A0A3Q0KN42_SCHMA Loading...

C2 domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KN42, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 590 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
1M56.7Low86.8Confident198 Ų19852.2 Ų52.298%0.97526%0.255SS*.  0160.50-78.5170.3161.300108.4
2M69.3Low87.4Confident120 Ų12047.8 Ų47.859%0.59123%0.233SC*.PPolyproline II helixtrans-87.7131.5167.9-175.7178.6-80.500108.1I4 N93M2-I4 PolarHBondContact O-N 2.7Å; M2-N93 HydrophobicContact SD-CB 3.7Å
3N85Confident87.9Confident78 Ų7845.8 Ų45.842%0.41722%0.223SC..PPolyproline II helixtrans-71.5123.4177.3-63.8-12.5000108.9Y135N3-Y135 HydrophobicContact CB-CD1 3.59Å; N3-Y135 HydrophobicContact CB-CE1 3.95Å; N3-Y135 HydrophobicContact CB-CG 4.09Å
4I90.1Very high88.4Confident26 Ų2646.7 Ų46.713%0.13322%0.223CC..PPolyproline II helixtrans-88.8121.7-176.5-53.6164.2000108.3M2 K6 P69 L92 Y135 W136 T140 A142M2-I4 PolarHBondContact O-N 2.7Å; I4-K6 PolarHBondContact O-N 3.49Å; I4-P69 HydrophobicContact CD1-CB 4.33Å; I4-P69 HydrophobicContact CG2-CB 4.02Å; I4-P69 WeakPolarHBondContact CG2-O 3.48Å; I4-L92 HydrophobicContact CG2-CD1 4.16Å; I4-Y135 WeakPolarHBondContact O-CA 3.44Å; I4-W136 HydrophobicContact CB-CB 4.37Å; I4-W136 PolarHBondContact O-N 3.38Å; I4-T140 HydrophobicContact CD1-CG2 4.24Å; I4-T140 VanDerWaalsContact CD1-O 3.23Å; I4-T140 WeakPolarHBondContact CD1-O 3.4Å; I4-A142 HydrophobicContact CD1-CB 3.82Å
5P92.5Very high88.8Confident4 Ų443.6 Ų43.63%0.02621%0.208CC..EExtended strand (participates in β ladder)trans-55134.7175.5-24.632.1000112.7V8 L66 V95 A132 W136P5-V8 HydrophobicContact CB-CG1 3.79Å; P5-L66 HydrophobicContact CB-CD1 4.25Å; P5-V95 HydrophobicContact CG-CB 3.89Å; P5-V95 HydrophobicContact CG-CG1 4Å; P5-V95 HydrophobicContact CG-CG2 4.43Å; P5-A132 HydrophobicContact CB-CB 3.96Å; P5-A132 HydrophobicContact CG-CB 4.08Å; P5-W136 PolarHBondContact O-NE1 3.09Å
6K93.5Very high89.2Confident73 Ų7343.4 Ų43.432%0.31721%0.207SC..EExtended strand (participates in β ladder)trans-112.8-36.7172170168.1161.6-95.30111.6I4 L66 D134 Y135 W136I4-K6 PolarHBondContact O-N 3.49Å; K6-L66 WeakPolarHBondContact O-CB 3.43Å; K6-L66 PolarHBondContact O-N 3.2Å; K6-D134 PolarHBondContact N-O 3.13Å; K6-D134 IonicContact NZ-OD2 3.01Å; K6-D134 PolarHBondContact NZ-OD2 3.11Å; K6-Y135 VanDerWaalsContact CB-C 3.4Å; K6-W136 HydrophobicContact CB-CD2 4.14Å; K6-W136 HydrophobicContact CB-CG 4Å; K6-W136 HydrophobicContact CD-CD2 4.08Å; K6-W136 HydrophobicContact CD-CE3 4.09Å; K6-W136 HydrophobicContact CD-CZ3 4.36Å; K6-W136 HydrophobicContact CG-CD2 4.29Å; K6-W136 HydrophobicContact CG-CZ2 4.36Å
7K93.9Very high89.3Confident58 Ų5846.2 Ų46.225%0.25222%0.224SC..EExtended strand (participates in β ladder)trans-126136.4170.7-163.9-177.2-167.575.80109.1T63 L64 D65 I133 D134K7-T63 HydrophobicContact CD-CG2 4.23Å; K7-T63 HydrophobicContact CG-CG2 3.93Å; K7-L64 WeakPolarHBondContact CA-O 3.25Å; K7-D65 WeakPolarHBondContact CD-OD1 3.4Å; K7-D65 WeakPolarHBondContact CG-OD1 3.4Å; K7-D65 IonicContact NZ-OD1 3.11Å; K7-D65 PolarHBondContact NZ-OD1 3.22Å; K7-D65 IonicContact NZ-OD2 2.61Å; K7-D65 PolarHBondContact NZ-OD2 3.46Å; K7-I133 HydrophobicContact CB-CB 4.37Å; K7-I133 HydrophobicContact CD-CB 4.38Å; K7-I133 HydrophobicContact CD-CD1 4.48Å; K7-I133 HydrophobicContact CD-CG2 4.31Å; K7-I133 HydrophobicContact CG-CB 4.42Å; K7-I133 HydrophobicContact CG-CD1 4.36Å; K7-I133 PolarHBondContact O-N 3.28Å; K7-D134 HydrophobicContact CB-CB 3.61Å; K7-D134 PolarHBondContact N-O 2.94Å; K7-D134 VanDerWaalsContact N-O 3.08Å; K7-D134 PolarHBondContact O-N 3.47Å
8V93.7Very high89.3Confident0 Ų044.1 Ų44.10%021%0.214CC..EExtended strand (participates in β ladder)trans-130.6152.9179.4-63.70000110.8P5 I10 T63 L64 L66 I73 V95 W131 A132P5-V8 HydrophobicContact CB-CG1 3.79Å; V8-I10 HydrophobicContact CG2-CD1 4.33Å; V8-I10 HydrophobicContact CG2-CG1 4.29Å; V8-T63 CarbonylContact O-C 3.5Å; V8-T63 WeakPolarHBondContact O-CA 3.38Å; V8-T63 WeakPolarHBondContact O-CG2 3.44Å; V8-L64 HydrophobicContact CG2-CB 3.89Å; V8-L64 HydrophobicContact CG2-CD1 4.48Å; V8-L64 PolarHBondContact N-O 2.88Å; V8-L64 PolarHBondContact O-N 2.94Å; V8-L66 HydrophobicContact CG1-CD1 4.07Å; V8-L66 HydrophobicContact CG2-CD2 4.16Å; V8-L66 HydrophobicContact CG2-CG 4.45Å; V8-I73 HydrophobicContact CG1-CD1 4.18Å; V8-I73 HydrophobicContact CG2-CD1 3.84Å; V8-V95 HydrophobicContact CG1-CG1 4.08Å; V8-W131 CarbonylContact C-O 3.41Å; V8-W131 VanDerWaalsContact CA-O 3.29Å; V8-W131 WeakPolarHBondContact CA-O 3.46Å; V8-W131 WeakPolarHBondContact CB-O 3.47Å; V8-A132 HydrophobicContact CG1-CB 4.45Å
9N93.2Very high89Confident10 Ų1047 Ų475%0.05323%0.227CC..EExtended strand (participates in β ladder)trans-108.2144.3164.5-13521.4000110.2E61 T63 I130 W131 I133N9-E61 PolarHBondContact ND2-OE1 3.23Å; N9-T63 WeakPolarHBondContact OD1-CA 3.29Å; N9-T63 WeakPolarHBondContact OD1-CB 3.44Å; N9-T63 PolarHBondContact OD1-N 2.94Å; N9-T63 PolarHBondContact OD1-OG1 3.02Å; N9-I130 WeakPolarHBondContact O-CA 3.2Å; N9-W131 HydrophobicContact CB-CD2 3.93Å; N9-W131 HydrophobicContact CB-CE3 4.21Å; N9-W131 HydrophobicContact CB-CH2 3.89Å; N9-W131 HydrophobicContact CB-CZ2 3.59Å; N9-W131 HydrophobicContact CB-CZ3 4.17Å; N9-W131 PolarHBondContact N-O 3.12Å; N9-W131 WeakPolarHBondContact ND2-CH2 3.26Å; N9-W131 WeakPolarHBondContact ND2-CZ2 3.41Å; N9-W131 PolarHBondContact O-N 3.06Å; N9-W131 VanDerWaalsContact O-N 3.13Å; N9-I133 HydrophobicContact CB-CD1 3.79Å; N9-I133 HydrophobicContact CB-CG1 4.31Å
10I93.6Very high88.4Confident0 Ų045.9 Ų45.90%022%0.22CC..EExtended strand (participates in β ladder)trans-137.4121.3179.9-46.1-177.2000108.9V8 V12 F37 E61 V62 L64 I73 L75 W129 I130V8-I10 HydrophobicContact CG2-CD1 4.33Å; V8-I10 HydrophobicContact CG2-CG1 4.29Å; I10-V12 HydrophobicContact CG2-CG2 4.02Å; I10-F37 HydrophobicContact CB-CE1 4.25Å; I10-F37 HydrophobicContact CD1-CD1 4.32Å; I10-F37 HydrophobicContact CG2-CE1 4.14Å; I10-E61 CarbonylContact O-C 3.57Å; I10-E61 WeakPolarHBondContact O-CA 3.5Å; I10-V62 PolarHBondContact N-O 3.16Å; I10-V62 PolarHBondContact O-N 3.04Å; I10-L64 HydrophobicContact CD1-CD1 3.69Å; I10-I73 HydrophobicContact CD1-CG2 3.74Å; I10-L75 HydrophobicContact CD1-CD2 4.16Å; I10-L75 HydrophobicContact CG2-CD1 4.37Å; I10-L75 HydrophobicContact CG2-CD2 4.45Å; I10-W129 CarbonylContact C-O 3.55Å; I10-W129 WeakPolarHBondContact CA-O 3.46Å; I10-I130 HydrophobicContact CD1-CD1 3.92Å; I10-I130 HydrophobicContact CG1-CD1 3.9Å; I10-I130 HydrophobicContact CG1-CG1 4.03Å
11I93.1Very high87.5Confident7 Ų745.6 Ų45.64%0.03622%0.221CC..EExtended strand (participates in β ladder)trans-101.7118.4166.9-64.2179.6000107.8C60 E61 F103 Y128 W129 W131I11-C60 CarbonylContact C-O 3.54Å; I11-C60 WeakPolarHBondContact CA-O 3.45Å; I11-E61 HydrophobicContact CD1-CG 4.33Å; I11-E61 HydrophobicContact CG1-CB 3.95Å; I11-E61 HydrophobicContact CG1-CG 3.75Å; I11-F103 HydrophobicContact CD1-CD2 4.16Å; I11-F103 HydrophobicContact CG2-CE2 4.42Å; I11-Y128 CarbonylContact O-C 3.57Å; I11-Y128 WeakPolarHBondContact O-CA 3.45Å; I11-Y128 VanDerWaalsContact O-CB 3.3Å; I11-Y128 WeakPolarHBondContact O-CB 3.39Å; I11-W129 HydrophobicContact CD1-CE3 4.05Å; I11-W129 HydrophobicContact CD1-CZ3 4.24Å; I11-W129 PolarHBondContact N-O 3.16Å; I11-W129 PolarHBondContact O-N 3.23Å; I11-W131 HydrophobicContact CD1-CH2 3.99Å; I11-W131 HydrophobicContact CD1-CZ3 4.26Å; I11-W131 HydrophobicContact CG1-CH2 4.19Å; I11-W131 HydrophobicContact CG1-CZ3 4.21Å
12V94.9Very high87.8Confident0 Ų037.9 Ų37.90%019%0.187CC..EExtended strand (participates in β ladder)trans-101.4107.9173.3179.40000108.6I10 V35 F37 W58 D59 C60 L75 L126I10-V12 HydrophobicContact CG2-CG2 4.02Å; V12-V35 HydrophobicContact CG1-CG2 4.12Å; V12-F37 HydrophobicContact CB-CZ 4.31Å; V12-F37 HydrophobicContact CG2-CE1 3.62Å; V12-F37 HydrophobicContact CG2-CZ 3.62Å; V12-W58 HydrophobicContact CG1-CE3 3.93Å; V12-W58 HydrophobicContact CG1-CZ3 4.41Å; V12-D59 PolarHBondContact O-N 3.41Å; V12-C60 PolarHBondContact N-O 3.37Å; V12-C60 PolarHBondContact O-N 2.63Å; V12-C60 VanDerWaalsContact O-N 3.08Å; V12-L75 HydrophobicContact CG2-CD1 4.25Å; V12-L126 HydrophobicContact CG1-CD1 3.8Å; V12-L126 HydrophobicContact CG1-CD2 4.34Å; V12-L126 HydrophobicContact CG1-CG 4.19Å
13Q93.1Very high87.1Confident22 Ų2237 Ų3710%0.10319%0.193CC..EExtended strand (participates in β ladder)trans-79.6-61.2-173.3-164.1-176.933.200111W58 D59 V127Q13-W58 PolarHBondContact O-N 3.49Å; Q13-D59 VanDerWaalsContact CG-OD1 3.29Å; Q13-D59 WeakPolarHBondContact CG-OD1 3.42Å; Q13-D59 PolarHBondContact O-N 2.69Å; Q13-D59 VanDerWaalsContact O-N 3.14Å; Q13-V127 PolarHBondContact N-O 3.43Å
14R95.2Very high85.6Confident58 Ų5839 Ų3922%0.21920%0.203CC..EExtended strand (participates in β ladder)trans-153.8160-175.366.3175.9-179.7-73.9-10114.1E16 P56 I57 V127R14-E16 HydrophobicContact CG-CG 4.39Å; R14-E16 IonicContact CZ-OE1 2.68Å; R14-E16 IonicContact NE-OE1 3Å; R14-E16 PolarHBondContact NE-OE1 2.86Å; R14-E16 IonicContact NH2-OE1 3.19Å; R14-E16 PolarHBondContact NH2-OE1 3.21Å; R14-P56 CarbonylContact C-O 3.54Å; R14-P56 WeakPolarHBondContact CA-O 3.32Å; R14-P56 WeakPolarHBondContact CB-O 3.29Å; R14-I57 HydrophobicContact CB-CG1 4.21Å; R14-V127 HydrophobicContact CG-CB 3.98Å; R14-V127 HydrophobicContact CG-CG2 4.1Å; R14-V127 PolarHBondContact N-O 3.49Å; R14-V127 PolarHBondContact O-N 2.67Å
15G95Very high83.8Confident0 Ų048.2 Ų48.20%024%0.242CC..EExtended strand (participates in β ladder)trans-90.4153.7158.800000111.2R55 P56 W58 R125G15-R55 WeakPolarHBondContact O-CA 3.33Å; G15-P56 PolarHBondContact N-O 3.1Å; G15-W58 VanDerWaalsContact N-CZ3 3.34Å; G15-R125 CarbonylContact C-O 3.58Å; G15-R125 WeakPolarHBondContact CA-O 3.33Å
16E94Very high81.9Confident41 Ų4157.1 Ų57.119%0.19228%0.28CS..EExtended strand (participates in β ladder)trans-129.9120.4174.8-66.8-178.3163.200110.4R14 L18 G124 R125 V127R14-E16 HydrophobicContact CG-CG 4.39Å; R14-E16 IonicContact CZ-OE1 2.68Å; R14-E16 IonicContact NE-OE1 3Å; R14-E16 PolarHBondContact NE-OE1 2.86Å; R14-E16 IonicContact NH2-OE1 3.19Å; R14-E16 PolarHBondContact NH2-OE1 3.21Å; E16-L18 PolarHBondContact O-N 2.85Å; E16-G124 CarbonylContact O-C 3.57Å; E16-G124 WeakPolarHBondContact O-CA 3.45Å; E16-R125 HydrophobicContact CB-CB 4.26Å; E16-R125 PolarHBondContact N-O 3.2Å; E16-R125 PolarHBondContact O-N 2.97Å; E16-R125 WeakPolarHBondContact OE2-CD 3.36Å; E16-V127 HydrophobicContact CG-CG2 4.03Å
17N90.9Very high79.9Confident91 Ų9155.9 Ų55.949%0.48728%0.283SS..SBendtrans57.743.3174.7-45.5-43.5000114G54 R55 G124N17-G54 PolarHBondContact N-O 2.78Å; N17-G54 VanDerWaalsContact N-O 3.15Å; N17-R55 PolarHBondContact OD1-NE 2.9Å; N17-R55 PolarHBondContact OD1-NH2 2.89Å; N17-G124 VanDerWaalsContact O-CA 3.26Å; N17-G124 WeakPolarHBondContact O-CA 3.35Å; N17-G124 PolarHBondContact O-N 3.47Å
18L90.1Very high77.9Confident8 Ų858.7 Ų58.74%0.04231%0.31CS..  trans-68.5134176.8-56-178.9000111.8E16 W33 G54 P56 W58 V77 L113E16-L18 PolarHBondContact O-N 2.85Å; L18-W33 HydrophobicContact CB-CD2 4.36Å; L18-W33 HydrophobicContact CB-CE3 3.97Å; L18-W33 HydrophobicContact CB-CH2 3.59Å; L18-W33 HydrophobicContact CB-CZ2 4.05Å; L18-W33 HydrophobicContact CB-CZ3 3.57Å; L18-W33 HydrophobicContact CD1-CB 4.45Å; L18-W33 HydrophobicContact CD1-CD2 3.86Å; L18-W33 HydrophobicContact CD1-CE3 3.77Å; L18-W33 HydrophobicContact CD1-CG 4.19Å; L18-W33 HydrophobicContact CD1-CZ3 4.25Å; L18-W33 WeakPolarHBondContact O-CH2 3.33Å; L18-G54 WeakPolarHBondContact CG-O 3.44Å; L18-G54 PolarHBondContact N-O 3.48Å; L18-P56 HydrophobicContact CD1-CG 3.58Å; L18-W58 HydrophobicContact CD1-CH2 4.12Å; L18-V77 HydrophobicContact CD1-CG1 4.03Å; L18-L113 HydrophobicContact CD2-CD1 3.59Å
19E83.2Confident76.1Confident99 Ų9967.2 Ų67.246%0.46335%0.347SS..  trans-92.5132.6175.3-172.4172.9-164.600112H123E19-H123 HydrophobicContact CB-CB 4.04Å; E19-H123 IonicContact OE2-CD2 3.88Å; E19-H123 PolarHBondContact OE2-CD2 3.02Å; E19-H123 VanDerWaalsContact OE2-CD2 3.24Å; E19-H123 IonicContact OE2-CG 2.71Å
20Y77.3Confident74.6Confident25 Ų2568.9 Ų68.910%0.09836%0.359CS..  trans-92.2112.7-177170.5-132.9000110.8S22 A27 R31 D79 D81Y20-S22 PolarHBondContact O-N 2.85Å; Y20-A27 HydrophobicContact CE1-CB 4.18Å; Y20-R31 HydrophobicContact CD1-CG 3.74Å; Y20-R31 HydrophobicContact CE1-CG 4.3Å; Y20-R31 HydrophobicContact CG-CG 4.12Å; Y20-D79 HydrophobicContact CD2-CB 3.87Å; Y20-D79 WeakPolarHBondContact CD2-OD2 3.35Å; Y20-D79 HydrophobicContact CE2-CB 4.07Å; Y20-D79 WeakPolarHBondContact CE2-OD2 3.4Å; Y20-D81 PolarHBondContact OH-OD2 2.77Å
21T70.2Confident74.1Confident39 Ų3974.2 Ų74.224%0.23938%0.38CS..  trans-78.548.5-171.247.70000114.7S23 D79 H83 I85T21-S23 PolarHBondContact O-N 3.32Å; T21-D79 PolarHBondContact OG1-OD2 3.34Å; T21-D79 VanDerWaalsContact OG1-OD2 3.09Å; T21-H83 VanDerWaalsContact OG1-CB 3.23Å; T21-H83 WeakPolarHBondContact OG1-CB 3.33Å; T21-I85 HydrophobicContact CG2-CD1 3.84Å; T21-I85 WeakPolarHBondContact OG1-CD1 3.43Å
22S62.2Low74Confident37 Ų3778 Ų7826%0.25939%0.394SS..  trans-75109.9177.4-178.10000112.7Y20 L24 A27Y20-S22 PolarHBondContact O-N 2.85Å; S22-L24 VanDerWaalsContact C-N 3.28Å; S22-L24 PolarHBondContact O-N 2.95Å; S22-L24 PolarHBondContact OG-N 3.47Å; S22-L24 PolarHBondContact OG-O 2.93Å; S22-A27 WeakPolarHBondContact OG-CB 3.42Å
23S54.7Low73.9Confident102 Ų10278 Ų7871%0.71339%0.394SS*.  trans-76.8-7.8173.754.80000114.3T21T21-S23 PolarHBondContact O-N 3.32Å
24L52.7Low74Confident120 Ų12080.4 Ų80.463%0.62840%0.402SS*.SBendtrans-107.8135.9-177.6-104.563000113.1S22 K26 A27S22-L24 VanDerWaalsContact C-N 3.28Å; S22-L24 PolarHBondContact O-N 2.95Å; S22-L24 PolarHBondContact OG-N 3.47Å; S22-L24 PolarHBondContact OG-O 2.93Å; L24-K26 PolarHBondContact O-N 2.9Å; L24-A27 PolarHBondContact O-N 2.9Å
25K52.2Low74.1Confident219 Ų21977.7 Ų77.795%0.95239%0.391SS*.THydrogen-bonded Turntrans-69.726.6175.6-60.7-176.4178.1-179.90114.6
26K52.4Low74.1Confident191 Ų19178.7 Ų78.783%0.8340%0.398SS*.THydrogen-bonded Turntrans-13525.9176.5-66.3-171.8177.2-178.50111.9L24 S28L24-K26 PolarHBondContact O-N 2.9Å; K26-S28 PolarHBondContact O-N 3.45Å
27A52.3Low74.2Confident46 Ų4676.8 Ų76.838%0.3839%0.389SS..  trans-58.417.9-172.600000118Y20 S22 L24 K29Y20-A27 HydrophobicContact CE1-CB 4.18Å; S22-A27 WeakPolarHBondContact OG-CB 3.42Å; L24-A27 PolarHBondContact O-N 2.9Å; A27-K29 PolarHBondContact O-N 3.4Å
28S51.3Low74.4Confident117 Ų11774.7 Ų74.782%0.81838%0.377SS*.  trans-95.832.6-167-167.70000113.7K26K26-S28 PolarHBondContact O-N 3.45Å
29K57.3Low74.3Confident180 Ų18075.4 Ų75.478%0.78339%0.387SS*.SBendtrans-136.9105.4-179.2-76.7-168170.3-171.40111.6A27A27-K29 PolarHBondContact O-N 3.4Å
30S61.7Low74.6Confident44 Ų4471.2 Ų71.231%0.30837%0.37SS..  trans54.689.9176.2-790000115.7R32 D50S30-R32 PolarHBondContact O-N 3.34Å; S30-D50 WeakPolarHBondContact CA-OD1 3.24Å; S30-D50 WeakPolarHBondContact CB-OD1 3.32Å; S30-D50 PolarHBondContact OG-OD1 3.13Å
31R82.5Confident74.9Confident112 Ų11277.6 Ų77.642%0.42340%0.4SS..  trans-69.972.3155.3-75.7-178.6168.2-153.8-7.5109Y20 W33 A51 E52Y20-R31 HydrophobicContact CD1-CG 3.74Å; Y20-R31 HydrophobicContact CE1-CG 4.3Å; Y20-R31 HydrophobicContact CG-CG 4.12Å; R31-W33 HydrophobicContact CB-CZ2 4.46Å; R31-W33 PolarHBondContact O-NE1 2.96Å; R31-A51 CarbonylContact O-C 3.49Å; R31-A51 PolarHBondContact O-N 3.36Å; R31-E52 WeakPolarHBondContact CD-O 3.38Å; R31-E52 PolarHBondContact NH1-O 2.98Å
32R90.9Very high75.8Confident88 Ų8880.2 Ų80.233%0.33242%0.416SS..EExtended strand (participates in β ladder)trans-107.6149.6179.265-167.7164.5-168.2-0.2111.7S30 Y48 V49 D50 D79 G80S30-R32 PolarHBondContact O-N 3.34Å; R32-Y48 HydrophobicContact CB-CD1 4.42Å; R32-Y48 HydrophobicContact CG-CD1 3.98Å; R32-Y48 HydrophobicContact CG-CG 4.4Å; R32-V49 CarbonylContact C-O 3.47Å; R32-V49 WeakPolarHBondContact CA-O 3.3Å; R32-D50 HydrophobicContact CB-CB 4.37Å; R32-D79 CarbonylContact O-C 3.53Å; R32-D79 WeakPolarHBondContact O-CA 3.19Å; R32-G80 PolarHBondContact NH2-O 3.35Å; R32-G80 VanDerWaalsContact NH2-O 3.11Å; R32-G80 PolarHBondContact O-N 3.1Å
33W93.3Very high77.1Confident0 Ų086.3 Ų86.30%044%0.438CS..EExtended strand (participates in β ladder)trans-137.3145.3-165.6-44.789.9000111.1L18 R31 Y48 V49 A51 P56 W58 I78 I85L18-W33 HydrophobicContact CB-CD2 4.36Å; L18-W33 HydrophobicContact CB-CE3 3.97Å; L18-W33 HydrophobicContact CB-CH2 3.59Å; L18-W33 HydrophobicContact CB-CZ2 4.05Å; L18-W33 HydrophobicContact CB-CZ3 3.57Å; L18-W33 HydrophobicContact CD1-CB 4.45Å; L18-W33 HydrophobicContact CD1-CD2 3.86Å; L18-W33 HydrophobicContact CD1-CE3 3.77Å; L18-W33 HydrophobicContact CD1-CG 4.19Å; L18-W33 HydrophobicContact CD1-CZ3 4.25Å; L18-W33 WeakPolarHBondContact O-CH2 3.33Å; R31-W33 HydrophobicContact CB-CZ2 4.46Å; R31-W33 PolarHBondContact O-NE1 2.96Å; W33-Y48 WeakPolarHBondContact O-CA 3.48Å; W33-V49 PolarHBondContact N-O 2.92Å; W33-V49 PolarHBondContact O-N 2.88Å; W33-A51 PolarHBondContact NE1-O 3.39Å; W33-P56 HydrophobicContact CB-CB 4.02Å; W33-P56 HydrophobicContact CB-CG 3.73Å; W33-P56 HydrophobicContact CG-CB 4.12Å; W33-P56 HydrophobicContact CG-CG 3.73Å; W33-W58 HydrophobicContact CB-CH2 4.27Å; W33-W58 HydrophobicContact CB-CZ2 3.58Å; W33-W58 PolarHBondContact O-NE1 2.68Å; W33-W58 VanDerWaalsContact O-NE1 3.08Å; W33-I78 WeakPolarHBondContact CA-O 3.18Å; W33-I85 HydrophobicContact CE3-CG1 4.19Å; W33-I85 HydrophobicContact CZ3-CD1 4.28Å; W33-I85 HydrophobicContact CZ3-CG1 3.94Å; W33-I85 HydrophobicContact CZ3-CG2 4.23Å
34R95Very high79Confident72 Ų7284.6 Ų84.627%0.27242%0.421SS..EExtended strand (participates in β ladder)trans-139.1143.8178.8171.2172.3-72.1-158.9-6.3110.5V36 A45 S46 E47 Y48 V77 I78R34-V36 HydrophobicContact CG-CG2 4.22Å; R34-A45 HydrophobicContact CG-CB 4.43Å; R34-S46 WeakPolarHBondContact CD-O 3.5Å; R34-S46 WeakPolarHBondContact CG-O 3.42Å; R34-S46 VanDerWaalsContact CZ-O 3.22Å; R34-S46 PolarHBondContact NE-O 3.06Å; R34-S46 PolarHBondContact NH2-O 3.12Å; R34-E47 WeakPolarHBondContact CB-O 3.39Å; R34-E47 PolarHBondContact NE-O 3.14Å; R34-Y48 HydrophobicContact CB-CD1 3.65Å; R34-Y48 HydrophobicContact CB-CE1 3.51Å; R34-Y48 HydrophobicContact CB-CG 4.34Å; R34-Y48 VanDerWaalsContact CZ-CD2 3.49Å; R34-Y48 VanDerWaalsContact CZ-CE2 3.46Å; R34-Y48 VanDerWaalsContact NH2-CD2 3.34Å; R34-V77 WeakPolarHBondContact O-CA 3.43Å; R34-I78 PolarHBondContact N-O 3.19Å; R34-I78 PolarHBondContact O-N 2.79Å
35V96.1Very high81.1Confident0 Ų081.3 Ų81.30%041%0.41CS..EExtended strand (participates in β ladder)trans-104.8130.3167.7-174.40000108.9V12 F37 A45 S46 W58 L75 L76 V77 L126V12-V35 HydrophobicContact CG1-CG2 4.12Å; V35-F37 HydrophobicContact CB-CE2 4.41Å; V35-F37 HydrophobicContact CG1-CE2 4.29Å; V35-F37 HydrophobicContact CG1-CZ 4.37Å; V35-A45 WeakPolarHBondContact O-CA 3.29Å; V35-S46 PolarHBondContact N-OG 2.8Å; V35-S46 PolarHBondContact O-N 3.47Å; V35-S46 PolarHBondContact O-OG 3.45Å; V35-W58 HydrophobicContact CG2-CD2 4.03Å; V35-W58 HydrophobicContact CG2-CE3 3.87Å; V35-W58 HydrophobicContact CG2-CH2 3.45Å; V35-W58 VanDerWaalsContact CG2-CH2 3.45Å; V35-W58 HydrophobicContact CG2-CZ2 3.64Å; V35-W58 HydrophobicContact CG2-CZ3 3.58Å; V35-L75 HydrophobicContact CG1-CB 4.12Å; V35-L76 CarbonylContact C-O 3.6Å; V35-L76 WeakPolarHBondContact CA-O 3.4Å; V35-V77 HydrophobicContact CG2-CG2 4.37Å; V35-L126 HydrophobicContact CG1-CD2 4.49Å; V35-L126 HydrophobicContact CG2-CD1 4.1Å
36V95.9Very high83.1Confident22 Ų2271.4 Ų71.413%0.13337%0.369CS..EExtended strand (participates in β ladder)trans-109.7130.5174.6-179.20000108.6R34 L38 A45 L76 I78R34-V36 HydrophobicContact CG-CG2 4.22Å; V36-L38 HydrophobicContact CG1-CD2 3.98Å; V36-L38 HydrophobicContact CG1-CG 4.4Å; V36-A45 HydrophobicContact CG2-CB 4.02Å; V36-L76 HydrophobicContact CB-CB 4.42Å; V36-L76 PolarHBondContact N-O 3.33Å; V36-L76 PolarHBondContact O-N 2.98Å; V36-I78 HydrophobicContact CB-CD1 4.33Å; V36-I78 HydrophobicContact CG2-CD1 3.53Å; V36-I78 HydrophobicContact CG2-CG1 4.24Å
37F96.4Very high85.1Confident0 Ų068.4 Ų68.40%036%0.358CS..EExtended strand (participates in β ladder)trans-98.3125.1-175.2-61.1-102.8000109.2I10 V12 V35 L44 V62 L64 L75I10-F37 HydrophobicContact CB-CE1 4.25Å; I10-F37 HydrophobicContact CD1-CD1 4.32Å; I10-F37 HydrophobicContact CG2-CE1 4.14Å; V12-F37 HydrophobicContact CB-CZ 4.31Å; V12-F37 HydrophobicContact CG2-CE1 3.62Å; V12-F37 HydrophobicContact CG2-CZ 3.62Å; V35-F37 HydrophobicContact CB-CE2 4.41Å; V35-F37 HydrophobicContact CG1-CE2 4.29Å; V35-F37 HydrophobicContact CG1-CZ 4.37Å; F37-L44 HydrophobicContact CB-CB 4.39Å; F37-L44 PolarHBondContact N-O 3.13Å; F37-V62 HydrophobicContact CD1-CB 4.1Å; F37-V62 HydrophobicContact CD1-CG1 4.09Å; F37-V62 HydrophobicContact CD1-CG2 4.41Å; F37-V62 HydrophobicContact CD2-CG1 4.39Å; F37-V62 HydrophobicContact CD2-CG2 4.14Å; F37-V62 HydrophobicContact CE1-CB 3.87Å; F37-V62 HydrophobicContact CE1-CG1 4.38Å; F37-V62 HydrophobicContact CE1-CG2 3.96Å; F37-V62 HydrophobicContact CE2-CB 4.4Å; F37-V62 HydrophobicContact CE2-CG2 3.68Å; F37-V62 HydrophobicContact CG-CB 4.45Å; F37-V62 HydrophobicContact CG-CG1 4.11Å; F37-V62 HydrophobicContact CG-CG2 4.5Å; F37-V62 HydrophobicContact CZ-CB 4.04Å; F37-V62 HydrophobicContact CZ-CG2 3.57Å; F37-L64 HydrophobicContact CB-CD1 4.2Å; F37-L64 HydrophobicContact CB-CD2 4.11Å; F37-L75 HydrophobicContact CD1-CD2 3.44Å; F37-L75 VanDerWaalsContact CD1-CD2 3.44Å; F37-L75 HydrophobicContact CE1-CD2 3.78Å; F37-L75 HydrophobicContact CG-CD2 4.26Å
38L94.3Very high87.1Confident48 Ų4869.3 Ų69.325%0.25135%0.352SS..EExtended strand (participates in β ladder)trans-130.6144-176.9-52.1171000110.2V36 K43 T74 L76V36-L38 HydrophobicContact CG1-CD2 3.98Å; V36-L38 HydrophobicContact CG1-CG 4.4Å; L38-K43 HydrophobicContact CD2-CD 4.2Å; L38-K43 HydrophobicContact CD2-CG 3.99Å; L38-T74 HydrophobicContact CD1-CG2 4.35Å; L38-T74 PolarHBondContact N-O 3.37Å; L38-T74 PolarHBondContact O-N 3.01Å; L38-L76 HydrophobicContact CD1-CB 4.3Å; L38-L76 HydrophobicContact CD1-CD2 4.35Å
39G89.3Confident89.1Confident23 Ų2365.1 Ų65.124%0.23732%0.321CS..SBendtrans121.7-22.6-175.900000112.7L66 I67G39-L66 WeakPolarHBondContact O-CA 3.27Å; G39-I67 PolarHBondContact O-N 3.35Å
40G88.1Confident90.8Very high10 Ų1061.1 Ų61.110%0.10331%0.309CS..BIsolated β-bridgetrans-85.6169.1168.100000113.9D65G40-D65 CarbonylContact C-O 3.15Å; G40-D65 WeakPolarHBondContact CA-O 3.46Å
41E85.1Confident92.1Very high159 Ų15959.7 Ų59.774%0.74330%0.299SS*.SBendtrans-60.8-47.4178-177.5176.7-167.700111.9D65 I67E41-D65 PolarHBondContact N-O 3.41Å; E41-D65 VanDerWaalsContact N-O 3.08Å; E41-I67 VanDerWaalsContact CA-CG2 3.45Å; E41-I67 HydrophobicContact CB-CG2 3.79Å; E41-I67 HydrophobicContact CG-CG2 4.47Å
42V87.9Confident92.3Very high94 Ų9462 Ų6257%0.5732%0.315SS*.SBendtrans-94.9134.5174.7-174.30000109.7L44V42-L44 HydrophobicContact CB-CD2 4.32Å; V42-L44 HydrophobicContact CG1-CD2 3.76Å; V42-L44 HydrophobicContact CG1-CG 4.43Å; V42-L44 PolarHBondContact O-N 3.17Å
43K90Very high92.1Very high165 Ų16562.2 Ų62.272%0.71732%0.323SS*.  trans-77.2100.4170.4-66.5176.5-174.5162.90109.4L38L38-K43 HydrophobicContact CD2-CD 4.2Å; L38-K43 HydrophobicContact CD2-CG 3.99Å
44L94.4Very high91.9Very high67 Ų6762.2 Ų62.235%0.35132%0.323SS..EExtended strand (participates in β ladder)trans-88.1156.7175.2-59.1-178.9000110.6F37 V42 V62 L64F37-L44 HydrophobicContact CB-CB 4.39Å; F37-L44 PolarHBondContact N-O 3.13Å; V42-L44 HydrophobicContact CB-CD2 4.32Å; V42-L44 HydrophobicContact CG1-CD2 3.76Å; V42-L44 HydrophobicContact CG1-CG 4.43Å; V42-L44 PolarHBondContact O-N 3.17Å; L44-V62 HydrophobicContact CB-CG1 3.94Å; L44-V62 HydrophobicContact CD1-CG1 3.55Å; L44-V62 HydrophobicContact CG-CG1 4.38Å; L44-L64 HydrophobicContact CD1-CD2 4.02Å; L44-L64 HydrophobicContact CG-CD2 4.39Å
45A95.8Very high91.7Very high50 Ų5065 Ų6541%0.41333%0.333SS..EExtended strand (participates in β ladder)trans-150.6146.3179.300000110.5R34 V35 V36R34-A45 HydrophobicContact CG-CB 4.43Å; V35-A45 WeakPolarHBondContact O-CA 3.29Å; V36-A45 HydrophobicContact CG2-CB 4.02Å
46S95.9Very high91.7Very high12 Ų1265 Ų658%0.08433%0.333CS..  trans-69.7173.1167.264.10000111.2R34 V35 W58R34-S46 WeakPolarHBondContact CD-O 3.5Å; R34-S46 WeakPolarHBondContact CG-O 3.42Å; R34-S46 VanDerWaalsContact CZ-O 3.22Å; R34-S46 PolarHBondContact NE-O 3.06Å; R34-S46 PolarHBondContact NH2-O 3.12Å; V35-S46 PolarHBondContact N-OG 2.8Å; V35-S46 PolarHBondContact O-N 3.47Å; V35-S46 PolarHBondContact O-OG 3.45Å; S46-W58 PolarHBondContact OG-NE1 3Å
47E93.7Very high91.6Very high128 Ų12869 Ų6960%0.59835%0.353SS*.  trans-70.3-171.7170.665.7-173158.400112.4R34 V49R34-E47 WeakPolarHBondContact CB-O 3.39Å; R34-E47 PolarHBondContact NE-O 3.14Å; E47-V49 HydrophobicContact CG-CG2 4.27Å
48Y94.2Very high91.6Very high65 Ų6569.9 Ų69.926%0.25536%0.356SS..PPolyproline II helixtrans-101.8117.4170.9-86.7-67.9000109R32 W33 R34 D79 N82R32-Y48 HydrophobicContact CB-CD1 4.42Å; R32-Y48 HydrophobicContact CG-CD1 3.98Å; R32-Y48 HydrophobicContact CG-CG 4.4Å; W33-Y48 WeakPolarHBondContact O-CA 3.48Å; R34-Y48 HydrophobicContact CB-CD1 3.65Å; R34-Y48 HydrophobicContact CB-CE1 3.51Å; R34-Y48 HydrophobicContact CB-CG 4.34Å; R34-Y48 VanDerWaalsContact CZ-CD2 3.49Å; R34-Y48 VanDerWaalsContact CZ-CE2 3.46Å; R34-Y48 VanDerWaalsContact NH2-CD2 3.34Å; Y48-D79 WeakPolarHBondContact CE1-O 3.41Å; Y48-D79 PolarHBondContact OH-O 3.45Å; Y48-N82 PolarHBondContact OH-OD1 2.81Å
49V94Very high91.5Very high29 Ų2969.6 Ų69.618%0.17636%0.355CS..EExtended strand (participates in β ladder)trans-103.9118177.9174.70000109R32 W33 E47 P56 W58R32-V49 CarbonylContact C-O 3.47Å; R32-V49 WeakPolarHBondContact CA-O 3.3Å; W33-V49 PolarHBondContact N-O 2.92Å; W33-V49 PolarHBondContact O-N 2.88Å; E47-V49 HydrophobicContact CG-CG2 4.27Å; V49-P56 HydrophobicContact CB-CB 4.11Å; V49-P56 HydrophobicContact CG1-CB 3.91Å; V49-W58 VanDerWaalsContact CG2-CD1 3.42Å; V49-W58 HydrophobicContact CG2-CG 4.29Å
50D91.5Very high91.7Very high96 Ų9669.8 Ų69.851%0.51335%0.352SS..EExtended strand (participates in β ladder)trans-71.2120.8170.7-81.3-85000110.3S30 R32S30-D50 WeakPolarHBondContact CA-OD1 3.24Å; S30-D50 WeakPolarHBondContact CB-OD1 3.32Å; S30-D50 PolarHBondContact OG-OD1 3.13Å; R32-D50 HydrophobicContact CB-CB 4.37Å
51A90Very high92Very high14 Ų1475 Ų7512%0.11637%0.374CS..  trans-147.1103.1175.500000110.3R31 W33 D53 G54 P56R31-A51 CarbonylContact O-C 3.49Å; R31-A51 PolarHBondContact O-N 3.36Å; W33-A51 PolarHBondContact NE1-O 3.39Å; A51-D53 VanDerWaalsContact C-N 3.31Å; A51-D53 PolarHBondContact O-N 3.24Å; A51-G54 PolarHBondContact O-N 3.4Å; A51-P56 HydrophobicContact CB-CB 4Å
52E85.7Confident92.4Very high159 Ų15968.2 Ų68.274%0.74334%0.343SS*.THydrogen-bonded Turntrans-69-26.4-173.3-63.7-161.3152.300114.1R31 G54R31-E52 WeakPolarHBondContact CD-O 3.38Å; R31-E52 PolarHBondContact NH1-O 2.98Å; E52-G54 VanDerWaalsContact C-N 3.3Å
53D86.8Confident92.7Very high94 Ų9466.4 Ų66.450%0.50333%0.333SS..THydrogen-bonded Turntrans-82.1-4.8178.876.4-27.7000113.8A51 R55A51-D53 VanDerWaalsContact C-N 3.31Å; A51-D53 PolarHBondContact O-N 3.24Å; D53-R55 WeakPolarHBondContact OD1-CB 3.4Å; D53-R55 PolarHBondContact OD1-N 2.97Å; D53-R55 WeakPolarHBondContact OD2-CB 3.14Å; D53-R55 VanDerWaalsContact OD2-CD 3.29Å; D53-R55 WeakPolarHBondContact OD2-CD 3.39Å; D53-R55 VanDerWaalsContact OD2-CG 3.32Å; D53-R55 WeakPolarHBondContact OD2-CG 3.39Å
54G88.8Confident92.9Very high0 Ų058.7 Ų58.70%030%0.299CS..SBendtrans77.924.2-175.100000114.1N17 L18 A51 E52 P56N17-G54 PolarHBondContact N-O 2.78Å; N17-G54 VanDerWaalsContact N-O 3.15Å; L18-G54 WeakPolarHBondContact CG-O 3.44Å; L18-G54 PolarHBondContact N-O 3.48Å; A51-G54 PolarHBondContact O-N 3.4Å; E52-G54 VanDerWaalsContact C-N 3.3Å; G54-P56 WeakPolarHBondContact O-CD 3.32Å
55R92.7Very high92.9Very high130 Ų13058.9 Ų58.949%0.49130%0.301SS..  trans-123.459.8177.3-54.3-174.6-179.8145.6-2.1113.1G15 N17 D53 I57G15-R55 WeakPolarHBondContact O-CA 3.33Å; N17-R55 PolarHBondContact OD1-NE 2.9Å; N17-R55 PolarHBondContact OD1-NH2 2.89Å; D53-R55 WeakPolarHBondContact OD1-CB 3.4Å; D53-R55 PolarHBondContact OD1-N 2.97Å; D53-R55 WeakPolarHBondContact OD2-CB 3.14Å; D53-R55 VanDerWaalsContact OD2-CD 3.29Å; D53-R55 WeakPolarHBondContact OD2-CD 3.39Å; D53-R55 VanDerWaalsContact OD2-CG 3.32Å; D53-R55 WeakPolarHBondContact OD2-CG 3.39Å; R55-I57 PolarHBondContact O-N 3.41Å
56P94.4Very high92.8Very high1 Ų157 Ų571%0.00628%0.284CS..  trans-59.6133.5175.728.6-36.9000111R14 G15 L18 W33 V49 A51 G54 W58R14-P56 CarbonylContact C-O 3.54Å; R14-P56 WeakPolarHBondContact CA-O 3.32Å; R14-P56 WeakPolarHBondContact CB-O 3.29Å; G15-P56 PolarHBondContact N-O 3.1Å; L18-P56 HydrophobicContact CD1-CG 3.58Å; W33-P56 HydrophobicContact CB-CB 4.02Å; W33-P56 HydrophobicContact CB-CG 3.73Å; W33-P56 HydrophobicContact CG-CB 4.12Å; W33-P56 HydrophobicContact CG-CG 3.73Å; V49-P56 HydrophobicContact CB-CB 4.11Å; V49-P56 HydrophobicContact CG1-CB 3.91Å; A51-P56 HydrophobicContact CB-CB 4Å; G54-P56 WeakPolarHBondContact O-CD 3.32Å; P56-W58 HydrophobicContact CB-CD2 4.4Å; P56-W58 HydrophobicContact CB-CH2 4.16Å; P56-W58 HydrophobicContact CB-CZ2 3.94Å; P56-W58 HydrophobicContact CB-CZ3 4.46Å; P56-W58 HydrophobicContact CG-CE3 4.4Å; P56-W58 HydrophobicContact CG-CH2 3.42Å; P56-W58 VanDerWaalsContact CG-CH2 3.42Å; P56-W58 HydrophobicContact CG-CZ2 3.62Å; P56-W58 HydrophobicContact CG-CZ3 3.83Å
57I95.4Very high92.7Very high104 Ų10462.1 Ų62.153%0.53331%0.309SS..EExtended strand (participates in β ladder)trans-99.2125.6167.1-58.9172.6000106.4R14 R55 D59R14-I57 HydrophobicContact CB-CG1 4.21Å; R55-I57 PolarHBondContact O-N 3.41Å; I57-D59 HydrophobicContact CG2-CB 4.46Å
58W95.5Very high92.6Very high20 Ų2056.9 Ų56.98%0.07629%0.286CS..EExtended strand (participates in β ladder)trans-108-29.5176.3-67.8-75.3000112.5V12 Q13 G15 L18 W33 V35 S46 V49 P56 C60 V77 L126V12-W58 HydrophobicContact CG1-CE3 3.93Å; V12-W58 HydrophobicContact CG1-CZ3 4.41Å; Q13-W58 PolarHBondContact O-N 3.49Å; G15-W58 VanDerWaalsContact N-CZ3 3.34Å; L18-W58 HydrophobicContact CD1-CH2 4.12Å; W33-W58 HydrophobicContact CB-CH2 4.27Å; W33-W58 HydrophobicContact CB-CZ2 3.58Å; W33-W58 PolarHBondContact O-NE1 2.68Å; W33-W58 VanDerWaalsContact O-NE1 3.08Å; V35-W58 HydrophobicContact CG2-CD2 4.03Å; V35-W58 HydrophobicContact CG2-CE3 3.87Å; V35-W58 HydrophobicContact CG2-CH2 3.45Å; V35-W58 VanDerWaalsContact CG2-CH2 3.45Å; V35-W58 HydrophobicContact CG2-CZ2 3.64Å; V35-W58 HydrophobicContact CG2-CZ3 3.58Å; S46-W58 PolarHBondContact OG-NE1 3Å; V49-W58 VanDerWaalsContact CG2-CD1 3.42Å; V49-W58 HydrophobicContact CG2-CG 4.29Å; P56-W58 HydrophobicContact CB-CD2 4.4Å; P56-W58 HydrophobicContact CB-CH2 4.16Å; P56-W58 HydrophobicContact CB-CZ2 3.94Å; P56-W58 HydrophobicContact CB-CZ3 4.46Å; P56-W58 HydrophobicContact CG-CE3 4.4Å; P56-W58 HydrophobicContact CG-CH2 3.42Å; P56-W58 VanDerWaalsContact CG-CH2 3.42Å; P56-W58 HydrophobicContact CG-CZ2 3.62Å; P56-W58 HydrophobicContact CG-CZ3 3.83Å; W58-C60 HydrophobicContact CB-CB 4.28Å; W58-C60 PolarHBondContact O-N 3.09Å; W58-V77 HydrophobicContact CH2-CG1 4.4Å; W58-L126 HydrophobicContact CE3-CD1 4.44Å; W58-L126 HydrophobicContact CH2-CD1 4.37Å; W58-L126 HydrophobicContact CZ3-CD1 3.65Å
59D92.3Very high92.4Very high42 Ų4255.3 Ų55.323%0.22528%0.284CS..EExtended strand (participates in β ladder)trans4233.3-175.5-856.4000113.6V12 Q13 I57 S550V12-D59 PolarHBondContact O-N 3.41Å; Q13-D59 VanDerWaalsContact CG-OD1 3.29Å; Q13-D59 WeakPolarHBondContact CG-OD1 3.42Å; Q13-D59 PolarHBondContact O-N 2.69Å; Q13-D59 VanDerWaalsContact O-N 3.14Å; I57-D59 HydrophobicContact CG2-CB 4.46Å; D59-S550 VanDerWaalsContact OD2-CB 3.26Å; D59-S550 WeakPolarHBondContact OD2-CB 3.46Å; D59-S550 PolarHBondContact OD2-OG 3.01Å
60C93.4Very high92.1Very high26 Ų2655.8 Ų55.818%0.17629%0.288CS..EExtended strand (participates in β ladder)trans-102.3132.9-165.169.60000112.7I11 V12 W58I11-C60 CarbonylContact C-O 3.54Å; I11-C60 WeakPolarHBondContact CA-O 3.45Å; V12-C60 PolarHBondContact N-O 3.37Å; V12-C60 PolarHBondContact O-N 2.63Å; V12-C60 VanDerWaalsContact O-N 3.08Å; W58-C60 HydrophobicContact CB-CB 4.28Å; W58-C60 PolarHBondContact O-N 3.09Å
61E94Very high92.2Very high119 Ų11954.5 Ų54.556%0.55628%0.281SS*.EExtended strand (participates in β ladder)trans-103.5131.7179.1-171.9169.8156.900110.8N9 I10 I11N9-E61 PolarHBondContact ND2-OE1 3.23Å; I10-E61 CarbonylContact O-C 3.57Å; I10-E61 WeakPolarHBondContact O-CA 3.5Å; I11-E61 HydrophobicContact CD1-CG 4.33Å; I11-E61 HydrophobicContact CG1-CB 3.95Å; I11-E61 HydrophobicContact CG1-CG 3.75Å
62V94.1Very high92.3Very high17 Ų1756.2 Ų56.210%0.10329%0.291CS..EExtended strand (participates in β ladder)trans-140.7119.6-176.8179.70000110.4I10 F37 L44 L64I10-V62 PolarHBondContact N-O 3.16Å; I10-V62 PolarHBondContact O-N 3.04Å; F37-V62 HydrophobicContact CD1-CB 4.1Å; F37-V62 HydrophobicContact CD1-CG1 4.09Å; F37-V62 HydrophobicContact CD1-CG2 4.41Å; F37-V62 HydrophobicContact CD2-CG1 4.39Å; F37-V62 HydrophobicContact CD2-CG2 4.14Å; F37-V62 HydrophobicContact CE1-CB 3.87Å; F37-V62 HydrophobicContact CE1-CG1 4.38Å; F37-V62 HydrophobicContact CE1-CG2 3.96Å; F37-V62 HydrophobicContact CE2-CB 4.4Å; F37-V62 HydrophobicContact CE2-CG2 3.68Å; F37-V62 HydrophobicContact CG-CB 4.45Å; F37-V62 HydrophobicContact CG-CG1 4.11Å; F37-V62 HydrophobicContact CG-CG2 4.5Å; F37-V62 HydrophobicContact CZ-CB 4.04Å; F37-V62 HydrophobicContact CZ-CG2 3.57Å; L44-V62 HydrophobicContact CB-CG1 3.94Å; L44-V62 HydrophobicContact CD1-CG1 3.55Å; L44-V62 HydrophobicContact CG-CG1 4.38Å; V62-L64 HydrophobicContact CG1-CD2 3.89Å; V62-L64 HydrophobicContact CG1-CG 4.24Å
63T94.4Very high92.7Very high57 Ų5748.7 Ų48.735%0.3526%0.256SS..EExtended strand (participates in β ladder)trans-87136.5168.7-45.10000110.4K7 V8 N9 I133K7-T63 HydrophobicContact CD-CG2 4.23Å; K7-T63 HydrophobicContact CG-CG2 3.93Å; V8-T63 CarbonylContact O-C 3.5Å; V8-T63 WeakPolarHBondContact O-CA 3.38Å; V8-T63 WeakPolarHBondContact O-CG2 3.44Å; N9-T63 WeakPolarHBondContact OD1-CA 3.29Å; N9-T63 WeakPolarHBondContact OD1-CB 3.44Å; N9-T63 PolarHBondContact OD1-N 2.94Å; N9-T63 PolarHBondContact OD1-OG1 3.02Å; T63-I133 HydrophobicContact CG2-CD1 3.7Å
64L94.2Very high93.1Very high3 Ų345 Ų452%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-126.6127177.1-60174.3000111.3K7 V8 I10 F37 L44 V62 L66 I73K7-L64 WeakPolarHBondContact CA-O 3.25Å; V8-L64 HydrophobicContact CG2-CB 3.89Å; V8-L64 HydrophobicContact CG2-CD1 4.48Å; V8-L64 PolarHBondContact N-O 2.88Å; V8-L64 PolarHBondContact O-N 2.94Å; I10-L64 HydrophobicContact CD1-CD1 3.69Å; F37-L64 HydrophobicContact CB-CD1 4.2Å; F37-L64 HydrophobicContact CB-CD2 4.11Å; L44-L64 HydrophobicContact CD1-CD2 4.02Å; L44-L64 HydrophobicContact CG-CD2 4.39Å; V62-L64 HydrophobicContact CG1-CD2 3.89Å; V62-L64 HydrophobicContact CG1-CG 4.24Å; L64-L66 HydrophobicContact CB-CD2 4.19Å; L64-I73 HydrophobicContact CD1-CG2 4.2Å
65D94.3Very high93.5Very high71 Ų7145 Ų4538%0.3824%0.237SC..EExtended strand (participates in β ladder)trans-90112.2164.6-65.6-84.8000109.2K7 G40 E41K7-D65 WeakPolarHBondContact CD-OD1 3.4Å; K7-D65 WeakPolarHBondContact CG-OD1 3.4Å; K7-D65 IonicContact NZ-OD1 3.11Å; K7-D65 PolarHBondContact NZ-OD1 3.22Å; K7-D65 IonicContact NZ-OD2 2.61Å; K7-D65 PolarHBondContact NZ-OD2 3.46Å; G40-D65 CarbonylContact C-O 3.15Å; G40-D65 WeakPolarHBondContact CA-O 3.46Å; E41-D65 PolarHBondContact N-O 3.41Å; E41-D65 VanDerWaalsContact N-O 3.08Å
66L94.2Very high93.6Very high11 Ų1139.7 Ų39.76%0.05822%0.219CC..BIsolated β-bridgetrans-80.9133.1-169-56.2178.2000111.6P5 K6 V8 G39 L64 S68 I73 L92 W136P5-L66 HydrophobicContact CB-CD1 4.25Å; K6-L66 WeakPolarHBondContact O-CB 3.43Å; K6-L66 PolarHBondContact O-N 3.2Å; V8-L66 HydrophobicContact CG1-CD1 4.07Å; V8-L66 HydrophobicContact CG2-CD2 4.16Å; V8-L66 HydrophobicContact CG2-CG 4.45Å; G39-L66 WeakPolarHBondContact O-CA 3.27Å; L64-L66 HydrophobicContact CB-CD2 4.19Å; L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 2.92Å; L66-I73 HydrophobicContact CD1-CD1 4.26Å; L66-I73 HydrophobicContact CD1-CG1 4.45Å; L66-I73 HydrophobicContact CD2-CD1 4.21Å; L66-I73 HydrophobicContact CD2-CG1 3.8Å; L66-L92 HydrophobicContact CD1-CD1 4.44Å; L66-L92 HydrophobicContact CD1-CD2 3.75Å; L66-W136 WeakPolarHBondContact O-CZ2 3.47Å
67I92.5Very high93.6Very high119 Ų11939.7 Ų39.761%0.6122%0.218SC*.SBendtrans-82.2-6-177.761175.2000114.5G39 E41G39-I67 PolarHBondContact O-N 3.35Å; E41-I67 VanDerWaalsContact CA-CG2 3.45Å; E41-I67 HydrophobicContact CB-CG2 3.79Å; E41-I67 HydrophobicContact CG-CG2 4.47Å
68S91.9Very high93.4Very high18 Ų1835.8 Ų35.813%0.12620%0.198CC..  trans-149.4136.1-168.4173.80000111L66 S70 D71L66-S68 VanDerWaalsContact C-N 3.32Å; L66-S68 PolarHBondContact O-N 2.92Å; S68-S70 PolarHBondContact O-N 3.07Å; S68-S70 PolarHBondContact OG-N 3.33Å; S68-D71 WeakPolarHBondContact CB-OD2 3.5Å; S68-D71 PolarHBondContact OG-N 3.07Å; S68-D71 VanDerWaalsContact OG-N 3.16Å; S68-D71 PolarHBondContact OG-OD2 3.4Å
69P90.4Very high93.1Very high31 Ų3134.9 Ų34.920%0.20120%0.195CC..SBendtrans-80.40.3173.534.3-36.2000113.4I4 W136 T140 A142I4-P69 HydrophobicContact CD1-CB 4.33Å; I4-P69 HydrophobicContact CG2-CB 4.02Å; I4-P69 WeakPolarHBondContact CG2-O 3.48Å; P69-W136 HydrophobicContact CB-CD2 4.4Å; P69-W136 HydrophobicContact CB-CG 4.22Å; P69-T140 HydrophobicContact CB-CG2 3.69Å; P69-T140 HydrophobicContact CG-CG2 3.93Å; P69-A142 WeakPolarHBondContact O-CB 3.34Å
70S88.6Confident92.8Very high39 Ų3933.1 Ų33.127%0.27319%0.187SC..SBendtrans-119.6-31.9-177.6-720000114.6S68 N143S68-S70 PolarHBondContact O-N 3.07Å; S68-S70 PolarHBondContact OG-N 3.33Å; S70-N143 VanDerWaalsContact OG-C 3.3Å; S70-N143 PolarHBondContact OG-N 3.44Å; S70-N143 PolarHBondContact OG-O 2.87Å
71D91.8Very high92.4Very high69 Ų6935.7 Ų35.737%0.36920%0.199SC..SBendtrans-74.7139.9-170.6-73.4-76.4000112.4S68 L92S68-D71 WeakPolarHBondContact CB-OD2 3.5Å; S68-D71 PolarHBondContact OG-N 3.07Å; S68-D71 VanDerWaalsContact OG-N 3.16Å; S68-D71 PolarHBondContact OG-OD2 3.4Å; D71-L92 WeakPolarHBondContact O-CG 3.47Å
72P93.4Very high92Very high50 Ų5035.4 Ų35.433%0.32520%0.201SC..PPolyproline II helixtrans-72.5147.2176.331.6-35.1000111.3T74 I90P72-T74 PolarHBondContact O-N 2.98Å; P72-I90 CarbonylContact C-O 3.56Å; P72-I90 VanDerWaalsContact CA-O 3.29Å; P72-I90 WeakPolarHBondContact CA-O 3.46Å; P72-I90 WeakPolarHBondContact CB-O 3.3Å
73I94.5Very high91.6Very high1 Ų138 Ų381%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-71.3127.3168.2-62.9155.4000107.6V8 I10 L64 L66 L75 I90 L92 V95 I130V8-I73 HydrophobicContact CG1-CD1 4.18Å; V8-I73 HydrophobicContact CG2-CD1 3.84Å; I10-I73 HydrophobicContact CD1-CG2 3.74Å; L64-I73 HydrophobicContact CD1-CG2 4.2Å; L66-I73 HydrophobicContact CD1-CD1 4.26Å; L66-I73 HydrophobicContact CD1-CG1 4.45Å; L66-I73 HydrophobicContact CD2-CD1 4.21Å; L66-I73 HydrophobicContact CD2-CG1 3.8Å; I73-L75 HydrophobicContact CG2-CD2 4.4Å; I73-I90 HydrophobicContact CB-CB 4.36Å; I73-I90 PolarHBondContact N-O 3.34Å; I73-I90 PolarHBondContact O-N 3.09Å; I73-L92 HydrophobicContact CD1-CD2 3.84Å; I73-L92 HydrophobicContact CG1-CD2 3.9Å; I73-V95 HydrophobicContact CD1-CG2 4.24Å; I73-I130 HydrophobicContact CD1-CD1 3.77Å
74T94.9Very high91.4Very high17 Ų1737.5 Ų37.510%0.10421%0.207CC..EExtended strand (participates in β ladder)trans-111.9117.7178-51.60000110.6L38 P72 Q87 V88 D89L38-T74 HydrophobicContact CD1-CG2 4.35Å; L38-T74 PolarHBondContact N-O 3.37Å; L38-T74 PolarHBondContact O-N 3.01Å; P72-T74 PolarHBondContact O-N 2.98Å; T74-Q87 HydrophobicContact CG2-CB 3.84Å; T74-Q87 HydrophobicContact CG2-CG 4.19Å; T74-V88 WeakPolarHBondContact CA-O 3.31Å; T74-D89 WeakPolarHBondContact CG2-OD1 3.5Å; T74-D89 PolarHBondContact OG1-OD1 2.99Å; T74-D89 VanDerWaalsContact OG1-OD1 3.09Å
75L95.9Very high91.1Very high0 Ų037.4 Ų37.40%021%0.207CC..EExtended strand (participates in β ladder)trans-92.9106.4168.4-54.5-178.8000108.2I10 V12 V35 F37 I73 Q87 V88 I90 L126 Y128I10-L75 HydrophobicContact CD1-CD2 4.16Å; I10-L75 HydrophobicContact CG2-CD1 4.37Å; I10-L75 HydrophobicContact CG2-CD2 4.45Å; V12-L75 HydrophobicContact CG2-CD1 4.25Å; V35-L75 HydrophobicContact CG1-CB 4.12Å; F37-L75 HydrophobicContact CD1-CD2 3.44Å; F37-L75 VanDerWaalsContact CD1-CD2 3.44Å; F37-L75 HydrophobicContact CE1-CD2 3.78Å; F37-L75 HydrophobicContact CG-CD2 4.26Å; I73-L75 HydrophobicContact CG2-CD2 4.4Å; L75-Q87 CarbonylContact O-C 3.58Å; L75-Q87 VanDerWaalsContact O-CA 3.23Å; L75-Q87 WeakPolarHBondContact O-CA 3.49Å; L75-V88 HydrophobicContact CB-CB 4.36Å; L75-V88 PolarHBondContact N-O 2.93Å; L75-V88 PolarHBondContact O-N 2.92Å; L75-I90 HydrophobicContact CD1-CD1 3.89Å; L75-I90 HydrophobicContact CG-CD1 4.14Å; L75-L126 HydrophobicContact CB-CD2 3.77Å; L75-L126 HydrophobicContact CD1-CD2 3.71Å; L75-L126 HydrophobicContact CG-CD2 4.4Å; L75-Y128 HydrophobicContact CD1-CD1 4.19Å; L75-Y128 HydrophobicContact CD1-CD2 4.14Å; L75-Y128 HydrophobicContact CD1-CE2 4.5Å; L75-Y128 HydrophobicContact CD1-CG 3.99Å
76L94.6Very high91Very high19 Ų1934.3 Ų34.310%0.09919%0.192CC..EExtended strand (participates in β ladder)trans-101.3119.3-17616963000110.7V35 V36 L38 I78 N84 Q87V35-L76 CarbonylContact C-O 3.6Å; V35-L76 WeakPolarHBondContact CA-O 3.4Å; V36-L76 HydrophobicContact CB-CB 4.42Å; V36-L76 PolarHBondContact N-O 3.33Å; V36-L76 PolarHBondContact O-N 2.98Å; L38-L76 HydrophobicContact CD1-CB 4.3Å; L38-L76 HydrophobicContact CD1-CD2 4.35Å; L76-I78 HydrophobicContact CD1-CG1 4.47Å; L76-I78 HydrophobicContact CD2-CD1 3.89Å; L76-I78 HydrophobicContact CD2-CG1 4.2Å; L76-I78 HydrophobicContact CG-CD1 4.08Å; L76-I78 HydrophobicContact CG-CG1 3.85Å; L76-N84 HydrophobicContact CD1-CB 4.34Å; L76-N84 VanDerWaalsContact CD1-ND2 3.26Å; L76-N84 WeakPolarHBondContact CD1-ND2 3.48Å; L76-Q87 HydrophobicContact CD1-CB 4.22Å
77V94.1Very high91Very high0 Ų034.4 Ų34.40%019%0.192CC..EExtended strand (participates in β ladder)trans-89.4132.7176.4-172.10000110.3L18 R34 V35 W58 I85 G86 L113 L126L18-V77 HydrophobicContact CD1-CG1 4.03Å; R34-V77 WeakPolarHBondContact O-CA 3.43Å; V35-V77 HydrophobicContact CG2-CG2 4.37Å; W58-V77 HydrophobicContact CH2-CG1 4.4Å; V77-I85 HydrophobicContact CB-CB 4.3Å; V77-I85 HydrophobicContact CG1-CB 4.1Å; V77-I85 HydrophobicContact CG1-CG2 4.44Å; V77-I85 PolarHBondContact O-N 3.29Å; V77-G86 PolarHBondContact N-O 3.13Å; V77-L113 HydrophobicContact CB-CD1 4.31Å; V77-L113 HydrophobicContact CG2-CD1 4.09Å; V77-L113 HydrophobicContact CG2-CD2 3.78Å; V77-L126 HydrophobicContact CG2-CD1 4.37Å
78I91.7Very high91.1Very high23 Ų2328.8 Ų28.812%0.11816%0.163CC..EExtended strand (participates in β ladder)trans-134.5141.3-174.4-49.7-172.2000110.1W33 R34 V36 L76 N82 H83W33-I78 WeakPolarHBondContact CA-O 3.18Å; R34-I78 PolarHBondContact N-O 3.19Å; R34-I78 PolarHBondContact O-N 2.79Å; V36-I78 HydrophobicContact CB-CD1 4.33Å; V36-I78 HydrophobicContact CG2-CD1 3.53Å; V36-I78 HydrophobicContact CG2-CG1 4.24Å; L76-I78 HydrophobicContact CD1-CG1 4.47Å; L76-I78 HydrophobicContact CD2-CD1 3.89Å; L76-I78 HydrophobicContact CD2-CG1 4.2Å; L76-I78 HydrophobicContact CG-CD1 4.08Å; L76-I78 HydrophobicContact CG-CG1 3.85Å; I78-N82 HydrophobicContact CG2-CB 4.41Å; I78-H83 VanDerWaalsContact CA-O 3.29Å; I78-H83 WeakPolarHBondContact CA-O 3.42Å; I78-H83 WeakPolarHBondContact CG2-O 3.46Å
79D89.4Confident91.2Very high0 Ų029.6 Ų29.60%017%0.166CC..EExtended strand (participates in β ladder)trans-84.4175.2172.971.619.5000114.4Y20 T21 R32 Y48 D81 N82 H83 I85Y20-D79 HydrophobicContact CD2-CB 3.87Å; Y20-D79 WeakPolarHBondContact CD2-OD2 3.35Å; Y20-D79 HydrophobicContact CE2-CB 4.07Å; Y20-D79 WeakPolarHBondContact CE2-OD2 3.4Å; T21-D79 PolarHBondContact OG1-OD2 3.34Å; T21-D79 VanDerWaalsContact OG1-OD2 3.09Å; R32-D79 CarbonylContact O-C 3.53Å; R32-D79 WeakPolarHBondContact O-CA 3.19Å; Y48-D79 WeakPolarHBondContact CE1-O 3.41Å; Y48-D79 PolarHBondContact OH-O 3.45Å; D79-D81 PolarHBondContact O-N 3.27Å; D79-D81 VanDerWaalsContact O-N 3.16Å; D79-D81 WeakPolarHBondContact OD1-CA 3.4Å; D79-D81 PolarHBondContact OD1-N 3.45Å; D79-N82 PolarHBondContact O-N 2.9Å; D79-N82 PolarHBondContact OD1-N 3.03Å; D79-H83 PolarHBondContact N-O 2.93Å; D79-H83 VanDerWaalsContact N-O 3.12Å; D79-H83 IonicContact OD1-CG 3.23Å; D79-H83 PolarHBondContact OD1-N 3.01Å; D79-H83 IonicContact OD1-ND1 2.71Å; D79-H83 PolarHBondContact OD1-ND1 3.48Å; D79-H83 WeakPolarHBondContact OD2-CB 3.2Å; D79-H83 IonicContact OD2-CG 3.76Å; D79-H83 IonicContact OD2-ND1 3.26Å; D79-H83 PolarHBondContact OD2-ND1 2.88Å; D79-H83 VanDerWaalsContact OD2-ND1 3.11Å; D79-I85 HydrophobicContact CB-CD1 3.9Å; D79-I85 HydrophobicContact CB-CG1 4.1Å
80G86.4Confident91.3Very high6 Ų628.3 Ų28.36%0.06216%0.158CC..THydrogen-bonded Turntrans-66-5.3178.700000116.8R32R32-G80 PolarHBondContact NH2-O 3.35Å; R32-G80 VanDerWaalsContact NH2-O 3.11Å; R32-G80 PolarHBondContact O-N 3.1Å
81D84.4Confident91.5Very high80 Ų8028.7 Ų28.743%0.42816%0.159SC..THydrogen-bonded Turntrans-109.12.4173.8-65.6-53.6000111.8Y20 D79 H83Y20-D81 PolarHBondContact OH-OD2 2.77Å; D79-D81 PolarHBondContact O-N 3.27Å; D79-D81 VanDerWaalsContact O-N 3.16Å; D79-D81 WeakPolarHBondContact OD1-CA 3.4Å; D79-D81 PolarHBondContact OD1-N 3.45Å; D81-H83 VanDerWaalsContact CB-CE1 3.49Å; D81-H83 WeakPolarHBondContact CB-CE1 3.27Å
82N86.3Confident91.5Very high113 Ų11326.1 Ų26.160%0.60415%0.145SC*.  trans75.921.8-178.2-51.7-94.8000115.9Y48 I78 D79Y48-N82 PolarHBondContact OH-OD1 2.81Å; I78-N82 HydrophobicContact CG2-CB 4.41Å; D79-N82 PolarHBondContact O-N 2.9Å; D79-N82 PolarHBondContact OD1-N 3.03Å
83H86.3Confident91.2Very high72 Ų7229 Ų2933%0.33316%0.158SC..  trans-79.3141.6172.1-52.998.3000111.9T21 I78 D79 D81 I85T21-H83 VanDerWaalsContact OG1-CB 3.23Å; T21-H83 WeakPolarHBondContact OG1-CB 3.33Å; I78-H83 VanDerWaalsContact CA-O 3.29Å; I78-H83 WeakPolarHBondContact CA-O 3.42Å; I78-H83 WeakPolarHBondContact CG2-O 3.46Å; D79-H83 PolarHBondContact N-O 2.93Å; D79-H83 VanDerWaalsContact N-O 3.12Å; D79-H83 IonicContact OD1-CG 3.23Å; D79-H83 PolarHBondContact OD1-N 3.01Å; D79-H83 IonicContact OD1-ND1 2.71Å; D79-H83 PolarHBondContact OD1-ND1 3.48Å; D79-H83 WeakPolarHBondContact OD2-CB 3.2Å; D79-H83 IonicContact OD2-CG 3.76Å; D79-H83 IonicContact OD2-ND1 3.26Å; D79-H83 PolarHBondContact OD2-ND1 2.88Å; D79-H83 VanDerWaalsContact OD2-ND1 3.11Å; D81-H83 VanDerWaalsContact CB-CE1 3.49Å; D81-H83 WeakPolarHBondContact CB-CE1 3.27Å; H83-I85 PolarHBondContact O-N 3.22Å
84N89.2Confident90.9Very high46 Ų4635.3 Ų35.325%0.24619%0.187CC..EExtended strand (participates in β ladder)trans-72.1104.9174.3-66.984.2000110.4L76 K118 N119L76-N84 HydrophobicContact CD1-CB 4.34Å; L76-N84 VanDerWaalsContact CD1-ND2 3.26Å; L76-N84 WeakPolarHBondContact CD1-ND2 3.48Å; N84-K118 HydrophobicContact CB-CB 4.46Å; N84-N119 WeakPolarHBondContact O-CB 3.18Å
85I88.5Confident90.7Very high1 Ų134.9 Ų34.91%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-74.3-43178.2-57.6-51.2000110.9T21 W33 V77 D79 H83 L113 N119 A122T21-I85 HydrophobicContact CG2-CD1 3.84Å; T21-I85 WeakPolarHBondContact OG1-CD1 3.43Å; W33-I85 HydrophobicContact CE3-CG1 4.19Å; W33-I85 HydrophobicContact CZ3-CD1 4.28Å; W33-I85 HydrophobicContact CZ3-CG1 3.94Å; W33-I85 HydrophobicContact CZ3-CG2 4.23Å; V77-I85 HydrophobicContact CB-CB 4.3Å; V77-I85 HydrophobicContact CG1-CB 4.1Å; V77-I85 HydrophobicContact CG1-CG2 4.44Å; V77-I85 PolarHBondContact O-N 3.29Å; D79-I85 HydrophobicContact CB-CD1 3.9Å; D79-I85 HydrophobicContact CB-CG1 4.1Å; H83-I85 PolarHBondContact O-N 3.22Å; I85-L113 HydrophobicContact CG2-CD1 4.28Å; I85-N119 PolarHBondContact O-ND2 3.39Å; I85-A122 WeakPolarHBondContact O-CA 3.26Å; I85-A122 WeakPolarHBondContact O-CB 3.29Å
86G91.6Very high90.2Very high6 Ų637.7 Ų37.76%0.06220%0.203CC..EExtended strand (participates in β ladder)trans172.8178.4174.900000110.8V77V77-G86 PolarHBondContact N-O 3.13Å
87Q93.8Very high89.3Confident12 Ų1240.6 Ų40.66%0.05622%0.216CC..EExtended strand (participates in β ladder)trans-141.3152.7177.765175.85000113.4T74 L75 L76 D89 K114 K116T74-Q87 HydrophobicContact CG2-CB 3.84Å; T74-Q87 HydrophobicContact CG2-CG 4.19Å; L75-Q87 CarbonylContact O-C 3.58Å; L75-Q87 VanDerWaalsContact O-CA 3.23Å; L75-Q87 WeakPolarHBondContact O-CA 3.49Å; L76-Q87 HydrophobicContact CD1-CB 4.22Å; Q87-D89 PolarHBondContact NE2-OD1 3.36Å; Q87-D89 PolarHBondContact NE2-OD2 3.39Å; Q87-K114 PolarHBondContact N-O 2.97Å; Q87-K114 WeakPolarHBondContact O-CB 3.38Å; Q87-K114 PolarHBondContact O-N 3.46Å; Q87-K116 VanDerWaalsContact CD-CD 3.5Å; Q87-K116 HydrophobicContact CG-CD 4.41Å
88V94.5Very high87.9Confident2 Ų246.2 Ų46.21%0.01225%0.25CS..EExtended strand (participates in β ladder)trans-105.4115164.5-174.50000108T74 L75 I90 L113 L126 Y128T74-V88 WeakPolarHBondContact CA-O 3.31Å; L75-V88 HydrophobicContact CB-CB 4.36Å; L75-V88 PolarHBondContact N-O 2.93Å; L75-V88 PolarHBondContact O-N 2.92Å; V88-I90 HydrophobicContact CG1-CG1 3.9Å; V88-L113 HydrophobicContact CG2-CD2 3.87Å; V88-L126 HydrophobicContact CG2-CB 3.93Å; V88-L126 HydrophobicContact CG2-CD2 4.2Å; V88-Y128 HydrophobicContact CG1-CE1 4.18Å
89D94.3Very high86.3Confident35 Ų3546.2 Ų46.219%0.18726%0.256CS..EExtended strand (participates in β ladder)trans-92.8119.8167.8-53.5-75.1000109.2T74 Q87 K114T74-D89 WeakPolarHBondContact CG2-OD1 3.5Å; T74-D89 PolarHBondContact OG1-OD1 2.99Å; T74-D89 VanDerWaalsContact OG1-OD1 3.09Å; Q87-D89 PolarHBondContact NE2-OD1 3.36Å; Q87-D89 PolarHBondContact NE2-OD2 3.39Å; D89-K114 PolarHBondContact O-NZ 3.47Å
90I93.4Very high84.7Confident4 Ų449.6 Ų49.62%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-109.8106.2-177.9-50.5168.1000108.9P72 I73 L75 V88 V95 Y128 I130P72-I90 CarbonylContact C-O 3.56Å; P72-I90 VanDerWaalsContact CA-O 3.29Å; P72-I90 WeakPolarHBondContact CA-O 3.46Å; P72-I90 WeakPolarHBondContact CB-O 3.3Å; I73-I90 HydrophobicContact CB-CB 4.36Å; I73-I90 PolarHBondContact N-O 3.34Å; I73-I90 PolarHBondContact O-N 3.09Å; L75-I90 HydrophobicContact CD1-CD1 3.89Å; L75-I90 HydrophobicContact CG-CD1 4.14Å; V88-I90 HydrophobicContact CG1-CG1 3.9Å; I90-V95 HydrophobicContact CG2-CG2 4.46Å; I90-Y128 HydrophobicContact CD1-CD2 4.21Å; I90-Y128 HydrophobicContact CD1-CE2 3.45Å; I90-Y128 VanDerWaalsContact CD1-CE2 3.45Å; I90-Y128 HydrophobicContact CG1-CE2 4.3Å; I90-I130 HydrophobicContact CD1-CD1 4.16Å; I90-I130 HydrophobicContact CG2-CD1 4.49Å
91P92.9Very high83.5Confident46 Ų4654.4 Ų54.430%0.29930%0.304SS..  trans-61.1141.3171.4-24.636.1000112.5N93 Q94P91-N93 VanDerWaalsContact CB-OD1 3.24Å; P91-N93 WeakPolarHBondContact CB-OD1 3.29Å; P91-N93 PolarHBondContact O-N 2.92Å; P91-N93 VanDerWaalsContact O-N 3.14Å; P91-Q94 HydrophobicContact CB-CG 4.35Å; P91-Q94 WeakPolarHBondContact O-CB 3.43Å; P91-Q94 PolarHBondContact O-N 3.49Å
92L90.7Very high82.5Confident15 Ų1556 Ų568%0.07931%0.313CS..G310 helixtrans-62.8-24.1-176.1-56.6-174.9000113.8I4 L66 D71 I73 Q94 V95I4-L92 HydrophobicContact CG2-CD1 4.16Å; L66-L92 HydrophobicContact CD1-CD1 4.44Å; L66-L92 HydrophobicContact CD1-CD2 3.75Å; D71-L92 WeakPolarHBondContact O-CG 3.47Å; I73-L92 HydrophobicContact CD1-CD2 3.84Å; I73-L92 HydrophobicContact CG1-CD2 3.9Å; L92-Q94 PolarHBondContact O-N 3.21Å; L92-V95 PolarHBondContact O-N 3.41Å
93N87.8Confident81.5Confident112 Ų11252.6 Ų52.660%0.59929%0.293SS*.G310 helixtrans-77.2-2.7174.269.8-18.8000114.3M2 P91M2-N93 HydrophobicContact SD-CB 3.7Å; P91-N93 VanDerWaalsContact CB-OD1 3.24Å; P91-N93 WeakPolarHBondContact CB-OD1 3.29Å; P91-N93 PolarHBondContact O-N 2.92Å; P91-N93 VanDerWaalsContact O-N 3.14Å
94Q88.8Confident80.6Confident132 Ų13251.1 Ų51.162%0.61729%0.287SS*.G310 helixtrans-98-7.2170.6-62.6-174.4-11.600112.6P91 L92 P96P91-Q94 HydrophobicContact CB-CG 4.35Å; P91-Q94 WeakPolarHBondContact O-CB 3.43Å; P91-Q94 PolarHBondContact O-N 3.49Å; L92-Q94 PolarHBondContact O-N 3.21Å; Q94-P96 WeakPolarHBondContact O-CD 3.4Å
95V89.6Confident79.7Confident9 Ų953.2 Ų53.26%0.05530%0.298CS..SBendtrans-76.6124.2177.5178.50000109.7P5 V8 I73 I90 L92 Q97 I130 A132P5-V95 HydrophobicContact CG-CB 3.89Å; P5-V95 HydrophobicContact CG-CG1 4Å; P5-V95 HydrophobicContact CG-CG2 4.43Å; V8-V95 HydrophobicContact CG1-CG1 4.08Å; I73-V95 HydrophobicContact CD1-CG2 4.24Å; I90-V95 HydrophobicContact CG2-CG2 4.46Å; L92-V95 PolarHBondContact O-N 3.41Å; V95-Q97 PolarHBondContact O-N 2.9Å; V95-I130 HydrophobicContact CG1-CG1 4.25Å; V95-I130 HydrophobicContact CG2-CD1 3.93Å; V95-I130 HydrophobicContact CG2-CG1 4.37Å; V95-A132 HydrophobicContact CG1-CB 3.95Å
96P85.5Confident79Confident59 Ų5957.8 Ų57.838%0.38333%0.33SS..  trans-61.3132.3176-23.734.2000112.4Q94 T98 I130 A132Q94-P96 WeakPolarHBondContact O-CD 3.4Å; P96-T98 VanDerWaalsContact C-N 3.28Å; P96-T98 PolarHBondContact O-N 2.72Å; P96-I130 WeakPolarHBondContact CD-O 3.48Å; P96-A132 PolarHBondContact O-N 3.23Å; P96-A132 VanDerWaalsContact O-N 3.17Å
97Q75.5Confident78.4Confident80 Ų8062 Ų6237%0.37434%0.344SS..SBendtrans-76-13179.1-69.6178.31500114.1V95 Y135V95-Q97 PolarHBondContact O-N 2.9Å; Q97-Y135 WeakPolarHBondContact CA-OH 3.5Å; Q97-Y135 HydrophobicContact CG-CE1 4.22Å; Q97-Y135 PolarHBondContact O-OH 3.36Å
98T65.6Low78.1Confident117 Ų11762.1 Ų62.172%0.71835%0.345SS*.  trans-14388.7-17848.60000110.5P96P96-T98 VanDerWaalsContact C-N 3.28Å; P96-T98 PolarHBondContact O-N 2.72Å
99G58.7Low77.9Confident23 Ų2364.1 Ų64.124%0.23736%0.358CS..  trans-78.9131.7163.600000110.3
100N56Low77.9Confident71 Ų7167.8 Ų67.838%0.3837%0.37SS..  trans-73.4134.5158.2-178.2-17.4000106.4N102 W129N100-N102 PolarHBondContact O-N 2.89Å; N100-N102 WeakPolarHBondContact OD1-CB 3.46Å; N100-N102 PolarHBondContact OD1-N 2.92Å; N100-W129 VanDerWaalsContact O-CH2 3.27Å; N100-W129 WeakPolarHBondContact O-CH2 3.15Å; N100-W129 WeakPolarHBondContact O-CZ2 3.39Å
101P59.4Low77.9Confident107 Ų10768.8 Ų68.870%0.69538%0.378SS*.SBendtrans-59.2-21.8173.424.1-35.7000113.5F103P101-F103 PolarHBondContact O-N 2.81Å
102N64.5Low77.9Confident114 Ų11471.1 Ų71.161%0.6139%0.388SS*.SBendtrans-67.2116.2173.7-64-3000110.6N100 D104N100-N102 PolarHBondContact O-N 2.89Å; N100-N102 WeakPolarHBondContact OD1-CB 3.46Å; N100-N102 PolarHBondContact OD1-N 2.92Å; N102-D104 PolarHBondContact O-N 3.42Å
103F64.7Low78Confident42 Ų4271 Ų7118%0.18439%0.387CS..  trans-58.2126.7175.4-179.7-91.4000111.6I11 P101 L105 L108 W129 L552I11-F103 HydrophobicContact CD1-CD2 4.16Å; I11-F103 HydrophobicContact CG2-CE2 4.42Å; P101-F103 PolarHBondContact O-N 2.81Å; F103-L105 HydrophobicContact CE1-CD2 3.63Å; F103-L105 HydrophobicContact CE1-CG 4.05Å; F103-L105 HydrophobicContact CZ-CD2 4.09Å; F103-L108 HydrophobicContact CE2-CD2 4.41Å; F103-L108 HydrophobicContact CZ-CD2 4.26Å; F103-W129 HydrophobicContact CB-CZ3 4.03Å; F103-W129 AromaticContact CD2-CE3 3.59Å; F103-W129 HydrophobicContact CD2-CE3 3.59Å; F103-W129 AromaticContact CD2-CZ3 3.77Å; F103-W129 HydrophobicContact CD2-CZ3 3.77Å; F103-W129 HydrophobicContact CE2-CE3 4.17Å; F103-W129 HydrophobicContact CG-CE3 4.47Å; F103-W129 HydrophobicContact CG-CZ3 4.3Å; F103-L552 HydrophobicContact CG-CD2 4.43Å
104D68.3Low78Confident41 Ų4170.3 Ų70.322%0.21938%0.379CS..  trans-133110.7-171.3172.4-4.2000108.7N102 S106 R107N102-D104 PolarHBondContact O-N 3.42Å; D104-S106 VanDerWaalsContact CG-OG 3.27Å; D104-S106 PolarHBondContact O-N 3.13Å; D104-S106 VanDerWaalsContact O-N 3.08Å; D104-S106 VanDerWaalsContact OD1-CB 3.31Å; D104-S106 WeakPolarHBondContact OD1-CB 3.33Å; D104-S106 PolarHBondContact OD1-N 3.2Å; D104-S106 PolarHBondContact OD1-OG 3.39Å; D104-S106 PolarHBondContact OD2-OG 3.19Å; D104-R107 HydrophobicContact CB-CG 3.94Å; D104-R107 WeakPolarHBondContact O-CB 3.33Å; D104-R107 PolarHBondContact O-N 2.98Å; D104-R107 WeakPolarHBondContact OD2-CG 3.36Å; D104-R107 IonicContact OD2-CZ 3.94Å; D104-R107 IonicContact OD2-NE 3.92Å; D104-R107 PolarHBondContact OD2-NE 3.2Å; D104-R107 IonicContact OD2-NH2 3.23Å
105L70.3Confident77.3Confident89 Ų8967.1 Ų67.147%0.46637%0.371SS..G310 helixtrans-57-25.1-177.5-71.4168.9000113F103 R107 L108F103-L105 HydrophobicContact CE1-CD2 3.63Å; F103-L105 HydrophobicContact CE1-CG 4.05Å; F103-L105 HydrophobicContact CZ-CD2 4.09Å; L105-R107 PolarHBondContact O-N 3.11Å; L105-L108 HydrophobicContact CD2-CD1 3.77Å; L105-L108 PolarHBondContact O-N 2.98Å
106S73.6Confident76.4Confident98 Ų9872.4 Ų72.469%0.68539%0.393SS*.G310 helixtrans-72.8-14.5177.575.80000113.5D104D104-S106 VanDerWaalsContact CG-OG 3.27Å; D104-S106 PolarHBondContact O-N 3.13Å; D104-S106 VanDerWaalsContact O-N 3.08Å; D104-S106 VanDerWaalsContact OD1-CB 3.31Å; D104-S106 WeakPolarHBondContact OD1-CB 3.33Å; D104-S106 PolarHBondContact OD1-N 3.2Å; D104-S106 PolarHBondContact OD1-OG 3.39Å; D104-S106 PolarHBondContact OD2-OG 3.19Å
107R79.5Confident75.2Confident95 Ų9581.8 Ų81.836%0.35842%0.421SS..G310 helixtrans-94.2-0.7178.7-54.7-178.6-169.8-135.3-2.3113.8D104 L105 C109 W129D104-R107 HydrophobicContact CB-CG 3.94Å; D104-R107 WeakPolarHBondContact O-CB 3.33Å; D104-R107 PolarHBondContact O-N 2.98Å; D104-R107 WeakPolarHBondContact OD2-CG 3.36Å; D104-R107 IonicContact OD2-CZ 3.94Å; D104-R107 IonicContact OD2-NE 3.92Å; D104-R107 PolarHBondContact OD2-NE 3.2Å; D104-R107 IonicContact OD2-NH2 3.23Å; L105-R107 PolarHBondContact O-N 3.11Å; R107-C109 PolarHBondContact O-N 3.42Å; R107-W129 HydrophobicContact CB-CG 4.34Å
108L86.4Confident74.5Confident14 Ų1486.3 Ų86.37%0.07344%0.44CS..  trans-62.8117.9175.7-71.5170.4000110.2F103 L105 Y110 V127 Y128 W129F103-L108 HydrophobicContact CE2-CD2 4.41Å; F103-L108 HydrophobicContact CZ-CD2 4.26Å; L105-L108 HydrophobicContact CD2-CD1 3.77Å; L105-L108 PolarHBondContact O-N 2.98Å; L108-Y110 HydrophobicContact CB-CE2 3.85Å; L108-Y110 WeakPolarHBondContact O-CD2 3.3Å; L108-Y110 WeakPolarHBondContact O-CE2 3.13Å; L108-V127 HydrophobicContact CB-CG1 4.17Å; L108-V127 HydrophobicContact CD1-CG1 4.23Å; L108-V127 HydrophobicContact CD2-CG1 4.21Å; L108-V127 HydrophobicContact CG-CG1 4.45Å; L108-Y128 CarbonylContact C-O 3.42Å; L108-W129 HydrophobicContact CD2-CB 4.16Å
109C91.1Very high74.5Confident43 Ų4381.8 Ų81.829%0.29141%0.411SS..EExtended strand (participates in β ladder)trans-76.5125.6169.1-60.70000109.7R107 Y128R107-C109 PolarHBondContact O-N 3.42Å; C109-Y128 WeakPolarHBondContact CA-O 3.32Å; C109-Y128 HydrophobicContact CB-CD1 4.36Å; C109-Y128 HydrophobicContact CB-CD2 4.02Å; C109-Y128 HydrophobicContact CB-CE1 3.92Å; C109-Y128 HydrophobicContact CB-CE2 3.53Å; C109-Y128 HydrophobicContact CB-CG 4.4Å; C109-Y128 VanDerWaalsContact CB-CZ 3.47Å; C109-Y128 WeakPolarHBondContact CB-O 3.4Å; C109-Y128 PolarHBondContact N-O 3.13Å; C109-Y128 PolarHBondContact O-N 3.43Å; C109-Y128 VanDerWaalsContact O-N 3.11Å
110Y93.7Very high74.8Confident112 Ų11285.2 Ų85.244%0.43943%0.431SS..EExtended strand (participates in β ladder)trans-104.3114.2173.8-68.7-98.3000107.8L108 V127L108-Y110 HydrophobicContact CB-CE2 3.85Å; L108-Y110 WeakPolarHBondContact O-CD2 3.3Å; L108-Y110 WeakPolarHBondContact O-CE2 3.13Å; Y110-V127 HydrophobicContact CD1-CG1 4.21Å; Y110-V127 HydrophobicContact CD1-CG2 3.7Å; Y110-V127 HydrophobicContact CE1-CB 4.49Å; Y110-V127 HydrophobicContact CE1-CG1 3.84Å; Y110-V127 HydrophobicContact CE1-CG2 3.77Å
111S92.9Very high75.3Confident26 Ų2685.9 Ų85.918%0.18244%0.435CS..EExtended strand (participates in β ladder)trans-131.2123.9-179.3-56.40000112.4R125 L126 Y128S111-R125 WeakPolarHBondContact O-CA 3.29Å; S111-L126 PolarHBondContact N-O 2.85Å; S111-L126 PolarHBondContact O-N 2.83Å; S111-Y128 WeakPolarHBondContact OG-CE1 3.48Å; S111-Y128 PolarHBondContact OG-OH 3.42Å
112D93.6Very high76.3Confident95 Ų9581.3 Ų81.351%0.50841%0.407SS..EExtended strand (participates in β ladder)trans-68.6142.7174.9-59.3-41.6000110.8K114 R125D112-K114 PolarHBondContact O-N 3.34Å; D112-R125 IonicContact OD1-CZ 2.69Å; D112-R125 IonicContact OD1-NE 3.41Å; D112-R125 PolarHBondContact OD1-NE 2.89Å; D112-R125 IonicContact OD1-NH2 3.44Å; D112-R125 PolarHBondContact OD1-NH2 3.3Å; D112-R125 IonicContact OD2-NH2 2.63Å; D112-R125 PolarHBondContact OD2-NH2 3.48Å
113L92.7Very high77.1Confident12 Ų1280.7 Ų80.76%0.06340%0.4CS..PPolyproline II helixtrans-72.8127.6-175.4-66.6-176.5000111.8L18 V77 I85 V88 A122 G124 L126L18-L113 HydrophobicContact CD2-CD1 3.59Å; V77-L113 HydrophobicContact CB-CD1 4.31Å; V77-L113 HydrophobicContact CG2-CD1 4.09Å; V77-L113 HydrophobicContact CG2-CD2 3.78Å; I85-L113 HydrophobicContact CG2-CD1 4.28Å; V88-L113 HydrophobicContact CG2-CD2 3.87Å; L113-A122 HydrophobicContact CB-CB 4.09Å; L113-A122 WeakPolarHBondContact O-CB 3.46Å; L113-G124 PolarHBondContact N-O 3.44Å; L113-L126 HydrophobicContact CD2-CB 4.3Å
114K86.8Confident78.4Confident98 Ų9879.7 Ų79.743%0.42640%0.401SS..BIsolated β-bridgetrans-83.8126.5179-61.1169.1-177.2169.40110.6Q87 D89 D112Q87-K114 PolarHBondContact N-O 2.97Å; Q87-K114 WeakPolarHBondContact O-CB 3.38Å; Q87-K114 PolarHBondContact O-N 3.46Å; D89-K114 PolarHBondContact O-NZ 3.47Å; D112-K114 PolarHBondContact O-N 3.34Å
115S74.3Confident79.6Confident65 Ų6581.8 Ų81.846%0.45541%0.406SS..PPolyproline II helixtrans-62.3150.4168.9-63.70000111.6N119 S120 A122S115-N119 WeakPolarHBondContact CA-O 3.46Å; S115-N119 WeakPolarHBondContact CB-O 3.34Å; S115-S120 WeakPolarHBondContact CB-O 3.19Å; S115-S120 VanDerWaalsContact OG-C 3.31Å; S115-S120 PolarHBondContact OG-O 2.87Å; S115-A122 WeakPolarHBondContact OG-CB 3.34Å; S115-A122 PolarHBondContact OG-N 3.29Å; S115-A122 VanDerWaalsContact OG-N 3.1Å
116K70.6Confident80.8Confident119 Ų11977.6 Ų77.652%0.51738%0.384SS..BIsolated β-bridgetrans-142.7167.6-179.7-161.1158.1-174.8164.60109.2Q87 K118 N119Q87-K116 VanDerWaalsContact CD-CD 3.5Å; Q87-K116 HydrophobicContact CG-CD 4.41Å; K116-K118 PolarHBondContact O-N 3.3Å; K116-N119 PolarHBondContact N-O 2.8Å; K116-N119 CarbonylContact O-C 3.57Å; K116-N119 PolarHBondContact O-N 3.36Å
117R60.3Low81.8Confident257 Ų25772.9 Ų72.997%0.9735%0.351SS*.THydrogen-bonded Turntrans-55.4-13.8-176.6-168.3173.3177.2-164.9-1115.5
118K62.7Low82.6Confident174 Ų17468.8 Ų68.876%0.75734%0.336SS*.THydrogen-bonded Turntrans-93.4-19.8173-73.4-168.1171-167.60115.5N84 K116N84-K118 HydrophobicContact CB-CB 4.46Å; K116-K118 PolarHBondContact O-N 3.3Å
119N64.6Low82.8Confident23 Ų2368.5 Ų68.512%0.12333%0.334CS..BIsolated β-bridgetrans-145115.8169.2-178.417.9000109.7N84 I85 S115 K116 N121N84-N119 WeakPolarHBondContact O-CB 3.18Å; I85-N119 PolarHBondContact O-ND2 3.39Å; S115-N119 WeakPolarHBondContact CA-O 3.46Å; S115-N119 WeakPolarHBondContact CB-O 3.34Å; K116-N119 PolarHBondContact N-O 2.8Å; K116-N119 CarbonylContact O-C 3.57Å; K116-N119 PolarHBondContact O-N 3.36Å; N119-N121 VanDerWaalsContact C-N 3.32Å; N119-N121 VanDerWaalsContact ND2-C 3.3Å; N119-N121 PolarHBondContact ND2-O 2.92Å; N119-N121 PolarHBondContact OD1-N 3.18Å
120S64.3Low82.9Confident94 Ų9466.6 Ų66.666%0.65732%0.32SS*.SBendtrans-73.7-24.7174.849.70000113.1S115S115-S120 WeakPolarHBondContact CB-O 3.19Å; S115-S120 VanDerWaalsContact OG-C 3.31Å; S115-S120 PolarHBondContact OG-O 2.87Å
121N67.9Low82.8Confident85 Ų8562.4 Ų62.446%0.45530%0.304SS..  trans-113.962.7-170.3-59.125000109.1N119 H123N119-N121 VanDerWaalsContact C-N 3.32Å; N119-N121 VanDerWaalsContact ND2-C 3.3Å; N119-N121 PolarHBondContact ND2-O 2.92Å; N119-N121 PolarHBondContact OD1-N 3.18Å; N121-H123 PolarHBondContact O-N 3.42Å
122A79.4Confident82.8Confident12 Ų1261.6 Ų61.610%0.09930%0.299CS..  trans-74.8114.2168.600000108.5I85 L113 S115I85-A122 WeakPolarHBondContact O-CA 3.26Å; I85-A122 WeakPolarHBondContact O-CB 3.29Å; L113-A122 HydrophobicContact CB-CB 4.09Å; L113-A122 WeakPolarHBondContact O-CB 3.46Å; S115-A122 WeakPolarHBondContact OG-CB 3.34Å; S115-A122 PolarHBondContact OG-N 3.29Å; S115-A122 VanDerWaalsContact OG-N 3.1Å
123H82Confident82.6Confident100 Ų10061 Ų6146%0.46330%0.295SS..  trans-123.8144.7176.9-75-68.9000110.7E19 N121E19-H123 HydrophobicContact CB-CB 4.04Å; E19-H123 IonicContact OE2-CD2 3.88Å; E19-H123 PolarHBondContact OE2-CD2 3.02Å; E19-H123 VanDerWaalsContact OE2-CD2 3.24Å; E19-H123 IonicContact OE2-CG 2.71Å; N121-H123 PolarHBondContact O-N 3.42Å
124G90.9Very high82.6Confident21 Ų2163.3 Ų63.322%0.21631%0.307CS..SBendtrans99.8-179.2-174.200000113.6E16 N17 L113E16-G124 CarbonylContact O-C 3.57Å; E16-G124 WeakPolarHBondContact O-CA 3.45Å; N17-G124 VanDerWaalsContact O-CA 3.26Å; N17-G124 WeakPolarHBondContact O-CA 3.35Å; N17-G124 PolarHBondContact O-N 3.47Å; L113-G124 PolarHBondContact N-O 3.44Å
125R94.3Very high82.9Confident86 Ų8661.3 Ų61.333%0.32530%0.297SS..EExtended strand (participates in β ladder)trans-136.5150.8-169.7167.4177.1-66.9-175.4-2110.3G15 E16 S111 D112G15-R125 CarbonylContact C-O 3.58Å; G15-R125 WeakPolarHBondContact CA-O 3.33Å; E16-R125 HydrophobicContact CB-CB 4.26Å; E16-R125 PolarHBondContact N-O 3.2Å; E16-R125 PolarHBondContact O-N 2.97Å; E16-R125 WeakPolarHBondContact OE2-CD 3.36Å; S111-R125 WeakPolarHBondContact O-CA 3.29Å; D112-R125 IonicContact OD1-CZ 2.69Å; D112-R125 IonicContact OD1-NE 3.41Å; D112-R125 PolarHBondContact OD1-NE 2.89Å; D112-R125 IonicContact OD1-NH2 3.44Å; D112-R125 PolarHBondContact OD1-NH2 3.3Å; D112-R125 IonicContact OD2-NH2 2.63Å; D112-R125 PolarHBondContact OD2-NH2 3.48Å
126L95.4Very high83.7Confident0 Ų061.4 Ų61.40%029%0.288CS..EExtended strand (participates in β ladder)trans-109.6137.3170.8-163.766.7000109.8V12 V35 W58 L75 V77 V88 S111 L113 Y128V12-L126 HydrophobicContact CG1-CD1 3.8Å; V12-L126 HydrophobicContact CG1-CD2 4.34Å; V12-L126 HydrophobicContact CG1-CG 4.19Å; V35-L126 HydrophobicContact CG1-CD2 4.49Å; V35-L126 HydrophobicContact CG2-CD1 4.1Å; W58-L126 HydrophobicContact CE3-CD1 4.44Å; W58-L126 HydrophobicContact CH2-CD1 4.37Å; W58-L126 HydrophobicContact CZ3-CD1 3.65Å; L75-L126 HydrophobicContact CB-CD2 3.77Å; L75-L126 HydrophobicContact CD1-CD2 3.71Å; L75-L126 HydrophobicContact CG-CD2 4.4Å; V77-L126 HydrophobicContact CG2-CD1 4.37Å; V88-L126 HydrophobicContact CG2-CB 3.93Å; V88-L126 HydrophobicContact CG2-CD2 4.2Å; S111-L126 PolarHBondContact N-O 2.85Å; S111-L126 PolarHBondContact O-N 2.83Å; L113-L126 HydrophobicContact CD2-CB 4.3Å; L126-Y128 HydrophobicContact CB-CD1 4.4Å; L126-Y128 HydrophobicContact CD2-CD1 4.31Å; L126-Y128 HydrophobicContact CG-CD1 4.22Å
127V95.3Very high84.6Confident0 Ų059.7 Ų59.70%029%0.289CS..EExtended strand (participates in β ladder)trans-115.5116.2177.3-172.80000108.5Q13 R14 E16 L108 Y110Q13-V127 PolarHBondContact N-O 3.43Å; R14-V127 HydrophobicContact CG-CB 3.98Å; R14-V127 HydrophobicContact CG-CG2 4.1Å; R14-V127 PolarHBondContact N-O 3.49Å; R14-V127 PolarHBondContact O-N 2.67Å; E16-V127 HydrophobicContact CG-CG2 4.03Å; L108-V127 HydrophobicContact CB-CG1 4.17Å; L108-V127 HydrophobicContact CD1-CG1 4.23Å; L108-V127 HydrophobicContact CD2-CG1 4.21Å; L108-V127 HydrophobicContact CG-CG1 4.45Å; Y110-V127 HydrophobicContact CD1-CG1 4.21Å; Y110-V127 HydrophobicContact CD1-CG2 3.7Å; Y110-V127 HydrophobicContact CE1-CB 4.49Å; Y110-V127 HydrophobicContact CE1-CG1 3.84Å; Y110-V127 HydrophobicContact CE1-CG2 3.77Å
128Y94.6Very high85.7Confident9 Ų953.4 Ų53.44%0.03528%0.281CS..EExtended strand (participates in β ladder)trans-148.6164.6-172.263-82.3000111I11 L75 V88 I90 L108 C109 S111 L126 I130I11-Y128 CarbonylContact O-C 3.57Å; I11-Y128 WeakPolarHBondContact O-CA 3.45Å; I11-Y128 VanDerWaalsContact O-CB 3.3Å; I11-Y128 WeakPolarHBondContact O-CB 3.39Å; L75-Y128 HydrophobicContact CD1-CD1 4.19Å; L75-Y128 HydrophobicContact CD1-CD2 4.14Å; L75-Y128 HydrophobicContact CD1-CE2 4.5Å; L75-Y128 HydrophobicContact CD1-CG 3.99Å; V88-Y128 HydrophobicContact CG1-CE1 4.18Å; I90-Y128 HydrophobicContact CD1-CD2 4.21Å; I90-Y128 HydrophobicContact CD1-CE2 3.45Å; I90-Y128 VanDerWaalsContact CD1-CE2 3.45Å; I90-Y128 HydrophobicContact CG1-CE2 4.3Å; L108-Y128 CarbonylContact C-O 3.42Å; C109-Y128 WeakPolarHBondContact CA-O 3.32Å; C109-Y128 HydrophobicContact CB-CD1 4.36Å; C109-Y128 HydrophobicContact CB-CD2 4.02Å; C109-Y128 HydrophobicContact CB-CE1 3.92Å; C109-Y128 HydrophobicContact CB-CE2 3.53Å; C109-Y128 HydrophobicContact CB-CG 4.4Å; C109-Y128 VanDerWaalsContact CB-CZ 3.47Å; C109-Y128 WeakPolarHBondContact CB-O 3.4Å; C109-Y128 PolarHBondContact N-O 3.13Å; C109-Y128 PolarHBondContact O-N 3.43Å; C109-Y128 VanDerWaalsContact O-N 3.11Å; S111-Y128 WeakPolarHBondContact OG-CE1 3.48Å; S111-Y128 PolarHBondContact OG-OH 3.42Å; L126-Y128 HydrophobicContact CB-CD1 4.4Å; L126-Y128 HydrophobicContact CD2-CD1 4.31Å; L126-Y128 HydrophobicContact CG-CD1 4.22Å; Y128-I130 HydrophobicContact CD2-CB 4.43Å; Y128-I130 HydrophobicContact CD2-CG2 4.2Å; Y128-I130 HydrophobicContact CE2-CG2 3.92Å
129W92.1Very high86.6Confident8 Ų847.1 Ų47.13%0.0327%0.266CS..EExtended strand (participates in β ladder)trans-128.2143.6170176.442.3000108.9I10 I11 N100 F103 R107 L108 W131I10-W129 CarbonylContact C-O 3.55Å; I10-W129 WeakPolarHBondContact CA-O 3.46Å; I11-W129 HydrophobicContact CD1-CE3 4.05Å; I11-W129 HydrophobicContact CD1-CZ3 4.24Å; I11-W129 PolarHBondContact N-O 3.16Å; I11-W129 PolarHBondContact O-N 3.23Å; N100-W129 VanDerWaalsContact O-CH2 3.27Å; N100-W129 WeakPolarHBondContact O-CH2 3.15Å; N100-W129 WeakPolarHBondContact O-CZ2 3.39Å; F103-W129 HydrophobicContact CB-CZ3 4.03Å; F103-W129 AromaticContact CD2-CE3 3.59Å; F103-W129 HydrophobicContact CD2-CE3 3.59Å; F103-W129 AromaticContact CD2-CZ3 3.77Å; F103-W129 HydrophobicContact CD2-CZ3 3.77Å; F103-W129 HydrophobicContact CE2-CE3 4.17Å; F103-W129 HydrophobicContact CG-CE3 4.47Å; F103-W129 HydrophobicContact CG-CZ3 4.3Å; R107-W129 HydrophobicContact CB-CG 4.34Å; L108-W129 HydrophobicContact CD2-CB 4.16Å; W129-W131 AromaticContact CD2-CE3 3.75Å; W129-W131 HydrophobicContact CD2-CE3 3.75Å; W129-W131 AromaticContact CD2-CZ3 3.57Å; W129-W131 HydrophobicContact CD2-CZ3 3.57Å; W129-W131 AromaticContact CE2-CE3 3.72Å; W129-W131 AromaticContact CE2-CZ3 3.95Å; W129-W131 AromaticContact CE3-CE3 4Å; W129-W131 HydrophobicContact CE3-CE3 4Å; W129-W131 AromaticContact CE3-CH2 3.95Å; W129-W131 HydrophobicContact CE3-CH2 3.95Å; W129-W131 AromaticContact CE3-CZ3 3.34Å; W129-W131 HydrophobicContact CE3-CZ3 3.34Å; W129-W131 HydrophobicContact CG-CE3 4.26Å; W129-W131 HydrophobicContact CG-CZ3 4.26Å; W129-W131 HydrophobicContact CH2-CE3 4.2Å; W129-W131 HydrophobicContact CH2-CH2 4.08Å; W129-W131 AromaticContact CH2-CZ3 3.94Å; W129-W131 HydrophobicContact CH2-CZ3 3.94Å; W129-W131 HydrophobicContact CZ2-CD2 4.4Å; W129-W131 AromaticContact CZ2-CE3 3.97Å; W129-W131 HydrophobicContact CZ2-CE3 3.97Å; W129-W131 HydrophobicContact CZ2-CZ3 4.14Å; W129-W131 HydrophobicContact CZ3-CE3 4.19Å; W129-W131 AromaticContact CZ3-CH2 3.68Å; W129-W131 HydrophobicContact CZ3-CH2 3.68Å; W129-W131 HydrophobicContact CZ3-CZ2 4.48Å; W129-W131 AromaticContact CZ3-CZ3 3.52Å; W129-W131 HydrophobicContact CZ3-CZ3 3.52Å
130I92.8Very high87.5Confident2 Ų248.1 Ų48.11%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-144141.6-173.3-179.6165.2000110.6N9 I10 I73 I90 V95 P96 Y128N9-I130 WeakPolarHBondContact O-CA 3.2Å; I10-I130 HydrophobicContact CD1-CD1 3.92Å; I10-I130 HydrophobicContact CG1-CD1 3.9Å; I10-I130 HydrophobicContact CG1-CG1 4.03Å; I73-I130 HydrophobicContact CD1-CD1 3.77Å; I90-I130 HydrophobicContact CD1-CD1 4.16Å; I90-I130 HydrophobicContact CG2-CD1 4.49Å; V95-I130 HydrophobicContact CG1-CG1 4.25Å; V95-I130 HydrophobicContact CG2-CD1 3.93Å; V95-I130 HydrophobicContact CG2-CG1 4.37Å; P96-I130 WeakPolarHBondContact CD-O 3.48Å; Y128-I130 HydrophobicContact CD2-CB 4.43Å; Y128-I130 HydrophobicContact CD2-CG2 4.2Å; Y128-I130 HydrophobicContact CE2-CG2 3.92Å
131W91.9Very high88Confident25 Ų2550.9 Ų50.910%0.09528%0.275CS..EExtended strand (participates in β ladder)trans-152.7158.3172.565.2102.7000111.3V8 N9 I11 W129V8-W131 CarbonylContact C-O 3.41Å; V8-W131 VanDerWaalsContact CA-O 3.29Å; V8-W131 WeakPolarHBondContact CA-O 3.46Å; V8-W131 WeakPolarHBondContact CB-O 3.47Å; N9-W131 HydrophobicContact CB-CD2 3.93Å; N9-W131 HydrophobicContact CB-CE3 4.21Å; N9-W131 HydrophobicContact CB-CH2 3.89Å; N9-W131 HydrophobicContact CB-CZ2 3.59Å; N9-W131 HydrophobicContact CB-CZ3 4.17Å; N9-W131 PolarHBondContact N-O 3.12Å; N9-W131 WeakPolarHBondContact ND2-CH2 3.26Å; N9-W131 WeakPolarHBondContact ND2-CZ2 3.41Å; N9-W131 PolarHBondContact O-N 3.06Å; N9-W131 VanDerWaalsContact O-N 3.13Å; I11-W131 HydrophobicContact CD1-CH2 3.99Å; I11-W131 HydrophobicContact CD1-CZ3 4.26Å; I11-W131 HydrophobicContact CG1-CH2 4.19Å; I11-W131 HydrophobicContact CG1-CZ3 4.21Å; W129-W131 AromaticContact CD2-CE3 3.75Å; W129-W131 HydrophobicContact CD2-CE3 3.75Å; W129-W131 AromaticContact CD2-CZ3 3.57Å; W129-W131 HydrophobicContact CD2-CZ3 3.57Å; W129-W131 AromaticContact CE2-CE3 3.72Å; W129-W131 AromaticContact CE2-CZ3 3.95Å; W129-W131 AromaticContact CE3-CE3 4Å; W129-W131 HydrophobicContact CE3-CE3 4Å; W129-W131 AromaticContact CE3-CH2 3.95Å; W129-W131 HydrophobicContact CE3-CH2 3.95Å; W129-W131 AromaticContact CE3-CZ3 3.34Å; W129-W131 HydrophobicContact CE3-CZ3 3.34Å; W129-W131 HydrophobicContact CG-CE3 4.26Å; W129-W131 HydrophobicContact CG-CZ3 4.26Å; W129-W131 HydrophobicContact CH2-CE3 4.2Å; W129-W131 HydrophobicContact CH2-CH2 4.08Å; W129-W131 AromaticContact CH2-CZ3 3.94Å; W129-W131 HydrophobicContact CH2-CZ3 3.94Å; W129-W131 HydrophobicContact CZ2-CD2 4.4Å; W129-W131 AromaticContact CZ2-CE3 3.97Å; W129-W131 HydrophobicContact CZ2-CE3 3.97Å; W129-W131 HydrophobicContact CZ2-CZ3 4.14Å; W129-W131 HydrophobicContact CZ3-CE3 4.19Å; W129-W131 AromaticContact CZ3-CH2 3.68Å; W129-W131 HydrophobicContact CZ3-CH2 3.68Å; W129-W131 HydrophobicContact CZ3-CZ2 4.48Å; W129-W131 AromaticContact CZ3-CZ3 3.52Å; W129-W131 HydrophobicContact CZ3-CZ3 3.52Å
132A91.9Very high88.1Confident8 Ų848.9 Ų48.97%0.06627%0.27CS..EExtended strand (participates in β ladder)trans-85.5146.3173.800000112P5 V8 V95 P96 Y135P5-A132 HydrophobicContact CB-CB 3.96Å; P5-A132 HydrophobicContact CG-CB 4.08Å; V8-A132 HydrophobicContact CG1-CB 4.45Å; V95-A132 HydrophobicContact CG1-CB 3.95Å; P96-A132 PolarHBondContact O-N 3.23Å; P96-A132 VanDerWaalsContact O-N 3.17Å; A132-Y135 HydrophobicContact CB-CE1 3.75Å; A132-Y135 VanDerWaalsContact CB-OH 3.31Å; A132-Y135 WeakPolarHBondContact CB-OH 3.21Å
133I90.8Very high87.2Confident84 Ų8453.1 Ų53.143%0.43129%0.291SS..EExtended strand (participates in β ladder)trans-112.4-37.7176.6-58.4160.9000110.6K7 N9 T63K7-I133 HydrophobicContact CB-CB 4.37Å; K7-I133 HydrophobicContact CD-CB 4.38Å; K7-I133 HydrophobicContact CD-CD1 4.48Å; K7-I133 HydrophobicContact CD-CG2 4.31Å; K7-I133 HydrophobicContact CG-CB 4.42Å; K7-I133 HydrophobicContact CG-CD1 4.36Å; K7-I133 PolarHBondContact O-N 3.28Å; N9-I133 HydrophobicContact CB-CD1 3.79Å; N9-I133 HydrophobicContact CB-CG1 4.31Å; T63-I133 HydrophobicContact CG2-CD1 3.7Å
134D91.7Very high85.8Confident59 Ų5954.1 Ų54.132%0.31631%0.305SS..EExtended strand (participates in β ladder)trans-140.1159.1-178.2-177.530.6000110.4K6 K7K6-D134 PolarHBondContact N-O 3.13Å; K6-D134 IonicContact NZ-OD2 3.01Å; K6-D134 PolarHBondContact NZ-OD2 3.11Å; K7-D134 HydrophobicContact CB-CB 3.61Å; K7-D134 PolarHBondContact N-O 2.94Å; K7-D134 VanDerWaalsContact N-O 3.08Å; K7-D134 PolarHBondContact O-N 3.47Å
135Y92.7Very high83.4Confident57 Ų5757.9 Ų57.922%0.22432%0.323CS..EExtended strand (participates in β ladder)trans-127.5152.6-170.9-63.9-76.6000113.2N3 I4 K6 Q97 A132N3-Y135 HydrophobicContact CB-CD1 3.59Å; N3-Y135 HydrophobicContact CB-CE1 3.95Å; N3-Y135 HydrophobicContact CB-CG 4.09Å; I4-Y135 WeakPolarHBondContact O-CA 3.44Å; K6-Y135 VanDerWaalsContact CB-C 3.4Å; Q97-Y135 WeakPolarHBondContact CA-OH 3.5Å; Q97-Y135 HydrophobicContact CG-CE1 4.22Å; Q97-Y135 PolarHBondContact O-OH 3.36Å; A132-Y135 HydrophobicContact CB-CE1 3.75Å; A132-Y135 VanDerWaalsContact CB-OH 3.31Å; A132-Y135 WeakPolarHBondContact CB-OH 3.21Å
136W91.6Very high81.1Confident67 Ų6761.9 Ų61.925%0.25435%0.345SS..PPolyproline II helixtrans-69.2146.6166.1-68.997.8000110.5I4 P5 K6 L66 P69 T140I4-W136 HydrophobicContact CB-CB 4.37Å; I4-W136 PolarHBondContact O-N 3.38Å; P5-W136 PolarHBondContact O-NE1 3.09Å; K6-W136 HydrophobicContact CB-CD2 4.14Å; K6-W136 HydrophobicContact CB-CG 4Å; K6-W136 HydrophobicContact CD-CD2 4.08Å; K6-W136 HydrophobicContact CD-CE3 4.09Å; K6-W136 HydrophobicContact CD-CZ3 4.36Å; K6-W136 HydrophobicContact CG-CD2 4.29Å; K6-W136 HydrophobicContact CG-CZ2 4.36Å; L66-W136 WeakPolarHBondContact O-CZ2 3.47Å; P69-W136 HydrophobicContact CB-CD2 4.4Å; P69-W136 HydrophobicContact CB-CG 4.22Å; W136-T140 HydrophobicContact CB-CG2 3.86Å; W136-T140 HydrophobicContact CD2-CG2 4.46Å; W136-T140 HydrophobicContact CG-CG2 4.16Å
137P89.4Confident78.3Confident83 Ų8368 Ų6854%0.53937%0.374SS..PPolyproline II helixtrans-55.2146.3179.5-27.235.4000113.1G139 T140P137-G139 PolarHBondContact O-N 3.33Å; P137-T140 VanDerWaalsContact O-CB 3.29Å; P137-T140 WeakPolarHBondContact O-CB 3.48Å; P137-T140 PolarHBondContact O-N 2.97Å; P137-T140 PolarHBondContact O-OG1 2.87Å
138P84.4Confident75.6Confident125 Ų12572.8 Ų72.881%0.81241%0.407SS*.THydrogen-bonded Turntrans-51.2137.6173.1-27.135.4000112
139G80.5Confident73.1Confident42 Ų4282.2 Ų82.243%0.43345%0.448SS..THydrogen-bonded Turntrans89.1-8.8-173.500000115.1P137 Q141P137-G139 PolarHBondContact O-N 3.33Å; G139-Q141 PolarHBondContact O-N 3.24Å
140T83.3Confident70.4Confident44 Ų4486.4 Ų86.427%0.2748%0.479SS..  trans-58.8121.8169.6-59.40000110I4 P69 W136 P137 A142I4-T140 HydrophobicContact CD1-CG2 4.24Å; I4-T140 VanDerWaalsContact CD1-O 3.23Å; I4-T140 WeakPolarHBondContact CD1-O 3.4Å; P69-T140 HydrophobicContact CB-CG2 3.69Å; P69-T140 HydrophobicContact CG-CG2 3.93Å; W136-T140 HydrophobicContact CB-CG2 3.86Å; W136-T140 HydrophobicContact CD2-CG2 4.46Å; W136-T140 HydrophobicContact CG-CG2 4.16Å; P137-T140 VanDerWaalsContact O-CB 3.29Å; P137-T140 WeakPolarHBondContact O-CB 3.48Å; P137-T140 PolarHBondContact O-N 2.97Å; P137-T140 PolarHBondContact O-OG1 2.87Å; T140-A142 PolarHBondContact O-N 3.32Å
141Q75.8Confident67.9Low152 Ų15294.7 Ų94.771%0.7152%0.522SS*.  trans-89.7109-178.9-64.8-172.450.200110.7G139 N143G139-Q141 PolarHBondContact O-N 3.24Å; Q141-N143 VanDerWaalsContact C-N 3.27Å; Q141-N143 PolarHBondContact O-N 3.49Å
142A69.5Low65.3Low42 Ų42104 Ų10435%0.34756%0.557SS.*  trans-6788.9161.700000108.9I4 P69 T140 T144I4-A142 HydrophobicContact CD1-CB 3.82Å; P69-A142 WeakPolarHBondContact O-CB 3.34Å; T140-A142 PolarHBondContact O-N 3.32Å; A142-T144 PolarHBondContact O-N 3.29Å
143N60.9Low62.8Low101 Ų101107 Ų10754%0.5459%0.589SS.*  trans-63.494.7171.5-80.3-37.8000109.3S70 Q141 T145S70-N143 VanDerWaalsContact OG-C 3.3Å; S70-N143 PolarHBondContact OG-N 3.44Å; S70-N143 PolarHBondContact OG-O 2.87Å; Q141-N143 VanDerWaalsContact C-N 3.27Å; Q141-N143 PolarHBondContact O-N 3.49Å; N143-T145 PolarHBondContact O-N 2.85Å
144T51.7Low60.1Low122 Ų122108 Ų10875%0.74860%0.604SS**  trans-75.233.9176.960.40000112.7A142 H146A142-T144 PolarHBondContact O-N 3.29Å; T144-H146 PolarHBondContact O-N 3.47Å; T144-H146 VanDerWaalsContact O-N 3.07Å
145T40.8Very low57.8Low99 Ų99113.1 Ų113.161%0.60763%0.63SS**  trans-82.783.8179.8-51.20000108.7N143 H147N143-T145 PolarHBondContact O-N 2.85Å; T145-H147 PolarHBondContact O-CE1 3.46Å; T145-H147 VanDerWaalsContact O-CE1 3.26Å; T145-H147 PolarHBondContact O-N 2.76Å; T145-H147 VanDerWaalsContact O-N 3.1Å; T145-H147 PolarHBondContact O-ND1 2.94Å
146H45.5Very low55.3Low170 Ų170114.8 Ų114.879%0.78765%0.646SS**  trans-36.7118.8177.4-74.8-87000111.7T144 S148T144-H146 PolarHBondContact O-N 3.47Å; T144-H146 VanDerWaalsContact O-N 3.07Å; H146-S148 PolarHBondContact O-N 3.29Å
147H37.1Very low52.9Low130 Ų130119.4 Ų119.460%0.60267%0.671SS**  trans-75.350-176.9-55.6-28.3000112.9T145 K149T145-H147 PolarHBondContact O-CE1 3.46Å; T145-H147 VanDerWaalsContact O-CE1 3.26Å; T145-H147 PolarHBondContact O-N 2.76Å; T145-H147 VanDerWaalsContact O-N 3.1Å; T145-H147 PolarHBondContact O-ND1 2.94Å; H147-K149 PolarHBondContact O-N 3.13Å
148S38.8Very low50.9Low99 Ų99124.1 Ų124.169%0.69269%0.69SS**  trans-46.4120.1155-70.70000108.2H146 S150H146-S148 PolarHBondContact O-N 3.29Å; S148-S150 PolarHBondContact O-N 3.27Å
149K42.6Very low48.6Very low207 Ų207121.2 Ų121.290%0.968%0.683SS**  trans-74.864.7-174.1-64.2-172.3176.7-170.80111.7H147 L151H147-K149 PolarHBondContact O-N 3.13Å; K149-L151 VanDerWaalsContact C-N 3.32Å; K149-L151 PolarHBondContact O-N 2.99Å
150S34.8Very low46.8Very low96 Ų96124.2 Ų124.267%0.67170%0.697SS**  trans-7781.5176-177.50000109.9S148 R152S148-S150 PolarHBondContact O-N 3.27Å; S150-R152 PolarHBondContact O-N 3.27Å
151L40.9Very low44.8Very low177 Ų177131.3 Ų131.393%0.92772%0.724SS**  trans-68.173.3161.2-85.5165.6000109.7K149K149-L151 VanDerWaalsContact C-N 3.32Å; K149-L151 PolarHBondContact O-N 2.99Å
152R36.5Very low43.5Very low220 Ų220132.7 Ų132.783%0.8374%0.735SS**  trans-149.6107.5167.3-121.8179.9179.2-158.7-4108.3S150S150-R152 PolarHBondContact O-N 3.27Å
153G39Very low42.2Very low71 Ų71141.1 Ų141.173%0.73276%0.757SS**  trans-63.5154.9-18000000112L155G153-L155 PolarHBondContact O-N 3.46Å; G153-L155 VanDerWaalsContact O-N 3.15Å
154S34.5Very low41Very low105 Ų105142 Ų14273%0.73477%0.772SS**  trans-65.5113.7172.7-170.70000109.9
155L43.8Very low40.8Very low167 Ų167144.7 Ų144.787%0.87477%0.773SS**  trans-129.369.7159.1-75.3176.1000107.5G153G153-L155 PolarHBondContact O-N 3.46Å; G153-L155 VanDerWaalsContact O-N 3.15Å
156T41.2Very low40.8Very low92 Ų92145 Ų14556%0.56478%0.779SS**  trans-65162145.649.40000108.9
157H40Very low40.7Very low164 Ų164145.3 Ų145.376%0.75978%0.778SS**  trans70.4141.9-172.9-35.5-70.7000113.5
158L47.1Very low41.1Very low181 Ų181146.1 Ų146.195%0.94878%0.782SS**  trans64126.6-171.4-46.1-179.7000114.9
159G37.3Very low41Very low64 Ų64152.7 Ų152.766%0.6679%0.792SS**  cis151.460.40.700000114
160S42.5Very low41.3Very low105 Ų105148.6 Ų148.673%0.73479%0.789SS**  trans72.1142170.185.70000119
161K39.7Very low41.5Very low194 Ų194151.9 Ų151.984%0.84379%0.791SS**  trans44.6109.8144.7-59.9166.5-176.7173.10119.3
162I48.7Very low41.6Very low181 Ų181151.2 Ų151.293%0.92879%0.789SS**  -154.4152.7126.3-104.7151.1000109.8
163R43.5Very low41.8Very low218 Ų218146.3 Ų146.382%0.82378%0.779SS**  trans-112.2112.9-160.6-178.9-171-168.8-178.56.8111.7K165R163-K165 PolarHBondContact O-N 3.45Å
164S36.2Very low42Very low120 Ų120149.6 Ų149.684%0.83978%0.779SS**  trans-64.5125.4177.7-47.50000112.5
165K45.7Very low42.3Very low178 Ų178150.9 Ų150.977%0.77478%0.778SS**  trans-137.6112.3155.2-83.1-159.4173.6-172.10111.1R163R163-K165 PolarHBondContact O-N 3.45Å
166S41Very low42.1Very low105 Ų105152.6 Ų152.673%0.73478%0.775SS**  trans-32.4152.9158.351.60000116.7
167K44.7Very low42.1Very low178 Ų178153.3 Ų153.377%0.77478%0.779SS**  -169.9140.6106.6-99.7-179.4172.6-174.20114.6
168H44.2Very low42.1Very low147 Ų147152.7 Ų152.768%0.68178%0.781SS**  trans36.7137.5152-54.6-58.4000124.4
169R37Very low41.5Very low237 Ų237146.7 Ų146.789%0.89476%0.763SS**  28.4130.9128.5-59.1177.8174.5178-3.5117.1
170S50Low41.7Very low121 Ų121153.5 Ų153.585%0.84677%0.77SS**  -150.6177.758.855.20000114.4
171K38.2Very low41.5Very low165 Ų165155.9 Ų155.972%0.71777%0.77SS**  trans-132130.9168.9-177.3-170.1177.7-165.60107
172N43.6Very low41.3Very low163 Ų163154.9 Ų154.987%0.87277%0.768SS**  trans-153.1145.6163.4-107.47.4000107.6
173D40.3Very low40.8Very low116 Ų116152.2 Ų152.262%0.6277%0.765SS**  trans-105.3-177.9-172.4-53.7-81.2000111.4
174N44Very low40.5Very low140 Ų140145.3 Ų145.375%0.74976%0.763SS**  trans97.595.9166.7-54-5000119.4
175D38.9Very low40.4Very low133 Ų133147.4 Ų147.471%0.71176%0.762SS**  66162.6117.3-60.4-25.1000124.2
176Y41.1Very low40.1Very low203 Ų203146.9 Ų146.980%0.79677%0.768SS**  trans91.181.1166.1-63.4-82.4000120.3
177T41.1Very low39.8Very low107 Ų107144.7 Ų144.766%0.65676%0.762SS**  84132.4109.6-64.10000121.5
178N39.1Very low39.6Very low151 Ų151142.3 Ų142.381%0.80777%0.768SS**  trans66.8147.9167.9-64.5-19.5000117.8
179G34.7Very low39.2Very low55 Ų55140.1 Ų140.157%0.56777%0.769SS**  cis159.3155.7-7.600000112.7
180Y41.1Very low39.3Very low206 Ų206133.9 Ų133.981%0.80876%0.762SS**  trans67155.3177.1-46.9-76.4000115.2
181Q39.5Very low38.8Very low155 Ų155134.3 Ų134.372%0.72476%0.76SS**  cis-156.2128.8-16.6-108.6160.10.900105.5
182Q35.6Very low38.6Very low174 Ų174133.8 Ų133.881%0.81376%0.764SS**  72.3139.383.9-162.5172.11300116.5
183S37.8Very low38.1Very low124 Ų124135.5 Ų135.587%0.86777%0.766SS**  trans77.3150.1-17979.90000116.1
184G37.4Very low38Very low74 Ų74136 Ų13676%0.76377%0.774SS**  cis-152.91710.600000113.2
185I34.4Very low37.7Very low163 Ų163135.6 Ų135.684%0.83678%0.778SS**  trans-106.8137.8-172.7-55.9163.8000110.3
186N38.2Very low37.5Very low168 Ų168132.9 Ų132.990%0.89878%0.782SS**  trans167.6151.5149.2-86-26.7000108.6
187G35.3Very low37.1Very low58 Ų58132.3 Ų132.360%0.59879%0.789SS**  cis163.3162.2-4.100000110.6
188S40.8Very low36.9Very low129 Ų129133.1 Ų133.190%0.90280%0.799SS**  trans72.7151.2174.8-53.30000117.6
189S36.2Very low36.7Very low101 Ų101136 Ų13671%0.70680%0.8SS**  cis-170.8153.9-26.9-171.20000110.3
190S37.5Very low37.1Very low105 Ų105139.8 Ų139.873%0.73481%0.807SS**  trans67.7144.8154.581.80000118.1
191T39.2Very low37.5Very low131 Ų131134.2 Ų134.280%0.80480%0.796SS**  cis-144.7166-5.3-36.20000110.4
192L34.5Very low37.5Very low154 Ų154134.8 Ų134.881%0.80680%0.796SS**  trans-76.5151.1178.3-57.7135000113.3
193Q34.4Very low37.9Very low198 Ų198133.9 Ų133.993%0.92579%0.792SS**  -164172.2121.8-112173.9-89.700113.1
194V37.7Very low38.3Very low128 Ų128134.1 Ų134.178%0.77678%0.784SS**  trans-122.8153.1-160.1172.20000110.5
195P37.4Very low38.5Very low130 Ų130137.1 Ų137.184%0.84478%0.782SS**  trans-70.4156.3-163.1-22.235.2000117.2
196G35.3Very low38.8Very low76 Ų76131.9 Ų131.978%0.78477%0.769SS**  trans-152.8160.8169.800000111.6
197M32.7Very low38.9Very low192 Ų192130 Ų13095%0.94676%0.764SS**  trans-99.7145.3-173-38.4100.27000113.4
198S36.5Very low39.2Very low124 Ų124134.1 Ų134.187%0.86778%0.777SS**  trans-166.1137.3144.657.90000114.8
199Y33.9Very low39.2Very low210 Ų210133.1 Ų133.182%0.82477%0.77SS**  trans-58.3164.7179-100.3-84.3000120
200N43.4Very low39.4Very low135 Ų135136.9 Ų136.972%0.72278%0.776SS**  trans71.5167.1140-87.3-6.5000121.6
201P48.9Very low39.5Very low89 Ų89141.6 Ų141.658%0.57878%0.784SS**  cis-132.4-167-24.835.2-16000112.7
202F40.7Very low39.5Very low167 Ų167140.5 Ų140.573%0.73278%0.782SS**  trans164.8110.8138.2-85.2-59.4000107.7
203E44.4Very low39.7Very low156 Ų156136.6 Ų136.673%0.72978%0.778SS**  68.8136.390.7-74.5176.5-151.400114.4
204N44.4Very low40.1Very low129 Ų129133.6 Ų133.669%0.6978%0.776SS**  cis-149.3-166.4-6.5-139.422.4000108.5
205D41.8Very low40.1Very low136 Ų136136.5 Ų136.573%0.72778%0.783SS**  cis-160.7163.311.1-147.1-42.8000111.4
206G41.2Very low39.9Very low54 Ų54133.8 Ų133.856%0.55778%0.78SS**  trans64.9151.2154.700000121.9
207T41.4Very low40.3Very low129 Ų129138 Ų13879%0.79178%0.783SS**  cis-167.7129.4-16.3-5.50000110.8
208V41.5Very low41.1Very low143 Ų143134.3 Ų134.387%0.86777%0.774SS**  trans52.7155.6164.2-58.40000118.8
209S40.3Very low41.5Very low109 Ų109133.4 Ų133.476%0.76277%0.765SS**  cis-145.5173.717.4-161.80000113.5
210E39.4Very low41.5Very low179 Ų179131.6 Ų131.684%0.83677%0.766SS**  trans-70.5146.1-168.7-53.5159.1113.200116.4
211F40.2Very low41.3Very low205 Ų205135.4 Ų135.490%0.89977%0.772SS**  -158.2157.6116.1-160.6-105.9000111
212S38.6Very low40.4Very low108 Ų108139 Ų13976%0.75578%0.781SS**  trans-113.5144.6-166.3-62.60000114.8
213G39.5Very low40.1Very low71 Ų71135.7 Ų135.773%0.73278%0.778SS**  trans-169.6129.1169.200000111.1
214P43.6Very low39.5Very low136 Ų136136.3 Ų136.388%0.88378%0.781SS**  trans-88.4159-163.434-36.7000115.3
215M36.3Very low39Very low188 Ų188135.2 Ų135.293%0.92678%0.783SS**  trans-70147.8176-60.5-141.2-58.700113.3
216G34.8Very low38.7Very low74 Ų74136.1 Ų136.176%0.76379%0.788SS**  trans-141.8115.2167.100000111.4
217L41.9Very low38.2Very low164 Ų164139 Ų13986%0.85980%0.8SS**PPolyproline II helixtrans-82.5136.8171.1-78163.3000110
218P50.3Low38Very low115 Ų115138.2 Ų138.275%0.74780%0.797SS**PPolyproline II helixtrans-70143.6170.229.7-33.5000110.9
219P44.3Very low37.7Very low105 Ų105142 Ų14268%0.68280%0.797SS**PPolyproline II helixtrans-84.7154.7-170.633.3-36.6000114.1
220M35.2Very low37.6Very low172 Ų172140.5 Ų140.585%0.84779%0.791SS**PPolyproline II helixtrans-63.4131.2160.8-79.2169.648.800110.7
221Y39.4Very low37.4Very low214 Ų214140.3 Ų140.384%0.83979%0.79SS**PPolyproline II helixtrans-97.5116.9167.7-103.7-91.6000111
222Q29.7Very low37.2Very low166 Ų166135.9 Ų135.978%0.77678%0.784SS**  trans-149.684168.9-159.7174.33800112.2
223S34.1Very low37.1Very low96 Ų96138.1 Ų138.167%0.67178%0.783SS**  trans-159.5135.3165.816.40000107.4
224H31.7Very low37.1Very low170 Ų170143.7 Ų143.779%0.78779%0.787SS**  cis112.6135.132.7-86.1128.9000108.8
225S34Very low36.7Very low106 Ų106141 Ų14174%0.74179%0.785SS**  trans67141.5-175.881.60000114.7
226N34.6Very low36.7Very low155 Ų155136 Ų13683%0.82978%0.781SS**  cis-134.1156.615.9-82.7-66.6000113.3
227S30.7Very low36.5Very low115 Ų115138 Ų13880%0.80478%0.783SS**  trans-147.2127.8166.3174.80000109.9
228P38.9Very low36.2Very low111 Ų111137.8 Ų137.872%0.72178%0.782SS**  trans-124.7105.8170.335-19.8000112.2
229Y33.8Very low35.5Very low224 Ų224137.4 Ų137.488%0.87879%0.788SS**  -176.1143.8116.3-119.7-107.2000112.7
230A37.9Very low35Very low76 Ų76136.3 Ų136.363%0.62880%0.797SS**  trans33.9142.4147.800000122.3
231Q36.3Very low34.8Very low176 Ų176133.9 Ų133.982%0.82280%0.796SS**  cis-175.4156.5-20.7-141.5169.5-11.500107
232S35.8Very low34.7Very low111 Ų111129.5 Ų129.578%0.77679%0.792SS**  trans63.2157.9169.374.30000117.8
233E35.9Very low35.1Very low155 Ų155130.2 Ų130.272%0.72479%0.792SS**  cis-163.4149.2-46.1-143.4162.9-134.700108.4
234F40.1Very low35.2Very low189 Ų189130.6 Ų130.683%0.82980%0.795SS**  trans60.9149.7-178.4-49.3-81.7000116.1
235G35Very low35.4Very low80 Ų80127.7 Ų127.783%0.82579%0.789SS**  cis128.8105.4-100000111.5
236G36.2Very low35.6Very low83 Ų83133.2 Ų133.286%0.85680%0.8SS**  trans145151.8179.300000112.7
237S31Very low35.7Very low115 Ų115132.1 Ų132.180%0.80479%0.79SS**  trans-141.5-179.7-175.4-169.50000111.2
238L36.4Very low36Very low159 Ų159134.5 Ų134.583%0.83279%0.786SS**  trans80110.6170.3-55.3174.6000118.3
239A34.5Very low36Very low107 Ų107136.3 Ų136.388%0.88479%0.789SS**  trans28.7110.8133.500000119.6
240G34.9Very low36.1Very low83 Ų83134.3 Ų134.386%0.85679%0.79SS**  trans-154.6110.4163.500000112
241S29.3Very low36.3Very low120 Ų120139.5 Ų139.584%0.83981%0.806SS**  trans-85.3135.4168.71780000109.7
242V39Very low36.7Very low122 Ų122140.2 Ų140.274%0.73981%0.807SS**  trans-178.4123.5136.31440000112.5
243K37.7Very low37.1Very low182 Ų182144 Ų14479%0.79181%0.809SS**  trans23.8123.7146.4-50.7173.4-177.4172.80120.7
244S36.3Very low37.4Very low104 Ų104146.8 Ų146.873%0.72782%0.819SS**  97.3138.2121.775.20000122.8
245T35.1Very low37.4Very low109 Ų109147.9 Ų147.967%0.66982%0.824SS**  trans52.186.1148.245.30000120.5
246K39Very low37.8Very low221 Ų221149 Ų14996%0.96182%0.819SS**  trans-136.685.4130.1-114.6165.6-171.5173.30112.2
247Q36Very low38.2Very low133 Ų133154.7 Ų154.762%0.62182%0.82SS**  trans-38.2144.4164.8-67.7-170.828.900115.9
248K36Very low38.4Very low165 Ų165157.4 Ų157.472%0.71783%0.825SS**  trans50.494.6135.5-56.3167.5-170.9159.20118.1
249N39.1Very low38.6Very low149 Ų149154 Ų15480%0.79781%0.814SS**  trans-176.280.3132.9-96.2-22000112.9
250M37.1Very low39Very low181 Ų181156.3 Ų156.389%0.89281%0.806SS**SBendtrans-150.6-36.6161.2-84.4-53.8-86.300112.9K252M250-K252 VanDerWaalsContact C-N 3.29Å; M250-K252 PolarHBondContact O-N 2.84Å
251L42.2Very low39.3Very low185 Ų185155.8 Ų155.897%0.96979%0.789SS**THydrogen-bonded Turntrans-78.364.3-171.4-154.776000113.8
252K44.1Very low40.2Very low191 Ų191155.4 Ų155.483%0.8378%0.782SS**THydrogen-bonded Turntrans-140.33.9-176.9-105-172.6178.8-176.60117.4M250M250-K252 VanDerWaalsContact C-N 3.29Å; M250-K252 PolarHBondContact O-N 2.84Å
253K45.2Very low40.7Very low191 Ų191155 Ų15583%0.8378%0.775SS**SBendtrans-118.22.5-171.9-76.3-169.5173.8-177.50118.2
254F42Very low41.4Very low214 Ų214151.3 Ų151.394%0.93976%0.764SS**SBendtrans-101.223.2-179.1-93.9-81.8000115.8
255K40.4Very low42Very low212 Ų212152.1 Ų152.192%0.92276%0.76SS**SBendtrans-119.478.9173.8-75.8-166.2172.2-169.30111.8
256S42.9Very low42.8Very low104 Ų104150 Ų15073%0.72775%0.754SS**SBendtrans-165.6-10.8169.158.20000116.7
257K43.3Very low43.4Very low202 Ų202143.7 Ų143.788%0.87873%0.728SS**  trans-131.569.6-175.4-67.4-169.1177.1-173.60113.6
258L36.9Very low44.1Very low172 Ų172140 Ų14090%0.90172%0.719SS**SBendtrans-116.1126.8152.6-106.3151.7000106.3
259S40.1Very low44.9Very low87 Ų87135 Ų13561%0.60871%0.709SS**  trans-73138.7-163.7-174.90000112.6S261S259-S261 PolarHBondContact O-N 2.71Å; S259-S261 VanDerWaalsContact O-N 3.11Å; S259-S261 VanDerWaalsContact OG-CB 3.32Å; S259-S261 WeakPolarHBondContact OG-CB 3.39Å; S259-S261 PolarHBondContact OG-N 3.01Å
260H42.4Very low45.6Very low155 Ų155130.6 Ų130.672%0.71869%0.694SS**G310 helixtrans-64.5-7.4169-81.1-92.7000113.5T262 L263H260-T262 VanDerWaalsContact C-N 3.27Å; H260-T262 PolarHBondContact O-N 2.95Å; H260-L263 PolarHBondContact O-N 3.38Å
261S41.4Very low46.5Very low72 Ų72129 Ų12950%0.50368%0.682SS.*G310 helixtrans-62.2-22.7-174.2-168.20000115.7S259S259-S261 PolarHBondContact O-N 2.71Å; S259-S261 VanDerWaalsContact O-N 3.11Å; S259-S261 VanDerWaalsContact OG-CB 3.32Å; S259-S261 WeakPolarHBondContact OG-CB 3.39Å; S259-S261 PolarHBondContact OG-N 3.01Å
262T47.7Very low47.3Very low112 Ų112129.5 Ų129.569%0.68768%0.676SS**G310 helixtrans-86.9-30.2-17849.20000113.5H260 L265 A266H260-T262 VanDerWaalsContact C-N 3.27Å; H260-T262 PolarHBondContact O-N 2.95Å; T262-L265 PolarHBondContact O-N 2.92Å; T262-A266 PolarHBondContact O-N 3.28Å
263L49.9Very low47.7Very low114 Ų114124.7 Ų124.760%0.59767%0.672SS**Hα-helixtrans-72-42.7-178.3-151.8162000110.7H260 L265 A266 E267H260-L263 PolarHBondContact O-N 3.38Å; L263-L265 PolarHBondContact O-N 3.13Å; L263-A266 PolarHBondContact O-N 3.24Å; L263-E267 PolarHBondContact O-N 3.46Å
264N53.2Low47.7Very low104 Ų104118.9 Ų118.956%0.55666%0.659SS**Hα-helixtrans-62.7-28.5176.3-69.84000113.2A268N264-A268 WeakPolarHBondContact O-CB 3.35Å; N264-A268 PolarHBondContact O-N 2.96Å
265L48Very low47.4Very low122 Ų122111.5 Ų111.564%0.63964%0.644SS**Hα-helixtrans-74-39.8175.6-91.4163.9000112.1T262 L263 A268 A269T262-L265 PolarHBondContact O-N 2.92Å; L263-L265 PolarHBondContact O-N 3.13Å; L265-A268 PolarHBondContact O-N 3.31Å; L265-A269 WeakPolarHBondContact O-CB 3.09Å; L265-A269 PolarHBondContact O-N 2.96Å
266A52.2Low47.5Very low65 Ų65111.8 Ų111.854%0.53765%0.645SS.*Hα-helixtrans-64-42.3172.500000111.6T262 L263 A269 A270T262-A266 PolarHBondContact O-N 3.28Å; L263-A266 PolarHBondContact O-N 3.24Å; A266-A269 PolarHBondContact O-N 2.82Å; A266-A270 WeakPolarHBondContact O-CB 3.29Å; A266-A270 PolarHBondContact O-N 3.23Å
267E50.4Low47.4Very low88 Ų88112.4 Ų112.441%0.41164%0.64SS.*Hα-helixtrans-68.2-39.5176.8-160.4-167.5133.100112.3L263 A270 K271L263-E267 PolarHBondContact O-N 3.46Å; E267-A270 PolarHBondContact O-N 2.62Å; E267-K271 HydrophobicContact CG-CD 4.41Å; E267-K271 WeakPolarHBondContact O-CB 3.31Å; E267-K271 PolarHBondContact O-N 2.74Å; E267-K271 WeakPolarHBondContact OE1-CE 3.46Å; E267-K271 IonicContact OE1-NZ 3.88Å; E267-K271 PolarHBondContact OE1-NZ 2.97Å
268A52.3Low47.4Very low54 Ų54108.4 Ų108.445%0.44664%0.635SS.*Hα-helixtrans-67-36.6175.600000112.6N264 L265 K272N264-A268 WeakPolarHBondContact O-CB 3.35Å; N264-A268 PolarHBondContact O-N 2.96Å; L265-A268 PolarHBondContact O-N 3.31Å; A268-K272 PolarHBondContact O-N 2.61Å; A268-K272 VanDerWaalsContact O-N 3.09Å
269A52.3Low47.5Very low60 Ų60109.8 Ų109.850%0.49663%0.63SS.*Hα-helixtrans-64.6-47.5172.100000111.1L265 A266 K271 K272 A273L265-A269 WeakPolarHBondContact O-CB 3.09Å; L265-A269 PolarHBondContact O-N 2.96Å; A266-A269 PolarHBondContact O-N 2.82Å; A269-K271 VanDerWaalsContact C-N 3.35Å; A269-K271 PolarHBondContact O-N 3.24Å; A269-K272 PolarHBondContact O-N 3.39Å; A269-K272 VanDerWaalsContact O-N 3.07Å; A269-A273 PolarHBondContact O-N 3.13Å
270A53.3Low47.6Very low58 Ų58114.7 Ų114.748%0.47964%0.641SS.*Hα-helixtrans-58.4-43.9175.500000112.1A266 E267 K272 A273 A274A266-A270 WeakPolarHBondContact O-CB 3.29Å; A266-A270 PolarHBondContact O-N 3.23Å; E267-A270 PolarHBondContact O-N 2.62Å; A270-K272 VanDerWaalsContact C-N 3.26Å; A270-K272 PolarHBondContact O-N 3.45Å; A270-A273 PolarHBondContact O-N 3.31Å; A270-A274 VanDerWaalsContact O-CB 3.29Å; A270-A274 WeakPolarHBondContact O-CB 3.34Å; A270-A274 PolarHBondContact O-N 3.1Å
271K55.5Low47.4Very low148 Ų148116.6 Ų116.664%0.64365%0.65SS**Hα-helixtrans-71.5-11176-78.4175.4171.91690115E267 A269E267-K271 HydrophobicContact CG-CD 4.41Å; E267-K271 WeakPolarHBondContact O-CB 3.31Å; E267-K271 PolarHBondContact O-N 2.74Å; E267-K271 WeakPolarHBondContact OE1-CE 3.46Å; E267-K271 IonicContact OE1-NZ 3.88Å; E267-K271 PolarHBondContact OE1-NZ 2.97Å; A269-K271 VanDerWaalsContact C-N 3.35Å; A269-K271 PolarHBondContact O-N 3.24Å
272K59.1Low47.2Very low194 Ų194117.9 Ų117.984%0.84366%0.659SS**Hα-helixtrans-95.7-30.8169.4-105.2-171.7173.2-173.80113.3A268 A269 A270A268-K272 PolarHBondContact O-N 2.61Å; A268-K272 VanDerWaalsContact O-N 3.09Å; A269-K272 PolarHBondContact O-N 3.39Å; A269-K272 VanDerWaalsContact O-N 3.07Å; A270-K272 VanDerWaalsContact C-N 3.26Å; A270-K272 PolarHBondContact O-N 3.45Å
273A52.5Low46.9Very low90 Ų90120.4 Ų120.474%0.74467%0.667SS**Hα-helixtrans-76.4-31.9173.900000112.2A269 A270 G275A269-A273 PolarHBondContact O-N 3.13Å; A270-A273 PolarHBondContact O-N 3.31Å; A273-G275 PolarHBondContact O-N 3.07Å
274A45.1Very low46.4Very low69 Ų69123.5 Ų123.557%0.5768%0.678SS**SBendtrans-7092170.600000110.8A270A270-A274 VanDerWaalsContact O-CB 3.29Å; A270-A274 WeakPolarHBondContact O-CB 3.34Å; A270-A274 PolarHBondContact O-N 3.1Å
275G36.5Very low45.8Very low60 Ų60128.9 Ų128.962%0.61970%0.697SS**  trans-54.1154163.400000111.2A273 D277A273-G275 PolarHBondContact O-N 3.07Å; G275-D277 VanDerWaalsContact C-N 3.33Å; G275-D277 PolarHBondContact O-N 2.97Å
276K41.7Very low45.1Very low218 Ų218126.4 Ų126.495%0.94870%0.701SS**  trans-67.981.9-172.8-65.7-179.7-179.7177.10112.8
277D41.1Very low44.3Very low117 Ų117129.3 Ų129.363%0.62672%0.718SS**  trans-96.2116.9168.1-164.2-30.8000110G275 Y279G275-D277 VanDerWaalsContact C-N 3.33Å; G275-D277 PolarHBondContact O-N 2.97Å; D277-Y279 PolarHBondContact O-N 2.8Å; D277-Y279 VanDerWaalsContact O-N 3.13Å; D277-Y279 PolarHBondContact OD1-N 3.23Å
278P43.7Very low43.5Very low118 Ų118135.3 Ų135.377%0.76674%0.742SS**G310 helixtrans-65.3-10.7-176-23.735.2000116.1F280P278-F280 PolarHBondContact O-N 3.26Å
279Y39.7Very low42.9Very low201 Ų201138.5 Ų138.579%0.78876%0.761SS**G310 helixtrans-79.1-9.1-161.9-130.4-93.6000116.7D277D277-Y279 PolarHBondContact O-N 2.8Å; D277-Y279 VanDerWaalsContact O-N 3.13Å; D277-Y279 PolarHBondContact OD1-N 3.23Å
280F40.9Very low41.9Very low190 Ų190143.2 Ų143.283%0.83378%0.778SS**G310 helixtrans-98.77.1-167.6-103.9-84.9000116.8P278P278-F280 PolarHBondContact O-N 3.26Å
281Q39.6Very low41.1Very low194 Ų194148.1 Ų148.191%0.90780%0.796SS**  trans-96.818.1-166.1-148169.441.500116.1
282S36.7Very low40Very low100 Ų100152.6 Ų152.670%0.69981%0.808SS**  trans-113.7-5.6-169.357.30000116.7
283L41.1Very low38.6Very low165 Ų165146.7 Ų146.786%0.86480%0.802SS**  trans-102.434.1-169.6-91.2166.6000115.9
284E40.2Very low37.8Very low178 Ų178148.3 Ų148.383%0.83281%0.809SS**  trans-134.285.1168-73.7-162.1134.100112.6
285K40.1Very low37Very low217 Ų217153.9 Ų153.994%0.94382%0.823SS**  trans-179.5135.9149.9-98.2140.7-161.5165.30113
286G33.2Very low37Very low71 Ų71158.9 Ų158.973%0.73284%0.835SS**  trans84.1147.8169.400000115
287S36.2Very low36.7Very low126 Ų126152.9 Ų152.988%0.88182%0.82SS**  cis-152.4155.5-9.6-84.70000110.4
288K33Very low36.4Very low214 Ų214155.5 Ų155.593%0.9383%0.832SS**  trans-100.6130.9177.5-63.8178-178.4176.10111.2
289S40.1Very low35.7Very low120 Ų120153.6 Ų153.684%0.83983%0.834SS**  trans-152.2148.3160.3510000110.6
290N30.3Very low35.2Very low159 Ų159148.1 Ų148.185%0.8584%0.839SS**  trans-103.7162-174-57.3-78.1000111.6
291L37.5Very low34.9Very low162 Ų162145.4 Ų145.485%0.84884%0.843SS**  trans167.7121.9146.8-89.3158000105.4
292R32.1Very low34.5Very low241 Ų241140.8 Ų140.891%0.90983%0.832SS**  cis59.9109.749.3-157.6-173.3-159-117.27.2111.4
293G28.5Very low34Very low70 Ų70146.1 Ų146.172%0.72284%0.839SS**  cis144.9135.7-5.500000111.7
294S36Very low33.6Very low125 Ų125149.2 Ų149.287%0.87484%0.839SS**  trans-144.6150.7179.6-67.20000112.3
295Q29.8Very low32.9Very low185 Ų185148.2 Ų148.286%0.86484%0.839SS**  trans-108.4-172172.7-72.4-170.6-14.100111.4
296L34.9Very low32.4Very low166 Ų166143.7 Ų143.787%0.86983%0.83SS**  trans97137.1179-57.8169.7000114.4
297S34.9Very low32.1Very low92 Ų92147.8 Ų147.864%0.64383%0.834SS**  cis-163.7149-27.9-127.70000111.2
298I34.9Very low31.8Very low171 Ų171147 Ų14788%0.87783%0.828SS**  trans25.9119.2152.6-54.2171.2000118.7
299G30.7Very low31.7Very low79 Ų79143.3 Ų143.381%0.81482%0.823SS**  trans168.8102.5160.600000113.4
300G27.8Very low31.2Very low86 Ų86148.6 Ų148.689%0.88783%0.825SS**  trans-98.5138.4-177.400000113.9
301S34.6Very low31.2Very low132 Ų132147.1 Ų147.192%0.92382%0.824SS**  trans-151.6166.9163-167.10000110.7
302S31.9Very low30.9Very low97 Ų97144.2 Ų144.268%0.67882%0.817SS**  trans-100.7141.3-158.8-172.90000114.5
303Y27Very low31Very low213 Ų213140 Ų14084%0.83582%0.818SS**  trans36.4110.9156.8-82.8-105.9000119.3
304R31.2Very low31.2Very low230 Ų230142.3 Ų142.387%0.86882%0.818SS**  -173.6140.9101.4-105.2-175.5173.5-153.1-4113.8T306R304-T306 PolarHBondContact O-N 3.13Å
305D25.9Very low31Very low156 Ų156141.3 Ų141.383%0.83481%0.811SS**  trans-64.4121.8176.4-57.7-79.3000112.8
306T30.1Very low31.1Very low122 Ų122136.7 Ų136.775%0.74880%0.799SS**  trans-153.9137.7158.6-2.80000112.9R304R304-T306 PolarHBondContact O-N 3.13Å
307L27.2Very low31Very low157 Ų157135.9 Ų135.982%0.82280%0.796SS**  trans82153.3153.4-60.9169.9000121.6
308C28.4Very low31Very low111 Ų111138.7 Ų138.775%0.7580%0.803SS**  trans69116.8164.1-66.80000118.4
309T32.1Very low30.9Very low135 Ų135135.8 Ų135.883%0.82879%0.794SS**  cis105.2136.230.6-67.30000111.5
310R28.6Very low31Very low231 Ų231138.4 Ų138.487%0.87279%0.789SS**PPolyproline II helixtrans-60.4154.6-172.7-68.9174.8165.9176.5-6.5114.2
311P30.8Very low31.4Very low128 Ų128139.6 Ų139.683%0.83178%0.779SS**PPolyproline II helixtrans-65.5157.5156.432.4-35.5000111
312S31.5Very low31.2Very low102 Ų102140 Ų14071%0.71377%0.771SS**PPolyproline II helixtrans-95.7154.4-176.951.50000113.6
313V35Very low31.3Very low153 Ų153146.5 Ų146.593%0.92778%0.782SS**  trans-126.1145.8148.3-179.70000106.1
314V31.5Very low31.2Very low117 Ų117145.7 Ų145.771%0.70978%0.778SS**  trans-115.1165.3-163.1175.30000111
315S32.8Very low31.3Very low105 Ų105143.1 Ų143.173%0.73477%0.769SS**  trans90.2140.4169.4-72.50000117.8
316S31.9Very low31.5Very low87 Ų87142 Ų14261%0.60876%0.763SS**  cis-165146.9-16.7-103.30000109.8
317N32.9Very low31.6Very low150 Ų150140.7 Ų140.780%0.80276%0.755SS**  trans46.7129.4153.5-50.3-3.9000117.9
318N33.6Very low31.8Very low151 Ų151140.7 Ų140.781%0.80776%0.756SS**  -159.5170.560.9-151.71.8000113.6
319T33.2Very low32Very low110 Ų110140.5 Ų140.568%0.67576%0.756SS**  trans-75.8164.2174.355.40000110.9
320N32.4Very low32Very low134 Ų134145 Ų14572%0.71776%0.758SS**  -168.1157.555-138.3-0.7000116.5
321T36.6Very low32.2Very low110 Ų110140.9 Ų140.968%0.67575%0.752SS**  trans35.8122.6152.848.10000123.4
322N31.2Very low32.4Very low142 Ų142140.6 Ų140.676%0.75975%0.748SS**  trans-20.4150.8142.1-58.4-75.3000117.7
323Y32.8Very low32.4Very low233 Ų233141.5 Ų141.591%0.91475%0.751SS**  -155.7178.5106.5-100.3-66.6000111.2
324R26.7Very low32.4Very low195 Ų195140.1 Ų140.174%0.73675%0.746SS**  trans-146.2153.6-155.5-162.7179.5-174.8-164.26.5111.6
325Y32.7Very low32.4Very low177 Ų177138.9 Ų138.969%0.69475%0.748SS**  trans88.1104.2167.8-62.5-70.2000120.5
326N30.4Very low32.2Very low132 Ų132140.1 Ų140.171%0.70675%0.75SS**  79.8119.3106.4-136.447000122.3
327T32.3Very low32.2Very low95 Ų95144 Ų14458%0.58376%0.763SS**  trans57125.4140.9530000121.8
328N30.8Very low31.9Very low156 Ų156144.4 Ų144.483%0.83476%0.764SS**  trans71.2140.2148.5-60.6-20.6000116.2
329S32.9Very low31.8Very low108 Ų108142.5 Ų142.576%0.75576%0.763SS**  cis-157.5152.74.646.40000113
330R31.1Very low31.7Very low229 Ų229147.1 Ų147.186%0.86477%0.774SS**  trans47.4135.7145.5-105.7-175.8-174.8-152.81.2122
331L33.4Very low31.5Very low144 Ų144144.3 Ų144.375%0.75478%0.776SS**  trans99.3109.8148.1-62.9160000120
332V35.4Very low31.4Very low123 Ų123147.5 Ų147.575%0.74579%0.787SS**  trans59.5116.1137.4-170.10000120.2
333P31.2Very low31.4Very low120 Ų120149.1 Ų149.178%0.77979%0.79SS**  trans-99.5158.3164.338.5-32.4000113.5
334P35.1Very low31.2Very low124 Ų124143.5 Ų143.581%0.80579%0.785SS**  trans-128.7129.2157.835.3-21.8000115.3
335A31.7Very low31.6Very low91 Ų91140.2 Ų140.275%0.75279%0.792SS**  trans22.6126.3146.300000124
336V28.3Very low31.4Very low131 Ų131136 Ų13679%0.79479%0.793SS**  52117.9122.9-173.40000120.6
337I31.7Very low31.7Very low170 Ų170138.7 Ų138.787%0.87280%0.802SS**  trans-133.3143.3138.5-63.1-176.2000108.8
338L26Very low31.8Very low157 Ų157142.4 Ų142.482%0.82281%0.81SS**  trans-128.4132.1177.5-179.891.2000109.4
339S32.3Very low32Very low112 Ų112142.3 Ų142.378%0.78381%0.808SS**  trans-159.5114.7163.7-86.50000115.5
340K31.6Very low32Very low207 Ų207142.4 Ų142.490%0.981%0.809SS**  trans12.6118.5146.1-57.8176.7-179.9179.70120.1
341G26.8Very low32.2Very low75 Ų75135.7 Ų135.777%0.77380%0.797SS**  85.7135.6102.100000120.4
342I35.6Very low32.2Very low177 Ų177135.2 Ų135.291%0.90880%0.801SS**  trans-160156.5152.8-103.6156.5000107.7
343E30.4Very low32.2Very low175 Ų175134.3 Ų134.382%0.81880%0.8SS**  trans-108.7158.9-161.8-60173.4110.400115.4
344S28.2Very low32.3Very low116 Ų116136.8 Ų136.881%0.81180%0.801SS**  trans67.5124.3145.974.20000121.2
345S35.3Very low32.3Very low125 Ų125138.8 Ų138.887%0.87480%0.804SS**  -159.4147.3125.648.20000108.3
346A29Very low32.1Very low88 Ų88140.9 Ų140.973%0.72780%0.802SS**  trans-146.5122-166.100000114.4
347H36.7Very low32.4Very low190 Ų190142.6 Ų142.688%0.8881%0.806SS**  trans-152.2154.3165.5-63-59.2000110
348K34.9Very low32.3Very low173 Ų173139 Ų13975%0.75280%0.796SS**  cis-169.9156.5-38-160.9-176.3178.1-179.20106.6
349L33.6Very low32.8Very low153 Ų153137.1 Ų137.180%0.80179%0.791SS**  trans70.9159.2171.5-48.6175.7000113.6
350S33Very low32.8Very low110 Ų110140.2 Ų140.277%0.76979%0.793SS**  cis-174.5160.9-33.7-139.50000104.9
351S35.7Very low33Very low89 Ų89135.2 Ų135.262%0.62278%0.782SS**  cis-164.9148.41147.40000110.2
352T33.4Very low33.5Very low134 Ų134140 Ų14082%0.82279%0.788SS**  trans40.5144.7142600000121.6
353S35.8Very low33.3Very low104 Ų104138.3 Ų138.373%0.72778%0.781SS**  cis-152.9146.317.546.70000109.8
354Q33.4Very low33.6Very low172 Ų172135.1 Ų135.180%0.80477%0.773SS**  40.1135.692.9-68.7-167.24.700115.1
355L34.6Very low33.9Very low165 Ų165137.1 Ų137.186%0.86478%0.775SS**  cis-130.5167.842.9-78.3162000116.7
356D28.6Very low34Very low135 Ų135135 Ų13572%0.72277%0.772SS**  trans-106.9164.1173.7176.926.5000110
357L34.3Very low34.2Very low167 Ų167137.8 Ų137.887%0.87478%0.775SS**  trans172.4114.5143.7-96.8159.9000112.4
358S29.6Very low34.2Very low95 Ų95138.6 Ų138.666%0.66477%0.772SS**  trans-92.8156.2162.21760000111
359T36.1Very low34.7Very low117 Ų117135.2 Ų135.272%0.71877%0.768SS**  145.8104.1126.2-59.60000114.4
360Q31.8Very low34.8Very low177 Ų177132.7 Ų132.783%0.82776%0.763SS**  trans64.7154.6150.1-58.9-67.6-2.900121.1
361P36.7Very low35.1Very low102 Ų102135.8 Ų135.866%0.66277%0.765SS**  trans-107.3167.4-17641-35.1000114.6
362I36.2Very low35Very low176 Ų176136.1 Ų136.190%0.90377%0.767SS**  trans-159.7149.4135.1-101.5151.3000111.3
363N32.3Very low35.1Very low142 Ų142136.2 Ų136.276%0.75976%0.762SS**  trans-63176.8-167-166.411.7000118.4
364V37.3Very low34.9Very low107 Ų107141 Ų14165%0.64877%0.765SS**  trans102.9102155.3-168.30000120
365N34.7Very low35.2Very low159 Ų159138.9 Ų138.985%0.8577%0.767SS**  trans37.8133.6140.7-55.1-9.3000123.6
366G35.5Very low35.1Very low80 Ų80139.7 Ų139.783%0.82576%0.759SS**  trans177.4115.3158.300000115.9
367N33.6Very low35.5Very low147 Ų147142.7 Ų142.779%0.78677%0.768SS**  trans-73.1142.5-175.5-85.1-8.8000116
368Y38Very low35.4Very low206 Ų206140.2 Ų140.281%0.80876%0.756SS**  31.1163.5124.9-59.7-61.1000122.9
369P44.3Very low35.7Very low102 Ų102141.9 Ų141.966%0.66277%0.768SS**  cis-149.5-172.7-43.543.8-25.8000116.1
370S36.2Very low35.8Very low100 Ų100140 Ų14070%0.69977%0.772SS**  trans90.4146.9134-73.80000124.9
371Q38.5Very low36Very low176 Ų176141.4 Ų141.482%0.82278%0.775SS**  trans75.1151.1161-46.4-142.726.200117.1
372S34.7Very low35.8Very low95 Ų95141.6 Ų141.666%0.66478%0.779SS**  cis-174.8-169.9-18.257.70000108.2
373L35.4Very low35.8Very low136 Ų136145.2 Ų145.271%0.71278%0.781SS**  cis-162.897.50.3-140.3150.8000112.4
374Y30.8Very low35.7Very low204 Ų204145.9 Ų145.980%0.878%0.783SS**  trans67.2-179152.3-81.4-86.1000119.3
375P39.2Very low35.6Very low128 Ų128146.1 Ų146.183%0.83179%0.789SS**  cis-132.9178.318.442.8-22.7000120.7
376R32.3Very low35.6Very low183 Ų183144.2 Ų144.269%0.69179%0.788SS**  trans-79.1168.2-176.7-78.4-171.7177.5-173.84.3115.1D378R376-D378 WeakPolarHBondContact CD-OD1 3.45Å; R376-D378 IonicContact CZ-OD1 3.54Å; R376-D378 IonicContact NE-OD1 2.81Å; R376-D378 IonicContact NH1-OD1 3.19Å; R376-D378 PolarHBondContact NH1-OD1 2.86Å; R376-D378 IonicContact NH1-OD2 2.78Å
377Q38.1Very low35.5Very low198 Ų198146.1 Ų146.193%0.92579%0.789SS**  trans-126.1153.3134.5-67.6-172.4-200110.3
378D32.9Very low35.4Very low115 Ų115143.9 Ų143.962%0.61579%0.785SS**  trans-117.2153.1-176.1-66.3-65.7000112.3R376R376-D378 WeakPolarHBondContact CD-OD1 3.45Å; R376-D378 IonicContact CZ-OD1 3.54Å; R376-D378 IonicContact NE-OD1 2.81Å; R376-D378 IonicContact NH1-OD1 3.19Å; R376-D378 PolarHBondContact NH1-OD1 2.86Å; R376-D378 IonicContact NH1-OD2 2.78Å
379S35.7Very low35.1Very low130 Ų130142.8 Ų142.891%0.90979%0.785SS**  trans162.6157.9136.9520000113.5
380G38.5Very low34.6Very low78 Ų78143.8 Ų143.880%0.80478%0.784SS**  trans133.4115.7169.400000114.1
381K35.8Very low34.7Very low206 Ų206146.2 Ų146.290%0.89679%0.789SS**  trans-111.8138.4-174.8-66.4175.7179.7175.10113
382S31.9Very low34.5Very low106 Ų106146.1 Ų146.174%0.74179%0.788SS**  trans45.2131140.9-170.10000121.4
383R36.9Very low34.5Very low252 Ų252151 Ų15195%0.95180%0.801SS**  trans-155.9139.8132.4-110.3170.3-160.8-166.64.3112.3
384I29.8Very low34.4Very low155 Ų155147.7 Ų147.780%0.79580%0.8SS**  trans-114.5141.1172.3-63166.9000107.4
385S35.3Very low34.6Very low112 Ų112145 Ų14578%0.78381%0.805SS**  trans-165117.8156.9-92.90000112.9
386S35.1Very low34.3Very low119 Ų119143.3 Ų143.383%0.83280%0.801SS**  trans60.9145.1139.6-47.90000120.4
387S32.4Very low34.2Very low120 Ų120140.9 Ų140.984%0.83981%0.807SS**  cis-142.5140.211.753.20000113.1
388S30.7Very low34Very low101 Ų101136.6 Ų136.671%0.70680%0.796SS**  trans-106.5159.7172.853.20000112.1
389F32.3Very low34.1Very low182 Ų182138 Ų13880%0.79880%0.803SS**  trans-176.4110.5141.4-109.3-89.1000103.9
390L34.8Very low34Very low124 Ų124140.4 Ų140.465%0.64980%0.799SS**  65.6139.382.1-69.5170.4000112.3
391D38Very low33.7Very low151 Ų151145.9 Ų145.981%0.80780%0.804SS**  cis-125.217524.4-83.2-56.7000116.3
392E33.8Very low33.3Very low173 Ų173147.1 Ų147.181%0.80880%0.803SS**  trans-123.5121.2-176.3-178.6-174.2160.600111.8
393Q35.6Very low33.5Very low197 Ų197148.3 Ų148.392%0.92181%0.806SS**  trans176.4131.7165.6-103.1151.797.200108.6
394G32.3Very low33.2Very low68 Ų68144.5 Ų144.570%0.70180%0.804SS**  cis173.2166.8-10.800000111.8
395V34.4Very low33.4Very low147 Ų147140.4 Ų140.489%0.89180%0.801SS**  trans76.8112161.8-171.10000119.7
396A33.9Very low33.2Very low92 Ų92142.8 Ų142.876%0.7681%0.81SS**  trans64.5109.1145.200000123
397T30.3Very low33.1Very low133 Ų133140 Ų14082%0.81680%0.801SS**  trans-77.3161.4137.352.60000111
398P34.4Very low33.1Very low108 Ų108143.7 Ų143.770%0.70180%0.804SS**  -147.8138.4113.735.8-19.6000117.6
399I34.5Very low33.2Very low145 Ų145145.6 Ų145.674%0.74481%0.812SS**  54.495.5127.1-50.3173.5000118.7
400Q32.7Very low33.1Very low180 Ų180142.6 Ų142.684%0.84181%0.813SS**  38.9105.8116.2-169.9179.825.400119.1
401Q33.1Very low33.1Very low192 Ų192141.3 Ų141.390%0.89782%0.82SS**  trans-134.4147.3148.7-102.7-176.8-8.900110.9
402R27.8Very low32.8Very low232 Ų232138.2 Ų138.288%0.87582%0.816SS**  trans-88.4132.8172.1-73.4175.9169.8172.2-6.2109.6
403T36.1Very low32.9Very low132 Ų132136 Ų13681%0.8182%0.816SS**  trans-146.3116.4154.548.80000109
404D30.7Very low32.9Very low171 Ų171135.4 Ų135.491%0.91481%0.811SS**  trans-68.7127165.1-57.2-77.6000108.7
405G34.1Very low32.9Very low70 Ų70140.8 Ų140.872%0.72282%0.818SS**  trans-169.3117.1-176.100000112.2G407G405-G407 PolarHBondContact O-N 3.01Å
406V31.3Very low32.8Very low162 Ų162138.3 Ų138.398%0.98281%0.807SS**  trans-68.1120.9169.3-81.10000109.6
407G32.7Very low32.9Very low61 Ų61140.5 Ų140.563%0.62981%0.813SS**  trans-152.4128.2178.400000110.8G405 V409G405-G407 PolarHBondContact O-N 3.01Å; G407-V409 PolarHBondContact O-N 2.93Å
408E31Very low33.1Very low196 Ų196136.6 Ų136.692%0.91680%0.8SS**  trans-72.9112.4-179.7-64.1175.7113.700110.3S410E408-S410 PolarHBondContact O-N 2.71Å
409V33.3Very low32.9Very low142 Ų142136.7 Ų136.786%0.86180%0.803SS**  trans-90.396.2173.4-134.70000109.1G407 A411G407-V409 PolarHBondContact O-N 2.93Å; V409-A411 PolarHBondContact O-N 3.19Å
410S30.4Very low33Very low118 Ų118138.6 Ų138.683%0.82581%0.806SS**  trans-65.798.2172.2-56.70000110.6E408 A412E408-S410 PolarHBondContact O-N 2.71Å; S410-A412 PolarHBondContact O-N 3.22Å
411A34.4Very low33.3Very low97 Ų97137.6 Ų137.680%0.80280%0.801SS**  trans-71.7109.1168.900000109.5V409V409-A411 PolarHBondContact O-N 3.19Å
412A31.9Very low33.4Very low86 Ų86135 Ų13571%0.71180%0.798SS**  trans-63143.8175.500000110.9S410 F414S410-A412 PolarHBondContact O-N 3.22Å; A412-F414 PolarHBondContact O-N 3.38Å
413P35.9Very low33.8Very low126 Ų126127.3 Ų127.382%0.81878%0.78SS**  trans-64.5118.7179.4-2032.4000111.4E415P413-E415 PolarHBondContact O-N 2.78Å
414F35.8Very low33.9Very low185 Ų185124.8 Ų124.881%0.81177%0.773SS**  trans-80.1109.1169.5-171.6-91.9000109.2A412 S416A412-F414 PolarHBondContact O-N 3.38Å; F414-S416 PolarHBondContact O-N 3.45Å; F414-S416 PolarHBondContact O-OG 2.94Å
415E31.3Very low34Very low181 Ų181126.6 Ų126.685%0.84677%0.773SS**  trans-61.397.4-176.6-65-170.714600111.8P413 P417P413-E415 PolarHBondContact O-N 2.78Å; E415-P417 WeakPolarHBondContact O-CD 3.5Å
416S33.6Very low34.1Very low96 Ų96125.9 Ų125.967%0.67177%0.766SS**  trans-92.6113.9175.9-620000109.7F414 G418F414-S416 PolarHBondContact O-N 3.45Å; F414-S416 PolarHBondContact O-OG 2.94Å; S416-G418 PolarHBondContact O-N 3.08Å
417P36.1Very low34.4Very low137 Ų137122.6 Ų122.689%0.8976%0.755SS**SBendtrans-76.3115.7-172.528.8-34.4000112.2E415E415-P417 WeakPolarHBondContact O-CD 3.5Å
418G33.7Very low35Very low51 Ų51123.5 Ų123.553%0.52674%0.743SS.*  trans100.684.8166.800000115.1S416 F420S416-G418 PolarHBondContact O-N 3.08Å; G418-F420 VanDerWaalsContact C-N 3.33Å; G418-F420 PolarHBondContact O-N 3.37Å
419S31.4Very low35.9Very low110 Ų110118.9 Ų118.977%0.76973%0.731SS**  trans-68.887.9162.41690000110.1
420F36.2Very low36.9Very low186 Ų186118.8 Ų118.882%0.81673%0.725SS**  trans-93125.5170.2-73.3-79.4000110.6G418G418-F420 VanDerWaalsContact C-N 3.33Å; G418-F420 PolarHBondContact O-N 3.37Å
421H38Very low38.4Very low159 Ų159114.1 Ų114.174%0.73669%0.691SS**  trans-66.9132.4-171.9-63.9-92.8000112.5S423H421-S423 VanDerWaalsContact C-N 3.32Å; H421-S423 PolarHBondContact O-N 2.81Å
422T34.7Very low40.1Very low136 Ų136119.1 Ų119.183%0.83469%0.689SS**  trans-75.275.9177.349.10000111.8
423S36.5Very low42.1Very low71 Ų71116.8 Ų116.850%0.49767%0.667SS.*  trans-80.1135166.4560000111H421 Q428H421-S423 VanDerWaalsContact C-N 3.32Å; H421-S423 PolarHBondContact O-N 2.81Å; S423-Q428 PolarHBondContact OG-NE2 2.73Å
424A38.5Very low43.9Very low80 Ų80117.1 Ų117.166%0.66167%0.672SS**  trans-58.2162.217800000113.4G426A424-G426 PolarHBondContact O-N 2.89Å
425F33Very low46.2Very low209 Ų209113 Ų11392%0.91765%0.653SS**SBendtrans-5184.5-167.4-71.3-90.8000115.9
426G35.6Very low48.5Very low55 Ų55107.7 Ų107.757%0.56764%0.635SS**SBendtrans-152.6153.9169.100000109.2A424 Q428A424-G426 PolarHBondContact O-N 2.89Å; G426-Q428 PolarHBondContact O-N 2.83Å
427A38.4Very low50.7Low92 Ų92107.7 Ų107.776%0.7663%0.626SS**  trans-60.8127.7175.900000109.7
428Q45.6Very low52.9Low80 Ų80108.5 Ų108.537%0.37462%0.618SS.*  trans-50.4140.5172.6-98.7-82.2-38.500109.5S423 G426 D430 D431S423-Q428 PolarHBondContact OG-NE2 2.73Å; G426-Q428 PolarHBondContact O-N 2.83Å; Q428-D430 PolarHBondContact O-N 3.37Å; Q428-D430 VanDerWaalsContact O-N 3.15Å; Q428-D431 HydrophobicContact CB-CB 3.95Å; Q428-D431 WeakPolarHBondContact O-CB 3.45Å; Q428-D431 PolarHBondContact O-N 2.89Å
429P49.8Very low55.5Low100 Ų100111.2 Ų111.265%0.64962%0.621SS**G310 helixtrans-57.5-30.2179.323.2-33.5000112.4
430D54.7Low58.2Low140 Ų140107.4 Ų107.475%0.74959%0.591SS**G310 helixtrans-82.3-13.7176.7-60.7-39.3000114Q428 R432Q428-D430 PolarHBondContact O-N 3.37Å; Q428-D430 VanDerWaalsContact O-N 3.15Å; D430-R432 PolarHBondContact O-N 3.36Å
431D61.4Low60.8Low20 Ų20102.3 Ų102.311%0.10758%0.575CS.*G310 helixtrans-83.314.7175.2-126.4-19.7000111.8Q428 Y448 H451 S455Q428-D431 HydrophobicContact CB-CB 3.95Å; Q428-D431 WeakPolarHBondContact O-CB 3.45Å; Q428-D431 PolarHBondContact O-N 2.89Å; D431-Y448 WeakPolarHBondContact O-CE2 3.26Å; D431-Y448 PolarHBondContact O-OH 2.81Å; D431-H451 IonicContact OD1-CE1 3.47Å; D431-H451 PolarHBondContact OD1-CE1 2.89Å; D431-H451 VanDerWaalsContact OD1-CE1 3.28Å; D431-H451 IonicContact OD1-ND1 3.38Å; D431-H451 PolarHBondContact OD1-ND1 3.11Å; D431-S455 PolarHBondContact OD2-OG 3.17Å
432R70.6Confident63.3Low202 Ų202104.1 Ų104.176%0.76258%0.581SS**SBendtrans-103.4132.9179.3-132.9175.7-174.2178.22.3110.2D430 S434D430-R432 PolarHBondContact O-N 3.36Å; R432-S434 PolarHBondContact O-N 2.98Å
433P74Confident66Low37 Ų37106 Ų10624%0.2457%0.573CS.*  trans-65.2138.4179.128.3-33.8000110.1K435 M440 Y448P433-K435 PolarHBondContact O-N 3.19Å; P433-M440 HydrophobicContact CB-CE 3.83Å; P433-M440 HydrophobicContact CB-SD 3.7Å; P433-M440 HydrophobicContact CG-SD 4.34Å; P433-Y448 HydrophobicContact CB-CD2 4.23Å; P433-Y448 HydrophobicContact CB-CE2 4.25Å; P433-Y448 HydrophobicContact CG-CE2 4.32Å
434S73.8Confident68.5Low132 Ų132105.3 Ų105.392%0.92356%0.562SS**SBendtrans-69.21.1-175-36.10000114.6R432R432-S434 PolarHBondContact O-N 2.98Å
435K82.5Confident71Confident98 Ų98103.4 Ų103.443%0.42654%0.542SS..SBendtrans-144.5159-179.8-61174.2-171.21630108.5P433 D439 E444P433-K435 PolarHBondContact O-N 3.19Å; K435-D439 HydrophobicContact CB-CB 4.36Å; K435-E444 IonicContact NZ-OE1 2.68Å; K435-E444 PolarHBondContact NZ-OE1 2.93Å; K435-E444 IonicContact NZ-OE2 3.96Å
436P80.9Confident73.8Confident71 Ų7196.1 Ų96.146%0.46152%0.52SS..  trans-51.5146.3164.6-23.234.3000111.2E438 D439 M440P436-E438 VanDerWaalsContact CB-OE2 3.26Å; P436-E438 WeakPolarHBondContact CB-OE2 3.01Å; P436-E438 PolarHBondContact O-N 3.03Å; P436-D439 WeakPolarHBondContact CD-OD2 3.19Å; P436-D439 WeakPolarHBondContact CG-OD2 3.22Å; P436-D439 PolarHBondContact O-N 3.44Å; P436-M440 WeakPolarHBondContact O-CG 3.46Å; P436-M440 PolarHBondContact O-N 3.28Å
437I78.5Confident76.4Confident95 Ų9597.9 Ų97.949%0.48751%0.514SS..G310 helixtrans-66.3-22.6-177.8-168.1167000111.9D439 M440I437-D439 VanDerWaalsContact C-N 3.34Å; I437-M440 HydrophobicContact CB-SD 4.38Å; I437-M440 HydrophobicContact CG1-SD 4.16Å
438E83.9Confident78.8Confident154 Ų15496.2 Ų96.272%0.7249%0.488SS*.G310 helixtrans-65.1-32.8172.6-61.171.8-158.800112.7P436P436-E438 VanDerWaalsContact CB-OE2 3.26Å; P436-E438 WeakPolarHBondContact CB-OE2 3.01Å; P436-E438 PolarHBondContact O-N 3.03Å
439D88.6Confident81Confident109 Ų10995.8 Ų95.858%0.58349%0.491SS*.G310 helixtrans-93.4-4.9-177.9-67.8-32000113.1K435 P436 I437K435-D439 HydrophobicContact CB-CB 4.36Å; P436-D439 WeakPolarHBondContact CD-OD2 3.19Å; P436-D439 WeakPolarHBondContact CG-OD2 3.22Å; P436-D439 PolarHBondContact O-N 3.44Å; I437-D439 VanDerWaalsContact C-N 3.34Å
440M86.2Confident83Confident29 Ų2994.6 Ų94.614%0.14348%0.482CS..  trans-77.1132.2-179.2-64.4179.784.400111.4P433 P436 I437 E444 Y448P433-M440 HydrophobicContact CB-CE 3.83Å; P433-M440 HydrophobicContact CB-SD 3.7Å; P433-M440 HydrophobicContact CG-SD 4.34Å; P436-M440 WeakPolarHBondContact O-CG 3.46Å; P436-M440 PolarHBondContact O-N 3.28Å; I437-M440 HydrophobicContact CB-SD 4.38Å; I437-M440 HydrophobicContact CG1-SD 4.16Å; M440-E444 HydrophobicContact CB-CB 4.23Å; M440-E444 HydrophobicContact CE-CB 3.88Å; M440-E444 WeakPolarHBondContact CE-O 3.49Å; M440-Y448 HydrophobicContact CE-CG 4.24Å
441T90.9Very high84.7Confident79 Ų7992.8 Ų92.849%0.48547%0.469SS..  trans-63.7151.7165.664.90000110.1R443 E444 T445T441-R443 CarbonylContact O-C 3.55Å; T441-R443 PolarHBondContact O-N 3.22Å; T441-E444 VanDerWaalsContact CB-OE2 3.23Å; T441-E444 WeakPolarHBondContact CB-OE2 3.43Å; T441-E444 VanDerWaalsContact CG2-OE2 3.27Å; T441-E444 WeakPolarHBondContact CG2-OE2 3.42Å; T441-E444 PolarHBondContact N-OE2 3.32Å; T441-E444 PolarHBondContact O-N 3.34Å; T441-E444 WeakPolarHBondContact OG1-CG 3.37Å; T441-E444 PolarHBondContact OG1-N 3.37Å; T441-E444 PolarHBondContact OG1-OE2 2.76Å; T441-T445 PolarHBondContact O-N 2.7Å; T441-T445 PolarHBondContact O-OG1 2.67Å
442K91Very high86.2Confident197 Ų19795.7 Ų95.786%0.85748%0.484SS*.Hα-helixtrans-54.3-19.9176.8-63.6178.5-178.7175.10114A446K442-A446 WeakPolarHBondContact O-CB 3.47Å; K442-A446 PolarHBondContact O-N 2.93Å
443R91.8Very high87.3Confident177 Ų17790.9 Ų90.967%0.66847%0.473SS*.Hα-helixtrans-77.2-55.1172.7179.6175176.314910.5111T441 T445 A446 E447T441-R443 CarbonylContact O-C 3.55Å; T441-R443 PolarHBondContact O-N 3.22Å; R443-T445 PolarHBondContact O-N 3.42Å; R443-A446 PolarHBondContact O-N 3.08Å; R443-E447 HydrophobicContact CG-CG 4.48Å; R443-E447 IonicContact CZ-OE1 3.62Å; R443-E447 VanDerWaalsContact CZ-OE1 3.23Å; R443-E447 IonicContact NE-OE1 3.66Å; R443-E447 PolarHBondContact NE-OE1 2.84Å; R443-E447 IonicContact NE-OE2 3.21Å; R443-E447 IonicContact NH2-OE1 2.86Å; R443-E447 PolarHBondContact NH2-OE1 2.91Å; R443-E447 PolarHBondContact O-N 3.14Å
444E89.7Confident88.1Confident55 Ų5595.4 Ų95.426%0.25749%0.488SS..Hα-helixtrans-54.6-41.7175.2-69.7159.7114.500111K435 M440 T441 A446 E447 Y448K435-E444 IonicContact NZ-OE1 2.68Å; K435-E444 PolarHBondContact NZ-OE1 2.93Å; K435-E444 IonicContact NZ-OE2 3.96Å; M440-E444 HydrophobicContact CB-CB 4.23Å; M440-E444 HydrophobicContact CE-CB 3.88Å; M440-E444 WeakPolarHBondContact CE-O 3.49Å; T441-E444 VanDerWaalsContact CB-OE2 3.23Å; T441-E444 WeakPolarHBondContact CB-OE2 3.43Å; T441-E444 VanDerWaalsContact CG2-OE2 3.27Å; T441-E444 WeakPolarHBondContact CG2-OE2 3.42Å; T441-E444 PolarHBondContact N-OE2 3.32Å; T441-E444 PolarHBondContact O-N 3.34Å; T441-E444 WeakPolarHBondContact OG1-CG 3.37Å; T441-E444 PolarHBondContact OG1-N 3.37Å; T441-E444 PolarHBondContact OG1-OE2 2.76Å; E444-A446 VanDerWaalsContact C-N 3.34Å; E444-A446 PolarHBondContact O-N 2.86Å; E444-E447 PolarHBondContact O-N 3.27Å; E444-Y448 VanDerWaalsContact O-CB 3.28Å; E444-Y448 WeakPolarHBondContact O-CB 3.09Å; E444-Y448 PolarHBondContact O-N 2.96Å
445T89.6Confident88.9Confident41 Ų4191.2 Ų91.225%0.25246%0.459SS..Hα-helixtrans-62.2-39.3176-36.50000112.4T441 R443 V449T441-T445 PolarHBondContact O-N 2.7Å; T441-T445 PolarHBondContact O-OG1 2.67Å; R443-T445 PolarHBondContact O-N 3.42Å; T445-V449 WeakPolarHBondContact O-CB 3.44Å; T445-V449 VanDerWaalsContact O-CG2 3.3Å; T445-V449 WeakPolarHBondContact O-CG2 3.41Å; T445-V449 PolarHBondContact O-N 2.72Å
446A91.3Very high89.4Confident55 Ų5590.2 Ų90.246%0.45546%0.458SS..Hα-helixtrans-73.6-37.2179.600000112.2K442 R443 E444 T450K442-A446 WeakPolarHBondContact O-CB 3.47Å; K442-A446 PolarHBondContact O-N 2.93Å; R443-A446 PolarHBondContact O-N 3.08Å; E444-A446 VanDerWaalsContact C-N 3.34Å; E444-A446 PolarHBondContact O-N 2.86Å; A446-T450 WeakPolarHBondContact O-CB 3.39Å; A446-T450 PolarHBondContact O-N 2.87Å; A446-T450 PolarHBondContact O-OG1 2.86Å
447E90.7Very high90Very high93 Ų9392.7 Ų92.744%0.43546%0.464SS..Hα-helixtrans-65.8-42.6173.9-72167.8165.100110.3R443 E444 T450 H451R443-E447 HydrophobicContact CG-CG 4.48Å; R443-E447 IonicContact CZ-OE1 3.62Å; R443-E447 VanDerWaalsContact CZ-OE1 3.23Å; R443-E447 IonicContact NE-OE1 3.66Å; R443-E447 PolarHBondContact NE-OE1 2.84Å; R443-E447 IonicContact NE-OE2 3.21Å; R443-E447 IonicContact NH2-OE1 2.86Å; R443-E447 PolarHBondContact NH2-OE1 2.91Å; R443-E447 PolarHBondContact O-N 3.14Å; E444-E447 PolarHBondContact O-N 3.27Å; E447-T450 WeakPolarHBondContact O-CB 3.3Å; E447-T450 PolarHBondContact O-N 3.19Å; E447-H451 PolarHBondContact O-N 3.35Å
448Y89.9Confident90.6Very high57 Ų5792.7 Ų92.722%0.22447%0.468CS..Hα-helixtrans-63.1-46.5173.4176.9-108000113.5D431 P433 M440 E444 T450 H451 L452D431-Y448 WeakPolarHBondContact O-CE2 3.26Å; D431-Y448 PolarHBondContact O-OH 2.81Å; P433-Y448 HydrophobicContact CB-CD2 4.23Å; P433-Y448 HydrophobicContact CB-CE2 4.25Å; P433-Y448 HydrophobicContact CG-CE2 4.32Å; M440-Y448 HydrophobicContact CE-CG 4.24Å; E444-Y448 VanDerWaalsContact O-CB 3.28Å; E444-Y448 WeakPolarHBondContact O-CB 3.09Å; E444-Y448 PolarHBondContact O-N 2.96Å; Y448-T450 PolarHBondContact O-N 2.82Å; Y448-H451 WeakPolarHBondContact O-CB 3.46Å; Y448-H451 PolarHBondContact O-N 2.92Å; Y448-H451 VanDerWaalsContact O-N 3.08Å; Y448-L452 PolarHBondContact O-N 3.28Å
449V91.2Very high90.9Very high71 Ų7187.7 Ų87.743%0.4345%0.453SS..Hα-helixtrans-61.6-33174.1168.40000111.3T445 L453T445-V449 WeakPolarHBondContact O-CB 3.44Å; T445-V449 VanDerWaalsContact O-CG2 3.3Å; T445-V449 WeakPolarHBondContact O-CG2 3.41Å; T445-V449 PolarHBondContact O-N 2.72Å; V449-L453 HydrophobicContact CG1-CD1 4.09Å; V449-L453 WeakPolarHBondContact O-CB 3.28Å; V449-L453 VanDerWaalsContact O-CG 3.26Å; V449-L453 WeakPolarHBondContact O-CG 3.43Å; V449-L453 PolarHBondContact O-N 2.72Å
450T92.2Very high91.1Very high74 Ų7490.3 Ų90.345%0.45446%0.455SS..Hα-helixtrans-70-36174.2-55.60000111.9A446 E447 Y448 K454A446-T450 WeakPolarHBondContact O-CB 3.39Å; A446-T450 PolarHBondContact O-N 2.87Å; A446-T450 PolarHBondContact O-OG1 2.86Å; E447-T450 WeakPolarHBondContact O-CB 3.3Å; E447-T450 PolarHBondContact O-N 3.19Å; Y448-T450 PolarHBondContact O-N 2.82Å; T450-K454 WeakPolarHBondContact O-CG 3.38Å; T450-K454 PolarHBondContact O-N 3.4Å
451H90.5Very high91.4Very high102 Ų10293.4 Ų93.447%0.47248%0.476SS..Hα-helixtrans-62-52.7172.2-164.8-96.3000111.2D431 E447 Y448 L453 K454 S455D431-H451 IonicContact OD1-CE1 3.47Å; D431-H451 PolarHBondContact OD1-CE1 2.89Å; D431-H451 VanDerWaalsContact OD1-CE1 3.28Å; D431-H451 IonicContact OD1-ND1 3.38Å; D431-H451 PolarHBondContact OD1-ND1 3.11Å; E447-H451 PolarHBondContact O-N 3.35Å; Y448-H451 WeakPolarHBondContact O-CB 3.46Å; Y448-H451 PolarHBondContact O-N 2.92Å; Y448-H451 VanDerWaalsContact O-N 3.08Å; H451-L453 VanDerWaalsContact C-N 3.28Å; H451-L453 PolarHBondContact O-N 2.75Å; H451-K454 WeakPolarHBondContact O-CA 3.5Å; H451-K454 WeakPolarHBondContact O-CB 3.48Å; H451-K454 PolarHBondContact O-N 3.04Å; H451-S455 PolarHBondContact O-N 2.96Å
452L92.3Very high91.3Very high82 Ų8292.7 Ų92.743%0.42947%0.467SS..Hα-helixtrans-60.6-36.2-179.7-17463000112.4Y448 L456Y448-L452 PolarHBondContact O-N 3.28Å; L452-L456 WeakPolarHBondContact O-CB 3.36Å; L452-L456 PolarHBondContact O-N 2.84Å
453L93.1Very high91.3Very high100 Ų10087.7 Ų87.752%0.52445%0.448SS..Hα-helixtrans-65.4-38.4173.4-77.6169000112.8V449 H451 Q457V449-L453 HydrophobicContact CG1-CD1 4.09Å; V449-L453 WeakPolarHBondContact O-CB 3.28Å; V449-L453 VanDerWaalsContact O-CG 3.26Å; V449-L453 WeakPolarHBondContact O-CG 3.43Å; V449-L453 PolarHBondContact O-N 2.72Å; H451-L453 VanDerWaalsContact C-N 3.28Å; H451-L453 PolarHBondContact O-N 2.75Å; L453-Q457 VanDerWaalsContact O-CG 3.3Å; L453-Q457 WeakPolarHBondContact O-CG 3.49Å; L453-Q457 PolarHBondContact O-N 3Å
454K92.4Very high91.4Very high132 Ų13283.2 Ų83.257%0.57444%0.441SS*.Hα-helixtrans-68.3-48.5173.7-72.8179.6176.7-174.30111.6T450 H451 L456 Q457 T458T450-K454 WeakPolarHBondContact O-CG 3.38Å; T450-K454 PolarHBondContact O-N 3.4Å; H451-K454 WeakPolarHBondContact O-CA 3.5Å; H451-K454 WeakPolarHBondContact O-CB 3.48Å; H451-K454 PolarHBondContact O-N 3.04Å; K454-L456 VanDerWaalsContact C-N 3.28Å; K454-L456 PolarHBondContact O-N 3.29Å; K454-Q457 WeakPolarHBondContact O-CA 3.41Å; K454-Q457 WeakPolarHBondContact O-CB 3.46Å; K454-Q457 PolarHBondContact O-N 2.96Å; K454-T458 PolarHBondContact O-N 3.02Å; K454-T458 PolarHBondContact O-OG1 3.28Å
455S89.9Confident91.7Very high44 Ų4486.1 Ų86.131%0.30845%0.45SS..Hα-helixtrans-52.2-47.2175.7-175.90000110.8D431 H451 Q457 T458 A459D431-S455 PolarHBondContact OD2-OG 3.17Å; H451-S455 PolarHBondContact O-N 2.96Å; S455-Q457 PolarHBondContact O-N 2.82Å; S455-T458 PolarHBondContact O-N 2.73Å; S455-A459 WeakPolarHBondContact O-CB 3.39Å; S455-A459 PolarHBondContact O-N 2.95Å
456L92.9Very high91.8Very high77 Ų7788 Ų8840%0.40346%0.458SS..Hα-helixtrans-68-28.8175.7-179.6148000114.4L452 K454 R460L452-L456 WeakPolarHBondContact O-CB 3.36Å; L452-L456 PolarHBondContact O-N 2.84Å; K454-L456 VanDerWaalsContact C-N 3.28Å; K454-L456 PolarHBondContact O-N 3.29Å; L456-R460 VanDerWaalsContact O-CG 3.29Å; L456-R460 WeakPolarHBondContact O-CG 3.33Å; L456-R460 PolarHBondContact O-N 2.87Å
457Q93.1Very high91.8Very high124 Ų12490.1 Ų90.158%0.57946%0.458SS*.Hα-helixtrans-70.8-48171.9-79.1174.2-39.600111.2L453 K454 S455 A459 R460 T461L453-Q457 VanDerWaalsContact O-CG 3.3Å; L453-Q457 WeakPolarHBondContact O-CG 3.49Å; L453-Q457 PolarHBondContact O-N 3Å; K454-Q457 WeakPolarHBondContact O-CA 3.41Å; K454-Q457 WeakPolarHBondContact O-CB 3.46Å; K454-Q457 PolarHBondContact O-N 2.96Å; S455-Q457 PolarHBondContact O-N 2.82Å; Q457-A459 PolarHBondContact O-N 3.27Å; Q457-R460 WeakPolarHBondContact O-CB 3.35Å; Q457-R460 PolarHBondContact O-N 3.43Å; Q457-R460 VanDerWaalsContact O-N 3.13Å; Q457-T461 PolarHBondContact O-N 2.92Å; Q457-T461 VanDerWaalsContact O-N 3.07Å; Q457-T461 PolarHBondContact O-OG1 3.27Å
458T90.5Very high92Very high94 Ų9491.1 Ų91.158%0.57747%0.465SS*.Hα-helixtrans-59.5-44.3176.7-54.50000111.6K454 S455 R460 T461 E462K454-T458 PolarHBondContact O-N 3.02Å; K454-T458 PolarHBondContact O-OG1 3.28Å; S455-T458 PolarHBondContact O-N 2.73Å; T458-R460 VanDerWaalsContact C-N 3.29Å; T458-R460 PolarHBondContact O-N 3.42Å; T458-T461 WeakPolarHBondContact CA-OG1 3.38Å; T458-T461 PolarHBondContact O-N 2.83Å; T458-T461 PolarHBondContact O-OG1 2.86Å; T458-E462 PolarHBondContact O-N 2.82Å
459A91.5Very high92.1Very high50 Ų5091.8 Ų91.841%0.41347%0.47SS..Hα-helixtrans-60.4-36.617600000112.6S455 Q457 I463S455-A459 WeakPolarHBondContact O-CB 3.39Å; S455-A459 PolarHBondContact O-N 2.95Å; Q457-A459 PolarHBondContact O-N 3.27Å; A459-I463 WeakPolarHBondContact O-CB 3.44Å; A459-I463 WeakPolarHBondContact O-CD1 3.29Å; A459-I463 WeakPolarHBondContact O-CG1 3.36Å; A459-I463 PolarHBondContact O-N 3.45Å
460R91.5Very high92.1Very high163 Ų16392.2 Ų92.262%0.61547%0.471SS*.Hα-helixtrans-70.3-39.8176.3-77.3172.9175.1-172.9-0.8113L456 Q457 T458 E462 T464L456-R460 VanDerWaalsContact O-CG 3.29Å; L456-R460 WeakPolarHBondContact O-CG 3.33Å; L456-R460 PolarHBondContact O-N 2.87Å; Q457-R460 WeakPolarHBondContact O-CB 3.35Å; Q457-R460 PolarHBondContact O-N 3.43Å; Q457-R460 VanDerWaalsContact O-N 3.13Å; T458-R460 VanDerWaalsContact C-N 3.29Å; T458-R460 PolarHBondContact O-N 3.42Å; R460-E462 VanDerWaalsContact C-N 3.34Å; R460-T464 PolarHBondContact O-N 2.9Å; R460-T464 VanDerWaalsContact O-N 3.13Å; R460-T464 PolarHBondContact O-OG1 3.32Å
461T93Very high92.2Very high94 Ų9493.1 Ų93.158%0.57747%0.472SS*.Hα-helixtrans-64.9-40.4174.341.80000111.2Q457 T458 T464 R465Q457-T461 PolarHBondContact O-N 2.92Å; Q457-T461 VanDerWaalsContact O-N 3.07Å; Q457-T461 PolarHBondContact O-OG1 3.27Å; T458-T461 WeakPolarHBondContact CA-OG1 3.38Å; T458-T461 PolarHBondContact O-N 2.83Å; T458-T461 PolarHBondContact O-OG1 2.86Å; T461-T464 WeakPolarHBondContact O-CB 3.24Å; T461-T464 PolarHBondContact O-N 2.88Å; T461-R465 PolarHBondContact O-N 2.93Å
462E88.3Confident92.5Very high64 Ų6493.7 Ų93.730%0.29947%0.471SS..Hα-helixtrans-71.5-40.2179.5-174.756.1-162.800112.7T458 R460 T464 R465 L466T458-E462 PolarHBondContact O-N 2.82Å; R460-E462 VanDerWaalsContact C-N 3.34Å; E462-T464 PolarHBondContact O-N 3.49Å; E462-R465 VanDerWaalsContact CD-NE 3.31Å; E462-R465 WeakPolarHBondContact O-CB 3.39Å; E462-R465 PolarHBondContact O-N 2.68Å; E462-R465 VanDerWaalsContact O-N 3.13Å; E462-R465 IonicContact OE1-CZ 3.68Å; E462-R465 VanDerWaalsContact OE1-CZ 3.26Å; E462-R465 IonicContact OE1-NE 2.7Å; E462-R465 PolarHBondContact OE1-NE 2.86Å; E462-R465 IonicContact OE1-NH2 2.74Å; E462-R465 PolarHBondContact OE1-NH2 3.17Å; E462-R465 WeakPolarHBondContact OE2-CD 3.41Å; E462-R465 IonicContact OE2-CZ 3.24Å; E462-R465 IonicContact OE2-NE 2.81Å; E462-R465 PolarHBondContact OE2-NE 3.13Å; E462-L466 HydrophobicContact CG-CD1 3.97Å; E462-L466 HydrophobicContact CG-CG 4.34Å; E462-L466 WeakPolarHBondContact O-CB 3.29Å; E462-L466 WeakPolarHBondContact O-CG 3.35Å; E462-L466 PolarHBondContact O-N 3.03Å
463I91.7Very high92.5Very high92 Ų9293.7 Ų93.747%0.47247%0.47SS..Hα-helixtrans-56.9-38170.2-72.7164.7000111.1A459 Q467A459-I463 WeakPolarHBondContact O-CB 3.44Å; A459-I463 WeakPolarHBondContact O-CD1 3.29Å; A459-I463 WeakPolarHBondContact O-CG1 3.36Å; A459-I463 PolarHBondContact O-N 3.45Å; I463-Q467 WeakPolarHBondContact O-CB 3.23Å; I463-Q467 PolarHBondContact O-N 2.97Å
464T93.3Very high92.5Very high84 Ų8491.9 Ų91.952%0.51546%0.464SS..Hα-helixtrans-69.4-40.5177.3-51.30000111.6R460 T461 E462 Q467 I468R460-T464 PolarHBondContact O-N 2.9Å; R460-T464 VanDerWaalsContact O-N 3.13Å; R460-T464 PolarHBondContact O-OG1 3.32Å; T461-T464 WeakPolarHBondContact O-CB 3.24Å; T461-T464 PolarHBondContact O-N 2.88Å; E462-T464 PolarHBondContact O-N 3.49Å; T464-Q467 PolarHBondContact O-N 3.08Å; T464-I468 HydrophobicContact CG2-CD1 4.47Å; T464-I468 WeakPolarHBondContact O-CG1 3.44Å; T464-I468 PolarHBondContact O-N 3.36Å
465R95.9Very high92.6Very high115 Ų11587.4 Ų87.443%0.43446%0.455SS..Hα-helixtrans-62.5-47.9175.2-164.6-164.469.669.15.5111.4T461 E462 Q467 I468 E469T461-R465 PolarHBondContact O-N 2.93Å; E462-R465 VanDerWaalsContact CD-NE 3.31Å; E462-R465 WeakPolarHBondContact O-CB 3.39Å; E462-R465 PolarHBondContact O-N 2.68Å; E462-R465 VanDerWaalsContact O-N 3.13Å; E462-R465 IonicContact OE1-CZ 3.68Å; E462-R465 VanDerWaalsContact OE1-CZ 3.26Å; E462-R465 IonicContact OE1-NE 2.7Å; E462-R465 PolarHBondContact OE1-NE 2.86Å; E462-R465 IonicContact OE1-NH2 2.74Å; E462-R465 PolarHBondContact OE1-NH2 3.17Å; E462-R465 WeakPolarHBondContact OE2-CD 3.41Å; E462-R465 IonicContact OE2-CZ 3.24Å; E462-R465 IonicContact OE2-NE 2.81Å; E462-R465 PolarHBondContact OE2-NE 3.13Å; R465-Q467 VanDerWaalsContact C-N 3.34Å; R465-Q467 PolarHBondContact O-N 3.38Å; R465-I468 PolarHBondContact O-N 3.15Å; R465-E469 IonicContact CZ-OE2 2.64Å; R465-E469 IonicContact NH1-OE2 3.87Å; R465-E469 PolarHBondContact NH1-OE2 3.45Å; R465-E469 IonicContact NH2-OE2 2.68Å; R465-E469 PolarHBondContact NH2-OE2 2.89Å; R465-E469 PolarHBondContact O-N 2.88Å
466L92Very high92.8Very high81 Ų8190.4 Ų90.442%0.42446%0.464SS..Hα-helixtrans-64.8-33.9178.8-71.2169.3000112.6E462 E469 N470E462-L466 HydrophobicContact CG-CD1 3.97Å; E462-L466 HydrophobicContact CG-CG 4.34Å; E462-L466 WeakPolarHBondContact O-CB 3.29Å; E462-L466 WeakPolarHBondContact O-CG 3.35Å; E462-L466 PolarHBondContact O-N 3.03Å; L466-E469 PolarHBondContact O-N 2.84Å; L466-N470 VanDerWaalsContact O-CB 3.25Å; L466-N470 WeakPolarHBondContact O-CB 3.46Å; L466-N470 PolarHBondContact O-N 2.89Å
467Q92.6Very high92.8Very high100 Ų10090 Ų9047%0.46747%0.468SS..Hα-helixtrans-63.3-48.9173.5-174.563.251.600111.2I463 T464 R465 E469 N470 D471I463-Q467 WeakPolarHBondContact O-CB 3.23Å; I463-Q467 PolarHBondContact O-N 2.97Å; T464-Q467 PolarHBondContact O-N 3.08Å; R465-Q467 VanDerWaalsContact C-N 3.34Å; R465-Q467 PolarHBondContact O-N 3.38Å; Q467-E469 VanDerWaalsContact C-N 3.28Å; Q467-E469 PolarHBondContact O-N 2.93Å; Q467-N470 PolarHBondContact O-N 3.03Å; Q467-D471 PolarHBondContact NE2-OD1 3.48Å; Q467-D471 PolarHBondContact O-N 2.89Å
468I94.1Very high92.8Very high113 Ų11389 Ų8958%0.57946%0.463SS*.Hα-helixtrans-60.8-39.3177.9-64.5164.5000110.9T464 R465 R472T464-I468 HydrophobicContact CG2-CD1 4.47Å; T464-I468 WeakPolarHBondContact O-CG1 3.44Å; T464-I468 PolarHBondContact O-N 3.36Å; R465-I468 PolarHBondContact O-N 3.15Å; I468-R472 WeakPolarHBondContact O-CB 3.47Å; I468-R472 PolarHBondContact O-N 3.18Å
469E91.9Very high93Very high71 Ų7188.7 Ų88.733%0.33246%0.455SS..Hα-helixtrans-66.7-40.4176.1-178.8160.6-151.200112.7R465 L466 Q467 R472 L473R465-E469 IonicContact CZ-OE2 2.64Å; R465-E469 IonicContact NH1-OE2 3.87Å; R465-E469 PolarHBondContact NH1-OE2 3.45Å; R465-E469 IonicContact NH2-OE2 2.68Å; R465-E469 PolarHBondContact NH2-OE2 2.89Å; R465-E469 PolarHBondContact O-N 2.88Å; L466-E469 PolarHBondContact O-N 2.84Å; Q467-E469 VanDerWaalsContact C-N 3.28Å; Q467-E469 PolarHBondContact O-N 2.93Å; E469-R472 WeakPolarHBondContact O-CB 3.15Å; E469-R472 PolarHBondContact O-N 2.8Å; E469-L473 HydrophobicContact CG-CD1 4.07Å; E469-L473 WeakPolarHBondContact O-CB 3.47Å; E469-L473 VanDerWaalsContact O-CG 3.29Å; E469-L473 WeakPolarHBondContact O-CG 3.11Å; E469-L473 PolarHBondContact O-N 2.9Å
470N92.2Very high93.1Very high81 Ų8189 Ų8943%0.43345%0.454SS..Hα-helixtrans-67.4-42.9176.4-169.4-2.4000112L466 Q467 R472 L473 T474L466-N470 VanDerWaalsContact O-CB 3.25Å; L466-N470 WeakPolarHBondContact O-CB 3.46Å; L466-N470 PolarHBondContact O-N 2.89Å; Q467-N470 PolarHBondContact O-N 3.03Å; N470-R472 VanDerWaalsContact C-N 3.32Å; N470-R472 PolarHBondContact O-N 2.72Å; N470-L473 PolarHBondContact O-N 2.99Å; N470-T474 WeakPolarHBondContact O-CB 3.49Å; N470-T474 PolarHBondContact O-N 3.43Å; N470-T474 PolarHBondContact O-OG1 3Å; N470-T474 PolarHBondContact OD1-OG1 3.4Å
471D93.6Very high93.2Very high92 Ų9284.9 Ų84.949%0.49244%0.442SS..Hα-helixtrans-60.9-42.3174.7-63.9-22000110.5Q467 G475Q467-D471 PolarHBondContact NE2-OD1 3.48Å; Q467-D471 PolarHBondContact O-N 2.89Å; D471-G475 PolarHBondContact O-N 3Å
472R95.8Very high93.3Very high115 Ų11586.7 Ų86.743%0.43444%0.438SS..Hα-helixtrans-60.9-50.4173.7-175.4-167.369.883.4-3.9111.9I468 E469 N470 G475 H476I468-R472 WeakPolarHBondContact O-CB 3.47Å; I468-R472 PolarHBondContact O-N 3.18Å; E469-R472 WeakPolarHBondContact O-CB 3.15Å; E469-R472 PolarHBondContact O-N 2.8Å; N470-R472 VanDerWaalsContact C-N 3.32Å; N470-R472 PolarHBondContact O-N 2.72Å; R472-G475 PolarHBondContact O-N 2.96Å; R472-H476 PolarHBondContact NH1-NE2 2.88Å; R472-H476 PolarHBondContact O-N 3.41Å; R472-H476 PolarHBondContact O-ND1 3.21Å
473L93.1Very high93.6Very high81 Ų8188.8 Ų88.842%0.42445%0.448SS..Hα-helixtrans-63.9-40.4-178.6-74.9169.4000111.9E469 N470 G475 H476 S477E469-L473 HydrophobicContact CG-CD1 4.07Å; E469-L473 WeakPolarHBondContact O-CB 3.47Å; E469-L473 VanDerWaalsContact O-CG 3.29Å; E469-L473 WeakPolarHBondContact O-CG 3.11Å; E469-L473 PolarHBondContact O-N 2.9Å; N470-L473 PolarHBondContact O-N 2.99Å; L473-G475 VanDerWaalsContact C-N 3.32Å; L473-G475 PolarHBondContact O-N 3.08Å; L473-H476 PolarHBondContact O-N 2.91Å; L473-S477 PolarHBondContact O-N 3.28Å
474T93.3Very high93.8Very high63 Ų6387.5 Ų87.539%0.38744%0.442SS..Hα-helixtrans-59.7-43.5173.3-59.30000110.9N470 H476 S477 H478N470-T474 WeakPolarHBondContact O-CB 3.49Å; N470-T474 PolarHBondContact O-N 3.43Å; N470-T474 PolarHBondContact O-OG1 3Å; N470-T474 PolarHBondContact OD1-OG1 3.4Å; T474-H476 PolarHBondContact O-N 3.3Å; T474-S477 PolarHBondContact O-N 2.77Å; T474-H478 PolarHBondContact O-CD2 2.64Å; T474-H478 PolarHBondContact O-N 3.32Å; T474-H478 VanDerWaalsContact O-N 3.09Å
475G93.5Very high93.9Very high38 Ų3886.8 Ų86.839%0.39244%0.435SS..Hα-helixtrans-59.7-43.4173.300000113.6D471 R472 L473 H478 E479D471-G475 PolarHBondContact O-N 3Å; R472-G475 PolarHBondContact O-N 2.96Å; L473-G475 VanDerWaalsContact C-N 3.32Å; L473-G475 PolarHBondContact O-N 3.08Å; G475-H478 PolarHBondContact O-N 2.93Å; G475-E479 PolarHBondContact O-N 3.08Å; G475-E479 VanDerWaalsContact O-N 3.16Å
476H94.5Very high93.9Very high106 Ų10687.4 Ų87.449%0.49144%0.442SS..Hα-helixtrans-65.5-42.1177-70.950.1000111.3R472 L473 T474 H478 E479 S480R472-H476 PolarHBondContact NH1-NE2 2.88Å; R472-H476 PolarHBondContact O-N 3.41Å; R472-H476 PolarHBondContact O-ND1 3.21Å; L473-H476 PolarHBondContact O-N 2.91Å; T474-H476 PolarHBondContact O-N 3.3Å; H476-H478 VanDerWaalsContact C-N 3.3Å; H476-H478 PolarHBondContact O-N 3.15Å; H476-E479 WeakPolarHBondContact O-CB 3.47Å; H476-E479 PolarHBondContact O-N 2.8Å; H476-S480 PolarHBondContact O-N 2.9Å
477S93.3Very high94.1Very high70 Ų7087.8 Ų87.849%0.4945%0.448SS..Hα-helixtrans-58.8-40.5176.7-167.70000112.2L473 T474 E479 E481L473-S477 PolarHBondContact O-N 3.28Å; T474-S477 PolarHBondContact O-N 2.77Å; S477-E479 VanDerWaalsContact C-N 3.32Å; S477-E481 VanDerWaalsContact O-CB 3.3Å; S477-E481 WeakPolarHBondContact O-CB 3.08Å; S477-E481 PolarHBondContact O-N 2.82Å
478H93.9Very high94.3Very high102 Ų10288.9 Ų88.947%0.47245%0.448SS..Hα-helixtrans-75.8-14.6176-72.9-47.6000114.3T474 G475 H476 E481 R482T474-H478 PolarHBondContact O-CD2 2.64Å; T474-H478 PolarHBondContact O-N 3.32Å; T474-H478 VanDerWaalsContact O-N 3.09Å; G475-H478 PolarHBondContact O-N 2.93Å; H476-H478 VanDerWaalsContact C-N 3.3Å; H476-H478 PolarHBondContact O-N 3.15Å; H478-E481 IonicContact ND1-OE2 3.65Å; H478-E481 PolarHBondContact ND1-OE2 2.68Å; H478-R482 PolarHBondContact O-NE 2.87Å; H478-R482 PolarHBondContact O-NH2 2.81Å
479E94Very high94.3Very high88 Ų8889.5 Ų89.541%0.41145%0.45SS..Hα-helixtrans-78.9-53.6168.7-161.265.7-11200109.8G475 H476 S477 E481 R482 E483G475-E479 PolarHBondContact O-N 3.08Å; G475-E479 VanDerWaalsContact O-N 3.16Å; H476-E479 WeakPolarHBondContact O-CB 3.47Å; H476-E479 PolarHBondContact O-N 2.8Å; S477-E479 VanDerWaalsContact C-N 3.32Å; E479-E481 VanDerWaalsContact C-N 3.25Å; E479-E481 PolarHBondContact O-N 2.9Å; E479-R482 VanDerWaalsContact CD-CZ 3.44Å; E479-R482 WeakPolarHBondContact O-CA 3.26Å; E479-R482 WeakPolarHBondContact O-CB 3.46Å; E479-R482 PolarHBondContact O-N 2.95Å; E479-R482 IonicContact OE1-CZ 2.8Å; E479-R482 IonicContact OE1-NH1 2.77Å; E479-R482 PolarHBondContact OE1-NH1 2.82Å; E479-R482 IonicContact OE1-NH2 3.28Å; E479-R482 PolarHBondContact OE1-NH2 3.44Å; E479-R482 IonicContact OE2-CZ 2.72Å; E479-R482 VanDerWaalsContact OE2-CZ 3.23Å; E479-R482 IonicContact OE2-NH1 3.18Å; E479-R482 PolarHBondContact OE2-NH1 3.39Å; E479-R482 IonicContact OE2-NH2 3.18Å; E479-R482 PolarHBondContact OE2-NH2 3.43Å; E479-E483 PolarHBondContact O-N 2.93Å
480S93.1Very high94.5Very high57 Ų5790.4 Ų90.440%0.39946%0.457SS..Hα-helixtrans-63.8-27.6178.5-60.40000113.8H476 E483 L484H476-S480 PolarHBondContact O-N 2.9Å; S480-E483 WeakPolarHBondContact CA-OE2 3.23Å; S480-E483 PolarHBondContact OG-OE2 3.14Å; S480-L484 WeakPolarHBondContact O-CB 3.38Å; S480-L484 VanDerWaalsContact O-CG 3.24Å; S480-L484 WeakPolarHBondContact O-CG 3.29Å; S480-L484 PolarHBondContact O-N 2.9Å
481E94.4Very high94.6Very high75 Ų7592 Ų9235%0.3547%0.465SS..Hα-helixtrans-67.1-35.3169.3-176.6173-149.400112.6S477 H478 E479 N485S477-E481 VanDerWaalsContact O-CB 3.3Å; S477-E481 WeakPolarHBondContact O-CB 3.08Å; S477-E481 PolarHBondContact O-N 2.82Å; H478-E481 IonicContact ND1-OE2 3.65Å; H478-E481 PolarHBondContact ND1-OE2 2.68Å; E479-E481 VanDerWaalsContact C-N 3.25Å; E479-E481 PolarHBondContact O-N 2.9Å; E481-N485 WeakPolarHBondContact O-CB 3.39Å; E481-N485 VanDerWaalsContact O-CG 3.26Å; E481-N485 PolarHBondContact O-N 2.95Å; E481-N485 VanDerWaalsContact O-N 3.07Å; E481-N485 PolarHBondContact O-ND2 3.39Å
482R94.6Very high94.6Very high133 Ų13389.8 Ų89.850%0.50246%0.459SS..Hα-helixtrans-69.7-46173.4-81.1177-78.4132.70.4111.1H478 E479 L484 N485 E486H478-R482 PolarHBondContact O-NE 2.87Å; H478-R482 PolarHBondContact O-NH2 2.81Å; E479-R482 VanDerWaalsContact CD-CZ 3.44Å; E479-R482 WeakPolarHBondContact O-CA 3.26Å; E479-R482 WeakPolarHBondContact O-CB 3.46Å; E479-R482 PolarHBondContact O-N 2.95Å; E479-R482 IonicContact OE1-CZ 2.8Å; E479-R482 IonicContact OE1-NH1 2.77Å; E479-R482 PolarHBondContact OE1-NH1 2.82Å; E479-R482 IonicContact OE1-NH2 3.28Å; E479-R482 PolarHBondContact OE1-NH2 3.44Å; E479-R482 IonicContact OE2-CZ 2.72Å; E479-R482 VanDerWaalsContact OE2-CZ 3.23Å; E479-R482 IonicContact OE2-NH1 3.18Å; E479-R482 PolarHBondContact OE2-NH1 3.39Å; E479-R482 IonicContact OE2-NH2 3.18Å; E479-R482 PolarHBondContact OE2-NH2 3.43Å; R482-L484 PolarHBondContact O-N 3.33Å; R482-N485 PolarHBondContact O-N 2.81Å; R482-N485 VanDerWaalsContact O-N 3.14Å; R482-E486 PolarHBondContact O-N 2.88Å
483E95.5Very high94.5Very high107 Ų10787.1 Ų87.150%0.546%0.456SS..Hα-helixtrans-56.2-47.9174.4-64.8173.7150.100111.5E479 S480 N485 E486 V487E479-E483 PolarHBondContact O-N 2.93Å; S480-E483 WeakPolarHBondContact CA-OE2 3.23Å; S480-E483 PolarHBondContact OG-OE2 3.14Å; E483-N485 VanDerWaalsContact C-N 3.32Å; E483-N485 PolarHBondContact O-N 3.11Å; E483-E486 PolarHBondContact O-N 2.85Å; E483-V487 WeakPolarHBondContact O-CG2 3.38Å; E483-V487 PolarHBondContact O-N 3.37Å
484L95.1Very high94.6Very high66 Ų6687.7 Ų87.735%0.34646%0.459SS..Hα-helixtrans-62.2-37.2176.5-77171.5000112.7S480 R482 R488 M560S480-L484 WeakPolarHBondContact O-CB 3.38Å; S480-L484 VanDerWaalsContact O-CG 3.24Å; S480-L484 WeakPolarHBondContact O-CG 3.29Å; S480-L484 PolarHBondContact O-N 2.9Å; R482-L484 PolarHBondContact O-N 3.33Å; L484-R488 WeakPolarHBondContact O-CB 3.39Å; L484-R488 WeakPolarHBondContact O-CD 3.26Å; L484-R488 WeakPolarHBondContact O-CG 3.36Å; L484-R488 PolarHBondContact O-N 2.62Å; L484-M560 HydrophobicContact CD1-SD 4.05Å
485N94.6Very high94.5Very high69 Ų6991.1 Ų91.137%0.36947%0.465SS..Hα-helixtrans-70.9-36.4176-75.7-35.5000112.4E481 R482 E483 R488 M489E481-N485 WeakPolarHBondContact O-CB 3.39Å; E481-N485 VanDerWaalsContact O-CG 3.26Å; E481-N485 PolarHBondContact O-N 2.95Å; E481-N485 VanDerWaalsContact O-N 3.07Å; E481-N485 PolarHBondContact O-ND2 3.39Å; R482-N485 PolarHBondContact O-N 2.81Å; R482-N485 VanDerWaalsContact O-N 3.14Å; E483-N485 VanDerWaalsContact C-N 3.32Å; E483-N485 PolarHBondContact O-N 3.11Å; N485-R488 PolarHBondContact O-N 2.86Å; N485-R488 PolarHBondContact OD1-NH1 2.9Å; N485-M489 WeakPolarHBondContact O-CG 3.36Å; N485-M489 PolarHBondContact O-N 3.12Å
486E96.6Very high94.5Very high127 Ų12793 Ų9359%0.59347%0.465SS*.Hα-helixtrans-63.5-46.9171.6-162.7-168.1138.500111.2R482 E483 R488 M489 N490R482-E486 PolarHBondContact O-N 2.88Å; E483-E486 PolarHBondContact O-N 2.85Å; E486-R488 VanDerWaalsContact C-N 3.31Å; E486-R488 PolarHBondContact O-N 2.86Å; E486-M489 PolarHBondContact O-N 2.86Å; E486-M489 VanDerWaalsContact O-N 3.13Å; E486-N490 WeakPolarHBondContact O-CB 3.42Å; E486-N490 PolarHBondContact O-N 2.78Å; E486-N490 PolarHBondContact O-ND2 2.85Å; E486-N490 PolarHBondContact OE1-ND2 2.94Å
487V97.3Very high94.5Very high89 Ų8994.8 Ų94.854%0.53947%0.468SS..Hα-helixtrans-59.2-40.9175.7171.60000111.5E483 N490 L491E483-V487 WeakPolarHBondContact O-CG2 3.38Å; E483-V487 PolarHBondContact O-N 3.37Å; V487-N490 PolarHBondContact O-N 3.31Å; V487-L491 VanDerWaalsContact O-CB 3.29Å; V487-L491 WeakPolarHBondContact O-CB 3.47Å; V487-L491 PolarHBondContact O-N 3.33Å
488R95.8Very high94.5Very high123 Ų12392.9 Ų92.946%0.46445%0.452SS..Hα-helixtrans-61.2-45173.4-73.6162.9-177.2155.40.2112.1L484 N485 E486 L491 A492L484-R488 WeakPolarHBondContact O-CB 3.39Å; L484-R488 WeakPolarHBondContact O-CD 3.26Å; L484-R488 WeakPolarHBondContact O-CG 3.36Å; L484-R488 PolarHBondContact O-N 2.62Å; N485-R488 PolarHBondContact O-N 2.86Å; N485-R488 PolarHBondContact OD1-NH1 2.9Å; E486-R488 VanDerWaalsContact C-N 3.31Å; E486-R488 PolarHBondContact O-N 2.86Å; R488-L491 PolarHBondContact O-N 3.47Å; R488-A492 WeakPolarHBondContact O-CB 3.43Å; R488-A492 PolarHBondContact O-N 2.74Å
489M93.6Very high94.3Very high127 Ų12791.6 Ų91.663%0.62645%0.448SS*.Hα-helixtrans-65.3-42178.1-66.7-120.866.700112.1N485 E486 A492 T493N485-M489 WeakPolarHBondContact O-CG 3.36Å; N485-M489 PolarHBondContact O-N 3.12Å; E486-M489 PolarHBondContact O-N 2.86Å; E486-M489 VanDerWaalsContact O-N 3.13Å; M489-A492 PolarHBondContact O-N 3.01Å; M489-T493 WeakPolarHBondContact O-CB 3.17Å; M489-T493 PolarHBondContact O-N 2.93Å; M489-T493 PolarHBondContact O-OG1 3.26Å
490N96.3Very high94.2Very high89 Ų8994 Ų9448%0.47646%0.46SS..Hα-helixtrans-64.8-44.4176.5-73.3-25.9000111.3E486 V487 T493 L494E486-N490 WeakPolarHBondContact O-CB 3.42Å; E486-N490 PolarHBondContact O-N 2.78Å; E486-N490 PolarHBondContact O-ND2 2.85Å; E486-N490 PolarHBondContact OE1-ND2 2.94Å; V487-N490 PolarHBondContact O-N 3.31Å; N490-T493 PolarHBondContact O-N 2.96Å; N490-L494 WeakPolarHBondContact O-CB 3.49Å; N490-L494 PolarHBondContact O-N 2.89Å
491L94.9Very high94.3Very high115 Ų11596.5 Ų96.560%0.60247%0.468SS*.Hα-helixtrans-65.8-39.7176.7-176.662.3000112.4V487 R488 L494 R495V487-L491 VanDerWaalsContact O-CB 3.29Å; V487-L491 WeakPolarHBondContact O-CB 3.47Å; V487-L491 PolarHBondContact O-N 3.33Å; R488-L491 PolarHBondContact O-N 3.47Å; L491-L494 PolarHBondContact O-N 3.24Å; L491-R495 WeakPolarHBondContact O-CB 3.23Å; L491-R495 PolarHBondContact O-N 2.81Å
492A92.5Very high94Very high46 Ų4699.2 Ų99.238%0.3849%0.486SS..Hα-helixtrans-64.5-40.6174.300000111.8R488 M489 R495 N496R488-A492 WeakPolarHBondContact O-CB 3.43Å; R488-A492 PolarHBondContact O-N 2.74Å; M489-A492 PolarHBondContact O-N 3.01Å; A492-R495 PolarHBondContact O-N 2.89Å; A492-N496 VanDerWaalsContact O-CG 3.25Å; A492-N496 PolarHBondContact O-N 3.29Å; A492-N496 PolarHBondContact O-OD1 2.7Å
493T94.7Very high93.8Very high59 Ų5996.3 Ų96.336%0.36248%0.479SS..Hα-helixtrans-64.8-44.4176.2-57.50000111.2M489 N490 N496 R497M489-T493 WeakPolarHBondContact O-CB 3.17Å; M489-T493 PolarHBondContact O-N 2.93Å; M489-T493 PolarHBondContact O-OG1 3.26Å; N490-T493 PolarHBondContact O-N 2.96Å; T493-N496 PolarHBondContact O-N 3.35Å; T493-R497 PolarHBondContact O-N 3.46Å; T493-R497 VanDerWaalsContact O-N 3.12Å
494L94.4Very high93.4Very high92 Ų9294.9 Ų94.948%0.48248%0.478SS..Hα-helixtrans-62-44.7175.1178.760.5000111.6N490 L491 N496 R497 L498N490-L494 WeakPolarHBondContact O-CB 3.49Å; N490-L494 PolarHBondContact O-N 2.89Å; L491-L494 PolarHBondContact O-N 3.24Å; L494-N496 VanDerWaalsContact C-N 3.31Å; L494-N496 PolarHBondContact O-N 2.61Å; L494-R497 PolarHBondContact O-N 3.2Å; L494-L498 HydrophobicContact CD1-CD1 4.22Å; L494-L498 HydrophobicContact CD1-CG 4.28Å; L494-L498 HydrophobicContact CG-CD1 4.05Å; L494-L498 WeakPolarHBondContact O-CG 3.42Å; L494-L498 PolarHBondContact O-N 2.97Å
495R92.8Very high92.9Very high135 Ų13597.9 Ų97.951%0.50949%0.491SS..Hα-helixtrans-58.5-41.9176.4178.5179.3177.6-80.70.7112L491 A492 L498 L499 L507L491-R495 WeakPolarHBondContact O-CB 3.23Å; L491-R495 PolarHBondContact O-N 2.81Å; A492-R495 PolarHBondContact O-N 2.89Å; R495-L498 PolarHBondContact O-N 3.06Å; R495-L499 HydrophobicContact CG-CD1 4.36Å; R495-L499 WeakPolarHBondContact O-CG 3.4Å; R495-L499 PolarHBondContact O-N 3.19Å; R495-L499 VanDerWaalsContact O-N 3.16Å; R495-L507 HydrophobicContact CB-CD2 4.44Å; R495-L507 HydrophobicContact CG-CD1 4.41Å; R495-L507 HydrophobicContact CG-CD2 4.08Å
496N92.7Very high92.4Very high77 Ų77102 Ų10241%0.41250%0.502SS..Hα-helixtrans-67.3-44.4179.7-68.6-5000111.4A492 T493 L494 L498 L499 E500A492-N496 VanDerWaalsContact O-CG 3.25Å; A492-N496 PolarHBondContact O-N 3.29Å; A492-N496 PolarHBondContact O-OD1 2.7Å; T493-N496 PolarHBondContact O-N 3.35Å; L494-N496 VanDerWaalsContact C-N 3.31Å; L494-N496 PolarHBondContact O-N 2.61Å; N496-L498 PolarHBondContact O-N 3.44Å; N496-L499 WeakPolarHBondContact O-CB 3.48Å; N496-L499 PolarHBondContact O-N 3.08Å; N496-E500 WeakPolarHBondContact O-CG 3.37Å; N496-E500 PolarHBondContact O-N 3.21Å
497R93.7Very high91.8Very high145 Ų14599.2 Ų99.255%0.54749%0.491SS..Hα-helixtrans-59.3-44173.9-68.6177.7-175.2170.52112.6T493 L494 L499 E500 D501T493-R497 PolarHBondContact O-N 3.46Å; T493-R497 VanDerWaalsContact O-N 3.12Å; L494-R497 PolarHBondContact O-N 3.2Å; R497-L499 PolarHBondContact O-N 3.22Å; R497-E500 PolarHBondContact O-N 3.44Å; R497-E500 VanDerWaalsContact O-N 3.12Å; R497-D501 WeakPolarHBondContact O-CB 3.38Å; R497-D501 PolarHBondContact O-N 2.9Å
498L93.1Very high90.9Very high29 Ų29100.6 Ų100.615%0.15249%0.491CS..Hα-helixtrans-62.8-24.7175.8-71.1171.5000113.3L494 R495 N496 L503 Y506 L507L494-L498 HydrophobicContact CD1-CD1 4.22Å; L494-L498 HydrophobicContact CD1-CG 4.28Å; L494-L498 HydrophobicContact CG-CD1 4.05Å; L494-L498 WeakPolarHBondContact O-CG 3.42Å; L494-L498 PolarHBondContact O-N 2.97Å; R495-L498 PolarHBondContact O-N 3.06Å; N496-L498 PolarHBondContact O-N 3.44Å; L498-L503 HydrophobicContact CD2-CB 3.73Å; L498-L503 HydrophobicContact CD2-CD1 4.03Å; L498-L503 CarbonylContact O-C 3.5Å; L498-L503 WeakPolarHBondContact O-CA 3.45Å; L498-L503 PolarHBondContact O-N 3.09Å; L498-Y506 HydrophobicContact CD2-CD2 4.45Å; L498-L507 HydrophobicContact CB-CD1 4.23Å; L498-L507 HydrophobicContact CB-CD2 4.16Å; L498-L507 HydrophobicContact CB-CG 4.22Å; L498-L507 HydrophobicContact CD1-CD2 3.75Å; L498-L507 HydrophobicContact CD1-CG 4.4Å
499L91.3Very high89.9Confident75 Ų75102.2 Ų102.239%0.39351%0.508SS..Hα-helixtrans-80.2-40.7171.4-68.9167.6000111.8R495 N496 R497 N502 T504 L507R495-L499 HydrophobicContact CG-CD1 4.36Å; R495-L499 WeakPolarHBondContact O-CG 3.4Å; R495-L499 PolarHBondContact O-N 3.19Å; R495-L499 VanDerWaalsContact O-N 3.16Å; N496-L499 WeakPolarHBondContact O-CB 3.48Å; N496-L499 PolarHBondContact O-N 3.08Å; R497-L499 PolarHBondContact O-N 3.22Å; L499-N502 PolarHBondContact O-N 3.27Å; L499-T504 HydrophobicContact CD2-CG2 4.47Å; L499-L507 HydrophobicContact CD2-CD1 3.58Å; L499-L507 HydrophobicContact CG-CD1 3.74Å
500E91.8Very high88.6Confident139 Ų139101.4 Ų101.465%0.6551%0.513SS*.Hα-helixtrans-63.2-45.2176.9-70.9161.3-173.800111.8N496 R497 N502N496-E500 WeakPolarHBondContact O-CG 3.37Å; N496-E500 PolarHBondContact O-N 3.21Å; R497-E500 PolarHBondContact O-N 3.44Å; R497-E500 VanDerWaalsContact O-N 3.12Å; E500-N502 PolarHBondContact O-N 3.44Å; E500-N502 PolarHBondContact O-ND2 2.97Å; E500-N502 VanDerWaalsContact O-ND2 3.11Å
501D93.6Very high86.6Confident109 Ų109107.3 Ų107.358%0.58353%0.528SS*.THydrogen-bonded Turntrans-74.10.1176-66.1-34.5000113.3R497 L503R497-D501 WeakPolarHBondContact O-CB 3.38Å; R497-D501 PolarHBondContact O-N 2.9Å; D501-L503 HydrophobicContact CB-CB 4.44Å; D501-L503 HydrophobicContact CB-CD1 3.77Å; D501-L503 HydrophobicContact CB-CG 3.74Å; D501-L503 PolarHBondContact O-N 3.45Å
502N88.8Confident84.4Confident133 Ų133109.1 Ų109.171%0.71153%0.534SS*.THydrogen-bonded Turntrans5821.8-174-65.4-100.8000114.5L499 E500 T504L499-N502 PolarHBondContact O-N 3.27Å; E500-N502 PolarHBondContact O-N 3.44Å; E500-N502 PolarHBondContact O-ND2 2.97Å; E500-N502 VanDerWaalsContact O-ND2 3.11Å; N502-T504 PolarHBondContact O-N 3.41Å
503L90.5Very high82.1Confident71 Ų71113.4 Ų113.437%0.37256%0.555SS.*  trans-81.544.6-179.4-65.8178.7000112.6L498 D501 Q505 Y506L498-L503 HydrophobicContact CD2-CB 3.73Å; L498-L503 HydrophobicContact CD2-CD1 4.03Å; L498-L503 CarbonylContact O-C 3.5Å; L498-L503 WeakPolarHBondContact O-CA 3.45Å; L498-L503 PolarHBondContact O-N 3.09Å; D501-L503 HydrophobicContact CB-CB 4.44Å; D501-L503 HydrophobicContact CB-CD1 3.77Å; D501-L503 HydrophobicContact CB-CG 3.74Å; D501-L503 PolarHBondContact O-N 3.45Å; L503-Q505 PolarHBondContact O-N 3.37Å; L503-Q505 VanDerWaalsContact O-N 3.13Å; L503-Y506 HydrophobicContact CB-CD2 4Å; L503-Y506 HydrophobicContact CB-CE2 4.43Å; L503-Y506 HydrophobicContact CD2-CE2 4.37Å; L503-Y506 PolarHBondContact O-N 3.03Å
504T87.3Confident79.7Confident77 Ų77116.6 Ų116.647%0.47257%0.57SS.*G310 helixtrans-60.2-26.3-173.456.90000114.1L499 N502 Y506 L507 E508L499-T504 HydrophobicContact CD2-CG2 4.47Å; N502-T504 PolarHBondContact O-N 3.41Å; T504-Y506 PolarHBondContact O-N 3.06Å; T504-Y506 VanDerWaalsContact O-N 3.1Å; T504-L507 WeakPolarHBondContact O-CA 3.27Å; T504-L507 WeakPolarHBondContact O-CB 3.23Å; T504-L507 PolarHBondContact O-N 3.16Å; T504-E508 PolarHBondContact O-N 3.22Å
505Q84.9Confident77Confident130 Ų130115.7 Ų115.761%0.60758%0.583SS**G310 helixtrans-57.4-24.1177.170.9-179.932.200114L503L503-Q505 PolarHBondContact O-N 3.37Å; L503-Q505 VanDerWaalsContact O-N 3.13Å
506Y84.1Confident74.4Confident155 Ų155119.6 Ų119.661%0.60860%0.599SS**G310 helixtrans-87.7-4.7176.8-61.9-86.2000113.3L498 L503 T504L498-Y506 HydrophobicContact CD2-CD2 4.45Å; L503-Y506 HydrophobicContact CB-CD2 4Å; L503-Y506 HydrophobicContact CB-CE2 4.43Å; L503-Y506 HydrophobicContact CD2-CE2 4.37Å; L503-Y506 PolarHBondContact O-N 3.03Å; T504-Y506 PolarHBondContact O-N 3.06Å; T504-Y506 VanDerWaalsContact O-N 3.1Å
507L83.3Confident71.9Confident68 Ų68124.7 Ų124.736%0.35662%0.623SS.*THydrogen-bonded Turntrans-101.1-11.1174.4-57.2177.3000112.1R495 L498 L499 T504 L509R495-L507 HydrophobicContact CB-CD2 4.44Å; R495-L507 HydrophobicContact CG-CD1 4.41Å; R495-L507 HydrophobicContact CG-CD2 4.08Å; L498-L507 HydrophobicContact CB-CD1 4.23Å; L498-L507 HydrophobicContact CB-CD2 4.16Å; L498-L507 HydrophobicContact CB-CG 4.22Å; L498-L507 HydrophobicContact CD1-CD2 3.75Å; L498-L507 HydrophobicContact CD1-CG 4.4Å; L499-L507 HydrophobicContact CD2-CD1 3.58Å; L499-L507 HydrophobicContact CG-CD1 3.74Å; T504-L507 WeakPolarHBondContact O-CA 3.27Å; T504-L507 WeakPolarHBondContact O-CB 3.23Å; T504-L507 PolarHBondContact O-N 3.16Å; L507-L509 PolarHBondContact O-N 2.97Å
508E78.3Confident69Low119 Ų119121.3 Ų121.356%0.55663%0.633SS**SBendtrans-73.6122.2169.1-69.9-165.3-142.100110T504 R511T504-E508 PolarHBondContact O-N 3.22Å; E508-R511 IonicContact OE2-NH2 2.73Å
509L74.4Confident66.5Low156 Ų156127 Ų12782%0.81767%0.669SS**PPolyproline II helixtrans-60.1136166.7-71.9171.2000109L507 R511L507-L509 PolarHBondContact O-N 2.97Å; L509-R511 PolarHBondContact O-N 2.87Å
510P67.4Low63.6Low111 Ų111127.3 Ų127.372%0.72169%0.691SS**PPolyproline II helixtrans-51127172.5-27.134.9000110.3E512P510-E512 PolarHBondContact O-N 2.9Å
511R53.5Low61Low212 Ų212126.1 Ų126.180%0.870%0.698SS**  trans-72.781.3176.1-63.6-172.1-169.6-165.44.5109.1E508 L509 T513E508-R511 IonicContact OE2-NH2 2.73Å; L509-R511 PolarHBondContact O-N 2.87Å; R511-T513 PolarHBondContact O-N 3.35Å
512E49.7Very low58.2Low153 Ų153127.7 Ų127.772%0.71572%0.717SS**  trans-61.298171.2-78.6-163.3-134.900109.7P510 N514P510-E512 PolarHBondContact O-N 2.9Å; E512-N514 PolarHBondContact O-N 3.11Å; E512-N514 PolarHBondContact OE2-ND2 2.76Å
513T43.4Very low55.6Low136 Ų136123.6 Ų123.683%0.83471%0.707SS**  trans-75.345.1172.853.30000111.6R511 G515R511-T513 PolarHBondContact O-N 3.35Å; T513-G515 PolarHBondContact O-N 2.64Å
514N44.5Very low52.9Low127 Ų127127.6 Ų127.668%0.67973%0.734SS**  trans-88.779.5173.4-79.8-38.3000108.8E512 Y516E512-N514 PolarHBondContact O-N 3.11Å; E512-N514 PolarHBondContact OE2-ND2 2.76Å; N514-Y516 PolarHBondContact O-N 3.21Å; N514-Y516 VanDerWaalsContact O-N 3.1Å
515G36.9Very low50.4Low72 Ų72131.7 Ų131.774%0.74275%0.751SS**  trans-72.299.8-171.900000114.3T513T513-G515 PolarHBondContact O-N 2.64Å
516Y38.9Very low47.9Very low217 Ų217130.1 Ų130.185%0.85175%0.754SS**  trans-144.3124158-106.7-84.4000110.2N514N514-Y516 PolarHBondContact O-N 3.21Å; N514-Y516 VanDerWaalsContact O-N 3.1Å
517M41.6Very low45.4Very low184 Ų184131.6 Ų131.691%0.90677%0.772SS**  trans60.4109.3177.1-52.9-66-84.800115
518G31.8Very low43Very low75 Ų75133.3 Ų133.377%0.77379%0.79SS**  cis125.321.26.100000114.9
519T40.7Very low40.9Very low147 Ų147134.6 Ų134.690%0.90281%0.805SS**  trans-98.691.6168.543.70000110.3S521T519-S521 PolarHBondContact O-N 3.09Å
520G31.1Very low38.8Very low83 Ų83139 Ų13986%0.85681%0.811SS**  trans-71126.1179.900000112.5
521S36.4Very low36.9Very low113 Ų113137 Ų13779%0.7981%0.811SS**  trans-119.869.1173.5-173.70000111.4T519 G523T519-S521 PolarHBondContact O-N 3.09Å; S521-G523 VanDerWaalsContact C-N 3.25Å; S521-G523 PolarHBondContact O-N 2.85Å
522S35.1Very low36Very low142 Ų142132.8 Ų132.899%0.99381%0.814SS**  trans-72.584.3162.6-710000109.1
523G34.2Very low35.1Very low48 Ų48133.3 Ų133.350%0.49582%0.822SS.*  trans-158.784.9-174.800000111.6S521 I525S521-G523 VanDerWaalsContact C-N 3.25Å; S521-G523 PolarHBondContact O-N 2.85Å; G523-I525 PolarHBondContact O-N 2.82Å; G523-I525 VanDerWaalsContact O-N 3.1Å
524V33.3Very low34.7Very low155 Ų155131.4 Ų131.494%0.93982%0.82SS**  trans-65.6105.9170.2-80.10000109.8
525I34.4Very low34.2Very low162 Ų162132.2 Ų132.283%0.83182%0.824SS**  trans-117.9110.5170.1-61.2-177.5000107.8G523G523-I525 PolarHBondContact O-N 2.82Å; G523-I525 VanDerWaalsContact O-N 3.1Å
526S33.6Very low34Very low97 Ų97134.5 Ų134.568%0.67883%0.826SS**  trans-71.4142.2175.5460000111.2S528S526-S528 PolarHBondContact O-N 3.22Å
527L30.7Very low33.6Very low187 Ų187132.7 Ų132.798%0.97982%0.822SS**  trans-58.7110.4163.5-76.5158.5000108.7
528S34.1Very low33.1Very low104 Ų104131 Ų13173%0.72782%0.817SS**  trans-130.3123.317054.70000109.5S526 R530S526-S528 PolarHBondContact O-N 3.22Å; S528-R530 PolarHBondContact O-N 3.49Å
529V32.6Very low33.1Very low146 Ų146134.8 Ų134.889%0.88582%0.82SS**  trans-88.1111.3-171.1177.30000110.2
530R30.8Very low32.8Very low248 Ų248132.8 Ų132.894%0.93681%0.807SS**  trans-157.2122.2150.9-116.1173.7-175.7-145.4-2.3111S528S528-R530 PolarHBondContact O-N 3.49Å
531G28.1Very low32.6Very low70 Ų70139.2 Ų139.272%0.72281%0.805SS**  trans-89.6166.1-178.400000113.9
532S34.3Very low32.5Very low123 Ų123144.4 Ų144.486%0.8681%0.808SS**  trans-154.3142.7156.2-78.50000108.7
533N30.4Very low32.2Very low164 Ų164145.1 Ų145.188%0.87780%0.795SS**  trans-69.4140.3-162-56-40.7000114
534A35.6Very low31.9Very low96 Ų96148.1 Ų148.179%0.79381%0.809SS**  trans-140.4128.3154.200000108.3
535N33.3Very low31.9Very low144 Ų144146.7 Ų146.777%0.7780%0.801SS**  trans-86.1134.1-168.7-63.6-24.5000112.2F537N535-F537 PolarHBondContact O-N 3.44Å
536P32.2Very low31.9Very low119 Ų119146.6 Ų146.677%0.77380%0.8SS**  trans-95.162176.237.9-35000112.3
537F30.9Very low32Very low179 Ų179149.4 Ų149.479%0.78580%0.803SS**  trans-145.4103.3173.8-81-72.5000112N535N535-F537 PolarHBondContact O-N 3.44Å
538D31.7Very low32.4Very low149 Ų149146.4 Ų146.480%0.79779%0.794SS**  trans-146.376.6162.1-138.4-24.2000110.5V540D538-V540 PolarHBondContact O-N 2.94Å; D538-V540 VanDerWaalsContact O-N 3.13Å
539N31.3Very low32.7Very low154 Ų154147.7 Ų147.782%0.82479%0.789SS**  trans-89.869.6-169.7-136.2-8000110.6R541N539-R541 PolarHBondContact O-N 3.2Å
540V35.3Very low33.1Very low106 Ų106142.5 Ų142.564%0.64276%0.759SS**  trans-78.882.6-174-173.40000112D538 R542D538-V540 PolarHBondContact O-N 2.94Å; D538-V540 VanDerWaalsContact O-N 3.13Å; V540-R542 PolarHBondContact O-N 2.88Å
541R27.5Very low33.6Very low217 Ų217137.7 Ų137.782%0.81975%0.745SS**  trans-23.8121.3159174.1-174.3177.6175.41.3114.4N539N539-R541 PolarHBondContact O-N 3.2Å
542R33.1Very low34.4Very low223 Ų223136.1 Ų136.184%0.84272%0.72SS**  trans-141.9148.7157.4-68.6-166.8178.6-168.40.2110.5V540V540-R542 PolarHBondContact O-N 2.88Å
543E29.2Very low34.9Very low156 Ų156132.3 Ų132.373%0.72969%0.694SS**  trans-47.4130.3-173.8-96.259.8-159.800115.5T545E543-T545 PolarHBondContact O-N 3.1Å
544S28.8Very low35.7Very low112 Ų112130.4 Ų130.478%0.78368%0.677SS**  trans-85.187166.357.60000110.9I546S544-I546 PolarHBondContact O-N 2.72Å
545T31.8Very low36.3Very low125 Ų125129.4 Ų129.477%0.76766%0.658SS**  trans-75.1119161-57.60000108.1E543 E547E543-T545 PolarHBondContact O-N 3.1Å; T545-E547 PolarHBondContact O-N 2.82Å; T545-E547 VanDerWaalsContact O-N 3.13Å
546I35.7Very low36.9Very low160 Ų160125.1 Ų125.182%0.82164%0.639SS**  trans-8096.6-176.7-56.5175.1000109.2S544S544-I546 PolarHBondContact O-N 2.72Å
547E34.5Very low37.3Very low155 Ų155123.8 Ų123.872%0.72463%0.633SS**  trans-72.5150.9164.7-84.1-153126.700111.9T545 Q549T545-E547 PolarHBondContact O-N 2.82Å; T545-E547 VanDerWaalsContact O-N 3.13Å; E547-Q549 VanDerWaalsContact C-N 3.33Å; E547-Q549 PolarHBondContact O-N 2.62Å
548P39.1Very low37.9Very low124 Ų124119.9 Ų119.981%0.80562%0.62SS**  trans-73.883.8174.432.4-34.9000110.5S550P548-S550 PolarHBondContact O-N 2.68Å
549Q41Very low38Very low132 Ų132116.3 Ų116.362%0.61762%0.618SS**  trans-53.3127.9179.9-76.7-165.2-1100112.7E547E547-Q549 VanDerWaalsContact C-N 3.33Å; E547-Q549 PolarHBondContact O-N 2.62Å
550S41.2Very low38.5Very low36 Ų36113.7 Ų113.725%0.25260%0.602SS.*  trans-58.8154.7177.266.60000111.6D59 P548 L552 S553 K554D59-S550 VanDerWaalsContact OD2-CB 3.26Å; D59-S550 WeakPolarHBondContact OD2-CB 3.46Å; D59-S550 PolarHBondContact OD2-OG 3.01Å; P548-S550 PolarHBondContact O-N 2.68Å; S550-L552 PolarHBondContact O-N 3.49Å; S550-S553 WeakPolarHBondContact O-CA 3.42Å; S550-S553 VanDerWaalsContact O-CB 3.27Å; S550-S553 WeakPolarHBondContact O-CB 3.41Å; S550-S553 PolarHBondContact O-N 3.47Å; S550-S553 PolarHBondContact OG-N 2.92Å; S550-S553 PolarHBondContact OG-OG 3.24Å; S550-K554 PolarHBondContact O-N 2.86Å
551F41Very low38.3Very low148 Ų148116.2 Ų116.265%0.64961%0.612SS**Hα-helixtrans-56.2-37.2175.8-179-110.8000111.7S553 K554 I555F551-S553 VanDerWaalsContact C-N 3.34Å; F551-S553 PolarHBondContact O-N 3.22Å; F551-K554 PolarHBondContact O-N 2.9Å; F551-I555 HydrophobicContact CD1-CD1 3.87Å; F551-I555 HydrophobicContact CE1-CD1 3.52Å; F551-I555 HydrophobicContact CZ-CD1 3.99Å; F551-I555 PolarHBondContact O-N 2.98Å; F551-I555 VanDerWaalsContact O-N 3.13Å
552L43.8Very low38.8Very low36 Ų36109.7 Ų109.719%0.18860%0.604CS.*Hα-helixtrans-65.2-32.6174.4-57.8179.5000113.1F103 S550 I555 S556F103-L552 HydrophobicContact CG-CD2 4.43Å; S550-L552 PolarHBondContact O-N 3.49Å; L552-I555 PolarHBondContact O-N 3.26Å; L552-S556 WeakPolarHBondContact O-CB 3.12Å; L552-S556 PolarHBondContact O-N 2.84Å; L552-S556 PolarHBondContact O-OG 3.1Å
553S44.9Very low38.7Very low44 Ų44110.9 Ų110.931%0.30861%0.609SS.*Hα-helixtrans-64.6-39.8173.6-61.30000111.7S550 F551 S556 S557S550-S553 WeakPolarHBondContact O-CA 3.42Å; S550-S553 VanDerWaalsContact O-CB 3.27Å; S550-S553 WeakPolarHBondContact O-CB 3.41Å; S550-S553 PolarHBondContact O-N 3.47Å; S550-S553 PolarHBondContact OG-N 2.92Å; S550-S553 PolarHBondContact OG-OG 3.24Å; F551-S553 VanDerWaalsContact C-N 3.34Å; F551-S553 PolarHBondContact O-N 3.22Å; S553-S556 PolarHBondContact O-N 2.61Å; S553-S557 PolarHBondContact O-N 3.16Å; S553-S557 VanDerWaalsContact O-N 3.09Å
554K48.1Very low38.8Very low124 Ų124111.3 Ų111.354%0.53962%0.615SS.*Hα-helixtrans-65.9-45.7175.8-63.4-177.2-179.1-179.80111.6S550 F551 S556 S557 L558S550-K554 PolarHBondContact O-N 2.86Å; F551-K554 PolarHBondContact O-N 2.9Å; K554-S556 VanDerWaalsContact C-N 3.3Å; K554-S556 PolarHBondContact O-N 2.99Å; K554-S557 PolarHBondContact O-N 2.9Å; K554-S557 VanDerWaalsContact O-N 3.13Å; K554-S557 PolarHBondContact O-OG 2.85Å; K554-L558 PolarHBondContact O-N 2.8Å
555I48.2Very low39Very low74 Ų74109.2 Ų109.238%0.37961%0.611SS.*Hα-helixtrans-59.6-42.4173.8-66.5171.8000110.6F551 L552 S557 L558F551-I555 HydrophobicContact CD1-CD1 3.87Å; F551-I555 HydrophobicContact CE1-CD1 3.52Å; F551-I555 HydrophobicContact CZ-CD1 3.99Å; F551-I555 PolarHBondContact O-N 2.98Å; F551-I555 VanDerWaalsContact O-N 3.13Å; L552-I555 PolarHBondContact O-N 3.26Å; I555-S557 PolarHBondContact O-N 2.75Å; I555-L558 CarbonylContact O-C 3.51Å; I555-L558 PolarHBondContact O-N 3.07Å; I555-L558 VanDerWaalsContact O-O 3.13Å
556S44.8Very low38.9Very low54 Ų54110.8 Ų110.838%0.37862%0.615SS.*Hα-helixtrans-65.4-22.3178.2-57.30000113.7L552 S553 K554 L558L552-S556 WeakPolarHBondContact O-CB 3.12Å; L552-S556 PolarHBondContact O-N 2.84Å; L552-S556 PolarHBondContact O-OG 3.1Å; S553-S556 PolarHBondContact O-N 2.61Å; K554-S556 VanDerWaalsContact C-N 3.3Å; K554-S556 PolarHBondContact O-N 2.99Å; S556-L558 VanDerWaalsContact C-N 3.35Å
557S42.3Very low38.8Very low92 Ų92111.1 Ų111.164%0.64362%0.616SS**Hα-helixtrans-78.6-17.5172.176.10000113.6S553 K554 I555S553-S557 PolarHBondContact O-N 3.16Å; S553-S557 VanDerWaalsContact O-N 3.09Å; K554-S557 PolarHBondContact O-N 2.9Å; K554-S557 VanDerWaalsContact O-N 3.13Å; K554-S557 PolarHBondContact O-OG 2.85Å; I555-S557 PolarHBondContact O-N 2.75Å
558L43Very low38.7Very low97 Ų97110.8 Ų110.851%0.50862%0.618SS.*SBendtrans-96.187.3174-63171.8000108.6K554 I555 S556 M560K554-L558 PolarHBondContact O-N 2.8Å; I555-L558 CarbonylContact O-C 3.51Å; I555-L558 PolarHBondContact O-N 3.07Å; I555-L558 VanDerWaalsContact O-O 3.13Å; S556-L558 VanDerWaalsContact C-N 3.35Å; L558-M560 PolarHBondContact O-N 2.73Å
559G34Very low38.6Very low73 Ų73110 Ų11075%0.75361%0.613SS**  trans-67.246-170.500000117.3N561G559-N561 VanDerWaalsContact C-N 3.31Å; G559-N561 PolarHBondContact O-N 3.2Å
560M41.6Very low38.4Very low100 Ų100109.6 Ų109.649%0.49362%0.622SS.*  trans-79.466.3-173.7-60.7-160-174.500113.5L484 L558 A562L484-M560 HydrophobicContact CD1-SD 4.05Å; L558-M560 PolarHBondContact O-N 2.73Å; M560-A562 PolarHBondContact O-N 2.83Å
561N31.8Very low37.9Very low159 Ų159113.9 Ų113.985%0.8565%0.647SS**  trans-73.772.9163.5-97.4-58.6000110.8G559G559-N561 VanDerWaalsContact C-N 3.31Å; G559-N561 PolarHBondContact O-N 3.2Å
562A37.5Very low37.6Very low80 Ų80113.6 Ų113.666%0.66165%0.652SS**  trans-108.594.9-179.900000111.6M560 L564M560-A562 PolarHBondContact O-N 2.83Å; A562-L564 PolarHBondContact O-N 3.01Å
563R30Very low37.2Very low247 Ų247118 Ų11893%0.93268%0.676SS**  trans-73.7112.6165.1-76.3-179.1172.4-173.4-2.1109.5
564L32.9Very low36.6Very low165 Ų165124.2 Ų124.286%0.86470%0.7SS**  trans-132.3123.8159.6-73.8175.6000109.4A562A562-L564 PolarHBondContact O-N 3.01Å
565G32.1Very low35.9Very low68 Ų68126.4 Ų126.470%0.70172%0.717SS**  trans-106.2150.1172.400000110.7I567G565-I567 PolarHBondContact O-N 3.15Å
566N29.9Very low35.1Very low159 Ų159131.6 Ų131.685%0.8574%0.739SS**  trans-63.1120.9-168.4-52.9-1.5000113.8
567I33.5Very low34.7Very low166 Ų166133.6 Ų133.685%0.85176%0.759SS**  trans-140.8135.9152.4-55.9-177.1000108.2G565G565-I567 PolarHBondContact O-N 3.15Å
568I31.8Very low34.3Very low148 Ų148137.3 Ų137.376%0.75977%0.772SS**  trans-148.9147-172.1-63.7177.5000108.9
569P37Very low33.8Very low109 Ų109136.5 Ų136.571%0.70879%0.786SS**  cis-103.9-101.1-21.927.5-5.8000108.6
570P36.4Very low33.8Very low123 Ų123141.4 Ų141.480%0.79980%0.796SS**  cis-105-173.8-14.616.38.6000113.7
571T31.1Very low33.5Very low125 Ų125142.7 Ų142.777%0.76781%0.814SS**  trans-118.3143.6-176.952.20000113.8
572N35.1Very low33.6Very low142 Ų142139.8 Ų139.876%0.75981%0.812SS**  -171.5152.7122.5-115.6-23.7000117.1
573N34.7Very low33.4Very low130 Ų130143.1 Ų143.170%0.69582%0.819SS**  trans55.4108.9153.2-66.2-19.8000122.8
574Q32.5Very low33.7Very low174 Ų174139.1 Ų139.181%0.81382%0.815SS**  trans21.3131.5130.4-54.4-175.817.900120.7
575L33.9Very low33.6Very low169 Ų169134.9 Ų134.989%0.88581%0.812SS**  -158.3164.3108.9-107.4169.8000111.5
576Q31.6Very low33.5Very low184 Ų184135.5 Ų135.586%0.8682%0.818SS**  trans-112.9148.6-174.8-61.1172.5-15.700111.3
577A35.2Very low33.7Very low95 Ų95130.7 Ų130.779%0.78581%0.806SS**  162.1137.4122.500000114.6
578N34.3Very low33.5Very low171 Ų171126.8 Ų126.891%0.91481%0.806SS**  trans6.6136.5153.4-60.9-15.7000122
579G33.3Very low33.8Very low79 Ų79128.5 Ų128.581%0.81480%0.803SS**  trans-178.589.8157.900000114S581G579-S581 PolarHBondContact O-N 3.39Å
580N34.2Very low33.9Very low177 Ų177137.6 Ų137.695%0.94782%0.824SS**  trans-72.6125.7178-79.8-12.9000112.3
581S34.2Very low33.8Very low126 Ų126138.3 Ų138.388%0.88183%0.825SS**  trans-155.5127.4149.1-174.10000109.6G579G579-S581 PolarHBondContact O-N 3.39Å
582A34.2Very low33.9Very low98 Ų98139 Ų13981%0.8183%0.828SS**  trans-128.3116.2-179.800000110.4
583N33.6Very low33.9Very low150 Ų150138.8 Ų138.880%0.80283%0.832SS**  trans-163.1164.7154.8-143.5-27.1000110.8
584L36.2Very low33.8Very low163 Ų163139.4 Ų139.485%0.85384%0.84SS**  trans66.1122.4178.4-49168.5000113.6
585G31.1Very low33.9Very low77 Ų77137.2 Ų137.279%0.79484%0.842SS**  cis105.3991.200000112.4
586G30.6Very low33.9Very low81 Ų81135.1 Ų135.184%0.83584%0.839SS**  trans114.3152.9172.800000114.6
587G32.9Very low34.1Very low58 Ų58131.6 Ų131.660%0.59884%0.837SS**  trans88101.4175.500000114.4
588G29.8Very low34Very low83 Ų83134.4 Ų134.486%0.85684%0.841SS**  trans-75.2135.6153.800000108.9
589W38Very low33.9Very low184 Ų184131.3 Ų131.370%0.69784%0.835SS**  trans-143128.7-177.7-74.394.6000110.5
590W39.2Very low34Very low300 Ų300136.1 Ų136.1100%1.13684%0.837SS**  trans70.50171.6-37.5118.7000116

Retrieved 590 of 590 residues in 835.4 ms (Link to these results)

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