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Non-structural maintenance of chromosomes element 1 homolog

RING-type zinc finger-containing E3 ubiquitin ligase that assembles with melanoma antigen protein (MAGE) to catalyze the direct transfer of ubiquitin from E2 ubiquitin-conjugating enzyme to a specific substrate. Involved in maintenance of genome integrity, DNA damage response and DNA repair.

AlphaFold DB , UniProt , Accession A0A060YG66, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene nsmce1, Length 272 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
1M49.3Very low83.5Confident247 Ų24793 Ų93100%1.21746%0.463SS*.  0124.10-67.9-175-177.400107.3
2S61.8Low84.6Confident67 Ų6785.3 Ų85.347%0.46942%0.424SS..PPolyproline II helixtrans-68140.2-179.647.30000110.4Q57S2-Q57 PolarHBondContact OG-NE2 2.6Å
3R73.5Confident85.4Confident188 Ų18880.8 Ų80.871%0.70940%0.402SS*.PPolyproline II helixtrans-62.1133.7177.5-165.1177.2-173.8174.21.6108.7V53 Q57R3-V53 HydrophobicContact CB-CG1 4.31Å; R3-Q57 PolarHBondContact O-NE2 2.6Å
4P79.8Confident86.1Confident110 Ų11082.9 Ų82.971%0.71441%0.41SS*.PPolyproline II helixtrans-64.9144.4-177.625.4-33.4000111.1G6P4-G6 PolarHBondContact O-N 2.97Å
5L87.2Confident86.6Confident41 Ų4179.8 Ų79.822%0.21540%0.398CS..  trans-76.4110.5-177.8-142.5125.6000109.9H9 K10 I54 Q57L5-H9 HydrophobicContact CD2-CB 3.49Å; L5-H9 VanDerWaalsContact CD2-CB 3.49Å; L5-H9 HydrophobicContact CG-CB 3.63Å; L5-K10 HydrophobicContact CD2-CB 4.29Å; L5-K10 HydrophobicContact CD2-CG 3.47Å; L5-K10 VanDerWaalsContact CD2-CG 3.47Å; L5-I54 HydrophobicContact CD1-CG1 4.45Å; L5-Q57 HydrophobicContact CB-CG 4.28Å; L5-Q57 HydrophobicContact CD1-CB 3.48Å; L5-Q57 VanDerWaalsContact CD1-CB 3.48Å; L5-Q57 HydrophobicContact CD1-CG 3.49Å; L5-Q57 VanDerWaalsContact CD1-CG 3.49Å; L5-Q57 HydrophobicContact CG-CG 4.46Å
6G91.6Very high87Confident29 Ų2974.8 Ų74.830%0.29937%0.373SS..  trans-73.2166.3175.500000113.4P4 S8 H9 K10P4-G6 PolarHBondContact O-N 2.97Å; G6-S8 VanDerWaalsContact C-N 3.27Å; G6-S8 PolarHBondContact O-N 3.03Å; G6-H9 PolarHBondContact N-ND1 2.94Å; G6-H9 VanDerWaalsContact N-ND1 3.18Å; G6-H9 WeakPolarHBondContact O-CB 3.3Å; G6-H9 PolarHBondContact O-N 3.26Å; G6-K10 PolarHBondContact O-N 3.49Å; G6-K10 VanDerWaalsContact O-N 3.13Å
7E94.8Very high87.2Confident103 Ų10377.2 Ų77.248%0.48139%0.385SS..Hα-helixtrans-59.8-35-179.7-64.9-54.4122.900113.2H9 K10 R11 H38E7-H9 VanDerWaalsContact C-N 3.3Å; E7-H9 PolarHBondContact O-N 2.82Å; E7-K10 PolarHBondContact O-N 2.84Å; E7-K10 WeakPolarHBondContact OE1-CE 3.19Å; E7-K10 IonicContact OE1-NZ 2.81Å; E7-K10 PolarHBondContact OE1-NZ 3.47Å; E7-R11 WeakPolarHBondContact O-CB 3.34Å; E7-R11 PolarHBondContact O-N 3.49Å; E7-H38 HydrophobicContact CB-CB 4.4Å
8S95Very high87.3Confident5 Ų580 Ų804%0.03541%0.406CS..Hα-helixtrans-57.6-42.3172.654.70000112.3G6 F12 C34G6-S8 VanDerWaalsContact C-N 3.27Å; G6-S8 PolarHBondContact O-N 3.03Å; S8-F12 WeakPolarHBondContact O-CB 3.17Å; S8-F12 PolarHBondContact O-N 2.94Å; S8-C34 WeakPolarHBondContact CB-O 3.49Å; S8-C34 WeakPolarHBondContact O-CB 3.39Å
9H95.5Very high87.4Confident25 Ų2580.5 Ų80.512%0.11641%0.41CS..Hα-helixtrans-67.8-41.9177.8-5795000111.6L5 G6 E7 F12 L13 F50 I54L5-H9 HydrophobicContact CD2-CB 3.49Å; L5-H9 VanDerWaalsContact CD2-CB 3.49Å; L5-H9 HydrophobicContact CG-CB 3.63Å; G6-H9 PolarHBondContact N-ND1 2.94Å; G6-H9 VanDerWaalsContact N-ND1 3.18Å; G6-H9 WeakPolarHBondContact O-CB 3.3Å; G6-H9 PolarHBondContact O-N 3.26Å; E7-H9 VanDerWaalsContact C-N 3.3Å; E7-H9 PolarHBondContact O-N 2.82Å; H9-F12 WeakPolarHBondContact O-CB 3.23Å; H9-F12 PolarHBondContact O-N 2.93Å; H9-L13 WeakPolarHBondContact O-CB 3.16Å; H9-L13 PolarHBondContact O-N 3.11Å; H9-F50 HydrophobicContact CB-CZ 4.21Å; H9-F50 AromaticContact CD2-CD2 3.6Å; H9-F50 AromaticContact CD2-CE1 3.85Å; H9-F50 AromaticContact CD2-CE2 3.32Å; H9-F50 WeakPolarHBondContact CD2-CE2 3.27Å; H9-F50 AromaticContact CD2-CG 3.98Å; H9-F50 AromaticContact CD2-CZ 3.47Å; H9-F50 VanDerWaalsContact CD2-CZ 3.47Å; H9-F50 WeakPolarHBondContact CD2-CZ 3.3Å; H9-F50 AromaticContact CE1-CE2 3.95Å; H9-F50 AromaticContact CG-CE2 3.85Å; H9-F50 AromaticContact CG-CZ 3.81Å; H9-F50 AromaticContact NE2-CD2 3.45Å; H9-F50 WeakPolarHBondContact NE2-CD2 3.42Å; H9-F50 AromaticContact NE2-CE2 3.43Å; H9-F50 WeakPolarHBondContact NE2-CE2 3.45Å; H9-I54 HydrophobicContact CB-CD1 4.16Å; H9-I54 HydrophobicContact CB-CG1 3.82Å
10K95.1Very high87.3Confident88 Ų8876.9 Ų76.938%0.38339%0.393SS..Hα-helixtrans-61.6-45.7177-63.2-178.3-171.91640110.9L5 G6 E7 F12 L13 Q14L5-K10 HydrophobicContact CD2-CB 4.29Å; L5-K10 HydrophobicContact CD2-CG 3.47Å; L5-K10 VanDerWaalsContact CD2-CG 3.47Å; G6-K10 PolarHBondContact O-N 3.49Å; G6-K10 VanDerWaalsContact O-N 3.13Å; E7-K10 PolarHBondContact O-N 2.84Å; E7-K10 WeakPolarHBondContact OE1-CE 3.19Å; E7-K10 IonicContact OE1-NZ 2.81Å; E7-K10 PolarHBondContact OE1-NZ 3.47Å; K10-F12 VanDerWaalsContact C-N 3.35Å; K10-F12 PolarHBondContact O-N 2.68Å; K10-L13 PolarHBondContact O-N 3.4Å; K10-Q14 VanDerWaalsContact O-CG 3.3Å; K10-Q14 WeakPolarHBondContact O-CG 3.25Å; K10-Q14 PolarHBondContact O-N 2.98Å
11R95.3Very high87.5Confident120 Ų12074.6 Ų74.645%0.45338%0.382SS..Hα-helixtrans-64.2-39.3178.1-176.259.6174.2-153.2-2112.4E7 Q14 T15E7-R11 WeakPolarHBondContact O-CB 3.34Å; E7-R11 PolarHBondContact O-N 3.49Å; R11-Q14 PolarHBondContact O-N 3.27Å; R11-T15 PolarHBondContact O-N 2.87Å; R11-T15 PolarHBondContact O-OG1 3.36Å
12F96.3Very high89.7Confident0 Ų063.4 Ų63.40%033%0.327CS..Hα-helixtrans-59.7-51173.9-173.3-85.1000110.5S8 H9 K10 Q14 T15 M16 L30 H31 L47 F50 I51 I54 I65S8-F12 WeakPolarHBondContact O-CB 3.17Å; S8-F12 PolarHBondContact O-N 2.94Å; H9-F12 WeakPolarHBondContact O-CB 3.23Å; H9-F12 PolarHBondContact O-N 2.93Å; K10-F12 VanDerWaalsContact C-N 3.35Å; K10-F12 PolarHBondContact O-N 2.68Å; F12-Q14 PolarHBondContact O-N 2.95Å; F12-T15 PolarHBondContact O-N 3.49Å; F12-M16 HydrophobicContact CD1-CG 3.83Å; F12-M16 HydrophobicContact CE1-CG 3.6Å; F12-M16 HydrophobicContact CE1-SD 4.05Å; F12-M16 HydrophobicContact CZ-CG 4.35Å; F12-M16 HydrophobicContact CZ-SD 4.3Å; F12-M16 WeakPolarHBondContact O-CG 3.42Å; F12-M16 PolarHBondContact O-N 2.98Å; F12-L30 HydrophobicContact CD2-CB 4.26Å; F12-L30 HydrophobicContact CD2-CD2 3.69Å; F12-L30 HydrophobicContact CD2-CG 3.58Å; F12-L30 HydrophobicContact CE2-CB 4.03Å; F12-L30 HydrophobicContact CE2-CD2 3.7Å; F12-L30 HydrophobicContact CE2-CG 3.77Å; F12-L30 HydrophobicContact CG-CD2 4.2Å; F12-L30 HydrophobicContact CG-CG 4.41Å; F12-L30 HydrophobicContact CZ-CD2 4.24Å; F12-H31 HydrophobicContact CD2-CB 4.44Å; F12-H31 HydrophobicContact CE2-CB 4.1Å; F12-L47 HydrophobicContact CE2-CD1 4.22Å; F12-L47 HydrophobicContact CZ-CD1 4.18Å; F12-F50 HydrophobicContact CB-CE1 3.78Å; F12-F50 HydrophobicContact CB-CZ 4.18Å; F12-F50 HydrophobicContact CD1-CE1 4.21Å; F12-F50 AromaticContact CD2-CE1 3.9Å; F12-F50 HydrophobicContact CD2-CE1 3.9Å; F12-F50 AromaticContact CG-CE1 3.7Å; F12-F50 HydrophobicContact CG-CE1 3.7Å; F12-I51 HydrophobicContact CE1-CG1 4.38Å; F12-I54 HydrophobicContact CB-CD1 4.37Å; F12-I54 HydrophobicContact CD1-CD1 3.77Å; F12-I54 HydrophobicContact CE1-CD1 4.49Å; F12-I54 HydrophobicContact CG-CD1 4.34Å; F12-I65 HydrophobicContact CD1-CD1 4.21Å; F12-I65 HydrophobicContact CE1-CD1 3.99Å
13L95.3Very high91.2Very high27 Ų2761.7 Ų61.714%0.14131%0.313CS..Hα-helixtrans-61-43.2178.9-178.962.3000112.6H9 K10 T15 M16 M17 I54 L58 I65 L80H9-L13 WeakPolarHBondContact O-CB 3.16Å; H9-L13 PolarHBondContact O-N 3.11Å; K10-L13 PolarHBondContact O-N 3.4Å; L13-T15 VanDerWaalsContact C-N 3.31Å; L13-T15 PolarHBondContact O-N 2.9Å; L13-M16 WeakPolarHBondContact O-CB 3.39Å; L13-M16 PolarHBondContact O-N 2.98Å; L13-M17 HydrophobicContact CD1-CG 4.5Å; L13-M17 HydrophobicContact CG-SD 4.33Å; L13-M17 WeakPolarHBondContact O-CG 3.47Å; L13-M17 PolarHBondContact O-N 3.49Å; L13-I54 HydrophobicContact CD1-CG2 4.45Å; L13-L58 HydrophobicContact CD1-CD1 4.02Å; L13-L58 HydrophobicContact CD2-CD1 4.5Å; L13-L58 HydrophobicContact CD2-CD2 3.88Å; L13-I65 HydrophobicContact CD1-CD1 4.26Å; L13-L80 HydrophobicContact CD1-CD1 4.15Å; L13-L80 HydrophobicContact CD1-CD2 4.01Å
14Q94.8Very high92.1Very high110 Ų11053 Ų5351%0.51428%0.282SS..Hα-helixtrans-57.5-45.4175.3-75.1172-14.800111.7K10 R11 F12 M16 M17 V18K10-Q14 VanDerWaalsContact O-CG 3.3Å; K10-Q14 WeakPolarHBondContact O-CG 3.25Å; K10-Q14 PolarHBondContact O-N 2.98Å; R11-Q14 PolarHBondContact O-N 3.27Å; F12-Q14 PolarHBondContact O-N 2.95Å; Q14-M16 VanDerWaalsContact C-N 3.34Å; Q14-M16 PolarHBondContact O-N 3.22Å; Q14-M17 PolarHBondContact O-N 3.43Å; Q14-V18 WeakPolarHBondContact O-CG2 3.43Å; Q14-V18 PolarHBondContact O-N 3.25Å
15T94.2Very high92.7Very high37 Ų3750 Ų5023%0.22727%0.266CS..Hα-helixtrans-64.4-40.5177.6-51.80000111.2R11 F12 L13 M17 V18 N19 L30R11-T15 PolarHBondContact O-N 2.87Å; R11-T15 PolarHBondContact O-OG1 3.36Å; F12-T15 PolarHBondContact O-N 3.49Å; L13-T15 VanDerWaalsContact C-N 3.31Å; L13-T15 PolarHBondContact O-N 2.9Å; T15-M17 VanDerWaalsContact C-N 3.34Å; T15-M17 PolarHBondContact O-N 2.87Å; T15-V18 PolarHBondContact O-N 2.95Å; T15-N19 PolarHBondContact O-N 3.1Å; T15-N19 VanDerWaalsContact O-N 3.16Å; T15-N19 PolarHBondContact O-ND2 3.23Å; T15-L30 HydrophobicContact CG2-CD1 3.75Å; T15-L30 HydrophobicContact CG2-CD2 3.71Å; T15-L30 HydrophobicContact CG2-CG 4.39Å
16M93.1Very high93Very high0 Ų054.3 Ų54.30%028%0.283CS..Hα-helixtrans-59.3-43.6174.8-72.2-63.4-66.400112.1F12 L13 Q14 V18 N19 G20 I22 I65 H78F12-M16 HydrophobicContact CD1-CG 3.83Å; F12-M16 HydrophobicContact CE1-CG 3.6Å; F12-M16 HydrophobicContact CE1-SD 4.05Å; F12-M16 HydrophobicContact CZ-CG 4.35Å; F12-M16 HydrophobicContact CZ-SD 4.3Å; F12-M16 WeakPolarHBondContact O-CG 3.42Å; F12-M16 PolarHBondContact O-N 2.98Å; L13-M16 WeakPolarHBondContact O-CB 3.39Å; L13-M16 PolarHBondContact O-N 2.98Å; Q14-M16 VanDerWaalsContact C-N 3.34Å; Q14-M16 PolarHBondContact O-N 3.22Å; M16-V18 VanDerWaalsContact C-N 3.34Å; M16-V18 PolarHBondContact O-N 2.88Å; M16-N19 PolarHBondContact O-N 3.12Å; M16-G20 PolarHBondContact O-N 3Å; M16-I22 HydrophobicContact CE-CD1 4.42Å; M16-I22 HydrophobicContact CE-CG1 4.13Å; M16-I22 HydrophobicContact SD-CD1 3.25Å; M16-I22 WeakPolarHBondContact SD-CD1 3.39Å; M16-I22 HydrophobicContact SD-CG1 3.55Å; M16-I22 VanDerWaalsContact SD-CG1 3.55Å; M16-I65 HydrophobicContact CE-CG2 4.05Å; M16-I65 HydrophobicContact CG-CD1 4.3Å; M16-H78 HydrophobicContact CE-CB 3.87Å; M16-H78 WeakPolarHBondContact CE-O 3.46Å
17M89.6Confident93.2Very high115 Ų11552.9 Ų52.957%0.56727%0.268SS*.Hα-helixtrans-63.8-37.6-179.9-69.9174.773.800112.8L13 Q14 T15 L80L13-M17 HydrophobicContact CD1-CG 4.5Å; L13-M17 HydrophobicContact CG-SD 4.33Å; L13-M17 WeakPolarHBondContact O-CG 3.47Å; L13-M17 PolarHBondContact O-N 3.49Å; Q14-M17 PolarHBondContact O-N 3.43Å; T15-M17 VanDerWaalsContact C-N 3.34Å; T15-M17 PolarHBondContact O-N 2.87Å; M17-L80 HydrophobicContact CG-CD2 3.64Å
18V89.3Confident93.2Very high128 Ų12852.9 Ų52.978%0.77626%0.264SS*.Hα-helixtrans-71-39178.8173.10000111.9Q14 T15 M16Q14-V18 WeakPolarHBondContact O-CG2 3.43Å; Q14-V18 PolarHBondContact O-N 3.25Å; T15-V18 PolarHBondContact O-N 2.95Å; M16-V18 VanDerWaalsContact C-N 3.34Å; M16-V18 PolarHBondContact O-N 2.88Å
19N88.5Confident93.2Very high90 Ų9055.5 Ų55.548%0.48129%0.286SS..Hα-helixtrans-84.7-23.5-177-71.3-90.9000112.9T15 M16 I21 I22T15-N19 PolarHBondContact O-N 3.1Å; T15-N19 VanDerWaalsContact O-N 3.16Å; T15-N19 PolarHBondContact O-ND2 3.23Å; M16-N19 PolarHBondContact O-N 3.12Å; N19-I21 PolarHBondContact O-N 3.49Å; N19-I22 HydrophobicContact CB-CG2 3.61Å
20G85.9Confident93.2Very high7 Ų755.3 Ų55.37%0.07229%0.285CS..SBendtrans75.3-54.7-175.100000113M16M16-G20 PolarHBondContact O-N 3Å
21I92.3Very high93.3Very high30 Ų3051.3 Ų51.315%0.15427%0.268CS..EExtended strand (participates in β ladder)trans-141.4140178.2-171.9164.8000110.3N19 Y77 H78 A79 T164 R165 M168N19-I21 PolarHBondContact O-N 3.49Å; I21-Y77 HydrophobicContact CD1-CD1 4.16Å; I21-Y77 HydrophobicContact CD1-CG 4.1Å; I21-Y77 HydrophobicContact CG1-CD1 3.94Å; I21-Y77 HydrophobicContact CG1-CG 4.24Å; I21-H78 WeakPolarHBondContact CA-O 3.47Å; I21-A79 HydrophobicContact CB-CB 4.22Å; I21-A79 HydrophobicContact CD1-CB 4.38Å; I21-A79 HydrophobicContact CG1-CB 4.12Å; I21-T164 HydrophobicContact CD1-CG2 4.22Å; I21-R165 HydrophobicContact CB-CB 4.2Å; I21-R165 HydrophobicContact CD1-CB 3.8Å; I21-R165 HydrophobicContact CG2-CB 4.16Å; I21-M168 HydrophobicContact CD1-SD 4.33Å
22I94.3Very high93.3Very high12 Ų1250.8 Ų50.86%0.06227%0.266CS..EExtended strand (participates in β ladder)trans-134.9145.6175.464174.2000111.1M16 N19 K26 A27 L30 Y77 H78M16-I22 HydrophobicContact CE-CD1 4.42Å; M16-I22 HydrophobicContact CE-CG1 4.13Å; M16-I22 HydrophobicContact SD-CD1 3.25Å; M16-I22 WeakPolarHBondContact SD-CD1 3.39Å; M16-I22 HydrophobicContact SD-CG1 3.55Å; M16-I22 VanDerWaalsContact SD-CG1 3.55Å; N19-I22 HydrophobicContact CB-CG2 3.61Å; I22-K26 HydrophobicContact CB-CB 4.31Å; I22-A27 HydrophobicContact CD1-CB 3.74Å; I22-A27 HydrophobicContact CG1-CB 4.13Å; I22-L30 HydrophobicContact CD1-CD2 4Å; I22-Y77 CarbonylContact O-C 3.5Å; I22-Y77 WeakPolarHBondContact O-CA 3.4Å; I22-H78 HydrophobicContact CG1-CB 4.32Å; I22-H78 PolarHBondContact N-O 2.75Å; I22-H78 PolarHBondContact O-N 3.37Å
23D93.9Very high93.3Very high31 Ų3155.3 Ų55.317%0.16629%0.287CS..EExtended strand (participates in β ladder)trans-67.5159.6173.965.475.6000111.6A25 K26 A27 Y77D23-A25 VanDerWaalsContact C-N 3.27Å; D23-A25 PolarHBondContact O-N 2.88Å; D23-A25 WeakPolarHBondContact OD1-CA 3.48Å; D23-A25 WeakPolarHBondContact OD1-CB 3.38Å; D23-A25 PolarHBondContact OD1-N 3.47Å; D23-K26 PolarHBondContact O-N 3.31Å; D23-K26 PolarHBondContact OD1-N 2.92Å; D23-K26 WeakPolarHBondContact OD2-CD 3.46Å; D23-K26 WeakPolarHBondContact OD2-CE 3.45Å; D23-K26 VanDerWaalsContact OD2-CG 3.25Å; D23-K26 WeakPolarHBondContact OD2-CG 3.31Å; D23-K26 IonicContact OD2-NZ 2.75Å; D23-K26 PolarHBondContact OD2-NZ 3.02Å; D23-A27 PolarHBondContact O-N 2.82Å; D23-Y77 HydrophobicContact CB-CD1 4Å; D23-Y77 HydrophobicContact CB-CE1 3.75Å
24G92.5Very high93.3Very high6 Ų654 Ų546%0.06228%0.28CS..Hα-helixtrans-63.9-27.6-175.800000114.3R28 Q76G24-R28 WeakPolarHBondContact O-CG 3.5Å; G24-R28 PolarHBondContact O-N 2.92Å; G24-R28 VanDerWaalsContact O-N 3.13Å; G24-R28 PolarHBondContact O-NH1 3.11Å; G24-Q76 PolarHBondContact N-O 2.93Å
25A92.4Very high93.2Very high46 Ų4648.8 Ų48.838%0.3826%0.256SS..Hα-helixtrans-71.7-44.8175.800000110.6D23 A27 R28 A29D23-A25 VanDerWaalsContact C-N 3.27Å; D23-A25 PolarHBondContact O-N 2.88Å; D23-A25 WeakPolarHBondContact OD1-CA 3.48Å; D23-A25 WeakPolarHBondContact OD1-CB 3.38Å; D23-A25 PolarHBondContact OD1-N 3.47Å; A25-A27 VanDerWaalsContact C-N 3.34Å; A25-A27 PolarHBondContact O-N 2.98Å; A25-R28 PolarHBondContact O-N 2.8Å; A25-A29 PolarHBondContact O-N 3.1Å
26K94.1Very high93.2Very high131 Ų13153 Ų5357%0.5727%0.273SS*.Hα-helixtrans-61.7-39.6172-72.8-178.4-164.5144.80112.2I22 D23 R28 A29 L30I22-K26 HydrophobicContact CB-CB 4.31Å; D23-K26 PolarHBondContact O-N 3.31Å; D23-K26 PolarHBondContact OD1-N 2.92Å; D23-K26 WeakPolarHBondContact OD2-CD 3.46Å; D23-K26 WeakPolarHBondContact OD2-CE 3.45Å; D23-K26 VanDerWaalsContact OD2-CG 3.25Å; D23-K26 WeakPolarHBondContact OD2-CG 3.31Å; D23-K26 IonicContact OD2-NZ 2.75Å; D23-K26 PolarHBondContact OD2-NZ 3.02Å; K26-R28 PolarHBondContact O-N 3.19Å; K26-A29 PolarHBondContact O-N 3.17Å; K26-L30 VanDerWaalsContact O-CB 3.25Å; K26-L30 WeakPolarHBondContact O-CB 3.36Å; K26-L30 PolarHBondContact O-N 2.9Å
27A95.4Very high93.3Very high0 Ų057 Ų570%030%0.297CS..Hα-helixtrans-61.1-43.4176.100000112.2I22 D23 A25 L30 H31 L47I22-A27 HydrophobicContact CD1-CB 3.74Å; I22-A27 HydrophobicContact CG1-CB 4.13Å; D23-A27 PolarHBondContact O-N 2.82Å; A25-A27 VanDerWaalsContact C-N 3.34Å; A25-A27 PolarHBondContact O-N 2.98Å; A27-L30 PolarHBondContact O-N 2.86Å; A27-H31 WeakPolarHBondContact O-CB 3.44Å; A27-H31 PolarHBondContact O-N 2.92Å; A27-L47 HydrophobicContact CB-CD2 3.99Å
28R94.9Very high93.4Very high103 Ų10355.4 Ų55.439%0.38929%0.289SS..Hα-helixtrans-65.1-42.7174.6-73.9-173.4-64.8-84.82.4112.4G24 A25 K26 L30 H31 R32 L47G24-R28 WeakPolarHBondContact O-CG 3.5Å; G24-R28 PolarHBondContact O-N 2.92Å; G24-R28 VanDerWaalsContact O-N 3.13Å; G24-R28 PolarHBondContact O-NH1 3.11Å; A25-R28 PolarHBondContact O-N 2.8Å; K26-R28 PolarHBondContact O-N 3.19Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-H31 PolarHBondContact O-N 3.46Å; R28-R32 PolarHBondContact O-N 3.32Å; R28-L47 HydrophobicContact CG-CD2 3.77Å
29A95.3Very high93.4Very high59 Ų5952.8 Ų52.849%0.48829%0.288SS..Hα-helixtrans-63.2-41.2176.300000111.8A25 K26 R32 H33A25-A29 PolarHBondContact O-N 3.1Å; K26-A29 PolarHBondContact O-N 3.17Å; A29-R32 WeakPolarHBondContact O-CB 3.27Å; A29-R32 PolarHBondContact O-N 3.05Å; A29-H33 WeakPolarHBondContact O-CB 3.5Å; A29-H33 PolarHBondContact O-N 2.84Å
30L95.6Very high93.4Very high21 Ų2150.3 Ų50.311%0.1128%0.279CS..Hα-helixtrans-64.5-44176.3-18061.4000111.5F12 T15 I22 K26 A27 R28 R32 H33 C34F12-L30 HydrophobicContact CD2-CB 4.26Å; F12-L30 HydrophobicContact CD2-CD2 3.69Å; F12-L30 HydrophobicContact CD2-CG 3.58Å; F12-L30 HydrophobicContact CE2-CB 4.03Å; F12-L30 HydrophobicContact CE2-CD2 3.7Å; F12-L30 HydrophobicContact CE2-CG 3.77Å; F12-L30 HydrophobicContact CG-CD2 4.2Å; F12-L30 HydrophobicContact CG-CG 4.41Å; F12-L30 HydrophobicContact CZ-CD2 4.24Å; T15-L30 HydrophobicContact CG2-CD1 3.75Å; T15-L30 HydrophobicContact CG2-CD2 3.71Å; T15-L30 HydrophobicContact CG2-CG 4.39Å; I22-L30 HydrophobicContact CD1-CD2 4Å; K26-L30 VanDerWaalsContact O-CB 3.25Å; K26-L30 WeakPolarHBondContact O-CB 3.36Å; K26-L30 PolarHBondContact O-N 2.9Å; A27-L30 PolarHBondContact O-N 2.86Å; R28-L30 VanDerWaalsContact C-N 3.34Å; L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 2.72Å; L30-H33 PolarHBondContact O-N 3.31Å; L30-C34 WeakPolarHBondContact O-CB 3.48Å; L30-C34 PolarHBondContact O-N 3.01Å; L30-C34 PolarHBondContact O-SG 2.93Å
31H95.9Very high93.5Very high4 Ų458 Ų582%0.01931%0.313CS..Hα-helixtrans-57.9-46.3174.8168.6-136.1000111.7F12 A27 R28 C34 C35 Y42 A43 L47 F50F12-H31 HydrophobicContact CD2-CB 4.44Å; F12-H31 HydrophobicContact CE2-CB 4.1Å; A27-H31 WeakPolarHBondContact O-CB 3.44Å; A27-H31 PolarHBondContact O-N 2.92Å; R28-H31 PolarHBondContact O-N 3.46Å; H31-C34 PolarHBondContact O-N 3.19Å; H31-C35 VanDerWaalsContact CD2-SG 3.56Å; H31-C35 WeakPolarHBondContact O-CB 3.49Å; H31-C35 PolarHBondContact O-N 2.96Å; H31-C35 PolarHBondContact O-SG 3.16Å; H31-C35 VanDerWaalsContact O-SG 3.4Å; H31-Y42 AromaticContact CE1-CD2 3.77Å; H31-Y42 AromaticContact CE1-CE2 3.98Å; H31-Y42 AromaticContact ND1-CD2 3.93Å; H31-Y42 AromaticContact ND1-CE2 3.75Å; H31-A43 PolarHBondContact CE1-O 3.4Å; H31-L47 HydrophobicContact CB-CD1 3.61Å; H31-F50 AromaticContact CD2-CD1 3.91Å; H31-F50 AromaticContact CD2-CD2 3.58Å; H31-F50 AromaticContact CD2-CE2 3.88Å; H31-F50 AromaticContact CD2-CG 3.6Å; H31-F50 AromaticContact NE2-CD2 3.57Å; H31-F50 AromaticContact NE2-CG 3.74Å
32R95.8Very high93.4Very high109 Ų10959.3 Ų59.341%0.41132%0.316SS..Hα-helixtrans-55.9-54173.6-175-175.9-58.5-1494.9111.5R28 A29 L30 C34 C35 E36 Y42R28-R32 PolarHBondContact O-N 3.32Å; A29-R32 WeakPolarHBondContact O-CB 3.27Å; A29-R32 PolarHBondContact O-N 3.05Å; L30-R32 VanDerWaalsContact C-N 3.34Å; L30-R32 PolarHBondContact O-N 2.72Å; R32-C34 PolarHBondContact O-N 3.13Å; R32-C35 PolarHBondContact O-N 3.43Å; R32-E36 WeakPolarHBondContact CD-OE1 3.35Å; R32-E36 HydrophobicContact CG-CG 4.32Å; R32-E36 WeakPolarHBondContact CG-OE1 3.42Å; R32-E36 WeakPolarHBondContact O-CG 3.4Å; R32-E36 PolarHBondContact O-N 3.44Å; R32-Y42 VanDerWaalsContact CA-CE2 3.45Å; R32-Y42 HydrophobicContact CB-CD2 4.07Å; R32-Y42 HydrophobicContact CB-CE1 4.39Å; R32-Y42 HydrophobicContact CB-CE2 3.52Å; R32-Y42 HydrophobicContact CG-CD1 4.31Å; R32-Y42 HydrophobicContact CG-CD2 4.33Å; R32-Y42 HydrophobicContact CG-CE1 3.96Å; R32-Y42 HydrophobicContact CG-CE2 3.98Å; R32-Y42 HydrophobicContact CG-CG 4.48Å; R32-Y42 PolarHBondContact NE-OH 3.43Å; R32-Y42 VanDerWaalsContact NE-OH 3.08Å; R32-Y42 PolarHBondContact NH2-OH 3.34Å
33H95.6Very high93.2Very high95 Ų9559.7 Ų59.744%0.4432%0.321SS..Hα-helixtrans-58.7-44.4-177.6177.460.8000112.7A29 L30 C35 T37A29-H33 WeakPolarHBondContact O-CB 3.5Å; A29-H33 PolarHBondContact O-N 2.84Å; L30-H33 PolarHBondContact O-N 3.31Å; H33-C35 PolarHBondContact O-N 3.41Å; H33-T37 PolarHBondContact CE1-OG1 3.27Å; H33-T37 VanDerWaalsContact O-CB 3.3Å; H33-T37 WeakPolarHBondContact O-CB 3.36Å; H33-T37 PolarHBondContact O-N 2.86Å; H33-T37 PolarHBondContact O-OG1 3.12Å
34C95.1Very high92.9Very high0 Ų063.4 Ų63.40%034%0.337CS..Hα-helixtrans-64.9-39178.4-710000112.3S8 L30 H31 R32 H38S8-C34 WeakPolarHBondContact CB-O 3.49Å; S8-C34 WeakPolarHBondContact O-CB 3.39Å; L30-C34 WeakPolarHBondContact O-CB 3.48Å; L30-C34 PolarHBondContact O-N 3.01Å; L30-C34 PolarHBondContact O-SG 2.93Å; H31-C34 PolarHBondContact O-N 3.19Å; R32-C34 PolarHBondContact O-N 3.13Å; C34-H38 PolarHBondContact O-CD2 3.45Å; C34-H38 PolarHBondContact O-N 3.22Å
35C94Very high92.7Very high1 Ų169.1 Ų69.11%0.00737%0.366CS..Hα-helixtrans-70.5-45178.3-71.90000112.1H31 R32 H33 T37 H38 G39 A40 Y42H31-C35 VanDerWaalsContact CD2-SG 3.56Å; H31-C35 WeakPolarHBondContact O-CB 3.49Å; H31-C35 PolarHBondContact O-N 2.96Å; H31-C35 PolarHBondContact O-SG 3.16Å; H31-C35 VanDerWaalsContact O-SG 3.4Å; R32-C35 PolarHBondContact O-N 3.43Å; H33-C35 PolarHBondContact O-N 3.41Å; C35-T37 PolarHBondContact O-N 3.15Å; C35-H38 PolarHBondContact O-N 3.14Å; C35-G39 PolarHBondContact O-N 3.16Å; C35-A40 HydrophobicContact CB-CB 4.2Å; C35-A40 PolarHBondContact O-N 3.49Å; C35-Y42 HydrophobicContact CB-CD2 4.43Å; C35-Y42 HydrophobicContact CB-CG 4.5Å
36E94.3Very high92.8Very high126 Ų12670.4 Ų70.459%0.58936%0.363SS*.Hα-helixtrans-60.9-44.1176.8-72171.1175.300111.9R32 H38 G39R32-E36 WeakPolarHBondContact CD-OE1 3.35Å; R32-E36 HydrophobicContact CG-CG 4.32Å; R32-E36 WeakPolarHBondContact CG-OE1 3.42Å; R32-E36 WeakPolarHBondContact O-CG 3.4Å; R32-E36 PolarHBondContact O-N 3.44Å; E36-H38 VanDerWaalsContact C-N 3.28Å; E36-H38 PolarHBondContact O-N 3.39Å; E36-G39 PolarHBondContact O-N 3.21Å
37T94.4Very high92.8Very high82 Ų8264.6 Ų64.650%0.50334%0.339SS..Hα-helixtrans-64-32.9-178.3-58.20000112.8H33 C35H33-T37 PolarHBondContact CE1-OG1 3.27Å; H33-T37 VanDerWaalsContact O-CB 3.3Å; H33-T37 WeakPolarHBondContact O-CB 3.36Å; H33-T37 PolarHBondContact O-N 2.86Å; H33-T37 PolarHBondContact O-OG1 3.12Å; C35-T37 PolarHBondContact O-N 3.15Å
38H92.5Very high92.8Very high83 Ų8368.1 Ų68.138%0.38436%0.357SS..THydrogen-bonded Turntrans-110.412.2-175.2-66.2-74.9000113.6E7 C34 C35 E36 A40E7-H38 HydrophobicContact CB-CB 4.4Å; C34-H38 PolarHBondContact O-CD2 3.45Å; C34-H38 PolarHBondContact O-N 3.22Å; C35-H38 PolarHBondContact O-N 3.14Å; E36-H38 VanDerWaalsContact C-N 3.28Å; E36-H38 PolarHBondContact O-N 3.39Å; H38-A40 PolarHBondContact O-N 3.41Å
39G87.8Confident92.7Very high73 Ų7368 Ų6875%0.75336%0.361SS*.THydrogen-bonded Turntrans62.125.6178.500000114.3C35 E36C35-G39 PolarHBondContact O-N 3.16Å; E36-G39 PolarHBondContact O-N 3.21Å
40A89.1Confident92.7Very high37 Ų3766 Ų6631%0.30634%0.342SS..  trans-84.3152177.600000110.9C35 H38 Y42C35-A40 HydrophobicContact CB-CB 4.2Å; C35-A40 PolarHBondContact O-N 3.49Å; H38-A40 PolarHBondContact O-N 3.41Å; A40-Y42 PolarHBondContact O-N 3.06Å
41H87.3Confident92.7Very high169 Ų16965.5 Ų65.578%0.78234%0.339SS*.  trans-62.6120.8174.9176.9-82.3000110.7
42Y91.6Very high92.7Very high58 Ų5871.2 Ų71.223%0.22737%0.366CS..  trans-107.1133.9176.1169.2-104000111H31 R32 C35 A40 H44H31-Y42 AromaticContact CE1-CD2 3.77Å; H31-Y42 AromaticContact CE1-CE2 3.98Å; H31-Y42 AromaticContact ND1-CD2 3.93Å; H31-Y42 AromaticContact ND1-CE2 3.75Å; R32-Y42 VanDerWaalsContact CA-CE2 3.45Å; R32-Y42 HydrophobicContact CB-CD2 4.07Å; R32-Y42 HydrophobicContact CB-CE1 4.39Å; R32-Y42 HydrophobicContact CB-CE2 3.52Å; R32-Y42 HydrophobicContact CG-CD1 4.31Å; R32-Y42 HydrophobicContact CG-CD2 4.33Å; R32-Y42 HydrophobicContact CG-CE1 3.96Å; R32-Y42 HydrophobicContact CG-CE2 3.98Å; R32-Y42 HydrophobicContact CG-CG 4.48Å; R32-Y42 PolarHBondContact NE-OH 3.43Å; R32-Y42 VanDerWaalsContact NE-OH 3.08Å; R32-Y42 PolarHBondContact NH2-OH 3.34Å; C35-Y42 HydrophobicContact CB-CD2 4.43Å; C35-Y42 HydrophobicContact CB-CG 4.5Å; A40-Y42 PolarHBondContact O-N 3.06Å; Y42-H44 PolarHBondContact OH-CD2 3.03Å
43A90.1Very high92.7Very high20 Ų2067.1 Ų67.117%0.16535%0.353CS..  trans-137137.2166.200000109.3H31 D45 K46H31-A43 PolarHBondContact CE1-O 3.4Å; A43-D45 VanDerWaalsContact C-N 3.28Å; A43-D45 PolarHBondContact O-N 2.96Å; A43-K46 HydrophobicContact CB-CB 3.96Å; A43-K46 HydrophobicContact CB-CG 3.49Å; A43-K46 VanDerWaalsContact CB-CG 3.49Å; A43-K46 PolarHBondContact O-N 2.65Å
44H86.1Confident92.7Very high108 Ų10862.6 Ų62.650%0.533%0.332SS..THydrogen-bonded Turntrans-65.1-30.8-168.8-178.9-88.8000113.5Y42Y42-H44 PolarHBondContact OH-CD2 3.03Å
45D90.3Very high92.7Very high126 Ų12663.6 Ų63.667%0.67434%0.337SS*.THydrogen-bonded Turntrans-91.3-2-179.461.9-35.5000113.6A43A43-D45 VanDerWaalsContact C-N 3.28Å; A43-D45 PolarHBondContact O-N 2.96Å
46K93.1Very high92.8Very high73 Ų7365.8 Ų65.832%0.31736%0.356SS..  trans-100.517.9-172.4-63-63.1-169.2159.70115A43 D48 E49 F50A43-K46 HydrophobicContact CB-CB 3.96Å; A43-K46 HydrophobicContact CB-CG 3.49Å; A43-K46 VanDerWaalsContact CB-CG 3.49Å; A43-K46 PolarHBondContact O-N 2.65Å; K46-D48 PolarHBondContact O-N 3.48Å; K46-E49 VanDerWaalsContact CD-CD 3.45Å; K46-E49 HydrophobicContact CD-CG 4.43Å; K46-E49 WeakPolarHBondContact CD-OE1 3.41Å; K46-E49 VanDerWaalsContact CD-OE2 3.31Å; K46-E49 WeakPolarHBondContact CD-OE2 3.37Å; K46-E49 IonicContact NZ-OE1 2.71Å; K46-E49 PolarHBondContact NZ-OE1 3.36Å; K46-E49 IonicContact NZ-OE2 3.25Å; K46-E49 PolarHBondContact NZ-OE2 3.11Å; K46-F50 WeakPolarHBondContact O-CB 3.25Å; K46-F50 PolarHBondContact O-N 3.39Å
47L94.3Very high92.8Very high10 Ų1062.6 Ų62.65%0.05234%0.341CS..Hα-helixtrans-58.9-38.4176.3176.163.1000111.8F12 A27 R28 H31 F50 I51F12-L47 HydrophobicContact CE2-CD1 4.22Å; F12-L47 HydrophobicContact CZ-CD1 4.18Å; A27-L47 HydrophobicContact CB-CD2 3.99Å; R28-L47 HydrophobicContact CG-CD2 3.77Å; H31-L47 HydrophobicContact CB-CD1 3.61Å; L47-F50 WeakPolarHBondContact O-CB 3.47Å; L47-F50 PolarHBondContact O-N 3.36Å; L47-I51 HydrophobicContact CD1-CD1 3.88Å; L47-I51 HydrophobicContact CD1-CG1 4.16Å; L47-I51 HydrophobicContact CD2-CD1 4.46Å; L47-I51 HydrophobicContact CG-CD1 3.87Å; L47-I51 HydrophobicContact CG-CG1 4.47Å; L47-I51 WeakPolarHBondContact O-CG1 3.5Å; L47-I51 PolarHBondContact O-N 2.84Å
48D94.8Very high92.7Very high73 Ų7359.3 Ų59.339%0.3932%0.32SS..Hα-helixtrans-69.8-47.8-174.9-66.4-3.7000111.2K46 F50 I51 E52 K67K46-D48 PolarHBondContact O-N 3.48Å; D48-F50 VanDerWaalsContact C-N 3.25Å; D48-F50 PolarHBondContact O-N 3.3Å; D48-I51 PolarHBondContact O-N 2.96Å; D48-I51 VanDerWaalsContact O-N 3.11Å; D48-E52 WeakPolarHBondContact O-CG 3.34Å; D48-E52 PolarHBondContact O-N 3.01Å; D48-K67 WeakPolarHBondContact OD1-CE 3.32Å; D48-K67 IonicContact OD1-NZ 2.79Å; D48-K67 PolarHBondContact OD1-NZ 2.87Å; D48-K67 IonicContact OD2-NZ 2.88Å; D48-K67 PolarHBondContact OD2-NZ 3.19Å
49E94.7Very high92.7Very high101 Ų10160.2 Ų60.247%0.47232%0.324SS..Hα-helixtrans-59.2-37.4172.9-71.2173.4-145.500111.8K46 E52 V53K46-E49 VanDerWaalsContact CD-CD 3.45Å; K46-E49 HydrophobicContact CD-CG 4.43Å; K46-E49 WeakPolarHBondContact CD-OE1 3.41Å; K46-E49 VanDerWaalsContact CD-OE2 3.31Å; K46-E49 WeakPolarHBondContact CD-OE2 3.37Å; K46-E49 IonicContact NZ-OE1 2.71Å; K46-E49 PolarHBondContact NZ-OE1 3.36Å; K46-E49 IonicContact NZ-OE2 3.25Å; K46-E49 PolarHBondContact NZ-OE2 3.11Å; E49-E52 PolarHBondContact O-N 3.45Å; E49-V53 WeakPolarHBondContact O-CG2 3.24Å; E49-V53 PolarHBondContact O-N 2.84Å
50F94.9Very high92.9Very high16 Ų1661.6 Ų61.67%0.0732%0.32CS..Hα-helixtrans-64.2-43175-176.7-87.9000112H9 F12 H31 K46 L47 D48 V53 I54H9-F50 HydrophobicContact CB-CZ 4.21Å; H9-F50 AromaticContact CD2-CD2 3.6Å; H9-F50 AromaticContact CD2-CE1 3.85Å; H9-F50 AromaticContact CD2-CE2 3.32Å; H9-F50 WeakPolarHBondContact CD2-CE2 3.27Å; H9-F50 AromaticContact CD2-CG 3.98Å; H9-F50 AromaticContact CD2-CZ 3.47Å; H9-F50 VanDerWaalsContact CD2-CZ 3.47Å; H9-F50 WeakPolarHBondContact CD2-CZ 3.3Å; H9-F50 AromaticContact CE1-CE2 3.95Å; H9-F50 AromaticContact CG-CE2 3.85Å; H9-F50 AromaticContact CG-CZ 3.81Å; H9-F50 AromaticContact NE2-CD2 3.45Å; H9-F50 WeakPolarHBondContact NE2-CD2 3.42Å; H9-F50 AromaticContact NE2-CE2 3.43Å; H9-F50 WeakPolarHBondContact NE2-CE2 3.45Å; F12-F50 HydrophobicContact CB-CE1 3.78Å; F12-F50 HydrophobicContact CB-CZ 4.18Å; F12-F50 HydrophobicContact CD1-CE1 4.21Å; F12-F50 AromaticContact CD2-CE1 3.9Å; F12-F50 HydrophobicContact CD2-CE1 3.9Å; F12-F50 AromaticContact CG-CE1 3.7Å; F12-F50 HydrophobicContact CG-CE1 3.7Å; H31-F50 AromaticContact CD2-CD1 3.91Å; H31-F50 AromaticContact CD2-CD2 3.58Å; H31-F50 AromaticContact CD2-CE2 3.88Å; H31-F50 AromaticContact CD2-CG 3.6Å; H31-F50 AromaticContact NE2-CD2 3.57Å; H31-F50 AromaticContact NE2-CG 3.74Å; K46-F50 WeakPolarHBondContact O-CB 3.25Å; K46-F50 PolarHBondContact O-N 3.39Å; L47-F50 WeakPolarHBondContact O-CB 3.47Å; L47-F50 PolarHBondContact O-N 3.36Å; D48-F50 VanDerWaalsContact C-N 3.25Å; D48-F50 PolarHBondContact O-N 3.3Å; F50-V53 PolarHBondContact O-N 2.95Å; F50-I54 HydrophobicContact CD1-CD1 4.01Å; F50-I54 HydrophobicContact CE1-CD1 3.68Å; F50-I54 PolarHBondContact O-N 3.28Å
51I95.7Very high92.9Very high11 Ų1165.2 Ų65.26%0.05633%0.332CS..Hα-helixtrans-68.1-38176.1-72.1171.6000111.3F12 L47 D48 V53 I54 N55 I65F12-I51 HydrophobicContact CE1-CG1 4.38Å; L47-I51 HydrophobicContact CD1-CD1 3.88Å; L47-I51 HydrophobicContact CD1-CG1 4.16Å; L47-I51 HydrophobicContact CD2-CD1 4.46Å; L47-I51 HydrophobicContact CG-CD1 3.87Å; L47-I51 HydrophobicContact CG-CG1 4.47Å; L47-I51 WeakPolarHBondContact O-CG1 3.5Å; L47-I51 PolarHBondContact O-N 2.84Å; D48-I51 PolarHBondContact O-N 2.96Å; D48-I51 VanDerWaalsContact O-N 3.11Å; I51-V53 VanDerWaalsContact C-N 3.3Å; I51-V53 PolarHBondContact O-N 3.06Å; I51-I54 WeakPolarHBondContact O-CB 3.33Å; I51-I54 PolarHBondContact O-N 2.96Å; I51-I54 VanDerWaalsContact O-N 3.07Å; I51-N55 WeakPolarHBondContact CG2-ND2 3.34Å; I51-N55 WeakPolarHBondContact O-CB 3.5Å; I51-N55 PolarHBondContact O-N 2.97Å; I51-I65 HydrophobicContact CD1-CG2 4.29Å; I51-I65 HydrophobicContact CG2-CB 3.91Å; I51-I65 HydrophobicContact CG2-CG2 4.07Å
52E95.6Very high93Very high125 Ų12563.5 Ų63.558%0.58432%0.322SS*.Hα-helixtrans-59.8-39.8176.7-76.1173.2-177.500112.1D48 E49 I54 N55 A56D48-E52 WeakPolarHBondContact O-CG 3.34Å; D48-E52 PolarHBondContact O-N 3.01Å; E49-E52 PolarHBondContact O-N 3.45Å; E52-I54 VanDerWaalsContact C-N 3.31Å; E52-I54 PolarHBondContact O-N 2.96Å; E52-N55 PolarHBondContact O-N 3.15Å; E52-A56 WeakPolarHBondContact O-CB 3.34Å; E52-A56 PolarHBondContact O-N 3.05Å
53V95.4Very high93Very high23 Ų2362.5 Ų62.514%0.13932%0.32CS..Hα-helixtrans-61.3-40.8173.8173.40000111.4R3 E49 F50 I51R3-V53 HydrophobicContact CB-CG1 4.31Å; E49-V53 WeakPolarHBondContact O-CG2 3.24Å; E49-V53 PolarHBondContact O-N 2.84Å; F50-V53 PolarHBondContact O-N 2.95Å; I51-V53 VanDerWaalsContact C-N 3.3Å; I51-V53 PolarHBondContact O-N 3.06Å
54I95.8Very high93.1Very high0 Ų063.3 Ų63.30%032%0.321CS..Hα-helixtrans-64.9-52175.5-65.9168.6000110L5 H9 F12 L13 F50 I51 E52 A56 Q57 L58 I65L5-I54 HydrophobicContact CD1-CG1 4.45Å; H9-I54 HydrophobicContact CB-CD1 4.16Å; H9-I54 HydrophobicContact CB-CG1 3.82Å; F12-I54 HydrophobicContact CB-CD1 4.37Å; F12-I54 HydrophobicContact CD1-CD1 3.77Å; F12-I54 HydrophobicContact CE1-CD1 4.49Å; F12-I54 HydrophobicContact CG-CD1 4.34Å; L13-I54 HydrophobicContact CD1-CG2 4.45Å; F50-I54 HydrophobicContact CD1-CD1 4.01Å; F50-I54 HydrophobicContact CE1-CD1 3.68Å; F50-I54 PolarHBondContact O-N 3.28Å; I51-I54 WeakPolarHBondContact O-CB 3.33Å; I51-I54 PolarHBondContact O-N 2.96Å; I51-I54 VanDerWaalsContact O-N 3.07Å; E52-I54 VanDerWaalsContact C-N 3.31Å; E52-I54 PolarHBondContact O-N 2.96Å; I54-A56 VanDerWaalsContact C-N 3.28Å; I54-A56 PolarHBondContact O-N 2.85Å; I54-Q57 PolarHBondContact O-N 2.99Å; I54-L58 HydrophobicContact CG2-CD1 3.66Å; I54-L58 HydrophobicContact CG2-CG 3.99Å; I54-L58 WeakPolarHBondContact O-CG 3.42Å; I54-L58 PolarHBondContact O-N 3.46Å; I54-I65 HydrophobicContact CD1-CD1 4.29Å; I54-I65 HydrophobicContact CG2-CD1 3.91Å
55N95.9Very high93.5Very high21 Ų2158.4 Ų58.411%0.11230%0.298CS..Hα-helixtrans-58.9-39.8-176.6-75.7-12000111.8I51 E52 Q57 L58 Q59 Q64 I65I51-N55 WeakPolarHBondContact CG2-ND2 3.34Å; I51-N55 WeakPolarHBondContact O-CB 3.5Å; I51-N55 PolarHBondContact O-N 2.97Å; E52-N55 PolarHBondContact O-N 3.15Å; N55-Q57 PolarHBondContact O-N 3.2Å; N55-Q57 VanDerWaalsContact O-N 3.15Å; N55-L58 PolarHBondContact O-N 2.91Å; N55-Q59 WeakPolarHBondContact O-CG 3.33Å; N55-Q59 PolarHBondContact O-N 3.17Å; N55-Q64 HydrophobicContact CB-CB 4.45Å; N55-Q64 WeakPolarHBondContact OD1-CA 3.44Å; N55-I65 PolarHBondContact ND2-O 2.92Å; N55-I65 PolarHBondContact OD1-N 3.31Å
56A95.2Very high93.6Very high47 Ų4755.6 Ų55.639%0.38828%0.278SS..Hα-helixtrans-57.2-29.9175.900000113.5E52 I54E52-A56 WeakPolarHBondContact O-CB 3.34Å; E52-A56 PolarHBondContact O-N 3.05Å; I54-A56 VanDerWaalsContact C-N 3.28Å; I54-A56 PolarHBondContact O-N 2.85Å
57Q94.3Very high93.7Very high59 Ų5956.5 Ų56.528%0.27628%0.282SS..Hα-helixtrans-89.3-22.4175.9-59.2-63.6-17.300112.9S2 R3 L5 I54 N55 P60S2-Q57 PolarHBondContact OG-NE2 2.6Å; R3-Q57 PolarHBondContact O-NE2 2.6Å; L5-Q57 HydrophobicContact CB-CG 4.28Å; L5-Q57 HydrophobicContact CD1-CB 3.48Å; L5-Q57 VanDerWaalsContact CD1-CB 3.48Å; L5-Q57 HydrophobicContact CD1-CG 3.49Å; L5-Q57 VanDerWaalsContact CD1-CG 3.49Å; L5-Q57 HydrophobicContact CG-CG 4.46Å; I54-Q57 PolarHBondContact O-N 2.99Å; N55-Q57 PolarHBondContact O-N 3.2Å; N55-Q57 VanDerWaalsContact O-N 3.15Å; Q57-P60 WeakPolarHBondContact O-CD 3.42Å
58L93.1Very high93.6Very high13 Ų1356.4 Ų56.47%0.06828%0.283CS..Hα-helixtrans-83.4-20.9176.4-64.6-176.8000113.4L13 I54 N55 P60 M61 F62 M63 L80L13-L58 HydrophobicContact CD1-CD1 4.02Å; L13-L58 HydrophobicContact CD2-CD1 4.5Å; L13-L58 HydrophobicContact CD2-CD2 3.88Å; I54-L58 HydrophobicContact CG2-CD1 3.66Å; I54-L58 HydrophobicContact CG2-CG 3.99Å; I54-L58 WeakPolarHBondContact O-CG 3.42Å; I54-L58 PolarHBondContact O-N 3.46Å; N55-L58 PolarHBondContact O-N 2.91Å; L58-P60 VanDerWaalsContact C-CD 3.45Å; L58-M61 HydrophobicContact CB-CE 4.46Å; L58-M61 HydrophobicContact CD2-CE 3.47Å; L58-M61 VanDerWaalsContact CD2-CE 3.47Å; L58-M61 WeakPolarHBondContact O-CA 3.49Å; L58-M61 WeakPolarHBondContact O-CB 3.44Å; L58-M61 PolarHBondContact O-N 3.44Å; L58-F62 PolarHBondContact O-N 2.93Å; L58-M63 CarbonylContact C-O 3.56Å; L58-M63 HydrophobicContact CB-CB 4.14Å; L58-M63 WeakPolarHBondContact CB-O 3.43Å; L58-M63 PolarHBondContact O-N 2.88Å; L58-L80 HydrophobicContact CD1-CD1 3.68Å
59Q91.4Very high93.5Very high101 Ų10154.1 Ų54.147%0.47227%0.27SS..G310 helixtrans-47.8-45.7179.6-81.4-63.1-48.800114.5N55 M61 F62N55-Q59 WeakPolarHBondContact O-CG 3.33Å; N55-Q59 PolarHBondContact O-N 3.17Å; Q59-M61 PolarHBondContact O-N 3.02Å; Q59-M61 VanDerWaalsContact O-N 3.11Å; Q59-F62 PolarHBondContact O-N 3.18Å
60P92.3Very high93.5Very high102 Ų10249.5 Ų49.566%0.66225%0.249SC*.G310 helixtrans-63-19.4179.1-22.734.9000114.5Q57 L58Q57-P60 WeakPolarHBondContact O-CD 3.42Å; L58-P60 VanDerWaalsContact C-CD 3.45Å
61M89.7Confident93.4Very high114 Ų11449.3 Ų49.356%0.56225%0.248SC*.G310 helixtrans-96.66.4176.5-62.8173-7300112L58 Q59 M63L58-M61 HydrophobicContact CB-CE 4.46Å; L58-M61 HydrophobicContact CD2-CE 3.47Å; L58-M61 VanDerWaalsContact CD2-CE 3.47Å; L58-M61 WeakPolarHBondContact O-CA 3.49Å; L58-M61 WeakPolarHBondContact O-CB 3.44Å; L58-M61 PolarHBondContact O-N 3.44Å; Q59-M61 PolarHBondContact O-N 3.02Å; Q59-M61 VanDerWaalsContact O-N 3.11Å; M61-M63 HydrophobicContact CB-CG 4.18Å; M61-M63 WeakPolarHBondContact O-CG 3.48Å; M61-M63 PolarHBondContact O-N 3.38Å
62F89.2Confident93Very high132 Ų13253.4 Ų53.458%0.57927%0.268SS*.THydrogen-bonded Turntrans55.528.7-173-55.4-87.4000112.9L58 Q59 N82 M83 A84L58-F62 PolarHBondContact O-N 2.93Å; Q59-F62 PolarHBondContact O-N 3.18Å; F62-N82 PolarHBondContact O-OD1 3.11Å; F62-M83 HydrophobicContact CB-CB 4.47Å; F62-M83 WeakPolarHBondContact O-CA 3.36Å; F62-M83 VanDerWaalsContact O-CB 3.25Å; F62-M83 WeakPolarHBondContact O-CB 3.44Å; F62-M83 PolarHBondContact O-N 3.36Å; F62-A84 HydrophobicContact CB-CB 4.31Å
63M90.4Very high92.7Very high38 Ų3849 Ų4919%0.18725%0.248CC..EExtended strand (participates in β ladder)trans-109.3147.8178.1-63.2-63.7-63.400110L58 M61 L80 V81 N82L58-M63 CarbonylContact C-O 3.56Å; L58-M63 HydrophobicContact CB-CB 4.14Å; L58-M63 WeakPolarHBondContact CB-O 3.43Å; L58-M63 PolarHBondContact O-N 2.88Å; M61-M63 HydrophobicContact CB-CG 4.18Å; M61-M63 WeakPolarHBondContact O-CG 3.48Å; M61-M63 PolarHBondContact O-N 3.38Å; M63-L80 HydrophobicContact CB-CD1 4.29Å; M63-L80 HydrophobicContact CE-CD1 4.07Å; M63-L80 HydrophobicContact CE-CD2 4.02Å; M63-L80 HydrophobicContact CE-CG 3.66Å; M63-V81 WeakPolarHBondContact CA-O 3.47Å; M63-N82 HydrophobicContact CE-CB 4.28Å; M63-N82 WeakPolarHBondContact SD-CA 3.2Å; M63-N82 HydrophobicContact SD-CB 3.58Å; M63-N82 VanDerWaalsContact SD-CB 3.58Å
64Q93Very high92.5Very high37 Ų3748 Ų4817%0.17324%0.242CC..EExtended strand (participates in β ladder)trans-155.3148.9168.556173.83.300112.5N55 R66 V81 M83N55-Q64 HydrophobicContact CB-CB 4.45Å; N55-Q64 WeakPolarHBondContact OD1-CA 3.44Å; Q64-R66 HydrophobicContact CG-CG 3.81Å; Q64-R66 VanDerWaalsContact NE2-CD 3.34Å; Q64-R66 PolarHBondContact O-N 3.48Å; Q64-V81 PolarHBondContact N-O 3.14Å; Q64-V81 PolarHBondContact O-N 2.63Å; Q64-M83 HydrophobicContact CG-CG 3.58Å; Q64-M83 HydrophobicContact CG-SD 3.68Å; Q64-M83 PolarHBondContact NE2-SD 3.1Å
65I94.9Very high92.3Very high5 Ų549.9 Ų49.93%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-78.9115.9166.3-57.4174.4000107.6F12 L13 M16 I51 I54 N55 H78 A79 L80F12-I65 HydrophobicContact CD1-CD1 4.21Å; F12-I65 HydrophobicContact CE1-CD1 3.99Å; L13-I65 HydrophobicContact CD1-CD1 4.26Å; M16-I65 HydrophobicContact CE-CG2 4.05Å; M16-I65 HydrophobicContact CG-CD1 4.3Å; I51-I65 HydrophobicContact CD1-CG2 4.29Å; I51-I65 HydrophobicContact CG2-CB 3.91Å; I51-I65 HydrophobicContact CG2-CG2 4.07Å; I54-I65 HydrophobicContact CD1-CD1 4.29Å; I54-I65 HydrophobicContact CG2-CD1 3.91Å; N55-I65 PolarHBondContact ND2-O 2.92Å; N55-I65 PolarHBondContact OD1-N 3.31Å; I65-H78 HydrophobicContact CG2-CB 4.3Å; I65-A79 CarbonylContact C-O 3.58Å; I65-A79 VanDerWaalsContact CA-O 3.32Å; I65-A79 WeakPolarHBondContact CA-O 3.44Å; I65-L80 HydrophobicContact CG1-CD1 3.99Å
66R93Very high92.1Very high67 Ų6752.8 Ų52.825%0.25327%0.265SS..EExtended strand (participates in β ladder)trans-107.5159.1175.9-65.6-171.273.6-165-6111Q64 H78 A79 V81 M168 E171Q64-R66 HydrophobicContact CG-CG 3.81Å; Q64-R66 VanDerWaalsContact NE2-CD 3.34Å; Q64-R66 PolarHBondContact O-N 3.48Å; R66-H78 VanDerWaalsContact O-CA 3.27Å; R66-H78 WeakPolarHBondContact O-CA 3.5Å; R66-A79 PolarHBondContact N-O 2.91Å; R66-A79 PolarHBondContact O-N 3Å; R66-A79 VanDerWaalsContact O-N 3.12Å; R66-V81 HydrophobicContact CB-CG2 4.38Å; R66-V81 HydrophobicContact CG-CB 4.47Å; R66-V81 HydrophobicContact CG-CG2 4.45Å; R66-M168 HydrophobicContact CB-CE 3.84Å; R66-M168 WeakPolarHBondContact O-CE 3.33Å; R66-E171 IonicContact CZ-OE2 3.99Å; R66-E171 IonicContact NH1-OE2 3.2Å; R66-E171 PolarHBondContact NH1-OE2 3.26Å; R66-E171 IonicContact NH2-OE2 2.98Å; R66-E171 PolarHBondContact NH2-OE2 3.4Å
67K93.3Very high92.1Very high92 Ų9252.9 Ų52.940%0.426%0.256SS..EExtended strand (participates in β ladder)trans-94.8140.6163.9-66.2179.3-179.2-178.10109.8D48 Y77 H78D48-K67 WeakPolarHBondContact OD1-CE 3.32Å; D48-K67 IonicContact OD1-NZ 2.79Å; D48-K67 PolarHBondContact OD1-NZ 2.87Å; D48-K67 IonicContact OD2-NZ 2.88Å; D48-K67 PolarHBondContact OD2-NZ 3.19Å; K67-Y77 CarbonylContact C-O 3.56Å; K67-Y77 VanDerWaalsContact CA-O 3.3Å; K67-Y77 WeakPolarHBondContact CA-O 3.35Å; K67-H78 WeakPolarHBondContact CE-NE2 3.42Å; K67-H78 WeakPolarHBondContact CG-NE2 3.4Å
68G92.5Very high92.2Very high7 Ų750.4 Ų50.47%0.07224%0.244CC..EExtended strand (participates in β ladder)trans-140.9148.4172.700000110.8Y77G68-Y77 PolarHBondContact N-O 3.09Å; G68-Y77 PolarHBondContact O-N 3.41Å
69M94Very high92.2Very high25 Ų2549.8 Ų49.812%0.12324%0.241CC..EExtended strand (participates in β ladder)trans-95.8132.3173.4-172.3-175.169.700108.6G74 L75 H208 P210 R214M69-G74 WeakPolarHBondContact CG-O 3.39Å; M69-L75 WeakPolarHBondContact CA-O 3.49Å; M69-H208 HydrophobicContact CE-CB 3.94Å; M69-P210 HydrophobicContact CE-CB 3.88Å; M69-P210 HydrophobicContact CE-CG 4.24Å; M69-P210 HydrophobicContact SD-CB 3.9Å; M69-R214 PolarHBondContact SD-NH1 3.46Å
70S93.6Very high92.2Very high4 Ų445.5 Ų45.53%0.02822%0.221CC..  trans-68.7135169.2171.10000110.4E72 D73 G74 L75 T164S70-E72 VanDerWaalsContact C-N 3.26Å; S70-E72 PolarHBondContact OG-N 2.8Å; S70-D73 WeakPolarHBondContact CB-OD1 3.44Å; S70-D73 PolarHBondContact OG-N 3.01Å; S70-D73 PolarHBondContact OG-OD1 2.81Å; S70-G74 WeakPolarHBondContact O-CA 3.34Å; S70-G74 PolarHBondContact O-N 2.93Å; S70-G74 VanDerWaalsContact O-N 3.09Å; S70-L75 PolarHBondContact N-O 2.94Å; S70-T164 VanDerWaalsContact CA-OG1 3.28Å; S70-T164 WeakPolarHBondContact CA-OG1 3.35Å; S70-T164 WeakPolarHBondContact CB-OG1 3.27Å; S70-T164 PolarHBondContact OG-OG1 3.11Å
71E93.3Very high92.1Very high12 Ų1240.8 Ų40.86%0.05619%0.19CC..THydrogen-bonded Turntrans-74.9-19.2175.6-56.9-168.5166.300112.2I167 V191 A192 L193 Q194 H208 P210E71-I167 HydrophobicContact CG-CD1 4.31Å; E71-V191 VanDerWaalsContact OE1-O 3.09Å; E71-A192 WeakPolarHBondContact OE1-CA 3.34Å; E71-L193 PolarHBondContact OE1-N 3Å; E71-L193 WeakPolarHBondContact OE2-CB 3.47Å; E71-L193 PolarHBondContact OE2-N 3.38Å; E71-Q194 HydrophobicContact CB-CB 4.08Å; E71-Q194 HydrophobicContact CB-CG 4.35Å; E71-Q194 PolarHBondContact OE2-N 3.09Å; E71-H208 VanDerWaalsContact CD-CD2 3.48Å; E71-H208 IonicContact OE1-CD2 2.69Å; E71-H208 PolarHBondContact OE1-CD2 2.85Å; E71-H208 IonicContact OE1-CE1 3.73Å; E71-H208 IonicContact OE1-NE2 2.61Å; E71-H208 PolarHBondContact OE1-NE2 3.3Å; E71-P210 VanDerWaalsContact O-CD 3.29Å; E71-P210 WeakPolarHBondContact O-CD 3.44Å; E71-P210 WeakPolarHBondContact O-CG 3.49Å
72E88.2Confident92Very high98 Ų9837.2 Ų37.246%0.45817%0.174SC..THydrogen-bonded Turntrans-84.6-54.3-179-174.9-178.9-176.200112.7S70 K156S70-E72 VanDerWaalsContact C-N 3.26Å; S70-E72 PolarHBondContact OG-N 2.8Å; E72-K156 IonicContact OE1-NZ 3.74Å
73D88.3Confident91.7Very high33 Ų3333.2 Ų33.218%0.17616%0.157CC..THydrogen-bonded Turntrans-107.7-7-172.667.216000113S70 L75 Y77 Y239S70-D73 WeakPolarHBondContact CB-OD1 3.44Å; S70-D73 PolarHBondContact OG-N 3.01Å; S70-D73 PolarHBondContact OG-OD1 2.81Å; D73-L75 HydrophobicContact CB-CG 4.26Å; D73-L75 PolarHBondContact O-N 3.41Å; D73-L75 VanDerWaalsContact O-N 3.14Å; D73-L75 VanDerWaalsContact OD1-CB 3.25Å; D73-L75 WeakPolarHBondContact OD1-CB 3.43Å; D73-L75 WeakPolarHBondContact OD1-CG 3.07Å; D73-L75 PolarHBondContact OD1-N 3.17Å; D73-Y77 PolarHBondContact OD2-OH 3.06Å; D73-Y239 HydrophobicContact CB-CD1 4.23Å; D73-Y239 HydrophobicContact CB-CE1 4.42Å; D73-Y239 HydrophobicContact CB-CG 4.46Å; D73-Y239 VanDerWaalsContact O-CB 3.27Å; D73-Y239 WeakPolarHBondContact O-CB 3.4Å; D73-Y239 WeakPolarHBondContact O-CD1 3.2Å
74G91Very high91.1Very high2 Ų233 Ų332%0.02116%0.162CC..  trans68.81.4-17700000115.2M69 S70 P210 R214M69-G74 WeakPolarHBondContact CG-O 3.39Å; S70-G74 WeakPolarHBondContact O-CA 3.34Å; S70-G74 PolarHBondContact O-N 2.93Å; S70-G74 VanDerWaalsContact O-N 3.09Å; G74-P210 VanDerWaalsContact CA-CB 3.46Å; G74-R214 VanDerWaalsContact O-CZ 3.27Å; G74-R214 PolarHBondContact O-NH1 2.95Å; G74-R214 PolarHBondContact O-NH2 3.1Å
75L91.9Very high89.6Confident38 Ų3838.4 Ų38.420%0.19919%0.187CC..  trans-71154.3-179.7-61.2-177000111.2M69 S70 D73 Y77 Y239 P241M69-L75 WeakPolarHBondContact CA-O 3.49Å; S70-L75 PolarHBondContact N-O 2.94Å; D73-L75 HydrophobicContact CB-CG 4.26Å; D73-L75 PolarHBondContact O-N 3.41Å; D73-L75 VanDerWaalsContact O-N 3.14Å; D73-L75 VanDerWaalsContact OD1-CB 3.25Å; D73-L75 WeakPolarHBondContact OD1-CB 3.43Å; D73-L75 WeakPolarHBondContact OD1-CG 3.07Å; D73-L75 PolarHBondContact OD1-N 3.17Å; L75-Y77 HydrophobicContact CB-CD2 4.41Å; L75-Y77 HydrophobicContact CB-CE2 3.77Å; L75-Y77 WeakPolarHBondContact O-CD2 3.38Å; L75-Y239 HydrophobicContact CD1-CD1 4.49Å; L75-Y239 HydrophobicContact CD1-CE1 3.99Å; L75-Y239 HydrophobicContact CD2-CD1 3.91Å; L75-Y239 HydrophobicContact CD2-CE1 4.08Å; L75-Y239 HydrophobicContact CG-CD1 4.09Å; L75-Y239 HydrophobicContact CG-CE1 4.1Å; L75-P241 HydrophobicContact CD2-CB 4.33Å; L75-P241 HydrophobicContact CD2-CG 3.8Å
76Q92.7Very high87.8Confident83 Ų8342.1 Ų42.139%0.38821%0.21SC..EExtended strand (participates in β ladder)trans-88.3131175.7-66.2-65.7-46.300109.5G24G24-Q76 PolarHBondContact N-O 2.93Å
77Y94.8Very high85.8Confident48 Ų4844.1 Ų44.119%0.18823%0.226CC..EExtended strand (participates in β ladder)trans-121.7155.9176.7-70.6-93.5000110.5I21 I22 D23 K67 G68 D73 L75 T164I21-Y77 HydrophobicContact CD1-CD1 4.16Å; I21-Y77 HydrophobicContact CD1-CG 4.1Å; I21-Y77 HydrophobicContact CG1-CD1 3.94Å; I21-Y77 HydrophobicContact CG1-CG 4.24Å; I22-Y77 CarbonylContact O-C 3.5Å; I22-Y77 WeakPolarHBondContact O-CA 3.4Å; D23-Y77 HydrophobicContact CB-CD1 4Å; D23-Y77 HydrophobicContact CB-CE1 3.75Å; K67-Y77 CarbonylContact C-O 3.56Å; K67-Y77 VanDerWaalsContact CA-O 3.3Å; K67-Y77 WeakPolarHBondContact CA-O 3.35Å; G68-Y77 PolarHBondContact N-O 3.09Å; G68-Y77 PolarHBondContact O-N 3.41Å; D73-Y77 PolarHBondContact OD2-OH 3.06Å; L75-Y77 HydrophobicContact CB-CD2 4.41Å; L75-Y77 HydrophobicContact CB-CE2 3.77Å; L75-Y77 WeakPolarHBondContact O-CD2 3.38Å; Y77-T164 HydrophobicContact CD2-CG2 4.27Å
78H95.6Very high84.2Confident7 Ų740.3 Ų40.33%0.03221%0.21CC..EExtended strand (participates in β ladder)trans-119.1134.8172.4-60.572.7000108.8M16 I21 I22 I65 R66 K67M16-H78 HydrophobicContact CE-CB 3.87Å; M16-H78 WeakPolarHBondContact CE-O 3.46Å; I21-H78 WeakPolarHBondContact CA-O 3.47Å; I22-H78 HydrophobicContact CG1-CB 4.32Å; I22-H78 PolarHBondContact N-O 2.75Å; I22-H78 PolarHBondContact O-N 3.37Å; I65-H78 HydrophobicContact CG2-CB 4.3Å; R66-H78 VanDerWaalsContact O-CA 3.27Å; R66-H78 WeakPolarHBondContact O-CA 3.5Å; K67-H78 WeakPolarHBondContact CE-NE2 3.42Å; K67-H78 WeakPolarHBondContact CG-NE2 3.4Å
79A93.5Very high82.6Confident0 Ų042.7 Ų42.70%022%0.223CC..EExtended strand (participates in β ladder)trans-141.2149.217600000110.2I21 I65 R66 V81 M168I21-A79 HydrophobicContact CB-CB 4.22Å; I21-A79 HydrophobicContact CD1-CB 4.38Å; I21-A79 HydrophobicContact CG1-CB 4.12Å; I65-A79 CarbonylContact C-O 3.58Å; I65-A79 VanDerWaalsContact CA-O 3.32Å; I65-A79 WeakPolarHBondContact CA-O 3.44Å; R66-A79 PolarHBondContact N-O 2.91Å; R66-A79 PolarHBondContact O-N 3Å; R66-A79 VanDerWaalsContact O-N 3.12Å; A79-V81 HydrophobicContact CB-CG2 4.39Å; A79-M168 HydrophobicContact CB-CE 3.74Å; A79-M168 HydrophobicContact CB-SD 4.09Å
80L92.1Very high81.1Confident12 Ų1245.8 Ų45.86%0.06323%0.234CC..EExtended strand (participates in β ladder)trans-84.6113171.1177.966.2000108.7L13 M17 L58 M63 I65L13-L80 HydrophobicContact CD1-CD1 4.15Å; L13-L80 HydrophobicContact CD1-CD2 4.01Å; M17-L80 HydrophobicContact CG-CD2 3.64Å; L58-L80 HydrophobicContact CD1-CD1 3.68Å; M63-L80 HydrophobicContact CB-CD1 4.29Å; M63-L80 HydrophobicContact CE-CD1 4.07Å; M63-L80 HydrophobicContact CE-CD2 4.02Å; M63-L80 HydrophobicContact CE-CG 3.66Å; I65-L80 HydrophobicContact CG1-CD1 3.99Å
81V89.6Confident80.2Confident2 Ų245.6 Ų45.61%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-111.6140.2-171.4173.80000110.3M63 Q64 R66 A79 M83 M168 E169M63-V81 WeakPolarHBondContact CA-O 3.47Å; Q64-V81 PolarHBondContact N-O 3.14Å; Q64-V81 PolarHBondContact O-N 2.63Å; R66-V81 HydrophobicContact CB-CG2 4.38Å; R66-V81 HydrophobicContact CG-CB 4.47Å; R66-V81 HydrophobicContact CG-CG2 4.45Å; A79-V81 HydrophobicContact CB-CG2 4.39Å; V81-M83 HydrophobicContact CG1-SD 3.92Å; V81-M168 WeakPolarHBondContact CG1-O 3.42Å; V81-M168 HydrophobicContact CG2-CB 4.05Å; V81-M168 HydrophobicContact CG2-CE 4.48Å; V81-E169 HydrophobicContact CG2-CG 4.29Å
82N87.1Confident79.2Confident40 Ų4048 Ų4821%0.21425%0.25CS..EExtended strand (participates in β ladder)trans-84.4129.8165.6-1722.8000109.4F62 M63 A84F62-N82 PolarHBondContact O-OD1 3.11Å; M63-N82 HydrophobicContact CE-CB 4.28Å; M63-N82 WeakPolarHBondContact SD-CA 3.2Å; M63-N82 HydrophobicContact SD-CB 3.58Å; M63-N82 VanDerWaalsContact SD-CB 3.58Å; N82-A84 WeakPolarHBondContact OD1-CB 3.37Å; N82-A84 PolarHBondContact OD1-N 3.06Å
83M82.8Confident78.7Confident48 Ų4848.7 Ų48.724%0.23626%0.261CS..  trans-100.5-4.4-178.2-58.5-58.2-63.300112.9F62 Q64 V81 Q172F62-M83 HydrophobicContact CB-CB 4.47Å; F62-M83 WeakPolarHBondContact O-CA 3.36Å; F62-M83 VanDerWaalsContact O-CB 3.25Å; F62-M83 WeakPolarHBondContact O-CB 3.44Å; F62-M83 PolarHBondContact O-N 3.36Å; Q64-M83 HydrophobicContact CG-CG 3.58Å; Q64-M83 HydrophobicContact CG-SD 3.68Å; Q64-M83 PolarHBondContact NE2-SD 3.1Å; V81-M83 HydrophobicContact CG1-SD 3.92Å; M83-Q172 PolarHBondContact O-OE1 3.1Å
84A78.3Confident78.6Confident34 Ų3451.2 Ų51.228%0.28128%0.275SS..SBendtrans-67.5134.9171.900000109.6F62 N82 T86F62-A84 HydrophobicContact CB-CB 4.31Å; N82-A84 WeakPolarHBondContact OD1-CB 3.37Å; N82-A84 PolarHBondContact OD1-N 3.06Å; A84-T86 PolarHBondContact O-N 3.42Å
85E62.3Low78.6Confident150 Ų15051.8 Ų51.870%0.70128%0.277SS*.  trans-71.624.1-178.3-62.4-179.2167.900113.7
86T55.6Low78.6Confident83 Ų8352.1 Ų52.151%0.50929%0.285SS..  trans-93.5132.3-174.750.20000112.1A84 V88 T89A84-T86 PolarHBondContact O-N 3.42Å; T86-V88 PolarHBondContact O-N 2.7Å; T86-T89 VanDerWaalsContact OG1-CG2 3.27Å; T86-T89 WeakPolarHBondContact OG1-CG2 3.47Å
87D51.9Low78.6Confident108 Ų10853.9 Ų53.958%0.57830%0.297SS*.THydrogen-bonded Turntrans-40.6121.2177.1-64.4-43.7000113.5T89 Y173D87-T89 VanDerWaalsContact O-CA 3.3Å; D87-T89 WeakPolarHBondContact O-CA 3.39Å; D87-T89 VanDerWaalsContact O-CG2 3.23Å; D87-T89 WeakPolarHBondContact O-CG2 3.44Å; D87-T89 PolarHBondContact O-N 3.48Å; D87-Y173 VanDerWaalsContact OD1-CE2 3.31Å; D87-Y173 WeakPolarHBondContact OD1-CE2 3.33Å
88V58.3Low78.5Confident13 Ų1352.6 Ų52.68%0.07929%0.293CS..THydrogen-bonded Turntrans48.224.6152.5-169.10000114.4T86 R90 M91 S92 L100 M170 Y173T86-V88 PolarHBondContact O-N 2.7Å; V88-R90 VanDerWaalsContact C-N 3.27Å; V88-R90 PolarHBondContact O-N 3.39Å; V88-M91 HydrophobicContact CG1-CB 3.6Å; V88-M91 HydrophobicContact CG1-CG 4.21Å; V88-M91 HydrophobicContact CG1-SD 4.23Å; V88-M91 PolarHBondContact O-N 3.21Å; V88-S92 WeakPolarHBondContact O-CB 3.4Å; V88-S92 PolarHBondContact O-N 2.91Å; V88-S92 PolarHBondContact O-OG 3.42Å; V88-L100 HydrophobicContact CG1-CD2 3.8Å; V88-M170 HydrophobicContact CG2-CE 4Å; V88-Y173 HydrophobicContact CG2-CE2 4.43Å
89T59Low78.5Confident57 Ų5753.7 Ų53.735%0.3530%0.299SS..THydrogen-bonded Turntrans-65.2-29.4-156.252.10000113.9T86 D87T86-T89 VanDerWaalsContact OG1-CG2 3.27Å; T86-T89 WeakPolarHBondContact OG1-CG2 3.47Å; D87-T89 VanDerWaalsContact O-CA 3.3Å; D87-T89 WeakPolarHBondContact O-CA 3.39Å; D87-T89 VanDerWaalsContact O-CG2 3.23Å; D87-T89 WeakPolarHBondContact O-CG2 3.44Å; D87-T89 PolarHBondContact O-N 3.48Å
90R63.5Low78.4Confident89 Ų8954 Ų5434%0.33630%0.3SS..THydrogen-bonded Turntrans-78.1-39175.3-70.3-172.374161.23112.9V88 S92 T93 W152 E169V88-R90 VanDerWaalsContact C-N 3.27Å; V88-R90 PolarHBondContact O-N 3.39Å; R90-S92 VanDerWaalsContact C-N 3.31Å; R90-T93 PolarHBondContact O-N 2.71Å; R90-T93 PolarHBondContact O-OG1 2.71Å; R90-W152 HydrophobicContact CB-CZ2 4.47Å; R90-E169 WeakPolarHBondContact CD-OE2 3.47Å
91M74.6Confident78.5Confident1 Ų154.3 Ų54.31%0.00530%0.301CS..Hα-helixtrans-73.2-32.5176.2-53.717868.700110.5V88 T93 D94 Y95 L100 F103 L147 W152 M170V88-M91 HydrophobicContact CG1-CB 3.6Å; V88-M91 HydrophobicContact CG1-CG 4.21Å; V88-M91 HydrophobicContact CG1-SD 4.23Å; V88-M91 PolarHBondContact O-N 3.21Å; M91-T93 PolarHBondContact O-N 2.84Å; M91-T93 VanDerWaalsContact O-N 3.12Å; M91-D94 PolarHBondContact O-N 3.29Å; M91-Y95 HydrophobicContact CB-CD2 3.96Å; M91-Y95 HydrophobicContact CE-CD2 4.35Å; M91-Y95 HydrophobicContact CE-CE2 4.35Å; M91-Y95 WeakPolarHBondContact O-CB 3.45Å; M91-Y95 PolarHBondContact O-N 3.4Å; M91-L100 HydrophobicContact CB-CD2 3.57Å; M91-F103 HydrophobicContact CE-CB 4.27Å; M91-F103 HydrophobicContact CE-CD1 3.65Å; M91-F103 HydrophobicContact CE-CD2 3.9Å; M91-F103 HydrophobicContact CE-CE1 3.88Å; M91-F103 HydrophobicContact CE-CE2 4.11Å; M91-F103 HydrophobicContact CE-CG 3.65Å; M91-F103 HydrophobicContact CE-CZ 4.1Å; M91-F103 HydrophobicContact SD-CD1 3.79Å; M91-F103 HydrophobicContact SD-CE1 3.53Å; M91-F103 VanDerWaalsContact SD-CE1 3.53Å; M91-F103 HydrophobicContact SD-CG 4.39Å; M91-F103 HydrophobicContact SD-CZ 3.92Å; M91-L147 HydrophobicContact CE-CD2 3.39Å; M91-W152 HydrophobicContact CE-CB 4.38Å; M91-W152 HydrophobicContact CE-CD2 4.06Å; M91-W152 HydrophobicContact CE-CG 3.87Å; M91-W152 HydrophobicContact CG-CD2 3.88Å; M91-W152 VanDerWaalsContact CG-CE2 3.4Å; M91-W152 HydrophobicContact CG-CE3 4.23Å; M91-W152 HydrophobicContact CG-CH2 3.77Å; M91-W152 HydrophobicContact CG-CZ2 3.35Å; M91-W152 HydrophobicContact CG-CZ3 4.19Å; M91-W152 HydrophobicContact SD-CD2 3.67Å; M91-W152 HydrophobicContact SD-CE3 3.8Å; M91-W152 HydrophobicContact SD-CG 4.13Å; M91-W152 HydrophobicContact SD-CH2 4.32Å; M91-W152 HydrophobicContact SD-CZ2 4.21Å; M91-W152 HydrophobicContact SD-CZ3 4.13Å; M91-M170 HydrophobicContact SD-SD 4.32Å
92S71.5Confident78.8Confident62 Ų6254.2 Ų54.243%0.43430%0.301SS..Hα-helixtrans-60-20.9176.9-60.60000113.8V88 R90V88-S92 WeakPolarHBondContact O-CB 3.4Å; V88-S92 PolarHBondContact O-N 2.91Å; V88-S92 PolarHBondContact O-OG 3.42Å; R90-S92 VanDerWaalsContact C-N 3.31Å
93T78.3Confident79.2Confident112 Ų11252.4 Ų52.469%0.68729%0.291SS*.Hα-helixtrans-87.8-27.2171.656.40000113.5R90 M91R90-T93 PolarHBondContact O-N 2.71Å; R90-T93 PolarHBondContact O-OG1 2.71Å; M91-T93 PolarHBondContact O-N 2.84Å; M91-T93 VanDerWaalsContact O-N 3.12Å
94D85.5Confident79.7Confident87 Ų8754 Ų5447%0.46529%0.294SS..Hα-helixtrans-105.1-13-167-62.4-9.1000113.5M91 R146M91-D94 PolarHBondContact O-N 3.29Å; D94-R146 PolarHBondContact O-NH2 3.18Å
95Y91.2Very high80.5Confident13 Ų1356.2 Ų56.25%0.05130%0.298CS..SBendtrans-131.9146.4-174.2-69.1-94.7000111.5M91 E99 L100 L147 D150 W152M91-Y95 HydrophobicContact CB-CD2 3.96Å; M91-Y95 HydrophobicContact CE-CD2 4.35Å; M91-Y95 HydrophobicContact CE-CE2 4.35Å; M91-Y95 WeakPolarHBondContact O-CB 3.45Å; M91-Y95 PolarHBondContact O-N 3.4Å; Y95-E99 WeakPolarHBondContact CA-OE2 3.19Å; Y95-E99 HydrophobicContact CD1-CB 4.01Å; Y95-L100 HydrophobicContact CG-CD2 4.46Å; Y95-L147 HydrophobicContact CD1-CD2 4.42Å; Y95-L147 HydrophobicContact CE1-CD2 3.67Å; Y95-L147 HydrophobicContact CE1-CG 4.03Å; Y95-L147 HydrophobicContact CE2-CD2 4.43Å; Y95-D150 PolarHBondContact OH-OD2 3.48Å; Y95-W152 AromaticContact CE2-NE1 3.89Å
96A93.1Very high82.2Confident46 Ų4649 Ų4938%0.3826%0.264SS..  trans-75.4158.7174.600000112N98 E99 L100A96-N98 WeakPolarHBondContact CB-OD1 3.27Å; A96-N98 PolarHBondContact O-N 3.44Å; A96-N98 VanDerWaalsContact O-N 3.11Å; A96-E99 HydrophobicContact CB-CG 4.2Å; A96-E99 PolarHBondContact N-OE2 2.94Å; A96-E99 WeakPolarHBondContact O-CA 3.29Å; A96-E99 WeakPolarHBondContact O-CB 3.44Å; A96-E99 PolarHBondContact O-N 3.3Å; A96-L100 WeakPolarHBondContact O-CG 3.42Å; A96-L100 PolarHBondContact O-N 3.36Å
97D91.6Very high84.1Confident120 Ų12045.1 Ų45.164%0.64224%0.24SC*.Hα-helixtrans-53.6-37.6-175.6-67.4-26.6000114.2L100 E101 T132D97-L100 PolarHBondContact O-N 3.21Å; D97-E101 WeakPolarHBondContact O-CB 3.47Å; D97-E101 PolarHBondContact O-N 3.29Å; D97-T132 HydrophobicContact CB-CG2 4.21Å
98N93.1Very high86.1Confident20 Ų2042 Ų4211%0.10722%0.224CC..Hα-helixtrans-75-30.4177.964.3-38.6000113.4A96 L102 T132 K133 L135A96-N98 WeakPolarHBondContact CB-OD1 3.27Å; A96-N98 PolarHBondContact O-N 3.44Å; A96-N98 VanDerWaalsContact O-N 3.11Å; N98-L102 WeakPolarHBondContact O-CB 3.32Å; N98-L102 PolarHBondContact O-N 3.46Å; N98-T132 WeakPolarHBondContact CA-OG1 3.48Å; N98-T132 WeakPolarHBondContact CB-OG1 3.37Å; N98-K133 HydrophobicContact CB-CB 4.05Å; N98-K133 WeakPolarHBondContact CB-O 3.4Å; N98-L135 VanDerWaalsContact ND2-CD2 3.25Å; N98-L135 WeakPolarHBondContact ND2-CD2 3.3Å
99E94.8Very high88Confident30 Ų3043.8 Ų43.814%0.1423%0.232CC..Hα-helixtrans-71-38.8172.2-56.7177.7143.400110.4Y95 A96 L102 F103 V143 R146Y95-E99 WeakPolarHBondContact CA-OE2 3.19Å; Y95-E99 HydrophobicContact CD1-CB 4.01Å; A96-E99 HydrophobicContact CB-CG 4.2Å; A96-E99 PolarHBondContact N-OE2 2.94Å; A96-E99 WeakPolarHBondContact O-CA 3.29Å; A96-E99 WeakPolarHBondContact O-CB 3.44Å; A96-E99 PolarHBondContact O-N 3.3Å; E99-L102 WeakPolarHBondContact O-CB 3.3Å; E99-L102 PolarHBondContact O-N 2.73Å; E99-F103 PolarHBondContact O-N 3.47Å; E99-V143 HydrophobicContact CB-CG1 4.01Å; E99-V143 HydrophobicContact CB-CG2 4.49Å; E99-V143 HydrophobicContact CG-CG1 4.22Å; E99-V143 HydrophobicContact CG-CG2 3.8Å; E99-R146 IonicContact OE1-NH1 3.38Å
100L93.2Very high89.7Confident6 Ų641.1 Ų41.13%0.03122%0.216CC..Hα-helixtrans-66.5-38.2173.2-64.1172.9000112V88 M91 Y95 A96 D97 F103 R104V88-L100 HydrophobicContact CG1-CD2 3.8Å; M91-L100 HydrophobicContact CB-CD2 3.57Å; Y95-L100 HydrophobicContact CG-CD2 4.46Å; A96-L100 WeakPolarHBondContact O-CG 3.42Å; A96-L100 PolarHBondContact O-N 3.36Å; D97-L100 PolarHBondContact O-N 3.21Å; L100-F103 PolarHBondContact O-N 2.82Å; L100-R104 WeakPolarHBondContact O-CG 3.4Å; L100-R104 PolarHBondContact O-N 3.35Å; L100-R104 PolarHBondContact O-NH1 2.9Å
101E93.6Very high91.2Very high20 Ų2037.8 Ų37.89%0.09321%0.205CC..Hα-helixtrans-64.4-44.4173.8-168-174.5167.800111.4D97 F103 R104 K105 L130 Q131 T132D97-E101 WeakPolarHBondContact O-CB 3.47Å; D97-E101 PolarHBondContact O-N 3.29Å; E101-F103 VanDerWaalsContact C-N 3.33Å; E101-F103 PolarHBondContact O-N 3.27Å; E101-R104 VanDerWaalsContact CA-NH2 3.31Å; E101-R104 PolarHBondContact O-N 3.4Å; E101-K105 WeakPolarHBondContact O-CG 3.42Å; E101-K105 PolarHBondContact O-N 3.07Å; E101-L130 HydrophobicContact CB-CD2 4.14Å; E101-L130 HydrophobicContact CG-CD2 3.82Å; E101-L130 WeakPolarHBondContact OE1-CA 3.47Å; E101-Q131 PolarHBondContact OE1-N 2.82Å; E101-Q131 PolarHBondContact OE2-N 3.45Å; E101-T132 WeakPolarHBondContact OE2-CB 3.29Å; E101-T132 VanDerWaalsContact OE2-CG2 3.3Å; E101-T132 WeakPolarHBondContact OE2-CG2 3.44Å; E101-T132 PolarHBondContact OE2-N 2.91Å; E101-T132 PolarHBondContact OE2-OG1 3.44Å
102L95.5Very high92.1Very high0 Ų042.3 Ų42.30%023%0.229CC..Hα-helixtrans-57.4-47.2172.9179.270.9000111N98 E99 R104 K105 T106 I123 A127 L130 L135 T140 V143N98-L102 WeakPolarHBondContact O-CB 3.32Å; N98-L102 PolarHBondContact O-N 3.46Å; E99-L102 WeakPolarHBondContact O-CB 3.3Å; E99-L102 PolarHBondContact O-N 2.73Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 2.83Å; L102-K105 WeakPolarHBondContact O-CB 3.34Å; L102-K105 PolarHBondContact O-N 3.28Å; L102-K105 VanDerWaalsContact O-N 3.15Å; L102-T106 PolarHBondContact O-N 3.25Å; L102-T106 PolarHBondContact O-OG1 2.69Å; L102-T106 VanDerWaalsContact O-OG1 3.12Å; L102-I123 HydrophobicContact CD1-CG2 3.92Å; L102-A127 HydrophobicContact CD1-CB 4.31Å; L102-L130 HydrophobicContact CB-CD1 4.31Å; L102-L130 HydrophobicContact CB-CD2 4.39Å; L102-L135 HydrophobicContact CB-CD1 4.3Å; L102-L135 HydrophobicContact CD2-CD1 3.91Å; L102-T140 HydrophobicContact CD1-CG2 3.96Å; L102-T140 HydrophobicContact CD2-CG2 3.68Å; L102-T140 HydrophobicContact CG-CG2 4.47Å; L102-V143 HydrophobicContact CD2-CB 4.12Å; L102-V143 HydrophobicContact CD2-CG1 3.89Å
103F95.4Very high93.2Very high1 Ų140.9 Ų40.90%0.00422%0.219CC..Hα-helixtrans-58.7-44.6178177.2-108000111.9M91 E99 L100 E101 K105 T106 M107 L147 W152 L153 L162 M170M91-F103 HydrophobicContact CE-CB 4.27Å; M91-F103 HydrophobicContact CE-CD1 3.65Å; M91-F103 HydrophobicContact CE-CD2 3.9Å; M91-F103 HydrophobicContact CE-CE1 3.88Å; M91-F103 HydrophobicContact CE-CE2 4.11Å; M91-F103 HydrophobicContact CE-CG 3.65Å; M91-F103 HydrophobicContact CE-CZ 4.1Å; M91-F103 HydrophobicContact SD-CD1 3.79Å; M91-F103 HydrophobicContact SD-CE1 3.53Å; M91-F103 VanDerWaalsContact SD-CE1 3.53Å; M91-F103 HydrophobicContact SD-CG 4.39Å; M91-F103 HydrophobicContact SD-CZ 3.92Å; E99-F103 PolarHBondContact O-N 3.47Å; L100-F103 PolarHBondContact O-N 2.82Å; E101-F103 VanDerWaalsContact C-N 3.33Å; E101-F103 PolarHBondContact O-N 3.27Å; F103-K105 VanDerWaalsContact C-N 3.34Å; F103-K105 PolarHBondContact O-N 3.14Å; F103-T106 WeakPolarHBondContact O-CB 3.39Å; F103-T106 PolarHBondContact O-N 3.32Å; F103-T106 VanDerWaalsContact O-N 3.16Å; F103-M107 HydrophobicContact CD1-CG 4.45Å; F103-M107 HydrophobicContact CD1-SD 4.29Å; F103-M107 HydrophobicContact CE1-CE 4.47Å; F103-M107 HydrophobicContact CE1-CG 4.05Å; F103-M107 HydrophobicContact CE1-SD 3.58Å; F103-M107 VanDerWaalsContact CE1-SD 3.58Å; F103-M107 HydrophobicContact CE2-CG 4.44Å; F103-M107 HydrophobicContact CZ-CG 4.04Å; F103-M107 HydrophobicContact CZ-SD 3.89Å; F103-M107 WeakPolarHBondContact O-CG 3.49Å; F103-M107 PolarHBondContact O-N 3.42Å; F103-L147 HydrophobicContact CB-CD1 4.43Å; F103-L147 HydrophobicContact CD2-CD1 4.05Å; F103-L147 HydrophobicContact CD2-CD2 3.94Å; F103-L147 HydrophobicContact CE2-CD2 4.5Å; F103-L147 HydrophobicContact CG-CD2 4.47Å; F103-W152 HydrophobicContact CE2-CB 4.2Å; F103-L153 HydrophobicContact CE2-CD2 4.02Å; F103-L153 HydrophobicContact CE2-CG 4.33Å; F103-L162 HydrophobicContact CE2-CD2 4.46Å; F103-M170 HydrophobicContact CE1-CE 4.03Å; F103-M170 HydrophobicContact CE1-SD 3.86Å; F103-M170 HydrophobicContact CZ-SD 4.16Å
104R93.9Very high93.7Very high81 Ų8143.4 Ų43.431%0.30623%0.229SC..Hα-helixtrans-59.8-43.6174.9-73.3-175.8-65.2-87.80.2112.1L100 E101 L102 T106 M107 D108L100-R104 WeakPolarHBondContact O-CG 3.4Å; L100-R104 PolarHBondContact O-N 3.35Å; L100-R104 PolarHBondContact O-NH1 2.9Å; E101-R104 VanDerWaalsContact CA-NH2 3.31Å; E101-R104 PolarHBondContact O-N 3.4Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 2.83Å; R104-T106 VanDerWaalsContact C-N 3.31Å; R104-T106 PolarHBondContact O-N 3.45Å; R104-M107 HydrophobicContact CG-CE 4.18Å; R104-M107 WeakPolarHBondContact O-CB 3.49Å; R104-M107 PolarHBondContact O-N 3.33Å; R104-M107 VanDerWaalsContact O-N 3.13Å; R104-D108 VanDerWaalsContact O-CG 3.32Å; R104-D108 PolarHBondContact O-N 3.12Å
105K95.2Very high94Very high81 Ų8143.6 Ų43.635%0.35223%0.23SC..Hα-helixtrans-62.7-36.9174.9-70.1-67.7172.9-158.20112.8E101 L102 F103 D108 L109 C126 L130E101-K105 WeakPolarHBondContact O-CG 3.42Å; E101-K105 PolarHBondContact O-N 3.07Å; L102-K105 WeakPolarHBondContact O-CB 3.34Å; L102-K105 PolarHBondContact O-N 3.28Å; L102-K105 VanDerWaalsContact O-N 3.15Å; F103-K105 VanDerWaalsContact C-N 3.34Å; F103-K105 PolarHBondContact O-N 3.14Å; K105-D108 IonicContact NZ-OD2 3.94Å; K105-D108 WeakPolarHBondContact O-CB 3.32Å; K105-D108 PolarHBondContact O-N 3.19Å; K105-L109 WeakPolarHBondContact O-CG 3.5Å; K105-L109 PolarHBondContact O-N 3.47Å; K105-L109 VanDerWaalsContact O-N 3.11Å; K105-C126 HydrophobicContact CB-CB 4.29Å; K105-L130 HydrophobicContact CG-CD2 4.42Å
106T96.6Very high94.1Very high0 Ų043 Ų430%023%0.228CC..Hα-helixtrans-64.5-40.1172.4-57.90000111.7L102 F103 R104 L109 I110 I123 L153L102-T106 PolarHBondContact O-N 3.25Å; L102-T106 PolarHBondContact O-OG1 2.69Å; L102-T106 VanDerWaalsContact O-OG1 3.12Å; F103-T106 WeakPolarHBondContact O-CB 3.39Å; F103-T106 PolarHBondContact O-N 3.32Å; F103-T106 VanDerWaalsContact O-N 3.16Å; R104-T106 VanDerWaalsContact C-N 3.31Å; R104-T106 PolarHBondContact O-N 3.45Å; T106-L109 PolarHBondContact O-N 2.92Å; T106-I110 HydrophobicContact CG2-CD1 3.87Å; T106-I110 VanDerWaalsContact O-CG1 3.3Å; T106-I110 WeakPolarHBondContact O-CG1 3.4Å; T106-I110 PolarHBondContact O-N 3.29Å; T106-I123 HydrophobicContact CG2-CD1 3.68Å; T106-I123 HydrophobicContact CG2-CG1 4.06Å; T106-I123 WeakPolarHBondContact OG1-CG2 3.38Å; T106-L153 HydrophobicContact CG2-CD1 4.12Å; T106-L153 HydrophobicContact CG2-CD2 4.36Å
107M95.6Very high94.3Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-62.6-42.3173.6-61.7-166.9-48.700111.9F103 R104 L109 I110 V111 L162 M170 Y173 L177 Y178F103-M107 HydrophobicContact CD1-CG 4.45Å; F103-M107 HydrophobicContact CD1-SD 4.29Å; F103-M107 HydrophobicContact CE1-CE 4.47Å; F103-M107 HydrophobicContact CE1-CG 4.05Å; F103-M107 HydrophobicContact CE1-SD 3.58Å; F103-M107 VanDerWaalsContact CE1-SD 3.58Å; F103-M107 HydrophobicContact CE2-CG 4.44Å; F103-M107 HydrophobicContact CZ-CG 4.04Å; F103-M107 HydrophobicContact CZ-SD 3.89Å; F103-M107 WeakPolarHBondContact O-CG 3.49Å; F103-M107 PolarHBondContact O-N 3.42Å; R104-M107 HydrophobicContact CG-CE 4.18Å; R104-M107 WeakPolarHBondContact O-CB 3.49Å; R104-M107 PolarHBondContact O-N 3.33Å; R104-M107 VanDerWaalsContact O-N 3.13Å; M107-L109 VanDerWaalsContact C-N 3.34Å; M107-L109 PolarHBondContact O-N 3.01Å; M107-I110 PolarHBondContact O-N 2.81Å; M107-V111 WeakPolarHBondContact O-CB 3.5Å; M107-V111 WeakPolarHBondContact O-CG2 3.49Å; M107-V111 PolarHBondContact O-N 2.92Å; M107-L162 HydrophobicContact CG-CD2 4.15Å; M107-M170 HydrophobicContact CE-CE 4.46Å; M107-M170 HydrophobicContact SD-CE 4.07Å; M107-Y173 HydrophobicContact CE-CD1 4.46Å; M107-Y173 HydrophobicContact CE-CE1 3.67Å; M107-L177 HydrophobicContact CE-CD2 4.3Å; M107-Y178 HydrophobicContact CB-CE2 4.35Å; M107-Y178 WeakPolarHBondContact CB-OH 3.44Å; M107-Y178 HydrophobicContact CE-CE2 4.15Å
108D95.4Very high94.6Very high44 Ų4436.4 Ų36.424%0.23519%0.188CC..Hα-helixtrans-55.1-51.3176.1-61.5-19000110R104 K105 I110 V111 D112 Y178R104-D108 VanDerWaalsContact O-CG 3.32Å; R104-D108 PolarHBondContact O-N 3.12Å; K105-D108 IonicContact NZ-OD2 3.94Å; K105-D108 WeakPolarHBondContact O-CB 3.32Å; K105-D108 PolarHBondContact O-N 3.19Å; D108-I110 VanDerWaalsContact C-N 3.34Å; D108-I110 PolarHBondContact O-N 3.39Å; D108-V111 PolarHBondContact O-N 2.75Å; D108-D112 WeakPolarHBondContact O-CB 3.41Å; D108-D112 PolarHBondContact O-N 2.92Å; D108-Y178 PolarHBondContact N-OH 3.35Å; D108-Y178 WeakPolarHBondContact OD1-CE1 3.31Å; D108-Y178 PolarHBondContact OD1-OH 2.78Å
109L96.6Very high94.8Very high50 Ų5036.5 Ų36.526%0.26219%0.19SC..Hα-helixtrans-59.4-41.3177.6-67.9172.3000113K105 T106 M107 S113 A118 D122 I123K105-L109 WeakPolarHBondContact O-CG 3.5Å; K105-L109 PolarHBondContact O-N 3.47Å; K105-L109 VanDerWaalsContact O-N 3.11Å; T106-L109 PolarHBondContact O-N 2.92Å; M107-L109 VanDerWaalsContact C-N 3.34Å; M107-L109 PolarHBondContact O-N 3.01Å; L109-S113 WeakPolarHBondContact O-CB 3.44Å; L109-S113 PolarHBondContact O-N 3.13Å; L109-A118 HydrophobicContact CB-CB 3.56Å; L109-A118 HydrophobicContact CD1-CB 4.29Å; L109-D122 HydrophobicContact CD1-CB 4Å; L109-D122 HydrophobicContact CD2-CB 4.46Å; L109-I123 HydrophobicContact CD1-CB 4.46Å; L109-I123 HydrophobicContact CD1-CG1 3.83Å
110I96.7Very high94.9Very high1 Ų136.9 Ų36.91%0.00520%0.196CC..Hα-helixtrans-66.7-44.5179.5-73166.6000110.9T106 M107 D108 S113 A118 L153 L162 L193T106-I110 HydrophobicContact CG2-CD1 3.87Å; T106-I110 VanDerWaalsContact O-CG1 3.3Å; T106-I110 WeakPolarHBondContact O-CG1 3.4Å; T106-I110 PolarHBondContact O-N 3.29Å; M107-I110 PolarHBondContact O-N 2.81Å; D108-I110 VanDerWaalsContact C-N 3.34Å; D108-I110 PolarHBondContact O-N 3.39Å; I110-S113 PolarHBondContact O-N 2.88Å; I110-S113 PolarHBondContact O-OG 3.49Å; I110-A118 HydrophobicContact CG1-CB 3.78Å; I110-L153 HydrophobicContact CD1-CD2 4.2Å; I110-L162 HydrophobicContact CD1-CD2 3.76Å; I110-L162 HydrophobicContact CD1-CG 4.18Å; I110-L162 HydrophobicContact CG2-CG 4.33Å; I110-L193 HydrophobicContact CG2-CD1 4.38Å
111V94.6Very high95Very high19 Ų1940.6 Ų40.612%0.11522%0.219CC..Hα-helixtrans-68.6-37.2-178.3168.90000111.5M107 D108 S113 Y178 Q181 V182 L193M107-V111 WeakPolarHBondContact O-CB 3.5Å; M107-V111 WeakPolarHBondContact O-CG2 3.49Å; M107-V111 PolarHBondContact O-N 2.92Å; D108-V111 PolarHBondContact O-N 2.75Å; V111-S113 VanDerWaalsContact C-N 3.27Å; V111-S113 PolarHBondContact O-N 3.26Å; V111-Y178 HydrophobicContact CB-CD1 4.33Å; V111-Y178 HydrophobicContact CB-CE1 4.47Å; V111-Y178 HydrophobicContact CB-CG 4.49Å; V111-Y178 HydrophobicContact CG1-CD1 3.91Å; V111-Y178 HydrophobicContact CG1-CG 3.99Å; V111-Y178 HydrophobicContact CG2-CD1 4.34Å; V111-Y178 HydrophobicContact CG2-CD2 3.98Å; V111-Y178 HydrophobicContact CG2-CE1 4.42Å; V111-Y178 HydrophobicContact CG2-CE2 4.06Å; V111-Y178 HydrophobicContact CG2-CG 4.12Å; V111-Q181 HydrophobicContact CG1-CB 3.72Å; V111-V182 HydrophobicContact CB-CG2 4.49Å; V111-V182 HydrophobicContact CG1-CG2 3.69Å; V111-V182 HydrophobicContact CG2-CG2 3.98Å; V111-L193 HydrophobicContact CG2-CD2 3.95Å
112D93.9Very high95.1Very high95 Ų9543.3 Ų43.351%0.50823%0.234SC..Hα-helixtrans-77.5-14-179.7-65.7-5.6000112.5D108 Q181D108-D112 WeakPolarHBondContact O-CB 3.41Å; D108-D112 PolarHBondContact O-N 2.92Å; D112-Q181 VanDerWaalsContact OD1-CD 3.31Å; D112-Q181 PolarHBondContact OD1-NE2 2.57Å; D112-Q181 PolarHBondContact OD1-OE1 3.15Å; D112-Q181 VanDerWaalsContact OD1-OE1 3.06Å
113S94.6Very high95.2Very high32 Ų3243.4 Ų43.422%0.22423%0.234CC..SBendtrans-79.8147.7178.6760000113.2L109 I110 V111 N115 G116 T117L109-S113 WeakPolarHBondContact O-CB 3.44Å; L109-S113 PolarHBondContact O-N 3.13Å; I110-S113 PolarHBondContact O-N 2.88Å; I110-S113 PolarHBondContact O-OG 3.49Å; V111-S113 VanDerWaalsContact C-N 3.27Å; V111-S113 PolarHBondContact O-N 3.26Å; S113-N115 VanDerWaalsContact C-N 3.32Å; S113-N115 PolarHBondContact O-N 2.72Å; S113-G116 VanDerWaalsContact OG-CA 3.25Å; S113-G116 WeakPolarHBondContact OG-CA 3.36Å; S113-G116 PolarHBondContact OG-N 2.83Å; S113-T117 WeakPolarHBondContact CB-O 3.39Å; S113-T117 PolarHBondContact OG-N 3.12Å; S113-T117 PolarHBondContact OG-O 2.79Å
114D88.6Confident95.1Very high165 Ų16544.2 Ų44.288%0.88224%0.239SC*.THydrogen-bonded Turntrans-68.9-28.8178-68.5-35.5000113.5
115N90.8Very high95.1Very high91 Ų9145.1 Ų45.149%0.48725%0.25SC..THydrogen-bonded Turntrans-105.33.4-174.669.9-6.5000113.7S113 T117S113-N115 VanDerWaalsContact C-N 3.32Å; S113-N115 PolarHBondContact O-N 2.72Å; N115-T117 PolarHBondContact ND2-OG1 3Å; N115-T117 PolarHBondContact OD1-N 2.96Å; N115-T117 VanDerWaalsContact OD1-N 3.14Å; N115-T117 PolarHBondContact OD1-OG1 2.99Å
116G94.1Very high94.9Very high1 Ų142.5 Ų42.51%0.0124%0.241CC..SBendtrans67.736.5-17800000113.3S113S113-G116 VanDerWaalsContact OG-CA 3.25Å; S113-G116 WeakPolarHBondContact OG-CA 3.36Å; S113-G116 PolarHBondContact OG-N 2.83Å
117T96.7Very high94.4Very high24 Ų2442.5 Ų42.515%0.14724%0.241CC..  trans-139.9154.7177.770.40000112.4S113 N115 Y160S113-T117 WeakPolarHBondContact CB-O 3.39Å; S113-T117 PolarHBondContact OG-N 3.12Å; S113-T117 PolarHBondContact OG-O 2.79Å; N115-T117 PolarHBondContact ND2-OG1 3Å; N115-T117 PolarHBondContact OD1-N 2.96Å; N115-T117 VanDerWaalsContact OD1-N 3.14Å; N115-T117 PolarHBondContact OD1-OG1 2.99Å; T117-Y160 CarbonylContact C-O 3.35Å; T117-Y160 WeakPolarHBondContact CA-O 3.45Å
118A97.8Very high93.8Very high4 Ų446.5 Ų46.53%0.03326%0.263CS..EExtended strand (participates in β ladder)trans-126.9133.7173.600000110.7L109 I110 I123 Y160L109-A118 HydrophobicContact CB-CB 3.56Å; L109-A118 HydrophobicContact CD1-CB 4.29Å; I110-A118 HydrophobicContact CG1-CB 3.78Å; A118-I123 HydrophobicContact CB-CD1 4.07Å; A118-I123 HydrophobicContact CB-CG1 4.07Å; A118-Y160 PolarHBondContact N-O 3.19Å; A118-Y160 PolarHBondContact O-N 3.48Å
119S97.6Very high93.3Very high21 Ų2147.3 Ų47.315%0.14727%0.272CS..EExtended strand (participates in β ladder)trans-71.9147.6179.580.50000111.6T121 D122 I123 D159S119-T121 PolarHBondContact O-N 3.46Å; S119-T121 PolarHBondContact OG-OG1 3.44Å; S119-D122 PolarHBondContact O-N 3.05Å; S119-D122 VanDerWaalsContact O-N 3.1Å; S119-D122 PolarHBondContact OG-N 2.99Å; S119-D122 VanDerWaalsContact OG-N 3.1Å; S119-D122 PolarHBondContact OG-OD2 3.23Å; S119-I123 WeakPolarHBondContact O-CG1 3.3Å; S119-I123 PolarHBondContact O-N 3.2Å; S119-I123 VanDerWaalsContact O-N 3.09Å; S119-D159 WeakPolarHBondContact CA-OD1 3.47Å
120S96.3Very high92.9Very high39 Ų3945.3 Ų45.327%0.27326%0.261SS..Hα-helixtrans-51.3-38.6172.956.50000112.2L124 G158S120-L124 VanDerWaalsContact O-CB 3.32Å; S120-L124 WeakPolarHBondContact O-CB 3.14Å; S120-L124 WeakPolarHBondContact O-CD1 3.39Å; S120-L124 WeakPolarHBondContact O-CG 3.47Å; S120-L124 PolarHBondContact O-N 2.85Å; S120-G158 VanDerWaalsContact CB-O 3.29Å; S120-G158 WeakPolarHBondContact CB-O 3.43Å; S120-G158 PolarHBondContact N-O 2.93Å; S120-G158 PolarHBondContact OG-O 2.78Å
121T95.6Very high92.4Very high83 Ų8353.2 Ų53.251%0.50930%0.298SS..Hα-helixtrans-65.6-42.8178.938.60000112.6S119 L124 N125S119-T121 PolarHBondContact O-N 3.46Å; S119-T121 PolarHBondContact OG-OG1 3.44Å; T121-L124 PolarHBondContact O-N 2.99Å; T121-N125 PolarHBondContact O-N 2.71Å; T121-N125 PolarHBondContact O-ND2 2.86Å; T121-N125 VanDerWaalsContact O-ND2 3.09Å
122D96.3Very high91.8Very high78 Ų7856 Ų5642%0.41732%0.315SS..Hα-helixtrans-67.1-43.1179.1-62.9-37000110.7L109 S119 L124 N125 C126L109-D122 HydrophobicContact CD1-CB 4Å; L109-D122 HydrophobicContact CD2-CB 4.46Å; S119-D122 PolarHBondContact O-N 3.05Å; S119-D122 VanDerWaalsContact O-N 3.1Å; S119-D122 PolarHBondContact OG-N 2.99Å; S119-D122 VanDerWaalsContact OG-N 3.1Å; S119-D122 PolarHBondContact OG-OD2 3.23Å; D122-L124 PolarHBondContact O-N 2.8Å; D122-N125 PolarHBondContact O-N 2.78Å; D122-C126 PolarHBondContact O-N 3.34Å; D122-C126 VanDerWaalsContact O-N 3.16Å; D122-C126 PolarHBondContact O-SG 2.76Å; D122-C126 VanDerWaalsContact O-SG 3.41Å
123I96.6Very high91.6Very high1 Ų157.8 Ų57.81%0.00532%0.319CS..Hα-helixtrans-62.9-43177.1-59.6163.2000111L102 T106 L109 A118 S119 N125 C126 A127 L144 Y160L102-I123 HydrophobicContact CD1-CG2 3.92Å; T106-I123 HydrophobicContact CG2-CD1 3.68Å; T106-I123 HydrophobicContact CG2-CG1 4.06Å; T106-I123 WeakPolarHBondContact OG1-CG2 3.38Å; L109-I123 HydrophobicContact CD1-CB 4.46Å; L109-I123 HydrophobicContact CD1-CG1 3.83Å; A118-I123 HydrophobicContact CB-CD1 4.07Å; A118-I123 HydrophobicContact CB-CG1 4.07Å; S119-I123 WeakPolarHBondContact O-CG1 3.3Å; S119-I123 PolarHBondContact O-N 3.2Å; S119-I123 VanDerWaalsContact O-N 3.09Å; I123-N125 VanDerWaalsContact C-N 3.28Å; I123-N125 PolarHBondContact O-N 3.19Å; I123-C126 WeakPolarHBondContact O-CB 3.18Å; I123-C126 PolarHBondContact O-N 2.73Å; I123-C126 VanDerWaalsContact O-N 3.14Å; I123-A127 PolarHBondContact O-N 2.84Å; I123-L144 HydrophobicContact CB-CD1 4.48Å; I123-L144 HydrophobicContact CD1-CD1 4.47Å; I123-L144 HydrophobicContact CD1-CD2 4.28Å; I123-L144 HydrophobicContact CG2-CD1 4.02Å; I123-L144 HydrophobicContact CG2-CD2 4.11Å; I123-L144 HydrophobicContact CG2-CG 4.49Å; I123-Y160 HydrophobicContact CD1-CD2 3.63Å; I123-Y160 HydrophobicContact CD1-CE2 4.39Å; I123-Y160 HydrophobicContact CD1-CG 3.94Å
124L94.3Very high91.4Very high19 Ų1962.7 Ų62.710%0.09934%0.336CS..Hα-helixtrans-61.8-36.5177.1-79165.6000112.3S120 T121 D122 C126 A127 K137 T140 E141S120-L124 VanDerWaalsContact O-CB 3.32Å; S120-L124 WeakPolarHBondContact O-CB 3.14Å; S120-L124 WeakPolarHBondContact O-CD1 3.39Å; S120-L124 WeakPolarHBondContact O-CG 3.47Å; S120-L124 PolarHBondContact O-N 2.85Å; T121-L124 PolarHBondContact O-N 2.99Å; D122-L124 PolarHBondContact O-N 2.8Å; L124-C126 VanDerWaalsContact C-N 3.3Å; L124-C126 PolarHBondContact O-N 3.04Å; L124-A127 WeakPolarHBondContact O-CB 3.4Å; L124-A127 PolarHBondContact O-N 3.1Å; L124-K137 HydrophobicContact CD2-CB 3.99Å; L124-K137 HydrophobicContact CD2-CG 4.22Å; L124-T140 HydrophobicContact CD2-CG2 3.75Å; L124-T140 HydrophobicContact CG-CG2 4.48Å; L124-E141 HydrophobicContact CD2-CG 4.28Å
125N92.9Very high91.5Very high100 Ų10055.3 Ų55.354%0.53530%0.296SS..Hα-helixtrans-68.5-30.5176.6-67-28.5000112T121 D122 I123 A127T121-N125 PolarHBondContact O-N 2.71Å; T121-N125 PolarHBondContact O-ND2 2.86Å; T121-N125 VanDerWaalsContact O-ND2 3.09Å; D122-N125 PolarHBondContact O-N 2.78Å; I123-N125 VanDerWaalsContact C-N 3.28Å; I123-N125 PolarHBondContact O-N 3.19Å; N125-A127 VanDerWaalsContact C-N 3.31Å
126C90.4Very high91.6Very high25 Ų2558.3 Ų58.317%0.16931%0.305CS..Hα-helixtrans-70.9-23.8172.8-64.40000113.4K105 D122 I123 L124 D128 S129K105-C126 HydrophobicContact CB-CB 4.29Å; D122-C126 PolarHBondContact O-N 3.34Å; D122-C126 VanDerWaalsContact O-N 3.16Å; D122-C126 PolarHBondContact O-SG 2.76Å; D122-C126 VanDerWaalsContact O-SG 3.41Å; I123-C126 WeakPolarHBondContact O-CB 3.18Å; I123-C126 PolarHBondContact O-N 2.73Å; I123-C126 VanDerWaalsContact O-N 3.14Å; L124-C126 VanDerWaalsContact C-N 3.3Å; L124-C126 PolarHBondContact O-N 3.04Å; C126-D128 PolarHBondContact O-N 3.14Å; C126-S129 PolarHBondContact O-N 2.89Å; C126-S129 VanDerWaalsContact O-N 3.1Å; C126-S129 PolarHBondContact O-OG 2.85Å
127A87.5Confident91.6Very high1 Ų164.1 Ų64.11%0.00833%0.33CS..Hα-helixtrans-63.6-27.1-178.600000113.4L102 I123 L124 N125 S129 L130 L135 T140L102-A127 HydrophobicContact CD1-CB 4.31Å; I123-A127 PolarHBondContact O-N 2.84Å; L124-A127 WeakPolarHBondContact O-CB 3.4Å; L124-A127 PolarHBondContact O-N 3.1Å; N125-A127 VanDerWaalsContact C-N 3.31Å; A127-S129 VanDerWaalsContact C-N 3.32Å; A127-L130 WeakPolarHBondContact O-CG 3.25Å; A127-L135 HydrophobicContact CB-CB 4.35Å; A127-L135 PolarHBondContact O-N 3.01Å; A127-T140 HydrophobicContact CB-CG2 3.92Å; A127-T140 VanDerWaalsContact CB-OG1 3.24Å; A127-T140 WeakPolarHBondContact CB-OG1 3.47Å
128D81.8Confident91.5Very high83 Ų8373.1 Ų73.144%0.44436%0.361SS..THydrogen-bonded Turntrans-79.7-13.5178.6-73.3-33000113.3C126 K134C126-D128 PolarHBondContact O-N 3.14Å; D128-K134 WeakPolarHBondContact O-CD 3.45Å; D128-K134 WeakPolarHBondContact O-CE 3.18Å; D128-K134 PolarHBondContact O-NZ 3.48Å
129S85.1Confident91.3Very high62 Ų6276.8 Ų76.843%0.43438%0.378SS..THydrogen-bonded Turntrans-1065.4-179.764.40000114.2C126 A127 Q131C126-S129 PolarHBondContact O-N 2.89Å; C126-S129 VanDerWaalsContact O-N 3.1Å; C126-S129 PolarHBondContact O-OG 2.85Å; A127-S129 VanDerWaalsContact C-N 3.32Å; S129-Q131 PolarHBondContact O-N 3.19Å; S129-Q131 PolarHBondContact O-NE2 3.43Å
130L89.2Confident91.2Very high7 Ų775.8 Ų75.84%0.03737%0.371CS..  trans-59.6133.6173.8-60.6177.8000111.2E101 L102 K105 A127 L135E101-L130 HydrophobicContact CB-CD2 4.14Å; E101-L130 HydrophobicContact CG-CD2 3.82Å; E101-L130 WeakPolarHBondContact OE1-CA 3.47Å; L102-L130 HydrophobicContact CB-CD1 4.31Å; L102-L130 HydrophobicContact CB-CD2 4.39Å; K105-L130 HydrophobicContact CG-CD2 4.42Å; A127-L130 WeakPolarHBondContact O-CG 3.25Å; L130-L135 HydrophobicContact CD1-CB 4.28Å; L130-L135 HydrophobicContact CD1-CD1 3.84Å; L130-L135 HydrophobicContact CD1-CG 3.98Å
131Q85.7Confident91.2Very high168 Ų16878.3 Ų78.379%0.78538%0.379SS*.SBendtrans-83.4-36-176.5-60.8-57.5-50.300112.5E101 S129E101-Q131 PolarHBondContact OE1-N 2.82Å; E101-Q131 PolarHBondContact OE2-N 3.45Å; S129-Q131 PolarHBondContact O-N 3.19Å; S129-Q131 PolarHBondContact O-NE2 3.43Å
132T82.7Confident91.3Very high77 Ų7779.9 Ų79.947%0.47238%0.38SS..SBendtrans-68.9-63-179.849.20000111.7D97 N98 E101D97-T132 HydrophobicContact CB-CG2 4.21Å; N98-T132 WeakPolarHBondContact CA-OG1 3.48Å; N98-T132 WeakPolarHBondContact CB-OG1 3.37Å; E101-T132 WeakPolarHBondContact OE2-CB 3.29Å; E101-T132 VanDerWaalsContact OE2-CG2 3.3Å; E101-T132 WeakPolarHBondContact OE2-CG2 3.44Å; E101-T132 PolarHBondContact OE2-N 2.91Å; E101-T132 PolarHBondContact OE2-OG1 3.44Å
133K89.1Confident91.3Very high133 Ų13376.3 Ų76.358%0.57836%0.361SS*.  trans-157.7124.8175.8-178.9-176.8174-171.60109.8N98 L135N98-K133 HydrophobicContact CB-CB 4.05Å; N98-K133 WeakPolarHBondContact CB-O 3.4Å; K133-L135 PolarHBondContact O-N 2.87Å
134K90.4Very high91.3Very high134 Ų13476.3 Ų76.358%0.58336%0.361SS*.PPolyproline II helixtrans-59.6135.8174.5-58-171.3-178.8-146.80111D128D128-K134 WeakPolarHBondContact O-CD 3.45Å; D128-K134 WeakPolarHBondContact O-CE 3.18Å; D128-K134 PolarHBondContact O-NZ 3.48Å
135L91.3Very high91.5Very high10 Ų1080 Ų805%0.05238%0.381CS..PPolyproline II helixtrans-100.8135174.5-73.4169.7000109N98 L102 A127 L130 K133 E139 T140 V143N98-L135 VanDerWaalsContact ND2-CD2 3.25Å; N98-L135 WeakPolarHBondContact ND2-CD2 3.3Å; L102-L135 HydrophobicContact CB-CD1 4.3Å; L102-L135 HydrophobicContact CD2-CD1 3.91Å; A127-L135 HydrophobicContact CB-CB 4.35Å; A127-L135 PolarHBondContact O-N 3.01Å; L130-L135 HydrophobicContact CD1-CB 4.28Å; L130-L135 HydrophobicContact CD1-CD1 3.84Å; L130-L135 HydrophobicContact CD1-CG 3.98Å; K133-L135 PolarHBondContact O-N 2.87Å; L135-E139 HydrophobicContact CB-CB 4.48Å; L135-E139 HydrophobicContact CD2-CB 4Å; L135-T140 WeakPolarHBondContact CB-OG1 3.13Å; L135-V143 HydrophobicContact CD1-CG2 4.43Å
136K93.2Very high91.6Very high154 Ų15478.6 Ų78.667%0.6737%0.368SS*.PPolyproline II helixtrans-69.6152.9170-65176.2-178.4172.40109.3R138 E139 T140K136-R138 VanDerWaalsContact C-N 3.28Å; K136-R138 PolarHBondContact O-N 3.46Å; K136-R138 VanDerWaalsContact O-N 3.1Å; K136-E139 HydrophobicContact CB-CG 4.19Å; K136-E139 PolarHBondContact N-OE2 2.87Å; K136-E139 CarbonylContact O-C 3.58Å; K136-E139 WeakPolarHBondContact O-CA 3.36Å; K136-E139 WeakPolarHBondContact O-CB 3.24Å; K136-E139 PolarHBondContact O-N 3.19Å; K136-T140 PolarHBondContact O-N 2.83Å; K136-T140 PolarHBondContact O-OG1 3.46Å
137K92.8Very high91.9Very high124 Ų12477.4 Ų77.454%0.53936%0.36SS..Hα-helixtrans-45.6-48.2179.1-63.8-169.9176.8-170.40114.3L124 E139 T140 E141L124-K137 HydrophobicContact CD2-CB 3.99Å; L124-K137 HydrophobicContact CD2-CG 4.22Å; K137-E139 VanDerWaalsContact C-N 3.33Å; K137-E139 PolarHBondContact O-N 3.03Å; K137-T140 WeakPolarHBondContact O-CB 3.18Å; K137-T140 PolarHBondContact O-N 3.14Å; K137-E141 WeakPolarHBondContact O-CG 3.4Å; K137-E141 PolarHBondContact O-N 3.08Å
138R94.3Very high92.3Very high212 Ų21279 Ų7980%0.837%0.369SS*.Hα-helixtrans-64.4-34.5177.6-174178.8176.5-174.5-0.7113.4K136 H142K136-R138 VanDerWaalsContact C-N 3.28Å; K136-R138 PolarHBondContact O-N 3.46Å; K136-R138 VanDerWaalsContact O-N 3.1Å; R138-H142 WeakPolarHBondContact O-CB 3.26Å; R138-H142 PolarHBondContact O-N 2.66Å; R138-H142 VanDerWaalsContact O-N 3.14Å
139E94.8Very high92.9Very high82 Ų8282 Ų8238%0.38338%0.38SS..Hα-helixtrans-70.9-43.5175.7-62169.8161.500109.8L135 K136 K137 E141 H142 V143L135-E139 HydrophobicContact CB-CB 4.48Å; L135-E139 HydrophobicContact CD2-CB 4Å; K136-E139 HydrophobicContact CB-CG 4.19Å; K136-E139 PolarHBondContact N-OE2 2.87Å; K136-E139 CarbonylContact O-C 3.58Å; K136-E139 WeakPolarHBondContact O-CA 3.36Å; K136-E139 WeakPolarHBondContact O-CB 3.24Å; K136-E139 PolarHBondContact O-N 3.19Å; K137-E139 VanDerWaalsContact C-N 3.33Å; K137-E139 PolarHBondContact O-N 3.03Å; E139-E141 PolarHBondContact O-N 3.44Å; E139-H142 WeakPolarHBondContact O-CB 3.13Å; E139-H142 PolarHBondContact O-N 2.94Å; E139-H142 VanDerWaalsContact O-N 3.11Å; E139-V143 WeakPolarHBondContact O-CG2 3.3Å; E139-V143 PolarHBondContact O-N 3.18Å
140T95.5Very high93.2Very high0 Ų081.2 Ų81.20%037%0.372CS..Hα-helixtrans-57.8-47.9174.5-50.20000111.9L102 L124 A127 L135 K136 K137 H142 V143 L144L102-T140 HydrophobicContact CD1-CG2 3.96Å; L102-T140 HydrophobicContact CD2-CG2 3.68Å; L102-T140 HydrophobicContact CG-CG2 4.47Å; L124-T140 HydrophobicContact CD2-CG2 3.75Å; L124-T140 HydrophobicContact CG-CG2 4.48Å; A127-T140 HydrophobicContact CB-CG2 3.92Å; A127-T140 VanDerWaalsContact CB-OG1 3.24Å; A127-T140 WeakPolarHBondContact CB-OG1 3.47Å; L135-T140 WeakPolarHBondContact CB-OG1 3.13Å; K136-T140 PolarHBondContact O-N 2.83Å; K136-T140 PolarHBondContact O-OG1 3.46Å; K137-T140 WeakPolarHBondContact O-CB 3.18Å; K137-T140 PolarHBondContact O-N 3.14Å; T140-H142 VanDerWaalsContact C-N 3.27Å; T140-H142 PolarHBondContact O-N 3.29Å; T140-V143 PolarHBondContact O-N 3.13Å; T140-L144 HydrophobicContact CG2-CD1 4.47Å; T140-L144 WeakPolarHBondContact O-CG 3.46Å; T140-L144 PolarHBondContact O-N 3.01Å
141E96.1Very high93.3Very high92 Ų9285.6 Ų85.643%0.4339%0.39SS..Hα-helixtrans-58.9-39.3174.9-73.5168-178.100111.7L124 K137 E139 L144 N145L124-E141 HydrophobicContact CD2-CG 4.28Å; K137-E141 WeakPolarHBondContact O-CG 3.4Å; K137-E141 PolarHBondContact O-N 3.08Å; E139-E141 PolarHBondContact O-N 3.44Å; E141-L144 PolarHBondContact O-N 3.45Å; E141-N145 WeakPolarHBondContact O-CB 3.26Å; E141-N145 PolarHBondContact O-N 3.49Å; E141-N145 PolarHBondContact O-ND2 3.3Å
142H96.6Very high93.7Very high116 Ų11677.9 Ų77.954%0.53735%0.354SS..Hα-helixtrans-64.7-42.9176.3-176.164.7000112R138 E139 T140 N145 R146R138-H142 WeakPolarHBondContact O-CB 3.26Å; R138-H142 PolarHBondContact O-N 2.66Å; R138-H142 VanDerWaalsContact O-N 3.14Å; E139-H142 WeakPolarHBondContact O-CB 3.13Å; E139-H142 PolarHBondContact O-N 2.94Å; E139-H142 VanDerWaalsContact O-N 3.11Å; T140-H142 VanDerWaalsContact C-N 3.27Å; T140-H142 PolarHBondContact O-N 3.29Å; H142-N145 PolarHBondContact O-N 3.24Å; H142-R146 PolarHBondContact O-N 3.38Å
143V96.7Very high94.3Very high3 Ų374.2 Ų74.22%0.01833%0.331CS..Hα-helixtrans-63-44.5176.2176.80000110.9E99 L102 L135 E139 T140 N145 R146 L147E99-V143 HydrophobicContact CB-CG1 4.01Å; E99-V143 HydrophobicContact CB-CG2 4.49Å; E99-V143 HydrophobicContact CG-CG1 4.22Å; E99-V143 HydrophobicContact CG-CG2 3.8Å; L102-V143 HydrophobicContact CD2-CB 4.12Å; L102-V143 HydrophobicContact CD2-CG1 3.89Å; L135-V143 HydrophobicContact CD1-CG2 4.43Å; E139-V143 WeakPolarHBondContact O-CG2 3.3Å; E139-V143 PolarHBondContact O-N 3.18Å; T140-V143 PolarHBondContact O-N 3.13Å; V143-N145 PolarHBondContact O-N 3.02Å; V143-R146 WeakPolarHBondContact O-CB 3.3Å; V143-R146 PolarHBondContact O-N 2.96Å; V143-L147 HydrophobicContact CG1-CD1 3.99Å; V143-L147 HydrophobicContact CG1-CG 4.36Å; V143-L147 WeakPolarHBondContact O-CG 3.25Å; V143-L147 PolarHBondContact O-N 3.35Å
144L97.6Very high94.7Very high1 Ų169.6 Ų69.61%0.00531%0.313CS..Hα-helixtrans-59.8-44.1176.4-72.9174.9000112.3I123 T140 E141 R146 L147 V148 L153 Y160I123-L144 HydrophobicContact CB-CD1 4.48Å; I123-L144 HydrophobicContact CD1-CD1 4.47Å; I123-L144 HydrophobicContact CD1-CD2 4.28Å; I123-L144 HydrophobicContact CG2-CD1 4.02Å; I123-L144 HydrophobicContact CG2-CD2 4.11Å; I123-L144 HydrophobicContact CG2-CG 4.49Å; T140-L144 HydrophobicContact CG2-CD1 4.47Å; T140-L144 WeakPolarHBondContact O-CG 3.46Å; T140-L144 PolarHBondContact O-N 3.01Å; E141-L144 PolarHBondContact O-N 3.45Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 2.94Å; L144-L147 HydrophobicContact CD2-CD1 4.38Å; L144-L147 PolarHBondContact O-N 3.49Å; L144-V148 WeakPolarHBondContact O-CG2 3.23Å; L144-V148 PolarHBondContact O-N 2.89Å; L144-L153 HydrophobicContact CD2-CD1 3.86Å; L144-Y160 HydrophobicContact CB-CE1 3.87Å; L144-Y160 HydrophobicContact CD1-CE1 4.41Å; L144-Y160 HydrophobicContact CD1-CE2 4.02Å; L144-Y160 HydrophobicContact CD2-CD1 4.31Å; L144-Y160 HydrophobicContact CD2-CE1 4.16Å; L144-Y160 HydrophobicContact CG-CE1 4.38Å
145N97.3Very high95Very high96 Ų9667.6 Ų67.651%0.51331%0.306SS..Hα-helixtrans-61.2-40.6175.4-76.6-53.5000112.3E141 H142 V143 V148 Q149E141-N145 WeakPolarHBondContact O-CB 3.26Å; E141-N145 PolarHBondContact O-N 3.49Å; E141-N145 PolarHBondContact O-ND2 3.3Å; H142-N145 PolarHBondContact O-N 3.24Å; V143-N145 PolarHBondContact O-N 3.02Å; N145-V148 PolarHBondContact O-N 2.9Å; N145-Q149 WeakPolarHBondContact O-CB 3.35Å; N145-Q149 PolarHBondContact O-N 3.07Å
146R96.6Very high95.2Very high70 Ų7072.9 Ų72.926%0.26433%0.328SS..Hα-helixtrans-64-44.6174.5-76.4-171.560.6-155.6-8.5111.9D94 E99 H142 V143 L144 V148 Q149 D150D94-R146 PolarHBondContact O-NH2 3.18Å; E99-R146 IonicContact OE1-NH1 3.38Å; H142-R146 PolarHBondContact O-N 3.38Å; V143-R146 WeakPolarHBondContact O-CB 3.3Å; V143-R146 PolarHBondContact O-N 2.96Å; L144-R146 VanDerWaalsContact C-N 3.32Å; L144-R146 PolarHBondContact O-N 2.94Å; R146-V148 PolarHBondContact O-N 3.21Å; R146-Q149 WeakPolarHBondContact O-CB 3.48Å; R146-Q149 PolarHBondContact O-N 3.49Å; R146-Q149 VanDerWaalsContact O-N 3.12Å; R146-D150 WeakPolarHBondContact O-CB 3.47Å; R146-D150 PolarHBondContact O-N 2.81Å
147L96.1Very high95.3Very high0 Ų072.7 Ų72.70%034%0.335CS..Hα-helixtrans-59.1-35.1175.9-71.5166.9000111.9M91 Y95 F103 V143 L144 K151 W152 L153M91-L147 HydrophobicContact CE-CD2 3.39Å; Y95-L147 HydrophobicContact CD1-CD2 4.42Å; Y95-L147 HydrophobicContact CE1-CD2 3.67Å; Y95-L147 HydrophobicContact CE1-CG 4.03Å; Y95-L147 HydrophobicContact CE2-CD2 4.43Å; F103-L147 HydrophobicContact CB-CD1 4.43Å; F103-L147 HydrophobicContact CD2-CD1 4.05Å; F103-L147 HydrophobicContact CD2-CD2 3.94Å; F103-L147 HydrophobicContact CE2-CD2 4.5Å; F103-L147 HydrophobicContact CG-CD2 4.47Å; V143-L147 HydrophobicContact CG1-CD1 3.99Å; V143-L147 HydrophobicContact CG1-CG 4.36Å; V143-L147 WeakPolarHBondContact O-CG 3.25Å; V143-L147 PolarHBondContact O-N 3.35Å; L144-L147 HydrophobicContact CD2-CD1 4.38Å; L144-L147 PolarHBondContact O-N 3.49Å; L147-K151 PolarHBondContact O-N 2.88Å; L147-W152 HydrophobicContact CB-CB 4.34Å; L147-W152 HydrophobicContact CD2-CB 3.93Å; L147-W152 HydrophobicContact CD2-CG 4.17Å; L147-W152 WeakPolarHBondContact O-CA 3.35Å; L147-W152 WeakPolarHBondContact O-CB 3.5Å; L147-W152 PolarHBondContact O-N 3.32Å; L147-L153 HydrophobicContact CB-CB 4.43Å; L147-L153 HydrophobicContact CB-CD1 3.91Å; L147-L153 HydrophobicContact CB-CG 4.07Å; L147-L153 HydrophobicContact CD1-CD1 3.91Å; L147-L153 PolarHBondContact O-N 2.83Å; L147-L153 VanDerWaalsContact O-N 3.12Å
148V96.3Very high95.4Very high34 Ų3467.7 Ų67.721%0.20632%0.319CS..Hα-helixtrans-72.5-43173.7174.10000112.1L144 N145 R146 D150 K151 L153 E155 Y160L144-V148 WeakPolarHBondContact O-CG2 3.23Å; L144-V148 PolarHBondContact O-N 2.89Å; N145-V148 PolarHBondContact O-N 2.9Å; R146-V148 PolarHBondContact O-N 3.21Å; V148-D150 VanDerWaalsContact C-N 3.31Å; V148-D150 PolarHBondContact O-N 3.16Å; V148-K151 PolarHBondContact O-N 3.05Å; V148-K151 VanDerWaalsContact O-N 3.14Å; V148-L153 WeakPolarHBondContact CA-O 3.37Å; V148-L153 HydrophobicContact CG2-CB 4.03Å; V148-E155 HydrophobicContact CG2-CB 3.93Å; V148-Y160 HydrophobicContact CG2-CD1 4.16Å; V148-Y160 HydrophobicContact CG2-CE1 3.86Å
149Q93.6Very high95.6Very high146 Ų14660.7 Ų60.768%0.68230%0.297SS*.Hα-helixtrans-59.6-44.6177.1-177.8175.57.700111.2N145 R146 K151N145-Q149 WeakPolarHBondContact O-CB 3.35Å; N145-Q149 PolarHBondContact O-N 3.07Å; R146-Q149 WeakPolarHBondContact O-CB 3.48Å; R146-Q149 PolarHBondContact O-N 3.49Å; R146-Q149 VanDerWaalsContact O-N 3.12Å; Q149-K151 PolarHBondContact O-N 3.32Å
150D90.8Very high95.7Very high47 Ų4757.6 Ų57.625%0.25128%0.282SS..THydrogen-bonded Turntrans-79.32.7-179.5-65.4-14.5000112.7Y95 R146 V148 W152 R165Y95-D150 PolarHBondContact OH-OD2 3.48Å; R146-D150 WeakPolarHBondContact O-CB 3.47Å; R146-D150 PolarHBondContact O-N 2.81Å; V148-D150 VanDerWaalsContact C-N 3.31Å; V148-D150 PolarHBondContact O-N 3.16Å; D150-W152 VanDerWaalsContact C-N 3.35Å; D150-W152 PolarHBondContact O-N 3.39Å; D150-R165 PolarHBondContact O-NH1 2.89Å
151K91.7Very high95.8Very high98 Ų9858 Ų5843%0.42629%0.285SS..THydrogen-bonded Turntrans59.843.3178.4-48.3-60.4172.3-164.20112.3L147 V148 Q149 S163 R165L147-K151 PolarHBondContact O-N 2.88Å; V148-K151 PolarHBondContact O-N 3.05Å; V148-K151 VanDerWaalsContact O-N 3.14Å; Q149-K151 PolarHBondContact O-N 3.32Å; K151-S163 VanDerWaalsContact C-OG 3.32Å; K151-S163 PolarHBondContact O-OG 3.04Å; K151-R165 HydrophobicContact CB-CB 4.37Å; K151-R165 WeakPolarHBondContact O-CB 3.17Å; K151-R165 WeakPolarHBondContact O-CD 3.08Å
152W93.6Very high95.8Very high6 Ų654.1 Ų54.12%0.02327%0.267CS..SBendtrans-92-45.3163-65.2113.9000110.1R90 M91 Y95 F103 L147 D150 S163 C166 E169 M170R90-W152 HydrophobicContact CB-CZ2 4.47Å; M91-W152 HydrophobicContact CE-CB 4.38Å; M91-W152 HydrophobicContact CE-CD2 4.06Å; M91-W152 HydrophobicContact CE-CG 3.87Å; M91-W152 HydrophobicContact CG-CD2 3.88Å; M91-W152 VanDerWaalsContact CG-CE2 3.4Å; M91-W152 HydrophobicContact CG-CE3 4.23Å; M91-W152 HydrophobicContact CG-CH2 3.77Å; M91-W152 HydrophobicContact CG-CZ2 3.35Å; M91-W152 HydrophobicContact CG-CZ3 4.19Å; M91-W152 HydrophobicContact SD-CD2 3.67Å; M91-W152 HydrophobicContact SD-CE3 3.8Å; M91-W152 HydrophobicContact SD-CG 4.13Å; M91-W152 HydrophobicContact SD-CH2 4.32Å; M91-W152 HydrophobicContact SD-CZ2 4.21Å; M91-W152 HydrophobicContact SD-CZ3 4.13Å; Y95-W152 AromaticContact CE2-NE1 3.89Å; F103-W152 HydrophobicContact CE2-CB 4.2Å; L147-W152 HydrophobicContact CB-CB 4.34Å; L147-W152 HydrophobicContact CD2-CB 3.93Å; L147-W152 HydrophobicContact CD2-CG 4.17Å; L147-W152 WeakPolarHBondContact O-CA 3.35Å; L147-W152 WeakPolarHBondContact O-CB 3.5Å; L147-W152 PolarHBondContact O-N 3.32Å; D150-W152 VanDerWaalsContact C-N 3.35Å; D150-W152 PolarHBondContact O-N 3.39Å; W152-S163 VanDerWaalsContact C-OG 3.28Å; W152-S163 WeakPolarHBondContact O-CB 3.25Å; W152-S163 PolarHBondContact O-N 3.43Å; W152-S163 PolarHBondContact O-OG 3.26Å; W152-C166 HydrophobicContact CE3-CB 3.95Å; W152-C166 WeakPolarHBondContact O-CB 3.48Å; W152-E169 WeakPolarHBondContact CH2-OE2 3.36Å; W152-E169 HydrophobicContact CZ3-CB 4.29Å; W152-M170 HydrophobicContact CZ3-SD 4.32Å
153L96.4Very high95.7Very high0 Ų048.8 Ų48.80%024%0.243CC..EExtended strand (participates in β ladder)trans-112.8158.1176.8-61.2176.9000111.8F103 T106 I110 L144 L147 V148 Y160 S161 L162F103-L153 HydrophobicContact CE2-CD2 4.02Å; F103-L153 HydrophobicContact CE2-CG 4.33Å; T106-L153 HydrophobicContact CG2-CD1 4.12Å; T106-L153 HydrophobicContact CG2-CD2 4.36Å; I110-L153 HydrophobicContact CD1-CD2 4.2Å; L144-L153 HydrophobicContact CD2-CD1 3.86Å; L147-L153 HydrophobicContact CB-CB 4.43Å; L147-L153 HydrophobicContact CB-CD1 3.91Å; L147-L153 HydrophobicContact CB-CG 4.07Å; L147-L153 HydrophobicContact CD1-CD1 3.91Å; L147-L153 PolarHBondContact O-N 2.83Å; L147-L153 VanDerWaalsContact O-N 3.12Å; V148-L153 WeakPolarHBondContact CA-O 3.37Å; V148-L153 HydrophobicContact CG2-CB 4.03Å; L153-Y160 HydrophobicContact CB-CD1 4.25Å; L153-Y160 HydrophobicContact CD1-CD1 3.99Å; L153-S161 CarbonylContact C-O 3.57Å; L153-S161 VanDerWaalsContact CA-O 3.3Å; L153-S161 WeakPolarHBondContact CA-O 3.42Å; L153-S161 WeakPolarHBondContact CD2-O 3.42Å; L153-L162 HydrophobicContact CD2-CD2 3.62Å
154N96.4Very high95.6Very high36 Ų3649.3 Ų49.319%0.19325%0.246CC..EExtended strand (participates in β ladder)trans-107.7146.6159.6-65.8-27.9000108.2Y160 S161N154-Y160 VanDerWaalsContact O-CA 3.25Å; N154-Y160 WeakPolarHBondContact O-CA 3.32Å; N154-S161 PolarHBondContact N-O 3.24Å; N154-S161 PolarHBondContact O-N 3.41Å
155E96.9Very high95.3Very high92 Ų9250.5 Ų50.543%0.4325%0.251SS..EExtended strand (participates in β ladder)trans-120.8136.7173.7-176.8-80.4142.200109.4V148 N157 G158 D159 Y160V148-E155 HydrophobicContact CG2-CB 3.93Å; E155-N157 PolarHBondContact OE1-N 3.11Å; E155-N157 VanDerWaalsContact OE1-N 3.11Å; E155-G158 PolarHBondContact OE1-N 2.92Å; E155-D159 CarbonylContact C-O 3.52Å; E155-D159 WeakPolarHBondContact CA-O 3.45Å; E155-Y160 HydrophobicContact CB-CD1 4.03Å; E155-Y160 HydrophobicContact CB-CE1 3.77Å; E155-Y160 HydrophobicContact CG-CD1 4.32Å; E155-Y160 HydrophobicContact CG-CE1 3.82Å; E155-Y160 HydrophobicContact CG-CE2 4.19Å
156K95.7Very high95.1Very high121 Ų12146 Ų4653%0.52623%0.226SC..EExtended strand (participates in β ladder)trans-148.9115175.2-174176-175.1171.60109.9E72 G158 D159E72-K156 IonicContact OE1-NZ 3.74Å; K156-G158 PolarHBondContact O-N 3.12Å; K156-D159 PolarHBondContact N-O 2.79Å; K156-D159 PolarHBondContact O-N 2.89Å
157N95.3Very high94.9Very high150 Ų15043.6 Ų43.680%0.80222%0.219SC*.THydrogen-bonded Turntrans56.732.4176.5-56.5-33.4000114.2E155 D159E155-N157 PolarHBondContact OE1-N 3.11Å; E155-N157 VanDerWaalsContact OE1-N 3.11Å; N157-D159 VanDerWaalsContact C-N 3.35Å
158G95.2Very high94.7Very high20 Ų2044.2 Ų44.221%0.20622%0.222CC..THydrogen-bonded Turntrans87.1-0.6-177.600000114.6S120 E155 K156S120-G158 VanDerWaalsContact CB-O 3.29Å; S120-G158 WeakPolarHBondContact CB-O 3.43Å; S120-G158 PolarHBondContact N-O 2.93Å; S120-G158 PolarHBondContact OG-O 2.78Å; E155-G158 PolarHBondContact OE1-N 2.92Å; K156-G158 PolarHBondContact O-N 3.12Å
159D97.4Very high94.3Very high64 Ų6444 Ų4434%0.34222%0.218SC..EExtended strand (participates in β ladder)trans-101.8141.6173.8-64.9-38.3000111.1S119 E155 K156 N157S119-D159 WeakPolarHBondContact CA-OD1 3.47Å; E155-D159 CarbonylContact C-O 3.52Å; E155-D159 WeakPolarHBondContact CA-O 3.45Å; K156-D159 PolarHBondContact N-O 2.79Å; K156-D159 PolarHBondContact O-N 2.89Å; N157-D159 VanDerWaalsContact C-N 3.35Å
160Y98.1Very high94.1Very high17 Ų1737.6 Ų37.67%0.06719%0.189CC..EExtended strand (participates in β ladder)trans-112.9138.3-177.7-67.9-96.9000111.1T117 A118 I123 L144 V148 L153 N154 E155T117-Y160 CarbonylContact C-O 3.35Å; T117-Y160 WeakPolarHBondContact CA-O 3.45Å; A118-Y160 PolarHBondContact N-O 3.19Å; A118-Y160 PolarHBondContact O-N 3.48Å; I123-Y160 HydrophobicContact CD1-CD2 3.63Å; I123-Y160 HydrophobicContact CD1-CE2 4.39Å; I123-Y160 HydrophobicContact CD1-CG 3.94Å; L144-Y160 HydrophobicContact CB-CE1 3.87Å; L144-Y160 HydrophobicContact CD1-CE1 4.41Å; L144-Y160 HydrophobicContact CD1-CE2 4.02Å; L144-Y160 HydrophobicContact CD2-CD1 4.31Å; L144-Y160 HydrophobicContact CD2-CE1 4.16Å; L144-Y160 HydrophobicContact CG-CE1 4.38Å; V148-Y160 HydrophobicContact CG2-CD1 4.16Å; V148-Y160 HydrophobicContact CG2-CE1 3.86Å; L153-Y160 HydrophobicContact CB-CD1 4.25Å; L153-Y160 HydrophobicContact CD1-CD1 3.99Å; N154-Y160 VanDerWaalsContact O-CA 3.25Å; N154-Y160 WeakPolarHBondContact O-CA 3.32Å; E155-Y160 HydrophobicContact CB-CD1 4.03Å; E155-Y160 HydrophobicContact CB-CE1 3.77Å; E155-Y160 HydrophobicContact CG-CD1 4.32Å; E155-Y160 HydrophobicContact CG-CE1 3.82Å; E155-Y160 HydrophobicContact CG-CE2 4.19Å
161S97.4Very high94Very high10 Ų1036.4 Ų36.47%0.0718%0.182CC..EExtended strand (participates in β ladder)trans-129.9163.2171.654.70000110.6L153 N154 S163L153-S161 CarbonylContact C-O 3.57Å; L153-S161 VanDerWaalsContact CA-O 3.3Å; L153-S161 WeakPolarHBondContact CA-O 3.42Å; L153-S161 WeakPolarHBondContact CD2-O 3.42Å; N154-S161 PolarHBondContact N-O 3.24Å; N154-S161 PolarHBondContact O-N 3.41Å; S161-S163 PolarHBondContact O-N 2.86Å
162L96.1Very high93.7Very high10 Ų1035.3 Ų35.35%0.05218%0.178CC..EExtended strand (participates in β ladder)trans-70130.1171.4-61.4-165.5000109.8F103 M107 I110 L153 C166 I167 I174 L193F103-L162 HydrophobicContact CE2-CD2 4.46Å; M107-L162 HydrophobicContact CG-CD2 4.15Å; I110-L162 HydrophobicContact CD1-CD2 3.76Å; I110-L162 HydrophobicContact CD1-CG 4.18Å; I110-L162 HydrophobicContact CG2-CG 4.33Å; L153-L162 HydrophobicContact CD2-CD2 3.62Å; L162-C166 HydrophobicContact CB-CB 4.46Å; L162-I167 HydrophobicContact CB-CD1 4.18Å; L162-I167 HydrophobicContact CB-CG1 3.82Å; L162-I167 HydrophobicContact CD1-CG1 4.43Å; L162-I174 HydrophobicContact CD1-CD1 3.89Å; L162-L193 HydrophobicContact CB-CD1 4.03Å; L162-L193 HydrophobicContact CD1-CD1 3.65Å; L162-L193 HydrophobicContact CG-CD1 3.92Å
163S94.9Very high93.4Very high3 Ų337 Ų372%0.02119%0.185CC..  trans-67.5160.1173.470.20000111.3K151 W152 S161 R165 C166 I167K151-S163 VanDerWaalsContact C-OG 3.32Å; K151-S163 PolarHBondContact O-OG 3.04Å; W152-S163 VanDerWaalsContact C-OG 3.28Å; W152-S163 WeakPolarHBondContact O-CB 3.25Å; W152-S163 PolarHBondContact O-N 3.43Å; W152-S163 PolarHBondContact O-OG 3.26Å; S161-S163 PolarHBondContact O-N 2.86Å; S163-R165 PolarHBondContact O-N 3.09Å; S163-C166 WeakPolarHBondContact O-CB 3.3Å; S163-C166 PolarHBondContact O-N 2.88Å; S163-C166 VanDerWaalsContact O-N 3.13Å; S163-C166 WeakPolarHBondContact OG-CB 3.36Å; S163-C166 PolarHBondContact OG-N 2.89Å; S163-C166 VanDerWaalsContact OG-N 3.15Å; S163-I167 WeakPolarHBondContact O-CG1 3.38Å; S163-I167 PolarHBondContact O-N 2.75Å
164T94.5Very high93.1Very high15 Ų1537 Ų379%0.09219%0.185CC..Hα-helixtrans-57.4-37.8174.6-45.40000112.2I21 S70 Y77 I167 M168I21-T164 HydrophobicContact CD1-CG2 4.22Å; S70-T164 VanDerWaalsContact CA-OG1 3.28Å; S70-T164 WeakPolarHBondContact CA-OG1 3.35Å; S70-T164 WeakPolarHBondContact CB-OG1 3.27Å; S70-T164 PolarHBondContact OG-OG1 3.11Å; Y77-T164 HydrophobicContact CD2-CG2 4.27Å; T164-I167 PolarHBondContact O-N 2.74Å; T164-M168 HydrophobicContact CG2-CG 4.42Å; T164-M168 HydrophobicContact CG2-SD 3.96Å; T164-M168 WeakPolarHBondContact O-CB 3.03Å; T164-M168 WeakPolarHBondContact O-CG 3.36Å; T164-M168 PolarHBondContact O-N 3.38Å
165R91.7Very high92.8Very high26 Ų2639.5 Ų39.510%0.09819%0.192CC..Hα-helixtrans-61.3-48.8176.7175.9-175.2177.2-160.8-9.9110.7I21 D150 K151 S163 I167 M168 E169I21-R165 HydrophobicContact CB-CB 4.2Å; I21-R165 HydrophobicContact CD1-CB 3.8Å; I21-R165 HydrophobicContact CG2-CB 4.16Å; D150-R165 PolarHBondContact O-NH1 2.89Å; K151-R165 HydrophobicContact CB-CB 4.37Å; K151-R165 WeakPolarHBondContact O-CB 3.17Å; K151-R165 WeakPolarHBondContact O-CD 3.08Å; S163-R165 PolarHBondContact O-N 3.09Å; R165-I167 PolarHBondContact O-N 3.21Å; R165-M168 PolarHBondContact O-N 3.42Å; R165-E169 HydrophobicContact CG-CG 4.4Å; R165-E169 WeakPolarHBondContact CG-OE1 3.37Å; R165-E169 IonicContact CZ-OE1 3.06Å; R165-E169 IonicContact NE-OE1 3.37Å; R165-E169 PolarHBondContact NE-OE1 3.46Å; R165-E169 IonicContact NH2-OE1 3.66Å; R165-E169 PolarHBondContact NH2-OE1 3.4Å; R165-E169 WeakPolarHBondContact O-CB 3.21Å; R165-E169 WeakPolarHBondContact O-CG 3.29Å; R165-E169 PolarHBondContact O-N 3.32Å
166C92.6Very high92.4Very high0 Ų040.7 Ų40.70%020%0.199CC..Hα-helixtrans-58.2-49.2178.1-177.40000111.9W152 L162 S163 M168 E169 M170W152-C166 HydrophobicContact CE3-CB 3.95Å; W152-C166 WeakPolarHBondContact O-CB 3.48Å; L162-C166 HydrophobicContact CB-CB 4.46Å; S163-C166 WeakPolarHBondContact O-CB 3.3Å; S163-C166 PolarHBondContact O-N 2.88Å; S163-C166 VanDerWaalsContact O-N 3.13Å; S163-C166 WeakPolarHBondContact OG-CB 3.36Å; S163-C166 PolarHBondContact OG-N 2.89Å; S163-C166 VanDerWaalsContact OG-N 3.15Å; C166-M168 VanDerWaalsContact C-N 3.3Å; C166-M168 PolarHBondContact O-N 3.35Å; C166-E169 PolarHBondContact O-N 3.17Å; C166-M170 WeakPolarHBondContact O-CB 3.32Å; C166-M170 PolarHBondContact O-N 2.92Å
167I93.1Very high92.1Very high21 Ų2139 Ų3911%0.10819%0.194CC..Hα-helixtrans-61-42.2-180-62.2168.1000110.5E71 L162 S163 T164 R165 E171 V191 L193E71-I167 HydrophobicContact CG-CD1 4.31Å; L162-I167 HydrophobicContact CB-CD1 4.18Å; L162-I167 HydrophobicContact CB-CG1 3.82Å; L162-I167 HydrophobicContact CD1-CG1 4.43Å; S163-I167 WeakPolarHBondContact O-CG1 3.38Å; S163-I167 PolarHBondContact O-N 2.75Å; T164-I167 PolarHBondContact O-N 2.74Å; R165-I167 PolarHBondContact O-N 3.21Å; I167-E171 VanDerWaalsContact O-CA 3.29Å; I167-E171 WeakPolarHBondContact O-CA 3.22Å; I167-E171 VanDerWaalsContact O-CB 3.27Å; I167-E171 WeakPolarHBondContact O-CB 3.28Å; I167-E171 PolarHBondContact O-N 3.24Å; I167-V191 HydrophobicContact CG2-CB 4.44Å; I167-V191 HydrophobicContact CG2-CG1 4.48Å; I167-L193 HydrophobicContact CD1-CD1 4.12Å; I167-L193 HydrophobicContact CG1-CD1 4.23Å
168M91.1Very high91.9Very high12 Ų1232.4 Ų32.46%0.05916%0.159CC..Hα-helixtrans-66.7-42178.3-71.7174.371.500113I21 R66 A79 V81 T164 R165 C166I21-M168 HydrophobicContact CD1-SD 4.33Å; R66-M168 HydrophobicContact CB-CE 3.84Å; R66-M168 WeakPolarHBondContact O-CE 3.33Å; A79-M168 HydrophobicContact CB-CE 3.74Å; A79-M168 HydrophobicContact CB-SD 4.09Å; V81-M168 WeakPolarHBondContact CG1-O 3.42Å; V81-M168 HydrophobicContact CG2-CB 4.05Å; V81-M168 HydrophobicContact CG2-CE 4.48Å; T164-M168 HydrophobicContact CG2-CG 4.42Å; T164-M168 HydrophobicContact CG2-SD 3.96Å; T164-M168 WeakPolarHBondContact O-CB 3.03Å; T164-M168 WeakPolarHBondContact O-CG 3.36Å; T164-M168 PolarHBondContact O-N 3.38Å; R165-M168 PolarHBondContact O-N 3.42Å; C166-M168 VanDerWaalsContact C-N 3.3Å; C166-M168 PolarHBondContact O-N 3.35Å
169E88.6Confident91.6Very high29 Ų2937.7 Ų37.714%0.13618%0.178CC..Hα-helixtrans-74.6-33.7-179-73.7-166.4-143.300112.7V81 R90 W152 R165 C166V81-E169 HydrophobicContact CG2-CG 4.29Å; R90-E169 WeakPolarHBondContact CD-OE2 3.47Å; W152-E169 WeakPolarHBondContact CH2-OE2 3.36Å; W152-E169 HydrophobicContact CZ3-CB 4.29Å; R165-E169 HydrophobicContact CG-CG 4.4Å; R165-E169 WeakPolarHBondContact CG-OE1 3.37Å; R165-E169 IonicContact CZ-OE1 3.06Å; R165-E169 IonicContact NE-OE1 3.37Å; R165-E169 PolarHBondContact NE-OE1 3.46Å; R165-E169 IonicContact NH2-OE1 3.66Å; R165-E169 PolarHBondContact NH2-OE1 3.4Å; R165-E169 WeakPolarHBondContact O-CB 3.21Å; R165-E169 WeakPolarHBondContact O-CG 3.29Å; R165-E169 PolarHBondContact O-N 3.32Å; C166-E169 PolarHBondContact O-N 3.17Å
170M88.2Confident91.1Very high13 Ų1340.6 Ų40.66%0.06419%0.193CC..Hα-helixtrans-110.312.1-172.5-59.6-176.263.300113.5V88 M91 F103 M107 W152 C166 Q172 Y173 I174V88-M170 HydrophobicContact CG2-CE 4Å; M91-M170 HydrophobicContact SD-SD 4.32Å; F103-M170 HydrophobicContact CE1-CE 4.03Å; F103-M170 HydrophobicContact CE1-SD 3.86Å; F103-M170 HydrophobicContact CZ-SD 4.16Å; M107-M170 HydrophobicContact CE-CE 4.46Å; M107-M170 HydrophobicContact SD-CE 4.07Å; W152-M170 HydrophobicContact CZ3-SD 4.32Å; C166-M170 WeakPolarHBondContact O-CB 3.32Å; C166-M170 PolarHBondContact O-N 2.92Å; M170-Q172 VanDerWaalsContact C-N 3.29Å; M170-Q172 PolarHBondContact O-N 3.38Å; M170-Y173 HydrophobicContact CE-CD1 3.53Å; M170-Y173 HydrophobicContact CE-CE1 3.87Å; M170-Y173 HydrophobicContact CE-CG 4.26Å; M170-Y173 WeakPolarHBondContact O-CB 3.31Å; M170-Y173 PolarHBondContact O-N 3.29Å; M170-I174 HydrophobicContact CB-CD1 4.03Å; M170-I174 HydrophobicContact CB-CG1 4.18Å; M170-I174 WeakPolarHBondContact O-CG1 3.45Å; M170-I174 PolarHBondContact O-N 2.99Å
171E88.4Confident90.5Very high22 Ų2244.2 Ų44.210%0.10321%0.211CC..Hα-helixtrans-51.9-47.1-173.1-163.6-172.9164.800112.5R66 I167 R175 V191R66-E171 IonicContact CZ-OE2 3.99Å; R66-E171 IonicContact NH1-OE2 3.2Å; R66-E171 PolarHBondContact NH1-OE2 3.26Å; R66-E171 IonicContact NH2-OE2 2.98Å; R66-E171 PolarHBondContact NH2-OE2 3.4Å; I167-E171 VanDerWaalsContact O-CA 3.29Å; I167-E171 WeakPolarHBondContact O-CA 3.22Å; I167-E171 VanDerWaalsContact O-CB 3.27Å; I167-E171 WeakPolarHBondContact O-CB 3.28Å; I167-E171 PolarHBondContact O-N 3.24Å; E171-R175 WeakPolarHBondContact O-CB 3.4Å; E171-R175 WeakPolarHBondContact O-CD 3.42Å; E171-R175 WeakPolarHBondContact O-CG 3.26Å; E171-R175 PolarHBondContact O-N 2.86Å; E171-R175 IonicContact OE1-CZ 2.89Å; E171-R175 IonicContact OE1-NE 3.55Å; E171-R175 PolarHBondContact OE1-NE 2.93Å; E171-R175 IonicContact OE1-NH2 2.57Å; E171-R175 PolarHBondContact OE1-NH2 3.34Å; E171-V191 HydrophobicContact CG-CB 4.42Å; E171-V191 HydrophobicContact CG-CG2 3.76Å
172Q86.2Confident89.9Confident74 Ų7444.5 Ų44.535%0.34621%0.212SC..Hα-helixtrans-65.1-44.9179.6-69.7177.5-16.400111.8M83 M170 R175 M176M83-Q172 PolarHBondContact O-OE1 3.1Å; M170-Q172 VanDerWaalsContact C-N 3.29Å; M170-Q172 PolarHBondContact O-N 3.38Å; Q172-R175 PolarHBondContact O-N 3.45Å; Q172-M176 WeakPolarHBondContact O-CB 3.36Å; Q172-M176 PolarHBondContact O-N 3.4Å
173Y87.2Confident89.5Confident42 Ų4248.8 Ų48.817%0.16523%0.23CC..Hα-helixtrans-61.8-45.8177.7175.9-91.9000111.7D87 V88 M107 M170 R175 M176 L177D87-Y173 VanDerWaalsContact OD1-CE2 3.31Å; D87-Y173 WeakPolarHBondContact OD1-CE2 3.33Å; V88-Y173 HydrophobicContact CG2-CE2 4.43Å; M107-Y173 HydrophobicContact CE-CD1 4.46Å; M107-Y173 HydrophobicContact CE-CE1 3.67Å; M170-Y173 HydrophobicContact CE-CD1 3.53Å; M170-Y173 HydrophobicContact CE-CE1 3.87Å; M170-Y173 HydrophobicContact CE-CG 4.26Å; M170-Y173 WeakPolarHBondContact O-CB 3.31Å; M170-Y173 PolarHBondContact O-N 3.29Å; Y173-R175 VanDerWaalsContact C-N 3.34Å; Y173-R175 PolarHBondContact O-N 3.43Å; Y173-M176 PolarHBondContact O-N 3.42Å; Y173-L177 HydrophobicContact CE1-CB 4.43Å; Y173-L177 HydrophobicContact CE1-CD2 3.63Å; Y173-L177 WeakPolarHBondContact O-CB 3.46Å; Y173-L177 PolarHBondContact O-N 2.88Å; Y173-L177 WeakPolarHBondContact OH-CD2 3.48Å
174I90.6Very high89.4Confident1 Ų151.1 Ų51.11%0.00524%0.244CC..Hα-helixtrans-60.2-45.1177.5-67.8166.8000110.3L162 M170 M176 Y178 V182 V191L162-I174 HydrophobicContact CD1-CD1 3.89Å; M170-I174 HydrophobicContact CB-CD1 4.03Å; M170-I174 HydrophobicContact CB-CG1 4.18Å; M170-I174 WeakPolarHBondContact O-CG1 3.45Å; M170-I174 PolarHBondContact O-N 2.99Å; I174-M176 VanDerWaalsContact C-N 3.32Å; I174-M176 PolarHBondContact O-N 3.49Å; I174-Y178 HydrophobicContact CG2-CD2 4.05Å; I174-Y178 WeakPolarHBondContact O-CB 3.35Å; I174-Y178 WeakPolarHBondContact O-CD2 3.25Å; I174-Y178 PolarHBondContact O-N 3.26Å; I174-V182 HydrophobicContact CG2-CG1 4.22Å; I174-V182 HydrophobicContact CG2-CG2 4.07Å; I174-V191 HydrophobicContact CG2-CG1 4.21Å
175R90.1Very high89.5Confident88 Ų8850.4 Ų50.433%0.33224%0.24SC..Hα-helixtrans-61.8-39.5177.9-73.8168.9178.4-803.6112.4E171 Q172 Y173 Q179 V184 H189 V191E171-R175 WeakPolarHBondContact O-CB 3.4Å; E171-R175 WeakPolarHBondContact O-CD 3.42Å; E171-R175 WeakPolarHBondContact O-CG 3.26Å; E171-R175 PolarHBondContact O-N 2.86Å; E171-R175 IonicContact OE1-CZ 2.89Å; E171-R175 IonicContact OE1-NE 3.55Å; E171-R175 PolarHBondContact OE1-NE 2.93Å; E171-R175 IonicContact OE1-NH2 2.57Å; E171-R175 PolarHBondContact OE1-NH2 3.34Å; Q172-R175 PolarHBondContact O-N 3.45Å; Y173-R175 VanDerWaalsContact C-N 3.34Å; Y173-R175 PolarHBondContact O-N 3.43Å; R175-Q179 VanDerWaalsContact O-CA 3.27Å; R175-Q179 WeakPolarHBondContact O-CA 3.35Å; R175-Q179 WeakPolarHBondContact O-CB 3.36Å; R175-Q179 PolarHBondContact O-N 3.23Å; R175-V184 VanDerWaalsContact NH2-CG1 3.32Å; R175-H189 PolarHBondContact NH2-O 2.69Å; R175-H189 VanDerWaalsContact NH2-O 3.1Å; R175-V191 HydrophobicContact CG-CG2 3.65Å
176M88.9Confident89.8Confident117 Ų11752.5 Ų52.558%0.57625%0.251SS*.Hα-helixtrans-70.7-49.5179.3-172.9-168.1-57.200111.3Q172 Y173 I174Q172-M176 WeakPolarHBondContact O-CB 3.36Å; Q172-M176 PolarHBondContact O-N 3.4Å; Y173-M176 PolarHBondContact O-N 3.42Å; I174-M176 VanDerWaalsContact C-N 3.32Å; I174-M176 PolarHBondContact O-N 3.49Å
177L89.6Confident89.9Confident84 Ų8455.4 Ų55.444%0.4427%0.266SS..Hα-helixtrans-69.6-36.2-175.1-176.760.7000112.5M107 Y173M107-L177 HydrophobicContact CE-CD2 4.3Å; Y173-L177 HydrophobicContact CE1-CB 4.43Å; Y173-L177 HydrophobicContact CE1-CD2 3.63Å; Y173-L177 WeakPolarHBondContact O-CB 3.46Å; Y173-L177 PolarHBondContact O-N 2.88Å; Y173-L177 WeakPolarHBondContact OH-CD2 3.48Å
178Y90.8Very high90Very high13 Ų1356.3 Ų56.35%0.05127%0.274CS..THydrogen-bonded Turntrans-117.632.6-173.3-53.7-72.2000113M107 D108 V111 I174 D180 Q181 V182M107-Y178 HydrophobicContact CB-CE2 4.35Å; M107-Y178 WeakPolarHBondContact CB-OH 3.44Å; M107-Y178 HydrophobicContact CE-CE2 4.15Å; D108-Y178 PolarHBondContact N-OH 3.35Å; D108-Y178 WeakPolarHBondContact OD1-CE1 3.31Å; D108-Y178 PolarHBondContact OD1-OH 2.78Å; V111-Y178 HydrophobicContact CB-CD1 4.33Å; V111-Y178 HydrophobicContact CB-CE1 4.47Å; V111-Y178 HydrophobicContact CB-CG 4.49Å; V111-Y178 HydrophobicContact CG1-CD1 3.91Å; V111-Y178 HydrophobicContact CG1-CG 3.99Å; V111-Y178 HydrophobicContact CG2-CD1 4.34Å; V111-Y178 HydrophobicContact CG2-CD2 3.98Å; V111-Y178 HydrophobicContact CG2-CE1 4.42Å; V111-Y178 HydrophobicContact CG2-CE2 4.06Å; V111-Y178 HydrophobicContact CG2-CG 4.12Å; I174-Y178 HydrophobicContact CG2-CD2 4.05Å; I174-Y178 WeakPolarHBondContact O-CB 3.35Å; I174-Y178 WeakPolarHBondContact O-CD2 3.25Å; I174-Y178 PolarHBondContact O-N 3.26Å; Y178-D180 PolarHBondContact O-N 2.98Å; Y178-Q181 PolarHBondContact O-N 2.89Å; Y178-V182 HydrophobicContact CG-CG2 4.3Å; Y178-V182 PolarHBondContact O-N 2.69Å
179Q88.3Confident90.1Very high131 Ų13161.6 Ų61.661%0.61230%0.298SS*.THydrogen-bonded Turntrans-48.6-35.4-174.664.2-178.7-3.900114.8R175 K183R175-Q179 VanDerWaalsContact O-CA 3.27Å; R175-Q179 WeakPolarHBondContact O-CA 3.35Å; R175-Q179 WeakPolarHBondContact O-CB 3.36Å; R175-Q179 PolarHBondContact O-N 3.23Å; Q179-K183 PolarHBondContact O-NZ 3.28Å
180D87.1Confident90.2Very high124 Ų12462.6 Ų62.666%0.66330%0.304SS*.THydrogen-bonded Turntrans-82.6-29.4-177.3-64.7-47.6000112.4Y178 K183Y178-D180 PolarHBondContact O-N 2.98Å; D180-K183 WeakPolarHBondContact O-CE 3.43Å; D180-K183 PolarHBondContact O-NZ 2.94Å
181Q86Confident90.5Very high94 Ų9462 Ų6244%0.43930%0.301SS..THydrogen-bonded Turntrans-97.8-45-171.5-47.6-155.890.200112.5V111 D112 Y178V111-Q181 HydrophobicContact CG1-CB 3.72Å; D112-Q181 VanDerWaalsContact OD1-CD 3.31Å; D112-Q181 PolarHBondContact OD1-NE2 2.57Å; D112-Q181 PolarHBondContact OD1-OE1 3.15Å; D112-Q181 VanDerWaalsContact OD1-OE1 3.06Å; Y178-Q181 PolarHBondContact O-N 2.89Å
182V84.6Confident90.7Very high16 Ų1661.1 Ų61.110%0.09730%0.298CS..  trans-84.6123-178.3174.40000109.6V111 I174 Y178 V191 L193V111-V182 HydrophobicContact CB-CG2 4.49Å; V111-V182 HydrophobicContact CG1-CG2 3.69Å; V111-V182 HydrophobicContact CG2-CG2 3.98Å; I174-V182 HydrophobicContact CG2-CG1 4.22Å; I174-V182 HydrophobicContact CG2-CG2 4.07Å; Y178-V182 HydrophobicContact CG-CG2 4.3Å; Y178-V182 PolarHBondContact O-N 2.69Å; V182-V191 HydrophobicContact CG1-CB 4.3Å; V182-V191 HydrophobicContact CG1-CG1 3.59Å; V182-V191 HydrophobicContact CG1-CG2 4.08Å; V182-L193 HydrophobicContact CG2-CD2 4.09Å
183K87.1Confident91.1Very high99 Ų9958.3 Ų58.343%0.4329%0.285SS..EExtended strand (participates in β ladder)trans-112.5169.5171.8-52.1-61173.2-158.60109.9Q179 D180 A192 K206Q179-K183 PolarHBondContact O-NZ 3.28Å; D180-K183 WeakPolarHBondContact O-CE 3.43Å; D180-K183 PolarHBondContact O-NZ 2.94Å; K183-A192 PolarHBondContact O-N 2.61Å; K183-K206 HydrophobicContact CB-CD 4.14Å; K183-K206 HydrophobicContact CG-CD 4.45Å
184V93.8Very high91.5Very high52 Ų5257.9 Ų57.932%0.31528%0.284SS..EExtended strand (participates in β ladder)trans-93.6150.1175.4-63.60000111.1R175 H186 H189 N190R175-V184 VanDerWaalsContact NH2-CG1 3.32Å; V184-H186 PolarHBondContact O-N 2.79Å; V184-H189 WeakPolarHBondContact CG1-O 3.4Å; V184-N190 CarbonylContact C-O 3.59Å; V184-N190 VanDerWaalsContact CA-O 3.26Å; V184-N190 WeakPolarHBondContact CA-O 3.25Å
185C95.9Very high91.6Very high0 Ų059.1 Ų59.10%029%0.293CS..BIsolated β-bridgetrans-63.7130.7168.1173.80000110.3I187 C188 H189 N190 A192 K206 H208C185-I187 PolarHBondContact O-N 2.97Å; C185-I187 PolarHBondContact SG-N 3.02Å; C185-C188 VanDerWaalsContact CB-SG 3.59Å; C185-H189 WeakPolarHBondContact O-CA 3.48Å; C185-H189 PolarHBondContact O-N 3.14Å; C185-N190 PolarHBondContact N-O 3.17Å; C185-A192 HydrophobicContact CB-CB 4.06Å; C185-K206 CarbonylContact C-O 3.55Å; C185-K206 VanDerWaalsContact CA-O 3.3Å; C185-K206 WeakPolarHBondContact CA-O 3.3Å; C185-H208 VanDerWaalsContact CB-CE1 3.47Å; C185-H208 WeakPolarHBondContact CB-CE1 3.14Å; C185-H208 WeakPolarHBondContact CB-ND1 3.32Å; C185-H208 PolarHBondContact SG-N 3.46Å; C185-H208 VanDerWaalsContact SG-N 3.4Å; C185-H208 PolarHBondContact SG-ND1 3.36Å; C185-H208 VanDerWaalsContact SG-ND1 3.42Å
186H97.1Very high91.9Very high71 Ų7156.4 Ų56.433%0.32928%0.284SS..THydrogen-bonded Turntrans-64.5-20.4179.7-172.978.7000113.7V184 I205 K206 I207V184-H186 PolarHBondContact O-N 2.79Å; H186-I205 HydrophobicContact CB-CB 4.19Å; H186-I205 HydrophobicContact CB-CD1 3.98Å; H186-K206 PolarHBondContact N-O 3.02Å; H186-I207 HydrophobicContact CB-CG1 4.18Å
187I96.3Very high92.1Very high61 Ų6155.3 Ų55.331%0.31328%0.279SS..THydrogen-bonded Turntrans-91.7-52.2-178.4-57.2-59.8000111.4C185 H189 I207 C211 Y215 P225C185-I187 PolarHBondContact O-N 2.97Å; C185-I187 PolarHBondContact SG-N 3.02Å; I187-H189 PolarHBondContact O-ND1 2.85Å; I187-I207 HydrophobicContact CG1-CD1 4.27Å; I187-I207 HydrophobicContact CG1-CG1 4.41Å; I187-I207 HydrophobicContact CG1-CG2 3.72Å; I187-C211 HydrophobicContact CB-CB 4.08Å; I187-C211 HydrophobicContact CG1-CB 4.29Å; I187-C211 HydrophobicContact CG2-CB 4.37Å; I187-Y215 HydrophobicContact CD1-CD2 3.74Å; I187-Y215 HydrophobicContact CD1-CE2 4.07Å; I187-Y215 HydrophobicContact CD1-CG 4.07Å; I187-P225 HydrophobicContact CD1-CG 4.24Å
188C94.1Very high92.5Very high40 Ų4051.5 Ų51.527%0.2726%0.259SS..THydrogen-bonded Turntrans-101.5-8.8-17377.40000114C185 N190 H208C185-C188 VanDerWaalsContact CB-SG 3.59Å; C188-N190 PolarHBondContact O-N 3.4Å; C188-N190 VanDerWaalsContact O-N 3.1Å; C188-H208 PolarHBondContact SG-CE1 3.37Å; C188-H208 PolarHBondContact SG-ND1 3.04Å
189H93.1Very high92.7Very high122 Ų12256.7 Ų56.757%0.56528%0.284SS*.  trans62.78.2179-54.585.7000116R175 V184 C185 I187R175-H189 PolarHBondContact NH2-O 2.69Å; R175-H189 VanDerWaalsContact NH2-O 3.1Å; V184-H189 WeakPolarHBondContact CG1-O 3.4Å; C185-H189 WeakPolarHBondContact O-CA 3.48Å; C185-H189 PolarHBondContact O-N 3.14Å; I187-H189 PolarHBondContact O-ND1 2.85Å
190N91.9Very high93.1Very high51 Ų5152.4 Ų52.427%0.27327%0.265SS..SBendtrans-85.3159.6171.7-60.6-38.1000111V184 C185 C188 A192V184-N190 CarbonylContact C-O 3.59Å; V184-N190 VanDerWaalsContact CA-O 3.26Å; V184-N190 WeakPolarHBondContact CA-O 3.25Å; C185-N190 PolarHBondContact N-O 3.17Å; C188-N190 PolarHBondContact O-N 3.4Å; C188-N190 VanDerWaalsContact O-N 3.1Å; N190-A192 PolarHBondContact O-N 3.11Å
191V93.3Very high93.4Very high1 Ų152.9 Ų52.91%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-46.7135.2169.61640000110.2E71 I167 E171 I174 R175 V182 L193 H208E71-V191 VanDerWaalsContact OE1-O 3.09Å; I167-V191 HydrophobicContact CG2-CB 4.44Å; I167-V191 HydrophobicContact CG2-CG1 4.48Å; E171-V191 HydrophobicContact CG-CB 4.42Å; E171-V191 HydrophobicContact CG-CG2 3.76Å; I174-V191 HydrophobicContact CG2-CG1 4.21Å; R175-V191 HydrophobicContact CG-CG2 3.65Å; V182-V191 HydrophobicContact CG1-CB 4.3Å; V182-V191 HydrophobicContact CG1-CG1 3.59Å; V182-V191 HydrophobicContact CG1-CG2 4.08Å; V191-L193 HydrophobicContact CG1-CD2 4.46Å; V191-L193 HydrophobicContact CG1-CG 4.23Å; V191-H208 PolarHBondContact O-CE1 2.71Å; V191-H208 PolarHBondContact O-NE2 3.45Å
192A94.1Very high93.9Very high3 Ų354.6 Ų54.63%0.02529%0.292CS..EExtended strand (participates in β ladder)trans-125.8110.9-179.600000111.9E71 K183 C185 N190 C195 H208E71-A192 WeakPolarHBondContact OE1-CA 3.34Å; K183-A192 PolarHBondContact O-N 2.61Å; C185-A192 HydrophobicContact CB-CB 4.06Å; N190-A192 PolarHBondContact O-N 3.11Å; A192-C195 HydrophobicContact CB-CB 4.1Å; A192-H208 WeakPolarHBondContact CA-NE2 3.26Å; A192-H208 WeakPolarHBondContact CB-NE2 3.37Å
193L94.4Very high94.4Very high14 Ų1455.3 Ų55.37%0.07330%0.297CS..SBendtrans-98.6-51.2175.6-59.2170.1000110.1E71 I110 V111 L162 I167 V182 V191 C195E71-L193 PolarHBondContact OE1-N 3Å; E71-L193 WeakPolarHBondContact OE2-CB 3.47Å; E71-L193 PolarHBondContact OE2-N 3.38Å; I110-L193 HydrophobicContact CG2-CD1 4.38Å; V111-L193 HydrophobicContact CG2-CD2 3.95Å; L162-L193 HydrophobicContact CB-CD1 4.03Å; L162-L193 HydrophobicContact CD1-CD1 3.65Å; L162-L193 HydrophobicContact CG-CD1 3.92Å; I167-L193 HydrophobicContact CD1-CD1 4.12Å; I167-L193 HydrophobicContact CG1-CD1 4.23Å; V182-L193 HydrophobicContact CG2-CD2 4.09Å; V191-L193 HydrophobicContact CG1-CD2 4.46Å; V191-L193 HydrophobicContact CG1-CG 4.23Å; L193-C195 PolarHBondContact O-N 3.36Å
194Q94.3Very high94.7Very high34 Ų3452.2 Ų52.216%0.15929%0.293CS..SBendtrans-94.897.4175.7-51-174.9-45.200109.8E71 T209E71-Q194 HydrophobicContact CB-CB 4.08Å; E71-Q194 HydrophobicContact CB-CG 4.35Å; E71-Q194 PolarHBondContact OE2-N 3.09Å; Q194-T209 PolarHBondContact O-N 2.99Å
195C94Very high94.8Very high27 Ų2751 Ų5118%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-148.2161.5-171.359.50000113A192 L193 K206 I207A192-C195 HydrophobicContact CB-CB 4.1Å; L193-C195 PolarHBondContact O-N 3.36Å; C195-K206 HydrophobicContact CB-CB 4.35Å; C195-I207 VanDerWaalsContact CA-O 3.32Å; C195-I207 WeakPolarHBondContact CA-O 3.4Å; C195-I207 VanDerWaalsContact CB-O 3.26Å; C195-I207 WeakPolarHBondContact CB-O 3.47Å
196Q94.7Very high94.7Very high31 Ų3153.6 Ų53.615%0.14530%0.296CS..EExtended strand (participates in β ladder)trans-101.3142.6166.8-68.9178.9-4.200108.9K206 I207 V212 W231 H233 E234Q196-K206 WeakPolarHBondContact O-CA 3.46Å; Q196-I207 PolarHBondContact N-O 3Å; Q196-I207 PolarHBondContact O-N 2.88Å; Q196-V212 HydrophobicContact CB-CG2 4.22Å; Q196-V212 VanDerWaalsContact OE1-CG1 3.28Å; Q196-W231 HydrophobicContact CB-CZ2 3.66Å; Q196-H233 VanDerWaalsContact CD-CB 3.42Å; Q196-H233 HydrophobicContact CG-CB 4.15Å; Q196-H233 VanDerWaalsContact OE1-CB 3.28Å; Q196-E234 PolarHBondContact NE2-O 3.21Å
197M94.7Very high94.7Very high94 Ų9450.2 Ų50.246%0.46328%0.28SS..EExtended strand (participates in β ladder)trans-112.9138.6-178-172.9176.968.500111E199 I205 K206 H233M197-E199 PolarHBondContact O-N 3.2Å; M197-I205 CarbonylContact C-O 3.47Å; M197-I205 VanDerWaalsContact CA-O 3.3Å; M197-I205 WeakPolarHBondContact CA-O 3.36Å; M197-K206 HydrophobicContact CB-CG 4.36Å; M197-K206 HydrophobicContact CG-CG 4.19Å; M197-H233 PolarHBondContact O-NE2 2.83Å
198C96.1Very high94.7Very high4 Ų447.6 Ų47.63%0.02727%0.266CS..  trans-63.5127.5169.9-1760000110.2N200 C203 I205 C224 W231C198-N200 VanDerWaalsContact C-N 3.29Å; C198-N200 PolarHBondContact O-N 3.22Å; C198-C203 HydrophobicContact CB-CB 4.44Å; C198-I205 HydrophobicContact CB-CG1 3.8Å; C198-I205 PolarHBondContact N-O 2.88Å; C198-C224 VanDerWaalsContact SG-SG 3.62Å; C198-W231 HydrophobicContact CB-CH2 4.47Å; C198-W231 HydrophobicContact CB-CZ3 3.87Å
199E95.4Very high94.7Very high122 Ų12248 Ų4857%0.5727%0.268SS*.  trans-80.1-6.9-178.5-66.2-177.4178.400113.7M197 P201 P232 H233M197-E199 PolarHBondContact O-N 3.2Å; E199-P201 VanDerWaalsContact O-CD 3.23Å; E199-P201 WeakPolarHBondContact O-CD 3.42Å; E199-P232 HydrophobicContact CB-CG 4.18Å; E199-P232 HydrophobicContact CG-CG 3.69Å; E199-P232 WeakPolarHBondContact OE2-CG 3.42Å; E199-H233 IonicContact OE1-CE1 3.34Å; E199-H233 PolarHBondContact OE1-CE1 3.37Å
200N96.3Very high94.8Very high41 Ų4142.8 Ų42.822%0.21925%0.245CC..  trans-63.9119.4171.8176.6-19.4000109C198 T202 C203 G204 D229C198-N200 VanDerWaalsContact C-N 3.29Å; C198-N200 PolarHBondContact O-N 3.22Å; N200-T202 PolarHBondContact ND2-OG1 3.42Å; N200-T202 PolarHBondContact O-N 2.96Å; N200-T202 VanDerWaalsContact O-N 3.08Å; N200-T202 PolarHBondContact OD1-N 2.88Å; N200-T202 PolarHBondContact OD1-OG1 3.32Å; N200-C203 HydrophobicContact CB-CB 3.87Å; N200-C203 PolarHBondContact O-N 2.78Å; N200-G204 PolarHBondContact O-N 3.41Å; N200-G204 VanDerWaalsContact O-N 3.14Å; N200-D229 WeakPolarHBondContact CB-OD2 3.38Å; N200-D229 PolarHBondContact ND2-OD2 3.34Å
201P94.3Very high95.1Very high133 Ų13340.7 Ų40.786%0.86423%0.234SC*.THydrogen-bonded Turntrans-59.9-22.6-176.8-24.634.8000114.9E199E199-P201 VanDerWaalsContact O-CD 3.23Å; E199-P201 WeakPolarHBondContact O-CD 3.42Å
202T95.8Very high95.2Very high130 Ų13040.7 Ų40.780%0.79823%0.234SC*.THydrogen-bonded Turntrans-91.1-7.8177.563.70000113.5N200N200-T202 PolarHBondContact ND2-OG1 3.42Å; N200-T202 PolarHBondContact O-N 2.96Å; N200-T202 VanDerWaalsContact O-N 3.08Å; N200-T202 PolarHBondContact OD1-N 2.88Å; N200-T202 PolarHBondContact OD1-OG1 3.32Å
203C95.7Very high95.2Very high32 Ų3240.7 Ų40.722%0.21623%0.234CC..THydrogen-bonded Turntrans-109.2-68.3-175.9-175.50000111.9C198 N200 I205 C224 C227C198-C203 HydrophobicContact CB-CB 4.44Å; N200-C203 HydrophobicContact CB-CB 3.87Å; N200-C203 PolarHBondContact O-N 2.78Å; C203-I205 PolarHBondContact O-N 3.41Å; C203-C224 VanDerWaalsContact SG-SG 3.65Å; C203-C227 HydrophobicContact CB-CB 3.99Å; C203-C227 VanDerWaalsContact SG-SG 3.62Å
204G93.1Very high95.2Very high33 Ų3345.3 Ų45.334%0.3425%0.251SS..  trans58.718175.400000116.2N200N200-G204 PolarHBondContact O-N 3.41Å; N200-G204 VanDerWaalsContact O-N 3.14Å
205I95.4Very high95.3Very high26 Ų2647.2 Ų47.213%0.13326%0.257CS..  trans-61.6144.9178.663.5161.1000110.7H186 M197 C198 C203 I207 C224 P225 A226 W231H186-I205 HydrophobicContact CB-CB 4.19Å; H186-I205 HydrophobicContact CB-CD1 3.98Å; M197-I205 CarbonylContact C-O 3.47Å; M197-I205 VanDerWaalsContact CA-O 3.3Å; M197-I205 WeakPolarHBondContact CA-O 3.36Å; C198-I205 HydrophobicContact CB-CG1 3.8Å; C198-I205 PolarHBondContact N-O 2.88Å; C203-I205 PolarHBondContact O-N 3.41Å; I205-I207 HydrophobicContact CD1-CD1 3.96Å; I205-I207 HydrophobicContact CD1-CG1 4.17Å; I205-C224 WeakPolarHBondContact CD1-SG 3.16Å; I205-P225 HydrophobicContact CD1-CG 3.61Å; I205-A226 HydrophobicContact CD1-CB 3.92Å; I205-A226 HydrophobicContact CG1-CB 4.42Å; I205-A226 HydrophobicContact CG2-CB 3.72Å; I205-W231 HydrophobicContact CD1-CZ3 4.35Å; I205-W231 HydrophobicContact CG1-CZ3 4.35Å
206K94.9Very high95.4Very high56 Ų5646 Ų4624%0.24325%0.249CC..EExtended strand (participates in β ladder)trans-104.7139.8173.1-62.8-168.4176.5-170.20109.8K183 C185 H186 C195 Q196 M197K183-K206 HydrophobicContact CB-CD 4.14Å; K183-K206 HydrophobicContact CG-CD 4.45Å; C185-K206 CarbonylContact C-O 3.55Å; C185-K206 VanDerWaalsContact CA-O 3.3Å; C185-K206 WeakPolarHBondContact CA-O 3.3Å; H186-K206 PolarHBondContact N-O 3.02Å; C195-K206 HydrophobicContact CB-CB 4.35Å; Q196-K206 WeakPolarHBondContact O-CA 3.46Å; M197-K206 HydrophobicContact CB-CG 4.36Å; M197-K206 HydrophobicContact CG-CG 4.19Å
207I96.6Very high95.3Very high0 Ų050.9 Ų50.90%027%0.269CS..EExtended strand (participates in β ladder)trans-133.3126.8174.5-53.9179.5000108.2H186 I187 C195 Q196 I205 C211 V212 P225 W231H186-I207 HydrophobicContact CB-CG1 4.18Å; I187-I207 HydrophobicContact CG1-CD1 4.27Å; I187-I207 HydrophobicContact CG1-CG1 4.41Å; I187-I207 HydrophobicContact CG1-CG2 3.72Å; C195-I207 VanDerWaalsContact CA-O 3.32Å; C195-I207 WeakPolarHBondContact CA-O 3.4Å; C195-I207 VanDerWaalsContact CB-O 3.26Å; C195-I207 WeakPolarHBondContact CB-O 3.47Å; Q196-I207 PolarHBondContact N-O 3Å; Q196-I207 PolarHBondContact O-N 2.88Å; I205-I207 HydrophobicContact CD1-CD1 3.96Å; I205-I207 HydrophobicContact CD1-CG1 4.17Å; I207-C211 HydrophobicContact CG2-CB 3.48Å; I207-C211 VanDerWaalsContact CG2-CB 3.48Å; I207-V212 HydrophobicContact CB-CG2 3.72Å; I207-V212 HydrophobicContact CG2-CB 4.49Å; I207-V212 HydrophobicContact CG2-CG2 3.56Å; I207-P225 HydrophobicContact CD1-CG 3.74Å; I207-W231 HydrophobicContact CB-CH2 4.33Å; I207-W231 HydrophobicContact CB-CZ2 4.44Å; I207-W231 HydrophobicContact CD1-CH2 3.66Å; I207-W231 HydrophobicContact CD1-CZ2 4.21Å; I207-W231 HydrophobicContact CD1-CZ3 4.02Å; I207-W231 HydrophobicContact CG1-CH2 3.92Å; I207-W231 HydrophobicContact CG1-CZ2 4.48Å
208H96.3Very high95Very high5 Ų550.3 Ų50.32%0.02329%0.287CS..EExtended strand (participates in β ladder)trans-51.1143.3174.1-70.1123.6000111.6M69 E71 C185 C188 V191 A192 P210 C211 V212M69-H208 HydrophobicContact CE-CB 3.94Å; E71-H208 VanDerWaalsContact CD-CD2 3.48Å; E71-H208 IonicContact OE1-CD2 2.69Å; E71-H208 PolarHBondContact OE1-CD2 2.85Å; E71-H208 IonicContact OE1-CE1 3.73Å; E71-H208 IonicContact OE1-NE2 2.61Å; E71-H208 PolarHBondContact OE1-NE2 3.3Å; C185-H208 VanDerWaalsContact CB-CE1 3.47Å; C185-H208 WeakPolarHBondContact CB-CE1 3.14Å; C185-H208 WeakPolarHBondContact CB-ND1 3.32Å; C185-H208 PolarHBondContact SG-N 3.46Å; C185-H208 VanDerWaalsContact SG-N 3.4Å; C185-H208 PolarHBondContact SG-ND1 3.36Å; C185-H208 VanDerWaalsContact SG-ND1 3.42Å; C188-H208 PolarHBondContact SG-CE1 3.37Å; C188-H208 PolarHBondContact SG-ND1 3.04Å; V191-H208 PolarHBondContact O-CE1 2.71Å; V191-H208 PolarHBondContact O-NE2 3.45Å; A192-H208 WeakPolarHBondContact CA-NE2 3.26Å; A192-H208 WeakPolarHBondContact CB-NE2 3.37Å; H208-P210 VanDerWaalsContact C-N 3.34Å; H208-C211 HydrophobicContact CB-CB 3.95Å; H208-C211 CarbonylContact O-C 3.54Å; H208-C211 WeakPolarHBondContact O-CA 3.3Å; H208-C211 WeakPolarHBondContact O-CB 3.49Å; H208-C211 PolarHBondContact O-N 2.95Å; H208-V212 PolarHBondContact O-N 3.33Å
209T95Very high94.8Very high49 Ų4955.7 Ų55.730%0.30131%0.307SS..Hα-helixtrans-51-47176.7-58.90000112.4Q194 C211 V212 A213 P236Q194-T209 PolarHBondContact O-N 2.99Å; T209-C211 PolarHBondContact O-N 3.5Å; T209-V212 PolarHBondContact O-N 3.48Å; T209-A213 PolarHBondContact O-N 3.21Å; T209-A213 VanDerWaalsContact O-N 3.11Å; T209-P236 HydrophobicContact CG2-CB 3.93Å; T209-P236 HydrophobicContact CG2-CG 3.44Å; T209-P236 VanDerWaalsContact CG2-CG 3.44Å
210P95.4Very high94.6Very high12 Ų1256.9 Ų56.98%0.07832%0.323CS..Hα-helixtrans-65.8-29.2172.4-25.234.2000115.8M69 E71 G74 H208 R214M69-P210 HydrophobicContact CE-CB 3.88Å; M69-P210 HydrophobicContact CE-CG 4.24Å; M69-P210 HydrophobicContact SD-CB 3.9Å; E71-P210 VanDerWaalsContact O-CD 3.29Å; E71-P210 WeakPolarHBondContact O-CD 3.44Å; E71-P210 WeakPolarHBondContact O-CG 3.49Å; G74-P210 VanDerWaalsContact CA-CB 3.46Å; H208-P210 VanDerWaalsContact C-N 3.34Å; P210-R214 WeakPolarHBondContact O-CG 3.46Å; P210-R214 PolarHBondContact O-N 2.9Å; P210-R214 VanDerWaalsContact O-N 3.17Å
211C96.3Very high94.5Very high8 Ų858.5 Ų58.55%0.05433%0.332CS..Hα-helixtrans-71.5-40.3175.7-76.80000111I187 I207 H208 T209 R214 Y215I187-C211 HydrophobicContact CB-CB 4.08Å; I187-C211 HydrophobicContact CG1-CB 4.29Å; I187-C211 HydrophobicContact CG2-CB 4.37Å; I207-C211 HydrophobicContact CG2-CB 3.48Å; I207-C211 VanDerWaalsContact CG2-CB 3.48Å; H208-C211 HydrophobicContact CB-CB 3.95Å; H208-C211 CarbonylContact O-C 3.54Å; H208-C211 WeakPolarHBondContact O-CA 3.3Å; H208-C211 WeakPolarHBondContact O-CB 3.49Å; H208-C211 PolarHBondContact O-N 2.95Å; T209-C211 PolarHBondContact O-N 3.5Å; C211-R214 PolarHBondContact O-N 3.2Å; C211-Y215 WeakPolarHBondContact O-CB 3.02Å; C211-Y215 PolarHBondContact O-N 3.37Å
212V96.2Very high94.6Very high0 Ų052.8 Ų52.80%030%0.295CS..Hα-helixtrans-56.5-53.4172172.70000109.6Q196 I207 H208 T209 R214 Y215 F216 W231 I235Q196-V212 HydrophobicContact CB-CG2 4.22Å; Q196-V212 VanDerWaalsContact OE1-CG1 3.28Å; I207-V212 HydrophobicContact CB-CG2 3.72Å; I207-V212 HydrophobicContact CG2-CB 4.49Å; I207-V212 HydrophobicContact CG2-CG2 3.56Å; H208-V212 PolarHBondContact O-N 3.33Å; T209-V212 PolarHBondContact O-N 3.48Å; V212-R214 VanDerWaalsContact C-N 3.25Å; V212-R214 PolarHBondContact O-N 3.06Å; V212-Y215 PolarHBondContact O-N 3.05Å; V212-F216 HydrophobicContact CB-CD2 4.33Å; V212-F216 HydrophobicContact CG1-CD2 3.63Å; V212-F216 HydrophobicContact CG1-CE2 4.11Å; V212-F216 WeakPolarHBondContact O-CD2 3.4Å; V212-F216 PolarHBondContact O-N 3.38Å; V212-W231 HydrophobicContact CG2-CZ2 4.09Å; V212-I235 HydrophobicContact CG1-CD1 3.77Å; V212-I235 HydrophobicContact CG1-CG2 4.41Å
213A94.6Very high94.6Very high4 Ų452 Ų523%0.03328%0.277CS..Hα-helixtrans-53.6-42179.800000112.6T209 K217 P236 V238T209-A213 PolarHBondContact O-N 3.21Å; T209-A213 VanDerWaalsContact O-N 3.11Å; A213-K217 WeakPolarHBondContact O-CB 3.41Å; A213-K217 PolarHBondContact O-N 3.29Å; A213-P236 WeakPolarHBondContact CA-O 3.44Å; A213-P236 HydrophobicContact CB-CB 4.23Å; A213-P236 WeakPolarHBondContact CB-O 3.49Å; A213-V238 HydrophobicContact CB-CG2 3.95Å; A213-V238 VanDerWaalsContact O-CG2 3.28Å; A213-V238 WeakPolarHBondContact O-CG2 3.41Å
214R94.8Very high94.7Very high110 Ų11050.6 Ų50.642%0.41527%0.268SS..Hα-helixtrans-74.9-44.2178.6-74.1175.7172.31396.4113M69 G74 P210 C211 V212 K217M69-R214 PolarHBondContact SD-NH1 3.46Å; G74-R214 VanDerWaalsContact O-CZ 3.27Å; G74-R214 PolarHBondContact O-NH1 2.95Å; G74-R214 PolarHBondContact O-NH2 3.1Å; P210-R214 WeakPolarHBondContact O-CG 3.46Å; P210-R214 PolarHBondContact O-N 2.9Å; P210-R214 VanDerWaalsContact O-N 3.17Å; C211-R214 PolarHBondContact O-N 3.2Å; V212-R214 VanDerWaalsContact C-N 3.25Å; V212-R214 PolarHBondContact O-N 3.06Å; R214-K217 WeakPolarHBondContact O-CB 3.02Å
215Y95.6Very high94.9Very high74 Ų7450.8 Ų50.829%0.2926%0.263SS..Hα-helixtrans-70.5-40.5-173.4-177.7-100.5000112.4I187 C211 V212 R219 P225I187-Y215 HydrophobicContact CD1-CD2 3.74Å; I187-Y215 HydrophobicContact CD1-CE2 4.07Å; I187-Y215 HydrophobicContact CD1-CG 4.07Å; C211-Y215 WeakPolarHBondContact O-CB 3.02Å; C211-Y215 PolarHBondContact O-N 3.37Å; V212-Y215 PolarHBondContact O-N 3.05Å; Y215-R219 PolarHBondContact O-NE 3.19Å; Y215-R219 VanDerWaalsContact O-NE 3.09Å; Y215-R219 PolarHBondContact O-NH2 3.3Å; Y215-P225 HydrophobicContact CE1-CB 4.07Å; Y215-P225 HydrophobicContact CE1-CG 4.28Å
216F95.8Very high95Very high2 Ų252 Ų521%0.00928%0.277CS..SBendtrans-92.54-179.9-64.8-62.6000114V212 G218 R219 P222 R223 W231 I235V212-F216 HydrophobicContact CB-CD2 4.33Å; V212-F216 HydrophobicContact CG1-CD2 3.63Å; V212-F216 HydrophobicContact CG1-CE2 4.11Å; V212-F216 WeakPolarHBondContact O-CD2 3.4Å; V212-F216 PolarHBondContact O-N 3.38Å; F216-G218 PolarHBondContact O-N 2.79Å; F216-G218 VanDerWaalsContact O-N 3.11Å; F216-R219 WeakPolarHBondContact O-CB 3.5Å; F216-R219 PolarHBondContact O-N 2.96Å; F216-P222 HydrophobicContact CD1-CB 3.63Å; F216-P222 HydrophobicContact CE1-CB 3.91Å; F216-P222 HydrophobicContact CG-CB 4.06Å; F216-R223 WeakPolarHBondContact CE1-O 3.25Å; F216-R223 WeakPolarHBondContact CZ-O 3.46Å; F216-W231 AromaticContact CE2-CD2 3.91Å; F216-W231 HydrophobicContact CE2-CD2 3.91Å; F216-W231 HydrophobicContact CE2-CE3 4.47Å; F216-W231 AromaticContact CE2-CG 3.92Å; F216-W231 HydrophobicContact CE2-CG 3.92Å; F216-W231 HydrophobicContact CZ-CB 4.18Å; F216-W231 HydrophobicContact CZ-CD2 4.01Å; F216-W231 HydrophobicContact CZ-CE3 4.26Å; F216-W231 AromaticContact CZ-CG 3.99Å; F216-W231 HydrophobicContact CZ-CG 3.99Å; F216-I235 HydrophobicContact CB-CD1 3.84Å; F216-I235 HydrophobicContact CB-CG1 4.07Å; F216-I235 HydrophobicContact CB-CG2 3.81Å; F216-I235 HydrophobicContact CD2-CD1 3.62Å; F216-I235 HydrophobicContact CE2-CD1 4.35Å; F216-I235 HydrophobicContact CG-CD1 3.84Å
217K93.1Very high95.2Very high133 Ų13351.2 Ų51.258%0.57828%0.278SS*.THydrogen-bonded Turntrans-51.9120.3-179.3-170.7-176.4-179.7-176.30111.5A213 R214 R219 V238A213-K217 WeakPolarHBondContact O-CB 3.41Å; A213-K217 PolarHBondContact O-N 3.29Å; R214-K217 WeakPolarHBondContact O-CB 3.02Å; K217-R219 PolarHBondContact O-N 3.47Å; K217-V238 HydrophobicContact CD-CG2 4.23Å; K217-V238 HydrophobicContact CG-CG2 4.4Å
218G88.8Confident95.2Very high82 Ų8258.3 Ų58.385%0.84531%0.311SS*.THydrogen-bonded Turntrans74.37177.300000115F216F216-G218 PolarHBondContact O-N 2.79Å; F216-G218 VanDerWaalsContact O-N 3.11Å
219R91.6Very high95.2Very high117 Ų11761.4 Ų61.444%0.44233%0.328SS..  trans-87.1132.6173.8-56.8-165.5-163-163.92.3110Y215 F216 K217Y215-R219 PolarHBondContact O-NE 3.19Å; Y215-R219 VanDerWaalsContact O-NE 3.09Å; Y215-R219 PolarHBondContact O-NH2 3.3Å; F216-R219 WeakPolarHBondContact O-CB 3.5Å; F216-R219 PolarHBondContact O-N 2.96Å; K217-R219 PolarHBondContact O-N 3.47Å
220T90.8Very high95.3Very high148 Ų14864.9 Ų64.991%0.90834%0.339SS*.SBendtrans-90.1-18.3177.153.80000113.3
221D94.5Very high95.4Very high74 Ų7464.4 Ų64.440%0.39634%0.336SS..SBendtrans-128.180.3175.8-175.533.1000109.5R223D221-R223 PolarHBondContact O-N 3.13Å; D221-R223 IonicContact OD1-NH2 2.73Å; D221-R223 IonicContact OD2-CZ 3.42Å; D221-R223 VanDerWaalsContact OD2-CZ 3.25Å; D221-R223 IonicContact OD2-NE 2.73Å; D221-R223 PolarHBondContact OD2-NE 2.82Å; D221-R223 IonicContact OD2-NH2 3.19Å; D221-R223 PolarHBondContact OD2-NH2 3.07Å
222P96.1Very high95.2Very high14 Ų1466.6 Ų66.69%0.09135%0.35CS..  trans-62.9126.3179.3-25.438000112.2F216 W231 I235F216-P222 HydrophobicContact CD1-CB 3.63Å; F216-P222 HydrophobicContact CE1-CB 3.91Å; F216-P222 HydrophobicContact CG-CB 4.06Å; P222-W231 HydrophobicContact CB-CB 3.87Å; P222-W231 PolarHBondContact O-N 3.31Å; P222-I235 HydrophobicContact CB-CD1 3.98Å; P222-I235 HydrophobicContact CB-CG1 4.33Å; P222-I235 HydrophobicContact CG-CD1 4.05Å; P222-I235 HydrophobicContact CG-CG1 3.83Å
223R97.1Very high95.1Very high113 Ų11369.2 Ų69.243%0.42636%0.362SS..BIsolated β-bridgetrans-127.3139.1179.1-69.9-179.8-179.5-79.7-10.1112.9F216 D221 E228 D229F216-R223 WeakPolarHBondContact CE1-O 3.25Å; F216-R223 WeakPolarHBondContact CZ-O 3.46Å; D221-R223 PolarHBondContact O-N 3.13Å; D221-R223 IonicContact OD1-NH2 2.73Å; D221-R223 IonicContact OD2-CZ 3.42Å; D221-R223 VanDerWaalsContact OD2-CZ 3.25Å; D221-R223 IonicContact OD2-NE 2.73Å; D221-R223 PolarHBondContact OD2-NE 2.82Å; D221-R223 IonicContact OD2-NH2 3.19Å; D221-R223 PolarHBondContact OD2-NH2 3.07Å; R223-E228 WeakPolarHBondContact CD-O 3.28Å; R223-E228 WeakPolarHBondContact CG-O 3.27Å; R223-E228 PolarHBondContact NH1-O 3.24Å; R223-D229 CarbonylContact C-O 3.52Å; R223-D229 VanDerWaalsContact CA-O 3.26Å; R223-D229 WeakPolarHBondContact CA-O 3.11Å
224C97.8Very high95Very high2 Ų277.2 Ų77.21%0.01440%0.399CS..  trans-52.7125.8177.3-179.30000110.8C198 C203 I205 A226 E228 D229 W231C198-C224 VanDerWaalsContact SG-SG 3.62Å; C203-C224 VanDerWaalsContact SG-SG 3.65Å; I205-C224 WeakPolarHBondContact CD1-SG 3.16Å; C224-A226 PolarHBondContact O-N 3.1Å; C224-A226 VanDerWaalsContact O-N 3.17Å; C224-E228 VanDerWaalsContact O-CA 3.26Å; C224-E228 WeakPolarHBondContact O-CA 3.44Å; C224-E228 PolarHBondContact O-N 3.23Å; C224-D229 PolarHBondContact N-O 2.96Å; C224-W231 HydrophobicContact CB-CE3 4.06Å; C224-W231 HydrophobicContact CB-CZ3 4.31Å
225P97.3Very high95Very high37 Ų3774.2 Ų74.224%0.2439%0.39CS..THydrogen-bonded Turntrans-64.6-16.2179.323.8-34.6000114.6I187 I205 I207 Y215I187-P225 HydrophobicContact CD1-CG 4.24Å; I205-P225 HydrophobicContact CD1-CG 3.61Å; I207-P225 HydrophobicContact CD1-CG 3.74Å; Y215-P225 HydrophobicContact CE1-CB 4.07Å; Y215-P225 HydrophobicContact CE1-CG 4.28Å
226A97.4Very high94.7Very high53 Ų5372.3 Ų72.344%0.43839%0.387SS..THydrogen-bonded Turntrans-100.6-39.8-177.500000113.9I205 C224I205-A226 HydrophobicContact CD1-CB 3.92Å; I205-A226 HydrophobicContact CG1-CB 4.42Å; I205-A226 HydrophobicContact CG2-CB 3.72Å; C224-A226 PolarHBondContact O-N 3.1Å; C224-A226 VanDerWaalsContact O-N 3.17Å
227C97.7Very high94.3Very high39 Ų3979.8 Ų79.826%0.26443%0.427SS..THydrogen-bonded Turntrans-120.4-0.3-175.970.30000114.6C203 D229C203-C227 HydrophobicContact CB-CB 3.99Å; C203-C227 VanDerWaalsContact SG-SG 3.62Å; C227-D229 PolarHBondContact O-N 3.09Å; C227-D229 PolarHBondContact SG-OD2 3.4Å; C227-D229 VanDerWaalsContact SG-OD2 3.38Å
228E96.8Very high93.7Very high149 Ų14975.4 Ų75.470%0.69641%0.412SS*.  trans62.42.2179-54.8-172.6163.800116.7R223 C224R223-E228 WeakPolarHBondContact CD-O 3.28Å; R223-E228 WeakPolarHBondContact CG-O 3.27Å; R223-E228 PolarHBondContact NH1-O 3.24Å; C224-E228 VanDerWaalsContact O-CA 3.26Å; C224-E228 WeakPolarHBondContact O-CA 3.44Å; C224-E228 PolarHBondContact O-N 3.23Å
229D97.5Very high93.1Very high70 Ų7077.3 Ų77.337%0.37439%0.394SS..  trans-63.3156.7171.3-72-34.8000112.3N200 R223 C224 C227 W231N200-D229 WeakPolarHBondContact CB-OD2 3.38Å; N200-D229 PolarHBondContact ND2-OD2 3.34Å; R223-D229 CarbonylContact C-O 3.52Å; R223-D229 VanDerWaalsContact CA-O 3.26Å; R223-D229 WeakPolarHBondContact CA-O 3.11Å; C224-D229 PolarHBondContact N-O 2.96Å; C227-D229 PolarHBondContact O-N 3.09Å; C227-D229 PolarHBondContact SG-OD2 3.4Å; C227-D229 VanDerWaalsContact SG-OD2 3.38Å; D229-W231 PolarHBondContact O-N 3.11Å
230F96.4Very high91.9Very high122 Ų12279.7 Ų79.754%0.53540%0.403SS..BIsolated β-bridgetrans-55.5133.7174.5-179.4-106.6000110.9P232F230-P232 VanDerWaalsContact O-CD 3.31Å; F230-P232 WeakPolarHBondContact O-CD 3.43Å
231W97.3Very high90.5Very high2 Ų274.3 Ų74.31%0.00837%0.371CS..  trans-84.4109.5175.1-165.6-97.3000108.9Q196 C198 I205 I207 V212 F216 P222 C224 D229 H233Q196-W231 HydrophobicContact CB-CZ2 3.66Å; C198-W231 HydrophobicContact CB-CH2 4.47Å; C198-W231 HydrophobicContact CB-CZ3 3.87Å; I205-W231 HydrophobicContact CD1-CZ3 4.35Å; I205-W231 HydrophobicContact CG1-CZ3 4.35Å; I207-W231 HydrophobicContact CB-CH2 4.33Å; I207-W231 HydrophobicContact CB-CZ2 4.44Å; I207-W231 HydrophobicContact CD1-CH2 3.66Å; I207-W231 HydrophobicContact CD1-CZ2 4.21Å; I207-W231 HydrophobicContact CD1-CZ3 4.02Å; I207-W231 HydrophobicContact CG1-CH2 3.92Å; I207-W231 HydrophobicContact CG1-CZ2 4.48Å; V212-W231 HydrophobicContact CG2-CZ2 4.09Å; F216-W231 AromaticContact CE2-CD2 3.91Å; F216-W231 HydrophobicContact CE2-CD2 3.91Å; F216-W231 HydrophobicContact CE2-CE3 4.47Å; F216-W231 AromaticContact CE2-CG 3.92Å; F216-W231 HydrophobicContact CE2-CG 3.92Å; F216-W231 HydrophobicContact CZ-CB 4.18Å; F216-W231 HydrophobicContact CZ-CD2 4.01Å; F216-W231 HydrophobicContact CZ-CE3 4.26Å; F216-W231 AromaticContact CZ-CG 3.99Å; F216-W231 HydrophobicContact CZ-CG 3.99Å; P222-W231 HydrophobicContact CB-CB 3.87Å; P222-W231 PolarHBondContact O-N 3.31Å; C224-W231 HydrophobicContact CB-CE3 4.06Å; C224-W231 HydrophobicContact CB-CZ3 4.31Å; D229-W231 PolarHBondContact O-N 3.11Å; W231-H233 VanDerWaalsContact C-N 3.26Å; W231-H233 AromaticContact CE2-CD2 3.86Å; W231-H233 AromaticContact NE1-CD2 3.69Å; W231-H233 PolarHBondContact O-N 2.79Å
232P92.8Very high88.4Confident54 Ų5475.6 Ų75.635%0.35138%0.383SS..  trans-78.5-12.4-16731.3-34000113.6E199 F230E199-P232 HydrophobicContact CB-CG 4.18Å; E199-P232 HydrophobicContact CG-CG 3.69Å; E199-P232 WeakPolarHBondContact OE2-CG 3.42Å; F230-P232 VanDerWaalsContact O-CD 3.31Å; F230-P232 WeakPolarHBondContact O-CD 3.43Å
233H93.8Very high86.1Confident54 Ų5478.9 Ų78.925%0.2541%0.407CS..SBendtrans-86.6149.6-174.6-53.8-63.2000112.3Q196 M197 E199 W231 I235Q196-H233 VanDerWaalsContact CD-CB 3.42Å; Q196-H233 HydrophobicContact CG-CB 4.15Å; Q196-H233 VanDerWaalsContact OE1-CB 3.28Å; M197-H233 PolarHBondContact O-NE2 2.83Å; E199-H233 IonicContact OE1-CE1 3.34Å; E199-H233 PolarHBondContact OE1-CE1 3.37Å; W231-H233 VanDerWaalsContact C-N 3.26Å; W231-H233 AromaticContact CE2-CD2 3.86Å; W231-H233 AromaticContact NE1-CD2 3.69Å; W231-H233 PolarHBondContact O-N 2.79Å; H233-I235 PolarHBondContact O-N 3.08Å
234E92.8Very high83.6Confident172 Ų17276 Ų7680%0.80440%0.404SS*.  trans-59.3133.4168.9-173.9176.4-179.900110.3Q196 P236Q196-E234 PolarHBondContact NE2-O 3.21Å; E234-P236 VanDerWaalsContact O-CD 3.3Å; E234-P236 WeakPolarHBondContact O-CD 3.41Å
235I93.3Very high80.9Confident47 Ų4782.2 Ų82.224%0.24143%0.432CS..  trans-80.5115.9178-55-52.6000108.3V212 F216 P222 H233V212-I235 HydrophobicContact CG1-CD1 3.77Å; V212-I235 HydrophobicContact CG1-CG2 4.41Å; F216-I235 HydrophobicContact CB-CD1 3.84Å; F216-I235 HydrophobicContact CB-CG1 4.07Å; F216-I235 HydrophobicContact CB-CG2 3.81Å; F216-I235 HydrophobicContact CD2-CD1 3.62Å; F216-I235 HydrophobicContact CE2-CD1 4.35Å; F216-I235 HydrophobicContact CG-CD1 3.84Å; P222-I235 HydrophobicContact CB-CD1 3.98Å; P222-I235 HydrophobicContact CB-CG1 4.33Å; P222-I235 HydrophobicContact CG-CD1 4.05Å; P222-I235 HydrophobicContact CG-CG1 3.83Å; H233-I235 PolarHBondContact O-N 3.08Å
236P91.1Very high77.9Confident34 Ų3484.9 Ų84.922%0.22145%0.452CS..  trans-65.8150.7-179.6-14.327.4000111.3T209 A213 E234T209-P236 HydrophobicContact CG2-CB 3.93Å; T209-P236 HydrophobicContact CG2-CG 3.44Å; T209-P236 VanDerWaalsContact CG2-CG 3.44Å; A213-P236 WeakPolarHBondContact CA-O 3.44Å; A213-P236 HydrophobicContact CB-CB 4.23Å; A213-P236 WeakPolarHBondContact CB-O 3.49Å; E234-P236 VanDerWaalsContact O-CD 3.3Å; E234-P236 WeakPolarHBondContact O-CD 3.41Å
237D86.8Confident75Confident159 Ų15990.4 Ų90.485%0.8547%0.469SS*.  trans-66141.1172.1-81.6-40.1000111.6Y239D237-Y239 PolarHBondContact O-N 2.7Å; D237-Y239 VanDerWaalsContact O-N 3.1Å
238V79.6Confident71.9Confident42 Ų4293.9 Ų93.926%0.25549%0.489SS..  trans-71.1109.9171.7-178.80000108.5A213 K217 R240A213-V238 HydrophobicContact CB-CG2 3.95Å; A213-V238 VanDerWaalsContact O-CG2 3.28Å; A213-V238 WeakPolarHBondContact O-CG2 3.41Å; K217-V238 HydrophobicContact CD-CG2 4.23Å; K217-V238 HydrophobicContact CG-CG2 4.4Å; V238-R240 PolarHBondContact O-N 3.04Å
239Y76.1Confident69Low121 Ų12195 Ų9548%0.47550%0.495SS..  trans-54.3125.8172.2-177.5-97000110.7D73 L75 D237 P241D73-Y239 HydrophobicContact CB-CD1 4.23Å; D73-Y239 HydrophobicContact CB-CE1 4.42Å; D73-Y239 HydrophobicContact CB-CG 4.46Å; D73-Y239 VanDerWaalsContact O-CB 3.27Å; D73-Y239 WeakPolarHBondContact O-CB 3.4Å; D73-Y239 WeakPolarHBondContact O-CD1 3.2Å; L75-Y239 HydrophobicContact CD1-CD1 4.49Å; L75-Y239 HydrophobicContact CD1-CE1 3.99Å; L75-Y239 HydrophobicContact CD2-CD1 3.91Å; L75-Y239 HydrophobicContact CD2-CE1 4.08Å; L75-Y239 HydrophobicContact CG-CD1 4.09Å; L75-Y239 HydrophobicContact CG-CE1 4.1Å; D237-Y239 PolarHBondContact O-N 2.7Å; D237-Y239 VanDerWaalsContact O-N 3.1Å; Y239-P241 HydrophobicContact CE1-CB 4.06Å
240R67.2Low66Low167 Ų16797 Ų9763%0.6351%0.513SS*.  trans-113.5113.4173.7-67.2-170.9-159.1-179.47.8109.1V238V238-R240 PolarHBondContact O-N 3.04Å
241P61.7Low63.1Low35 Ų3596 Ų9623%0.22753%0.528CS..  trans-64.6145174.924.5-30000110L75 Y239 S243 S244L75-P241 HydrophobicContact CD2-CB 4.33Å; L75-P241 HydrophobicContact CD2-CG 3.8Å; Y239-P241 HydrophobicContact CE1-CB 4.06Å; P241-S243 PolarHBondContact O-N 3.25Å; P241-S244 PolarHBondContact O-N 3.04Å; P241-S244 PolarHBondContact O-OG 3.42Å
242P49.7Very low60.2Low101 Ų101100.1 Ų100.166%0.65656%0.562SS**G310 helixtrans-53.8-31.1-174.3-26.532.5000114.6S244 Q245P242-S244 PolarHBondContact O-N 3.37Å; P242-S244 VanDerWaalsContact O-N 3.15Å; P242-Q245 PolarHBondContact O-N 3.36Å
243S48.8Very low57.6Low84 Ų84106.9 Ų106.959%0.58759%0.586SS**G310 helixtrans-68.5-8.5-179.657.50000114.9P241 S246P241-S243 PolarHBondContact O-N 3.25Å; S243-S246 PolarHBondContact O-OG 3.15Å
244S44Very low54.9Low52 Ų52113.1 Ų113.136%0.36462%0.616SS.*G310 helixtrans-90.9-5.8178.860.80000114.1P241 P242P241-S244 PolarHBondContact O-N 3.04Å; P241-S244 PolarHBondContact O-OG 3.42Å; P242-S244 PolarHBondContact O-N 3.37Å; P242-S244 VanDerWaalsContact O-N 3.15Å
245Q40.3Very low52.2Low132 Ų132112.9 Ų112.962%0.61762%0.62SS**THydrogen-bonded Turntrans-82.8-15.5-178.2-64.8-1734.800113.9P242P242-Q245 PolarHBondContact O-N 3.36Å
246S34.2Very low49.4Very low93 Ų93117.5 Ų117.565%0.6565%0.651SS**THydrogen-bonded Turntrans-82-11.5-175.544.60000115.2S243S243-S246 PolarHBondContact O-OG 3.15Å
247E37.5Very low46.8Very low169 Ų169120.4 Ų120.479%0.7968%0.677SS**SBendtrans-102-14.6-175.5-69.1-176.316300114.3
248T31.6Very low44.4Very low113 Ų113118.7 Ų118.769%0.69368%0.675SS**SBendtrans-90.4-3.2-175.228.30000116.1
249Q36Very low42.4Very low173 Ų173123.2 Ų123.281%0.80870%0.703SS**SBendtrans-95.1-7.7-178.7-69.6-172.418.500114.9
250S34.7Very low40.6Very low110 Ų110123.3 Ų123.377%0.76972%0.718SS**SBendtrans-91.6-5.8-174.3-550000115.1
251A35.7Very low38.9Very low101 Ų101127.1 Ų127.184%0.83573%0.732SS**SBendtrans-99.41.6-174.100000115.4
252A37.2Very low37.6Very low89 Ų89131 Ų13174%0.73676%0.761SS**SBendtrans-111.610.3-172.300000115.6
253K37.8Very low36.9Very low196 Ų196132.7 Ų132.785%0.85277%0.769SS**SBendtrans-138.469.6178-71.4-171.7-180179.20112.6
254E37.3Very low36.2Very low186 Ų186133.5 Ų133.587%0.86978%0.781SS**  trans-166.891150.6-115.5169178.400109.8
255N35.7Very low35.9Very low166 Ų166140 Ų14089%0.88881%0.805SS**  trans-174.983.2144.6-95-21.8000110
256T35Very low35.7Very low145 Ų145140.2 Ų140.289%0.8982%0.816SS**  trans-136.994.2154.8-6.90000107.6
257A36.4Very low35.9Very low95 Ų95147.1 Ų147.179%0.78583%0.828SS**PPolyproline II helixtrans-69.6136171.500000109.9
258P36.1Very low36.1Very low123 Ų123150.5 Ų150.580%0.79983%0.833SS**PPolyproline II helixtrans-87.5131.6172.231.1-26.8000111
259T36.9Very low36.3Very low136 Ų136152.4 Ų152.483%0.83485%0.845SS**PPolyproline II helixtrans-66.4138.9172.6-0.40000111.3
260P37.9Very low36.6Very low123 Ų123154.4 Ų154.480%0.79985%0.845SS**PPolyproline II helixtrans-82.1132.217830.8-30.8000112
261R32.3Very low36.9Very low247 Ų247159.2 Ų159.293%0.93285%0.846SS**PPolyproline II helixtrans-75.6119.1170.9-109.9177171.7-170.9-2109.9
262S34.4Very low37.2Very low118 Ų118163 Ų16383%0.82587%0.867SS**PPolyproline II helixtrans-74.1128.8169.5179.80000110.8
263T34.3Very low37.2Very low136 Ų136166.8 Ų166.883%0.83487%0.874SS**PPolyproline II helixtrans-98.5125.6170.934.60000108.7
264A34.8Very low37.2Very low100 Ų100165.2 Ų165.283%0.82688%0.875SS**  trans-133.1105.8164.800000109
265Q38.2Very low37.1Very low188 Ų188164.1 Ų164.188%0.87988%0.875SS**  trans-91.5128.5163-79.3178.9-16.700108.8
266T36.3Very low37.2Very low137 Ų137163.9 Ų163.984%0.8488%0.875SS**  trans-154.5105142.5-30.80000112.8
267R36.9Very low37.4Very low238 Ų238165.1 Ų165.190%0.89887%0.874SS**  41.2113.6129.5-121173-176-179.10.2121.6
268R42Very low37.4Very low240 Ų240169.8 Ų169.891%0.90688%0.88SS**  trans10.4133.6138.4-73.2179.2169.7174-2.5119.7
269T37.2Very low37.5Very low154 Ų154173.1 Ų173.195%0.94589%0.885SS**  -150.6162.5129.430.90000112.1
270R42.4Very low37.6Very low214 Ų214176 Ų17681%0.80889%0.889SS**  trans-110.4167.1-153.7-156.8-170.9-175.2178.50110.7
271R40Very low37.6Very low211 Ų211180.4 Ų180.480%0.79690%0.897SS**  trans73.6141.6160.8-77.9175.7172.7-171.5-4.7115.2
272S41.8Very low38Very low182 Ų182174.4 Ų174.4100%1.27389%0.894SS**  cis-153.2012.3-101.50000108.8

Retrieved 272 of 272 residues in 1522.4 ms (Link to these results)

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