A0A077Z2E9_TRITR Loading...

GABAA receptor-associated protein

AlphaFold DB , UniProt , Accession A0A077Z2E9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 118 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
1M82.2Confident94.9Very high50 Ų5070.5 Ų70.525%0.24634%0.34CS..  0137.20-172.9152.3175.800112.3W3 E34 K35 A108 Y115 L118M1-W3 HydrophobicContact CE-CZ3 4.42Å; M1-W3 HydrophobicContact SD-CH2 4.48Å; M1-E34 HydrophobicContact CE-CB 4.08Å; M1-K35 WeakPolarHBondContact CE-O 3.3Å; M1-A108 HydrophobicContact CE-CB 4.03Å; M1-A108 HydrophobicContact SD-CB 3.29Å; M1-A108 WeakPolarHBondContact SD-CB 3.33Å; M1-Y115 PolarHBondContact N-OH 2.8Å; M1-L118 WeakPolarHBondContact CA-OXT 3.39Å; M1-L118 WeakPolarHBondContact CB-OXT 3.41Å; M1-L118 HydrophobicContact SD-CD2 3.35Å; M1-L118 WeakPolarHBondContact SD-CD2 2.83Å
2K88.3Confident95.2Very high151 Ų15175 Ų7566%0.65737%0.368SS*.  trans-94.1131.8166.4-166.8-171.6-166.8-142.20108.4D7K2-D7 VanDerWaalsContact CE-OD1 3.25Å; K2-D7 WeakPolarHBondContact CE-OD1 3.35Å; K2-D7 WeakPolarHBondContact CE-OD2 3.48Å; K2-D7 VanDerWaalsContact NZ-CG 3.33Å; K2-D7 IonicContact NZ-OD1 3.14Å; K2-D7 PolarHBondContact NZ-OD1 2.97Å; K2-D7 IonicContact NZ-OD2 3.39Å; K2-D7 PolarHBondContact NZ-OD2 3.35Å
3W94.9Very high95.5Very high31 Ų3178.2 Ų78.212%0.11738%0.379CS..  trans-97.8119.1-177.2-62.494.1000110.4M1 Y5 K6 D7 E34 Y106 I107 A108M1-W3 HydrophobicContact CE-CZ3 4.42Å; M1-W3 HydrophobicContact SD-CH2 4.48Å; W3-Y5 VanDerWaalsContact C-N 3.27Å; W3-Y5 PolarHBondContact O-N 3.04Å; W3-K6 HydrophobicContact CB-CB 4.04Å; W3-K6 HydrophobicContact CB-CD 3.87Å; W3-K6 HydrophobicContact CB-CG 3.63Å; W3-K6 VanDerWaalsContact CD1-CE 3.45Å; W3-K6 HydrophobicContact CG-CD 4.06Å; W3-K6 HydrophobicContact CG-CG 4.27Å; W3-K6 PolarHBondContact O-N 3.26Å; W3-K6 VanDerWaalsContact O-N 3.13Å; W3-D7 PolarHBondContact O-N 2.9Å; W3-E34 WeakPolarHBondContact CA-OE2 3.41Å; W3-E34 HydrophobicContact CE3-CB 4Å; W3-E34 HydrophobicContact CE3-CG 4.01Å; W3-E34 HydrophobicContact CZ3-CB 3.95Å; W3-E34 HydrophobicContact CZ3-CG 4.27Å; W3-Y106 AromaticContact CD2-CD1 3.61Å; W3-Y106 HydrophobicContact CD2-CD1 3.61Å; W3-Y106 HydrophobicContact CD2-CE1 4.38Å; W3-Y106 HydrophobicContact CD2-CG 4.31Å; W3-Y106 AromaticContact CE2-CD1 3.95Å; W3-Y106 AromaticContact CE3-CD1 3.68Å; W3-Y106 HydrophobicContact CE3-CD1 3.68Å; W3-Y106 HydrophobicContact CG-CD1 4.05Å; W3-Y106 HydrophobicContact CG-CE1 4.43Å; W3-Y106 HydrophobicContact CH2-CD1 4.4Å; W3-Y106 HydrophobicContact CZ2-CD1 4.37Å; W3-Y106 HydrophobicContact CZ2-CG 4.34Å; W3-Y106 HydrophobicContact CZ3-CD1 4.07Å; W3-I107 VanDerWaalsContact CH2-C 3.45Å; W3-A108 HydrophobicContact CH2-CB 3.94Å
4Q95.4Very high95.7Very high95 Ų9574.3 Ų74.344%0.44436%0.358SS..Hα-helixtrans-63.2-38177.6-178.9-179.38.500110.5K6 D7 E8 E34Q4-K6 PolarHBondContact O-N 3.01Å; Q4-D7 WeakPolarHBondContact O-CB 3.48Å; Q4-D7 PolarHBondContact O-N 3.05Å; Q4-D7 VanDerWaalsContact O-N 3.11Å; Q4-E8 HydrophobicContact CG-CG 4.24Å; Q4-E8 VanDerWaalsContact CG-OE1 3.3Å; Q4-E8 WeakPolarHBondContact CG-OE1 3.34Å; Q4-E8 PolarHBondContact NE2-OE1 3.48Å; Q4-E8 WeakPolarHBondContact O-CG 3.22Å; Q4-E8 PolarHBondContact O-N 3.24Å; Q4-E34 PolarHBondContact N-OE2 2.94Å
5Y97.2Very high95.9Very high16 Ų1676.9 Ų76.96%0.06336%0.362CS..Hα-helixtrans-55.7-37.5174.9-178.3-105.4000113.1W3 N9 R14 E17 I32 E34 Y106W3-Y5 VanDerWaalsContact C-N 3.27Å; W3-Y5 PolarHBondContact O-N 3.04Å; Y5-N9 WeakPolarHBondContact CD2-ND2 3.37Å; Y5-N9 WeakPolarHBondContact CE2-ND2 3.23Å; Y5-N9 VanDerWaalsContact O-CB 3.31Å; Y5-N9 WeakPolarHBondContact O-CB 3.16Å; Y5-N9 PolarHBondContact O-N 2.97Å; Y5-N9 PolarHBondContact O-ND2 3.41Å; Y5-R14 HydrophobicContact CD1-CG 4.49Å; Y5-R14 HydrophobicContact CE1-CG 3.78Å; Y5-E17 PolarHBondContact OH-OE2 2.8Å; Y5-I32 HydrophobicContact CD1-CD1 3.75Å; Y5-I32 HydrophobicContact CD1-CG1 3.67Å; Y5-I32 HydrophobicContact CD1-CG2 4.23Å; Y5-I32 HydrophobicContact CD2-CD1 4.05Å; Y5-I32 HydrophobicContact CE1-CD1 3.62Å; Y5-I32 HydrophobicContact CE1-CG1 3.8Å; Y5-I32 HydrophobicContact CE2-CD1 3.96Å; Y5-I32 HydrophobicContact CG-CD1 3.95Å; Y5-I32 HydrophobicContact CG-CG1 4.17Å; Y5-I32 HydrophobicContact CG-CG2 4.07Å; Y5-E34 PolarHBondContact N-OE1 3.04Å; Y5-Y106 AromaticContact CD1-CE1 4Å; Y5-Y106 HydrophobicContact CD1-CE1 4Å
6K97.8Very high96.1Very high46 Ų4675.7 Ų75.720%0.237%0.37CS..Hα-helixtrans-76.1-32.1179-59.6-172.6-170.8174.70112.4W3 Q4 N9 E100 Y106W3-K6 HydrophobicContact CB-CB 4.04Å; W3-K6 HydrophobicContact CB-CD 3.87Å; W3-K6 HydrophobicContact CB-CG 3.63Å; W3-K6 VanDerWaalsContact CD1-CE 3.45Å; W3-K6 HydrophobicContact CG-CD 4.06Å; W3-K6 HydrophobicContact CG-CG 4.27Å; W3-K6 PolarHBondContact O-N 3.26Å; W3-K6 VanDerWaalsContact O-N 3.13Å; Q4-K6 PolarHBondContact O-N 3.01Å; K6-N9 VanDerWaalsContact O-O 3.08Å; K6-E100 WeakPolarHBondContact CE-OE2 3.42Å; K6-E100 IonicContact NZ-OE1 2.75Å; K6-E100 PolarHBondContact NZ-OE1 3.08Å; K6-E100 IonicContact NZ-OE2 3.33Å; K6-E100 PolarHBondContact NZ-OE2 2.94Å; K6-Y106 HydrophobicContact CD-CE1 4.26Å; K6-Y106 HydrophobicContact CG-CE1 3.9Å
7D96.8Very high96.2Very high94 Ų9474.7 Ų74.750%0.50336%0.364SS..Hα-helixtrans-67.5-40.3173.3-70.9-24.3000111.2K2 W3 Q4K2-D7 VanDerWaalsContact CE-OD1 3.25Å; K2-D7 WeakPolarHBondContact CE-OD1 3.35Å; K2-D7 WeakPolarHBondContact CE-OD2 3.48Å; K2-D7 VanDerWaalsContact NZ-CG 3.33Å; K2-D7 IonicContact NZ-OD1 3.14Å; K2-D7 PolarHBondContact NZ-OD1 2.97Å; K2-D7 IonicContact NZ-OD2 3.39Å; K2-D7 PolarHBondContact NZ-OD2 3.35Å; W3-D7 PolarHBondContact O-N 2.9Å; Q4-D7 WeakPolarHBondContact O-CB 3.48Å; Q4-D7 PolarHBondContact O-N 3.05Å; Q4-D7 VanDerWaalsContact O-N 3.11Å
8E97.2Very high96.3Very high114 Ų11470.6 Ų70.653%0.53334%0.344SS..Hα-helixtrans-81-18.8-177.7-68.8174.4176.200113.6Q4Q4-E8 HydrophobicContact CG-CG 4.24Å; Q4-E8 VanDerWaalsContact CG-OE1 3.3Å; Q4-E8 WeakPolarHBondContact CG-OE1 3.34Å; Q4-E8 PolarHBondContact NE2-OE1 3.48Å; Q4-E8 WeakPolarHBondContact O-CG 3.22Å; Q4-E8 PolarHBondContact O-N 3.24Å
9N97.9Very high96.4Very high19 Ų1971.5 Ų71.510%0.10235%0.348CS..SBendtrans-130108.5-175.6-59.8-85.5000110.7Y5 K6 K13 R14Y5-N9 WeakPolarHBondContact CD2-ND2 3.37Å; Y5-N9 WeakPolarHBondContact CE2-ND2 3.23Å; Y5-N9 VanDerWaalsContact O-CB 3.31Å; Y5-N9 WeakPolarHBondContact O-CB 3.16Å; Y5-N9 PolarHBondContact O-N 2.97Å; Y5-N9 PolarHBondContact O-ND2 3.41Å; K6-N9 VanDerWaalsContact O-O 3.08Å; N9-K13 PolarHBondContact OD1-NZ 2.89Å; N9-R14 HydrophobicContact CB-CG 3.65Å; N9-R14 WeakPolarHBondContact O-CD 3.47Å; N9-R14 WeakPolarHBondContact O-CG 3.45Å; N9-R14 PolarHBondContact O-NE 3.13Å; N9-R14 VanDerWaalsContact O-NE 3.13Å
10P98.1Very high96.5Very high87 Ų8775.8 Ų75.857%0.56536%0.364SS*.  trans-53.7149175.6-26.234000112.2D12 K13 R14P10-D12 VanDerWaalsContact C-N 3.34Å; P10-D12 PolarHBondContact O-N 2.88Å; P10-K13 WeakPolarHBondContact O-CB 3.46Å; P10-K13 PolarHBondContact O-N 3.31Å; P10-R14 PolarHBondContact O-N 2.63Å; P10-R14 VanDerWaalsContact O-N 3.08Å
11F98.6Very high96.6Very high72 Ų7274 Ų7432%0.31636%0.357SS..Hα-helixtrans-50.8-48.9-175.2176-101.1000113.1K13 R14 R15 E101 D102F11-K13 PolarHBondContact O-N 3.14Å; F11-R14 PolarHBondContact O-N 3.24Å; F11-R14 VanDerWaalsContact O-N 3.08Å; F11-R15 HydrophobicContact CE1-CB 4.47Å; F11-R15 HydrophobicContact CZ-CB 4.49Å; F11-R15 WeakPolarHBondContact O-CB 3.38Å; F11-R15 PolarHBondContact O-N 3.07Å; F11-E101 HydrophobicContact CE2-CB 4.04Å; F11-E101 HydrophobicContact CZ-CB 4.08Å; F11-D102 HydrophobicContact CD2-CB 4.17Å; F11-D102 HydrophobicContact CE2-CB 3.96Å
12D98.5Very high97.4Very high125 Ų12574.7 Ų74.767%0.66836%0.356SS*.Hα-helixtrans-60.7-35.6-178.1-61.2-32.1000112.5P10 A16P10-D12 VanDerWaalsContact C-N 3.34Å; P10-D12 PolarHBondContact O-N 2.88Å; D12-A16 VanDerWaalsContact O-CB 3.25Å; D12-A16 WeakPolarHBondContact O-CB 3.25Å; D12-A16 PolarHBondContact O-N 3.44Å
13K98.4Very high97.8Very high117 Ų11776.4 Ų76.451%0.50936%0.364SS..Hα-helixtrans-69.1-44.1176.1-175.2-172.5174.7-160.90111N9 P10 F11 E17N9-K13 PolarHBondContact OD1-NZ 2.89Å; P10-K13 WeakPolarHBondContact O-CB 3.46Å; P10-K13 PolarHBondContact O-N 3.31Å; F11-K13 PolarHBondContact O-N 3.14Å; K13-E17 WeakPolarHBondContact O-CB 3.16Å; K13-E17 PolarHBondContact O-N 3.39Å; K13-E17 VanDerWaalsContact O-N 3.07Å
14R98.6Very high98Very high23 Ų2381.3 Ų81.39%0.08739%0.386CS..Hα-helixtrans-61.2-51.7176.3-66.2-171.5-73.9130.2-2.3110.3Y5 N9 P10 F11 A16 E17 G18 D102 F104 Y106Y5-R14 HydrophobicContact CD1-CG 4.49Å; Y5-R14 HydrophobicContact CE1-CG 3.78Å; N9-R14 HydrophobicContact CB-CG 3.65Å; N9-R14 WeakPolarHBondContact O-CD 3.47Å; N9-R14 WeakPolarHBondContact O-CG 3.45Å; N9-R14 PolarHBondContact O-NE 3.13Å; N9-R14 VanDerWaalsContact O-NE 3.13Å; P10-R14 PolarHBondContact O-N 2.63Å; P10-R14 VanDerWaalsContact O-N 3.08Å; F11-R14 PolarHBondContact O-N 3.24Å; F11-R14 VanDerWaalsContact O-N 3.08Å; R14-A16 PolarHBondContact O-N 3.41Å; R14-E17 WeakPolarHBondContact O-CB 3.4Å; R14-E17 PolarHBondContact O-N 2.81Å; R14-E17 VanDerWaalsContact O-N 3.13Å; R14-G18 PolarHBondContact O-N 2.9Å; R14-D102 HydrophobicContact CB-CB 3.83Å; R14-D102 WeakPolarHBondContact CB-OD2 3.37Å; R14-D102 WeakPolarHBondContact CD-OD2 3.42Å; R14-D102 IonicContact CZ-OD2 3.04Å; R14-D102 IonicContact NE-OD2 3.36Å; R14-D102 VanDerWaalsContact NH1-CG 3.31Å; R14-D102 IonicContact NH1-OD2 2.66Å; R14-D102 PolarHBondContact NH1-OD2 2.75Å; R14-F104 WeakPolarHBondContact O-CE2 3.19Å; R14-Y106 PolarHBondContact NH1-OH 3.18Å
15R98.7Very high98.1Very high113 Ų11380.7 Ų80.743%0.42638%0.38SS..Hα-helixtrans-57.5-49.7179.5-175.7176.3173.8168.24.4112.7F11 E17 G18 E19 D102F11-R15 HydrophobicContact CE1-CB 4.47Å; F11-R15 HydrophobicContact CZ-CB 4.49Å; F11-R15 WeakPolarHBondContact O-CB 3.38Å; F11-R15 PolarHBondContact O-N 3.07Å; R15-E17 VanDerWaalsContact C-N 3.27Å; R15-E17 PolarHBondContact O-N 3.37Å; R15-G18 PolarHBondContact O-N 3.11Å; R15-E19 HydrophobicContact CG-CG 4.36Å; R15-E19 IonicContact CZ-OE1 2.6Å; R15-E19 IonicContact NE-OE1 2.86Å; R15-E19 PolarHBondContact NE-OE1 2.86Å; R15-E19 IonicContact NH2-OE1 2.6Å; R15-E19 PolarHBondContact NH2-OE1 2.81Å; R15-E19 WeakPolarHBondContact O-CB 3.4Å; R15-E19 WeakPolarHBondContact O-CG 3.05Å; R15-E19 PolarHBondContact O-N 2.68Å; R15-D102 WeakPolarHBondContact CA-O 3.32Å; R15-D102 HydrophobicContact CB-CB 4.46Å
16A98.6Very high98.2Very high58 Ų5884.5 Ų84.548%0.47941%0.407SS..Hα-helixtrans-61.3-37.1178.200000112.2D12 R14 K20D12-A16 VanDerWaalsContact O-CB 3.25Å; D12-A16 WeakPolarHBondContact O-CB 3.25Å; D12-A16 PolarHBondContact O-N 3.44Å; R14-A16 PolarHBondContact O-N 3.41Å; A16-K20 WeakPolarHBondContact O-CB 3.42Å; A16-K20 PolarHBondContact O-N 2.83Å; A16-K20 VanDerWaalsContact O-N 3.14Å
17E98.3Very high98.2Very high59 Ų5986.4 Ų86.428%0.27642%0.419SS..Hα-helixtrans-67.2-48.1174.8-174.5177.717800111.9Y5 K13 R14 R15 K20 I21 K48 F104Y5-E17 PolarHBondContact OH-OE2 2.8Å; K13-E17 WeakPolarHBondContact O-CB 3.16Å; K13-E17 PolarHBondContact O-N 3.39Å; K13-E17 VanDerWaalsContact O-N 3.07Å; R14-E17 WeakPolarHBondContact O-CB 3.4Å; R14-E17 PolarHBondContact O-N 2.81Å; R14-E17 VanDerWaalsContact O-N 3.13Å; R15-E17 VanDerWaalsContact C-N 3.27Å; R15-E17 PolarHBondContact O-N 3.37Å; E17-K20 PolarHBondContact O-N 3.18Å; E17-I21 WeakPolarHBondContact O-CG2 3.4Å; E17-I21 PolarHBondContact O-N 3.34Å; E17-K48 VanDerWaalsContact CD-NZ 3.33Å; E17-K48 WeakPolarHBondContact OE1-CE 3.3Å; E17-K48 IonicContact OE1-NZ 2.63Å; E17-K48 PolarHBondContact OE1-NZ 3.48Å; E17-K48 IonicContact OE2-NZ 3.24Å; E17-K48 PolarHBondContact OE2-NZ 3.31Å; E17-F104 HydrophobicContact CB-CZ 4.49Å; E17-F104 HydrophobicContact CG-CZ 4.2Å
18G98.5Very high98.2Very high0 Ų086.1 Ų86.10%041%0.411CS..Hα-helixtrans-60.7-48.8-179.800000112R14 R15 K20 I21 R22R14-G18 PolarHBondContact O-N 2.9Å; R15-G18 PolarHBondContact O-N 3.11Å; G18-K20 VanDerWaalsContact C-N 3.35Å; G18-K20 PolarHBondContact O-N 3.22Å; G18-I21 WeakPolarHBondContact O-CG2 3.47Å; G18-I21 PolarHBondContact O-N 2.8Å; G18-R22 WeakPolarHBondContact O-CB 3.41Å; G18-R22 VanDerWaalsContact O-CG 3.23Å; G18-R22 WeakPolarHBondContact O-CG 3.4Å; G18-R22 PolarHBondContact O-N 3.48Å
19E98.4Very high98.3Very high89 Ų8980.8 Ų80.842%0.41639%0.386SS..Hα-helixtrans-59.5-45175.2-71.4177.1-179.100111.6R15 K23 Q103R15-E19 HydrophobicContact CG-CG 4.36Å; R15-E19 IonicContact CZ-OE1 2.6Å; R15-E19 IonicContact NE-OE1 2.86Å; R15-E19 PolarHBondContact NE-OE1 2.86Å; R15-E19 IonicContact NH2-OE1 2.6Å; R15-E19 PolarHBondContact NH2-OE1 2.81Å; R15-E19 WeakPolarHBondContact O-CB 3.4Å; R15-E19 WeakPolarHBondContact O-CG 3.05Å; R15-E19 PolarHBondContact O-N 2.68Å; E19-K23 WeakPolarHBondContact O-CB 3.46Å; E19-K23 PolarHBondContact O-N 2.87Å; E19-Q103 HydrophobicContact CG-CG 3.87Å
20K98.5Very high98.3Very high157 Ų15780 Ų8068%0.68338%0.382SS*.Hα-helixtrans-61.9-45.9178.9-179.9-179-179.6178.70111.9A16 E17 G18 K23 K24A16-K20 WeakPolarHBondContact O-CB 3.42Å; A16-K20 PolarHBondContact O-N 2.83Å; A16-K20 VanDerWaalsContact O-N 3.14Å; E17-K20 PolarHBondContact O-N 3.18Å; G18-K20 VanDerWaalsContact C-N 3.35Å; G18-K20 PolarHBondContact O-N 3.22Å; K20-K23 PolarHBondContact O-N 3.25Å; K20-K24 WeakPolarHBondContact O-CB 3.41Å; K20-K24 PolarHBondContact O-N 3.23Å
21I97.9Very high98.4Very high39 Ų3975.9 Ų75.920%0.236%0.355CS..Hα-helixtrans-72.4-37.5-176.3-16070.2000111.5E17 G18 K24 Y25 P30 L50E17-I21 WeakPolarHBondContact O-CG2 3.4Å; E17-I21 PolarHBondContact O-N 3.34Å; G18-I21 WeakPolarHBondContact O-CG2 3.47Å; G18-I21 PolarHBondContact O-N 2.8Å; I21-K24 PolarHBondContact O-N 3.43Å; I21-Y25 HydrophobicContact CD1-CD2 3.52Å; I21-Y25 HydrophobicContact CD1-CE2 3.58Å; I21-Y25 HydrophobicContact CG1-CD2 4.03Å; I21-Y25 PolarHBondContact O-N 3.08Å; I21-P30 HydrophobicContact CG2-CB 3.77Å; I21-P30 HydrophobicContact CG2-CG 3.89Å; I21-L50 HydrophobicContact CD1-CD2 4.2Å; I21-L50 HydrophobicContact CG1-CD1 3.8Å; I21-L50 HydrophobicContact CG1-CD2 4.1Å
22R97.8Very high98.4Very high64 Ų6472.4 Ų72.424%0.24234%0.34CS..Hα-helixtrans-62.3-40.8173.1-72.6-59.1-55.8-135.14.2112.4G18 K24 Y25 P26 P30G18-R22 WeakPolarHBondContact O-CB 3.41Å; G18-R22 VanDerWaalsContact O-CG 3.23Å; G18-R22 WeakPolarHBondContact O-CG 3.4Å; G18-R22 PolarHBondContact O-N 3.48Å; R22-K24 VanDerWaalsContact C-N 3.34Å; R22-Y25 CarbonylContact O-C 3.53Å; R22-P26 WeakPolarHBondContact O-CA 3.43Å; R22-P30 HydrophobicContact CG-CG 4.31Å
23K98Very high98.4Very high187 Ų18766.5 Ų66.581%0.81331%0.308SS*.Hα-helixtrans-66.9-36.8175.3-172.1176.4-178.2176.70112.1E19 K20E19-K23 WeakPolarHBondContact O-CB 3.46Å; E19-K23 PolarHBondContact O-N 2.87Å; K20-K23 PolarHBondContact O-N 3.25Å
24K98.5Very high98.3Very high134 Ų13461.2 Ų61.258%0.58329%0.286SS*.Hα-helixtrans-75.5-36.1-178.1-170.1176.5179.4-164.10112.9K20 I21 R22K20-K24 WeakPolarHBondContact O-CB 3.41Å; K20-K24 PolarHBondContact O-N 3.23Å; I21-K24 PolarHBondContact O-N 3.43Å; R22-K24 VanDerWaalsContact C-N 3.34Å
25Y98.4Very high98.1Very high82 Ų8262.7 Ų62.732%0.32229%0.292SS..  trans-132.177.6-178.2-55.2-74.7000109.6I21 R22 D27 R28 L50I21-Y25 HydrophobicContact CD1-CD2 3.52Å; I21-Y25 HydrophobicContact CD1-CE2 3.58Å; I21-Y25 HydrophobicContact CG1-CD2 4.03Å; I21-Y25 PolarHBondContact O-N 3.08Å; R22-Y25 CarbonylContact O-C 3.53Å; Y25-D27 PolarHBondContact O-N 3.08Å; Y25-R28 PolarHBondContact O-N 2.83Å; Y25-L50 HydrophobicContact CD2-CD2 3.54Å; Y25-L50 HydrophobicContact CE2-CD2 4.05Å; Y25-L50 HydrophobicContact CG-CD2 3.92Å
26P97.7Very high97.9Very high95 Ų9557.3 Ų57.362%0.61727%0.272SS*.THydrogen-bonded Turntrans-67.2-22-172.426.8-35.1000113.8R22R22-P26 WeakPolarHBondContact O-CA 3.43Å
27D97.9Very high97.5Very high87 Ų8758.9 Ų58.947%0.46528%0.278SS..THydrogen-bonded Turntrans-81.1-0.8174.764-42.4000113.1Y25 S53Y25-D27 PolarHBondContact O-N 3.08Å; D27-S53 WeakPolarHBondContact O-CB 3.45Å; D27-S53 PolarHBondContact O-N 2.99Å; D27-S53 PolarHBondContact O-OG 3.01Å
28R98.6Very high97Very high88 Ų8861.7 Ų61.733%0.33229%0.289SS..EExtended strand (participates in β ladder)trans-126.1150.7-176-59-174.5177.5-115.4-3.5112.8Y25 L50 V51Y25-R28 PolarHBondContact O-N 2.83Å; R28-L50 HydrophobicContact CB-CD1 3.68Å; R28-L50 HydrophobicContact CB-CD2 4.3Å; R28-L50 HydrophobicContact CB-CG 3.7Å; R28-L50 HydrophobicContact CG-CG 4.36Å; R28-V51 CarbonylContact C-O 3.47Å; R28-V51 WeakPolarHBondContact CA-O 3.42Å; R28-V51 WeakPolarHBondContact CB-O 3.39Å
29I98.3Very high96.7Very high1 Ų162.2 Ų62.21%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-110.8134.6177.769.7154.1000110.5V31 L50 V51 M91 Y95 L105I29-V31 HydrophobicContact CD1-CG2 3.42Å; I29-V31 VanDerWaalsContact CD1-CG2 3.42Å; I29-V31 HydrophobicContact CG1-CG2 3.68Å; I29-L50 WeakPolarHBondContact O-CA 3.18Å; I29-V51 HydrophobicContact CG1-CB 3.98Å; I29-V51 PolarHBondContact N-O 3.43Å; I29-V51 PolarHBondContact O-N 3.03Å; I29-M91 HydrophobicContact CD1-CB 3.66Å; I29-M91 HydrophobicContact CD1-CE 3.93Å; I29-M91 WeakPolarHBondContact CD1-O 3.35Å; I29-M91 HydrophobicContact CG1-CB 4.31Å; I29-Y95 HydrophobicContact CB-CD2 3.84Å; I29-Y95 HydrophobicContact CB-CG 4.17Å; I29-Y95 HydrophobicContact CD1-CD2 4.43Å; I29-Y95 HydrophobicContact CG2-CD2 4.15Å; I29-Y95 HydrophobicContact CG2-CG 3.96Å; I29-L105 HydrophobicContact CD1-CD2 3.94Å
30P98.7Very high96.5Very high3 Ų366.7 Ų66.72%0.01931%0.305CS..EExtended strand (participates in β ladder)trans-82.1127.8170.334.8-35.8000109.6I21 R22 Y49 L50 Y95 Q103 F104 L105I21-P30 HydrophobicContact CG2-CB 3.77Å; I21-P30 HydrophobicContact CG2-CG 3.89Å; R22-P30 HydrophobicContact CG-CG 4.31Å; P30-Y49 WeakPolarHBondContact CA-O 3.46Å; P30-L50 HydrophobicContact CB-CD1 4.47Å; P30-Y95 HydrophobicContact CG-CE2 4.27Å; P30-Q103 WeakPolarHBondContact CG-O 3.41Å; P30-F104 HydrophobicContact CB-CD1 3.65Å; P30-F104 HydrophobicContact CB-CE1 3.61Å; P30-F104 HydrophobicContact CB-CG 4.41Å; P30-F104 HydrophobicContact CB-CZ 4.32Å; P30-F104 HydrophobicContact CG-CD1 4.2Å; P30-F104 HydrophobicContact CG-CE1 4.42Å; P30-L105 PolarHBondContact O-N 3.37Å
31V98.8Very high96.2Very high0 Ų060 Ų600%028%0.277CS..EExtended strand (participates in β ladder)trans-127.4132.2-175.3-170.80000109.3I29 V33 K48 Y49 V51 F60 M91 L105 I107I29-V31 HydrophobicContact CD1-CG2 3.42Å; I29-V31 VanDerWaalsContact CD1-CG2 3.42Å; I29-V31 HydrophobicContact CG1-CG2 3.68Å; V31-V33 HydrophobicContact CG1-CG2 3.89Å; V31-K48 WeakPolarHBondContact O-CA 3.48Å; V31-Y49 PolarHBondContact N-O 2.85Å; V31-Y49 PolarHBondContact O-N 3.4Å; V31-V51 HydrophobicContact CB-CG2 4.39Å; V31-V51 HydrophobicContact CG2-CB 4.35Å; V31-V51 HydrophobicContact CG2-CG2 3.8Å; V31-F60 HydrophobicContact CG1-CE1 4.36Å; V31-F60 HydrophobicContact CG1-CZ 4.43Å; V31-M91 HydrophobicContact CG2-CE 4.07Å; V31-L105 CarbonylContact C-O 3.56Å; V31-L105 WeakPolarHBondContact CA-O 3.35Å; V31-L105 HydrophobicContact CG2-CB 4.47Å; V31-L105 HydrophobicContact CG2-CD2 4.42Å; V31-I107 HydrophobicContact CG1-CD1 3.7Å; V31-I107 HydrophobicContact CG1-CG1 3.82Å
32I98.6Very high96Very high0 Ų064.6 Ų64.60%030%0.298CS..EExtended strand (participates in β ladder)trans-101.4123.7167.8-57.7-57.2000108.1Y5 E34 K47 K48 F104 L105 Y106 I107Y5-I32 HydrophobicContact CD1-CD1 3.75Å; Y5-I32 HydrophobicContact CD1-CG1 3.67Å; Y5-I32 HydrophobicContact CD1-CG2 4.23Å; Y5-I32 HydrophobicContact CD2-CD1 4.05Å; Y5-I32 HydrophobicContact CE1-CD1 3.62Å; Y5-I32 HydrophobicContact CE1-CG1 3.8Å; Y5-I32 HydrophobicContact CE2-CD1 3.96Å; Y5-I32 HydrophobicContact CG-CD1 3.95Å; Y5-I32 HydrophobicContact CG-CG1 4.17Å; Y5-I32 HydrophobicContact CG-CG2 4.07Å; I32-E34 HydrophobicContact CG2-CG 4Å; I32-K47 CarbonylContact C-O 3.51Å; I32-K47 WeakPolarHBondContact CA-O 3.47Å; I32-K48 HydrophobicContact CD1-CB 3.88Å; I32-K48 HydrophobicContact CD1-CD 4.18Å; I32-K48 HydrophobicContact CD1-CG 3.85Å; I32-F104 HydrophobicContact CD1-CD1 3.72Å; I32-F104 HydrophobicContact CD1-CE1 3.87Å; I32-F104 HydrophobicContact CG1-CB 4.21Å; I32-F104 HydrophobicContact CG1-CD1 3.63Å; I32-F104 HydrophobicContact CG1-CE1 4.3Å; I32-F104 HydrophobicContact CG1-CG 4.12Å; I32-L105 PolarHBondContact N-O 2.93Å; I32-Y106 HydrophobicContact CB-CD1 3.72Å; I32-Y106 HydrophobicContact CB-CE1 3.77Å; I32-Y106 HydrophobicContact CB-CG 4.47Å; I32-Y106 HydrophobicContact CG1-CD1 4.23Å; I32-Y106 HydrophobicContact CG1-CE1 3.78Å; I32-Y106 HydrophobicContact CG2-CD1 3.93Å; I32-Y106 HydrophobicContact CG2-CE1 3.92Å; I32-I107 PolarHBondContact O-N 3.23Å
33V98.1Very high95.7Very high0 Ų066.6 Ų66.60%031%0.313CS..EExtended strand (participates in β ladder)trans-117.2116.8178-172.90000108.6V31 L44 K47 Y49 F60 I107 Y109V31-V33 HydrophobicContact CG1-CG2 3.89Å; V33-L44 HydrophobicContact CB-CD1 4.07Å; V33-L44 HydrophobicContact CG1-CD1 3.57Å; V33-K47 PolarHBondContact N-O 3.1Å; V33-K47 WeakPolarHBondContact O-CA 3.48Å; V33-K47 WeakPolarHBondContact O-CB 3.43Å; V33-Y49 HydrophobicContact CB-CD2 4.16Å; V33-Y49 HydrophobicContact CB-CE2 3.93Å; V33-Y49 HydrophobicContact CG2-CD2 3.68Å; V33-Y49 HydrophobicContact CG2-CE2 3.9Å; V33-F60 HydrophobicContact CG2-CE1 3.86Å; V33-F60 HydrophobicContact CG2-CZ 3.8Å; V33-I107 VanDerWaalsContact CA-O 3.25Å; V33-I107 WeakPolarHBondContact CA-O 3.31Å; V33-I107 HydrophobicContact CG2-CB 4.44Å; V33-Y109 HydrophobicContact CG1-CD1 3.81Å; V33-Y109 HydrophobicContact CG1-CE1 4.42Å
34E96.8Very high95.5Very high7 Ų758.5 Ų58.53%0.03328%0.279CS..EExtended strand (participates in β ladder)trans-128.4150.9178.3-63.7-161.3145.400112.2M1 W3 Q4 Y5 I32 K47 I107 A108 Y109M1-E34 HydrophobicContact CE-CB 4.08Å; W3-E34 WeakPolarHBondContact CA-OE2 3.41Å; W3-E34 HydrophobicContact CE3-CB 4Å; W3-E34 HydrophobicContact CE3-CG 4.01Å; W3-E34 HydrophobicContact CZ3-CB 3.95Å; W3-E34 HydrophobicContact CZ3-CG 4.27Å; Q4-E34 PolarHBondContact N-OE2 2.94Å; Y5-E34 PolarHBondContact N-OE1 3.04Å; I32-E34 HydrophobicContact CG2-CG 4Å; E34-K47 HydrophobicContact CG-CD 3.98Å; E34-K47 HydrophobicContact CG-CG 4.36Å; E34-K47 WeakPolarHBondContact OE1-CD 3.5Å; E34-K47 IonicContact OE1-NZ 3.81Å; E34-K47 PolarHBondContact OE1-NZ 3.26Å; E34-I107 PolarHBondContact N-O 2.82Å; E34-A108 CarbonylContact O-C 3.51Å; E34-A108 VanDerWaalsContact O-CA 3.26Å; E34-A108 WeakPolarHBondContact O-CA 3.29Å; E34-Y109 VanDerWaalsContact C-CD1 3.45Å; E34-Y109 VanDerWaalsContact C-CE1 3.5Å; E34-Y109 WeakPolarHBondContact O-CD1 3.11Å; E34-Y109 PolarHBondContact O-N 3.07Å
35K95.1Very high95.3Very high53 Ų5357.4 Ų57.423%0.2328%0.279CS..EExtended strand (participates in β ladder)trans-71.8134.8177.5-167.5167.975.3-171.10110.4M1 C39 L41 D43 Y109M1-K35 WeakPolarHBondContact CE-O 3.3Å; K35-C39 HydrophobicContact CD-CB 4.19Å; K35-C39 HydrophobicContact CG-CB 3.67Å; K35-L41 WeakPolarHBondContact CD-O 3.29Å; K35-L41 PolarHBondContact NZ-O 2.74Å; K35-D43 WeakPolarHBondContact CE-OD1 3.49Å; K35-D43 IonicContact NZ-OD1 3.48Å; K35-D43 PolarHBondContact NZ-OD1 2.9Å; K35-D43 IonicContact NZ-OD2 3.5Å; K35-D43 PolarHBondContact NZ-OD2 3.23Å; K35-Y109 HydrophobicContact CB-CD1 4.43Å; K35-Y109 HydrophobicContact CB-CE1 3.69Å; K35-Y109 HydrophobicContact CB-CE2 4.08Å; K35-Y109 VanDerWaalsContact CB-CZ 3.49Å; K35-Y109 HydrophobicContact CD-CE2 4.13Å; K35-Y109 HydrophobicContact CG-CD2 4.46Å; K35-Y109 HydrophobicContact CG-CE1 4.31Å; K35-Y109 HydrophobicContact CG-CE2 3.78Å; K35-Y109 VanDerWaalsContact N-CE1 3.27Å
36A94.1Very high95.1Very high1 Ų159.3 Ų59.31%0.00829%0.289CS..  trans-59.5143.4170.700000110.6K38 C39 Y109 L118A36-K38 PolarHBondContact O-N 3.44Å; A36-C39 HydrophobicContact CB-CB 3.93Å; A36-C39 WeakPolarHBondContact O-CB 3.35Å; A36-C39 PolarHBondContact O-N 3.13Å; A36-Y109 VanDerWaalsContact CB-O 3.29Å; A36-Y109 WeakPolarHBondContact CB-O 3.39Å; A36-Y109 PolarHBondContact N-O 3.24Å; A36-L118 HydrophobicContact CB-CD2 3.26Å; A36-L118 HydrophobicContact CB-CG 3.99Å
37P90.3Very high95Very high90 Ų9057.7 Ų57.758%0.58427%0.272SS*.THydrogen-bonded Turntrans-56-31.8-173.9-28.236.2000115.3L118P37-L118 WeakPolarHBondContact CD-OXT 3.36Å
38K88.9Confident95Very high119 Ų11958.1 Ų58.152%0.51727%0.27SS..THydrogen-bonded Turntrans-103.66.5-179.2-56.4-177.1-172.2166.70113.6A36 W117A36-K38 PolarHBondContact O-N 3.44Å; K38-W117 HydrophobicContact CB-CB 4.22Å; K38-W117 HydrophobicContact CB-CE3 3.98Å; K38-W117 HydrophobicContact CD-CB 4.29Å; K38-W117 HydrophobicContact CD-CD2 4.12Å; K38-W117 HydrophobicContact CD-CE3 3.2Å; K38-W117 HydrophobicContact CD-CZ3 3.79Å; K38-W117 HydrophobicContact CG-CE3 4.24Å
39C92.3Very high95Very high10 Ų1055.4 Ų55.47%0.06826%0.26CS..  trans-71.7135.3178172.40000110.9K35 A36 L41 D111K35-C39 HydrophobicContact CD-CB 4.19Å; K35-C39 HydrophobicContact CG-CB 3.67Å; A36-C39 HydrophobicContact CB-CB 3.93Å; A36-C39 WeakPolarHBondContact O-CB 3.35Å; A36-C39 PolarHBondContact O-N 3.13Å; C39-L41 VanDerWaalsContact SG-CB 3.55Å; C39-L41 VanDerWaalsContact SG-CG 3.51Å; C39-L41 PolarHBondContact SG-N 3.18Å; C39-L41 VanDerWaalsContact SG-N 3.37Å; C39-D111 VanDerWaalsContact CA-OD1 3.23Å; C39-D111 WeakPolarHBondContact CA-OD1 3.42Å; C39-D111 PolarHBondContact SG-OD1 3.15Å
40R92.7Very high95Very high183 Ų18358 Ų5869%0.69127%0.274SS*.  trans-91.3-5.2-177.6-65173.2-67.2-150.4-10.4113.7D111 E112R40-D111 IonicContact CZ-OD2 3.58Å; R40-D111 VanDerWaalsContact CZ-OD2 3.27Å; R40-D111 PolarHBondContact N-OD1 2.96Å; R40-D111 IonicContact NE-OD2 2.81Å; R40-D111 PolarHBondContact NE-OD2 3.18Å; R40-D111 IonicContact NH2-OD2 2.85Å; R40-D111 PolarHBondContact NH2-OD2 3.41Å; R40-E112 IonicContact CZ-OE1 2.91Å; R40-E112 IonicContact NH2-OE1 3.51Å; R40-E112 PolarHBondContact NH2-OE1 3.3Å
41L93.1Very high95Very high17 Ų1758.2 Ų58.29%0.08928%0.275CS..SBendtrans-69.6161.6179.2-55.5-179.2000111.5K35 C39 I68 L70 L76 Y109 D111K35-L41 WeakPolarHBondContact CD-O 3.29Å; K35-L41 PolarHBondContact NZ-O 2.74Å; C39-L41 VanDerWaalsContact SG-CB 3.55Å; C39-L41 VanDerWaalsContact SG-CG 3.51Å; C39-L41 PolarHBondContact SG-N 3.18Å; C39-L41 VanDerWaalsContact SG-N 3.37Å; L41-I68 HydrophobicContact CB-CG2 4.32Å; L41-L70 HydrophobicContact CD1-CD1 4.01Å; L41-L70 HydrophobicContact CD1-CD2 4.2Å; L41-L70 HydrophobicContact CD2-CD2 3.63Å; L41-L70 HydrophobicContact CG-CD2 4.34Å; L41-L76 HydrophobicContact CD1-CD1 3.76Å; L41-Y109 HydrophobicContact CB-CE2 4.23Å; L41-Y109 HydrophobicContact CD1-CD2 4.28Å; L41-Y109 HydrophobicContact CD1-CE2 4.43Å; L41-D111 HydrophobicContact CD1-CB 4.13Å; L41-D111 HydrophobicContact CD2-CB 3.9Å; L41-D111 HydrophobicContact CG-CB 3.83Å
42E93.1Very high94.9Very high135 Ų13560.1 Ų60.163%0.63129%0.288SS*.PPolyproline II helixtrans-62.9153.9172.6-61.9-164.4154.800111.6I68 Y109E42-I68 HydrophobicContact CB-CG2 4.25Å; E42-Y109 PolarHBondContact O-OH 3.16Å
43D91.3Very high94.9Very high107 Ų10762.2 Ų62.257%0.57230%0.302SS*.PPolyproline II helixtrans-75.6141.6174.4-69.4-67.6000110.9K35 Y109K35-D43 WeakPolarHBondContact CE-OD1 3.49Å; K35-D43 IonicContact NZ-OD1 3.48Å; K35-D43 PolarHBondContact NZ-OD1 2.9Å; K35-D43 IonicContact NZ-OD2 3.5Å; K35-D43 PolarHBondContact NZ-OD2 3.23Å; D43-Y109 WeakPolarHBondContact CA-OH 3.4Å
44L94.9Very high95Very high17 Ų1767.9 Ų67.99%0.08933%0.332CS..PPolyproline II helixtrans-66.8137.6169.6-73.7167.9000110.8V33 K46 Y49 I64 R67 I68 Y109V33-L44 HydrophobicContact CB-CD1 4.07Å; V33-L44 HydrophobicContact CG1-CD1 3.57Å; L44-K46 WeakPolarHBondContact CB-O 3.43Å; L44-K46 PolarHBondContact O-N 3.16Å; L44-Y49 HydrophobicContact CD1-CE2 4.44Å; L44-I64 HydrophobicContact CD1-CD1 4.35Å; L44-I64 HydrophobicContact CD1-CG2 4.2Å; L44-I64 HydrophobicContact CD2-CG2 4.26Å; L44-R67 HydrophobicContact CD2-CB 3.72Å; L44-I68 HydrophobicContact CD2-CD1 4.14Å; L44-I68 HydrophobicContact CD2-CG1 3.47Å; L44-I68 VanDerWaalsContact CD2-CG1 3.47Å; L44-I68 HydrophobicContact CG-CD1 4.31Å; L44-I68 HydrophobicContact CG-CG1 4Å; L44-Y109 HydrophobicContact CD1-CD1 4.17Å; L44-Y109 HydrophobicContact CD1-CE1 3.68Å; L44-Y109 HydrophobicContact CG-CE1 4.01Å; L44-Y109 PolarHBondContact N-OH 2.91Å
45D92.7Very high95Very high111 Ų11168.9 Ų68.959%0.59434%0.338SS*.SBendtrans-58.8-29.3171.668.7-47.4000112.8R67D45-R67 IonicContact OD1-CZ 3.67Å; D45-R67 IonicContact OD1-NH1 2.68Å; D45-R67 PolarHBondContact OD1-NH1 3.34Å; D45-R67 IonicContact OD2-CZ 3.77Å; D45-R67 IonicContact OD2-NH1 2.8Å; D45-R67 PolarHBondContact OD2-NH1 3.34Å
46K95.1Very high95.2Very high121 Ų12168.2 Ų68.253%0.52634%0.338SS..  trans-136.7139.3176.7-63.2-178.8-174.3-178.40110.5L44 Y49L44-K46 WeakPolarHBondContact CB-O 3.43Å; L44-K46 PolarHBondContact O-N 3.16Å; K46-Y49 WeakPolarHBondContact O-CE2 3.36Å; K46-Y49 VanDerWaalsContact O-CZ 3.24Å; K46-Y49 PolarHBondContact O-OH 3.25Å
47K95.5Very high95.4Very high61 Ų6168.1 Ų68.127%0.26534%0.338SS..  trans-99.1-24.7176.7-63.4173.9165.1-166.50113.6I32 V33 E34 Y49I32-K47 CarbonylContact C-O 3.51Å; I32-K47 WeakPolarHBondContact CA-O 3.47Å; V33-K47 PolarHBondContact N-O 3.1Å; V33-K47 WeakPolarHBondContact O-CA 3.48Å; V33-K47 WeakPolarHBondContact O-CB 3.43Å; E34-K47 HydrophobicContact CG-CD 3.98Å; E34-K47 HydrophobicContact CG-CG 4.36Å; E34-K47 WeakPolarHBondContact OE1-CD 3.5Å; E34-K47 IonicContact OE1-NZ 3.81Å; E34-K47 PolarHBondContact OE1-NZ 3.26Å; K47-Y49 WeakPolarHBondContact O-CD2 3.36Å
48K97.7Very high95.8Very high96 Ų9665.1 Ų65.142%0.41732%0.323SS..EExtended strand (participates in β ladder)trans-103.1125.1-175.1-175.2168.659.8-174.30111.2E17 V31 I32 F104E17-K48 VanDerWaalsContact CD-NZ 3.33Å; E17-K48 WeakPolarHBondContact OE1-CE 3.3Å; E17-K48 IonicContact OE1-NZ 2.63Å; E17-K48 PolarHBondContact OE1-NZ 3.48Å; E17-K48 IonicContact OE2-NZ 3.24Å; E17-K48 PolarHBondContact OE2-NZ 3.31Å; V31-K48 WeakPolarHBondContact O-CA 3.48Å; I32-K48 HydrophobicContact CD1-CB 3.88Å; I32-K48 HydrophobicContact CD1-CD 4.18Å; I32-K48 HydrophobicContact CD1-CG 3.85Å; K48-F104 HydrophobicContact CD-CE1 3.9Å; K48-F104 HydrophobicContact CD-CZ 4.3Å; K48-F104 HydrophobicContact CG-CE1 4.22Å
49Y98.4Very high96.3Very high31 Ų3164.2 Ų64.212%0.12232%0.32CS..EExtended strand (participates in β ladder)trans-125.3150.8-176.7-63.9-94.7000110.9P30 V31 V33 L44 K46 K47 F60 I64 R67P30-Y49 WeakPolarHBondContact CA-O 3.46Å; V31-Y49 PolarHBondContact N-O 2.85Å; V31-Y49 PolarHBondContact O-N 3.4Å; V33-Y49 HydrophobicContact CB-CD2 4.16Å; V33-Y49 HydrophobicContact CB-CE2 3.93Å; V33-Y49 HydrophobicContact CG2-CD2 3.68Å; V33-Y49 HydrophobicContact CG2-CE2 3.9Å; L44-Y49 HydrophobicContact CD1-CE2 4.44Å; K46-Y49 WeakPolarHBondContact O-CE2 3.36Å; K46-Y49 VanDerWaalsContact O-CZ 3.24Å; K46-Y49 PolarHBondContact O-OH 3.25Å; K47-Y49 WeakPolarHBondContact O-CD2 3.36Å; Y49-F60 HydrophobicContact CG-CZ 4.33Å; Y49-I64 HydrophobicContact CE1-CD1 3.96Å; Y49-I64 HydrophobicContact CE2-CD1 4.13Å; Y49-R67 WeakPolarHBondContact OH-CD 3.46Å
50L98.4Very high96.5Very high56 Ų5663.9 Ų63.929%0.29332%0.318SS..EExtended strand (participates in β ladder)trans-122.2102.8170.7-172.968000108.3I21 Y25 R28 I29 P30I21-L50 HydrophobicContact CD1-CD2 4.2Å; I21-L50 HydrophobicContact CG1-CD1 3.8Å; I21-L50 HydrophobicContact CG1-CD2 4.1Å; Y25-L50 HydrophobicContact CD2-CD2 3.54Å; Y25-L50 HydrophobicContact CE2-CD2 4.05Å; Y25-L50 HydrophobicContact CG-CD2 3.92Å; R28-L50 HydrophobicContact CB-CD1 3.68Å; R28-L50 HydrophobicContact CB-CD2 4.3Å; R28-L50 HydrophobicContact CB-CG 3.7Å; R28-L50 HydrophobicContact CG-CG 4.36Å; I29-L50 WeakPolarHBondContact O-CA 3.18Å; P30-L50 HydrophobicContact CB-CD1 4.47Å
51V98.3Very high96.7Very high7 Ų756.7 Ų56.74%0.04229%0.291CS..EExtended strand (participates in β ladder)trans-109.3138.9-163.5-1700000110R28 I29 V31 L55 F60 M91R28-V51 CarbonylContact C-O 3.47Å; R28-V51 WeakPolarHBondContact CA-O 3.42Å; R28-V51 WeakPolarHBondContact CB-O 3.39Å; I29-V51 HydrophobicContact CG1-CB 3.98Å; I29-V51 PolarHBondContact N-O 3.43Å; I29-V51 PolarHBondContact O-N 3.03Å; V31-V51 HydrophobicContact CB-CG2 4.39Å; V31-V51 HydrophobicContact CG2-CB 4.35Å; V31-V51 HydrophobicContact CG2-CG2 3.8Å; V51-L55 HydrophobicContact CG1-CB 4.11Å; V51-L55 HydrophobicContact CG1-CD2 3.37Å; V51-L55 HydrophobicContact CG1-CG 4.36Å; V51-F60 HydrophobicContact CG1-CD2 4.03Å; V51-F60 HydrophobicContact CG1-CE2 4.33Å; V51-F60 HydrophobicContact CG2-CD2 4.09Å; V51-F60 HydrophobicContact CG2-CE2 3.55Å; V51-F60 HydrophobicContact CG2-CZ 4.1Å; V51-M91 HydrophobicContact CG1-CB 4.4Å; V51-M91 HydrophobicContact CG1-CG 4.07Å
52P98.6Very high96.9Very high41 Ų4162.4 Ų62.427%0.26632%0.315SS..EExtended strand (participates in β ladder)trans-55.7139.1171.1-23.234.4000111.6D54 L55P52-D54 VanDerWaalsContact C-N 3.26Å; P52-D54 WeakPolarHBondContact CB-OD1 3.47Å; P52-D54 PolarHBondContact O-N 3.38Å; P52-L55 HydrophobicContact CB-CB 4.39Å; P52-L55 WeakPolarHBondContact O-CB 3.45Å; P52-L55 PolarHBondContact O-N 2.84Å
53S98.6Very high97Very high44 Ų4460.1 Ų60.131%0.30831%0.307SS..THydrogen-bonded Turntrans-68.7-24.1-177.760.30000113.6D27 T90 G92D27-S53 WeakPolarHBondContact O-CB 3.45Å; D27-S53 PolarHBondContact O-N 2.99Å; D27-S53 PolarHBondContact O-OG 3.01Å; S53-T90 WeakPolarHBondContact O-CB 3.5Å; S53-G92 VanDerWaalsContact O-CA 3.3Å; S53-G92 WeakPolarHBondContact O-CA 3.45Å; S53-G92 PolarHBondContact O-N 2.79Å
54D98.3Very high97.3Very high119 Ų11955 Ų5564%0.63628%0.28SS*.THydrogen-bonded Turntrans-86.7-13.2179.264.9-27.8000113.8P52 T56P52-D54 VanDerWaalsContact C-N 3.26Å; P52-D54 WeakPolarHBondContact CB-OD1 3.47Å; P52-D54 PolarHBondContact O-N 3.38Å; D54-T56 PolarHBondContact O-N 3.31Å
55L98.5Very high97.3Very high28 Ų2857.1 Ų57.115%0.14729%0.287CS..SBendtrans-59134.5174.8-16679.1000109.6V51 P52 Q59 F60 L63 T90 M91V51-L55 HydrophobicContact CG1-CB 4.11Å; V51-L55 HydrophobicContact CG1-CD2 3.37Å; V51-L55 HydrophobicContact CG1-CG 4.36Å; P52-L55 HydrophobicContact CB-CB 4.39Å; P52-L55 WeakPolarHBondContact O-CB 3.45Å; P52-L55 PolarHBondContact O-N 2.84Å; L55-Q59 HydrophobicContact CD1-CB 3.66Å; L55-Q59 HydrophobicContact CD1-CG 4.42Å; L55-Q59 HydrophobicContact CD2-CB 4.49Å; L55-Q59 HydrophobicContact CG-CB 3.82Å; L55-F60 HydrophobicContact CD2-CB 3.89Å; L55-F60 HydrophobicContact CD2-CD2 4Å; L55-F60 HydrophobicContact CD2-CG 4.4Å; L55-L63 HydrophobicContact CD2-CD1 3.97Å; L55-T90 CarbonylContact O-C 3.55Å; L55-T90 WeakPolarHBondContact O-CA 3.2Å; L55-M91 HydrophobicContact CB-CG 4.22Å; L55-M91 HydrophobicContact CD2-CG 4.45Å; L55-M91 WeakPolarHBondContact O-CB 3.16Å; L55-M91 VanDerWaalsContact O-CG 3.29Å; L55-M91 WeakPolarHBondContact O-CG 3.38Å; L55-M91 PolarHBondContact O-N 3.3Å
56T98.7Very high97.4Very high38 Ų3859 Ų5923%0.23329%0.29CS..BIsolated β-bridgetrans-78155.2173.770.10000111.6D54 G58 Q59 F60 T89D54-T56 PolarHBondContact O-N 3.31Å; T56-G58 PolarHBondContact O-N 3.44Å; T56-Q59 WeakPolarHBondContact O-CB 3.34Å; T56-Q59 PolarHBondContact O-N 3.15Å; T56-Q59 VanDerWaalsContact O-N 3.1Å; T56-Q59 VanDerWaalsContact OG1-CG 3.3Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.48Å; T56-Q59 PolarHBondContact OG1-N 3.07Å; T56-Q59 VanDerWaalsContact OG1-N 3.13Å; T56-Q59 PolarHBondContact OG1-OE1 3.07Å; T56-F60 PolarHBondContact O-N 2.87Å; T56-T89 CarbonylContact C-O 3.5Å; T56-T89 WeakPolarHBondContact CA-O 3.25Å
57V98.6Very high97.5Very high0 Ų057.8 Ų57.80%028%0.282CS..Hα-helixtrans-56-40.2172.3172.40000110.5Q59 F60 Y61 F78 P85 T89 M91 L94V57-Q59 PolarHBondContact O-N 3.39Å; V57-F60 WeakPolarHBondContact O-CB 3.36Å; V57-F60 PolarHBondContact O-N 3.02Å; V57-F60 VanDerWaalsContact O-N 3.16Å; V57-Y61 HydrophobicContact CG1-CD2 3.86Å; V57-Y61 HydrophobicContact CG1-CE2 3.83Å; V57-Y61 WeakPolarHBondContact O-CD2 3.4Å; V57-Y61 PolarHBondContact O-N 2.83Å; V57-F78 HydrophobicContact CG1-CD2 4.38Å; V57-P85 HydrophobicContact CG1-CB 4.25Å; V57-P85 HydrophobicContact CG1-CG 3.85Å; V57-P85 HydrophobicContact CG2-CB 4.42Å; V57-T89 WeakPolarHBondContact CG2-O 3.39Å; V57-T89 PolarHBondContact N-O 2.88Å; V57-M91 HydrophobicContact CB-SD 4.48Å; V57-M91 HydrophobicContact CG2-SD 3.87Å; V57-L94 HydrophobicContact CG2-CD2 3.72Å
58G98.2Very high97.4Very high27 Ų2755.1 Ų55.128%0.27827%0.27SS..Hα-helixtrans-62-39.7175.500000113.6T56 Y61 F62 T87T56-G58 PolarHBondContact O-N 3.44Å; G58-Y61 WeakPolarHBondContact O-CB 3.41Å; G58-Y61 PolarHBondContact O-N 3.31Å; G58-F62 PolarHBondContact O-N 2.99Å; G58-T87 PolarHBondContact N-O 3.24Å
59Q98.4Very high97.3Very high99 Ų9958 Ų5846%0.46329%0.285SS..Hα-helixtrans-67.3-38.3172.5-71.9167.7-29.300111.4L55 T56 V57 F62 L63L55-Q59 HydrophobicContact CD1-CB 3.66Å; L55-Q59 HydrophobicContact CD1-CG 4.42Å; L55-Q59 HydrophobicContact CD2-CB 4.49Å; L55-Q59 HydrophobicContact CG-CB 3.82Å; T56-Q59 WeakPolarHBondContact O-CB 3.34Å; T56-Q59 PolarHBondContact O-N 3.15Å; T56-Q59 VanDerWaalsContact O-N 3.1Å; T56-Q59 VanDerWaalsContact OG1-CG 3.3Å; T56-Q59 WeakPolarHBondContact OG1-CG 3.48Å; T56-Q59 PolarHBondContact OG1-N 3.07Å; T56-Q59 VanDerWaalsContact OG1-N 3.13Å; T56-Q59 PolarHBondContact OG1-OE1 3.07Å; V57-Q59 PolarHBondContact O-N 3.39Å; Q59-F62 WeakPolarHBondContact O-CB 3.4Å; Q59-F62 PolarHBondContact O-N 3.13Å; Q59-L63 WeakPolarHBondContact O-CG 3.46Å; Q59-L63 PolarHBondContact O-N 3.35Å; Q59-L63 VanDerWaalsContact O-N 3.16Å
60F98.2Very high97.1Very high3 Ų357.7 Ų57.71%0.01329%0.285CS..Hα-helixtrans-65.3-40.6175.9-167.8-121.1000112.2V31 V33 Y49 V51 L55 T56 V57 F62 L63 I64 F78 M91 I107V31-F60 HydrophobicContact CG1-CE1 4.36Å; V31-F60 HydrophobicContact CG1-CZ 4.43Å; V33-F60 HydrophobicContact CG2-CE1 3.86Å; V33-F60 HydrophobicContact CG2-CZ 3.8Å; Y49-F60 HydrophobicContact CG-CZ 4.33Å; V51-F60 HydrophobicContact CG1-CD2 4.03Å; V51-F60 HydrophobicContact CG1-CE2 4.33Å; V51-F60 HydrophobicContact CG2-CD2 4.09Å; V51-F60 HydrophobicContact CG2-CE2 3.55Å; V51-F60 HydrophobicContact CG2-CZ 4.1Å; L55-F60 HydrophobicContact CD2-CB 3.89Å; L55-F60 HydrophobicContact CD2-CD2 4Å; L55-F60 HydrophobicContact CD2-CG 4.4Å; T56-F60 PolarHBondContact O-N 2.87Å; V57-F60 WeakPolarHBondContact O-CB 3.36Å; V57-F60 PolarHBondContact O-N 3.02Å; V57-F60 VanDerWaalsContact O-N 3.16Å; F60-F62 VanDerWaalsContact C-N 3.28Å; F60-F62 PolarHBondContact O-N 3.4Å; F60-L63 HydrophobicContact CD2-CD1 4.49Å; F60-L63 PolarHBondContact O-N 3.19Å; F60-L63 VanDerWaalsContact O-N 3.13Å; F60-I64 HydrophobicContact CD1-CG1 4.32Å; F60-I64 HydrophobicContact CE1-CD1 4.34Å; F60-I64 HydrophobicContact CE1-CG1 3.95Å; F60-I64 HydrophobicContact CE2-CD1 4.15Å; F60-I64 HydrophobicContact CE2-CG1 4.21Å; F60-I64 HydrophobicContact CZ-CD1 3.83Å; F60-I64 HydrophobicContact CZ-CG1 3.89Å; F60-I64 WeakPolarHBondContact O-CG1 3.46Å; F60-I64 PolarHBondContact O-N 3.44Å; F60-F78 HydrophobicContact CD1-CD2 4.49Å; F60-F78 AromaticContact CD1-CE2 3.59Å; F60-F78 HydrophobicContact CD1-CE2 3.59Å; F60-F78 HydrophobicContact CD1-CZ 4.04Å; F60-F78 HydrophobicContact CE1-CE2 4.22Å; F60-F78 HydrophobicContact CE1-CZ 4.31Å; F60-F78 HydrophobicContact CG-CE2 4.43Å; F60-M91 HydrophobicContact CB-CG 4.26Å; F60-M91 HydrophobicContact CB-SD 3.78Å; F60-M91 HydrophobicContact CD1-CE 3.7Å; F60-M91 HydrophobicContact CD1-SD 3.94Å; F60-M91 HydrophobicContact CE1-CE 4.05Å; F60-M91 HydrophobicContact CG-CE 4.05Å; F60-M91 HydrophobicContact CG-SD 3.97Å; F60-I107 HydrophobicContact CD1-CD1 4.31Å; F60-I107 HydrophobicContact CE1-CD1 4.04Å
61Y96.6Very high96.8Very high32 Ų3261.7 Ų61.713%0.12530%0.296CS..Hα-helixtrans-51.8-48169.8-97.3-73.9000111.7V57 G58 L63 I64 R65 L76 F77 F78 T87V57-Y61 HydrophobicContact CG1-CD2 3.86Å; V57-Y61 HydrophobicContact CG1-CE2 3.83Å; V57-Y61 WeakPolarHBondContact O-CD2 3.4Å; V57-Y61 PolarHBondContact O-N 2.83Å; G58-Y61 WeakPolarHBondContact O-CB 3.41Å; G58-Y61 PolarHBondContact O-N 3.31Å; Y61-L63 VanDerWaalsContact C-N 3.31Å; Y61-L63 PolarHBondContact O-N 3.41Å; Y61-I64 PolarHBondContact O-N 3.48Å; Y61-R65 VanDerWaalsContact O-CB 3.24Å; Y61-R65 WeakPolarHBondContact O-CB 3.43Å; Y61-R65 PolarHBondContact O-N 2.98Å; Y61-L76 HydrophobicContact CD1-CD2 4.01Å; Y61-L76 HydrophobicContact CD1-CG 4.1Å; Y61-L76 HydrophobicContact CE1-CG 4.14Å; Y61-L76 WeakPolarHBondContact CE1-O 3.41Å; Y61-F77 WeakPolarHBondContact OH-CA 3.21Å; Y61-F78 HydrophobicContact CD1-CD1 4.2Å; Y61-F78 AromaticContact CD1-CD2 3.92Å; Y61-F78 HydrophobicContact CD1-CD2 3.92Å; Y61-F78 HydrophobicContact CD1-CE1 4.08Å; Y61-F78 AromaticContact CD1-CE2 3.79Å; Y61-F78 HydrophobicContact CD1-CE2 3.79Å; Y61-F78 HydrophobicContact CD1-CG 4.12Å; Y61-F78 AromaticContact CD1-CZ 3.87Å; Y61-F78 HydrophobicContact CD1-CZ 3.87Å; Y61-F78 AromaticContact CD2-CD2 3.65Å; Y61-F78 HydrophobicContact CD2-CD2 3.65Å; Y61-F78 AromaticContact CD2-CE2 3.78Å; Y61-F78 HydrophobicContact CD2-CE2 3.78Å; Y61-F78 HydrophobicContact CD2-CG 4.4Å; Y61-F78 HydrophobicContact CE1-CB 4.09Å; Y61-F78 AromaticContact CE1-CD1 3.81Å; Y61-F78 HydrophobicContact CE1-CD1 3.81Å; Y61-F78 AromaticContact CE1-CD2 3.8Å; Y61-F78 HydrophobicContact CE1-CD2 3.8Å; Y61-F78 HydrophobicContact CE1-CE1 4.15Å; Y61-F78 HydrophobicContact CE1-CE2 4.13Å; Y61-F78 AromaticContact CE1-CG 3.61Å; Y61-F78 HydrophobicContact CE1-CG 3.61Å; Y61-F78 HydrophobicContact CE1-CZ 4.3Å; Y61-F78 HydrophobicContact CE2-CB 4.1Å; Y61-F78 AromaticContact CE2-CD2 3.53Å; Y61-F78 HydrophobicContact CE2-CD2 3.53Å; Y61-F78 HydrophobicContact CE2-CE2 4.15Å; Y61-F78 AromaticContact CE2-CG 3.95Å; Y61-F78 HydrophobicContact CE2-CG 3.95Å; Y61-F78 AromaticContact CG-CD2 3.87Å; Y61-F78 HydrophobicContact CG-CD2 3.87Å; Y61-F78 AromaticContact CG-CE2 3.62Å; Y61-F78 HydrophobicContact CG-CE2 3.62Å; Y61-F78 HydrophobicContact CG-CG 4.5Å; Y61-F78 HydrophobicContact CG-CZ 4.08Å; Y61-F78 AromaticContact CZ-CD2 3.64Å; Y61-F78 AromaticContact CZ-CG 3.56Å; Y61-F78 VanDerWaalsContact CZ-N 3.35Å; Y61-F78 PolarHBondContact OH-N 2.95Å; Y61-T87 HydrophobicContact CD2-CG2 4.44Å; Y61-T87 HydrophobicContact CE2-CG2 4.29Å
62F95.9Very high96.4Very high137 Ų13765.9 Ų65.960%0.60133%0.332SS*.Hα-helixtrans-60.3-41.4179.6-179.8-96.1000112.1G58 Q59 F60 K66G58-F62 PolarHBondContact O-N 2.99Å; Q59-F62 WeakPolarHBondContact O-CB 3.4Å; Q59-F62 PolarHBondContact O-N 3.13Å; F60-F62 VanDerWaalsContact C-N 3.28Å; F60-F62 PolarHBondContact O-N 3.4Å; F62-K66 WeakPolarHBondContact O-CB 3.5Å; F62-K66 PolarHBondContact O-N 2.82Å; F62-K66 VanDerWaalsContact O-N 3.07Å
63L96.8Very high96Very high87 Ų8770.1 Ų70.146%0.45535%0.348SS..Hα-helixtrans-65-44.5177.6-65.1176.8000112.3L55 Q59 F60 Y61 K66 R67L55-L63 HydrophobicContact CD2-CD1 3.97Å; Q59-L63 WeakPolarHBondContact O-CG 3.46Å; Q59-L63 PolarHBondContact O-N 3.35Å; Q59-L63 VanDerWaalsContact O-N 3.16Å; F60-L63 HydrophobicContact CD2-CD1 4.49Å; F60-L63 PolarHBondContact O-N 3.19Å; F60-L63 VanDerWaalsContact O-N 3.13Å; Y61-L63 VanDerWaalsContact C-N 3.31Å; Y61-L63 PolarHBondContact O-N 3.41Å; L63-K66 PolarHBondContact O-N 3.05Å; L63-R67 PolarHBondContact O-N 3.24Å; L63-R67 VanDerWaalsContact O-N 3.15Å
64I97Very high95.8Very high1 Ų170.6 Ų70.61%0.00535%0.345CS..Hα-helixtrans-69-42.2178.8-64-57.5000111L44 Y49 F60 Y61 K66 R67 I68 L76 F78L44-I64 HydrophobicContact CD1-CD1 4.35Å; L44-I64 HydrophobicContact CD1-CG2 4.2Å; L44-I64 HydrophobicContact CD2-CG2 4.26Å; Y49-I64 HydrophobicContact CE1-CD1 3.96Å; Y49-I64 HydrophobicContact CE2-CD1 4.13Å; F60-I64 HydrophobicContact CD1-CG1 4.32Å; F60-I64 HydrophobicContact CE1-CD1 4.34Å; F60-I64 HydrophobicContact CE1-CG1 3.95Å; F60-I64 HydrophobicContact CE2-CD1 4.15Å; F60-I64 HydrophobicContact CE2-CG1 4.21Å; F60-I64 HydrophobicContact CZ-CD1 3.83Å; F60-I64 HydrophobicContact CZ-CG1 3.89Å; F60-I64 WeakPolarHBondContact O-CG1 3.46Å; F60-I64 PolarHBondContact O-N 3.44Å; Y61-I64 PolarHBondContact O-N 3.48Å; I64-K66 VanDerWaalsContact C-N 3.26Å; I64-K66 PolarHBondContact O-N 2.52Å; I64-R67 WeakPolarHBondContact O-CB 3.41Å; I64-R67 PolarHBondContact O-N 2.62Å; I64-I68 HydrophobicContact CG2-CD1 3.7Å; I64-I68 HydrophobicContact CG2-CG1 4.31Å; I64-I68 WeakPolarHBondContact O-CG1 3.41Å; I64-I68 PolarHBondContact O-N 3.25Å; I64-L76 HydrophobicContact CB-CD2 4.49Å; I64-L76 HydrophobicContact CG2-CD2 4.08Å; I64-F78 HydrophobicContact CB-CE1 4.19Å; I64-F78 HydrophobicContact CB-CZ 3.76Å; I64-F78 HydrophobicContact CG1-CE1 4.33Å; I64-F78 HydrophobicContact CG1-CZ 3.68Å; I64-F78 HydrophobicContact CG2-CE1 3.96Å; I64-F78 HydrophobicContact CG2-CZ 4.06Å
65R95.5Very high95.6Very high61 Ų6166.9 Ų66.923%0.2333%0.331CS..Hα-helixtrans-54.5-44.3174.2-170.9-176.2-169.896.1-1.5111.7Y61 R67 I68 H69 L70 R71 A72 E74 L76Y61-R65 VanDerWaalsContact O-CB 3.24Å; Y61-R65 WeakPolarHBondContact O-CB 3.43Å; Y61-R65 PolarHBondContact O-N 2.98Å; R65-R67 VanDerWaalsContact C-N 3.33Å; R65-R67 PolarHBondContact O-N 3Å; R65-I68 PolarHBondContact O-N 2.73Å; R65-H69 PolarHBondContact O-N 2.91Å; R65-L70 HydrophobicContact CG-CB 3.8Å; R65-L70 HydrophobicContact CG-CD1 4.1Å; R65-L70 HydrophobicContact CG-CG 4.42Å; R65-L70 PolarHBondContact O-N 2.77Å; R65-R71 PolarHBondContact NH2-O 3.13Å; R65-A72 PolarHBondContact NH2-O 2.95Å; R65-E74 PolarHBondContact NH1-O 2.81Å; R65-E74 PolarHBondContact NH2-O 3.23Å; R65-L76 HydrophobicContact CB-CD2 4.14Å
66K94.8Very high95.5Very high151 Ų15166.2 Ų66.266%0.65733%0.328SS*.Hα-helixtrans-65.2-34.5177-173.3175.5179.51790112.5F62 L63 I64 H69F62-K66 WeakPolarHBondContact O-CB 3.5Å; F62-K66 PolarHBondContact O-N 2.82Å; F62-K66 VanDerWaalsContact O-N 3.07Å; L63-K66 PolarHBondContact O-N 3.05Å; I64-K66 VanDerWaalsContact C-N 3.26Å; I64-K66 PolarHBondContact O-N 2.52Å; K66-H69 PolarHBondContact O-N 2.9Å
67R95.7Very high95.3Very high94 Ų9467.2 Ų67.236%0.35533%0.329SS..Hα-helixtrans-71.8-36.5176.5-85-153.8175.6-143.3-3.5113.9L44 D45 Y49 L63 I64 R65 H69L44-R67 HydrophobicContact CD2-CB 3.72Å; D45-R67 IonicContact OD1-CZ 3.67Å; D45-R67 IonicContact OD1-NH1 2.68Å; D45-R67 PolarHBondContact OD1-NH1 3.34Å; D45-R67 IonicContact OD2-CZ 3.77Å; D45-R67 IonicContact OD2-NH1 2.8Å; D45-R67 PolarHBondContact OD2-NH1 3.34Å; Y49-R67 WeakPolarHBondContact OH-CD 3.46Å; L63-R67 PolarHBondContact O-N 3.24Å; L63-R67 VanDerWaalsContact O-N 3.15Å; I64-R67 WeakPolarHBondContact O-CB 3.41Å; I64-R67 PolarHBondContact O-N 2.62Å; R65-R67 VanDerWaalsContact C-N 3.33Å; R65-R67 PolarHBondContact O-N 3Å; R67-H69 PolarHBondContact O-CD2 3.13Å; R67-H69 PolarHBondContact O-N 3Å
68I95.1Very high95.3Very high6 Ų667.2 Ų67.23%0.03133%0.329CS..THydrogen-bonded Turntrans-78.1-6176.1-56169.8000110.7L41 E42 L44 I64 R65 L70 L76 Y109L41-I68 HydrophobicContact CB-CG2 4.32Å; E42-I68 HydrophobicContact CB-CG2 4.25Å; L44-I68 HydrophobicContact CD2-CD1 4.14Å; L44-I68 HydrophobicContact CD2-CG1 3.47Å; L44-I68 VanDerWaalsContact CD2-CG1 3.47Å; L44-I68 HydrophobicContact CG-CD1 4.31Å; L44-I68 HydrophobicContact CG-CG1 4Å; I64-I68 HydrophobicContact CG2-CD1 3.7Å; I64-I68 HydrophobicContact CG2-CG1 4.31Å; I64-I68 WeakPolarHBondContact O-CG1 3.41Å; I64-I68 PolarHBondContact O-N 3.25Å; R65-I68 PolarHBondContact O-N 2.73Å; I68-L70 HydrophobicContact CB-CD1 4.31Å; I68-L70 HydrophobicContact CB-CD2 4.37Å; I68-L70 HydrophobicContact CB-CG 3.89Å; I68-L70 HydrophobicContact CG2-CD1 4.22Å; I68-L70 HydrophobicContact CG2-CD2 3.61Å; I68-L70 HydrophobicContact CG2-CG 3.69Å; I68-L70 PolarHBondContact O-N 3.23Å; I68-L76 HydrophobicContact CD1-CD1 4.13Å; I68-Y109 HydrophobicContact CD1-CD2 3.86Å; I68-Y109 HydrophobicContact CD1-CE2 3.58Å; I68-Y109 HydrophobicContact CD1-CG 4.49Å
69H94Very high95.2Very high155 Ų15566.3 Ų66.372%0.71832%0.317SS*.THydrogen-bonded Turntrans57.933.5-176.9-59.7-74.2000114R65 K66 R67R65-H69 PolarHBondContact O-N 2.91Å; K66-H69 PolarHBondContact O-N 2.9Å; R67-H69 PolarHBondContact O-CD2 3.13Å; R67-H69 PolarHBondContact O-N 3Å
70L94.3Very high95.1Very high25 Ų2561.7 Ų61.713%0.13130%0.296CS..  trans-67.9136.5-178.7-63.9175.5000112.2L41 R65 I68 E74 L76L41-L70 HydrophobicContact CD1-CD1 4.01Å; L41-L70 HydrophobicContact CD1-CD2 4.2Å; L41-L70 HydrophobicContact CD2-CD2 3.63Å; L41-L70 HydrophobicContact CG-CD2 4.34Å; R65-L70 HydrophobicContact CG-CB 3.8Å; R65-L70 HydrophobicContact CG-CD1 4.1Å; R65-L70 HydrophobicContact CG-CG 4.42Å; R65-L70 PolarHBondContact O-N 2.77Å; I68-L70 HydrophobicContact CB-CD1 4.31Å; I68-L70 HydrophobicContact CB-CD2 4.37Å; I68-L70 HydrophobicContact CB-CG 3.89Å; I68-L70 HydrophobicContact CG2-CD1 4.22Å; I68-L70 HydrophobicContact CG2-CD2 3.61Å; I68-L70 HydrophobicContact CG2-CG 3.69Å; I68-L70 PolarHBondContact O-N 3.23Å; L70-E74 WeakPolarHBondContact CA-OE2 3.4Å; L70-E74 HydrophobicContact CB-CB 4.22Å; L70-E74 HydrophobicContact CD2-CB 4.12Å; L70-L76 HydrophobicContact CD1-CB 3.9Å; L70-L76 HydrophobicContact CD1-CD1 4.27Å; L70-L76 HydrophobicContact CD1-CD2 4.16Å; L70-L76 HydrophobicContact CD1-CG 4.34Å
71R92.3Very high94.8Very high141 Ų14165.8 Ų65.853%0.53232%0.318SS..  trans-66.6162.1170-59.6176.1-71.1154.7-9.3110.5R65 E73 E74R65-R71 PolarHBondContact NH2-O 3.13Å; R71-E73 VanDerWaalsContact CB-CD 3.5Å; R71-E73 HydrophobicContact CB-CG 4.37Å; R71-E73 WeakPolarHBondContact CB-OE2 3.39Å; R71-E73 WeakPolarHBondContact CD-OE1 3.33Å; R71-E73 IonicContact CZ-OE1 2.78Å; R71-E73 IonicContact NE-OE1 3.27Å; R71-E73 IonicContact NH1-OE1 3.81Å; R71-E73 PolarHBondContact NH1-OE1 2.75Å; R71-E73 PolarHBondContact O-N 3.06Å; R71-E74 HydrophobicContact CB-CG 4.26Å; R71-E74 IonicContact CZ-OE1 2.62Å; R71-E74 PolarHBondContact N-OE2 2.85Å; R71-E74 IonicContact NE-OE1 3.78Å; R71-E74 PolarHBondContact NE-OE1 3.11Å; R71-E74 VanDerWaalsContact NE-OE1 3.14Å; R71-E74 IonicContact NE-OE2 2.75Å; R71-E74 IonicContact NH2-OE1 2.8Å; R71-E74 PolarHBondContact NH2-OE1 2.88Å; R71-E74 PolarHBondContact O-N 3.39Å
72A90Very high94.5Very high95 Ų9568.2 Ų68.279%0.78533%0.333SS*.THydrogen-bonded Turntrans-63.6-28.7-174.400000113.4R65R65-A72 PolarHBondContact NH2-O 2.95Å
73E91.5Very high94.4Very high130 Ų13066.3 Ų66.361%0.60733%0.333SS*.THydrogen-bonded Turntrans-81.3-17.3179.263.5-88-156.300114.1R71R71-E73 VanDerWaalsContact CB-CD 3.5Å; R71-E73 HydrophobicContact CB-CG 4.37Å; R71-E73 WeakPolarHBondContact CB-OE2 3.39Å; R71-E73 WeakPolarHBondContact CD-OE1 3.33Å; R71-E73 IonicContact CZ-OE1 2.78Å; R71-E73 IonicContact NE-OE1 3.27Å; R71-E73 IonicContact NH1-OE1 3.81Å; R71-E73 PolarHBondContact NH1-OE1 2.75Å; R71-E73 PolarHBondContact O-N 3.06Å
74E94Very high94.4Very high53 Ų5365.4 Ų65.425%0.24833%0.327CS..  trans-77.8132.3-176.5-70.5173.6146.800111R65 L70 R71R65-E74 PolarHBondContact NH1-O 2.81Å; R65-E74 PolarHBondContact NH2-O 3.23Å; L70-E74 WeakPolarHBondContact CA-OE2 3.4Å; L70-E74 HydrophobicContact CB-CB 4.22Å; L70-E74 HydrophobicContact CD2-CB 4.12Å; R71-E74 HydrophobicContact CB-CG 4.26Å; R71-E74 IonicContact CZ-OE1 2.62Å; R71-E74 PolarHBondContact N-OE2 2.85Å; R71-E74 IonicContact NE-OE1 3.78Å; R71-E74 PolarHBondContact NE-OE1 3.11Å; R71-E74 VanDerWaalsContact NE-OE1 3.14Å; R71-E74 IonicContact NE-OE2 2.75Å; R71-E74 IonicContact NH2-OE1 2.8Å; R71-E74 PolarHBondContact NH2-OE1 2.88Å; R71-E74 PolarHBondContact O-N 3.39Å
75A93.7Very high94.4Very high42 Ų4265.7 Ų65.735%0.34733%0.329SS..  trans-80.1147.2179.500000111.1F77A75-F77 HydrophobicContact CB-CD2 4.41Å; A75-F77 HydrophobicContact CB-CE2 3.69Å; A75-F77 HydrophobicContact CB-CZ 4.31Å
76L95.8Very high94.5Very high13 Ų1366.8 Ų66.87%0.06835%0.345CS..  trans-142.7124.9171.9-179.566.5000107.4L41 Y61 I64 R65 I68 L70 F78 Y109 S110L41-L76 HydrophobicContact CD1-CD1 3.76Å; Y61-L76 HydrophobicContact CD1-CD2 4.01Å; Y61-L76 HydrophobicContact CD1-CG 4.1Å; Y61-L76 HydrophobicContact CE1-CG 4.14Å; Y61-L76 WeakPolarHBondContact CE1-O 3.41Å; I64-L76 HydrophobicContact CB-CD2 4.49Å; I64-L76 HydrophobicContact CG2-CD2 4.08Å; R65-L76 HydrophobicContact CB-CD2 4.14Å; I68-L76 HydrophobicContact CD1-CD1 4.13Å; L70-L76 HydrophobicContact CD1-CB 3.9Å; L70-L76 HydrophobicContact CD1-CD1 4.27Å; L70-L76 HydrophobicContact CD1-CD2 4.16Å; L70-L76 HydrophobicContact CD1-CG 4.34Å; L76-F78 HydrophobicContact CD2-CE1 4.23Å; L76-F78 HydrophobicContact CG-CE1 4.41Å; L76-Y109 HydrophobicContact CD1-CD2 3.71Å; L76-Y109 HydrophobicContact CD1-CG 4.15Å; L76-S110 CarbonylContact C-O 3.57Å; L76-S110 WeakPolarHBondContact CA-O 3.24Å
77F96Very high94.6Very high59 Ų5963.7 Ų63.726%0.25934%0.338SS..EExtended strand (participates in β ladder)trans-124.5136.6176-60.1-81.1000109.3Y61 A75 F79 I84 Y109 S110 E112Y61-F77 WeakPolarHBondContact OH-CA 3.21Å; A75-F77 HydrophobicContact CB-CD2 4.41Å; A75-F77 HydrophobicContact CB-CE2 3.69Å; A75-F77 HydrophobicContact CB-CZ 4.31Å; F77-F79 HydrophobicContact CB-CD2 4.5Å; F77-F79 HydrophobicContact CB-CE2 3.68Å; F77-F79 HydrophobicContact CB-CZ 4.09Å; F77-I84 HydrophobicContact CD1-CD1 3.99Å; F77-Y109 CarbonylContact O-C 3.49Å; F77-Y109 WeakPolarHBondContact O-CA 3.23Å; F77-S110 PolarHBondContact N-O 3.14Å; F77-S110 PolarHBondContact O-N 3.19Å; F77-E112 VanDerWaalsContact CD2-C 3.45Å
78F97Very high94.7Very high1 Ų163.3 Ų63.30%0.00436%0.355CS..EExtended strand (participates in β ladder)trans-96.9147.7170-71.2-16.3000109.7V57 F60 Y61 I64 L76 I84 P85 I107 A108V57-F78 HydrophobicContact CG1-CD2 4.38Å; F60-F78 HydrophobicContact CD1-CD2 4.49Å; F60-F78 AromaticContact CD1-CE2 3.59Å; F60-F78 HydrophobicContact CD1-CE2 3.59Å; F60-F78 HydrophobicContact CD1-CZ 4.04Å; F60-F78 HydrophobicContact CE1-CE2 4.22Å; F60-F78 HydrophobicContact CE1-CZ 4.31Å; F60-F78 HydrophobicContact CG-CE2 4.43Å; Y61-F78 HydrophobicContact CD1-CD1 4.2Å; Y61-F78 AromaticContact CD1-CD2 3.92Å; Y61-F78 HydrophobicContact CD1-CD2 3.92Å; Y61-F78 HydrophobicContact CD1-CE1 4.08Å; Y61-F78 AromaticContact CD1-CE2 3.79Å; Y61-F78 HydrophobicContact CD1-CE2 3.79Å; Y61-F78 HydrophobicContact CD1-CG 4.12Å; Y61-F78 AromaticContact CD1-CZ 3.87Å; Y61-F78 HydrophobicContact CD1-CZ 3.87Å; Y61-F78 AromaticContact CD2-CD2 3.65Å; Y61-F78 HydrophobicContact CD2-CD2 3.65Å; Y61-F78 AromaticContact CD2-CE2 3.78Å; Y61-F78 HydrophobicContact CD2-CE2 3.78Å; Y61-F78 HydrophobicContact CD2-CG 4.4Å; Y61-F78 HydrophobicContact CE1-CB 4.09Å; Y61-F78 AromaticContact CE1-CD1 3.81Å; Y61-F78 HydrophobicContact CE1-CD1 3.81Å; Y61-F78 AromaticContact CE1-CD2 3.8Å; Y61-F78 HydrophobicContact CE1-CD2 3.8Å; Y61-F78 HydrophobicContact CE1-CE1 4.15Å; Y61-F78 HydrophobicContact CE1-CE2 4.13Å; Y61-F78 AromaticContact CE1-CG 3.61Å; Y61-F78 HydrophobicContact CE1-CG 3.61Å; Y61-F78 HydrophobicContact CE1-CZ 4.3Å; Y61-F78 HydrophobicContact CE2-CB 4.1Å; Y61-F78 AromaticContact CE2-CD2 3.53Å; Y61-F78 HydrophobicContact CE2-CD2 3.53Å; Y61-F78 HydrophobicContact CE2-CE2 4.15Å; Y61-F78 AromaticContact CE2-CG 3.95Å; Y61-F78 HydrophobicContact CE2-CG 3.95Å; Y61-F78 AromaticContact CG-CD2 3.87Å; Y61-F78 HydrophobicContact CG-CD2 3.87Å; Y61-F78 AromaticContact CG-CE2 3.62Å; Y61-F78 HydrophobicContact CG-CE2 3.62Å; Y61-F78 HydrophobicContact CG-CG 4.5Å; Y61-F78 HydrophobicContact CG-CZ 4.08Å; Y61-F78 AromaticContact CZ-CD2 3.64Å; Y61-F78 AromaticContact CZ-CG 3.56Å; Y61-F78 VanDerWaalsContact CZ-N 3.35Å; Y61-F78 PolarHBondContact OH-N 2.95Å; I64-F78 HydrophobicContact CB-CE1 4.19Å; I64-F78 HydrophobicContact CB-CZ 3.76Å; I64-F78 HydrophobicContact CG1-CE1 4.33Å; I64-F78 HydrophobicContact CG1-CZ 3.68Å; I64-F78 HydrophobicContact CG2-CE1 3.96Å; I64-F78 HydrophobicContact CG2-CZ 4.06Å; L76-F78 HydrophobicContact CD2-CE1 4.23Å; L76-F78 HydrophobicContact CG-CE1 4.41Å; F78-I84 WeakPolarHBondContact O-CA 3.34Å; F78-P85 HydrophobicContact CB-CG 4.19Å; F78-P85 WeakPolarHBondContact O-CD 3.21Å; F78-I107 HydrophobicContact CB-CG2 3.71Å; F78-I107 HydrophobicContact CD1-CG2 3.89Å; F78-I107 HydrophobicContact CD2-CG2 4.1Å; F78-I107 HydrophobicContact CG-CG2 3.64Å; F78-A108 CarbonylContact C-O 3.46Å; F78-A108 VanDerWaalsContact CA-O 3.24Å; F78-A108 WeakPolarHBondContact CA-O 3.41Å
79F96.3Very high94.9Very high7 Ų764.8 Ų64.83%0.03137%0.365CS..EExtended strand (participates in β ladder)trans-133.4130.5173.1-61-96.4000109.1F77 V83 I84 I107 A108 E112 Y115 L118F77-F79 HydrophobicContact CB-CD2 4.5Å; F77-F79 HydrophobicContact CB-CE2 3.68Å; F77-F79 HydrophobicContact CB-CZ 4.09Å; F79-V83 WeakPolarHBondContact CA-O 3.35Å; F79-I84 HydrophobicContact CD1-CG1 3.92Å; F79-I84 HydrophobicContact CE1-CD1 4.11Å; F79-I84 HydrophobicContact CE1-CG1 3.61Å; F79-I84 HydrophobicContact CZ-CD1 4.26Å; F79-I84 HydrophobicContact CZ-CG1 4.08Å; F79-I107 WeakPolarHBondContact O-CA 3.29Å; F79-A108 HydrophobicContact CB-CB 4.33Å; F79-A108 PolarHBondContact N-O 2.95Å; F79-A108 PolarHBondContact O-N 3Å; F79-E112 WeakPolarHBondContact CZ-O 3.17Å; F79-Y115 HydrophobicContact CD1-CD2 4.43Å; F79-L118 HydrophobicContact CB-CD1 3.65Å; F79-L118 HydrophobicContact CD1-CD1 3.72Å; F79-L118 HydrophobicContact CD2-CD1 3.58Å; F79-L118 HydrophobicContact CE1-CD1 4.21Å; F79-L118 HydrophobicContact CE2-CD1 4.08Å; F79-L118 HydrophobicContact CG-CD1 3.36Å; F79-L118 HydrophobicContact CZ-CD1 4.37Å
80V96.3Very high95.1Very high3 Ų359.9 Ų59.92%0.01835%0.346CS..BIsolated β-bridgetrans-125.7124172.1-178.10000106N82 V83 P85 L94 H98 L105 I107V80-N82 PolarHBondContact O-N 3.48Å; V80-N82 VanDerWaalsContact O-N 3.08Å; V80-V83 PolarHBondContact N-O 3.01Å; V80-V83 PolarHBondContact O-N 3.19Å; V80-V83 VanDerWaalsContact O-O 3.12Å; V80-P85 HydrophobicContact CG2-CG 4.2Å; V80-L94 HydrophobicContact CB-CD1 4.39Å; V80-L94 HydrophobicContact CG1-CD1 4.32Å; V80-L94 HydrophobicContact CG2-CD1 4.31Å; V80-L94 HydrophobicContact CG2-CD2 4.09Å; V80-L94 HydrophobicContact CG2-CG 4.48Å; V80-H98 HydrophobicContact CG1-CB 3.43Å; V80-H98 VanDerWaalsContact CG1-CB 3.43Å; V80-L105 HydrophobicContact CG1-CD1 3.86Å; V80-I107 HydrophobicContact CG2-CB 4.43Å; V80-I107 HydrophobicContact CG2-CD1 4.35Å; V80-I107 HydrophobicContact CG2-CG1 3.83Å; V80-I107 HydrophobicContact CG2-CG2 4.39Å
81D92.8Very high95.3Very high88 Ų8858.7 Ų58.747%0.47134%0.339SS..THydrogen-bonded Turntrans45.243.4-171.7-61.6-29.1000113.1V83 H98D81-V83 PolarHBondContact O-N 2.82Å; D81-H98 IonicContact OD2-CE1 2.87Å; D81-H98 IonicContact OD2-CG 3.63Å; D81-H98 IonicContact OD2-ND1 3.48Å; D81-H98 PolarHBondContact OD2-ND1 2.71Å
82N90.6Very high95.6Very high84 Ų8452.4 Ų52.445%0.44932%0.318SS..THydrogen-bonded Turntrans71.67.9176-44.4-30.6000114.8V80 Y115V80-N82 PolarHBondContact O-N 3.48Å; V80-N82 VanDerWaalsContact O-N 3.08Å; N82-Y115 VanDerWaalsContact CA-CD2 3.41Å; N82-Y115 HydrophobicContact CB-CD1 4.06Å; N82-Y115 HydrophobicContact CB-CD2 3.28Å; N82-Y115 HydrophobicContact CB-CE1 3.93Å; N82-Y115 HydrophobicContact CB-CE2 3.2Å; N82-Y115 HydrophobicContact CB-CG 3.78Å; N82-Y115 VanDerWaalsContact CG-OH 3.24Å; N82-Y115 PolarHBondContact ND2-OH 2.85Å; N82-Y115 WeakPolarHBondContact OD1-CE2 3.42Å; N82-Y115 PolarHBondContact OD1-OH 2.81Å
83V93.2Very high96Very high97 Ų9751.6 Ų51.659%0.58830%0.298SS*.BIsolated β-bridgetrans-117.2143.2-179.8-178.10000110.3F79 V80 D81 P85F79-V83 WeakPolarHBondContact CA-O 3.35Å; V80-V83 PolarHBondContact N-O 3.01Å; V80-V83 PolarHBondContact O-N 3.19Å; V80-V83 VanDerWaalsContact O-O 3.12Å; D81-V83 PolarHBondContact O-N 2.82Å; V83-P85 WeakPolarHBondContact O-CD 3.26Å
84I96.1Very high96.3Very high67 Ų6745.7 Ų45.734%0.34427%0.271SS..PPolyproline II helixtrans-74.6116.8172.8-60.9175.2000108.5F77 F78 F79F77-I84 HydrophobicContact CD1-CD1 3.99Å; F78-I84 WeakPolarHBondContact O-CA 3.34Å; F79-I84 HydrophobicContact CD1-CG1 3.92Å; F79-I84 HydrophobicContact CE1-CD1 4.11Å; F79-I84 HydrophobicContact CE1-CG1 3.61Å; F79-I84 HydrophobicContact CZ-CD1 4.26Å; F79-I84 HydrophobicContact CZ-CG1 4.08Å
85P97.4Very high96.6Very high7 Ų743.6 Ų43.65%0.04526%0.261CS..PPolyproline II helixtrans-68.7145.1-179.127.8-34.4000111.3V57 F78 V80 V83 T87 L94V57-P85 HydrophobicContact CG1-CB 4.25Å; V57-P85 HydrophobicContact CG1-CG 3.85Å; V57-P85 HydrophobicContact CG2-CB 4.42Å; F78-P85 HydrophobicContact CB-CG 4.19Å; F78-P85 WeakPolarHBondContact O-CD 3.21Å; V80-P85 HydrophobicContact CG2-CG 4.2Å; V83-P85 WeakPolarHBondContact O-CD 3.26Å; P85-T87 PolarHBondContact O-N 3.05Å; P85-L94 HydrophobicContact CB-CD1 3.74Å; P85-L94 HydrophobicContact CB-CD2 4.05Å; P85-L94 HydrophobicContact CG-CD2 4.36Å
86P97.5Very high96.8Very high85 Ų8547.9 Ų47.955%0.55227%0.274SS*.PPolyproline II helixtrans-62.3131.7175.6-18.129.7000111.1A88 T89P86-A88 PolarHBondContact O-N 2.64Å; P86-T89 WeakPolarHBondContact O-CB 3.47Å; P86-T89 PolarHBondContact O-N 3.18Å; P86-T89 VanDerWaalsContact O-N 3.14Å
87T97.4Very high96.9Very high85 Ų8551.8 Ų51.852%0.52130%0.295SS..THydrogen-bonded Turntrans-65.3-25.8-175.451.80000113.7G58 Y61 P85G58-T87 PolarHBondContact N-O 3.24Å; Y61-T87 HydrophobicContact CD2-CG2 4.44Å; Y61-T87 HydrophobicContact CE2-CG2 4.29Å; P85-T87 PolarHBondContact O-N 3.05Å
88A98Very high97Very high86 Ų8652 Ų5271%0.71130%0.297SS*.THydrogen-bonded Turntrans-79.3-18.4178.300000113.6P86P86-A88 PolarHBondContact O-N 2.64Å
89T98.3Very high97Very high37 Ų3755.1 Ų55.123%0.22731%0.311CS..SBendtrans-68.1145.8179.3-58.50000110.2T56 V57 P86 Q93T56-T89 CarbonylContact C-O 3.5Å; T56-T89 WeakPolarHBondContact CA-O 3.25Å; V57-T89 WeakPolarHBondContact CG2-O 3.39Å; V57-T89 PolarHBondContact N-O 2.88Å; P86-T89 WeakPolarHBondContact O-CB 3.47Å; P86-T89 PolarHBondContact O-N 3.18Å; P86-T89 VanDerWaalsContact O-N 3.14Å; T89-Q93 HydrophobicContact CG2-CB 3.73Å; T89-Q93 HydrophobicContact CG2-CG 3.81Å
90T98.7Very high97.1Very high52 Ų5257.6 Ų57.632%0.31932%0.322SS..BIsolated β-bridgetrans-77.9150.8173.666.40000110.9S53 L55 G92 Q93 L94S53-T90 WeakPolarHBondContact O-CB 3.5Å; L55-T90 CarbonylContact O-C 3.55Å; L55-T90 WeakPolarHBondContact O-CA 3.2Å; T90-G92 PolarHBondContact O-N 2.93Å; T90-Q93 PolarHBondContact O-N 2.79Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.39Å; T90-Q93 PolarHBondContact OG1-N 2.89Å; T90-Q93 VanDerWaalsContact OG1-N 3.15Å; T90-L94 PolarHBondContact O-N 3.31Å
91M98.8Very high97.2Very high0 Ų064.7 Ų64.70%036%0.355CS..Hα-helixtrans-59-35.8174.7-69.1-58.6-62.100110.7I29 V31 V51 L55 V57 F60 L94 Y95 L105 I107I29-M91 HydrophobicContact CD1-CB 3.66Å; I29-M91 HydrophobicContact CD1-CE 3.93Å; I29-M91 WeakPolarHBondContact CD1-O 3.35Å; I29-M91 HydrophobicContact CG1-CB 4.31Å; V31-M91 HydrophobicContact CG2-CE 4.07Å; V51-M91 HydrophobicContact CG1-CB 4.4Å; V51-M91 HydrophobicContact CG1-CG 4.07Å; L55-M91 HydrophobicContact CB-CG 4.22Å; L55-M91 HydrophobicContact CD2-CG 4.45Å; L55-M91 WeakPolarHBondContact O-CB 3.16Å; L55-M91 VanDerWaalsContact O-CG 3.29Å; L55-M91 WeakPolarHBondContact O-CG 3.38Å; L55-M91 PolarHBondContact O-N 3.3Å; V57-M91 HydrophobicContact CB-SD 4.48Å; V57-M91 HydrophobicContact CG2-SD 3.87Å; F60-M91 HydrophobicContact CB-CG 4.26Å; F60-M91 HydrophobicContact CB-SD 3.78Å; F60-M91 HydrophobicContact CD1-CE 3.7Å; F60-M91 HydrophobicContact CD1-SD 3.94Å; F60-M91 HydrophobicContact CE1-CE 4.05Å; F60-M91 HydrophobicContact CG-CE 4.05Å; F60-M91 HydrophobicContact CG-SD 3.97Å; M91-L94 PolarHBondContact O-N 3.03Å; M91-L94 HydrophobicContact SD-CD2 4.35Å; M91-Y95 WeakPolarHBondContact O-CB 3.3Å; M91-Y95 PolarHBondContact O-N 3.02Å; M91-L105 HydrophobicContact CE-CD2 4.03Å; M91-I107 HydrophobicContact CE-CD1 3.75Å
92G98.6Very high97.5Very high9 Ų960.5 Ų60.59%0.09333%0.333CS..Hα-helixtrans-61.8-45.1174.400000113.5S53 T90 Y95 Q96S53-G92 VanDerWaalsContact O-CA 3.3Å; S53-G92 WeakPolarHBondContact O-CA 3.45Å; S53-G92 PolarHBondContact O-N 2.79Å; T90-G92 PolarHBondContact O-N 2.93Å; G92-Y95 PolarHBondContact O-N 2.82Å; G92-Q96 WeakPolarHBondContact O-CG 3.47Å; G92-Q96 PolarHBondContact O-N 2.6Å
93Q98.5Very high97.9Very high78 Ų7858.9 Ų58.936%0.36432%0.323SS..Hα-helixtrans-64.8-47.5175.1-176.961.555.400110.7T89 T90 Y95 Q96 D97T89-Q93 HydrophobicContact CG2-CB 3.73Å; T89-Q93 HydrophobicContact CG2-CG 3.81Å; T90-Q93 PolarHBondContact O-N 2.79Å; T90-Q93 WeakPolarHBondContact OG1-CB 3.39Å; T90-Q93 PolarHBondContact OG1-N 2.89Å; T90-Q93 VanDerWaalsContact OG1-N 3.15Å; Q93-Y95 PolarHBondContact O-N 2.86Å; Q93-Q96 WeakPolarHBondContact O-CB 3.25Å; Q93-Q96 PolarHBondContact O-N 3.39Å; Q93-D97 VanDerWaalsContact NE2-CG 3.28Å; Q93-D97 PolarHBondContact NE2-OD1 2.75Å; Q93-D97 PolarHBondContact NE2-OD2 2.9Å; Q93-D97 PolarHBondContact O-N 2.6Å
94L98.5Very high98.1Very high6 Ų654.3 Ų54.33%0.03130%0.295CS..Hα-helixtrans-56.9-39.3176.8-174.566.7000112.1V57 V80 P85 T90 M91 H98 L105 I107V57-L94 HydrophobicContact CG2-CD2 3.72Å; V80-L94 HydrophobicContact CB-CD1 4.39Å; V80-L94 HydrophobicContact CG1-CD1 4.32Å; V80-L94 HydrophobicContact CG2-CD1 4.31Å; V80-L94 HydrophobicContact CG2-CD2 4.09Å; V80-L94 HydrophobicContact CG2-CG 4.48Å; P85-L94 HydrophobicContact CB-CD1 3.74Å; P85-L94 HydrophobicContact CB-CD2 4.05Å; P85-L94 HydrophobicContact CG-CD2 4.36Å; T90-L94 PolarHBondContact O-N 3.31Å; M91-L94 PolarHBondContact O-N 3.03Å; M91-L94 HydrophobicContact SD-CD2 4.35Å; L94-H98 WeakPolarHBondContact O-CB 3.13Å; L94-H98 PolarHBondContact O-N 2.74Å; L94-L105 HydrophobicContact CB-CD2 4.44Å; L94-L105 HydrophobicContact CD2-CD2 3.93Å; L94-L105 HydrophobicContact CG-CD1 4.33Å; L94-L105 HydrophobicContact CG-CD2 3.97Å; L94-I107 HydrophobicContact CD2-CD1 4.4Å
95Y98.7Very high98.3Very high9 Ų951.1 Ų51.14%0.03528%0.279CS..Hα-helixtrans-64.2-45.9173.3177.8-78.4000111.8I29 P30 M91 G92 Q93 D97 H98 H99 Q103 L105I29-Y95 HydrophobicContact CB-CD2 3.84Å; I29-Y95 HydrophobicContact CB-CG 4.17Å; I29-Y95 HydrophobicContact CD1-CD2 4.43Å; I29-Y95 HydrophobicContact CG2-CD2 4.15Å; I29-Y95 HydrophobicContact CG2-CG 3.96Å; P30-Y95 HydrophobicContact CG-CE2 4.27Å; M91-Y95 WeakPolarHBondContact O-CB 3.3Å; M91-Y95 PolarHBondContact O-N 3.02Å; G92-Y95 PolarHBondContact O-N 2.82Å; Q93-Y95 PolarHBondContact O-N 2.86Å; Y95-D97 PolarHBondContact O-N 3.04Å; Y95-H98 PolarHBondContact O-N 2.66Å; Y95-H99 HydrophobicContact CD1-CB 3.96Å; Y95-H99 AromaticContact CD1-CG 3.98Å; Y95-H99 AromaticContact CD1-ND1 3.97Å; Y95-H99 HydrophobicContact CD2-CB 3.72Å; Y95-H99 HydrophobicContact CE1-CB 3.74Å; Y95-H99 AromaticContact CE1-CD2 3.89Å; Y95-H99 AromaticContact CE1-CG 3.49Å; Y95-H99 VanDerWaalsContact CE1-CG 3.49Å; Y95-H99 AromaticContact CE1-ND1 3.72Å; Y95-H99 HydrophobicContact CE2-CB 3.52Å; Y95-H99 HydrophobicContact CG-CB 3.93Å; Y95-H99 AromaticContact CZ-CD2 3.8Å; Y95-H99 AromaticContact CZ-CG 3.58Å; Y95-H99 WeakPolarHBondContact O-CB 3.04Å; Y95-H99 VanDerWaalsContact O-CG 3.31Å; Y95-H99 PolarHBondContact O-N 3.2Å; Y95-H99 PolarHBondContact O-ND1 2.79Å; Y95-Q103 PolarHBondContact OH-O 2.9Å; Y95-Q103 VanDerWaalsContact OH-O 3.11Å; Y95-Q103 PolarHBondContact OH-OE1 3.36Å; Y95-L105 HydrophobicContact CD2-CB 3.9Å
96Q98Very high98.3Very high132 Ų13251 Ų5162%0.61728%0.278SS*.Hα-helixtrans-58.7-40.4179.9-73.9178.76.200111.6G92 Q93G92-Q96 WeakPolarHBondContact O-CG 3.47Å; G92-Q96 PolarHBondContact O-N 2.6Å; Q93-Q96 WeakPolarHBondContact O-CB 3.25Å; Q93-Q96 PolarHBondContact O-N 3.39Å
97D98Very high98.3Very high95 Ų9547 Ų4751%0.50825%0.252SS..Hα-helixtrans-78-31.8-176.2-60.5-25.2000112.8Q93 Y95Q93-D97 VanDerWaalsContact NE2-CG 3.28Å; Q93-D97 PolarHBondContact NE2-OD1 2.75Å; Q93-D97 PolarHBondContact NE2-OD2 2.9Å; Q93-D97 PolarHBondContact O-N 2.6Å; Y95-D97 PolarHBondContact O-N 3.04Å
98H98.2Very high98.3Very high65 Ų6543.1 Ų43.130%0.30123%0.228SC..Hα-helixtrans-135.56.5-165.6-62.4-80.9000116.3V80 D81 L94 Y95 L105V80-H98 HydrophobicContact CG1-CB 3.43Å; V80-H98 VanDerWaalsContact CG1-CB 3.43Å; D81-H98 IonicContact OD2-CE1 2.87Å; D81-H98 IonicContact OD2-CG 3.63Å; D81-H98 IonicContact OD2-ND1 3.48Å; D81-H98 PolarHBondContact OD2-ND1 2.71Å; L94-H98 WeakPolarHBondContact O-CB 3.13Å; L94-H98 PolarHBondContact O-N 2.74Å; Y95-H98 PolarHBondContact O-N 2.66Å; H98-L105 HydrophobicContact CB-CD1 3.94Å
99H98.2Very high98.2Very high66 Ų6639.1 Ų39.131%0.30619%0.194SC..  trans-63.7147.2171.475-72000110.6Y95 F104Y95-H99 HydrophobicContact CD1-CB 3.96Å; Y95-H99 AromaticContact CD1-CG 3.98Å; Y95-H99 AromaticContact CD1-ND1 3.97Å; Y95-H99 HydrophobicContact CD2-CB 3.72Å; Y95-H99 HydrophobicContact CE1-CB 3.74Å; Y95-H99 AromaticContact CE1-CD2 3.89Å; Y95-H99 AromaticContact CE1-CG 3.49Å; Y95-H99 VanDerWaalsContact CE1-CG 3.49Å; Y95-H99 AromaticContact CE1-ND1 3.72Å; Y95-H99 HydrophobicContact CE2-CB 3.52Å; Y95-H99 HydrophobicContact CG-CB 3.93Å; Y95-H99 AromaticContact CZ-CD2 3.8Å; Y95-H99 AromaticContact CZ-CG 3.58Å; Y95-H99 WeakPolarHBondContact O-CB 3.04Å; Y95-H99 VanDerWaalsContact O-CG 3.31Å; Y95-H99 PolarHBondContact O-N 3.2Å; Y95-H99 PolarHBondContact O-ND1 2.79Å; H99-F104 WeakPolarHBondContact CA-O 3.24Å
100E98.1Very high98Very high58 Ų5837.4 Ų37.427%0.27118%0.184SC..  trans-89169.8175.6-69.4-170.3-152.400111.9K6 D102 Q103 F104 Y106K6-E100 WeakPolarHBondContact CE-OE2 3.42Å; K6-E100 IonicContact NZ-OE1 2.75Å; K6-E100 PolarHBondContact NZ-OE1 3.08Å; K6-E100 IonicContact NZ-OE2 3.33Å; K6-E100 PolarHBondContact NZ-OE2 2.94Å; E100-D102 PolarHBondContact O-N 2.9Å; E100-Q103 PolarHBondContact O-N 2.81Å; E100-F104 PolarHBondContact N-O 2.73Å; E100-Y106 HydrophobicContact CB-CD2 4.24Å; E100-Y106 HydrophobicContact CB-CE2 4.15Å; E100-Y106 HydrophobicContact CG-CD2 3.93Å; E100-Y106 HydrophobicContact CG-CE2 4.28Å
101E98.1Very high97.8Very high152 Ų15236 Ų3671%0.7117%0.174SC*.THydrogen-bonded Turntrans-57.8-22-177.6-64-174.7-177.600114.1F11 Q103F11-E101 HydrophobicContact CE2-CB 4.04Å; F11-E101 HydrophobicContact CZ-CB 4.08Å; E101-Q103 PolarHBondContact O-N 2.86Å
102D98.5Very high97.5Very high1 Ų139.3 Ų39.31%0.00519%0.19CC..THydrogen-bonded Turntrans-804.7175.577-22.1000113.9F11 R14 R15 E100 F104 Y106F11-D102 HydrophobicContact CD2-CB 4.17Å; F11-D102 HydrophobicContact CE2-CB 3.96Å; R14-D102 HydrophobicContact CB-CB 3.83Å; R14-D102 WeakPolarHBondContact CB-OD2 3.37Å; R14-D102 WeakPolarHBondContact CD-OD2 3.42Å; R14-D102 IonicContact CZ-OD2 3.04Å; R14-D102 IonicContact NE-OD2 3.36Å; R14-D102 VanDerWaalsContact NH1-CG 3.31Å; R14-D102 IonicContact NH1-OD2 2.66Å; R14-D102 PolarHBondContact NH1-OD2 2.75Å; R15-D102 WeakPolarHBondContact CA-O 3.32Å; R15-D102 HydrophobicContact CB-CB 4.46Å; E100-D102 PolarHBondContact O-N 2.9Å; D102-F104 VanDerWaalsContact C-N 3.35Å; D102-F104 WeakPolarHBondContact O-CD2 3.35Å; D102-F104 PolarHBondContact OD1-N 2.78Å; D102-Y106 PolarHBondContact OD2-OH 3.14Å
103Q98.5Very high97Very high49 Ų4941.9 Ų41.923%0.22921%0.206CC..SBendtrans69.123.7179.9-55.2-64-65.100114.7E19 P30 Y95 E100 E101E19-Q103 HydrophobicContact CG-CG 3.87Å; P30-Q103 WeakPolarHBondContact CG-O 3.41Å; Y95-Q103 PolarHBondContact OH-O 2.9Å; Y95-Q103 VanDerWaalsContact OH-O 3.11Å; Y95-Q103 PolarHBondContact OH-OE1 3.36Å; E100-Q103 PolarHBondContact O-N 2.81Å; E101-Q103 PolarHBondContact O-N 2.86Å
104F98.7Very high96.2Very high1 Ų142 Ų420%0.00421%0.212CC..  trans-112.3146.4170.1-74.9-96.4000111.9R14 E17 P30 I32 K48 H99 E100 D102 Y106R14-F104 WeakPolarHBondContact O-CE2 3.19Å; E17-F104 HydrophobicContact CB-CZ 4.49Å; E17-F104 HydrophobicContact CG-CZ 4.2Å; P30-F104 HydrophobicContact CB-CD1 3.65Å; P30-F104 HydrophobicContact CB-CE1 3.61Å; P30-F104 HydrophobicContact CB-CG 4.41Å; P30-F104 HydrophobicContact CB-CZ 4.32Å; P30-F104 HydrophobicContact CG-CD1 4.2Å; P30-F104 HydrophobicContact CG-CE1 4.42Å; I32-F104 HydrophobicContact CD1-CD1 3.72Å; I32-F104 HydrophobicContact CD1-CE1 3.87Å; I32-F104 HydrophobicContact CG1-CB 4.21Å; I32-F104 HydrophobicContact CG1-CD1 3.63Å; I32-F104 HydrophobicContact CG1-CE1 4.3Å; I32-F104 HydrophobicContact CG1-CG 4.12Å; K48-F104 HydrophobicContact CD-CE1 3.9Å; K48-F104 HydrophobicContact CD-CZ 4.3Å; K48-F104 HydrophobicContact CG-CE1 4.22Å; H99-F104 WeakPolarHBondContact CA-O 3.24Å; E100-F104 PolarHBondContact N-O 2.73Å; D102-F104 VanDerWaalsContact C-N 3.35Å; D102-F104 WeakPolarHBondContact O-CD2 3.35Å; D102-F104 PolarHBondContact OD1-N 2.78Å; F104-Y106 HydrophobicContact CB-CD2 4.27Å; F104-Y106 HydrophobicContact CB-CE2 3.62Å
105L98.7Very high94.7Very high0 Ų045.6 Ų45.60%023%0.226CC..EExtended strand (participates in β ladder)trans-89.7131.7162.6175.966.4000109.2I29 P30 V31 I32 V80 M91 L94 Y95 H98 I107I29-L105 HydrophobicContact CD1-CD2 3.94Å; P30-L105 PolarHBondContact O-N 3.37Å; V31-L105 CarbonylContact C-O 3.56Å; V31-L105 WeakPolarHBondContact CA-O 3.35Å; V31-L105 HydrophobicContact CG2-CB 4.47Å; V31-L105 HydrophobicContact CG2-CD2 4.42Å; I32-L105 PolarHBondContact N-O 2.93Å; V80-L105 HydrophobicContact CG1-CD1 3.86Å; M91-L105 HydrophobicContact CE-CD2 4.03Å; L94-L105 HydrophobicContact CB-CD2 4.44Å; L94-L105 HydrophobicContact CD2-CD2 3.93Å; L94-L105 HydrophobicContact CG-CD1 4.33Å; L94-L105 HydrophobicContact CG-CD2 3.97Å; Y95-L105 HydrophobicContact CD2-CB 3.9Å; H98-L105 HydrophobicContact CB-CD1 3.94Å; L105-I107 HydrophobicContact CD2-CD1 4.02Å; L105-I107 HydrophobicContact CD2-CG1 4.29Å; L105-I107 HydrophobicContact CG-CD1 4.41Å; L105-I107 HydrophobicContact CG-CG1 4.12Å
106Y98.4Very high93Very high6 Ų647.7 Ų47.72%0.02425%0.25CS..EExtended strand (participates in β ladder)trans-108.3122.7-178.8-73.4-90.4000110.9W3 Y5 K6 R14 I32 E100 D102 F104W3-Y106 AromaticContact CD2-CD1 3.61Å; W3-Y106 HydrophobicContact CD2-CD1 3.61Å; W3-Y106 HydrophobicContact CD2-CE1 4.38Å; W3-Y106 HydrophobicContact CD2-CG 4.31Å; W3-Y106 AromaticContact CE2-CD1 3.95Å; W3-Y106 AromaticContact CE3-CD1 3.68Å; W3-Y106 HydrophobicContact CE3-CD1 3.68Å; W3-Y106 HydrophobicContact CG-CD1 4.05Å; W3-Y106 HydrophobicContact CG-CE1 4.43Å; W3-Y106 HydrophobicContact CH2-CD1 4.4Å; W3-Y106 HydrophobicContact CZ2-CD1 4.37Å; W3-Y106 HydrophobicContact CZ2-CG 4.34Å; W3-Y106 HydrophobicContact CZ3-CD1 4.07Å; Y5-Y106 AromaticContact CD1-CE1 4Å; Y5-Y106 HydrophobicContact CD1-CE1 4Å; K6-Y106 HydrophobicContact CD-CE1 4.26Å; K6-Y106 HydrophobicContact CG-CE1 3.9Å; R14-Y106 PolarHBondContact NH1-OH 3.18Å; I32-Y106 HydrophobicContact CB-CD1 3.72Å; I32-Y106 HydrophobicContact CB-CE1 3.77Å; I32-Y106 HydrophobicContact CB-CG 4.47Å; I32-Y106 HydrophobicContact CG1-CD1 4.23Å; I32-Y106 HydrophobicContact CG1-CE1 3.78Å; I32-Y106 HydrophobicContact CG2-CD1 3.93Å; I32-Y106 HydrophobicContact CG2-CE1 3.92Å; E100-Y106 HydrophobicContact CB-CD2 4.24Å; E100-Y106 HydrophobicContact CB-CE2 4.15Å; E100-Y106 HydrophobicContact CG-CD2 3.93Å; E100-Y106 HydrophobicContact CG-CE2 4.28Å; D102-Y106 PolarHBondContact OD2-OH 3.14Å; F104-Y106 HydrophobicContact CB-CD2 4.27Å; F104-Y106 HydrophobicContact CB-CE2 3.62Å
107I97.6Very high91.2Very high1 Ų147.1 Ų47.11%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-125.1122.2-178.8-52.5-170.2000109.2W3 V31 I32 V33 E34 F60 F78 F79 V80 M91 L94 L105W3-I107 VanDerWaalsContact CH2-C 3.45Å; V31-I107 HydrophobicContact CG1-CD1 3.7Å; V31-I107 HydrophobicContact CG1-CG1 3.82Å; I32-I107 PolarHBondContact O-N 3.23Å; V33-I107 VanDerWaalsContact CA-O 3.25Å; V33-I107 WeakPolarHBondContact CA-O 3.31Å; V33-I107 HydrophobicContact CG2-CB 4.44Å; E34-I107 PolarHBondContact N-O 2.82Å; F60-I107 HydrophobicContact CD1-CD1 4.31Å; F60-I107 HydrophobicContact CE1-CD1 4.04Å; F78-I107 HydrophobicContact CB-CG2 3.71Å; F78-I107 HydrophobicContact CD1-CG2 3.89Å; F78-I107 HydrophobicContact CD2-CG2 4.1Å; F78-I107 HydrophobicContact CG-CG2 3.64Å; F79-I107 WeakPolarHBondContact O-CA 3.29Å; V80-I107 HydrophobicContact CG2-CB 4.43Å; V80-I107 HydrophobicContact CG2-CD1 4.35Å; V80-I107 HydrophobicContact CG2-CG1 3.83Å; V80-I107 HydrophobicContact CG2-CG2 4.39Å; M91-I107 HydrophobicContact CE-CD1 3.75Å; L94-I107 HydrophobicContact CD2-CD1 4.4Å; L105-I107 HydrophobicContact CD2-CD1 4.02Å; L105-I107 HydrophobicContact CD2-CG1 4.29Å; L105-I107 HydrophobicContact CG-CD1 4.41Å; L105-I107 HydrophobicContact CG-CG1 4.12Å
108A96.5Very high89.4Confident3 Ų344.4 Ų44.43%0.02523%0.228CC..EExtended strand (participates in β ladder)trans-94.1143.5171.700000109.1M1 W3 E34 F78 F79 L118M1-A108 HydrophobicContact CE-CB 4.03Å; M1-A108 HydrophobicContact SD-CB 3.29Å; M1-A108 WeakPolarHBondContact SD-CB 3.33Å; W3-A108 HydrophobicContact CH2-CB 3.94Å; E34-A108 CarbonylContact O-C 3.51Å; E34-A108 VanDerWaalsContact O-CA 3.26Å; E34-A108 WeakPolarHBondContact O-CA 3.29Å; F78-A108 CarbonylContact C-O 3.46Å; F78-A108 VanDerWaalsContact CA-O 3.24Å; F78-A108 WeakPolarHBondContact CA-O 3.41Å; F79-A108 HydrophobicContact CB-CB 4.33Å; F79-A108 PolarHBondContact N-O 2.95Å; F79-A108 PolarHBondContact O-N 3Å; A108-L118 HydrophobicContact CB-CD2 3.42Å; A108-L118 VanDerWaalsContact CB-CD2 3.42Å
109Y96.2Very high89Confident2 Ų243.4 Ų43.41%0.00822%0.224CC..EExtended strand (participates in β ladder)trans-118.8144.9172.976-89.8000113V33 E34 K35 A36 L41 E42 D43 L44 I68 L76 F77V33-Y109 HydrophobicContact CG1-CD1 3.81Å; V33-Y109 HydrophobicContact CG1-CE1 4.42Å; E34-Y109 VanDerWaalsContact C-CD1 3.45Å; E34-Y109 VanDerWaalsContact C-CE1 3.5Å; E34-Y109 WeakPolarHBondContact O-CD1 3.11Å; E34-Y109 PolarHBondContact O-N 3.07Å; K35-Y109 HydrophobicContact CB-CD1 4.43Å; K35-Y109 HydrophobicContact CB-CE1 3.69Å; K35-Y109 HydrophobicContact CB-CE2 4.08Å; K35-Y109 VanDerWaalsContact CB-CZ 3.49Å; K35-Y109 HydrophobicContact CD-CE2 4.13Å; K35-Y109 HydrophobicContact CG-CD2 4.46Å; K35-Y109 HydrophobicContact CG-CE1 4.31Å; K35-Y109 HydrophobicContact CG-CE2 3.78Å; K35-Y109 VanDerWaalsContact N-CE1 3.27Å; A36-Y109 VanDerWaalsContact CB-O 3.29Å; A36-Y109 WeakPolarHBondContact CB-O 3.39Å; A36-Y109 PolarHBondContact N-O 3.24Å; L41-Y109 HydrophobicContact CB-CE2 4.23Å; L41-Y109 HydrophobicContact CD1-CD2 4.28Å; L41-Y109 HydrophobicContact CD1-CE2 4.43Å; E42-Y109 PolarHBondContact O-OH 3.16Å; D43-Y109 WeakPolarHBondContact CA-OH 3.4Å; L44-Y109 HydrophobicContact CD1-CD1 4.17Å; L44-Y109 HydrophobicContact CD1-CE1 3.68Å; L44-Y109 HydrophobicContact CG-CE1 4.01Å; L44-Y109 PolarHBondContact N-OH 2.91Å; I68-Y109 HydrophobicContact CD1-CD2 3.86Å; I68-Y109 HydrophobicContact CD1-CE2 3.58Å; I68-Y109 HydrophobicContact CD1-CG 4.49Å; L76-Y109 HydrophobicContact CD1-CD2 3.71Å; L76-Y109 HydrophobicContact CD1-CG 4.15Å; F77-Y109 CarbonylContact O-C 3.49Å; F77-Y109 WeakPolarHBondContact O-CA 3.23Å
110S95.3Very high88.5Confident1 Ų142.2 Ų42.21%0.00722%0.22CC..EExtended strand (participates in β ladder)trans-146.2156.6-179.3-167.80000112.2L76 F77 E112L76-S110 CarbonylContact C-O 3.57Å; L76-S110 WeakPolarHBondContact CA-O 3.24Å; F77-S110 PolarHBondContact N-O 3.14Å; F77-S110 PolarHBondContact O-N 3.19Å; S110-E112 VanDerWaalsContact C-N 3.29Å; S110-E112 PolarHBondContact OG-N 2.76Å
111D94.2Very high87.9Confident21 Ų2141.3 Ų41.311%0.11222%0.217CC..SBendtrans-80.6-10165.852.8-50000113C39 R40 L41C39-D111 VanDerWaalsContact CA-OD1 3.23Å; C39-D111 WeakPolarHBondContact CA-OD1 3.42Å; C39-D111 PolarHBondContact SG-OD1 3.15Å; R40-D111 IonicContact CZ-OD2 3.58Å; R40-D111 VanDerWaalsContact CZ-OD2 3.27Å; R40-D111 PolarHBondContact N-OD1 2.96Å; R40-D111 IonicContact NE-OD2 2.81Å; R40-D111 PolarHBondContact NE-OD2 3.18Å; R40-D111 IonicContact NH2-OD2 2.85Å; R40-D111 PolarHBondContact NH2-OD2 3.41Å; L41-D111 HydrophobicContact CD1-CB 4.13Å; L41-D111 HydrophobicContact CD2-CB 3.9Å; L41-D111 HydrophobicContact CG-CB 3.83Å
112E92.4Very high87.3Confident70 Ų7034.8 Ų34.833%0.32719%0.188SC..SBendtrans-109.4138.3-179.5-63.5-71169.600111R40 F77 F79 S110 V114R40-E112 IonicContact CZ-OE1 2.91Å; R40-E112 IonicContact NH2-OE1 3.51Å; R40-E112 PolarHBondContact NH2-OE1 3.3Å; F77-E112 VanDerWaalsContact CD2-C 3.45Å; F79-E112 WeakPolarHBondContact CZ-O 3.17Å; S110-E112 VanDerWaalsContact C-N 3.29Å; S110-E112 PolarHBondContact OG-N 2.76Å; E112-V114 VanDerWaalsContact C-N 3.28Å; E112-V114 PolarHBondContact O-N 2.97Å
113S88.6Confident86.6Confident63 Ų6336.9 Ų36.944%0.44120%0.199SC..SBendtrans-82.7-1.3-17869.10000114.3
114V81.8Confident85.9Confident81 Ų8136.1 Ų36.149%0.49120%0.197SC..  trans-104.2128.2-173.6-177.70000110.2E112 G116E112-V114 VanDerWaalsContact C-N 3.28Å; E112-V114 PolarHBondContact O-N 2.97Å; V114-G116 PolarHBondContact O-N 2.9Å
115Y65.1Low84.9Confident82 Ų8238.6 Ų38.632%0.32221%0.211SC..G310 helixtrans-60.9-26.4-178.1177.5-101.6000114.3M1 F79 N82 W117 L118M1-Y115 PolarHBondContact N-OH 2.8Å; F79-Y115 HydrophobicContact CD1-CD2 4.43Å; N82-Y115 VanDerWaalsContact CA-CD2 3.41Å; N82-Y115 HydrophobicContact CB-CD1 4.06Å; N82-Y115 HydrophobicContact CB-CD2 3.28Å; N82-Y115 HydrophobicContact CB-CE1 3.93Å; N82-Y115 HydrophobicContact CB-CE2 3.2Å; N82-Y115 HydrophobicContact CB-CG 3.78Å; N82-Y115 VanDerWaalsContact CG-OH 3.24Å; N82-Y115 PolarHBondContact ND2-OH 2.85Å; N82-Y115 WeakPolarHBondContact OD1-CE2 3.42Å; N82-Y115 PolarHBondContact OD1-OH 2.81Å; Y115-W117 PolarHBondContact O-N 3.5Å; Y115-L118 HydrophobicContact CD2-CB 3.87Å; Y115-L118 HydrophobicContact CD2-CD1 3.22Å; Y115-L118 HydrophobicContact CD2-CG 4.13Å; Y115-L118 HydrophobicContact CE2-CB 3.43Å; Y115-L118 VanDerWaalsContact CE2-CB 3.43Å; Y115-L118 HydrophobicContact CE2-CD1 3.46Å; Y115-L118 VanDerWaalsContact CE2-CD1 3.46Å; Y115-L118 HydrophobicContact CE2-CG 4.06Å; Y115-L118 HydrophobicContact CG-CD1 4.29Å; Y115-L118 WeakPolarHBondContact O-CB 3.48Å; Y115-L118 PolarHBondContact O-N 3.42Å
116G64.8Low83.9Confident53 Ų5341.5 Ų41.555%0.54623%0.227SC..G310 helixtrans-59.31.2-178.400000116.3V114V114-G116 PolarHBondContact O-N 2.9Å
117W59.5Low82.7Confident120 Ų12044.5 Ų44.546%0.45524%0.244SC..G310 helixtrans-1084177.7-56.696.5000114K38 Y115K38-W117 HydrophobicContact CB-CB 4.22Å; K38-W117 HydrophobicContact CB-CE3 3.98Å; K38-W117 HydrophobicContact CD-CB 4.29Å; K38-W117 HydrophobicContact CD-CD2 4.12Å; K38-W117 HydrophobicContact CD-CE3 3.2Å; K38-W117 HydrophobicContact CD-CZ3 3.79Å; K38-W117 HydrophobicContact CG-CE3 4.24Å; Y115-W117 PolarHBondContact O-N 3.5Å
118L60.2Low81.3Confident37 Ų3748.5 Ų48.519%0.19427%0.266CS..  trans-97.90-179.8-79.3160.3000115.5M1 A36 P37 F79 A108 Y115M1-L118 WeakPolarHBondContact CA-OXT 3.39Å; M1-L118 WeakPolarHBondContact CB-OXT 3.41Å; M1-L118 HydrophobicContact SD-CD2 3.35Å; M1-L118 WeakPolarHBondContact SD-CD2 2.83Å; A36-L118 HydrophobicContact CB-CD2 3.26Å; A36-L118 HydrophobicContact CB-CG 3.99Å; P37-L118 WeakPolarHBondContact CD-OXT 3.36Å; F79-L118 HydrophobicContact CB-CD1 3.65Å; F79-L118 HydrophobicContact CD1-CD1 3.72Å; F79-L118 HydrophobicContact CD2-CD1 3.58Å; F79-L118 HydrophobicContact CE1-CD1 4.21Å; F79-L118 HydrophobicContact CE2-CD1 4.08Å; F79-L118 HydrophobicContact CG-CD1 3.36Å; F79-L118 HydrophobicContact CZ-CD1 4.37Å; A108-L118 HydrophobicContact CB-CD2 3.42Å; A108-L118 VanDerWaalsContact CB-CD2 3.42Å; Y115-L118 HydrophobicContact CD2-CB 3.87Å; Y115-L118 HydrophobicContact CD2-CD1 3.22Å; Y115-L118 HydrophobicContact CD2-CG 4.13Å; Y115-L118 HydrophobicContact CE2-CB 3.43Å; Y115-L118 VanDerWaalsContact CE2-CB 3.43Å; Y115-L118 HydrophobicContact CE2-CD1 3.46Å; Y115-L118 VanDerWaalsContact CE2-CD1 3.46Å; Y115-L118 HydrophobicContact CE2-CG 4.06Å; Y115-L118 HydrophobicContact CG-CD1 4.29Å; Y115-L118 WeakPolarHBondContact O-CB 3.48Å; Y115-L118 PolarHBondContact O-N 3.42Å

Retrieved 118 of 118 residues in 570.8 ms (Link to these results)

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