A0A087WPT4_MOUSE Loading...

Isocitrate dehydrogenase 1 (NADP+), soluble

AlphaFold DB , UniProt , Accession A0A087WPT4, Species MOUSE (Mus musculus, Mouse), Gene Idh1, Length 187 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
1M64.1Low90.7Very high243 Ų24395.9 Ų95.9100%1.19752%0.516SS*.  0137.80-67.2-177-160.700107.7
2S73.5Confident91.4Very high105 Ų10588.3 Ų88.373%0.73447%0.474SS*.PPolyproline II helixtrans-60.9142.7172.947.40000109.8K4S2-K4 PolarHBondContact O-N 2.65Å
3R85.9Confident91.9Very high232 Ų23281.8 Ų81.888%0.87544%0.44SS*.PPolyproline II helixtrans-67.1122.7176.9-174.4176.7-179.6177.50108.7
4K95.2Very high92.4Very high90 Ų9078.4 Ų78.439%0.39142%0.42SS..PPolyproline II helixtrans-67.7148.2174.1-64.7-173.4-177-174.10110.7S2 Q6 L32 Y34 E36S2-K4 PolarHBondContact O-N 2.65Å; K4-Q6 PolarHBondContact O-N 3.44Å; K4-L32 VanDerWaalsContact CE-O 3.29Å; K4-L32 WeakPolarHBondContact CE-O 3.37Å; K4-L32 PolarHBondContact NZ-O 3.34Å; K4-Y34 WeakPolarHBondContact CA-O 3.04Å; K4-E36 HydrophobicContact CB-CB 4.25Å; K4-E36 HydrophobicContact CD-CB 4.4Å
5I97.1Very high92.7Very high115 Ų11573.2 Ų73.259%0.5939%0.392SS*.EExtended strand (participates in β ladder)trans-67128.6171.1-59.7168.5000107.7Y34 V35 E36I5-Y34 PolarHBondContact N-O 3Å; I5-V35 HydrophobicContact CB-CG2 4.45Å; I5-V35 CarbonylContact O-C 3.57Å; I5-V35 WeakPolarHBondContact O-CA 3.45Å; I5-E36 PolarHBondContact O-N 3.35Å
6Q96.2Very high93.1Very high119 Ų11969.4 Ų69.456%0.55637%0.371SS*.EExtended strand (participates in β ladder)trans-80.9119.6175.8-60.6-63.2-60.700109K4 E36K4-Q6 PolarHBondContact O-N 3.44Å; Q6-E36 PolarHBondContact NE2-OE2 3.3Å
7G94.8Very high93.4Very high36 Ų3671.9 Ų71.937%0.37138%0.38SS..EExtended strand (participates in β ladder)trans-105174.3172.600000112.2E36G7-E36 WeakPolarHBondContact CA-O 3.19Å; G7-E36 PolarHBondContact N-O 3.34Å
8G95.9Very high93.6Very high52 Ų5274.2 Ų74.254%0.53639%0.39SS..EExtended strand (participates in β ladder)trans-91.8-170176.700000113.3
9S98.2Very high93.9Very high42 Ų4273.3 Ų73.329%0.29439%0.388SS..EExtended strand (participates in β ladder)trans-69.8133174.6-50.80000111.5D38S9-D38 CarbonylContact C-O 3.56Å; S9-D38 VanDerWaalsContact CA-O 3.27Å; S9-D38 WeakPolarHBondContact CA-O 3.35Å; S9-D38 PolarHBondContact OG-OD2 3.38Å
10V98.4Very high94.1Very high21 Ų2173.6 Ų73.613%0.12738%0.383CS..EExtended strand (participates in β ladder)trans-135.5130.9177.8175.70000109.2L37 D38 L39 H40 V69 V71V10-L37 HydrophobicContact CG2-CD2 4.22Å; V10-D38 PolarHBondContact N-O 3.11Å; V10-L39 HydrophobicContact CB-CD2 4.06Å; V10-L39 HydrophobicContact CG1-CD2 4.37Å; V10-L39 WeakPolarHBondContact O-CA 3.29Å; V10-H40 PolarHBondContact O-N 2.99Å; V10-V69 HydrophobicContact CG1-CG1 4.37Å; V10-V69 HydrophobicContact CG2-CG1 4.3Å; V10-V71 HydrophobicContact CG1-CG1 4.13Å; V10-V71 HydrophobicContact CG1-CG2 3.83Å
11V98.7Very high94.3Very high0 Ų074.9 Ų74.90%039%0.39CS..EExtended strand (participates in β ladder)trans-82119.1171.2-178.10000109.1H40 Y42 A63 I64 Y67 V69 G70 V71V11-H40 WeakPolarHBondContact CA-O 3.35Å; V11-H40 HydrophobicContact CG2-CB 4.42Å; V11-Y42 HydrophobicContact CG1-CD2 3.66Å; V11-Y42 HydrophobicContact CG1-CE2 3.8Å; V11-A63 HydrophobicContact CG1-CB 4.16Å; V11-A63 HydrophobicContact CG2-CB 3.81Å; V11-I64 HydrophobicContact CB-CG1 3.91Å; V11-I64 HydrophobicContact CG1-CG1 3.96Å; V11-I64 HydrophobicContact CG2-CG1 4.16Å; V11-Y67 HydrophobicContact CG2-CD2 3.87Å; V11-Y67 HydrophobicContact CG2-CG 4.46Å; V11-V69 PolarHBondContact N-O 3.3Å; V11-G70 CarbonylContact O-C 3.59Å; V11-G70 WeakPolarHBondContact O-CA 3.27Å; V11-V71 PolarHBondContact O-N 3.45Å
12E98.4Very high95.9Very high4 Ų467 Ų672%0.01935%0.352CS..EExtended strand (participates in β ladder)trans-98.2127.6175.1179.2-161.3-173.700109.5W23 K27 H40 S41 Y42E12-W23 HydrophobicContact CG-CZ2 4.06Å; E12-W23 PolarHBondContact OE1-NE1 3.39Å; E12-K27 WeakPolarHBondContact OE1-CD 3.32Å; E12-K27 VanDerWaalsContact OE1-CE 3.26Å; E12-K27 WeakPolarHBondContact OE1-CE 3.44Å; E12-K27 IonicContact OE1-NZ 3.63Å; E12-K27 PolarHBondContact OE1-NZ 3.41Å; E12-K27 IonicContact OE2-NZ 2.77Å; E12-H40 PolarHBondContact N-O 2.84Å; E12-S41 CarbonylContact O-C 3.58Å; E12-S41 WeakPolarHBondContact O-CA 3.11Å; E12-S41 WeakPolarHBondContact OE2-CB 3.48Å; E12-S41 PolarHBondContact OE2-OG 2.84Å; E12-Y42 PolarHBondContact O-N 3.04Å
13M98.7Very high97.1Very high5 Ų564.2 Ų64.23%0.02533%0.325CS..EExtended strand (participates in β ladder)trans-114.5108.8171.4-69.3160.4-82.600110.1Y42 L44 A60 I64 V71 K72 C73 I99M13-Y42 CarbonylContact C-O 3.54Å; M13-Y42 WeakPolarHBondContact CA-O 3.47Å; M13-L44 HydrophobicContact CB-CD1 3.75Å; M13-L44 HydrophobicContact CB-CG 4.02Å; M13-L44 HydrophobicContact CG-CD1 3.73Å; M13-L44 HydrophobicContact CG-CG 4.17Å; M13-L44 HydrophobicContact SD-CD1 3.97Å; M13-A60 HydrophobicContact CG-CB 3.84Å; M13-A60 HydrophobicContact SD-CB 4.14Å; M13-I64 HydrophobicContact CE-CD1 3.45Å; M13-I64 VanDerWaalsContact CE-CD1 3.45Å; M13-I64 HydrophobicContact CE-CG1 4.23Å; M13-I64 HydrophobicContact SD-CD1 3.89Å; M13-V71 PolarHBondContact N-O 2.8Å; M13-K72 HydrophobicContact CB-CB 4.08Å; M13-K72 HydrophobicContact CB-CG 3.96Å; M13-K72 HydrophobicContact CE-CB 3.74Å; M13-K72 HydrophobicContact CE-CG 4.49Å; M13-K72 HydrophobicContact SD-CB 4.15Å; M13-K72 HydrophobicContact SD-CD 4.06Å; M13-K72 HydrophobicContact SD-CG 4.25Å; M13-C73 WeakPolarHBondContact O-CB 3.44Å; M13-C73 PolarHBondContact O-N 2.88Å; M13-I99 HydrophobicContact SD-CD1 3.61Å
14Q98.1Very high97.6Very high34 Ų3455.8 Ų55.816%0.15930%0.296CS..EExtended strand (participates in β ladder)trans-72.7164.7175.7-55.4-178.210.300111Y42 L44Q14-Y42 PolarHBondContact N-O 3.06Å; Q14-L44 VanDerWaalsContact O-CB 3.31Å; Q14-L44 WeakPolarHBondContact O-CB 3.48Å; Q14-L44 PolarHBondContact O-N 2.92Å
15G97.9Very high97.7Very high0 Ų055.3 Ų55.30%030%0.297CS..  trans-137.6-153.7-169.500000113.3R20 A74G15-R20 VanDerWaalsContact O-CD 3.31Å; G15-R20 WeakPolarHBondContact O-CD 3.47Å; G15-R20 WeakPolarHBondContact O-CG 3.39Å; G15-R20 PolarHBondContact O-NH1 2.85Å; G15-A74 CarbonylContact C-O 3.52Å; G15-A74 WeakPolarHBondContact CA-O 3.37Å
16D98.4Very high97.8Very high13 Ų1352.8 Ų52.87%0.0728%0.284CS..  trans-121.7165.8-168.8-65.2-64.9000112.9T19 R20 G45 I46 A74 T75 I76D16-T19 PolarHBondContact O-N 3.42Å; D16-T19 PolarHBondContact O-OG1 2.88Å; D16-R20 PolarHBondContact O-N 2.88Å; D16-R20 VanDerWaalsContact O-N 3.07Å; D16-G45 WeakPolarHBondContact OD1-CA 3.09Å; D16-I46 PolarHBondContact OD1-N 3.1Å; D16-A74 PolarHBondContact N-O 2.89Å; D16-T75 WeakPolarHBondContact OD2-CA 3.27Å; D16-I76 HydrophobicContact CB-CB 4.49Å; D16-I76 HydrophobicContact CB-CD1 3.8Å; D16-I76 HydrophobicContact CB-CG1 3.74Å; D16-I76 PolarHBondContact OD2-N 2.78Å
17E97.9Very high97.8Very high112 Ų11248.2 Ų48.252%0.52326%0.262SS..Hα-helixtrans49.9-140.2169.5-57.1-178.6133.700113.5T19 R20 I76 R82E17-T19 PolarHBondContact O-N 3.3Å; E17-R20 WeakPolarHBondContact O-CB 3.31Å; E17-R20 PolarHBondContact O-N 3.37Å; E17-I76 HydrophobicContact CG-CD1 4Å; E17-I76 HydrophobicContact CG-CG1 4.42Å; E17-R82 IonicContact OE1-CZ 3.47Å; E17-R82 IonicContact OE1-NH1 3.14Å; E17-R82 PolarHBondContact OE1-NH1 2.94Å; E17-R82 IonicContact OE1-NH2 3.97Å; E17-R82 PolarHBondContact OE1-NH2 2.79Å; E17-R82 IonicContact OE2-NH2 3.58Å
18M98.3Very high97.9Very high113 Ų11352.2 Ų52.256%0.55727%0.271SS*.Hα-helixtrans-61.3-31.6-177.7-167.163.6-130.400112.2R20 I21 I22M18-R20 VanDerWaalsContact C-N 3.32Å; M18-R20 PolarHBondContact O-N 2.87Å; M18-I21 HydrophobicContact CE-CB 3.98Å; M18-I21 HydrophobicContact CE-CD1 4.39Å; M18-I21 HydrophobicContact CE-CG2 4Å; M18-I21 PolarHBondContact O-N 3.35Å; M18-I21 HydrophobicContact SD-CD1 4.4Å; M18-I22 HydrophobicContact CE-CD1 4.09Å; M18-I22 HydrophobicContact CE-CG1 3.79Å; M18-I22 HydrophobicContact CG-CD1 3.97Å; M18-I22 WeakPolarHBondContact O-CG1 2.9Å; M18-I22 PolarHBondContact O-N 2.85Å
19T97.9Very high98Very high56 Ų5656 Ų5634%0.34427%0.273SS..Hα-helixtrans-68-32.818054.50000112.4D16 E17 I22 W23 C73 A74D16-T19 PolarHBondContact O-N 3.42Å; D16-T19 PolarHBondContact O-OG1 2.88Å; E17-T19 PolarHBondContact O-N 3.3Å; T19-I22 PolarHBondContact O-N 3.39Å; T19-W23 WeakPolarHBondContact O-CB 3.36Å; T19-W23 PolarHBondContact O-N 2.91Å; T19-C73 VanDerWaalsContact CB-SG 3.58Å; T19-C73 PolarHBondContact O-SG 2.89Å; T19-C73 VanDerWaalsContact O-SG 3.35Å; T19-A74 HydrophobicContact CG2-CB 3.94Å; T19-A74 PolarHBondContact OG1-O 2.85Å
20R97.9Very high97.9Very high80 Ų8059.2 Ų59.230%0.30229%0.286SS..Hα-helixtrans-60.8-44.5172.8-168-177.7-175.8107.1-4.5111.7G15 D16 E17 M18 W23 E24 D43G15-R20 VanDerWaalsContact O-CD 3.31Å; G15-R20 WeakPolarHBondContact O-CD 3.47Å; G15-R20 WeakPolarHBondContact O-CG 3.39Å; G15-R20 PolarHBondContact O-NH1 2.85Å; D16-R20 PolarHBondContact O-N 2.88Å; D16-R20 VanDerWaalsContact O-N 3.07Å; E17-R20 WeakPolarHBondContact O-CB 3.31Å; E17-R20 PolarHBondContact O-N 3.37Å; M18-R20 VanDerWaalsContact C-N 3.32Å; M18-R20 PolarHBondContact O-N 2.87Å; R20-W23 WeakPolarHBondContact O-CB 3.33Å; R20-W23 PolarHBondContact O-N 2.87Å; R20-E24 PolarHBondContact O-N 3.04Å; R20-D43 IonicContact CZ-OD1 2.93Å; R20-D43 IonicContact CZ-OD2 2.77Å; R20-D43 IonicContact NH1-OD1 3.84Å; R20-D43 PolarHBondContact NH1-OD1 2.81Å; R20-D43 IonicContact NH1-OD2 3.54Å; R20-D43 PolarHBondContact NH1-OD2 3.03Å; R20-D43 IonicContact NH2-OD1 3.51Å; R20-D43 IonicContact NH2-OD2 2.77Å; R20-D43 PolarHBondContact NH2-OD2 3.38Å
21I97.8Very high97.9Very high101 Ų10161.3 Ų61.352%0.51830%0.296SS..Hα-helixtrans-65.1-47179.1-58.1174.2000110.8M18 W23 E24 L25M18-I21 HydrophobicContact CE-CB 3.98Å; M18-I21 HydrophobicContact CE-CD1 4.39Å; M18-I21 HydrophobicContact CE-CG2 4Å; M18-I21 PolarHBondContact O-N 3.35Å; M18-I21 HydrophobicContact SD-CD1 4.4Å; I21-W23 VanDerWaalsContact C-N 3.28Å; I21-W23 PolarHBondContact O-N 3.18Å; I21-E24 PolarHBondContact O-N 3.05Å; I21-L25 PolarHBondContact O-N 3.44Å
22I98.4Very high97.8Very high77 Ų7764.2 Ų64.240%0.39531%0.311SS..Hα-helixtrans-63.1-37.8178.2-68.6167000110.9M18 T19 E24 L25 I26M18-I22 HydrophobicContact CE-CD1 4.09Å; M18-I22 HydrophobicContact CE-CG1 3.79Å; M18-I22 HydrophobicContact CG-CD1 3.97Å; M18-I22 WeakPolarHBondContact O-CG1 2.9Å; M18-I22 PolarHBondContact O-N 2.85Å; T19-I22 PolarHBondContact O-N 3.39Å; I22-E24 PolarHBondContact O-N 3.35Å; I22-L25 PolarHBondContact O-N 2.94Å; I22-I26 HydrophobicContact CG2-CD1 3.71Å; I22-I26 HydrophobicContact CG2-CG1 4.2Å; I22-I26 WeakPolarHBondContact O-CG1 3.41Å; I22-I26 PolarHBondContact O-N 2.89Å
23W98.1Very high97.7Very high46 Ų4666.6 Ų66.617%0.17433%0.327CS..Hα-helixtrans-60.1-45.9179.4-175.5-106.5000112.4E12 T19 R20 I21 L25 I26 K27 V71 C73E12-W23 HydrophobicContact CG-CZ2 4.06Å; E12-W23 PolarHBondContact OE1-NE1 3.39Å; T19-W23 WeakPolarHBondContact O-CB 3.36Å; T19-W23 PolarHBondContact O-N 2.91Å; R20-W23 WeakPolarHBondContact O-CB 3.33Å; R20-W23 PolarHBondContact O-N 2.87Å; I21-W23 VanDerWaalsContact C-N 3.28Å; I21-W23 PolarHBondContact O-N 3.18Å; W23-L25 PolarHBondContact O-N 2.83Å; W23-I26 PolarHBondContact O-N 2.78Å; W23-K27 PolarHBondContact O-N 3.05Å; W23-V71 HydrophobicContact CH2-CB 3.9Å; W23-V71 HydrophobicContact CH2-CG2 3.73Å; W23-V71 HydrophobicContact CZ2-CB 4.37Å; W23-V71 HydrophobicContact CZ2-CG2 3.73Å; W23-C73 HydrophobicContact CB-CB 4.43Å; W23-C73 HydrophobicContact CD2-CB 4.21Å; W23-C73 HydrophobicContact CG-CB 4.15Å
24E96.9Very high97.6Very high56 Ų5673.1 Ų73.126%0.26235%0.352SS..Hα-helixtrans-60.2-45.4174.7-66.9-52135.400111.6R20 I21 I22 I26 K27 E28R20-E24 PolarHBondContact O-N 3.04Å; I21-E24 PolarHBondContact O-N 3.05Å; I22-E24 PolarHBondContact O-N 3.35Å; E24-I26 VanDerWaalsContact C-N 3.33Å; E24-I26 PolarHBondContact O-N 3.47Å; E24-K27 VanDerWaalsContact CD-CE 3.46Å; E24-K27 PolarHBondContact O-N 3.41Å; E24-K27 WeakPolarHBondContact OE1-CE 3.03Å; E24-K27 IonicContact OE1-NZ 3.31Å; E24-K27 PolarHBondContact OE1-NZ 3.05Å; E24-K27 WeakPolarHBondContact OE2-CE 3.36Å; E24-K27 IonicContact OE2-NZ 2.69Å; E24-K27 PolarHBondContact OE2-NZ 3.35Å; E24-E28 WeakPolarHBondContact O-CB 3.49Å; E24-E28 WeakPolarHBondContact O-CG 3.44Å; E24-E28 PolarHBondContact O-N 3.14Å
25L98.2Very high97.6Very high80 Ų8073.2 Ų73.242%0.41936%0.355SS..Hα-helixtrans-61-40177.6-67.4175.1000112.8I21 I22 W23 K29I21-L25 PolarHBondContact O-N 3.44Å; I22-L25 PolarHBondContact O-N 2.94Å; W23-L25 PolarHBondContact O-N 2.83Å; L25-K29 HydrophobicContact CD2-CD 4.38Å; L25-K29 VanDerWaalsContact O-CB 3.26Å; L25-K29 WeakPolarHBondContact O-CB 3.48Å; L25-K29 PolarHBondContact O-N 3.36Å
26I98.1Very high97.5Very high61 Ų6178.1 Ų78.131%0.31338%0.378SS..Hα-helixtrans-61.8-50.6176.1-70.9167.4000109.8I22 W23 E24 L30 I31I22-I26 HydrophobicContact CG2-CD1 3.71Å; I22-I26 HydrophobicContact CG2-CG1 4.2Å; I22-I26 WeakPolarHBondContact O-CG1 3.41Å; I22-I26 PolarHBondContact O-N 2.89Å; W23-I26 PolarHBondContact O-N 2.78Å; E24-I26 VanDerWaalsContact C-N 3.33Å; E24-I26 PolarHBondContact O-N 3.47Å; I26-L30 HydrophobicContact CG1-CD1 4.41Å; I26-L30 WeakPolarHBondContact O-CA 3.32Å; I26-L30 VanDerWaalsContact O-CB 3.26Å; I26-L30 WeakPolarHBondContact O-CB 3.38Å; I26-L30 PolarHBondContact O-N 3.05Å; I26-I31 HydrophobicContact CG2-CG1 4.16Å; I26-I31 PolarHBondContact O-N 3.06Å
27K96.3Very high97.4Very high24 Ų2479.9 Ų79.910%0.10439%0.387CS..Iπ-helixtrans-59.7-54.1-179.5-72.7-173.1-59.9177.40111.7E12 W23 E24 I31 L32E12-K27 WeakPolarHBondContact OE1-CD 3.32Å; E12-K27 VanDerWaalsContact OE1-CE 3.26Å; E12-K27 WeakPolarHBondContact OE1-CE 3.44Å; E12-K27 IonicContact OE1-NZ 3.63Å; E12-K27 PolarHBondContact OE1-NZ 3.41Å; E12-K27 IonicContact OE2-NZ 2.77Å; W23-K27 PolarHBondContact O-N 3.05Å; E24-K27 VanDerWaalsContact CD-CE 3.46Å; E24-K27 PolarHBondContact O-N 3.41Å; E24-K27 WeakPolarHBondContact OE1-CE 3.03Å; E24-K27 IonicContact OE1-NZ 3.31Å; E24-K27 PolarHBondContact OE1-NZ 3.05Å; E24-K27 WeakPolarHBondContact OE2-CE 3.36Å; E24-K27 IonicContact OE2-NZ 2.69Å; E24-K27 PolarHBondContact OE2-NZ 3.35Å; K27-I31 PolarHBondContact O-N 2.81Å; K27-L32 HydrophobicContact CB-CD1 4.36Å; K27-L32 WeakPolarHBondContact O-CB 3.19Å; K27-L32 WeakPolarHBondContact O-CG 3.47Å; K27-L32 PolarHBondContact O-N 2.96Å
28E96.8Very high97.4Very high119 Ų11978.4 Ų78.456%0.55638%0.383SS*.Iπ-helixtrans-70.3-36.3-171.4-70-174.3160.300113E24 P33E24-E28 WeakPolarHBondContact O-CB 3.49Å; E24-E28 WeakPolarHBondContact O-CG 3.44Å; E24-E28 PolarHBondContact O-N 3.14Å; E28-P33 WeakPolarHBondContact O-CD 3.46Å; E28-P33 WeakPolarHBondContact O-CG 3.47Å
29K97.8Very high97.4Very high132 Ų13275.5 Ų75.557%0.57437%0.369SS*.Iπ-helixtrans-99.4-28.6-173.6-58.7-170.6176.1-175.80113.7L25L25-K29 HydrophobicContact CD2-CD 4.38Å; L25-K29 VanDerWaalsContact O-CB 3.26Å; L25-K29 WeakPolarHBondContact O-CB 3.48Å; L25-K29 PolarHBondContact O-N 3.36Å
30L97.8Very high97.4Very high110 Ų11074.5 Ų74.558%0.57636%0.361SS*.Iπ-helixtrans-115.3-23.1-169.3-50.9179.7000113.9I26 Y34I26-L30 HydrophobicContact CG1-CD1 4.41Å; I26-L30 WeakPolarHBondContact O-CA 3.32Å; I26-L30 VanDerWaalsContact O-CB 3.26Å; I26-L30 WeakPolarHBondContact O-CB 3.38Å; I26-L30 PolarHBondContact O-N 3.05Å; L30-Y34 WeakPolarHBondContact O-CD2 3.39Å
31I97.1Very high97.4Very high65 Ų6573.8 Ų73.833%0.33337%0.368SS..Iπ-helixtrans-110.8-67.3-176.2-51.7-60000111.7I26 K27 P33 Y34 V35 L37I26-I31 HydrophobicContact CG2-CG1 4.16Å; I26-I31 PolarHBondContact O-N 3.06Å; K27-I31 PolarHBondContact O-N 2.81Å; I31-P33 VanDerWaalsContact C-N 3.34Å; I31-Y34 PolarHBondContact O-N 2.93Å; I31-V35 HydrophobicContact CG2-CB 4.36Å; I31-V35 PolarHBondContact O-N 3.14Å; I31-L37 HydrophobicContact CG2-CD1 3.92Å
32L96Very high97.4Very high61 Ų6171.8 Ų71.832%0.31935%0.354SS..THydrogen-bonded Turntrans-62.6-25-171-62.3179.9000115.7K4 K27 Y34 L39K4-L32 VanDerWaalsContact CE-O 3.29Å; K4-L32 WeakPolarHBondContact CE-O 3.37Å; K4-L32 PolarHBondContact NZ-O 3.34Å; K27-L32 HydrophobicContact CB-CD1 4.36Å; K27-L32 WeakPolarHBondContact O-CB 3.19Å; K27-L32 WeakPolarHBondContact O-CG 3.47Å; K27-L32 PolarHBondContact O-N 2.96Å; L32-Y34 PolarHBondContact O-N 3.15Å; L32-L39 HydrophobicContact CD2-CD1 4.08Å
33P96.8Very high97.4Very high53 Ų5370.1 Ų70.134%0.34435%0.346SS..THydrogen-bonded Turntrans-66-25.6170.8-24.936.5000113.3E28 I31E28-P33 WeakPolarHBondContact O-CD 3.46Å; E28-P33 WeakPolarHBondContact O-CG 3.47Å; I31-P33 VanDerWaalsContact C-N 3.34Å
34Y97.1Very high97.5Very high143 Ų14368 Ų6856%0.56134%0.338SS*.THydrogen-bonded Turntrans-115.2-26.3-170.1-50.6-75.7000113.6K4 I5 L30 I31 L32K4-Y34 WeakPolarHBondContact CA-O 3.04Å; I5-Y34 PolarHBondContact N-O 3Å; L30-Y34 WeakPolarHBondContact O-CD2 3.39Å; I31-Y34 PolarHBondContact O-N 2.93Å; L32-Y34 PolarHBondContact O-N 3.15Å
35V97.4Very high97.5Very high35 Ų3565.4 Ų65.421%0.21233%0.327CS..EExtended strand (participates in β ladder)trans-125.8132.7-175.9-166.80000110I5 I31 L37I5-V35 HydrophobicContact CB-CG2 4.45Å; I5-V35 CarbonylContact O-C 3.57Å; I5-V35 WeakPolarHBondContact O-CA 3.45Å; I31-V35 HydrophobicContact CG2-CB 4.36Å; I31-V35 PolarHBondContact O-N 3.14Å; V35-L37 HydrophobicContact CG1-CD1 4.48Å; V35-L37 HydrophobicContact CG1-CD2 3.92Å; V35-L37 HydrophobicContact CG1-CG 3.88Å
36E96.8Very high97.5Very high103 Ų10361.7 Ų61.748%0.48131%0.308SS..EExtended strand (participates in β ladder)trans-96.8120.6169.9-174.6167.2-168.800108.6K4 I5 Q6 G7K4-E36 HydrophobicContact CB-CB 4.25Å; K4-E36 HydrophobicContact CD-CB 4.4Å; I5-E36 PolarHBondContact O-N 3.35Å; Q6-E36 PolarHBondContact NE2-OE2 3.3Å; G7-E36 WeakPolarHBondContact CA-O 3.19Å; G7-E36 PolarHBondContact N-O 3.34Å
37L96.4Very high97.5Very high50 Ų5065.8 Ų65.826%0.26233%0.325SS..EExtended strand (participates in β ladder)trans-125.9142.6-174.6-69.3170.7000110V10 I31 V35 L39V10-L37 HydrophobicContact CG2-CD2 4.22Å; I31-L37 HydrophobicContact CG2-CD1 3.92Å; V35-L37 HydrophobicContact CG1-CD1 4.48Å; V35-L37 HydrophobicContact CG1-CD2 3.92Å; V35-L37 HydrophobicContact CG1-CG 3.88Å; L37-L39 HydrophobicContact CB-CD2 3.95Å; L37-L39 HydrophobicContact CB-CG 3.83Å; L37-L39 HydrophobicContact CD1-CD2 4.04Å; L37-L39 PolarHBondContact O-N 2.94Å
38D97.3Very high97.6Very high81 Ų8167.1 Ų67.143%0.43333%0.334SS..EExtended strand (participates in β ladder)trans-82.791.2164.4175.432.4000108.3S9 V10 H40S9-D38 CarbonylContact C-O 3.56Å; S9-D38 VanDerWaalsContact CA-O 3.27Å; S9-D38 WeakPolarHBondContact CA-O 3.35Å; S9-D38 PolarHBondContact OG-OD2 3.38Å; V10-D38 PolarHBondContact N-O 3.11Å; D38-H40 IonicContact OD1-CE1 3.57Å; D38-H40 IonicContact OD1-NE2 3.32Å; D38-H40 IonicContact OD2-CE1 4Å; D38-H40 IonicContact OD2-NE2 3.14Å; D38-H40 PolarHBondContact OD2-NE2 3.14Å
39L97.4Very high97.7Very high52 Ų5261.4 Ų61.427%0.27231%0.307SS..EExtended strand (participates in β ladder)trans-90.1121.2-174.9-69.9176.6000111.3V10 L32 L37V10-L39 HydrophobicContact CB-CD2 4.06Å; V10-L39 HydrophobicContact CG1-CD2 4.37Å; V10-L39 WeakPolarHBondContact O-CA 3.29Å; L32-L39 HydrophobicContact CD2-CD1 4.08Å; L37-L39 HydrophobicContact CB-CD2 3.95Å; L37-L39 HydrophobicContact CB-CG 3.83Å; L37-L39 HydrophobicContact CD1-CD2 4.04Å; L37-L39 PolarHBondContact O-N 2.94Å
40H98.3Very high97.8Very high35 Ų3556.1 Ų56.116%0.16229%0.285CS..EExtended strand (participates in β ladder)trans-99.195.9168.2-55.2-64.1000109.1V10 V11 E12 D38 Y42 Y67V10-H40 PolarHBondContact O-N 2.99Å; V11-H40 WeakPolarHBondContact CA-O 3.35Å; V11-H40 HydrophobicContact CG2-CB 4.42Å; E12-H40 PolarHBondContact N-O 2.84Å; D38-H40 IonicContact OD1-CE1 3.57Å; D38-H40 IonicContact OD1-NE2 3.32Å; D38-H40 IonicContact OD2-CE1 4Å; D38-H40 IonicContact OD2-NE2 3.14Å; D38-H40 PolarHBondContact OD2-NE2 3.14Å; H40-Y42 HydrophobicContact CB-CE2 4.05Å; H40-Y42 WeakPolarHBondContact O-CD2 3.42Å; H40-Y67 HydrophobicContact CB-CE2 4.36Å; H40-Y67 AromaticContact CD2-CD1 3.93Å; H40-Y67 AromaticContact CD2-CD2 3.32Å; H40-Y67 WeakPolarHBondContact CD2-CD2 3.42Å; H40-Y67 AromaticContact CD2-CE1 3.92Å; H40-Y67 AromaticContact CD2-CE2 3.27Å; H40-Y67 WeakPolarHBondContact CD2-CE2 3.45Å; H40-Y67 AromaticContact CD2-CG 3.64Å; H40-Y67 AromaticContact CD2-CZ 3.58Å; H40-Y67 AromaticContact CE1-CE1 3.94Å; H40-Y67 AromaticContact CE1-CE2 3.89Å; H40-Y67 AromaticContact CE1-CZ 3.51Å; H40-Y67 PolarHBondContact CE1-OH 2.81Å; H40-Y67 AromaticContact CG-CD2 3.97Å; H40-Y67 AromaticContact CG-CE2 3.61Å; H40-Y67 AromaticContact ND1-CE2 3.96Å; H40-Y67 AromaticContact ND1-CZ 3.99Å; H40-Y67 AromaticContact NE2-CD1 3.59Å; H40-Y67 AromaticContact NE2-CD2 3.76Å; H40-Y67 AromaticContact NE2-CE1 3.27Å; H40-Y67 VanDerWaalsContact NE2-CE1 3.27Å; H40-Y67 WeakPolarHBondContact NE2-CE1 3.35Å; H40-Y67 AromaticContact NE2-CE2 3.44Å; H40-Y67 WeakPolarHBondContact NE2-CE2 3.27Å; H40-Y67 AromaticContact NE2-CG 3.82Å; H40-Y67 AromaticContact NE2-CZ 3.16Å
41S98.1Very high97.8Very high65 Ų6554 Ų5446%0.45528%0.283SS..EExtended strand (participates in β ladder)trans-90.4132.1-171.8-55.10000113.2E12E12-S41 CarbonylContact O-C 3.58Å; E12-S41 WeakPolarHBondContact O-CA 3.11Å; E12-S41 WeakPolarHBondContact OE2-CB 3.48Å; E12-S41 PolarHBondContact OE2-OG 2.84Å
42Y98.8Very high97.9Very high59 Ų5953.1 Ų53.123%0.23128%0.281CS..EExtended strand (participates in β ladder)trans-127.7123.5176.2-64.1-95.1000109.1V11 E12 M13 Q14 H40 L44 V56 D59 A60 A63V11-Y42 HydrophobicContact CG1-CD2 3.66Å; V11-Y42 HydrophobicContact CG1-CE2 3.8Å; E12-Y42 PolarHBondContact O-N 3.04Å; M13-Y42 CarbonylContact C-O 3.54Å; M13-Y42 WeakPolarHBondContact CA-O 3.47Å; Q14-Y42 PolarHBondContact N-O 3.06Å; H40-Y42 HydrophobicContact CB-CE2 4.05Å; H40-Y42 WeakPolarHBondContact O-CD2 3.42Å; Y42-L44 PolarHBondContact O-N 2.97Å; Y42-V56 HydrophobicContact CD1-CG2 4.23Å; Y42-D59 HydrophobicContact CD1-CB 4.24Å; Y42-D59 HydrophobicContact CE1-CB 3.85Å; Y42-A60 HydrophobicContact CD1-CB 4.01Å; Y42-A60 HydrophobicContact CD2-CB 4.11Å; Y42-A60 HydrophobicContact CG-CB 3.69Å; Y42-A63 HydrophobicContact CE2-CB 3.54Å; Y42-A63 VanDerWaalsContact OH-CB 3.25Å; Y42-A63 WeakPolarHBondContact OH-CB 3.33Å
43D98.6Very high98Very high43 Ų4354.8 Ų54.823%0.2329%0.29CS..EExtended strand (participates in β ladder)trans-85.2104.2177.3-171.5-4.4000110.5R20 G45 N48R20-D43 IonicContact CZ-OD1 2.93Å; R20-D43 IonicContact CZ-OD2 2.77Å; R20-D43 IonicContact NH1-OD1 3.84Å; R20-D43 PolarHBondContact NH1-OD1 2.81Å; R20-D43 IonicContact NH1-OD2 3.54Å; R20-D43 PolarHBondContact NH1-OD2 3.03Å; R20-D43 IonicContact NH2-OD1 3.51Å; R20-D43 IonicContact NH2-OD2 2.77Å; R20-D43 PolarHBondContact NH2-OD2 3.38Å; D43-G45 VanDerWaalsContact C-N 3.3Å; D43-G45 WeakPolarHBondContact OD1-CA 3.36Å; D43-G45 PolarHBondContact OD1-N 3.35Å; D43-N48 HydrophobicContact CB-CB 4.28Å; D43-N48 PolarHBondContact O-ND2 2.95Å
44L98.7Very high98Very high0 Ų052.8 Ų52.80%028%0.277CS..  trans-94.114.8175.9-51-169.6000112.8M13 Q14 Y42 R49 V56 A60 T75 P95 I99M13-L44 HydrophobicContact CB-CD1 3.75Å; M13-L44 HydrophobicContact CB-CG 4.02Å; M13-L44 HydrophobicContact CG-CD1 3.73Å; M13-L44 HydrophobicContact CG-CG 4.17Å; M13-L44 HydrophobicContact SD-CD1 3.97Å; Q14-L44 VanDerWaalsContact O-CB 3.31Å; Q14-L44 WeakPolarHBondContact O-CB 3.48Å; Q14-L44 PolarHBondContact O-N 2.92Å; Y42-L44 PolarHBondContact O-N 2.97Å; L44-R49 VanDerWaalsContact O-CD 3.32Å; L44-R49 WeakPolarHBondContact O-CD 3.46Å; L44-R49 PolarHBondContact O-NE 3.48Å; L44-V56 HydrophobicContact CD2-CB 4.37Å; L44-V56 HydrophobicContact CD2-CG1 3.87Å; L44-V56 HydrophobicContact CD2-CG2 3.97Å; L44-A60 HydrophobicContact CD2-CB 4.22Å; L44-T75 HydrophobicContact CB-CG2 3.86Å; L44-P95 HydrophobicContact CD1-CB 4.42Å; L44-I99 HydrophobicContact CD1-CD1 3.97Å
45G98.3Very high98.1Very high3 Ų350 Ų503%0.03127%0.268CS..  trans-54.6144.6169.700000111.1D16 D43 E47 N48 R49D16-G45 WeakPolarHBondContact OD1-CA 3.09Å; D43-G45 VanDerWaalsContact C-N 3.3Å; D43-G45 WeakPolarHBondContact OD1-CA 3.36Å; D43-G45 PolarHBondContact OD1-N 3.35Å; G45-E47 PolarHBondContact O-N 3.39Å; G45-N48 PolarHBondContact O-N 2.98Å; G45-N48 VanDerWaalsContact O-N 3.1Å; G45-R49 PolarHBondContact O-N 3.43Å
46I98.3Very high98.1Very high2 Ų248.9 Ų48.91%0.0126%0.262CS..Hα-helixtrans-56-39.2-171.2-173.265.4000112.4D16 R49 D50 I76 P78 F86 L88D16-I46 PolarHBondContact OD1-N 3.1Å; I46-R49 PolarHBondContact O-N 3.18Å; I46-D50 WeakPolarHBondContact O-CB 3.38Å; I46-D50 PolarHBondContact O-N 3.42Å; I46-I76 HydrophobicContact CB-CB 4.44Å; I46-I76 HydrophobicContact CB-CD1 4.46Å; I46-I76 HydrophobicContact CD1-CG2 4.46Å; I46-I76 HydrophobicContact CG2-CD1 4.09Å; I46-P78 HydrophobicContact CD1-CB 4.28Å; I46-P78 HydrophobicContact CD1-CG 3.98Å; I46-F86 HydrophobicContact CG2-CD1 3.64Å; I46-F86 HydrophobicContact CG2-CD2 4.35Å; I46-F86 HydrophobicContact CG2-CE1 3.68Å; I46-F86 HydrophobicContact CG2-CE2 4.39Å; I46-F86 HydrophobicContact CG2-CG 3.99Å; I46-F86 HydrophobicContact CG2-CZ 4.08Å; I46-L88 HydrophobicContact CD1-CD1 3.82Å; I46-L88 HydrophobicContact CD1-CD2 4.3Å; I46-L88 HydrophobicContact CG1-CD1 3.89Å; I46-L88 HydrophobicContact CG1-CD2 3.76Å; I46-L88 HydrophobicContact CG1-CG 4.49Å
47E98Very high98.2Very high146 Ų14644 Ų4468%0.68224%0.239SC*.Hα-helixtrans-66.8-42.6178.8-62.1-179.8121.500112.1G45 D50 A51 F86G45-E47 PolarHBondContact O-N 3.39Å; E47-D50 PolarHBondContact O-N 3.34Å; E47-A51 WeakPolarHBondContact O-CB 3.45Å; E47-A51 PolarHBondContact O-N 3.43Å; E47-F86 HydrophobicContact CG-CD1 4.3Å
48N98.6Very high98.3Very high52 Ų5246.1 Ų46.128%0.27825%0.246SC..Hα-helixtrans-72.1-34.4178.1-170.652.3000112D43 G45 A51 T52D43-N48 HydrophobicContact CB-CB 4.28Å; D43-N48 PolarHBondContact O-ND2 2.95Å; G45-N48 PolarHBondContact O-N 2.98Å; G45-N48 VanDerWaalsContact O-N 3.1Å; N48-A51 PolarHBondContact O-N 2.73Å; N48-T52 WeakPolarHBondContact O-CB 3.18Å; N48-T52 WeakPolarHBondContact O-CG2 3.12Å; N48-T52 PolarHBondContact O-N 3.09Å; N48-T52 PolarHBondContact O-OG1 3.46Å
49R98.6Very high98.4Very high0 Ų045.7 Ų45.70%024%0.244CC..Hα-helixtrans-62-44.8170.2-72.4-169.1-63.1127.2-1.5111L44 G45 I46 T52 N53 D54 V56 T57 I76L44-R49 VanDerWaalsContact O-CD 3.32Å; L44-R49 WeakPolarHBondContact O-CD 3.46Å; L44-R49 PolarHBondContact O-NE 3.48Å; G45-R49 PolarHBondContact O-N 3.43Å; I46-R49 PolarHBondContact O-N 3.18Å; R49-T52 PolarHBondContact O-N 3.16Å; R49-T52 PolarHBondContact O-OG1 3.44Å; R49-N53 PolarHBondContact O-N 3.35Å; R49-N53 VanDerWaalsContact O-N 3.14Å; R49-D54 WeakPolarHBondContact CD-OD1 3.47Å; R49-D54 IonicContact NH1-OD1 3.94Å; R49-D54 WeakPolarHBondContact O-CA 3.14Å; R49-D54 PolarHBondContact O-N 2.92Å; R49-V56 HydrophobicContact CG-CG1 3.74Å; R49-T57 WeakPolarHBondContact CD-OG1 3.37Å; R49-I76 PolarHBondContact NH2-O 2.66Å
50D98.5Very high98.4Very high21 Ų2143.2 Ų43.211%0.11223%0.231CC..Hα-helixtrans-62-46.1175.6-168.880.9000112.2I46 E47 T52 N53 L88 K89 W92I46-D50 WeakPolarHBondContact O-CB 3.38Å; I46-D50 PolarHBondContact O-N 3.42Å; E47-D50 PolarHBondContact O-N 3.34Å; D50-T52 VanDerWaalsContact C-N 3.3Å; D50-T52 PolarHBondContact O-N 3.05Å; D50-N53 PolarHBondContact O-N 3Å; D50-N53 VanDerWaalsContact O-N 3.16Å; D50-L88 HydrophobicContact CB-CD2 3.93Å; D50-L88 WeakPolarHBondContact OD1-CA 3.36Å; D50-K89 PolarHBondContact O-NZ 2.92Å; D50-K89 PolarHBondContact OD1-N 3.05Å; D50-K89 WeakPolarHBondContact OD2-CG 3.5Å; D50-W92 PolarHBondContact OD1-NE1 2.9Å
51A98.6Very high98.4Very high64 Ų6441.5 Ų41.553%0.52922%0.223SC..Hα-helixtrans-57.1-41.7178.300000112.4E47 N48 K89E47-A51 WeakPolarHBondContact O-CB 3.45Å; E47-A51 PolarHBondContact O-N 3.43Å; N48-A51 PolarHBondContact O-N 2.73Å; A51-K89 PolarHBondContact O-NZ 2.86Å
52T98.5Very high98.5Very high48 Ų4842.8 Ų42.829%0.29422%0.222SC..THydrogen-bonded Turntrans-90.37.4-177.961.20000114.2N48 R49 D50 D54 Q55 V56N48-T52 WeakPolarHBondContact O-CB 3.18Å; N48-T52 WeakPolarHBondContact O-CG2 3.12Å; N48-T52 PolarHBondContact O-N 3.09Å; N48-T52 PolarHBondContact O-OG1 3.46Å; R49-T52 PolarHBondContact O-N 3.16Å; R49-T52 PolarHBondContact O-OG1 3.44Å; D50-T52 VanDerWaalsContact C-N 3.3Å; D50-T52 PolarHBondContact O-N 3.05Å; T52-D54 PolarHBondContact O-N 3.26Å; T52-Q55 WeakPolarHBondContact O-CB 3.35Å; T52-Q55 PolarHBondContact O-N 2.88Å; T52-Q55 VanDerWaalsContact O-N 3.07Å; T52-V56 HydrophobicContact CG2-CB 4.38Å; T52-V56 WeakPolarHBondContact OG1-CG1 3.47Å; T52-V56 PolarHBondContact OG1-N 3.1Å
53N98.2Very high98.4Very high95 Ų9540.3 Ų40.351%0.50821%0.213SC..THydrogen-bonded Turntrans52.640.1-172.9-52.1-51.2000112.9R49 D50 Q55 K89 W92R49-N53 PolarHBondContact O-N 3.35Å; R49-N53 VanDerWaalsContact O-N 3.14Å; D50-N53 PolarHBondContact O-N 3Å; D50-N53 VanDerWaalsContact O-N 3.16Å; N53-Q55 PolarHBondContact O-N 3.38Å; N53-K89 PolarHBondContact OD1-NZ 3.45Å; N53-W92 VanDerWaalsContact C-CZ3 3.49Å; N53-W92 HydrophobicContact CB-CH2 3.77Å; N53-W92 HydrophobicContact CB-CZ3 4.4Å; N53-W92 WeakPolarHBondContact O-CZ3 3.34Å
54D97.9Very high98.4Very high12 Ų1239 Ų396%0.06421%0.206CC..THydrogen-bonded Turntrans61.515.3-176.9-160.643.6000114.8R49 T52 V56 T57 W92R49-D54 WeakPolarHBondContact CD-OD1 3.47Å; R49-D54 IonicContact NH1-OD1 3.94Å; R49-D54 WeakPolarHBondContact O-CA 3.14Å; R49-D54 PolarHBondContact O-N 2.92Å; T52-D54 PolarHBondContact O-N 3.26Å; D54-V56 VanDerWaalsContact C-N 3.34Å; D54-V56 PolarHBondContact O-N 3.35Å; D54-T57 WeakPolarHBondContact O-CB 3.39Å; D54-T57 PolarHBondContact O-N 3.43Å; D54-T57 WeakPolarHBondContact OD1-CB 3.45Å; D54-T57 PolarHBondContact OD1-OG1 3.18Å; D54-W92 HydrophobicContact CB-CD2 4.12Å; D54-W92 HydrophobicContact CB-CE3 3.5Å; D54-W92 VanDerWaalsContact CB-CE3 3.5Å; D54-W92 HydrophobicContact CB-CZ3 3.83Å
55Q98.5Very high98.4Very high83 Ų8344.1 Ų44.139%0.38823%0.228SC..Hα-helixtrans-66-36.5177.6-172.456.344.100111.9T52 N53 T57 K58 D59T52-Q55 WeakPolarHBondContact O-CB 3.35Å; T52-Q55 PolarHBondContact O-N 2.88Å; T52-Q55 VanDerWaalsContact O-N 3.07Å; N53-Q55 PolarHBondContact O-N 3.38Å; Q55-T57 PolarHBondContact O-N 2.78Å; Q55-T57 VanDerWaalsContact O-N 3.13Å; Q55-K58 WeakPolarHBondContact O-CB 3.46Å; Q55-K58 PolarHBondContact O-N 2.64Å; Q55-D59 PolarHBondContact NE2-OD1 2.94Å; Q55-D59 VanDerWaalsContact O-CG 3.29Å; Q55-D59 PolarHBondContact O-N 3.26Å
56V98.7Very high98.4Very high12 Ų1250.8 Ų50.87%0.07326%0.256CS..Hα-helixtrans-56.4-32.7177.968.30000112.8Y42 L44 R49 T52 D54 D59 A60Y42-V56 HydrophobicContact CD1-CG2 4.23Å; L44-V56 HydrophobicContact CD2-CB 4.37Å; L44-V56 HydrophobicContact CD2-CG1 3.87Å; L44-V56 HydrophobicContact CD2-CG2 3.97Å; R49-V56 HydrophobicContact CG-CG1 3.74Å; T52-V56 HydrophobicContact CG2-CB 4.38Å; T52-V56 WeakPolarHBondContact OG1-CG1 3.47Å; T52-V56 PolarHBondContact OG1-N 3.1Å; D54-V56 VanDerWaalsContact C-N 3.34Å; D54-V56 PolarHBondContact O-N 3.35Å; V56-D59 PolarHBondContact O-N 3.37Å; V56-A60 WeakPolarHBondContact O-CB 3.19Å; V56-A60 PolarHBondContact O-N 3.07Å
57T98.6Very high98.4Very high0 Ų053.4 Ų53.40%027%0.267CS..Hα-helixtrans-66.5-40.2176.6-600000111.9R49 D54 Q55 A61 P95 T98 I99R49-T57 WeakPolarHBondContact CD-OG1 3.37Å; D54-T57 WeakPolarHBondContact O-CB 3.39Å; D54-T57 PolarHBondContact O-N 3.43Å; D54-T57 WeakPolarHBondContact OD1-CB 3.45Å; D54-T57 PolarHBondContact OD1-OG1 3.18Å; Q55-T57 PolarHBondContact O-N 2.78Å; Q55-T57 VanDerWaalsContact O-N 3.13Å; T57-A61 PolarHBondContact O-N 3.47Å; T57-P95 HydrophobicContact CG2-CB 3.87Å; T57-T98 HydrophobicContact CG2-CG2 3.73Å; T57-I99 HydrophobicContact CG2-CG1 4.27Å
58K98.3Very high98.3Very high96 Ų9653 Ų5342%0.41727%0.269SS..Hα-helixtrans-72.2-41.8177.2-63.3176.2-174.1165.70110.9Q55 A60 A61 E62 T98 I102Q55-K58 WeakPolarHBondContact O-CB 3.46Å; Q55-K58 PolarHBondContact O-N 2.64Å; K58-A60 VanDerWaalsContact C-N 3.31Å; K58-A60 PolarHBondContact O-N 3.4Å; K58-A61 WeakPolarHBondContact O-CB 3.5Å; K58-A61 PolarHBondContact O-N 3.18Å; K58-A61 VanDerWaalsContact O-N 3.1Å; K58-E62 PolarHBondContact O-N 2.88Å; K58-T98 HydrophobicContact CG-CG2 4.11Å; K58-I102 HydrophobicContact CB-CD1 4.31Å; K58-I102 HydrophobicContact CG-CD1 4.23Å
59D98.6Very high98.3Very high71 Ų7154.1 Ų54.138%0.3828%0.278SS..Hα-helixtrans-62-41.3179-61.3-17.7000110.9Y42 Q55 V56 A61 E62 A63Y42-D59 HydrophobicContact CD1-CB 4.24Å; Y42-D59 HydrophobicContact CE1-CB 3.85Å; Q55-D59 PolarHBondContact NE2-OD1 2.94Å; Q55-D59 VanDerWaalsContact O-CG 3.29Å; Q55-D59 PolarHBondContact O-N 3.26Å; V56-D59 PolarHBondContact O-N 3.37Å; D59-A61 VanDerWaalsContact C-N 3.35Å; D59-A61 PolarHBondContact O-N 3.2Å; D59-E62 PolarHBondContact O-N 2.89Å; D59-A63 WeakPolarHBondContact O-CB 3.47Å; D59-A63 PolarHBondContact O-N 2.88Å
60A98.7Very high98.3Very high0 Ų055.8 Ų55.80%030%0.295CS..Hα-helixtrans-60.8-42.2173.100000112.1M13 Y42 L44 V56 K58 A63 I64M13-A60 HydrophobicContact CG-CB 3.84Å; M13-A60 HydrophobicContact SD-CB 4.14Å; Y42-A60 HydrophobicContact CD1-CB 4.01Å; Y42-A60 HydrophobicContact CD2-CB 4.11Å; Y42-A60 HydrophobicContact CG-CB 3.69Å; L44-A60 HydrophobicContact CD2-CB 4.22Å; V56-A60 WeakPolarHBondContact O-CB 3.19Å; V56-A60 PolarHBondContact O-N 3.07Å; K58-A60 VanDerWaalsContact C-N 3.31Å; K58-A60 PolarHBondContact O-N 3.4Å; A60-A63 WeakPolarHBondContact O-CB 3.38Å; A60-A63 PolarHBondContact O-N 3.32Å; A60-I64 VanDerWaalsContact O-CG1 3.3Å; A60-I64 WeakPolarHBondContact O-CG1 3.27Å; A60-I64 PolarHBondContact O-N 2.71Å
61A98.3Very high98.3Very high0 Ų057.3 Ų57.30%031%0.305CS..Hα-helixtrans-65.4-41.8178.100000112.5T57 K58 D59 A63 I64 K65 I99 I102T57-A61 PolarHBondContact O-N 3.47Å; K58-A61 WeakPolarHBondContact O-CB 3.5Å; K58-A61 PolarHBondContact O-N 3.18Å; K58-A61 VanDerWaalsContact O-N 3.1Å; D59-A61 VanDerWaalsContact C-N 3.35Å; D59-A61 PolarHBondContact O-N 3.2Å; A61-A63 VanDerWaalsContact C-N 3.35Å; A61-I64 PolarHBondContact O-N 3.47Å; A61-K65 PolarHBondContact O-N 2.96Å; A61-K65 VanDerWaalsContact O-N 3.16Å; A61-I99 HydrophobicContact CB-CB 4.43Å; A61-I99 HydrophobicContact CB-CG1 4.13Å; A61-I99 HydrophobicContact CB-CG2 4.43Å; A61-I102 HydrophobicContact CB-CB 3.91Å; A61-I102 HydrophobicContact CB-CD1 3.65Å; A61-I102 HydrophobicContact CB-CG1 4.38Å; A61-I102 HydrophobicContact CB-CG2 3.77Å
62E98.4Very high98.3Very high92 Ų9257.1 Ų57.143%0.4329%0.292SS..Hα-helixtrans-68.4-34.3175.2-69.9-58.6151.100112K58 D59 I64 K65 K66 I102K58-E62 PolarHBondContact O-N 2.88Å; D59-E62 PolarHBondContact O-N 2.89Å; E62-I64 VanDerWaalsContact C-N 3.32Å; E62-I64 PolarHBondContact O-N 3.26Å; E62-K65 WeakPolarHBondContact O-CB 3.3Å; E62-K65 PolarHBondContact O-N 2.97Å; E62-K65 IonicContact OE1-NZ 2.81Å; E62-K65 PolarHBondContact OE1-NZ 3.36Å; E62-K65 VanDerWaalsContact OE1-NZ 3.14Å; E62-K65 WeakPolarHBondContact OE2-CD 3.43Å; E62-K65 IonicContact OE2-NZ 3.92Å; E62-K65 PolarHBondContact OE2-NZ 2.62Å; E62-K66 PolarHBondContact O-N 3.48Å; E62-I102 WeakPolarHBondContact OE1-CG2 3.41Å
63A98.6Very high98.2Very high6 Ų655.2 Ų55.25%0.0528%0.28CS..Hα-helixtrans-62-39.8171.300000111.8V11 Y42 D59 A60 A61 K65 K66 Y67V11-A63 HydrophobicContact CG1-CB 4.16Å; V11-A63 HydrophobicContact CG2-CB 3.81Å; Y42-A63 HydrophobicContact CE2-CB 3.54Å; Y42-A63 VanDerWaalsContact OH-CB 3.25Å; Y42-A63 WeakPolarHBondContact OH-CB 3.33Å; D59-A63 WeakPolarHBondContact O-CB 3.47Å; D59-A63 PolarHBondContact O-N 2.88Å; A60-A63 WeakPolarHBondContact O-CB 3.38Å; A60-A63 PolarHBondContact O-N 3.32Å; A61-A63 VanDerWaalsContact C-N 3.35Å; A63-K65 VanDerWaalsContact C-N 3.3Å; A63-K65 PolarHBondContact O-N 3.13Å; A63-K66 WeakPolarHBondContact O-CB 3.28Å; A63-K66 PolarHBondContact O-N 3Å; A63-K66 VanDerWaalsContact O-N 3.09Å; A63-Y67 HydrophobicContact CB-CD2 4.32Å; A63-Y67 WeakPolarHBondContact O-CD2 3.47Å; A63-Y67 PolarHBondContact O-N 3.49Å
64I98.6Very high98.2Very high15 Ų1553.3 Ų53.38%0.07728%0.278CS..Hα-helixtrans-62.7-39.4175-64.7162.2000110.4V11 M13 A60 A61 E62 K66 Y67 N68 I99 L103V11-I64 HydrophobicContact CB-CG1 3.91Å; V11-I64 HydrophobicContact CG1-CG1 3.96Å; V11-I64 HydrophobicContact CG2-CG1 4.16Å; M13-I64 HydrophobicContact CE-CD1 3.45Å; M13-I64 VanDerWaalsContact CE-CD1 3.45Å; M13-I64 HydrophobicContact CE-CG1 4.23Å; M13-I64 HydrophobicContact SD-CD1 3.89Å; A60-I64 VanDerWaalsContact O-CG1 3.3Å; A60-I64 WeakPolarHBondContact O-CG1 3.27Å; A60-I64 PolarHBondContact O-N 2.71Å; A61-I64 PolarHBondContact O-N 3.47Å; E62-I64 VanDerWaalsContact C-N 3.32Å; E62-I64 PolarHBondContact O-N 3.26Å; I64-K66 PolarHBondContact O-N 2.97Å; I64-Y67 PolarHBondContact O-N 3.49Å; I64-N68 WeakPolarHBondContact O-CA 3.1Å; I64-N68 PolarHBondContact O-N 3.07Å; I64-I99 HydrophobicContact CD1-CG2 4.18Å; I64-L103 HydrophobicContact CB-CD1 4.31Å; I64-L103 HydrophobicContact CB-CD2 4.11Å; I64-L103 HydrophobicContact CD1-CD1 4.09Å; I64-L103 HydrophobicContact CG2-CD1 3.76Å; I64-L103 HydrophobicContact CG2-CD2 3.94Å
65K97.5Very high98.2Very high108 Ų10853.7 Ų53.747%0.4728%0.281SS..Hα-helixtrans-62.4-34174.5-70.8169.361.2-157.70112.4A61 E62 A63 I102 L103A61-K65 PolarHBondContact O-N 2.96Å; A61-K65 VanDerWaalsContact O-N 3.16Å; E62-K65 WeakPolarHBondContact O-CB 3.3Å; E62-K65 PolarHBondContact O-N 2.97Å; E62-K65 IonicContact OE1-NZ 2.81Å; E62-K65 PolarHBondContact OE1-NZ 3.36Å; E62-K65 VanDerWaalsContact OE1-NZ 3.14Å; E62-K65 WeakPolarHBondContact OE2-CD 3.43Å; E62-K65 IonicContact OE2-NZ 3.92Å; E62-K65 PolarHBondContact OE2-NZ 2.62Å; A63-K65 VanDerWaalsContact C-N 3.3Å; A63-K65 PolarHBondContact O-N 3.13Å; K65-I102 HydrophobicContact CD-CG2 3.87Å; K65-L103 HydrophobicContact CD-CD2 4.14Å; K65-L103 HydrophobicContact CG-CD2 3.48Å; K65-L103 VanDerWaalsContact CG-CD2 3.48Å
66K98.2Very high98.2Very high143 Ų14350.2 Ų50.262%0.62227%0.265SS*.Hα-helixtrans-74.3-43.9177.9-174.7-179.7176.1-165.70112.8E62 A63 I64E62-K66 PolarHBondContact O-N 3.48Å; A63-K66 WeakPolarHBondContact O-CB 3.28Å; A63-K66 PolarHBondContact O-N 3Å; A63-K66 VanDerWaalsContact O-N 3.09Å; I64-K66 PolarHBondContact O-N 2.97Å
67Y98.1Very high98.1Very high57 Ų5753.1 Ų53.122%0.22428%0.282CS..Hα-helixtrans-1071.1-170.8-57.2-66.3000114.3V11 H40 A63 I64 V69V11-Y67 HydrophobicContact CG2-CD2 3.87Å; V11-Y67 HydrophobicContact CG2-CG 4.46Å; H40-Y67 HydrophobicContact CB-CE2 4.36Å; H40-Y67 AromaticContact CD2-CD1 3.93Å; H40-Y67 AromaticContact CD2-CD2 3.32Å; H40-Y67 WeakPolarHBondContact CD2-CD2 3.42Å; H40-Y67 AromaticContact CD2-CE1 3.92Å; H40-Y67 AromaticContact CD2-CE2 3.27Å; H40-Y67 WeakPolarHBondContact CD2-CE2 3.45Å; H40-Y67 AromaticContact CD2-CG 3.64Å; H40-Y67 AromaticContact CD2-CZ 3.58Å; H40-Y67 AromaticContact CE1-CE1 3.94Å; H40-Y67 AromaticContact CE1-CE2 3.89Å; H40-Y67 AromaticContact CE1-CZ 3.51Å; H40-Y67 PolarHBondContact CE1-OH 2.81Å; H40-Y67 AromaticContact CG-CD2 3.97Å; H40-Y67 AromaticContact CG-CE2 3.61Å; H40-Y67 AromaticContact ND1-CE2 3.96Å; H40-Y67 AromaticContact ND1-CZ 3.99Å; H40-Y67 AromaticContact NE2-CD1 3.59Å; H40-Y67 AromaticContact NE2-CD2 3.76Å; H40-Y67 AromaticContact NE2-CE1 3.27Å; H40-Y67 VanDerWaalsContact NE2-CE1 3.27Å; H40-Y67 WeakPolarHBondContact NE2-CE1 3.35Å; H40-Y67 AromaticContact NE2-CE2 3.44Å; H40-Y67 WeakPolarHBondContact NE2-CE2 3.27Å; H40-Y67 AromaticContact NE2-CG 3.82Å; H40-Y67 AromaticContact NE2-CZ 3.16Å; A63-Y67 HydrophobicContact CB-CD2 4.32Å; A63-Y67 WeakPolarHBondContact O-CD2 3.47Å; A63-Y67 PolarHBondContact O-N 3.49Å; I64-Y67 PolarHBondContact O-N 3.49Å; Y67-V69 PolarHBondContact O-N 3.2Å
68N96.9Very high97.9Very high138 Ų13853.4 Ų53.474%0.73829%0.285SS*.SBendtrans66.7-31.2176.8-54.6-66.6000116.9I64I64-N68 WeakPolarHBondContact O-CA 3.1Å; I64-N68 PolarHBondContact O-N 3.07Å
69V98.1Very high97.7Very high76 Ų7652.2 Ų52.246%0.46128%0.283SS..  trans-115.3125.6-173.4-176.40000110.8V10 V11 Y67V10-V69 HydrophobicContact CG1-CG1 4.37Å; V10-V69 HydrophobicContact CG2-CG1 4.3Å; V11-V69 PolarHBondContact N-O 3.3Å; Y67-V69 PolarHBondContact O-N 3.2Å
70G98.1Very high97.5Very high34 Ų3455.1 Ų55.135%0.35129%0.294SS..EExtended strand (participates in β ladder)trans-125.6136.7173.800000112.1V11V11-G70 CarbonylContact O-C 3.59Å; V11-G70 WeakPolarHBondContact O-CA 3.27Å
71V98.1Very high97.4Very high54 Ų5462.8 Ų62.833%0.32733%0.327SS..EExtended strand (participates in β ladder)trans-118.3129170.7-63.10000109.1V10 V11 M13 W23V10-V71 HydrophobicContact CG1-CG1 4.13Å; V10-V71 HydrophobicContact CG1-CG2 3.83Å; V11-V71 PolarHBondContact O-N 3.45Å; M13-V71 PolarHBondContact N-O 2.8Å; W23-V71 HydrophobicContact CH2-CB 3.9Å; W23-V71 HydrophobicContact CH2-CG2 3.73Å; W23-V71 HydrophobicContact CZ2-CB 4.37Å; W23-V71 HydrophobicContact CZ2-CG2 3.73Å
72K98.6Very high97.3Very high60 Ų6065.7 Ų65.726%0.26134%0.338SS..EExtended strand (participates in β ladder)trans-127.2127.1-169.4179.8170-175.3-57.70112.3M13 T75 N96 I99M13-K72 HydrophobicContact CB-CB 4.08Å; M13-K72 HydrophobicContact CB-CG 3.96Å; M13-K72 HydrophobicContact CE-CB 3.74Å; M13-K72 HydrophobicContact CE-CG 4.49Å; M13-K72 HydrophobicContact SD-CB 4.15Å; M13-K72 HydrophobicContact SD-CD 4.06Å; M13-K72 HydrophobicContact SD-CG 4.25Å; K72-T75 PolarHBondContact NZ-OG1 2.85Å; K72-N96 WeakPolarHBondContact CE-OD1 3.42Å; K72-N96 PolarHBondContact NZ-OD1 2.8Å; K72-N96 VanDerWaalsContact NZ-OD1 3.07Å; K72-I99 HydrophobicContact CD-CD1 3.85Å
73C98.2Very high97.2Very high7 Ų763 Ų635%0.04733%0.328CS..  trans-75.3155166.4-171.60000111.4M13 T19 W23M13-C73 WeakPolarHBondContact O-CB 3.44Å; M13-C73 PolarHBondContact O-N 2.88Å; T19-C73 VanDerWaalsContact CB-SG 3.58Å; T19-C73 PolarHBondContact O-SG 2.89Å; T19-C73 VanDerWaalsContact O-SG 3.35Å; W23-C73 HydrophobicContact CB-CB 4.43Å; W23-C73 HydrophobicContact CD2-CB 4.21Å; W23-C73 HydrophobicContact CG-CB 4.15Å
74A98Very high97.1Very high56 Ų5670.1 Ų70.146%0.46336%0.36SS..  trans-66.3144.2177.300000110.7G15 D16 T19G15-A74 CarbonylContact C-O 3.52Å; G15-A74 WeakPolarHBondContact CA-O 3.37Å; D16-A74 PolarHBondContact N-O 2.89Å; T19-A74 HydrophobicContact CG2-CB 3.94Å; T19-A74 PolarHBondContact OG1-O 2.85Å
75T98.3Very high97Very high19 Ų1974.7 Ų74.712%0.11738%0.381CS..  trans-132.9145.3-173.451.10000110D16 L44 K72D16-T75 WeakPolarHBondContact OD2-CA 3.27Å; L44-T75 HydrophobicContact CB-CG2 3.86Å; K72-T75 PolarHBondContact NZ-OG1 2.85Å
76I97.7Very high97Very high11 Ų1172.4 Ų72.46%0.05637%0.371CS..  trans-62.4137.5172.9-69.4166.1000109.4D16 E17 I46 R49 R82 F86D16-I76 HydrophobicContact CB-CB 4.49Å; D16-I76 HydrophobicContact CB-CD1 3.8Å; D16-I76 HydrophobicContact CB-CG1 3.74Å; D16-I76 PolarHBondContact OD2-N 2.78Å; E17-I76 HydrophobicContact CG-CD1 4Å; E17-I76 HydrophobicContact CG-CG1 4.42Å; I46-I76 HydrophobicContact CB-CB 4.44Å; I46-I76 HydrophobicContact CB-CD1 4.46Å; I46-I76 HydrophobicContact CD1-CG2 4.46Å; I46-I76 HydrophobicContact CG2-CD1 4.09Å; R49-I76 PolarHBondContact NH2-O 2.66Å; I76-R82 HydrophobicContact CG2-CB 4.48Å; I76-R82 HydrophobicContact CG2-CG 4.14Å; I76-F86 HydrophobicContact CD1-CE2 3.9Å; I76-F86 HydrophobicContact CD1-CZ 3.84Å
77T96.4Very high96.9Very high72 Ų7274.3 Ų74.344%0.44238%0.38SS..  trans-108.3109.2159.4-59.30000105.2S94T77-S94 WeakPolarHBondContact OG1-CB 3.47Å; T77-S94 PolarHBondContact OG1-OG 3.32Å
78P95.3Very high96.9Very high7 Ų772.3 Ų72.35%0.04537%0.373CS..  trans-69.7138.1-168.929-35.7000111.2I46 R82 L88 M91 W92I46-P78 HydrophobicContact CD1-CB 4.28Å; I46-P78 HydrophobicContact CD1-CG 3.98Å; P78-R82 HydrophobicContact CB-CB 3.76Å; P78-L88 HydrophobicContact CB-CD1 3.52Å; P78-L88 HydrophobicContact CG-CD1 3.95Å; P78-M91 HydrophobicContact CG-CG 4.46Å; P78-M91 WeakPolarHBondContact O-CG 3.45Å; P78-W92 WeakPolarHBondContact CD-O 3.38Å; P78-W92 HydrophobicContact CG-CB 4.11Å; P78-W92 WeakPolarHBondContact CG-O 3.22Å
79D93Very high96.9Very high70 Ų7071.5 Ų71.537%0.37436%0.363SS..  trans-102.6-173.4161.362.412.6000109.2K81 R82 V83D79-K81 PolarHBondContact O-N 2.9Å; D79-K81 WeakPolarHBondContact OD1-CB 3.32Å; D79-K81 PolarHBondContact OD1-N 3.27Å; D79-K81 VanDerWaalsContact OD1-N 3.11Å; D79-R82 PolarHBondContact O-N 2.87Å; D79-R82 VanDerWaalsContact O-N 3.16Å; D79-R82 WeakPolarHBondContact OD1-CG 3.48Å; D79-R82 PolarHBondContact OD1-N 2.92Å; D79-V83 WeakPolarHBondContact O-CG2 3.48Å; D79-V83 PolarHBondContact O-N 3.11Å
80E94.5Very high96.8Very high132 Ų13273 Ų7362%0.61737%0.365SS*.Hα-helixtrans-56.7-39.3179.9-64.580.9-178.800112.1V83 E84 M91E80-V83 WeakPolarHBondContact O-CB 3.34Å; E80-V83 PolarHBondContact O-N 3.23Å; E80-E84 PolarHBondContact O-N 2.89Å; E80-E84 VanDerWaalsContact O-N 3.11Å; E80-M91 HydrophobicContact CG-CE 3.85Å; E80-M91 WeakPolarHBondContact OE1-CE 3.36Å
81K96.5Very high96.6Very high161 Ų16175.7 Ų75.770%0.737%0.369SS*.Hα-helixtrans-67.5-40.8179.2-65.5-176.8179.9178.90111.5D79 V83 E84 E85D79-K81 PolarHBondContact O-N 2.9Å; D79-K81 WeakPolarHBondContact OD1-CB 3.32Å; D79-K81 PolarHBondContact OD1-N 3.27Å; D79-K81 VanDerWaalsContact OD1-N 3.11Å; K81-V83 VanDerWaalsContact C-N 3.32Å; K81-E84 PolarHBondContact O-N 2.95Å; K81-E85 WeakPolarHBondContact O-CB 3.25Å; K81-E85 PolarHBondContact O-N 3.16Å
82R95.8Very high96.5Very high62 Ų6274.1 Ų74.123%0.23436%0.357CS..Hα-helixtrans-68.4-31.9175.9-63.9-51.2-167.4153.510.4111.9E17 I76 P78 D79 E84 E85 F86E17-R82 IonicContact OE1-CZ 3.47Å; E17-R82 IonicContact OE1-NH1 3.14Å; E17-R82 PolarHBondContact OE1-NH1 2.94Å; E17-R82 IonicContact OE1-NH2 3.97Å; E17-R82 PolarHBondContact OE1-NH2 2.79Å; E17-R82 IonicContact OE2-NH2 3.58Å; I76-R82 HydrophobicContact CG2-CB 4.48Å; I76-R82 HydrophobicContact CG2-CG 4.14Å; P78-R82 HydrophobicContact CB-CB 3.76Å; D79-R82 PolarHBondContact O-N 2.87Å; D79-R82 VanDerWaalsContact O-N 3.16Å; D79-R82 WeakPolarHBondContact OD1-CG 3.48Å; D79-R82 PolarHBondContact OD1-N 2.92Å; R82-E84 VanDerWaalsContact C-N 3.35Å; R82-E85 WeakPolarHBondContact CD-OE2 3.36Å; R82-E85 IonicContact CZ-OE2 2.75Å; R82-E85 IonicContact NE-OE2 3.28Å; R82-E85 VanDerWaalsContact NH1-CD 3.31Å; R82-E85 IonicContact NH1-OE1 2.72Å; R82-E85 PolarHBondContact NH1-OE1 2.91Å; R82-E85 VanDerWaalsContact NH1-OE1 3.14Å; R82-E85 IonicContact NH1-OE2 3.43Å; R82-E85 PolarHBondContact NH1-OE2 3.35Å; R82-F86 HydrophobicContact CB-CD2 4.47Å; R82-F86 WeakPolarHBondContact O-CD2 3.49Å; R82-F86 PolarHBondContact O-N 3.47Å
83V96Very high96.2Very high35 Ų3579.1 Ų79.121%0.21238%0.379CS..Hα-helixtrans-61.2-44.9171.9171.60000110.7D79 E80 K81 K87 L88 M91D79-V83 WeakPolarHBondContact O-CG2 3.48Å; D79-V83 PolarHBondContact O-N 3.11Å; E80-V83 WeakPolarHBondContact O-CB 3.34Å; E80-V83 PolarHBondContact O-N 3.23Å; K81-V83 VanDerWaalsContact C-N 3.32Å; V83-K87 CarbonylContact O-C 3.57Å; V83-K87 WeakPolarHBondContact O-CA 3.19Å; V83-K87 PolarHBondContact O-N 3.14Å; V83-L88 HydrophobicContact CB-CB 4.46Å; V83-L88 HydrophobicContact CG1-CB 4.31Å; V83-L88 HydrophobicContact CG2-CB 4.33Å; V83-L88 HydrophobicContact CG2-CD1 4.19Å; V83-L88 PolarHBondContact O-N 3.4Å; V83-M91 HydrophobicContact CG2-CB 4.08Å; V83-M91 HydrophobicContact CG2-CG 4.46Å
84E96.8Very high96.1Very high155 Ų15580.5 Ų80.572%0.72439%0.389SS*.Hα-helixtrans-67-47.4176.1-69.1179.7177.200112.5E80 K81 R82 F86 K87E80-E84 PolarHBondContact O-N 2.89Å; E80-E84 VanDerWaalsContact O-N 3.11Å; K81-E84 PolarHBondContact O-N 2.95Å; R82-E84 VanDerWaalsContact C-N 3.35Å; E84-F86 PolarHBondContact O-N 2.78Å; E84-K87 PolarHBondContact O-N 3.38Å
85E96.8Very high96Very high112 Ų11277.8 Ų77.852%0.52337%0.367SS..Hα-helixtrans-57.6-47.9-178.3-178.5-175.9178.600112.1K81 R82K81-E85 WeakPolarHBondContact O-CB 3.25Å; K81-E85 PolarHBondContact O-N 3.16Å; R82-E85 WeakPolarHBondContact CD-OE2 3.36Å; R82-E85 IonicContact CZ-OE2 2.75Å; R82-E85 IonicContact NE-OE2 3.28Å; R82-E85 VanDerWaalsContact NH1-CD 3.31Å; R82-E85 IonicContact NH1-OE1 2.72Å; R82-E85 PolarHBondContact NH1-OE1 2.91Å; R82-E85 VanDerWaalsContact NH1-OE1 3.14Å; R82-E85 IonicContact NH1-OE2 3.43Å; R82-E85 PolarHBondContact NH1-OE2 3.35Å
86F96.7Very high95.8Very high59 Ų5979 Ų7926%0.25937%0.372SS..Hα-helixtrans-97.91.9-176-68.4-86.3000113.5I46 E47 I76 R82 E84 L88I46-F86 HydrophobicContact CG2-CD1 3.64Å; I46-F86 HydrophobicContact CG2-CD2 4.35Å; I46-F86 HydrophobicContact CG2-CE1 3.68Å; I46-F86 HydrophobicContact CG2-CE2 4.39Å; I46-F86 HydrophobicContact CG2-CG 3.99Å; I46-F86 HydrophobicContact CG2-CZ 4.08Å; E47-F86 HydrophobicContact CG-CD1 4.3Å; I76-F86 HydrophobicContact CD1-CE2 3.9Å; I76-F86 HydrophobicContact CD1-CZ 3.84Å; R82-F86 HydrophobicContact CB-CD2 4.47Å; R82-F86 WeakPolarHBondContact O-CD2 3.49Å; R82-F86 PolarHBondContact O-N 3.47Å; E84-F86 PolarHBondContact O-N 2.78Å; F86-L88 VanDerWaalsContact C-N 3.29Å; F86-L88 HydrophobicContact CB-CD1 4.44Å; F86-L88 HydrophobicContact CB-CD2 3.5Å; F86-L88 VanDerWaalsContact CB-CD2 3.5Å; F86-L88 HydrophobicContact CB-CG 3.8Å; F86-L88 PolarHBondContact O-N 2.75Å
87K97.7Very high95.5Very high184 Ų18479 Ų7980%0.838%0.375SS*.THydrogen-bonded Turntrans52.146.4-177.1-55.1-179.3-177.7-178.50112.7V83 E84V83-K87 CarbonylContact O-C 3.57Å; V83-K87 WeakPolarHBondContact O-CA 3.19Å; V83-K87 PolarHBondContact O-N 3.14Å; E84-K87 PolarHBondContact O-N 3.38Å
88L97.4Very high95.3Very high14 Ų1476.7 Ų76.77%0.07336%0.361CS..  trans-69.9147.8-175-53.4178.6000111.2I46 D50 P78 V83 F86 Q90I46-L88 HydrophobicContact CD1-CD1 3.82Å; I46-L88 HydrophobicContact CD1-CD2 4.3Å; I46-L88 HydrophobicContact CG1-CD1 3.89Å; I46-L88 HydrophobicContact CG1-CD2 3.76Å; I46-L88 HydrophobicContact CG1-CG 4.49Å; D50-L88 HydrophobicContact CB-CD2 3.93Å; D50-L88 WeakPolarHBondContact OD1-CA 3.36Å; P78-L88 HydrophobicContact CB-CD1 3.52Å; P78-L88 HydrophobicContact CG-CD1 3.95Å; V83-L88 HydrophobicContact CB-CB 4.46Å; V83-L88 HydrophobicContact CG1-CB 4.31Å; V83-L88 HydrophobicContact CG2-CB 4.33Å; V83-L88 HydrophobicContact CG2-CD1 4.19Å; V83-L88 PolarHBondContact O-N 3.4Å; F86-L88 VanDerWaalsContact C-N 3.29Å; F86-L88 HydrophobicContact CB-CD1 4.44Å; F86-L88 HydrophobicContact CB-CD2 3.5Å; F86-L88 VanDerWaalsContact CB-CD2 3.5Å; F86-L88 HydrophobicContact CB-CG 3.8Å; F86-L88 PolarHBondContact O-N 2.75Å; L88-Q90 PolarHBondContact O-N 2.75Å
89K97.6Very high95.4Very high121 Ų12177 Ų7753%0.52636%0.362SS..SBendtrans-60.5-36.3174.2-67.3165.2-175.11680112.1D50 A51 N53 W92D50-K89 PolarHBondContact O-NZ 2.92Å; D50-K89 PolarHBondContact OD1-N 3.05Å; D50-K89 WeakPolarHBondContact OD2-CG 3.5Å; A51-K89 PolarHBondContact O-NZ 2.86Å; N53-K89 PolarHBondContact OD1-NZ 3.45Å; K89-W92 HydrophobicContact CB-CZ2 4.19Å; K89-W92 HydrophobicContact CD-CZ2 4.25Å
90Q95.1Very high95.3Very high108 Ų10876.3 Ų76.351%0.50535%0.354SS..SBendtrans-162.1171.817761.8-176.9-11.900111.2L88 W92L88-Q90 PolarHBondContact O-N 2.75Å; Q90-W92 HydrophobicContact CG-CD2 4.01Å; Q90-W92 HydrophobicContact CG-CE3 4.1Å; Q90-W92 HydrophobicContact CG-CH2 3.99Å; Q90-W92 HydrophobicContact CG-CZ2 3.89Å; Q90-W92 HydrophobicContact CG-CZ3 4.13Å; Q90-W92 PolarHBondContact O-N 2.8Å
91M95Very high95Very high91 Ų9172.1 Ų72.145%0.44834%0.336SS..  trans-73.391.1172.4-165.5-173.2-63.200110.4P78 E80 V83P78-M91 HydrophobicContact CG-CG 4.46Å; P78-M91 WeakPolarHBondContact O-CG 3.45Å; E80-M91 HydrophobicContact CG-CE 3.85Å; E80-M91 WeakPolarHBondContact OE1-CE 3.36Å; V83-M91 HydrophobicContact CG2-CB 4.08Å; V83-M91 HydrophobicContact CG2-CG 4.46Å
92W95.7Very high94.8Very high21 Ų2166.9 Ų66.98%0.0832%0.315CS..PPolyproline II helixtrans-63.5143.9179.2-61.2108000112.5D50 N53 D54 P78 K89 Q90D50-W92 PolarHBondContact OD1-NE1 2.9Å; N53-W92 VanDerWaalsContact C-CZ3 3.49Å; N53-W92 HydrophobicContact CB-CH2 3.77Å; N53-W92 HydrophobicContact CB-CZ3 4.4Å; N53-W92 WeakPolarHBondContact O-CZ3 3.34Å; D54-W92 HydrophobicContact CB-CD2 4.12Å; D54-W92 HydrophobicContact CB-CE3 3.5Å; D54-W92 VanDerWaalsContact CB-CE3 3.5Å; D54-W92 HydrophobicContact CB-CZ3 3.83Å; P78-W92 WeakPolarHBondContact CD-O 3.38Å; P78-W92 HydrophobicContact CG-CB 4.11Å; P78-W92 WeakPolarHBondContact CG-O 3.22Å; K89-W92 HydrophobicContact CB-CZ2 4.19Å; K89-W92 HydrophobicContact CD-CZ2 4.25Å; Q90-W92 HydrophobicContact CG-CD2 4.01Å; Q90-W92 HydrophobicContact CG-CE3 4.1Å; Q90-W92 HydrophobicContact CG-CH2 3.99Å; Q90-W92 HydrophobicContact CG-CZ2 3.89Å; Q90-W92 HydrophobicContact CG-CZ3 4.13Å; Q90-W92 PolarHBondContact O-N 2.8Å
93K92.3Very high94.6Very high165 Ų16567.3 Ų67.372%0.71732%0.321SS*.PPolyproline II helixtrans-65.2159.6175.7-66.8-173.8178-1750111.3P95K93-P95 WeakPolarHBondContact O-CD 3.48Å
94S94.7Very high94.2Very high35 Ų3567.4 Ų67.425%0.24533%0.33CS..PPolyproline II helixtrans-62.7125.9177.8-168.50000111.3T77 N96 G97 T98T77-S94 WeakPolarHBondContact OG1-CB 3.47Å; T77-S94 PolarHBondContact OG1-OG 3.32Å; S94-N96 PolarHBondContact O-N 3.35Å; S94-N96 PolarHBondContact OG-ND2 3.16Å; S94-G97 PolarHBondContact O-N 2.99Å; S94-T98 PolarHBondContact O-N 3.49Å; S94-T98 PolarHBondContact O-OG1 2.87Å
95P96.8Very high93.8Very high0 Ų062.3 Ų62.30%032%0.319CS..Hα-helixtrans-57.6-36.1175.8-27.936.6000112.6L44 T57 K93 G97 T98 I99L44-P95 HydrophobicContact CD1-CB 4.42Å; T57-P95 HydrophobicContact CG2-CB 3.87Å; K93-P95 WeakPolarHBondContact O-CD 3.48Å; P95-G97 VanDerWaalsContact C-N 3.31Å; P95-G97 PolarHBondContact O-N 3.3Å; P95-T98 PolarHBondContact O-N 3.43Å; P95-I99 WeakPolarHBondContact O-CB 3.49Å; P95-I99 WeakPolarHBondContact O-CD1 3.32Å; P95-I99 VanDerWaalsContact O-CG1 3.28Å; P95-I99 WeakPolarHBondContact O-CG1 3.31Å; P95-I99 PolarHBondContact O-N 2.78Å
96N94.8Very high93.6Very high44 Ų4460.6 Ų60.624%0.23532%0.316CS..Hα-helixtrans-62.6-40.1177.5-53.1-69.4000111.4K72 S94 R100K72-N96 WeakPolarHBondContact CE-OD1 3.42Å; K72-N96 PolarHBondContact NZ-OD1 2.8Å; K72-N96 VanDerWaalsContact NZ-OD1 3.07Å; S94-N96 PolarHBondContact O-N 3.35Å; S94-N96 PolarHBondContact OG-ND2 3.16Å; N96-R100 WeakPolarHBondContact O-CB 3.21Å; N96-R100 WeakPolarHBondContact O-CD 3.41Å; N96-R100 WeakPolarHBondContact O-CG 3.36Å; N96-R100 PolarHBondContact O-N 3.12Å; N96-R100 VanDerWaalsContact O-N 3.1Å
97G90.3Very high93.5Very high11 Ų1159.5 Ų59.511%0.11331%0.314CS..Hα-helixtrans-65.8-48.2176.100000111.2S94 P95 I99 R100 N101S94-G97 PolarHBondContact O-N 2.99Å; P95-G97 VanDerWaalsContact C-N 3.31Å; P95-G97 PolarHBondContact O-N 3.3Å; G97-I99 PolarHBondContact O-N 3.12Å; G97-R100 PolarHBondContact O-N 3.48Å; G97-N101 WeakPolarHBondContact O-CB 3.48Å; G97-N101 PolarHBondContact O-N 2.82Å; G97-N101 PolarHBondContact O-ND2 3.35Å; G97-N101 VanDerWaalsContact O-ND2 3.11Å
98T93.4Very high93.5Very high23 Ų2357.7 Ų57.714%0.14131%0.307CS..Hα-helixtrans-57.2-50.6177.8-58.30000112.1T57 K58 S94 P95 N101 I102T57-T98 HydrophobicContact CG2-CG2 3.73Å; K58-T98 HydrophobicContact CG-CG2 4.11Å; S94-T98 PolarHBondContact O-N 3.49Å; S94-T98 PolarHBondContact O-OG1 2.87Å; P95-T98 PolarHBondContact O-N 3.43Å; T98-N101 PolarHBondContact O-N 2.76Å; T98-I102 HydrophobicContact CG2-CD1 3.97Å; T98-I102 WeakPolarHBondContact O-CG1 3.34Å; T98-I102 PolarHBondContact O-N 2.72Å; T98-I102 VanDerWaalsContact O-N 3.14Å
99I96.1Very high93.4Very high14 Ų1463.8 Ų63.87%0.07233%0.329CS..Hα-helixtrans-61.9-47.9179.9-66.9160.6000111M13 L44 T57 A61 I64 K72 P95 G97 N101 I102 L103M13-I99 HydrophobicContact SD-CD1 3.61Å; L44-I99 HydrophobicContact CD1-CD1 3.97Å; T57-I99 HydrophobicContact CG2-CG1 4.27Å; A61-I99 HydrophobicContact CB-CB 4.43Å; A61-I99 HydrophobicContact CB-CG1 4.13Å; A61-I99 HydrophobicContact CB-CG2 4.43Å; I64-I99 HydrophobicContact CD1-CG2 4.18Å; K72-I99 HydrophobicContact CD-CD1 3.85Å; P95-I99 WeakPolarHBondContact O-CB 3.49Å; P95-I99 WeakPolarHBondContact O-CD1 3.32Å; P95-I99 VanDerWaalsContact O-CG1 3.28Å; P95-I99 WeakPolarHBondContact O-CG1 3.31Å; P95-I99 PolarHBondContact O-N 2.78Å; G97-I99 PolarHBondContact O-N 3.12Å; I99-N101 VanDerWaalsContact C-N 3.28Å; I99-N101 PolarHBondContact O-N 3.35Å; I99-I102 PolarHBondContact O-N 2.95Å; I99-I102 VanDerWaalsContact O-N 3.15Å; I99-L103 HydrophobicContact CG2-CD1 3.59Å; I99-L103 HydrophobicContact CG2-CG 4.11Å; I99-L103 WeakPolarHBondContact O-CG 3.34Å; I99-L103 PolarHBondContact O-N 3.07Å
100R92.6Very high93.3Very high55 Ų5564.1 Ų64.121%0.20833%0.332CS..Hα-helixtrans-61-37.6178.7-72.6163.9-173.3154.76.6112.4N96 G97 I102 G104 A134N96-R100 WeakPolarHBondContact O-CB 3.21Å; N96-R100 WeakPolarHBondContact O-CD 3.41Å; N96-R100 WeakPolarHBondContact O-CG 3.36Å; N96-R100 PolarHBondContact O-N 3.12Å; N96-R100 VanDerWaalsContact O-N 3.1Å; G97-R100 PolarHBondContact O-N 3.48Å; R100-I102 VanDerWaalsContact C-N 3.31Å; R100-I102 PolarHBondContact O-N 2.85Å; R100-G104 VanDerWaalsContact O-CA 3.29Å; R100-G104 WeakPolarHBondContact O-CA 3.45Å; R100-G104 PolarHBondContact O-N 2.75Å; R100-A134 HydrophobicContact CB-CB 4.24Å; R100-A134 HydrophobicContact CG-CB 4.14Å
101N87.8Confident93.2Very high45 Ų4561.7 Ų61.724%0.24133%0.33CS..Hα-helixtrans-67.5-32.7178.2-70.8-24.2000112.6G97 T98 I99 R140G97-N101 WeakPolarHBondContact O-CB 3.48Å; G97-N101 PolarHBondContact O-N 2.82Å; G97-N101 PolarHBondContact O-ND2 3.35Å; G97-N101 VanDerWaalsContact O-ND2 3.11Å; T98-N101 PolarHBondContact O-N 2.76Å; I99-N101 VanDerWaalsContact C-N 3.28Å; I99-N101 PolarHBondContact O-N 3.35Å; N101-R140 WeakPolarHBondContact OD1-CD 3.33Å
102I91.9Very high93.1Very high50 Ų5065.1 Ų65.126%0.25635%0.349SS..Hα-helixtrans-79.3-41178.7-68.2167.2000111.2K58 A61 E62 K65 T98 I99 R100K58-I102 HydrophobicContact CB-CD1 4.31Å; K58-I102 HydrophobicContact CG-CD1 4.23Å; A61-I102 HydrophobicContact CB-CB 3.91Å; A61-I102 HydrophobicContact CB-CD1 3.65Å; A61-I102 HydrophobicContact CB-CG1 4.38Å; A61-I102 HydrophobicContact CB-CG2 3.77Å; E62-I102 WeakPolarHBondContact OE1-CG2 3.41Å; K65-I102 HydrophobicContact CD-CG2 3.87Å; T98-I102 HydrophobicContact CG2-CD1 3.97Å; T98-I102 WeakPolarHBondContact O-CG1 3.34Å; T98-I102 PolarHBondContact O-N 2.72Å; T98-I102 VanDerWaalsContact O-N 3.14Å; I99-I102 PolarHBondContact O-N 2.95Å; I99-I102 VanDerWaalsContact O-N 3.15Å; R100-I102 VanDerWaalsContact C-N 3.31Å; R100-I102 PolarHBondContact O-N 2.85Å
103L91.9Very high92.8Very high71 Ų7168.3 Ų68.337%0.37237%0.366SS..Hα-helixtrans-81.4-35-178.3-61.5-176.6000113.3I64 K65 I99I64-L103 HydrophobicContact CB-CD1 4.31Å; I64-L103 HydrophobicContact CB-CD2 4.11Å; I64-L103 HydrophobicContact CD1-CD1 4.09Å; I64-L103 HydrophobicContact CG2-CD1 3.76Å; I64-L103 HydrophobicContact CG2-CD2 3.94Å; K65-L103 HydrophobicContact CD-CD2 4.14Å; K65-L103 HydrophobicContact CG-CD2 3.48Å; K65-L103 VanDerWaalsContact CG-CD2 3.48Å; I99-L103 HydrophobicContact CG2-CD1 3.59Å; I99-L103 HydrophobicContact CG2-CG 4.11Å; I99-L103 WeakPolarHBondContact O-CG 3.34Å; I99-L103 PolarHBondContact O-N 3.07Å
104G87Confident92.8Very high38 Ų3863.3 Ų63.339%0.39235%0.352SS..  trans68.8-175.2-164.700000113R100R100-G104 VanDerWaalsContact O-CA 3.29Å; R100-G104 WeakPolarHBondContact O-CA 3.45Å; R100-G104 PolarHBondContact O-N 2.75Å
105G89.1Confident92.7Very high48 Ų4872 Ų7250%0.49539%0.385SS..  trans106.5-165.5169.400000115.9A134G105-A134 WeakPolarHBondContact O-CB 3.35Å
106T92.3Very high92.6Very high76 Ų7678.3 Ų78.347%0.46642%0.419SS..EExtended strand (participates in β ladder)trans-118.1131.6-175.5-53.30000109.8F108T106-F108 HydrophobicContact CG2-CD2 4.38Å; T106-F108 HydrophobicContact CG2-CE1 4.3Å; T106-F108 HydrophobicContact CG2-CE2 3.9Å; T106-F108 HydrophobicContact CG2-CZ 3.85Å
107V94.3Very high92.6Very high35 Ų3581 Ų8121%0.21243%0.432CS..EExtended strand (participates in β ladder)trans-91.2111.7174.71750000108.7R109 I130 R132 A134V107-R109 HydrophobicContact CG1-CG 4.22Å; V107-I130 VanDerWaalsContact O-O 3.13Å; V107-R132 HydrophobicContact CB-CB 4.4Å; V107-R132 PolarHBondContact N-O 3.28Å; V107-R132 PolarHBondContact O-N 3.04Å; V107-A134 HydrophobicContact CG2-CB 3.84Å
108F96.9Very high92.7Very high147 Ų14786.2 Ų86.265%0.64546%0.464SS*.EExtended strand (participates in β ladder)trans-86.1129.3171.2-65-85.6000110.1T106 I129 I130T106-F108 HydrophobicContact CG2-CD2 4.38Å; T106-F108 HydrophobicContact CG2-CE1 4.3Å; T106-F108 HydrophobicContact CG2-CE2 3.9Å; T106-F108 HydrophobicContact CG2-CZ 3.85Å; F108-I129 HydrophobicContact CB-CG2 4.27Å; F108-I129 HydrophobicContact CD1-CG2 3.91Å; F108-I130 WeakPolarHBondContact CA-O 3.35Å
109R96.4Very high92.7Very high141 Ų14189.9 Ų89.953%0.53248%0.475SS..EExtended strand (participates in β ladder)trans-119.2127.4172.6-68.8-176.2173.2-172.6-6109.5V107 I129 I130V107-R109 HydrophobicContact CG1-CG 4.22Å; R109-I129 WeakPolarHBondContact O-CA 3.44Å; R109-I130 PolarHBondContact N-O 2.72Å; R109-I130 PolarHBondContact O-N 3.14Å
110E95Very high92.7Very high129 Ų12997.7 Ų97.760%0.60352%0.516SS*.  trans-130.3144.1178-175.7174.5173.100109.7P127 I129E110-P127 HydrophobicContact CG-CB 4.45Å; E110-I129 HydrophobicContact CB-CG1 4.2Å; E110-I129 HydrophobicContact CG-CG1 4.03Å
111A92.4Very high92.8Very high56 Ų5698 Ų9846%0.46352%0.524SS..  trans-81.1133.3175.500000111.1I113A111-I113 HydrophobicContact CB-CD1 3.9Å; A111-I113 PolarHBondContact O-N 3.28Å
112I92.9Very high93Very high163 Ų163101.7 Ų101.784%0.83655%0.548SS*.  trans-78.7111.8167.7-60.4171.8000107.9
113I90.9Very high93.2Very high88 Ų88102 Ų10245%0.45156%0.564SS.*  trans-88.9117.4-173.7-54.4-59.5000111.4A111A111-I113 HydrophobicContact CB-CD1 3.9Å; A111-I113 PolarHBondContact O-N 3.28Å
114C92.2Very high93.3Very high60 Ų60105.3 Ų105.341%0.40557%0.572SS.*  trans-99.8124.8171.3-63.50000110.2N116 I117C114-N116 PolarHBondContact O-N 2.75Å; C114-N116 VanDerWaalsContact O-N 3.12Å; C114-I117 HydrophobicContact CB-CB 4.1Å; C114-I117 HydrophobicContact CB-CG1 3.57Å; C114-I117 PolarHBondContact O-N 3.26Å; C114-I117 VanDerWaalsContact O-N 3.12Å
115K91.5Very high93.3Very high217 Ų217109.2 Ų109.294%0.94359%0.588SS**THydrogen-bonded Turntrans-58.4-27.7-177.3-68.6-177.4-179.8178.50113.6
116N94.8Very high93.3Very high134 Ų134114.9 Ų114.972%0.71760%0.599SS**THydrogen-bonded Turntrans-95.24.2-17765.6-35.5000114.1C114C114-N116 PolarHBondContact O-N 2.75Å; C114-N116 VanDerWaalsContact O-N 3.12Å
117I94.1Very high93.2Very high100 Ų100114.5 Ų114.551%0.51360%0.598SS.*SBendtrans-107.7114.3178-57.3-60.4000108.9C114C114-I117 HydrophobicContact CB-CB 4.1Å; C114-I117 HydrophobicContact CB-CG1 3.57Å; C114-I117 PolarHBondContact O-N 3.26Å; C114-I117 VanDerWaalsContact O-N 3.12Å
118P93.8Very high93.2Very high120 Ų120117.2 Ų117.278%0.77961%0.61SS**  trans-66.5143.3176.227.8-32.9000110.5
119R93.8Very high93.2Very high101 Ų101114.6 Ų114.638%0.38160%0.602SS.*  trans-91.1142.9179.1-68.2174-67.2-93.67110.2V121 W124R119-V121 VanDerWaalsContact C-N 3.32Å; R119-V121 PolarHBondContact O-N 2.61Å; R119-W124 WeakPolarHBondContact CD-O 3.44Å; R119-W124 PolarHBondContact NE-O 2.77Å; R119-W124 PolarHBondContact NH2-O 2.84Å
120L94.5Very high93.2Very high177 Ų177112.8 Ų112.893%0.92760%0.601SS**SBendtrans-58.6-44.9175.9-177.465.8000111.4
121V95.3Very high93.3Very high61 Ų61108.9 Ų108.937%0.3760%0.596SS.*SBendtrans-95.6100.2172.2-174.70000108.2R119 G123 W124R119-V121 VanDerWaalsContact C-N 3.32Å; R119-V121 PolarHBondContact O-N 2.61Å; V121-G123 VanDerWaalsContact C-N 3.26Å; V121-G123 PolarHBondContact O-N 2.69Å; V121-W124 HydrophobicContact CB-CD2 3.65Å; V121-W124 HydrophobicContact CB-CE3 3.92Å; V121-W124 HydrophobicContact CB-CG 4Å; V121-W124 HydrophobicContact CB-CH2 4.46Å; V121-W124 HydrophobicContact CB-CZ2 4.22Å; V121-W124 HydrophobicContact CB-CZ3 4.32Å; V121-W124 HydrophobicContact CG1-CD2 3.89Å; V121-W124 HydrophobicContact CG1-CG 3.89Å; V121-W124 HydrophobicContact CG1-CZ2 4.35Å; V121-W124 HydrophobicContact CG2-CD2 4.25Å; V121-W124 HydrophobicContact CG2-CE3 4.28Å; V121-W124 HydrophobicContact CG2-CH2 4Å; V121-W124 HydrophobicContact CG2-CZ2 3.96Å; V121-W124 HydrophobicContact CG2-CZ3 4.16Å; V121-W124 PolarHBondContact O-N 3.31Å
122T93.2Very high93.3Very high123 Ų123108.9 Ų108.976%0.75558%0.584SS**THydrogen-bonded Turntrans-64.4-28.5-171.152.70000113.5W124T122-W124 VanDerWaalsContact C-N 3.29Å; T122-W124 PolarHBondContact O-N 2.77Å
123G94.3Very high93.2Very high57 Ų57106.1 Ų106.159%0.58857%0.567SS**THydrogen-bonded Turntrans-73-13.4177.900000115V121 V125V121-G123 VanDerWaalsContact C-N 3.26Å; V121-G123 PolarHBondContact O-N 2.69Å; G123-V125 PolarHBondContact O-N 3.04Å
124W94.2Very high93Very high140 Ų140102.4 Ų102.453%0.5355%0.549SS..  trans-75.1100.2177.3-69.3-8.1000110R119 V121 T122 I128R119-W124 WeakPolarHBondContact CD-O 3.44Å; R119-W124 PolarHBondContact NE-O 2.77Å; R119-W124 PolarHBondContact NH2-O 2.84Å; V121-W124 HydrophobicContact CB-CD2 3.65Å; V121-W124 HydrophobicContact CB-CE3 3.92Å; V121-W124 HydrophobicContact CB-CG 4Å; V121-W124 HydrophobicContact CB-CH2 4.46Å; V121-W124 HydrophobicContact CB-CZ2 4.22Å; V121-W124 HydrophobicContact CB-CZ3 4.32Å; V121-W124 HydrophobicContact CG1-CD2 3.89Å; V121-W124 HydrophobicContact CG1-CG 3.89Å; V121-W124 HydrophobicContact CG1-CZ2 4.35Å; V121-W124 HydrophobicContact CG2-CD2 4.25Å; V121-W124 HydrophobicContact CG2-CE3 4.28Å; V121-W124 HydrophobicContact CG2-CH2 4Å; V121-W124 HydrophobicContact CG2-CZ2 3.96Å; V121-W124 HydrophobicContact CG2-CZ3 4.16Å; V121-W124 PolarHBondContact O-N 3.31Å; T122-W124 VanDerWaalsContact C-N 3.29Å; T122-W124 PolarHBondContact O-N 2.77Å; W124-I128 HydrophobicContact CD2-CD1 3.92Å; W124-I128 HydrophobicContact CE3-CD1 4.4Å; W124-I128 HydrophobicContact CG-CD1 4.27Å; W124-I128 HydrophobicContact CZ2-CD1 4.07Å
125V86.8Confident92.7Very high120 Ų120101.3 Ų101.373%0.72754%0.537SS*.  trans-102.3-11.2179.6-65.70000113.6G123G123-V125 PolarHBondContact O-N 3.04Å
126K89.5Confident92.6Very high168 Ų16891 Ų9173%0.7349%0.493SS*.SBendtrans-121.8152.8176.6-69.4-179-178.1-179.70109.8
127P90.4Very high92.5Very high68 Ų6887.5 Ų87.544%0.44247%0.474SS..  trans-63.8147.3174.327.8-34000110.7E110E110-P127 HydrophobicContact CG-CB 4.45Å
128I94.6Very high92.3Very high91 Ų9188.6 Ų88.647%0.46748%0.477SS..  trans-111.1126.7170.5-62.5172.4000106.5W124W124-I128 HydrophobicContact CD2-CD1 3.92Å; W124-I128 HydrophobicContact CE3-CD1 4.4Å; W124-I128 HydrophobicContact CG-CD1 4.27Å; W124-I128 HydrophobicContact CZ2-CD1 4.07Å
129I96.6Very high91.9Very high93 Ų9389.6 Ų89.648%0.47747%0.466SS..  trans-105.8125.3177.7-55.9174.1000107.9F108 R109 E110F108-I129 HydrophobicContact CB-CG2 4.27Å; F108-I129 HydrophobicContact CD1-CG2 3.91Å; R109-I129 WeakPolarHBondContact O-CA 3.44Å; E110-I129 HydrophobicContact CB-CG1 4.2Å; E110-I129 HydrophobicContact CG-CG1 4.03Å
130I97.6Very high91.5Very high102 Ų10289.1 Ų89.152%0.52346%0.464SS..EExtended strand (participates in β ladder)trans-99.2113176.3-60.7174.9000108.1V107 F108 R109 R132V107-I130 VanDerWaalsContact O-O 3.13Å; F108-I130 WeakPolarHBondContact CA-O 3.35Å; R109-I130 PolarHBondContact N-O 2.72Å; R109-I130 PolarHBondContact O-N 3.14Å; I130-R132 HydrophobicContact CG2-CB 4.46Å; I130-R132 PolarHBondContact O-N 3.43Å
131G96.2Very high91.3Very high47 Ų4781.8 Ų81.849%0.48543%0.429SS..EExtended strand (participates in β ladder)trans-83.599.6165.300000109.5
132R93.5Very high91.3Very high57 Ų5784 Ų8422%0.21544%0.443CS..EExtended strand (participates in β ladder)trans-92.7123.9179.7175.5-178160.2-177.6-10.7110.3V107 I130 A134 Y139V107-R132 HydrophobicContact CB-CB 4.4Å; V107-R132 PolarHBondContact N-O 3.28Å; V107-R132 PolarHBondContact O-N 3.04Å; I130-R132 HydrophobicContact CG2-CB 4.46Å; I130-R132 PolarHBondContact O-N 3.43Å; R132-A134 PolarHBondContact O-N 3.1Å; R132-Y139 PolarHBondContact NH1-OH 2.87Å; R132-Y139 VanDerWaalsContact NH2-CE1 3.27Å; R132-Y139 PolarHBondContact NH2-OH 3.31Å
133H89.5Confident91.3Very high104 Ų10483.9 Ų83.948%0.48144%0.438SS..EExtended strand (participates in β ladder)trans-61.9126.3168.3-172-150.6000110.2Y135 N184H133-Y135 PolarHBondContact CE1-O 2.88Å; H133-N184 PolarHBondContact CE1-ND2 2.86Å; H133-N184 PolarHBondContact CE1-OD1 3.11Å
134A86.6Confident91.4Very high10 Ų1086.1 Ų86.18%0.08343%0.431CS..  trans-109.320.3-169.700000113.6R100 G105 V107 R132R100-A134 HydrophobicContact CB-CB 4.24Å; R100-A134 HydrophobicContact CG-CB 4.14Å; G105-A134 WeakPolarHBondContact O-CB 3.35Å; V107-A134 HydrophobicContact CG2-CB 3.84Å; R132-A134 PolarHBondContact O-N 3.1Å
135Y86.3Confident91.5Very high37 Ų3784.6 Ų84.615%0.14544%0.437CS..SBendtrans-134.1141.9-176.2-175.2-97.7000112.3H133 R140 Y183 N184 Q185H133-Y135 PolarHBondContact CE1-O 2.88Å; Y135-R140 PolarHBondContact OH-NH1 3.28Å; Y135-Y183 HydrophobicContact CE1-CE2 4.47Å; Y135-N184 WeakPolarHBondContact CD1-OD1 2.99Å; Y135-N184 PolarHBondContact O-ND2 3.19Å; Y135-Q185 HydrophobicContact CD1-CG 4.21Å; Y135-Q185 HydrophobicContact CE1-CB 4.37Å; Y135-Q185 HydrophobicContact CE1-CG 3.56Å; Y135-Q185 PolarHBondContact OH-OE1 2.77Å
136G88.4Confident92Very high1 Ų179.2 Ų79.21%0.0141%0.405CS..SBendtrans77.1-151.2174.100000114.8Y139 Y183G136-Y139 PolarHBondContact O-N 3.36Å; G136-Y183 WeakPolarHBondContact CA-O 3.18Å
137D93.2Very high92.4Very high60 Ų6077.3 Ų77.332%0.32141%0.41SS..G310 helixtrans52-144.7176.2-52.8-14.1000112.5Y139 R140 A141 M182 Y183 N184D137-Y139 PolarHBondContact O-N 3Å; D137-R140 CarbonylContact O-C 3.58Å; D137-R140 PolarHBondContact O-N 3.38Å; D137-A141 PolarHBondContact O-N 3.2Å; D137-A141 VanDerWaalsContact O-N 3.14Å; D137-M182 HydrophobicContact CB-SD 4.41Å; D137-Y183 PolarHBondContact N-O 3.41Å; D137-N184 PolarHBondContact OD1-ND2 2.93Å
138Q91.1Very high92.7Very high124 Ų12475 Ų7558%0.57940%0.398SS*.G310 helixtrans-60.2-21.5-176.6-56.989.4-10.500113.1R140 M182Q138-R140 VanDerWaalsContact C-N 3.26Å; Q138-R140 PolarHBondContact O-N 2.94Å; Q138-M182 HydrophobicContact CG-CE 3.92Å
139Y84.2Confident92.9Very high140 Ų14074.9 Ų74.955%0.54940%0.403SS..G310 helixtrans-76.5-13.5-179.9-64.8-86.1000113.4R132 G136 D137R132-Y139 PolarHBondContact NH1-OH 2.87Å; R132-Y139 VanDerWaalsContact NH2-CE1 3.27Å; R132-Y139 PolarHBondContact NH2-OH 3.31Å; G136-Y139 PolarHBondContact O-N 3.36Å; D137-Y139 PolarHBondContact O-N 3Å
140R85.3Confident92.9Very high91 Ų9171.9 Ų71.934%0.34340%0.395SS..G310 helixtrans-130.723.5173.1-60.8-164.676.6-176.4-4.3112.3N101 Y135 D137 Q138 Y183N101-R140 WeakPolarHBondContact OD1-CD 3.33Å; Y135-R140 PolarHBondContact OH-NH1 3.28Å; D137-R140 CarbonylContact O-C 3.58Å; D137-R140 PolarHBondContact O-N 3.38Å; Q138-R140 VanDerWaalsContact C-N 3.26Å; Q138-R140 PolarHBondContact O-N 2.94Å; R140-Y183 HydrophobicContact CB-CE1 3.98Å; R140-Y183 PolarHBondContact NE-OH 3.35Å; R140-Y183 PolarHBondContact NH1-OH 3.24Å; R140-Y183 PolarHBondContact NH2-OH 2.93Å
141A91.2Very high92.9Very high23 Ų2373 Ų7319%0.1940%0.396CS..  trans-68.9158.5175.500000111.3D137 M180 G181 M182D137-A141 PolarHBondContact O-N 3.2Å; D137-A141 VanDerWaalsContact O-N 3.14Å; A141-M180 HydrophobicContact CB-CG 3.7Å; A141-M180 HydrophobicContact CB-SD 3.7Å; A141-G181 CarbonylContact C-O 3.55Å; A141-G181 WeakPolarHBondContact CA-O 3.32Å; A141-G181 WeakPolarHBondContact CB-O 3.26Å; A141-M182 HydrophobicContact CB-CB 4.12Å
142T93.9Very high93Very high109 Ų10971.7 Ų71.767%0.66938%0.379SS*.EExtended strand (participates in β ladder)trans-114.4121.3162.2-63.90000107.1M180 G181T142-M180 CarbonylContact O-C 3.56Å; T142-M180 WeakPolarHBondContact O-CA 3.1Å; T142-G181 PolarHBondContact N-O 3.23Å; T142-G181 PolarHBondContact O-N 3.43Å
143D95.1Very high93.2Very high119 Ų11974 Ų7464%0.63639%0.392SS*.EExtended strand (participates in β ladder)trans-125.4153.8-179.362.1-50.6000110.9A179 M180D143-A179 VanDerWaalsContact CA-O 3.27Å; D143-A179 WeakPolarHBondContact CA-O 3.45Å; D143-M180 HydrophobicContact CB-CB 4.14Å; D143-M180 HydrophobicContact CB-CG 4.2Å
144F95.4Very high93.6Very high104 Ų10473.4 Ų73.446%0.45639%0.392SS..EExtended strand (participates in β ladder)trans-158.4158.6176.268.2-75.5000111.2V146 V152 V178 A179F144-V146 HydrophobicContact CD2-CG2 4.36Å; F144-V146 HydrophobicContact CE2-CG2 3.73Å; F144-V146 HydrophobicContact CZ-CG2 4.11Å; F144-V152 HydrophobicContact CZ-CG1 4.45Å; F144-V152 HydrophobicContact CZ-CG2 4.1Å; F144-V178 WeakPolarHBondContact O-CA 3.45Å; F144-A179 HydrophobicContact CD1-CB 4.32Å; F144-A179 HydrophobicContact CE1-CB 3.67Å; F144-A179 HydrophobicContact CZ-CB 3.89Å; F144-A179 PolarHBondContact N-O 3.28Å; F144-A179 PolarHBondContact O-N 3.47Å
145V96.9Very high94.1Very high108 Ų10876.2 Ų76.266%0.65541%0.408SS*.EExtended strand (participates in β ladder)trans-81.1124169.1-1800000108.4P147 G177 V178V145-P147 WeakPolarHBondContact O-CD 3.45Å; V145-G177 CarbonylContact C-O 3.52Å; V145-G177 WeakPolarHBondContact CA-O 3.41Å; V145-V178 HydrophobicContact CG2-CG1 4.46Å
146V97.6Very high94.7Very high8 Ų881.6 Ų81.65%0.04843%0.429CS..EExtended strand (participates in β ladder)trans-77.4116.7171.7-178.40000107.2F144 G148 V152 F172 G176 G177 A179F144-V146 HydrophobicContact CD2-CG2 4.36Å; F144-V146 HydrophobicContact CE2-CG2 3.73Å; F144-V146 HydrophobicContact CZ-CG2 4.11Å; V146-G148 VanDerWaalsContact C-N 3.32Å; V146-G148 WeakPolarHBondContact CG1-O 3.19Å; V146-G148 PolarHBondContact O-N 3.36Å; V146-V152 HydrophobicContact CG2-CG2 3.98Å; V146-F172 HydrophobicContact CB-CE1 4.49Å; V146-F172 HydrophobicContact CB-CE2 4.44Å; V146-F172 HydrophobicContact CB-CZ 4.37Å; V146-F172 HydrophobicContact CG1-CD1 4.38Å; V146-F172 HydrophobicContact CG1-CD2 3.96Å; V146-F172 HydrophobicContact CG1-CE2 4.24Å; V146-F172 HydrophobicContact CG1-CG 4.05Å; V146-F172 HydrophobicContact CG2-CD2 4.42Å; V146-F172 HydrophobicContact CG2-CE1 4.43Å; V146-F172 HydrophobicContact CG2-CE2 3.86Å; V146-F172 HydrophobicContact CG2-CZ 3.86Å; V146-G176 CarbonylContact O-C 3.59Å; V146-G176 WeakPolarHBondContact O-CA 3.47Å; V146-G177 PolarHBondContact N-O 3.04Å; V146-G177 PolarHBondContact O-N 3.23Å; V146-A179 HydrophobicContact CG2-CB 4.03Å
147P97Very high95.1Very high128 Ų12885.2 Ų85.283%0.83145%0.451SS*.  trans-76.3-15.2-166.329.2-35.8000114.5V145V145-P147 WeakPolarHBondContact O-CD 3.45Å
148G97.3Very high95.3Very high19 Ų1983 Ų8320%0.19644%0.44CS..SBendtrans176.7-167-175.400000111V146 G175V146-G148 VanDerWaalsContact C-N 3.32Å; V146-G148 WeakPolarHBondContact CG1-O 3.19Å; V146-G148 PolarHBondContact O-N 3.36Å; G148-G175 CarbonylContact C-O 3.6Å
149P97.9Very high95.5Very high89 Ų8987.6 Ų87.658%0.57846%0.458SS*.SBendtrans-55.8139.7-179.1-27.935.8000114F172 E173P149-F172 CarbonylContact C-O 3.39Å; P149-F172 WeakPolarHBondContact CA-O 3.48Å; P149-F172 WeakPolarHBondContact CB-O 3.29Å; P149-E173 WeakPolarHBondContact CB-O 3.16Å; P149-E173 WeakPolarHBondContact CG-O 3.45Å
150G97.2Very high96Very high30 Ų3086.7 Ų86.731%0.30946%0.463SS..EExtended strand (participates in β ladder)trans157.6169.1178.700000114.7F172G150-F172 PolarHBondContact N-O 2.86Å; G150-F172 WeakPolarHBondContact O-CB 3.17Å; G150-F172 WeakPolarHBondContact O-CD2 2.97Å; G150-F172 PolarHBondContact O-N 3.29Å
151K97.9Very high96.4Very high124 Ų12485.6 Ų85.654%0.53948%0.48SS..EExtended strand (participates in β ladder)trans-90.7134.8-178.9-67.8178.8178.6179.40112.2D171K151-D171 WeakPolarHBondContact CE-OD2 3.45Å; K151-D171 HydrophobicContact CG-CB 4.05Å; K151-D171 VanDerWaalsContact CG-CG 3.49Å; K151-D171 WeakPolarHBondContact CG-OD1 3.34Å; K151-D171 IonicContact NZ-OD2 3.64Å
152V98.1Very high96.6Very high20 Ų2088.2 Ų88.212%0.12149%0.493CS..EExtended strand (participates in β ladder)trans-107125.8166.4177.50000108.5F144 V146 V169 H170 F172 A179F144-V152 HydrophobicContact CZ-CG1 4.45Å; F144-V152 HydrophobicContact CZ-CG2 4.1Å; V146-V152 HydrophobicContact CG2-CG2 3.98Å; V152-V169 HydrophobicContact CB-CB 4.47Å; V152-V169 HydrophobicContact CG1-CB 4.2Å; V152-V169 HydrophobicContact CG1-CG2 4.4Å; V152-V169 WeakPolarHBondContact O-CA 3.26Å; V152-V169 WeakPolarHBondContact O-CB 3.39Å; V152-V169 PolarHBondContact O-N 2.85Å; V152-H170 PolarHBondContact N-O 2.77Å; V152-H170 PolarHBondContact O-N 2.93Å; V152-F172 HydrophobicContact CB-CE2 4.27Å; V152-F172 HydrophobicContact CG2-CD2 4.04Å; V152-F172 HydrophobicContact CG2-CE2 3.59Å; V152-A179 HydrophobicContact CG1-CB 3.95Å; V152-A179 HydrophobicContact CG2-CB 4.24Å
153E98.1Very high96.7Very high105 Ų10591.5 Ų91.549%0.49150%0.501SS..EExtended strand (participates in β ladder)trans-127.3149.9-178.5-57.9-176.2140.500110.7T166 Y167E153-T166 HydrophobicContact CB-CG2 3.9Å; E153-T166 HydrophobicContact CG-CG2 4.29Å; E153-Y167 CarbonylContact C-O 3.57Å; E153-Y167 VanDerWaalsContact CA-O 3.31Å; E153-Y167 WeakPolarHBondContact CA-O 3.21Å
154I97.6Very high96.8Very high92 Ų9292 Ų9247%0.47250%0.498SS..EExtended strand (participates in β ladder)trans-110.4125.1169.4-71.2168.4000108.1T166 Y167 V169I154-T166 WeakPolarHBondContact O-CA 3.48Å; I154-Y167 PolarHBondContact N-O 3.33Å; I154-Y167 PolarHBondContact O-N 3.46Å; I154-V169 HydrophobicContact CB-CG2 4.22Å; I154-V169 HydrophobicContact CD1-CG2 3.58Å; I154-V169 HydrophobicContact CG1-CG2 3.57Å
155T97.4Very high96.9Very high70 Ų7089.8 Ų89.843%0.42949%0.493SS..EExtended strand (participates in β ladder)trans-118125.6-179-62.30000111.3K164 V165 T166T155-K164 HydrophobicContact CG2-CB 4.44Å; T155-K164 HydrophobicContact CG2-CD 4.48Å; T155-V165 CarbonylContact C-O 3.58Å; T155-V165 WeakPolarHBondContact CA-O 3.39Å; T155-T166 PolarHBondContact OG1-OG1 3.29Å
156Y97Very high97Very high149 Ų14987.9 Ų87.958%0.58448%0.481SS*.EExtended strand (participates in β ladder)trans-97.4125.1168.8175.8-115.8000109.9P158 K164 V165Y156-P158 HydrophobicContact CD1-CG 4.03Å; Y156-P158 HydrophobicContact CE1-CB 4.18Å; Y156-P158 HydrophobicContact CE1-CG 3.68Å; Y156-K164 WeakPolarHBondContact O-CA 3.44Å; Y156-V165 PolarHBondContact N-O 3.3Å; Y156-V165 PolarHBondContact O-N 3.24Å
157T97.4Very high97Very high78 Ų7894.7 Ų94.748%0.47951%0.507SS..  trans-110.2107.3173.7-60.90000109.3K164T157-K164 HydrophobicContact CG2-CD 4.31Å; T157-K164 HydrophobicContact CG2-CG 4.11Å; T157-K164 WeakPolarHBondContact OG1-CD 3.34Å; T157-K164 WeakPolarHBondContact OG1-CE 3.37Å
158P96.8Very high97Very high14 Ų1494 Ų949%0.09149%0.494CS..  trans-60.7143.8176.3-22.833.3000112.3Y156 D160 T162Y156-P158 HydrophobicContact CD1-CG 4.03Å; Y156-P158 HydrophobicContact CE1-CB 4.18Å; Y156-P158 HydrophobicContact CE1-CG 3.68Å; P158-D160 VanDerWaalsContact C-N 3.34Å; P158-D160 WeakPolarHBondContact CB-OD1 3.26Å; P158-T162 WeakPolarHBondContact CB-OG1 3.18Å; P158-T162 WeakPolarHBondContact CG-OG1 3.45Å
159K95.9Very high97Very high219 Ų21996.8 Ų96.895%0.95251%0.507SS*.THydrogen-bonded Turntrans-73.7-25.5177.8-75.5-171.2176.7-178.20113.7G161K159-G161 PolarHBondContact O-N 2.92Å
160D96.1Very high97Very high122 Ų12297.3 Ų97.365%0.65250%0.502SS*.THydrogen-bonded Turntrans-79.71.5-18060.94.4000113.1P158 T162P158-D160 VanDerWaalsContact C-N 3.34Å; P158-D160 WeakPolarHBondContact CB-OD1 3.26Å; D160-T162 VanDerWaalsContact C-N 3.26Å; D160-T162 PolarHBondContact O-N 3.24Å; D160-T162 WeakPolarHBondContact OD1-CB 3.31Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.44Å; D160-T162 PolarHBondContact OD1-N 3.5Å; D160-T162 PolarHBondContact OD1-OG1 3.45Å
161G93.1Very high97Very high68 Ų6898.4 Ų98.470%0.70150%0.501SS*.  trans787-18000000114.2K159K159-G161 PolarHBondContact O-N 2.92Å
162T95.4Very high97Very high77 Ų7793.9 Ų93.947%0.47248%0.481SS..PPolyproline II helixtrans-62.4164.4170.157.10000111.4P158 D160 K164P158-T162 WeakPolarHBondContact CB-OG1 3.18Å; P158-T162 WeakPolarHBondContact CG-OG1 3.45Å; D160-T162 VanDerWaalsContact C-N 3.26Å; D160-T162 PolarHBondContact O-N 3.24Å; D160-T162 WeakPolarHBondContact OD1-CB 3.31Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.44Å; D160-T162 PolarHBondContact OD1-N 3.5Å; D160-T162 PolarHBondContact OD1-OG1 3.45Å; T162-K164 PolarHBondContact O-N 3.06Å
163Q96.1Very high96.9Very high179 Ų179100.4 Ų100.484%0.83651%0.51SS*.PPolyproline II helixtrans-59.3131.6-170.6-171.5168.68.300111.7
164K97.1Very high96.7Very high130 Ų130104.5 Ų104.557%0.56553%0.529SS*.PPolyproline II helixtrans-59.2143.2172.9-62.8-175.1179.3-178.30110.1T155 Y156 T157 T162T155-K164 HydrophobicContact CG2-CB 4.44Å; T155-K164 HydrophobicContact CG2-CD 4.48Å; Y156-K164 WeakPolarHBondContact O-CA 3.44Å; T157-K164 HydrophobicContact CG2-CD 4.31Å; T157-K164 HydrophobicContact CG2-CG 4.11Å; T157-K164 WeakPolarHBondContact OG1-CD 3.34Å; T157-K164 WeakPolarHBondContact OG1-CE 3.37Å; T162-K164 PolarHBondContact O-N 3.06Å
165V97.5Very high96.5Very high57 Ų57101.7 Ų101.735%0.34552%0.523SS..EExtended strand (participates in β ladder)trans-114126173.6-166.30000108.7T155 Y156 Y167T155-V165 CarbonylContact C-O 3.58Å; T155-V165 WeakPolarHBondContact CA-O 3.39Å; Y156-V165 PolarHBondContact N-O 3.3Å; Y156-V165 PolarHBondContact O-N 3.24Å; V165-Y167 HydrophobicContact CB-CE2 4.09Å; V165-Y167 HydrophobicContact CG1-CD2 4.14Å; V165-Y167 HydrophobicContact CG1-CE1 4.17Å; V165-Y167 HydrophobicContact CG1-CE2 3.38Å; V165-Y167 WeakPolarHBondContact CG1-OH 3.36Å
166T97.9Very high96.5Very high67 Ų67100.4 Ų100.441%0.41152%0.524SS..EExtended strand (participates in β ladder)trans-118129.9178.5-62.40000108.9E153 I154 T155E153-T166 HydrophobicContact CB-CG2 3.9Å; E153-T166 HydrophobicContact CG-CG2 4.29Å; I154-T166 WeakPolarHBondContact O-CA 3.48Å; T155-T166 PolarHBondContact OG1-OG1 3.29Å
167Y97.7Very high96.5Very high152 Ų15294.6 Ų94.660%0.59651%0.509SS*.EExtended strand (participates in β ladder)trans-117.1127.6176.2-60.5-86000108.9E153 I154 V165 V169E153-Y167 CarbonylContact C-O 3.57Å; E153-Y167 VanDerWaalsContact CA-O 3.31Å; E153-Y167 WeakPolarHBondContact CA-O 3.21Å; I154-Y167 PolarHBondContact N-O 3.33Å; I154-Y167 PolarHBondContact O-N 3.46Å; V165-Y167 HydrophobicContact CB-CE2 4.09Å; V165-Y167 HydrophobicContact CG1-CD2 4.14Å; V165-Y167 HydrophobicContact CG1-CE1 4.17Å; V165-Y167 HydrophobicContact CG1-CE2 3.38Å; V165-Y167 WeakPolarHBondContact CG1-OH 3.36Å; Y167-V169 PolarHBondContact O-N 3.41Å
168M97.6Very high96.5Very high112 Ų11296.1 Ų96.155%0.55252%0.518SS*.EExtended strand (participates in β ladder)trans-69.7124.4169.8-169.4-172.2-52.100108.7
169V97.6Very high96.5Very high78 Ų7896.2 Ų96.247%0.47352%0.52SS..EExtended strand (participates in β ladder)trans-85.6-52.8174.3-179.40000109.2V152 I154 Y167V152-V169 HydrophobicContact CB-CB 4.47Å; V152-V169 HydrophobicContact CG1-CB 4.2Å; V152-V169 HydrophobicContact CG1-CG2 4.4Å; V152-V169 WeakPolarHBondContact O-CA 3.26Å; V152-V169 WeakPolarHBondContact O-CB 3.39Å; V152-V169 PolarHBondContact O-N 2.85Å; I154-V169 HydrophobicContact CB-CG2 4.22Å; I154-V169 HydrophobicContact CD1-CG2 3.58Å; I154-V169 HydrophobicContact CG1-CG2 3.57Å; Y167-V169 PolarHBondContact O-N 3.41Å
170H98Very high96.6Very high101 Ų10190.7 Ų90.747%0.46850%0.499SS..EExtended strand (participates in β ladder)trans-161.4152.8179.4-166.758000111V152 F172V152-H170 PolarHBondContact N-O 2.77Å; V152-H170 PolarHBondContact O-N 2.93Å; H170-F172 HydrophobicContact CB-CD2 4.49Å; H170-F172 HydrophobicContact CB-CE2 4.09Å; H170-F172 AromaticContact CD2-CD1 3.92Å; H170-F172 AromaticContact CD2-CD2 3.7Å; H170-F172 AromaticContact CD2-CE1 3.93Å; H170-F172 AromaticContact CD2-CE2 3.71Å; H170-F172 AromaticContact CD2-CG 3.8Å; H170-F172 AromaticContact CD2-CZ 3.83Å
171D97.7Very high96.7Very high53 Ų5386.3 Ų86.328%0.28348%0.483SS..EExtended strand (participates in β ladder)trans-111.2110.8167.5-163.3-4000107.9K151 E173K151-D171 WeakPolarHBondContact CE-OD2 3.45Å; K151-D171 HydrophobicContact CG-CB 4.05Å; K151-D171 VanDerWaalsContact CG-CG 3.49Å; K151-D171 WeakPolarHBondContact CG-OD1 3.34Å; K151-D171 IonicContact NZ-OD2 3.64Å; D171-E173 PolarHBondContact O-N 2.92Å
172F97.8Very high96.9Very high29 Ų2987.3 Ų87.313%0.12747%0.47CS..EExtended strand (participates in β ladder)trans-80.8106.5178.5-69.5-97.7000108.3V146 P149 G150 V152 H170 G175V146-F172 HydrophobicContact CB-CE1 4.49Å; V146-F172 HydrophobicContact CB-CE2 4.44Å; V146-F172 HydrophobicContact CB-CZ 4.37Å; V146-F172 HydrophobicContact CG1-CD1 4.38Å; V146-F172 HydrophobicContact CG1-CD2 3.96Å; V146-F172 HydrophobicContact CG1-CE2 4.24Å; V146-F172 HydrophobicContact CG1-CG 4.05Å; V146-F172 HydrophobicContact CG2-CD2 4.42Å; V146-F172 HydrophobicContact CG2-CE1 4.43Å; V146-F172 HydrophobicContact CG2-CE2 3.86Å; V146-F172 HydrophobicContact CG2-CZ 3.86Å; P149-F172 CarbonylContact C-O 3.39Å; P149-F172 WeakPolarHBondContact CA-O 3.48Å; P149-F172 WeakPolarHBondContact CB-O 3.29Å; G150-F172 PolarHBondContact N-O 2.86Å; G150-F172 WeakPolarHBondContact O-CB 3.17Å; G150-F172 WeakPolarHBondContact O-CD2 2.97Å; G150-F172 PolarHBondContact O-N 3.29Å; V152-F172 HydrophobicContact CB-CE2 4.27Å; V152-F172 HydrophobicContact CG2-CD2 4.04Å; V152-F172 HydrophobicContact CG2-CE2 3.59Å; H170-F172 HydrophobicContact CB-CD2 4.49Å; H170-F172 HydrophobicContact CB-CE2 4.09Å; H170-F172 AromaticContact CD2-CD1 3.92Å; H170-F172 AromaticContact CD2-CD2 3.7Å; H170-F172 AromaticContact CD2-CE1 3.93Å; H170-F172 AromaticContact CD2-CE2 3.71Å; H170-F172 AromaticContact CD2-CG 3.8Å; H170-F172 AromaticContact CD2-CZ 3.83Å; F172-G175 WeakPolarHBondContact CB-O 3.45Å
173E95.9Very high96.8Very high157 Ų15788.3 Ų88.373%0.73447%0.466SS*.  trans-86.7-46.3-170.9-64.1-174.5174.500113.9P149 D171P149-E173 WeakPolarHBondContact CB-O 3.16Å; P149-E173 WeakPolarHBondContact CG-O 3.45Å; D171-E173 PolarHBondContact O-N 2.92Å
174E93.1Very high96.7Very high191 Ų19182.7 Ų82.789%0.89344%0.441SS*.SBendtrans-106.3-20.6-169.5-63.3-173.4170.900114.1
175G94Very high96.5Very high33 Ų3381 Ų8134%0.3444%0.436SS..SBendtrans-161.5-178.4-172.700000113.8G148 F172G148-G175 CarbonylContact C-O 3.6Å; F172-G175 WeakPolarHBondContact CB-O 3.45Å
176G96.1Very high96.1Very high43 Ų4387 Ų8744%0.44347%0.466SS..  trans-78-168.7174.900000113.2V146V146-G176 CarbonylContact O-C 3.59Å; V146-G176 WeakPolarHBondContact O-CA 3.47Å
177G97.1Very high95.2Very high27 Ų2795.2 Ų95.228%0.27850%0.496SS..EExtended strand (participates in β ladder)trans175.6-146.9179.700000111.7V145 V146V145-G177 CarbonylContact C-O 3.52Å; V145-G177 WeakPolarHBondContact CA-O 3.41Å; V146-G177 PolarHBondContact N-O 3.04Å; V146-G177 PolarHBondContact O-N 3.23Å
178V97.8Very high95.1Very high110 Ų11092.4 Ų92.467%0.66749%0.491SS*.EExtended strand (participates in β ladder)trans-136.1148.6175.9-65.60000109.8F144 V145F144-V178 WeakPolarHBondContact O-CA 3.45Å; V145-V178 HydrophobicContact CG2-CG1 4.46Å
179A97.8Very high94.9Very high16 Ų1691.3 Ų91.313%0.13249%0.487CS..EExtended strand (participates in β ladder)trans-136.7149.6173.600000110.3D143 F144 V146 V152D143-A179 VanDerWaalsContact CA-O 3.27Å; D143-A179 WeakPolarHBondContact CA-O 3.45Å; F144-A179 HydrophobicContact CD1-CB 4.32Å; F144-A179 HydrophobicContact CE1-CB 3.67Å; F144-A179 HydrophobicContact CZ-CB 3.89Å; F144-A179 PolarHBondContact N-O 3.28Å; F144-A179 PolarHBondContact O-N 3.47Å; V146-A179 HydrophobicContact CG2-CB 4.03Å; V152-A179 HydrophobicContact CG1-CB 3.95Å; V152-A179 HydrophobicContact CG2-CB 4.24Å
180M97.9Very high94.8Very high103 Ų10392.1 Ų92.151%0.50749%0.488SS..EExtended strand (participates in β ladder)trans-143.1132.9179.7178.5-179.950.900109.9A141 T142 D143 M182A141-M180 HydrophobicContact CB-CG 3.7Å; A141-M180 HydrophobicContact CB-SD 3.7Å; T142-M180 CarbonylContact O-C 3.56Å; T142-M180 WeakPolarHBondContact O-CA 3.1Å; D143-M180 HydrophobicContact CB-CB 4.14Å; D143-M180 HydrophobicContact CB-CG 4.2Å; M180-M182 HydrophobicContact CE-CE 3.32Å; M180-M182 HydrophobicContact SD-CE 3.87Å
181G97Very high94.6Very high30 Ų3091.5 Ų91.531%0.30949%0.489SS..EExtended strand (participates in β ladder)trans-111.3136.7167.600000110.5A141 T142A141-G181 CarbonylContact C-O 3.55Å; A141-G181 WeakPolarHBondContact CA-O 3.32Å; A141-G181 WeakPolarHBondContact CB-O 3.26Å; T142-G181 PolarHBondContact N-O 3.23Å; T142-G181 PolarHBondContact O-N 3.43Å
182M97Very high94.4Very high89 Ų8993.9 Ų93.944%0.43850%0.502SS..  trans-136.4164.6175.969178.974.300111D137 Q138 A141 M180D137-M182 HydrophobicContact CB-SD 4.41Å; Q138-M182 HydrophobicContact CG-CE 3.92Å; A141-M182 HydrophobicContact CB-CB 4.12Å; M180-M182 HydrophobicContact CE-CE 3.32Å; M180-M182 HydrophobicContact SD-CE 3.87Å
183Y95.3Very high94.2Very high98 Ų9898.3 Ų98.338%0.38453%0.527SS..  trans-149.1162.5-179.870-82.8000111.8Y135 G136 D137 R140Y135-Y183 HydrophobicContact CE1-CE2 4.47Å; G136-Y183 WeakPolarHBondContact CA-O 3.18Å; D137-Y183 PolarHBondContact N-O 3.41Å; R140-Y183 HydrophobicContact CB-CE1 3.98Å; R140-Y183 PolarHBondContact NE-OH 3.35Å; R140-Y183 PolarHBondContact NH1-OH 3.24Å; R140-Y183 PolarHBondContact NH2-OH 2.93Å
184N94Very high94.1Very high60 Ų6094.1 Ų94.132%0.32151%0.513SS..  trans-140179.7164.4-138.1-50.3000109.7H133 Y135 D137H133-N184 PolarHBondContact CE1-ND2 2.86Å; H133-N184 PolarHBondContact CE1-OD1 3.11Å; Y135-N184 WeakPolarHBondContact CD1-OD1 2.99Å; Y135-N184 PolarHBondContact O-ND2 3.19Å; D137-N184 PolarHBondContact OD1-ND2 2.93Å
185Q91.4Very high94.1Very high95 Ų9586.6 Ų86.644%0.44448%0.483SS..  trans-140.4154-179.273-168.116.100111.4Y135 K187Y135-Q185 HydrophobicContact CD1-CG 4.21Å; Y135-Q185 HydrophobicContact CE1-CB 4.37Å; Y135-Q185 HydrophobicContact CE1-CG 3.56Å; Y135-Q185 PolarHBondContact OH-OE1 2.77Å; Q185-K187 VanDerWaalsContact C-N 3.3Å; Q185-K187 PolarHBondContact NE2-O 3.02Å; Q185-K187 PolarHBondContact O-N 2.77Å
186D90.2Very high94.1Very high183 Ų18391.1 Ų91.198%0.97950%0.495SS*.  trans-72.3-22-178.1-63.7-15.6000113.9
187K78.2Confident94Very high239 Ų23995.5 Ų95.5100%1.03950%0.5SS*.  trans-83.60-175-174.9-174.1176.4-1740113.2Q185Q185-K187 VanDerWaalsContact C-N 3.3Å; Q185-K187 PolarHBondContact NE2-O 3.02Å; Q185-K187 PolarHBondContact O-N 2.77Å

Retrieved 187 of 187 residues in 31.9 ms (Link to these results)

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