophobicContact CG1-CB 4.16Å; V30-H98 WeakPolarHBondContact CG1-O 3.38Å; V30-H98 HydrophobicContact CG2-CB 4.14Å; L31-H98 PolarHBondContact N-O 3.24Å; I96-H98 WeakPolarHBondContact CG2-O 3.41Å; H98-R126 CarbonylContact C-O 3.55Å; H98-R126 VanDerWaalsContact CA-O 3.23Å; H98-R126 WeakPolarHBondContact CA-O 3.26Å; H98-R126 PolarHBondContact CD2-O 3.35Å; H98-R126 VanDerWaalsContact CD2-O 3.32Å; H98-T128 PolarHBondContact CE1-OG1 3.42Å; H98-T128 WeakPolarHBondContact NE2-CB 3.32Å; H98-T128 PolarHBondContact NE2-OG1 3.36Å
99V97.8Very high92Very high0 Ų043 Ų430%024%0.239CC..EExtended strand (participates in β ladder)trans-99.6126.2167.1174.70000108.7L31 F33 I96 R117 T118 R126 A127 T128L31-V99 CarbonylContact O-C 3.5Å; L31-V99 VanDerWaalsContact O-CA 3.32Å; L31-V99 WeakPolarHBondContact O-CA 3.39Å; F33-V99 HydrophobicContact CD2-CG1 3.9Å; F33-V99 HydrophobicContact CE2-CG1 4.14Å; I96-V99 HydrophobicContact CG2-CG2 4.05Å; V99-R117 HydrophobicContact CG2-CB 3.89Å; V99-T118 HydrophobicContact CB-CG2 4.46Å; V99-T118 HydrophobicContact CG2-CG2 3.91Å; V99-R126 PolarHBondContact N-O 3.34Å; V99-A127 CarbonylContact O-C 3.54Å; V99-A127 VanDerWaalsContact O-CA 3.23Å; V99-A127 WeakPolarHBondContact O-CA 3.46Å; V99-T128 PolarHBondContact O-N 3.15Å
100I98.6Very high92.5Very high0 Ų038.6 Ų38.60%022%0.222CC..EExtended strand (participates in β ladder)trans-111.5112.8172.3-58.3172.1000107.9A22 L23 V30 L31 I32 F33 Y102 T128 F130A22-I100 HydrophobicContact CB-CD1 3.68Å; A22-I100 HydrophobicContact CB-CG1 4.23Å; L23-I100 HydrophobicContact CD2-CD1 3.91Å; L23-I100 HydrophobicContact CG-CD1 4.32Å; V30-I100 HydrophobicContact CG1-CD1 3.73Å; V30-I100 HydrophobicContact CG1-CG1 4.01Å; L31-I100 PolarHBondContact O-N 2.98Å; I32-I100 CarbonylContact C-O 3.59Å; I32-I100 VanDerWaalsContact CA-O 3.25Å; I32-I100 WeakPolarHBondContact CA-O 3.32Å; I32-I100 HydrophobicContact CD1-CD1 4.35Å; I32-I100 HydrophobicContact CG1-CB 4.13Å; I32-I100 HydrophobicContact CG1-CD1 4.28Å; I32-I100 HydrophobicContact CG2-CB 4.32Å; I32-I100 HydrophobicContact CG2-CG2 4.37Å; F33-I100 PolarHBondContact N-O 2.77Å; I100-Y102 PolarHBondContact O-N 3.27Å; I100-T128 CarbonylContact C-O 3.59Å; I100-T128 VanDerWaalsContact CA-O 3.31Å; I100-T128 WeakPolarHBondContact CA-O 3.37Å; I100-F130 HydrophobicContact CG2-CE2 4.2Å; I100-F130 HydrophobicContact CG2-CZ 4.04Å
101N98.6Very high93.3Very high0 Ų034.7 Ų34.70%018%0.182CC..EExtended strand (participates in β ladder)trans-86.398.2169.8-61.6-56.4000107.8R114 T128 T129 F130N101-R114 WeakPolarHBondContact OD1-CB 3.09Å; N101-R114 WeakPolarHBondContact OD1-CD 3.39Å; N101-T128 PolarHBondContact N-O 2.99Å; N101-T129 HydrophobicContact CB-CG2 3.88Å; N101-T129 WeakPolarHBondContact CB-OG1 3.02Å; N101-T129 PolarHBondContact ND2-OG1 3.45Å; N101-F130 PolarHBondContact O-N 3.08Å
102Y98.6Very high93.8Very high0 Ų035.8 Ų35.80%019%0.19CC..SBendtrans-63.2-37.7173.6175.6-95.4000110.7K15 V16 I19 F33 A34 D39 I43 I100 F130K15-Y102 HydrophobicContact CB-CD2 3.9Å; K15-Y102 HydrophobicContact CB-CE2 3.28Å; K15-Y102 HydrophobicContact CD-CD1 4.45Å; K15-Y102 HydrophobicContact CD-CD2 4.31Å; K15-Y102 HydrophobicContact CD-CE1 4.16Å; K15-Y102 HydrophobicContact CD-CE2 4.05Å; K15-Y102 WeakPolarHBondContact CD-O 3.45Å; K15-Y102 WeakPolarHBondContact CE-O 3.34Å; K15-Y102 HydrophobicContact CG-CE2 4.33Å; K15-Y102 PolarHBondContact NZ-O 3.07Å; V16-Y102 HydrophobicContact CG2-CE2 3.79Å; V16-Y102 WeakPolarHBondContact CG2-OH 3.22Å; I19-Y102 HydrophobicContact CD1-CD2 3.83Å; I19-Y102 HydrophobicContact CD1-CE2 4.23Å; I19-Y102 HydrophobicContact CG1-CD2 4.27Å; F33-Y102 VanDerWaalsContact O-CB 3.26Å; F33-Y102 WeakPolarHBondContact O-CB 3.01Å; F33-Y102 PolarHBondContact O-N 3.47Å; A34-Y102 HydrophobicContact CB-CD1 3.9Å; A34-Y102 HydrophobicContact CB-CG 4.44Å; D39-Y102 HydrophobicContact CB-CD1 4.45Å; D39-Y102 HydrophobicContact CB-CE1 3.95Å; D39-Y102 PolarHBondContact OD1-OH 2.86Å; I43-Y102 HydrophobicContact CD1-CD1 3.92Å; I43-Y102 HydrophobicContact CD1-CD2 3.73Å; I43-Y102 HydrophobicContact CD1-CE1 4.26Å; I43-Y102 HydrophobicContact CD1-CE2 4.03Å; I43-Y102 HydrophobicContact CD1-CG 3.65Å; I43-Y102 HydrophobicContact CG1-CD2 4.26Å; I43-Y102 HydrophobicContact CG1-CE2 4.17Å; I100-Y102 PolarHBondContact O-N 3.27Å; Y102-F130 HydrophobicContact CD2-CD2 4.23Å; Y102-F130 HydrophobicContact CD2-CE2 4.43Å
103D97.6Very high94.1Very high13 Ų1334.9 Ų34.97%0.0718%0.182CC..SBendtrans-114.7138169.3-60.1-46.5000110.3K15 E35 R114K15-D103 IonicContact NZ-OD1 2.77Å; K15-D103 PolarHBondContact NZ-OD1 3.41Å; E35-D103 HydrophobicContact CG-CB 3.88Å; E35-D103 PolarHBondContact N-OD2 3.07Å; D103-R114 PolarHBondContact O-NH1 2.88Å
104M96.9Very high94.7Very high12 Ų1234.5 Ų34.56%0.05918%0.18CC..  trans-68.6126.2164.5-176.661.4-166.700108.4I108 Y111 T129 I131 V139 L143M104-I108 HydrophobicContact CE-CD1 4.13Å; M104-Y111 HydrophobicContact CE-CD2 3.82Å; M104-Y111 HydrophobicContact CE-CG 3.94Å; M104-Y111 HydrophobicContact SD-CD2 3.72Å; M104-Y111 HydrophobicContact SD-CE2 4.35Å; M104-Y111 HydrophobicContact SD-CG 4.43Å; M104-T129 HydrophobicContact CB-CG2 4.4Å; M104-T129 HydrophobicContact SD-CG2 3.77Å; M104-I131 HydrophobicContact CB-CG2 3.85Å; M104-I131 HydrophobicContact CG-CG2 4.24Å; M104-I131 HydrophobicContact SD-CG2 4.48Å; M104-V139 HydrophobicContact CE-CG1 3.4Å; M104-V139 HydrophobicContact CG-CG1 3.95Å; M104-L143 HydrophobicContact CE-CB 4.18Å; M104-L143 HydrophobicContact CE-CD1 4.36Å; M104-L143 HydrophobicContact CE-CD2 4.11Å; M104-L143 HydrophobicContact CE-CG 4.45Å; M104-L143 HydrophobicContact SD-CD2 3.99Å
105P95.7Very high95.2Very high3 Ų332.8 Ų32.82%0.01917%0.169CC..  trans-59.5155.5175-13.523.6000112.1E35 D107 N110 V139E35-P105 WeakPolarHBondContact OE1-CA 3.16Å; P105-D107 PolarHBondContact O-N 3.02Å; P105-N110 HydrophobicContact CB-CB 3.8Å; P105-N110 HydrophobicContact CG-CB 4.28Å; P105-V139 WeakPolarHBondContact O-CG1 3.31Å
106E93Very high95.4Very high162 Ų16231.4 Ų31.476%0.75716%0.16SC*.SBendtrans-63.4-15.2174.9-62.2-176.8167.300114.5V139E106-V139 WeakPolarHBondContact O-CG2 3.5Å
107D93.3Very high95.3Very high52 Ų5233.9 Ų33.928%0.27817%0.169SC..SBendtrans-140.5151.6178.265.787.8000112.6P105 E109 N110 Y111P105-D107 PolarHBondContact O-N 3.02Å; D107-E109 VanDerWaalsContact C-N 3.32Å; D107-E109 PolarHBondContact O-N 2.95Å; D107-E109 WeakPolarHBondContact OD1-CB 3.31Å; D107-E109 PolarHBondContact OD1-N 3.39Å; D107-N110 PolarHBondContact O-N 3.48Å; D107-N110 VanDerWaalsContact OD1-CB 3.3Å; D107-N110 WeakPolarHBondContact OD1-CB 3.25Å; D107-N110 VanDerWaalsContact OD1-CG 3.31Å; D107-N110 PolarHBondContact OD1-N 2.95Å; D107-N110 PolarHBondContact OD1-ND2 3.37Å; D107-N110 PolarHBondContact OD2-ND2 3.27Å; D107-Y111 PolarHBondContact O-N 2.93Å
108I94.5Very high95.2Very high12 Ų1229.4 Ų29.46%0.06215%0.15CC..Hα-helixtrans-72.1-27.5-175.2-164.764.3000112.2M104 Y111 V112 D142 L143 L146M104-I108 HydrophobicContact CE-CD1 4.13Å; I108-Y111 HydrophobicContact CD1-CD1 3.88Å; I108-Y111 HydrophobicContact CD1-CG 4.18Å; I108-Y111 WeakPolarHBondContact O-CB 3.5Å; I108-Y111 PolarHBondContact O-N 3.35Å; I108-V112 WeakPolarHBondContact O-CG2 3.25Å; I108-V112 PolarHBondContact O-N 3.47Å; I108-D142 HydrophobicContact CB-CB 3.91Å; I108-D142 HydrophobicContact CD1-CB 4.32Å; I108-D142 HydrophobicContact CG1-CB 4.01Å; I108-D142 HydrophobicContact CG2-CB 4.15Å; I108-L143 HydrophobicContact CD1-CB 4.11Å; I108-L143 HydrophobicContact CD1-CD1 4.36Å; I108-L146 HydrophobicContact CD1-CD1 3.94Å; I108-L146 HydrophobicContact CG1-CD1 3.86Å
109E93.1Very high94.7Very high84 Ų8430.2 Ų30.239%0.39316%0.159SC..Hα-helixtrans-62.9-44.7175.9-68.484.1170.600111.4D107 Y111 V112 H113D107-E109 VanDerWaalsContact C-N 3.32Å; D107-E109 PolarHBondContact O-N 2.95Å; D107-E109 WeakPolarHBondContact OD1-CB 3.31Å; D107-E109 PolarHBondContact OD1-N 3.39Å; E109-Y111 VanDerWaalsContact C-N 3.33Å; E109-Y111 PolarHBondContact O-N 3.3Å; E109-V112 WeakPolarHBondContact O-CB 2.89Å; E109-V112 PolarHBondContact O-N 2.95Å; E109-H113 VanDerWaalsContact O-CG 3.25Å; E109-H113 PolarHBondContact O-N 3.13Å; E109-H113 PolarHBondContact O-ND1 3.16Å
110N93.8Very high93.9Very high41 Ų4135 Ų3522%0.21918%0.176CC..Hα-helixtrans-65.2-37174.6-79.5-27.8000111.7P105 D107 V112 H113 R114P105-N110 HydrophobicContact CB-CB 3.8Å; P105-N110 HydrophobicContact CG-CB 4.28Å; D107-N110 PolarHBondContact O-N 3.48Å; D107-N110 VanDerWaalsContact OD1-CB 3.3Å; D107-N110 WeakPolarHBondContact OD1-CB 3.25Å; D107-N110 VanDerWaalsContact OD1-CG 3.31Å; D107-N110 PolarHBondContact OD1-N 2.95Å; D107-N110 PolarHBondContact OD1-ND2 3.37Å; D107-N110 PolarHBondContact OD2-ND2 3.27Å; N110-V112 VanDerWaalsContact C-N 3.35Å; N110-V112 PolarHBondContact O-N 2.96Å; N110-H113 PolarHBondContact O-N 2.83Å; N110-R114 WeakPolarHBondContact O-CG 3.36Å; N110-R114 PolarHBondContact O-N 3.11Å
111Y96.1Very high92.8Very high0 Ų042.4 Ų42.40%021%0.211CC..Hα-helixtrans-57.1-49.5171.3169.3-90.6000111.1Q5 M104 D107 I108 E109 H113 R114 I115 T129 L143 L146Q5-Y111 PolarHBondContact OE1-OH 3.46Å; M104-Y111 HydrophobicContact CE-CD2 3.82Å; M104-Y111 HydrophobicContact CE-CG 3.94Å; M104-Y111 HydrophobicContact SD-CD2 3.72Å; M104-Y111 HydrophobicContact SD-CE2 4.35Å; M104-Y111 HydrophobicContact SD-CG 4.43Å; D107-Y111 PolarHBondContact O-N 2.93Å; I108-Y111 HydrophobicContact CD1-CD1 3.88Å; I108-Y111 HydrophobicContact CD1-CG 4.18Å; I108-Y111 WeakPolarHBondContact O-CB 3.5Å; I108-Y111 PolarHBondContact O-N 3.35Å; E109-Y111 VanDerWaalsContact C-N 3.33Å; E109-Y111 PolarHBondContact O-N 3.3Å; Y111-H113 VanDerWaalsContact C-N 3.32Å; Y111-H113 PolarHBondContact O-N 2.87Å; Y111-R114 PolarHBondContact O-N 2.89Å; Y111-I115 HydrophobicContact CD1-CD1 4.33Å; Y111-I115 HydrophobicContact CD2-CG2 4.37Å; Y111-I115 HydrophobicContact CE1-CD1 3.64Å; Y111-I115 HydrophobicContact CE1-CG1 4.22Å; Y111-I115 HydrophobicContact CE1-CG2 4.22Å; Y111-I115 HydrophobicContact CE2-CG2 3.97Å; Y111-I115 WeakPolarHBondContact O-CG1 3.28Å; Y111-I115 PolarHBondContact O-N 2.78Å; Y111-T129 HydrophobicContact CE2-CG2 4.32Å; Y111-T129 WeakPolarHBondContact CE2-OG1 3.44Å; Y111-L143 HydrophobicContact CD1-CD1 4.23Å; Y111-L143 HydrophobicContact CD2-CD1 4.24Å; Y111-L143 HydrophobicContact CE1-CD1 3.76Å; Y111-L143 HydrophobicContact CE2-CD1 3.71Å; Y111-L143 HydrophobicContact CG-CD1 4.47Å; Y111-L143 VanDerWaalsContact CZ-CD1 3.47Å; Y111-L146 HydrophobicContact CD1-CD1 4.11Å; Y111-L146 HydrophobicContact CE1-CD1 4.15Å; Y111-L146 HydrophobicContact CE1-CD2 3.89Å
112V94.2Very high91.7Very high51 Ų5151 Ų5131%0.30925%0.251SS..Hα-helixtrans-59.2-42.1176.9172.50000111.5I108 E109 N110 I115 G116 L146I108-V112 WeakPolarHBondContact O-CG2 3.25Å; I108-V112 PolarHBondContact O-N 3.47Å; E109-V112 WeakPolarHBondContact O-CB 2.89Å; E109-V112 PolarHBondContact O-N 2.95Å; N110-V112 VanDerWaalsContact C-N 3.35Å; N110-V112 PolarHBondContact O-N 2.96Å; V112-I115 WeakPolarHBondContact O-CG1 3.05Å; V112-G116 PolarHBondContact O-N 3.34Å; V112-L146 HydrophobicContact CG2-CD1 3.48Å; V112-L146 VanDerWaalsContact CG2-CD1 3.48Å
113H91.5Very high90.9Very high93 Ų9357.9 Ų57.943%0.43128%0.281SS..Hα-helixtrans-63.3-40.3176.6-67.2147.1000113E109 N110 Y111 R117E109-H113 VanDerWaalsContact O-CG 3.25Å; E109-H113 PolarHBondContact O-N 3.13Å; E109-H113 PolarHBondContact O-ND1 3.16Å; N110-H113 PolarHBondContact O-N 2.83Å; Y111-H113 VanDerWaalsContact C-N 3.32Å; Y111-H113 PolarHBondContact O-N 2.87Å; H113-R117 PolarHBondContact O-NE 2.93Å
114R95.2Very high90.5Very high2 Ų266.4 Ų66.41%0.00832%0.317CS..Hα-helixtrans-66.3-52.3177.2-71.8-173.5-175.5175.99.1110.8F33 D85 N101 D103 N110 Y111 G116 R117F33-R114 HydrophobicContact CB-CG 4.5Å; F33-R114 HydrophobicContact CD1-CG 4.16Å; F33-R114 HydrophobicContact CD2-CB 3.79Å; F33-R114 HydrophobicContact CD2-CG 3.68Å; F33-R114 HydrophobicContact CE1-CG 4.25Å; F33-R114 HydrophobicContact CE2-CB 3.77Å; F33-R114 HydrophobicContact CE2-CG 3.78Å; F33-R114 HydrophobicContact CG-CB 4.46Å; F33-R114 HydrophobicContact CG-CG 3.87Å; F33-R114 HydrophobicContact CZ-CB 4.44Å; F33-R114 HydrophobicContact CZ-CG 4.06Å; D85-R114 VanDerWaalsContact CG-NE 3.35Å; D85-R114 WeakPolarHBondContact OD1-CG 3.42Å; D85-R114 IonicContact OD1-CZ 3.17Å; D85-R114 IonicContact OD1-NE 3.52Å; D85-R114 PolarHBondContact OD1-NE 3.49Å; D85-R114 IonicContact OD1-NH2 3.55Å; D85-R114 IonicContact OD2-CZ 2.84Å; D85-R114 VanDerWaalsContact OD2-CZ 3.28Å; D85-R114 IonicContact OD2-NE 3.61Å; D85-R114 PolarHBondContact OD2-NE 3.38Å; D85-R114 IonicContact OD2-NH2 2.87Å; D85-R114 PolarHBondContact OD2-NH2 3.19Å; N101-R114 WeakPolarHBondContact OD1-CB 3.09Å; N101-R114 WeakPolarHBondContact OD1-CD 3.39Å; D103-R114 PolarHBondContact O-NH1 2.88Å; N110-R114 WeakPolarHBondContact O-CG 3.36Å; N110-R114 PolarHBondContact O-N 3.11Å; Y111-R114 PolarHBondContact O-N 2.89Å; R114-G116 PolarHBondContact O-N 2.82Å; R114-R117 VanDerWaalsContact O-CB 3.24Å; R114-R117 WeakPolarHBondContact O-CB 3.48Å; R114-R117 WeakPolarHBondContact O-CG 3.33Å; R114-R117 PolarHBondContact O-N 2.89Å
115I94.9Very high90.4Very high0 Ų066 Ų660%032%0.317CS..Hα-helixtrans-68.4-24.8-179.367.7159.9000112.5M1 Q5 Y111 V112 R117 T118 A127M1-I115 HydrophobicContact CE-CD1 3.48Å; M1-I115 VanDerWaalsContact CE-CD1 3.48Å; M1-I115 HydrophobicContact CE-CG1 3.55Å; M1-I115 HydrophobicContact SD-CD1 3.7Å; M1-I115 HydrophobicContact SD-CG1 4.44Å; Q5-I115 HydrophobicContact CG-CD1 4.01Å; Q5-I115 VanDerWaalsContact OE1-CD1 3.3Å; Y111-I115 HydrophobicContact CD1-CD1 4.33Å; Y111-I115 HydrophobicContact CD2-CG2 4.37Å; Y111-I115 HydrophobicContact CE1-CD1 3.64Å; Y111-I115 HydrophobicContact CE1-CG1 4.22Å; Y111-I115 HydrophobicContact CE1-CG2 4.22Å; Y111-I115 HydrophobicContact CE2-CG2 3.97Å; Y111-I115 WeakPolarHBondContact O-CG1 3.28Å; Y111-I115 PolarHBondContact O-N 2.78Å; V112-I115 WeakPolarHBondContact O-CG1 3.05Å; I115-R117 PolarHBondContact O-N 3.25Å; I115-R117 VanDerWaalsContact O-N 3.13Å; I115-T118 VanDerWaalsContact O-CG2 3.25Å; I115-T118 WeakPolarHBondContact O-CG2 3.48Å; I115-T118 PolarHBondContact O-N 3.3Å; I115-A127 HydrophobicContact CB-CB 3.83Å; I115-A127 HydrophobicContact CG2-CB 3.43Å; I115-A127 VanDerWaalsContact CG2-CB 3.43Å
116G92.2Very high90.5Very high28 Ų2869.4 Ų69.429%0.28933%0.329SS..THydrogen-bonded Turntrans-67.2-3.1172.300000114.8V112 R114 T118V112-G116 PolarHBondContact O-N 3.34Å; R114-G116 PolarHBondContact O-N 2.82Å; G116-T118 VanDerWaalsContact C-N 3.28Å
117R92.2Very high90.7Very high59 Ų5961.7 Ų61.722%0.22329%0.293CS..THydrogen-bonded Turntrans-74.3-20.2170.5-58.1-68.3151.9176.91.5112.5L31 F33 I96 V99 H113 R114 I115L31-R117 HydrophobicContact CD2-CB 4.1Å; L31-R117 HydrophobicContact CD2-CG 4.07Å; F33-R117 HydrophobicContact CE2-CG 4.14Å; F33-R117 HydrophobicContact CZ-CG 4.16Å; I96-R117 HydrophobicContact CD1-CB 3.79Å; V99-R117 HydrophobicContact CG2-CB 3.89Å; H113-R117 PolarHBondContact O-NE 2.93Å; R114-R117 VanDerWaalsContact O-CB 3.24Å; R114-R117 WeakPolarHBondContact O-CB 3.48Å; R114-R117 WeakPolarHBondContact O-CG 3.33Å; R114-R117 PolarHBondContact O-N 2.89Å; I115-R117 PolarHBondContact O-N 3.25Å; I115-R117 VanDerWaalsContact O-N 3.13Å
118T93.4Very high90.9Very high5 Ų559.2 Ų59.23%0.03128%0.28CS..BIsolated β-bridgetrans-110.7171.9172.7-169.50000112V3 I96 K97 V99 I115 G116 G125 R126V3-T118 HydrophobicContact CG1-CG2 3.73Å; V3-T118 HydrophobicContact CG2-CG2 3.96Å; I96-T118 VanDerWaalsContact O-CB 3.28Å; I96-T118 WeakPolarHBondContact O-CB 3.45Å; I96-T118 PolarHBondContact O-OG1 3.49Å; K97-T118 PolarHBondContact O-OG1 2.9Å; V99-T118 HydrophobicContact CB-CG2 4.46Å; V99-T118 HydrophobicContact CG2-CG2 3.91Å; I115-T118 VanDerWaalsContact O-CG2 3.25Å; I115-T118 WeakPolarHBondContact O-CG2 3.48Å; I115-T118 PolarHBondContact O-N 3.3Å; G116-T118 VanDerWaalsContact C-N 3.28Å; T118-G125 WeakPolarHBondContact OG1-CA 3.22Å; T118-R126 WeakPolarHBondContact CG2-O 3.27Å
119G86.8Confident91.1Very high18 Ų1858.7 Ų58.719%0.18628%0.277CS..SBendtrans76.727.7175.500000115.2K123G119-K123 CarbonylContact C-O 3.49Å; G119-K123 WeakPolarHBondContact CA-O 3.39Å
120R81.9Confident91.4Very high99 Ų9954.7 Ų54.737%0.37426%0.258SS..  trans-83.7159.7176.1-62.5-173.9176.4-163.31.4111.9H122 K123R120-H122 PolarHBondContact O-N 3.37Å; R120-K123 PolarHBondContact O-N 2.97Å; R120-K123 VanDerWaalsContact O-N 3.17Å
121H74.5Confident91.5Very high157 Ų15752.8 Ų52.873%0.72725%0.248SC*.THydrogen-bonded Turntrans51.949.9172.6-54.6-76.8000115.4K123H121-K123 PolarHBondContact O-N 3.2Å
122H76.2Confident91.3Very high181 Ų18153.4 Ų53.484%0.83825%0.251SS*.THydrogen-bonded Turntrans61.74.1-180-50-76000115.8R120R120-H122 PolarHBondContact O-N 3.37Å
123K82.8Confident91.1Very high143 Ų14361.7 Ų61.762%0.62228%0.277SS*.PPolyproline II helixtrans-83.1142.3173.4-64-178.2179.3177.50109.7G119 R120 H121G119-K123 CarbonylContact C-O 3.49Å; G119-K123 WeakPolarHBondContact CA-O 3.39Å; R120-K123 PolarHBondContact O-N 2.97Å; R120-K123 VanDerWaalsContact O-N 3.17Å; H121-K123 PolarHBondContact O-N 3.2Å
124K88.4Confident91.1Very high192 Ų19261.6 Ų61.684%0.83529%0.292SS*.PPolyproline II helixtrans-75.4125170.6-68.6-173.5179.6-178.10109N2N2-K124 WeakPolarHBondContact O-CA 3.49Å
125G94.7Very high91Very high5 Ų562.5 Ų62.55%0.05230%0.298CS..EExtended strand (participates in β ladder)trans-96.9161.3170.400000112N2 V3 C4 T118N2-G125 PolarHBondContact O-N 3.38Å; V3-G125 WeakPolarHBondContact CA-O 3.41Å; C4-G125 PolarHBondContact N-O 2.67Å; T118-G125 WeakPolarHBondContact OG1-CA 3.22Å
126R97Very high90.9Very high74 Ų7467.1 Ų67.128%0.27932%0.323SS..EExtended strand (participates in β ladder)trans-116140167.9-175.3176-73.3-96.9-2.6110.5C4 E6 T26 K97 H98 V99 T118C4-R126 CarbonylContact O-C 3.53Å; C4-R126 WeakPolarHBondContact O-CA 3.39Å; E6-R126 IonicContact OE2-NH1 2.82Å; E6-R126 PolarHBondContact OE2-NH1 3.31Å; T26-R126 HydrophobicContact CG2-CB 3.99Å; K97-R126 PolarHBondContact O-N 3.22Å; H98-R126 CarbonylContact C-O 3.55Å; H98-R126 VanDerWaalsContact CA-O 3.23Å; H98-R126 WeakPolarHBondContact CA-O 3.26Å; H98-R126 PolarHBondContact CD2-O 3.35Å; H98-R126 VanDerWaalsContact CD2-O 3.32Å; V99-R126 PolarHBondContact N-O 3.34Å; T118-R126 WeakPolarHBondContact CG2-O 3.27Å
127A97.9Very high90.8Very high0 Ų069.4 Ų69.40%033%0.331CS..EExtended strand (participates in β ladder)trans-123.4126.7166.800000108.9V3 C4 E6 V99 I115V3-A127 HydrophobicContact CG1-CB 3.75Å; C4-A127 PolarHBondContact O-N 3.34Å; E6-A127 PolarHBondContact N-O 2.78Å; V99-A127 CarbonylContact O-C 3.54Å; V99-A127 VanDerWaalsContact O-CA 3.23Å; V99-A127 WeakPolarHBondContact O-CA 3.46Å; I115-A127 HydrophobicContact CB-CB 3.83Å; I115-A127 HydrophobicContact CG2-CB 3.43Å; I115-A127 VanDerWaalsContact CG2-CB 3.43Å
128T98.4Very high90.7Very high0 Ų069.7 Ų69.70%034%0.343CS..EExtended strand (participates in β ladder)trans-114.3129.1171.3-630000108.7E6 E8 A22 H98 V99 I100 N101 F130E6-T128 CarbonylContact O-C 3.45Å; E6-T128 VanDerWaalsContact O-CA 3.25Å; E6-T128 WeakPolarHBondContact O-CA 3.48Å; E8-T128 HydrophobicContact CG-CG2 4.45Å; E8-T128 WeakPolarHBondContact OE1-CG2 3.43Å; A22-T128 HydrophobicContact CB-CG2 4.3Å; H98-T128 PolarHBondContact CE1-OG1 3.42Å; H98-T128 WeakPolarHBondContact NE2-CB 3.32Å; H98-T128 PolarHBondContact NE2-OG1 3.36Å; V99-T128 PolarHBondContact O-N 3.15Å; I100-T128 CarbonylContact C-O 3.59Å; I100-T128 VanDerWaalsContact CA-O 3.31Å; I100-T128 WeakPolarHBondContact CA-O 3.37Å; N101-T128 PolarHBondContact N-O 2.99Å; T128-F130 HydrophobicContact CG2-CD1 4.15Å; T128-F130 HydrophobicContact CG2-CE1 3.66Å
129T98.4Very high90.7Very high0 Ų069.8 Ų69.80%034%0.343CS..EExtended strand (participates in β ladder)trans-123.4124.8179.8-63.50000110.8E6 E8 N101 M104 Y111 I131E6-T129 PolarHBondContact O-N 3.46Å; E8-T129 PolarHBondContact N-O 3.25Å; N101-T129 HydrophobicContact CB-CG2 3.88Å; N101-T129 WeakPolarHBondContact CB-OG1 3.02Å; N101-T129 PolarHBondContact ND2-OG1 3.45Å; M104-T129 HydrophobicContact CB-CG2 4.4Å; M104-T129 HydrophobicContact SD-CG2 3.77Å; Y111-T129 HydrophobicContact CE2-CG2 4.32Å; Y111-T129 WeakPolarHBondContact CE2-OG1 3.44Å; T129-I131 HydrophobicContact CG2-CG2 3.78Å
130F98.2Very high91Very high0 Ų069.6 Ų69.60%034%0.338CS..EExtended strand (participates in β ladder)trans-87.8125.5173.4-56.5-21.4000109.7E8 V10 K15 H18 I19 A22 I100 N101 Y102 T128E8-F130 HydrophobicContact CB-CD1 4.33Å; E8-F130 WeakPolarHBondContact O-CA 3.46Å; V10-F130 HydrophobicContact CB-CB 4.25Å; V10-F130 HydrophobicContact CB-CG 4.35Å; V10-F130 HydrophobicContact CG2-CB 4.15Å; V10-F130 HydrophobicContact CG2-CD1 3.74Å; V10-F130 HydrophobicContact CG2-CE1 4.35Å; V10-F130 HydrophobicContact CG2-CG 3.94Å; K15-F130 HydrophobicContact CB-CD2 4.27Å; K15-F130 HydrophobicContact CD-CB 4.47Å; K15-F130 HydrophobicContact CG-CB 4.47Å; K15-F130 HydrophobicContact CG-CD2 4.28Å; H18-F130 HydrophobicContact CB-CE2 4.43Å; H18-F130 HydrophobicContact CB-CZ 4.27Å; H18-F130 AromaticContact CD2-CE1 3.53Å; H18-F130 AromaticContact CD2-CZ 3.71Å; I19-F130 HydrophobicContact CG1-CE2 3.91Å; I19-F130 HydrophobicContact CG1-CZ 4.49Å; A22-F130 HydrophobicContact CB-CE1 4.36Å; A22-F130 HydrophobicContact CB-CZ 4.05Å; I100-F130 HydrophobicContact CG2-CE2 4.2Å; I100-F130 HydrophobicContact CG2-CZ 4.04Å; N101-F130 PolarHBondContact O-N 3.08Å; Y102-F130 HydrophobicContact CD2-CD2 4.23Å; Y102-F130 HydrophobicContact CD2-CE2 4.43Å; T128-F130 HydrophobicContact CG2-CD1 4.15Å; T128-F130 HydrophobicContact CG2-CE1 3.66Å
131I96.4Very high91.5Very high1 Ų166 Ų661%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-126.6156.9174.665174.7000110.9V7 E8 Y9 V10 M104 T129 L140 L143 F157 L158V7-I131 HydrophobicContact CG1-CD1 3.44Å; V7-I131 VanDerWaalsContact CG1-CD1 3.44Å; V7-I131 HydrophobicContact CG1-CG1 3.72Å; V7-I131 HydrophobicContact CG1-CG2 4.18Å; E8-I131 PolarHBondContact O-N 2.96Å; Y9-I131 CarbonylContact C-O 3.47Å; Y9-I131 WeakPolarHBondContact CA-O 3.44Å; V10-I131 PolarHBondContact N-O 3.41Å; M104-I131 HydrophobicContact CB-CG2 3.85Å; M104-I131 HydrophobicContact CG-CG2 4.24Å; M104-I131 HydrophobicContact SD-CG2 4.48Å; T129-I131 HydrophobicContact CG2-CG2 3.78Å; I131-L140 HydrophobicContact CB-CD2 4.27Å; I131-L140 HydrophobicContact CD1-CD2 3.62Å; I131-L140 HydrophobicContact CG2-CD2 4.29Å; I131-L143 HydrophobicContact CD1-CD2 4.46Å; I131-L143 HydrophobicContact CG2-CD2 4.46Å; I131-F157 HydrophobicContact CD1-CD2 4.44Å; I131-F157 HydrophobicContact CD1-CE2 3.17Å; I131-F157 HydrophobicContact CD1-CZ 3.38Å; I131-F157 HydrophobicContact CG1-CE2 3.69Å; I131-F157 HydrophobicContact CG1-CZ 3.58Å; I131-L158 HydrophobicContact CD1-CD1 4.32Å; I131-L158 HydrophobicContact CD1-CD2 3.73Å; I131-L158 HydrophobicContact CD1-CG 4.12Å
132N92.8Very high92.4Very high13 Ų1360.1 Ų60.17%0.0730%0.3CS..  trans-150.7-175.6178.864.127.4000110.4V10 Q12 K15 A134 C135V10-N132 WeakPolarHBondContact O-CB 3.39Å; Q12-N132 PolarHBondContact OE1-ND2 3.43Å; K15-N132 WeakPolarHBondContact CE-ND2 3.3Å; N132-A134 PolarHBondContact O-N 2.91Å; N132-A134 VanDerWaalsContact O-N 3.13Å; N132-A134 WeakPolarHBondContact OD1-CA 3.43Å; N132-A134 VanDerWaalsContact OD1-CB 3.26Å; N132-A134 WeakPolarHBondContact OD1-CB 3.4Å; N132-A134 PolarHBondContact OD1-N 3.41Å; N132-C135 PolarHBondContact O-N 3.42Å
133R90Very high93.3Very high226 Ų22651.5 Ų51.585%0.85326%0.26SS*.THydrogen-bonded Turntrans-60.7-15.7178.3-80.2165.6-171.2175.81115.1Y9Y9-R133 HydrophobicContact CE2-CG 4.49Å; Y9-R133 WeakPolarHBondContact OH-CD 3.41Å; Y9-R133 VanDerWaalsContact OH-CG 3.27Å; Y9-R133 WeakPolarHBondContact OH-CG 3.34Å; Y9-R133 PolarHBondContact OH-NE 3.19Å
134A91.3Very high93.9Very high90 Ų9046 Ų4674%0.74424%0.236SC*.THydrogen-bonded Turntrans-85-13.2179.700000112.8N132N132-A134 PolarHBondContact O-N 2.91Å; N132-A134 VanDerWaalsContact O-N 3.13Å; N132-A134 WeakPolarHBondContact OD1-CA 3.43Å; N132-A134 VanDerWaalsContact OD1-CB 3.26Å; N132-A134 WeakPolarHBondContact OD1-CB 3.4Å; N132-A134 PolarHBondContact OD1-N 3.41Å
135C93Very high93.9Very high21 Ų2138.6 Ų38.614%0.14220%0.204CC..SBendtrans-67.3137.2175.5-61.40000110.8N132 V137 L140N132-C135 PolarHBondContact O-N 3.42Å; C135-V137 PolarHBondContact O-N 3.4Å; C135-L140 HydrophobicContact CB-CD1 4.02Å; C135-L140 HydrophobicContact CB-CD2 3.69Å; C135-L140 HydrophobicContact CB-CG 3.9Å
136D91.9Very high93.9Very high97 Ų9739.7 Ų39.752%0.51921%0.209SC..  trans-60.3131.5176.3-169.7-61.3000110.9S138 V139 L140D136-S138 PolarHBondContact O-N 2.87Å; D136-S138 VanDerWaalsContact OD1-CB 3.26Å; D136-S138 WeakPolarHBondContact OD1-CB 3.24Å; D136-S138 PolarHBondContact OD1-N 3.26Å; D136-S138 PolarHBondContact OD1-OG 2.86Å; D136-V139 HydrophobicContact CB-CB 4.43Å; D136-V139 HydrophobicContact CB-CG2 4.05Å; D136-V139 PolarHBondContact O-N 3.06Å; D136-L140 WeakPolarHBondContact O-CG 3.36Å; D136-L140 PolarHBondContact O-N 3.45Å; D136-L140 VanDerWaalsContact O-N 3.08Å
137V90.4Very high93.8Very high76 Ų7636.1 Ų36.146%0.46120%0.195SC..Hα-helixtrans-59.6-36.5-177.3177.30000111.6C135 V139 L140 L141C135-V137 PolarHBondContact O-N 3.4Å; V137-V139 PolarHBondContact O-N 3.4Å; V137-L140 PolarHBondContact O-N 3.15Å; V137-L141 HydrophobicContact CG1-CD1 4.15Å; V137-L141 HydrophobicContact CG1-CG 4.41Å; V137-L141 WeakPolarHBondContact O-CG 3.35Å; V137-L141 PolarHBondContact O-N 3.15Å
138S90.5Very high93.5Very high66 Ų6641.3 Ų41.346%0.46222%0.218SC..Hα-helixtrans-61.5-43.9178.166.30000111.7D136 L140 L141 D142D136-S138 PolarHBondContact O-N 2.87Å; D136-S138 VanDerWaalsContact OD1-CB 3.26Å; D136-S138 WeakPolarHBondContact OD1-CB 3.24Å; D136-S138 PolarHBondContact OD1-N 3.26Å; D136-S138 PolarHBondContact OD1-OG 2.86Å; S138-L140 VanDerWaalsContact C-N 3.35Å; S138-L140 PolarHBondContact O-N 3.27Å; S138-L141 PolarHBondContact O-N 3.06Å; S138-D142 PolarHBondContact O-N 3.46Å
139V92.9Very high93.1Very high7 Ų746.5 Ų46.54%0.04224%0.242CC..Hα-helixtrans-66.1-38.2176.7178.10000111.3M104 P105 E106 D136 V137 L141 D142 L143M104-V139 HydrophobicContact CE-CG1 3.4Å; M104-V139 HydrophobicContact CG-CG1 3.95Å; P105-V139 WeakPolarHBondContact O-CG1 3.31Å; E106-V139 WeakPolarHBondContact O-CG2 3.5Å; D136-V139 HydrophobicContact CB-CB 4.43Å; D136-V139 HydrophobicContact CB-CG2 4.05Å; D136-V139 PolarHBondContact O-N 3.06Å; V137-V139 PolarHBondContact O-N 3.4Å; V139-L141 VanDerWaalsContact C-N 3.35Å; V139-D142 PolarHBondContact O-N 3.27Å; V139-L143 WeakPolarHBondContact O-CB 3.47Å; V139-L143 PolarHBondContact O-N 3.29Å
140L94.2Very high92.7Very high14 Ų1448 Ų487%0.07325%0.254CS..Hα-helixtrans-67-35.2176.4-64.2-176.4000112.5I131 C135 D136 V137 S138 K144 L158 L161I131-L140 HydrophobicContact CB-CD2 4.27Å; I131-L140 HydrophobicContact CD1-CD2 3.62Å; I131-L140 HydrophobicContact CG2-CD2 4.29Å; C135-L140 HydrophobicContact CB-CD1 4.02Å; C135-L140 HydrophobicContact CB-CD2 3.69Å; C135-L140 HydrophobicContact CB-CG 3.9Å; D136-L140 WeakPolarHBondContact O-CG 3.36Å; D136-L140 PolarHBondContact O-N 3.45Å; D136-L140 VanDerWaalsContact O-N 3.08Å; V137-L140 PolarHBondContact O-N 3.15Å; S138-L140 VanDerWaalsContact C-N 3.35Å; S138-L140 PolarHBondContact O-N 3.27Å; L140-K144 WeakPolarHBondContact O-CB 3.4Å; L140-K144 PolarHBondContact O-N 2.67Å; L140-L158 HydrophobicContact CB-CD2 4.07Å; L140-L158 HydrophobicContact CD2-CD2 4.24Å; L140-L161 HydrophobicContact CB-CD1 3.55Å; L140-L161 HydrophobicContact CD1-CD1 3.81Å; L140-L161 HydrophobicContact CG-CD1 4.33Å
141L92Very high92.5Very high23 Ų2357.1 Ų57.112%0.1229%0.294CS..Hα-helixtrans-66.6-46.1172.7-69.9167.6000110.8V137 S138 V139 L143 K144 H145 L161 A163V137-L141 HydrophobicContact CG1-CD1 4.15Å; V137-L141 HydrophobicContact CG1-CG 4.41Å; V137-L141 WeakPolarHBondContact O-CG 3.35Å; V137-L141 PolarHBondContact O-N 3.15Å; S138-L141 PolarHBondContact O-N 3.06Å; V139-L141 VanDerWaalsContact C-N 3.35Å; L141-L143 VanDerWaalsContact C-N 3.31Å; L141-L143 PolarHBondContact O-N 3.4Å; L141-K144 WeakPolarHBondContact O-CB 3.34Å; L141-K144 PolarHBondContact O-N 3.36Å; L141-H145 PolarHBondContact O-CD2 3.35Å; L141-H145 PolarHBondContact O-N 3.46Å; L141-L161 HydrophobicContact CD2-CB 4.16Å; L141-A163 HydrophobicContact CD1-CB 3.81Å
142D93.5Very high92.4Very high33 Ų3359.2 Ų59.218%0.17630%0.304CS..Hα-helixtrans-60.1-42175.4-73-19.8000111.5I108 S138 V139 H145 L146I108-D142 HydrophobicContact CB-CB 3.91Å; I108-D142 HydrophobicContact CD1-CB 4.32Å; I108-D142 HydrophobicContact CG1-CB 4.01Å; I108-D142 HydrophobicContact CG2-CB 4.15Å; S138-D142 PolarHBondContact O-N 3.46Å; V139-D142 PolarHBondContact O-N 3.27Å; D142-H145 PolarHBondContact O-N 2.64Å; D142-L146 WeakPolarHBondContact O-CB 3.26Å; D142-L146 PolarHBondContact O-N 3.39Å
143L95.4Very high92.4Very high0 Ų066.3 Ų66.30%034%0.337CS..Hα-helixtrans-61.9-44.8174.1179.162.2000112V7 M104 I108 Y111 I131 V139 L141 H145 L146 L147 L158V7-L143 HydrophobicContact CG1-CD2 4.16Å; V7-L143 HydrophobicContact CG2-CD1 4.44Å; V7-L143 HydrophobicContact CG2-CD2 4.13Å; M104-L143 HydrophobicContact CE-CB 4.18Å; M104-L143 HydrophobicContact CE-CD1 4.36Å; M104-L143 HydrophobicContact CE-CD2 4.11Å; M104-L143 HydrophobicContact CE-CG 4.45Å; M104-L143 HydrophobicContact SD-CD2 3.99Å; I108-L143 HydrophobicContact CD1-CB 4.11Å; I108-L143 HydrophobicContact CD1-CD1 4.36Å; Y111-L143 HydrophobicContact CD1-CD1 4.23Å; Y111-L143 HydrophobicContact CD2-CD1 4.24Å; Y111-L143 HydrophobicContact CE1-CD1 3.76Å; Y111-L143 HydrophobicContact CE2-CD1 3.71Å; Y111-L143 HydrophobicContact CG-CD1 4.47Å; Y111-L143 VanDerWaalsContact CZ-CD1 3.47Å; I131-L143 HydrophobicContact CD1-CD2 4.46Å; I131-L143 HydrophobicContact CG2-CD2 4.46Å; V139-L143 WeakPolarHBondContact O-CB 3.47Å; V139-L143 PolarHBondContact O-N 3.29Å; L141-L143 VanDerWaalsContact C-N 3.31Å; L141-L143 PolarHBondContact O-N 3.4Å; L143-H145 VanDerWaalsContact C-N 3.34Å; L143-H145 PolarHBondContact O-N 3.19Å; L143-L146 PolarHBondContact O-N 2.97Å; L143-L147 HydrophobicContact CD1-CD1 4.48Å; L143-L147 HydrophobicContact CD1-CG 4.29Å; L143-L147 HydrophobicContact CG-CD1 4.29Å; L143-L147 VanDerWaalsContact O-CG 3.31Å; L143-L147 WeakPolarHBondContact O-CG 3.24Å; L143-L147 PolarHBondContact O-N 3.02Å; L143-L158 HydrophobicContact CD2-CD1 4.15Å; L143-L158 HydrophobicContact CG-CD1 4.25Å
144K93.9Very high92.5Very high28 Ų2855.9 Ų55.912%0.12230%0.298CS..Hα-helixtrans-55.2-50.2174.8177.4-166.5-174175.80110.4L140 L141 L146 L147 F148 V154 L158 M159 L161L140-K144 WeakPolarHBondContact O-CB 3.4Å; L140-K144 PolarHBondContact O-N 2.67Å; L141-K144 WeakPolarHBondContact O-CB 3.34Å; L141-K144 PolarHBondContact O-N 3.36Å; K144-L146 PolarHBondContact O-N 3.29Å; K144-L147 PolarHBondContact O-N 2.87Å; K144-F148 HydrophobicContact CD-CE2 4.43Å; K144-F148 HydrophobicContact CG-CD2 3.96Å; K144-F148 HydrophobicContact CG-CE2 3.79Å; K144-F148 VanDerWaalsContact O-CD2 3.24Å; K144-F148 WeakPolarHBondContact O-CD2 3.47Å; K144-F148 PolarHBondContact O-N 3.26Å; K144-F148 VanDerWaalsContact O-N 3.11Å; K144-V154 HydrophobicContact CG-CG1 4.3Å; K144-L158 VanDerWaalsContact CD-O 3.31Å; K144-L158 WeakPolarHBondContact CD-O 3.31Å; K144-L158 WeakPolarHBondContact CE-O 3.37Å; K144-M159 PolarHBondContact NZ-O 2.74Å; K144-L161 PolarHBondContact NZ-O 3.04Å
145H89.9Confident92.6Very high37 Ų3752.2 Ų52.217%0.17127%0.266CS..Hα-helixtrans-61.4-43.1178.9-67.7-56.8000112.2L141 D142 L143 L147 F148 E149 T178 Y179L141-H145 PolarHBondContact O-CD2 3.35Å; L141-H145 PolarHBondContact O-N 3.46Å; D142-H145 PolarHBondContact O-N 2.64Å; L143-H145 VanDerWaalsContact C-N 3.34Å; L143-H145 PolarHBondContact O-N 3.19Å; H145-L147 PolarHBondContact O-N 2.78Å; H145-F148 PolarHBondContact O-N 3.42Å; H145-E149 PolarHBondContact O-N 2.96Å; H145-T178 PolarHBondContact CE1-O 3.38Å; H145-T178 VanDerWaalsContact CE1-O 3.26Å; H145-T178 PolarHBondContact NE2-O 3.02Å; H145-Y179 HydrophobicContact CB-CD2 4.27Å; H145-Y179 HydrophobicContact CB-CE2 4.18Å; H145-Y179 AromaticContact CD2-CD2 3.75Å; H145-Y179 AromaticContact CG-CD2 3.8Å
146L93.8Very high92.5Very high27 Ų2756 Ų5614%0.14129%0.291CS..Hα-helixtrans-61.5-44.3178.5-173.6155.1000112I108 Y111 V112 D142 L143 K144 E149 A150I108-L146 HydrophobicContact CD1-CD1 3.94Å; I108-L146 HydrophobicContact CG1-CD1 3.86Å; Y111-L146 HydrophobicContact CD1-CD1 4.11Å; Y111-L146 HydrophobicContact CE1-CD1 4.15Å; Y111-L146 HydrophobicContact CE1-CD2 3.89Å; V112-L146 HydrophobicContact CG2-CD1 3.48Å; V112-L146 VanDerWaalsContact CG2-CD1 3.48Å; D142-L146 WeakPolarHBondContact O-CB 3.26Å; D142-L146 PolarHBondContact O-N 3.39Å; L143-L146 PolarHBondContact O-N 2.97Å; K144-L146 PolarHBondContact O-N 3.29Å; L146-E149 PolarHBondContact O-N 3.45Å; L146-A150 VanDerWaalsContact O-CB 3.24Å; L146-A150 WeakPolarHBondContact O-CB 3.37Å; L146-A150 PolarHBondContact O-N 2.96Å
147L95Very high92.2Very high0 Ų054.1 Ų54.10%028%0.278CS..Hα-helixtrans-62.3-43.2177.1-68.8171.8000111.6Q5 V7 L143 K144 H145 A150 K151 Q152 V154 L158Q5-L147 HydrophobicContact CB-CD2 3.69Å; V7-L147 HydrophobicContact CB-CD1 4.44Å; V7-L147 HydrophobicContact CG2-CD1 3.76Å; V7-L147 HydrophobicContact CG2-CD2 4.22Å; L143-L147 HydrophobicContact CD1-CD1 4.48Å; L143-L147 HydrophobicContact CD1-CG 4.29Å; L143-L147 HydrophobicContact CG-CD1 4.29Å; L143-L147 VanDerWaalsContact O-CG 3.31Å; L143-L147 WeakPolarHBondContact O-CG 3.24Å; L143-L147 PolarHBondContact O-N 3.02Å; K144-L147 PolarHBondContact O-N 2.87Å; H145-L147 PolarHBondContact O-N 2.78Å; L147-A150 CarbonylContact O-C 3.49Å; L147-A150 PolarHBondContact O-N 3.4Å; L147-K151 PolarHBondContact O-N 3.02Å; L147-K151 VanDerWaalsContact O-N 3.1Å; L147-Q152 HydrophobicContact CB-CB 4.22Å; L147-Q152 HydrophobicContact CD2-CB 3.76Å; L147-Q152 HydrophobicContact CD2-CG 4.2Å; L147-Q152 PolarHBondContact O-N 3.3Å; L147-V154 HydrophobicContact CB-CG2 3.82Å; L147-L158 HydrophobicContact CD1-CD1 3.8Å
148F91.1Very high92.2Very high109 Ų10950.5 Ų50.548%0.47826%0.256SS..Hα-helixtrans-60.1-48.9175-86.9-64.9000112K144 H145 A150 K151 V154K144-F148 HydrophobicContact CD-CE2 4.43Å; K144-F148 HydrophobicContact CG-CD2 3.96Å; K144-F148 HydrophobicContact CG-CE2 3.79Å; K144-F148 VanDerWaalsContact O-CD2 3.24Å; K144-F148 WeakPolarHBondContact O-CD2 3.47Å; K144-F148 PolarHBondContact O-N 3.26Å; K144-F148 VanDerWaalsContact O-N 3.11Å; H145-F148 PolarHBondContact O-N 3.42Å; F148-A150 VanDerWaalsContact C-N 3.29Å; F148-A150 PolarHBondContact O-N 2.87Å; F148-K151 PolarHBondContact O-N 2.99Å; F148-V154 HydrophobicContact CD1-CG2 4.14Å; F148-V154 HydrophobicContact CD2-CG2 3.94Å; F148-V154 HydrophobicContact CE1-CG2 4.08Å; F148-V154 HydrophobicContact CE2-CB 4.4Å; F148-V154 HydrophobicContact CE2-CG1 4.2Å; F148-V154 HydrophobicContact CE2-CG2 3.87Å; F148-V154 HydrophobicContact CG-CG2 4.06Å; F148-V154 HydrophobicContact CZ-CB 4.33Å; F148-V154 HydrophobicContact CZ-CG1 4.48Å; F148-V154 HydrophobicContact CZ-CG2 3.94Å
149E90.2Very high92.1Very high108 Ų10852.2 Ų52.251%0.50526%0.258SS..Hα-helixtrans-61.6-39.5178.9-165.4-162.7135.800111.5H145 L146 K151 R200H145-E149 PolarHBondContact O-N 2.96Å; L146-E149 PolarHBondContact O-N 3.45Å; E149-K151 PolarHBondContact O-N 3.1Å; E149-R200 IonicContact OE1-CZ 3.87Å; E149-R200 IonicContact OE1-NH1 3.86Å; E149-R200 PolarHBondContact OE1-NH1 3.34Å; E149-R200 IonicContact OE2-NH1 4Å
150A90.5Very high91.7Very high31 Ų3156 Ų5626%0.25629%0.285SS..THydrogen-bonded Turntrans-78.73.3177.600000113.9L146 L147 F148 Q152L146-A150 VanDerWaalsContact O-CB 3.24Å; L146-A150 WeakPolarHBondContact O-CB 3.37Å; L146-A150 PolarHBondContact O-N 2.96Å; L147-A150 CarbonylContact O-C 3.49Å; L147-A150 PolarHBondContact O-N 3.4Å; F148-A150 VanDerWaalsContact C-N 3.29Å; F148-A150 PolarHBondContact O-N 2.87Å; A150-Q152 HydrophobicContact CB-CG 3.75Å; A150-Q152 PolarHBondContact O-N 3.18Å; A150-Q152 PolarHBondContact O-NE2 2.71Å
151K93.2Very high91.1Very high193 Ų19357.3 Ų57.384%0.83929%0.292SS*.THydrogen-bonded Turntrans52.540.7-177-55.9-179.2-178.2-1790112.7L147 F148 E149L147-K151 PolarHBondContact O-N 3.02Å; L147-K151 VanDerWaalsContact O-N 3.1Å; F148-K151 PolarHBondContact O-N 2.99Å; E149-K151 PolarHBondContact O-N 3.1Å
152Q94.2Very high90Very high44 Ų4461.7 Ų61.721%0.20631%0.312CS..PPolyproline II helixtrans-94.1162.4177.1-56.2-61.6-58.100110.2Q5 L147 A150 V154Q5-Q152 HydrophobicContact CB-CB 4.47Å; Q5-Q152 HydrophobicContact CB-CG 3.98Å; Q5-Q152 HydrophobicContact CG-CG 4.33Å; L147-Q152 HydrophobicContact CB-CB 4.22Å; L147-Q152 HydrophobicContact CD2-CB 3.76Å; L147-Q152 HydrophobicContact CD2-CG 4.2Å; L147-Q152 PolarHBondContact O-N 3.3Å; A150-Q152 HydrophobicContact CB-CG 3.75Å; A150-Q152 PolarHBondContact O-N 3.18Å; A150-Q152 PolarHBondContact O-NE2 2.71Å; Q152-V154 PolarHBondContact O-N 2.9Å
153E93Very high88.7Confident163 Ų16360.9 Ų60.976%0.76231%0.31SS*.PPolyproline II helixtrans-67.7126.2171.5-172.2178.7165.300109.6
154V93.6Very high87Confident6 Ų668.2 Ų68.24%0.03634%0.344CS..PPolyproline II helixtrans-98.3118.7175.4-176.60000107.6K144 L147 F148 Q152 L158 M159K144-V154 HydrophobicContact CG-CG1 4.3Å; L147-V154 HydrophobicContact CB-CG2 3.82Å; F148-V154 HydrophobicContact CD1-CG2 4.14Å; F148-V154 HydrophobicContact CD2-CG2 3.94Å; F148-V154 HydrophobicContact CE1-CG2 4.08Å; F148-V154 HydrophobicContact CE2-CB 4.4Å; F148-V154 HydrophobicContact CE2-CG1 4.2Å; F148-V154 HydrophobicContact CE2-CG2 3.87Å; F148-V154 HydrophobicContact CG-CG2 4.06Å; F148-V154 HydrophobicContact CZ-CB 4.33Å; F148-V154 HydrophobicContact CZ-CG1 4.48Å; F148-V154 HydrophobicContact CZ-CG2 3.94Å; Q152-V154 PolarHBondContact O-N 2.9Å; V154-L158 HydrophobicContact CG1-CB 3.75Å; V154-M159 HydrophobicContact CB-CE 4.35Å; V154-M159 HydrophobicContact CB-CG 4.04Å; V154-M159 HydrophobicContact CG1-CG 3.67Å; V154-M159 WeakPolarHBondContact O-CE 3.38Å
155P92.8Very high85.1Confident13 Ų1368.9 Ų68.98%0.08435%0.352CS..PPolyproline II helixtrans-59.5146.3177.5-26.634.8000112.2V7 F157 L158 M159V7-P155 HydrophobicContact CB-CG 3.88Å; V7-P155 HydrophobicContact CG1-CG 4.38Å; V7-P155 WeakPolarHBondContact O-CG 3.42Å; P155-F157 HydrophobicContact CB-CD1 3.54Å; P155-F157 HydrophobicContact CB-CE1 3.15Å; P155-F157 HydrophobicContact CB-CG 4.47Å; P155-F157 HydrophobicContact CB-CZ 3.8Å; P155-F157 HydrophobicContact CG-CE1 3.81Å; P155-F157 HydrophobicContact CG-CZ 4.09Å; P155-F157 PolarHBondContact O-N 2.84Å; P155-L158 PolarHBondContact O-N 2.93Å; P155-M159 PolarHBondContact O-N 3.48Å
156P89.7Confident83.4Confident101 Ų10168.8 Ų68.866%0.65635%0.352SS*.Hα-helixtrans-52.4-36.9-177.5-3035.4000114.3L158 M159 S160P156-L158 PolarHBondContact O-N 2.96Å; P156-M159 WeakPolarHBondContact O-CB 3.44Å; P156-M159 PolarHBondContact O-N 3.44Å; P156-S160 PolarHBondContact O-N 2.98Å; P156-S160 PolarHBondContact O-OG 3.08Å
157F87.1Confident81.4Confident57 Ų5774 Ų7425%0.2537%0.373CS..Hα-helixtrans-68.8-32.6-179.972.8-95.5000112.5V7 Y9 I131 P155 S160V7-F157 HydrophobicContact CG1-CZ 4.15Å; Y9-F157 HydrophobicContact CD2-CD2 4.27Å; Y9-F157 HydrophobicContact CD2-CE2 4.35Å; Y9-F157 HydrophobicContact CD2-CG 4.46Å; I131-F157 HydrophobicContact CD1-CD2 4.44Å; I131-F157 HydrophobicContact CD1-CE2 3.17Å; I131-F157 HydrophobicContact CD1-CZ 3.38Å; I131-F157 HydrophobicContact CG1-CE2 3.69Å; I131-F157 HydrophobicContact CG1-CZ 3.58Å; P155-F157 HydrophobicContact CB-CD1 3.54Å; P155-F157 HydrophobicContact CB-CE1 3.15Å; P155-F157 HydrophobicContact CB-CG 4.47Å; P155-F157 HydrophobicContact CB-CZ 3.8Å; P155-F157 HydrophobicContact CG-CE1 3.81Å; P155-F157 HydrophobicContact CG-CZ 4.09Å; P155-F157 PolarHBondContact O-N 2.84Å; F157-S160 WeakPolarHBondContact CA-OG 3.42Å; F157-S160 PolarHBondContact O-OG 3.45Å
158L89.8Confident79.3Confident0 Ų082 Ų820%041%0.405CS..Hα-helixtrans-72.9-36.3170.4-75.5-170.5000111V7 I131 L140 L143 K144 L147 V154 P155 P156 S160 L161V7-L158 HydrophobicContact CG1-CD1 4.12Å; I131-L158 HydrophobicContact CD1-CD1 4.32Å; I131-L158 HydrophobicContact CD1-CD2 3.73Å; I131-L158 HydrophobicContact CD1-CG 4.12Å; L140-L158 HydrophobicContact CB-CD2 4.07Å; L140-L158 HydrophobicContact CD2-CD2 4.24Å; L143-L158 HydrophobicContact CD2-CD1 4.15Å; L143-L158 HydrophobicContact CG-CD1 4.25Å; K144-L158 VanDerWaalsContact CD-O 3.31Å; K144-L158 WeakPolarHBondContact CD-O 3.31Å; K144-L158 WeakPolarHBondContact CE-O 3.37Å; L147-L158 HydrophobicContact CD1-CD1 3.8Å; V154-L158 HydrophobicContact CG1-CB 3.75Å; P155-L158 PolarHBondContact O-N 2.93Å; P156-L158 PolarHBondContact O-N 2.96Å; L158-S160 VanDerWaalsContact C-N 3.25Å; L158-S160 PolarHBondContact O-N 3.16Å; L158-L161 HydrophobicContact CD2-CD1 3.59Å; L158-L161 PolarHBondContact O-N 2.84Å
159M87.7Confident77.4Confident102 Ų10277.7 Ų77.750%0.50239%0.387SS..Hα-helixtrans-58.8-40.9176-64.1-162.1-14900111.5K144 V154 P155 P156 L161K144-M159 PolarHBondContact NZ-O 2.74Å; V154-M159 HydrophobicContact CB-CE 4.35Å; V154-M159 HydrophobicContact CB-CG 4.04Å; V154-M159 HydrophobicContact CG1-CG 3.67Å; V154-M159 WeakPolarHBondContact O-CE 3.38Å; P155-M159 PolarHBondContact O-N 3.48Å; P156-M159 WeakPolarHBondContact O-CB 3.44Å; P156-M159 PolarHBondContact O-N 3.44Å; M159-L161 VanDerWaalsContact C-N 3.29Å; M159-L161 PolarHBondContact O-N 3.19Å
160S84.3Confident75.6Confident88 Ų8879.8 Ų79.862%0.61540%0.401SS*.THydrogen-bonded Turntrans-73.2-13.1179.359.70000115.1P156 F157 L158 Q162P156-S160 PolarHBondContact O-N 2.98Å; P156-S160 PolarHBondContact O-OG 3.08Å; F157-S160 WeakPolarHBondContact CA-OG 3.42Å; F157-S160 PolarHBondContact O-OG 3.45Å; L158-S160 VanDerWaalsContact C-N 3.25Å; L158-S160 PolarHBondContact O-N 3.16Å; S160-Q162 PolarHBondContact O-N 2.94Å
161L82.2Confident73.8Confident41 Ų4184.7 Ų84.722%0.21542%0.422CS..  trans-69.2122.9175.1-70.2173.8000109.3L140 L141 K144 L158 M159L140-L161 HydrophobicContact CB-CD1 3.55Å; L140-L161 HydrophobicContact CD1-CD1 3.81Å; L140-L161 HydrophobicContact CG-CD1 4.33Å; L141-L161 HydrophobicContact CD2-CB 4.16Å; K144-L161 PolarHBondContact NZ-O 3.04Å; L158-L161 HydrophobicContact CD2-CD1 3.59Å; L158-L161 PolarHBondContact O-N 2.84Å; M159-L161 VanDerWaalsContact C-N 3.29Å; M159-L161 PolarHBondContact O-N 3.19Å
162Q70Confident72.1Confident115 Ų11578.1 Ų78.154%0.53741%0.409SS..  trans-113.4142.4171.4-70.5179.5-29.500108.1S160 E166S160-Q162 PolarHBondContact O-N 2.94Å; Q162-E166 WeakPolarHBondContact CA-OE2 3.39Å; Q162-E166 HydrophobicContact CB-CB 4.29Å; Q162-E166 WeakPolarHBondContact CB-OE2 3.49Å
163A64.5Low70.2Confident15 Ų1585.5 Ų85.512%0.12444%0.443CS..  trans-62.5144.517100000109L141 S165 E166 K167L141-A163 HydrophobicContact CD1-CB 3.81Å; A163-S165 VanDerWaalsContact CB-OG 3.3Å; A163-S165 WeakPolarHBondContact CB-OG 3.33Å; A163-S165 PolarHBondContact O-N 3.07Å; A163-S165 VanDerWaalsContact O-N 3.13Å; A163-E166 HydrophobicContact CB-CG 4.1Å; A163-E166 PolarHBondContact N-OE2 3.09Å; A163-E166 WeakPolarHBondContact O-CA 3.12Å; A163-E166 WeakPolarHBondContact O-CB 3.39Å; A163-E166 PolarHBondContact O-N 2.8Å; A163-K167 PolarHBondContact O-N 3.48Å
164E60.5Low68.6Low154 Ų15483.8 Ų83.872%0.7244%0.439SS*.THydrogen-bonded Turntrans-56.4-31.4175-79.2179.8167.300111.7E166 K167 Y168E164-E166 VanDerWaalsContact C-N 3.3Å; E164-E166 PolarHBondContact O-N 2.88Å; E164-K167 WeakPolarHBondContact O-CB 3.5Å; E164-K167 PolarHBondContact O-N 3.36Å; E164-Y168 VanDerWaalsContact O-CD2 3.29Å; E164-Y168 WeakPolarHBondContact O-CD2 3.27Å
165S53.5Low67Low42 Ų4292.3 Ų92.329%0.29447%0.471SS..THydrogen-bonded Turntrans-57.7-40.3170.555.60000112.5A163 K167 Y168 L169 G181A163-S165 VanDerWaalsContact CB-OG 3.3Å; A163-S165 WeakPolarHBondContact CB-OG 3.33Å; A163-S165 PolarHBondContact O-N 3.07Å; A163-S165 VanDerWaalsContact O-N 3.13Å; S165-K167 VanDerWaalsContact C-N 3.27Å; S165-K167 PolarHBondContact O-N 2.9Å; S165-Y168 PolarHBondContact O-N 3.44Å; S165-L169 WeakPolarHBondContact O-CG 3.42Å; S165-L169 PolarHBondContact O-N 3.16Å; S165-L169 VanDerWaalsContact O-N 3.16Å; S165-G181 WeakPolarHBondContact OG-CA 3.29Å
166E53.9Low65.7Low36 Ų3692.1 Ų92.117%0.16847%0.471CS..Hα-helixtrans-65-28.3179.6-69.2177.2153.400112.7Q162 A163 E164 Y168 L169 T178Q162-E166 WeakPolarHBondContact CA-OE2 3.39Å; Q162-E166 HydrophobicContact CB-CB 4.29Å; Q162-E166 WeakPolarHBondContact CB-OE2 3.49Å; A163-E166 HydrophobicContact CB-CG 4.1Å; A163-E166 PolarHBondContact N-OE2 3.09Å; A163-E166 WeakPolarHBondContact O-CA 3.12Å; A163-E166 WeakPolarHBondContact O-CB 3.39Å; A163-E166 PolarHBondContact O-N 2.8Å; E164-E166 VanDerWaalsContact C-N 3.3Å; E164-E166 PolarHBondContact O-N 2.88Å; E166-Y168 PolarHBondContact O-N 3.43Å; E166-L169 HydrophobicContact CB-CD1 4.44Å; E166-L169 HydrophobicContact CG-CD1 3.99Å; E166-L169 PolarHBondContact O-N 3.12Å; E166-T178 WeakPolarHBondContact OE1-CA 3.48Å; E166-T178 WeakPolarHBondContact OE1-CB 3.11Å; E166-T178 WeakPolarHBondContact OE1-CG2 3.32Å
167K52.3Low64.9Low137 Ų13787.3 Ų87.360%0.59644%0.44SS*.Hα-helixtrans-65.1-21.7173.7-69-178178.9172.40113.1A163 E164 S165A163-K167 PolarHBondContact O-N 3.48Å; E164-K167 WeakPolarHBondContact O-CB 3.5Å; E164-K167 PolarHBondContact O-N 3.36Å; S165-K167 VanDerWaalsContact C-N 3.27Å; S165-K167 PolarHBondContact O-N 2.9Å
168Y52.2Low64.2Low167 Ų16787.4 Ų87.466%0.65545%0.445SS*.Hα-helixtrans-102.1-10.8176.7-63.6-81000113.1E164 S165 E166 D170 I171E164-Y168 VanDerWaalsContact O-CD2 3.29Å; E164-Y168 WeakPolarHBondContact O-CD2 3.27Å; S165-Y168 PolarHBondContact O-N 3.44Å; E166-Y168 PolarHBondContact O-N 3.43Å; Y168-D170 VanDerWaalsContact C-N 3.25Å; Y168-D170 PolarHBondContact O-N 3.45Å; Y168-I171 HydrophobicContact CD1-CD1 3.97Å; Y168-I171 PolarHBondContact O-N 3.5Å
169L50.7Low63.3Low19 Ų1988.7 Ų88.710%0.09945%0.45CS..Hα-helixtrans-70.7-18.7178.7-66.9-176.9000113.5S165 E166 I171 L183S165-L169 WeakPolarHBondContact O-CG 3.42Å; S165-L169 PolarHBondContact O-N 3.16Å; S165-L169 VanDerWaalsContact O-N 3.16Å; E166-L169 HydrophobicContact CB-CD1 4.44Å; E166-L169 HydrophobicContact CG-CD1 3.99Å; E166-L169 PolarHBondContact O-N 3.12Å; L169-I171 VanDerWaalsContact C-N 3.31Å; L169-L183 HydrophobicContact CD2-CD2 3.27Å
170D52.6Low62.9Low151 Ų15185.9 Ų85.981%0.80744%0.44SS*.THydrogen-bonded Turntrans-88.33.9173.8-82-23.7000113.1Y168 G172Y168-D170 VanDerWaalsContact C-N 3.25Å; Y168-D170 PolarHBondContact O-N 3.45Å; D170-G172 PolarHBondContact O-N 3.2Å
171I53Low62.2Low135 Ų13582.4 Ų82.469%0.69242%0.418SS*.SBendtrans-99.667.3173.5-44.6-178.3000109.1Y168 L169Y168-I171 HydrophobicContact CD1-CD1 3.97Å; Y168-I171 PolarHBondContact O-N 3.5Å; L169-I171 VanDerWaalsContact C-N 3.31Å
172G55.6Low61.7Low55 Ų5581.5 Ų81.557%0.56742%0.419SS*.SBendtrans139.8166.8176.100000113.6D170 D174D170-G172 PolarHBondContact O-N 3.2Å; G172-D174 PolarHBondContact O-N 2.73Å
173E56.2Low61.8Low198 Ų19881.9 Ų81.993%0.92542%0.424SS*.SBendtrans-70.5-7.3178.2-70.9-175.8154.100113.6R175E173-R175 PolarHBondContact O-N 3.41Å
174D58.1Low62.2Low127 Ų12784.8 Ų84.868%0.67946%0.455SS*.  trans-91.185.9-175.1-71.3-31.1000112.3G172 G176G172-D174 PolarHBondContact O-N 2.73Å; D174-G176 PolarHBondContact O-N 3.31Å; D174-G176 VanDerWaalsContact O-N 3.13Å
175R60.5Low62.8Low186 Ų18679.3 Ų79.370%0.70243%0.43SS*.  trans-63.6111.8170.3-67.9-175.8-170.8175.34.4110.7E173E173-R175 PolarHBondContact O-N 3.41Å
176G65.5Low64Low8 Ų884.9 Ų84.98%0.08244%0.444CS..  trans-78.3172.7173.200000114D174 T178 G182 H185D174-G176 PolarHBondContact O-N 3.31Å; D174-G176 VanDerWaalsContact O-N 3.13Å; G176-T178 PolarHBondContact O-N 3.44Å; G176-G182 CarbonylContact C-O 3.59Å; G176-G182 WeakPolarHBondContact CA-O 3.39Å; G176-H185 CarbonylContact C-O 3.59Å
177C73.4Confident65Low0 Ų086.3 Ų86.30%045%0.452CS..  trans-73.5119.5-179.8176.10000111.3Y179 G181 G182 H185 C190C177-Y179 PolarHBondContact O-N 3.24Å; C177-Y179 VanDerWaalsContact O-N 3.15Å; C177-Y179 PolarHBondContact SG-N 3.43Å; C177-Y179 VanDerWaalsContact SG-N 3.43Å; C177-G181 WeakPolarHBondContact O-CA 3.44Å; C177-G181 PolarHBondContact O-N 3.35Å; C177-G182 WeakPolarHBondContact CB-O 3.45Å; C177-G182 PolarHBondContact N-O 3.34Å; C177-H185 VanDerWaalsContact CA-O 3.29Å; C177-H185 WeakPolarHBondContact CA-O 3.21Å; C177-H185 VanDerWaalsContact CB-CD2 3.42Å; C177-H185 WeakPolarHBondContact CB-CD2 3.03Å; C177-H185 WeakPolarHBondContact CB-NE2 3.33Å; C177-H185 VanDerWaalsContact CB-O 3.32Å; C177-H185 WeakPolarHBondContact CB-O 3.36Å; C177-H185 PolarHBondContact N-O 3.43Å; C177-H185 PolarHBondContact SG-NE2 3Å; C177-C190 WeakPolarHBondContact SG-CB 3.48Å; C177-C190 PolarHBondContact SG-SG 2.87Å
178T70.6Confident66.2Low60 Ų6085.1 Ų85.137%0.36846%0.457SS..THydrogen-bonded Turntrans-70.5-4.9178.9560000114.4H145 E166 G176H145-T178 PolarHBondContact CE1-O 3.38Å; H145-T178 VanDerWaalsContact CE1-O 3.26Å; H145-T178 PolarHBondContact NE2-O 3.02Å; E166-T178 WeakPolarHBondContact OE1-CA 3.48Å; E166-T178 WeakPolarHBondContact OE1-CB 3.11Å; E166-T178 WeakPolarHBondContact OE1-CG2 3.32Å; G176-T178 PolarHBondContact O-N 3.44Å
179Y72.1Confident67.5Low27 Ų2782.2 Ų82.211%0.10645%0.452CS..THydrogen-bonded Turntrans-96.5-50.7177.5177.9-95.6000113H145 C177 C190 K192 L193 L196H145-Y179 HydrophobicContact CB-CD2 4.27Å; H145-Y179 HydrophobicContact CB-CE2 4.18Å; H145-Y179 AromaticContact CD2-CD2 3.75Å; H145-Y179 AromaticContact CG-CD2 3.8Å; C177-Y179 PolarHBondContact O-N 3.24Å; C177-Y179 VanDerWaalsContact O-N 3.15Å; C177-Y179 PolarHBondContact SG-N 3.43Å; C177-Y179 VanDerWaalsContact SG-N 3.43Å; Y179-C190 HydrophobicContact CD1-CB 4.39Å; Y179-C190 VanDerWaalsContact CD1-SG 3.51Å; Y179-K192 HydrophobicContact CD1-CB 4.18Å; Y179-K192 HydrophobicContact CE1-CB 3.89Å; Y179-K192 HydrophobicContact CE1-CD 4.23Å; Y179-K192 HydrophobicContact CE1-CG 3.96Å; Y179-L193 HydrophobicContact CD1-CB 3.63Å; Y179-L193 HydrophobicContact CD1-CD1 4.37Å; Y179-L193 HydrophobicContact CD2-CD1 3.87Å; Y179-L193 HydrophobicContact CE1-CB 3.62Å; Y179-L193 HydrophobicContact CE1-CD1 4.05Å; Y179-L193 HydrophobicContact CE1-CG 4.44Å; Y179-L193 HydrophobicContact CE2-CD1 3.53Å; Y179-L193 HydrophobicContact CG-CB 4.09Å; Y179-L193 HydrophobicContact CG-CD1 4.25Å; Y179-L196 WeakPolarHBondContact OH-CD1 3.47Å
180C79.3Confident69Low42 Ų4281.4 Ų81.428%0.28445%0.449SS..THydrogen-bonded Turntrans-103.7-5.6-178.571.40000114.1G182 H185 C190 K192C180-G182 PolarHBondContact O-N 2.88Å; C180-G182 PolarHBondContact SG-N 3.15Å; C180-H185 VanDerWaalsContact SG-CE1 3.5Å; C180-H185 PolarHBondContact SG-NE2 3.39Å; C180-C190 PolarHBondContact SG-SG 3.15Å; C180-K192 HydrophobicContact CB-CB 3.71Å; C180-K192 HydrophobicContact CB-CD 3.73Å; C180-K192 HydrophobicContact CB-CG 4.34Å
181G69.6Low70.4Confident15 Ų1577.9 Ų77.916%0.15543%0.434CS..  trans72.60.8-171.500000114.4S165 C177S165-G181 WeakPolarHBondContact OG-CA 3.29Å; C177-G181 WeakPolarHBondContact O-CA 3.44Å; C177-G181 PolarHBondContact O-N 3.35Å
182G72.4Confident71.7Confident23 Ų2376.4 Ų76.424%0.23742%0.423CS..  trans-69.8137.1-177.500000112.2G176 C177 C180G176-G182 CarbonylContact C-O 3.59Å; G176-G182 WeakPolarHBondContact CA-O 3.39Å; C177-G182 WeakPolarHBondContact CB-O 3.45Å; C177-G182 PolarHBondContact N-O 3.34Å; C180-G182 PolarHBondContact O-N 2.88Å; C180-G182 PolarHBondContact SG-N 3.15Å
183L71.6Confident72.9Confident123 Ų12375.2 Ų75.264%0.64440%0.403SS*.THydrogen-bonded Turntrans-73.9159.2173.5-62.7172.3000111.1L169 H185L169-L183 HydrophobicContact CD2-CD2 3.27Å; L183-H185 PolarHBondContact O-N 3.18Å; L183-H185 PolarHBondContact O-ND1 3.43Å
184G71.6Confident74.2Confident76 Ų7671.6 Ų71.678%0.78439%0.386SS*.THydrogen-bonded Turntrans82.22.9169.400000116.9
185H74.8Confident75.3Confident39 Ų3968.1 Ų68.118%0.18137%0.371CS..SBendtrans-148155.2174.266.4-80.2000111.3G176 C177 C180 L183 D189 C190 P191G176-H185 CarbonylContact C-O 3.59Å; C177-H185 VanDerWaalsContact CA-O 3.29Å; C177-H185 WeakPolarHBondContact CA-O 3.21Å; C177-H185 VanDerWaalsContact CB-CD2 3.42Å; C177-H185 WeakPolarHBondContact CB-CD2 3.03Å; C177-H185 WeakPolarHBondContact CB-NE2 3.33Å; C177-H185 VanDerWaalsContact CB-O 3.32Å; C177-H185 WeakPolarHBondContact CB-O 3.36Å; C177-H185 PolarHBondContact N-O 3.43Å; C177-H185 PolarHBondContact SG-NE2 3Å; C180-H185 VanDerWaalsContact SG-CE1 3.5Å; C180-H185 PolarHBondContact SG-NE2 3.39Å; L183-H185 PolarHBondContact O-N 3.18Å; L183-H185 PolarHBondContact O-ND1 3.43Å; H185-D189 HydrophobicContact CB-CB 4.19Å; H185-D189 PolarHBondContact CD2-O 3.08Å; H185-D189 VanDerWaalsContact CD2-O 3.31Å; H185-C190 WeakPolarHBondContact CD2-CA 3.5Å; H185-P191 WeakPolarHBondContact NE2-CD 3.26Å
186R77.1Confident76.2Confident159 Ų15961.7 Ų61.760%0.635%0.351SS*.  trans-86.5165.5172.6-67.6-174.4178.4-159.41.5109.9T188 D189 C190R186-T188 WeakPolarHBondContact CB-OG1 3.43Å; R186-T188 PolarHBondContact O-N 3.28Å; R186-D189 CarbonylContact O-C 3.59Å; R186-D189 PolarHBondContact O-N 2.95Å; R186-C190 PolarHBondContact O-N 3.25Å
187I75.9Confident76.8Confident65 Ų6565.8 Ų65.833%0.33337%0.368SS..G310 helixtrans-52.2-30.4173.8-174.1163.6000113.3D189 C190 L193I187-D189 PolarHBondContact O-N 3.48Å; I187-C190 WeakPolarHBondContact O-CB 3.47Å; I187-C190 PolarHBondContact O-N 3.18Å; I187-L193 HydrophobicContact CG1-CD2 4.1Å
188T77.8Confident77.1Confident112 Ų11268.3 Ų68.369%0.68739%0.386SS*.G310 helixtrans-61-24.7175.1440000113.8R186R186-T188 WeakPolarHBondContact CB-OG1 3.43Å; R186-T188 PolarHBondContact O-N 3.28Å
189D79.7Confident77.5Confident106 Ų10671.1 Ų71.157%0.56739%0.392SS*.G310 helixtrans-120.625.3-172.9-49.3-67.9000110.5H185 R186 I187 P191H185-D189 HydrophobicContact CB-CB 4.19Å; H185-D189 PolarHBondContact CD2-O 3.08Å; H185-D189 VanDerWaalsContact CD2-O 3.31Å; R186-D189 CarbonylContact O-C 3.59Å; R186-D189 PolarHBondContact O-N 2.95Å; I187-D189 PolarHBondContact O-N 3.48Å; D189-P191 VanDerWaalsContact O-CD 3.27Å; D189-P191 WeakPolarHBondContact O-CD 3.34Å
190C81.7Confident77.4Confident3 Ų375 Ų752%0.0241%0.407CS..  trans-79.4114.4-173.4-174.50000112.9C177 Y179 C180 H185 R186 I187 K192 L193 E194C177-C190 WeakPolarHBondContact SG-CB 3.48Å; C177-C190 PolarHBondContact SG-SG 2.87Å; Y179-C190 HydrophobicContact CD1-CB 4.39Å; Y179-C190 VanDerWaalsContact CD1-SG 3.51Å; C180-C190 PolarHBondContact SG-SG 3.15Å; H185-C190 WeakPolarHBondContact CD2-CA 3.5Å; R186-C190 PolarHBondContact O-N 3.25Å; I187-C190 WeakPolarHBondContact O-CB 3.47Å; I187-C190 PolarHBondContact O-N 3.18Å; C190-K192 VanDerWaalsContact C-N 3.25Å; C190-K192 PolarHBondContact O-N 3.48Å; C190-L193 HydrophobicContact CB-CB 3.69Å; C190-L193 WeakPolarHBondContact O-CB 3.43Å; C190-L193 PolarHBondContact O-N 2.73Å; C190-E194 WeakPolarHBondContact O-CB 3.5Å; C190-E194 PolarHBondContact O-N 3.04Å
191P82.1Confident77.2Confident77 Ų7778.7 Ų78.750%0.542%0.423SS..Hα-helixtrans-65.9-30.3-179.526.4-33.6000111.9H185 D189 S195H185-P191 WeakPolarHBondContact NE2-CD 3.26Å; D189-P191 VanDerWaalsContact O-CD 3.27Å; D189-P191 WeakPolarHBondContact O-CD 3.34Å; P191-S195 VanDerWaalsContact O-CB 3.32Å; P191-S195 WeakPolarHBondContact O-CB 3.26Å; P191-S195 PolarHBondContact O-N 3.41Å
192K80.3Confident77.4Confident104 Ų10484.2 Ų84.245%0.45245%0.445SS..Hα-helixtrans-65.8-44.2173.8-163.3-177.6179-168.50110.3Y179 C180 C190 S195 L196Y179-K192 HydrophobicContact CD1-CB 4.18Å; Y179-K192 HydrophobicContact CE1-CB 3.89Å; Y179-K192 HydrophobicContact CE1-CD 4.23Å; Y179-K192 HydrophobicContact CE1-CG 3.96Å; C180-K192 HydrophobicContact CB-CB 3.71Å; C180-K192 HydrophobicContact CB-CD 3.73Å; C180-K192 HydrophobicContact CB-CG 4.34Å; C190-K192 VanDerWaalsContact C-N 3.25Å; C190-K192 PolarHBondContact O-N 3.48Å; K192-S195 PolarHBondContact O-N 3.17Å; K192-S195 PolarHBondContact O-OG 2.84Å; K192-L196 PolarHBondContact O-N 3.36Å; K192-L196 VanDerWaalsContact O-N 3.15Å
193L80.9Confident77.1Confident30 Ų3089.1 Ų89.116%0.15746%0.463CS..Hα-helixtrans-64.8-45.3177.6-175.462.9000110.9Y179 I187 C190 S195 L196 Q197Y179-L193 HydrophobicContact CD1-CB 3.63Å; Y179-L193 HydrophobicContact CD1-CD1 4.37Å; Y179-L193 HydrophobicContact CD2-CD1 3.87Å; Y179-L193 HydrophobicContact CE1-CB 3.62Å; Y179-L193 HydrophobicContact CE1-CD1 4.05Å; Y179-L193 HydrophobicContact CE1-CG 4.44Å; Y179-L193 HydrophobicContact CE2-CD1 3.53Å; Y179-L193 HydrophobicContact CG-CB 4.09Å; Y179-L193 HydrophobicContact CG-CD1 4.25Å; I187-L193 HydrophobicContact CG1-CD2 4.1Å; C190-L193 HydrophobicContact CB-CB 3.69Å; C190-L193 WeakPolarHBondContact O-CB 3.43Å; C190-L193 PolarHBondContact O-N 2.73Å; L193-S195 VanDerWaalsContact C-N 3.32Å; L193-S195 PolarHBondContact O-N 3.39Å; L193-L196 PolarHBondContact O-N 3.02Å; L193-L196 VanDerWaalsContact O-N 3.15Å; L193-Q197 WeakPolarHBondContact O-CG 3.37Å; L193-Q197 PolarHBondContact O-N 3.13Å
194E83Confident76.7Confident122 Ų12288.8 Ų88.857%0.5746%0.46SS*.Hα-helixtrans-59.7-42.3177.1-171.5-179.6-169.900111.5C190 L196 Q197 S198C190-E194 WeakPolarHBondContact O-CB 3.5Å; C190-E194 PolarHBondContact O-N 3.04Å; E194-L196 VanDerWaalsContact C-N 3.32Å; E194-L196 PolarHBondContact O-N 2.97Å; E194-Q197 PolarHBondContact O-N 3.29Å; E194-S198 VanDerWaalsContact O-CB 3.31Å; E194-S198 WeakPolarHBondContact O-CB 3.33Å; E194-S198 PolarHBondContact O-N 2.89Å; E194-S198 PolarHBondContact O-OG 2.92Å
195S82.3Confident76.1Confident53 Ų5388.7 Ų88.737%0.37145%0.447SS..Hα-helixtrans-62.5-38.5176.280.50000112.3P191 K192 L193 S198 K199P191-S195 VanDerWaalsContact O-CB 3.32Å; P191-S195 WeakPolarHBondContact O-CB 3.26Å; P191-S195 PolarHBondContact O-N 3.41Å; K192-S195 PolarHBondContact O-N 3.17Å; K192-S195 PolarHBondContact O-OG 2.84Å; L193-S195 VanDerWaalsContact C-N 3.32Å; L193-S195 PolarHBondContact O-N 3.39Å; S195-S198 PolarHBondContact O-N 2.95Å; S195-K199 WeakPolarHBondContact O-CG 3.46Å; S195-K199 PolarHBondContact O-N 3.49Å
196L77.7Confident75.5Confident52 Ų5296 Ų9627%0.27247%0.473SS..Hα-helixtrans-72.1-41.5179.4-123.7154.4000111.1Y179 K192 L193 E194 K199 R200Y179-L196 WeakPolarHBondContact OH-CD1 3.47Å; K192-L196 PolarHBondContact O-N 3.36Å; K192-L196 VanDerWaalsContact O-N 3.15Å; L193-L196 PolarHBondContact O-N 3.02Å; L193-L196 VanDerWaalsContact O-N 3.15Å; E194-L196 VanDerWaalsContact C-N 3.32Å; E194-L196 PolarHBondContact O-N 2.97Å; L196-K199 PolarHBondContact O-N 3.39Å; L196-R200 WeakPolarHBondContact O-CB 3.27Å; L196-R200 PolarHBondContact O-N 3.37Å
197Q78.8Confident74.4Confident94 Ų9496 Ų9644%0.43948%0.477SS..Hα-helixtrans-61.4-43.4172.2-71.7178.2-4.400111.8L193 E194 R200 L201L193-Q197 WeakPolarHBondContact O-CG 3.37Å; L193-Q197 PolarHBondContact O-N 3.13Å; E194-Q197 PolarHBondContact O-N 3.29Å; Q197-R200 WeakPolarHBondContact O-CB 3.45Å; Q197-R200 PolarHBondContact O-N 2.95Å; Q197-L201 WeakPolarHBondContact O-CG 3.41Å; Q197-L201 PolarHBondContact O-N 3.36Å
198S80.9Confident73.3Confident53 Ų5398.2 Ų98.237%0.37149%0.49SS..Hα-helixtrans-62.7-46177.6-63.70000112E194 S195 R200 L201 Q202E194-S198 VanDerWaalsContact O-CB 3.31Å; E194-S198 WeakPolarHBondContact O-CB 3.33Å; E194-S198 PolarHBondContact O-N 2.89Å; E194-S198 PolarHBondContact O-OG 2.92Å; S195-S198 PolarHBondContact O-N 2.95Å; S198-R200 VanDerWaalsContact C-N 3.27Å; S198-R200 PolarHBondContact O-N 3.22Å; S198-L201 PolarHBondContact O-N 3.43Å; S198-Q202 WeakPolarHBondContact O-CG 3.45Å; S198-Q202 PolarHBondContact O-N 3.26Å
199K78Confident72.1Confident118 Ų118100.4 Ų100.451%0.51349%0.487SS..Hα-helixtrans-59.1-40.2173.9-77.3175.1179.9177.80111.4S195 L196 Q202 M203S195-K199 WeakPolarHBondContact O-CG 3.46Å; S195-K199 PolarHBondContact O-N 3.49Å; L196-K199 PolarHBondContact O-N 3.39Å; K199-Q202 PolarHBondContact O-N 3.13Å; K199-M203 WeakPolarHBondContact O-CG 3.36Å; K199-M203 PolarHBondContact O-N 3.4Å
200R70.5Confident70.8Confident110 Ų110101.2 Ų101.242%0.41549%0.491SS..Hα-helixtrans-66-43.7178.3-162.5177.8-173.8-176.71.2112.2E149 L196 Q197 S198 M203 M204E149-R200 IonicContact OE1-CZ 3.87Å; E149-R200 IonicContact OE1-NH1 3.86Å; E149-R200 PolarHBondContact OE1-NH1 3.34Å; E149-R200 IonicContact OE2-NH1 4Å; L196-R200 WeakPolarHBondContact O-CB 3.27Å; L196-R200 PolarHBondContact O-N 3.37Å; Q197-R200 WeakPolarHBondContact O-CB 3.45Å; Q197-R200 PolarHBondContact O-N 2.95Å; S198-R200 VanDerWaalsContact C-N 3.27Å; S198-R200 PolarHBondContact O-N 3.22Å; R200-M203 PolarHBondContact O-N 2.77Å; R200-M204 WeakPolarHBondContact O-CG 3.48Å; R200-M204 PolarHBondContact O-N 2.75Å
201L74.5Confident69.6Low118 Ų118103.9 Ų103.962%0.61851%0.512SS*.Hα-helixtrans-62.1-42175.1-75.9161.3000111.7Q197 S198 M203 M204 S205Q197-L201 WeakPolarHBondContact O-CG 3.41Å; Q197-L201 PolarHBondContact O-N 3.36Å; S198-L201 PolarHBondContact O-N 3.43Å; L201-M203 VanDerWaalsContact C-N 3.35Å; L201-M203 PolarHBondContact O-N 2.77Å; L201-M204 PolarHBondContact O-N 3.27Å; L201-S205 WeakPolarHBondContact O-CB 3.16Å; L201-S205 PolarHBondContact O-N 2.82Å
202Q73.3Confident68.3Low132 Ų132103.1 Ų103.162%0.61751%0.509SS*.Hα-helixtrans-63.6-39175.8-73.2176.8-2.300112.4S198 K199 R206S198-Q202 WeakPolarHBondContact O-CG 3.45Å; S198-Q202 PolarHBondContact O-N 3.26Å; K199-Q202 PolarHBondContact O-N 3.13Å; Q202-R206 PolarHBondContact O-N 2.77Å
203M66.9Low66.9Low126 Ų126103.4 Ų103.462%0.62152%0.515SS*.Hα-helixtrans-68.5-35.6175.4-73.1-164-175.100112.8K199 R200 L201 K207K199-M203 WeakPolarHBondContact O-CG 3.36Å; K199-M203 PolarHBondContact O-N 3.4Å; R200-M203 PolarHBondContact O-N 2.77Å; L201-M203 VanDerWaalsContact C-N 3.35Å; L201-M203 PolarHBondContact O-N 2.77Å; M203-K207 PolarHBondContact O-N 3.05Å
204M62.7Low65.6Low115 Ų115107.5 Ų107.557%0.56754%0.542SS*.Hα-helixtrans-68.9-45.6174.7-69.7178.47000111.3R200 L201 R206 K207 D208R200-M204 WeakPolarHBondContact O-CG 3.48Å; R200-M204 PolarHBondContact O-N 2.75Å; L201-M204 PolarHBondContact O-N 3.27Å; M204-R206 VanDerWaalsContact C-N 3.34Å; M204-R206 PolarHBondContact O-N 2.56Å; M204-K207 WeakPolarHBondContact O-CA 3.36Å; M204-K207 WeakPolarHBondContact O-CB 3.3Å; M204-K207 PolarHBondContact O-N 3.24Å; M204-D208 PolarHBondContact O-N 3.47Å; M204-D208 VanDerWaalsContact O-N 3.09Å
205S60.3Low64.3Low74 Ų74105.4 Ų105.452%0.51755%0.546SS..Hα-helixtrans-62.4-38.4177.6179.30000112.6L201 K207 D208 Y209L201-S205 WeakPolarHBondContact O-CB 3.16Å; L201-S205 PolarHBondContact O-N 2.82Å; S205-K207 VanDerWaalsContact C-N 3.25Å; S205-K207 PolarHBondContact O-N 3.29Å; S205-D208 PolarHBondContact O-N 3.3Å; S205-Y209 WeakPolarHBondContact O-CB 3.26Å; S205-Y209 PolarHBondContact O-N 3.23Å
206R60.5Low62.5Low194 Ų194109 Ų10973%0.73256%0.56SS**Hα-helixtrans-62.3-32.7172.3-85.5-173.4174.7174.4-0.1112.8Q202 M204 L210Q202-R206 PolarHBondContact O-N 2.77Å; M204-R206 VanDerWaalsContact C-N 3.34Å; M204-R206 PolarHBondContact O-N 2.56Å; R206-L210 WeakPolarHBondContact O-CB 3.38Å; R206-L210 VanDerWaalsContact O-CG 3.31Å; R206-L210 WeakPolarHBondContact O-CG 3.32Å; R206-L210 PolarHBondContact O-N 3.2Å; R206-L210 VanDerWaalsContact O-N 3.11Å
207K54.3Low61.1Low157 Ų157121.8 Ų121.868%0.68361%0.605SS**Hα-helixtrans-70.6-38176.3-117.3178.2179.6177.70111.8M203 M204 S205 A211M203-K207 PolarHBondContact O-N 3.05Å; M204-K207 WeakPolarHBondContact O-CA 3.36Å; M204-K207 WeakPolarHBondContact O-CB 3.3Å; M204-K207 PolarHBondContact O-N 3.24Å; S205-K207 VanDerWaalsContact C-N 3.25Å; S205-K207 PolarHBondContact O-N 3.29Å; K207-A211 VanDerWaalsContact O-CB 3.25Å; K207-A211 WeakPolarHBondContact O-CB 3.44Å; K207-A211 PolarHBondContact O-N 3.18Å
208D53.7Low60.2Low112 Ų112123.2 Ų123.260%0.59961%0.614SS**Hα-helixtrans-74.7-32.6177.4-62.6-25.5000112.1M204 S205 A211 S212M204-D208 PolarHBondContact O-N 3.47Å; M204-D208 VanDerWaalsContact O-N 3.09Å; S205-D208 PolarHBondContact O-N 3.3Å; D208-A211 PolarHBondContact O-N 3.42Å; D208-S212 WeakPolarHBondContact O-CB 3.47Å; D208-S212 PolarHBondContact O-N 3.19Å; D208-S212 PolarHBondContact O-OG 3.33Å
209Y51.3Low59.1Low158 Ų158126.8 Ų126.862%0.6263%0.626SS**Hα-helixtrans-70.4-36.2175.2-146.4-85.6000112.4S205 S212 N213S205-Y209 WeakPolarHBondContact O-CB 3.26Å; S205-Y209 PolarHBondContact O-N 3.23Å; Y209-S212 WeakPolarHBondContact CA-OG 3.29Å; Y209-S212 PolarHBondContact O-OG 3.45Å; Y209-N213 PolarHBondContact O-N 3.13Å
210L54.2Low58.1Low124 Ų124127.3 Ų127.365%0.64963%0.633SS**Hα-helixtrans-76.1-32.9174.5-70.4171.1000112.3R206 T214R206-L210 WeakPolarHBondContact O-CB 3.38Å; R206-L210 VanDerWaalsContact O-CG 3.31Å; R206-L210 WeakPolarHBondContact O-CG 3.32Å; R206-L210 PolarHBondContact O-N 3.2Å; R206-L210 VanDerWaalsContact O-N 3.11Å; L210-T214 WeakPolarHBondContact O-CG2 3.2Å; L210-T214 PolarHBondContact O-OG1 3.16Å
211A56.3Low57.4Low58 Ų58128.4 Ų128.448%0.47965%0.645SS.*Hα-helixtrans-73.6-31.6176.800000113K207 D208 T214K207-A211 VanDerWaalsContact O-CB 3.25Å; K207-A211 WeakPolarHBondContact O-CB 3.44Å; K207-A211 PolarHBondContact O-N 3.18Å; D208-A211 PolarHBondContact O-N 3.42Å; A211-T214 PolarHBondContact O-OG1 3.37Å
212S53.6Low56.3Low61 Ų61129 Ų12943%0.42765%0.647SS.*Hα-helixtrans-74.4-35.6175.6480000112.8D208 Y209 T214 A215D208-S212 WeakPolarHBondContact O-CB 3.47Å; D208-S212 PolarHBondContact O-N 3.19Å; D208-S212 PolarHBondContact O-OG 3.33Å; Y209-S212 WeakPolarHBondContact CA-OG 3.29Å; Y209-S212 PolarHBondContact O-OG 3.45Å; S212-T214 VanDerWaalsContact C-N 3.3Å; S212-T214 PolarHBondContact O-N 3.22Å; S212-A215 PolarHBondContact O-N 3.04Å
213N52Low55.1Low110 Ų110128.8 Ų128.859%0.58865%0.649SS**THydrogen-bonded Turntrans-78.7-7.9179.3-86.1-4.9000114.8Y209Y209-N213 PolarHBondContact O-N 3.13Å
214T53.7Low54.3Low117 Ų117129 Ų12972%0.71865%0.651SS**THydrogen-bonded Turntrans-97.50.817551.20000113.6L210 A211 S212L210-T214 WeakPolarHBondContact O-CG2 3.2Å; L210-T214 PolarHBondContact O-OG1 3.16Å; A211-T214 PolarHBondContact O-OG1 3.37Å; S212-T214 VanDerWaalsContact C-N 3.3Å; S212-T214 PolarHBondContact O-N 3.22Å
215A54.7Low53.7Low78 Ų78130.1 Ų130.165%0.64566%0.658SS**SBendtrans-99.8-6.5-178.200000114.1S212S212-A215 PolarHBondContact O-N 3.04Å
216D45.2Very low53.1Low127 Ų127134.8 Ų134.868%0.67967%0.67SS**  trans-122.570.5-178.6-73-31000110.5
217W47.9Very low52.4Low321 Ų321129.4 Ų129.4100%1.21666%0.664SS**  trans-170.10154-79.9111000111

Retrieved 217 of 217 residues in 118.6 ms (Link to these results)

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