A0A3Q0KCK6_SCHMA Loading...

TIR domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KCK6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 101 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
1M61.6Low83.9Confident187 Ų18795.5 Ų95.592%0.92151%0.51SS*.  0-72.70-59.8-156.4-60.300112Q3 D4 V5M1-Q3 PolarHBondContact O-N 2.92Å; M1-D4 WeakPolarHBondContact CA-OD2 3.45Å; M1-D4 PolarHBondContact N-OD2 3Å; M1-D4 PolarHBondContact O-N 3.33Å; M1-V5 WeakPolarHBondContact O-CG2 3.47Å; M1-V5 PolarHBondContact O-N 3.49Å; M1-V5 VanDerWaalsContact O-N 3.11Å
2V73.2Confident84.9Confident103 Ų10389.6 Ų89.662%0.62448%0.484SS*.Hα-helixtrans-64.6-40.6-175.1179.80000113.1K6V2-K6 WeakPolarHBondContact O-CG 3.36Å; V2-K6 PolarHBondContact O-N 2.9Å
3Q74.4Confident85.9Confident130 Ų13089.9 Ų89.961%0.60749%0.485SS*.Hα-helixtrans-66.9-40.9177.9-66.4-68.71.600111.7M1 V5 K6 I7M1-Q3 PolarHBondContact O-N 2.92Å; Q3-V5 PolarHBondContact O-N 3.36Å; Q3-K6 PolarHBondContact O-N 3.44Å; Q3-I7 WeakPolarHBondContact O-CG1 3.49Å; Q3-I7 PolarHBondContact O-N 3.26Å
4D78.2Confident86.7Confident91 Ų9187.9 Ų87.949%0.48749%0.486SS..Hα-helixtrans-63.8-42.8179.7-46.7-53.4000111.6M1 K6 I7 L8M1-D4 WeakPolarHBondContact CA-OD2 3.45Å; M1-D4 PolarHBondContact N-OD2 3Å; M1-D4 PolarHBondContact O-N 3.33Å; D4-K6 VanDerWaalsContact C-N 3.35Å; D4-K6 PolarHBondContact O-N 3.44Å; D4-I7 PolarHBondContact O-N 3.48Å; D4-L8 WeakPolarHBondContact O-CG 3.42Å; D4-L8 PolarHBondContact O-N 3.43Å
5V80.2Confident87.5Confident80 Ų8082.4 Ų82.449%0.48546%0.456SS..Hα-helixtrans-59.9-45.5175.9173.50000110.8M1 Q3 I7 L8 D9M1-V5 WeakPolarHBondContact O-CG2 3.47Å; M1-V5 PolarHBondContact O-N 3.49Å; M1-V5 VanDerWaalsContact O-N 3.11Å; Q3-V5 PolarHBondContact O-N 3.36Å; V5-I7 VanDerWaalsContact C-N 3.31Å; V5-I7 PolarHBondContact O-N 3.37Å; V5-L8 PolarHBondContact O-N 3.34Å; V5-D9 VanDerWaalsContact O-CG 3.28Å; V5-D9 PolarHBondContact O-N 3.26Å
6K88.6Confident88.1Confident127 Ų12782.8 Ų82.855%0.55245%0.454SS*.Hα-helixtrans-61.7-38177.6-71.7178.8178.6-173.70113V2 Q3 D4 A10V2-K6 WeakPolarHBondContact O-CG 3.36Å; V2-K6 PolarHBondContact O-N 2.9Å; Q3-K6 PolarHBondContact O-N 3.44Å; D4-K6 VanDerWaalsContact C-N 3.35Å; D4-K6 PolarHBondContact O-N 3.44Å; K6-A10 WeakPolarHBondContact O-CB 3.49Å; K6-A10 PolarHBondContact O-N 2.77Å
7I90.4Very high88.7Confident69 Ų6985.1 Ų85.135%0.35447%0.465SS..Hα-helixtrans-67.5-45.6177.9-69.2164.7000110.2Q3 D4 V5 A10 M11Q3-I7 WeakPolarHBondContact O-CG1 3.49Å; Q3-I7 PolarHBondContact O-N 3.26Å; D4-I7 PolarHBondContact O-N 3.48Å; V5-I7 VanDerWaalsContact C-N 3.31Å; V5-I7 PolarHBondContact O-N 3.37Å; I7-A10 PolarHBondContact O-N 3.13Å; I7-M11 HydrophobicContact CG2-CG 4.43Å; I7-M11 HydrophobicContact CG2-SD 3.57Å; I7-M11 VanDerWaalsContact CG2-SD 3.57Å; I7-M11 VanDerWaalsContact O-CG 3.28Å; I7-M11 WeakPolarHBondContact O-CG 3.33Å; I7-M11 PolarHBondContact O-N 3.25Å
8L91.9Very high89.2Confident66 Ų6681.8 Ų81.835%0.34645%0.451SS..Hα-helixtrans-62.4-43177.5-69.8174.5000112D4 V5 A10 M11 A12 D37D4-L8 WeakPolarHBondContact O-CG 3.42Å; D4-L8 PolarHBondContact O-N 3.43Å; V5-L8 PolarHBondContact O-N 3.34Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 3.23Å; L8-M11 PolarHBondContact O-N 2.94Å; L8-A12 VanDerWaalsContact O-CB 3.31Å; L8-A12 WeakPolarHBondContact O-CB 3.5Å; L8-A12 PolarHBondContact O-N 3.4Å; L8-D37 HydrophobicContact CD2-CB 4.09Å
9D94.3Very high89.5Confident102 Ų10281.7 Ų81.755%0.54546%0.462SS..Hα-helixtrans-62.6-40.8176.4-69.1-23.8000111.5V5 N13V5-D9 VanDerWaalsContact O-CG 3.28Å; V5-D9 PolarHBondContact O-N 3.26Å; D9-N13 WeakPolarHBondContact O-CB 3.39Å; D9-N13 PolarHBondContact O-N 2.91Å
10A95.1Very high89.8Confident63 Ų6379.4 Ų79.452%0.52145%0.448SS..Hα-helixtrans-65.9-42.4176.900000112.1K6 I7 L8 A14K6-A10 WeakPolarHBondContact O-CB 3.49Å; K6-A10 PolarHBondContact O-N 2.77Å; I7-A10 PolarHBondContact O-N 3.13Å; L8-A10 VanDerWaalsContact C-N 3.33Å; L8-A10 PolarHBondContact O-N 3.23Å; A10-A14 WeakPolarHBondContact O-CB 3.29Å; A10-A14 PolarHBondContact O-N 2.97Å
11M95Very high90.2Very high33 Ų3376.3 Ų76.316%0.16343%0.432CS..Hα-helixtrans-65.7-44.2175.9-70.1160.959.800111.7I7 L8 N13 A14 V15 N34 E38I7-M11 HydrophobicContact CG2-CG 4.43Å; I7-M11 HydrophobicContact CG2-SD 3.57Å; I7-M11 VanDerWaalsContact CG2-SD 3.57Å; I7-M11 VanDerWaalsContact O-CG 3.28Å; I7-M11 WeakPolarHBondContact O-CG 3.33Å; I7-M11 PolarHBondContact O-N 3.25Å; L8-M11 PolarHBondContact O-N 2.94Å; M11-N13 VanDerWaalsContact C-N 3.33Å; M11-N13 PolarHBondContact O-N 3.44Å; M11-A14 PolarHBondContact O-N 3.14Å; M11-V15 WeakPolarHBondContact O-CG2 3.45Å; M11-V15 PolarHBondContact O-N 3.46Å; M11-N34 HydrophobicContact CE-CB 3.97Å; M11-N34 WeakPolarHBondContact CE-O 3.47Å; M11-N34 HydrophobicContact SD-CB 4.12Å; M11-E38 HydrophobicContact CE-CB 3.7Å
12A96.3Very high91.9Very high24 Ų2470.6 Ų70.620%0.19840%0.404CS..Hα-helixtrans-58.4-4717700000111L8 A14 V15 E16 Y41L8-A12 VanDerWaalsContact O-CB 3.31Å; L8-A12 WeakPolarHBondContact O-CB 3.5Å; L8-A12 PolarHBondContact O-N 3.4Å; A12-A14 VanDerWaalsContact C-N 3.35Å; A12-A14 PolarHBondContact O-N 3.39Å; A12-V15 PolarHBondContact O-N 3.38Å; A12-E16 WeakPolarHBondContact O-CB 3.39Å; A12-E16 VanDerWaalsContact O-CG 3.31Å; A12-E16 WeakPolarHBondContact O-CG 3.26Å; A12-E16 PolarHBondContact O-N 3.03Å; A12-Y41 HydrophobicContact CB-CD1 4.15Å; A12-Y41 HydrophobicContact CB-CE1 3.72Å
13N97.6Very high93.1Very high94 Ų9465.8 Ų65.850%0.50338%0.375SS..Hα-helixtrans-60-43.4176-173.1-58.2000112.1D9 M11 V15 E16 N17D9-N13 WeakPolarHBondContact O-CB 3.39Å; D9-N13 PolarHBondContact O-N 2.91Å; M11-N13 VanDerWaalsContact C-N 3.33Å; M11-N13 PolarHBondContact O-N 3.44Å; N13-V15 PolarHBondContact O-N 3.41Å; N13-E16 PolarHBondContact O-N 3.14Å; N13-N17 WeakPolarHBondContact O-CB 3.34Å; N13-N17 PolarHBondContact O-N 3.47Å; N13-N17 PolarHBondContact O-ND2 3.39Å; N13-N17 PolarHBondContact OD1-ND2 3.35Å
14A97.6Very high94.2Very high61 Ų6163.6 Ų63.650%0.50437%0.367SS..Hα-helixtrans-60.9-44.8177.500000111.8A10 M11 A12 A18A10-A14 WeakPolarHBondContact O-CB 3.29Å; A10-A14 PolarHBondContact O-N 2.97Å; M11-A14 PolarHBondContact O-N 3.14Å; A12-A14 VanDerWaalsContact C-N 3.35Å; A12-A14 PolarHBondContact O-N 3.39Å; A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.45Å; A14-A18 PolarHBondContact O-N 2.92Å
15V97.9Very high95.2Very high6 Ų659.2 Ų59.24%0.03634%0.344CS..Hα-helixtrans-66.8-43178174.90000111.4M11 A12 N13 N17 A18 E38 Y41 L45 K47M11-V15 WeakPolarHBondContact O-CG2 3.45Å; M11-V15 PolarHBondContact O-N 3.46Å; A12-V15 PolarHBondContact O-N 3.38Å; N13-V15 PolarHBondContact O-N 3.41Å; V15-N17 VanDerWaalsContact C-N 3.32Å; V15-N17 PolarHBondContact O-N 2.97Å; V15-A18 PolarHBondContact O-N 3.45Å; V15-E38 HydrophobicContact CG2-CG 4.22Å; V15-Y41 HydrophobicContact CB-CD1 3.97Å; V15-Y41 HydrophobicContact CG1-CD1 3.94Å; V15-L45 HydrophobicContact CG1-CD1 4.22Å; V15-K47 HydrophobicContact CG1-CG 4.16Å; V15-K47 WeakPolarHBondContact O-CE 3.39Å
16E97.9Very high96.1Very high89 Ų8955.9 Ų55.942%0.41632%0.324SS..Hα-helixtrans-60.6-40.8179-78.5168-167.300112.4A12 N13 Y41 L45 K47A12-E16 WeakPolarHBondContact O-CB 3.39Å; A12-E16 VanDerWaalsContact O-CG 3.31Å; A12-E16 WeakPolarHBondContact O-CG 3.26Å; A12-E16 PolarHBondContact O-N 3.03Å; N13-E16 PolarHBondContact O-N 3.14Å; E16-Y41 HydrophobicContact CG-CE1 3.94Å; E16-Y41 PolarHBondContact OE1-OH 3.32Å; E16-L45 HydrophobicContact CG-CD1 3.66Å; E16-K47 WeakPolarHBondContact O-CE 3.31Å; E16-K47 PolarHBondContact O-NZ 2.96Å
17N97.6Very high96.5Very high121 Ų12154.2 Ų54.265%0.64732%0.316SS*.Hα-helixtrans-89.5-8.2-178.1-68-71.8000113.8N13 V15N13-N17 WeakPolarHBondContact O-CB 3.34Å; N13-N17 PolarHBondContact O-N 3.47Å; N13-N17 PolarHBondContact O-ND2 3.39Å; N13-N17 PolarHBondContact OD1-ND2 3.35Å; V15-N17 VanDerWaalsContact C-N 3.32Å; V15-N17 PolarHBondContact O-N 2.97Å
18A97.1Very high96.9Very high26 Ų2655 Ų5522%0.21533%0.328CS..  trans-73138.4175.700000111.7A14 V15 V21 K47A14-A18 VanDerWaalsContact O-CB 3.29Å; A14-A18 WeakPolarHBondContact O-CB 3.45Å; A14-A18 PolarHBondContact O-N 2.92Å; V15-A18 PolarHBondContact O-N 3.45Å; A18-V21 HydrophobicContact CB-CG2 4.05Å; A18-K47 PolarHBondContact O-NZ 3.22Å
19A95.4Very high97.2Very high80 Ų8052.9 Ų52.966%0.66132%0.316SS*.SBendtrans-76.1-40.3166.800000111.3P48A19-P48 WeakPolarHBondContact O-CD 3.49Å; A19-P48 WeakPolarHBondContact O-CG 3.41Å
20I96.2Very high97.4Very high35 Ų3548.9 Ų48.918%0.17929%0.294CS..SBendtrans-140.8139.8179.5-58.8173.4000107.5L22 P48 I50 I93 V96I20-L22 HydrophobicContact CG2-CD2 4.25Å; I20-P48 CarbonylContact C-O 3.57Å; I20-P48 WeakPolarHBondContact CA-O 3.26Å; I20-P48 HydrophobicContact CG1-CB 4.29Å; I20-I50 HydrophobicContact CG2-CD1 3.89Å; I20-I50 HydrophobicContact CG2-CG1 4.01Å; I20-I93 HydrophobicContact CD1-CB 4.48Å; I20-I93 HydrophobicContact CD1-CG2 4.06Å; I20-V96 HydrophobicContact CD1-CB 3.92Å; I20-V96 HydrophobicContact CD1-CG1 3.63Å; I20-V96 HydrophobicContact CG1-CG1 3.86Å
21V97.5Very high97.5Very high16 Ų1650.7 Ų50.710%0.09730%0.295CS..EExtended strand (participates in β ladder)trans-105.5125.2174.5-177.80000109.6A18 I23 T42 K47 P48 A49 I50A18-V21 HydrophobicContact CB-CG2 4.05Å; V21-I23 HydrophobicContact CG1-CG1 4.17Å; V21-T42 HydrophobicContact CB-CG2 3.72Å; V21-T42 HydrophobicContact CG1-CG2 4.04Å; V21-T42 HydrophobicContact CG2-CG2 3.73Å; V21-K47 HydrophobicContact CG2-CB 4.29Å; V21-P48 PolarHBondContact N-O 2.97Å; V21-A49 CarbonylContact O-C 3.19Å; V21-A49 VanDerWaalsContact O-CA 3.24Å; V21-A49 WeakPolarHBondContact O-CA 3.35Å; V21-I50 PolarHBondContact O-N 2.86Å
22L97.9Very high97.6Very high67 Ų6751.2 Ų51.235%0.35130%0.302SS..EExtended strand (participates in β ladder)trans-93.7114.2173.8-56.1-174.7000109.3I20 L24 I50 L52 L89I20-L22 HydrophobicContact CG2-CD2 4.25Å; L22-L24 HydrophobicContact CB-CD1 3.93Å; L22-I50 WeakPolarHBondContact CA-O 3.21Å; L22-I50 HydrophobicContact CD2-CB 3.74Å; L22-I50 HydrophobicContact CD2-CD1 4.01Å; L22-I50 HydrophobicContact CD2-CG1 4.29Å; L22-I50 HydrophobicContact CD2-CG2 4.37Å; L22-L52 HydrophobicContact CB-CD1 4.37Å; L22-L52 HydrophobicContact CD1-CD1 4.42Å; L22-L89 HydrophobicContact CD1-CD2 4.37Å; L22-L89 HydrophobicContact CD2-CD1 4.09Å
23I97.9Very high97.5Very high1 Ų156.6 Ų56.61%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-96.8100.7178.8-66.4176000108.6V21 F25 Y29 A39 A49 I50 F51 L52V21-I23 HydrophobicContact CG1-CG1 4.17Å; I23-F25 HydrophobicContact CG2-CB 4.4Å; I23-F25 PolarHBondContact O-N 3.5Å; I23-Y29 HydrophobicContact CG2-CD1 4.49Å; I23-Y29 HydrophobicContact CG2-CE1 3.72Å; I23-Y29 HydrophobicContact CG2-CE2 4.38Å; I23-A39 HydrophobicContact CD1-CB 4.27Å; I23-A49 HydrophobicContact CD1-CB 4.16Å; I23-I50 PolarHBondContact N-O 3.45Å; I23-F51 HydrophobicContact CB-CD1 3.74Å; I23-F51 HydrophobicContact CB-CE1 4.02Å; I23-F51 HydrophobicContact CD1-CD1 4.18Å; I23-F51 HydrophobicContact CD1-CE1 3.54Å; I23-F51 HydrophobicContact CD1-CZ 4.2Å; I23-F51 HydrophobicContact CG1-CE1 4.33Å; I23-F51 HydrophobicContact CG2-CD1 3.76Å; I23-F51 HydrophobicContact CG2-CE1 4.02Å; I23-L52 PolarHBondContact O-N 2.85Å
24L98.3Very high97.3Very high84 Ų8455.3 Ų55.344%0.4431%0.314SS..EExtended strand (participates in β ladder)trans-83.693.2176.4-77.667.4000108.9L22 Y29 L52 V54L22-L24 HydrophobicContact CB-CD1 3.93Å; L24-Y29 VanDerWaalsContact O-CD2 3.29Å; L24-Y29 WeakPolarHBondContact O-CD2 3.29Å; L24-L52 CarbonylContact C-O 3.56Å; L24-L52 WeakPolarHBondContact CA-O 3.34Å; L24-L52 HydrophobicContact CD1-CB 4.49Å; L24-L52 HydrophobicContact CD1-CD1 3.81Å; L24-L52 HydrophobicContact CD1-CG 4.45Å; L24-L52 HydrophobicContact CG-CB 4.26Å; L24-L52 HydrophobicContact CG-CD1 4.19Å; L24-V54 HydrophobicContact CB-CG1 3.93Å; L24-V54 HydrophobicContact CB-CG2 4.22Å; L24-V54 HydrophobicContact CD2-CG1 4.06Å; L24-V54 HydrophobicContact CG-CG1 3.88Å
25F98.3Very high97.2Very high0 Ų053.6 Ų53.60%030%0.297CS..EExtended strand (participates in β ladder)trans-92.8141.3-171.970.7-92.2000113.4I23 Y29 F51 L52 R53 V54 F58 P60 L64 M68 Y73I23-F25 HydrophobicContact CG2-CB 4.4Å; I23-F25 PolarHBondContact O-N 3.5Å; F25-Y29 HydrophobicContact CB-CD1 4.49Å; F25-F51 HydrophobicContact CD1-CB 4.03Å; F25-F51 HydrophobicContact CE1-CB 3.89Å; F25-L52 VanDerWaalsContact CD1-C 3.45Å; F25-L52 WeakPolarHBondContact CD1-O 3.19Å; F25-L52 PolarHBondContact N-O 3.1Å; F25-R53 HydrophobicContact CE1-CB 3.94Å; F25-R53 VanDerWaalsContact CE1-N 3.29Å; F25-R53 HydrophobicContact CE2-CB 3.75Å; F25-R53 HydrophobicContact CE2-CG 3.82Å; F25-R53 HydrophobicContact CZ-CB 3.39Å; F25-R53 HydrophobicContact CZ-CG 3.99Å; F25-V54 WeakPolarHBondContact O-CG2 3.41Å; F25-V54 PolarHBondContact O-N 3.23Å; F25-V54 VanDerWaalsContact O-N 3.13Å; F25-F58 AromaticContact CD2-CD1 3.74Å; F25-F58 HydrophobicContact CD2-CD1 3.74Å; F25-F58 AromaticContact CD2-CE1 3.95Å; F25-F58 HydrophobicContact CD2-CE1 3.95Å; F25-F58 HydrophobicContact CE2-CD1 4.18Å; F25-P60 HydrophobicContact CD2-CG 3.49Å; F25-P60 VanDerWaalsContact CD2-CG 3.49Å; F25-P60 HydrophobicContact CE2-CG 3.51Å; F25-P60 HydrophobicContact CG-CG 4.3Å; F25-P60 HydrophobicContact CZ-CG 4.31Å; F25-L64 HydrophobicContact CB-CD2 3.95Å; F25-M68 HydrophobicContact CD1-CE 4.07Å; F25-M68 HydrophobicContact CD1-SD 4.11Å; F25-M68 HydrophobicContact CD2-SD 4.48Å; F25-M68 HydrophobicContact CE1-CE 3.66Å; F25-M68 HydrophobicContact CE1-SD 4.28Å; F25-M68 HydrophobicContact CE2-CE 4.42Å; F25-M68 HydrophobicContact CG-SD 4.19Å; F25-M68 HydrophobicContact CZ-CE 3.83Å; F25-Y73 HydrophobicContact CE1-CD2 4.38Å; F25-Y73 HydrophobicContact CE1-CG 4.04Å; F25-Y73 HydrophobicContact CZ-CD1 4.23Å; F25-Y73 AromaticContact CZ-CD2 3.96Å; F25-Y73 HydrophobicContact CZ-CD2 3.96Å; F25-Y73 AromaticContact CZ-CG 3.81Å; F25-Y73 HydrophobicContact CZ-CG 3.81Å
26S98.5Very high97.2Very high10 Ų1058.4 Ų58.47%0.0732%0.315CS..  trans-157.8176.3-178.765.20000108.7S28 Y29 Q30 E55 F58S26-S28 VanDerWaalsContact C-N 3.31Å; S26-S28 PolarHBondContact O-N 3.49Å; S26-S28 PolarHBondContact OG-N 3.04Å; S26-S28 PolarHBondContact OG-OG 3.43Å; S26-Y29 PolarHBondContact O-N 3.39Å; S26-Y29 PolarHBondContact OG-N 3.29Å; S26-Q30 PolarHBondContact O-N 2.83Å; S26-E55 WeakPolarHBondContact CB-OE2 3.45Å; S26-F58 VanDerWaalsContact O-CE1 3.3Å; S26-F58 WeakPolarHBondContact O-CE1 3.42Å; S26-F58 WeakPolarHBondContact O-CZ 3.17Å
27K98.4Very high97.1Very high91 Ų9155.8 Ų55.840%0.39630%0.304SS..Hα-helixtrans-61.2-41.9171.7-179.153.4175.2150.80111.4Y29 Q30 D31 E55 F58K27-Y29 PolarHBondContact O-N 2.87Å; K27-Q30 PolarHBondContact O-N 3.01Å; K27-Q30 VanDerWaalsContact O-N 3.14Å; K27-D31 WeakPolarHBondContact CD-OD2 3.49Å; K27-D31 WeakPolarHBondContact CE-OD2 3.19Å; K27-D31 VanDerWaalsContact NZ-CG 3.28Å; K27-D31 IonicContact NZ-OD1 2.68Å; K27-D31 PolarHBondContact NZ-OD1 2.74Å; K27-D31 IonicContact NZ-OD2 2.86Å; K27-D31 PolarHBondContact NZ-OD2 3.23Å; K27-D31 WeakPolarHBondContact O-CB 3.49Å; K27-D31 VanDerWaalsContact O-CG 3.29Å; K27-D31 PolarHBondContact O-N 2.86Å; K27-E55 WeakPolarHBondContact CB-OE2 3.41Å; K27-E55 PolarHBondContact N-OE2 3.38Å; K27-F58 HydrophobicContact CB-CD2 4.01Å; K27-F58 HydrophobicContact CB-CE2 3.78Å; K27-F58 HydrophobicContact CB-CZ 4.41Å; K27-F58 HydrophobicContact CD-CE2 4.02Å; K27-F58 HydrophobicContact CG-CE2 4.48Å
28S98.1Very high97Very high86 Ų8652.8 Ų52.860%0.60129%0.286SS*.Hα-helixtrans-66-36.3177.158.30000112.9S26 Q30 D31 S32S26-S28 VanDerWaalsContact C-N 3.31Å; S26-S28 PolarHBondContact O-N 3.49Å; S26-S28 PolarHBondContact OG-N 3.04Å; S26-S28 PolarHBondContact OG-OG 3.43Å; S28-Q30 VanDerWaalsContact C-N 3.34Å; S28-D31 PolarHBondContact O-N 3.34Å; S28-S32 PolarHBondContact O-N 3.44Å
29Y98.2Very high97Very high21 Ų2151.6 Ų51.68%0.08228%0.276CS..Hα-helixtrans-63.5-42.3170.8-171.7-85.1000110.6I23 L24 F25 S26 K27 D31 T35 E38 W63 L64I23-Y29 HydrophobicContact CG2-CD1 4.49Å; I23-Y29 HydrophobicContact CG2-CE1 3.72Å; I23-Y29 HydrophobicContact CG2-CE2 4.38Å; L24-Y29 VanDerWaalsContact O-CD2 3.29Å; L24-Y29 WeakPolarHBondContact O-CD2 3.29Å; F25-Y29 HydrophobicContact CB-CD1 4.49Å; S26-Y29 PolarHBondContact O-N 3.39Å; S26-Y29 PolarHBondContact OG-N 3.29Å; K27-Y29 PolarHBondContact O-N 2.87Å; Y29-D31 VanDerWaalsContact C-N 3.29Å; Y29-D31 PolarHBondContact O-N 2.82Å; Y29-T35 HydrophobicContact CD2-CG2 3.41Å; Y29-T35 VanDerWaalsContact CD2-CG2 3.41Å; Y29-T35 VanDerWaalsContact CE2-CB 3.48Å; Y29-T35 HydrophobicContact CE2-CG2 3.5Å; Y29-T35 HydrophobicContact CG-CG2 4.03Å; Y29-T35 WeakPolarHBondContact O-CB 3.42Å; Y29-T35 PolarHBondContact O-OG1 3.16Å; Y29-T35 PolarHBondContact OH-O 2.86Å; Y29-E38 PolarHBondContact OH-OE1 3.34Å; Y29-W63 HydrophobicContact CD1-CH2 4.02Å; Y29-W63 AromaticContact CE1-CH2 3.83Å; Y29-W63 HydrophobicContact CE1-CH2 3.83Å; Y29-W63 HydrophobicContact CE1-CZ3 4.45Å; Y29-L64 HydrophobicContact CD1-CD1 4.18Å; Y29-L64 HydrophobicContact CD1-CD2 4.34Å; Y29-L64 HydrophobicContact CE1-CD1 4.02Å
30Q98.5Very high97.1Very high18 Ų1851.3 Ų51.38%0.08426%0.261CS..Hα-helixtrans-66.8-29.1178.8-170.2173.2-46.100113S26 K27 S28 F58 S61 W63 L64S26-Q30 PolarHBondContact O-N 2.83Å; K27-Q30 PolarHBondContact O-N 3.01Å; K27-Q30 VanDerWaalsContact O-N 3.14Å; S28-Q30 VanDerWaalsContact C-N 3.34Å; Q30-F58 HydrophobicContact CB-CZ 4.02Å; Q30-F58 VanDerWaalsContact OE1-CZ 3.29Å; Q30-S61 PolarHBondContact NE2-O 2.99Å; Q30-S61 VanDerWaalsContact NE2-O 3.08Å; Q30-S61 PolarHBondContact NE2-OG 3.5Å; Q30-S61 PolarHBondContact OE1-O 3.4Å; Q30-W63 VanDerWaalsContact CA-CZ2 3.49Å; Q30-W63 HydrophobicContact CB-CZ2 4.42Å; Q30-W63 HydrophobicContact CG-CZ2 4.23Å; Q30-W63 VanDerWaalsContact O-CE2 3.3Å; Q30-W63 VanDerWaalsContact O-CZ2 3.24Å; Q30-W63 WeakPolarHBondContact O-CZ2 3.41Å; Q30-W63 PolarHBondContact O-NE1 2.89Å; Q30-L64 HydrophobicContact CB-CD2 3.96Å; Q30-L64 HydrophobicContact CG-CB 3.99Å; Q30-L64 HydrophobicContact CG-CD2 4.25Å
31D97.9Very high97.2Very high102 Ų10252.4 Ų52.455%0.54526%0.263SS..Hα-helixtrans-90.5-10.3-175.9-69.1-15.3000113.9K27 S28 Y29K27-D31 WeakPolarHBondContact CD-OD2 3.49Å; K27-D31 WeakPolarHBondContact CE-OD2 3.19Å; K27-D31 VanDerWaalsContact NZ-CG 3.28Å; K27-D31 IonicContact NZ-OD1 2.68Å; K27-D31 PolarHBondContact NZ-OD1 2.74Å; K27-D31 IonicContact NZ-OD2 2.86Å; K27-D31 PolarHBondContact NZ-OD2 3.23Å; K27-D31 WeakPolarHBondContact O-CB 3.49Å; K27-D31 VanDerWaalsContact O-CG 3.29Å; K27-D31 PolarHBondContact O-N 2.86Å; S28-D31 PolarHBondContact O-N 3.34Å; Y29-D31 VanDerWaalsContact C-N 3.29Å; Y29-D31 PolarHBondContact O-N 2.82Å
32S96.1Very high97.2Very high44 Ų4451.8 Ų51.831%0.30826%0.259SS..  trans-87.3134.2179.1165.90000112S28 N34 T35 R36S28-S32 PolarHBondContact O-N 3.44Å; S32-N34 PolarHBondContact OG-N 3.42Å; S32-T35 WeakPolarHBondContact CB-OG1 3.06Å; S32-T35 PolarHBondContact O-OG1 2.92Å; S32-T35 PolarHBondContact OG-N 3.04Å; S32-T35 PolarHBondContact OG-OG1 2.88Å; S32-R36 PolarHBondContact O-N 3.42Å
33K95Very high97.2Very high136 Ų13654 Ų5459%0.59126%0.263SS*.Hα-helixtrans-67.2-40.7174.9173165.9169.238.50111.6R36 D37K33-R36 WeakPolarHBondContact O-CB 3.49Å; K33-R36 PolarHBondContact O-N 2.68Å; K33-D37 IonicContact NZ-OD1 3.05Å; K33-D37 PolarHBondContact NZ-OD1 2.99Å; K33-D37 IonicContact NZ-OD2 2.93Å; K33-D37 PolarHBondContact NZ-OD2 3.41Å; K33-D37 VanDerWaalsContact O-CG 3.3Å; K33-D37 PolarHBondContact O-N 2.88Å
34N93.5Very high97.1Very high68 Ų6861.3 Ų61.336%0.36430%0.295SS..Hα-helixtrans-65.1-45.6-177-65.4-8.3000110.6M11 S32 R36 D37 E38M11-N34 HydrophobicContact CE-CB 3.97Å; M11-N34 WeakPolarHBondContact CE-O 3.47Å; M11-N34 HydrophobicContact SD-CB 4.12Å; S32-N34 PolarHBondContact OG-N 3.42Å; N34-R36 VanDerWaalsContact C-N 3.27Å; N34-R36 PolarHBondContact O-N 2.9Å; N34-D37 PolarHBondContact O-N 3.46Å; N34-D37 VanDerWaalsContact O-N 3.15Å; N34-E38 PolarHBondContact O-N 3.04Å
35T95.2Very high97.1Very high25 Ų2560.3 Ų60.315%0.15329%0.289CS..Hα-helixtrans-63.8-34.3177.649.50000111.9Y29 S32 A39Y29-T35 HydrophobicContact CD2-CG2 3.41Å; Y29-T35 VanDerWaalsContact CD2-CG2 3.41Å; Y29-T35 VanDerWaalsContact CE2-CB 3.48Å; Y29-T35 HydrophobicContact CE2-CG2 3.5Å; Y29-T35 HydrophobicContact CG-CG2 4.03Å; Y29-T35 WeakPolarHBondContact O-CB 3.42Å; Y29-T35 PolarHBondContact O-OG1 3.16Å; Y29-T35 PolarHBondContact OH-O 2.86Å; S32-T35 WeakPolarHBondContact CB-OG1 3.06Å; S32-T35 PolarHBondContact O-OG1 2.92Å; S32-T35 PolarHBondContact OG-N 3.04Å; S32-T35 PolarHBondContact OG-OG1 2.88Å; T35-A39 WeakPolarHBondContact O-CB 3.36Å; T35-A39 PolarHBondContact O-N 3.46Å
36R97.3Very high96.9Very high106 Ų10667.1 Ų67.140%0.433%0.326SS..Hα-helixtrans-62.2-49.6170.9179.8177.4172.3-175.1-4.2111.9S32 K33 N34 E38 A39 E40 W63S32-R36 PolarHBondContact O-N 3.42Å; K33-R36 WeakPolarHBondContact O-CB 3.49Å; K33-R36 PolarHBondContact O-N 2.68Å; N34-R36 VanDerWaalsContact C-N 3.27Å; N34-R36 PolarHBondContact O-N 2.9Å; R36-E38 VanDerWaalsContact C-N 3.3Å; R36-E38 PolarHBondContact O-N 2.65Å; R36-A39 PolarHBondContact O-N 3Å; R36-E40 HydrophobicContact CG-CG 4.31Å; R36-E40 IonicContact CZ-OE1 2.93Å; R36-E40 VanDerWaalsContact CZ-OE1 3.3Å; R36-E40 IonicContact NE-OE1 2.69Å; R36-E40 PolarHBondContact NE-OE1 2.78Å; R36-E40 IonicContact NH2-OE1 2.76Å; R36-E40 PolarHBondContact NH2-OE1 2.83Å; R36-E40 WeakPolarHBondContact O-CB 3.25Å; R36-E40 WeakPolarHBondContact O-CG 3.15Å; R36-E40 PolarHBondContact O-N 3.06Å; R36-W63 HydrophobicContact CB-CD2 4.28Å; R36-W63 HydrophobicContact CB-CE3 4.35Å; R36-W63 HydrophobicContact CB-CH2 3.85Å; R36-W63 HydrophobicContact CB-CZ2 3.71Å; R36-W63 HydrophobicContact CB-CZ3 4.18Å; R36-W63 HydrophobicContact CG-CD2 3.86Å; R36-W63 HydrophobicContact CG-CE3 3.93Å; R36-W63 HydrophobicContact CG-CG 4.37Å; R36-W63 HydrophobicContact CG-CH2 4.34Å; R36-W63 HydrophobicContact CG-CZ2 4.23Å; R36-W63 HydrophobicContact CG-CZ3 4.2Å
37D96.1Very high96.8Very high35 Ų3569.3 Ų69.319%0.18733%0.334CS..Hα-helixtrans-62.2-38.9179.9-64.1-22.8000111.1L8 K33 N34 Y41L8-D37 HydrophobicContact CD2-CB 4.09Å; K33-D37 IonicContact NZ-OD1 3.05Å; K33-D37 PolarHBondContact NZ-OD1 2.99Å; K33-D37 IonicContact NZ-OD2 2.93Å; K33-D37 PolarHBondContact NZ-OD2 3.41Å; K33-D37 VanDerWaalsContact O-CG 3.3Å; K33-D37 PolarHBondContact O-N 2.88Å; N34-D37 PolarHBondContact O-N 3.46Å; N34-D37 VanDerWaalsContact O-N 3.15Å; D37-Y41 WeakPolarHBondContact O-CB 3.49Å; D37-Y41 PolarHBondContact O-N 2.88Å
38E95.8Very high96.6Very high57 Ų5766.5 Ų66.527%0.26633%0.325SS..Hα-helixtrans-59.2-50.9173.1-179.5-168.586.300112.3M11 V15 Y29 N34 R36 Y41 T42M11-E38 HydrophobicContact CE-CB 3.7Å; V15-E38 HydrophobicContact CG2-CG 4.22Å; Y29-E38 PolarHBondContact OH-OE1 3.34Å; N34-E38 PolarHBondContact O-N 3.04Å; R36-E38 VanDerWaalsContact C-N 3.3Å; R36-E38 PolarHBondContact O-N 2.65Å; E38-Y41 PolarHBondContact O-N 2.95Å; E38-T42 WeakPolarHBondContact O-CB 3.24Å; E38-T42 PolarHBondContact O-N 2.79Å; E38-T42 PolarHBondContact O-OG1 2.99Å
39A97.7Very high96.6Very high1 Ų164.3 Ų64.31%0.00831%0.312CS..Hα-helixtrans-66.4-40.8-179.200000112I23 T35 R36 T42 R43 W63 I67I23-A39 HydrophobicContact CD1-CB 4.27Å; T35-A39 WeakPolarHBondContact O-CB 3.36Å; T35-A39 PolarHBondContact O-N 3.46Å; R36-A39 PolarHBondContact O-N 3Å; A39-T42 PolarHBondContact O-N 3.14Å; A39-R43 WeakPolarHBondContact O-CB 3.49Å; A39-R43 PolarHBondContact O-N 3.45Å; A39-W63 HydrophobicContact CB-CZ3 3.97Å; A39-I67 HydrophobicContact CB-CD1 3.83Å
40E97.7Very high96.5Very high75 Ų7563.8 Ų63.835%0.3531%0.311SS..Hα-helixtrans-64.2-40.2175.8-74.9-177.417800111.3R36 R43 K44 I67R36-E40 HydrophobicContact CG-CG 4.31Å; R36-E40 IonicContact CZ-OE1 2.93Å; R36-E40 VanDerWaalsContact CZ-OE1 3.3Å; R36-E40 IonicContact NE-OE1 2.69Å; R36-E40 PolarHBondContact NE-OE1 2.78Å; R36-E40 IonicContact NH2-OE1 2.76Å; R36-E40 PolarHBondContact NH2-OE1 2.83Å; R36-E40 WeakPolarHBondContact O-CB 3.25Å; R36-E40 WeakPolarHBondContact O-CG 3.15Å; R36-E40 PolarHBondContact O-N 3.06Å; E40-R43 PolarHBondContact O-N 2.97Å; E40-K44 WeakPolarHBondContact O-CB 3.24Å; E40-K44 PolarHBondContact O-N 3.27Å; E40-I67 HydrophobicContact CG-CD1 3.83Å
41Y97.7Very high96.5Very high58 Ų5863.4 Ų63.423%0.22731%0.309CS..Hα-helixtrans-71-40.9177.8-163-126.4000112.6A12 V15 E16 D37 E38 R43 K44 L45A12-Y41 HydrophobicContact CB-CD1 4.15Å; A12-Y41 HydrophobicContact CB-CE1 3.72Å; V15-Y41 HydrophobicContact CB-CD1 3.97Å; V15-Y41 HydrophobicContact CG1-CD1 3.94Å; E16-Y41 HydrophobicContact CG-CE1 3.94Å; E16-Y41 PolarHBondContact OE1-OH 3.32Å; D37-Y41 WeakPolarHBondContact O-CB 3.49Å; D37-Y41 PolarHBondContact O-N 2.88Å; E38-Y41 PolarHBondContact O-N 2.95Å; Y41-R43 VanDerWaalsContact C-N 3.31Å; Y41-R43 PolarHBondContact O-N 2.96Å; Y41-K44 HydrophobicContact CD2-CB 4.49Å; Y41-K44 HydrophobicContact CD2-CD 3.98Å; Y41-K44 HydrophobicContact CE2-CD 4.08Å; Y41-K44 WeakPolarHBondContact O-CB 3.36Å; Y41-K44 PolarHBondContact O-N 3.39Å; Y41-K44 VanDerWaalsContact O-N 3.16Å; Y41-L45 HydrophobicContact CD1-CD1 4.11Å; Y41-L45 HydrophobicContact CD2-CG 4.47Å; Y41-L45 HydrophobicContact CE1-CD1 3.59Å; Y41-L45 HydrophobicContact CE1-CG 4.25Å; Y41-L45 HydrophobicContact CE2-CD1 4.3Å; Y41-L45 HydrophobicContact CE2-CD2 4.19Å; Y41-L45 HydrophobicContact CE2-CG 4.13Å; Y41-L45 PolarHBondContact O-N 2.88Å
42T98.1Very high96.6Very high2 Ų258.9 Ų58.91%0.01229%0.285CS..Hα-helixtrans-53.9-48.8171.2-610000110.7V21 E38 A39 L45 N46 K47 A49V21-T42 HydrophobicContact CB-CG2 3.72Å; V21-T42 HydrophobicContact CG1-CG2 4.04Å; V21-T42 HydrophobicContact CG2-CG2 3.73Å; E38-T42 WeakPolarHBondContact O-CB 3.24Å; E38-T42 PolarHBondContact O-N 2.79Å; E38-T42 PolarHBondContact O-OG1 2.99Å; A39-T42 PolarHBondContact O-N 3.14Å; T42-L45 PolarHBondContact O-N 2.55Å; T42-N46 PolarHBondContact O-N 3.2Å; T42-K47 HydrophobicContact CG2-CB 3.87Å; T42-K47 PolarHBondContact O-N 3.43Å; T42-A49 HydrophobicContact CG2-CB 4.13Å
43R96.7Very high96.7Very high114 Ų11458.1 Ų58.143%0.4328%0.275SS..Hα-helixtrans-63.3-44.2175.9-177.6179.4177.6164.15.1112.2A39 E40 Y41 L45 N46 F66A39-R43 WeakPolarHBondContact O-CB 3.49Å; A39-R43 PolarHBondContact O-N 3.45Å; E40-R43 PolarHBondContact O-N 2.97Å; Y41-R43 VanDerWaalsContact C-N 3.31Å; Y41-R43 PolarHBondContact O-N 2.96Å; R43-L45 VanDerWaalsContact C-N 3.29Å; R43-L45 PolarHBondContact O-N 3.48Å; R43-N46 PolarHBondContact O-N 3.44Å; R43-F66 VanDerWaalsContact NH1-CE1 3.33Å; R43-F66 PolarHBondContact NH1-O 3.29Å
44K97Very high96.8Very high154 Ų15454.4 Ų54.467%0.6726%0.264SS*.Hα-helixtrans-58.4-41.1179.4177.6-176.6173.5-173.30112.1E40 Y41 N46E40-K44 WeakPolarHBondContact O-CB 3.24Å; E40-K44 PolarHBondContact O-N 3.27Å; Y41-K44 HydrophobicContact CD2-CB 4.49Å; Y41-K44 HydrophobicContact CD2-CD 3.98Å; Y41-K44 HydrophobicContact CE2-CD 4.08Å; Y41-K44 WeakPolarHBondContact O-CB 3.36Å; Y41-K44 PolarHBondContact O-N 3.39Å; Y41-K44 VanDerWaalsContact O-N 3.16Å; K44-N46 PolarHBondContact O-N 3.01Å
45L97.1Very high97.1Very high63 Ų6354.8 Ų54.833%0.3326%0.263SS..THydrogen-bonded Turntrans-82.23.6179-63.3-171000113.3V15 E16 Y41 T42 R43 K47V15-L45 HydrophobicContact CG1-CD1 4.22Å; E16-L45 HydrophobicContact CG-CD1 3.66Å; Y41-L45 HydrophobicContact CD1-CD1 4.11Å; Y41-L45 HydrophobicContact CD2-CG 4.47Å; Y41-L45 HydrophobicContact CE1-CD1 3.59Å; Y41-L45 HydrophobicContact CE1-CG 4.25Å; Y41-L45 HydrophobicContact CE2-CD1 4.3Å; Y41-L45 HydrophobicContact CE2-CD2 4.19Å; Y41-L45 HydrophobicContact CE2-CG 4.13Å; Y41-L45 PolarHBondContact O-N 2.88Å; T42-L45 PolarHBondContact O-N 2.55Å; R43-L45 VanDerWaalsContact C-N 3.29Å; R43-L45 PolarHBondContact O-N 3.48Å; L45-K47 HydrophobicContact CB-CG 3.82Å; L45-K47 PolarHBondContact O-N 2.99Å; L45-K47 VanDerWaalsContact O-N 3.14Å
46N95.1Very high97.2Very high144 Ų14456.9 Ų56.977%0.7728%0.279SS*.THydrogen-bonded Turntrans48.535.3-171.5-62.8-55000112.3T42 R43 K44T42-N46 PolarHBondContact O-N 3.2Å; R43-N46 PolarHBondContact O-N 3.44Å; K44-N46 PolarHBondContact O-N 3.01Å
47K95.4Very high97.1Very high55 Ų5560.4 Ų60.424%0.23930%0.297CS..  trans-68.7134.5177.7-73.7-72.1-174.5166.30108.7V15 E16 A18 V21 T42 L45 A49V15-K47 HydrophobicContact CG1-CG 4.16Å; V15-K47 WeakPolarHBondContact O-CE 3.39Å; E16-K47 WeakPolarHBondContact O-CE 3.31Å; E16-K47 PolarHBondContact O-NZ 2.96Å; A18-K47 PolarHBondContact O-NZ 3.22Å; V21-K47 HydrophobicContact CG2-CB 4.29Å; T42-K47 HydrophobicContact CG2-CB 3.87Å; T42-K47 PolarHBondContact O-N 3.43Å; L45-K47 HydrophobicContact CB-CG 3.82Å; L45-K47 PolarHBondContact O-N 2.99Å; L45-K47 VanDerWaalsContact O-N 3.14Å; K47-A49 PolarHBondContact O-N 3.25Å
48P95.3Very high97.2Very high33 Ų3359.9 Ų59.921%0.21429%0.293CS..  trans-56.2126.8174.1-17.926.2000109.9A19 I20 V21 V96 L100A19-P48 WeakPolarHBondContact O-CD 3.49Å; A19-P48 WeakPolarHBondContact O-CG 3.41Å; I20-P48 CarbonylContact C-O 3.57Å; I20-P48 WeakPolarHBondContact CA-O 3.26Å; I20-P48 HydrophobicContact CG1-CB 4.29Å; V21-P48 PolarHBondContact N-O 2.97Å; P48-V96 HydrophobicContact CB-CG1 3.54Å; P48-V96 HydrophobicContact CG-CG1 4.24Å; P48-L100 HydrophobicContact CB-CD1 4.22Å; P48-L100 HydrophobicContact CG-CD1 3.38Å; P48-L100 HydrophobicContact CG-CD2 3.95Å; P48-L100 HydrophobicContact CG-CG 4.26Å
49A96.5Very high97.3Very high39 Ų3962.4 Ų62.432%0.32231%0.312SS..EExtended strand (participates in β ladder)trans-122.2135.4-179.200000110.7V21 I23 T42 K47 F51V21-A49 CarbonylContact O-C 3.19Å; V21-A49 VanDerWaalsContact O-CA 3.24Å; V21-A49 WeakPolarHBondContact O-CA 3.35Å; I23-A49 HydrophobicContact CD1-CB 4.16Å; T42-A49 HydrophobicContact CG2-CB 4.13Å; K47-A49 PolarHBondContact O-N 3.25Å; A49-F51 HydrophobicContact CB-CE2 4.5Å; A49-F51 HydrophobicContact CB-CZ 4.39Å
50I97.6Very high97.3Very high10 Ų1063.6 Ų63.65%0.05132%0.32CS..EExtended strand (participates in β ladder)trans-113.6122.2171.4-59.5172000107.6I20 V21 L22 I23 L52 I74 L89 T92 I93 V96I20-I50 HydrophobicContact CG2-CD1 3.89Å; I20-I50 HydrophobicContact CG2-CG1 4.01Å; V21-I50 PolarHBondContact O-N 2.86Å; L22-I50 WeakPolarHBondContact CA-O 3.21Å; L22-I50 HydrophobicContact CD2-CB 3.74Å; L22-I50 HydrophobicContact CD2-CD1 4.01Å; L22-I50 HydrophobicContact CD2-CG1 4.29Å; L22-I50 HydrophobicContact CD2-CG2 4.37Å; I23-I50 PolarHBondContact N-O 3.45Å; I50-L52 HydrophobicContact CG2-CD2 3.85Å; I50-I74 HydrophobicContact CG2-CD1 4.31Å; I50-L89 HydrophobicContact CD1-CD1 4.32Å; I50-L89 HydrophobicContact CG2-CD1 4.05Å; I50-T92 HydrophobicContact CD1-CG2 3.75Å; I50-T92 HydrophobicContact CG1-CG2 4.11Å; I50-T92 HydrophobicContact CG2-CG2 4.31Å; I50-I93 HydrophobicContact CD1-CG1 3.69Å; I50-V96 HydrophobicContact CD1-CG2 4.4Å; I50-V96 HydrophobicContact CG1-CG2 4.49Å
51F98.4Very high97.2Very high10 Ų1063.2 Ų63.24%0.04433%0.325CS..EExtended strand (participates in β ladder)trans-89.2129-179.8-62-79.7000110.8I23 F25 A49 I67 M68 Y73 I74I23-F51 HydrophobicContact CB-CD1 3.74Å; I23-F51 HydrophobicContact CB-CE1 4.02Å; I23-F51 HydrophobicContact CD1-CD1 4.18Å; I23-F51 HydrophobicContact CD1-CE1 3.54Å; I23-F51 HydrophobicContact CD1-CZ 4.2Å; I23-F51 HydrophobicContact CG1-CE1 4.33Å; I23-F51 HydrophobicContact CG2-CD1 3.76Å; I23-F51 HydrophobicContact CG2-CE1 4.02Å; F25-F51 HydrophobicContact CD1-CB 4.03Å; F25-F51 HydrophobicContact CE1-CB 3.89Å; A49-F51 HydrophobicContact CB-CE2 4.5Å; A49-F51 HydrophobicContact CB-CZ 4.39Å; F51-I67 HydrophobicContact CE1-CG2 4.47Å; F51-I67 HydrophobicContact CZ-CG2 4.33Å; F51-M68 HydrophobicContact CB-CE 3.89Å; F51-M68 HydrophobicContact CD1-CE 4.12Å; F51-M68 HydrophobicContact CD1-CG 3.51Å; F51-M68 HydrophobicContact CD1-SD 3.86Å; F51-M68 HydrophobicContact CD2-CG 4.36Å; F51-M68 HydrophobicContact CE1-CB 4.49Å; F51-M68 HydrophobicContact CE1-CG 3.37Å; F51-M68 HydrophobicContact CE1-SD 4.28Å; F51-M68 HydrophobicContact CE2-CG 4.25Å; F51-M68 HydrophobicContact CG-CE 3.94Å; F51-M68 HydrophobicContact CG-CG 4.01Å; F51-M68 HydrophobicContact CG-SD 4.3Å; F51-M68 HydrophobicContact CZ-CB 4.46Å; F51-M68 HydrophobicContact CZ-CG 3.77Å; F51-Y73 CarbonylContact O-C 3.58Å; F51-Y73 WeakPolarHBondContact O-CA 3.31Å; F51-Y73 VanDerWaalsContact O-CB 3.25Å; F51-Y73 WeakPolarHBondContact O-CB 3.37Å; F51-I74 PolarHBondContact O-N 3.27Å
52L98.6Very high97.2Very high8 Ų863.3 Ų63.34%0.04234%0.344CS..EExtended strand (participates in β ladder)trans-120.6116.8179.5-52.1-176.4000109.5L22 I23 L24 F25 I50 V54 I74 F76 L89L22-L52 HydrophobicContact CB-CD1 4.37Å; L22-L52 HydrophobicContact CD1-CD1 4.42Å; I23-L52 PolarHBondContact O-N 2.85Å; L24-L52 CarbonylContact C-O 3.56Å; L24-L52 WeakPolarHBondContact CA-O 3.34Å; L24-L52 HydrophobicContact CD1-CB 4.49Å; L24-L52 HydrophobicContact CD1-CD1 3.81Å; L24-L52 HydrophobicContact CD1-CG 4.45Å; L24-L52 HydrophobicContact CG-CB 4.26Å; L24-L52 HydrophobicContact CG-CD1 4.19Å; F25-L52 VanDerWaalsContact CD1-C 3.45Å; F25-L52 WeakPolarHBondContact CD1-O 3.19Å; F25-L52 PolarHBondContact N-O 3.1Å; I50-L52 HydrophobicContact CG2-CD2 3.85Å; L52-V54 PolarHBondContact O-N 2.89Å; L52-I74 CarbonylContact C-O 3.6Å; L52-I74 WeakPolarHBondContact CA-O 3.42Å; L52-I74 HydrophobicContact CD2-CB 3.84Å; L52-I74 HydrophobicContact CD2-CD1 4.21Å; L52-I74 HydrophobicContact CD2-CG1 4.35Å; L52-F76 HydrophobicContact CB-CD2 4.25Å; L52-F76 HydrophobicContact CD1-CD2 4.33Å; L52-F76 HydrophobicContact CD1-CE2 4.36Å; L52-F76 HydrophobicContact CD2-CD2 4.04Å; L52-F76 HydrophobicContact CD2-CE2 3.99Å; L52-F76 HydrophobicContact CG-CD2 4.45Å; L52-L89 HydrophobicContact CD1-CD2 4.07Å; L52-L89 HydrophobicContact CD2-CD1 4.04Å
53R98.6Very high97.1Very high27 Ų2765.4 Ų65.410%0.10235%0.352CS..EExtended strand (participates in β ladder)trans-75.2116.7173.3-177167.163.5-157.6-4108.5F25 E55 Y73 I74 D75 F76 S77F25-R53 HydrophobicContact CE1-CB 3.94Å; F25-R53 VanDerWaalsContact CE1-N 3.29Å; F25-R53 HydrophobicContact CE2-CB 3.75Å; F25-R53 HydrophobicContact CE2-CG 3.82Å; F25-R53 HydrophobicContact CZ-CB 3.39Å; F25-R53 HydrophobicContact CZ-CG 3.99Å; R53-E55 WeakPolarHBondContact CD-O 3.42Å; R53-E55 WeakPolarHBondContact CG-O 3.45Å; R53-Y73 HydrophobicContact CB-CD2 3.9Å; R53-Y73 HydrophobicContact CB-CE2 4.12Å; R53-Y73 PolarHBondContact NH1-OH 3.37Å; R53-I74 PolarHBondContact N-O 3.5Å; R53-D75 IonicContact CZ-OD1 3.45Å; R53-D75 IonicContact CZ-OD2 2.65Å; R53-D75 IonicContact NE-OD1 3.3Å; R53-D75 PolarHBondContact NE-OD1 3.03Å; R53-D75 IonicContact NE-OD2 3.55Å; R53-D75 IonicContact NH2-OD1 2.85Å; R53-D75 PolarHBondContact NH2-OD1 3.27Å; R53-D75 IonicContact NH2-OD2 3.62Å; R53-D75 PolarHBondContact NH2-OD2 3.22Å; R53-F76 CarbonylContact O-C 3.53Å; R53-F76 VanDerWaalsContact O-CA 3.24Å; R53-F76 WeakPolarHBondContact O-CA 3.43Å; R53-F76 WeakPolarHBondContact O-CB 3.3Å; R53-F76 PolarHBondContact O-N 2.94Å; R53-S77 PolarHBondContact O-N 3.4Å
54V98.4Very high97.2Very high58 Ų5860 Ų6035%0.35233%0.331SS..  trans-110.1-5.5177.7-61.40000113.3L24 F25 L52 F76L24-V54 HydrophobicContact CB-CG1 3.93Å; L24-V54 HydrophobicContact CB-CG2 4.22Å; L24-V54 HydrophobicContact CD2-CG1 4.06Å; L24-V54 HydrophobicContact CG-CG1 3.88Å; F25-V54 WeakPolarHBondContact O-CG2 3.41Å; F25-V54 PolarHBondContact O-N 3.23Å; F25-V54 VanDerWaalsContact O-N 3.13Å; L52-V54 PolarHBondContact O-N 2.89Å; V54-F76 HydrophobicContact CG1-CB 4.16Å
55E98.3Very high97.2Very high76 Ų7653.8 Ų53.836%0.35531%0.311SS..SBendtrans-116.4127.4174.7-173.6-179.6152.100111S26 K27 R53 K57 F58S26-E55 WeakPolarHBondContact CB-OE2 3.45Å; K27-E55 WeakPolarHBondContact CB-OE2 3.41Å; K27-E55 PolarHBondContact N-OE2 3.38Å; R53-E55 WeakPolarHBondContact CD-O 3.42Å; R53-E55 WeakPolarHBondContact CG-O 3.45Å; E55-K57 PolarHBondContact O-N 3.32Å; E55-F58 HydrophobicContact CB-CB 3.89Å; E55-F58 HydrophobicContact CG-CB 4.05Å; E55-F58 WeakPolarHBondContact O-CB 3.45Å; E55-F58 PolarHBondContact O-N 2.85Å
56S97.6Very high97.2Very high69 Ų6958 Ų5848%0.48333%0.327SS..THydrogen-bonded Turntrans-64.9131.5-172-172.80000111.3F58 S77S56-F58 PolarHBondContact O-N 3.24Å; S56-S77 VanDerWaalsContact CA-CB 3.47Å; S56-S77 WeakPolarHBondContact CA-OG 3.37Å
57K96.3Very high97.3Very high180 Ų18052.2 Ų52.278%0.78330%0.296SS*.THydrogen-bonded Turntrans60.66.5-179.7-53.2174.8-178.7175.50115.1E55 V59E55-K57 PolarHBondContact O-N 3.32Å; K57-V59 PolarHBondContact O-N 3.13Å
58F97.9Very high97.3Very high25 Ų2550.2 Ų50.211%0.1129%0.288CS..  trans-66.2132.3174.9178.3-110.3000110.3F25 S26 K27 Q30 E55 S56 P60 L64F25-F58 AromaticContact CD2-CD1 3.74Å; F25-F58 HydrophobicContact CD2-CD1 3.74Å; F25-F58 AromaticContact CD2-CE1 3.95Å; F25-F58 HydrophobicContact CD2-CE1 3.95Å; F25-F58 HydrophobicContact CE2-CD1 4.18Å; S26-F58 VanDerWaalsContact O-CE1 3.3Å; S26-F58 WeakPolarHBondContact O-CE1 3.42Å; S26-F58 WeakPolarHBondContact O-CZ 3.17Å; K27-F58 HydrophobicContact CB-CD2 4.01Å; K27-F58 HydrophobicContact CB-CE2 3.78Å; K27-F58 HydrophobicContact CB-CZ 4.41Å; K27-F58 HydrophobicContact CD-CE2 4.02Å; K27-F58 HydrophobicContact CG-CE2 4.48Å; Q30-F58 HydrophobicContact CB-CZ 4.02Å; Q30-F58 VanDerWaalsContact OE1-CZ 3.29Å; E55-F58 HydrophobicContact CB-CB 3.89Å; E55-F58 HydrophobicContact CG-CB 4.05Å; E55-F58 WeakPolarHBondContact O-CB 3.45Å; E55-F58 PolarHBondContact O-N 2.85Å; S56-F58 PolarHBondContact O-N 3.24Å; F58-P60 HydrophobicContact CD1-CG 4.44Å; F58-P60 HydrophobicContact CE1-CG 4.06Å; F58-L64 HydrophobicContact CE1-CD2 4.2Å
59V96.9Very high97.2Very high110 Ų11051.4 Ų51.467%0.66731%0.306SS*.  trans-118.9112.7177.4-179.20000107.9K57K57-V59 PolarHBondContact O-N 3.13Å
60P97.2Very high96.9Very high25 Ų2559.1 Ų59.116%0.16234%0.335CS..  trans-54.8139.8176.1-29.437.4000112.7F25 F58 L64 M68F25-P60 HydrophobicContact CD2-CG 3.49Å; F25-P60 VanDerWaalsContact CD2-CG 3.49Å; F25-P60 HydrophobicContact CE2-CG 3.51Å; F25-P60 HydrophobicContact CG-CG 4.3Å; F25-P60 HydrophobicContact CZ-CG 4.31Å; F58-P60 HydrophobicContact CD1-CG 4.44Å; F58-P60 HydrophobicContact CE1-CG 4.06Å; P60-L64 HydrophobicContact CB-CB 4.37Å; P60-L64 HydrophobicContact CB-CD2 3.87Å; P60-L64 HydrophobicContact CB-CG 3.89Å; P60-L64 HydrophobicContact CG-CD2 4.14Å; P60-L64 HydrophobicContact CG-CG 4.47Å; P60-M68 HydrophobicContact CB-SD 3.83Å; P60-M68 HydrophobicContact CG-CE 4.07Å; P60-M68 HydrophobicContact CG-SD 3.45Å; P60-M68 WeakPolarHBondContact CG-SD 3.32Å
61S96.6Very high96.7Very high67 Ų6761.4 Ų61.447%0.46935%0.352SS..  trans-141.4174.1176.860.90000111Q30 W63 L64 G65Q30-S61 PolarHBondContact NE2-O 2.99Å; Q30-S61 VanDerWaalsContact NE2-O 3.08Å; Q30-S61 PolarHBondContact NE2-OG 3.5Å; Q30-S61 PolarHBondContact OE1-O 3.4Å; S61-W63 PolarHBondContact O-N 3.44Å; S61-L64 PolarHBondContact O-N 2.89Å; S61-G65 PolarHBondContact O-N 3.01Å
62G97.3Very high96.5Very high60 Ų6072.2 Ų72.262%0.61939%0.392SS*.Hα-helixtrans56.4-130.1179.700000112.2L64 G65 F66G62-L64 VanDerWaalsContact C-N 3.34Å; G62-L64 PolarHBondContact O-N 3.29Å; G62-G65 PolarHBondContact O-N 3.16Å; G62-F66 WeakPolarHBondContact O-CB 3.48Å; G62-F66 PolarHBondContact O-N 2.94Å
63W97.3Very high96.5Very high47 Ų4776.7 Ų76.718%0.17841%0.41CS..Hα-helixtrans-60.2-41.4-176.770.7-99.1000112.7Y29 Q30 R36 A39 S61 F66 I67Y29-W63 HydrophobicContact CD1-CH2 4.02Å; Y29-W63 AromaticContact CE1-CH2 3.83Å; Y29-W63 HydrophobicContact CE1-CH2 3.83Å; Y29-W63 HydrophobicContact CE1-CZ3 4.45Å; Q30-W63 VanDerWaalsContact CA-CZ2 3.49Å; Q30-W63 HydrophobicContact CB-CZ2 4.42Å; Q30-W63 HydrophobicContact CG-CZ2 4.23Å; Q30-W63 VanDerWaalsContact O-CE2 3.3Å; Q30-W63 VanDerWaalsContact O-CZ2 3.24Å; Q30-W63 WeakPolarHBondContact O-CZ2 3.41Å; Q30-W63 PolarHBondContact O-NE1 2.89Å; R36-W63 HydrophobicContact CB-CD2 4.28Å; R36-W63 HydrophobicContact CB-CE3 4.35Å; R36-W63 HydrophobicContact CB-CH2 3.85Å; R36-W63 HydrophobicContact CB-CZ2 3.71Å; R36-W63 HydrophobicContact CB-CZ3 4.18Å; R36-W63 HydrophobicContact CG-CD2 3.86Å; R36-W63 HydrophobicContact CG-CE3 3.93Å; R36-W63 HydrophobicContact CG-CG 4.37Å; R36-W63 HydrophobicContact CG-CH2 4.34Å; R36-W63 HydrophobicContact CG-CZ2 4.23Å; R36-W63 HydrophobicContact CG-CZ3 4.2Å; A39-W63 HydrophobicContact CB-CZ3 3.97Å; S61-W63 PolarHBondContact O-N 3.44Å; W63-F66 PolarHBondContact O-N 3.37Å; W63-I67 HydrophobicContact CE3-CD1 3.76Å; W63-I67 HydrophobicContact CZ3-CD1 3.98Å; W63-I67 WeakPolarHBondContact O-CG1 3.46Å; W63-I67 PolarHBondContact O-N 2.92Å
64L97.8Very high96.5Very high0 Ų075.8 Ų75.80%041%0.406CS..Hα-helixtrans-72.4-42.1-176.7-178.665.4000110.4F25 Y29 Q30 F58 P60 S61 G62 F66 I67 M68F25-L64 HydrophobicContact CB-CD2 3.95Å; Y29-L64 HydrophobicContact CD1-CD1 4.18Å; Y29-L64 HydrophobicContact CD1-CD2 4.34Å; Y29-L64 HydrophobicContact CE1-CD1 4.02Å; Q30-L64 HydrophobicContact CB-CD2 3.96Å; Q30-L64 HydrophobicContact CG-CB 3.99Å; Q30-L64 HydrophobicContact CG-CD2 4.25Å; F58-L64 HydrophobicContact CE1-CD2 4.2Å; P60-L64 HydrophobicContact CB-CB 4.37Å; P60-L64 HydrophobicContact CB-CD2 3.87Å; P60-L64 HydrophobicContact CB-CG 3.89Å; P60-L64 HydrophobicContact CG-CD2 4.14Å; P60-L64 HydrophobicContact CG-CG 4.47Å; S61-L64 PolarHBondContact O-N 2.89Å; G62-L64 VanDerWaalsContact C-N 3.34Å; G62-L64 PolarHBondContact O-N 3.29Å; L64-F66 VanDerWaalsContact C-N 3.26Å; L64-F66 PolarHBondContact O-N 2.9Å; L64-I67 PolarHBondContact O-N 3.34Å; L64-M68 HydrophobicContact CD1-CG 4.45Å; L64-M68 HydrophobicContact CD1-SD 4.32Å; L64-M68 HydrophobicContact CG-SD 4.17Å; L64-M68 WeakPolarHBondContact O-CB 3.37Å; L64-M68 WeakPolarHBondContact O-CG 3.29Å; L64-M68 PolarHBondContact O-N 3.28Å
65G97.5Very high96.5Very high23 Ų2373.6 Ų73.624%0.23739%0.393CS..Hα-helixtrans-58.6-38.1171.200000112.3S61 G62 M68 G69S61-G65 PolarHBondContact O-N 3.01Å; G62-G65 PolarHBondContact O-N 3.16Å; G65-M68 PolarHBondContact O-N 2.87Å; G65-G69 PolarHBondContact O-N 2.84Å
66F97Very high96.5Very high151 Ų15171.9 Ų71.966%0.66238%0.384SS*.Hα-helixtrans-71.7-31.7176.7-173.5-97.9000113.9R43 G62 W63 L64R43-F66 VanDerWaalsContact NH1-CE1 3.33Å; R43-F66 PolarHBondContact NH1-O 3.29Å; G62-F66 WeakPolarHBondContact O-CB 3.48Å; G62-F66 PolarHBondContact O-N 2.94Å; W63-F66 PolarHBondContact O-N 3.37Å; L64-F66 VanDerWaalsContact C-N 3.26Å; L64-F66 PolarHBondContact O-N 2.9Å
67I95.9Very high96.4Very high24 Ų2469.6 Ų69.612%0.12337%0.368CS..Hα-helixtrans-71.9-43.4172.3-70.8178.6000110.8A39 E40 F51 W63 L64A39-I67 HydrophobicContact CB-CD1 3.83Å; E40-I67 HydrophobicContact CG-CD1 3.83Å; F51-I67 HydrophobicContact CE1-CG2 4.47Å; F51-I67 HydrophobicContact CZ-CG2 4.33Å; W63-I67 HydrophobicContact CE3-CD1 3.76Å; W63-I67 HydrophobicContact CZ3-CD1 3.98Å; W63-I67 WeakPolarHBondContact O-CG1 3.46Å; W63-I67 PolarHBondContact O-N 2.92Å; L64-I67 PolarHBondContact O-N 3.34Å
68M96Very high96.5Very high13 Ų1364.2 Ų64.26%0.06436%0.364CS..Hα-helixtrans-69.4-40.8179.8-73.5-177.963.200112.2F25 F51 P60 L64 G65 E70 S71 Y73F25-M68 HydrophobicContact CD1-CE 4.07Å; F25-M68 HydrophobicContact CD1-SD 4.11Å; F25-M68 HydrophobicContact CD2-SD 4.48Å; F25-M68 HydrophobicContact CE1-CE 3.66Å; F25-M68 HydrophobicContact CE1-SD 4.28Å; F25-M68 HydrophobicContact CE2-CE 4.42Å; F25-M68 HydrophobicContact CG-SD 4.19Å; F25-M68 HydrophobicContact CZ-CE 3.83Å; F51-M68 HydrophobicContact CB-CE 3.89Å; F51-M68 HydrophobicContact CD1-CE 4.12Å; F51-M68 HydrophobicContact CD1-CG 3.51Å; F51-M68 HydrophobicContact CD1-SD 3.86Å; F51-M68 HydrophobicContact CD2-CG 4.36Å; F51-M68 HydrophobicContact CE1-CB 4.49Å; F51-M68 HydrophobicContact CE1-CG 3.37Å; F51-M68 HydrophobicContact CE1-SD 4.28Å; F51-M68 HydrophobicContact CE2-CG 4.25Å; F51-M68 HydrophobicContact CG-CE 3.94Å; F51-M68 HydrophobicContact CG-CG 4.01Å; F51-M68 HydrophobicContact CG-SD 4.3Å; F51-M68 HydrophobicContact CZ-CB 4.46Å; F51-M68 HydrophobicContact CZ-CG 3.77Å; P60-M68 HydrophobicContact CB-SD 3.83Å; P60-M68 HydrophobicContact CG-CE 4.07Å; P60-M68 HydrophobicContact CG-SD 3.45Å; P60-M68 WeakPolarHBondContact CG-SD 3.32Å; L64-M68 HydrophobicContact CD1-CG 4.45Å; L64-M68 HydrophobicContact CD1-SD 4.32Å; L64-M68 HydrophobicContact CG-SD 4.17Å; L64-M68 WeakPolarHBondContact O-CB 3.37Å; L64-M68 WeakPolarHBondContact O-CG 3.29Å; L64-M68 PolarHBondContact O-N 3.28Å; G65-M68 PolarHBondContact O-N 2.87Å; M68-E70 PolarHBondContact O-N 2.92Å; M68-S71 WeakPolarHBondContact O-CB 3.28Å; M68-S71 PolarHBondContact O-N 3.47Å; M68-S71 PolarHBondContact O-OG 3.06Å; M68-Y73 HydrophobicContact CE-CD1 4.41Å
69G93.3Very high96.4Very high58 Ų5869.1 Ų69.160%0.59839%0.385SS*.THydrogen-bonded Turntrans54-125.2-176.200000111.3G65 S71G65-G69 PolarHBondContact O-N 2.84Å; G69-S71 VanDerWaalsContact C-N 3.34Å
70E91.4Very high96.4Very high200 Ų20068.2 Ų68.294%0.93537%0.371SS*.THydrogen-bonded Turntrans-92.610.1176.5-60-177.4173.400113.4M68 R72M68-E70 PolarHBondContact O-N 2.92Å; E70-R72 PolarHBondContact O-N 2.94Å
71S92.1Very high96.4Very high58 Ų5870.7 Ų70.741%0.40639%0.387SS..  trans-59.2136.6-178.3-58.40000111.2M68 G69M68-S71 WeakPolarHBondContact O-CB 3.28Å; M68-S71 PolarHBondContact O-N 3.47Å; M68-S71 PolarHBondContact O-OG 3.06Å; G69-S71 VanDerWaalsContact C-N 3.34Å
72R94.7Very high96.5Very high237 Ų23773.2 Ų73.289%0.89439%0.389SS*.  trans-69.8154.9171.4-63.8-177.2-174.3163.82.5110.1E70E70-R72 PolarHBondContact O-N 2.94Å
73Y97.8Very high96.5Very high103 Ų10376.5 Ų76.540%0.40439%0.389SS..EExtended strand (participates in β ladder)trans-134.9155.8173.963.5-92.4000111.1F25 F51 R53 M68F25-Y73 HydrophobicContact CE1-CD2 4.38Å; F25-Y73 HydrophobicContact CE1-CG 4.04Å; F25-Y73 HydrophobicContact CZ-CD1 4.23Å; F25-Y73 AromaticContact CZ-CD2 3.96Å; F25-Y73 HydrophobicContact CZ-CD2 3.96Å; F25-Y73 AromaticContact CZ-CG 3.81Å; F25-Y73 HydrophobicContact CZ-CG 3.81Å; F51-Y73 CarbonylContact O-C 3.58Å; F51-Y73 WeakPolarHBondContact O-CA 3.31Å; F51-Y73 VanDerWaalsContact O-CB 3.25Å; F51-Y73 WeakPolarHBondContact O-CB 3.37Å; R53-Y73 HydrophobicContact CB-CD2 3.9Å; R53-Y73 HydrophobicContact CB-CE2 4.12Å; R53-Y73 PolarHBondContact NH1-OH 3.37Å; M68-Y73 HydrophobicContact CE-CD1 4.41Å
74I98.3Very high96.5Very high7 Ų778.8 Ų78.84%0.03640%0.401CS..EExtended strand (participates in β ladder)trans-100.5137172.4-53.8170.6000108.3I50 F51 L52 R53 F76 K85 E88 L89I50-I74 HydrophobicContact CG2-CD1 4.31Å; F51-I74 PolarHBondContact O-N 3.27Å; L52-I74 CarbonylContact C-O 3.6Å; L52-I74 WeakPolarHBondContact CA-O 3.42Å; L52-I74 HydrophobicContact CD2-CB 3.84Å; L52-I74 HydrophobicContact CD2-CD1 4.21Å; L52-I74 HydrophobicContact CD2-CG1 4.35Å; R53-I74 PolarHBondContact N-O 3.5Å; I74-F76 HydrophobicContact CB-CD2 4.41Å; I74-F76 HydrophobicContact CB-CE2 4.27Å; I74-F76 HydrophobicContact CG2-CD2 3.96Å; I74-F76 HydrophobicContact CG2-CE2 3.66Å; I74-F76 PolarHBondContact O-N 2.95Å; I74-K85 HydrophobicContact CG2-CB 4.17Å; I74-K85 HydrophobicContact CG2-CD 4.2Å; I74-E88 HydrophobicContact CD1-CG 4.21Å; I74-E88 HydrophobicContact CG1-CG 4.34Å; I74-E88 HydrophobicContact CG2-CB 4.46Å; I74-E88 HydrophobicContact CG2-CG 4.33Å; I74-L89 HydrophobicContact CD1-CB 4.05Å; I74-L89 HydrophobicContact CD1-CD1 4.19Å
75D98.3Very high96.6Very high12 Ų1279.8 Ų79.86%0.06441%0.406CS..EExtended strand (participates in β ladder)trans-95.496.2-172.8-171.619.8000113.1R53 S77 K79 Y80R53-D75 IonicContact CZ-OD1 3.45Å; R53-D75 IonicContact CZ-OD2 2.65Å; R53-D75 IonicContact NE-OD1 3.3Å; R53-D75 PolarHBondContact NE-OD1 3.03Å; R53-D75 IonicContact NE-OD2 3.55Å; R53-D75 IonicContact NH2-OD1 2.85Å; R53-D75 PolarHBondContact NH2-OD1 3.27Å; R53-D75 IonicContact NH2-OD2 3.62Å; R53-D75 PolarHBondContact NH2-OD2 3.22Å; D75-S77 WeakPolarHBondContact OD1-CB 3.43Å; D75-S77 PolarHBondContact OD1-N 3.42Å; D75-S77 PolarHBondContact OD1-OG 3.39Å; D75-S77 VanDerWaalsContact OD1-OG 3.1Å; D75-K79 WeakPolarHBondContact OD2-CD 3.46Å; D75-Y80 HydrophobicContact CB-CD2 4.14Å; D75-Y80 HydrophobicContact CB-CE2 4.01Å
76F98.4Very high96.6Very high41 Ų4183.4 Ų83.418%0.1842%0.415CS..  trans-9316.1174.3-84-90.6000113.2L52 R53 V54 I74 G78 F82 K85 L89L52-F76 HydrophobicContact CB-CD2 4.25Å; L52-F76 HydrophobicContact CD1-CD2 4.33Å; L52-F76 HydrophobicContact CD1-CE2 4.36Å; L52-F76 HydrophobicContact CD2-CD2 4.04Å; L52-F76 HydrophobicContact CD2-CE2 3.99Å; L52-F76 HydrophobicContact CG-CD2 4.45Å; R53-F76 CarbonylContact O-C 3.53Å; R53-F76 VanDerWaalsContact O-CA 3.24Å; R53-F76 WeakPolarHBondContact O-CA 3.43Å; R53-F76 WeakPolarHBondContact O-CB 3.3Å; R53-F76 PolarHBondContact O-N 2.94Å; V54-F76 HydrophobicContact CG1-CB 4.16Å; I74-F76 HydrophobicContact CB-CD2 4.41Å; I74-F76 HydrophobicContact CB-CE2 4.27Å; I74-F76 HydrophobicContact CG2-CD2 3.96Å; I74-F76 HydrophobicContact CG2-CE2 3.66Å; I74-F76 PolarHBondContact O-N 2.95Å; F76-G78 PolarHBondContact O-N 3.27Å; F76-F82 AromaticContact CD1-CD2 3.88Å; F76-F82 HydrophobicContact CD1-CD2 3.88Å; F76-F82 AromaticContact CD1-CE2 3.86Å; F76-F82 HydrophobicContact CD1-CE2 3.86Å; F76-F82 AromaticContact CE1-CD2 3.81Å; F76-F82 HydrophobicContact CE1-CD2 3.81Å; F76-F82 AromaticContact CE1-CE2 3.59Å; F76-F82 HydrophobicContact CE1-CE2 3.59Å; F76-F82 HydrophobicContact CE1-CZ 4.33Å; F76-K85 HydrophobicContact CD1-CB 4.41Å; F76-K85 HydrophobicContact CD2-CB 4.43Å; F76-K85 HydrophobicContact CE1-CB 4.06Å; F76-K85 HydrophobicContact CE2-CB 4.09Å; F76-K85 VanDerWaalsContact CZ-C 3.43Å; F76-K85 HydrophobicContact CZ-CB 3.91Å; F76-K85 VanDerWaalsContact CZ-O 3.26Å; F76-K85 WeakPolarHBondContact CZ-O 3.24Å; F76-L89 HydrophobicContact CE2-CB 4.16Å; F76-L89 HydrophobicContact CE2-CD2 4.16Å; F76-L89 HydrophobicContact CZ-CB 4.1Å; F76-L89 HydrophobicContact CZ-CD2 4Å
77S97.4Very high96.7Very high20 Ų2082.8 Ų82.814%0.1441%0.414CS..SBendtrans-7611.8-17488.60000115.3R53 S56 D75 K79R53-S77 PolarHBondContact O-N 3.4Å; S56-S77 VanDerWaalsContact CA-CB 3.47Å; S56-S77 WeakPolarHBondContact CA-OG 3.37Å; D75-S77 WeakPolarHBondContact OD1-CB 3.43Å; D75-S77 PolarHBondContact OD1-N 3.42Å; D75-S77 PolarHBondContact OD1-OG 3.39Å; D75-S77 VanDerWaalsContact OD1-OG 3.1Å; S77-K79 VanDerWaalsContact C-N 3.29Å; S77-K79 PolarHBondContact O-N 3.39Å
78G96.4Very high96.8Very high68 Ų6885.2 Ų85.270%0.70143%0.425SS*.SBendtrans76.19.5-170.700000114.8F76 Y80F76-G78 PolarHBondContact O-N 3.27Å; G78-Y80 VanDerWaalsContact C-N 3.3Å
79K96.7Very high96.9Very high128 Ų12885.2 Ų85.256%0.55743%0.425SS*.SBendtrans-68.1-32.3173.9-177.3179.5177.1-162.50112.1D75 S77D75-K79 WeakPolarHBondContact OD2-CD 3.46Å; S77-K79 VanDerWaalsContact C-N 3.29Å; S77-K79 PolarHBondContact O-N 3.39Å
80Y97.1Very high97.1Very high91 Ų9185 Ų8536%0.35741%0.414SS..SBendtrans-124.9160.6-178.4-52.7-74.2000109.7D75 G78 K85D75-Y80 HydrophobicContact CB-CD2 4.14Å; D75-Y80 HydrophobicContact CB-CE2 4.01Å; G78-Y80 VanDerWaalsContact C-N 3.3Å; Y80-K85 HydrophobicContact CD2-CD 4.37Å; Y80-K85 HydrophobicContact CD2-CG 4.47Å; Y80-K85 VanDerWaalsContact CG-CE 3.47Å
81P97.6Very high97.4Very high77 Ų7779.3 Ų79.350%0.539%0.393SS..  trans-53.9139172.7-24.735.4000111.6E83 E84 K85P81-E83 VanDerWaalsContact C-N 3.33Å; P81-E83 PolarHBondContact O-N 3.33Å; P81-E84 HydrophobicContact CB-CB 4.46Å; P81-E84 PolarHBondContact O-N 3.33Å; P81-K85 PolarHBondContact O-N 2.77Å
82F97.7Very high97.6Very high119 Ų11978.5 Ų78.552%0.52239%0.386SS..Hα-helixtrans-62.1-43.7-176.3173.4-93.5000111.4F76 E84 K85 F86F76-F82 AromaticContact CD1-CD2 3.88Å; F76-F82 HydrophobicContact CD1-CD2 3.88Å; F76-F82 AromaticContact CD1-CE2 3.86Å; F76-F82 HydrophobicContact CD1-CE2 3.86Å; F76-F82 AromaticContact CE1-CD2 3.81Å; F76-F82 HydrophobicContact CE1-CD2 3.81Å; F76-F82 AromaticContact CE1-CE2 3.59Å; F76-F82 HydrophobicContact CE1-CE2 3.59Å; F76-F82 HydrophobicContact CE1-CZ 4.33Å; F82-E84 VanDerWaalsContact C-N 3.33Å; F82-E84 PolarHBondContact O-N 3.48Å; F82-K85 PolarHBondContact O-N 2.76Å; F82-K85 VanDerWaalsContact O-N 3.16Å; F82-F86 HydrophobicContact CD1-CB 4.41Å; F82-F86 HydrophobicContact CE1-CB 4.04Å; F82-F86 HydrophobicContact CE1-CD2 4.03Å; F82-F86 HydrophobicContact CE1-CG 4.14Å; F82-F86 HydrophobicContact CZ-CB 4.35Å; F82-F86 AromaticContact CZ-CD2 3.78Å; F82-F86 HydrophobicContact CZ-CD2 3.78Å; F82-F86 HydrophobicContact CZ-CG 4.32Å; F82-F86 WeakPolarHBondContact O-CB 3.34Å; F82-F86 PolarHBondContact O-N 3.43Å
83E98.2Very high97.8Very high129 Ų12970.1 Ų70.160%0.60336%0.358SS*.Hα-helixtrans-60-42.4-176.1-65.370.7-156.200111.4P81 K85 F86 E87P81-E83 VanDerWaalsContact C-N 3.33Å; P81-E83 PolarHBondContact O-N 3.33Å; E83-K85 PolarHBondContact O-N 2.95Å; E83-F86 PolarHBondContact O-N 3.14Å; E83-E87 PolarHBondContact O-N 3.4Å
84E97.8Very high97.7Very high95 Ų9569.2 Ų69.244%0.44436%0.363SS..Hα-helixtrans-60.7-46.1176.5-173.9-162124.900111.4P81 F82 F86 E87 E88P81-E84 HydrophobicContact CB-CB 4.46Å; P81-E84 PolarHBondContact O-N 3.33Å; F82-E84 VanDerWaalsContact C-N 3.33Å; F82-E84 PolarHBondContact O-N 3.48Å; E84-F86 VanDerWaalsContact C-N 3.34Å; E84-E87 PolarHBondContact O-N 2.98Å; E84-E88 PolarHBondContact O-N 2.93Å; E84-E88 VanDerWaalsContact O-N 3.14Å
85K98.2Very high97.5Very high21 Ų2173.1 Ų73.19%0.09138%0.384CS..Hα-helixtrans-74.8-26.7-179.2-61.3-50.2-177.5-156.30112.9I74 F76 Y80 P81 F82 E83 E88 L89I74-K85 HydrophobicContact CG2-CB 4.17Å; I74-K85 HydrophobicContact CG2-CD 4.2Å; F76-K85 HydrophobicContact CD1-CB 4.41Å; F76-K85 HydrophobicContact CD2-CB 4.43Å; F76-K85 HydrophobicContact CE1-CB 4.06Å; F76-K85 HydrophobicContact CE2-CB 4.09Å; F76-K85 VanDerWaalsContact CZ-C 3.43Å; F76-K85 HydrophobicContact CZ-CB 3.91Å; F76-K85 VanDerWaalsContact CZ-O 3.26Å; F76-K85 WeakPolarHBondContact CZ-O 3.24Å; Y80-K85 HydrophobicContact CD2-CD 4.37Å; Y80-K85 HydrophobicContact CD2-CG 4.47Å; Y80-K85 VanDerWaalsContact CG-CE 3.47Å; P81-K85 PolarHBondContact O-N 2.77Å; F82-K85 PolarHBondContact O-N 2.76Å; F82-K85 VanDerWaalsContact O-N 3.16Å; E83-K85 PolarHBondContact O-N 2.95Å; K85-E88 VanDerWaalsContact CD-OE2 3.26Å; K85-E88 WeakPolarHBondContact CD-OE2 3.43Å; K85-E88 IonicContact NZ-OE2 3.52Å; K85-E88 PolarHBondContact NZ-OE2 3.35Å; K85-E88 PolarHBondContact O-N 3.4Å; K85-L89 WeakPolarHBondContact O-CB 3.48Å; K85-L89 PolarHBondContact O-N 2.88Å
86F98.3Very high97.3Very high100 Ų10074.3 Ų74.344%0.43939%0.391SS..Hα-helixtrans-67-42.9171.5-168.8-98000111.8F82 E83 E84 E88 L89 C90F82-F86 HydrophobicContact CD1-CB 4.41Å; F82-F86 HydrophobicContact CE1-CB 4.04Å; F82-F86 HydrophobicContact CE1-CD2 4.03Å; F82-F86 HydrophobicContact CE1-CG 4.14Å; F82-F86 HydrophobicContact CZ-CB 4.35Å; F82-F86 AromaticContact CZ-CD2 3.78Å; F82-F86 HydrophobicContact CZ-CD2 3.78Å; F82-F86 HydrophobicContact CZ-CG 4.32Å; F82-F86 WeakPolarHBondContact O-CB 3.34Å; F82-F86 PolarHBondContact O-N 3.43Å; E83-F86 PolarHBondContact O-N 3.14Å; E84-F86 VanDerWaalsContact C-N 3.34Å; F86-E88 PolarHBondContact O-N 2.61Å; F86-L89 WeakPolarHBondContact O-CB 3.38Å; F86-L89 PolarHBondContact O-N 3.3Å; F86-C90 PolarHBondContact O-N 2.9Å; F86-C90 PolarHBondContact O-SG 2.86Å; F86-C90 VanDerWaalsContact O-SG 3.39Å
87E98.3Very high96.8Very high137 Ų13773.4 Ų73.464%0.6439%0.394SS*.Hα-helixtrans-62.9-40.8173.4-71.7-178.7177.700112.5E83 E84 L89 C90 T91E83-E87 PolarHBondContact O-N 3.4Å; E84-E87 PolarHBondContact O-N 2.98Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.46Å; E87-C90 PolarHBondContact O-N 3.15Å; E87-T91 WeakPolarHBondContact O-CB 3.11Å; E87-T91 PolarHBondContact O-N 2.96Å; E87-T91 PolarHBondContact O-OG1 3.36Å
88E98.3Very high96.3Very high75 Ų7577.5 Ų77.535%0.3541%0.414SS..Hα-helixtrans-59.4-42.3173.4-170.9-179.9158.300111.3I74 E84 K85 F86 T92I74-E88 HydrophobicContact CD1-CG 4.21Å; I74-E88 HydrophobicContact CG1-CG 4.34Å; I74-E88 HydrophobicContact CG2-CB 4.46Å; I74-E88 HydrophobicContact CG2-CG 4.33Å; E84-E88 PolarHBondContact O-N 2.93Å; E84-E88 VanDerWaalsContact O-N 3.14Å; K85-E88 VanDerWaalsContact CD-OE2 3.26Å; K85-E88 WeakPolarHBondContact CD-OE2 3.43Å; K85-E88 IonicContact NZ-OE2 3.52Å; K85-E88 PolarHBondContact NZ-OE2 3.35Å; K85-E88 PolarHBondContact O-N 3.4Å; F86-E88 PolarHBondContact O-N 2.61Å; E88-T92 WeakPolarHBondContact O-CB 3.41Å; E88-T92 PolarHBondContact O-N 3.26Å; E88-T92 PolarHBondContact O-OG1 3.27Å
89L98.4Very high95.5Very high13 Ų1380.2 Ų80.27%0.06842%0.417CS..Hα-helixtrans-64.2-48.4175.6174.557.7000112L22 I50 L52 I74 F76 K85 F86 E87 T91 T92 I93L22-L89 HydrophobicContact CD1-CD2 4.37Å; L22-L89 HydrophobicContact CD2-CD1 4.09Å; I50-L89 HydrophobicContact CD1-CD1 4.32Å; I50-L89 HydrophobicContact CG2-CD1 4.05Å; L52-L89 HydrophobicContact CD1-CD2 4.07Å; L52-L89 HydrophobicContact CD2-CD1 4.04Å; I74-L89 HydrophobicContact CD1-CB 4.05Å; I74-L89 HydrophobicContact CD1-CD1 4.19Å; F76-L89 HydrophobicContact CE2-CB 4.16Å; F76-L89 HydrophobicContact CE2-CD2 4.16Å; F76-L89 HydrophobicContact CZ-CB 4.1Å; F76-L89 HydrophobicContact CZ-CD2 4Å; K85-L89 WeakPolarHBondContact O-CB 3.48Å; K85-L89 PolarHBondContact O-N 2.88Å; F86-L89 WeakPolarHBondContact O-CB 3.38Å; F86-L89 PolarHBondContact O-N 3.3Å; E87-L89 VanDerWaalsContact C-N 3.32Å; E87-L89 PolarHBondContact O-N 3.46Å; L89-T91 VanDerWaalsContact C-N 3.31Å; L89-T91 PolarHBondContact O-N 3.27Å; L89-T92 WeakPolarHBondContact O-CB 2.9Å; L89-T92 PolarHBondContact O-N 3.25Å; L89-T92 VanDerWaalsContact O-N 3.14Å; L89-I93 HydrophobicContact CD1-CD1 3.85Å; L89-I93 HydrophobicContact CD1-CG1 4.05Å; L89-I93 HydrophobicContact CG-CD1 3.91Å; L89-I93 WeakPolarHBondContact O-CG1 3.33Å; L89-I93 PolarHBondContact O-N 3.28Å
90C98.1Very high94.5Very high53 Ų5378.9 Ų78.936%0.35842%0.415SS..Hα-helixtrans-57.6-45.2177.4-71.20000111.6F86 E87 T92 I93 V94F86-C90 PolarHBondContact O-N 2.9Å; F86-C90 PolarHBondContact O-SG 2.86Å; F86-C90 VanDerWaalsContact O-SG 3.39Å; E87-C90 PolarHBondContact O-N 3.15Å; C90-T92 VanDerWaalsContact C-N 3.32Å; C90-T92 PolarHBondContact O-N 3.04Å; C90-I93 PolarHBondContact O-N 3.24Å; C90-V94 WeakPolarHBondContact O-CG2 3.41Å; C90-V94 PolarHBondContact O-N 3.49Å
91T97.6Very high92.8Very high82 Ų8284.3 Ų84.350%0.50345%0.449SS..Hα-helixtrans-60.9-42.7176.5-57.40000111.3E87 L89 V94 N95E87-T91 WeakPolarHBondContact O-CB 3.11Å; E87-T91 PolarHBondContact O-N 2.96Å; E87-T91 PolarHBondContact O-OG1 3.36Å; L89-T91 VanDerWaalsContact C-N 3.31Å; L89-T91 PolarHBondContact O-N 3.27Å; T91-V94 PolarHBondContact O-N 2.97Å; T91-N95 WeakPolarHBondContact O-CB 3.47Å; T91-N95 VanDerWaalsContact O-CG 3.23Å; T91-N95 PolarHBondContact O-N 3.38Å; T91-N95 PolarHBondContact O-ND2 2.69Å
92T97.1Very high92.5Very high41 Ų4184.7 Ų84.725%0.25245%0.447SS..Hα-helixtrans-64.3-42.1177.8-57.10000111.7I50 E88 L89 C90 N95 V96I50-T92 HydrophobicContact CD1-CG2 3.75Å; I50-T92 HydrophobicContact CG1-CG2 4.11Å; I50-T92 HydrophobicContact CG2-CG2 4.31Å; E88-T92 WeakPolarHBondContact O-CB 3.41Å; E88-T92 PolarHBondContact O-N 3.26Å; E88-T92 PolarHBondContact O-OG1 3.27Å; L89-T92 WeakPolarHBondContact O-CB 2.9Å; L89-T92 PolarHBondContact O-N 3.25Å; L89-T92 VanDerWaalsContact O-N 3.14Å; C90-T92 VanDerWaalsContact C-N 3.32Å; C90-T92 PolarHBondContact O-N 3.04Å; T92-N95 PolarHBondContact O-N 3.08Å; T92-V96 HydrophobicContact CG2-CG2 4.48Å; T92-V96 WeakPolarHBondContact O-CG2 3.38Å; T92-V96 PolarHBondContact O-N 3.46Å
93I97.2Very high92.3Very high61 Ų6182.8 Ų82.831%0.31344%0.443SS..Hα-helixtrans-60.1-46.7176.1-73.9168.4000111.1I20 I50 L89 C90 N95 V96 G97I20-I93 HydrophobicContact CD1-CB 4.48Å; I20-I93 HydrophobicContact CD1-CG2 4.06Å; I50-I93 HydrophobicContact CD1-CG1 3.69Å; L89-I93 HydrophobicContact CD1-CD1 3.85Å; L89-I93 HydrophobicContact CD1-CG1 4.05Å; L89-I93 HydrophobicContact CG-CD1 3.91Å; L89-I93 WeakPolarHBondContact O-CG1 3.33Å; L89-I93 PolarHBondContact O-N 3.28Å; C90-I93 PolarHBondContact O-N 3.24Å; I93-N95 PolarHBondContact O-N 3.32Å; I93-V96 PolarHBondContact O-N 2.96Å; I93-G97 PolarHBondContact O-N 3.49Å
94V96.2Very high91.9Very high83 Ų8380.3 Ų80.350%0.50343%0.434SS..Hα-helixtrans-61.7-44.7177.8170.90000110.9C90 T91 V96 G97 N98C90-V94 WeakPolarHBondContact O-CG2 3.41Å; C90-V94 PolarHBondContact O-N 3.49Å; T91-V94 PolarHBondContact O-N 2.97Å; V94-V96 PolarHBondContact O-N 3.11Å; V94-G97 PolarHBondContact O-N 3.17Å; V94-N98 WeakPolarHBondContact O-CB 3.49Å; V94-N98 PolarHBondContact O-N 2.83Å; V94-N98 PolarHBondContact O-ND2 3.39Å
95N95.1Very high91.6Very high90 Ų9079.4 Ų79.448%0.48143%0.434SS..Hα-helixtrans-63.1-42.8179.1-71.5-23.9000112.4T91 T92 I93 N98 V99T91-N95 WeakPolarHBondContact O-CB 3.47Å; T91-N95 VanDerWaalsContact O-CG 3.23Å; T91-N95 PolarHBondContact O-N 3.38Å; T91-N95 PolarHBondContact O-ND2 2.69Å; T92-N95 PolarHBondContact O-N 3.08Å; I93-N95 PolarHBondContact O-N 3.32Å; N95-N98 PolarHBondContact O-N 3.39Å; N95-V99 WeakPolarHBondContact O-CG2 3.43Å; N95-V99 PolarHBondContact O-N 2.68Å
96V92.6Very high91.2Very high36 Ų3683.1 Ų83.122%0.21846%0.455CS..Hα-helixtrans-63.1-44.7174.9170.90000110.5I20 P48 I50 T92 I93 V94 N98 V99 L100I20-V96 HydrophobicContact CD1-CB 3.92Å; I20-V96 HydrophobicContact CD1-CG1 3.63Å; I20-V96 HydrophobicContact CG1-CG1 3.86Å; P48-V96 HydrophobicContact CB-CG1 3.54Å; P48-V96 HydrophobicContact CG-CG1 4.24Å; I50-V96 HydrophobicContact CD1-CG2 4.4Å; I50-V96 HydrophobicContact CG1-CG2 4.49Å; T92-V96 HydrophobicContact CG2-CG2 4.48Å; T92-V96 WeakPolarHBondContact O-CG2 3.38Å; T92-V96 PolarHBondContact O-N 3.46Å; I93-V96 PolarHBondContact O-N 2.96Å; V94-V96 PolarHBondContact O-N 3.11Å; V96-N98 PolarHBondContact O-N 3.24Å; V96-V99 PolarHBondContact O-N 2.93Å; V96-L100 HydrophobicContact CG1-CD1 3.91Å; V96-L100 WeakPolarHBondContact O-CD1 3.02Å; V96-L100 VanDerWaalsContact O-CG 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.36Å; V96-L100 PolarHBondContact O-N 3.34Å
97G88.1Confident90.7Very high23 Ų2381.9 Ų81.924%0.23746%0.456CS..Hα-helixtrans-59.2-42.917700000113.2I93 V94 V99 L100 L101I93-G97 PolarHBondContact O-N 3.49Å; V94-G97 PolarHBondContact O-N 3.17Å; G97-V99 VanDerWaalsContact C-N 3.27Å; G97-V99 PolarHBondContact O-N 2.71Å; G97-L100 PolarHBondContact O-N 3.44Å; G97-L100 VanDerWaalsContact O-N 3.13Å; G97-L101 PolarHBondContact O-N 3.05Å
98N87Confident90.1Very high105 Ų10578 Ų7856%0.56144%0.443SS*.Hα-helixtrans-69.1-20.5179.4-69.2-19.1000114V94 N95 V96 L100V94-N98 WeakPolarHBondContact O-CB 3.49Å; V94-N98 PolarHBondContact O-N 2.83Å; V94-N98 PolarHBondContact O-ND2 3.39Å; N95-N98 PolarHBondContact O-N 3.39Å; V96-N98 PolarHBondContact O-N 3.24Å; N98-L100 VanDerWaalsContact C-N 3.35Å
99V80.9Confident89.5Confident125 Ų12578.2 Ų78.276%0.75845%0.45SS*.Hα-helixtrans-82.9-17.8174.7172.60000111.5N95 V96 G97N95-V99 WeakPolarHBondContact O-CG2 3.43Å; N95-V99 PolarHBondContact O-N 2.68Å; V96-V99 PolarHBondContact O-N 2.93Å; G97-V99 VanDerWaalsContact C-N 3.27Å; G97-V99 PolarHBondContact O-N 2.71Å
100L74.1Confident88.8Confident100 Ų10083.7 Ų83.752%0.52448%0.482SS..Hα-helixtrans-96.9-13.5-176.7-63164.4000113.8P48 V96 G97 N98P48-L100 HydrophobicContact CB-CD1 4.22Å; P48-L100 HydrophobicContact CG-CD1 3.38Å; P48-L100 HydrophobicContact CG-CD2 3.95Å; P48-L100 HydrophobicContact CG-CG 4.26Å; V96-L100 HydrophobicContact CG1-CD1 3.91Å; V96-L100 WeakPolarHBondContact O-CD1 3.02Å; V96-L100 VanDerWaalsContact O-CG 3.29Å; V96-L100 WeakPolarHBondContact O-CG 3.36Å; V96-L100 PolarHBondContact O-N 3.34Å; G97-L100 PolarHBondContact O-N 3.44Å; G97-L100 VanDerWaalsContact O-N 3.13Å; N98-L100 VanDerWaalsContact C-N 3.35Å
101L61.5Low87.9Confident205 Ų20586.5 Ų86.5100%1.07349%0.493SS*.  trans-105.60176.8-63.6177.7000110.5G97G97-L101 PolarHBondContact O-N 3.05Å

Retrieved 101 of 101 residues in 106.1 ms (Link to these results)

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