A0A087XI10_POEFO Loading...

Tripartite motif-containing protein 54

May bind and stabilize microtubules during myotubes formation.

AlphaFold DB , UniProt , Accession A0A087XI10, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 369 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
1M52.8Low78.2Confident164 Ų16490.2 Ų90.281%0.80845%0.452SS*.  0-9.10-69.3175.9-166.300111.9N3 L4M1-N3 VanDerWaalsContact C-N 3.27Å; M1-N3 PolarHBondContact O-N 3.4Å; M1-L4 PolarHBondContact O-N 2.95Å; M1-L4 VanDerWaalsContact O-N 3.16Å
2D56.3Low79.4Confident121 Ų12188.1 Ų88.165%0.64744%0.442SS*.Hα-helixtrans-69.3-17.1-168.9-37.6-15.1000114.7K6D2-K6 WeakPolarHBondContact O-CG 3.46Å
3N68Low80.5Confident122 Ų12284.8 Ų84.865%0.65243%0.432SS*.Hα-helixtrans-79.6-32.7176.6-151.6-48.2000111.6M1M1-N3 VanDerWaalsContact C-N 3.27Å; M1-N3 PolarHBondContact O-N 3.4Å
4L72.8Confident81.2Confident84 Ų8488.1 Ų88.144%0.4445%0.45SS..Hα-helixtrans-74.8-36.6178.1-172.862.4000111.4M1 K6 Q7 L8M1-L4 PolarHBondContact O-N 2.95Å; M1-L4 VanDerWaalsContact O-N 3.16Å; L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 3.4Å; L4-Q7 WeakPolarHBondContact O-CB 3.28Å; L4-Q7 PolarHBondContact O-N 3.35Å; L4-Q7 VanDerWaalsContact O-N 3.09Å; L4-L8 PolarHBondContact O-N 3.49Å
5E79.1Confident81.9Confident86 Ų8690.9 Ų90.940%0.40246%0.46SS..Hα-helixtrans-59.1-43.4177-175.7171-164.200111.9Q7 L8 I9 M16 F91E5-Q7 PolarHBondContact O-N 2.89Å; E5-L8 PolarHBondContact O-N 3.34Å; E5-I9 WeakPolarHBondContact O-CG1 3.26Å; E5-M16 HydrophobicContact CG-CE 3.88Å; E5-F91 HydrophobicContact CB-CE2 4.49Å; E5-F91 HydrophobicContact CB-CZ 4.08Å; E5-F91 HydrophobicContact CG-CZ 4.23Å
6K80.8Confident82.4Confident158 Ų15887.9 Ų87.969%0.68745%0.445SS*.Hα-helixtrans-61.3-26.8176.5-68.9178.4-176.3-1780113.5D2 L4 L8D2-K6 WeakPolarHBondContact O-CG 3.46Å; L4-K6 VanDerWaalsContact C-N 3.33Å; L4-K6 PolarHBondContact O-N 3.4Å; K6-L8 VanDerWaalsContact C-N 3.3Å
7Q83.3Confident83Confident133 Ų13383.5 Ų83.562%0.62142%0.422SS*.Hα-helixtrans-80.9-11.2178.5-64179.50.100113L4 E5L4-Q7 WeakPolarHBondContact O-CB 3.28Å; L4-Q7 PolarHBondContact O-N 3.35Å; L4-Q7 VanDerWaalsContact O-N 3.09Å; E5-Q7 PolarHBondContact O-N 2.89Å
8L89.4Confident83.6Confident9 Ų983.2 Ų83.25%0.04743%0.425CS..THydrogen-bonded Turntrans-105.111.3-179.6-60.9176.7000113.3L4 E5 K6 M16 F17 I87 I88 F91L4-L8 PolarHBondContact O-N 3.49Å; E5-L8 PolarHBondContact O-N 3.34Å; K6-L8 VanDerWaalsContact C-N 3.3Å; L8-M16 WeakPolarHBondContact O-CA 3.44Å; L8-F17 VanDerWaalsContact C-CD2 3.48Å; L8-F17 WeakPolarHBondContact O-CD2 3.32Å; L8-F17 PolarHBondContact O-N 3.37Å; L8-I87 HydrophobicContact CD1-CG2 3.89Å; L8-I87 HydrophobicContact CD2-CG2 3.86Å; L8-I87 HydrophobicContact CG-CG2 4.48Å; L8-I88 HydrophobicContact CD1-CG1 4.49Å; L8-I88 HydrophobicContact CD2-CG1 4.27Å; L8-F91 HydrophobicContact CD1-CB 4.39Å; L8-F91 HydrophobicContact CD1-CG 4.41Å
9I91.6Very high83.9Confident61 Ų6182.8 Ų82.831%0.31342%0.42SS..BIsolated β-bridgetrans-94.3134.9-179.8-64.6172.8000110.4E5 E15 F17E5-I9 WeakPolarHBondContact O-CG1 3.26Å; I9-E15 WeakPolarHBondContact CA-O 3.41Å; I9-F17 WeakPolarHBondContact O-CZ 3.49Å
10C93.6Very high84.3Confident0 Ų080.2 Ų80.20%041%0.409CS..  trans-74.5128.7173.5-179.10000110.8I12 C13 L14 E15 F17 C31C10-I12 PolarHBondContact O-N 3.3Å; C10-C13 WeakPolarHBondContact CB-SG 3.18Å; C10-L14 VanDerWaalsContact O-CA 3.28Å; C10-L14 WeakPolarHBondContact O-CA 3.34Å; C10-L14 PolarHBondContact O-N 3.13Å; C10-E15 PolarHBondContact N-O 3.2Å; C10-F17 VanDerWaalsContact CA-CE1 3.4Å; C10-F17 HydrophobicContact CB-CD1 3.56Å; C10-F17 HydrophobicContact CB-CE1 3.66Å; C10-F17 HydrophobicContact CB-CG 4.35Å; C10-C31 VanDerWaalsContact CB-SG 3.6Å
11P92.2Very high84.8Confident54 Ų5476.4 Ų76.435%0.35139%0.39SS..THydrogen-bonded Turntrans-69.7-4.3-178.829.5-37.1000114.3L30P11-L30 HydrophobicContact CG-CD2 3.74Å
12I93.1Very high86.8Confident65 Ų6568.6 Ų68.633%0.33335%0.351SS..THydrogen-bonded Turntrans-103.9-55.4179.4-62.7-56.1000111.8C10 L30 C34 V38 P62C10-I12 PolarHBondContact O-N 3.3Å; I12-L30 HydrophobicContact CG1-CD2 3.64Å; I12-C34 HydrophobicContact CB-CB 3.68Å; I12-C34 HydrophobicContact CG1-CB 4.14Å; I12-C34 HydrophobicContact CG2-CB 3.64Å; I12-V38 HydrophobicContact CD1-CG2 4.04Å; I12-V38 HydrophobicContact CG1-CG2 4.2Å; I12-P62 HydrophobicContact CD1-CB 3.49Å; I12-P62 VanDerWaalsContact CD1-CB 3.49Å; I12-P62 HydrophobicContact CD1-CG 3.4Å; I12-P62 HydrophobicContact CG1-CB 4.32Å; I12-P62 HydrophobicContact CG1-CG 3.94Å
13C92.9Very high88.6Confident46 Ų4664.3 Ų64.331%0.31133%0.328SS..THydrogen-bonded Turntrans-86.9-8.3179.963.10000113.5C10 E15C10-C13 WeakPolarHBondContact CB-SG 3.18Å; C13-E15 PolarHBondContact O-N 3.36Å
14L90.4Very high89.8Confident131 Ų13158.6 Ų58.669%0.68630%0.298SS*.SBendtrans57.614.1-179.4-52-179.6000114.7C10C10-L14 VanDerWaalsContact O-CA 3.28Å; C10-L14 WeakPolarHBondContact O-CA 3.34Å; C10-L14 PolarHBondContact O-N 3.13Å
15E91.7Very high90.7Very high130 Ų13058.4 Ų58.461%0.60730%0.301SS*.SBendtrans-106.5167.3172.6-66.5177.5-17400110I9 C10 C13 F17I9-E15 WeakPolarHBondContact CA-O 3.41Å; C10-E15 PolarHBondContact N-O 3.2Å; C13-E15 PolarHBondContact O-N 3.36Å; E15-F17 PolarHBondContact O-N 3.07Å
16M90.1Very high91.4Very high43 Ų4355.4 Ų55.421%0.21229%0.289CS..BIsolated β-bridgetrans-51.9138.8168.3-75.7-164153.500111.3E5 L8 T18 F91E5-M16 HydrophobicContact CG-CE 3.88Å; L8-M16 WeakPolarHBondContact O-CA 3.44Å; M16-T18 PolarHBondContact O-N 3.1Å; M16-T18 VanDerWaalsContact O-N 3.17Å; M16-F91 HydrophobicContact CE-CD1 3.37Å; M16-F91 HydrophobicContact CE-CE1 3.18Å; M16-F91 HydrophobicContact CE-CG 4.27Å; M16-F91 HydrophobicContact CE-CZ 3.97Å; M16-F91 HydrophobicContact SD-CD1 4.28Å; M16-F91 HydrophobicContact SD-CE1 4.42Å
17F93.3Very high92Very high12 Ų1254.4 Ų54.45%0.05329%0.287CS..PPolyproline II helixtrans-51.9125.9-177.4-72.6-71.4000112.3L8 I9 C10 E15 V21 N29 V84 I88L8-F17 VanDerWaalsContact C-CD2 3.48Å; L8-F17 WeakPolarHBondContact O-CD2 3.32Å; L8-F17 PolarHBondContact O-N 3.37Å; I9-F17 WeakPolarHBondContact O-CZ 3.49Å; C10-F17 VanDerWaalsContact CA-CE1 3.4Å; C10-F17 HydrophobicContact CB-CD1 3.56Å; C10-F17 HydrophobicContact CB-CE1 3.66Å; C10-F17 HydrophobicContact CB-CG 4.35Å; E15-F17 PolarHBondContact O-N 3.07Å; F17-V21 HydrophobicContact CB-CG2 3.67Å; F17-V21 HydrophobicContact CD1-CG1 4.22Å; F17-V21 HydrophobicContact CG-CG1 4.32Å; F17-V21 HydrophobicContact CG-CG2 4.33Å; F17-N29 HydrophobicContact CE1-CB 4.09Å; F17-N29 VanDerWaalsContact CE1-O 3.29Å; F17-N29 WeakPolarHBondContact CE1-O 3.34Å; F17-N29 HydrophobicContact CE2-CB 4.41Å; F17-N29 HydrophobicContact CZ-CB 3.86Å; F17-V84 HydrophobicContact CD2-CG1 4.05Å; F17-I88 HydrophobicContact CB-CD1 3.64Å
18T92.4Very high92.6Very high79 Ų7951.3 Ų51.349%0.48527%0.273SS..PPolyproline II helixtrans-87.8130.2175.1-440000109.9M16 P20 C31M16-T18 PolarHBondContact O-N 3.1Å; M16-T18 VanDerWaalsContact O-N 3.17Å; T18-P20 CarbonylContact O-C 3.48Å; T18-C31 PolarHBondContact N-SG 3.47Å
19K90.6Very high92.8Very high75 Ų7552.5 Ų52.533%0.32628%0.279SS..SBendtrans-67.2139176.2-58-171.7177.6-165.30110.2E85 D89K19-E85 HydrophobicContact CD-CB 4.15Å; K19-E85 HydrophobicContact CD-CG 4.22Å; K19-E85 WeakPolarHBondContact CE-O 3.48Å; K19-E85 HydrophobicContact CG-CB 4.4Å; K19-E85 HydrophobicContact CG-CG 4.01Å; K19-E85 PolarHBondContact NZ-O 2.94Å; K19-D89 VanDerWaalsContact CE-OD1 3.25Å; K19-D89 WeakPolarHBondContact CE-OD1 3.35Å; K19-D89 IonicContact NZ-OD1 2.98Å; K19-D89 PolarHBondContact NZ-OD1 3.48Å; K19-D89 IonicContact NZ-OD2 3.61Å; K19-D89 PolarHBondContact NZ-OD2 3.11Å
20P92Very high93Very high31 Ų3149.6 Ų49.620%0.20126%0.264CS..SBendcis-80.6138.9129.1-32.1000113.4T18 R32 R80 E85T18-P20 CarbonylContact O-C 3.48Å; P20-R32 HydrophobicContact CG-CB 3.71Å; P20-R32 HydrophobicContact CG-CG 4.26Å; P20-R32 VanDerWaalsContact CG-CZ 3.45Å; P20-R32 VanDerWaalsContact CG-NE 3.29Å; P20-R32 WeakPolarHBondContact O-CB 3.39Å; P20-R32 PolarHBondContact O-N 3.01Å; P20-R80 HydrophobicContact CB-CG 4.13Å; P20-R80 VanDerWaalsContact CB-NE 3.27Å; P20-E85 WeakPolarHBondContact CA-OE1 3.5Å
21V94.1Very high93.1Very high0 Ų049.7 Ų49.70%027%0.265CS..EExtended strand (participates in β ladder)trans-91.7121.1176.6-175.50000108.8F17 N29 R80 N81 V84 E85 I88F17-V21 HydrophobicContact CB-CG2 3.67Å; F17-V21 HydrophobicContact CD1-CG1 4.22Å; F17-V21 HydrophobicContact CG-CG1 4.32Å; F17-V21 HydrophobicContact CG-CG2 4.33Å; V21-N29 HydrophobicContact CG1-CB 3.91Å; V21-R80 CarbonylContact O-C 3.3Å; V21-R80 WeakPolarHBondContact O-CA 3.32Å; V21-N81 PolarHBondContact O-N 3.06Å; V21-V84 HydrophobicContact CG1-CG1 4.14Å; V21-V84 HydrophobicContact CG2-CG1 4.48Å; V21-E85 HydrophobicContact CB-CG 4.03Å; V21-E85 HydrophobicContact CG2-CG 3.85Å; V21-E85 PolarHBondContact N-OE1 2.93Å; V21-I88 HydrophobicContact CG2-CD1 4.36Å
22V94.6Very high93.2Very high0 Ų049.9 Ų49.90%026%0.258CS..EExtended strand (participates in β ladder)trans-99.9142.3-178.7-650000111.1N29 L30 R32 A35 L78 Q79V22-N29 WeakPolarHBondContact O-CA 3.5Å; V22-L30 HydrophobicContact CG2-CB 4.17Å; V22-L30 WeakPolarHBondContact CG2-O 3.31Å; V22-L30 PolarHBondContact N-O 3.35Å; V22-L30 PolarHBondContact O-N 3.23Å; V22-R32 HydrophobicContact CG1-CB 3.97Å; V22-R32 HydrophobicContact CG1-CG 4.27Å; V22-A35 HydrophobicContact CG2-CB 3.79Å; V22-L78 HydrophobicContact CB-CB 3.99Å; V22-L78 HydrophobicContact CB-CD1 4.4Å; V22-L78 HydrophobicContact CG1-CB 4.18Å; V22-L78 HydrophobicContact CG2-CD1 4.26Å; V22-Q79 CarbonylContact C-O 3.59Å; V22-Q79 WeakPolarHBondContact CA-O 3.39Å
23I94.9Very high93.2Very high31 Ų3154.3 Ų54.316%0.15928%0.275CS..EExtended strand (participates in β ladder)trans-102128.6174.3-164.7165.1000110.3Q79 N81I23-Q79 HydrophobicContact CG2-CB 3.81Å; I23-Q79 PolarHBondContact N-O 2.84Å; I23-N81 HydrophobicContact CB-CB 4.43Å
24L93.3Very high93.3Very high3 Ų352.5 Ų52.52%0.01626%0.263CS..PPolyproline II helixtrans-82.8159.3175.5-58.9-178.2000110.8C26 Q27 H28 L30 F59 C61 V68 L78L24-C26 VanDerWaalsContact CB-SG 3.59Å; L24-C26 PolarHBondContact O-N 3.13Å; L24-C26 VanDerWaalsContact O-N 3.07Å; L24-Q27 WeakPolarHBondContact O-CA 3.41Å; L24-Q27 PolarHBondContact O-N 3.03Å; L24-H28 PolarHBondContact N-O 3.29Å; L24-L30 HydrophobicContact CD1-CD1 3.79Å; L24-L30 HydrophobicContact CD1-CG 4.49Å; L24-L30 HydrophobicContact CD2-CD1 4.41Å; L24-L30 HydrophobicContact CG-CD1 4.33Å; L24-F59 HydrophobicContact CD1-CE2 4.4Å; L24-F59 HydrophobicContact CD2-CE2 4.3Å; L24-F59 HydrophobicContact CD2-CZ 3.64Å; L24-C61 HydrophobicContact CD1-CB 3.85Å; L24-V68 HydrophobicContact CB-CG2 4.29Å; L24-V68 HydrophobicContact CD1-CG2 4.23Å; L24-V68 HydrophobicContact CD2-CG1 4.41Å; L24-V68 HydrophobicContact CD2-CG2 4.37Å; L24-L78 HydrophobicContact CD2-CD1 3.78Å
25P91.9Very high93.4Very high79 Ų7946.2 Ų46.251%0.51323%0.23SC..THydrogen-bonded Turntrans-54.6-27.8174.1-27.335.4000114.1Q27 V68P25-Q27 PolarHBondContact O-N 3.46Å; P25-V68 HydrophobicContact CG-CG1 4.14Å
26C93.9Very high93.4Very high23 Ų2341.3 Ų41.316%0.15521%0.208CC..THydrogen-bonded Turntrans-8216.2173.262.80000114.2L24 H28 H66L24-C26 VanDerWaalsContact CB-SG 3.59Å; L24-C26 PolarHBondContact O-N 3.13Å; L24-C26 VanDerWaalsContact O-N 3.07Å; C26-H28 PolarHBondContact O-N 3.04Å; C26-H28 VanDerWaalsContact O-N 3.11Å; C26-H28 PolarHBondContact O-ND1 2.69Å; C26-H66 HydrophobicContact CB-CB 3.66Å
27Q93.4Very high93.4Very high138 Ų13842.8 Ų42.865%0.64522%0.217SC*.SBendtrans60.916.6177.3-54.7-64.3-10.500116L24 P25L24-Q27 WeakPolarHBondContact O-CA 3.41Å; L24-Q27 PolarHBondContact O-N 3.03Å; P25-Q27 PolarHBondContact O-N 3.46Å
28H94.3Very high93.3Very high68 Ų6843.6 Ų43.632%0.31522%0.223SC..  trans-92.9147.9174.4-72.786.3000111.1L24 C26 S63 C64L24-H28 PolarHBondContact N-O 3.29Å; C26-H28 PolarHBondContact O-N 3.04Å; C26-H28 VanDerWaalsContact O-N 3.11Å; C26-H28 PolarHBondContact O-ND1 2.69Å; H28-S63 WeakPolarHBondContact CD2-CB 3.48Å; H28-C64 PolarHBondContact ND1-SG 3.31Å
29N94.6Very high93.2Very high33 Ų3341.6 Ų41.618%0.17621%0.208CC..EExtended strand (participates in β ladder)trans-103.2142.1-176.2-62.2-79.1000111.2F17 V21 V22 N81F17-N29 HydrophobicContact CE1-CB 4.09Å; F17-N29 VanDerWaalsContact CE1-O 3.29Å; F17-N29 WeakPolarHBondContact CE1-O 3.34Å; F17-N29 HydrophobicContact CE2-CB 4.41Å; F17-N29 HydrophobicContact CZ-CB 3.86Å; V21-N29 HydrophobicContact CG1-CB 3.91Å; V22-N29 WeakPolarHBondContact O-CA 3.5Å; N29-N81 WeakPolarHBondContact OD1-CB 3.39Å; N29-N81 PolarHBondContact OD1-ND2 3.26Å
30L94.9Very high93Very high0 Ų042.6 Ų42.60%021%0.213CC..EExtended strand (participates in β ladder)trans-139.5154.3174.6-72.6170.9000110P11 I12 V22 L24 A35 P62P11-L30 HydrophobicContact CG-CD2 3.74Å; I12-L30 HydrophobicContact CG1-CD2 3.64Å; V22-L30 HydrophobicContact CG2-CB 4.17Å; V22-L30 WeakPolarHBondContact CG2-O 3.31Å; V22-L30 PolarHBondContact N-O 3.35Å; V22-L30 PolarHBondContact O-N 3.23Å; L24-L30 HydrophobicContact CD1-CD1 3.79Å; L24-L30 HydrophobicContact CD1-CG 4.49Å; L24-L30 HydrophobicContact CD2-CD1 4.41Å; L24-L30 HydrophobicContact CG-CD1 4.33Å; L30-A35 HydrophobicContact CB-CB 4.24Å; L30-A35 HydrophobicContact CD1-CB 4.15Å; L30-P62 HydrophobicContact CD1-CG 4.4Å; L30-P62 HydrophobicContact CD2-CG 4.44Å
31C96.4Very high92.6Very high2 Ų244.8 Ų44.81%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-62.4139.6161.3-53.20000108.7C10 T18 K33 C34 A35C10-C31 VanDerWaalsContact CB-SG 3.6Å; T18-C31 PolarHBondContact N-SG 3.47Å; C31-K33 PolarHBondContact O-N 2.97Å; C31-C34 HydrophobicContact CB-CB 4.06Å; C31-C34 WeakPolarHBondContact O-CB 3.36Å; C31-C34 PolarHBondContact O-N 3.34Å; C31-A35 PolarHBondContact O-N 2.96Å
32R94.1Very high92.1Very high58 Ų5847.2 Ų47.222%0.21925%0.254CS..Hα-helixtrans-55.1-38177-179.3174.9-68.6-177.3-5.9112.9P20 V22 A35 N36 V75P20-R32 HydrophobicContact CG-CB 3.71Å; P20-R32 HydrophobicContact CG-CG 4.26Å; P20-R32 VanDerWaalsContact CG-CZ 3.45Å; P20-R32 VanDerWaalsContact CG-NE 3.29Å; P20-R32 WeakPolarHBondContact O-CB 3.39Å; P20-R32 PolarHBondContact O-N 3.01Å; V22-R32 HydrophobicContact CG1-CB 3.97Å; V22-R32 HydrophobicContact CG1-CG 4.27Å; R32-A35 PolarHBondContact O-N 3.28Å; R32-N36 WeakPolarHBondContact O-CB 3.35Å; R32-N36 PolarHBondContact O-N 3.12Å; R32-V75 HydrophobicContact CG-CG1 4.4Å
33K93.8Very high91.4Very high158 Ų15848.6 Ų48.669%0.68726%0.261SS*.Hα-helixtrans-60.7-52.4175.4-172.3-178.5175.4-172.90110.9C31 A35 N36 D37C31-K33 PolarHBondContact O-N 2.97Å; K33-A35 VanDerWaalsContact C-N 3.32Å; K33-A35 PolarHBondContact O-N 2.88Å; K33-N36 WeakPolarHBondContact O-CA 3.36Å; K33-N36 WeakPolarHBondContact O-CB 3.39Å; K33-N36 PolarHBondContact O-N 3.23Å; K33-D37 VanDerWaalsContact O-CG 3.25Å; K33-D37 PolarHBondContact O-N 3.46Å
34C95.4Very high90.1Very high8 Ų851.8 Ų51.85%0.05429%0.285CS..Hα-helixtrans-58.7-40.5177.4-63.10000113.2I12 C31 N36 D37 V38I12-C34 HydrophobicContact CB-CB 3.68Å; I12-C34 HydrophobicContact CG1-CB 4.14Å; I12-C34 HydrophobicContact CG2-CB 3.64Å; C31-C34 HydrophobicContact CB-CB 4.06Å; C31-C34 WeakPolarHBondContact O-CB 3.36Å; C31-C34 PolarHBondContact O-N 3.34Å; C34-N36 VanDerWaalsContact C-N 3.29Å; C34-N36 PolarHBondContact O-N 3.44Å; C34-D37 PolarHBondContact O-N 3.3Å; C34-V38 VanDerWaalsContact O-CG2 3.24Å; C34-V38 WeakPolarHBondContact O-CG2 3.43Å; C34-V38 PolarHBondContact O-N 3.28Å
35A92.1Very high88.8Confident0 Ų062.2 Ų62.20%033%0.325CS..Hα-helixtrans-64.1-35.5175.100000112.1V22 L30 C31 R32 K33 F39 V75V22-A35 HydrophobicContact CG2-CB 3.79Å; L30-A35 HydrophobicContact CB-CB 4.24Å; L30-A35 HydrophobicContact CD1-CB 4.15Å; C31-A35 PolarHBondContact O-N 2.96Å; R32-A35 PolarHBondContact O-N 3.28Å; K33-A35 VanDerWaalsContact C-N 3.32Å; K33-A35 PolarHBondContact O-N 2.88Å; A35-F39 VanDerWaalsContact O-CB 3.26Å; A35-F39 WeakPolarHBondContact O-CB 3.28Å; A35-F39 PolarHBondContact O-N 3.36Å; A35-V75 HydrophobicContact CB-CG1 3.64Å
36N90.9Very high87.5Confident26 Ų2662.9 Ų62.914%0.13932%0.324CS..Hα-helixtrans-69.2-44.7175.6-163.5-25.4000111.4R32 K33 C34 V38 F39 Q40 V75 Y76R32-N36 WeakPolarHBondContact O-CB 3.35Å; R32-N36 PolarHBondContact O-N 3.12Å; K33-N36 WeakPolarHBondContact O-CA 3.36Å; K33-N36 WeakPolarHBondContact O-CB 3.39Å; K33-N36 PolarHBondContact O-N 3.23Å; C34-N36 VanDerWaalsContact C-N 3.29Å; C34-N36 PolarHBondContact O-N 3.44Å; N36-V38 PolarHBondContact O-N 2.93Å; N36-F39 WeakPolarHBondContact O-CB 3.45Å; N36-F39 PolarHBondContact O-N 3.23Å; N36-F39 VanDerWaalsContact O-N 3.16Å; N36-Q40 WeakPolarHBondContact O-CG 3.34Å; N36-Q40 PolarHBondContact O-N 3.33Å; N36-Q40 PolarHBondContact OD1-NE2 3.07Å; N36-V75 HydrophobicContact CB-CG1 4.28Å; N36-Y76 PolarHBondContact ND2-OH 3.14Å
37D90.9Very high85.6Confident74 Ų7467.2 Ų67.240%0.39635%0.352SS..Hα-helixtrans-62-43.8178.6-59.3-24.3000111.3K33 C34 F39 Q40 A41K33-D37 VanDerWaalsContact O-CG 3.25Å; K33-D37 PolarHBondContact O-N 3.46Å; C34-D37 PolarHBondContact O-N 3.3Å; D37-F39 VanDerWaalsContact C-N 3.34Å; D37-F39 PolarHBondContact O-N 3.09Å; D37-Q40 PolarHBondContact O-N 3.34Å; D37-A41 WeakPolarHBondContact O-CB 3.34Å; D37-A41 PolarHBondContact O-N 3.43Å
38V91Very high83.9Confident30 Ų3066.8 Ų66.818%0.18236%0.359CS..Hα-helixtrans-63.7-40.3175.1174.20000111.3I12 C34 N36 A42 F59 P62I12-V38 HydrophobicContact CD1-CG2 4.04Å; I12-V38 HydrophobicContact CG1-CG2 4.2Å; C34-V38 VanDerWaalsContact O-CG2 3.24Å; C34-V38 WeakPolarHBondContact O-CG2 3.43Å; C34-V38 PolarHBondContact O-N 3.28Å; N36-V38 PolarHBondContact O-N 2.93Å; V38-A42 WeakPolarHBondContact O-CB 3.37Å; V38-A42 PolarHBondContact O-N 3.02Å; V38-F59 HydrophobicContact CB-CD2 4.4Å; V38-F59 HydrophobicContact CG1-CB 4.36Å; V38-F59 HydrophobicContact CG1-CD2 3.51Å; V38-F59 HydrophobicContact CG1-CE2 4.15Å; V38-F59 HydrophobicContact CG1-CG 4.25Å; V38-P62 HydrophobicContact CG2-CG 4.22Å
39F89.6Confident81.7Confident37 Ų3774.3 Ų74.316%0.16238%0.384CS..Hα-helixtrans-64.3-44.1177.2173-105.3000112.6A35 N36 D37 A42 N43 F59 L70 V75A35-F39 VanDerWaalsContact O-CB 3.26Å; A35-F39 WeakPolarHBondContact O-CB 3.28Å; A35-F39 PolarHBondContact O-N 3.36Å; N36-F39 WeakPolarHBondContact O-CB 3.45Å; N36-F39 PolarHBondContact O-N 3.23Å; N36-F39 VanDerWaalsContact O-N 3.16Å; D37-F39 VanDerWaalsContact C-N 3.34Å; D37-F39 PolarHBondContact O-N 3.09Å; F39-A42 PolarHBondContact O-N 3.04Å; F39-N43 PolarHBondContact O-N 3.28Å; F39-N43 PolarHBondContact O-ND2 2.87Å; F39-F59 HydrophobicContact CB-CD1 4.31Å; F39-F59 HydrophobicContact CD2-CD1 4.08Å; F39-L70 HydrophobicContact CD2-CD1 3.46Å; F39-L70 VanDerWaalsContact CD2-CD1 3.46Å; F39-L70 HydrophobicContact CE2-CD1 3.61Å; F39-L70 HydrophobicContact CG-CD1 4.1Å; F39-L70 HydrophobicContact CZ-CD1 4.36Å; F39-V75 HydrophobicContact CB-CG2 3.62Å; F39-V75 HydrophobicContact CD1-CG2 4.16Å; F39-V75 HydrophobicContact CD2-CG2 4.5Å; F39-V75 HydrophobicContact CG-CG2 3.84Å
40Q86.1Confident79.7Confident95 Ų9579 Ų7944%0.44442%0.42SS..Hα-helixtrans-65.6-43.9177.2-72-179.928.400111.6N36 D37 A42 N43N36-Q40 WeakPolarHBondContact O-CG 3.34Å; N36-Q40 PolarHBondContact O-N 3.33Å; N36-Q40 PolarHBondContact OD1-NE2 3.07Å; D37-Q40 PolarHBondContact O-N 3.34Å; Q40-A42 VanDerWaalsContact C-N 3.27Å; Q40-A42 PolarHBondContact O-N 3.46Å; Q40-N43 CarbonylContact O-C 3.6Å; Q40-N43 VanDerWaalsContact O-C 3.3Å; Q40-N43 PolarHBondContact O-N 3.12Å; Q40-N43 VanDerWaalsContact O-N 3.1Å
41A85.4Confident77.4Confident77 Ų7782.7 Ų82.764%0.63646%0.458SS*.Hα-helixtrans-61.3-36.9176.400000112.2D37 N43D37-A41 WeakPolarHBondContact O-CB 3.34Å; D37-A41 PolarHBondContact O-N 3.43Å; A41-N43 VanDerWaalsContact C-N 3.3Å; A41-N43 PolarHBondContact O-N 3.49Å
42A83.5Confident74.8Confident52 Ų5287.6 Ų87.643%0.4349%0.492SS..Hα-helixtrans-76.2-14.3177.300000113.8V38 F39 Q40 F59V38-A42 WeakPolarHBondContact O-CB 3.37Å; V38-A42 PolarHBondContact O-N 3.02Å; F39-A42 PolarHBondContact O-N 3.04Å; Q40-A42 VanDerWaalsContact C-N 3.27Å; Q40-A42 PolarHBondContact O-N 3.46Å; A42-F59 HydrophobicContact CB-CB 3.87Å
43N79.3Confident72.7Confident28 Ų2893.2 Ų93.215%0.1553%0.526CS..  trans-135.765.5-176.1-61.8-86.4000112.4F39 Q40 A41 Y45 L46 R58F39-N43 PolarHBondContact O-N 3.28Å; F39-N43 PolarHBondContact O-ND2 2.87Å; Q40-N43 CarbonylContact O-C 3.6Å; Q40-N43 VanDerWaalsContact O-C 3.3Å; Q40-N43 PolarHBondContact O-N 3.12Å; Q40-N43 VanDerWaalsContact O-N 3.1Å; A41-N43 VanDerWaalsContact C-N 3.3Å; A41-N43 PolarHBondContact O-N 3.49Å; N43-Y45 PolarHBondContact O-N 3.5Å; N43-Y45 VanDerWaalsContact O-N 3.12Å; N43-L46 HydrophobicContact CB-CD1 4.16Å; N43-L46 PolarHBondContact O-N 3.04Å; N43-R58 PolarHBondContact ND2-O 3.43Å
44P68.4Low70.4Confident99 Ų9991.5 Ų91.564%0.64353%0.528SS*.THydrogen-bonded Turntrans-65.7-18.9-172.1-18.831.8000114.9
45Y64.4Low68.5Low221 Ų22195.7 Ų95.787%0.86756%0.558SS**THydrogen-bonded Turntrans-102.60.3-174-57.5-75.1000114.1N43 P47N43-Y45 PolarHBondContact O-N 3.5Å; N43-Y45 VanDerWaalsContact O-N 3.12Å; Y45-P47 WeakPolarHBondContact O-CD 3.07Å
46L64.3Low67.1Low93 Ų9397.3 Ų97.349%0.48758%0.575SS.*SBendtrans-89118.7174.7-9389.4000110.5N43N43-L46 HydrophobicContact CB-CD1 4.16Å; N43-L46 PolarHBondContact O-N 3.04Å
47P55.9Low66.5Low115 Ų11596.5 Ų96.575%0.74757%0.573SS**  trans-68.1135.5177.8-13.327.2000111.4Y45 R49Y45-P47 WeakPolarHBondContact O-CD 3.07Å; P47-R49 PolarHBondContact O-N 3.34Å
48T55.8Low66.4Low129 Ų129100.4 Ų100.479%0.79158%0.582SS**SBendtrans-68.23.6176.731.50000114.8
49R49.2Very low66.5Low225 Ų22599.3 Ų99.385%0.84958%0.575SS**SBendtrans-116.2104178.9-87.5-171.7170-154.1-1.1111.7P47P47-R49 PolarHBondContact O-N 3.34Å
50S52.2Low66.6Low132 Ų132105.3 Ų105.392%0.92360%0.596SS**SBendtrans14.6108151.2-174.30000116.2
51G46.1Very low67Low77 Ų77100.9 Ų100.979%0.79458%0.576SS**  trans160.911.1164.800000119.9
52S42.7Very low67.3Low106 Ų10699.6 Ų99.674%0.74156%0.561SS**  trans-122.2115.9173.7-166.80000111.2T54S52-T54 PolarHBondContact O-N 2.95Å
53L50.7Low67.7Low176 Ų17699.8 Ų99.892%0.92156%0.559SS**  trans-847.9-164.1-83.7163.9000115.4
54T45.3Very low68.4Low121 Ų121101.1 Ų101.174%0.74257%0.57SS**SBendtrans-142.413.8-165.756.40000118.3S52S52-T54 PolarHBondContact O-N 2.95Å
55S54.4Low69.5Low96 Ų96105.9 Ų105.967%0.67158%0.575SS**  trans-149.3104.7167.8-91.70000113.1G57S55-G57 PolarHBondContact O-N 3.16Å
56G64.2Low70.9Confident34 Ų34100 Ų10035%0.35156%0.555SS.*  trans-63.6126.6159.400000108.8L70G56-L70 CarbonylContact C-O 3.53Å; G56-L70 VanDerWaalsContact CA-O 3.26Å; G56-L70 WeakPolarHBondContact CA-O 3.41Å
57G77.8Confident72.2Confident10 Ų10100.1 Ų100.110%0.10355%0.554CS.*  trans-70.9168.3-175.100000112.1S55 L70S55-G57 PolarHBondContact O-N 3.16Å; G57-L70 WeakPolarHBondContact O-CB 3.41Å; G57-L70 PolarHBondContact O-N 3.49Å
58R88.4Confident73.9Confident156 Ų15694.7 Ų94.759%0.58952%0.518SS*.EExtended strand (participates in β ladder)trans-125.9149.7-178.659.3179.8178.3-86.5-2.7111.1N43 V68N43-R58 PolarHBondContact ND2-O 3.43Å; R58-V68 VanDerWaalsContact CA-O 3.27Å; R58-V68 WeakPolarHBondContact CA-O 3.32Å
59F92.1Very high75.4Confident6 Ų693.1 Ų93.13%0.02651%0.508CS..EExtended strand (participates in β ladder)trans-148.9164.9169.973.1-82000109.8L24 V38 F39 A42 V68 L70L24-F59 HydrophobicContact CD1-CE2 4.4Å; L24-F59 HydrophobicContact CD2-CE2 4.3Å; L24-F59 HydrophobicContact CD2-CZ 3.64Å; V38-F59 HydrophobicContact CB-CD2 4.4Å; V38-F59 HydrophobicContact CG1-CB 4.36Å; V38-F59 HydrophobicContact CG1-CD2 3.51Å; V38-F59 HydrophobicContact CG1-CE2 4.15Å; V38-F59 HydrophobicContact CG1-CG 4.25Å; F39-F59 HydrophobicContact CB-CD1 4.31Å; F39-F59 HydrophobicContact CD2-CD1 4.08Å; A42-F59 HydrophobicContact CB-CB 3.87Å; F59-V68 HydrophobicContact CD1-CB 4.17Å; F59-V68 HydrophobicContact CD1-CG1 4.35Å; F59-V68 HydrophobicContact CE1-CB 3.87Å; F59-V68 HydrophobicContact CE1-CG1 3.69Å; F59-V68 HydrophobicContact CE2-CB 4.49Å; F59-V68 HydrophobicContact CZ-CB 4.06Å; F59-V68 HydrophobicContact CZ-CG1 4.02Å; F59-V68 HydrophobicContact CZ-CG2 4.34Å; F59-V68 PolarHBondContact N-O 3.43Å; F59-V68 PolarHBondContact O-N 2.9Å; F59-L70 HydrophobicContact CD1-CD1 4.04Å; F59-L70 HydrophobicContact CD1-CG 4.42Å; F59-L70 HydrophobicContact CE1-CD1 3.91Å; F59-L70 HydrophobicContact CE1-CD2 4.16Å; F59-L70 HydrophobicContact CE1-CG 4.17Å
60R93.3Very high77.2Confident163 Ų16382.9 Ų82.962%0.61547%0.47SS*.EExtended strand (participates in β ladder)trans-98.6137.3177.5-67.7-169.2176.3-158.1-0.5111.2P62 H66R60-P62 WeakPolarHBondContact O-CD 3.24Å; R60-H66 WeakPolarHBondContact CA-O 3.18Å
61C93.6Very high78.6Confident2 Ų280.2 Ų80.21%0.01445%0.446CS..  trans-58.4126.5174.2176.70000110.2L24 S63 R65 H66L24-C61 HydrophobicContact CD1-CB 3.85Å; C61-S63 PolarHBondContact O-N 3.47Å; C61-S63 PolarHBondContact SG-N 3.19Å; C61-S63 VanDerWaalsContact SG-N 3.42Å; C61-R65 WeakPolarHBondContact O-CA 3.41Å; C61-R65 PolarHBondContact O-N 3.21Å; C61-H66 HydrophobicContact CB-CB 4.43Å; C61-H66 PolarHBondContact N-O 2.98Å
62P92.3Very high80.2Confident51 Ų5187.1 Ų87.133%0.33145%0.448SS..THydrogen-bonded Turntrans-61.9-30178.1-24.334.2000113.9I12 L30 V38 R60I12-P62 HydrophobicContact CD1-CB 3.49Å; I12-P62 VanDerWaalsContact CD1-CB 3.49Å; I12-P62 HydrophobicContact CD1-CG 3.4Å; I12-P62 HydrophobicContact CG1-CB 4.32Å; I12-P62 HydrophobicContact CG1-CG 3.94Å; L30-P62 HydrophobicContact CD1-CG 4.4Å; L30-P62 HydrophobicContact CD2-CG 4.44Å; V38-P62 HydrophobicContact CG2-CG 4.22Å; R60-P62 WeakPolarHBondContact O-CD 3.24Å
63S91.6Very high82.1Confident56 Ų5686.7 Ų86.739%0.39243%0.434SS..THydrogen-bonded Turntrans-82.9-42-175.4-51.50000113.5H28 C61H28-S63 WeakPolarHBondContact CD2-CB 3.48Å; C61-S63 PolarHBondContact O-N 3.47Å; C61-S63 PolarHBondContact SG-N 3.19Å; C61-S63 VanDerWaalsContact SG-N 3.42Å
64C94.1Very high83.8Confident55 Ų5579 Ų7937%0.37240%0.397SS..THydrogen-bonded Turntrans-126.22.4-173.265.90000114.4H28 H66H28-C64 PolarHBondContact ND1-SG 3.31Å; C64-H66 PolarHBondContact O-N 3.08Å; C64-H66 VanDerWaalsContact SG-CB 3.57Å
65R92.1Very high85.8Confident199 Ų19973.4 Ų73.475%0.75136%0.362SS*.  trans59.68.3-179-56.4-177.2178.5174.4-0.3115.7C61C61-R65 WeakPolarHBondContact O-CA 3.41Å; C61-R65 PolarHBondContact O-N 3.21Å
66H93.3Very high87.4Confident97 Ų9775.9 Ų75.945%0.44936%0.358SS..  trans-58.6137.2173.5-17385.3000110.9C26 R60 C61 C64 V68C26-H66 HydrophobicContact CB-CB 3.66Å; R60-H66 WeakPolarHBondContact CA-O 3.18Å; C61-H66 HydrophobicContact CB-CB 4.43Å; C61-H66 PolarHBondContact N-O 2.98Å; C64-H66 PolarHBondContact O-N 3.08Å; C64-H66 VanDerWaalsContact SG-CB 3.57Å; H66-V68 PolarHBondContact O-N 3.11Å
67E92.3Very high88.4Confident97 Ų9776.2 Ų76.245%0.45336%0.361SS..EExtended strand (participates in β ladder)trans-76.2120.4178.2-174.1168.4-98.700110.3
68V90.3Very high89Confident0 Ų076.7 Ų76.70%036%0.362CS..EExtended strand (participates in β ladder)trans-102.1115.6177.8-179.80000108.1L24 P25 R58 F59 H66 L70L24-V68 HydrophobicContact CB-CG2 4.29Å; L24-V68 HydrophobicContact CD1-CG2 4.23Å; L24-V68 HydrophobicContact CD2-CG1 4.41Å; L24-V68 HydrophobicContact CD2-CG2 4.37Å; P25-V68 HydrophobicContact CG-CG1 4.14Å; R58-V68 VanDerWaalsContact CA-O 3.27Å; R58-V68 WeakPolarHBondContact CA-O 3.32Å; F59-V68 HydrophobicContact CD1-CB 4.17Å; F59-V68 HydrophobicContact CD1-CG1 4.35Å; F59-V68 HydrophobicContact CE1-CB 3.87Å; F59-V68 HydrophobicContact CE1-CG1 3.69Å; F59-V68 HydrophobicContact CE2-CB 4.49Å; F59-V68 HydrophobicContact CZ-CB 4.06Å; F59-V68 HydrophobicContact CZ-CG1 4.02Å; F59-V68 HydrophobicContact CZ-CG2 4.34Å; F59-V68 PolarHBondContact N-O 3.43Å; F59-V68 PolarHBondContact O-N 2.9Å; H66-V68 PolarHBondContact O-N 3.11Å; V68-L70 HydrophobicContact CG1-CD2 4.01Å
69V88.5Confident89.2Confident96 Ų9676.6 Ų76.658%0.58237%0.368SS*.EExtended strand (participates in β ladder)trans-95.6126.1173-176.50000108.3
70L86.3Confident89.3Confident11 Ų1181.9 Ų81.96%0.05839%0.387CS..  trans-98.3157.6179.9-61.2172.3000110.9F39 G56 G57 F59 V68 V75 L78F39-L70 HydrophobicContact CD2-CD1 3.46Å; F39-L70 VanDerWaalsContact CD2-CD1 3.46Å; F39-L70 HydrophobicContact CE2-CD1 3.61Å; F39-L70 HydrophobicContact CG-CD1 4.1Å; F39-L70 HydrophobicContact CZ-CD1 4.36Å; G56-L70 CarbonylContact C-O 3.53Å; G56-L70 VanDerWaalsContact CA-O 3.26Å; G56-L70 WeakPolarHBondContact CA-O 3.41Å; G57-L70 WeakPolarHBondContact O-CB 3.41Å; G57-L70 PolarHBondContact O-N 3.49Å; F59-L70 HydrophobicContact CD1-CD1 4.04Å; F59-L70 HydrophobicContact CD1-CG 4.42Å; F59-L70 HydrophobicContact CE1-CD1 3.91Å; F59-L70 HydrophobicContact CE1-CD2 4.16Å; F59-L70 HydrophobicContact CE1-CG 4.17Å; V68-L70 HydrophobicContact CG1-CD2 4.01Å; L70-V75 HydrophobicContact CD1-CG2 3.75Å; L70-L78 HydrophobicContact CD2-CD1 4.07Å; L70-L78 HydrophobicContact CD2-CD2 3.76Å; L70-L78 HydrophobicContact CD2-CG 3.86Å
71D82Confident89.2Confident75 Ų7575.5 Ų75.540%0.40137%0.366SS..  trans-87.2-169.4174.374.3-13.7000111.1H73 G74D71-H73 PolarHBondContact O-N 2.71Å; D71-H73 VanDerWaalsContact O-N 3.11Å; D71-H73 WeakPolarHBondContact OD1-CA 3.36Å; D71-H73 WeakPolarHBondContact OD1-CB 3.31Å; D71-H73 PolarHBondContact OD1-N 3.41Å; D71-H73 IonicContact OD1-ND1 2.69Å; D71-H73 IonicContact OD2-CE1 3.79Å; D71-H73 IonicContact OD2-CG 2.82Å; D71-H73 IonicContact OD2-ND1 2.71Å; D71-H73 PolarHBondContact OD2-ND1 3.36Å; D71-G74 PolarHBondContact O-N 2.91Å; D71-G74 PolarHBondContact OD1-N 3.04Å
72R80.1Confident89.2Confident222 Ų22280.3 Ų80.384%0.83839%0.391SS*.THydrogen-bonded Turntrans-59.2-18.8175.766.2-179.1-178.4-122.3-0.4114.4
73H81.6Confident89.1Confident97 Ų9783.6 Ų83.645%0.44941%0.405SS..THydrogen-bonded Turntrans-94-1.6179.3-49.4103.3000112.3D71 Y76 G77D71-H73 PolarHBondContact O-N 2.71Å; D71-H73 VanDerWaalsContact O-N 3.11Å; D71-H73 WeakPolarHBondContact OD1-CA 3.36Å; D71-H73 WeakPolarHBondContact OD1-CB 3.31Å; D71-H73 PolarHBondContact OD1-N 3.41Å; D71-H73 IonicContact OD1-ND1 2.69Å; D71-H73 IonicContact OD2-CE1 3.79Å; D71-H73 IonicContact OD2-CG 2.82Å; D71-H73 IonicContact OD2-ND1 2.71Å; D71-H73 PolarHBondContact OD2-ND1 3.36Å; H73-Y76 PolarHBondContact O-N 3.22Å; H73-G77 PolarHBondContact O-N 3.15Å
74G86.2Confident89Confident14 Ų1481.8 Ų81.814%0.14439%0.391CS..G310 helixtrans58.8-14217600000112.5D71 Y76 G77D71-G74 PolarHBondContact O-N 2.91Å; D71-G74 PolarHBondContact OD1-N 3.04Å; G74-Y76 PolarHBondContact O-N 3.34Å; G74-G77 PolarHBondContact O-N 3.36Å; G74-G77 VanDerWaalsContact O-N 3.08Å
75V86.9Confident88.9Confident4 Ų479.5 Ų79.52%0.02438%0.375CS..G310 helixtrans-63.3-24.1-179.2175.90000112.5R32 A35 N36 F39 L70 G77 L78R32-V75 HydrophobicContact CG-CG1 4.4Å; A35-V75 HydrophobicContact CB-CG1 3.64Å; N36-V75 HydrophobicContact CB-CG1 4.28Å; F39-V75 HydrophobicContact CB-CG2 3.62Å; F39-V75 HydrophobicContact CD1-CG2 4.16Å; F39-V75 HydrophobicContact CD2-CG2 4.5Å; F39-V75 HydrophobicContact CG-CG2 3.84Å; L70-V75 HydrophobicContact CD1-CG2 3.75Å; V75-G77 VanDerWaalsContact C-N 3.28Å; V75-G77 PolarHBondContact O-N 2.93Å; V75-L78 HydrophobicContact CG1-CD1 4.27Å; V75-L78 WeakPolarHBondContact O-CB 3.34Å; V75-L78 PolarHBondContact O-N 2.95Å
76Y88.3Confident88.7Confident149 Ų14974.4 Ų74.458%0.58436%0.363SS*.G310 helixtrans-75.1-18.6177.9-63.9-90.3000113.1N36 H73 G74 L78N36-Y76 PolarHBondContact ND2-OH 3.14Å; H73-Y76 PolarHBondContact O-N 3.22Å; G74-Y76 PolarHBondContact O-N 3.34Å; Y76-L78 VanDerWaalsContact C-N 3.32Å
77G84.8Confident88.5Confident40 Ų4072.7 Ų72.741%0.41236%0.356SS..G310 helixtrans-78.4-13.1173.400000114.1H73 G74 V75H73-G77 PolarHBondContact O-N 3.15Å; G74-G77 PolarHBondContact O-N 3.36Å; G74-G77 VanDerWaalsContact O-N 3.08Å; V75-G77 VanDerWaalsContact C-N 3.28Å; V75-G77 PolarHBondContact O-N 2.93Å
78L90.8Very high88.3Confident21 Ų2168.1 Ų68.111%0.1134%0.335CS..SBendtrans-67.6136.4177.8-67171.7000111.2V22 L24 L70 V75 Y76V22-L78 HydrophobicContact CB-CB 3.99Å; V22-L78 HydrophobicContact CB-CD1 4.4Å; V22-L78 HydrophobicContact CG1-CB 4.18Å; V22-L78 HydrophobicContact CG2-CD1 4.26Å; L24-L78 HydrophobicContact CD2-CD1 3.78Å; L70-L78 HydrophobicContact CD2-CD1 4.07Å; L70-L78 HydrophobicContact CD2-CD2 3.76Å; L70-L78 HydrophobicContact CD2-CG 3.86Å; V75-L78 HydrophobicContact CG1-CD1 4.27Å; V75-L78 WeakPolarHBondContact O-CB 3.34Å; V75-L78 PolarHBondContact O-N 2.95Å; Y76-L78 VanDerWaalsContact C-N 3.32Å
79Q92.4Very high88.1Confident154 Ų15471 Ų7172%0.7235%0.351SS*.PPolyproline II helixtrans-63.9146.9179.7-69.4-173.3-39.600111.1V22 I23V22-Q79 CarbonylContact C-O 3.59Å; V22-Q79 WeakPolarHBondContact CA-O 3.39Å; I23-Q79 HydrophobicContact CG2-CB 3.81Å; I23-Q79 PolarHBondContact N-O 2.84Å
80R94.6Very high87.9Confident116 Ų11672.9 Ų72.944%0.43836%0.355SS..BIsolated β-bridgetrans-87.6140.1174.4-70.1176.468.7172.44.4110.6P20 V21 L82 E85P20-R80 HydrophobicContact CB-CG 4.13Å; P20-R80 VanDerWaalsContact CB-NE 3.27Å; V21-R80 CarbonylContact O-C 3.3Å; V21-R80 WeakPolarHBondContact O-CA 3.32Å; R80-L82 HydrophobicContact CB-CD2 4.35Å; R80-L82 PolarHBondContact O-N 3.2Å; R80-E85 IonicContact CZ-OE1 2.59Å; R80-E85 IonicContact CZ-OE2 3.03Å; R80-E85 IonicContact NE-OE1 2.76Å; R80-E85 PolarHBondContact NE-OE1 3.07Å; R80-E85 IonicContact NE-OE2 3.4Å; R80-E85 VanDerWaalsContact NH2-CD 3.28Å; R80-E85 IonicContact NH2-OE1 2.93Å; R80-E85 PolarHBondContact NH2-OE1 3.39Å; R80-E85 IonicContact NH2-OE2 3.87Å; R80-E85 PolarHBondContact NH2-OE2 3.46Å
81N92.1Very high87.8Confident29 Ų2974 Ų7416%0.15536%0.359CS..  trans-94.283.8172.6-165.8-21.9000110.6V21 I23 N29 L83 V84 E85V21-N81 PolarHBondContact O-N 3.06Å; I23-N81 HydrophobicContact CB-CB 4.43Å; N29-N81 WeakPolarHBondContact OD1-CB 3.39Å; N29-N81 PolarHBondContact OD1-ND2 3.26Å; N81-L83 PolarHBondContact O-N 3.28Å; N81-L83 WeakPolarHBondContact OD1-CB 3.24Å; N81-L83 PolarHBondContact OD1-N 3.01Å; N81-V84 HydrophobicContact CB-CB 4.33Å; N81-V84 HydrophobicContact CB-CG2 4.33Å; N81-V84 WeakPolarHBondContact ND2-CG2 3.49Å; N81-V84 PolarHBondContact O-N 3.48Å; N81-V84 PolarHBondContact OD1-N 2.84Å; N81-E85 WeakPolarHBondContact O-CG 3.35Å; N81-E85 PolarHBondContact O-N 2.78Å; N81-E85 VanDerWaalsContact O-N 3.13Å
82L92.3Very high87.7Confident103 Ų10375.2 Ų75.254%0.53936%0.361SS..Hα-helixtrans-62.5-27.1-178.2-61178.4000113R80 E85 N86R80-L82 HydrophobicContact CB-CD2 4.35Å; R80-L82 PolarHBondContact O-N 3.2Å; L82-E85 PolarHBondContact O-N 3Å; L82-N86 WeakPolarHBondContact O-CB 3.43Å; L82-N86 PolarHBondContact O-N 3.4Å; L82-N86 PolarHBondContact O-ND2 3.31Å; L82-N86 PolarHBondContact O-OD1 3.28Å
83L90.7Very high87.6Confident120 Ų12071.1 Ų71.163%0.62835%0.351SS*.Hα-helixtrans-63.4-49.5176.3-179.171000110.6N81 E85 N86 I87N81-L83 PolarHBondContact O-N 3.28Å; N81-L83 WeakPolarHBondContact OD1-CB 3.24Å; N81-L83 PolarHBondContact OD1-N 3.01Å; L83-E85 VanDerWaalsContact C-N 3.29Å; L83-E85 PolarHBondContact O-N 3.42Å; L83-N86 PolarHBondContact O-N 2.6Å; L83-I87 HydrophobicContact CD1-CD1 4.47Å; L83-I87 HydrophobicContact CG-CD1 4.04Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 3.48Å; L83-I87 PolarHBondContact O-N 3.26Å
84V90.2Very high87Confident18 Ų1872 Ų7211%0.10936%0.355CS..Hα-helixtrans-62.6-40.8176.6174.20000110.4F17 V21 N81 N86 I87 I88F17-V84 HydrophobicContact CD2-CG1 4.05Å; V21-V84 HydrophobicContact CG1-CG1 4.14Å; V21-V84 HydrophobicContact CG2-CG1 4.48Å; N81-V84 HydrophobicContact CB-CB 4.33Å; N81-V84 HydrophobicContact CB-CG2 4.33Å; N81-V84 WeakPolarHBondContact ND2-CG2 3.49Å; N81-V84 PolarHBondContact O-N 3.48Å; N81-V84 PolarHBondContact OD1-N 2.84Å; V84-N86 VanDerWaalsContact C-N 3.32Å; V84-N86 PolarHBondContact O-N 3.35Å; V84-I87 PolarHBondContact O-N 3.14Å; V84-I88 HydrophobicContact CG1-CD1 3.84Å; V84-I88 VanDerWaalsContact O-CD1 3.28Å; V84-I88 WeakPolarHBondContact O-CD1 3.34Å; V84-I88 WeakPolarHBondContact O-CG1 3.48Å; V84-I88 PolarHBondContact O-N 2.85Å; V84-I88 VanDerWaalsContact O-N 3.08Å
85E90.3Very high86Confident8 Ų874.9 Ų74.94%0.03737%0.374CS..Hα-helixtrans-60.1-38.8175.1-67.7-169.3-159.800113.2K19 P20 V21 R80 N81 L82 L83 D89K19-E85 HydrophobicContact CD-CB 4.15Å; K19-E85 HydrophobicContact CD-CG 4.22Å; K19-E85 WeakPolarHBondContact CE-O 3.48Å; K19-E85 HydrophobicContact CG-CB 4.4Å; K19-E85 HydrophobicContact CG-CG 4.01Å; K19-E85 PolarHBondContact NZ-O 2.94Å; P20-E85 WeakPolarHBondContact CA-OE1 3.5Å; V21-E85 HydrophobicContact CB-CG 4.03Å; V21-E85 HydrophobicContact CG2-CG 3.85Å; V21-E85 PolarHBondContact N-OE1 2.93Å; R80-E85 IonicContact CZ-OE1 2.59Å; R80-E85 IonicContact CZ-OE2 3.03Å; R80-E85 IonicContact NE-OE1 2.76Å; R80-E85 PolarHBondContact NE-OE1 3.07Å; R80-E85 IonicContact NE-OE2 3.4Å; R80-E85 VanDerWaalsContact NH2-CD 3.28Å; R80-E85 IonicContact NH2-OE1 2.93Å; R80-E85 PolarHBondContact NH2-OE1 3.39Å; R80-E85 IonicContact NH2-OE2 3.87Å; R80-E85 PolarHBondContact NH2-OE2 3.46Å; N81-E85 WeakPolarHBondContact O-CG 3.35Å; N81-E85 PolarHBondContact O-N 2.78Å; N81-E85 VanDerWaalsContact O-N 3.13Å; L82-E85 PolarHBondContact O-N 3Å; L83-E85 VanDerWaalsContact C-N 3.29Å; L83-E85 PolarHBondContact O-N 3.42Å; E85-D89 PolarHBondContact O-N 3.4Å
86N89.4Confident84.8Confident92 Ų9278.6 Ų78.649%0.49240%0.399SS..Hα-helixtrans-72.8-39178.2-69.2-16.9000112.2L82 L83 V84 I88 D89 M90L82-N86 WeakPolarHBondContact O-CB 3.43Å; L82-N86 PolarHBondContact O-N 3.4Å; L82-N86 PolarHBondContact O-ND2 3.31Å; L82-N86 PolarHBondContact O-OD1 3.28Å; L83-N86 PolarHBondContact O-N 2.6Å; V84-N86 VanDerWaalsContact C-N 3.32Å; V84-N86 PolarHBondContact O-N 3.35Å; N86-I88 VanDerWaalsContact C-N 3.29Å; N86-I88 PolarHBondContact O-N 3.34Å; N86-D89 PolarHBondContact O-N 3.08Å; N86-M90 PolarHBondContact O-N 3.36Å
87I88.8Confident83.2Confident60 Ų6075.8 Ų75.831%0.30840%0.402SS..Hα-helixtrans-61.6-40.9176.3-67.1164.9000110.4L8 L83 V84 D89 M90 F91L8-I87 HydrophobicContact CD1-CG2 3.89Å; L8-I87 HydrophobicContact CD2-CG2 3.86Å; L8-I87 HydrophobicContact CG-CG2 4.48Å; L83-I87 HydrophobicContact CD1-CD1 4.47Å; L83-I87 HydrophobicContact CG-CD1 4.04Å; L83-I87 VanDerWaalsContact O-CG1 3.29Å; L83-I87 WeakPolarHBondContact O-CG1 3.48Å; L83-I87 PolarHBondContact O-N 3.26Å; V84-I87 PolarHBondContact O-N 3.14Å; I87-D89 VanDerWaalsContact C-N 3.31Å; I87-D89 PolarHBondContact O-N 3.48Å; I87-M90 PolarHBondContact O-N 2.9Å; I87-F91 WeakPolarHBondContact O-CB 3.41Å; I87-F91 PolarHBondContact O-N 2.78Å
88I87.5Confident81.5Confident1 Ų179.3 Ų79.31%0.00542%0.42CS..Hα-helixtrans-62.2-38.6176.3-67.1159.3000111.4L8 F17 V21 V84 N86 K92L8-I88 HydrophobicContact CD1-CG1 4.49Å; L8-I88 HydrophobicContact CD2-CG1 4.27Å; F17-I88 HydrophobicContact CB-CD1 3.64Å; V21-I88 HydrophobicContact CG2-CD1 4.36Å; V84-I88 HydrophobicContact CG1-CD1 3.84Å; V84-I88 VanDerWaalsContact O-CD1 3.28Å; V84-I88 WeakPolarHBondContact O-CD1 3.34Å; V84-I88 WeakPolarHBondContact O-CG1 3.48Å; V84-I88 PolarHBondContact O-N 2.85Å; V84-I88 VanDerWaalsContact O-N 3.08Å; N86-I88 VanDerWaalsContact C-N 3.29Å; N86-I88 PolarHBondContact O-N 3.34Å; I88-K92 HydrophobicContact CG2-CD 4.06Å; I88-K92 WeakPolarHBondContact O-CB 3.29Å; I88-K92 VanDerWaalsContact O-CG 3.28Å; I88-K92 WeakPolarHBondContact O-CG 3.34Å; I88-K92 PolarHBondContact O-N 2.95Å
89D87.1Confident79.2Confident62 Ų6283.1 Ų83.133%0.33245%0.449SS..Hα-helixtrans-67.5-43.7177.7-71.4-13.9000111.9K19 E85 N86 I87 K92 Q93K19-D89 VanDerWaalsContact CE-OD1 3.25Å; K19-D89 WeakPolarHBondContact CE-OD1 3.35Å; K19-D89 IonicContact NZ-OD1 2.98Å; K19-D89 PolarHBondContact NZ-OD1 3.48Å; K19-D89 IonicContact NZ-OD2 3.61Å; K19-D89 PolarHBondContact NZ-OD2 3.11Å; E85-D89 PolarHBondContact O-N 3.4Å; N86-D89 PolarHBondContact O-N 3.08Å; I87-D89 VanDerWaalsContact C-N 3.31Å; I87-D89 PolarHBondContact O-N 3.48Å; D89-K92 PolarHBondContact O-N 2.89Å; D89-Q93 VanDerWaalsContact O-CG 3.3Å; D89-Q93 WeakPolarHBondContact O-CG 3.42Å; D89-Q93 PolarHBondContact O-N 3.44Å
90M84.1Confident76.6Confident135 Ų13587.1 Ų87.167%0.66546%0.457SS*.Hα-helixtrans-60.7-45.7176.1-71.3-17860.800111.3N86 I87 K92 Q93 E94N86-M90 PolarHBondContact O-N 3.36Å; I87-M90 PolarHBondContact O-N 2.9Å; M90-K92 PolarHBondContact O-N 2.86Å; M90-Q93 PolarHBondContact O-N 3.3Å; M90-E94 PolarHBondContact O-N 3.39Å
91F82.7Confident74.1Confident33 Ų3387.1 Ų87.115%0.14547%0.472CS..Hα-helixtrans-61.6-43.7178.4-171.5-87.5000111.9E5 L8 M16 I87 Q93 E94 S95E5-F91 HydrophobicContact CB-CE2 4.49Å; E5-F91 HydrophobicContact CB-CZ 4.08Å; E5-F91 HydrophobicContact CG-CZ 4.23Å; L8-F91 HydrophobicContact CD1-CB 4.39Å; L8-F91 HydrophobicContact CD1-CG 4.41Å; M16-F91 HydrophobicContact CE-CD1 3.37Å; M16-F91 HydrophobicContact CE-CE1 3.18Å; M16-F91 HydrophobicContact CE-CG 4.27Å; M16-F91 HydrophobicContact CE-CZ 3.97Å; M16-F91 HydrophobicContact SD-CD1 4.28Å; M16-F91 HydrophobicContact SD-CE1 4.42Å; I87-F91 WeakPolarHBondContact O-CB 3.41Å; I87-F91 PolarHBondContact O-N 2.78Å; F91-Q93 VanDerWaalsContact C-N 3.33Å; F91-Q93 PolarHBondContact O-N 2.96Å; F91-E94 PolarHBondContact O-N 2.93Å; F91-S95 PolarHBondContact O-N 3.44Å; F91-S95 PolarHBondContact O-OG 3.06Å; F91-S95 VanDerWaalsContact O-OG 3.08Å
92K81.2Confident71.8Confident102 Ų10292.4 Ų92.444%0.44351%0.505SS..Hα-helixtrans-63.6-37.7175.9-75.5178.3178.7-176.40112.2I88 D89 M90 S95 S96I88-K92 HydrophobicContact CG2-CD 4.06Å; I88-K92 WeakPolarHBondContact O-CB 3.29Å; I88-K92 VanDerWaalsContact O-CG 3.28Å; I88-K92 WeakPolarHBondContact O-CG 3.34Å; I88-K92 PolarHBondContact O-N 2.95Å; D89-K92 PolarHBondContact O-N 2.89Å; M90-K92 PolarHBondContact O-N 2.86Å; K92-S95 WeakPolarHBondContact CA-OG 3.43Å; K92-S95 PolarHBondContact O-OG 2.82Å; K92-S96 WeakPolarHBondContact O-CB 3.47Å; K92-S96 PolarHBondContact O-N 3.09Å; K92-S96 VanDerWaalsContact O-N 3.09Å; K92-S96 PolarHBondContact O-OG 3.49Å
93Q77.3Confident69.4Low135 Ų13596.6 Ų96.663%0.63152%0.522SS*.Hα-helixtrans-67.6-40.1176.4-73.7173.720.300112.8D89 M90 F91 S96 S97D89-Q93 VanDerWaalsContact O-CG 3.3Å; D89-Q93 WeakPolarHBondContact O-CG 3.42Å; D89-Q93 PolarHBondContact O-N 3.44Å; M90-Q93 PolarHBondContact O-N 3.3Å; F91-Q93 VanDerWaalsContact C-N 3.33Å; F91-Q93 PolarHBondContact O-N 2.96Å; Q93-S96 PolarHBondContact O-N 2.88Å; Q93-S97 WeakPolarHBondContact O-CB 3.46Å; Q93-S97 PolarHBondContact O-N 2.93Å; Q93-S97 VanDerWaalsContact O-N 3.11Å; Q93-S97 PolarHBondContact O-OG 3.33Å
94E69.8Low67.2Low116 Ų116100 Ų10054%0.54254%0.535SS..Hα-helixtrans-67.2-42.3177.9-162.7169.7-168.500111.6M90 F91 S96 S97M90-E94 PolarHBondContact O-N 3.39Å; F91-E94 PolarHBondContact O-N 2.93Å; E94-S96 VanDerWaalsContact C-N 3.29Å; E94-S96 PolarHBondContact O-N 3.32Å; E94-S97 WeakPolarHBondContact CA-OG 3.28Å; E94-S97 PolarHBondContact O-N 2.95Å; E94-S97 PolarHBondContact O-OG 3.11Å
95S64.9Low65.1Low75 Ų75110.6 Ų110.652%0.52457%0.573SS.*Hα-helixtrans-66.2-26.8173.460.20000114F91 K92F91-S95 PolarHBondContact O-N 3.44Å; F91-S95 PolarHBondContact O-OG 3.06Å; F91-S95 VanDerWaalsContact O-OG 3.08Å; K92-S95 WeakPolarHBondContact CA-OG 3.43Å; K92-S95 PolarHBondContact O-OG 2.82Å
96S61.2Low62.8Low81 Ų81119.3 Ų119.357%0.56661%0.611SS**Hα-helixtrans-88.3-13.2179.8-55.40000113.8K92 Q93 E94 S99K92-S96 WeakPolarHBondContact O-CB 3.47Å; K92-S96 PolarHBondContact O-N 3.09Å; K92-S96 VanDerWaalsContact O-N 3.09Å; K92-S96 PolarHBondContact O-OG 3.49Å; Q93-S96 PolarHBondContact O-N 2.88Å; E94-S96 VanDerWaalsContact C-N 3.29Å; E94-S96 PolarHBondContact O-N 3.32Å; S96-S99 PolarHBondContact O-OG 3.37Å
97S54.3Low60.9Low90 Ų90123.7 Ų123.763%0.62963%0.628SS**SBendtrans-96.4-1.8-177.740.20000114.1Q93 E94 S99Q93-S97 WeakPolarHBondContact O-CB 3.46Å; Q93-S97 PolarHBondContact O-N 2.93Å; Q93-S97 VanDerWaalsContact O-N 3.11Å; Q93-S97 PolarHBondContact O-OG 3.33Å; E94-S97 WeakPolarHBondContact CA-OG 3.28Å; E94-S97 PolarHBondContact O-N 2.95Å; E94-S97 PolarHBondContact O-OG 3.11Å; S97-S99 VanDerWaalsContact C-N 3.26Å; S97-S99 PolarHBondContact O-N 3.25Å
98S49.5Very low59.6Low114 Ų114129.5 Ų129.580%0.79765%0.654SS**SBendtrans-77.53.1171-86.50000115.2
99S43.5Very low58.7Low102 Ų102133 Ų13371%0.71368%0.676SS**  trans-104.978.7176.355.20000112.3S96 S97S96-S99 PolarHBondContact O-OG 3.37Å; S97-S99 VanDerWaalsContact C-N 3.26Å; S97-S99 PolarHBondContact O-N 3.25Å
100R37.3Very low58.4Low237 Ų237134.2 Ų134.289%0.89469%0.687SS**  trans-120.4146156.1-99.9-172.7169.8-165.9-1.7110.3
101P42.8Very low58.5Low116 Ų116131.4 Ų131.475%0.75367%0.673SS**  trans-87.3134.1-160.79.97.8000113.2
102T43.5Very low58.6Low140 Ų140130.3 Ų130.386%0.85967%0.669SS**  trans42.499.7148.454.50000118.6
103Q40.6Very low58.8Low191 Ų191133.2 Ų133.289%0.89369%0.69SS**  trans-105.8121.8154.1-134.3172.9-8.200107.9R105Q103-R105 PolarHBondContact O-N 2.98Å
104E46Very low59.1Low191 Ų191132.1 Ų132.189%0.89369%0.692SS**  trans-53.1117.7175.2-64.1171.9159.300110.1K106E104-K106 PolarHBondContact O-N 3.34Å; E104-K106 VanDerWaalsContact O-N 3.14Å
105R44.8Very low59.8Low242 Ų242128.8 Ų128.891%0.91368%0.676SS**  trans-70.9105.1168.1-76.4-179.8168.3-156.9-3.3107.7Q103 E107Q103-R105 PolarHBondContact O-N 2.98Å; R105-E107 PolarHBondContact O-N 2.85Å
106K42.3Very low60.5Low190 Ų190133 Ų13383%0.82669%0.687SS**  trans-58.2124.6157.7-87.5178.6173.91780107.4E104 E108E104-K106 PolarHBondContact O-N 3.34Å; E104-K106 VanDerWaalsContact O-N 3.14Å; K106-E108 PolarHBondContact O-N 3.36Å
107E50.7Low61.5Low185 Ų185136.6 Ų136.686%0.86470%0.701SS**  trans-63.198.4167-72.3177.2156.500108.2R105 T109R105-E107 PolarHBondContact O-N 2.85Å; E107-T109 VanDerWaalsContact C-N 3.32Å; E107-T109 PolarHBondContact O-N 3.43Å
108E59.8Low62.9Low182 Ų182135.5 Ų135.585%0.8569%0.686SS**  trans-72.389.3170.8-67.9-177173.700108K106 P110K106-E108 PolarHBondContact O-N 3.36Å; E108-P110 WeakPolarHBondContact O-CD 3.37Å
109T68.6Low64.7Low74 Ų74135.9 Ų135.945%0.45467%0.673SS.*PPolyproline II helixtrans-64.6122.8170.553.10000108.8E107 M111E107-T109 VanDerWaalsContact C-N 3.32Å; E107-T109 PolarHBondContact O-N 3.43Å; T109-M111 PolarHBondContact O-N 2.88Å
110P80.8Confident66.9Low87 Ų87132.5 Ų132.557%0.56565%0.647SS**PPolyproline II helixtrans-64.7135.7-17724.2-31.9000111.2E108 I120E108-P110 WeakPolarHBondContact O-CD 3.37Å; P110-I120 HydrophobicContact CG-CB 4.39Å; P110-I120 WeakPolarHBondContact O-CB 3.31Å; P110-I120 WeakPolarHBondContact O-CG1 3.31Å; P110-I120 PolarHBondContact O-N 2.69Å; P110-I120 VanDerWaalsContact O-N 3.08Å
111M86.4Confident69.1Low76 Ų76124.8 Ų124.837%0.37462%0.623SS.*BIsolated β-bridgetrans-91160175-57.1-60.2-73.100110.1T109 E116 D117 K119T109-M111 PolarHBondContact O-N 2.88Å; M111-E116 WeakPolarHBondContact CE-O 3.47Å; M111-D117 WeakPolarHBondContact CE-O 3.13Å; M111-K119 HydrophobicContact CE-CG 4.07Å; M111-K119 HydrophobicContact SD-CB 4.39Å; M111-K119 HydrophobicContact SD-CG 3.54Å; M111-K119 VanDerWaalsContact SD-CG 3.54Å
112C86Confident71.3Confident10 Ų10120.8 Ų120.87%0.06860%0.595CS.*PPolyproline II helixtrans-78.7130179.1-177.30000112V114 H115 E118 I120 C132 C135C112-V114 PolarHBondContact O-N 3.37Å; C112-V114 VanDerWaalsContact O-N 3.12Å; C112-H115 HydrophobicContact CB-CB 4.21Å; C112-H115 CarbonylContact O-C 3.19Å; C112-H115 PolarHBondContact O-N 2.94Å; C112-H115 VanDerWaalsContact O-N 3.16Å; C112-H115 VanDerWaalsContact O-O 3.12Å; C112-E118 PolarHBondContact N-O 3.02Å; C112-I120 HydrophobicContact CB-CD1 3.83Å; C112-C132 HydrophobicContact CB-CB 3.84Å; C112-C135 VanDerWaalsContact SG-SG 3.63Å
113D84.6Confident73.7Confident164 Ų164116.5 Ų116.588%0.87756%0.563SS**SBendtrans-61.8-21.8179.1-57.8-37.1000114.2
114V84.6Confident76.2Confident111 Ų111107.4 Ų107.467%0.67352%0.521SS*.SBendtrans-98.2-26179.3-177.50000111.8C112C112-V114 PolarHBondContact O-N 3.37Å; C112-V114 VanDerWaalsContact O-N 3.12Å
115H83.3Confident78.4Confident46 Ų46101.7 Ų101.721%0.21350%0.499CS..  trans-131.385.8-176-55.6100.8000107.7C112 D117 E118 M134 C135C112-H115 HydrophobicContact CB-CB 4.21Å; C112-H115 CarbonylContact O-C 3.19Å; C112-H115 PolarHBondContact O-N 2.94Å; C112-H115 VanDerWaalsContact O-N 3.16Å; C112-H115 VanDerWaalsContact O-O 3.12Å; H115-D117 PolarHBondContact O-N 3.26Å; H115-D117 VanDerWaalsContact O-N 3.1Å; H115-E118 HydrophobicContact CB-CB 3.83Å; H115-E118 HydrophobicContact CB-CG 4Å; H115-E118 PolarHBondContact O-N 3.43Å; H115-M134 HydrophobicContact CB-CB 4.43Å; H115-C135 PolarHBondContact CE1-SG 3.27Å; H115-C135 PolarHBondContact ND1-SG 2.93Å
116E80.1Confident80.6Confident163 Ų16394.1 Ų94.176%0.76248%0.48SS*.THydrogen-bonded Turntrans-58.5-28-168.7-62.1179.2178.400113.5M111M111-E116 WeakPolarHBondContact CE-O 3.47Å
117D81.8Confident82.9Confident158 Ų15890 Ų9085%0.84546%0.463SS*.THydrogen-bonded Turntrans-87.5-6.6178.2-65-45.1000114.1M111 H115M111-D117 WeakPolarHBondContact CE-O 3.13Å; H115-D117 PolarHBondContact O-N 3.26Å; H115-D117 VanDerWaalsContact O-N 3.1Å
118E83.3Confident84.8Confident67 Ų6783 Ų8331%0.31344%0.441SS..  trans-103.7129.9-175.3-74-72149.400112.6C112 H115 C132 M134C112-E118 PolarHBondContact N-O 3.02Å; H115-E118 HydrophobicContact CB-CB 3.83Å; H115-E118 HydrophobicContact CB-CG 4Å; H115-E118 PolarHBondContact O-N 3.43Å; E118-C132 HydrophobicContact CB-CB 3.97Å; E118-M134 HydrophobicContact CG-CB 4.23Å; E118-M134 HydrophobicContact CG-CG 3.58Å
119K88.2Confident86.3Confident121 Ų12177.3 Ų77.353%0.52642%0.419SS..BIsolated β-bridgetrans-77143.2176.4-67.9179.4-179.5-171.80111.2M111 N121 C132M111-K119 HydrophobicContact CE-CG 4.07Å; M111-K119 HydrophobicContact SD-CB 4.39Å; M111-K119 HydrophobicContact SD-CG 3.54Å; M111-K119 VanDerWaalsContact SD-CG 3.54Å; K119-N121 PolarHBondContact O-N 3.01Å; K119-C132 WeakPolarHBondContact O-CB 3.35Å
120I88.9Confident87.5Confident32 Ų3277.3 Ų77.316%0.16442%0.42CS..EExtended strand (participates in β ladder)trans-71.9114.6169.8-62.5-66.7000109.1P110 C112 P130 C132 L149P110-I120 HydrophobicContact CG-CB 4.39Å; P110-I120 WeakPolarHBondContact O-CB 3.31Å; P110-I120 WeakPolarHBondContact O-CG1 3.31Å; P110-I120 PolarHBondContact O-N 2.69Å; P110-I120 VanDerWaalsContact O-N 3.08Å; C112-I120 HydrophobicContact CB-CD1 3.83Å; I120-P130 HydrophobicContact CG2-CB 3.66Å; I120-P130 HydrophobicContact CG2-CG 4.47Å; I120-C132 HydrophobicContact CD1-CB 4.32Å; I120-L149 HydrophobicContact CG2-CD2 4.31Å
121N84.5Confident87.9Confident74 Ų7473.4 Ų73.440%0.39640%0.395SS..EExtended strand (participates in β ladder)trans-139.9-4.5-173.265.4-11.8000114.1K119 T131 S133 L149K119-N121 PolarHBondContact O-N 3.01Å; N121-T131 PolarHBondContact N-O 3.4Å; N121-S133 PolarHBondContact ND2-OG 3.43Å; N121-S133 PolarHBondContact OD1-OG 3.03Å; N121-L149 VanDerWaalsContact O-CB 3.29Å; N121-L149 WeakPolarHBondContact O-CB 3.46Å; N121-L149 PolarHBondContact O-N 2.95Å
122I88.8Confident88.2Confident33 Ų3369.8 Ų69.817%0.16938%0.377CS..EExtended strand (participates in β ladder)trans-127147.8-176.5-67.4163.9000108.6T131 V146I122-T131 HydrophobicContact CB-CG2 4.21Å; I122-T131 HydrophobicContact CG2-CG2 4.07Å; I122-T131 PolarHBondContact N-O 3.12Å; I122-T131 VanDerWaalsContact N-O 3.09Å; I122-T131 PolarHBondContact O-N 2.93Å; I122-V146 HydrophobicContact CG2-CB 3.54Å; I122-V146 HydrophobicContact CG2-CG1 3.87Å; I122-V146 HydrophobicContact CG2-CG2 4.11Å
123Y92.8Very high88.3Confident49 Ų4971 Ų7119%0.19239%0.386CS..EExtended strand (participates in β ladder)trans-109.1127.6171.2-170.4-95.4000110.2V125 G128 P130 V146 A147 L149 V152Y123-V125 HydrophobicContact CD1-CG2 4.33Å; Y123-V125 PolarHBondContact O-N 3.38Å; Y123-G128 WeakPolarHBondContact OH-CA 3.38Å; Y123-G128 PolarHBondContact OH-O 3.3Å; Y123-P130 HydrophobicContact CD2-CB 4.26Å; Y123-V146 CarbonylContact O-C 3.58Å; Y123-V146 VanDerWaalsContact O-CA 3.27Å; Y123-V146 WeakPolarHBondContact O-CA 3.43Å; Y123-A147 PolarHBondContact N-O 2.95Å; Y123-A147 PolarHBondContact O-N 3.44Å; Y123-L149 HydrophobicContact CD2-CD1 4.16Å; Y123-V152 HydrophobicContact CD1-CB 4.27Å; Y123-V152 HydrophobicContact CD1-CG1 3.7Å; Y123-V152 HydrophobicContact CD1-CG2 4.06Å; Y123-V152 HydrophobicContact CD2-CG1 4.38Å; Y123-V152 HydrophobicContact CE1-CG1 3.88Å; Y123-V152 HydrophobicContact CG-CB 4.23Å; Y123-V152 HydrophobicContact CG-CG1 3.93Å; Y123-V152 HydrophobicContact CG-CG2 4.26Å
124C93.3Very high88.6Confident0 Ų066.5 Ų66.50%036%0.36CS..EExtended strand (participates in β ladder)trans-84.6108.6173-177.90000109.7H127 G128 V129 T131 H141 C144 V146C124-H127 HydrophobicContact CB-CB 4.49Å; C124-H127 PolarHBondContact O-N 3.27Å; C124-G128 WeakPolarHBondContact O-CA 3.47Å; C124-G128 PolarHBondContact O-N 3.45Å; C124-V129 HydrophobicContact CB-CG2 4.5Å; C124-V129 WeakPolarHBondContact CB-O 3.48Å; C124-V129 PolarHBondContact N-O 3Å; C124-V129 PolarHBondContact O-N 2.96Å; C124-T131 HydrophobicContact CB-CG2 4.22Å; C124-H141 WeakPolarHBondContact CB-ND1 3.34Å; C124-H141 PolarHBondContact SG-ND1 3.36Å; C124-C144 WeakPolarHBondContact SG-CB 3.21Å; C124-V146 HydrophobicContact CB-CG1 4.37Å
125V92.4Very high88.7Confident71 Ų7161.7 Ų61.743%0.4333%0.331SS..THydrogen-bonded Turntrans-68.1-38.8-179.3-178.20000110.6Y123 H127 E145 A147Y123-V125 HydrophobicContact CD1-CG2 4.33Å; Y123-V125 PolarHBondContact O-N 3.38Å; V125-H127 VanDerWaalsContact C-N 3.29Å; V125-H127 PolarHBondContact O-N 3.09Å; V125-E145 PolarHBondContact N-O 3.12Å; V125-A147 HydrophobicContact CG2-CB 3.94Å
126T92Very high88.9Confident83 Ų8362 Ų6251%0.50933%0.332SS..THydrogen-bonded Turntrans-60.4-37.3179.6-50.20000113E145T126-E145 PolarHBondContact OG1-N 3.36Å
127H89.9Confident89.3Confident103 Ų10358 Ų5848%0.47732%0.318SS..THydrogen-bonded Turntrans-105.9-8.1-176.4-66129.2000113.9C124 V125 V129 H141 C144C124-H127 HydrophobicContact CB-CB 4.49Å; C124-H127 PolarHBondContact O-N 3.27Å; V125-H127 VanDerWaalsContact C-N 3.29Å; V125-H127 PolarHBondContact O-N 3.09Å; H127-V129 VanDerWaalsContact C-N 3.31Å; H127-V129 HydrophobicContact CB-CG2 3.87Å; H127-V129 PolarHBondContact O-N 3.41Å; H127-H141 AromaticContact CE1-ND1 3.98Å; H127-H141 AromaticContact CG-CE1 3.94Å; H127-H141 AromaticContact ND1-CE1 3.25Å; H127-H141 PolarHBondContact ND1-CE1 3.38Å; H127-H141 VanDerWaalsContact ND1-CE1 3.25Å; H127-H141 AromaticContact ND1-ND1 3.12Å; H127-H141 PolarHBondContact ND1-ND1 3.23Å; H127-H141 VanDerWaalsContact ND1-ND1 3.12Å; H127-C144 PolarHBondContact CE1-SG 3.42Å; H127-C144 PolarHBondContact ND1-SG 3.31Å; H127-C144 VanDerWaalsContact ND1-SG 3.43Å
128G91.2Very high89.4Confident40 Ų4057.9 Ų57.941%0.41231%0.311SS..THydrogen-bonded Turntrans68.226-179.800000114.4Y123 C124Y123-G128 WeakPolarHBondContact OH-CA 3.38Å; Y123-G128 PolarHBondContact OH-O 3.3Å; C124-G128 WeakPolarHBondContact O-CA 3.47Å; C124-G128 PolarHBondContact O-N 3.45Å
129V91.8Very high89.5Confident61 Ų6156 Ų5637%0.3731%0.309SS..EExtended strand (participates in β ladder)trans-130.9145-174.5-630000112.6C124 H127C124-V129 HydrophobicContact CB-CG2 4.5Å; C124-V129 WeakPolarHBondContact CB-O 3.48Å; C124-V129 PolarHBondContact N-O 3Å; C124-V129 PolarHBondContact O-N 2.96Å; H127-V129 VanDerWaalsContact C-N 3.31Å; H127-V129 HydrophobicContact CB-CG2 3.87Å; H127-V129 PolarHBondContact O-N 3.41Å
130P92Very high89.5Confident74 Ų7454.6 Ų54.648%0.48132%0.32SS..EExtended strand (participates in β ladder)trans-72.8143.7172.434.8-36.7000110.5I120 Y123 L149I120-P130 HydrophobicContact CG2-CB 3.66Å; I120-P130 HydrophobicContact CG2-CG 4.47Å; Y123-P130 HydrophobicContact CD2-CB 4.26Å; P130-L149 HydrophobicContact CB-CD1 4.07Å
131T91.1Very high89.5Confident6 Ų654.4 Ų54.44%0.03732%0.318CS..EExtended strand (participates in β ladder)trans-147.1173-172.9-161.70000111.7N121 I122 C124 C135N121-T131 PolarHBondContact N-O 3.4Å; I122-T131 HydrophobicContact CB-CG2 4.21Å; I122-T131 HydrophobicContact CG2-CG2 4.07Å; I122-T131 PolarHBondContact N-O 3.12Å; I122-T131 VanDerWaalsContact N-O 3.09Å; I122-T131 PolarHBondContact O-N 2.93Å; C124-T131 HydrophobicContact CB-CG2 4.22Å; T131-C135 WeakPolarHBondContact OG1-CB 3.25Å
132C91.3Very high89.7Confident0 Ų056.9 Ų56.90%033%0.326CS..EExtended strand (participates in β ladder)trans-107.4167.7177.575.70000112.9C112 E118 K119 I120 M134 C135 K136C112-C132 HydrophobicContact CB-CB 3.84Å; E118-C132 HydrophobicContact CB-CB 3.97Å; K119-C132 WeakPolarHBondContact O-CB 3.35Å; I120-C132 HydrophobicContact CD1-CB 4.32Å; C132-M134 VanDerWaalsContact C-N 3.31Å; C132-M134 PolarHBondContact O-N 3.12Å; C132-C135 WeakPolarHBondContact O-CB 3.41Å; C132-C135 PolarHBondContact O-N 2.84Å; C132-C135 PolarHBondContact SG-N 3.35Å; C132-C135 VanDerWaalsContact SG-SG 3.66Å; C132-K136 PolarHBondContact O-N 3.5Å
133S89.6Confident89.8Confident36 Ų3662.6 Ų62.625%0.25236%0.356SS..Hα-helixtrans-57.3-41.2179.7-44.30000112.8N121 K136 V137N121-S133 PolarHBondContact ND2-OG 3.43Å; N121-S133 PolarHBondContact OD1-OG 3.03Å; S133-K136 PolarHBondContact O-N 3.4Å; S133-V137 WeakPolarHBondContact O-CG2 3.12Å; S133-V137 PolarHBondContact O-N 2.86Å
134M88.9Confident89.8Confident68 Ų6861 Ų6134%0.33535%0.352SS..Hα-helixtrans-67.9-39.2-179.2-69.6-62.4-7700112.3H115 E118 C132 K136 V137 F138 G139H115-M134 HydrophobicContact CB-CB 4.43Å; E118-M134 HydrophobicContact CG-CB 4.23Å; E118-M134 HydrophobicContact CG-CG 3.58Å; C132-M134 VanDerWaalsContact C-N 3.31Å; C132-M134 PolarHBondContact O-N 3.12Å; M134-K136 PolarHBondContact O-N 3.45Å; M134-V137 PolarHBondContact O-N 3.35Å; M134-F138 HydrophobicContact CE-CD2 3.99Å; M134-F138 HydrophobicContact CE-CE2 4.46Å; M134-F138 PolarHBondContact O-N 3.5Å; M134-F138 HydrophobicContact SD-CD2 4.07Å; M134-F138 HydrophobicContact SD-CE2 4.32Å; M134-G139 PolarHBondContact O-N 3.12Å; M134-G139 VanDerWaalsContact O-N 3.12Å
135C88Confident89.7Confident10 Ų1067.7 Ų67.77%0.06838%0.384CS..Hα-helixtrans-60.3-33.1172.4-78.70000112.8C112 H115 T131 C132 G139 H141C112-C135 VanDerWaalsContact SG-SG 3.63Å; H115-C135 PolarHBondContact CE1-SG 3.27Å; H115-C135 PolarHBondContact ND1-SG 2.93Å; T131-C135 WeakPolarHBondContact OG1-CB 3.25Å; C132-C135 WeakPolarHBondContact O-CB 3.41Å; C132-C135 PolarHBondContact O-N 2.84Å; C132-C135 PolarHBondContact SG-N 3.35Å; C132-C135 VanDerWaalsContact SG-SG 3.66Å; C135-G139 CarbonylContact O-C 3.19Å; C135-G139 VanDerWaalsContact O-CA 3.28Å; C135-G139 WeakPolarHBondContact O-CA 3.33Å; C135-G139 PolarHBondContact O-N 3.01Å; C135-H141 PolarHBondContact O-N 2.75Å; C135-H141 VanDerWaalsContact O-N 3.07Å
136K88Confident89.7Confident52 Ų5266.7 Ų66.723%0.22638%0.377CS..Hα-helixtrans-79.4-40.1176.617454.9-176.4167.40113.1C132 S133 M134 H141 K142 C144 V146C132-K136 PolarHBondContact O-N 3.5Å; S133-K136 PolarHBondContact O-N 3.4Å; M134-K136 PolarHBondContact O-N 3.45Å; K136-H141 VanDerWaalsContact CD-O 3.28Å; K136-H141 WeakPolarHBondContact CD-O 3.43Å; K136-K142 PolarHBondContact NZ-O 2.87Å; K136-K142 VanDerWaalsContact O-CA 3.24Å; K136-K142 WeakPolarHBondContact O-CA 3.31Å; K136-C144 PolarHBondContact NZ-O 3.16Å; K136-V146 HydrophobicContact CD-CB 4.48Å; K136-V146 HydrophobicContact CD-CG1 3.67Å; K136-V146 HydrophobicContact CD-CG2 3.94Å; K136-V146 HydrophobicContact CG-CG1 4.26Å; K136-V146 HydrophobicContact CG-CG2 4.17Å
137V86.7Confident89.6Confident79 Ų7963.9 Ų63.948%0.47936%0.363SS..Hα-helixtrans-83.2-39.8-174-177.30000111.9S133 M134S133-V137 WeakPolarHBondContact O-CG2 3.12Å; S133-V137 PolarHBondContact O-N 2.86Å; M134-V137 PolarHBondContact O-N 3.35Å
138F84.3Confident89.7Confident157 Ų15763.1 Ų63.169%0.68937%0.367SS*.THydrogen-bonded Turntrans-126.8-12.9-172-56.1-71.8000114.2M134M134-F138 HydrophobicContact CE-CD2 3.99Å; M134-F138 HydrophobicContact CE-CE2 4.46Å; M134-F138 PolarHBondContact O-N 3.5Å; M134-F138 HydrophobicContact SD-CD2 4.07Å; M134-F138 HydrophobicContact SD-CE2 4.32Å
139G86.4Confident89.6Confident27 Ų2763.8 Ų63.828%0.27836%0.36SS..SBendtrans-97.9-158.4-174.700000114.9M134 C135 H141 K142M134-G139 PolarHBondContact O-N 3.12Å; M134-G139 VanDerWaalsContact O-N 3.12Å; C135-G139 CarbonylContact O-C 3.19Å; C135-G139 VanDerWaalsContact O-CA 3.28Å; C135-G139 WeakPolarHBondContact O-CA 3.33Å; C135-G139 PolarHBondContact O-N 3.01Å; G139-H141 PolarHBondContact O-N 2.63Å; G139-H141 VanDerWaalsContact O-N 3.1Å; G139-K142 PolarHBondContact O-N 3.11Å
140A87.3Confident89.4Confident91 Ų9162.9 Ų62.975%0.75236%0.364SS*.THydrogen-bonded Turntrans-64.4-15.2-173.200000114.8
141H88.9Confident89.3Confident28 Ų2862.7 Ų62.713%0.1336%0.361CS..THydrogen-bonded Turntrans-102.816.5-177.7-63.3-96.5000113.2C124 H127 C135 K136 G139 D143 C144C124-H141 WeakPolarHBondContact CB-ND1 3.34Å; C124-H141 PolarHBondContact SG-ND1 3.36Å; H127-H141 AromaticContact CE1-ND1 3.98Å; H127-H141 AromaticContact CG-CE1 3.94Å; H127-H141 AromaticContact ND1-CE1 3.25Å; H127-H141 PolarHBondContact ND1-CE1 3.38Å; H127-H141 VanDerWaalsContact ND1-CE1 3.25Å; H127-H141 AromaticContact ND1-ND1 3.12Å; H127-H141 PolarHBondContact ND1-ND1 3.23Å; H127-H141 VanDerWaalsContact ND1-ND1 3.12Å; C135-H141 PolarHBondContact O-N 2.75Å; C135-H141 VanDerWaalsContact O-N 3.07Å; K136-H141 VanDerWaalsContact CD-O 3.28Å; K136-H141 WeakPolarHBondContact CD-O 3.43Å; G139-H141 PolarHBondContact O-N 2.63Å; G139-H141 VanDerWaalsContact O-N 3.1Å; H141-D143 PolarHBondContact O-N 2.83Å; H141-C144 HydrophobicContact CB-CB 4.25Å; H141-C144 WeakPolarHBondContact O-CB 3.39Å; H141-C144 PolarHBondContact O-N 3.35Å; H141-C144 VanDerWaalsContact O-N 3.12Å
142K89.4Confident89.4Confident127 Ų12763.5 Ų63.555%0.55237%0.366SS*.THydrogen-bonded Turntrans-50.3-50.7-176.3-172.8-179.1174.5-172.30113.9K136 G139K136-K142 PolarHBondContact NZ-O 2.87Å; K136-K142 VanDerWaalsContact O-CA 3.24Å; K136-K142 WeakPolarHBondContact O-CA 3.31Å; G139-K142 PolarHBondContact O-N 3.11Å
143D90.8Very high89.4Confident153 Ų15369.7 Ų69.782%0.81839%0.39SS*.THydrogen-bonded Turntrans-96.19.7-176.2-54.5-51.2000113H141H141-D143 PolarHBondContact O-N 2.83Å
144C92.3Very high89.6Confident15 Ų1574.4 Ų74.410%0.10141%0.409CS..SBendtrans-87.3149.5-178.6-61.60000112.8C124 H127 K136 H141C124-C144 WeakPolarHBondContact SG-CB 3.21Å; H127-C144 PolarHBondContact CE1-SG 3.42Å; H127-C144 PolarHBondContact ND1-SG 3.31Å; H127-C144 VanDerWaalsContact ND1-SG 3.43Å; K136-C144 PolarHBondContact NZ-O 3.16Å; H141-C144 HydrophobicContact CB-CB 4.25Å; H141-C144 WeakPolarHBondContact O-CB 3.39Å; H141-C144 PolarHBondContact O-N 3.35Å; H141-C144 VanDerWaalsContact O-N 3.12Å
145E91.4Very high89.8Confident141 Ų14174.8 Ų74.866%0.65942%0.415SS*.  trans-71.8133.5168.2-169.2172.9-172.400109.9V125 T126V125-E145 PolarHBondContact N-O 3.12Å; T126-E145 PolarHBondContact OG1-N 3.36Å
146V92.1Very high90Very high49 Ų4979.4 Ų79.430%0.29743%0.434SS..EExtended strand (participates in β ladder)trans-132.5149.3-178.1-64.80000110.9I122 Y123 C124 K136I122-V146 HydrophobicContact CG2-CB 3.54Å; I122-V146 HydrophobicContact CG2-CG1 3.87Å; I122-V146 HydrophobicContact CG2-CG2 4.11Å; Y123-V146 CarbonylContact O-C 3.58Å; Y123-V146 VanDerWaalsContact O-CA 3.27Å; Y123-V146 WeakPolarHBondContact O-CA 3.43Å; C124-V146 HydrophobicContact CB-CG1 4.37Å; K136-V146 HydrophobicContact CD-CB 4.48Å; K136-V146 HydrophobicContact CD-CG1 3.67Å; K136-V146 HydrophobicContact CD-CG2 3.94Å; K136-V146 HydrophobicContact CG-CG1 4.26Å; K136-V146 HydrophobicContact CG-CG2 4.17Å
147A91.1Very high90.3Very high25 Ų2584.3 Ų84.321%0.20745%0.451CS..EExtended strand (participates in β ladder)trans-131.5156176.400000110.7Y123 V125 L149 V152Y123-A147 PolarHBondContact N-O 2.95Å; Y123-A147 PolarHBondContact O-N 3.44Å; V125-A147 HydrophobicContact CG2-CB 3.94Å; A147-L149 PolarHBondContact O-N 2.9Å; A147-V152 HydrophobicContact CB-CG2 3.64Å
148P90.6Very high90.8Very high86 Ų8683.5 Ų83.556%0.55845%0.449SS*.EExtended strand (participates in β ladder)trans-58.4129.8174.1-21.932.8000111G150 T151 V152P148-G150 VanDerWaalsContact C-N 3.26Å; P148-G150 PolarHBondContact O-N 3.23Å; P148-T151 HydrophobicContact CB-CG2 4.21Å; P148-T151 HydrophobicContact CG-CG2 4.49Å; P148-T151 PolarHBondContact O-N 2.89Å; P148-T151 VanDerWaalsContact O-N 3.09Å; P148-T151 PolarHBondContact O-OG1 2.91Å; P148-V152 PolarHBondContact O-N 3.3Å
149L89.6Confident91.4Very high54 Ų5480.8 Ų80.828%0.28344%0.438SS..Hα-helixtrans-56.5-39.2-173.6-175.565000112.8I120 N121 Y123 P130 A147 T151 V152 Y153I120-L149 HydrophobicContact CG2-CD2 4.31Å; N121-L149 VanDerWaalsContact O-CB 3.29Å; N121-L149 WeakPolarHBondContact O-CB 3.46Å; N121-L149 PolarHBondContact O-N 2.95Å; Y123-L149 HydrophobicContact CD2-CD1 4.16Å; P130-L149 HydrophobicContact CB-CD1 4.07Å; A147-L149 PolarHBondContact O-N 2.9Å; L149-T151 PolarHBondContact O-N 2.84Å; L149-V152 PolarHBondContact O-N 3.26Å; L149-Y153 WeakPolarHBondContact O-CB 3.3Å; L149-Y153 PolarHBondContact O-N 3.49Å
150G88.1Confident91.8Very high43 Ų4384.9 Ų84.944%0.44345%0.453SS..Hα-helixtrans-59.6-42.517800000113.5P148 Y153 E154P148-G150 VanDerWaalsContact C-N 3.26Å; P148-G150 PolarHBondContact O-N 3.23Å; G150-Y153 PolarHBondContact O-N 2.98Å; G150-E154 WeakPolarHBondContact O-CG 3.47Å; G150-E154 PolarHBondContact O-N 3.2Å
151T88.9Confident92.3Very high69 Ų6983.9 Ų83.942%0.42344%0.441SS..Hα-helixtrans-67.9-41.3-179.161.50000112.5P148 L149 T155P148-T151 HydrophobicContact CB-CG2 4.21Å; P148-T151 HydrophobicContact CG-CG2 4.49Å; P148-T151 PolarHBondContact O-N 2.89Å; P148-T151 VanDerWaalsContact O-N 3.09Å; P148-T151 PolarHBondContact O-OG1 2.91Å; L149-T151 PolarHBondContact O-N 2.84Å; T151-T155 WeakPolarHBondContact O-CB 3.4Å; T151-T155 PolarHBondContact O-N 3.3Å; T151-T155 VanDerWaalsContact O-N 3.1Å; T151-T155 PolarHBondContact O-OG1 3.35Å
152V93.1Very high92.7Very high23 Ų2387 Ų8714%0.13946%0.458CS..Hα-helixtrans-69.9-39.6176.2-1780000110.6Y123 A147 P148 L149 T155 K156Y123-V152 HydrophobicContact CD1-CB 4.27Å; Y123-V152 HydrophobicContact CD1-CG1 3.7Å; Y123-V152 HydrophobicContact CD1-CG2 4.06Å; Y123-V152 HydrophobicContact CD2-CG1 4.38Å; Y123-V152 HydrophobicContact CE1-CG1 3.88Å; Y123-V152 HydrophobicContact CG-CB 4.23Å; Y123-V152 HydrophobicContact CG-CG1 3.93Å; Y123-V152 HydrophobicContact CG-CG2 4.26Å; A147-V152 HydrophobicContact CB-CG2 3.64Å; P148-V152 PolarHBondContact O-N 3.3Å; L149-V152 PolarHBondContact O-N 3.26Å; V152-T155 PolarHBondContact O-N 2.98Å; V152-K156 HydrophobicContact CG1-CG 4.13Å; V152-K156 WeakPolarHBondContact O-CB 3.32Å; V152-K156 WeakPolarHBondContact O-CG 3.41Å; V152-K156 PolarHBondContact O-N 3.5Å
153Y91.9Very high93.1Very high130 Ų13082.6 Ų82.651%0.5145%0.449SS..Hα-helixtrans-58.4-51.2175169.2-96.1000111.6L149 G150 T155 K156 R157L149-Y153 WeakPolarHBondContact O-CB 3.3Å; L149-Y153 PolarHBondContact O-N 3.49Å; G150-Y153 PolarHBondContact O-N 2.98Å; Y153-T155 VanDerWaalsContact C-N 3.32Å; Y153-T155 PolarHBondContact O-N 2.86Å; Y153-K156 PolarHBondContact O-N 2.96Å; Y153-R157 WeakPolarHBondContact O-CB 3.36Å; Y153-R157 PolarHBondContact O-N 3.11Å; Y153-R157 PolarHBondContact OH-NH1 3.5Å
154E93.8Very high93.4Very high136 Ų13679.8 Ų79.864%0.63643%0.433SS*.Hα-helixtrans-61-42.6179.1-74.7176.3175.700111.6G150 R157 S158G150-E154 WeakPolarHBondContact O-CG 3.47Å; G150-E154 PolarHBondContact O-N 3.2Å; E154-R157 PolarHBondContact O-N 2.95Å; E154-S158 WeakPolarHBondContact O-CB 3.45Å; E154-S158 PolarHBondContact O-N 3.49Å
155T93.3Very high93.7Very high75 Ų7582 Ų8246%0.4645%0.453SS..Hα-helixtrans-61.8-52.3177.1-54.80000111.4T151 V152 Y153 R157 S158 E159T151-T155 WeakPolarHBondContact O-CB 3.4Å; T151-T155 PolarHBondContact O-N 3.3Å; T151-T155 VanDerWaalsContact O-N 3.1Å; T151-T155 PolarHBondContact O-OG1 3.35Å; V152-T155 PolarHBondContact O-N 2.98Å; Y153-T155 VanDerWaalsContact C-N 3.32Å; Y153-T155 PolarHBondContact O-N 2.86Å; T155-R157 VanDerWaalsContact C-N 3.32Å; T155-R157 PolarHBondContact O-N 3.38Å; T155-S158 PolarHBondContact O-N 3.34Å; T155-E159 WeakPolarHBondContact O-CG 3.41Å; T155-E159 PolarHBondContact O-N 2.94Å
156K92.1Very high94Very high108 Ų10882.4 Ų82.447%0.4746%0.456SS..Hα-helixtrans-66.3-33.9-179.8-69.6-70.8160.4-152.60112.5V152 Y153 E159 L160V152-K156 HydrophobicContact CG1-CG 4.13Å; V152-K156 WeakPolarHBondContact O-CB 3.32Å; V152-K156 WeakPolarHBondContact O-CG 3.41Å; V152-K156 PolarHBondContact O-N 3.5Å; Y153-K156 PolarHBondContact O-N 2.96Å; K156-E159 WeakPolarHBondContact CD-OE2 3.48Å; K156-E159 IonicContact NZ-OE1 3.79Å; K156-E159 IonicContact NZ-OE2 3.63Å; K156-E159 PolarHBondContact NZ-OE2 2.76Å; K156-L160 VanDerWaalsContact O-CB 3.26Å; K156-L160 WeakPolarHBondContact O-CB 3.27Å; K156-L160 PolarHBondContact O-N 3.22Å
157R95.1Very high94.2Very high155 Ų15585 Ų8559%0.58547%0.466SS*.Hα-helixtrans-65.2-42.4172.9179.6177.2173.9167.6-6.2111.3Y153 E154 T155 S161Y153-R157 WeakPolarHBondContact O-CB 3.36Å; Y153-R157 PolarHBondContact O-N 3.11Å; Y153-R157 PolarHBondContact OH-NH1 3.5Å; E154-R157 PolarHBondContact O-N 2.95Å; T155-R157 VanDerWaalsContact C-N 3.32Å; T155-R157 PolarHBondContact O-N 3.38Å; R157-S161 VanDerWaalsContact O-CB 3.27Å; R157-S161 WeakPolarHBondContact O-CB 3.1Å; R157-S161 PolarHBondContact O-N 3.42Å
158S96.2Very high94.6Very high62 Ų6287.4 Ų87.443%0.43448%0.478SS..Hα-helixtrans-64.3-50.7175.1-164.80000111E154 T155 L160 S161 D162E154-S158 WeakPolarHBondContact O-CB 3.45Å; E154-S158 PolarHBondContact O-N 3.49Å; T155-S158 PolarHBondContact O-N 3.34Å; S158-L160 VanDerWaalsContact C-N 3.28Å; S158-L160 PolarHBondContact O-N 3.16Å; S158-S161 WeakPolarHBondContact O-CA 3.45Å; S158-S161 WeakPolarHBondContact O-CB 3.36Å; S158-S161 PolarHBondContact O-N 2.98Å; S158-D162 VanDerWaalsContact O-CG 3.24Å; S158-D162 PolarHBondContact O-N 3.03Å
159E96.4Very high94.9Very high99 Ų9985.2 Ų85.246%0.46347%0.471SS..Hα-helixtrans-55.3-43.8177.5-73.7175.2-171.300111.9T155 K156 G163T155-E159 WeakPolarHBondContact O-CG 3.41Å; T155-E159 PolarHBondContact O-N 2.94Å; K156-E159 WeakPolarHBondContact CD-OE2 3.48Å; K156-E159 IonicContact NZ-OE1 3.79Å; K156-E159 IonicContact NZ-OE2 3.63Å; K156-E159 PolarHBondContact NZ-OE2 2.76Å; E159-G163 PolarHBondContact O-N 3.43Å
160L96.4Very high95.3Very high114 Ų11486 Ų8660%0.59748%0.475SS*.Hα-helixtrans-65.9-43.4176.5179.560.7000111.6K156 S158 D162 G163 I164K156-L160 VanDerWaalsContact O-CB 3.26Å; K156-L160 WeakPolarHBondContact O-CB 3.27Å; K156-L160 PolarHBondContact O-N 3.22Å; S158-L160 VanDerWaalsContact C-N 3.28Å; S158-L160 PolarHBondContact O-N 3.16Å; L160-D162 VanDerWaalsContact C-N 3.34Å; L160-D162 PolarHBondContact O-N 3.43Å; L160-G163 PolarHBondContact O-N 2.99Å; L160-I164 HydrophobicContact CD1-CD1 4.04Å; L160-I164 HydrophobicContact CD1-CG1 4.26Å; L160-I164 HydrophobicContact CG-CD1 3.89Å; L160-I164 WeakPolarHBondContact O-CB 3.42Å; L160-I164 VanDerWaalsContact O-CG1 3.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.32Å; L160-I164 PolarHBondContact O-N 3.26Å
161S97.2Very high95.7Very high70 Ų7088.2 Ų88.249%0.4948%0.477SS..Hα-helixtrans-60.8-43.7177.2-172.80000111.5R157 S158 I164 A165R157-S161 VanDerWaalsContact O-CB 3.27Å; R157-S161 WeakPolarHBondContact O-CB 3.1Å; R157-S161 PolarHBondContact O-N 3.42Å; S158-S161 WeakPolarHBondContact O-CA 3.45Å; S158-S161 WeakPolarHBondContact O-CB 3.36Å; S158-S161 PolarHBondContact O-N 2.98Å; S161-I164 PolarHBondContact O-N 2.73Å; S161-A165 WeakPolarHBondContact O-CB 3.49Å; S161-A165 PolarHBondContact O-N 3.21Å
162D97.6Very high96.2Very high92 Ų9290.1 Ų90.149%0.49249%0.485SS..Hα-helixtrans-66.2-43.5178.3-64.9-25.9000111S158 L160 I164 A165 M166S158-D162 VanDerWaalsContact O-CG 3.24Å; S158-D162 PolarHBondContact O-N 3.03Å; L160-D162 VanDerWaalsContact C-N 3.34Å; L160-D162 PolarHBondContact O-N 3.43Å; D162-I164 PolarHBondContact O-N 3.49Å; D162-A165 PolarHBondContact O-N 3.43Å; D162-M166 WeakPolarHBondContact O-CG 3.46Å; D162-M166 PolarHBondContact O-N 3.23Å
163G97.8Very high96.4Very high35 Ų3597.7 Ų97.736%0.36151%0.511SS..Hα-helixtrans-60.5-42.4174.200000112.7E159 L160 M166 M167E159-G163 PolarHBondContact O-N 3.43Å; L160-G163 PolarHBondContact O-N 2.99Å; G163-M166 PolarHBondContact O-N 3.44Å; G163-M167 WeakPolarHBondContact O-CG 3.37Å; G163-M167 PolarHBondContact O-N 3.31Å
164I97.6Very high96.7Very high95 Ų9595.2 Ų95.249%0.48751%0.505SS..Hα-helixtrans-62.9-46.4174.3-70.2165.8000110.3L160 S161 D162 M166 M167 V168L160-I164 HydrophobicContact CD1-CD1 4.04Å; L160-I164 HydrophobicContact CD1-CG1 4.26Å; L160-I164 HydrophobicContact CG-CD1 3.89Å; L160-I164 WeakPolarHBondContact O-CB 3.42Å; L160-I164 VanDerWaalsContact O-CG1 3.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.32Å; L160-I164 PolarHBondContact O-N 3.26Å; S161-I164 PolarHBondContact O-N 2.73Å; D162-I164 PolarHBondContact O-N 3.49Å; I164-M166 VanDerWaalsContact C-N 3.34Å; I164-M166 PolarHBondContact O-N 3.46Å; I164-M167 PolarHBondContact O-N 3.09Å; I164-M167 VanDerWaalsContact O-N 3.14Å; I164-V168 HydrophobicContact CG2-CG2 4.32Å; I164-V168 WeakPolarHBondContact O-CG2 3.49Å; I164-V168 PolarHBondContact O-N 3.48Å
165A97.5Very high96.9Very high62 Ų6294.2 Ų94.251%0.51250%0.501SS..Hα-helixtrans-60.2-42.5179.600000112.2S161 D162 V168 G169S161-A165 WeakPolarHBondContact O-CB 3.49Å; S161-A165 PolarHBondContact O-N 3.21Å; D162-A165 PolarHBondContact O-N 3.43Å; A165-V168 PolarHBondContact O-N 2.86Å; A165-G169 PolarHBondContact O-N 2.86Å; A165-G169 VanDerWaalsContact O-N 3.11Å
166M97.5Very high97.2Very high148 Ų14892.2 Ų92.273%0.72950%0.495SS*.Hα-helixtrans-61.2-43.8173.5-73.4-177.461.700112.3D162 G163 I164 G169 N170D162-M166 WeakPolarHBondContact O-CG 3.46Å; D162-M166 PolarHBondContact O-N 3.23Å; G163-M166 PolarHBondContact O-N 3.44Å; I164-M166 VanDerWaalsContact C-N 3.34Å; I164-M166 PolarHBondContact O-N 3.46Å; M166-G169 PolarHBondContact O-N 3.46Å; M166-N170 PolarHBondContact O-N 3.44Å
167M97.3Very high97.5Very high105 Ų10590.6 Ų90.652%0.51749%0.491SS..Hα-helixtrans-66.2-37.5179-74.6-55.8-56.600112.6G163 I164 N170 N171G163-M167 WeakPolarHBondContact O-CG 3.37Å; G163-M167 PolarHBondContact O-N 3.31Å; I164-M167 PolarHBondContact O-N 3.09Å; I164-M167 VanDerWaalsContact O-N 3.14Å; M167-N170 PolarHBondContact O-N 3.47Å; M167-N171 WeakPolarHBondContact O-CB 3.37Å; M167-N171 VanDerWaalsContact O-CG 3.25Å; M167-N171 PolarHBondContact O-N 2.78Å; M167-N171 PolarHBondContact O-ND2 3.17Å
168V97.8Very high97.6Very high75 Ų7586.7 Ų86.746%0.45548%0.481SS..Hα-helixtrans-59.9-49.6173171.40000110.2I164 A165 N170 N171 D172I164-V168 HydrophobicContact CG2-CG2 4.32Å; I164-V168 WeakPolarHBondContact O-CG2 3.49Å; I164-V168 PolarHBondContact O-N 3.48Å; A165-V168 PolarHBondContact O-N 2.86Å; V168-N170 VanDerWaalsContact C-N 3.31Å; V168-N170 PolarHBondContact O-N 3.04Å; V168-N171 WeakPolarHBondContact O-CB 3.42Å; V168-N171 PolarHBondContact O-N 2.82Å; V168-N171 VanDerWaalsContact O-N 3.14Å; V168-D172 PolarHBondContact O-N 3Å
169G97.7Very high97.8Very high39 Ų3986.8 Ų86.840%0.40248%0.481SS..Hα-helixtrans-62.1-35.217700000113.7A165 M166 D172 R173A165-G169 PolarHBondContact O-N 2.86Å; A165-G169 VanDerWaalsContact O-N 3.11Å; M166-G169 PolarHBondContact O-N 3.46Å; G169-D172 PolarHBondContact O-N 2.98Å; G169-R173 PolarHBondContact O-N 3.08Å
170N97.4Very high97.9Very high71 Ų7188.8 Ų88.838%0.3849%0.491SS..Hα-helixtrans-67.1-41.6173.9-174.551.9000112.1M166 M167 V168 D172 R173 I174M166-N170 PolarHBondContact O-N 3.44Å; M167-N170 PolarHBondContact O-N 3.47Å; V168-N170 VanDerWaalsContact C-N 3.31Å; V168-N170 PolarHBondContact O-N 3.04Å; N170-D172 VanDerWaalsContact C-N 3.35Å; N170-R173 PolarHBondContact O-N 3.1Å; N170-I174 WeakPolarHBondContact O-CG1 3.32Å; N170-I174 PolarHBondContact O-N 3.01Å
171N97.4Very high98Very high89 Ų8988.5 Ų88.548%0.47649%0.489SS..Hα-helixtrans-62.4-42.4175.2-71.7-15.9000111.3M167 V168 R173 I174 Q175M167-N171 WeakPolarHBondContact O-CB 3.37Å; M167-N171 VanDerWaalsContact O-CG 3.25Å; M167-N171 PolarHBondContact O-N 2.78Å; M167-N171 PolarHBondContact O-ND2 3.17Å; V168-N171 WeakPolarHBondContact O-CB 3.42Å; V168-N171 PolarHBondContact O-N 2.82Å; V168-N171 VanDerWaalsContact O-N 3.14Å; N171-R173 VanDerWaalsContact C-N 3.31Å; N171-R173 PolarHBondContact O-N 3.13Å; N171-I174 PolarHBondContact O-N 3.24Å; N171-Q175 WeakPolarHBondContact O-CB 3.27Å; N171-Q175 PolarHBondContact O-N 3.36Å
172D98.2Very high98Very high110 Ų11089.5 Ų89.559%0.58849%0.489SS*.Hα-helixtrans-60.4-41.5175.3-69-20.9000111.6V168 G169 N170 Q175 G176V168-D172 PolarHBondContact O-N 3Å; G169-D172 PolarHBondContact O-N 2.98Å; N170-D172 VanDerWaalsContact C-N 3.35Å; D172-Q175 PolarHBondContact O-N 3.3Å; D172-G176 PolarHBondContact O-N 3.4Å
173R98.4Very high98.1Very high181 Ų18190 Ų9068%0.68349%0.488SS*.Hα-helixtrans-63.1-45.9175.4-175.9-176.9172.691.12.1112G169 N170 N171 Q175 G176 I177G169-R173 PolarHBondContact O-N 3.08Å; N170-R173 PolarHBondContact O-N 3.1Å; N171-R173 VanDerWaalsContact C-N 3.31Å; N171-R173 PolarHBondContact O-N 3.13Å; R173-Q175 VanDerWaalsContact C-N 3.32Å; R173-G176 PolarHBondContact O-N 3.33Å; R173-I177 WeakPolarHBondContact O-CG1 3.37Å; R173-I177 PolarHBondContact O-N 2.8Å; R173-I177 VanDerWaalsContact O-N 3.07Å
174I98.3Very high98.1Very high78 Ų7890.5 Ų90.540%0.449%0.49SS..Hα-helixtrans-62.4-42.5177.6-69.8169.7000110.3N170 N171 G176 I177 I178N170-I174 WeakPolarHBondContact O-CG1 3.32Å; N170-I174 PolarHBondContact O-N 3.01Å; N171-I174 PolarHBondContact O-N 3.24Å; I174-G176 VanDerWaalsContact C-N 3.27Å; I174-G176 PolarHBondContact O-N 3.41Å; I174-I177 PolarHBondContact O-N 3.37Å; I174-I177 VanDerWaalsContact O-N 3.1Å; I174-I178 HydrophobicContact CG2-CD1 3.98Å; I174-I178 HydrophobicContact CG2-CG1 4.44Å; I174-I178 WeakPolarHBondContact O-CG1 3.31Å; I174-I178 PolarHBondContact O-N 3.47Å
175Q98.3Very high98.1Very high115 Ų11589.4 Ų89.454%0.53749%0.489SS..Hα-helixtrans-60.8-37.7176.2-169.263.92800112N171 D172 R173 I178 S179N171-Q175 WeakPolarHBondContact O-CB 3.27Å; N171-Q175 PolarHBondContact O-N 3.36Å; D172-Q175 PolarHBondContact O-N 3.3Å; R173-Q175 VanDerWaalsContact C-N 3.32Å; Q175-I178 PolarHBondContact O-N 3.35Å; Q175-S179 PolarHBondContact O-N 3.02Å; Q175-S179 PolarHBondContact O-OG 3.09Å
176G98.6Very high98.2Very high33 Ų3394.3 Ų94.334%0.3450%0.495SS..Hα-helixtrans-62.6-42.1172.300000112.9D172 R173 I174 S179 Q180D172-G176 PolarHBondContact O-N 3.4Å; R173-G176 PolarHBondContact O-N 3.33Å; I174-G176 VanDerWaalsContact C-N 3.27Å; I174-G176 PolarHBondContact O-N 3.41Å; G176-S179 PolarHBondContact O-N 3.37Å; G176-Q180 WeakPolarHBondContact O-CG 3.44Å; G176-Q180 PolarHBondContact O-N 2.89Å
177I98.5Very high98.2Very high75 Ų7591.2 Ų91.239%0.38548%0.484SS..Hα-helixtrans-65.3-44.7176.5-65.7167.7000110.9R173 I174 S179 Q180 L181R173-I177 WeakPolarHBondContact O-CG1 3.37Å; R173-I177 PolarHBondContact O-N 2.8Å; R173-I177 VanDerWaalsContact O-N 3.07Å; I174-I177 PolarHBondContact O-N 3.37Å; I174-I177 VanDerWaalsContact O-N 3.1Å; I177-S179 VanDerWaalsContact C-N 3.26Å; I177-S179 PolarHBondContact O-N 2.95Å; I177-Q180 WeakPolarHBondContact O-CB 3.35Å; I177-Q180 PolarHBondContact O-N 2.92Å; I177-Q180 VanDerWaalsContact O-N 3.14Å; I177-L181 HydrophobicContact CG2-CD1 4.14Å; I177-L181 HydrophobicContact CG2-CG 4.43Å; I177-L181 WeakPolarHBondContact O-CG 3.39Å; I177-L181 PolarHBondContact O-N 2.92Å
178I98.4Very high98.3Very high73 Ų7391.9 Ų91.937%0.37449%0.488SS..Hα-helixtrans-56.3-45.7175.7-68.3168.7000109.9I174 Q175 Q180 L181 D182I174-I178 HydrophobicContact CG2-CD1 3.98Å; I174-I178 HydrophobicContact CG2-CG1 4.44Å; I174-I178 WeakPolarHBondContact O-CG1 3.31Å; I174-I178 PolarHBondContact O-N 3.47Å; Q175-I178 PolarHBondContact O-N 3.35Å; I178-Q180 VanDerWaalsContact C-N 3.31Å; I178-Q180 PolarHBondContact O-N 3.48Å; I178-L181 PolarHBondContact O-N 3.42Å; I178-L181 VanDerWaalsContact O-N 3.17Å; I178-D182 PolarHBondContact O-N 3.03Å
179S98.6Very high98.3Very high63 Ų6394.9 Ų94.944%0.44150%0.497SS..Hα-helixtrans-62.2-37.4179.1-53.60000112.6Q175 G176 I177 E183Q175-S179 PolarHBondContact O-N 3.02Å; Q175-S179 PolarHBondContact O-OG 3.09Å; G176-S179 PolarHBondContact O-N 3.37Å; I177-S179 VanDerWaalsContact C-N 3.26Å; I177-S179 PolarHBondContact O-N 2.95Å; S179-E183 PolarHBondContact O-N 3.3Å; S179-E183 VanDerWaalsContact O-N 3.09Å
180Q98.6Very high98.3Very high142 Ų14297.6 Ų97.666%0.66450%0.499SS*.Hα-helixtrans-67.6-39.6175-72.4175.9-100112.5G176 I177 I178 E183 A184G176-Q180 WeakPolarHBondContact O-CG 3.44Å; G176-Q180 PolarHBondContact O-N 2.89Å; I177-Q180 WeakPolarHBondContact O-CB 3.35Å; I177-Q180 PolarHBondContact O-N 2.92Å; I177-Q180 VanDerWaalsContact O-N 3.14Å; I178-Q180 VanDerWaalsContact C-N 3.31Å; I178-Q180 PolarHBondContact O-N 3.48Å; Q180-E183 PolarHBondContact O-N 3.23Å; Q180-A184 WeakPolarHBondContact O-CB 3.41Å; Q180-A184 PolarHBondContact O-N 3.49Å
181L98.6Very high98.4Very high107 Ų10797.5 Ų97.556%0.5650%0.499SS*.Hα-helixtrans-66.8-41.4176.6-68.7173.8000111.4I177 I178 E183 A184 C185I177-L181 HydrophobicContact CG2-CD1 4.14Å; I177-L181 HydrophobicContact CG2-CG 4.43Å; I177-L181 WeakPolarHBondContact O-CG 3.39Å; I177-L181 PolarHBondContact O-N 2.92Å; I178-L181 PolarHBondContact O-N 3.42Å; I178-L181 VanDerWaalsContact O-N 3.17Å; L181-E183 VanDerWaalsContact C-N 3.32Å; L181-E183 PolarHBondContact O-N 3.24Å; L181-A184 PolarHBondContact O-N 3.42Å; L181-C185 PolarHBondContact O-N 3.29Å; L181-C185 PolarHBondContact O-SG 2.9Å; L181-C185 VanDerWaalsContact O-SG 3.32Å
182D98.4Very high98.4Very high92 Ų9295.7 Ų95.749%0.49249%0.494SS..Hα-helixtrans-61.1-41.7175.4-75.9-20.1000111.5I178 C185 R186I178-D182 PolarHBondContact O-N 3.03Å; D182-C185 WeakPolarHBondContact O-CB 3.47Å; D182-C185 PolarHBondContact O-N 3.31Å; D182-R186 WeakPolarHBondContact O-CG 3.42Å; D182-R186 PolarHBondContact O-N 3.5Å; D182-R186 VanDerWaalsContact O-N 3.08Å
183E98.5Very high98.4Very high101 Ų10196.8 Ų96.847%0.47249%0.489SS..Hα-helixtrans-66.6-41.7175.7-174.157.7-159.700112S179 Q180 L181 C185 R186 V187S179-E183 PolarHBondContact O-N 3.3Å; S179-E183 VanDerWaalsContact O-N 3.09Å; Q180-E183 PolarHBondContact O-N 3.23Å; L181-E183 VanDerWaalsContact C-N 3.32Å; L181-E183 PolarHBondContact O-N 3.24Å; E183-C185 VanDerWaalsContact C-N 3.31Å; E183-C185 PolarHBondContact O-N 2.96Å; E183-R186 WeakPolarHBondContact O-CB 3.49Å; E183-R186 PolarHBondContact O-N 3.45Å; E183-R186 VanDerWaalsContact O-N 3.16Å; E183-V187 WeakPolarHBondContact O-CG2 3.48Å; E183-V187 PolarHBondContact O-N 3.22Å
184A98.6Very high98.4Very high47 Ų4794.3 Ų94.339%0.38848%0.48SS..Hα-helixtrans-59.6-42.2175.300000111.8Q180 L181 V187 I188Q180-A184 WeakPolarHBondContact O-CB 3.41Å; Q180-A184 PolarHBondContact O-N 3.49Å; L181-A184 PolarHBondContact O-N 3.42Å; A184-V187 PolarHBondContact O-N 2.99Å; A184-I188 VanDerWaalsContact O-CG1 3.27Å; A184-I188 WeakPolarHBondContact O-CG1 3.42Å; A184-I188 PolarHBondContact O-N 2.95Å
185C98.4Very high98.4Very high71 Ų7194.8 Ų94.848%0.4848%0.48SS..Hα-helixtrans-58.4-47.4173.7-71.80000111.6L181 D182 E183 V187 I188 E189L181-C185 PolarHBondContact O-N 3.29Å; L181-C185 PolarHBondContact O-SG 2.9Å; L181-C185 VanDerWaalsContact O-SG 3.32Å; D182-C185 WeakPolarHBondContact O-CB 3.47Å; D182-C185 PolarHBondContact O-N 3.31Å; E183-C185 VanDerWaalsContact C-N 3.31Å; E183-C185 PolarHBondContact O-N 2.96Å; C185-V187 PolarHBondContact O-N 3.43Å; C185-I188 PolarHBondContact O-N 2.86Å; C185-E189 WeakPolarHBondContact O-CG 3.5Å; C185-E189 PolarHBondContact O-N 2.98Å
186R98.6Very high98.3Very high166 Ų16695.9 Ų95.963%0.62648%0.484SS*.Hα-helixtrans-59.9-44.4177.6-71.5173.7178.7-167.60.6112.3D182 E183 I188 E189 E190D182-R186 WeakPolarHBondContact O-CG 3.42Å; D182-R186 PolarHBondContact O-N 3.5Å; D182-R186 VanDerWaalsContact O-N 3.08Å; E183-R186 WeakPolarHBondContact O-CB 3.49Å; E183-R186 PolarHBondContact O-N 3.45Å; E183-R186 VanDerWaalsContact O-N 3.16Å; R186-I188 VanDerWaalsContact C-N 3.34Å; R186-I188 PolarHBondContact O-N 3.24Å; R186-E189 PolarHBondContact O-N 3.34Å; R186-E190 WeakPolarHBondContact O-CB 3.5Å; R186-E190 PolarHBondContact O-N 2.87Å
187V98.5Very high98.3Very high83 Ų8397.2 Ų97.250%0.50349%0.485SS..Hα-helixtrans-63.2-40.9178171.50000111.3E183 A184 C185 E190 N191E183-V187 WeakPolarHBondContact O-CG2 3.48Å; E183-V187 PolarHBondContact O-N 3.22Å; A184-V187 PolarHBondContact O-N 2.99Å; C185-V187 PolarHBondContact O-N 3.43Å; V187-E190 PolarHBondContact O-N 3.35Å; V187-N191 WeakPolarHBondContact O-CB 3.38Å; V187-N191 PolarHBondContact O-N 2.63Å
188I98.3Very high98.2Very high118 Ų11898.4 Ų98.461%0.60549%0.488SS*.Hα-helixtrans-63.7-45176.4-70.4165.7000110.8A184 C185 R186 E190 N191 S192A184-I188 VanDerWaalsContact O-CG1 3.27Å; A184-I188 WeakPolarHBondContact O-CG1 3.42Å; A184-I188 PolarHBondContact O-N 2.95Å; C185-I188 PolarHBondContact O-N 2.86Å; R186-I188 VanDerWaalsContact C-N 3.34Å; R186-I188 PolarHBondContact O-N 3.24Å; I188-E190 PolarHBondContact O-N 2.98Å; I188-N191 PolarHBondContact O-N 2.78Å; I188-S192 VanDerWaalsContact O-CB 3.31Å; I188-S192 WeakPolarHBondContact O-CB 3.41Å; I188-S192 PolarHBondContact O-N 3.48Å
189E98.2Very high98.2Very high138 Ų13897.3 Ų97.365%0.64548%0.484SS*.Hα-helixtrans-59.7-46.7177-74.3179.7172.500111.6C185 R186 S192 R193C185-E189 WeakPolarHBondContact O-CG 3.5Å; C185-E189 PolarHBondContact O-N 2.98Å; R186-E189 PolarHBondContact O-N 3.34Å; E189-S192 PolarHBondContact O-N 2.96Å; E189-R193 WeakPolarHBondContact O-CB 3.35Å; E189-R193 PolarHBondContact O-N 3.41Å
190E98.3Very high98.1Very high96 Ų9697.7 Ų97.745%0.44949%0.486SS..Hα-helixtrans-65.6-42.9179.4178.759.9-171.600112R186 V187 I188 R193 R194R186-E190 WeakPolarHBondContact O-CB 3.5Å; R186-E190 PolarHBondContact O-N 2.87Å; V187-E190 PolarHBondContact O-N 3.35Å; I188-E190 PolarHBondContact O-N 2.98Å; E190-R193 PolarHBondContact O-N 3.39Å; E190-R193 IonicContact OE1-CZ 3.33Å; E190-R193 IonicContact OE1-NE 3.29Å; E190-R193 IonicContact OE1-NH2 3.04Å; E190-R193 PolarHBondContact OE1-NH2 3.27Å; E190-R193 IonicContact OE2-CZ 3.74Å; E190-R193 VanDerWaalsContact OE2-CZ 3.29Å; E190-R193 IonicContact OE2-NE 2.78Å; E190-R193 PolarHBondContact OE2-NE 3.36Å; E190-R193 IonicContact OE2-NH2 2.76Å; E190-R193 PolarHBondContact OE2-NH2 2.95Å; E190-R194 WeakPolarHBondContact O-CB 3.43Å; E190-R194 PolarHBondContact O-N 3.32Å
191N98.2Very high98.1Very high69 Ų6996.3 Ų96.337%0.36948%0.48SS..Hα-helixtrans-63.5-44.3175.2-168.615.9000111V187 I188 R193 R194 Q195V187-N191 WeakPolarHBondContact O-CB 3.38Å; V187-N191 PolarHBondContact O-N 2.63Å; I188-N191 PolarHBondContact O-N 2.78Å; N191-R193 VanDerWaalsContact C-N 3.33Å; N191-R193 PolarHBondContact O-N 3.43Å; N191-R194 PolarHBondContact O-N 3.08Å; N191-R194 PolarHBondContact OD1-NH2 2.97Å; N191-Q195 WeakPolarHBondContact O-CG 3.49Å; N191-Q195 PolarHBondContact O-N 3.17Å; N191-Q195 PolarHBondContact OD1-NE2 2.9Å
192S98.1Very high98Very high52 Ų5298.9 Ų98.936%0.36449%0.486SS..Hα-helixtrans-58.7-45.3175.9-173.70000111.5I188 E189 R194 Q195 K196I188-S192 VanDerWaalsContact O-CB 3.31Å; I188-S192 WeakPolarHBondContact O-CB 3.41Å; I188-S192 PolarHBondContact O-N 3.48Å; E189-S192 PolarHBondContact O-N 2.96Å; S192-R194 PolarHBondContact O-N 3.16Å; S192-Q195 PolarHBondContact O-N 2.97Å; S192-K196 VanDerWaalsContact O-CG 3.32Å; S192-K196 WeakPolarHBondContact O-CG 3.38Å; S192-K196 PolarHBondContact O-N 3.36Å
193R98.3Very high97.9Very high133 Ų13398.7 Ų98.750%0.50248%0.481SS..Hα-helixtrans-58.7-47.9176.2-172-17468.576.8-5.3111E189 E190 N191 Q195 K196 T197E189-R193 WeakPolarHBondContact O-CB 3.35Å; E189-R193 PolarHBondContact O-N 3.41Å; E190-R193 PolarHBondContact O-N 3.39Å; E190-R193 IonicContact OE1-CZ 3.33Å; E190-R193 IonicContact OE1-NE 3.29Å; E190-R193 IonicContact OE1-NH2 3.04Å; E190-R193 PolarHBondContact OE1-NH2 3.27Å; E190-R193 IonicContact OE2-CZ 3.74Å; E190-R193 VanDerWaalsContact OE2-CZ 3.29Å; E190-R193 IonicContact OE2-NE 2.78Å; E190-R193 PolarHBondContact OE2-NE 3.36Å; E190-R193 IonicContact OE2-NH2 2.76Å; E190-R193 PolarHBondContact OE2-NH2 2.95Å; N191-R193 VanDerWaalsContact C-N 3.33Å; N191-R193 PolarHBondContact O-N 3.43Å; R193-Q195 PolarHBondContact O-N 3.36Å; R193-K196 PolarHBondContact O-N 3.14Å; R193-T197 PolarHBondContact O-N 3.45Å; R193-T197 PolarHBondContact O-OG1 3.34Å
194R98.3Very high97.9Very high128 Ų12898.2 Ų98.248%0.48348%0.482SS..Hα-helixtrans-60-45177.7-175.9178.863.6177.7-2.4112.3E190 N191 S192 T197 K198E190-R194 WeakPolarHBondContact O-CB 3.43Å; E190-R194 PolarHBondContact O-N 3.32Å; N191-R194 PolarHBondContact O-N 3.08Å; N191-R194 PolarHBondContact OD1-NH2 2.97Å; S192-R194 PolarHBondContact O-N 3.16Å; R194-T197 PolarHBondContact O-N 3.44Å; R194-K198 WeakPolarHBondContact O-CG 3.49Å; R194-K198 PolarHBondContact O-N 2.93Å
195Q97.4Very high97.8Very high88 Ų88102 Ų10241%0.41149%0.491SS..Hα-helixtrans-65.4-40.7178.2-63.3-54.9-21.600111.9N191 S192 R193 T197 K198 V199N191-Q195 WeakPolarHBondContact O-CG 3.49Å; N191-Q195 PolarHBondContact O-N 3.17Å; N191-Q195 PolarHBondContact OD1-NE2 2.9Å; S192-Q195 PolarHBondContact O-N 2.97Å; R193-Q195 PolarHBondContact O-N 3.36Å; Q195-T197 VanDerWaalsContact C-N 3.32Å; Q195-T197 PolarHBondContact O-N 3.07Å; Q195-K198 PolarHBondContact O-N 3.05Å; Q195-V199 WeakPolarHBondContact O-CG2 3.49Å; Q195-V199 PolarHBondContact O-N 3.1Å
196K97.5Very high97.7Very high139 Ų139101.8 Ų101.860%0.60449%0.485SS*.Hα-helixtrans-58.4-44.4173.4-72.5171.8-175.8173.30111.6S192 R193 V199 C200S192-K196 VanDerWaalsContact O-CG 3.32Å; S192-K196 WeakPolarHBondContact O-CG 3.38Å; S192-K196 PolarHBondContact O-N 3.36Å; R193-K196 PolarHBondContact O-N 3.14Å; K196-V199 PolarHBondContact O-N 2.92Å; K196-C200 PolarHBondContact O-N 3.27Å; K196-C200 PolarHBondContact O-SG 3.32Å
197T98Very high97.7Very high61 Ų61101 Ų10137%0.37448%0.483SS..Hα-helixtrans-59.9-46.3176.1-61.80000111.7R193 R194 Q195 V199 C200 E201R193-T197 PolarHBondContact O-N 3.45Å; R193-T197 PolarHBondContact O-OG1 3.34Å; R194-T197 PolarHBondContact O-N 3.44Å; Q195-T197 VanDerWaalsContact C-N 3.32Å; Q195-T197 PolarHBondContact O-N 3.07Å; T197-V199 VanDerWaalsContact C-N 3.31Å; T197-V199 PolarHBondContact O-N 3.47Å; T197-C200 WeakPolarHBondContact O-CB 3.1Å; T197-C200 PolarHBondContact O-N 3.06Å; T197-C200 VanDerWaalsContact O-N 3.13Å; T197-E201 HydrophobicContact CG2-CG 4.36Å; T197-E201 WeakPolarHBondContact CG2-OE1 3.45Å; T197-E201 WeakPolarHBondContact O-CG 3.43Å; T197-E201 PolarHBondContact O-N 3.23Å
198K97.1Very high97.6Very high100 Ų100100.7 Ų100.744%0.43549%0.485SS..Hα-helixtrans-58.8-41.2176.9-71.9-178.1175.6-170.10112.8R194 Q195 E201 K202R194-K198 WeakPolarHBondContact O-CG 3.49Å; R194-K198 PolarHBondContact O-N 2.93Å; Q195-K198 PolarHBondContact O-N 3.05Å; K198-E201 PolarHBondContact O-N 3.09Å; K198-K202 WeakPolarHBondContact O-CG 3.45Å; K198-K202 PolarHBondContact O-N 3.37Å; K198-K202 VanDerWaalsContact O-N 3.09Å
199V97.1Very high97.6Very high50 Ų5098.3 Ų98.330%0.30348%0.476SS..Hα-helixtrans-61.8-48.1175.4173.30000110.3Q195 K196 T197 E201 K202 F203 F314Q195-V199 WeakPolarHBondContact O-CG2 3.49Å; Q195-V199 PolarHBondContact O-N 3.1Å; K196-V199 PolarHBondContact O-N 2.92Å; T197-V199 VanDerWaalsContact C-N 3.31Å; T197-V199 PolarHBondContact O-N 3.47Å; V199-E201 VanDerWaalsContact C-N 3.34Å; V199-E201 PolarHBondContact O-N 2.94Å; V199-K202 PolarHBondContact O-N 3.25Å; V199-F203 HydrophobicContact CG1-CD2 3.78Å; V199-F203 HydrophobicContact CG1-CE2 3.76Å; V199-F203 WeakPolarHBondContact O-CD2 3.24Å; V199-F203 PolarHBondContact O-N 3.39Å; V199-F203 VanDerWaalsContact O-N 3.08Å; V199-F314 HydrophobicContact CG2-CE1 3.58Å; V199-F314 HydrophobicContact CG2-CZ 3.95Å
200C97.7Very high97.5Very high70 Ų7095.9 Ų95.947%0.47347%0.467SS..Hα-helixtrans-56.3-47.7176.4-65.80000111.7K196 T197 K202 F203 D204K196-C200 PolarHBondContact O-N 3.27Å; K196-C200 PolarHBondContact O-SG 3.32Å; T197-C200 WeakPolarHBondContact O-CB 3.1Å; T197-C200 PolarHBondContact O-N 3.06Å; T197-C200 VanDerWaalsContact O-N 3.13Å; C200-K202 VanDerWaalsContact C-N 3.32Å; C200-K202 PolarHBondContact O-N 2.79Å; C200-F203 CarbonylContact O-C 3.6Å; C200-F203 PolarHBondContact O-N 2.87Å; C200-F203 VanDerWaalsContact O-N 3.1Å; C200-D204 WeakPolarHBondContact O-CB 3.39Å; C200-D204 VanDerWaalsContact O-CG 3.25Å; C200-D204 PolarHBondContact O-N 3.42Å
201E97.7Very high97.5Very high114 Ų11496.3 Ų96.353%0.53347%0.469SS..Hα-helixtrans-58-41.5179-71.9168.9175.300112.5T197 K198 V199 D204 H205T197-E201 HydrophobicContact CG2-CG 4.36Å; T197-E201 WeakPolarHBondContact CG2-OE1 3.45Å; T197-E201 WeakPolarHBondContact O-CG 3.43Å; T197-E201 PolarHBondContact O-N 3.23Å; K198-E201 PolarHBondContact O-N 3.09Å; V199-E201 VanDerWaalsContact C-N 3.34Å; V199-E201 PolarHBondContact O-N 2.94Å; E201-D204 PolarHBondContact O-N 2.98Å; E201-H205 PolarHBondContact O-N 3.48Å
202K96.4Very high97.5Very high161 Ų16196.4 Ų96.470%0.747%0.467SS*.Hα-helixtrans-66.2-38.4176.8-67.1-68-175.9175.30111.9K198 V199 C200 L206K198-K202 WeakPolarHBondContact O-CG 3.45Å; K198-K202 PolarHBondContact O-N 3.37Å; K198-K202 VanDerWaalsContact O-N 3.09Å; V199-K202 PolarHBondContact O-N 3.25Å; C200-K202 VanDerWaalsContact C-N 3.32Å; C200-K202 PolarHBondContact O-N 2.79Å; K202-L206 PolarHBondContact O-N 3.02Å
203F97Very high97.5Very high88 Ų8899.4 Ų99.439%0.38647%0.473SS..Hα-helixtrans-69.8-38.8173.5-83.3-75.4000112.6V199 C200 H205 L206 Y207 L312V199-F203 HydrophobicContact CG1-CD2 3.78Å; V199-F203 HydrophobicContact CG1-CE2 3.76Å; V199-F203 WeakPolarHBondContact O-CD2 3.24Å; V199-F203 PolarHBondContact O-N 3.39Å; V199-F203 VanDerWaalsContact O-N 3.08Å; C200-F203 CarbonylContact O-C 3.6Å; C200-F203 PolarHBondContact O-N 2.87Å; C200-F203 VanDerWaalsContact O-N 3.1Å; F203-H205 VanDerWaalsContact C-N 3.25Å; F203-H205 PolarHBondContact O-N 3.37Å; F203-L206 HydrophobicContact CD1-CD1 4.33Å; F203-L206 WeakPolarHBondContact O-CB 3.33Å; F203-L206 PolarHBondContact O-N 3.12Å; F203-L206 VanDerWaalsContact O-N 3.09Å; F203-Y207 HydrophobicContact CB-CE2 4.13Å; F203-Y207 WeakPolarHBondContact O-CD2 3.36Å; F203-Y207 PolarHBondContact O-N 3.34Å; F203-L312 HydrophobicContact CE1-CD1 4.09Å; F203-L312 HydrophobicContact CZ-CD1 4.42Å
204D97.7Very high97.4Very high91 Ų9198.5 Ų98.549%0.48747%0.473SS..Hα-helixtrans-61.2-36.8175.7-70.1-23.4000111.5C200 E201 Y207 S208C200-D204 WeakPolarHBondContact O-CB 3.39Å; C200-D204 VanDerWaalsContact O-CG 3.25Å; C200-D204 PolarHBondContact O-N 3.42Å; E201-D204 PolarHBondContact O-N 2.98Å; D204-Y207 PolarHBondContact O-N 3.11Å; D204-S208 WeakPolarHBondContact O-CB 3.36Å; D204-S208 PolarHBondContact O-N 3.38Å; D204-S208 PolarHBondContact O-OG 2.94Å
205H97.3Very high97.4Very high126 Ų12697.2 Ų97.258%0.58347%0.468SS*.Hα-helixtrans-63-47171.2-173.771.3000112.1E201 F203 Y207 S208 V209E201-H205 PolarHBondContact O-N 3.48Å; F203-H205 VanDerWaalsContact C-N 3.25Å; F203-H205 PolarHBondContact O-N 3.37Å; H205-Y207 PolarHBondContact O-N 2.95Å; H205-S208 WeakPolarHBondContact O-CB 3.27Å; H205-S208 PolarHBondContact O-N 3.1Å; H205-S208 VanDerWaalsContact O-N 3.17Å; H205-V209 WeakPolarHBondContact O-CG2 3.45Å; H205-V209 PolarHBondContact O-N 3.14Å
206L96.6Very high97.5Very high67 Ų6796.3 Ų96.335%0.35146%0.464SS..Hα-helixtrans-60-42.7175.6-73.4173.3000112.3K202 F203 S208 V209 L210 L312K202-L206 PolarHBondContact O-N 3.02Å; F203-L206 HydrophobicContact CD1-CD1 4.33Å; F203-L206 WeakPolarHBondContact O-CB 3.33Å; F203-L206 PolarHBondContact O-N 3.12Å; F203-L206 VanDerWaalsContact O-N 3.09Å; L206-S208 VanDerWaalsContact C-N 3.3Å; L206-S208 PolarHBondContact O-N 3.35Å; L206-V209 PolarHBondContact O-N 3.18Å; L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 3.32Å; L206-L312 HydrophobicContact CD1-CD1 4.19Å
207Y97.6Very high97.4Very high149 Ų14993.6 Ų93.658%0.58445%0.454SS*.Hα-helixtrans-59.8-42.4174.8-70.1-52.7000111.8F203 D204 H205 V209 L210 E211F203-Y207 HydrophobicContact CB-CE2 4.13Å; F203-Y207 WeakPolarHBondContact O-CD2 3.36Å; F203-Y207 PolarHBondContact O-N 3.34Å; D204-Y207 PolarHBondContact O-N 3.11Å; H205-Y207 PolarHBondContact O-N 2.95Å; Y207-V209 PolarHBondContact O-N 3.49Å; Y207-L210 PolarHBondContact O-N 2.79Å; Y207-E211 WeakPolarHBondContact O-CB 3.44Å; Y207-E211 PolarHBondContact O-N 2.93Å
208S98.3Very high97.4Very high77 Ų7793.7 Ų93.754%0.53846%0.458SS..Hα-helixtrans-61.6-43.5178-590000111.8D204 H205 L206 E211 E212D204-S208 WeakPolarHBondContact O-CB 3.36Å; D204-S208 PolarHBondContact O-N 3.38Å; D204-S208 PolarHBondContact O-OG 2.94Å; H205-S208 WeakPolarHBondContact O-CB 3.27Å; H205-S208 PolarHBondContact O-N 3.1Å; H205-S208 VanDerWaalsContact O-N 3.17Å; L206-S208 VanDerWaalsContact C-N 3.3Å; L206-S208 PolarHBondContact O-N 3.35Å; S208-E211 PolarHBondContact O-N 3.43Å; S208-E212 VanDerWaalsContact O-CB 3.3Å; S208-E212 WeakPolarHBondContact O-CB 3.4Å; S208-E212 PolarHBondContact O-N 2.94Å
209V97.4Very high97.5Very high68 Ų6893.9 Ų93.941%0.41246%0.46SS..Hα-helixtrans-63.1-43.4175.8174.40000111.4H205 L206 Y207 E212 K213H205-V209 WeakPolarHBondContact O-CG2 3.45Å; H205-V209 PolarHBondContact O-N 3.14Å; L206-V209 PolarHBondContact O-N 3.18Å; Y207-V209 PolarHBondContact O-N 3.49Å; V209-E212 PolarHBondContact O-N 2.9Å; V209-K213 WeakPolarHBondContact O-CG 3.46Å; V209-K213 PolarHBondContact O-N 3.34Å
210L96.6Very high97.5Very high87 Ų8798.2 Ų98.246%0.45548%0.475SS..Hα-helixtrans-65.7-42.9178.6-72.2173.5000112.3L206 Y207 E212 K213 K214L206-L210 WeakPolarHBondContact O-CG 3.4Å; L206-L210 PolarHBondContact O-N 3.32Å; Y207-L210 PolarHBondContact O-N 2.79Å; L210-E212 VanDerWaalsContact C-N 3.34Å; L210-K213 PolarHBondContact O-N 3.03Å; L210-K214 WeakPolarHBondContact O-CB 3.26Å; L210-K214 PolarHBondContact O-N 2.89Å
211E98.1Very high97.5Very high105 Ų10597.2 Ų97.249%0.49147%0.466SS..Hα-helixtrans-66.5-39.6178.6-168.459.5-14800111Y207 S208 K213 K214 R215Y207-E211 WeakPolarHBondContact O-CB 3.44Å; Y207-E211 PolarHBondContact O-N 2.93Å; S208-E211 PolarHBondContact O-N 3.43Å; E211-K213 PolarHBondContact O-N 3.4Å; E211-K214 VanDerWaalsContact CD-NZ 3.34Å; E211-K214 PolarHBondContact O-N 3.48Å; E211-K214 IonicContact OE1-NZ 3.54Å; E211-K214 PolarHBondContact OE1-NZ 3.04Å; E211-K214 IonicContact OE2-NZ 3.11Å; E211-K214 PolarHBondContact OE2-NZ 3.45Å; E211-R215 WeakPolarHBondContact O-CB 3.33Å; E211-R215 PolarHBondContact O-N 3.01Å
212E98.2Very high97.5Very high71 Ų7194.7 Ų94.733%0.33246%0.459SS..Hα-helixtrans-62.2-43.1173.8175.754.3-158.200111.7S208 V209 L210 R215 Q216S208-E212 VanDerWaalsContact O-CB 3.3Å; S208-E212 WeakPolarHBondContact O-CB 3.4Å; S208-E212 PolarHBondContact O-N 2.94Å; V209-E212 PolarHBondContact O-N 2.9Å; L210-E212 VanDerWaalsContact C-N 3.34Å; E212-R215 VanDerWaalsContact CD-NH2 3.26Å; E212-R215 WeakPolarHBondContact O-CB 3.44Å; E212-R215 PolarHBondContact O-N 3.37Å; E212-R215 IonicContact OE1-CZ 3.52Å; E212-R215 IonicContact OE1-NE 3.76Å; E212-R215 IonicContact OE1-NH2 3.14Å; E212-R215 PolarHBondContact OE1-NH2 2.8Å; E212-R215 IonicContact OE2-CZ 2.69Å; E212-R215 IonicContact OE2-NE 2.63Å; E212-R215 PolarHBondContact OE2-NE 3.05Å; E212-R215 IonicContact OE2-NH2 2.78Å; E212-R215 PolarHBondContact OE2-NH2 3.48Å; E212-R215 VanDerWaalsContact OE2-NH2 3.11Å; E212-Q216 VanDerWaalsContact O-CG 3.31Å; E212-Q216 WeakPolarHBondContact O-CG 3.26Å; E212-Q216 PolarHBondContact O-N 3Å; E212-Q216 PolarHBondContact OE1-NE2 3.38Å
213K96.9Very high97.6Very high114 Ų11489.6 Ų89.650%0.49645%0.447SS..Hα-helixtrans-64-42.7175.4-74.8-66.4176.4-167.40112.5V209 L210 E211 R215 Q216 M217V209-K213 WeakPolarHBondContact O-CG 3.46Å; V209-K213 PolarHBondContact O-N 3.34Å; L210-K213 PolarHBondContact O-N 3.03Å; E211-K213 PolarHBondContact O-N 3.4Å; K213-R215 VanDerWaalsContact C-N 3.35Å; K213-R215 PolarHBondContact O-N 2.76Å; K213-Q216 PolarHBondContact O-N 2.87Å; K213-M217 VanDerWaalsContact O-CG 3.28Å; K213-M217 WeakPolarHBondContact O-CG 3.28Å; K213-M217 PolarHBondContact O-N 2.94Å
214K97.3Very high97.5Very high114 Ų11487 Ų8750%0.49644%0.436SS..Hα-helixtrans-58.8-46.5173.6172.8-178.3158.9-138.30111.1L210 E211 Q216 M217 S218L210-K214 WeakPolarHBondContact O-CB 3.26Å; L210-K214 PolarHBondContact O-N 2.89Å; E211-K214 VanDerWaalsContact CD-NZ 3.34Å; E211-K214 PolarHBondContact O-N 3.48Å; E211-K214 IonicContact OE1-NZ 3.54Å; E211-K214 PolarHBondContact OE1-NZ 3.04Å; E211-K214 IonicContact OE2-NZ 3.11Å; E211-K214 PolarHBondContact OE2-NZ 3.45Å; K214-Q216 PolarHBondContact O-N 3.16Å; K214-M217 PolarHBondContact O-N 3.47Å; K214-S218 PolarHBondContact O-N 3.03Å; K214-S218 PolarHBondContact O-OG 3.48Å; K214-S218 VanDerWaalsContact O-OG 3.11Å
215R98.4Very high97.5Very high101 Ų10187.3 Ų87.338%0.38143%0.434SS..Hα-helixtrans-57.7-49.6176.5-172.4-169.668.473.9-0.7111.3E211 E212 K213 M217 S218 Q219E211-R215 WeakPolarHBondContact O-CB 3.33Å; E211-R215 PolarHBondContact O-N 3.01Å; E212-R215 VanDerWaalsContact CD-NH2 3.26Å; E212-R215 WeakPolarHBondContact O-CB 3.44Å; E212-R215 PolarHBondContact O-N 3.37Å; E212-R215 IonicContact OE1-CZ 3.52Å; E212-R215 IonicContact OE1-NE 3.76Å; E212-R215 IonicContact OE1-NH2 3.14Å; E212-R215 PolarHBondContact OE1-NH2 2.8Å; E212-R215 IonicContact OE2-CZ 2.69Å; E212-R215 IonicContact OE2-NE 2.63Å; E212-R215 PolarHBondContact OE2-NE 3.05Å; E212-R215 IonicContact OE2-NH2 2.78Å; E212-R215 PolarHBondContact OE2-NH2 3.48Å; E212-R215 VanDerWaalsContact OE2-NH2 3.11Å; K213-R215 VanDerWaalsContact C-N 3.35Å; K213-R215 PolarHBondContact O-N 2.76Å; R215-M217 VanDerWaalsContact C-N 3.33Å; R215-M217 PolarHBondContact O-N 2.94Å; R215-S218 PolarHBondContact O-N 3.41Å; R215-Q219 WeakPolarHBondContact O-CB 3.45Å; R215-Q219 VanDerWaalsContact O-CG 3.32Å; R215-Q219 WeakPolarHBondContact O-CG 3.41Å; R215-Q219 PolarHBondContact O-N 3.41Å
216Q97.9Very high97.5Very high69 Ų6986.7 Ų86.732%0.32243%0.432SS..Hα-helixtrans-58.5-43178.3-72.3174.610.700112.3E212 K213 K214 K220E212-Q216 VanDerWaalsContact O-CG 3.31Å; E212-Q216 WeakPolarHBondContact O-CG 3.26Å; E212-Q216 PolarHBondContact O-N 3Å; E212-Q216 PolarHBondContact OE1-NE2 3.38Å; K213-Q216 PolarHBondContact O-N 2.87Å; K214-Q216 PolarHBondContact O-N 3.16Å; Q216-K220 PolarHBondContact O-N 2.91Å
217M97.2Very high97.4Very high82 Ų8290 Ų9040%0.40445%0.445SS..Hα-helixtrans-68.4-44.7179.9-68.3176.777.400111.8K213 K214 R215 Q219 K220 V221 V300K213-M217 VanDerWaalsContact O-CG 3.28Å; K213-M217 WeakPolarHBondContact O-CG 3.28Å; K213-M217 PolarHBondContact O-N 2.94Å; K214-M217 PolarHBondContact O-N 3.47Å; R215-M217 VanDerWaalsContact C-N 3.33Å; R215-M217 PolarHBondContact O-N 2.94Å; M217-Q219 VanDerWaalsContact C-N 3.3Å; M217-Q219 PolarHBondContact O-N 3.24Å; M217-K220 PolarHBondContact O-N 2.89Å; M217-V221 PolarHBondContact O-N 3.14Å; M217-V300 HydrophobicContact CE-CB 4.36Å; M217-V300 HydrophobicContact CE-CG1 3.32Å
218S97.9Very high97.3Very high64 Ų6484.6 Ų84.645%0.44843%0.425SS..Hα-helixtrans-60.4-40.7175.9-63.60000112K214 R215 K220 V221 T222K214-S218 PolarHBondContact O-N 3.03Å; K214-S218 PolarHBondContact O-OG 3.48Å; K214-S218 VanDerWaalsContact O-OG 3.11Å; R215-S218 PolarHBondContact O-N 3.41Å; S218-K220 VanDerWaalsContact C-N 3.28Å; S218-K220 PolarHBondContact O-N 3.5Å; S218-V221 WeakPolarHBondContact O-CB 3.5Å; S218-V221 PolarHBondContact O-N 2.84Å; S218-V221 VanDerWaalsContact O-N 3.12Å; S218-T222 PolarHBondContact O-N 3.06Å; S218-T222 PolarHBondContact O-OG1 3Å
219Q98.2Very high97.1Very high104 Ų10485.8 Ų85.849%0.48642%0.423SS..Hα-helixtrans-60.4-35177.9-79.3-176.7-20.700113.3R215 M217 T222 A223R215-Q219 WeakPolarHBondContact O-CB 3.45Å; R215-Q219 VanDerWaalsContact O-CG 3.32Å; R215-Q219 WeakPolarHBondContact O-CG 3.41Å; R215-Q219 PolarHBondContact O-N 3.41Å; M217-Q219 VanDerWaalsContact C-N 3.3Å; M217-Q219 PolarHBondContact O-N 3.24Å; Q219-T222 PolarHBondContact O-N 3.04Å; Q219-A223 WeakPolarHBondContact O-CB 3.23Å; Q219-A223 PolarHBondContact O-N 2.99Å
220K97.7Very high97Very high140 Ų14087.3 Ų87.361%0.60943%0.429SS*.Hα-helixtrans-64.1-42.5175.3-68.1178.3-179.6-177.20111.7Q216 M217 S218 A223 E224 Y298Q216-K220 PolarHBondContact O-N 2.91Å; M217-K220 PolarHBondContact O-N 2.89Å; S218-K220 VanDerWaalsContact C-N 3.28Å; S218-K220 PolarHBondContact O-N 3.5Å; K220-A223 PolarHBondContact O-N 3.42Å; K220-E224 PolarHBondContact O-N 3.27Å; K220-E224 VanDerWaalsContact O-N 3.12Å; K220-Y298 HydrophobicContact CB-CE1 4.29Å; K220-Y298 PolarHBondContact O-OH 3.32Å
221V97.5Very high96.9Very high49 Ų4987.5 Ų87.530%0.29742%0.424SS..Hα-helixtrans-63.5-46.8176.3-175.80000110.1M217 S218 A223 E224 Q225 M295 Y298M217-V221 PolarHBondContact O-N 3.14Å; S218-V221 WeakPolarHBondContact O-CB 3.5Å; S218-V221 PolarHBondContact O-N 2.84Å; S218-V221 VanDerWaalsContact O-N 3.12Å; V221-A223 PolarHBondContact O-N 3.44Å; V221-E224 PolarHBondContact O-N 3.33Å; V221-Q225 WeakPolarHBondContact O-CB 3.48Å; V221-Q225 PolarHBondContact O-N 3.45Å; V221-M295 HydrophobicContact CG1-CE 3.92Å; V221-M295 WeakPolarHBondContact O-CE 3.13Å; V221-Y298 HydrophobicContact CG1-CD2 4.43Å; V221-Y298 HydrophobicContact CG2-CD1 3.76Å; V221-Y298 HydrophobicContact CG2-CD2 3.97Å; V221-Y298 HydrophobicContact CG2-CE1 4.02Å; V221-Y298 HydrophobicContact CG2-CE2 4.22Å; V221-Y298 HydrophobicContact CG2-CG 3.74Å
222T97.9Very high96.7Very high61 Ų6185.2 Ų85.237%0.37442%0.415SS..Hα-helixtrans-61-42.6177.9-56.30000112S218 Q219 Q225 E226S218-T222 PolarHBondContact O-N 3.06Å; S218-T222 PolarHBondContact O-OG1 3Å; Q219-T222 PolarHBondContact O-N 3.04Å; T222-Q225 WeakPolarHBondContact O-CB 3.29Å; T222-Q225 PolarHBondContact O-N 3.07Å; T222-E226 HydrophobicContact CG2-CG 4.39Å; T222-E226 WeakPolarHBondContact O-CB 3.28Å; T222-E226 WeakPolarHBondContact O-CG 3.46Å; T222-E226 PolarHBondContact O-N 2.99Å
223A97.5Very high96.5Very high54 Ų5487.5 Ų87.545%0.44643%0.425SS..Hα-helixtrans-62.1-46.1178.500000112.3Q219 K220 V221 Q225 E226 E227Q219-A223 WeakPolarHBondContact O-CB 3.23Å; Q219-A223 PolarHBondContact O-N 2.99Å; K220-A223 PolarHBondContact O-N 3.42Å; V221-A223 PolarHBondContact O-N 3.44Å; A223-Q225 VanDerWaalsContact C-N 3.34Å; A223-Q225 PolarHBondContact O-N 2.89Å; A223-E226 PolarHBondContact O-N 3.05Å; A223-E227 WeakPolarHBondContact O-CB 3.37Å; A223-E227 PolarHBondContact O-N 3.04Å
224E96.1Very high96.3Very high35 Ų3583.7 Ų83.716%0.16442%0.419CS..Hα-helixtrans-65.1-39.2175.7-174.1-174.1142.200111.4K220 V221 E227 K228 M295 H297 Y298K220-E224 PolarHBondContact O-N 3.27Å; K220-E224 VanDerWaalsContact O-N 3.12Å; V221-E224 PolarHBondContact O-N 3.33Å; E224-E227 PolarHBondContact O-N 2.92Å; E224-K228 HydrophobicContact CG-CD 4.21Å; E224-K228 HydrophobicContact CG-CG 4.44Å; E224-K228 WeakPolarHBondContact O-CB 3.47Å; E224-K228 VanDerWaalsContact O-CG 3.32Å; E224-K228 WeakPolarHBondContact O-CG 3.44Å; E224-K228 PolarHBondContact O-N 3.46Å; E224-K228 WeakPolarHBondContact OE1-CE 3.27Å; E224-K228 IonicContact OE1-NZ 3.35Å; E224-K228 PolarHBondContact OE1-NZ 3.07Å; E224-M295 HydrophobicContact CB-CE 3.8Å; E224-M295 HydrophobicContact CG-CE 3.93Å; E224-H297 IonicContact OE1-CE1 3.51Å; E224-H297 PolarHBondContact OE1-CE1 3.25Å; E224-H297 IonicContact OE1-NE2 2.84Å; E224-H297 IonicContact OE2-CE1 2.78Å; E224-H297 PolarHBondContact OE2-CE1 3.41Å; E224-H297 IonicContact OE2-NE2 2.93Å; E224-H297 PolarHBondContact OE2-NE2 3.43Å; E224-Y298 WeakPolarHBondContact OE2-CE2 3.47Å; E224-Y298 PolarHBondContact OE2-OH 2.7Å
225Q96.8Very high96.1Very high97 Ų9778.8 Ų78.845%0.45340%0.398SS..Hα-helixtrans-60.1-47.1175.3179.6-173.8-1400111V221 T222 A223 K228 M229 M295V221-Q225 WeakPolarHBondContact O-CB 3.48Å; V221-Q225 PolarHBondContact O-N 3.45Å; T222-Q225 WeakPolarHBondContact O-CB 3.29Å; T222-Q225 PolarHBondContact O-N 3.07Å; A223-Q225 VanDerWaalsContact C-N 3.34Å; A223-Q225 PolarHBondContact O-N 2.89Å; Q225-K228 PolarHBondContact O-N 2.93Å; Q225-M229 HydrophobicContact CG-CG 4.28Å; Q225-M229 VanDerWaalsContact O-CB 3.31Å; Q225-M229 WeakPolarHBondContact O-CB 3.49Å; Q225-M229 WeakPolarHBondContact O-CG 3.43Å; Q225-M229 PolarHBondContact O-N 2.83Å; Q225-M295 HydrophobicContact CB-CE 4.2Å; Q225-M295 HydrophobicContact CB-SD 4.24Å
226E97.2Very high95.9Very high113 Ų11378.4 Ų78.453%0.52841%0.407SS..Hα-helixtrans-62.2-45.3178-76.4176.7-174.600111.5T222 A223 K228 M229 N230T222-E226 HydrophobicContact CG2-CG 4.39Å; T222-E226 WeakPolarHBondContact O-CB 3.28Å; T222-E226 WeakPolarHBondContact O-CG 3.46Å; T222-E226 PolarHBondContact O-N 2.99Å; A223-E226 PolarHBondContact O-N 3.05Å; E226-K228 PolarHBondContact O-N 2.81Å; E226-M229 PolarHBondContact O-N 3.05Å; E226-N230 VanDerWaalsContact O-CB 3.24Å; E226-N230 WeakPolarHBondContact O-CB 3.44Å; E226-N230 PolarHBondContact O-N 3.5Å; E226-N230 PolarHBondContact O-ND2 2.91Å; E226-N230 VanDerWaalsContact O-ND2 3.08Å
227E95.4Very high95.7Very high136 Ų13681.7 Ų81.764%0.63642%0.42SS*.Hα-helixtrans-57-49.6175.4-173.4-174.3164.100111.4A223 E224 M229 N230 Y231A223-E227 WeakPolarHBondContact O-CB 3.37Å; A223-E227 PolarHBondContact O-N 3.04Å; E224-E227 PolarHBondContact O-N 2.92Å; E227-M229 PolarHBondContact O-N 3.29Å; E227-N230 PolarHBondContact O-N 3.11Å; E227-Y231 PolarHBondContact O-N 3.44Å
228K94.9Very high95.5Very high36 Ų3682.7 Ų82.716%0.15742%0.422CS..Hα-helixtrans-62.6-44178.6-73.1-177.5168.5177.80112.5E224 Q225 E226 Y231 I232 Y292 K294E224-K228 HydrophobicContact CG-CD 4.21Å; E224-K228 HydrophobicContact CG-CG 4.44Å; E224-K228 WeakPolarHBondContact O-CB 3.47Å; E224-K228 VanDerWaalsContact O-CG 3.32Å; E224-K228 WeakPolarHBondContact O-CG 3.44Å; E224-K228 PolarHBondContact O-N 3.46Å; E224-K228 WeakPolarHBondContact OE1-CE 3.27Å; E224-K228 IonicContact OE1-NZ 3.35Å; E224-K228 PolarHBondContact OE1-NZ 3.07Å; Q225-K228 PolarHBondContact O-N 2.93Å; E226-K228 PolarHBondContact O-N 2.81Å; K228-Y231 PolarHBondContact O-N 3.31Å; K228-I232 WeakPolarHBondContact O-CG1 3.39Å; K228-I232 PolarHBondContact O-N 3.11Å; K228-Y292 WeakPolarHBondContact CA-OH 3.33Å; K228-Y292 HydrophobicContact CB-CE1 3.7Å; K228-Y292 HydrophobicContact CD-CE1 4.36Å; K228-Y292 WeakPolarHBondContact CD-O 3.45Å; K228-Y292 VanDerWaalsContact CE-O 3.24Å; K228-Y292 WeakPolarHBondContact CE-O 3.3Å; K228-Y292 HydrophobicContact CG-CD1 4.44Å; K228-Y292 HydrophobicContact CG-CE1 3.72Å; K228-Y292 HydrophobicContact CG-CE2 4.35Å; K228-Y292 PolarHBondContact NZ-O 2.9Å; K228-K294 PolarHBondContact NZ-O 3.07Å
229M95.1Very high95.3Very high101 Ų10184 Ų8450%0.49842%0.418SS..Hα-helixtrans-64.4-44177.9-72-72.1-9800111.1Q225 E226 E227 Y231 I232 Q233Q225-M229 HydrophobicContact CG-CG 4.28Å; Q225-M229 VanDerWaalsContact O-CB 3.31Å; Q225-M229 WeakPolarHBondContact O-CB 3.49Å; Q225-M229 WeakPolarHBondContact O-CG 3.43Å; Q225-M229 PolarHBondContact O-N 2.83Å; E226-M229 PolarHBondContact O-N 3.05Å; E227-M229 PolarHBondContact O-N 3.29Å; M229-Y231 VanDerWaalsContact C-N 3.33Å; M229-Y231 PolarHBondContact O-N 2.88Å; M229-I232 PolarHBondContact O-N 2.92Å; M229-Q233 WeakPolarHBondContact O-CB 3.33Å; M229-Q233 VanDerWaalsContact O-CG 3.25Å; M229-Q233 WeakPolarHBondContact O-CG 3.48Å; M229-Q233 PolarHBondContact O-N 3.36Å
230N94.9Very high95.1Very high101 Ų10180.7 Ų80.754%0.5441%0.412SS..Hα-helixtrans-61.6-41.3177.4-72.4-26.8000111.6E226 E227 G234E226-N230 VanDerWaalsContact O-CB 3.24Å; E226-N230 WeakPolarHBondContact O-CB 3.44Å; E226-N230 PolarHBondContact O-N 3.5Å; E226-N230 PolarHBondContact O-ND2 2.91Å; E226-N230 VanDerWaalsContact O-ND2 3.08Å; E227-N230 PolarHBondContact O-N 3.11Å; N230-G234 PolarHBondContact O-N 2.82Å
231Y93.6Very high94.9Very high90 Ų9078.1 Ų78.135%0.35341%0.405SS..Hα-helixtrans-61-50.1174.9176.6-104.8000112.1E227 K228 M229 Q233 G234 L235 Y292E227-Y231 PolarHBondContact O-N 3.44Å; K228-Y231 PolarHBondContact O-N 3.31Å; M229-Y231 VanDerWaalsContact C-N 3.33Å; M229-Y231 PolarHBondContact O-N 2.88Å; Y231-Q233 PolarHBondContact O-N 2.97Å; Y231-G234 PolarHBondContact O-N 3.37Å; Y231-L235 PolarHBondContact O-N 2.92Å; Y231-Y292 VanDerWaalsContact CB-OH 3.31Å; Y231-Y292 WeakPolarHBondContact CB-OH 3.46Å; Y231-Y292 AromaticContact CD1-CE1 3.71Å; Y231-Y292 HydrophobicContact CD1-CE1 3.71Å; Y231-Y292 HydrophobicContact CD1-CE2 4.28Å; Y231-Y292 AromaticContact CD1-CZ 3.53Å; Y231-Y292 WeakPolarHBondContact CD1-OH 3.24Å; Y231-Y292 HydrophobicContact CE1-CE1 4.45Å
232I93.4Very high94.7Very high58 Ų5877 Ų7730%0.29740%0.397SS..Hα-helixtrans-65.1-40.3-179.7-64.3-64.5000111.7K228 M229 L235 T236 V288 Y292K228-I232 WeakPolarHBondContact O-CG1 3.39Å; K228-I232 PolarHBondContact O-N 3.11Å; M229-I232 PolarHBondContact O-N 2.92Å; I232-L235 PolarHBondContact O-N 2.84Å; I232-T236 WeakPolarHBondContact O-CB 3.47Å; I232-T236 PolarHBondContact O-N 2.85Å; I232-T236 PolarHBondContact O-OG1 3.03Å; I232-V288 HydrophobicContact CD1-CB 4.33Å; I232-V288 HydrophobicContact CD1-CG1 3.75Å; I232-V288 HydrophobicContact CD1-CG2 3.53Å; I232-Y292 HydrophobicContact CD1-CD1 3.95Å; I232-Y292 HydrophobicContact CD1-CE1 4.04Å; I232-Y292 HydrophobicContact CG1-CD1 4.15Å; I232-Y292 HydrophobicContact CG1-CE1 3.92Å
233Q94.4Very high94.5Very high118 Ų11879.4 Ų79.455%0.55141%0.406SS*.Hα-helixtrans-63.4-43.6174.5-74.4177.7300111.5M229 Y231 L235 T236 K237M229-Q233 WeakPolarHBondContact O-CB 3.33Å; M229-Q233 VanDerWaalsContact O-CG 3.25Å; M229-Q233 WeakPolarHBondContact O-CG 3.48Å; M229-Q233 PolarHBondContact O-N 3.36Å; Y231-Q233 PolarHBondContact O-N 2.97Å; Q233-L235 VanDerWaalsContact C-N 3.31Å; Q233-L235 PolarHBondContact O-N 2.93Å; Q233-T236 PolarHBondContact O-N 2.96Å; Q233-K237 PolarHBondContact O-N 3.18Å
234G93.6Very high94.4Very high35 Ų3581.8 Ų81.836%0.36141%0.408SS..Hα-helixtrans-59.9-41.9174.900000112.2N230 Y231 K237 K238N230-G234 PolarHBondContact O-N 2.82Å; Y231-G234 PolarHBondContact O-N 3.37Å; G234-K237 PolarHBondContact O-N 3.47Å; G234-K238 PolarHBondContact O-N 3.33Å
235L93.4Very high94.2Very high11 Ų1186 Ų866%0.05843%0.428CS..Hα-helixtrans-67.5-44.6176.7-168.159.2000111.9Y231 I232 Q233 K237 K238 Y239 D286 V288Y231-L235 PolarHBondContact O-N 2.92Å; I232-L235 PolarHBondContact O-N 2.84Å; Q233-L235 VanDerWaalsContact C-N 3.31Å; Q233-L235 PolarHBondContact O-N 2.93Å; L235-K237 PolarHBondContact O-N 3.08Å; L235-K238 HydrophobicContact CD1-CD 4.44Å; L235-K238 PolarHBondContact O-N 3.43Å; L235-K238 VanDerWaalsContact O-N 3.11Å; L235-Y239 HydrophobicContact CD1-CD2 3.93Å; L235-Y239 HydrophobicContact CD1-CE2 3.68Å; L235-Y239 HydrophobicContact CD2-CE2 4.17Å; L235-Y239 HydrophobicContact CG-CD2 3.8Å; L235-Y239 HydrophobicContact CG-CE2 3.72Å; L235-Y239 WeakPolarHBondContact O-CD2 3.48Å; L235-Y239 PolarHBondContact O-N 3.17Å; L235-D286 HydrophobicContact CD1-CB 3.94Å; L235-D286 WeakPolarHBondContact CD1-O 3.27Å; L235-V288 HydrophobicContact CD2-CG2 3.43Å; L235-V288 VanDerWaalsContact CD2-CG2 3.43Å
236T92.9Very high94Very high92 Ų9282.5 Ų82.556%0.56441%0.414SS*.Hα-helixtrans-56-41.2175.2-57.80000111I232 Q233 Y239 G240I232-T236 WeakPolarHBondContact O-CB 3.47Å; I232-T236 PolarHBondContact O-N 2.85Å; I232-T236 PolarHBondContact O-OG1 3.03Å; Q233-T236 PolarHBondContact O-N 2.96Å; T236-Y239 PolarHBondContact O-N 3.3Å; T236-G240 PolarHBondContact O-N 3.42Å
237K95.1Very high93.9Very high139 Ų13980 Ų8060%0.60441%0.408SS*.Hα-helixtrans-63.1-48.9174.6-173.3-178.8176.9-176.50112Q233 G234 L235 Y239 G240 D241Q233-K237 PolarHBondContact O-N 3.18Å; G234-K237 PolarHBondContact O-N 3.47Å; L235-K237 PolarHBondContact O-N 3.08Å; K237-Y239 VanDerWaalsContact C-N 3.32Å; K237-Y239 PolarHBondContact O-N 2.71Å; K237-G240 WeakPolarHBondContact O-CA 3.36Å; K237-G240 PolarHBondContact O-N 2.81Å; K237-G240 VanDerWaalsContact O-N 3.09Å; K237-D241 VanDerWaalsContact O-CG 3.27Å; K237-D241 PolarHBondContact O-N 3.45Å
238K92.4Very high93.9Very high103 Ų10377.8 Ų77.845%0.44840%0.397SS..Hα-helixtrans-56.7-45177-70-178.8-175.5-1790112.1G234 L235 G240 D241 H242 L285 D286G234-K238 PolarHBondContact O-N 3.33Å; L235-K238 HydrophobicContact CD1-CD 4.44Å; L235-K238 PolarHBondContact O-N 3.43Å; L235-K238 VanDerWaalsContact O-N 3.11Å; K238-G240 VanDerWaalsContact C-N 3.35Å; K238-D241 PolarHBondContact O-N 3.47Å; K238-H242 WeakPolarHBondContact O-CB 3.42Å; K238-H242 PolarHBondContact O-N 3.19Å; K238-L285 HydrophobicContact CB-CD2 4.35Å; K238-D286 IonicContact NZ-OD2 2.63Å; K238-D286 PolarHBondContact NZ-OD2 2.7Å
239Y93Very high93.9Very high91 Ų9176.3 Ų76.336%0.35739%0.391SS..Hα-helixtrans-65.4-38.1176.1-86.5-84.4000112.2L235 T236 K237 L243 L285 D286L235-Y239 HydrophobicContact CD1-CD2 3.93Å; L235-Y239 HydrophobicContact CD1-CE2 3.68Å; L235-Y239 HydrophobicContact CD2-CE2 4.17Å; L235-Y239 HydrophobicContact CG-CD2 3.8Å; L235-Y239 HydrophobicContact CG-CE2 3.72Å; L235-Y239 WeakPolarHBondContact O-CD2 3.48Å; L235-Y239 PolarHBondContact O-N 3.17Å; T236-Y239 PolarHBondContact O-N 3.3Å; K237-Y239 VanDerWaalsContact C-N 3.32Å; K237-Y239 PolarHBondContact O-N 2.71Å; Y239-L243 WeakPolarHBondContact O-CB 3.26Å; Y239-L243 PolarHBondContact O-N 3.1Å; Y239-L285 HydrophobicContact CD1-CD1 3.49Å; Y239-L285 VanDerWaalsContact CD1-CD1 3.49Å; Y239-L285 HydrophobicContact CE1-CB 3.95Å; Y239-L285 HydrophobicContact CE1-CD1 3.35Å; Y239-L285 HydrophobicContact CE1-CG 4.26Å; Y239-L285 HydrophobicContact CE2-CB 3.98Å; Y239-L285 HydrophobicContact CE2-CD1 4.47Å; Y239-L285 HydrophobicContact CG-CD1 4.11Å; Y239-D286 PolarHBondContact OH-O 2.8Å
240G94.1Very high93.9Very high35 Ų3575.7 Ų75.736%0.36139%0.392SS..Hα-helixtrans-63.1-47.2174.400000112.8T236 K237 K238 H242 L243 E244T236-G240 PolarHBondContact O-N 3.42Å; K237-G240 WeakPolarHBondContact O-CA 3.36Å; K237-G240 PolarHBondContact O-N 2.81Å; K237-G240 VanDerWaalsContact O-N 3.09Å; K238-G240 VanDerWaalsContact C-N 3.35Å; G240-H242 PolarHBondContact O-N 3.4Å; G240-L243 PolarHBondContact O-N 3.43Å; G240-E244 PolarHBondContact O-N 2.88Å
241D93.6Very high93.9Very high85 Ų8576.2 Ų76.246%0.45539%0.392SS..Hα-helixtrans-61.9-44.6178.5-65.5-17000110.8K237 K238 E244 E245K237-D241 VanDerWaalsContact O-CG 3.27Å; K237-D241 PolarHBondContact O-N 3.45Å; K238-D241 PolarHBondContact O-N 3.47Å; D241-E244 PolarHBondContact O-N 2.96Å; D241-E245 PolarHBondContact O-N 2.87Å
242H93.1Very high93.9Very high27 Ų2776.5 Ų76.513%0.12539%0.392CS..Hα-helixtrans-61.8-44175.2179.9-84.6000111.7K238 G240 E244 E245 S246 A279 H284 L285K238-H242 WeakPolarHBondContact O-CB 3.42Å; K238-H242 PolarHBondContact O-N 3.19Å; G240-H242 PolarHBondContact O-N 3.4Å; H242-E244 VanDerWaalsContact C-N 3.34Å; H242-E244 PolarHBondContact O-N 3.19Å; H242-E245 PolarHBondContact O-N 3.41Å; H242-S246 PolarHBondContact CE1-OG 3.2Å; H242-S246 PolarHBondContact O-N 3.17Å; H242-S246 PolarHBondContact O-OG 3.09Å; H242-S246 VanDerWaalsContact O-OG 3.04Å; H242-A279 PolarHBondContact CE1-O 2.83Å; H242-A279 PolarHBondContact NE2-O 3.04Å; H242-H284 AromaticContact CD2-CE1 3.3Å; H242-H284 PolarHBondContact CD2-CE1 3.18Å; H242-H284 AromaticContact CD2-NE2 3.34Å; H242-H284 PolarHBondContact CD2-NE2 3.39Å; H242-H284 VanDerWaalsContact CD2-NE2 3.34Å; H242-H284 AromaticContact NE2-CE1 3.44Å; H242-H284 PolarHBondContact NE2-CE1 3.37Å; H242-H284 AromaticContact NE2-NE2 3.98Å; H242-L285 HydrophobicContact CB-CD1 4.31Å
243L93.8Very high93.9Very high110 Ų11074.4 Ų74.458%0.57639%0.385SS*.Hα-helixtrans-61.8-42.2177.5179.662.5000111.6Y239 G240 E245 S246 C247Y239-L243 WeakPolarHBondContact O-CB 3.26Å; Y239-L243 PolarHBondContact O-N 3.1Å; G240-L243 PolarHBondContact O-N 3.43Å; L243-E245 VanDerWaalsContact C-N 3.35Å; L243-S246 PolarHBondContact O-N 3.02Å; L243-C247 WeakPolarHBondContact O-CB 3.38Å; L243-C247 PolarHBondContact O-N 3.44Å; L243-C247 PolarHBondContact O-SG 3.39Å; L243-C247 VanDerWaalsContact O-SG 3.34Å
244E95.2Very high93.8Very high104 Ų10473.2 Ų73.249%0.48638%0.381SS..Hα-helixtrans-62.7-41.9176.6-166.9-171.1150.200111.6G240 D241 H242 C247 K248G240-E244 PolarHBondContact O-N 2.88Å; D241-E244 PolarHBondContact O-N 2.96Å; H242-E244 VanDerWaalsContact C-N 3.34Å; H242-E244 PolarHBondContact O-N 3.19Å; E244-C247 PolarHBondContact O-N 3.37Å; E244-K248 WeakPolarHBondContact O-CG 3.12Å; E244-K248 PolarHBondContact O-N 3.03Å; E244-K248 VanDerWaalsContact OE1-CE 3.29Å; E244-K248 WeakPolarHBondContact OE1-CE 3.4Å; E244-K248 IonicContact OE1-NZ 3.88Å; E244-K248 PolarHBondContact OE1-NZ 2.9Å
245E92.3Very high93.7Very high124 Ų12477.5 Ų77.558%0.57939%0.392SS*.Hα-helixtrans-64.2-44.7174.7-176.4161.1-154.200112D241 H242 L243 C247 K248 V249D241-E245 PolarHBondContact O-N 2.87Å; H242-E245 PolarHBondContact O-N 3.41Å; L243-E245 VanDerWaalsContact C-N 3.35Å; E245-C247 VanDerWaalsContact C-N 3.33Å; E245-C247 PolarHBondContact O-N 2.88Å; E245-K248 PolarHBondContact O-N 2.89Å; E245-V249 WeakPolarHBondContact O-CG2 3.48Å; E245-V249 PolarHBondContact O-N 3.17Å
246S93.6Very high93.6Very high23 Ų2378.3 Ų78.316%0.16140%0.397CS..Hα-helixtrans-58.2-43.5173.4-59.20000111.5H242 L243 K248 V249 V250 A279H242-S246 PolarHBondContact CE1-OG 3.2Å; H242-S246 PolarHBondContact O-N 3.17Å; H242-S246 PolarHBondContact O-OG 3.09Å; H242-S246 VanDerWaalsContact O-OG 3.04Å; L243-S246 PolarHBondContact O-N 3.02Å; S246-K248 PolarHBondContact O-N 3.33Å; S246-V249 WeakPolarHBondContact O-CB 3.4Å; S246-V249 PolarHBondContact O-N 2.72Å; S246-V250 WeakPolarHBondContact O-CG2 3.47Å; S246-V250 PolarHBondContact O-N 2.93Å; S246-A279 PolarHBondContact OG-O 3.15Å; S246-A279 VanDerWaalsContact OG-O 3.07Å
247C95.1Very high93.5Very high60 Ų6081.1 Ų81.141%0.40541%0.406SS..Hα-helixtrans-58.7-46.2175.3-76.50000111.8L243 E244 E245 V249 V250 E251L243-C247 WeakPolarHBondContact O-CB 3.38Å; L243-C247 PolarHBondContact O-N 3.44Å; L243-C247 PolarHBondContact O-SG 3.39Å; L243-C247 VanDerWaalsContact O-SG 3.34Å; E244-C247 PolarHBondContact O-N 3.37Å; E245-C247 VanDerWaalsContact C-N 3.33Å; E245-C247 PolarHBondContact O-N 2.88Å; C247-V249 VanDerWaalsContact C-N 3.3Å; C247-V249 PolarHBondContact O-N 3.38Å; C247-V250 PolarHBondContact O-N 3.08Å; C247-V250 VanDerWaalsContact O-N 3.16Å; C247-E251 WeakPolarHBondContact O-CG 3.1Å; C247-E251 PolarHBondContact O-N 3.4Å
248K95.1Very high93.3Very high91 Ų9181.5 Ų81.540%0.39641%0.41SS..Hα-helixtrans-61.6-36.8176.1-71.1169-174.8161.70112.5E244 E245 S246 R252E244-K248 WeakPolarHBondContact O-CG 3.12Å; E244-K248 PolarHBondContact O-N 3.03Å; E244-K248 VanDerWaalsContact OE1-CE 3.29Å; E244-K248 WeakPolarHBondContact OE1-CE 3.4Å; E244-K248 IonicContact OE1-NZ 3.88Å; E244-K248 PolarHBondContact OE1-NZ 2.9Å; E245-K248 PolarHBondContact O-N 2.89Å; S246-K248 PolarHBondContact O-N 3.33Å; K248-R252 WeakPolarHBondContact O-CG 3.35Å; K248-R252 PolarHBondContact O-N 3.16Å; K248-R252 VanDerWaalsContact O-N 3.11Å
249V94.9Very high93.3Very high5 Ų580.1 Ų80.13%0.0341%0.405CS..Hα-helixtrans-65.4-43.8175174.60000110.6E245 S246 C247 R252 G253 L272 K275 I276 A279E245-V249 WeakPolarHBondContact O-CG2 3.48Å; E245-V249 PolarHBondContact O-N 3.17Å; S246-V249 WeakPolarHBondContact O-CB 3.4Å; S246-V249 PolarHBondContact O-N 2.72Å; C247-V249 VanDerWaalsContact C-N 3.3Å; C247-V249 PolarHBondContact O-N 3.38Å; V249-R252 VanDerWaalsContact CG2-NH2 3.25Å; V249-R252 PolarHBondContact O-N 3.49Å; V249-G253 PolarHBondContact O-N 2.93Å; V249-L272 HydrophobicContact CG1-CD1 4.32Å; V249-K275 HydrophobicContact CG1-CB 4.33Å; V249-K275 HydrophobicContact CG2-CB 4.45Å; V249-I276 HydrophobicContact CG1-CB 4.34Å; V249-I276 HydrophobicContact CG1-CG1 3.48Å; V249-I276 VanDerWaalsContact CG1-CG1 3.48Å; V249-A279 HydrophobicContact CG2-CB 4.18Å
250V95Very high93.1Very high88 Ų8881.6 Ų81.653%0.53342%0.424SS..Hα-helixtrans-62.6-46.6176.8171.10000111.5S246 C247 R252 G253 I254S246-V250 WeakPolarHBondContact O-CG2 3.47Å; S246-V250 PolarHBondContact O-N 2.93Å; C247-V250 PolarHBondContact O-N 3.08Å; C247-V250 VanDerWaalsContact O-N 3.16Å; V250-R252 PolarHBondContact O-N 3.43Å; V250-G253 CarbonylContact O-C 3.6Å; V250-G253 VanDerWaalsContact O-CA 3.31Å; V250-G253 WeakPolarHBondContact O-CA 3.22Å; V250-G253 PolarHBondContact O-N 3.36Å; V250-I254 HydrophobicContact CG1-CD1 4.11Å; V250-I254 WeakPolarHBondContact O-CG1 3.4Å; V250-I254 PolarHBondContact O-N 3.38Å
251E95Very high93.1Very high112 Ų11285.6 Ų85.652%0.52343%0.433SS..Hα-helixtrans-57.9-45.9177-74.7173.3-175.900112C247 G253 I254 Q255C247-E251 WeakPolarHBondContact O-CG 3.1Å; C247-E251 PolarHBondContact O-N 3.4Å; E251-G253 VanDerWaalsContact C-N 3.29Å; E251-G253 PolarHBondContact O-N 3.25Å; E251-I254 PolarHBondContact O-N 3.08Å; E251-Q255 WeakPolarHBondContact O-CG 3.21Å; E251-Q255 PolarHBondContact O-N 3.13Å
252R92.9Very high92.9Very high95 Ų9588.9 Ų88.936%0.35845%0.447SS..Hα-helixtrans-62.7-36.5173.1-73.7-171.2-60.5-104.80.2112.3K248 V249 V250 Q255 T256 L272K248-R252 WeakPolarHBondContact O-CG 3.35Å; K248-R252 PolarHBondContact O-N 3.16Å; K248-R252 VanDerWaalsContact O-N 3.11Å; V249-R252 VanDerWaalsContact CG2-NH2 3.25Å; V249-R252 PolarHBondContact O-N 3.49Å; V250-R252 PolarHBondContact O-N 3.43Å; R252-Q255 PolarHBondContact O-N 3.44Å; R252-T256 WeakPolarHBondContact O-CB 3.33Å; R252-T256 PolarHBondContact O-N 3.37Å; R252-T256 PolarHBondContact O-OG1 3.33Å; R252-L272 HydrophobicContact CB-CD1 4.13Å
253G92.8Very high92.7Very high14 Ų1491 Ų9114%0.14447%0.469CS..Hα-helixtrans-53-54.4171.300000111.6V249 V250 E251 T256 M257V249-G253 PolarHBondContact O-N 2.93Å; V250-G253 CarbonylContact O-C 3.6Å; V250-G253 VanDerWaalsContact O-CA 3.31Å; V250-G253 WeakPolarHBondContact O-CA 3.22Å; V250-G253 PolarHBondContact O-N 3.36Å; E251-G253 VanDerWaalsContact C-N 3.29Å; E251-G253 PolarHBondContact O-N 3.25Å; G253-T256 PolarHBondContact O-N 3.37Å; G253-M257 WeakPolarHBondContact O-CG 3.41Å; G253-M257 PolarHBondContact O-N 3.26Å; G253-M257 VanDerWaalsContact O-N 3.08Å
254I92.6Very high92.4Very high94 Ų9489.5 Ų89.548%0.48246%0.462SS..Hα-helixtrans-62.6-47.7180-63.5167.4000110.9V250 E251 T256 M257 E258V250-I254 HydrophobicContact CG1-CD1 4.11Å; V250-I254 WeakPolarHBondContact O-CG1 3.4Å; V250-I254 PolarHBondContact O-N 3.38Å; E251-I254 PolarHBondContact O-N 3.08Å; I254-T256 VanDerWaalsContact C-N 3.3Å; I254-T256 PolarHBondContact O-N 3.33Å; I254-M257 WeakPolarHBondContact O-CB 3.39Å; I254-M257 PolarHBondContact O-N 3.03Å; I254-E258 PolarHBondContact O-N 2.89Å
255Q91.9Very high92.3Very high125 Ų12587.8 Ų87.858%0.58445%0.453SS*.Hα-helixtrans-59.8-39.6177.6-71.8171.66.400112.4E251 R252 M257 E258E251-Q255 WeakPolarHBondContact O-CG 3.21Å; E251-Q255 PolarHBondContact O-N 3.13Å; R252-Q255 PolarHBondContact O-N 3.44Å; Q255-M257 VanDerWaalsContact C-N 3.27Å; Q255-M257 PolarHBondContact O-N 2.93Å; Q255-E258 PolarHBondContact O-N 3Å; Q255-E258 VanDerWaalsContact O-N 3.15Å
256T91.6Very high92.2Very high27 Ų2787.5 Ų87.517%0.16645%0.454CS..Hα-helixtrans-67-30.7176.9-53.10000111.3R252 G253 I254 E258 E259 F265 N268 L272R252-T256 WeakPolarHBondContact O-CB 3.33Å; R252-T256 PolarHBondContact O-N 3.37Å; R252-T256 PolarHBondContact O-OG1 3.33Å; G253-T256 PolarHBondContact O-N 3.37Å; I254-T256 VanDerWaalsContact C-N 3.3Å; I254-T256 PolarHBondContact O-N 3.33Å; T256-E258 PolarHBondContact O-N 2.86Å; T256-E259 VanDerWaalsContact O-CB 3.28Å; T256-E259 WeakPolarHBondContact O-CB 3.44Å; T256-E259 PolarHBondContact O-N 2.69Å; T256-F265 HydrophobicContact CG2-CD2 4.03Å; T256-F265 HydrophobicContact CG2-CE2 4.21Å; T256-F265 VanDerWaalsContact O-CD2 3.32Å; T256-F265 WeakPolarHBondContact O-CD2 3.42Å; T256-N268 HydrophobicContact CG2-CB 4.49Å; T256-L272 HydrophobicContact CG2-CD2 4.25Å; T256-L272 WeakPolarHBondContact OG1-CD2 3.12Å
257M90Very high91.9Very high152 Ų15292.9 Ų92.975%0.74948%0.477SS*.Hα-helixtrans-68.6-19.2174.5-70.2-178.162.900113.6G253 I254 Q255 E259G253-M257 WeakPolarHBondContact O-CG 3.41Å; G253-M257 PolarHBondContact O-N 3.26Å; G253-M257 VanDerWaalsContact O-N 3.08Å; I254-M257 WeakPolarHBondContact O-CB 3.39Å; I254-M257 PolarHBondContact O-N 3.03Å; Q255-M257 VanDerWaalsContact C-N 3.27Å; Q255-M257 PolarHBondContact O-N 2.93Å; M257-E259 VanDerWaalsContact C-N 3.33Å
258E92.3Very high91.6Very high147 Ų14794 Ų9469%0.68748%0.479SS*.THydrogen-bonded Turntrans-85.5-5175.3-63.1176.7170.800112.8I254 Q255 T256 T260I254-E258 PolarHBondContact O-N 2.89Å; Q255-E258 PolarHBondContact O-N 3Å; Q255-E258 VanDerWaalsContact O-N 3.15Å; T256-E258 PolarHBondContact O-N 2.86Å; E258-T260 PolarHBondContact O-N 2.76Å
259E91.6Very high91.4Very high73 Ų7391.2 Ų91.234%0.34147%0.47SS..  trans-67122.4180-178.855.7-100.900111.8T256 M257 E261 L264 F265T256-E259 VanDerWaalsContact O-CB 3.28Å; T256-E259 WeakPolarHBondContact O-CB 3.44Å; T256-E259 PolarHBondContact O-N 2.69Å; M257-E259 VanDerWaalsContact C-N 3.33Å; E259-E261 PolarHBondContact OE1-N 2.59Å; E259-L264 HydrophobicContact CG-CB 4.28Å; E259-F265 HydrophobicContact CB-CB 4.43Å; E259-F265 HydrophobicContact CB-CD2 4.48Å; E259-F265 HydrophobicContact CG-CB 4.14Å
260T88.9Confident91.2Very high123 Ų123100.6 Ų100.676%0.75550%0.504SS*.  trans-86.4-26.7-178.750.30000113E258 M262E258-T260 PolarHBondContact O-N 2.76Å; T260-M262 PolarHBondContact O-N 3.16Å
261E93.6Very high91Very high118 Ų118101.4 Ų101.455%0.55151%0.506SS*.  trans-83.3105.3179.7-76.4-63139.300111.4E259 A263 L264 F265E259-E261 PolarHBondContact OE1-N 2.59Å; E261-A263 PolarHBondContact O-N 3.25Å; E261-A263 VanDerWaalsContact O-N 3.11Å; E261-L264 HydrophobicContact CB-CB 4.21Å; E261-L264 HydrophobicContact CB-CD1 3.96Å; E261-L264 HydrophobicContact CB-CG 4.15Å; E261-L264 HydrophobicContact CG-CD1 4.44Å; E261-L264 PolarHBondContact O-N 3.12Å; E261-L264 VanDerWaalsContact O-N 3.09Å; E261-F265 PolarHBondContact O-N 3.43Å
262M89.6Confident90.8Very high154 Ų15496.9 Ų96.976%0.75949%0.485SS*.Hα-helixtrans-54.8-35.5-173.8-61.317671.900114T260 L266T260-M262 PolarHBondContact O-N 3.16Å; M262-L266 VanDerWaalsContact O-CG 3.32Å; M262-L266 WeakPolarHBondContact O-CG 3.28Å; M262-L266 PolarHBondContact O-N 2.67Å; M262-L266 VanDerWaalsContact O-N 3.1Å
263A89.3Confident90.8Very high71 Ų7197.4 Ų97.459%0.58749%0.494SS*.Hα-helixtrans-70.9-41.9-18000000112.3E261 L266 Q267E261-A263 PolarHBondContact O-N 3.25Å; E261-A263 VanDerWaalsContact O-N 3.11Å; A263-L266 PolarHBondContact O-N 2.94Å; A263-Q267 WeakPolarHBondContact O-CB 3.21Å; A263-Q267 PolarHBondContact O-N 2.92Å
264L88.1Confident90.7Very high80 Ų80103 Ų10342%0.41952%0.515SS..Hα-helixtrans-67.7-38.9176.7-66.4178.6000111E259 E261 Q267 N268E259-L264 HydrophobicContact CG-CB 4.28Å; E261-L264 HydrophobicContact CB-CB 4.21Å; E261-L264 HydrophobicContact CB-CD1 3.96Å; E261-L264 HydrophobicContact CB-CG 4.15Å; E261-L264 HydrophobicContact CG-CD1 4.44Å; E261-L264 PolarHBondContact O-N 3.12Å; E261-L264 VanDerWaalsContact O-N 3.09Å; L264-Q267 PolarHBondContact O-N 3.12Å; L264-N268 PolarHBondContact O-N 3.49Å; L264-N268 VanDerWaalsContact O-N 3.13Å; L264-N268 PolarHBondContact O-ND2 3.33Å
265F92.4Very high90.7Very high67 Ų67103.6 Ų103.629%0.29451%0.514SS..Hα-helixtrans-57-54.1172.9176.9-93.6000111.9T256 E259 E261 Q267 N268 V269T256-F265 HydrophobicContact CG2-CD2 4.03Å; T256-F265 HydrophobicContact CG2-CE2 4.21Å; T256-F265 VanDerWaalsContact O-CD2 3.32Å; T256-F265 WeakPolarHBondContact O-CD2 3.42Å; E259-F265 HydrophobicContact CB-CB 4.43Å; E259-F265 HydrophobicContact CB-CD2 4.48Å; E259-F265 HydrophobicContact CG-CB 4.14Å; E261-F265 PolarHBondContact O-N 3.43Å; F265-Q267 VanDerWaalsContact C-N 3.25Å; F265-Q267 PolarHBondContact O-N 2.87Å; F265-N268 PolarHBondContact O-N 3.17Å; F265-V269 HydrophobicContact CE1-CB 4.3Å; F265-V269 HydrophobicContact CE1-CG1 4.34Å; F265-V269 HydrophobicContact CE1-CG2 4.31Å; F265-V269 HydrophobicContact CZ-CB 4.33Å; F265-V269 HydrophobicContact CZ-CG2 4.01Å; F265-V269 WeakPolarHBondContact O-CB 3.47Å; F265-V269 PolarHBondContact O-N 3.43Å
266L90.3Very high90.7Very high118 Ų118101.1 Ų101.162%0.61850%0.504SS*.Hα-helixtrans-65.1-29.1-178.4-70.7173.7000112.8M262 A263M262-L266 VanDerWaalsContact O-CG 3.32Å; M262-L266 WeakPolarHBondContact O-CG 3.28Å; M262-L266 PolarHBondContact O-N 2.67Å; M262-L266 VanDerWaalsContact O-N 3.1Å; A263-L266 PolarHBondContact O-N 2.94Å
267Q87.4Confident90.6Very high137 Ų137106.4 Ų106.464%0.6453%0.527SS*.Hα-helixtrans-69.7-38.7175.8-169.2172.414.200112.2A263 L264 F265A263-Q267 WeakPolarHBondContact O-CB 3.21Å; A263-Q267 PolarHBondContact O-N 2.92Å; L264-Q267 PolarHBondContact O-N 3.12Å; F265-Q267 VanDerWaalsContact C-N 3.25Å; F265-Q267 PolarHBondContact O-N 2.87Å
268N87.6Confident90.5Very high82 Ų82103.8 Ų103.844%0.43952%0.516SS..Hα-helixtrans-91.4-27.9-174-66.1-28.3000113.8T256 L264 F265 R270 L272T256-N268 HydrophobicContact CG2-CB 4.49Å; L264-N268 PolarHBondContact O-N 3.49Å; L264-N268 VanDerWaalsContact O-N 3.13Å; L264-N268 PolarHBondContact O-ND2 3.33Å; F265-N268 PolarHBondContact O-N 3.17Å; N268-R270 VanDerWaalsContact C-N 3.35Å; N268-R270 PolarHBondContact O-N 2.87Å; N268-L272 WeakPolarHBondContact O-CB 3.42Å; N268-L272 PolarHBondContact O-N 3.43Å
269V92.6Very high90.4Very high34 Ų3497.7 Ų97.721%0.20649%0.49CS..Hα-helixtrans-65.8-33.9-172.874.30000113.1F265 L272 L273F265-V269 HydrophobicContact CE1-CB 4.3Å; F265-V269 HydrophobicContact CE1-CG1 4.34Å; F265-V269 HydrophobicContact CE1-CG2 4.31Å; F265-V269 HydrophobicContact CZ-CB 4.33Å; F265-V269 HydrophobicContact CZ-CG2 4.01Å; F265-V269 WeakPolarHBondContact O-CB 3.47Å; F265-V269 PolarHBondContact O-N 3.43Å; V269-L272 PolarHBondContact O-N 2.84Å; V269-L273 HydrophobicContact CG2-CD1 4.13Å; V269-L273 HydrophobicContact CG2-CG 4.22Å; V269-L273 WeakPolarHBondContact O-CB 3.25Å; V269-L273 VanDerWaalsContact O-CG 3.28Å; V269-L273 WeakPolarHBondContact O-CG 3.41Å; V269-L273 PolarHBondContact O-N 2.91Å
270R89.2Confident90.1Very high201 Ų20198.3 Ų98.376%0.75850%0.503SS*.Hα-helixtrans-63.8-47.3-177-174.2-176.3179.5-168.2-0.3112.1N268 L272 K274N268-R270 VanDerWaalsContact C-N 3.35Å; N268-R270 PolarHBondContact O-N 2.87Å; R270-L272 VanDerWaalsContact C-N 3.32Å; R270-K274 PolarHBondContact O-N 3.35Å
271D90.6Very high90Very high105 Ų10595.1 Ų95.156%0.56149%0.486SS*.Hα-helixtrans-71.2-32.2179.3-70.2-22.9000111.5K274 K275D271-K274 PolarHBondContact O-N 2.91Å; D271-K275 WeakPolarHBondContact O-CG 3.28Å; D271-K275 PolarHBondContact O-N 3.09Å; D271-K275 VanDerWaalsContact O-N 3.12Å
272L91.9Very high89.5Confident18 Ų1893.4 Ų93.49%0.09448%0.483CS..Hα-helixtrans-69.4-41.5177-172.257.1000112.4V249 R252 T256 N268 V269 R270 K274 K275 I276V249-L272 HydrophobicContact CG1-CD1 4.32Å; R252-L272 HydrophobicContact CB-CD1 4.13Å; T256-L272 HydrophobicContact CG2-CD2 4.25Å; T256-L272 WeakPolarHBondContact OG1-CD2 3.12Å; N268-L272 WeakPolarHBondContact O-CB 3.42Å; N268-L272 PolarHBondContact O-N 3.43Å; V269-L272 PolarHBondContact O-N 2.84Å; R270-L272 VanDerWaalsContact C-N 3.32Å; L272-K274 VanDerWaalsContact C-N 3.28Å; L272-K274 PolarHBondContact O-N 3.44Å; L272-K275 PolarHBondContact O-N 2.96Å; L272-K275 VanDerWaalsContact O-N 3.14Å; L272-I276 HydrophobicContact CG-CD1 4.29Å; L272-I276 WeakPolarHBondContact O-CG1 3.43Å; L272-I276 PolarHBondContact O-N 3.35Å
273L92.1Very high89Confident105 Ų10590.5 Ų90.555%0.5548%0.484SS..Hα-helixtrans-59.9-39.8174.7-75171.4000111.8V269 I276 E277V269-L273 HydrophobicContact CG2-CD1 4.13Å; V269-L273 HydrophobicContact CG2-CG 4.22Å; V269-L273 WeakPolarHBondContact O-CB 3.25Å; V269-L273 VanDerWaalsContact O-CG 3.28Å; V269-L273 WeakPolarHBondContact O-CG 3.41Å; V269-L273 PolarHBondContact O-N 2.91Å; L273-I276 HydrophobicContact CD2-CD1 4.49Å; L273-I276 PolarHBondContact O-N 3.43Å; L273-E277 PolarHBondContact O-N 3.34Å
274K91.8Very high88.5Confident132 Ų13292.6 Ų92.657%0.57448%0.481SS*.Hα-helixtrans-62.6-44.5173.8-170.6-179.5178.5-176.50111.8R270 D271 L272 I276 E277 D278R270-K274 PolarHBondContact O-N 3.35Å; D271-K274 PolarHBondContact O-N 2.91Å; L272-K274 VanDerWaalsContact C-N 3.28Å; L272-K274 PolarHBondContact O-N 3.44Å; K274-I276 VanDerWaalsContact C-N 3.3Å; K274-I276 PolarHBondContact O-N 3.48Å; K274-E277 PolarHBondContact O-N 3.2Å; K274-D278 PolarHBondContact O-N 3.19Å
275K91.9Very high88.2Confident107 Ų10789.4 Ų89.447%0.46547%0.465SS..Hα-helixtrans-63.7-33.3175.7-72176.3-178.8175.60112.9V249 D271 L272 A279V249-K275 HydrophobicContact CG1-CB 4.33Å; V249-K275 HydrophobicContact CG2-CB 4.45Å; D271-K275 WeakPolarHBondContact O-CG 3.28Å; D271-K275 PolarHBondContact O-N 3.09Å; D271-K275 VanDerWaalsContact O-N 3.12Å; L272-K275 PolarHBondContact O-N 2.96Å; L272-K275 VanDerWaalsContact O-N 3.14Å; K275-A279 WeakPolarHBondContact O-CB 3.44Å; K275-A279 PolarHBondContact O-N 2.9Å
276I92.2Very high87.8Confident73 Ų7389.9 Ų89.937%0.37447%0.47SS..Hα-helixtrans-66.1-44.6174.3-70.9165.4000110.2V249 L272 L273 K274 A279 S280V249-I276 HydrophobicContact CG1-CB 4.34Å; V249-I276 HydrophobicContact CG1-CG1 3.48Å; V249-I276 VanDerWaalsContact CG1-CG1 3.48Å; L272-I276 HydrophobicContact CG-CD1 4.29Å; L272-I276 WeakPolarHBondContact O-CG1 3.43Å; L272-I276 PolarHBondContact O-N 3.35Å; L273-I276 HydrophobicContact CD2-CD1 4.49Å; L273-I276 PolarHBondContact O-N 3.43Å; K274-I276 VanDerWaalsContact C-N 3.3Å; K274-I276 PolarHBondContact O-N 3.48Å; I276-A279 PolarHBondContact O-N 2.98Å; I276-S280 VanDerWaalsContact O-CB 3.26Å; I276-S280 WeakPolarHBondContact O-CB 3.49Å; I276-S280 PolarHBondContact O-N 3.37Å; I276-S280 PolarHBondContact O-OG 2.99Å
277E89.8Confident87.5Confident137 Ų13792.6 Ų92.664%0.6448%0.477SS*.Hα-helixtrans-61.2-48.3176.9-170.4172.9-168.300111L273 K274 A279 S280 S281L273-E277 PolarHBondContact O-N 3.34Å; K274-E277 PolarHBondContact O-N 3.2Å; E277-A279 PolarHBondContact O-N 3.45Å; E277-S280 PolarHBondContact O-N 3.36Å; E277-S280 PolarHBondContact O-OG 3.45Å; E277-S281 PolarHBondContact O-N 3.2Å
278D87.9Confident87.4Confident98 Ų9889.2 Ų89.252%0.52447%0.465SS..Hα-helixtrans-60.8-46.3177.7-67.3-26000111.9K274 S280 S281K274-D278 PolarHBondContact O-N 3.19Å; D278-S280 VanDerWaalsContact C-N 3.27Å; D278-S280 PolarHBondContact O-N 3.37Å; D278-S281 PolarHBondContact O-N 2.97Å
279A89.3Confident87.2Confident18 Ų1892.7 Ų92.715%0.14948%0.479CS..Hα-helixtrans-74.7-11.2-179.900000114.3H242 S246 V249 K275 I276 E277H242-A279 PolarHBondContact CE1-O 2.83Å; H242-A279 PolarHBondContact NE2-O 3.04Å; S246-A279 PolarHBondContact OG-O 3.15Å; S246-A279 VanDerWaalsContact OG-O 3.07Å; V249-A279 HydrophobicContact CG2-CB 4.18Å; K275-A279 WeakPolarHBondContact O-CB 3.44Å; K275-A279 PolarHBondContact O-N 2.9Å; I276-A279 PolarHBondContact O-N 2.98Å; E277-A279 PolarHBondContact O-N 3.45Å
280S85.7Confident86.6Confident87 Ų87103.4 Ų103.461%0.60852%0.516SS*.Hα-helixtrans-86.5-17174.269.20000112.6I276 E277 D278I276-S280 VanDerWaalsContact O-CB 3.26Å; I276-S280 WeakPolarHBondContact O-CB 3.49Å; I276-S280 PolarHBondContact O-N 3.37Å; I276-S280 PolarHBondContact O-OG 2.99Å; E277-S280 PolarHBondContact O-N 3.36Å; E277-S280 PolarHBondContact O-OG 3.45Å; D278-S280 VanDerWaalsContact C-N 3.27Å; D278-S280 PolarHBondContact O-N 3.37Å
281S86.3Confident86.1Confident55 Ų5594.7 Ų94.739%0.38549%0.489SS..  trans-84.9114.2179.9-177.70000111.8E277 D278 H284E277-S281 PolarHBondContact O-N 3.2Å; D278-S281 PolarHBondContact O-N 2.97Å; S281-H284 PolarHBondContact O-CE1 3.45Å; S281-H284 PolarHBondContact O-ND1 3.05Å
282T83.8Confident86.1Confident83 Ų8392.3 Ų92.351%0.50947%0.472SS..  trans-96.97.7174.5530000113.3H284 L285T282-H284 PolarHBondContact O-N 3.37Å; T282-H284 VanDerWaalsContact O-N 3.13Å; T282-L285 HydrophobicContact CG2-CD1 4.24Å; T282-L285 WeakPolarHBondContact O-CB 3.49Å; T282-L285 PolarHBondContact O-N 3.11Å
283A79.8Confident85.9Confident93 Ų9398.1 Ų98.177%0.76950%0.499SS*.THydrogen-bonded Turntrans-64.3-20-174.100000113.9L285A283-L285 VanDerWaalsContact C-N 3.32Å
284H78.1Confident85.9Confident114 Ų11499.1 Ų99.153%0.52850%0.499SS..THydrogen-bonded Turntrans-84.6-3.717865.7-86.2000113.5H242 S281 T282H242-H284 AromaticContact CD2-CE1 3.3Å; H242-H284 PolarHBondContact CD2-CE1 3.18Å; H242-H284 AromaticContact CD2-NE2 3.34Å; H242-H284 PolarHBondContact CD2-NE2 3.39Å; H242-H284 VanDerWaalsContact CD2-NE2 3.34Å; H242-H284 AromaticContact NE2-CE1 3.44Å; H242-H284 PolarHBondContact NE2-CE1 3.37Å; H242-H284 AromaticContact NE2-NE2 3.98Å; S281-H284 PolarHBondContact O-CE1 3.45Å; S281-H284 PolarHBondContact O-ND1 3.05Å; T282-H284 PolarHBondContact O-N 3.37Å; T282-H284 VanDerWaalsContact O-N 3.13Å
285L81.1Confident86Confident14 Ų1495 Ų957%0.07348%0.482CS..SBendtrans-95.7128.9-179.2-59.7174.2000110.8K238 Y239 H242 T282 A283K238-L285 HydrophobicContact CB-CD2 4.35Å; Y239-L285 HydrophobicContact CD1-CD1 3.49Å; Y239-L285 VanDerWaalsContact CD1-CD1 3.49Å; Y239-L285 HydrophobicContact CE1-CB 3.95Å; Y239-L285 HydrophobicContact CE1-CD1 3.35Å; Y239-L285 HydrophobicContact CE1-CG 4.26Å; Y239-L285 HydrophobicContact CE2-CB 3.98Å; Y239-L285 HydrophobicContact CE2-CD1 4.47Å; Y239-L285 HydrophobicContact CG-CD1 4.11Å; H242-L285 HydrophobicContact CB-CD1 4.31Å; T282-L285 HydrophobicContact CG2-CD1 4.24Å; T282-L285 WeakPolarHBondContact O-CB 3.49Å; T282-L285 PolarHBondContact O-N 3.11Å; A283-L285 VanDerWaalsContact C-N 3.32Å
286D83.7Confident86Confident77 Ų7795.9 Ų95.941%0.41249%0.492SS..  trans-63.3146179.1-57.3-49000110.9L235 K238 Y239L235-D286 HydrophobicContact CD1-CB 3.94Å; L235-D286 WeakPolarHBondContact CD1-O 3.27Å; K238-D286 IonicContact NZ-OD2 2.63Å; K238-D286 PolarHBondContact NZ-OD2 2.7Å; Y239-D286 PolarHBondContact OH-O 2.8Å
287K84.2Confident86.1Confident174 Ų17497.6 Ų97.676%0.75750%0.498SS*.  trans-105.7142.8177.1-65.7179.9-176.2175.60110.3
288V86.8Confident86.3Confident66 Ų6695.5 Ų95.540%0.449%0.485SS..PPolyproline II helixtrans-73.7129.1172.5-173.20000109.1I232 L235 Y292I232-V288 HydrophobicContact CD1-CB 4.33Å; I232-V288 HydrophobicContact CD1-CG1 3.75Å; I232-V288 HydrophobicContact CD1-CG2 3.53Å; L235-V288 HydrophobicContact CD2-CG2 3.43Å; L235-V288 VanDerWaalsContact CD2-CG2 3.43Å; V288-Y292 HydrophobicContact CG1-CD1 4.15Å; V288-Y292 HydrophobicContact CG1-CG 4.06Å
289E82.9Confident86.6Confident155 Ų15599.4 Ų99.472%0.72450%0.497SS*.PPolyproline II helixtrans-66.3146.9175.2-65.3-173.216900111.5G291 Y292E289-G291 PolarHBondContact O-N 3.29Å; E289-Y292 WeakPolarHBondContact O-CB 3.22Å; E289-Y292 PolarHBondContact O-N 2.8Å
290R78.6Confident86.8Confident260 Ų260102.8 Ų102.898%0.98152%0.516SS*.THydrogen-bonded Turntrans-69.5121.4-178.4-169.5178.5-176.8-170.21.2110.3
291G80.6Confident87.2Confident18 Ų18104 Ų10419%0.18652%0.516CS..THydrogen-bonded Turntrans92.29.1-179.400000114.3E289 E293 K294E289-G291 PolarHBondContact O-N 3.29Å; G291-E293 VanDerWaalsContact C-OE2 3.28Å; G291-E293 WeakPolarHBondContact CA-OE1 3.29Å; G291-E293 WeakPolarHBondContact CA-OE2 3.48Å; G291-E293 PolarHBondContact N-OE2 3.27Å; G291-E293 PolarHBondContact O-N 3.09Å; G291-K294 WeakPolarHBondContact O-CB 3.29Å; G291-K294 WeakPolarHBondContact O-CG 3.45Å; G291-K294 PolarHBondContact O-N 3.31Å
292Y88.6Confident87.7Confident54 Ų54106.8 Ų106.821%0.21252%0.521CS..THydrogen-bonded Turntrans-54.7-32.1175.2-171.7-104.2000112.7K228 Y231 I232 V288 E289 K294K228-Y292 WeakPolarHBondContact CA-OH 3.33Å; K228-Y292 HydrophobicContact CB-CE1 3.7Å; K228-Y292 HydrophobicContact CD-CE1 4.36Å; K228-Y292 WeakPolarHBondContact CD-O 3.45Å; K228-Y292 VanDerWaalsContact CE-O 3.24Å; K228-Y292 WeakPolarHBondContact CE-O 3.3Å; K228-Y292 HydrophobicContact CG-CD1 4.44Å; K228-Y292 HydrophobicContact CG-CE1 3.72Å; K228-Y292 HydrophobicContact CG-CE2 4.35Å; K228-Y292 PolarHBondContact NZ-O 2.9Å; Y231-Y292 VanDerWaalsContact CB-OH 3.31Å; Y231-Y292 WeakPolarHBondContact CB-OH 3.46Å; Y231-Y292 AromaticContact CD1-CE1 3.71Å; Y231-Y292 HydrophobicContact CD1-CE1 3.71Å; Y231-Y292 HydrophobicContact CD1-CE2 4.28Å; Y231-Y292 AromaticContact CD1-CZ 3.53Å; Y231-Y292 WeakPolarHBondContact CD1-OH 3.24Å; Y231-Y292 HydrophobicContact CE1-CE1 4.45Å; I232-Y292 HydrophobicContact CD1-CD1 3.95Å; I232-Y292 HydrophobicContact CD1-CE1 4.04Å; I232-Y292 HydrophobicContact CG1-CD1 4.15Å; I232-Y292 HydrophobicContact CG1-CE1 3.92Å; V288-Y292 HydrophobicContact CG1-CD1 4.15Å; V288-Y292 HydrophobicContact CG1-CG 4.06Å; E289-Y292 WeakPolarHBondContact O-CB 3.22Å; E289-Y292 PolarHBondContact O-N 2.8Å; Y292-K294 PolarHBondContact O-N 3.1Å
293E88.4Confident88.3Confident140 Ų140112.1 Ų112.165%0.65453%0.532SS*.THydrogen-bonded Turntrans-67.1-15.3177.168.6-77.6177.600114.6G291G291-E293 VanDerWaalsContact C-OE2 3.28Å; G291-E293 WeakPolarHBondContact CA-OE1 3.29Å; G291-E293 WeakPolarHBondContact CA-OE2 3.48Å; G291-E293 PolarHBondContact N-OE2 3.27Å; G291-E293 PolarHBondContact O-N 3.09Å
294K92.9Very high89.1Confident127 Ų127117.9 Ų117.955%0.55253%0.534SS*.  trans-76.6137.3-175.9-63.9-179.7179.8179.80111.4K228 G291 Y292K228-K294 PolarHBondContact NZ-O 3.07Å; G291-K294 WeakPolarHBondContact O-CB 3.29Å; G291-K294 WeakPolarHBondContact O-CG 3.45Å; G291-K294 PolarHBondContact O-N 3.31Å; Y292-K294 PolarHBondContact O-N 3.1Å
295M93.7Very high89.9Confident45 Ų45116.8 Ų116.822%0.22253%0.529CS..  trans-131.820.2174.4-61.1-17373.300112.5V221 E224 Q225 H297 Y298V221-M295 HydrophobicContact CG1-CE 3.92Å; V221-M295 WeakPolarHBondContact O-CE 3.13Å; E224-M295 HydrophobicContact CB-CE 3.8Å; E224-M295 HydrophobicContact CG-CE 3.93Å; Q225-M295 HydrophobicContact CB-CE 4.2Å; Q225-M295 HydrophobicContact CB-SD 4.24Å; M295-H297 PolarHBondContact O-N 2.77Å; M295-H297 VanDerWaalsContact O-N 3.09Å; M295-Y298 HydrophobicContact CB-CD2 4.42Å; M295-Y298 HydrophobicContact CE-CD2 4.38Å; M295-Y298 HydrophobicContact CE-CE2 3.84Å; M295-Y298 WeakPolarHBondContact O-CD2 3.28Å; M295-Y298 PolarHBondContact O-N 3.28Å
296D92.2Very high90.5Very high125 Ų125125.2 Ų125.267%0.66856%0.56SS**THydrogen-bonded Turntrans-70.5-4.2-173.5-57.8-29.1000114.4Y298 K299D296-Y298 VanDerWaalsContact C-N 3.27Å; D296-K299 WeakPolarHBondContact O-CE 3.41Å
297H92.9Very high91.1Very high110 Ų110129.6 Ų129.651%0.50958%0.575SS.*THydrogen-bonded Turntrans-72.9-18.3175.956.3-73.5000113E224 M295 K299E224-H297 IonicContact OE1-CE1 3.51Å; E224-H297 PolarHBondContact OE1-CE1 3.25Å; E224-H297 IonicContact OE1-NE2 2.84Å; E224-H297 IonicContact OE2-CE1 2.78Å; E224-H297 PolarHBondContact OE2-CE1 3.41Å; E224-H297 IonicContact OE2-NE2 2.93Å; E224-H297 PolarHBondContact OE2-NE2 3.43Å; M295-H297 PolarHBondContact O-N 2.77Å; M295-H297 VanDerWaalsContact O-N 3.09Å; H297-K299 VanDerWaalsContact C-N 3.34Å; H297-K299 PolarHBondContact O-N 3.09Å
298Y94.5Very high91.6Very high92 Ų92124 Ų12436%0.36156%0.561SS.*  trans-74.485.2171.5-68.6-73.5000111K220 V221 E224 M295 D296K220-Y298 HydrophobicContact CB-CE1 4.29Å; K220-Y298 PolarHBondContact O-OH 3.32Å; V221-Y298 HydrophobicContact CG1-CD2 4.43Å; V221-Y298 HydrophobicContact CG2-CD1 3.76Å; V221-Y298 HydrophobicContact CG2-CD2 3.97Å; V221-Y298 HydrophobicContact CG2-CE1 4.02Å; V221-Y298 HydrophobicContact CG2-CE2 4.22Å; V221-Y298 HydrophobicContact CG2-CG 3.74Å; E224-Y298 WeakPolarHBondContact OE2-CE2 3.47Å; E224-Y298 PolarHBondContact OE2-OH 2.7Å; M295-Y298 HydrophobicContact CB-CD2 4.42Å; M295-Y298 HydrophobicContact CE-CD2 4.38Å; M295-Y298 HydrophobicContact CE-CE2 3.84Å; M295-Y298 WeakPolarHBondContact O-CD2 3.28Å; M295-Y298 PolarHBondContact O-N 3.28Å; D296-Y298 VanDerWaalsContact C-N 3.27Å
299K94.3Very high91.9Very high180 Ų180124.7 Ų124.778%0.78356%0.562SS**  trans-109.6141.4175.1-63.3-179.7-178.3176.90110.3D296 H297D296-K299 WeakPolarHBondContact O-CE 3.41Å; H297-K299 VanDerWaalsContact C-N 3.34Å; H297-K299 PolarHBondContact O-N 3.09Å
300V94.2Very high92.4Very high90 Ų90120.6 Ų120.655%0.54556%0.562SS.*  trans-125.1134.7-179.6-59.60000110.6M217 F302M217-V300 HydrophobicContact CE-CB 4.36Å; M217-V300 HydrophobicContact CE-CG1 3.32Å; V300-F302 HydrophobicContact CB-CE2 3.75Å; V300-F302 HydrophobicContact CB-CZ 3.79Å; V300-F302 HydrophobicContact CG1-CZ 4.31Å; V300-F302 HydrophobicContact CG2-CD2 4.35Å; V300-F302 HydrophobicContact CG2-CE2 3.57Å; V300-F302 HydrophobicContact CG2-CZ 4.08Å
301D94.8Very high93.2Very high112 Ų112112.5 Ų112.560%0.59955%0.545SS*.  trans-127.4121.5173.2-177.10.2000108.6R303D301-R303 WeakPolarHBondContact OD1-CB 3.47Å; D301-R303 WeakPolarHBondContact OD1-CG 3.28Å; D301-R303 PolarHBondContact OD1-N 3.22Å
302F95.6Very high93.8Very high114 Ų114116 Ų11650%0.556%0.559SS.*  trans-114.921.6-178.3-58.2-64.6000112.9V300 R304 E305 R306V300-F302 HydrophobicContact CB-CE2 3.75Å; V300-F302 HydrophobicContact CB-CZ 3.79Å; V300-F302 HydrophobicContact CG1-CZ 4.31Å; V300-F302 HydrophobicContact CG2-CD2 4.35Å; V300-F302 HydrophobicContact CG2-CE2 3.57Å; V300-F302 HydrophobicContact CG2-CZ 4.08Å; F302-R304 VanDerWaalsContact C-N 3.33Å; F302-R304 PolarHBondContact O-N 2.99Å; F302-E305 VanDerWaalsContact C-OE2 3.24Å; F302-E305 WeakPolarHBondContact CA-OE2 3.43Å; F302-R306 VanDerWaalsContact O-CB 3.27Å; F302-R306 WeakPolarHBondContact O-CB 3.38Å; F302-R306 PolarHBondContact O-N 3.12Å
303R96.9Very high94Very high195 Ų195119.6 Ų119.674%0.73658%0.581SS**Hα-helixtrans-63.9-35.9-176.5-7517482.6-174.86.6112.9D301 K307D301-R303 WeakPolarHBondContact OD1-CB 3.47Å; D301-R303 WeakPolarHBondContact OD1-CG 3.28Å; D301-R303 PolarHBondContact OD1-N 3.22Å; R303-K307 PolarHBondContact O-N 3.36Å; R303-K307 VanDerWaalsContact O-N 3.16Å
304R95.4Very high94.3Very high214 Ų214120.4 Ų120.481%0.80858%0.583SS**Hα-helixtrans-71.4-45.7-179.6-68.3-177.2178.9-173.9-0.2111F302 K307 A308F302-R304 VanDerWaalsContact C-N 3.33Å; F302-R304 PolarHBondContact O-N 2.99Å; R304-K307 WeakPolarHBondContact O-CB 3.43Å; R304-K307 PolarHBondContact O-N 2.94Å; R304-K307 VanDerWaalsContact O-N 3.12Å; R304-A308 PolarHBondContact O-N 3.27Å
305E95.1Very high94.1Very high90 Ų90120 Ų12042%0.42159%0.586SS.*Hα-helixtrans-63.9-43.9179.6-63.470.4-158.900109.9F302 K307 A308 L309F302-E305 VanDerWaalsContact C-OE2 3.24Å; F302-E305 WeakPolarHBondContact CA-OE2 3.43Å; E305-K307 VanDerWaalsContact C-N 3.28Å; E305-K307 PolarHBondContact O-N 3.32Å; E305-A308 PolarHBondContact O-N 3.34Å; E305-L309 WeakPolarHBondContact O-CB 3.42Å; E305-L309 VanDerWaalsContact O-CG 3.31Å; E305-L309 WeakPolarHBondContact O-CG 3.48Å; E305-L309 PolarHBondContact O-N 3.3Å
306R94.3Very high93.6Very high192 Ų192126.7 Ų126.773%0.72561%0.609SS**Hα-helixtrans-58.3-41.6172.8-176.9-174.7-64.4-105-0.5111.9F302 G310F302-R306 VanDerWaalsContact O-CB 3.27Å; F302-R306 WeakPolarHBondContact O-CB 3.38Å; F302-R306 PolarHBondContact O-N 3.12Å; R306-G310 PolarHBondContact O-N 3.38Å
307K96Very high92.1Very high168 Ų168127.9 Ų127.973%0.7362%0.615SS**Hα-helixtrans-65.8-44.1177.6-171.3-177.5177.8-172.90111.1R303 R304 E305 G310 S311R303-K307 PolarHBondContact O-N 3.36Å; R303-K307 VanDerWaalsContact O-N 3.16Å; R304-K307 WeakPolarHBondContact O-CB 3.43Å; R304-K307 PolarHBondContact O-N 2.94Å; R304-K307 VanDerWaalsContact O-N 3.12Å; E305-K307 VanDerWaalsContact C-N 3.28Å; E305-K307 PolarHBondContact O-N 3.32Å; K307-G310 PolarHBondContact O-N 3.18Å; K307-S311 PolarHBondContact O-N 3.22Å; K307-S311 PolarHBondContact O-OG 3.46Å
308A94.5Very high90.2Very high56 Ų56130 Ų13046%0.46363%0.63SS.*Hα-helixtrans-63.8-43.4177.900000112.3R304 E305 G310 S311R304-A308 PolarHBondContact O-N 3.27Å; E305-A308 PolarHBondContact O-N 3.34Å; A308-G310 VanDerWaalsContact C-N 3.29Å; A308-G310 PolarHBondContact O-N 3.27Å; A308-S311 PolarHBondContact O-N 3.21Å; A308-S311 PolarHBondContact O-OG 2.92Å
309L94.3Very high88.2Confident82 Ų82131.9 Ų131.943%0.42965%0.646SS.*Hα-helixtrans-64.6-34.3174.6-69.8174.5000112.1E305 S311 L312E305-L309 WeakPolarHBondContact O-CB 3.42Å; E305-L309 VanDerWaalsContact O-CG 3.31Å; E305-L309 WeakPolarHBondContact O-CG 3.48Å; E305-L309 PolarHBondContact O-N 3.3Å; L309-S311 VanDerWaalsContact C-N 3.26Å; L309-S311 PolarHBondContact O-N 3.08Å; L309-L312 HydrophobicContact CD2-CD1 3.89Å; L309-L312 WeakPolarHBondContact O-CG 3.17Å; L309-L312 PolarHBondContact O-N 3.48Å
310G93Very high85.9Confident69 Ų69128.6 Ų128.671%0.71164%0.638SS**Hα-helixtrans-72.6-14.8176.900000114.6R306 K307 A308R306-G310 PolarHBondContact O-N 3.38Å; K307-G310 PolarHBondContact O-N 3.18Å; A308-G310 VanDerWaalsContact C-N 3.29Å; A308-G310 PolarHBondContact O-N 3.27Å
311S94.4Very high83.7Confident89 Ų89133 Ų13362%0.62265%0.652SS**THydrogen-bonded Turntrans-100.58177.158.40000113.8K307 A308 L309 D313K307-S311 PolarHBondContact O-N 3.22Å; K307-S311 PolarHBondContact O-OG 3.46Å; A308-S311 PolarHBondContact O-N 3.21Å; A308-S311 PolarHBondContact O-OG 2.92Å; L309-S311 VanDerWaalsContact C-N 3.26Å; L309-S311 PolarHBondContact O-N 3.08Å; S311-D313 PolarHBondContact O-N 3Å
312L93.3Very high81.3Confident92 Ų92134.7 Ų134.748%0.48266%0.661SS.*  trans-68.9125.9177-64.9175.2000110.3F203 L206 L309F203-L312 HydrophobicContact CE1-CD1 4.09Å; F203-L312 HydrophobicContact CZ-CD1 4.42Å; L206-L312 HydrophobicContact CD1-CD1 4.19Å; L309-L312 HydrophobicContact CD2-CD1 3.89Å; L309-L312 WeakPolarHBondContact O-CG 3.17Å; L309-L312 PolarHBondContact O-N 3.48Å
313D94.3Very high78.8Confident129 Ų129138.1 Ų138.169%0.6968%0.679SS**  trans-144.4169.6175.2-158.8-1.9000109.4S311S311-D313 PolarHBondContact O-N 3Å
314F93.2Very high76.2Confident157 Ų157138.2 Ų138.269%0.68969%0.688SS**PPolyproline II helixtrans-67.4136.8171.5-68.5-75.3000110.8V199 R316V199-F314 HydrophobicContact CG2-CE1 3.58Å; V199-F314 HydrophobicContact CG2-CZ 3.95Å; F314-R316 PolarHBondContact O-N 2.96Å
315I90.1Very high73.8Confident120 Ų120137 Ų13762%0.61569%0.691SS**PPolyproline II helixtrans-64.2133.3169.8-57.3170.6000107.4
316R81.9Confident71.2Confident184 Ų184136.3 Ų136.369%0.69471%0.708SS**PPolyproline II helixtrans-93.6135.3172.7-62.9-179.4-175.7179.72.4106.7F314 D318 D319F314-R316 PolarHBondContact O-N 2.96Å; R316-D318 PolarHBondContact O-N 3.14Å; R316-D319 PolarHBondContact O-N 3.1Å
317D60.7Low68.5Low151 Ų151135.1 Ų135.181%0.80772%0.716SS**THydrogen-bonded Turntrans-59.57.4-173.2-60.3-39.4000115.4
318D54.3Low65.6Low155 Ų155130.5 Ų130.583%0.82972%0.716SS**THydrogen-bonded Turntrans-86.2-6.8172.9-65.2-39.8000112.9R316R316-D318 PolarHBondContact O-N 3.14Å
319D51.6Low62.9Low130 Ų130137.5 Ų137.570%0.69574%0.739SS**SBendtrans-114.59.9-175.7-73.7-35.9000114.8R316R316-D319 PolarHBondContact O-N 3.1Å
320D47.1Very low60Low112 Ų112138.9 Ų138.960%0.59976%0.762SS**  trans-104.851.3-177.6-79-30.9000114.1
321E46.5Very low57.1Low182 Ų182139.2 Ų139.285%0.8577%0.766SS**SBendtrans-112.777.6147.3-80.2-169.6-170.600108.5
322N45.9Very low54.3Low147 Ų147144.8 Ų144.879%0.78678%0.782SS**SBendtrans153.496.9147.6-82.3-50000108.9
323E42.7Very low51.2Low187 Ų187144 Ų14487%0.87480%0.796SS**  trans-171.779.2135.3-101167.2-149.400106.9E325E323-E325 PolarHBondContact O-N 3.16Å; E323-E325 VanDerWaalsContact O-N 3.12Å
324E42.1Very low48.2Very low197 Ų197142.9 Ų142.992%0.92181%0.805SS**  trans-62.4104.7156-74-173.8164.600107.1G326E324-G326 VanDerWaalsContact C-N 3.34Å; E324-G326 PolarHBondContact O-N 2.91Å
325E43.6Very low45.3Very low189 Ų189147.1 Ų147.188%0.88382%0.817SS**  trans-66.7101.6159.7-76.9-163.5169.100107.6E323 D327E323-E325 PolarHBondContact O-N 3.16Å; E323-E325 VanDerWaalsContact O-N 3.12Å; E325-D327 PolarHBondContact O-N 3.12Å
326G41.7Very low42.5Very low74 Ų74148.4 Ų148.476%0.76383%0.83SS**  trans-65.5119.8168.800000109.9E324E324-G326 VanDerWaalsContact C-N 3.34Å; E324-G326 PolarHBondContact O-N 2.91Å
327D38.2Very low40Very low167 Ų167146.2 Ų146.289%0.89384%0.837SS**  trans-127.8112.9148.6-121.2-11.7000107.5E325E325-D327 PolarHBondContact O-N 3.12Å
328G34.8Very low38.7Very low71 Ų71144.9 Ų144.973%0.73284%0.839SS**  trans-80132174.300000109.7
329E36.3Very low37.5Very low203 Ų203141 Ų14195%0.94984%0.837SS**  trans-157.1143.1133.7-110.9177.6-162.400110.7
330A35.4Very low36.3Very low111 Ų111138.8 Ų138.892%0.91784%0.844SS**  trans-74.3147.2-162.700000114.2
331G32Very low35.5Very low77 Ų77138.1 Ų138.179%0.79485%0.854SS**  trans-165.3100.7165.500000111.1
332E33.8Very low35Very low205 Ų205134.1 Ų134.196%0.95885%0.852SS**  trans-64.5145.2177.7-67.6178.9132.400113.1
333G29.3Very low34.4Very low76 Ų76133.5 Ų133.578%0.78485%0.854SS**  trans103.195.4139.700000117.6
334A31.3Very low34Very low106 Ų106130.2 Ų130.288%0.87685%0.851SS**  159.7125.9108.700000111.6
335R31.2Very low33.8Very low246 Ų246125.3 Ų125.393%0.92884%0.844SS**  trans-63.6141.3172-64.5167.5167175-5.3111.5
336T31.5Very low33.9Very low147 Ų147122 Ų12290%0.90284%0.839SS**  trans-150.3141.7131.943.40000111.1
337V30.6Very low34Very low137 Ų137124.7 Ų124.783%0.8384%0.843SS**  trans-91.9145.4-175.1164.40000110.3
338S32Very low33.9Very low123 Ų123121.4 Ų121.486%0.8684%0.839SS**  trans151.5144142.751.80000108.2
339G28.9Very low34.3Very low75 Ų75126.6 Ų126.677%0.77385%0.845SS**  cis165127.710.400000103.4
340G27.3Very low34.6Very low83 Ų83123.1 Ų123.186%0.85684%0.839SS**  trans-70.7168-165.200000115.6
341A30.7Very low34.8Very low98 Ų98123.2 Ų123.281%0.8183%0.833SS**  trans-166.6117.4140.300000109.2
342A35.2Very low35.3Very low98 Ų98124 Ų12481%0.8183%0.832SS**  trans-66.7141.3164.400000110.2
343V34.2Very low35.7Very low134 Ų134120.2 Ų120.281%0.81283%0.826SS**  trans-153.5100155.8-890000110.7
344S33.9Very low36.3Very low118 Ų118125.7 Ų125.783%0.82583%0.831SS**  43.5119.6129.4-50.20000120.7
345A37Very low36.7Very low94 Ų94129.9 Ų129.978%0.77783%0.832SS**PPolyproline II helixtrans-55.8152.4164.300000114.1
346P46.2Very low37Very low120 Ų120125.6 Ų125.678%0.77983%0.826SS**PPolyproline II helixtrans-94.2155.5160.333.3-24.7000112.1
347P43.6Very low37.5Very low130 Ų130126.1 Ų126.184%0.84482%0.823SS**PPolyproline II helixtrans-85.4168.6-169.835.2-34.7000114
348A35.9Very low38.2Very low98 Ų98124.8 Ų124.881%0.8182%0.817SS**PPolyproline II helixtrans-53.3155.9-175.900000117
349Q44.4Very low38.4Very low180 Ų180124.1 Ų124.184%0.84181%0.813SS**PPolyproline II helixtrans-53.5165170.9-61.2-177-36.900114.3
350P43Very low38.7Very low129 Ų129129 Ų12984%0.83882%0.82SS**  trans-117.3147.4133.59.910.3000112.8
351S39.3Very low39.5Very low113 Ų113130 Ų13079%0.7982%0.815SS**PPolyproline II helixtrans-69148.2-167.2-410000115.2
352A43Very low40.1Very low94 Ų94131.4 Ų131.478%0.77782%0.815SS**PPolyproline II helixtrans-83.4144.6168.100000111.7
353P41.7Very low40.3Very low126 Ų126133.5 Ų133.582%0.81882%0.818SS**PPolyproline II helixtrans-79138.2176.729.3-31000112.7
354Q41.8Very low40.8Very low190 Ų190138.5 Ų138.589%0.88882%0.822SS**PPolyproline II helixtrans-60.7128.7175.7-73.4170.5-20.800112
355Q38.7Very low41.1Very low194 Ų194138.6 Ų138.691%0.90782%0.823SS**PPolyproline II helixtrans-100.9121.5159.1-86.6-173.1-16.100110.5
356I38.3Very low41.3Very low157 Ų157139.7 Ų139.781%0.80583%0.825SS**PPolyproline II helixtrans-65.6127.4175.2-64.9158.5000108.8
357N41.8Very low41.6Very low157 Ų157139.7 Ų139.784%0.8483%0.825SS**  trans-105.8121.1171.9-13912.4000108.3
358P44.4Very low41.7Very low109 Ų109138.8 Ų138.871%0.70882%0.822SS**  trans-89.7128.6165.515.10.9000110.7
359S36.5Very low42.4Very low109 Ų109144.4 Ų144.476%0.76285%0.846SS**  trans-52.3138.8168.9260000114.2
360L35.3Very low42.3Very low178 Ų178142.7 Ų142.793%0.93285%0.847SS**  trans-131.5113.3157.3-84.2168.1000109.9
361S44.9Very low42.3Very low105 Ų105143.4 Ų143.473%0.73485%0.847SS**  trans-83.7166.3170.4-50.30000110.7
362P42.9Very low42.4Very low127 Ų127145.1 Ų145.183%0.82585%0.85SS**  trans-93.4142.6-158.435.7-31.3000113.2
363T39.2Very low42.4Very low141 Ų141148.1 Ų148.187%0.86586%0.855SS**  trans-104.7112167.444.80000111.1
364R44.3Very low42.4Very low239 Ų239149.4 Ų149.490%0.90286%0.857SS**  trans-49.4143.3152.8-82.8173.4152.6-140.2-3110.2
365S40Very low42.5Very low121 Ų121146.7 Ų146.785%0.84686%0.855SS**  trans-169.4111.1141-76.40000110.4
366S41.4Very low42.8Very low117 Ų117143.4 Ų143.482%0.81885%0.851SS**  trans-79.4156.9147.1-43.60000107.8
367P53.1Low43.1Very low120 Ų120142.3 Ų142.378%0.77986%0.855SS**  -147.8159.796.134.7-16.2000116
368S46.2Very low43.2Very low111 Ų111141.1 Ų141.178%0.77686%0.856SS**  trans4.7125.1150.8-41.10000119.9
369T50.3Low43.1Very low216 Ų216144 Ų144100%1.32587%0.87SS**  -162.6097.6-59.40000108.5

Retrieved 369 of 369 residues in 556.9 ms (Link to these results)

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