A0A061I7Y7_CRIGR Loading...

RNA-binding protein 24

AlphaFold DB (D3Z4I3), UniProt , Accession A0A061I7Y7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Rbm24, Length 236 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
1M52.6Low77.9Confident236 Ų236119.1 Ų119.1100%1.16361%0.606SS**  099010.5-77.8-176.700108.5T3M1-T3 PolarHBondContact O-N 3.4Å
2H54.3Low79.4Confident191 Ų191114.4 Ų114.488%0.88458%0.578SS**  trans-77.7111.5168.9-66.6105.3000107T4H2-T4 PolarHBondContact O-N 3.12Å; H2-T4 VanDerWaalsContact O-N 3.11Å
3T57.7Low80.8Confident125 Ų125105.6 Ų105.677%0.76753%0.534SS*.  trans-69.4105.3165.3-169.60000106.4M1 Q5M1-T3 PolarHBondContact O-N 3.4Å; T3-Q5 VanDerWaalsContact C-N 3.34Å; T3-Q5 PolarHBondContact O-N 2.7Å
4T71.9Confident81.9Confident126 Ų126102.6 Ų102.677%0.77352%0.515SS*.  trans-63.9101.2171-61.40000106.2H2 K6H2-T4 PolarHBondContact O-N 3.12Å; H2-T4 VanDerWaalsContact O-N 3.11Å; T4-K6 PolarHBondContact O-N 3.38Å
5Q72.4Confident83Confident175 Ų17595.7 Ų95.782%0.81848%0.481SS*.  trans-61110.4171.8-75-139.757.800107.7T3 D7T3-Q5 VanDerWaalsContact C-N 3.34Å; T3-Q5 PolarHBondContact O-N 2.7Å; Q5-D7 PolarHBondContact O-N 2.97Å
6K83.4Confident83.8Confident121 Ų12190.2 Ų90.253%0.52646%0.455SS..  trans-64124.3174.4-176.8-175.8-72.2170.90108.1T4 T8 E38T4-K6 PolarHBondContact O-N 3.38Å; K6-T8 HydrophobicContact CD-CG2 4.47Å; K6-T8 HydrophobicContact CG-CG2 4.41Å; K6-T8 PolarHBondContact O-N 3.4Å; K6-T8 VanDerWaalsContact O-N 3.14Å; K6-E38 VanDerWaalsContact CD-OE2 3.29Å; K6-E38 WeakPolarHBondContact CD-OE2 3.42Å; K6-E38 IonicContact NZ-OE1 2.71Å; K6-E38 PolarHBondContact NZ-OE1 2.81Å; K6-E38 IonicContact NZ-OE2 2.75Å; K6-E38 PolarHBondContact NZ-OE2 3.43Å
7D88.6Confident84.6Confident110 Ų11087.1 Ų87.159%0.58845%0.452SS*.  trans-68.9110.5173.1-172.7-3.3000108.9Q5 T9Q5-D7 PolarHBondContact O-N 2.97Å; D7-T9 WeakPolarHBondContact OD1-CB 3.5Å; D7-T9 PolarHBondContact OD1-N 2.77Å; D7-T9 PolarHBondContact OD1-OG1 2.75Å
8T92.2Very high85.2Confident46 Ų4682.3 Ų82.328%0.28243%0.427SS..  trans-102.912.5179.653.90000112.3K6 Y10 T11 K12 T58K6-T8 HydrophobicContact CD-CG2 4.47Å; K6-T8 HydrophobicContact CG-CG2 4.41Å; K6-T8 PolarHBondContact O-N 3.4Å; K6-T8 VanDerWaalsContact O-N 3.14Å; T8-Y10 VanDerWaalsContact C-N 3.26Å; T8-Y10 PolarHBondContact O-N 2.94Å; T8-T11 WeakPolarHBondContact CA-OG1 3.47Å; T8-T11 PolarHBondContact O-N 2.89Å; T8-K12 WeakPolarHBondContact O-CB 3.15Å; T8-K12 PolarHBondContact O-N 3.15Å; T8-T58 HydrophobicContact CG2-CG2 3.75Å
9T92.7Very high85.8Confident56 Ų5678.2 Ų78.234%0.34441%0.406SS..THydrogen-bonded Turntrans-55.7-42-177.3-58.10000111.6D7 Y87D7-T9 WeakPolarHBondContact OD1-CB 3.5Å; D7-T9 PolarHBondContact OD1-N 2.77Å; D7-T9 PolarHBondContact OD1-OG1 2.75Å; T9-Y87 HydrophobicContact CG2-CD1 4.13Å; T9-Y87 HydrophobicContact CG2-CG 4.06Å; T9-Y87 VanDerWaalsContact O-CD1 3.26Å; T9-Y87 WeakPolarHBondContact O-CD1 3.4Å
10Y94.6Very high86.3Confident109 Ų10982.3 Ų82.343%0.42742%0.417SS..THydrogen-bonded Turntrans-102.5-1.7-177.6-56.9-74.7000114.6T8 A65 Y87T8-Y10 VanDerWaalsContact C-N 3.26Å; T8-Y10 PolarHBondContact O-N 2.94Å; Y10-A65 WeakPolarHBondContact O-CB 3.14Å; Y10-Y87 HydrophobicContact CD1-CE1 4.26Å; Y10-Y87 HydrophobicContact CE1-CE1 4.35Å
11T96.2Very high86.7Confident15 Ų1584.9 Ų84.99%0.09243%0.427CS..THydrogen-bonded Turntrans-109.6-17.6178.260.70000113T8 M59 R62T8-T11 WeakPolarHBondContact CA-OG1 3.47Å; T8-T11 PolarHBondContact O-N 2.89Å; T11-M59 VanDerWaalsContact CB-O 3.3Å; T11-M59 WeakPolarHBondContact CB-O 3.43Å; T11-M59 PolarHBondContact O-N 2.76Å; T11-R62 HydrophobicContact CG2-CB 4.4Å
12K96.6Very high88.7Confident63 Ų6373.9 Ų73.927%0.27437%0.373SS..EExtended strand (participates in β ladder)trans-87126178.6-166.5169.3-173.1155.30111.4T8 F56 V57 A86T8-K12 WeakPolarHBondContact O-CB 3.15Å; T8-K12 PolarHBondContact O-N 3.15Å; K12-F56 HydrophobicContact CG-CD1 4.49Å; K12-V57 CarbonylContact C-O 3.51Å; K12-V57 WeakPolarHBondContact CA-O 3.25Å; K12-A86 HydrophobicContact CB-CB 4.08Å; K12-A86 HydrophobicContact CD-CB 4.23Å; K12-A86 HydrophobicContact CG-CB 3.74Å; K12-A86 WeakPolarHBondContact O-CB 3.48Å; K12-A86 PolarHBondContact O-N 2.72Å
13I97.1Very high90.7Very high0 Ų068.2 Ų68.20%035%0.352CS..EExtended strand (participates in β ladder)trans-114.5131.7-176-53.1173.9000108.2V15 F31 F56 V57 M59 A65 A68 V83 N84I13-V15 HydrophobicContact CG2-CG2 4.22Å; I13-F31 HydrophobicContact CD1-CD1 4.47Å; I13-F31 HydrophobicContact CD1-CE1 4.45Å; I13-F56 VanDerWaalsContact O-CA 3.3Å; I13-F56 WeakPolarHBondContact O-CA 3.42Å; I13-V57 HydrophobicContact CB-CB 4.35Å; I13-V57 PolarHBondContact N-O 3.18Å; I13-V57 PolarHBondContact O-N 2.97Å; I13-M59 HydrophobicContact CD1-CG 3.63Å; I13-M59 HydrophobicContact CD1-SD 4.13Å; I13-M59 HydrophobicContact CG1-CG 4.44Å; I13-A65 HydrophobicContact CD1-CB 4.02Å; I13-A65 HydrophobicContact CG1-CB 4.1Å; I13-A68 HydrophobicContact CD1-CB 3.7Å; I13-V83 HydrophobicContact CG2-CG1 3.27Å; I13-N84 CarbonylContact C-O 3.58Å; I13-N84 WeakPolarHBondContact CA-O 3.44Å
14F97Very high92.5Very high63 Ų6366.9 Ų66.928%0.27634%0.34SS..EExtended strand (participates in β ladder)trans-86.9132.4166.4169.2-98.7000109.5Y54 F56 V83 N84 A86F14-Y54 AromaticContact CE2-CD2 3.95Å; F14-Y54 HydrophobicContact CE2-CD2 3.95Å; F14-Y54 HydrophobicContact CE2-CG 4.23Å; F14-F56 HydrophobicContact CB-CD1 4.42Å; F14-F56 HydrophobicContact CB-CE1 4.2Å; F14-F56 HydrophobicContact CD2-CD1 4.5Å; F14-F56 AromaticContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CZ 4.15Å; F14-V83 WeakPolarHBondContact O-CA 3.31Å; F14-N84 PolarHBondContact N-O 2.76Å; F14-N84 PolarHBondContact O-N 3.06Å; F14-A86 HydrophobicContact CB-CB 4.35Å
15V97.1Very high93.7Very high0 Ų063.7 Ų63.70%033%0.327CS..EExtended strand (participates in β ladder)trans-124.3108.7177-170.10000108.5I13 L18 F31 Y54 G55 V57 I76 A81 N82 V83I13-V15 HydrophobicContact CG2-CG2 4.22Å; V15-L18 HydrophobicContact CG1-CD1 4.24Å; V15-L18 HydrophobicContact CG1-CD2 3.65Å; V15-L18 HydrophobicContact CG1-CG 4.03Å; V15-F31 HydrophobicContact CB-CZ 4.5Å; V15-F31 HydrophobicContact CG1-CE2 4.21Å; V15-F31 HydrophobicContact CG1-CZ 4.22Å; V15-F31 HydrophobicContact CG2-CE1 4.4Å; V15-F31 HydrophobicContact CG2-CE2 3.65Å; V15-F31 HydrophobicContact CG2-CZ 3.45Å; V15-F31 VanDerWaalsContact CG2-CZ 3.45Å; V15-Y54 CarbonylContact O-C 3.56Å; V15-Y54 WeakPolarHBondContact O-CA 3.5Å; V15-Y54 WeakPolarHBondContact O-CB 3.32Å; V15-G55 PolarHBondContact N-O 3.45Å; V15-G55 PolarHBondContact O-N 2.81Å; V15-V57 HydrophobicContact CG2-CG2 4.01Å; V15-I76 HydrophobicContact CG1-CD1 3.92Å; V15-A81 HydrophobicContact CG1-CB 4.43Å; V15-N82 CarbonylContact C-O 3.53Å; V15-N82 WeakPolarHBondContact CA-O 3.31Å; V15-V83 HydrophobicContact CG1-CG2 4.25Å
16G96.9Very high94.8Very high7 Ų756.8 Ų56.87%0.07230%0.298CS..EExtended strand (participates in β ladder)trans-107.3163.7177.700000112.6L18 A81 N82G16-L18 VanDerWaalsContact C-N 3.34Å; G16-A81 CarbonylContact O-C 3.45Å; G16-A81 WeakPolarHBondContact O-CA 3.26Å; G16-A81 VanDerWaalsContact O-CB 3.3Å; G16-A81 WeakPolarHBondContact O-CB 3.37Å; G16-N82 PolarHBondContact N-O 2.8Å; G16-N82 PolarHBondContact O-N 3.41Å
17G96.4Very high95.3Very high38 Ų3851 Ų5139%0.39227%0.273SS..SBendtrans76.421.6176.300000114G53 R79G17-G53 PolarHBondContact N-O 3.06Å; G17-R79 WeakPolarHBondContact O-CD 3.33Å; G17-R79 WeakPolarHBondContact O-CG 3.12Å
18L96.6Very high95.7Very high0 Ų052.3 Ų52.30%027%0.269CS..  trans-69146.3176.6-63.2171.7000111V15 G16 T22 L27 V42 G53 I76 R79 A81V15-L18 HydrophobicContact CG1-CD1 4.24Å; V15-L18 HydrophobicContact CG1-CD2 3.65Å; V15-L18 HydrophobicContact CG1-CG 4.03Å; G16-L18 VanDerWaalsContact C-N 3.34Å; L18-T22 HydrophobicContact CD1-CG2 4.48Å; L18-T22 HydrophobicContact CD2-CG2 4.31Å; L18-L27 HydrophobicContact CD1-CD1 3.57Å; L18-V42 HydrophobicContact CD1-CG2 4.49Å; L18-G53 PolarHBondContact N-O 3.26Å; L18-I76 HydrophobicContact CD2-CB 4.25Å; L18-I76 HydrophobicContact CD2-CD1 3.9Å; L18-I76 HydrophobicContact CD2-CG2 4.11Å; L18-R79 PolarHBondContact O-NH1 3.41Å; L18-A81 HydrophobicContact CD2-CB 4.49Å
19P96Very high95.9Very high5 Ų558 Ų583%0.03229%0.29CS..  trans-56.7147.5164.2-2838.2000112.3H21 T22 D77 R79P19-H21 WeakPolarHBondContact CB-CE1 3.43Å; P19-H21 PolarHBondContact O-N 2.79Å; P19-H21 VanDerWaalsContact O-N 3.16Å; P19-T22 VanDerWaalsContact CD-OG1 3.31Å; P19-T22 WeakPolarHBondContact CD-OG1 3.5Å; P19-T22 WeakPolarHBondContact O-CB 3.33Å; P19-T22 PolarHBondContact O-N 3.05Å; P19-T22 VanDerWaalsContact O-N 3.09Å; P19-T22 PolarHBondContact O-OG1 2.99Å; P19-D77 HydrophobicContact CG-CB 3.91Å; P19-R79 HydrophobicContact CG-CB 3.53Å; P19-R79 HydrophobicContact CG-CG 4.44Å
20Y95.9Very high96Very high160 Ų16058.9 Ų58.963%0.62729%0.288SS*.THydrogen-bonded Turntrans-69-13-179.2-59.1-43.5000113.9S51Y20-S51 WeakPolarHBondContact CD1-O 3.3Å; Y20-S51 WeakPolarHBondContact O-CB 3.49Å
21H94.6Very high96.1Very high136 Ų13653.7 Ų53.763%0.6327%0.267SS*.THydrogen-bonded Turntrans-95-4.1175.663-99.9000113.2P19 T23P19-H21 WeakPolarHBondContact CB-CE1 3.43Å; P19-H21 PolarHBondContact O-N 2.79Å; P19-H21 VanDerWaalsContact O-N 3.16Å; H21-T23 PolarHBondContact O-N 3.29Å
22T95.4Very high96.1Very high6 Ų658.5 Ų58.54%0.03729%0.289CS..  trans-66.9127.6176.5-62.40000109.7L18 P19 S26 L27 V42 D77L18-T22 HydrophobicContact CD1-CG2 4.48Å; L18-T22 HydrophobicContact CD2-CG2 4.31Å; P19-T22 VanDerWaalsContact CD-OG1 3.31Å; P19-T22 WeakPolarHBondContact CD-OG1 3.5Å; P19-T22 WeakPolarHBondContact O-CB 3.33Å; P19-T22 PolarHBondContact O-N 3.05Å; P19-T22 VanDerWaalsContact O-N 3.09Å; P19-T22 PolarHBondContact O-OG1 2.99Å; T22-S26 WeakPolarHBondContact CG2-OG 3.36Å; T22-L27 HydrophobicContact CG2-CB 4.14Å; T22-V42 HydrophobicContact CG2-CG2 4.45Å; T22-D77 WeakPolarHBondContact CB-OD2 3.48Å; T22-D77 WeakPolarHBondContact CG2-OD2 3.28Å; T22-D77 PolarHBondContact OG1-OD2 3.22Å
23T95.8Very high96.1Very high71 Ų7161 Ų6144%0.43631%0.309SS..  trans-98.5165.5175.862.70000111.1H21 A25 S26 L27H21-T23 PolarHBondContact O-N 3.29Å; T23-A25 PolarHBondContact O-N 3.11Å; T23-S26 PolarHBondContact N-OG 3.3Å; T23-S26 PolarHBondContact O-N 2.59Å; T23-S26 PolarHBondContact O-OG 2.93Å; T23-S26 PolarHBondContact OG1-N 3.14Å; T23-S26 PolarHBondContact OG1-OG 3.38Å; T23-L27 WeakPolarHBondContact O-CB 3.42Å; T23-L27 PolarHBondContact O-N 2.99Å
24D96.1Very high96Very high97 Ų9762.9 Ų62.952%0.51932%0.317SS..Hα-helixtrans-52.9-41.1169.850.6-79.9000111.7L27 R28D24-L27 PolarHBondContact O-N 3.02Å; D24-R28 WeakPolarHBondContact O-CB 3.22Å; D24-R28 PolarHBondContact O-N 2.93Å
25A96.1Very high96Very high59 Ų5960.8 Ų60.849%0.48831%0.313SS..Hα-helixtrans-64.2-45.817800000113.4T23 L27 R28 K29T23-A25 PolarHBondContact O-N 3.11Å; A25-L27 VanDerWaalsContact C-N 3.32Å; A25-L27 PolarHBondContact O-N 2.9Å; A25-R28 PolarHBondContact O-N 2.77Å; A25-K29 WeakPolarHBondContact O-CB 3.17Å; A25-K29 PolarHBondContact O-N 2.77Å
26S94.7Very high95.9Very high30 Ų3066.2 Ų66.221%0.2134%0.342CS..Hα-helixtrans-63.8-40.9176.843.50000111.7T22 T23 K29 Y30T22-S26 WeakPolarHBondContact CG2-OG 3.36Å; T23-S26 PolarHBondContact N-OG 3.3Å; T23-S26 PolarHBondContact O-N 2.59Å; T23-S26 PolarHBondContact O-OG 2.93Å; T23-S26 PolarHBondContact OG1-N 3.14Å; T23-S26 PolarHBondContact OG1-OG 3.38Å; S26-K29 PolarHBondContact O-N 2.99Å; S26-Y30 PolarHBondContact O-N 3.32Å; S26-Y30 VanDerWaalsContact O-N 3.08Å
27L95.9Very high95.9Very high0 Ų066.8 Ų66.80%034%0.344CS..Hα-helixtrans-67.3-43.3178.7176.3159.1000110.4L18 T22 T23 D24 A25 K29 Y30 F31 A40 V42 V57L18-L27 HydrophobicContact CD1-CD1 3.57Å; T22-L27 HydrophobicContact CG2-CB 4.14Å; T23-L27 WeakPolarHBondContact O-CB 3.42Å; T23-L27 PolarHBondContact O-N 2.99Å; D24-L27 PolarHBondContact O-N 3.02Å; A25-L27 VanDerWaalsContact C-N 3.32Å; A25-L27 PolarHBondContact O-N 2.9Å; L27-K29 PolarHBondContact O-N 3.28Å; L27-Y30 PolarHBondContact O-N 3.24Å; L27-F31 HydrophobicContact CD2-CD2 4.28Å; L27-F31 HydrophobicContact CG-CD2 4.32Å; L27-F31 HydrophobicContact CG-CE2 4.34Å; L27-F31 WeakPolarHBondContact O-CD2 3.38Å; L27-F31 PolarHBondContact O-N 3.14Å; L27-A40 HydrophobicContact CD2-CB 3.74Å; L27-V42 HydrophobicContact CB-CG2 4.31Å; L27-V42 HydrophobicContact CD1-CG2 3.83Å; L27-V57 HydrophobicContact CD2-CG2 3.22Å; L27-V57 HydrophobicContact CG-CG2 4.15Å
28R96.5Very high95.9Very high137 Ų13769.4 Ų69.452%0.51735%0.346SS..Hα-helixtrans-57.4-49.9173.3-172.5-178.9-176.4167.73.8111.6D24 A25 Y30 F31 E32 I37 A40D24-R28 WeakPolarHBondContact O-CB 3.22Å; D24-R28 PolarHBondContact O-N 2.93Å; A25-R28 PolarHBondContact O-N 2.77Å; R28-Y30 PolarHBondContact O-N 3.34Å; R28-F31 PolarHBondContact O-N 2.83Å; R28-F31 VanDerWaalsContact O-N 3.1Å; R28-E32 WeakPolarHBondContact O-CB 3.45Å; R28-E32 PolarHBondContact O-N 3Å; R28-I37 HydrophobicContact CB-CD1 4.29Å; R28-I37 HydrophobicContact CG-CB 4.44Å; R28-I37 HydrophobicContact CG-CD1 3.57Å; R28-I37 HydrophobicContact CG-CG2 4.38Å; R28-I37 WeakPolarHBondContact O-CD1 3.42Å; R28-A40 HydrophobicContact CB-CB 3.85Å; R28-A40 HydrophobicContact CG-CB 4.26Å
29K96.1Very high95.9Very high165 Ų16574.3 Ų74.372%0.71737%0.368SS*.Hα-helixtrans-57.5-36.1179.9-174.1178.4-179.5-179.70112.5A25 S26 L27A25-K29 WeakPolarHBondContact O-CB 3.17Å; A25-K29 PolarHBondContact O-N 2.77Å; S26-K29 PolarHBondContact O-N 2.99Å; L27-K29 PolarHBondContact O-N 3.28Å
30Y95.4Very high95.9Very high75 Ų7574.9 Ų74.929%0.29437%0.373SS..Hα-helixtrans-67.2-43.8176.7-175.4-95.2000112.3S26 L27 R28 V33 F34 P74 I76S26-Y30 PolarHBondContact O-N 3.32Å; S26-Y30 VanDerWaalsContact O-N 3.08Å; L27-Y30 PolarHBondContact O-N 3.24Å; R28-Y30 PolarHBondContact O-N 3.34Å; Y30-V33 VanDerWaalsContact O-CG1 3.27Å; Y30-V33 WeakPolarHBondContact O-CG1 3.07Å; Y30-F34 HydrophobicContact CD1-CE2 4.46Å; Y30-F34 HydrophobicContact CE1-CE2 4.03Å; Y30-P74 HydrophobicContact CE1-CB 3.99Å; Y30-P74 HydrophobicContact CE1-CG 4.35Å; Y30-P74 WeakPolarHBondContact OH-CB 3.02Å; Y30-I76 HydrophobicContact CD1-CD1 3.78Å; Y30-I76 HydrophobicContact CD1-CG1 3.88Å; Y30-I76 HydrophobicContact CD2-CG1 4.14Å; Y30-I76 HydrophobicContact CE1-CD1 3.96Å; Y30-I76 HydrophobicContact CE1-CG1 3.87Å; Y30-I76 HydrophobicContact CE2-CG1 4.14Å; Y30-I76 HydrophobicContact CG-CD1 4.27Å; Y30-I76 HydrophobicContact CG-CG1 4.03Å
31F96.1Very high96Very high0 Ų069.5 Ų69.50%036%0.357CS..Hα-helixtrans-83-17.4-175.8-77.2-86000114.2I13 V15 L27 R28 V33 F34 I37 V57 M59 A68 I76 V83I13-F31 HydrophobicContact CD1-CD1 4.47Å; I13-F31 HydrophobicContact CD1-CE1 4.45Å; V15-F31 HydrophobicContact CB-CZ 4.5Å; V15-F31 HydrophobicContact CG1-CE2 4.21Å; V15-F31 HydrophobicContact CG1-CZ 4.22Å; V15-F31 HydrophobicContact CG2-CE1 4.4Å; V15-F31 HydrophobicContact CG2-CE2 3.65Å; V15-F31 HydrophobicContact CG2-CZ 3.45Å; V15-F31 VanDerWaalsContact CG2-CZ 3.45Å; L27-F31 HydrophobicContact CD2-CD2 4.28Å; L27-F31 HydrophobicContact CG-CD2 4.32Å; L27-F31 HydrophobicContact CG-CE2 4.34Å; L27-F31 WeakPolarHBondContact O-CD2 3.38Å; L27-F31 PolarHBondContact O-N 3.14Å; R28-F31 PolarHBondContact O-N 2.83Å; R28-F31 VanDerWaalsContact O-N 3.1Å; F31-V33 PolarHBondContact O-N 2.82Å; F31-F34 HydrophobicContact CD1-CD2 4.01Å; F31-F34 HydrophobicContact CD1-CE2 4.24Å; F31-F34 PolarHBondContact O-N 2.77Å; F31-I37 HydrophobicContact CB-CD1 3.73Å; F31-I37 HydrophobicContact CB-CG1 4.42Å; F31-V57 HydrophobicContact CB-CG1 4.09Å; F31-V57 HydrophobicContact CD2-CG2 3.71Å; F31-V57 HydrophobicContact CE2-CG2 3.95Å; F31-V57 HydrophobicContact CG-CG1 4.17Å; F31-V57 HydrophobicContact CG-CG2 4.1Å; F31-M59 HydrophobicContact CB-SD 4.41Å; F31-A68 HydrophobicContact CD1-CB 3.86Å; F31-A68 HydrophobicContact CE1-CB 3.97Å; F31-I76 HydrophobicContact CE2-CD1 4.07Å; F31-I76 HydrophobicContact CZ-CD1 4.4Å; F31-V83 HydrophobicContact CE1-CG1 4.25Å; F31-V83 HydrophobicContact CE1-CG2 4.49Å; F31-V83 HydrophobicContact CZ-CG1 4.4Å; F31-V83 HydrophobicContact CZ-CG2 4Å
32E96.2Very high96.1Very high117 Ų11764.1 Ų64.155%0.54733%0.334SS..G310 helixtrans-61-27.9-178.8-174.4176.817900112.3R28 F34 G35 I37R28-E32 WeakPolarHBondContact O-CB 3.45Å; R28-E32 PolarHBondContact O-N 3Å; E32-F34 PolarHBondContact O-N 3.04Å; E32-G35 PolarHBondContact O-N 3.36Å; E32-G35 VanDerWaalsContact O-N 3.14Å; E32-I37 HydrophobicContact CB-CD1 4.15Å
33V95.7Very high96.1Very high115 Ų11566 Ų6670%0.69734%0.344SS*.G310 helixtrans-62-25.8175.173.40000113.2Y30 F31Y30-V33 VanDerWaalsContact O-CG1 3.27Å; Y30-V33 WeakPolarHBondContact O-CG1 3.07Å; F31-V33 PolarHBondContact O-N 2.82Å
34F95.7Very high96.2Very high40 Ų4066.3 Ų66.318%0.17535%0.345CS..G310 helixtrans-89-11.4179.8-55.6-70.1000112.9Y30 F31 E32 M59 A64 R67 A68Y30-F34 HydrophobicContact CD1-CE2 4.46Å; Y30-F34 HydrophobicContact CE1-CE2 4.03Å; F31-F34 HydrophobicContact CD1-CD2 4.01Å; F31-F34 HydrophobicContact CD1-CE2 4.24Å; F31-F34 PolarHBondContact O-N 2.77Å; E32-F34 PolarHBondContact O-N 3.04Å; F34-M59 HydrophobicContact CB-CE 4.4Å; F34-A64 VanDerWaalsContact O-CB 3.28Å; F34-A64 WeakPolarHBondContact O-CB 3.35Å; F34-R67 HydrophobicContact CB-CB 4.46Å; F34-R67 HydrophobicContact CD1-CB 4.24Å; F34-R67 VanDerWaalsContact O-CZ 3.22Å; F34-R67 PolarHBondContact O-NE 2.86Å; F34-R67 VanDerWaalsContact O-NE 3.16Å; F34-R67 PolarHBondContact O-NH2 3.2Å; F34-A68 HydrophobicContact CB-CB 4.16Å; F34-A68 HydrophobicContact CD2-CB 3.77Å; F34-A68 HydrophobicContact CE2-CB 4.3Å; F34-A68 HydrophobicContact CG-CB 3.91Å
35G95.9Very high96.1Very high18 Ų1864.3 Ų64.319%0.18633%0.334CS..SBendtrans144.5-176.8-179.500000112.8E32 M59E32-G35 PolarHBondContact O-N 3.36Å; E32-G35 VanDerWaalsContact O-N 3.14Å; G35-M59 WeakPolarHBondContact O-CE 3.35Å
36D96.8Very high96.1Very high115 Ų11573.1 Ų73.162%0.61536%0.355SS*.  trans-67.5139.4-178.2-66.1-56.3000112.3A60D36-A60 HydrophobicContact CB-CB 3.87Å; D36-A60 WeakPolarHBondContact O-CB 3.42Å; D36-A60 PolarHBondContact O-N 3.46Å
37I96.8Very high96.1Very high19 Ų1980.5 Ų80.510%0.09739%0.386CS..EExtended strand (participates in β ladder)trans-106.9125.6-178.6-62.4169.9000109.4R28 F31 E32 A40 V57 M59R28-I37 HydrophobicContact CB-CD1 4.29Å; R28-I37 HydrophobicContact CG-CB 4.44Å; R28-I37 HydrophobicContact CG-CD1 3.57Å; R28-I37 HydrophobicContact CG-CG2 4.38Å; R28-I37 WeakPolarHBondContact O-CD1 3.42Å; F31-I37 HydrophobicContact CB-CD1 3.73Å; F31-I37 HydrophobicContact CB-CG1 4.42Å; E32-I37 HydrophobicContact CB-CD1 4.15Å; I37-A40 HydrophobicContact CG2-CB 4.02Å; I37-V57 HydrophobicContact CG1-CG1 4.4Å; I37-V57 HydrophobicContact CG2-CG1 4.11Å; I37-M59 HydrophobicContact CG1-CE 4.01Å; I37-M59 HydrophobicContact CG1-SD 4.02Å
38E96.1Very high96.1Very high93 Ų9384.3 Ų84.344%0.43541%0.41SS..EExtended strand (participates in β ladder)trans-80.2-45.7172.5179.7170.1-173.400111.4K6 T58K6-E38 VanDerWaalsContact CD-OE2 3.29Å; K6-E38 WeakPolarHBondContact CD-OE2 3.42Å; K6-E38 IonicContact NZ-OE1 2.71Å; K6-E38 PolarHBondContact NZ-OE1 2.81Å; K6-E38 IonicContact NZ-OE2 2.75Å; K6-E38 PolarHBondContact NZ-OE2 3.43Å; E38-T58 HydrophobicContact CB-CG2 4.17Å; E38-T58 WeakPolarHBondContact CB-O 3.37Å; E38-T58 HydrophobicContact CG-CG2 4.49Å; E38-T58 PolarHBondContact N-O 3.22Å
39E96Very high96Very high102 Ų10280.4 Ų80.448%0.47741%0.412SS..EExtended strand (participates in β ladder)trans-149.6138.8-179.1-173.3179.6-14100110.8V41 V57 T58E39-V41 HydrophobicContact CG-CG1 4Å; E39-V57 CarbonylContact O-C 3.58Å; E39-V57 WeakPolarHBondContact O-CA 3.48Å; E39-T58 PolarHBondContact N-O 2.99Å; E39-T58 PolarHBondContact O-N 3.44Å
40A97Very high95.9Very high17 Ų1779.7 Ų79.714%0.1441%0.408CS..EExtended strand (participates in β ladder)trans-136.6117175.900000108.8L27 R28 I37L27-A40 HydrophobicContact CD2-CB 3.74Å; R28-A40 HydrophobicContact CB-CB 3.85Å; R28-A40 HydrophobicContact CG-CB 4.26Å; I37-A40 HydrophobicContact CG2-CB 4.02Å
41V96.9Very high95.9Very high48 Ų4876.8 Ų76.829%0.29140%0.399SS..EExtended strand (participates in β ladder)trans-135.3128.1-175.3-680000111.5E39 I43 G55 F56E39-V41 HydrophobicContact CG-CG1 4Å; V41-I43 HydrophobicContact CG2-CD1 4.36Å; V41-G55 CarbonylContact O-C 3.47Å; V41-G55 WeakPolarHBondContact O-CA 3.25Å; V41-F56 HydrophobicContact CG2-CB 4.05Å; V41-F56 PolarHBondContact N-O 3.14Å; V41-F56 PolarHBondContact O-N 2.91Å
42V97.1Very high95.9Very high22 Ų2284 Ų8413%0.13343%0.426CS..EExtended strand (participates in β ladder)trans-91.9129.3168177.20000108.1L18 T22 L27 T44 S51L18-V42 HydrophobicContact CD1-CG2 4.49Å; T22-V42 HydrophobicContact CG2-CG2 4.45Å; L27-V42 HydrophobicContact CB-CG2 4.31Å; L27-V42 HydrophobicContact CD1-CG2 3.83Å; V42-T44 PolarHBondContact O-N 2.71Å; V42-S51 WeakPolarHBondContact CG1-OG 3.3Å
43I96.3Very high95.9Very high47 Ų4778.8 Ų78.824%0.24140%0.404CS..EExtended strand (participates in β ladder)trans-83.9119.7-179.7-54.2-54.2000109.5V41 R52 Y54 F56V41-I43 HydrophobicContact CG2-CD1 4.36Å; I43-R52 WeakPolarHBondContact O-CB 3.44Å; I43-R52 PolarHBondContact O-N 2.76Å; I43-Y54 HydrophobicContact CB-CD2 4.13Å; I43-Y54 HydrophobicContact CB-CE1 4.34Å; I43-Y54 HydrophobicContact CB-CE2 3.65Å; I43-Y54 HydrophobicContact CG1-CD2 3.94Å; I43-Y54 HydrophobicContact CG1-CE2 3.48Å; I43-Y54 VanDerWaalsContact CG1-CE2 3.48Å; I43-Y54 HydrophobicContact CG2-CE1 4.4Å; I43-Y54 HydrophobicContact CG2-CE2 4.04Å; I43-Y54 WeakPolarHBondContact CG2-OH 3.3Å; I43-Y54 PolarHBondContact N-O 3.21Å; I43-F56 HydrophobicContact CD1-CD2 4.15Å; I43-F56 HydrophobicContact CD1-CE2 4.44Å; I43-F56 HydrophobicContact CG1-CD2 4.06Å; I43-F56 HydrophobicContact CG1-CE2 4.09Å
44T96Very high95.9Very high77 Ų7775.9 Ų75.947%0.47238%0.381SS..EExtended strand (participates in β ladder)trans-102.7154.9174.657.20000110.8V42 K50V42-T44 PolarHBondContact O-N 2.71Å; T44-K50 CarbonylContact C-O 3.57Å; T44-K50 VanDerWaalsContact CA-O 3.25Å; T44-K50 WeakPolarHBondContact CA-O 3.18Å; T44-K50 WeakPolarHBondContact CB-O 3.38Å
45D95.9Very high96Very high54 Ų5474 Ų7429%0.28937%0.373SS..PPolyproline II helixtrans-74.4128.5169.9172.415.7000109.5Q47 T48 G49 K50 R52D45-Q47 VanDerWaalsContact C-N 3.27Å; D45-Q47 PolarHBondContact O-N 2.97Å; D45-Q47 PolarHBondContact OD1-N 2.8Å; D45-T48 WeakPolarHBondContact CB-OG1 3.29Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.3Å; D45-T48 PolarHBondContact OD2-OG1 2.82Å; D45-G49 VanDerWaalsContact O-CA 3.22Å; D45-G49 WeakPolarHBondContact O-CA 3.32Å; D45-G49 PolarHBondContact O-N 2.98Å; D45-K50 PolarHBondContact N-O 3.02Å; D45-R52 HydrophobicContact CB-CG 4.23Å
46R95Very high96Very high245 Ų24575.6 Ų75.693%0.92538%0.375SS*.THydrogen-bonded Turntrans-66.7-27.6-177.4-172.3179-66.4172.2-1.1112.7
47Q95.8Very high96.1Very high185 Ų18570.1 Ų70.186%0.86435%0.346SS*.THydrogen-bonded Turntrans-82-44.9-178.9-67.6-173.1-20.300112D45D45-Q47 VanDerWaalsContact C-N 3.27Å; D45-Q47 PolarHBondContact O-N 2.97Å; D45-Q47 PolarHBondContact OD1-N 2.8Å
48T95.2Very high96.1Very high80 Ų8069.4 Ų69.449%0.49134%0.342SS..THydrogen-bonded Turntrans-97.1-16.2-174.262.20000114.1D45 K50D45-T48 WeakPolarHBondContact CB-OG1 3.29Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.3Å; D45-T48 PolarHBondContact OD2-OG1 2.82Å; T48-K50 PolarHBondContact O-N 2.74Å; T48-K50 PolarHBondContact OG1-N 2.73Å
49G93.9Very high96.1Very high54 Ų5465 Ų6556%0.55732%0.322SS*.  trans70.20.2-172.100000114.3D45D45-G49 VanDerWaalsContact O-CA 3.22Å; D45-G49 WeakPolarHBondContact O-CA 3.32Å; D45-G49 PolarHBondContact O-N 2.98Å
50K94.3Very high96.1Very high150 Ų15062.4 Ų62.465%0.65232%0.318SS*.  trans-81147.9-176.8-63.3-177.2179.8-176.20111.1T44 D45 T48 R52T44-K50 CarbonylContact C-O 3.57Å; T44-K50 VanDerWaalsContact CA-O 3.25Å; T44-K50 WeakPolarHBondContact CA-O 3.18Å; T44-K50 WeakPolarHBondContact CB-O 3.38Å; D45-K50 PolarHBondContact N-O 3.02Å; T48-K50 PolarHBondContact O-N 2.74Å; T48-K50 PolarHBondContact OG1-N 2.73Å; K50-R52 PolarHBondContact O-N 2.75Å
51S95.4Very high96.1Very high15 Ų1566 Ų6611%0.10534%0.335CS..EExtended strand (participates in β ladder)trans-60.8134.3172.5176.50000111Y20 V42 G53Y20-S51 WeakPolarHBondContact CD1-O 3.3Å; Y20-S51 WeakPolarHBondContact O-CB 3.49Å; V42-S51 WeakPolarHBondContact CG1-OG 3.3Å; S51-G53 PolarHBondContact O-N 2.95Å; S51-G53 PolarHBondContact OG-N 2.81Å; S51-G53 VanDerWaalsContact OG-N 3.14Å
52R95.8Very high96Very high150 Ų15070.2 Ų70.257%0.56635%0.345SS*.EExtended strand (participates in β ladder)trans-78.1-0.6173-61.1-173.468.8-176.6-0.8112.6I43 D45 K50 Y54I43-R52 WeakPolarHBondContact O-CB 3.44Å; I43-R52 PolarHBondContact O-N 2.76Å; D45-R52 HydrophobicContact CB-CG 4.23Å; K50-R52 PolarHBondContact O-N 2.75Å; R52-Y54 VanDerWaalsContact C-N 3.34Å; R52-Y54 HydrophobicContact CB-CD1 3.62Å; R52-Y54 HydrophobicContact CB-CE1 3.38Å; R52-Y54 HydrophobicContact CG-CE1 4.18Å; R52-Y54 PolarHBondContact NH1-OH 2.9Å
53G95.8Very high95.9Very high8 Ų872 Ų728%0.08236%0.362CS..EExtended strand (participates in β ladder)trans76.819.7-179.200000113.9G17 L18 S51G17-G53 PolarHBondContact N-O 3.06Å; L18-G53 PolarHBondContact N-O 3.26Å; S51-G53 PolarHBondContact O-N 2.95Å; S51-G53 PolarHBondContact OG-N 2.81Å; S51-G53 VanDerWaalsContact OG-N 3.14Å
54Y96.9Very high95.9Very high55 Ų5569.7 Ų69.722%0.21635%0.351CS..EExtended strand (participates in β ladder)trans-145.3158.9172.173.1-87.7000111.5F14 V15 I43 R52 F56F14-Y54 AromaticContact CE2-CD2 3.95Å; F14-Y54 HydrophobicContact CE2-CD2 3.95Å; F14-Y54 HydrophobicContact CE2-CG 4.23Å; V15-Y54 CarbonylContact O-C 3.56Å; V15-Y54 WeakPolarHBondContact O-CA 3.5Å; V15-Y54 WeakPolarHBondContact O-CB 3.32Å; I43-Y54 HydrophobicContact CB-CD2 4.13Å; I43-Y54 HydrophobicContact CB-CE1 4.34Å; I43-Y54 HydrophobicContact CB-CE2 3.65Å; I43-Y54 HydrophobicContact CG1-CD2 3.94Å; I43-Y54 HydrophobicContact CG1-CE2 3.48Å; I43-Y54 VanDerWaalsContact CG1-CE2 3.48Å; I43-Y54 HydrophobicContact CG2-CE1 4.4Å; I43-Y54 HydrophobicContact CG2-CE2 4.04Å; I43-Y54 WeakPolarHBondContact CG2-OH 3.3Å; I43-Y54 PolarHBondContact N-O 3.21Å; R52-Y54 VanDerWaalsContact C-N 3.34Å; R52-Y54 HydrophobicContact CB-CD1 3.62Å; R52-Y54 HydrophobicContact CB-CE1 3.38Å; R52-Y54 HydrophobicContact CG-CE1 4.18Å; R52-Y54 PolarHBondContact NH1-OH 2.9Å; Y54-F56 HydrophobicContact CD2-CE2 4.29Å; Y54-F56 HydrophobicContact CE2-CE2 4.02Å
55G97Very high95.9Very high0 Ų066 Ų660%033%0.328CS..EExtended strand (participates in β ladder)trans-151.6177.4-178.900000112.3V15 V41V15-G55 PolarHBondContact N-O 3.45Å; V15-G55 PolarHBondContact O-N 2.81Å; V41-G55 CarbonylContact O-C 3.47Å; V41-G55 WeakPolarHBondContact O-CA 3.25Å
56F97.3Very high95.9Very high52 Ų5268 Ų6823%0.22834%0.335CS..EExtended strand (participates in β ladder)trans-128.8141.4174.2-64.7-81.5000110.4K12 I13 F14 V41 I43 Y54 A86K12-F56 HydrophobicContact CG-CD1 4.49Å; I13-F56 VanDerWaalsContact O-CA 3.3Å; I13-F56 WeakPolarHBondContact O-CA 3.42Å; F14-F56 HydrophobicContact CB-CD1 4.42Å; F14-F56 HydrophobicContact CB-CE1 4.2Å; F14-F56 HydrophobicContact CD2-CD1 4.5Å; F14-F56 AromaticContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CE1 3.86Å; F14-F56 HydrophobicContact CD2-CZ 4.15Å; V41-F56 HydrophobicContact CG2-CB 4.05Å; V41-F56 PolarHBondContact N-O 3.14Å; V41-F56 PolarHBondContact O-N 2.91Å; I43-F56 HydrophobicContact CD1-CD2 4.15Å; I43-F56 HydrophobicContact CD1-CE2 4.44Å; I43-F56 HydrophobicContact CG1-CD2 4.06Å; I43-F56 HydrophobicContact CG1-CE2 4.09Å; Y54-F56 HydrophobicContact CD2-CE2 4.29Å; Y54-F56 HydrophobicContact CE2-CE2 4.02Å; F56-A86 HydrophobicContact CD1-CB 4.18Å; F56-A86 HydrophobicContact CE1-CB 4.18Å
57V97.5Very high96Very high0 Ų063 Ų630%032%0.317CS..EExtended strand (participates in β ladder)trans-124.5126.6173.8-173.30000108.4K12 I13 V15 L27 F31 I37 E39 M59K12-V57 CarbonylContact C-O 3.51Å; K12-V57 WeakPolarHBondContact CA-O 3.25Å; I13-V57 HydrophobicContact CB-CB 4.35Å; I13-V57 PolarHBondContact N-O 3.18Å; I13-V57 PolarHBondContact O-N 2.97Å; V15-V57 HydrophobicContact CG2-CG2 4.01Å; L27-V57 HydrophobicContact CD2-CG2 3.22Å; L27-V57 HydrophobicContact CG-CG2 4.15Å; F31-V57 HydrophobicContact CB-CG1 4.09Å; F31-V57 HydrophobicContact CD2-CG2 3.71Å; F31-V57 HydrophobicContact CE2-CG2 3.95Å; F31-V57 HydrophobicContact CG-CG1 4.17Å; F31-V57 HydrophobicContact CG-CG2 4.1Å; I37-V57 HydrophobicContact CG1-CG1 4.4Å; I37-V57 HydrophobicContact CG2-CG1 4.11Å; E39-V57 CarbonylContact O-C 3.58Å; E39-V57 WeakPolarHBondContact O-CA 3.48Å; V57-M59 HydrophobicContact CG1-SD 3.57Å; V57-M59 VanDerWaalsContact CG1-SD 3.57Å
58T96.8Very high96Very high4 Ų454.4 Ų54.43%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-105.3112.5171.9-51.80000107.3T8 E38 E39T8-T58 HydrophobicContact CG2-CG2 3.75Å; E38-T58 HydrophobicContact CB-CG2 4.17Å; E38-T58 WeakPolarHBondContact CB-O 3.37Å; E38-T58 HydrophobicContact CG-CG2 4.49Å; E38-T58 PolarHBondContact N-O 3.22Å; E39-T58 PolarHBondContact N-O 2.99Å; E39-T58 PolarHBondContact O-N 3.44Å
59M97.3Very high96Very high0 Ų052 Ų520%026%0.264CS..EExtended strand (participates in β ladder)trans-79151.6174.7-54.3-55.1-67.900110.3T11 I13 F31 F34 G35 I37 V57 D61 A64 A65T11-M59 VanDerWaalsContact CB-O 3.3Å; T11-M59 WeakPolarHBondContact CB-O 3.43Å; T11-M59 PolarHBondContact O-N 2.76Å; I13-M59 HydrophobicContact CD1-CG 3.63Å; I13-M59 HydrophobicContact CD1-SD 4.13Å; I13-M59 HydrophobicContact CG1-CG 4.44Å; F31-M59 HydrophobicContact CB-SD 4.41Å; F34-M59 HydrophobicContact CB-CE 4.4Å; G35-M59 WeakPolarHBondContact O-CE 3.35Å; I37-M59 HydrophobicContact CG1-CE 4.01Å; I37-M59 HydrophobicContact CG1-SD 4.02Å; V57-M59 HydrophobicContact CG1-SD 3.57Å; V57-M59 VanDerWaalsContact CG1-SD 3.57Å; M59-D61 VanDerWaalsContact C-N 3.35Å; M59-A64 HydrophobicContact CB-CB 4.15Å; M59-A64 HydrophobicContact CE-CB 3.79Å; M59-A64 HydrophobicContact CG-CB 4.42Å; M59-A65 HydrophobicContact CB-CB 4.16Å; M59-A65 HydrophobicContact CG-CB 3.87Å
60A95.8Very high96Very high48 Ų4857.6 Ų57.640%0.39727%0.272SS..SBendtrans-67-39.917300000111.4D36D36-A60 HydrophobicContact CB-CB 3.87Å; D36-A60 WeakPolarHBondContact O-CB 3.42Å; D36-A60 PolarHBondContact O-N 3.46Å
61D95.4Very high96Very high92 Ų9255.4 Ų55.449%0.49227%0.268SS..SBendtrans-110.9143.3-178.5-67.5-60.9000112.7M59 A63 A64 A65M59-D61 VanDerWaalsContact C-N 3.35Å; D61-A63 VanDerWaalsContact C-N 3.31Å; D61-A63 PolarHBondContact O-N 3.44Å; D61-A64 HydrophobicContact CB-CB 4.12Å; D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 3.34Å; D61-A65 PolarHBondContact O-N 3.34Å
62R95.2Very high95.9Very high136 Ų13657.5 Ų57.551%0.51328%0.281SS..Hα-helixtrans-60.7-40.9170.7176.2179.2165.8175.2-2.1111.9T11 A64 A65 E66T11-R62 HydrophobicContact CG2-CB 4.4Å; R62-A64 VanDerWaalsContact C-N 3.27Å; R62-A64 PolarHBondContact O-N 3.37Å; R62-A65 PolarHBondContact O-N 3.44Å; R62-A65 VanDerWaalsContact O-N 3.12Å; R62-E66 HydrophobicContact CG-CG 4.48Å; R62-E66 IonicContact CZ-OE1 3.33Å; R62-E66 IonicContact NE-OE1 2.77Å; R62-E66 PolarHBondContact NE-OE1 3.01Å; R62-E66 IonicContact NH2-OE1 3Å; R62-E66 PolarHBondContact NH2-OE1 2.96Å; R62-E66 PolarHBondContact O-N 3.36Å
63A96Very high95.9Very high59 Ų5954.4 Ų54.449%0.48828%0.276SS..Hα-helixtrans-62-36.5178.600000111.9D61 E66 R67D61-A63 VanDerWaalsContact C-N 3.31Å; D61-A63 PolarHBondContact O-N 3.44Å; A63-E66 PolarHBondContact O-N 3.12Å; A63-R67 WeakPolarHBondContact O-CG 2.99Å; A63-R67 PolarHBondContact O-N 3.24Å
64A96.5Very high95.9Very high0 Ų054.6 Ų54.60%028%0.276CS..Hα-helixtrans-65.4-40.1174.700000111.6F34 M59 D61 R62 R67 A68F34-A64 VanDerWaalsContact O-CB 3.28Å; F34-A64 WeakPolarHBondContact O-CB 3.35Å; M59-A64 HydrophobicContact CB-CB 4.15Å; M59-A64 HydrophobicContact CE-CB 3.79Å; M59-A64 HydrophobicContact CG-CB 4.42Å; D61-A64 HydrophobicContact CB-CB 4.12Å; D61-A64 WeakPolarHBondContact O-CB 3.38Å; D61-A64 PolarHBondContact O-N 3.34Å; R62-A64 VanDerWaalsContact C-N 3.27Å; R62-A64 PolarHBondContact O-N 3.37Å; A64-R67 PolarHBondContact O-N 3.41Å; A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 3.36Å
65A96.5Very high95.8Very high0 Ų057.4 Ų57.40%029%0.293CS..Hα-helixtrans-66-39.8175.700000113.3Y10 I13 M59 D61 R62 A68 C69 L85Y10-A65 WeakPolarHBondContact O-CB 3.14Å; I13-A65 HydrophobicContact CD1-CB 4.02Å; I13-A65 HydrophobicContact CG1-CB 4.1Å; M59-A65 HydrophobicContact CB-CB 4.16Å; M59-A65 HydrophobicContact CG-CB 3.87Å; D61-A65 PolarHBondContact O-N 3.34Å; R62-A65 PolarHBondContact O-N 3.44Å; R62-A65 VanDerWaalsContact O-N 3.12Å; A65-A68 PolarHBondContact O-N 3.12Å; A65-C69 WeakPolarHBondContact O-CB 3.46Å; A65-C69 PolarHBondContact O-N 3.16Å; A65-C69 PolarHBondContact O-SG 2.91Å; A65-L85 HydrophobicContact CB-CD2 4.4Å
66E95.5Very high95.6Very high94 Ų9457.5 Ų57.544%0.43929%0.294SS..Hα-helixtrans-64.4-40.3174.6-70.8176.9-177.800111.7R62 A63 C69 K70R62-E66 HydrophobicContact CG-CG 4.48Å; R62-E66 IonicContact CZ-OE1 3.33Å; R62-E66 IonicContact NE-OE1 2.77Å; R62-E66 PolarHBondContact NE-OE1 3.01Å; R62-E66 IonicContact NH2-OE1 3Å; R62-E66 PolarHBondContact NH2-OE1 2.96Å; R62-E66 PolarHBondContact O-N 3.36Å; A63-E66 PolarHBondContact O-N 3.12Å; E66-C69 PolarHBondContact O-N 3.09Å; E66-K70 PolarHBondContact O-N 3.33Å; E66-K70 VanDerWaalsContact O-N 3.12Å
67R96.1Very high95.4Very high141 Ų14158.7 Ų58.753%0.53230%0.302SS..Hα-helixtrans-61.3-44.6173.2-72.9-170-64-155.6-2112.2F34 A63 A64 C69 K70F34-R67 HydrophobicContact CB-CB 4.46Å; F34-R67 HydrophobicContact CD1-CB 4.24Å; F34-R67 VanDerWaalsContact O-CZ 3.22Å; F34-R67 PolarHBondContact O-NE 2.86Å; F34-R67 VanDerWaalsContact O-NE 3.16Å; F34-R67 PolarHBondContact O-NH2 3.2Å; A63-R67 WeakPolarHBondContact O-CG 2.99Å; A63-R67 PolarHBondContact O-N 3.24Å; A64-R67 PolarHBondContact O-N 3.41Å; R67-C69 VanDerWaalsContact C-N 3.3Å; R67-C69 PolarHBondContact O-N 3.34Å; R67-K70 VanDerWaalsContact O-CB 3.25Å; R67-K70 WeakPolarHBondContact O-CB 3.4Å; R67-K70 PolarHBondContact O-N 3.22Å
68A95.4Very high95.3Very high4 Ų462.2 Ų62.23%0.03334%0.338CS..Hα-helixtrans-67-29.6178.800000113.2I13 F31 F34 A64 A65I13-A68 HydrophobicContact CD1-CB 3.7Å; F31-A68 HydrophobicContact CD1-CB 3.86Å; F31-A68 HydrophobicContact CE1-CB 3.97Å; F34-A68 HydrophobicContact CB-CB 4.16Å; F34-A68 HydrophobicContact CD2-CB 3.77Å; F34-A68 HydrophobicContact CE2-CB 4.3Å; F34-A68 HydrophobicContact CG-CB 3.91Å; A64-A68 WeakPolarHBondContact O-CB 3.4Å; A64-A68 PolarHBondContact O-N 3.36Å; A65-A68 PolarHBondContact O-N 3.12Å
69C94.9Very high95.2Very high31 Ų3167.1 Ų67.121%0.20936%0.357CS..THydrogen-bonded Turntrans-87.4-3.6176.4-62.40000113.7A65 E66 R67 D71A65-C69 WeakPolarHBondContact O-CB 3.46Å; A65-C69 PolarHBondContact O-N 3.16Å; A65-C69 PolarHBondContact O-SG 2.91Å; E66-C69 PolarHBondContact O-N 3.09Å; R67-C69 VanDerWaalsContact C-N 3.3Å; R67-C69 PolarHBondContact O-N 3.34Å; C69-D71 VanDerWaalsContact C-N 3.29Å; C69-D71 PolarHBondContact O-N 2.84Å
70K95.1Very high95.2Very high171 Ų17174.3 Ų74.374%0.74339%0.388SS*.SBendtrans-62-39.5179.5-172.1173.1-178.9179.50111.7E66 R67 P72E66-K70 PolarHBondContact O-N 3.33Å; E66-K70 VanDerWaalsContact O-N 3.12Å; R67-K70 VanDerWaalsContact O-CB 3.25Å; R67-K70 WeakPolarHBondContact O-CB 3.4Å; R67-K70 PolarHBondContact O-N 3.22Å; K70-P72 VanDerWaalsContact O-CD 3.32Å; K70-P72 WeakPolarHBondContact O-CD 3.49Å
71D93.6Very high95.2Very high103 Ų10372.1 Ų72.155%0.55137%0.37SS*.SBendtrans-102.498.7172.6-64.4-44000109C69 N73 P74C69-D71 VanDerWaalsContact C-N 3.29Å; C69-D71 PolarHBondContact O-N 2.84Å; D71-N73 PolarHBondContact O-N 2.83Å; D71-P74 WeakPolarHBondContact O-CD 3.49Å
72P93.7Very high95.3Very high59 Ų5970.8 Ų70.838%0.38336%0.363SS..SBendtrans-70.1-13.4-17527.3-35.9000113.5K70 P74 N82 V83K70-P72 VanDerWaalsContact O-CD 3.32Å; K70-P72 WeakPolarHBondContact O-CD 3.49Å; P72-P74 VanDerWaalsContact C-CD 3.49Å; P72-N82 CarbonylContact O-C 3.46Å; P72-N82 VanDerWaalsContact O-CA 3.32Å; P72-N82 WeakPolarHBondContact O-CA 3.33Å; P72-V83 PolarHBondContact O-N 3.32Å
73N95.7Very high95.3Very high86 Ų8664.4 Ų64.446%0.4634%0.339SS..SBendtrans-129.163.7-176.6-58.7120.1000113.9D71 K80 A81D71-N73 PolarHBondContact O-N 2.83Å; N73-K80 HydrophobicContact CB-CD 4.2Å; N73-K80 HydrophobicContact CB-CG 4.18Å; N73-A81 VanDerWaalsContact CA-O 3.3Å; N73-A81 WeakPolarHBondContact CA-O 3.41Å
74P95.5Very high95.3Very high12 Ų1264.7 Ų64.78%0.07833%0.332CS..  trans-71.4158.1177.627.5-28.9000112.1Y30 D71 P72 I76 A81 V83Y30-P74 HydrophobicContact CE1-CB 3.99Å; Y30-P74 HydrophobicContact CE1-CG 4.35Å; Y30-P74 WeakPolarHBondContact OH-CB 3.02Å; D71-P74 WeakPolarHBondContact O-CD 3.49Å; P72-P74 VanDerWaalsContact C-CD 3.49Å; P74-I76 HydrophobicContact CB-CG1 4.48Å; P74-I76 HydrophobicContact CG-CD1 4.39Å; P74-I76 HydrophobicContact CG-CG1 4.49Å; P74-A81 HydrophobicContact CG-CB 4.37Å; P74-A81 PolarHBondContact O-N 2.85Å; P74-V83 HydrophobicContact CG-CB 4.43Å; P74-V83 HydrophobicContact CG-CG2 3.4Å
75I95.3Very high95.3Very high114 Ų11466 Ų6659%0.58534%0.339SS*.EExtended strand (participates in β ladder)trans-98.2114.5170.5-59.3176.1000108.2R79I75-R79 WeakPolarHBondContact CA-O 3.37Å
76I93.9Very high95.2Very high2 Ų266.6 Ų66.61%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-116.1126.4179.1-55.4177.1000107.7V15 L18 Y30 F31 P74 G78 R79 A81V15-I76 HydrophobicContact CG1-CD1 3.92Å; L18-I76 HydrophobicContact CD2-CB 4.25Å; L18-I76 HydrophobicContact CD2-CD1 3.9Å; L18-I76 HydrophobicContact CD2-CG2 4.11Å; Y30-I76 HydrophobicContact CD1-CD1 3.78Å; Y30-I76 HydrophobicContact CD1-CG1 3.88Å; Y30-I76 HydrophobicContact CD2-CG1 4.14Å; Y30-I76 HydrophobicContact CE1-CD1 3.96Å; Y30-I76 HydrophobicContact CE1-CG1 3.87Å; Y30-I76 HydrophobicContact CE2-CG1 4.14Å; Y30-I76 HydrophobicContact CG-CD1 4.27Å; Y30-I76 HydrophobicContact CG-CG1 4.03Å; F31-I76 HydrophobicContact CE2-CD1 4.07Å; F31-I76 HydrophobicContact CZ-CD1 4.4Å; P74-I76 HydrophobicContact CB-CG1 4.48Å; P74-I76 HydrophobicContact CG-CD1 4.39Å; P74-I76 HydrophobicContact CG-CG1 4.49Å; I76-G78 PolarHBondContact O-N 2.77Å; I76-G78 VanDerWaalsContact O-N 3.09Å; I76-R79 PolarHBondContact N-O 3.01Å; I76-R79 PolarHBondContact O-N 2.91Å; I76-A81 HydrophobicContact CD1-CB 3.89Å; I76-A81 HydrophobicContact CG1-CB 4.14Å
77D92.7Very high95.1Very high76 Ų7667.1 Ų67.141%0.40634%0.343SS..THydrogen-bonded Turntrans50.136.2-178.6-60.9-34.4000113.4P19 T22 R79P19-D77 HydrophobicContact CG-CB 3.91Å; T22-D77 WeakPolarHBondContact CB-OD2 3.48Å; T22-D77 WeakPolarHBondContact CG2-OD2 3.28Å; T22-D77 PolarHBondContact OG1-OD2 3.22Å; D77-R79 PolarHBondContact O-N 2.85Å
78G94.3Very high94.9Very high74 Ų7465.5 Ų65.576%0.76334%0.344SS*.THydrogen-bonded Turntrans79.96.8178.800000115.7I76I76-G78 PolarHBondContact O-N 2.77Å; I76-G78 VanDerWaalsContact O-N 3.09Å
79R95.6Very high94.6Very high108 Ų10868.3 Ų68.341%0.40837%0.373SS..EExtended strand (participates in β ladder)trans-119.4140.8173.8-177179.3-77.8-170.5-7.8111G17 L18 P19 I75 I76 D77 A81G17-R79 WeakPolarHBondContact O-CD 3.33Å; G17-R79 WeakPolarHBondContact O-CG 3.12Å; L18-R79 PolarHBondContact O-NH1 3.41Å; P19-R79 HydrophobicContact CG-CB 3.53Å; P19-R79 HydrophobicContact CG-CG 4.44Å; I75-R79 WeakPolarHBondContact CA-O 3.37Å; I76-R79 PolarHBondContact N-O 3.01Å; I76-R79 PolarHBondContact O-N 2.91Å; D77-R79 PolarHBondContact O-N 2.85Å; R79-A81 PolarHBondContact O-N 3.35Å
80K96.8Very high94Very high150 Ų15069.9 Ų69.965%0.65239%0.388SS*.EExtended strand (participates in β ladder)trans-68.4114.3173.3-170.817268.11760109.9N73N73-K80 HydrophobicContact CB-CD 4.2Å; N73-K80 HydrophobicContact CB-CG 4.18Å
81A96.7Very high93.3Very high3 Ų370.3 Ų70.33%0.02539%0.391CS..  trans-92.4170.8174.400000110.9V15 G16 L18 N73 P74 I76 R79V15-A81 HydrophobicContact CG1-CB 4.43Å; G16-A81 CarbonylContact O-C 3.45Å; G16-A81 WeakPolarHBondContact O-CA 3.26Å; G16-A81 VanDerWaalsContact O-CB 3.3Å; G16-A81 WeakPolarHBondContact O-CB 3.37Å; L18-A81 HydrophobicContact CD2-CB 4.49Å; N73-A81 VanDerWaalsContact CA-O 3.3Å; N73-A81 WeakPolarHBondContact CA-O 3.41Å; P74-A81 HydrophobicContact CG-CB 4.37Å; P74-A81 PolarHBondContact O-N 2.85Å; I76-A81 HydrophobicContact CD1-CB 3.89Å; I76-A81 HydrophobicContact CG1-CB 4.14Å; R79-A81 PolarHBondContact O-N 3.35Å
82N96.1Very high92.3Very high64 Ų6470.9 Ų70.934%0.34240%0.4SS..EExtended strand (participates in β ladder)trans-124.6127.8171.5-178.6-38.2000108.5V15 G16 P72 N84V15-N82 CarbonylContact C-O 3.53Å; V15-N82 WeakPolarHBondContact CA-O 3.31Å; G16-N82 PolarHBondContact N-O 2.8Å; G16-N82 PolarHBondContact O-N 3.41Å; P72-N82 CarbonylContact O-C 3.46Å; P72-N82 VanDerWaalsContact O-CA 3.32Å; P72-N82 WeakPolarHBondContact O-CA 3.33Å; N82-N84 PolarHBondContact OD1-ND2 2.82Å
83V96.7Very high90.9Very high1 Ų179.3 Ų79.31%0.00642%0.424CS..EExtended strand (participates in β ladder)trans-119.6129.6-177.5-177.50000109.5I13 F14 V15 F31 P72 P74I13-V83 HydrophobicContact CG2-CG1 3.27Å; F14-V83 WeakPolarHBondContact O-CA 3.31Å; V15-V83 HydrophobicContact CG1-CG2 4.25Å; F31-V83 HydrophobicContact CE1-CG1 4.25Å; F31-V83 HydrophobicContact CE1-CG2 4.49Å; F31-V83 HydrophobicContact CZ-CG1 4.4Å; F31-V83 HydrophobicContact CZ-CG2 4Å; P72-V83 PolarHBondContact O-N 3.32Å; P74-V83 HydrophobicContact CG-CB 4.43Å; P74-V83 HydrophobicContact CG-CG2 3.4Å
84N96Very high89.2Confident66 Ų6682.3 Ų82.335%0.35344%0.438SS..EExtended strand (participates in β ladder)trans-149.4155.9177.8-85.9-64.6000110.6I13 F14 N82 A86 L88I13-N84 CarbonylContact C-O 3.58Å; I13-N84 WeakPolarHBondContact CA-O 3.44Å; F14-N84 PolarHBondContact N-O 2.76Å; F14-N84 PolarHBondContact O-N 3.06Å; N82-N84 PolarHBondContact OD1-ND2 2.82Å; N84-A86 PolarHBondContact O-N 2.81Å; N84-L88 HydrophobicContact CB-CD1 4.49Å
85L95.5Very high87.3Confident26 Ų2689.5 Ų89.514%0.13647%0.473CS..EExtended strand (participates in β ladder)trans-62.2130.6169.6-67172.5000109.6A65 Y87 L88A65-L85 HydrophobicContact CB-CD2 4.4Å; L85-Y87 HydrophobicContact CB-CD1 3.58Å; L85-Y87 HydrophobicContact CB-CE1 3.39Å; L85-Y87 HydrophobicContact CD1-CD1 4.44Å; L85-Y87 HydrophobicContact CD1-CE1 3.55Å; L85-Y87 HydrophobicContact CG-CE1 4.06Å; L85-Y87 PolarHBondContact O-N 3.47Å; L85-Y87 VanDerWaalsContact O-N 3.14Å; L85-L88 HydrophobicContact CB-CD1 4.16Å; L85-L88 HydrophobicContact CB-CG 4.39Å; L85-L88 VanDerWaalsContact O-CB 3.31Å; L85-L88 WeakPolarHBondContact O-CB 3.33Å; L85-L88 PolarHBondContact O-N 3.49Å
86A94.9Very high85.1Confident13 Ų1392.1 Ų92.111%0.10748%0.483CS..Hα-helixtrans-63.7-27.2-167.800000112.8K12 F14 F56 N84 L88 G89 A90K12-A86 HydrophobicContact CB-CB 4.08Å; K12-A86 HydrophobicContact CD-CB 4.23Å; K12-A86 HydrophobicContact CG-CB 3.74Å; K12-A86 WeakPolarHBondContact O-CB 3.48Å; K12-A86 PolarHBondContact O-N 2.72Å; F14-A86 HydrophobicContact CB-CB 4.35Å; F56-A86 HydrophobicContact CD1-CB 4.18Å; F56-A86 HydrophobicContact CE1-CB 4.18Å; N84-A86 PolarHBondContact O-N 2.81Å; A86-L88 PolarHBondContact O-N 3.26Å; A86-G89 PolarHBondContact O-N 3.22Å; A86-A90 WeakPolarHBondContact O-CB 3.04Å; A86-A90 PolarHBondContact O-N 3.08Å
87Y93.2Very high83.1Confident106 Ų10697.4 Ų97.442%0.41652%0.517SS..Hα-helixtrans-63.5-25.6176.379.2-94000112.9T9 Y10 L85T9-Y87 HydrophobicContact CG2-CD1 4.13Å; T9-Y87 HydrophobicContact CG2-CG 4.06Å; T9-Y87 VanDerWaalsContact O-CD1 3.26Å; T9-Y87 WeakPolarHBondContact O-CD1 3.4Å; Y10-Y87 HydrophobicContact CD1-CE1 4.26Å; Y10-Y87 HydrophobicContact CE1-CE1 4.35Å; L85-Y87 HydrophobicContact CB-CD1 3.58Å; L85-Y87 HydrophobicContact CB-CE1 3.39Å; L85-Y87 HydrophobicContact CD1-CD1 4.44Å; L85-Y87 HydrophobicContact CD1-CE1 3.55Å; L85-Y87 HydrophobicContact CG-CE1 4.06Å; L85-Y87 PolarHBondContact O-N 3.47Å; L85-Y87 VanDerWaalsContact O-N 3.14Å
88L91.9Very high81.1Confident106 Ų10697.3 Ų97.356%0.55553%0.534SS*.Hα-helixtrans-69.5-34.6179.1-64.1169.9000112.2N84 L85 A86N84-L88 HydrophobicContact CB-CD1 4.49Å; L85-L88 HydrophobicContact CB-CD1 4.16Å; L85-L88 HydrophobicContact CB-CG 4.39Å; L85-L88 VanDerWaalsContact O-CB 3.31Å; L85-L88 WeakPolarHBondContact O-CB 3.33Å; L85-L88 PolarHBondContact O-N 3.49Å; A86-L88 PolarHBondContact O-N 3.26Å
89G87.9Confident78.7Confident63 Ų63102.2 Ų102.265%0.64954%0.535SS*.Hα-helixtrans-101.7-7-179.700000114.1A86 K91A86-G89 PolarHBondContact O-N 3.22Å; G89-K91 PolarHBondContact O-N 3.42Å
90A84.2Confident76.5Confident64 Ų64102 Ų10253%0.52956%0.557SS.*SBendtrans-65.1112.1177.400000108.6A86A86-A90 WeakPolarHBondContact O-CB 3.04Å; A86-A90 PolarHBondContact O-N 3.08Å
91K78.4Confident73.9Confident181 Ų181102.5 Ų102.579%0.78756%0.559SS**  trans-47131167.7-69.9177.4177.2-179.10107.3G89 R93G89-K91 PolarHBondContact O-N 3.42Å; K91-R93 PolarHBondContact O-N 2.94Å
92P73.2Confident71.5Confident115 Ų115106 Ų10675%0.74760%0.595SS**  trans-54.2110.4176.621.6-30.9000106I94P92-I94 PolarHBondContact O-N 2.97Å
93R64.8Low69.4Low235 Ų235108.5 Ų108.589%0.88761%0.612SS**  trans-70.388.5168.6-69.6-154.9-137.5162.36.1103.9K91 M95K91-R93 PolarHBondContact O-N 2.94Å; R93-M95 PolarHBondContact O-N 3.1Å
94I60.5Low67.2Low149 Ų149116.2 Ų116.276%0.76465%0.648SS**  trans-60.696153-60.8170.6000102.3P92 Q96P92-I94 PolarHBondContact O-N 2.97Å; I94-Q96 PolarHBondContact O-N 3.23Å
95M54.7Low65.1Low164 Ų164121.8 Ų121.881%0.80867%0.672SS**  trans-56.294168.5-171.298.1133.400103.5R93 P97R93-M95 PolarHBondContact O-N 3.1Å; M95-P97 WeakPolarHBondContact O-CD 3.46Å
96Q50Low63.2Low169 Ų169127.2 Ų127.279%0.7970%0.701SS**  trans-54.1118.4165-105.8-166.7-6.700103.7I94 G98I94-Q96 PolarHBondContact O-N 3.23Å; Q96-G98 PolarHBondContact O-N 3.4Å
97P51Low61.1Low112 Ų112134.4 Ų134.473%0.72773%0.732SS**  trans-62.9100.1167.225.4-27.9000104.3M95 F99M95-P97 WeakPolarHBondContact O-CD 3.46Å; P97-F99 PolarHBondContact O-N 3.46Å
98G51Low59Low74 Ų74135.6 Ų135.676%0.76375%0.752SS**  trans-68.761.7172.100000109.4Q96 A100Q96-G98 PolarHBondContact O-N 3.4Å; G98-A100 PolarHBondContact O-N 2.99Å; G98-A100 VanDerWaalsContact O-N 3.15Å
99F43.8Very low57.1Low177 Ų177135 Ų13578%0.77676%0.763SS**  trans-73.584.2144.5-96.3-87.4000105.9P97 F101P97-F99 PolarHBondContact O-N 3.46Å; F99-F101 HydrophobicContact CD1-CB 4.36Å; F99-F101 HydrophobicContact CD1-CD2 4.17Å; F99-F101 HydrophobicContact CE1-CD2 4.48Å; F99-F101 PolarHBondContact O-N 3.09Å
100A50.2Low55.6Low105 Ų105140 Ų14087%0.86877%0.774SS**  trans-67.867.5150.100000107.5G98G98-A100 PolarHBondContact O-N 2.99Å; G98-A100 VanDerWaalsContact O-N 3.15Å
101F41.9Very low54.3Low159 Ų159144.1 Ų144.170%0.69779%0.786SS**  trans-87.8112.4162.3-143.4-92.3000105.6F99 V103F99-F101 HydrophobicContact CD1-CB 4.36Å; F99-F101 HydrophobicContact CD1-CD2 4.17Å; F99-F101 HydrophobicContact CE1-CD2 4.48Å; F99-F101 PolarHBondContact O-N 3.09Å; F101-V103 HydrophobicContact CD1-CG2 4.36Å; F101-V103 PolarHBondContact O-N 3.2Å
102G45.3Very low53Low76 Ų76144 Ų14478%0.78479%0.788SS**  trans-57.4104.8174.800000109.7
103V51.8Low52Low117 Ų117150.1 Ų150.171%0.70980%0.796SS**  trans-130.4114.5157.6-158.80000104.7F101 Q105F101-V103 HydrophobicContact CD1-CG2 4.36Å; F101-V103 PolarHBondContact O-N 3.2Å; V103-Q105 PolarHBondContact O-N 3.01Å
104Q51.6Low51.4Low163 Ų163144 Ų14476%0.76279%0.787SS**  trans-48136.8174.6-75-172.6-9.600109.6L106Q104-L106 PolarHBondContact O-N 3.14Å
105Q51.3Low51.1Low184 Ų184147.2 Ų147.286%0.8680%0.796SS**  trans-55.791.4157-80.6-80.37.200107.3V103 H107V103-Q105 PolarHBondContact O-N 3.01Å; Q105-H107 PolarHBondContact O-N 3.22Å
106L56.4Low51Low139 Ų139142.5 Ų142.573%0.72879%0.789SS**  trans-83.7107179.3-133.2140.1000105.9Q104Q104-L106 PolarHBondContact O-N 3.14Å
107H50.8Low51.2Low164 Ų164142.8 Ų142.876%0.75979%0.794SS**  trans-54.3129.4179.4-71.581.1000110.4Q105 A109Q105-H107 PolarHBondContact O-N 3.22Å; H107-A109 VanDerWaalsContact C-N 3.26Å; H107-A109 PolarHBondContact O-N 2.67Å
108P48.2Very low51.2Low131 Ų131143 Ų14385%0.85180%0.795SS**  trans-80.179.8169.631.3-29.4000108.7
109A53.3Low51.2Low95 Ų95143.2 Ų143.279%0.78579%0.79SS**  trans-89.1108162.600000108H107H107-A109 VanDerWaalsContact C-N 3.26Å; H107-A109 PolarHBondContact O-N 2.67Å
110L55.9Low51.8Low166 Ų166142.8 Ų142.887%0.86979%0.79SS**PPolyproline II helixtrans-73.2134.2-163-157145.1000112.4Q112L110-Q112 PolarHBondContact O-N 3.16Å
111I57.3Low51.8Low152 Ų152147.8 Ų147.878%0.77979%0.788SS**PPolyproline II helixtrans-52.7120.7173.3-78.2162000111.1
112Q51.1Low52.2Low179 Ų179146.8 Ų146.884%0.83680%0.795SS**PPolyproline II helixtrans-58.9135.3167.9-68.5175.727.900110.9L110L110-Q112 PolarHBondContact O-N 3.16Å
113R51.3Low52.5Low242 Ų242153.5 Ų153.591%0.91380%0.798SS**  trans-164.6144.8131.2-107168.1146.4-122.1-11.4111.7
114P52.7Low52.8Low108 Ų108153 Ų15370%0.70180%0.797SS**  trans-103.8151.9-143.738.2-32.4000113.1
115F52.6Low52.7Low216 Ų216154 Ų15495%0.94780%0.802SS**  trans-178.8117.3138.2-113.3-84.6000110.2
116G53.9Low52.9Low64 Ų64149.6 Ų149.666%0.6680%0.797SS**  trans94.6105.9145.900000121.2
117I54.5Low52.8Low175 Ų175151.8 Ų151.890%0.89780%0.801SS**  trans70.7140.4138.636.7177.5000122.5
118P50.3Low52.8Low116 Ų116150.2 Ų150.275%0.75380%0.803SS**  trans-129.1167-142.639.7-20.6000119
119A51.5Low52.8Low80 Ų80151.4 Ų151.466%0.66180%0.797SS**  trans76.1154.7143.200000123.9
120H55.3Low52.8Low168 Ų168152.5 Ų152.578%0.77880%0.796SS**  trans95122.3167.2-56.6-75000115.4
121Y50Low52.5Low209 Ų209147.8 Ų147.882%0.8279%0.787SS**  cis-152.8137.712.3-112.8-90.3000108.7
122V52.2Low52.3Low138 Ų138147.6 Ų147.684%0.83679%0.793SS**  trans-110.6136.6170.5156.20000108.7
123Y51.5Low52.2Low217 Ų217144.5 Ų144.585%0.85179%0.786SS**PPolyproline II helixtrans-100.2150.5172.2-129.1-103000110.8
124P58.2Low52.2Low107 Ų107140.2 Ų140.270%0.69578%0.78SS**PPolyproline II helixtrans-93.2150.7-157.133.4-25.8000114.3
125Q49.2Very low51.9Low183 Ų183139.9 Ų139.986%0.85578%0.777SS**PPolyproline II helixtrans-76140.9168.7-76.2-94.5-43.900111.2
126A54.3Low52Low93 Ų93137.2 Ų137.277%0.76977%0.768SS**PPolyproline II helixtrans-84117170.400000110.9
127F53.7Low52Low184 Ų184140.6 Ų140.681%0.80778%0.775SS**  trans-10.2139.6146.6-75.2-106.6000115.5
128V52.9Low51.7Low131 Ų131140 Ų14079%0.79477%0.769SS**  -172.5108.367.4169.90000105.5
129Q46.7Very low51.7Low157 Ų157140.7 Ų140.773%0.73477%0.773SS**  54.9157.876.2-70.9-77.215.200115.7
130P53.1Low51.4Low118 Ų118142.3 Ų142.377%0.76678%0.775SS**  cis-138.5165.6-16.427.6-5.8000114.1
131G49.4Very low51.1Low66 Ų66138.9 Ų138.968%0.6878%0.776SS**  trans178.4108.7162.600000114.7
132V53.4Low50.9Low148 Ų148133.8 Ų133.890%0.89778%0.777SS**  trans88.4141.9167.5-154.90000116.1
133V50.3Low50.6Low114 Ų114131.7 Ų131.769%0.69177%0.774SS**  trans-126.2140.1-134.5-92.80000112.1
134I49.9Very low50.2Low152 Ų152126.3 Ų126.378%0.77978%0.775SS**  trans73.5142.8135-63.9171.1000117.4
135P46.3Very low49.7Very low101 Ų101126.8 Ų126.866%0.65678%0.78SS**  cis-141.9178.1-24.437.6-18.2000115.5
136H54.3Low49.8Very low160 Ų160124.1 Ų124.174%0.74178%0.777SS**  trans109.1121.9136.6101.7-61.9000120.8
137V55.4Low49.7Very low136 Ų136126.1 Ų126.182%0.82478%0.78SS**  trans75.1118.7152.7-560000122.2
138Q47.8Very low49.2Very low162 Ų162122.8 Ų122.876%0.75778%0.776SS**  trans-116.3152177.8152.3175.9-24.700108.2T140Q138-T140 HydrophobicContact CG-CG2 4.34Å
139P49.7Very low48.7Very low131 Ų131126.8 Ų126.885%0.85178%0.779SS**  -151.4177.9101.333.2-9.2000116.4
140T45.9Very low49.1Very low113 Ų113124.3 Ų124.369%0.69377%0.769SS**  trans-117.7157-147.541.40000116.3Q138Q138-T140 HydrophobicContact CG-CG2 4.34Å
141A49.4Very low48.6Very low97 Ų97124.7 Ų124.780%0.80277%0.765SS**  trans91.9133.4134.700000124.8
142A45.4Very low48.6Very low102 Ų102131.5 Ų131.584%0.84377%0.772SS**  trans71.8147.3140.900000120
143A46.4Very low48.6Very low94 Ų94130.1 Ų130.178%0.77776%0.764SS**  cis-165.7160-2.600000111.3
144A42.3Very low48.7Very low104 Ų104128.2 Ų128.286%0.8677%0.767SS**  trans40.3124.5147.600000123.6
145S47.9Very low48.5Very low116 Ų116125.7 Ų125.781%0.81177%0.769SS**  trans-157.1120137.558.60000112.2
146T51.6Low48.4Very low127 Ų127125.2 Ų125.278%0.77977%0.773SS**  trans-22.5139.3157.544.50000118.2
147T51.3Low47.9Very low136 Ų136129.3 Ų129.383%0.83478%0.784SS**  169.3156.1110.336.20000111.8
148P44.6Very low47.5Very low113 Ų113127.2 Ų127.273%0.73478%0.781SS**  trans-105.1156.9-146.838.5-31.6000114.2
149Y40.7Very low47.1Very low215 Ų215126.8 Ų126.884%0.84378%0.779SS**  trans-156.1115.2157.4-139.8-114.4000113.9
150I55.1Low46.9Very low105 Ų105130.8 Ų130.854%0.53878%0.779SS.*  trans67.8106147.6-59.7-167000119.6Y152I150-Y152 HydrophobicContact CG2-CD2 3.7Å; I150-Y152 HydrophobicContact CG2-CE2 4.47Å
151D42.6Very low46.8Very low126 Ų126131.2 Ų131.267%0.67479%0.786SS**  trans-73.8131152.2-158.3-68.1000109.3T153D151-T153 WeakPolarHBondContact OD1-CB 3.27Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.39Å; D151-T153 PolarHBondContact OD1-N 3.3Å; D151-T153 VanDerWaalsContact OD1-N 3.12Å; D151-T153 PolarHBondContact OD1-OG1 3.18Å
152Y51.1Low46.5Very low210 Ų210131.5 Ų131.582%0.82479%0.788SS**  trans-132.167.9167.7-125.4-83.6000107.8I150I150-Y152 HydrophobicContact CG2-CD2 3.7Å; I150-Y152 HydrophobicContact CG2-CE2 4.47Å
153T52.8Low46.4Very low119 Ų119131.4 Ų131.473%0.7379%0.787SS**  trans-98.8119.7165.655.40000109.3D151D151-T153 WeakPolarHBondContact OD1-CB 3.27Å; D151-T153 WeakPolarHBondContact OD1-CG2 3.39Å; D151-T153 PolarHBondContact OD1-N 3.3Å; D151-T153 VanDerWaalsContact OD1-N 3.12Å; D151-T153 PolarHBondContact OD1-OG1 3.18Å
154G51.4Low46.2Very low73 Ų73131.5 Ų131.575%0.75379%0.788SS**SBendtrans98.293.2169.600000115.4
155A47.2Very low46.1Very low99 Ų99131.4 Ų131.482%0.81879%0.788SS**  trans165.568.6141.500000111.2
156A44.3Very low45.8Very low91 Ų91130.6 Ų130.675%0.75279%0.788SS**SBendtrans-165.538.6164.800000113.5
157Y43.5Very low45.3Very low247 Ų247129.3 Ų129.397%0.96979%0.79SS**SBendtrans-140.860.3170-88.5-87.2000109.1
158A46.2Very low44.8Very low92 Ų92127.9 Ų127.976%0.7679%0.792SS**SBendtrans-16256.817400000110.6
159Q40.6Very low44.6Very low152 Ų152127 Ų12771%0.7180%0.795SS**SBendtrans-164149.4161.4-124.5157.2-106.200106
160Y45.1Very low44.5Very low216 Ų216121.7 Ų121.785%0.84780%0.795SS**SBendtrans76.136.6-178-17.5-71.5000118
161S43Very low43.9Very low121 Ų121121.4 Ų121.485%0.84681%0.808SS**  trans-142.744.9150.972.10000111.4
162A42.8Very low44Very low103 Ų103119.7 Ų119.785%0.85181%0.812SS**SBendtrans-115.516.5166.900000111.6
163A43.4Very low43.7Very low100 Ų100119.9 Ų119.983%0.82681%0.812SS**SBendtrans-131.148.417900000111.5
164A41.9Very low43.2Very low96 Ų96120.3 Ų120.379%0.79381%0.81SS**SBendtrans-141.58.5166.300000113
165A42Very low42.7Very low103 Ų103123.5 Ų123.585%0.85181%0.805SS**SBendtrans-98.616.617700000113.5
166A41.3Very low42.4Very low99 Ų99128.4 Ų128.482%0.81880%0.804SS**SBendtrans-135.217.9-173.800000115.3
167A40.5Very low42.9Very low99 Ų99129.6 Ų129.682%0.81880%0.804SS**  trans-125.82917800000113.7
168A40.4Very low42.8Very low107 Ų107128.5 Ų128.588%0.88480%0.8SS**SBendtrans-9614.917400000113.4
169A39.9Very low42.9Very low95 Ų95128.8 Ų128.879%0.78580%0.803SS**SBendtrans-15082.6-176.400000111.2
170A40.2Very low43.2Very low103 Ų103125.6 Ų125.685%0.85180%0.802SS**  trans171.7112.7152.800000110.6
171A42.7Very low43.6Very low98 Ų98121.1 Ų121.181%0.8180%0.802SS**  trans137.272162.500000107.8
172A43Very low44.1Very low90 Ų90121.4 Ų121.474%0.74480%0.801SS**  60.4124.774.300000113
173Y45.6Very low44.2Very low215 Ų215121 Ų12184%0.84380%0.798SS**  trans83.496.3171-84.5-94.3000119
174D42Very low44.4Very low128 Ų128121.1 Ų121.168%0.68480%0.799SS**  164.190101.5-137.1-91.5000107.8
175Q40.5Very low44.6Very low139 Ų139121.2 Ų121.265%0.6580%0.8SS**  61.4104.696.5-165.7152.2-64.200113.9
176Y40.9Very low44.6Very low202 Ų202119.5 Ų119.579%0.79279%0.792SS**  -176.2145118.6-90.7-71.9000110.6
177P54.5Low44.6Very low116 Ų116124.6 Ų124.675%0.75379%0.791SS**  trans-104.2155.5-144.238.7-35.5000116.1
178Y42.1Very low44.7Very low224 Ų224126.5 Ų126.588%0.87879%0.793SS**  trans-69.1139.2171.6-124.6-97.6000112.2
179A48Very low44.7Very low99 Ų99128.1 Ų128.182%0.81879%0.792SS**  trans-96.6123.3157.300000108.9
180A47.4Very low44.8Very low85 Ų85130 Ų13070%0.70279%0.793SS**  trans-108139.5171.600000109.5
181S53.4Low44.9Very low121 Ų121128.7 Ų128.785%0.84679%0.791SS**  -178.2148.2120.9-80.20000112.3
182P54.6Low44.8Very low127 Ų127127.8 Ų127.883%0.82579%0.791SS**  trans-109.8153.4-164.338.8-27.5000114.2
183A44.9Very low44.7Very low95 Ų95134.8 Ų134.879%0.78580%0.8SS**  trans-178.8109.8151.800000107.8
184A46.4Very low44.7Very low102 Ų102130.1 Ų130.184%0.84380%0.798SS**  89.4134.481.900000113.9
185A46Very low44.6Very low99 Ų99134.4 Ų134.482%0.81881%0.806SS**  trans89.3126.3165.700000119.2
186G42.8Very low45.1Very low66 Ų66132.8 Ų132.868%0.6882%0.817SS**  trans132.8105.1145.500000116
187Y41.1Very low45.2Very low206 Ų206129 Ų12981%0.80882%0.815SS**  trans-88.3144.4-170.4-22.5-87.6000112.8
188V42.2Very low44.7Very low140 Ų140132.1 Ų132.185%0.84882%0.819SS**  trans40.8123.6136.7-1730000119.5
189T40.2Very low44.9Very low140 Ų140129.6 Ų129.686%0.85982%0.815SS**  -179.5157.2124.2176.70000112.8
190T42.2Very low45Very low134 Ų134129.4 Ų129.482%0.82281%0.806SS**  trans-99.1161-156.8-166.40000114.3
191G41.8Very low45.1Very low77 Ų77132.6 Ų132.679%0.79481%0.809SS**  trans105.9125.414200000118.6
192G42.2Very low44.9Very low79 Ų79133.6 Ų133.681%0.81481%0.81SS**  trans153.195.6155.400000115.9
193Y39.9Very low44.4Very low236 Ų236131.9 Ų131.993%0.92581%0.807SS**  trans-83.4142165.3-64.5-89.4000110.6
194S44.8Very low44.6Very low117 Ų117132.2 Ų132.282%0.81881%0.81SS**  trans-152.2139.6154.159.10000111.3
195Y40Very low44.9Very low218 Ų218132.2 Ų132.286%0.85581%0.81SS**  trans-108.7146.2-177.340-92000109.1
196A50.9Low45.2Very low105 Ų105133.8 Ų133.887%0.86881%0.812SS**  trans-148131157.800000110.3
197V44.6Very low45.3Very low123 Ų123133.7 Ų133.775%0.74581%0.811SS**  trans-103.2135.8-178.7159.60000108.3
198Q42.3Very low45.6Very low182 Ų182130.7 Ų130.785%0.8581%0.814SS**  trans-169.6105.1150.6-141.2137.1-41.600109.4
199Q47.7Very low45.6Very low171 Ų171128.7 Ų128.780%0.79981%0.812SS**  100.8151.373.4-83.1-140.431.200114.2
200P50.3Low45.7Very low94 Ų94126.7 Ų126.761%0.6181%0.81SS**  trans-133.3179.6-141.542.6-24000117.8
201I49.3Very low45.8Very low153 Ų153124.9 Ų124.979%0.78581%0.809SS**  trans62.6138.715469.7172.2000124.2
202T48Very low45.7Very low141 Ų141126 Ų12687%0.86581%0.81SS**  trans156.1146.313946.90000108.4
203A45.7Very low45.7Very low91 Ų91127 Ų12775%0.75281%0.81SS**  cis-161.6130.5-3.600000106.5
204A47.4Very low45.8Very low103 Ų103120.8 Ų120.885%0.85181%0.808SS**  44.8116.1107.500000118.9
205A54.3Low45.4Very low101 Ų101119.9 Ų119.984%0.83581%0.808SS**  174.2151113.300000114
206P50.9Low45.4Very low133 Ų133114.2 Ų114.286%0.86481%0.806SS**  trans-112.3174.4-172.141-29.7000114.5
207G46.3Very low44.9Very low64 Ų64114.1 Ų114.166%0.6681%0.805SS**  trans144.6115.5150.500000119.5
208T47.4Very low44.8Very low143 Ų143112.4 Ų112.488%0.87780%0.804SS**  trans71110.4136.646.90000123.3
209A42.1Very low44.6Very low98 Ų98108.3 Ų108.381%0.8180%0.801SS**  61.2123.4119.900000121
210A42Very low44.4Very low97 Ų97105.2 Ų105.280%0.80281%0.805SS**  171.2142.6113.500000113.5
211A43.3Very low44.3Very low97 Ų97105.3 Ų105.380%0.80281%0.814SS**  trans63.8110149.400000119.1
212A40.8Very low44Very low99 Ų99108 Ų10882%0.81882%0.82SS**  76.8130.358.800000115.1
213A41.6Very low43.9Very low100 Ų100104.5 Ų104.583%0.82681%0.812SS**  trans78.9111.9158.600000118.8
214A42.3Very low44.2Very low106 Ų106107 Ų10788%0.87681%0.808SS**  171125.597.700000110.9
215A36.6Very low44.1Very low99 Ų99111.3 Ų111.382%0.81880%0.804SS**  trans-90.5163.8168.100000110.5
216A39.5Very low44Very low99 Ų99114 Ų11482%0.81880%0.799SS**  trans91.3147.1154.500000119.4
217A40.7Very low44Very low103 Ų103113.4 Ų113.485%0.85180%0.796SS**  trans74.5146.5171.200000116.1
218A41.8Very low44.2Very low87 Ų87120 Ų12072%0.71981%0.809SS**  cis-170.1132.7-11.900000104.4
219A39.6Very low44.4Very low95 Ų95122.4 Ų122.479%0.78581%0.811SS**  69.8126.8113.100000117.3
220A42.8Very low44.9Very low106 Ų106124.6 Ų124.688%0.87681%0.808SS**  trans76.8109.8151.200000120.1
221A47.8Very low45.6Very low97 Ų97127.4 Ų127.480%0.80280%0.804SS**  trans177.996.5133.100000108.4
222F42.9Very low46.2Very low209 Ų209128.6 Ų128.692%0.91780%0.802SS**  61.9113.889.2-125.9-86000115
223G45.9Very low46.8Very low68 Ų68129.7 Ų129.770%0.70179%0.794SS**  trans155.278.8169.300000111.5
224Q51.7Low47.6Very low143 Ų143134.5 Ų134.567%0.66879%0.791SS**  84.5126.383.3-84.7-75.2-4.100114.4
225Y46.7Very low48.4Very low194 Ų194137.4 Ų137.476%0.76179%0.788SS**  trans74.4139165.2-82.3-95.8000121.2
226Q52Low49.4Very low156 Ų156145.7 Ų145.773%0.72981%0.81SS**  cis-179.9132-31-161.917717.200105
227P50.9Low49.9Very low122 Ų122148 Ų14879%0.79281%0.809SS**PPolyproline II helixtrans-95.5124.8171.131.7-28.4000112
228Q49.3Very low50.4Low201 Ų201150.4 Ų150.494%0.93981%0.807SS**PPolyproline II helixtrans-72125.9170.7-93.6174.5-51.300110.8
229Q51.8Low50.9Low195 Ų195153.9 Ų153.991%0.91181%0.812SS**PPolyproline II helixtrans-86.3140.1171.4-68.6-147.49.300111.8
230L52.6Low51.6Low143 Ų143157.4 Ų157.475%0.74981%0.814SS**  trans-104.4165.2171.8-148.593.5000108.6
231Q56.6Low52.1Low156 Ų156160.6 Ų160.673%0.72981%0.81SS**  trans86103.2-178.1-84.282.512.600115.5
232T56.3Low52.4Low123 Ų123164.8 Ų164.876%0.75581%0.81SS**  82.7131.760.4-52.50000113.1
233D54.2Low53.1Low122 Ų122161.6 Ų161.665%0.65280%0.803SS**  trans87106.1158.3-123.4-118.1000118.3
234R58.6Low53.6Low201 Ų201168.8 Ų168.876%0.75881%0.811SS**  141125.7116.2-74.9-147.2170.8164.1-3.4116.6
235M58.7Low53.8Low166 Ų166171 Ų17182%0.81882%0.822SS**  trans70.1102144.8-65.7-159.4-8300118.5
236Q58.2Low54.5Low273 Ų273168.9 Ų168.9100%1.27683%0.828SS**  -157.60101.9-74.4-149.22500110

Retrieved 236 of 236 residues in 72.4 ms (Link to these results)