A0A087Y530_POEFO Loading...

RNA binding motif protein 24a

AlphaFold DB , UniProt , Accession A0A087Y530, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 233 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
1M51.9Low77.5Confident231 Ų231124.2 Ų124.2100%1.13864%0.635SS**  0102.9056.7-16417900107.9T3M1-T3 PolarHBondContact O-N 3.32Å
2H55.1Low79Confident191 Ų191119.5 Ų119.588%0.88461%0.606SS**  trans-78.2107.9171.9-69.396.1000106.5T4H2-T4 PolarHBondContact O-N 3.5Å; H2-T4 VanDerWaalsContact O-N 3.1Å
3T61.8Low80.4Confident132 Ų132110.3 Ų110.381%0.8156%0.56SS**  trans-64.2107.1164.933.50000106.9M1 Q5M1-T3 PolarHBondContact O-N 3.32Å; T3-Q5 PolarHBondContact O-N 2.91Å
4T70.8Confident81.6Confident141 Ų141106.8 Ų106.887%0.86554%0.539SS*.  trans-55.6104169.9-60.70000107.5H2 K6H2-T4 PolarHBondContact O-N 3.5Å; H2-T4 VanDerWaalsContact O-N 3.1Å; T4-K6 PolarHBondContact O-N 3.31Å
5Q70.4Confident82.6Confident177 Ų17799.7 Ų99.783%0.82750%0.503SS*.  trans-74.1108.9179.8-163.9177.170.500106.8T3T3-Q5 PolarHBondContact O-N 2.91Å
6K82.6Confident83.5Confident111 Ų11193.8 Ų93.848%0.48348%0.475SS..  trans-71.6131.9176.8-166.3-177.3-168.9-167.70108.8T4 T8 E38T4-K6 PolarHBondContact O-N 3.31Å; K6-T8 HydrophobicContact CB-CG2 4.47Å; K6-T8 PolarHBondContact O-N 3.1Å; K6-E38 WeakPolarHBondContact CD-OE1 2.99Å; K6-E38 IonicContact NZ-OE1 3.07Å; K6-E38 PolarHBondContact NZ-OE1 3.48Å; K6-E38 VanDerWaalsContact NZ-OE1 3.07Å; K6-E38 IonicContact NZ-OE2 2.71Å; K6-E38 PolarHBondContact NZ-OE2 2.74Å
7D87.2Confident84.2Confident141 Ų14190.1 Ų90.175%0.75447%0.466SS*.  trans-71.194.1176.4-70-44.4000110.4T9D7-T9 VanDerWaalsContact C-N 3.33Å
8T91.1Very high84.9Confident39 Ų3985.1 Ų85.124%0.23944%0.44CS..  trans-94.317.4179.967.50000113.2K6 Y10 T11 K12 T58K6-T8 HydrophobicContact CB-CG2 4.47Å; K6-T8 PolarHBondContact O-N 3.1Å; T8-Y10 VanDerWaalsContact C-N 3.29Å; T8-Y10 PolarHBondContact O-N 2.88Å; T8-T11 WeakPolarHBondContact CA-OG1 3.19Å; T8-T11 PolarHBondContact O-N 2.87Å; T8-K12 WeakPolarHBondContact O-CB 3.49Å; T8-K12 PolarHBondContact O-N 3.09Å; T8-T58 HydrophobicContact CG2-CG2 3.76Å
9T91.6Very high85.5Confident65 Ų6581.1 Ų81.140%0.39942%0.42SS..THydrogen-bonded Turntrans-56.3-42.6-172.8-570000112.1D7 Y87D7-T9 VanDerWaalsContact C-N 3.33Å; T9-Y87 HydrophobicContact CG2-CD1 4.27Å; T9-Y87 HydrophobicContact CG2-CG 4.26Å; T9-Y87 VanDerWaalsContact O-CD1 3.24Å; T9-Y87 WeakPolarHBondContact O-CD1 3.23Å
10Y94.2Very high86Confident119 Ų11985.2 Ų85.247%0.46743%0.431SS..THydrogen-bonded Turntrans-101.5-1.3-177.2-56.5-72.8000114.3T8 Y87T8-Y10 VanDerWaalsContact C-N 3.29Å; T8-Y10 PolarHBondContact O-N 2.88Å; Y10-Y87 HydrophobicContact CD1-CE1 4.15Å; Y10-Y87 HydrophobicContact CE1-CE1 4.37Å
11T95.8Very high86.4Confident19 Ų1987.8 Ų87.812%0.11744%0.441CS..THydrogen-bonded Turntrans-110.7-16.2179.758.70000112.7T8 M59 R62T8-T11 WeakPolarHBondContact CA-OG1 3.19Å; T8-T11 PolarHBondContact O-N 2.87Å; T11-M59 WeakPolarHBondContact CB-O 3.28Å; T11-M59 PolarHBondContact O-N 2.97Å; T11-R62 HydrophobicContact CG2-CB 4.28Å
12K96Very high88.4Confident68 Ų6877 Ų7730%0.29639%0.389SS..EExtended strand (participates in β ladder)trans-87.7126.9178.4-166.8173.2-172.81640111.3T8 F56 V57 A86T8-K12 WeakPolarHBondContact O-CB 3.49Å; T8-K12 PolarHBondContact O-N 3.09Å; K12-F56 HydrophobicContact CG-CD1 4.48Å; K12-V57 CarbonylContact C-O 3.46Å; K12-V57 WeakPolarHBondContact CA-O 3.32Å; K12-A86 HydrophobicContact CB-CB 4.03Å; K12-A86 HydrophobicContact CD-CB 4.13Å; K12-A86 HydrophobicContact CG-CB 3.71Å; K12-A86 WeakPolarHBondContact O-CB 3.41Å; K12-A86 PolarHBondContact O-N 2.73Å
13I96.5Very high90.3Very high0 Ų071 Ų710%037%0.365CS..EExtended strand (participates in β ladder)trans-114.6132.4-176.1-49.7172.2000108.1V15 F56 V57 M59 A65 A68 V83 N84I13-V15 HydrophobicContact CG2-CG2 4.35Å; I13-F56 VanDerWaalsContact O-CA 3.29Å; I13-F56 WeakPolarHBondContact O-CA 3.5Å; I13-V57 HydrophobicContact CB-CB 4.43Å; I13-V57 PolarHBondContact N-O 3.36Å; I13-V57 PolarHBondContact O-N 3.45Å; I13-M59 HydrophobicContact CD1-CG 3.63Å; I13-M59 HydrophobicContact CD1-SD 4.14Å; I13-M59 HydrophobicContact CG1-CG 4.42Å; I13-A65 HydrophobicContact CD1-CB 3.99Å; I13-A65 HydrophobicContact CG1-CB 4.03Å; I13-A68 HydrophobicContact CD1-CB 3.72Å; I13-V83 HydrophobicContact CG2-CG1 3.25Å; I13-N84 CarbonylContact C-O 3.47Å; I13-N84 WeakPolarHBondContact CA-O 3.33Å; I13-N84 WeakPolarHBondContact CG2-O 3.48Å
14F97Very high91.9Very high61 Ų6168.7 Ų68.727%0.26835%0.348SS..EExtended strand (participates in β ladder)trans-87.5133.5166.8168.6-99.6000109.8Y54 F56 V83 N84 A86F14-Y54 AromaticContact CE2-CD2 3.92Å; F14-Y54 HydrophobicContact CE2-CD2 3.92Å; F14-Y54 HydrophobicContact CE2-CG 4.2Å; F14-F56 HydrophobicContact CB-CD1 4.37Å; F14-F56 HydrophobicContact CB-CE1 4.14Å; F14-F56 HydrophobicContact CD2-CD1 4.48Å; F14-F56 AromaticContact CD2-CE1 3.85Å; F14-F56 HydrophobicContact CD2-CE1 3.85Å; F14-F56 HydrophobicContact CD2-CZ 4.15Å; F14-V83 WeakPolarHBondContact O-CA 3.34Å; F14-N84 PolarHBondContact N-O 2.94Å; F14-N84 PolarHBondContact O-N 2.88Å; F14-A86 HydrophobicContact CB-CB 4.38Å
15V96.9Very high93.1Very high0 Ų065.6 Ų65.60%033%0.332CS..EExtended strand (participates in β ladder)trans-125.6109.5176.7-169.90000108.6I13 L18 L27 F31 Y54 G55 V57 I76 A81 N82 V83I13-V15 HydrophobicContact CG2-CG2 4.35Å; V15-L18 HydrophobicContact CG1-CD1 4.26Å; V15-L18 HydrophobicContact CG1-CD2 3.67Å; V15-L18 HydrophobicContact CG1-CG 4.07Å; V15-L27 HydrophobicContact CB-CD1 4.33Å; V15-L27 HydrophobicContact CG1-CD1 4.27Å; V15-F31 HydrophobicContact CB-CZ 4.49Å; V15-F31 HydrophobicContact CG1-CE2 4.18Å; V15-F31 HydrophobicContact CG1-CZ 4.19Å; V15-F31 HydrophobicContact CG2-CE1 4.41Å; V15-F31 HydrophobicContact CG2-CE2 3.62Å; V15-F31 HydrophobicContact CG2-CZ 3.44Å; V15-F31 VanDerWaalsContact CG2-CZ 3.44Å; V15-Y54 CarbonylContact O-C 3.53Å; V15-Y54 WeakPolarHBondContact O-CA 3.41Å; V15-Y54 WeakPolarHBondContact O-CB 3.4Å; V15-G55 PolarHBondContact N-O 3.12Å; V15-G55 PolarHBondContact O-N 2.95Å; V15-V57 HydrophobicContact CG2-CG2 4.13Å; V15-I76 HydrophobicContact CG1-CD1 3.93Å; V15-A81 HydrophobicContact CG1-CB 4.46Å; V15-N82 CarbonylContact C-O 3.57Å; V15-N82 WeakPolarHBondContact CA-O 3Å; V15-V83 HydrophobicContact CG1-CG2 4.37Å
16G96.5Very high94.2Very high6 Ų659.3 Ų59.36%0.06231%0.307CS..EExtended strand (participates in β ladder)trans-109.1165178.700000112.8L18 A81 N82G16-L18 VanDerWaalsContact C-N 3.32Å; G16-L18 PolarHBondContact O-N 2.89Å; G16-A81 CarbonylContact O-C 3.45Å; G16-A81 WeakPolarHBondContact O-CA 3.3Å; G16-A81 WeakPolarHBondContact O-CB 3.21Å; G16-N82 PolarHBondContact N-O 2.99Å; G16-N82 PolarHBondContact O-N 3.28Å
17G95.9Very high94.8Very high30 Ų3054 Ų5431%0.30928%0.284SS..SBendtrans76.817.6176.400000114.2G53 R79G17-G53 PolarHBondContact N-O 2.94Å; G17-R79 WeakPolarHBondContact O-CD 3.42Å; G17-R79 WeakPolarHBondContact O-CG 3.43Å; G17-R79 PolarHBondContact O-NE 3.38Å
18L96.5Very high95.3Very high0 Ų054 Ų540%027%0.274CS..  trans-66.3145.3177.6-62.2172.8000111V15 G16 T22 L27 V42 G53 I76 R79 A81V15-L18 HydrophobicContact CG1-CD1 4.26Å; V15-L18 HydrophobicContact CG1-CD2 3.67Å; V15-L18 HydrophobicContact CG1-CG 4.07Å; G16-L18 VanDerWaalsContact C-N 3.32Å; G16-L18 PolarHBondContact O-N 2.89Å; L18-T22 HydrophobicContact CD2-CG2 4.4Å; L18-L27 HydrophobicContact CD1-CD1 3.35Å; L18-L27 HydrophobicContact CD2-CD1 4.06Å; L18-L27 HydrophobicContact CG-CD1 4.34Å; L18-V42 HydrophobicContact CD1-CG2 4.47Å; L18-G53 PolarHBondContact N-O 2.98Å; L18-G53 WeakPolarHBondContact O-CA 3.24Å; L18-I76 HydrophobicContact CD2-CB 4.28Å; L18-I76 HydrophobicContact CD2-CD1 3.88Å; L18-I76 HydrophobicContact CD2-CG2 4.13Å; L18-R79 PolarHBondContact O-NH1 2.77Å; L18-A81 HydrophobicContact CD2-CB 4.48Å
19P96.1Very high95.5Very high9 Ų959.7 Ų59.76%0.05830%0.295CS..  trans-57.4146.8164.9-24.633.2000112.2H21 T22 D77 R79P19-H21 WeakPolarHBondContact CB-CE1 3.48Å; P19-H21 PolarHBondContact O-N 3.34Å; P19-H21 VanDerWaalsContact O-N 3.16Å; P19-T22 WeakPolarHBondContact CD-OG1 3.34Å; P19-T22 VanDerWaalsContact O-CB 3.27Å; P19-T22 WeakPolarHBondContact O-CB 3.29Å; P19-T22 PolarHBondContact O-N 3.05Å; P19-T22 PolarHBondContact O-OG1 3.21Å; P19-D77 HydrophobicContact CG-CB 3.99Å; P19-R79 HydrophobicContact CG-CB 3.59Å; P19-R79 HydrophobicContact CG-CG 4.46Å
20Y95.4Very high95.6Very high163 Ų16359.7 Ų59.764%0.63929%0.288SS*.THydrogen-bonded Turntrans-67.4-16.4-178-59.7-40.4000114.6S51Y20-S51 WeakPolarHBondContact CD1-O 3.46Å; Y20-S51 VanDerWaalsContact O-CB 3.24Å; Y20-S51 WeakPolarHBondContact O-CB 3.07Å
21H94.2Very high95.7Very high141 Ų14154.1 Ų54.165%0.65327%0.266SS*.THydrogen-bonded Turntrans-91.9-0.5175.459.5-91.1000113P19 T23P19-H21 WeakPolarHBondContact CB-CE1 3.48Å; P19-H21 PolarHBondContact O-N 3.34Å; P19-H21 VanDerWaalsContact O-N 3.16Å; H21-T23 PolarHBondContact O-N 2.9Å
22T94.4Very high95.7Very high5 Ų559.3 Ų59.33%0.03129%0.289CS..  trans-67.9127.4176.5-46.10000109.7L18 P19 L27L18-T22 HydrophobicContact CD2-CG2 4.4Å; P19-T22 WeakPolarHBondContact CD-OG1 3.34Å; P19-T22 VanDerWaalsContact O-CB 3.27Å; P19-T22 WeakPolarHBondContact O-CB 3.29Å; P19-T22 PolarHBondContact O-N 3.05Å; P19-T22 PolarHBondContact O-OG1 3.21Å; T22-L27 HydrophobicContact CG2-CB 4.36Å
23T95.6Very high95.6Very high64 Ų6461.2 Ų61.239%0.39331%0.306SS..  trans-99.3164.7175.260.40000111.1H21 S25 S26 L27H21-T23 PolarHBondContact O-N 2.9Å; T23-S25 PolarHBondContact O-N 3.46Å; T23-S26 PolarHBondContact O-N 2.71Å; T23-S26 PolarHBondContact OG1-N 3.42Å; T23-S26 PolarHBondContact OG1-OG 2.71Å; T23-L27 WeakPolarHBondContact O-CB 3.24Å; T23-L27 PolarHBondContact O-N 3.18Å; T23-L27 VanDerWaalsContact O-N 3.09Å
24D95.6Very high95.6Very high84 Ų8463.4 Ų63.445%0.44932%0.316SS..Hα-helixtrans-49.7-39.2168.549.2-84.4000112.1L27 R28D24-L27 PolarHBondContact O-N 2.79Å; D24-R28 VanDerWaalsContact O-CB 3.3Å; D24-R28 WeakPolarHBondContact O-CB 3.35Å; D24-R28 PolarHBondContact O-N 3.15Å
25S95.1Very high95.5Very high75 Ų7561.3 Ų61.352%0.52431%0.312SS..Hα-helixtrans-69.9-44.9-177.2-62.60000112.4T23 L27 R28 K29T23-S25 PolarHBondContact O-N 3.46Å; S25-L27 VanDerWaalsContact C-N 3.33Å; S25-R28 PolarHBondContact O-N 2.79Å; S25-K29 WeakPolarHBondContact O-CB 3.42Å; S25-K29 PolarHBondContact O-N 2.97Å
26S94.4Very high95.4Very high45 Ų4567.9 Ų67.932%0.31534%0.342SS..Hα-helixtrans-62.8-43.1174.9-63.10000111.3T23 K29 Y30T23-S26 PolarHBondContact O-N 2.71Å; T23-S26 PolarHBondContact OG1-N 3.42Å; T23-S26 PolarHBondContact OG1-OG 2.71Å; S26-K29 PolarHBondContact O-N 2.77Å; S26-Y30 PolarHBondContact O-N 2.84Å
27L95.5Very high95.4Very high0 Ų068.2 Ų68.20%034%0.343CS..Hα-helixtrans-63.6-45.1177.9-176.2130.6000111V15 L18 T22 T23 D24 S25 K29 Y30 F31 A40 V42 V57V15-L27 HydrophobicContact CB-CD1 4.33Å; V15-L27 HydrophobicContact CG1-CD1 4.27Å; L18-L27 HydrophobicContact CD1-CD1 3.35Å; L18-L27 HydrophobicContact CD2-CD1 4.06Å; L18-L27 HydrophobicContact CG-CD1 4.34Å; T22-L27 HydrophobicContact CG2-CB 4.36Å; T23-L27 WeakPolarHBondContact O-CB 3.24Å; T23-L27 PolarHBondContact O-N 3.18Å; T23-L27 VanDerWaalsContact O-N 3.09Å; D24-L27 PolarHBondContact O-N 2.79Å; S25-L27 VanDerWaalsContact C-N 3.33Å; L27-K29 PolarHBondContact O-N 3.17Å; L27-Y30 PolarHBondContact O-N 2.9Å; L27-F31 HydrophobicContact CG-CD2 4.21Å; L27-F31 HydrophobicContact CG-CE2 4.24Å; L27-F31 WeakPolarHBondContact O-CD2 3.12Å; L27-F31 PolarHBondContact O-N 2.81Å; L27-F31 VanDerWaalsContact O-N 3.16Å; L27-A40 HydrophobicContact CD2-CB 3.81Å; L27-V42 HydrophobicContact CB-CG2 4.37Å; L27-V42 HydrophobicContact CD1-CG2 4.19Å; L27-V57 HydrophobicContact CD2-CG2 3.26Å; L27-V57 HydrophobicContact CG-CG2 4.19Å
28R96Very high95.4Very high141 Ų14171 Ų7153%0.53235%0.348SS..Hα-helixtrans-57.7-48.2174.7-172.5-179.1-178.4169.13.2111.6D24 S25 Y30 F31 E32 I37 A40D24-R28 VanDerWaalsContact O-CB 3.3Å; D24-R28 WeakPolarHBondContact O-CB 3.35Å; D24-R28 PolarHBondContact O-N 3.15Å; S25-R28 PolarHBondContact O-N 2.79Å; R28-Y30 VanDerWaalsContact C-N 3.25Å; R28-Y30 PolarHBondContact O-N 3.07Å; R28-F31 PolarHBondContact O-N 2.76Å; R28-F31 VanDerWaalsContact O-N 3.12Å; R28-E32 WeakPolarHBondContact O-CB 3.43Å; R28-E32 PolarHBondContact O-N 3.34Å; R28-I37 HydrophobicContact CB-CD1 4.28Å; R28-I37 HydrophobicContact CG-CB 4.48Å; R28-I37 HydrophobicContact CG-CD1 3.57Å; R28-I37 HydrophobicContact CG-CG2 4.45Å; R28-I37 WeakPolarHBondContact O-CD1 3.07Å; R28-A40 HydrophobicContact CB-CB 3.97Å; R28-A40 HydrophobicContact CG-CB 4.4Å
29K95.7Very high95.3Very high158 Ų15876.3 Ų76.369%0.68737%0.372SS*.Hα-helixtrans-58.7-36.7179.2-175.8173.4-178.6173.20112.6S25 S26 L27S25-K29 WeakPolarHBondContact O-CB 3.42Å; S25-K29 PolarHBondContact O-N 2.97Å; S26-K29 PolarHBondContact O-N 2.77Å; L27-K29 PolarHBondContact O-N 3.17Å
30Y94.8Very high95.4Very high66 Ų6676.8 Ų76.826%0.25938%0.377SS..Hα-helixtrans-66.8-44175.7-178.2-94.2000112.1S26 L27 R28 V33 F34 P74 I76S26-Y30 PolarHBondContact O-N 2.84Å; L27-Y30 PolarHBondContact O-N 2.9Å; R28-Y30 VanDerWaalsContact C-N 3.25Å; R28-Y30 PolarHBondContact O-N 3.07Å; Y30-V33 VanDerWaalsContact O-CG2 3.28Å; Y30-V33 WeakPolarHBondContact O-CG2 3.49Å; Y30-F34 HydrophobicContact CD1-CE2 4.32Å; Y30-F34 AromaticContact CE1-CE2 3.78Å; Y30-F34 HydrophobicContact CE1-CE2 3.78Å; Y30-F34 HydrophobicContact CE1-CZ 4.34Å; Y30-P74 HydrophobicContact CE1-CB 4.16Å; Y30-P74 HydrophobicContact CE1-CG 4.34Å; Y30-P74 WeakPolarHBondContact OH-CB 3.35Å; Y30-I76 HydrophobicContact CD1-CD1 3.84Å; Y30-I76 HydrophobicContact CD1-CG1 3.97Å; Y30-I76 HydrophobicContact CD2-CG1 4.16Å; Y30-I76 HydrophobicContact CE1-CD1 4.03Å; Y30-I76 HydrophobicContact CE1-CG1 4.02Å; Y30-I76 HydrophobicContact CE2-CG1 4.2Å; Y30-I76 HydrophobicContact CG-CD1 4.3Å; Y30-I76 HydrophobicContact CG-CG1 4.07Å
31F95.5Very high95.4Very high1 Ų171.7 Ų71.70%0.00436%0.363CS..Hα-helixtrans-81.6-16.7-175.7-77.4-83.4000114.4V15 L27 R28 V33 F34 I37 V57 A68 I76 V83V15-F31 HydrophobicContact CB-CZ 4.49Å; V15-F31 HydrophobicContact CG1-CE2 4.18Å; V15-F31 HydrophobicContact CG1-CZ 4.19Å; V15-F31 HydrophobicContact CG2-CE1 4.41Å; V15-F31 HydrophobicContact CG2-CE2 3.62Å; V15-F31 HydrophobicContact CG2-CZ 3.44Å; V15-F31 VanDerWaalsContact CG2-CZ 3.44Å; L27-F31 HydrophobicContact CG-CD2 4.21Å; L27-F31 HydrophobicContact CG-CE2 4.24Å; L27-F31 WeakPolarHBondContact O-CD2 3.12Å; L27-F31 PolarHBondContact O-N 2.81Å; L27-F31 VanDerWaalsContact O-N 3.16Å; R28-F31 PolarHBondContact O-N 2.76Å; R28-F31 VanDerWaalsContact O-N 3.12Å; F31-V33 PolarHBondContact O-N 2.82Å; F31-F34 AromaticContact CD1-CD2 3.94Å; F31-F34 HydrophobicContact CD1-CD2 3.94Å; F31-F34 HydrophobicContact CD1-CE2 4.22Å; F31-F34 PolarHBondContact O-N 3.25Å; F31-I37 HydrophobicContact CB-CD1 3.7Å; F31-I37 HydrophobicContact CB-CG1 4.37Å; F31-V57 HydrophobicContact CB-CG1 4.21Å; F31-V57 HydrophobicContact CD2-CG2 3.72Å; F31-V57 HydrophobicContact CE2-CG2 4.02Å; F31-V57 HydrophobicContact CG-CG1 4.31Å; F31-V57 HydrophobicContact CG-CG2 4.11Å; F31-A68 HydrophobicContact CD1-CB 3.96Å; F31-A68 HydrophobicContact CE1-CB 3.98Å; F31-I76 HydrophobicContact CE2-CD1 4.15Å; F31-I76 HydrophobicContact CZ-CD1 4.46Å; F31-V83 HydrophobicContact CE1-CG1 4.15Å; F31-V83 HydrophobicContact CZ-CG1 4.25Å; F31-V83 HydrophobicContact CZ-CG2 4.1Å
32E95.8Very high95.5Very high128 Ų12865.7 Ų65.760%0.59834%0.336SS*.G310 helixtrans-57.7-30.6178.2179179.3162.800112.2R28 F34 G35 I37R28-E32 WeakPolarHBondContact O-CB 3.43Å; R28-E32 PolarHBondContact O-N 3.34Å; E32-F34 PolarHBondContact O-N 3.34Å; E32-G35 PolarHBondContact O-N 3.4Å; E32-G35 VanDerWaalsContact O-N 3.15Å; E32-I37 HydrophobicContact CB-CD1 4.38Å
33V94.9Very high95.6Very high108 Ų10867.6 Ų67.666%0.65535%0.346SS*.G310 helixtrans-64.3-23.4178.2-50.80000113Y30 F31Y30-V33 VanDerWaalsContact O-CG2 3.28Å; Y30-V33 WeakPolarHBondContact O-CG2 3.49Å; F31-V33 PolarHBondContact O-N 2.82Å
34F94.8Very high95.6Very high46 Ų4668.2 Ų68.220%0.20235%0.349CS..G310 helixtrans-91.7-14.3178.9-54.8-71.5000112.8Y30 F31 E32 A64 R67 A68Y30-F34 HydrophobicContact CD1-CE2 4.32Å; Y30-F34 AromaticContact CE1-CE2 3.78Å; Y30-F34 HydrophobicContact CE1-CE2 3.78Å; Y30-F34 HydrophobicContact CE1-CZ 4.34Å; F31-F34 AromaticContact CD1-CD2 3.94Å; F31-F34 HydrophobicContact CD1-CD2 3.94Å; F31-F34 HydrophobicContact CD1-CE2 4.22Å; F31-F34 PolarHBondContact O-N 3.25Å; E32-F34 PolarHBondContact O-N 3.34Å; F34-A64 VanDerWaalsContact O-CB 3.3Å; F34-A64 WeakPolarHBondContact O-CB 3.49Å; F34-R67 HydrophobicContact CD1-CB 4.37Å; F34-R67 PolarHBondContact O-NE 2.96Å; F34-R67 PolarHBondContact O-NH2 3.31Å; F34-A68 HydrophobicContact CB-CB 4.24Å; F34-A68 HydrophobicContact CD2-CB 3.96Å; F34-A68 HydrophobicContact CG-CB 4Å
35G94.9Very high95.6Very high17 Ų1766.8 Ų66.818%0.17534%0.342CS..SBendtrans150.4-174.8179.100000113.3E32E32-G35 PolarHBondContact O-N 3.4Å; E32-G35 VanDerWaalsContact O-N 3.15Å
36E96.4Very high95.5Very high138 Ų13874.8 Ų74.865%0.64536%0.36SS*.  trans-72.3136.4180-165.4177.4174.400111.6V60E36-V60 HydrophobicContact CB-CB 4.19Å; E36-V60 HydrophobicContact CB-CG2 3.94Å; E36-V60 HydrophobicContact CG-CG2 3.78Å; E36-V60 PolarHBondContact O-N 3.28Å
37I96.4Very high95.6Very high13 Ų1381.2 Ų81.27%0.06739%0.386CS..EExtended strand (participates in β ladder)trans-104.9124.9-176.9-62.2167.6000109R28 F31 E32 A40 V57 M59R28-I37 HydrophobicContact CB-CD1 4.28Å; R28-I37 HydrophobicContact CG-CB 4.48Å; R28-I37 HydrophobicContact CG-CD1 3.57Å; R28-I37 HydrophobicContact CG-CG2 4.45Å; R28-I37 WeakPolarHBondContact O-CD1 3.07Å; F31-I37 HydrophobicContact CB-CD1 3.7Å; F31-I37 HydrophobicContact CB-CG1 4.37Å; E32-I37 HydrophobicContact CB-CD1 4.38Å; I37-A40 HydrophobicContact CG2-CB 4.1Å; I37-V57 HydrophobicContact CG1-CG1 4.31Å; I37-V57 HydrophobicContact CG2-CG1 3.98Å; I37-M59 HydrophobicContact CG1-CE 3.99Å; I37-M59 HydrophobicContact CG1-SD 3.92Å
38E95.6Very high95.5Very high90 Ų9085 Ų8542%0.42141%0.409SS..EExtended strand (participates in β ladder)trans-77.4-46.3172.9-176.5169.5-174.300110.5K6 T58 V60K6-E38 WeakPolarHBondContact CD-OE1 2.99Å; K6-E38 IonicContact NZ-OE1 3.07Å; K6-E38 PolarHBondContact NZ-OE1 3.48Å; K6-E38 VanDerWaalsContact NZ-OE1 3.07Å; K6-E38 IonicContact NZ-OE2 2.71Å; K6-E38 PolarHBondContact NZ-OE2 2.74Å; E38-T58 HydrophobicContact CB-CG2 4.17Å; E38-T58 WeakPolarHBondContact CB-O 3.32Å; E38-T58 HydrophobicContact CG-CG2 4.49Å; E38-T58 PolarHBondContact N-O 2.82Å; E38-V60 HydrophobicContact CB-CG2 4.04Å
39E95.3Very high95.4Very high110 Ų11080.9 Ų80.951%0.51441%0.41SS..EExtended strand (participates in β ladder)trans-152.1138.4-178.5-164.4-173.4-165.200111.1V41 V57 T58E39-V41 HydrophobicContact CG-CG2 3.84Å; E39-V57 CarbonylContact O-C 3.48Å; E39-V57 WeakPolarHBondContact O-CA 3.29Å; E39-T58 PolarHBondContact N-O 3.47Å; E39-T58 PolarHBondContact O-N 3.09Å
40A96.3Very high95.3Very high19 Ų1980.5 Ų80.516%0.15741%0.408CS..EExtended strand (participates in β ladder)trans-132.8120.1173.600000109.5L27 R28 I37L27-A40 HydrophobicContact CD2-CB 3.81Å; R28-A40 HydrophobicContact CB-CB 3.97Å; R28-A40 HydrophobicContact CG-CB 4.4Å; I37-A40 HydrophobicContact CG2-CB 4.1Å
41V96.1Very high95.4Very high56 Ų5678 Ų7834%0.33940%0.401SS..EExtended strand (participates in β ladder)trans-134.8123.3-175.4-172.40000110.5E39 I43 G55 F56E39-V41 HydrophobicContact CG-CG2 3.84Å; V41-I43 HydrophobicContact CG1-CD1 4.15Å; V41-G55 CarbonylContact O-C 3.54Å; V41-G55 WeakPolarHBondContact O-CA 3.39Å; V41-F56 PolarHBondContact N-O 3.16Å; V41-F56 PolarHBondContact O-N 2.95Å
42V96.7Very high95.4Very high15 Ų1584.6 Ų84.69%0.09143%0.426CS..EExtended strand (participates in β ladder)trans-87.6127.9166.7176.90000108.3L18 L27 T44 S51L18-V42 HydrophobicContact CD1-CG2 4.47Å; L27-V42 HydrophobicContact CB-CG2 4.37Å; L27-V42 HydrophobicContact CD1-CG2 4.19Å; V42-T44 PolarHBondContact O-N 3.36Å; V42-S51 VanDerWaalsContact CG1-OG 3.29Å; V42-S51 WeakPolarHBondContact CG1-OG 3.43Å
43I95.8Very high95.3Very high46 Ų4678.8 Ų78.824%0.23640%0.4CS..EExtended strand (participates in β ladder)trans-81.2118.9179.2-54.5-56.8000109V41 R52 Y54 F56V41-I43 HydrophobicContact CG1-CD1 4.15Å; I43-R52 WeakPolarHBondContact O-CB 3.14Å; I43-R52 PolarHBondContact O-N 2.96Å; I43-Y54 HydrophobicContact CB-CD2 4.23Å; I43-Y54 HydrophobicContact CB-CE1 4.32Å; I43-Y54 HydrophobicContact CB-CE2 3.7Å; I43-Y54 HydrophobicContact CG1-CD2 4Å; I43-Y54 HydrophobicContact CG1-CE2 3.47Å; I43-Y54 VanDerWaalsContact CG1-CE2 3.47Å; I43-Y54 HydrophobicContact CG2-CE1 4.48Å; I43-Y54 HydrophobicContact CG2-CE2 4.19Å; I43-Y54 WeakPolarHBondContact CG2-OH 3.36Å; I43-Y54 PolarHBondContact N-O 2.84Å; I43-F56 HydrophobicContact CD1-CD2 4.19Å; I43-F56 HydrophobicContact CD1-CE2 4.45Å; I43-F56 HydrophobicContact CG1-CD2 4.1Å; I43-F56 HydrophobicContact CG1-CE2 4.12Å
44T95.8Very high95.4Very high76 Ų7676 Ų7647%0.46638%0.378SS..EExtended strand (participates in β ladder)trans-99.7156.8172.756.30000110.7V42 K50V42-T44 PolarHBondContact O-N 3.36Å; T44-K50 CarbonylContact C-O 3.57Å; T44-K50 VanDerWaalsContact CA-O 3.23Å; T44-K50 WeakPolarHBondContact CA-O 3.19Å; T44-K50 WeakPolarHBondContact CB-O 3.27Å
45D95.5Very high95.5Very high55 Ų5573.8 Ų73.829%0.29437%0.369SS..PPolyproline II helixtrans-73.3129.2168.717218.1000109.5Q47 T48 G49 K50 R52D45-Q47 VanDerWaalsContact C-N 3.26Å; D45-Q47 PolarHBondContact O-N 3.43Å; D45-Q47 PolarHBondContact OD1-N 2.85Å; D45-T48 WeakPolarHBondContact CB-OG1 3.49Å; D45-T48 WeakPolarHBondContact OD2-CB 3.44Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.3Å; D45-T48 PolarHBondContact OD2-N 3.46Å; D45-T48 PolarHBondContact OD2-OG1 3.11Å; D45-G49 WeakPolarHBondContact O-CA 3.3Å; D45-G49 PolarHBondContact O-N 3.03Å; D45-K50 PolarHBondContact N-O 3.43Å; D45-R52 HydrophobicContact CB-CG 4.31Å
46R93.8Very high95.6Very high242 Ų24275.7 Ų75.791%0.91337%0.372SS*.THydrogen-bonded Turntrans-66.3-27.1-178-173.2175.164.8-178.40.2112.9
47Q95.5Very high95.6Very high180 Ų18069.1 Ų69.184%0.84134%0.341SS*.THydrogen-bonded Turntrans-83.1-46.3-179.7-66.1-172.3-4.300111.9D45D45-Q47 VanDerWaalsContact C-N 3.26Å; D45-Q47 PolarHBondContact O-N 3.43Å; D45-Q47 PolarHBondContact OD1-N 2.85Å
48T94.3Very high95.6Very high80 Ų8068.8 Ų68.849%0.49134%0.34SS..THydrogen-bonded Turntrans-97.3-13.9-173.563.20000114.1D45 K50D45-T48 WeakPolarHBondContact CB-OG1 3.49Å; D45-T48 WeakPolarHBondContact OD2-CB 3.44Å; D45-T48 WeakPolarHBondContact OD2-CG2 3.3Å; D45-T48 PolarHBondContact OD2-N 3.46Å; D45-T48 PolarHBondContact OD2-OG1 3.11Å; T48-K50 PolarHBondContact O-N 3.03Å; T48-K50 VanDerWaalsContact O-N 3.15Å; T48-K50 PolarHBondContact OG1-N 3.16Å
49G93.5Very high95.6Very high54 Ų5464.5 Ų64.556%0.55732%0.32SS*.  trans69.2-0.6-17300000114.3D45D45-G49 WeakPolarHBondContact O-CA 3.3Å; D45-G49 PolarHBondContact O-N 3.03Å
50K93.9Very high95.7Very high150 Ų15061.7 Ų61.765%0.65231%0.31SS*.  trans-79.6146-175.9-62.7-174.1179.4-168.70111T44 D45 T48 R52T44-K50 CarbonylContact C-O 3.57Å; T44-K50 VanDerWaalsContact CA-O 3.23Å; T44-K50 WeakPolarHBondContact CA-O 3.19Å; T44-K50 WeakPolarHBondContact CB-O 3.27Å; D45-K50 PolarHBondContact N-O 3.43Å; T48-K50 PolarHBondContact O-N 3.03Å; T48-K50 VanDerWaalsContact O-N 3.15Å; T48-K50 PolarHBondContact OG1-N 3.16Å; K50-R52 PolarHBondContact O-N 3.26Å
51S95.9Very high95.6Very high14 Ų1464.7 Ų64.710%0.09832%0.323CS..EExtended strand (participates in β ladder)trans-59.3135.9173.1176.90000111Y20 V42 G53Y20-S51 WeakPolarHBondContact CD1-O 3.46Å; Y20-S51 VanDerWaalsContact O-CB 3.24Å; Y20-S51 WeakPolarHBondContact O-CB 3.07Å; V42-S51 VanDerWaalsContact CG1-OG 3.29Å; V42-S51 WeakPolarHBondContact CG1-OG 3.43Å; S51-G53 PolarHBondContact O-N 3.29Å; S51-G53 PolarHBondContact OG-N 3.24Å; S51-G53 VanDerWaalsContact OG-N 3.11Å
52R95.4Very high95.6Very high140 Ų14068.7 Ų68.753%0.52833%0.332SS..EExtended strand (participates in β ladder)trans-80.83.3173.2-61.3-173.863.5-171.4-7.3112.7I43 D45 K50 Y54I43-R52 WeakPolarHBondContact O-CB 3.14Å; I43-R52 PolarHBondContact O-N 2.96Å; D45-R52 HydrophobicContact CB-CG 4.31Å; K50-R52 PolarHBondContact O-N 3.26Å; R52-Y54 VanDerWaalsContact C-N 3.31Å; R52-Y54 HydrophobicContact CB-CD1 3.65Å; R52-Y54 HydrophobicContact CB-CE1 3.4Å; R52-Y54 HydrophobicContact CG-CE1 4.26Å; R52-Y54 PolarHBondContact NH1-OH 2.74Å
53G95.6Very high95.5Very high6 Ų671.1 Ų71.16%0.06235%0.35CS..EExtended strand (participates in β ladder)trans74.520.8-179.900000113.8G17 L18 S51G17-G53 PolarHBondContact N-O 2.94Å; L18-G53 PolarHBondContact N-O 2.98Å; L18-G53 WeakPolarHBondContact O-CA 3.24Å; S51-G53 PolarHBondContact O-N 3.29Å; S51-G53 PolarHBondContact OG-N 3.24Å; S51-G53 VanDerWaalsContact OG-N 3.11Å
54Y96.6Very high95.5Very high49 Ų4969 Ų6919%0.19234%0.339CS..EExtended strand (participates in β ladder)trans-148.4159.2172.273.5-87.1000111.4F14 V15 I43 R52 F56F14-Y54 AromaticContact CE2-CD2 3.92Å; F14-Y54 HydrophobicContact CE2-CD2 3.92Å; F14-Y54 HydrophobicContact CE2-CG 4.2Å; V15-Y54 CarbonylContact O-C 3.53Å; V15-Y54 WeakPolarHBondContact O-CA 3.41Å; V15-Y54 WeakPolarHBondContact O-CB 3.4Å; I43-Y54 HydrophobicContact CB-CD2 4.23Å; I43-Y54 HydrophobicContact CB-CE1 4.32Å; I43-Y54 HydrophobicContact CB-CE2 3.7Å; I43-Y54 HydrophobicContact CG1-CD2 4Å; I43-Y54 HydrophobicContact CG1-CE2 3.47Å; I43-Y54 VanDerWaalsContact CG1-CE2 3.47Å; I43-Y54 HydrophobicContact CG2-CE1 4.48Å; I43-Y54 HydrophobicContact CG2-CE2 4.19Å; I43-Y54 WeakPolarHBondContact CG2-OH 3.36Å; I43-Y54 PolarHBondContact N-O 2.84Å; R52-Y54 VanDerWaalsContact C-N 3.31Å; R52-Y54 HydrophobicContact CB-CD1 3.65Å; R52-Y54 HydrophobicContact CB-CE1 3.4Å; R52-Y54 HydrophobicContact CG-CE1 4.26Å; R52-Y54 PolarHBondContact NH1-OH 2.74Å; Y54-F56 HydrophobicContact CD2-CE2 4.29Å; Y54-F56 AromaticContact CE2-CE2 3.98Å; Y54-F56 HydrophobicContact CE2-CE2 3.98Å; Y54-F56 HydrophobicContact CE2-CZ 4.47Å
55G96.3Very high95.5Very high0 Ų065.3 Ų65.30%032%0.317CS..EExtended strand (participates in β ladder)trans-151.2177.5179.700000112.2V15 V41V15-G55 PolarHBondContact N-O 3.12Å; V15-G55 PolarHBondContact O-N 2.95Å; V41-G55 CarbonylContact O-C 3.54Å; V41-G55 WeakPolarHBondContact O-CA 3.39Å
56F96.7Very high95.5Very high56 Ų5666.2 Ų66.225%0.24632%0.322CS..EExtended strand (participates in β ladder)trans-127.2141.1173.6-64.7-80.5000110K12 I13 F14 V41 I43 Y54 A86K12-F56 HydrophobicContact CG-CD1 4.48Å; I13-F56 VanDerWaalsContact O-CA 3.29Å; I13-F56 WeakPolarHBondContact O-CA 3.5Å; F14-F56 HydrophobicContact CB-CD1 4.37Å; F14-F56 HydrophobicContact CB-CE1 4.14Å; F14-F56 HydrophobicContact CD2-CD1 4.48Å; F14-F56 AromaticContact CD2-CE1 3.85Å; F14-F56 HydrophobicContact CD2-CE1 3.85Å; F14-F56 HydrophobicContact CD2-CZ 4.15Å; V41-F56 PolarHBondContact N-O 3.16Å; V41-F56 PolarHBondContact O-N 2.95Å; I43-F56 HydrophobicContact CD1-CD2 4.19Å; I43-F56 HydrophobicContact CD1-CE2 4.45Å; I43-F56 HydrophobicContact CG1-CD2 4.1Å; I43-F56 HydrophobicContact CG1-CE2 4.12Å; Y54-F56 HydrophobicContact CD2-CE2 4.29Å; Y54-F56 AromaticContact CE2-CE2 3.98Å; Y54-F56 HydrophobicContact CE2-CE2 3.98Å; Y54-F56 HydrophobicContact CE2-CZ 4.47Å; F56-A86 HydrophobicContact CD1-CB 4.13Å; F56-A86 HydrophobicContact CE1-CB 4.15Å
57V96.9Very high95.6Very high0 Ų061 Ų610%030%0.302CS..EExtended strand (participates in β ladder)trans-123126.4172.4-175.40000108K12 I13 V15 L27 F31 I37 E39 M59K12-V57 CarbonylContact C-O 3.46Å; K12-V57 WeakPolarHBondContact CA-O 3.32Å; I13-V57 HydrophobicContact CB-CB 4.43Å; I13-V57 PolarHBondContact N-O 3.36Å; I13-V57 PolarHBondContact O-N 3.45Å; V15-V57 HydrophobicContact CG2-CG2 4.13Å; L27-V57 HydrophobicContact CD2-CG2 3.26Å; L27-V57 HydrophobicContact CG-CG2 4.19Å; F31-V57 HydrophobicContact CB-CG1 4.21Å; F31-V57 HydrophobicContact CD2-CG2 3.72Å; F31-V57 HydrophobicContact CE2-CG2 4.02Å; F31-V57 HydrophobicContact CG-CG1 4.31Å; F31-V57 HydrophobicContact CG-CG2 4.11Å; I37-V57 HydrophobicContact CG1-CG1 4.31Å; I37-V57 HydrophobicContact CG2-CG1 3.98Å; E39-V57 CarbonylContact O-C 3.48Å; E39-V57 WeakPolarHBondContact O-CA 3.29Å; V57-M59 HydrophobicContact CG1-SD 3.55Å; V57-M59 VanDerWaalsContact CG1-SD 3.55Å
58T96.1Very high95.6Very high6 Ų652.6 Ų52.64%0.03726%0.263CS..EExtended strand (participates in β ladder)trans-103.1115170.6-52.50000107.3T8 E38 E39T8-T58 HydrophobicContact CG2-CG2 3.76Å; E38-T58 HydrophobicContact CB-CG2 4.17Å; E38-T58 WeakPolarHBondContact CB-O 3.32Å; E38-T58 HydrophobicContact CG-CG2 4.49Å; E38-T58 PolarHBondContact N-O 2.82Å; E39-T58 PolarHBondContact N-O 3.47Å; E39-T58 PolarHBondContact O-N 3.09Å
59M96.8Very high95.6Very high0 Ų050.3 Ų50.30%025%0.25CC..EExtended strand (participates in β ladder)trans-81.8151.2174.3-55-55.5-71.200110.2T11 I13 I37 V57 D61 A64 A65T11-M59 WeakPolarHBondContact CB-O 3.28Å; T11-M59 PolarHBondContact O-N 2.97Å; I13-M59 HydrophobicContact CD1-CG 3.63Å; I13-M59 HydrophobicContact CD1-SD 4.14Å; I13-M59 HydrophobicContact CG1-CG 4.42Å; I37-M59 HydrophobicContact CG1-CE 3.99Å; I37-M59 HydrophobicContact CG1-SD 3.92Å; V57-M59 HydrophobicContact CG1-SD 3.55Å; V57-M59 VanDerWaalsContact CG1-SD 3.55Å; M59-D61 WeakPolarHBondContact CB-O 3.37Å; M59-A64 HydrophobicContact CB-CB 4.18Å; M59-A64 HydrophobicContact CE-CB 3.66Å; M59-A64 HydrophobicContact CG-CB 4.34Å; M59-A65 HydrophobicContact CB-CB 4.3Å; M59-A65 HydrophobicContact CG-CB 3.98Å
60V95.6Very high95.6Very high52 Ų5256.4 Ų56.432%0.31526%0.261SS..SBendtrans-66.6-44.2171.4177.30000110E36 E38E36-V60 HydrophobicContact CB-CB 4.19Å; E36-V60 HydrophobicContact CB-CG2 3.94Å; E36-V60 HydrophobicContact CG-CG2 3.78Å; E36-V60 PolarHBondContact O-N 3.28Å; E38-V60 HydrophobicContact CB-CG2 4.04Å
61D95.3Very high95.6Very high81 Ų8153.2 Ų53.243%0.43325%0.251SS..SBendtrans-104.1140.6-178.3-67.2-47000112.8M59 S63 A64 A65M59-D61 WeakPolarHBondContact CB-O 3.37Å; D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 PolarHBondContact O-N 3.07Å; D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.33Å; D61-A64 PolarHBondContact O-N 2.82Å; D61-A65 PolarHBondContact O-N 2.94Å
62R95.1Very high95.4Very high140 Ų14055.2 Ų55.253%0.52826%0.264SS..Hα-helixtrans-61.7-39170.6178.6-179.8171.7-179.91.5112.2T11 A64 A65 D66T11-R62 HydrophobicContact CG2-CB 4.28Å; R62-A64 PolarHBondContact O-N 2.73Å; R62-A65 WeakPolarHBondContact O-CB 3.49Å; R62-A65 PolarHBondContact O-N 2.74Å; R62-A65 VanDerWaalsContact O-N 3.1Å; R62-D66 IonicContact NE-OD2 3.82Å; R62-D66 PolarHBondContact O-N 3.24Å
63S95.6Very high95.5Very high67 Ų6752 Ų5247%0.46926%0.257SS..Hα-helixtrans-62.8-33.3179.3610000112.2D61 R67D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 PolarHBondContact O-N 3.07Å; S63-R67 WeakPolarHBondContact O-CG 3.36Å; S63-R67 PolarHBondContact O-N 2.96Å; S63-R67 VanDerWaalsContact O-N 3.1Å
64A96Very high95.4Very high0 Ų052 Ų520%026%0.256CS..Hα-helixtrans-67.8-40.1173.900000111.4F34 M59 D61 R62 R67 A68F34-A64 VanDerWaalsContact O-CB 3.3Å; F34-A64 WeakPolarHBondContact O-CB 3.49Å; M59-A64 HydrophobicContact CB-CB 4.18Å; M59-A64 HydrophobicContact CE-CB 3.66Å; M59-A64 HydrophobicContact CG-CB 4.34Å; D61-A64 HydrophobicContact CB-CB 4.14Å; D61-A64 WeakPolarHBondContact O-CB 3.33Å; D61-A64 PolarHBondContact O-N 2.82Å; R62-A64 PolarHBondContact O-N 2.73Å; A64-R67 PolarHBondContact O-N 2.95Å; A64-A68 WeakPolarHBondContact O-CB 3.43Å; A64-A68 PolarHBondContact O-N 3Å
65A95.8Very high95.4Very high0 Ų055.3 Ų55.30%028%0.276CS..Hα-helixtrans-64.4-4417500000112.8I13 M59 D61 R62 R67 A68 C69 L85I13-A65 HydrophobicContact CD1-CB 3.99Å; I13-A65 HydrophobicContact CG1-CB 4.03Å; M59-A65 HydrophobicContact CB-CB 4.3Å; M59-A65 HydrophobicContact CG-CB 3.98Å; D61-A65 PolarHBondContact O-N 2.94Å; R62-A65 WeakPolarHBondContact O-CB 3.49Å; R62-A65 PolarHBondContact O-N 2.74Å; R62-A65 VanDerWaalsContact O-N 3.1Å; A65-R67 VanDerWaalsContact C-N 3.3Å; A65-R67 PolarHBondContact O-N 3.37Å; A65-A68 PolarHBondContact O-N 2.74Å; A65-C69 PolarHBondContact O-N 3.34Å; A65-L85 HydrophobicContact CB-CD2 4.38Å
66D94.9Very high95.3Very high73 Ų7355.5 Ų55.539%0.3928%0.277SS..Hα-helixtrans-62.6-37.4176.7-71.6-26.8000111.8R62 C69 K70R62-D66 IonicContact NE-OD2 3.82Å; R62-D66 PolarHBondContact O-N 3.24Å; D66-C69 PolarHBondContact O-N 3.29Å; D66-K70 PolarHBondContact O-N 2.95Å
67R95.8Very high95Very high133 Ų13356.5 Ų56.550%0.50229%0.285SS..Hα-helixtrans-64.5-44174-76.7-173.3-69.7172.9-7112.3F34 S63 A64 A65 C69 K70F34-R67 HydrophobicContact CD1-CB 4.37Å; F34-R67 PolarHBondContact O-NE 2.96Å; F34-R67 PolarHBondContact O-NH2 3.31Å; S63-R67 WeakPolarHBondContact O-CG 3.36Å; S63-R67 PolarHBondContact O-N 2.96Å; S63-R67 VanDerWaalsContact O-N 3.1Å; A64-R67 PolarHBondContact O-N 2.95Å; A65-R67 VanDerWaalsContact C-N 3.3Å; A65-R67 PolarHBondContact O-N 3.37Å; R67-C69 VanDerWaalsContact C-N 3.31Å; R67-C69 PolarHBondContact O-N 3.44Å; R67-K70 WeakPolarHBondContact O-CB 3.36Å; R67-K70 PolarHBondContact O-N 3.1Å
68A94.4Very high94.9Very high3 Ų360.1 Ų60.13%0.02532%0.322CS..Hα-helixtrans-66.1-33.1177.900000112.5I13 F31 F34 A64 A65 K70I13-A68 HydrophobicContact CD1-CB 3.72Å; F31-A68 HydrophobicContact CD1-CB 3.96Å; F31-A68 HydrophobicContact CE1-CB 3.98Å; F34-A68 HydrophobicContact CB-CB 4.24Å; F34-A68 HydrophobicContact CD2-CB 3.96Å; F34-A68 HydrophobicContact CG-CB 4Å; A64-A68 WeakPolarHBondContact O-CB 3.43Å; A64-A68 PolarHBondContact O-N 3Å; A65-A68 PolarHBondContact O-N 2.74Å; A68-K70 VanDerWaalsContact C-N 3.3Å
69C94.3Very high94.8Very high32 Ų3265.1 Ų65.122%0.21634%0.34CS..THydrogen-bonded Turntrans-81.4-3.9175.1-69.80000114.2A65 D66 R67 D71A65-C69 PolarHBondContact O-N 3.34Å; D66-C69 PolarHBondContact O-N 3.29Å; R67-C69 VanDerWaalsContact C-N 3.31Å; R67-C69 PolarHBondContact O-N 3.44Å; C69-D71 VanDerWaalsContact C-N 3.32Å
70K95.1Very high94.8Very high183 Ų18372.1 Ų72.180%0.79637%0.371SS*.THydrogen-bonded Turntrans-66.9-34.9177.9-169.5171.5-1801790112.2D66 R67 A68 P72D66-K70 PolarHBondContact O-N 2.95Å; R67-K70 WeakPolarHBondContact O-CB 3.36Å; R67-K70 PolarHBondContact O-N 3.1Å; A68-K70 VanDerWaalsContact C-N 3.3Å; K70-P72 WeakPolarHBondContact O-CD 3.18Å
71D93.3Very high94.9Very high83 Ų8369.8 Ų69.844%0.44436%0.357SS..SBendtrans-104103.5167.7-176.83.7000109.1C69 N73 P74C69-D71 VanDerWaalsContact C-N 3.32Å; D71-N73 PolarHBondContact O-N 3.3Å; D71-N73 PolarHBondContact OD1-N 3.15Å; D71-P74 WeakPolarHBondContact O-CD 3.49Å
72P92.9Very high94.9Very high55 Ų5569 Ų6936%0.35735%0.352SS..SBendtrans-73.2-14.4-179.129.9-35.2000112.9K70 P74 N82 V83K70-P72 WeakPolarHBondContact O-CD 3.18Å; P72-P74 VanDerWaalsContact C-CD 3.47Å; P72-N82 CarbonylContact O-C 3.57Å; P72-N82 VanDerWaalsContact O-CA 3.31Å; P72-N82 WeakPolarHBondContact O-CA 3.49Å; P72-V83 PolarHBondContact O-N 3.14Å
73N96.1Very high94.9Very high74 Ų7462.3 Ų62.340%0.39633%0.327SS..SBendtrans-131.457.9-173.7-60.5125.7000114.6D71 K80 A81D71-N73 PolarHBondContact O-N 3.3Å; D71-N73 PolarHBondContact OD1-N 3.15Å; N73-K80 HydrophobicContact CB-CD 4.22Å; N73-K80 HydrophobicContact CB-CG 4.23Å; N73-A81 WeakPolarHBondContact CA-O 3.22Å; N73-A81 PolarHBondContact ND2-O 3.21Å
74P94.9Very high94.9Very high5 Ų562 Ų623%0.03232%0.321CS..  trans-71159.5178.829-32.9000112.7Y30 D71 P72 A81 V83Y30-P74 HydrophobicContact CE1-CB 4.16Å; Y30-P74 HydrophobicContact CE1-CG 4.34Å; Y30-P74 WeakPolarHBondContact OH-CB 3.35Å; D71-P74 WeakPolarHBondContact O-CD 3.49Å; P72-P74 VanDerWaalsContact C-CD 3.47Å; P74-A81 HydrophobicContact CG-CB 4.46Å; P74-A81 PolarHBondContact O-N 3.35Å; P74-V83 HydrophobicContact CG-CG2 3.39Å
75I95.2Very high94.9Very high119 Ų11962.9 Ų62.961%0.6133%0.325SS*.EExtended strand (participates in β ladder)trans-97.6114173.5-57.8176.1000108.7R79I75-R79 WeakPolarHBondContact CA-O 3.33Å
76I93.6Very high94.8Very high3 Ų363.5 Ų63.52%0.01533%0.33CS..EExtended strand (participates in β ladder)trans-115.3126178.5-55.9176.7000107.9V15 L18 Y30 F31 G78 R79 A81V15-I76 HydrophobicContact CG1-CD1 3.93Å; L18-I76 HydrophobicContact CD2-CB 4.28Å; L18-I76 HydrophobicContact CD2-CD1 3.88Å; L18-I76 HydrophobicContact CD2-CG2 4.13Å; Y30-I76 HydrophobicContact CD1-CD1 3.84Å; Y30-I76 HydrophobicContact CD1-CG1 3.97Å; Y30-I76 HydrophobicContact CD2-CG1 4.16Å; Y30-I76 HydrophobicContact CE1-CD1 4.03Å; Y30-I76 HydrophobicContact CE1-CG1 4.02Å; Y30-I76 HydrophobicContact CE2-CG1 4.2Å; Y30-I76 HydrophobicContact CG-CD1 4.3Å; Y30-I76 HydrophobicContact CG-CG1 4.07Å; F31-I76 HydrophobicContact CE2-CD1 4.15Å; F31-I76 HydrophobicContact CZ-CD1 4.46Å; I76-G78 PolarHBondContact O-N 3.19Å; I76-G78 VanDerWaalsContact O-N 3.12Å; I76-R79 PolarHBondContact N-O 3.02Å; I76-R79 PolarHBondContact O-N 3.02Å; I76-R79 VanDerWaalsContact O-O 3.14Å; I76-A81 HydrophobicContact CD1-CB 3.86Å; I76-A81 HydrophobicContact CG1-CB 4.12Å
77D91.4Very high94.7Very high77 Ų7765 Ų6541%0.41233%0.331SS..THydrogen-bonded Turntrans50.138.5-179.7-66.4-30.3000113.2P19 R79P19-D77 HydrophobicContact CG-CB 3.99Å; D77-R79 VanDerWaalsContact C-N 3.33Å; D77-R79 PolarHBondContact O-N 3.37Å
78G94Very high94.5Very high76 Ų7663.8 Ų63.878%0.78433%0.334SS*.THydrogen-bonded Turntrans79.36.5178.300000115.5I76I76-G78 PolarHBondContact O-N 3.19Å; I76-G78 VanDerWaalsContact O-N 3.12Å
79R95.1Very high94.1Very high112 Ų11266.5 Ų66.542%0.42336%0.362SS..EExtended strand (participates in β ladder)trans-121.5139.4176.1-171.4174.6-173.8-165.77.9111.3G17 L18 P19 I75 I76 D77 A81G17-R79 WeakPolarHBondContact O-CD 3.42Å; G17-R79 WeakPolarHBondContact O-CG 3.43Å; G17-R79 PolarHBondContact O-NE 3.38Å; L18-R79 PolarHBondContact O-NH1 2.77Å; P19-R79 HydrophobicContact CG-CB 3.59Å; P19-R79 HydrophobicContact CG-CG 4.46Å; I75-R79 WeakPolarHBondContact CA-O 3.33Å; I76-R79 PolarHBondContact N-O 3.02Å; I76-R79 PolarHBondContact O-N 3.02Å; I76-R79 VanDerWaalsContact O-O 3.14Å; D77-R79 VanDerWaalsContact C-N 3.33Å; D77-R79 PolarHBondContact O-N 3.37Å; R79-A81 PolarHBondContact O-N 2.84Å
80K96.6Very high93.4Very high147 Ų14768 Ų6864%0.63938%0.377SS*.EExtended strand (participates in β ladder)trans-67.5116.4174-168.2174.872.7174.60110.1N73N73-K80 HydrophobicContact CB-CD 4.22Å; N73-K80 HydrophobicContact CB-CG 4.23Å
81A96.6Very high92.4Very high3 Ų368.1 Ų68.13%0.02538%0.378CS..  trans-94.2172.8175.800000111.1V15 G16 L18 N73 P74 I76 R79V15-A81 HydrophobicContact CG1-CB 4.46Å; G16-A81 CarbonylContact O-C 3.45Å; G16-A81 WeakPolarHBondContact O-CA 3.3Å; G16-A81 WeakPolarHBondContact O-CB 3.21Å; L18-A81 HydrophobicContact CD2-CB 4.48Å; N73-A81 WeakPolarHBondContact CA-O 3.22Å; N73-A81 PolarHBondContact ND2-O 3.21Å; P74-A81 HydrophobicContact CG-CB 4.46Å; P74-A81 PolarHBondContact O-N 3.35Å; I76-A81 HydrophobicContact CD1-CB 3.86Å; I76-A81 HydrophobicContact CG1-CB 4.12Å; R79-A81 PolarHBondContact O-N 2.84Å
82N95.7Very high91Very high63 Ų6370 Ų7034%0.33739%0.394SS..EExtended strand (participates in β ladder)trans-125.9126.3172.2180-38.8000108.4V15 G16 P72 N84V15-N82 CarbonylContact C-O 3.57Å; V15-N82 WeakPolarHBondContact CA-O 3Å; G16-N82 PolarHBondContact N-O 2.99Å; G16-N82 PolarHBondContact O-N 3.28Å; P72-N82 CarbonylContact O-C 3.57Å; P72-N82 VanDerWaalsContact O-CA 3.31Å; P72-N82 WeakPolarHBondContact O-CA 3.49Å; N82-N84 PolarHBondContact OD1-ND2 3.02Å
83V96.4Very high89.4Confident1 Ų178.1 Ų78.11%0.00642%0.418CS..EExtended strand (participates in β ladder)trans-119.5129.3-178.1-170.40000109.4I13 F14 V15 F31 P72 P74I13-V83 HydrophobicContact CG2-CG1 3.25Å; F14-V83 WeakPolarHBondContact O-CA 3.34Å; V15-V83 HydrophobicContact CG1-CG2 4.37Å; F31-V83 HydrophobicContact CE1-CG1 4.15Å; F31-V83 HydrophobicContact CZ-CG1 4.25Å; F31-V83 HydrophobicContact CZ-CG2 4.1Å; P72-V83 PolarHBondContact O-N 3.14Å; P74-V83 HydrophobicContact CG-CG2 3.39Å
84N95.7Very high87.6Confident61 Ų6181.1 Ų81.133%0.32644%0.438SS..EExtended strand (participates in β ladder)trans-149.8156.6179.4-85.9-58.1000110.6I13 F14 N82 A86I13-N84 CarbonylContact C-O 3.47Å; I13-N84 WeakPolarHBondContact CA-O 3.33Å; I13-N84 WeakPolarHBondContact CG2-O 3.48Å; F14-N84 PolarHBondContact N-O 2.94Å; F14-N84 PolarHBondContact O-N 2.88Å; N82-N84 PolarHBondContact OD1-ND2 3.02Å; N84-A86 PolarHBondContact O-N 3.09Å
85L95.4Very high85.5Confident18 Ų1888.6 Ų88.69%0.09448%0.475CS..EExtended strand (participates in β ladder)trans-62.5131.9169.4-65.4171.7000109.5A65 Y87 L88A65-L85 HydrophobicContact CB-CD2 4.38Å; L85-Y87 HydrophobicContact CB-CD1 3.57Å; L85-Y87 HydrophobicContact CB-CE1 3.32Å; L85-Y87 HydrophobicContact CD1-CD1 4.45Å; L85-Y87 HydrophobicContact CD1-CE1 3.46Å; L85-Y87 VanDerWaalsContact CD1-CE1 3.46Å; L85-Y87 HydrophobicContact CG-CE1 3.96Å; L85-Y87 PolarHBondContact O-N 2.86Å; L85-Y87 VanDerWaalsContact O-N 3.14Å; L85-L88 HydrophobicContact CB-CD1 4.15Å; L85-L88 HydrophobicContact CB-CG 4.33Å; L85-L88 WeakPolarHBondContact O-CB 3.33Å; L85-L88 PolarHBondContact O-N 3.32Å
86A94.2Very high83.4Confident12 Ų1291.4 Ų91.410%0.09949%0.485CS..Hα-helixtrans-62.9-29-168.300000112.7K12 F14 F56 N84 L88 G89 A90K12-A86 HydrophobicContact CB-CB 4.03Å; K12-A86 HydrophobicContact CD-CB 4.13Å; K12-A86 HydrophobicContact CG-CB 3.71Å; K12-A86 WeakPolarHBondContact O-CB 3.41Å; K12-A86 PolarHBondContact O-N 2.73Å; F14-A86 HydrophobicContact CB-CB 4.38Å; F56-A86 HydrophobicContact CD1-CB 4.13Å; F56-A86 HydrophobicContact CE1-CB 4.15Å; N84-A86 PolarHBondContact O-N 3.09Å; A86-L88 PolarHBondContact O-N 2.79Å; A86-G89 PolarHBondContact O-N 2.98Å; A86-A90 WeakPolarHBondContact O-CB 3.31Å; A86-A90 PolarHBondContact O-N 2.9Å; A86-A90 VanDerWaalsContact O-N 3.09Å
87Y92.7Very high81.2Confident105 Ų10595.8 Ų95.841%0.41251%0.514SS..Hα-helixtrans-63.8-24.8176.875.7-95.6000113.2T9 Y10 L85T9-Y87 HydrophobicContact CG2-CD1 4.27Å; T9-Y87 HydrophobicContact CG2-CG 4.26Å; T9-Y87 VanDerWaalsContact O-CD1 3.24Å; T9-Y87 WeakPolarHBondContact O-CD1 3.23Å; Y10-Y87 HydrophobicContact CD1-CE1 4.15Å; Y10-Y87 HydrophobicContact CE1-CE1 4.37Å; L85-Y87 HydrophobicContact CB-CD1 3.57Å; L85-Y87 HydrophobicContact CB-CE1 3.32Å; L85-Y87 HydrophobicContact CD1-CD1 4.45Å; L85-Y87 HydrophobicContact CD1-CE1 3.46Å; L85-Y87 VanDerWaalsContact CD1-CE1 3.46Å; L85-Y87 HydrophobicContact CG-CE1 3.96Å; L85-Y87 PolarHBondContact O-N 2.86Å; L85-Y87 VanDerWaalsContact O-N 3.14Å
88L91.4Very high79.5Confident107 Ų10795.9 Ų95.956%0.5653%0.533SS*.Hα-helixtrans-70.3-35.5179.6-63.7171.4000112.1L85 A86L85-L88 HydrophobicContact CB-CD1 4.15Å; L85-L88 HydrophobicContact CB-CG 4.33Å; L85-L88 WeakPolarHBondContact O-CB 3.33Å; L85-L88 PolarHBondContact O-N 3.32Å; A86-L88 PolarHBondContact O-N 2.79Å
89G85.1Confident77.3Confident60 Ų60100.5 Ų100.562%0.61953%0.532SS*.Hα-helixtrans-95.7-12-18000000114A86 K91A86-G89 PolarHBondContact O-N 2.98Å; G89-K91 VanDerWaalsContact C-N 3.31Å; G89-K91 PolarHBondContact O-N 3.12Å
90A79.4Confident75.3Confident65 Ų65100.3 Ų100.354%0.53755%0.554SS.*  trans-71.985.4178.900000110A86A86-A90 WeakPolarHBondContact O-CB 3.31Å; A86-A90 PolarHBondContact O-N 2.9Å; A86-A90 VanDerWaalsContact O-N 3.09Å
91K73.9Confident72.8Confident185 Ų185102.3 Ų102.380%0.80456%0.563SS**  trans-50.4129.4158.1-61.9174.8176.4-175.30106.4G89 R93G89-K91 VanDerWaalsContact C-N 3.31Å; G89-K91 PolarHBondContact O-N 3.12Å; K91-R93 VanDerWaalsContact C-N 3.3Å; K91-R93 PolarHBondContact O-N 3.23Å
92P63.8Low70.6Confident121 Ų121105.2 Ų105.279%0.78659%0.594SS**  trans-57.8104.417323.4-30.8000106V94P92-V94 PolarHBondContact O-N 3.49Å
93R59.4Low68.6Low226 Ų226108.1 Ų108.185%0.85361%0.614SS**  trans-66.695.1165-90.8-172.4172.1156-2.8103.3K91 M95K91-R93 VanDerWaalsContact C-N 3.3Å; K91-R93 PolarHBondContact O-N 3.23Å; R93-M95 PolarHBondContact O-N 3.46Å
94V58.1Low66.3Low137 Ų137113.1 Ų113.183%0.8365%0.646SS**  trans-53.594.4149.8-117.10000103.4P92 Q96P92-V94 PolarHBondContact O-N 3.49Å; V94-Q96 PolarHBondContact O-N 3.29Å
95M51.2Low64.1Low162 Ų162117.5 Ų117.580%0.79867%0.665SS**  trans-58.995.7164.3-175.388.197.300102.4R93 P97R93-M95 PolarHBondContact O-N 3.46Å; M95-P97 VanDerWaalsContact C-N 3.34Å; M95-P97 WeakPolarHBondContact O-CD 3.48Å
96Q50.7Low62.2Low178 Ų178124 Ų12483%0.83270%0.698SS**  trans-57.4107.9173.5-163.3165.113.900103.6V94 G98V94-Q96 PolarHBondContact O-N 3.29Å; Q96-G98 PolarHBondContact O-N 3.43Å
97P49.4Very low60.1Low95 Ų95130.6 Ų130.662%0.61773%0.726SS**  trans-66111.6-179.6-9.626.1000103M95 F99M95-P97 VanDerWaalsContact C-N 3.34Å; M95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-F99 HydrophobicContact CB-CD2 4.04Å; P97-F99 PolarHBondContact O-N 3.3Å
98G55.5Low58Low79 Ų79131.6 Ų131.681%0.81475%0.745SS**  trans-64.973162.400000107.9Q96Q96-G98 PolarHBondContact O-N 3.43Å
99F46.6Very low55.9Low174 Ų174130.4 Ų130.476%0.76375%0.751SS**  trans-115.495159.6-83.3-79.3000105.8P97 F101P97-F99 HydrophobicContact CB-CD2 4.04Å; P97-F99 PolarHBondContact O-N 3.3Å; F99-F101 PolarHBondContact O-N 3.1Å
100A53.3Low54.4Low108 Ų108136.8 Ų136.889%0.89376%0.762SS**  trans-60.283.7151.200000107.4G102A100-G102 PolarHBondContact O-N 3.34Å
101F45.1Very low53.3Low188 Ų188141.6 Ų141.683%0.82578%0.777SS**  trans-86.9103.6159.4-145.7-91.7000105.9F99 V103F99-F101 PolarHBondContact O-N 3.1Å; F101-V103 PolarHBondContact O-N 3.2Å; F101-V103 VanDerWaalsContact O-N 3.09Å
102G50Low52.1Low65 Ų65140.6 Ų140.667%0.6778%0.775SS**  trans-57.4112.5-175.400000111.5A100A100-G102 PolarHBondContact O-N 3.34Å
103V52.4Low51.3Low124 Ų124145.8 Ų145.875%0.75278%0.779SS**  trans-98.1118.5141.8-172.90000104F101 Q105F101-V103 PolarHBondContact O-N 3.2Å; F101-V103 VanDerWaalsContact O-N 3.09Å; V103-Q105 PolarHBondContact O-N 3.48Å
104P48.5Very low50.9Low105 Ų105139.4 Ų139.468%0.68277%0.767SS**  trans-60.5113.6168.425.9-28.8000106.1I106P104-I106 PolarHBondContact O-N 3.18Å
105Q49Very low50.4Low154 Ų154144 Ų14472%0.7277%0.771SS**  trans-58.1100159.6-97.3-77.2-14.800105.6V103 H107V103-Q105 PolarHBondContact O-N 3.48Å; Q105-H107 PolarHBondContact O-N 3.43Å; Q105-H107 PolarHBondContact O-ND1 3.22Å
106I55.7Low50.4Low154 Ų154139.7 Ų139.779%0.7977%0.768SS**  trans-66.691171.90.3174.5000105.5P104P104-I106 PolarHBondContact O-N 3.18Å
107H51.2Low50.2Low151 Ų151139.5 Ų139.570%0.69977%0.771SS**  trans-57.3132.2163.8-48.9106.1000107.1Q105 A109Q105-H107 PolarHBondContact O-N 3.43Å; Q105-H107 PolarHBondContact O-ND1 3.22Å; H107-A109 PolarHBondContact O-N 2.95Å
108P47.9Very low50.6Low125 Ų125140.3 Ų140.381%0.81278%0.776SS**  trans-72.780.6166.331.1-30.2000106.8F110P108-F110 PolarHBondContact O-N 3.36Å
109A46.5Very low50.3Low82 Ų82142.5 Ų142.568%0.67877%0.774SS**  trans-66.6115.2166.700000107H107 I111H107-A109 PolarHBondContact O-N 2.95Å; A109-I111 PolarHBondContact O-N 3.39Å
110F53.7Low50.3Low195 Ų195142.4 Ų142.486%0.85578%0.776SS**  trans-47.198.8167.3-88.3-105.3000110.5P108 Q112P108-F110 PolarHBondContact O-N 3.36Å; F110-Q112 PolarHBondContact O-N 3.3Å
111I56.5Low50Low166 Ų166147.7 Ų147.785%0.85177%0.774SS**  trans-80.6101.4159.7-64.5176.3000106A109A109-I111 PolarHBondContact O-N 3.39Å
112Q49.5Very low50Low163 Ų163145.2 Ų145.276%0.76277%0.774SS**  trans-77.5131.6163.4-68.7-147.153.300109.7F110F110-Q112 PolarHBondContact O-N 3.3Å
113R46.9Very low49.8Very low231 Ų231151.7 Ų151.787%0.87278%0.78SS**  trans145.7159.5137.4-81.6-175.8175.6-151.1-2113.1
114P51.3Low49.9Very low92 Ų92151.5 Ų151.560%0.59778%0.781SS**  cis-142.471.3-43.439.1-19.7000111.2
115Y46.5Very low49.8Very low234 Ų234154.8 Ų154.892%0.91879%0.787SS**  trans-142.3126.6169-77.2-78.1000110.1
116G51.9Low49.9Very low71 Ų71151.5 Ų151.573%0.73279%0.786SS**  trans-87.1158.7-160.800000115.5
117I47.7Very low49.5Very low174 Ų174153.9 Ų153.989%0.89279%0.791SS**  trans-172.5145.7142.331.8177.3000107.8
118P55.9Low49.4Very low111 Ų111152.9 Ų152.972%0.72180%0.795SS**  trans-96.6161-165.639.2-35.1000114.1
119T50.7Low49.4Very low125 Ų125155 Ų15577%0.76780%0.795SS**  trans75.7119.8159.576.10000120.4
120H45.8Very low49.4Very low173 Ų173156.9 Ų156.980%0.80180%0.8SS**  -168.6130.397-124.1-102000110.7V122H120-V122 PolarHBondContact O-N 2.89Å
121Y47.8Very low48.9Very low219 Ų219153 Ų15386%0.85980%0.797SS**  trans-66113.9169.4-93.6-96.9000109.1
122V44.4Very low48.9Very low136 Ų136151.2 Ų151.282%0.82479%0.793SS**  trans-90.3108.7165.7169.90000107.5H120H120-V122 PolarHBondContact O-N 2.89Å
123Y46.1Very low49Very low201 Ų201149.7 Ų149.779%0.78880%0.795SS**PPolyproline II helixtrans-64.9140.7166.9-90-86.8000110Q125Y123-Q125 PolarHBondContact O-N 2.81Å
124P54.1Low49.3Very low119 Ų119145.3 Ų145.377%0.77379%0.787SS**PPolyproline II helixtrans-68.4121.6166.627.6-30.5000109.3A126P124-A126 PolarHBondContact O-N 2.76Å
125Q45.9Very low48.7Very low174 Ų174146 Ų14681%0.81379%0.792SS**PPolyproline II helixtrans-61.7121.3170.2-76.4-86.6-6700109.1Y123 F127Y123-Q125 PolarHBondContact O-N 2.81Å; Q125-F127 PolarHBondContact O-N 2.77Å
126A52.7Low49Very low86 Ų86142.3 Ų142.371%0.71178%0.783SS**PPolyproline II helixtrans-58.9122.9166.600000108.5P124 V128P124-A126 PolarHBondContact O-N 2.76Å; A126-V128 PolarHBondContact O-N 3.29Å
127F46.3Very low49Very low204 Ų204145.4 Ų145.490%0.89579%0.787SS**  trans-58.1114.5170.5-95.6-94.7000109.1Q125 Q129Q125-F127 PolarHBondContact O-N 2.77Å; F127-Q129 PolarHBondContact O-N 3.06Å
128V49.5Very low49.1Very low129 Ų129144.2 Ų144.278%0.78278%0.778SS**  trans-61.3115.4169177.60000107.7A126A126-V128 PolarHBondContact O-N 3.29Å
129Q48.4Very low48.6Very low171 Ų171144.7 Ų144.780%0.79978%0.781SS**  trans-72.5134.2167.8-63.1-166.57.800108.8F127 S131F127-Q129 PolarHBondContact O-N 3.06Å; Q129-S131 PolarHBondContact O-N 3.48Å
130P46.2Very low48Very low121 Ų121144.6 Ų144.679%0.78678%0.78SS**  trans-66.5126.8169.126.4-30.5000109.4V132P130-V132 PolarHBondContact O-N 3.02Å
131S43.3Very low47.6Very low114 Ų114140.7 Ų140.780%0.79778%0.778SS**  trans-44.4123.5-178.3-47.10000114Q129Q129-S131 PolarHBondContact O-N 3.48Å
132V54.9Low47.1Very low127 Ų127134.8 Ų134.877%0.7777%0.774SS**  trans-84.3111.4156.6175.70000107P130 I134P130-V132 PolarHBondContact O-N 3.02Å; V132-I134 PolarHBondContact O-N 3.42Å
133V52.8Low47Very low131 Ų131133.1 Ų133.179%0.79478%0.775SS**  trans-65.4110.2167.4167.70000107.7
134I52.3Low47.2Very low139 Ų139129.7 Ų129.771%0.71378%0.777SS**  trans-86.7121.3168.3-56.7170.9000106.7V132 H136V132-I134 PolarHBondContact O-N 3.42Å; I134-H136 PolarHBondContact O-N 3.34Å; I134-H136 VanDerWaalsContact O-N 3.1Å
135P40.2Very low46.5Very low108 Ų108128.9 Ų128.970%0.70178%0.78SS**  trans-67109.6167-13.928.6000108.5V137P135-V137 PolarHBondContact O-N 3.17Å
136H51.9Low45.9Very low156 Ų156127.3 Ų127.372%0.72278%0.783SS**  trans-74.4115.1168.666.2-74.6000107.9I134I134-H136 PolarHBondContact O-N 3.34Å; I134-H136 VanDerWaalsContact O-N 3.1Å
137V52Low45.3Very low135 Ų135127.8 Ų127.882%0.81879%0.787SS**  trans-93.2108.9161.9-164.40000105.5P135 P139P135-V137 PolarHBondContact O-N 3.17Å; V137-P139 WeakPolarHBondContact O-CD 3.39Å
138Q49.3Very low44.8Very low150 Ų150124.6 Ų124.670%0.70178%0.784SS**PPolyproline II helixtrans-71.6124.4-179.2-179.5168.7-30.600110.4
139P46.9Very low44.5Very low120 Ų120122.9 Ų122.978%0.77978%0.784SS**PPolyproline II helixtrans-98.7119.5165.1171.4000109.7V137 A141V137-P139 WeakPolarHBondContact O-CD 3.39Å; P139-A141 PolarHBondContact O-N 3.1Å
140T36.4Very low44.2Very low124 Ų124121.4 Ų121.476%0.76179%0.786SS**PPolyproline II helixtrans-76.1118.8170.8-59.80000110
141A39.1Very low44Very low90 Ų90121.2 Ų121.274%0.74479%0.788SS**  trans20127.5152.400000121.5P139P139-A141 PolarHBondContact O-N 3.1Å
142A36.2Very low44.3Very low96 Ų96121.6 Ų121.679%0.79379%0.788SS**  -177.5109.3115.200000113.7
143A41.5Very low43.5Very low100 Ų100125.7 Ų125.783%0.82679%0.791SS**  trans59.1168.8138.500000121.1
144P51.6Low43.4Very low129 Ų129126.1 Ų126.184%0.83879%0.788SS**  -114150.6-112.633.1-15.6000114
145A39.1Very low42.6Very low102 Ų102125.6 Ų125.684%0.84379%0.786SS**  trans-137.4122.8165.500000111.3
146T33.4Very low42.6Very low142 Ų142130.9 Ų130.987%0.87179%0.794SS**  trans-56.2148.5173380000113.3
147A40.9Very low42.4Very low95 Ų95129.6 Ų129.679%0.78580%0.797SS**  trans-54.7142.6177.700000114.2
148T34Very low42.4Very low137 Ų137127.1 Ų127.184%0.8480%0.798SS**  trans-152.8125.5136.6-33.90000109.4
149A44.5Very low42.1Very low94 Ų94124.9 Ų124.978%0.77781%0.806SS**  trans-84.3129.4174.400000109.9
150T41.3Very low42Very low139 Ų139123.7 Ų123.785%0.85381%0.806SS**  trans-155.4135.9157.523.20000109.9
151S42.8Very low42.4Very low118 Ų118129.1 Ų129.183%0.82581%0.814SS**  trans-55.1147.3-166.9-46.80000116.3
152P49.4Very low42.8Very low122 Ų122129.3 Ų129.379%0.79282%0.816SS**  trans-95.2102.8168.433.4-25.7000111.1
153Y37Very low43.1Very low212 Ų212132.9 Ų132.983%0.83182%0.816SS**  trans-93.8114.3151.1-163.8-88.9000106
154I51.3Low43.3Very low141 Ų141139.3 Ų139.372%0.72382%0.82SS**  trans-117.8114.7175.5-65.5-131.6000109.2
155D36.4Very low43.3Very low127 Ų127139 Ų13968%0.67982%0.821SS**  trans-58.3131164.5-115.8-94.3000111.1
156Y40Very low43.4Very low220 Ų220139.2 Ų139.286%0.86382%0.823SS**  trans-107.781.5-178.6-143.8-86.3000110
157T48Very low44.1Very low128 Ų128137.3 Ų137.379%0.78582%0.822SS**  trans-139.2111164.854.50000110.7
158G51.7Low44.4Very low83 Ų83137 Ų13786%0.85682%0.819SS**  trans123.864.215900000117
159A42.6Very low44.9Very low103 Ų103138.7 Ų138.785%0.85182%0.823SS**  trans-15282.8161.800000111
160A44.1Very low44.8Very low95 Ų95139.1 Ų139.179%0.78583%0.827SS**SBendtrans-148.73.8170.900000115.7
161Y45.3Very low44.6Very low239 Ų239137.6 Ų137.694%0.93783%0.828SS**SBendtrans-137.379.9177.8-95.8-87.4000111.5
162A47.4Very low44.2Very low94 Ų94136.8 Ų136.878%0.77783%0.829SS**  trans-166.768.1161.200000110.5
163Q42.8Very low43.5Very low170 Ų170135.7 Ų135.779%0.79483%0.83SS**  trans-155.543.3170-158.2109.7-44.600113.8
164Y45.9Very low43.4Very low235 Ų235132.6 Ų132.692%0.92283%0.833SS**SBendtrans-148.746.9168.6-62.2-76.9000113.6
165S50.6Low42.7Very low122 Ų122130 Ų13085%0.85383%0.833SS**  trans-150.172.6167.265.10000112.1
166A41.3Very low42.8Very low107 Ų107134.6 Ų134.688%0.88484%0.842SS**  trans-145.769.6168.300000110.1
167A48.4Very low42.6Very low103 Ų103131.1 Ų131.185%0.85183%0.833SS**  trans-153.367.4166.600000109
168A47.8Very low41.7Very low87 Ų87134.4 Ų134.472%0.71984%0.84SS**  trans-158.324.5179.500000116.2
169N44Very low40.9Very low173 Ų173139.8 Ų139.893%0.92584%0.836SS**  trans-149.978.2173.3-82.6-54.5000112.4
170A42Very low41.8Very low103 Ų103140.2 Ų140.285%0.85183%0.83SS**  trans-15481.7165.100000110
171A38Very low41.3Very low108 Ų108146.6 Ų146.689%0.89384%0.835SS**  trans171.996.115000000109.9
172A34.2Very low41Very low100 Ų100138.9 Ų138.983%0.82682%0.821SS**  trans-123.414216300000108.5
173A34.3Very low40.4Very low99 Ų99139 Ų13982%0.81882%0.821SS**  trans85.6108.2175.500000116.8
174V35.1Very low40.3Very low148 Ų148136.2 Ų136.290%0.89782%0.821SS**  177.3140.5115.61680000109.2
175A37Very low40.8Very low87 Ų87130.7 Ų130.772%0.71981%0.814SS**  trans97.698.6160.700000120.1
176Y37.8Very low40.2Very low223 Ų223129.7 Ų129.788%0.87581%0.813SS**  58.9106.8126-99.2-96.9000121.7
177E36.5Very low40.4Very low146 Ų146129.3 Ų129.368%0.68281%0.81SS**  trans22.2112.3133.1-69.4-79.611300119.5
178Q28.9Very low40.4Very low197 Ų197130.7 Ų130.792%0.92181%0.81SS**  trans-161.1112.1141.3-161133.4-36.700112.1
179Y34.9Very low39.8Very low197 Ų197129.6 Ų129.677%0.77381%0.807SS**  trans-86.4-178.6166.1-79.8-82.1000110.9
180P62.3Low39.5Very low111 Ų111131.3 Ų131.372%0.72180%0.802SS**  cis-134.6163.9-46.335.5-19.7000112.8
181Y32.7Very low39.2Very low230 Ų230134.4 Ų134.490%0.90280%0.801SS**  -174.5152.3128.4-150.4-104.6000113.4
182A39.7Very low39.1Very low76 Ų76133.6 Ų133.663%0.62879%0.794SS**  trans-49.9170.4-169.700000118.4
183A34.2Very low39.1Very low96 Ų96134.4 Ų134.479%0.79379%0.789SS**  cis-160.8153.82000000111.8
184S41.3Very low39Very low112 Ų112136 Ų13678%0.78379%0.789SS**  trans-91.6-175.9161.9-58.20000109.5
185P56.1Low38.9Very low120 Ų120132.1 Ų132.178%0.77978%0.778SS**  cis-150.3174.410.741.6-19.5000119.6
186A38.6Very low38.7Very low101 Ų101139.5 Ų139.584%0.83579%0.79SS**  trans81.3124.4135.900000123.2
187A44.6Very low38.4Very low98 Ų98131.9 Ų131.981%0.8178%0.779SS**  trans-121.4136.5146.700000108.5
188P48.1Very low38.2Very low133 Ų133135 Ų13586%0.86479%0.79SS**  trans-96.4153.9162.935.7-26.3000108.8
189G34.9Very low38.5Very low64 Ų64129.2 Ų129.266%0.6678%0.776SS**  cis143.1111.420.600000106.1
190Y37.9Very low38.7Very low209 Ų209126 Ų12682%0.8278%0.777SS**  trans-78.7153.8172.69.5-96.8000110.1
191M35.4Very low37.4Very low168 Ų168129.3 Ų129.383%0.82878%0.783SS**  trans153.1116.5137.7-79.4-75.415700110.3
192A37.1Very low37.8Very low91 Ų91126.8 Ų126.875%0.75278%0.779SS**  85.5144.1111.900000112.1
193T33.1Very low38.8Very low117 Ų117128.2 Ų128.272%0.71878%0.782SS**  cis-174.5155.521.5169.70000108
194T33.6Very low38.9Very low133 Ų133131.6 Ų131.682%0.81679%0.786SS**  trans61.5127.2150.143.10000121.9
195G32.8Very low38.7Very low65 Ų65130.6 Ų130.667%0.6778%0.784SS**  137.1103.1122.600000116.9
196Y31.8Very low37.7Very low243 Ų243129.5 Ų129.595%0.95379%0.786SS**  trans43131.6142.7-70.9-87.3000121.9
197G32.8Very low37.5Very low63 Ų63129.7 Ų129.765%0.64979%0.787SS**  121.5102.9124.100000117.7
198F31.3Very low37.4Very low211 Ų211129.5 Ų129.593%0.92579%0.786SS**  trans58.3136.5133-87.4-88.4000123.7
199A35.6Very low37.5Very low76 Ų76129.5 Ų129.563%0.62879%0.786SS**  trans72.8112.1143.700000118.9
200V38.4Very low37.5Very low130 Ų130129.8 Ų129.879%0.78879%0.789SS**  42.7111.593.6-138.70000113.1
201Q35.3Very low37.9Very low179 Ų179125.6 Ų125.684%0.83679%0.79SS**  173123.1119.3-149.2101.3-27.800110.4
202Q40.9Very low37.9Very low177 Ų177122.1 Ų122.183%0.82779%0.788SS**  trans-74.9-168.8155.6-116.5165.8-17.500109.2
203P60.8Low37.7Very low106 Ų106122.6 Ų122.669%0.68879%0.792SS**  cis-132.2170.7-32.932.8-15.8000111
204L37Very low37.7Very low167 Ų167121.4 Ų121.487%0.87479%0.794SS**  trans-163120.1144.6-144.456.7000114
205A37.1Very low37.7Very low91 Ų91119.7 Ų119.775%0.75279%0.793SS**  trans20.8157135.500000120.2
206A34.8Very low38Very low98 Ų98120.9 Ų120.981%0.8180%0.796SS**  cis173.1139.4-13.600000103.8
207A35.1Very low38.3Very low104 Ų104115.8 Ų115.886%0.8679%0.79SS**  trans173.4103.6148.200000111.4
208A41.2Very low38.6Very low95 Ų95117.9 Ų117.979%0.78580%0.802SS**  trans-92.2168.4146.100000107.1
209P49.8Very low38.8Very low132 Ų132115.7 Ų115.786%0.85779%0.792SS**  -154.717559.337.6-14.4000117.7
210G35.8Very low39Very low70 Ų70115.8 Ų115.872%0.72280%0.801SS**  trans96.7122.8155.600000114.6
211S46.2Very low39.1Very low122 Ų122117.4 Ų117.485%0.85380%0.799SS**  cis-167145.22830.60000112
212A35Very low39.5Very low94 Ų94120.2 Ų120.278%0.77780%0.804SS**  trans22.5124.3157.900000120.8
213A34.1Very low39.5Very low102 Ų102120.2 Ų120.284%0.84380%0.804SS**  61.6135.661.800000112.4
214A33.2Very low38.8Very low91 Ų91119.3 Ų119.375%0.75281%0.805SS**  cis-162.8146.412.200000108
215A33.3Very low39Very low98 Ų98118.9 Ų118.981%0.8180%0.799SS**  82.8123.3105.400000117.6
216A38.2Very low39.5Very low89 Ų89121.5 Ų121.574%0.73680%0.796SS**  170.4112.6112.500000111.2
217V37.7Very low40.3Very low136 Ų136124.2 Ų124.282%0.82480%0.796SS**  59.1116.3101.7-143.20000116.3
218A39.6Very low40.9Very low107 Ų107128.8 Ų128.888%0.88480%0.799SS**  trans-139.2115.315100000109.5
219F34.9Very low41.5Very low166 Ų166128.3 Ų128.373%0.72880%0.795SS**  trans-97.9119-173.8-161.5-97.9000107.5Q221F219-Q221 HydrophobicContact CD1-CB 4.35Å; F219-Q221 HydrophobicContact CD1-CG 4Å; F219-Q221 HydrophobicContact CE1-CG 3.93Å; F219-Q221 PolarHBondContact O-N 3.39Å
220G40.2Very low41.7Very low78 Ų78129.2 Ų129.280%0.80479%0.793SS**  trans-89.580.3176.200000111.3
221Q41.4Very low42.7Very low163 Ų163136.4 Ų136.476%0.76280%0.798SS**PPolyproline II helixtrans-70.1118.1168.5-118.4166.4-20.300109.6F219F219-Q221 HydrophobicContact CD1-CB 4.35Å; F219-Q221 HydrophobicContact CD1-CG 4Å; F219-Q221 HydrophobicContact CE1-CG 3.93Å; F219-Q221 PolarHBondContact O-N 3.39Å
222Y42.4Very low43.1Very low239 Ų239138.5 Ų138.594%0.93780%0.797SS**PPolyproline II helixtrans-100.8117.3157.7-92.9-86.7000108.5
223Q42.7Very low44Very low176 Ų176146.7 Ų146.782%0.82282%0.819SS**PPolyproline II helixtrans-91138.2-176.2-168.8171.6-7.900110
224A45.8Very low44.5Very low87 Ų87149 Ų14972%0.71982%0.818SS**PPolyproline II helixtrans-102.1136.1167.600000109.4
225Q41.1Very low45.1Very low159 Ų159152 Ų15274%0.74382%0.821SS**  trans154.2140.9161.9-89.2173.6-3800106.6
226Q46.5Very low45.8Very low146 Ų146155 Ų15568%0.68282%0.822SS**  cis-167.8149.716.7-119.1163.736.300109.3
227L52Low46.3Very low155 Ų155158.9 Ų158.981%0.81283%0.827SS**  trans10.9126.3150-76.9106.7000120.3
228Q46.9Very low46.8Very low200 Ų200160.3 Ų160.394%0.93583%0.827SS**  trans-131.6106.5145-149143.93.400109.7
229A54.8Low47.3Very low84 Ų84163.9 Ų163.969%0.69482%0.823SS**  trans-80.7129174.900000109.5R231A229-R231 PolarHBondContact O-N 3.47Å
230D53.3Low48.2Very low152 Ų152163.7 Ų163.781%0.81383%0.83SS**  trans-36.1124.8148.6-172-98.9000111.3
231R56.9Low48.8Very low221 Ų221170.3 Ų170.383%0.83483%0.832SS**  trans175.2118.4148.9-80.7-115.1158.7126.60.7112.6A229A229-R231 PolarHBondContact O-N 3.47Å
232M55Low49.4Very low166 Ų166170.9 Ų170.982%0.81884%0.838SS**  trans53.4106.6138-59.9-108.3-69.200119.9
233Q55.1Low50Low266 Ų266164.7 Ų164.7100%1.24383%0.829SS**  -1790101.5-93.6-169.94.600110.2

Retrieved 233 of 233 residues in 153.3 ms (Link to these results)