A0A3Q0KHC1_SCHMA Loading...

Putative cation efflux protein/ zinc transporter

AlphaFold DB , UniProt , Accession A0A3Q0KHC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 473 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
1M35.9Very low53.4Low204 Ų20487.2 Ų87.2100%1.00554%0.539SS*.  0104.10-70.1177.6178.800108.4V3M1-V3 PolarHBondContact O-N 3.35Å
2G32.4Very low55.7Low74 Ų7488 Ų8876%0.76354%0.536SS*.  trans-72.6120.5169.600000108.6S4G2-S4 PolarHBondContact O-N 3.3Å
3V38.9Very low57.7Low95 Ų9590.2 Ų90.258%0.57653%0.534SS*.  trans-75.9115.4173.7-165.40000106.6M1 C5 N7 T8M1-V3 PolarHBondContact O-N 3.35Å; V3-C5 PolarHBondContact O-N 2.98Å; V3-N7 HydrophobicContact CG1-CB 4.22Å; V3-T8 WeakPolarHBondContact CG1-OG1 3.3Å
4S37.2Very low59.2Low81 Ų8185.1 Ų85.157%0.56650%0.502SS*.  trans-52.9129.3172.3-179.60000108.6G2 G6 N7G2-S4 PolarHBondContact O-N 3.3Å; S4-G6 PolarHBondContact O-N 2.87Å; S4-N7 PolarHBondContact O-N 3.06Å
5C42Very low60.6Low103 Ų10382.4 Ų82.470%0.69649%0.485SS*.Hα-helixtrans-55.4-32.5-166.7-166.30000112.8V3 N7 T9V3-C5 PolarHBondContact O-N 2.98Å; C5-N7 PolarHBondContact O-N 3.1Å; C5-T9 PolarHBondContact O-N 2.84Å; C5-T9 PolarHBondContact O-OG1 2.72Å
6G51.1Low62.2Low40 Ų4081.7 Ų81.741%0.41248%0.481SS..Hα-helixtrans-65.8-29.9174.800000115S4 R10S4-G6 PolarHBondContact O-N 2.87Å; G6-R10 WeakPolarHBondContact O-CD 3.48Å; G6-R10 VanDerWaalsContact O-CG 3.27Å; G6-R10 WeakPolarHBondContact O-CG 3.31Å; G6-R10 PolarHBondContact O-N 3.1Å
7N63.5Low63.6Low60 Ų6079.4 Ų79.432%0.32147%0.466SS..Hα-helixtrans-78.2-38.1-177.9-71.6-0.3000112V3 S4 C5 R10 L11 H136V3-N7 HydrophobicContact CG1-CB 4.22Å; S4-N7 PolarHBondContact O-N 3.06Å; C5-N7 PolarHBondContact O-N 3.1Å; N7-R10 PolarHBondContact O-N 3.37Å; N7-L11 WeakPolarHBondContact O-CB 3.45Å; N7-L11 WeakPolarHBondContact O-CG 3.3Å; N7-L11 PolarHBondContact O-N 2.7Å; N7-H136 PolarHBondContact OD1-CE1 3.15Å
8T68Low64.8Low56 Ų5676 Ų7634%0.34445%0.446SS..Hα-helixtrans-61.4-46.5175-420000110.8V3 R10 L11 I12V3-T8 WeakPolarHBondContact CG1-OG1 3.3Å; T8-R10 PolarHBondContact O-N 3.19Å; T8-L11 PolarHBondContact O-N 3.1Å; T8-I12 HydrophobicContact CG2-CD1 3.91Å; T8-I12 HydrophobicContact CG2-CG1 4.49Å; T8-I12 WeakPolarHBondContact O-CG1 3Å; T8-I12 PolarHBondContact O-N 3.03Å
9T74Confident66Low89 Ų8975.5 Ų75.555%0.54644%0.441SS..Hα-helixtrans-64.5-40.1-179.3-52.60000112C5 I12 F13C5-T9 PolarHBondContact O-N 2.84Å; C5-T9 PolarHBondContact O-OG1 2.72Å; T9-I12 PolarHBondContact O-N 3.22Å; T9-F13 VanDerWaalsContact O-CB 3.3Å; T9-F13 WeakPolarHBondContact O-CB 3.27Å; T9-F13 PolarHBondContact O-N 3.24Å
10R73.8Confident67.3Low80 Ų8076.7 Ų76.730%0.30244%0.444SS..Hα-helixtrans-60.3-46.4172.6-74.9163.280.7156.12.8111.7G6 N7 T8 F13 M14 V132 H136G6-R10 WeakPolarHBondContact O-CD 3.48Å; G6-R10 VanDerWaalsContact O-CG 3.27Å; G6-R10 WeakPolarHBondContact O-CG 3.31Å; G6-R10 PolarHBondContact O-N 3.1Å; N7-R10 PolarHBondContact O-N 3.37Å; T8-R10 PolarHBondContact O-N 3.19Å; R10-F13 PolarHBondContact O-N 3.48Å; R10-M14 VanDerWaalsContact O-CG 3.29Å; R10-M14 WeakPolarHBondContact O-CG 3.49Å; R10-M14 PolarHBondContact O-N 3.18Å; R10-V132 HydrophobicContact CB-CG1 4.01Å; R10-V132 HydrophobicContact CG-CG1 4.14Å; R10-V132 VanDerWaalsContact CZ-O 3.25Å; R10-V132 PolarHBondContact NE-O 3.37Å; R10-V132 VanDerWaalsContact NE-O 3.07Å; R10-V132 PolarHBondContact NH2-O 2.99Å; R10-H136 PolarHBondContact NH1-CE1 3.46Å
11L70.9Confident68.5Low77 Ų7774 Ų7440%0.40343%0.427SS..Hα-helixtrans-64.6-42.5178.6-72.8167.3000112.6N7 T8 M14 L15 L133N7-L11 WeakPolarHBondContact O-CB 3.45Å; N7-L11 WeakPolarHBondContact O-CG 3.3Å; N7-L11 PolarHBondContact O-N 2.7Å; T8-L11 PolarHBondContact O-N 3.1Å; L11-M14 PolarHBondContact O-N 3.33Å; L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 PolarHBondContact O-N 3.47Å; L11-L133 HydrophobicContact CD2-CD2 3.85Å
12I80.5Confident71.1Confident97 Ų9765.4 Ų65.450%0.49738%0.384SS..Hα-helixtrans-64-43.8175.9-68.6169000110.7T8 T9 L15 V16T8-I12 HydrophobicContact CG2-CD1 3.91Å; T8-I12 HydrophobicContact CG2-CG1 4.49Å; T8-I12 WeakPolarHBondContact O-CG1 3Å; T8-I12 PolarHBondContact O-N 3.03Å; T9-I12 PolarHBondContact O-N 3.22Å; I12-L15 PolarHBondContact O-N 3.49Å; I12-V16 HydrophobicContact CG2-CG2 4.46Å; I12-V16 WeakPolarHBondContact O-CG2 3.49Å; I12-V16 PolarHBondContact O-N 3.35Å
13F82.1Confident74.1Confident116 Ų11665.9 Ų65.951%0.50937%0.369SS..Hα-helixtrans-62.4-42.7178176.3-109.2000112.2T9 R10 V16 L17T9-F13 VanDerWaalsContact O-CB 3.3Å; T9-F13 WeakPolarHBondContact O-CB 3.27Å; T9-F13 PolarHBondContact O-N 3.24Å; R10-F13 PolarHBondContact O-N 3.48Å; F13-V16 PolarHBondContact O-N 2.95Å; F13-L17 HydrophobicContact CD1-CD1 4.27Å; F13-L17 HydrophobicContact CE1-CD1 3.63Å; F13-L17 HydrophobicContact CE2-CD1 4.3Å; F13-L17 HydrophobicContact CZ-CD1 3.65Å; F13-L17 HydrophobicContact CZ-CG 4.35Å; F13-L17 PolarHBondContact O-N 3.31Å
14M78.6Confident76.7Confident19 Ų1964.4 Ų64.49%0.09436%0.359CS..Hα-helixtrans-62.8-45.8173.2-69.7-65.710300112R10 L11 V16 L17 V18 L128 G129 V132R10-M14 VanDerWaalsContact O-CG 3.29Å; R10-M14 WeakPolarHBondContact O-CG 3.49Å; R10-M14 PolarHBondContact O-N 3.18Å; L11-M14 PolarHBondContact O-N 3.33Å; M14-V16 VanDerWaalsContact C-N 3.32Å; M14-V16 PolarHBondContact O-N 3.11Å; M14-L17 HydrophobicContact CE-CD1 3.72Å; M14-L17 WeakPolarHBondContact O-CB 3.38Å; M14-L17 PolarHBondContact O-N 3.12Å; M14-L17 VanDerWaalsContact O-N 3.15Å; M14-V18 WeakPolarHBondContact O-CG2 3.44Å; M14-V18 PolarHBondContact O-N 2.86Å; M14-L128 HydrophobicContact CE-CD2 4.44Å; M14-L128 HydrophobicContact CE-CG 4.33Å; M14-G129 VanDerWaalsContact SD-CA 3.53Å; M14-V132 HydrophobicContact CE-CB 4.22Å; M14-V132 HydrophobicContact CE-CG1 4.13Å; M14-V132 HydrophobicContact CE-CG2 4.02Å; M14-V132 HydrophobicContact CG-CB 4.41Å; M14-V132 HydrophobicContact CG-CG1 3.92Å; M14-V132 HydrophobicContact SD-CB 4.01Å; M14-V132 HydrophobicContact SD-CG1 4.11Å; M14-V132 HydrophobicContact SD-CG2 4.38Å
15L80.1Confident79.4Confident45 Ų4560.5 Ų60.524%0.23633%0.332CS..Hα-helixtrans-59.6-41.6177.4-179.163.6000112.1L11 I12 V18 I19 C48 L51L11-L15 WeakPolarHBondContact O-CB 3.3Å; L11-L15 PolarHBondContact O-N 3.47Å; I12-L15 PolarHBondContact O-N 3.49Å; L15-V18 PolarHBondContact O-N 2.89Å; L15-I19 HydrophobicContact CD1-CD1 4.16Å; L15-I19 HydrophobicContact CD1-CG1 4.46Å; L15-I19 HydrophobicContact CG-CD1 3.95Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.34Å; L15-I19 PolarHBondContact O-N 3.1Å; L15-C48 HydrophobicContact CD1-CB 4.42Å; L15-L51 HydrophobicContact CD1-CD1 3.93Å
16V86.9Confident81.9Confident71 Ų7157.3 Ų57.343%0.4331%0.308SS..Hα-helixtrans-64.4-41.1175.6169.20000111.4I12 F13 M14 I19 I20I12-V16 HydrophobicContact CG2-CG2 4.46Å; I12-V16 WeakPolarHBondContact O-CG2 3.49Å; I12-V16 PolarHBondContact O-N 3.35Å; F13-V16 PolarHBondContact O-N 2.95Å; M14-V16 VanDerWaalsContact C-N 3.32Å; M14-V16 PolarHBondContact O-N 3.11Å; V16-I19 PolarHBondContact O-N 3.15Å; V16-I20 HydrophobicContact CG1-CD1 3.76Å; V16-I20 HydrophobicContact CG1-CG1 4.48Å; V16-I20 WeakPolarHBondContact O-CD1 3.44Å; V16-I20 VanDerWaalsContact O-CG1 3.26Å; V16-I20 WeakPolarHBondContact O-CG1 3.3Å; V16-I20 PolarHBondContact O-N 3.35Å
17L86Confident84.1Confident43 Ų4360.6 Ų60.623%0.22532%0.315CS..Hα-helixtrans-62.5-45.3174.3-85.6171.4000112.3F13 M14 I19 I20 Y21 L128F13-L17 HydrophobicContact CD1-CD1 4.27Å; F13-L17 HydrophobicContact CE1-CD1 3.63Å; F13-L17 HydrophobicContact CE2-CD1 4.3Å; F13-L17 HydrophobicContact CZ-CD1 3.65Å; F13-L17 HydrophobicContact CZ-CG 4.35Å; F13-L17 PolarHBondContact O-N 3.31Å; M14-L17 HydrophobicContact CE-CD1 3.72Å; M14-L17 WeakPolarHBondContact O-CB 3.38Å; M14-L17 PolarHBondContact O-N 3.12Å; M14-L17 VanDerWaalsContact O-N 3.15Å; L17-I19 PolarHBondContact O-N 3.33Å; L17-I20 PolarHBondContact O-N 3.02Å; L17-Y21 VanDerWaalsContact O-CB 3.25Å; L17-Y21 WeakPolarHBondContact O-CB 3.32Å; L17-Y21 PolarHBondContact O-N 2.63Å; L17-L128 HydrophobicContact CD1-CD2 4.24Å
18V84.5Confident85.6Confident18 Ų1858.8 Ų58.811%0.10931%0.306CS..Hα-helixtrans-60.1-44.9176.4172.10000110.9M14 L15 I20 Y21 F22 M44M14-V18 WeakPolarHBondContact O-CG2 3.44Å; M14-V18 PolarHBondContact O-N 2.86Å; L15-V18 PolarHBondContact O-N 2.89Å; V18-I20 PolarHBondContact O-N 3.04Å; V18-Y21 PolarHBondContact O-N 3.38Å; V18-F22 VanDerWaalsContact O-CB 3.26Å; V18-F22 WeakPolarHBondContact O-CB 3.44Å; V18-F22 PolarHBondContact O-N 3.29Å; V18-M44 HydrophobicContact CG1-CB 4.12Å; V18-M44 HydrophobicContact CG1-CG 4.32Å; V18-M44 HydrophobicContact CG1-SD 4.29Å
19I88Confident86.8Confident67 Ų6756.1 Ų56.134%0.34429%0.29SS..Hα-helixtrans-63.5-42.5177.7-68.7165000112L15 V16 L17 L23L15-I19 HydrophobicContact CD1-CD1 4.16Å; L15-I19 HydrophobicContact CD1-CG1 4.46Å; L15-I19 HydrophobicContact CG-CD1 3.95Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.34Å; L15-I19 PolarHBondContact O-N 3.1Å; V16-I19 PolarHBondContact O-N 3.15Å; L17-I19 PolarHBondContact O-N 3.33Å; I19-L23 PolarHBondContact O-N 2.71Å
20I91.8Very high87.8Confident98 Ų9856.8 Ų56.850%0.50329%0.289SS..Hα-helixtrans-63.2-45.5176.7-71.1165.7000110.2V16 L17 V18 L23 V24V16-I20 HydrophobicContact CG1-CD1 3.76Å; V16-I20 HydrophobicContact CG1-CG1 4.48Å; V16-I20 WeakPolarHBondContact O-CD1 3.44Å; V16-I20 VanDerWaalsContact O-CG1 3.26Å; V16-I20 WeakPolarHBondContact O-CG1 3.3Å; V16-I20 PolarHBondContact O-N 3.35Å; L17-I20 PolarHBondContact O-N 3.02Å; V18-I20 PolarHBondContact O-N 3.04Å; I20-L23 PolarHBondContact O-N 2.98Å; I20-V24 PolarHBondContact O-N 3.31Å
21Y91.6Very high88.8Confident21 Ų2156.4 Ų56.48%0.08230%0.298CS..Hα-helixtrans-71.8-37.5-175.5-174.2-100.4000112.3L17 V18 L23 V24 E25 M44 V118 G122 V125L17-Y21 VanDerWaalsContact O-CB 3.25Å; L17-Y21 WeakPolarHBondContact O-CB 3.32Å; L17-Y21 PolarHBondContact O-N 2.63Å; V18-Y21 PolarHBondContact O-N 3.38Å; Y21-L23 VanDerWaalsContact C-N 3.28Å; Y21-L23 PolarHBondContact O-N 2.83Å; Y21-V24 WeakPolarHBondContact O-CA 3.42Å; Y21-V24 WeakPolarHBondContact O-CB 3.23Å; Y21-V24 PolarHBondContact O-N 2.89Å; Y21-E25 HydrophobicContact CD1-CG 4.06Å; Y21-E25 HydrophobicContact CE1-CG 3.35Å; Y21-E25 WeakPolarHBondContact CE1-OE1 3.25Å; Y21-E25 HydrophobicContact CE2-CG 4.34Å; Y21-E25 VanDerWaalsContact CZ-CG 3.46Å; Y21-E25 VanDerWaalsContact CZ-OE1 3.24Å; Y21-E25 PolarHBondContact O-N 3.22Å; Y21-E25 WeakPolarHBondContact OH-CG 3.32Å; Y21-E25 PolarHBondContact OH-OE1 2.93Å; Y21-M44 HydrophobicContact CD1-CE 3.81Å; Y21-M44 HydrophobicContact CD1-SD 3.81Å; Y21-M44 HydrophobicContact CE1-CE 3.95Å; Y21-M44 HydrophobicContact CE1-SD 4.32Å; Y21-V118 HydrophobicContact CE2-CG1 4.44Å; Y21-V118 VanDerWaalsContact OH-C 3.25Å; Y21-V118 WeakPolarHBondContact OH-CG1 3.16Å; Y21-V118 PolarHBondContact OH-O 2.9Å; Y21-G122 VanDerWaalsContact OH-CA 3.26Å; Y21-G122 WeakPolarHBondContact OH-CA 3.38Å; Y21-G122 PolarHBondContact OH-N 2.99Å; Y21-V125 HydrophobicContact CD2-CG2 4.31Å; Y21-V125 HydrophobicContact CG-CG2 4.29Å
22F91.7Very high89.8Confident24 Ų2453 Ų5311%0.10528%0.281CS..Hα-helixtrans-48.4-46.8166.8152.7-113.9000112.6V18 V24 E25 L26 S41 M44 L45V18-F22 VanDerWaalsContact O-CB 3.26Å; V18-F22 WeakPolarHBondContact O-CB 3.44Å; V18-F22 PolarHBondContact O-N 3.29Å; F22-V24 VanDerWaalsContact C-N 3.33Å; F22-V24 PolarHBondContact O-N 3.42Å; F22-E25 PolarHBondContact O-N 3.35Å; F22-L26 HydrophobicContact CE2-CB 4.14Å; F22-L26 HydrophobicContact CE2-CD2 3.92Å; F22-L26 HydrophobicContact CZ-CD2 3.8Å; F22-L26 WeakPolarHBondContact O-CB 3.43Å; F22-L26 PolarHBondContact O-N 3.32Å; F22-S41 WeakPolarHBondContact CD2-O 3.49Å; F22-S41 WeakPolarHBondContact CE2-O 3.44Å; F22-M44 HydrophobicContact CB-CB 4.38Å; F22-M44 HydrophobicContact CB-CE 4.4Å; F22-L45 HydrophobicContact CD2-CB 4.07Å; F22-L45 HydrophobicContact CE1-CD1 3.97Å; F22-L45 HydrophobicContact CE2-CB 3.79Å; F22-L45 HydrophobicContact CE2-CD2 4.17Å; F22-L45 HydrophobicContact CE2-CG 4.39Å; F22-L45 HydrophobicContact CZ-CB 4.07Å; F22-L45 HydrophobicContact CZ-CD1 4Å; F22-L45 HydrophobicContact CZ-CD2 3.86Å; F22-L45 HydrophobicContact CZ-CG 4.19Å
23L94.1Very high90.4Very high84 Ų8452.1 Ų52.144%0.4427%0.274SS..Hα-helixtrans-65.7-36.5178.8-66.9173000112I19 I20 Y21 I27I19-L23 PolarHBondContact O-N 2.71Å; I20-L23 PolarHBondContact O-N 2.98Å; Y21-L23 VanDerWaalsContact C-N 3.28Å; Y21-L23 PolarHBondContact O-N 2.83Å; L23-I27 WeakPolarHBondContact O-CB 3.45Å; L23-I27 WeakPolarHBondContact O-CD1 3.48Å; L23-I27 WeakPolarHBondContact O-CG1 3.22Å; L23-I27 PolarHBondContact O-N 3.47Å
24V95Very high90.9Very high63 Ų6346.7 Ų46.738%0.38225%0.25SS..Hα-helixtrans-64-47.9175.3176.10000110.6I20 Y21 F22 I27 V28 V118I20-V24 PolarHBondContact O-N 3.31Å; Y21-V24 WeakPolarHBondContact O-CA 3.42Å; Y21-V24 WeakPolarHBondContact O-CB 3.23Å; Y21-V24 PolarHBondContact O-N 2.89Å; F22-V24 VanDerWaalsContact C-N 3.33Å; F22-V24 PolarHBondContact O-N 3.42Å; V24-I27 PolarHBondContact O-N 2.97Å; V24-V28 HydrophobicContact CG1-CG2 4.45Å; V24-V28 WeakPolarHBondContact O-CB 3.44Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 3.38Å; V24-V118 HydrophobicContact CG1-CG2 4.32Å
25E93.9Very high91.5Very high0 Ų047 Ų470%025%0.252CS..Hα-helixtrans-63.9-43.7178.1-64.5-146.3143.300112.8Y21 F22 G29 L37 D40 S41 M44 V118Y21-E25 HydrophobicContact CD1-CG 4.06Å; Y21-E25 HydrophobicContact CE1-CG 3.35Å; Y21-E25 WeakPolarHBondContact CE1-OE1 3.25Å; Y21-E25 HydrophobicContact CE2-CG 4.34Å; Y21-E25 VanDerWaalsContact CZ-CG 3.46Å; Y21-E25 VanDerWaalsContact CZ-OE1 3.24Å; Y21-E25 PolarHBondContact O-N 3.22Å; Y21-E25 WeakPolarHBondContact OH-CG 3.32Å; Y21-E25 PolarHBondContact OH-OE1 2.93Å; F22-E25 PolarHBondContact O-N 3.35Å; E25-G29 WeakPolarHBondContact O-CA 3.28Å; E25-G29 PolarHBondContact O-N 3.5Å; E25-L37 HydrophobicContact CB-CD1 3.81Å; E25-L37 HydrophobicContact CB-CG 4.33Å; E25-L37 VanDerWaalsContact CD-CD1 3.46Å; E25-L37 HydrophobicContact CG-CD1 3.81Å; E25-L37 WeakPolarHBondContact OE1-CD1 3.42Å; E25-D40 WeakPolarHBondContact OE2-CB 3.32Å; E25-S41 PolarHBondContact OE2-N 2.95Å; E25-M44 HydrophobicContact CB-CE 4.33Å; E25-M44 HydrophobicContact CG-CE 3.89Å; E25-M44 WeakPolarHBondContact OE2-CE 3.46Å; E25-V118 HydrophobicContact CB-CG1 4.49Å; E25-V118 HydrophobicContact CG-CG1 3.77Å
26L94.8Very high92.1Very high36 Ų3644.8 Ų44.819%0.18824%0.241CC..Hα-helixtrans-62.7-46.5179.2-178.663.5000111.2F22 I30 F42F22-L26 HydrophobicContact CE2-CB 4.14Å; F22-L26 HydrophobicContact CE2-CD2 3.92Å; F22-L26 HydrophobicContact CZ-CD2 3.8Å; F22-L26 WeakPolarHBondContact O-CB 3.43Å; F22-L26 PolarHBondContact O-N 3.32Å; L26-I30 HydrophobicContact CD1-CD1 3.77Å; L26-I30 HydrophobicContact CD1-CG1 4.34Å; L26-I30 HydrophobicContact CG-CD1 4.03Å; L26-I30 WeakPolarHBondContact O-CB 3.44Å; L26-I30 WeakPolarHBondContact O-CD1 3.37Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.26Å; L26-I30 PolarHBondContact O-N 3.39Å; L26-I30 VanDerWaalsContact O-N 3.07Å; L26-F42 HydrophobicContact CD1-CE2 4.28Å; L26-F42 HydrophobicContact CD1-CZ 4.26Å
27I95.8Very high92.4Very high108 Ų10841.4 Ų41.455%0.55422%0.22SC*.Hα-helixtrans-64.9-48.3179.8-69166.5000110.6L23 V24 S31L23-I27 WeakPolarHBondContact O-CB 3.45Å; L23-I27 WeakPolarHBondContact O-CD1 3.48Å; L23-I27 WeakPolarHBondContact O-CG1 3.22Å; L23-I27 PolarHBondContact O-N 3.47Å; V24-I27 PolarHBondContact O-N 2.97Å; I27-S31 WeakPolarHBondContact O-CB 3.28Å; I27-S31 PolarHBondContact O-N 2.99Å; I27-S31 PolarHBondContact O-OG 2.92Å
28V95.3Very high92.7Very high22 Ų2240.8 Ų40.813%0.13322%0.218CC..Hα-helixtrans-70.2-42.8-178.9177.30000110.8V24 I30 S31 I32 L37 M114 V118V24-V28 HydrophobicContact CG1-CG2 4.45Å; V24-V28 WeakPolarHBondContact O-CB 3.44Å; V24-V28 WeakPolarHBondContact O-CG2 3.37Å; V24-V28 PolarHBondContact O-N 3.38Å; V28-I30 PolarHBondContact O-N 3.24Å; V28-S31 CarbonylContact O-C 3.58Å; V28-S31 WeakPolarHBondContact O-CA 3.4Å; V28-S31 WeakPolarHBondContact O-CB 3.36Å; V28-S31 PolarHBondContact O-N 2.98Å; V28-I32 HydrophobicContact CG1-CD1 4.34Å; V28-I32 HydrophobicContact CG1-CG2 3.91Å; V28-I32 WeakPolarHBondContact O-CG1 3.29Å; V28-I32 WeakPolarHBondContact O-CG2 3.47Å; V28-I32 PolarHBondContact O-N 2.89Å; V28-L37 HydrophobicContact CB-CD2 4.21Å; V28-L37 HydrophobicContact CG1-CD2 3.98Å; V28-M114 HydrophobicContact CG1-CB 4.22Å; V28-V118 HydrophobicContact CB-CG2 4.02Å; V28-V118 HydrophobicContact CG1-CG2 3.84Å; V28-V118 HydrophobicContact CG2-CG2 3.94Å
29G93.7Very high93Very high0 Ų040 Ų400%021%0.213CC..Hα-helixtrans-57.6-44.5178.100000113.1E25 H33 S34E25-G29 WeakPolarHBondContact O-CA 3.28Å; E25-G29 PolarHBondContact O-N 3.5Å; G29-H33 PolarHBondContact O-N 3.35Å; G29-H33 VanDerWaalsContact O-N 3.14Å; G29-S34 PolarHBondContact O-N 3.28Å
30I93.8Very high93.2Very high104 Ų10436.8 Ų36.853%0.53320%0.197SC..Hα-helixtrans-64.1-46171.7-67.7168.9000110.4L26 V28 I32 H33 V38L26-I30 HydrophobicContact CD1-CD1 3.77Å; L26-I30 HydrophobicContact CD1-CG1 4.34Å; L26-I30 HydrophobicContact CG-CD1 4.03Å; L26-I30 WeakPolarHBondContact O-CB 3.44Å; L26-I30 WeakPolarHBondContact O-CD1 3.37Å; L26-I30 VanDerWaalsContact O-CG1 3.24Å; L26-I30 WeakPolarHBondContact O-CG1 3.26Å; L26-I30 PolarHBondContact O-N 3.39Å; L26-I30 VanDerWaalsContact O-N 3.07Å; V28-I30 PolarHBondContact O-N 3.24Å; I30-I32 PolarHBondContact O-N 3.33Å; I30-H33 PolarHBondContact O-N 3.48Å; I30-V38 HydrophobicContact CG1-CG2 4.08Å
31S94.9Very high93.2Very high71 Ų7132.1 Ų32.150%0.49717%0.173SC..Hα-helixtrans-64.4-35-177.2-57.90000113.8I27 V28I27-S31 WeakPolarHBondContact O-CB 3.28Å; I27-S31 PolarHBondContact O-N 2.99Å; I27-S31 PolarHBondContact O-OG 2.92Å; V28-S31 CarbonylContact O-C 3.58Å; V28-S31 WeakPolarHBondContact O-CA 3.4Å; V28-S31 WeakPolarHBondContact O-CB 3.36Å; V28-S31 PolarHBondContact O-N 2.98Å
32I93.6Very high93.1Very high7 Ų734.5 Ų34.54%0.03618%0.184CC..THydrogen-bonded Turntrans-93-0.3178.974.3178.5000113.2V28 I30 S34 L37 I109 E110 M114 M115V28-I32 HydrophobicContact CG1-CD1 4.34Å; V28-I32 HydrophobicContact CG1-CG2 3.91Å; V28-I32 WeakPolarHBondContact O-CG1 3.29Å; V28-I32 WeakPolarHBondContact O-CG2 3.47Å; V28-I32 PolarHBondContact O-N 2.89Å; I30-I32 PolarHBondContact O-N 3.33Å; I32-S34 VanDerWaalsContact C-N 3.31Å; I32-S34 PolarHBondContact O-N 3.34Å; I32-L37 HydrophobicContact CD1-CD2 3.89Å; I32-I109 HydrophobicContact CB-CG2 4.27Å; I32-I109 HydrophobicContact CD1-CG2 4.26Å; I32-I109 HydrophobicContact CG1-CG2 4.32Å; I32-I109 WeakPolarHBondContact O-CA 3.46Å; I32-E110 WeakPolarHBondContact CB-O 3.38Å; I32-E110 WeakPolarHBondContact CG2-O 3.44Å; I32-E110 PolarHBondContact O-N 2.96Å; I32-M114 HydrophobicContact CG2-CB 4.16Å; I32-M115 HydrophobicContact CD1-CB 3.67Å; I32-M115 HydrophobicContact CD1-CG 3.88Å; I32-M115 HydrophobicContact CD1-SD 4.5Å
33H92.3Very high92.9Very high78 Ų7833.8 Ų33.836%0.36118%0.181SC..THydrogen-bonded Turntrans56.135.4-173.3-55.788.7000114.3G29 I30 R102 E110G29-H33 PolarHBondContact O-N 3.35Å; G29-H33 VanDerWaalsContact O-N 3.14Å; I30-H33 PolarHBondContact O-N 3.48Å; H33-R102 PolarHBondContact O-NH2 2.91Å; H33-E110 IonicContact CE1-OE2 3.62Å; H33-E110 PolarHBondContact CE1-OE2 2.99Å; H33-E110 IonicContact ND1-OE2 3.21Å; H33-E110 PolarHBondContact ND1-OE2 3.29Å
34S92.8Very high92.5Very high1 Ų129.9 Ų29.91%0.00716%0.16CC..  trans-94.8120.3175.5168.40000111G29 I32 S36 L37 V38 M115 D281G29-S34 PolarHBondContact O-N 3.28Å; I32-S34 VanDerWaalsContact C-N 3.31Å; I32-S34 PolarHBondContact O-N 3.34Å; S34-S36 PolarHBondContact OG-N 3.47Å; S34-L37 PolarHBondContact OG-N 3.05Å; S34-L37 VanDerWaalsContact OG-N 3.13Å; S34-V38 VanDerWaalsContact O-CG2 3.29Å; S34-V38 WeakPolarHBondContact O-CG2 3.46Å; S34-V38 PolarHBondContact O-N 2.98Å; S34-M115 WeakPolarHBondContact OG-CE 3.4Å; S34-D281 PolarHBondContact OG-OD1 2.92Å
35I91Very high92.2Very high25 Ų2529.3 Ų29.313%0.12816%0.155CC..Hα-helixtrans-74.7-32.6174.6-57.2-169.5000110.3L37 V38 A39 R98 R102 D281I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 2.89Å; I35-V38 PolarHBondContact O-N 3.4Å; I35-A39 VanDerWaalsContact O-CB 3.23Å; I35-A39 WeakPolarHBondContact O-CB 3.36Å; I35-A39 PolarHBondContact O-N 2.78Å; I35-R98 HydrophobicContact CD1-CB 4.47Å; I35-R98 WeakPolarHBondContact CD1-O 3.3Å; I35-R98 HydrophobicContact CG2-CB 4.47Å; I35-R102 HydrophobicContact CD1-CB 3.42Å; I35-R102 VanDerWaalsContact CD1-CB 3.42Å; I35-R102 HydrophobicContact CD1-CG 3.6Å; I35-R102 HydrophobicContact CG1-CG 4.4Å; I35-D281 WeakPolarHBondContact CA-OD2 3.34Å; I35-D281 WeakPolarHBondContact CB-OD2 3.36Å; I35-D281 PolarHBondContact N-OD2 3.47Å
36S92.4Very high91.8Very high0 Ų029.3 Ų29.30%016%0.155CC..Hα-helixtrans-63.7-39.5177.7-1700000112S34 D40 D281 S285S34-S36 PolarHBondContact OG-N 3.47Å; S36-D40 PolarHBondContact O-N 3.37Å; S36-D281 WeakPolarHBondContact CB-OD1 3.49Å; S36-D281 PolarHBondContact N-OD1 3.4Å; S36-D281 VanDerWaalsContact N-OD1 3.1Å; S36-D281 PolarHBondContact N-OD2 3.12Å; S36-S285 VanDerWaalsContact CA-OG 3.28Å; S36-S285 WeakPolarHBondContact CA-OG 3.3Å; S36-S285 PolarHBondContact N-OG 3.43Å; S36-S285 VanDerWaalsContact N-OG 3.16Å
37L92.9Very high91.2Very high0 Ų028.1 Ų28.10%015%0.149CC..Hα-helixtrans-75.4-35.4177.3-176.157.7000112.1E25 V28 I32 S34 I35 A39 D40 S41 V118 V255E25-L37 HydrophobicContact CB-CD1 3.81Å; E25-L37 HydrophobicContact CB-CG 4.33Å; E25-L37 VanDerWaalsContact CD-CD1 3.46Å; E25-L37 HydrophobicContact CG-CD1 3.81Å; E25-L37 WeakPolarHBondContact OE1-CD1 3.42Å; V28-L37 HydrophobicContact CB-CD2 4.21Å; V28-L37 HydrophobicContact CG1-CD2 3.98Å; I32-L37 HydrophobicContact CD1-CD2 3.89Å; S34-L37 PolarHBondContact OG-N 3.05Å; S34-L37 VanDerWaalsContact OG-N 3.13Å; I35-L37 VanDerWaalsContact C-N 3.34Å; I35-L37 PolarHBondContact O-N 2.89Å; L37-A39 VanDerWaalsContact C-N 3.32Å; L37-D40 PolarHBondContact O-N 3.38Å; L37-S41 PolarHBondContact O-N 2.86Å; L37-S41 VanDerWaalsContact O-N 3.1Å; L37-V118 HydrophobicContact CD1-CG1 3.78Å; L37-V118 HydrophobicContact CD2-CB 4.38Å; L37-V118 HydrophobicContact CD2-CG1 4.09Å; L37-V255 HydrophobicContact CD1-CG1 4.07Å
38V92.7Very high90.6Very high30 Ų3023.9 Ų23.918%0.18213%0.129CC..Hα-helixtrans-65.5-36.8171.71700000111.3I30 S34 I35 S41 F42I30-V38 HydrophobicContact CG1-CG2 4.08Å; S34-V38 VanDerWaalsContact O-CG2 3.29Å; S34-V38 WeakPolarHBondContact O-CG2 3.46Å; S34-V38 PolarHBondContact O-N 2.98Å; I35-V38 PolarHBondContact O-N 3.4Å; V38-S41 PolarHBondContact O-N 3.43Å; V38-S41 PolarHBondContact O-OG 2.72Å; V38-F42 HydrophobicContact CG1-CD2 3.61Å; V38-F42 HydrophobicContact CG1-CE2 3.51Å; V38-F42 VanDerWaalsContact O-CD2 3.28Å; V38-F42 WeakPolarHBondContact O-CD2 3.49Å; V38-F42 PolarHBondContact O-N 3.29Å
39A91.6Very high90.1Very high1 Ų126.4 Ų26.41%0.00814%0.141CC..Hα-helixtrans-63.9-44.717600000112.4I35 L37 S41 F42 H43 I95 M288I35-A39 VanDerWaalsContact O-CB 3.23Å; I35-A39 WeakPolarHBondContact O-CB 3.36Å; I35-A39 PolarHBondContact O-N 2.78Å; L37-A39 VanDerWaalsContact C-N 3.32Å; A39-S41 VanDerWaalsContact C-N 3.35Å; A39-F42 PolarHBondContact O-N 3.04Å; A39-H43 PolarHBondContact O-N 2.94Å; A39-I95 HydrophobicContact CB-CD1 4.18Å; A39-I95 HydrophobicContact CB-CG1 4.49Å; A39-I95 HydrophobicContact CB-CG2 3.57Å; A39-M288 HydrophobicContact CB-SD 3.76Å
40D90.9Very high89.7Confident0 Ų027.4 Ų27.40%015%0.149CC..Hα-helixtrans-61.5-43175.6-15220.1000111E25 S36 L37 F42 H43 M44 G251 S252 V255 M288E25-D40 WeakPolarHBondContact OE2-CB 3.32Å; S36-D40 PolarHBondContact O-N 3.37Å; L37-D40 PolarHBondContact O-N 3.38Å; D40-F42 PolarHBondContact O-N 3.39Å; D40-H43 WeakPolarHBondContact O-CB 3.44Å; D40-H43 PolarHBondContact O-N 3.35Å; D40-M44 PolarHBondContact O-N 2.98Å; D40-G251 WeakPolarHBondContact OD1-CA 3.37Å; D40-S252 VanDerWaalsContact OD2-CA 3.31Å; D40-S252 WeakPolarHBondContact OD2-CA 3.37Å; D40-S252 PolarHBondContact OD2-N 3.24Å; D40-S252 PolarHBondContact OD2-OG 3.14Å; D40-V255 HydrophobicContact CB-CG2 3.97Å; D40-M288 HydrophobicContact CB-CE 4.09Å; D40-M288 WeakPolarHBondContact OD1-CE 3.41Å
41S91.7Very high89Confident0 Ų024.9 Ų24.90%014%0.136CC..Hα-helixtrans-59.7-44.2173.384.20000113.4F22 E25 L37 V38 A39 H43 L45F22-S41 WeakPolarHBondContact CD2-O 3.49Å; F22-S41 WeakPolarHBondContact CE2-O 3.44Å; E25-S41 PolarHBondContact OE2-N 2.95Å; L37-S41 PolarHBondContact O-N 2.86Å; L37-S41 VanDerWaalsContact O-N 3.1Å; V38-S41 PolarHBondContact O-N 3.43Å; V38-S41 PolarHBondContact O-OG 2.72Å; A39-S41 VanDerWaalsContact C-N 3.35Å; S41-H43 VanDerWaalsContact C-N 3.34Å; S41-H43 PolarHBondContact O-N 3.46Å; S41-L45 PolarHBondContact O-N 3.37Å
42F89.5Confident88.5Confident71 Ų7125.1 Ų25.131%0.31114%0.135SC..Hα-helixtrans-72-27.2178.7-82-60.9000113.1L26 V38 A39 D40 L45 S46 I95L26-F42 HydrophobicContact CD1-CE2 4.28Å; L26-F42 HydrophobicContact CD1-CZ 4.26Å; V38-F42 HydrophobicContact CG1-CD2 3.61Å; V38-F42 HydrophobicContact CG1-CE2 3.51Å; V38-F42 VanDerWaalsContact O-CD2 3.28Å; V38-F42 WeakPolarHBondContact O-CD2 3.49Å; V38-F42 PolarHBondContact O-N 3.29Å; A39-F42 PolarHBondContact O-N 3.04Å; D40-F42 PolarHBondContact O-N 3.39Å; F42-L45 HydrophobicContact CD1-CD2 4.14Å; F42-L45 HydrophobicContact CE1-CD2 4.39Å; F42-S46 PolarHBondContact O-N 3.42Å; F42-I95 HydrophobicContact CB-CD1 4.11Å
43H87.3Confident88.3Confident9 Ų926.8 Ų26.84%0.04214%0.143CC..Hα-helixtrans-64-54.8171.4-176.8-90.6000110.9A39 D40 S41 L45 S46 D47 A247 D248 M288 I292A39-H43 PolarHBondContact O-N 2.94Å; D40-H43 WeakPolarHBondContact O-CB 3.44Å; D40-H43 PolarHBondContact O-N 3.35Å; S41-H43 VanDerWaalsContact C-N 3.34Å; S41-H43 PolarHBondContact O-N 3.46Å; H43-L45 VanDerWaalsContact C-N 3.25Å; H43-L45 PolarHBondContact O-N 2.96Å; H43-S46 WeakPolarHBondContact O-CA 3.13Å; H43-S46 VanDerWaalsContact O-CB 3.27Å; H43-S46 WeakPolarHBondContact O-CB 3.33Å; H43-S46 PolarHBondContact O-N 3.13Å; H43-D47 IonicContact CE1-OD2 3.43Å; H43-D47 PolarHBondContact CE1-OD2 3.02Å; H43-D47 IonicContact ND1-OD2 3.82Å; H43-D47 IonicContact NE2-OD2 3.52Å; H43-D47 PolarHBondContact O-N 3.47Å; H43-A247 VanDerWaalsContact CE1-CB 3.42Å; H43-A247 WeakPolarHBondContact CE1-CB 3.28Å; H43-D248 IonicContact CE1-OD1 3.37Å; H43-D248 PolarHBondContact CE1-OD1 2.75Å; H43-D248 VanDerWaalsContact CE1-OD1 3.31Å; H43-D248 IonicContact ND1-OD1 3.68Å; H43-D248 PolarHBondContact ND1-OD1 2.89Å; H43-M288 HydrophobicContact CB-CE 3.72Å; H43-I292 WeakPolarHBondContact CD2-CD1 3.36Å
44M87Confident87.8Confident1 Ų124.7 Ų24.71%0.00514%0.143CC..Hα-helixtrans-57.1-37176.1-74.6-172.3-72.200112.9V18 Y21 F22 E25 D40 D47 C48V18-M44 HydrophobicContact CG1-CB 4.12Å; V18-M44 HydrophobicContact CG1-CG 4.32Å; V18-M44 HydrophobicContact CG1-SD 4.29Å; Y21-M44 HydrophobicContact CD1-CE 3.81Å; Y21-M44 HydrophobicContact CD1-SD 3.81Å; Y21-M44 HydrophobicContact CE1-CE 3.95Å; Y21-M44 HydrophobicContact CE1-SD 4.32Å; F22-M44 HydrophobicContact CB-CB 4.38Å; F22-M44 HydrophobicContact CB-CE 4.4Å; E25-M44 HydrophobicContact CB-CE 4.33Å; E25-M44 HydrophobicContact CG-CE 3.89Å; E25-M44 WeakPolarHBondContact OE2-CE 3.46Å; D40-M44 PolarHBondContact O-N 2.98Å; M44-D47 PolarHBondContact O-N 3.44Å; M44-C48 PolarHBondContact O-N 3.16Å
45L87.5Confident87.4Confident52 Ų5229.1 Ų29.127%0.27217%0.165SC..Hα-helixtrans-64.1-44.2173.3179.963.2000111.8F22 S41 F42 H43 D47 C48 L49F22-L45 HydrophobicContact CD2-CB 4.07Å; F22-L45 HydrophobicContact CE1-CD1 3.97Å; F22-L45 HydrophobicContact CE2-CB 3.79Å; F22-L45 HydrophobicContact CE2-CD2 4.17Å; F22-L45 HydrophobicContact CE2-CG 4.39Å; F22-L45 HydrophobicContact CZ-CB 4.07Å; F22-L45 HydrophobicContact CZ-CD1 4Å; F22-L45 HydrophobicContact CZ-CD2 3.86Å; F22-L45 HydrophobicContact CZ-CG 4.19Å; S41-L45 PolarHBondContact O-N 3.37Å; F42-L45 HydrophobicContact CD1-CD2 4.14Å; F42-L45 HydrophobicContact CE1-CD2 4.39Å; H43-L45 VanDerWaalsContact C-N 3.25Å; H43-L45 PolarHBondContact O-N 2.96Å; L45-D47 PolarHBondContact O-N 3.1Å; L45-C48 PolarHBondContact O-N 2.63Å; L45-L49 WeakPolarHBondContact O-CG 3.39Å; L45-L49 PolarHBondContact O-N 3.26Å
46S85.8Confident87.3Confident0 Ų031.3 Ų31.30%018%0.18CC..Hα-helixtrans-58.2-39.7175.8-168.10000111.4F42 H43 L49 A50 L88F42-S46 PolarHBondContact O-N 3.42Å; H43-S46 WeakPolarHBondContact O-CA 3.13Å; H43-S46 VanDerWaalsContact O-CB 3.27Å; H43-S46 WeakPolarHBondContact O-CB 3.33Å; H43-S46 PolarHBondContact O-N 3.13Å; S46-L49 CarbonylContact O-C 3.56Å; S46-L49 WeakPolarHBondContact O-CB 3.34Å; S46-L49 PolarHBondContact O-N 2.81Å; S46-A50 PolarHBondContact O-N 2.96Å; S46-L88 WeakPolarHBondContact OG-CD1 3.18Å
47D81.7Confident87.1Confident11 Ų1131.6 Ų31.66%0.05918%0.183CC..Hα-helixtrans-77.5-31.5-179.3-74.3-18.6000113.3H43 M44 L45 L49 A50 L51 H244H43-D47 IonicContact CE1-OD2 3.43Å; H43-D47 PolarHBondContact CE1-OD2 3.02Å; H43-D47 IonicContact ND1-OD2 3.82Å; H43-D47 IonicContact NE2-OD2 3.52Å; H43-D47 PolarHBondContact O-N 3.47Å; M44-D47 PolarHBondContact O-N 3.44Å; L45-D47 PolarHBondContact O-N 3.1Å; D47-L49 VanDerWaalsContact C-N 3.3Å; D47-L49 PolarHBondContact O-N 2.95Å; D47-A50 VanDerWaalsContact O-CB 3.31Å; D47-A50 WeakPolarHBondContact O-CB 3.49Å; D47-A50 PolarHBondContact O-N 3.01Å; D47-L51 WeakPolarHBondContact O-CG 3.43Å; D47-L51 PolarHBondContact O-N 3.41Å; D47-H244 WeakPolarHBondContact CB-CE1 3.17Å; D47-H244 WeakPolarHBondContact CB-ND1 3.17Å; D47-H244 IonicContact OD2-CE1 3.35Å; D47-H244 IonicContact OD2-CG 3.67Å; D47-H244 IonicContact OD2-ND1 2.73Å; D47-H244 PolarHBondContact OD2-ND1 3.49Å
48C83.4Confident86.7Confident19 Ų1932.7 Ų32.713%0.12819%0.19CC..Hα-helixtrans-58.7-43.4165.2-179.30000111.1L15 M44 L45 L51 V52L15-C48 HydrophobicContact CD1-CB 4.42Å; M44-C48 PolarHBondContact O-N 3.16Å; L45-C48 PolarHBondContact O-N 2.63Å; C48-L51 PolarHBondContact O-N 2.95Å; C48-V52 WeakPolarHBondContact O-CG2 3.27Å; C48-V52 PolarHBondContact O-N 3.45Å; C48-V52 VanDerWaalsContact O-N 3.16Å
49L86.2Confident86.5Confident75 Ų7536.6 Ų36.639%0.39321%0.206SC..Hα-helixtrans-64.8-39.8173.8-66.4171.6000111.5L45 S46 D47 L51 V52 I53L45-L49 WeakPolarHBondContact O-CG 3.39Å; L45-L49 PolarHBondContact O-N 3.26Å; S46-L49 CarbonylContact O-C 3.56Å; S46-L49 WeakPolarHBondContact O-CB 3.34Å; S46-L49 PolarHBondContact O-N 2.81Å; D47-L49 VanDerWaalsContact C-N 3.3Å; D47-L49 PolarHBondContact O-N 2.95Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L49-L51 PolarHBondContact O-N 3.46Å; L49-V52 PolarHBondContact O-N 2.96Å; L49-I53 WeakPolarHBondContact O-CB 3.45Å; L49-I53 VanDerWaalsContact O-CG1 3.24Å; L49-I53 WeakPolarHBondContact O-CG1 3.25Å; L49-I53 PolarHBondContact O-N 3.29Å
50A83.7Confident86.4Confident20 Ų2038.5 Ų38.517%0.16522%0.216CC..Hα-helixtrans-56.8-46175.500000112.3S46 D47 G54 N84S46-A50 PolarHBondContact O-N 2.96Å; D47-A50 VanDerWaalsContact O-CB 3.31Å; D47-A50 WeakPolarHBondContact O-CB 3.49Å; D47-A50 PolarHBondContact O-N 3.01Å; A50-G54 PolarHBondContact O-N 3.33Å; A50-N84 WeakPolarHBondContact CA-OD1 3.35Å; A50-N84 WeakPolarHBondContact CB-ND2 3.31Å; A50-N84 WeakPolarHBondContact CB-OD1 3.44Å
51L80.3Confident86.2Confident52 Ų5239.3 Ų39.327%0.27222%0.222SC..Hα-helixtrans-64.8-44.2178.3-71170.7000111.6L15 D47 C48 L49 G54 I55 V241L15-L51 HydrophobicContact CD1-CD1 3.93Å; D47-L51 WeakPolarHBondContact O-CG 3.43Å; D47-L51 PolarHBondContact O-N 3.41Å; C48-L51 PolarHBondContact O-N 2.95Å; L49-L51 VanDerWaalsContact C-N 3.34Å; L49-L51 PolarHBondContact O-N 3.46Å; L51-G54 PolarHBondContact O-N 2.92Å; L51-I55 WeakPolarHBondContact O-CB 3.5Å; L51-I55 WeakPolarHBondContact O-CD1 3.28Å; L51-I55 VanDerWaalsContact O-CG1 3.22Å; L51-I55 WeakPolarHBondContact O-CG1 3.42Å; L51-I55 PolarHBondContact O-N 3.01Å; L51-V241 HydrophobicContact CD2-CG2 4.23Å
52V84.8Confident86Confident75 Ų7546.6 Ų46.646%0.45525%0.254SS..Hα-helixtrans-62.4-49.5176.5173.20000111.1C48 L49 G54 I55 V56C48-V52 WeakPolarHBondContact O-CG2 3.27Å; C48-V52 PolarHBondContact O-N 3.45Å; C48-V52 VanDerWaalsContact O-N 3.16Å; L49-V52 PolarHBondContact O-N 2.96Å; V52-G54 VanDerWaalsContact C-N 3.34Å; V52-G54 PolarHBondContact O-N 2.76Å; V52-I55 PolarHBondContact O-N 3.48Å; V52-V56 WeakPolarHBondContact O-CG2 3.29Å; V52-V56 PolarHBondContact O-N 3.1Å
53I87.9Confident86.1Confident42 Ų4249.6 Ų49.622%0.21526%0.264CS..Hα-helixtrans-60.7-44.2178.2-67.5164.7000110.4L49 V56 A57 G80 I83L49-I53 WeakPolarHBondContact O-CB 3.45Å; L49-I53 VanDerWaalsContact O-CG1 3.24Å; L49-I53 WeakPolarHBondContact O-CG1 3.25Å; L49-I53 PolarHBondContact O-N 3.29Å; I53-V56 PolarHBondContact O-N 3.46Å; I53-A57 WeakPolarHBondContact O-CB 3.48Å; I53-A57 PolarHBondContact O-N 3.4Å; I53-G80 WeakPolarHBondContact CG2-O 3.49Å; I53-I83 HydrophobicContact CD1-CG2 4.31Å
54G82.8Confident86.2Confident35 Ų3554 Ų5436%0.36129%0.293SS..Hα-helixtrans-63.9-40.2178.500000113.5A50 L51 V52 S58A50-G54 PolarHBondContact O-N 3.33Å; L51-G54 PolarHBondContact O-N 2.92Å; V52-G54 VanDerWaalsContact C-N 3.34Å; V52-G54 PolarHBondContact O-N 2.76Å; G54-S58 VanDerWaalsContact O-CB 3.23Å; G54-S58 WeakPolarHBondContact O-CB 3.17Å; G54-S58 PolarHBondContact O-N 2.92Å
55I83.6Confident86.3Confident93 Ų9360.7 Ų60.748%0.47732%0.318SS..Hα-helixtrans-64.4-49.4174.6-71.4165.3000110.4L51 V52 S58 Q59L51-I55 WeakPolarHBondContact O-CB 3.5Å; L51-I55 WeakPolarHBondContact O-CD1 3.28Å; L51-I55 VanDerWaalsContact O-CG1 3.22Å; L51-I55 WeakPolarHBondContact O-CG1 3.42Å; L51-I55 PolarHBondContact O-N 3.01Å; V52-I55 PolarHBondContact O-N 3.48Å; I55-S58 PolarHBondContact O-N 3.41Å; I55-Q59 WeakPolarHBondContact O-CG 3.12Å; I55-Q59 PolarHBondContact O-N 3.4Å
56V88.8Confident86.4Confident71 Ų7160.8 Ų60.843%0.4332%0.323SS..Hα-helixtrans-61.7-46.7179.3171.80000110.8V52 I53 S58 Q59 I60V52-V56 WeakPolarHBondContact O-CG2 3.29Å; V52-V56 PolarHBondContact O-N 3.1Å; I53-V56 PolarHBondContact O-N 3.46Å; V56-S58 PolarHBondContact O-N 3.07Å; V56-Q59 PolarHBondContact O-N 3.49Å; V56-Q59 VanDerWaalsContact O-N 3.15Å; V56-I60 HydrophobicContact CG1-CD1 3.78Å; V56-I60 HydrophobicContact CG1-CG1 4.48Å; V56-I60 WeakPolarHBondContact O-CG1 3.29Å; V56-I60 PolarHBondContact O-N 3.09Å
57A88.5Confident86.6Confident7 Ų766.4 Ų66.46%0.05836%0.362CS..Hα-helixtrans-59.5-42.3176.100000112.6I53 Q59 I60 A61 A76I53-A57 WeakPolarHBondContact O-CB 3.48Å; I53-A57 PolarHBondContact O-N 3.4Å; A57-Q59 VanDerWaalsContact C-N 3.33Å; A57-Q59 PolarHBondContact O-N 3.24Å; A57-I60 PolarHBondContact O-N 2.87Å; A57-A61 VanDerWaalsContact O-CB 3.32Å; A57-A61 WeakPolarHBondContact O-CB 3.4Å; A57-A61 PolarHBondContact O-N 3.37Å; A57-A76 WeakPolarHBondContact CB-O 3.37Å
58S84.5Confident87Confident22 Ų2276.6 Ų76.615%0.15440%0.4CS..Hα-helixtrans-71.1-24.3176.6-172.10000113.6G54 I55 V56 K62G54-S58 VanDerWaalsContact O-CB 3.23Å; G54-S58 WeakPolarHBondContact O-CB 3.17Å; G54-S58 PolarHBondContact O-N 2.92Å; I55-S58 PolarHBondContact O-N 3.41Å; V56-S58 PolarHBondContact O-N 3.07Å; S58-K62 VanDerWaalsContact O-CD 3.3Å; S58-K62 WeakPolarHBondContact O-CD 3.49Å; S58-K62 WeakPolarHBondContact O-CE 3.23Å; S58-K62 WeakPolarHBondContact O-CG 3.42Å; S58-K62 PolarHBondContact O-NZ 3.37Å
59Q88.5Confident87.3Confident112 Ų11278.4 Ų78.452%0.52341%0.409SS..Hα-helixtrans-74.7-46.8170.4-72.4176.212.900111I55 V56 A57 A61 K62I55-Q59 WeakPolarHBondContact O-CG 3.12Å; I55-Q59 PolarHBondContact O-N 3.4Å; V56-Q59 PolarHBondContact O-N 3.49Å; V56-Q59 VanDerWaalsContact O-N 3.15Å; A57-Q59 VanDerWaalsContact C-N 3.33Å; A57-Q59 PolarHBondContact O-N 3.24Å; Q59-A61 VanDerWaalsContact C-N 3.31Å; Q59-A61 PolarHBondContact O-N 3.02Å; Q59-K62 PolarHBondContact O-N 3.04Å
60I90.4Very high87.5Confident41 Ų4179.3 Ų79.321%0.2142%0.417CS..Hα-helixtrans-60.3-41.5176.3-65.9167.3000110.7V56 A57 K62 W63 W73 A76V56-I60 HydrophobicContact CG1-CD1 3.78Å; V56-I60 HydrophobicContact CG1-CG1 4.48Å; V56-I60 WeakPolarHBondContact O-CG1 3.29Å; V56-I60 PolarHBondContact O-N 3.09Å; A57-I60 PolarHBondContact O-N 2.87Å; I60-K62 PolarHBondContact O-N 3.47Å; I60-W63 HydrophobicContact CB-CD2 4.49Å; I60-W63 HydrophobicContact CG1-CH2 3.96Å; I60-W63 HydrophobicContact CG1-CZ2 3.89Å; I60-W63 HydrophobicContact CG1-CZ3 4.33Å; I60-W63 HydrophobicContact CG2-CD2 4.27Å; I60-W63 HydrophobicContact CG2-CE3 3.91Å; I60-W63 HydrophobicContact CG2-CH2 4.5Å; I60-W63 HydrophobicContact CG2-CZ3 4.03Å; I60-W63 VanDerWaalsContact O-CB 3.3Å; I60-W63 WeakPolarHBondContact O-CB 3.31Å; I60-W63 PolarHBondContact O-N 3.41Å; I60-W73 HydrophobicContact CG2-CB 4.25Å; I60-W73 HydrophobicContact CG2-CD2 4.05Å; I60-W73 HydrophobicContact CG2-CE3 3.57Å; I60-W73 HydrophobicContact CG2-CG 4.38Å; I60-W73 HydrophobicContact CG2-CZ3 4.22Å; I60-W73 WeakPolarHBondContact O-CB 3.5Å; I60-A76 HydrophobicContact CB-CB 4.1Å; I60-A76 HydrophobicContact CG2-CB 3.62Å
61A87.2Confident87.6Confident17 Ų1783.9 Ų83.914%0.1443%0.433CS..THydrogen-bonded Turntrans-60.6-16.8179.200000114.7A57 Q59 W73 A76 E77A57-A61 VanDerWaalsContact O-CB 3.32Å; A57-A61 WeakPolarHBondContact O-CB 3.4Å; A57-A61 PolarHBondContact O-N 3.37Å; Q59-A61 VanDerWaalsContact C-N 3.31Å; Q59-A61 PolarHBondContact O-N 3.02Å; A61-W73 WeakPolarHBondContact CA-O 3.46Å; A61-A76 HydrophobicContact CB-CB 4.43Å; A61-E77 HydrophobicContact CB-CB 4.4Å
62K87.1Confident88.1Confident153 Ų15382.2 Ų82.267%0.66543%0.429SS*.THydrogen-bonded Turntrans-92.3-5176.5-64.6162.7-169152.10113.6S58 Q59 I60S58-K62 VanDerWaalsContact O-CD 3.3Å; S58-K62 WeakPolarHBondContact O-CD 3.49Å; S58-K62 WeakPolarHBondContact O-CE 3.23Å; S58-K62 WeakPolarHBondContact O-CG 3.42Å; S58-K62 PolarHBondContact O-NZ 3.37Å; Q59-K62 PolarHBondContact O-N 3.04Å; I60-K62 PolarHBondContact O-N 3.47Å
63W91.1Very high88.4Confident135 Ų13583.3 Ų83.351%0.51143%0.425SS..SBendtrans-63143.7177.6-69.7-5.5000111.1I60 W73I60-W63 HydrophobicContact CB-CD2 4.49Å; I60-W63 HydrophobicContact CG1-CH2 3.96Å; I60-W63 HydrophobicContact CG1-CZ2 3.89Å; I60-W63 HydrophobicContact CG1-CZ3 4.33Å; I60-W63 HydrophobicContact CG2-CD2 4.27Å; I60-W63 HydrophobicContact CG2-CE3 3.91Å; I60-W63 HydrophobicContact CG2-CH2 4.5Å; I60-W63 HydrophobicContact CG2-CZ3 4.03Å; I60-W63 VanDerWaalsContact O-CB 3.3Å; I60-W63 WeakPolarHBondContact O-CB 3.31Å; I60-W63 PolarHBondContact O-N 3.41Å; W63-W73 HydrophobicContact CB-CB 4.37Å; W63-W73 HydrophobicContact CB-CG 4.05Å; W63-W73 AromaticContact CE3-CD2 3.95Å; W63-W73 HydrophobicContact CE3-CD2 3.95Å; W63-W73 AromaticContact CE3-CE2 3.74Å; W63-W73 HydrophobicContact CE3-CE3 4.46Å; W63-W73 HydrophobicContact CE3-CG 4.26Å; W63-W73 HydrophobicContact CE3-CZ2 4.07Å; W63-W73 AromaticContact CE3-NE1 3.94Å; W63-W73 HydrophobicContact CZ3-CH2 4.34Å; W63-W73 HydrophobicContact CZ3-CZ2 4.18Å
64P89.4Confident88.4Confident101 Ų10184 Ų8466%0.65643%0.428SS*.PPolyproline II helixtrans-61.9162.2-177.126.8-35.4000112
65R89.3Confident88.8Confident141 Ų14186.5 Ų86.553%0.53243%0.426SS..PPolyproline II helixtrans-60.6148.5170.7-64.6175179.1132.2-2.4109.7T70R65-T70 VanDerWaalsContact CD-O 3.26Å; R65-T70 WeakPolarHBondContact CD-O 3.46Å; R65-T70 WeakPolarHBondContact CG-O 3.44Å
66S89.3Confident89.2Confident55 Ų5583 Ų8339%0.38541%0.411SS..  trans-131.3157.7176.2176.20000108.7R68 N69 T70S66-R68 PolarHBondContact O-N 3.03Å; S66-R68 VanDerWaalsContact O-N 3.12Å; S66-N69 PolarHBondContact N-O 3.31Å; S66-N69 CarbonylContact O-C 3.04Å; S66-N69 PolarHBondContact O-N 3.43Å; S66-N69 VanDerWaalsContact O-O 3.12Å; S66-T70 PolarHBondContact O-N 3.34Å
67S89.4Confident89.1Confident117 Ų11781.6 Ų81.682%0.81840%0.4SS*.SBendtrans-55.6-27.8172.953.90000112.9
68R90.2Very high89.2Confident226 Ų22681.4 Ų81.485%0.85340%0.398SS*.SBendtrans-80.9-29.5173.2-63.4-17967.71571.4113.8S66S66-R68 PolarHBondContact O-N 3.03Å; S66-R68 VanDerWaalsContact O-N 3.12Å
69N90.3Very high89.5Confident57 Ų5784.6 Ų84.631%0.30541%0.411SS..  trans-127.977-175.1-69.4-11.6000109.4S66 F71 G72 W73S66-N69 PolarHBondContact N-O 3.31Å; S66-N69 CarbonylContact O-C 3.04Å; S66-N69 PolarHBondContact O-N 3.43Å; S66-N69 VanDerWaalsContact O-O 3.12Å; N69-F71 PolarHBondContact O-N 3.14Å; N69-G72 WeakPolarHBondContact O-CA 3.33Å; N69-G72 PolarHBondContact O-N 2.88Å; N69-W73 WeakPolarHBondContact ND2-CZ2 3.34Å
70T90.1Very high89.6Confident94 Ų9479.6 Ų79.658%0.57739%0.389SS*.THydrogen-bonded Turntrans-65.2-37-172.252.30000113.4R65 S66 G72R65-T70 VanDerWaalsContact CD-O 3.26Å; R65-T70 WeakPolarHBondContact CD-O 3.46Å; R65-T70 WeakPolarHBondContact CG-O 3.44Å; S66-T70 PolarHBondContact O-N 3.34Å; T70-G72 PolarHBondContact O-N 3.05Å
71F86.5Confident89.4Confident115 Ų11579 Ų7950%0.50439%0.389SS..THydrogen-bonded Turntrans-75.4-3.2171.2-69.9-75.2000113.8N69 L341 I347N69-F71 PolarHBondContact O-N 3.14Å; F71-L341 HydrophobicContact CB-CD2 4.24Å; F71-L341 HydrophobicContact CD1-CD2 4.26Å; F71-I347 HydrophobicContact CD1-CD1 4.07Å; F71-I347 HydrophobicContact CE1-CD1 3.66Å; F71-I347 HydrophobicContact CZ-CD1 4.21Å
72G91.4Very high89.6Confident18 Ų1879.8 Ų79.819%0.18639%0.391CS..  trans74.9-166.7-172.200000112.8N69 T70 Q74N69-G72 WeakPolarHBondContact O-CA 3.33Å; N69-G72 PolarHBondContact O-N 2.88Å; T70-G72 PolarHBondContact O-N 3.05Å; G72-Q74 PolarHBondContact O-N 3.17Å
73W91.1Very high89.8Confident98 Ų9876.2 Ų76.237%0.37138%0.378SS..SBendtrans-92.814.3-171.8-73.188.4000114.6I60 A61 W63 N69 R75 A76I60-W73 HydrophobicContact CG2-CB 4.25Å; I60-W73 HydrophobicContact CG2-CD2 4.05Å; I60-W73 HydrophobicContact CG2-CE3 3.57Å; I60-W73 HydrophobicContact CG2-CG 4.38Å; I60-W73 HydrophobicContact CG2-CZ3 4.22Å; I60-W73 WeakPolarHBondContact O-CB 3.5Å; A61-W73 WeakPolarHBondContact CA-O 3.46Å; W63-W73 HydrophobicContact CB-CB 4.37Å; W63-W73 HydrophobicContact CB-CG 4.05Å; W63-W73 AromaticContact CE3-CD2 3.95Å; W63-W73 HydrophobicContact CE3-CD2 3.95Å; W63-W73 AromaticContact CE3-CE2 3.74Å; W63-W73 HydrophobicContact CE3-CE3 4.46Å; W63-W73 HydrophobicContact CE3-CG 4.26Å; W63-W73 HydrophobicContact CE3-CZ2 4.07Å; W63-W73 AromaticContact CE3-NE1 3.94Å; W63-W73 HydrophobicContact CZ3-CH2 4.34Å; W63-W73 HydrophobicContact CZ3-CZ2 4.18Å; N69-W73 WeakPolarHBondContact ND2-CZ2 3.34Å; W73-R75 PolarHBondContact O-N 3.49Å; W73-A76 WeakPolarHBondContact O-CB 3.23Å; W73-A76 PolarHBondContact O-N 3.21Å
74Q87.8Confident89.7Confident56 Ų5670.9 Ų70.926%0.26236%0.359SS..THydrogen-bonded Turntrans-54.4-33-172.9-64.7-175.3-200114.4G72 A76 E77 L341 Q342G72-Q74 PolarHBondContact O-N 3.17Å; Q74-A76 PolarHBondContact O-N 3.1Å; Q74-E77 PolarHBondContact O-N 2.74Å; Q74-L341 VanDerWaalsContact OE1-CD2 3.31Å; Q74-Q342 HydrophobicContact CB-CG 4.26Å
75R91.1Very high89.7Confident88 Ų8866.1 Ų66.133%0.33233%0.329SS..Hα-helixtrans-65.2-14.9175.3-74.7-176.4172.6170.31.4114.1W73 E77 V78 M79 L341W73-R75 PolarHBondContact O-N 3.49Å; R75-E77 VanDerWaalsContact C-N 3.3Å; R75-E77 PolarHBondContact O-N 2.78Å; R75-V78 PolarHBondContact O-N 3.33Å; R75-M79 PolarHBondContact O-N 3.31Å; R75-L341 HydrophobicContact CG-CD1 3.81Å
76A91.2Very high89.8Confident18 Ų1862.8 Ų62.815%0.14932%0.324CS..Hα-helixtrans-62.1-35.1178.200000112.6A57 I60 A61 W73 Q74 V78 M79 G80A57-A76 WeakPolarHBondContact CB-O 3.37Å; I60-A76 HydrophobicContact CB-CB 4.1Å; I60-A76 HydrophobicContact CG2-CB 3.62Å; A61-A76 HydrophobicContact CB-CB 4.43Å; W73-A76 WeakPolarHBondContact O-CB 3.23Å; W73-A76 PolarHBondContact O-N 3.21Å; Q74-A76 PolarHBondContact O-N 3.1Å; A76-V78 VanDerWaalsContact C-N 3.34Å; A76-V78 PolarHBondContact O-N 3.43Å; A76-M79 PolarHBondContact O-N 3.31Å; A76-G80 PolarHBondContact O-N 3.05Å
77E87.1Confident89.9Confident43 Ų4362.4 Ų62.420%0.20132%0.319CS..Hα-helixtrans-59.3-45.5174.6-175.8177.8123.100111.3A61 Q74 R75 G80 S81 S343A61-E77 HydrophobicContact CB-CB 4.4Å; Q74-E77 PolarHBondContact O-N 2.74Å; R75-E77 VanDerWaalsContact C-N 3.3Å; R75-E77 PolarHBondContact O-N 2.78Å; E77-G80 PolarHBondContact O-N 2.59Å; E77-S81 PolarHBondContact O-N 3.42Å; E77-S81 VanDerWaalsContact O-N 3.12Å; E77-S343 PolarHBondContact OE1-OG 3.21Å
78V90.3Very high89.9Confident3 Ų357.7 Ų57.72%0.01828%0.284CS..Hα-helixtrans-68.6-39.8178-172.70000111.3R75 A76 S81 L82 A303 I306 L307 Q342R75-V78 PolarHBondContact O-N 3.33Å; A76-V78 VanDerWaalsContact C-N 3.34Å; A76-V78 PolarHBondContact O-N 3.43Å; V78-S81 PolarHBondContact O-N 2.67Å; V78-S81 PolarHBondContact O-OG 2.94Å; V78-L82 PolarHBondContact O-N 3.07Å; V78-A303 HydrophobicContact CG1-CB 4.27Å; V78-A303 WeakPolarHBondContact CG1-O 3.5Å; V78-I306 HydrophobicContact CB-CG2 4.48Å; V78-I306 HydrophobicContact CG1-CB 3.94Å; V78-I306 HydrophobicContact CG1-CD1 4.48Å; V78-I306 HydrophobicContact CG1-CG2 3.93Å; V78-I306 HydrophobicContact CG2-CG2 3.88Å; V78-L307 HydrophobicContact CB-CD2 4.38Å; V78-L307 HydrophobicContact CG1-CD2 4.04Å; V78-L307 HydrophobicContact CG1-CG 3.93Å; V78-Q342 HydrophobicContact CG2-CB 4.48Å
79M91.5Very high89.9Confident89 Ų8948.3 Ų48.344%0.43825%0.251SS..Hα-helixtrans-65.8-40.8176.9-169.964.5-169.700111.6R75 A76 S81 L82 I83 L307R75-M79 PolarHBondContact O-N 3.31Å; A76-M79 PolarHBondContact O-N 3.31Å; M79-S81 PolarHBondContact O-N 3.03Å; M79-L82 PolarHBondContact O-N 3.09Å; M79-I83 HydrophobicContact CE-CD1 4.05Å; M79-I83 HydrophobicContact CE-CG1 4.01Å; M79-I83 HydrophobicContact CG-CD1 4.01Å; M79-I83 HydrophobicContact CG-CG1 4.49Å; M79-I83 VanDerWaalsContact O-CG1 3.3Å; M79-I83 WeakPolarHBondContact O-CG1 3.4Å; M79-I83 PolarHBondContact O-N 3.31Å; M79-L307 HydrophobicContact SD-CD1 4.13Å
80G90.3Very high90.1Very high6 Ų649.5 Ų49.56%0.06226%0.26CS..Hα-helixtrans-60.9-42.5174.800000112.4I53 A76 E77 I83 N84I53-G80 WeakPolarHBondContact CG2-O 3.49Å; A76-G80 PolarHBondContact O-N 3.05Å; E77-G80 PolarHBondContact O-N 2.59Å; G80-I83 PolarHBondContact O-N 3.3Å; G80-N84 WeakPolarHBondContact O-CB 3.33Å; G80-N84 PolarHBondContact O-N 3Å
81S86Confident90.1Very high30 Ų3047 Ų4721%0.2124%0.243CC..Hα-helixtrans-66.4-36.717672.60000112.6E77 V78 M79 T85E77-S81 PolarHBondContact O-N 3.42Å; E77-S81 VanDerWaalsContact O-N 3.12Å; V78-S81 PolarHBondContact O-N 2.67Å; V78-S81 PolarHBondContact O-OG 2.94Å; M79-S81 PolarHBondContact O-N 3.03Å; S81-T85 PolarHBondContact O-N 3.23Å; S81-T85 PolarHBondContact O-OG1 2.88Å
82L91.5Very high90.4Very high32 Ų3241.6 Ų41.617%0.16822%0.22CC..Hα-helixtrans-66.2-48.3174.1-179.161.2000112.1V78 M79 N84 T85 V86 M300 A303 L307V78-L82 PolarHBondContact O-N 3.07Å; M79-L82 PolarHBondContact O-N 3.09Å; L82-N84 VanDerWaalsContact C-N 3.29Å; L82-N84 PolarHBondContact O-N 3.35Å; L82-T85 PolarHBondContact O-N 3.12Å; L82-T85 VanDerWaalsContact O-N 3.14Å; L82-V86 HydrophobicContact CD1-CG2 4.17Å; L82-V86 HydrophobicContact CG-CG2 4.46Å; L82-V86 WeakPolarHBondContact O-CG2 3.12Å; L82-V86 PolarHBondContact O-N 3.16Å; L82-M300 HydrophobicContact CD1-CG 3.88Å; L82-A303 HydrophobicContact CB-CB 4.3Å; L82-L307 HydrophobicContact CB-CD1 4.46Å; L82-L307 HydrophobicContact CD2-CD1 3.52Å
83I91.7Very high90.4Very high78 Ų7844.8 Ų44.840%0.423%0.231SC..Hα-helixtrans-55.9-47.9177.3-68.6165.7000109.9I53 M79 G80 T85 V86 V87I53-I83 HydrophobicContact CD1-CG2 4.31Å; M79-I83 HydrophobicContact CE-CD1 4.05Å; M79-I83 HydrophobicContact CE-CG1 4.01Å; M79-I83 HydrophobicContact CG-CD1 4.01Å; M79-I83 HydrophobicContact CG-CG1 4.49Å; M79-I83 VanDerWaalsContact O-CG1 3.3Å; M79-I83 WeakPolarHBondContact O-CG1 3.4Å; M79-I83 PolarHBondContact O-N 3.31Å; G80-I83 PolarHBondContact O-N 3.3Å; I83-T85 PolarHBondContact O-N 3.11Å; I83-V86 PolarHBondContact O-N 2.96Å; I83-V87 WeakPolarHBondContact O-CG2 3.32Å; I83-V87 PolarHBondContact O-N 2.98Å
84N88.1Confident90.5Very high23 Ų2343.7 Ų43.712%0.12324%0.235CC..Hα-helixtrans-56.8-49176.1-179.354000112.4A50 G80 L82 V86 V87 L88A50-N84 WeakPolarHBondContact CA-OD1 3.35Å; A50-N84 WeakPolarHBondContact CB-ND2 3.31Å; A50-N84 WeakPolarHBondContact CB-OD1 3.44Å; G80-N84 WeakPolarHBondContact O-CB 3.33Å; G80-N84 PolarHBondContact O-N 3Å; L82-N84 VanDerWaalsContact C-N 3.29Å; L82-N84 PolarHBondContact O-N 3.35Å; N84-V86 VanDerWaalsContact C-N 3.28Å; N84-V86 PolarHBondContact O-N 3.36Å; N84-V87 PolarHBondContact O-N 3.05Å; N84-V87 VanDerWaalsContact O-N 3.15Å; N84-L88 PolarHBondContact O-N 3.09Å
85T89Confident90.7Very high1 Ų141.8 Ų41.81%0.00623%0.227CC..Hα-helixtrans-66.3-32.2-176.6-44.70000112S81 L82 I83 I89 A296 M300S81-T85 PolarHBondContact O-N 3.23Å; S81-T85 PolarHBondContact O-OG1 2.88Å; L82-T85 PolarHBondContact O-N 3.12Å; L82-T85 VanDerWaalsContact O-N 3.14Å; I83-T85 PolarHBondContact O-N 3.11Å; T85-I89 HydrophobicContact CG2-CD1 4.1Å; T85-I89 WeakPolarHBondContact O-CB 3.35Å; T85-I89 VanDerWaalsContact O-CG1 3.28Å; T85-I89 WeakPolarHBondContact O-CG1 3.42Å; T85-I89 PolarHBondContact O-N 3.07Å; T85-A296 HydrophobicContact CG2-CB 4.14Å; T85-A296 WeakPolarHBondContact CG2-O 3.48Å; T85-M300 HydrophobicContact CG2-CB 3.67Å; T85-M300 HydrophobicContact CG2-CG 4.4Å
86V92.5Very high90.8Very high72 Ų7239.5 Ų39.544%0.43622%0.221SC..Hα-helixtrans-67.9-39.8173171.40000111.9L82 I83 N84 T90L82-V86 HydrophobicContact CD1-CG2 4.17Å; L82-V86 HydrophobicContact CG-CG2 4.46Å; L82-V86 WeakPolarHBondContact O-CG2 3.12Å; L82-V86 PolarHBondContact O-N 3.16Å; I83-V86 PolarHBondContact O-N 2.96Å; N84-V86 VanDerWaalsContact C-N 3.28Å; N84-V86 PolarHBondContact O-N 3.36Å; V86-T90 WeakPolarHBondContact O-CB 3.19Å; V86-T90 PolarHBondContact O-N 2.92Å; V86-T90 PolarHBondContact O-OG1 3.07Å
87V90.3Very high91Very high46 Ų4644.3 Ų44.328%0.27924%0.243SC..Hα-helixtrans-63.1-48.5174171.40000110.4I83 N84 I89 T90 L91I83-V87 WeakPolarHBondContact O-CG2 3.32Å; I83-V87 PolarHBondContact O-N 2.98Å; N84-V87 PolarHBondContact O-N 3.05Å; N84-V87 VanDerWaalsContact O-N 3.15Å; V87-I89 PolarHBondContact O-N 3.25Å; V87-T90 WeakPolarHBondContact O-CB 3.27Å; V87-T90 PolarHBondContact O-N 2.86Å; V87-T90 VanDerWaalsContact O-N 3.15Å; V87-L91 HydrophobicContact CG1-CD1 4.07Å; V87-L91 WeakPolarHBondContact O-CG 3.23Å; V87-L91 PolarHBondContact O-N 3.44Å
88L89.5Confident91.3Very high18 Ų1848.8 Ų48.89%0.09426%0.258CS..Hα-helixtrans-58.1-46.7178.3-178.964000112.1S46 N84 T90 L91 C92 I292 A296S46-L88 WeakPolarHBondContact OG-CD1 3.18Å; N84-L88 PolarHBondContact O-N 3.09Å; L88-T90 VanDerWaalsContact C-N 3.34Å; L88-T90 PolarHBondContact O-N 2.75Å; L88-L91 PolarHBondContact O-N 3.25Å; L88-C92 WeakPolarHBondContact O-CB 3.26Å; L88-C92 PolarHBondContact O-N 3.49Å; L88-C92 PolarHBondContact O-SG 2.75Å; L88-I292 HydrophobicContact CD1-CG2 3.86Å; L88-I292 HydrophobicContact CD2-CG2 4.05Å; L88-I292 HydrophobicContact CG-CG2 4.03Å; L88-A296 HydrophobicContact CD2-CB 3.85Å
89I91.5Very high91.4Very high29 Ų2948.7 Ų48.715%0.14926%0.258CS..Hα-helixtrans-64.2-39.3177.1-70.6168.7000111.2T85 V87 C92 M93 L293 A296 M300T85-I89 HydrophobicContact CG2-CD1 4.1Å; T85-I89 WeakPolarHBondContact O-CB 3.35Å; T85-I89 VanDerWaalsContact O-CG1 3.28Å; T85-I89 WeakPolarHBondContact O-CG1 3.42Å; T85-I89 PolarHBondContact O-N 3.07Å; V87-I89 PolarHBondContact O-N 3.25Å; I89-C92 WeakPolarHBondContact O-CB 3.44Å; I89-C92 PolarHBondContact O-N 3.19Å; I89-M93 HydrophobicContact CG2-CE 4.46Å; I89-M93 HydrophobicContact CG2-CG 4.44Å; I89-M93 VanDerWaalsContact O-CG 3.3Å; I89-M93 WeakPolarHBondContact O-CG 3.42Å; I89-M93 PolarHBondContact O-N 3.48Å; I89-L293 HydrophobicContact CG1-CD2 4.1Å; I89-L293 HydrophobicContact CG2-CD2 4.43Å; I89-A296 HydrophobicContact CG1-CB 4.34Å; I89-M300 HydrophobicContact CD1-CE 3.83Å; I89-M300 HydrophobicContact CD1-SD 3.59Å; I89-M300 VanDerWaalsContact CD1-SD 3.59Å
90T92.9Very high91.5Very high82 Ų8248.1 Ų48.150%0.50326%0.256SS..Hα-helixtrans-62.1-42.7176.1-57.40000112.1V86 V87 L88 M93 T94V86-T90 WeakPolarHBondContact O-CB 3.19Å; V86-T90 PolarHBondContact O-N 2.92Å; V86-T90 PolarHBondContact O-OG1 3.07Å; V87-T90 WeakPolarHBondContact O-CB 3.27Å; V87-T90 PolarHBondContact O-N 2.86Å; V87-T90 VanDerWaalsContact O-N 3.15Å; L88-T90 VanDerWaalsContact C-N 3.34Å; L88-T90 PolarHBondContact O-N 2.75Å; T90-M93 PolarHBondContact O-N 3.07Å; T90-T94 PolarHBondContact O-N 3.38Å; T90-T94 VanDerWaalsContact O-N 3.07Å; T90-T94 PolarHBondContact O-OG1 3.15Å
91L90.9Very high91.7Very high41 Ų4152.1 Ų52.122%0.21527%0.273CS..Hα-helixtrans-67-43.8175.3-69.7172.6000111.5V87 L88 M93 T94 I95V87-L91 HydrophobicContact CG1-CD1 4.07Å; V87-L91 WeakPolarHBondContact O-CG 3.23Å; V87-L91 PolarHBondContact O-N 3.44Å; L88-L91 PolarHBondContact O-N 3.25Å; L91-M93 VanDerWaalsContact C-N 3.34Å; L91-M93 PolarHBondContact O-N 2.92Å; L91-T94 WeakPolarHBondContact O-CB 3.41Å; L91-T94 PolarHBondContact O-N 2.88Å; L91-I95 WeakPolarHBondContact O-CG1 3.44Å; L91-I95 PolarHBondContact O-N 3.47Å
92C91.7Very high92Very high2 Ų251.4 Ų51.41%0.01427%0.266CS..Hα-helixtrans-55-46.5173.9-73.90000112.3L88 I89 T94 I95 L96 V289 I292 L293L88-C92 WeakPolarHBondContact O-CB 3.26Å; L88-C92 PolarHBondContact O-N 3.49Å; L88-C92 PolarHBondContact O-SG 2.75Å; I89-C92 WeakPolarHBondContact O-CB 3.44Å; I89-C92 PolarHBondContact O-N 3.19Å; C92-T94 VanDerWaalsContact C-N 3.31Å; C92-T94 PolarHBondContact O-N 3.33Å; C92-I95 PolarHBondContact O-N 3Å; C92-L96 VanDerWaalsContact O-CB 3.31Å; C92-L96 WeakPolarHBondContact O-CB 3.44Å; C92-L96 PolarHBondContact O-N 3.42Å; C92-V289 HydrophobicContact CB-CG1 3.87Å; C92-I292 WeakPolarHBondContact SG-CG2 3.3Å; C92-L293 HydrophobicContact CB-CD2 3.76Å; C92-L293 HydrophobicContact CB-CG 4.06Å
93M92.9Very high92.1Very high86 Ų8653.3 Ų53.342%0.42427%0.273SS..Hα-helixtrans-65-35.1176.8-67.8-63.416500112.2I89 T90 L91 L96 L97 L293I89-M93 HydrophobicContact CG2-CE 4.46Å; I89-M93 HydrophobicContact CG2-CG 4.44Å; I89-M93 VanDerWaalsContact O-CG 3.3Å; I89-M93 WeakPolarHBondContact O-CG 3.42Å; I89-M93 PolarHBondContact O-N 3.48Å; T90-M93 PolarHBondContact O-N 3.07Å; L91-M93 VanDerWaalsContact C-N 3.34Å; L91-M93 PolarHBondContact O-N 2.92Å; M93-L96 PolarHBondContact O-N 3.35Å; M93-L96 HydrophobicContact SD-CD2 4.17Å; M93-L97 VanDerWaalsContact O-CG 3.29Å; M93-L97 WeakPolarHBondContact O-CG 3.2Å; M93-L97 PolarHBondContact O-N 2.89Å; M93-L293 HydrophobicContact CE-CD1 4.08Å; M93-L293 HydrophobicContact CE-CD2 4.34Å
94T93.1Very high92.1Very high75 Ų7556.1 Ų56.146%0.4629%0.287SS..Hα-helixtrans-65.1-47.1175.4-56.10000111.3T90 L91 C92 L97 R98T90-T94 PolarHBondContact O-N 3.38Å; T90-T94 VanDerWaalsContact O-N 3.07Å; T90-T94 PolarHBondContact O-OG1 3.15Å; L91-T94 WeakPolarHBondContact O-CB 3.41Å; L91-T94 PolarHBondContact O-N 2.88Å; C92-T94 VanDerWaalsContact C-N 3.31Å; C92-T94 PolarHBondContact O-N 3.33Å; T94-L97 PolarHBondContact O-N 3.3Å; T94-R98 WeakPolarHBondContact O-CG 3.37Å; T94-R98 PolarHBondContact O-N 3.2Å; T94-R98 VanDerWaalsContact O-N 3.09Å
95I91.5Very high92.3Very high15 Ų1561.4 Ų61.48%0.07731%0.311CS..Hα-helixtrans-64.1-41.6176.9-63.4163.3000110.7A39 F42 L91 C92 L97 R98 A99 V289A39-I95 HydrophobicContact CB-CD1 4.18Å; A39-I95 HydrophobicContact CB-CG1 4.49Å; A39-I95 HydrophobicContact CB-CG2 3.57Å; F42-I95 HydrophobicContact CB-CD1 4.11Å; L91-I95 WeakPolarHBondContact O-CG1 3.44Å; L91-I95 PolarHBondContact O-N 3.47Å; C92-I95 PolarHBondContact O-N 3Å; I95-L97 PolarHBondContact O-N 2.93Å; I95-R98 PolarHBondContact O-N 3.48Å; I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 3.26Å; I95-V289 HydrophobicContact CB-CG2 3.84Å; I95-V289 HydrophobicContact CG2-CG2 3.49Å; I95-V289 VanDerWaalsContact CG2-CG2 3.49Å
96L94Very high92.2Very high41 Ų4163.8 Ų63.822%0.21533%0.325CS..Hα-helixtrans-58.9-46.8176.4-179.559000111.8C92 M93 R98 A99 I100 I286 V289C92-L96 VanDerWaalsContact O-CB 3.31Å; C92-L96 WeakPolarHBondContact O-CB 3.44Å; C92-L96 PolarHBondContact O-N 3.42Å; M93-L96 PolarHBondContact O-N 3.35Å; M93-L96 HydrophobicContact SD-CD2 4.17Å; L96-R98 VanDerWaalsContact C-N 3.35Å; L96-R98 PolarHBondContact O-N 3.38Å; L96-A99 PolarHBondContact O-N 2.96Å; L96-I100 HydrophobicContact CD1-CD1 4.06Å; L96-I100 HydrophobicContact CD1-CG1 4.45Å; L96-I100 HydrophobicContact CG-CD1 3.97Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 3.4Å; L96-I286 HydrophobicContact CD1-CD1 4.39Å; L96-I286 HydrophobicContact CD1-CG1 4.01Å; L96-I286 HydrophobicContact CD1-CG2 4.41Å; L96-V289 HydrophobicContact CB-CG1 4.25Å
97L94.8Very high91.9Very high118 Ų11864.7 Ų64.762%0.61833%0.325SS*.Hα-helixtrans-62.8-40.1176.9-70.7171.4000111.9M93 T94 I95 I100 E101M93-L97 VanDerWaalsContact O-CG 3.29Å; M93-L97 WeakPolarHBondContact O-CG 3.2Å; M93-L97 PolarHBondContact O-N 2.89Å; T94-L97 PolarHBondContact O-N 3.3Å; I95-L97 PolarHBondContact O-N 2.93Å; L97-I100 PolarHBondContact O-N 3Å; L97-E101 WeakPolarHBondContact O-CB 3.48Å; L97-E101 PolarHBondContact O-N 3.06Å
98R93Very high91.8Very high138 Ų13865.1 Ų65.152%0.52133%0.333SS..Hα-helixtrans-64.3-40.2174-70.6-57.7-163.1172.24.5113I35 T94 I95 L96 E101 R102I35-R98 HydrophobicContact CD1-CB 4.47Å; I35-R98 WeakPolarHBondContact CD1-O 3.3Å; I35-R98 HydrophobicContact CG2-CB 4.47Å; T94-R98 WeakPolarHBondContact O-CG 3.37Å; T94-R98 PolarHBondContact O-N 3.2Å; T94-R98 VanDerWaalsContact O-N 3.09Å; I95-R98 PolarHBondContact O-N 3.48Å; L96-R98 VanDerWaalsContact C-N 3.35Å; L96-R98 PolarHBondContact O-N 3.38Å; R98-E101 WeakPolarHBondContact CD-OE2 3.24Å; R98-E101 IonicContact CZ-OE2 2.87Å; R98-E101 IonicContact NE-OE2 3.91Å; R98-E101 IonicContact NH1-OE1 3.59Å; R98-E101 IonicContact NH1-OE2 3.85Å; R98-E101 PolarHBondContact NH1-OE2 3.33Å; R98-E101 PolarHBondContact O-N 3.42Å; R98-R102 WeakPolarHBondContact O-CB 3.5Å; R98-R102 PolarHBondContact O-N 3.03Å
99A92.9Very high91.7Very high0 Ų065.7 Ų65.70%034%0.336CS..Hα-helixtrans-65.3-40.2175.800000111.4I95 L96 R102 F103 P282 I286I95-A99 WeakPolarHBondContact O-CB 3.47Å; I95-A99 PolarHBondContact O-N 3.26Å; L96-A99 PolarHBondContact O-N 2.96Å; A99-R102 PolarHBondContact O-N 3.5Å; A99-F103 VanDerWaalsContact O-CD2 3.29Å; A99-F103 WeakPolarHBondContact O-CD2 3.4Å; A99-F103 PolarHBondContact O-N 3.02Å; A99-F103 VanDerWaalsContact O-N 3.15Å; A99-P282 HydrophobicContact CB-CB 4.36Å; A99-P282 WeakPolarHBondContact O-CB 3.4Å; A99-I286 HydrophobicContact CB-CD1 4.37Å; A99-I286 HydrophobicContact CB-CG1 3.73Å
100I94.3Very high91.2Very high77 Ų7769.7 Ų69.740%0.39535%0.354SS..Hα-helixtrans-65.9-44.3175.2-67.2164.5000111.6L96 L97 R102 F103 I286L96-I100 HydrophobicContact CD1-CD1 4.06Å; L96-I100 HydrophobicContact CD1-CG1 4.45Å; L96-I100 HydrophobicContact CG-CD1 3.97Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.28Å; L96-I100 PolarHBondContact O-N 3.4Å; L97-I100 PolarHBondContact O-N 3Å; I100-R102 PolarHBondContact O-N 2.72Å; I100-F103 WeakPolarHBondContact O-CB 3.27Å; I100-F103 PolarHBondContact O-N 3.31Å; I100-F103 VanDerWaalsContact O-N 3.1Å; I100-I286 HydrophobicContact CG1-CD1 4.41Å
101E94.3Very high90.9Very high91 Ų9169.2 Ų69.243%0.42535%0.354SS..Hα-helixtrans-53.4-44.5173.1-177.8-180-149.300110.7L97 R98 F103 I104 E105L97-E101 WeakPolarHBondContact O-CB 3.48Å; L97-E101 PolarHBondContact O-N 3.06Å; R98-E101 WeakPolarHBondContact CD-OE2 3.24Å; R98-E101 IonicContact CZ-OE2 2.87Å; R98-E101 IonicContact NE-OE2 3.91Å; R98-E101 IonicContact NH1-OE1 3.59Å; R98-E101 IonicContact NH1-OE2 3.85Å; R98-E101 PolarHBondContact NH1-OE2 3.33Å; R98-E101 PolarHBondContact O-N 3.42Å; E101-F103 VanDerWaalsContact C-N 3.33Å; E101-F103 PolarHBondContact O-N 2.83Å; E101-I104 PolarHBondContact O-N 3.06Å; E101-E105 PolarHBondContact O-N 3.38Å
102R91.7Very high90.8Very high15 Ų1569 Ų696%0.05736%0.355CS..Hα-helixtrans-70.5-19178.6-171.957.2161.5-109.7-5.6115.4H33 I35 R98 A99 I100 I104 E105 Q107 P282H33-R102 PolarHBondContact O-NH2 2.91Å; I35-R102 HydrophobicContact CD1-CB 3.42Å; I35-R102 VanDerWaalsContact CD1-CB 3.42Å; I35-R102 HydrophobicContact CD1-CG 3.6Å; I35-R102 HydrophobicContact CG1-CG 4.4Å; R98-R102 WeakPolarHBondContact O-CB 3.5Å; R98-R102 PolarHBondContact O-N 3.03Å; A99-R102 PolarHBondContact O-N 3.5Å; I100-R102 PolarHBondContact O-N 2.72Å; R102-I104 VanDerWaalsContact C-N 3.3Å; R102-E105 VanDerWaalsContact CD-O 3.32Å; R102-E105 WeakPolarHBondContact CD-O 3.22Å; R102-Q107 VanDerWaalsContact CZ-CB 3.47Å; R102-Q107 PolarHBondContact NE-O 3.46Å; R102-Q107 PolarHBondContact NH2-O 3.01Å; R102-P282 HydrophobicContact CB-CB 4.15Å; R102-P282 HydrophobicContact CG-CB 4.1Å; R102-P282 HydrophobicContact CG-CG 4.1Å
103F92.6Very high90.8Very high72 Ų7274.6 Ų74.632%0.31638%0.381SS..Hα-helixtrans-71.9-25.8167.9-91.7-81.2000112.4A99 I100 E101 Y279 P282 S283 I286A99-F103 VanDerWaalsContact O-CD2 3.29Å; A99-F103 WeakPolarHBondContact O-CD2 3.4Å; A99-F103 PolarHBondContact O-N 3.02Å; A99-F103 VanDerWaalsContact O-N 3.15Å; I100-F103 WeakPolarHBondContact O-CB 3.27Å; I100-F103 PolarHBondContact O-N 3.31Å; I100-F103 VanDerWaalsContact O-N 3.1Å; E101-F103 VanDerWaalsContact C-N 3.33Å; E101-F103 PolarHBondContact O-N 2.83Å; F103-Y279 AromaticContact CD1-CD1 3.45Å; F103-Y279 HydrophobicContact CD1-CD1 3.45Å; F103-Y279 VanDerWaalsContact CD1-CD1 3.45Å; F103-Y279 HydrophobicContact CD1-CE1 4.04Å; F103-Y279 HydrophobicContact CD1-CG 4.31Å; F103-Y279 AromaticContact CE1-CD1 3.79Å; F103-Y279 HydrophobicContact CE1-CD1 3.79Å; F103-Y279 HydrophobicContact CE1-CG 4.22Å; F103-Y279 HydrophobicContact CG-CD1 4.38Å; F103-Y279 WeakPolarHBondContact O-CE1 3.26Å; F103-P282 HydrophobicContact CD2-CB 3.79Å; F103-P282 HydrophobicContact CD2-CG 4.18Å; F103-P282 HydrophobicContact CE2-CB 3.67Å; F103-P282 HydrophobicContact CE2-CG 4.05Å; F103-P282 HydrophobicContact CZ-CB 4.37Å; F103-P282 HydrophobicContact CZ-CG 4.31Å; F103-S283 WeakPolarHBondContact CZ-OG 3.41Å; F103-I286 HydrophobicContact CD2-CD1 4.15Å; F103-I286 HydrophobicContact CE2-CD1 3.62Å
104I93Very high90.8Very high137 Ų13774.6 Ų74.670%0.70338%0.381SS*.Hα-helixtrans-90.1-52.4177.6-56.9174.1000109.4E101 R102E101-I104 PolarHBondContact O-N 3.06Å; R102-I104 VanDerWaalsContact C-N 3.3Å
105E91Very high90.8Very high133 Ų13371 Ų7162%0.62136%0.359SS*.SBendtrans-102.177178.6-66-170.5-168.900110.7E101 R102 Q107E101-E105 PolarHBondContact O-N 3.38Å; R102-E105 VanDerWaalsContact CD-O 3.32Å; R102-E105 WeakPolarHBondContact CD-O 3.22Å; E105-Q107 PolarHBondContact O-N 2.95Å
106T88Confident90.9Very high51 Ų5171.4 Ų71.431%0.31336%0.362SS..  trans-64.9124.8179.257.80000111.6L278 Y279T106-L278 HydrophobicContact CG2-CB 4.12Å; T106-Y279 HydrophobicContact CG2-CD1 4.03Å; T106-Y279 HydrophobicContact CG2-CE1 3.4Å; T106-Y279 VanDerWaalsContact CG2-CE1 3.4Å
107Q87Confident90.9Very high92 Ų9277.2 Ų77.243%0.4338%0.383SS..  trans-118.5143.7167.7-30.8169.9-2500109.5R102 E105R102-Q107 VanDerWaalsContact CZ-CB 3.47Å; R102-Q107 PolarHBondContact NE-O 3.46Å; R102-Q107 PolarHBondContact NH2-O 3.01Å; E105-Q107 PolarHBondContact O-N 2.95Å
108A86.7Confident90.9Very high55 Ų5572.2 Ų72.246%0.45536%0.357SS..  trans-74.6150.4177.700000111.5L278A108-L278 HydrophobicContact CB-CD2 4.06Å
109I88.3Confident90.9Very high30 Ų3065.6 Ų65.615%0.15433%0.332CS..  trans-80.3124.1174.2-73.8164.4000109.5I32 S111 P112 M115 L262 D281I32-I109 HydrophobicContact CB-CG2 4.27Å; I32-I109 HydrophobicContact CD1-CG2 4.26Å; I32-I109 HydrophobicContact CG1-CG2 4.32Å; I32-I109 WeakPolarHBondContact O-CA 3.46Å; I109-S111 PolarHBondContact O-N 3.32Å; I109-P112 HydrophobicContact CG2-CB 4.45Å; I109-M115 HydrophobicContact CD1-SD 4.09Å; I109-L262 HydrophobicContact CD1-CD1 3.57Å; I109-D281 HydrophobicContact CD1-CB 3.67Å
110E79.6Confident90.9Very high112 Ų11268.4 Ų68.452%0.52335%0.351SS..SBendtrans-82.9106.1178.9-62.4-173.3158.800109.4I32 H33I32-E110 WeakPolarHBondContact CB-O 3.38Å; I32-E110 WeakPolarHBondContact CG2-O 3.44Å; I32-E110 PolarHBondContact O-N 2.96Å; H33-E110 IonicContact CE1-OE2 3.62Å; H33-E110 PolarHBondContact CE1-OE2 2.99Å; H33-E110 IonicContact ND1-OE2 3.21Å; H33-E110 PolarHBondContact ND1-OE2 3.29Å
111S88.3Confident90.8Very high73 Ų7365.9 Ų65.951%0.5134%0.344SS..  trans69.872.3-178.4-49.30000115.9I109 Q113 M114I109-S111 PolarHBondContact O-N 3.32Å; S111-Q113 PolarHBondContact O-N 3.23Å; S111-M114 PolarHBondContact O-N 2.97Å
112P87.5Confident90.6Very high35 Ų3561.6 Ų61.623%0.22732%0.324CS..Hα-helixtrans-58.6-16.3175.823.4-34.4000115I109 M115 V116 L262 L263I109-P112 HydrophobicContact CG2-CB 4.45Å; P112-M115 WeakPolarHBondContact O-CB 3.39Å; P112-M115 PolarHBondContact O-N 3.43Å; P112-V116 PolarHBondContact O-N 2.93Å; P112-L262 HydrophobicContact CB-CB 4.18Å; P112-L263 HydrophobicContact CB-CD2 4.01Å; P112-L263 HydrophobicContact CB-CG 4.23Å; P112-L263 HydrophobicContact CG-CD2 3.74Å; P112-L263 HydrophobicContact CG-CG 4.46Å
113Q91.9Very high90.6Very high120 Ų12062.9 Ų62.956%0.56133%0.332SS*.Hα-helixtrans-62.7-39.6171-67178.6-2700112.4S111 M115 V116 Y117 L263S111-Q113 PolarHBondContact O-N 3.23Å; Q113-M115 VanDerWaalsContact C-N 3.3Å; Q113-M115 PolarHBondContact O-N 3.27Å; Q113-V116 PolarHBondContact O-N 3.27Å; Q113-Y117 HydrophobicContact CB-CE2 4.34Å; Q113-Y117 WeakPolarHBondContact O-CD2 3.35Å; Q113-Y117 PolarHBondContact O-N 2.91Å; Q113-Y117 VanDerWaalsContact O-N 3.1Å; Q113-L263 HydrophobicContact CG-CD1 4.46Å; Q113-L263 HydrophobicContact CG-CD2 3.95Å
114M92.9Very high90.5Very high86 Ų8665.1 Ų65.142%0.42435%0.347SS..Hα-helixtrans-65.1-36.9176.5-67.3-60.8-67.400111.3V28 I32 S111 V116 Y117 V118V28-M114 HydrophobicContact CG1-CB 4.22Å; I32-M114 HydrophobicContact CG2-CB 4.16Å; S111-M114 PolarHBondContact O-N 2.97Å; M114-V116 VanDerWaalsContact C-N 3.34Å; M114-V116 PolarHBondContact O-N 2.93Å; M114-Y117 PolarHBondContact O-N 3.03Å; M114-Y117 HydrophobicContact SD-CD2 4.41Å; M114-V118 WeakPolarHBondContact O-CG2 3.47Å; M114-V118 PolarHBondContact O-N 3.03Å
115M93.4Very high90.3Very high0 Ų059.9 Ų59.90%032%0.321CS..Hα-helixtrans-60.6-40.5175.1-160.4-177.9173.400112.1I32 S34 I109 P112 Q113 G119 V255 A259 L262I32-M115 HydrophobicContact CD1-CB 3.67Å; I32-M115 HydrophobicContact CD1-CG 3.88Å; I32-M115 HydrophobicContact CD1-SD 4.5Å; S34-M115 WeakPolarHBondContact OG-CE 3.4Å; I109-M115 HydrophobicContact CD1-SD 4.09Å; P112-M115 WeakPolarHBondContact O-CB 3.39Å; P112-M115 PolarHBondContact O-N 3.43Å; Q113-M115 VanDerWaalsContact C-N 3.3Å; Q113-M115 PolarHBondContact O-N 3.27Å; M115-G119 PolarHBondContact O-N 3.48Å; M115-V255 HydrophobicContact CE-CG1 3.99Å; M115-V255 HydrophobicContact CG-CG1 4.14Å; M115-A259 HydrophobicContact CB-CB 3.8Å; M115-A259 HydrophobicContact CG-CB 3.76Å; M115-A259 HydrophobicContact SD-CB 3.82Å; M115-L262 HydrophobicContact SD-CD1 4.49Å
116V93.4Very high90.1Very high24 Ų2453.8 Ų53.815%0.14529%0.292CS..Hα-helixtrans-65.1-49.1173.4175.10000111.4P112 Q113 M114 V118 G119 C120 A259 L260 L263P112-V116 PolarHBondContact O-N 2.93Å; Q113-V116 PolarHBondContact O-N 3.27Å; M114-V116 VanDerWaalsContact C-N 3.34Å; M114-V116 PolarHBondContact O-N 2.93Å; V116-V118 VanDerWaalsContact C-N 3.31Å; V116-V118 PolarHBondContact O-N 2.87Å; V116-G119 PolarHBondContact O-N 3.27Å; V116-C120 VanDerWaalsContact O-CB 3.25Å; V116-C120 WeakPolarHBondContact O-CB 3.06Å; V116-C120 PolarHBondContact O-N 2.85Å; V116-C120 PolarHBondContact O-SG 3.11Å; V116-C120 VanDerWaalsContact O-SG 3.33Å; V116-A259 HydrophobicContact CB-CB 4.42Å; V116-A259 HydrophobicContact CG2-CB 3.47Å; V116-A259 VanDerWaalsContact CG2-CB 3.47Å; V116-L260 HydrophobicContact CG2-CD2 4.45Å; V116-L263 HydrophobicContact CG2-CD1 3.5Å; V116-L263 VanDerWaalsContact CG2-CD1 3.5Å
117Y94.3Very high90.1Very high162 Ų16254.6 Ų54.664%0.63529%0.294SS*.Hα-helixtrans-61.9-40.8-176.8-66.3-48.3000112.5Q113 M114 G121Q113-Y117 HydrophobicContact CB-CE2 4.34Å; Q113-Y117 WeakPolarHBondContact O-CD2 3.35Å; Q113-Y117 PolarHBondContact O-N 2.91Å; Q113-Y117 VanDerWaalsContact O-N 3.1Å; M114-Y117 PolarHBondContact O-N 3.03Å; M114-Y117 HydrophobicContact SD-CD2 4.41Å; Y117-G121 PolarHBondContact O-N 3.25Å
118V94.1Very high90Very high13 Ų1353.7 Ų53.78%0.07929%0.292CS..Hα-helixtrans-66.4-61.1174.2175.90000109.8Y21 V24 E25 V28 L37 M114 V116 C120 G121 G122Y21-V118 HydrophobicContact CE2-CG1 4.44Å; Y21-V118 VanDerWaalsContact OH-C 3.25Å; Y21-V118 WeakPolarHBondContact OH-CG1 3.16Å; Y21-V118 PolarHBondContact OH-O 2.9Å; V24-V118 HydrophobicContact CG1-CG2 4.32Å; E25-V118 HydrophobicContact CB-CG1 4.49Å; E25-V118 HydrophobicContact CG-CG1 3.77Å; V28-V118 HydrophobicContact CB-CG2 4.02Å; V28-V118 HydrophobicContact CG1-CG2 3.84Å; V28-V118 HydrophobicContact CG2-CG2 3.94Å; L37-V118 HydrophobicContact CD1-CG1 3.78Å; L37-V118 HydrophobicContact CD2-CB 4.38Å; L37-V118 HydrophobicContact CD2-CG1 4.09Å; M114-V118 WeakPolarHBondContact O-CG2 3.47Å; M114-V118 PolarHBondContact O-N 3.03Å; V116-V118 VanDerWaalsContact C-N 3.31Å; V116-V118 PolarHBondContact O-N 2.87Å; V118-C120 VanDerWaalsContact C-N 3.26Å; V118-C120 PolarHBondContact O-N 2.97Å; V118-C120 VanDerWaalsContact O-N 3.09Å; V118-G121 CarbonylContact O-C 3.57Å; V118-G121 VanDerWaalsContact O-CA 3.23Å; V118-G121 WeakPolarHBondContact O-CA 3.34Å; V118-G121 PolarHBondContact O-N 2.72Å; V118-G122 PolarHBondContact O-N 3.15Å
119G92.7Very high89.7Confident0 Ų051.4 Ų51.40%027%0.274CS..Hα-helixtrans-55.4-35.5-176.300000114.7M115 V116 G122 L123 V256M115-G119 PolarHBondContact O-N 3.48Å; V116-G119 PolarHBondContact O-N 3.27Å; G119-G122 PolarHBondContact O-N 2.98Å; G119-L123 WeakPolarHBondContact O-CB 3.33Å; G119-L123 PolarHBondContact O-N 3.43Å; G119-V256 WeakPolarHBondContact O-CG2 3.41Å
120C93.5Very high89.2Confident58 Ų5853 Ų5339%0.39228%0.282SS..Hα-helixtrans-67.5-34.4172.3-73.90000112.9V116 V118 L124V116-C120 VanDerWaalsContact O-CB 3.25Å; V116-C120 WeakPolarHBondContact O-CB 3.06Å; V116-C120 PolarHBondContact O-N 2.85Å; V116-C120 PolarHBondContact O-SG 3.11Å; V116-C120 VanDerWaalsContact O-SG 3.33Å; V118-C120 VanDerWaalsContact C-N 3.26Å; V118-C120 PolarHBondContact O-N 2.97Å; V118-C120 VanDerWaalsContact O-N 3.09Å; C120-L124 WeakPolarHBondContact O-CB 3.42Å; C120-L124 PolarHBondContact O-N 3.37Å; C120-L124 VanDerWaalsContact O-N 3.07Å
121G92.9Very high89.4Confident25 Ų2552.9 Ų52.926%0.25828%0.284SS..Hα-helixtrans-64.3-42.6170.400000112.5Y117 V118 L124 V125Y117-G121 PolarHBondContact O-N 3.25Å; V118-G121 CarbonylContact O-C 3.57Å; V118-G121 VanDerWaalsContact O-CA 3.23Å; V118-G121 WeakPolarHBondContact O-CA 3.34Å; V118-G121 PolarHBondContact O-N 2.72Å; G121-L124 WeakPolarHBondContact O-CB 2.98Å; G121-L124 PolarHBondContact O-N 3.29Å; G121-V125 WeakPolarHBondContact O-CG2 3.49Å; G121-V125 PolarHBondContact O-N 3.43Å
122G90.7Very high88.9Confident0 Ų050.7 Ų50.70%027%0.268CS..Hα-helixtrans-64-46.2175.900000112.4Y21 V118 G119 L124 V125 N126Y21-G122 VanDerWaalsContact OH-CA 3.26Å; Y21-G122 WeakPolarHBondContact OH-CA 3.38Å; Y21-G122 PolarHBondContact OH-N 2.99Å; V118-G122 PolarHBondContact O-N 3.15Å; G119-G122 PolarHBondContact O-N 2.98Å; G122-L124 PolarHBondContact O-N 3.29Å; G122-V125 PolarHBondContact O-N 3.33Å; G122-V125 VanDerWaalsContact O-N 3.11Å; G122-N126 WeakPolarHBondContact O-CB 3.41Å; G122-N126 VanDerWaalsContact O-CG 3.29Å; G122-N126 PolarHBondContact O-N 3.1Å; G122-N126 PolarHBondContact O-ND2 3.23Å
123L90.6Very high88Confident42 Ų4252.2 Ų52.222%0.2227%0.273CS..Hα-helixtrans-54.4-41.7171.7-167.375.1000111.8G119 N126 I127 F249 V253G119-L123 WeakPolarHBondContact O-CB 3.33Å; G119-L123 PolarHBondContact O-N 3.43Å; L123-N126 PolarHBondContact O-N 2.94Å; L123-I127 HydrophobicContact CG-CD1 4.03Å; L123-I127 WeakPolarHBondContact O-CB 3.32Å; L123-I127 WeakPolarHBondContact O-CD1 3.42Å; L123-I127 WeakPolarHBondContact O-CG1 3.06Å; L123-I127 PolarHBondContact O-N 2.92Å; L123-F249 HydrophobicContact CD1-CD2 3.8Å; L123-F249 HydrophobicContact CD1-CE2 3.59Å; L123-F249 HydrophobicContact CD1-CZ 4.38Å; L123-V253 HydrophobicContact CD1-CG2 3.59Å
124L91.5Very high86.7Confident120 Ų12048.9 Ų48.963%0.62827%0.271SS*.Hα-helixtrans-67.8-41.4177.2-177.764.7000112.7C120 G121 G122 N126 I127 L128C120-L124 WeakPolarHBondContact O-CB 3.42Å; C120-L124 PolarHBondContact O-N 3.37Å; C120-L124 VanDerWaalsContact O-N 3.07Å; G121-L124 WeakPolarHBondContact O-CB 2.98Å; G121-L124 PolarHBondContact O-N 3.29Å; G122-L124 PolarHBondContact O-N 3.29Å; L124-N126 VanDerWaalsContact C-N 3.35Å; L124-I127 PolarHBondContact O-N 2.73Å; L124-L128 WeakPolarHBondContact O-CB 3.41Å; L124-L128 PolarHBondContact O-N 2.99Å
125V89Confident84.9Confident26 Ų2647.2 Ų47.216%0.15828%0.276CS..Hα-helixtrans-62.2-43.3174.5171.20000110.5Y21 G121 G122 L128 G129Y21-V125 HydrophobicContact CD2-CG2 4.31Å; Y21-V125 HydrophobicContact CG-CG2 4.29Å; G121-V125 WeakPolarHBondContact O-CG2 3.49Å; G121-V125 PolarHBondContact O-N 3.43Å; G122-V125 PolarHBondContact O-N 3.33Å; G122-V125 VanDerWaalsContact O-N 3.11Å; V125-L128 WeakPolarHBondContact O-CB 3.4Å; V125-L128 PolarHBondContact O-N 3.33Å; V125-G129 PolarHBondContact O-N 2.92Å
126N85.8Confident82.8Confident5 Ų552.9 Ų52.93%0.02730%0.302CS..Hα-helixtrans-68.5-39.5179.6-68-25.8000112.2G122 L123 L124 G129 L130 D248 F249 S252G122-N126 WeakPolarHBondContact O-CB 3.41Å; G122-N126 VanDerWaalsContact O-CG 3.29Å; G122-N126 PolarHBondContact O-N 3.1Å; G122-N126 PolarHBondContact O-ND2 3.23Å; L123-N126 PolarHBondContact O-N 2.94Å; L124-N126 VanDerWaalsContact C-N 3.35Å; N126-G129 PolarHBondContact O-N 2.99Å; N126-L130 WeakPolarHBondContact O-CG 3.46Å; N126-L130 PolarHBondContact O-N 2.96Å; N126-D248 VanDerWaalsContact ND2-C 3.3Å; N126-D248 PolarHBondContact ND2-O 3.45Å; N126-D248 VanDerWaalsContact ND2-O 3.16Å; N126-F249 HydrophobicContact CB-CB 4.47Å; N126-S252 PolarHBondContact ND2-OG 3.35Å; N126-S252 VanDerWaalsContact ND2-OG 3.11Å
127I87.7Confident80.2Confident68 Ų6856.2 Ų56.235%0.34933%0.327SS..Hα-helixtrans-63.4-42.7171.1-71.3165.5000111.1L123 L124 G129 L130 I131 F249L123-I127 HydrophobicContact CG-CD1 4.03Å; L123-I127 WeakPolarHBondContact O-CB 3.32Å; L123-I127 WeakPolarHBondContact O-CD1 3.42Å; L123-I127 WeakPolarHBondContact O-CG1 3.06Å; L123-I127 PolarHBondContact O-N 2.92Å; L124-I127 PolarHBondContact O-N 2.73Å; I127-G129 VanDerWaalsContact C-N 3.29Å; I127-G129 PolarHBondContact O-N 2.94Å; I127-L130 PolarHBondContact O-N 3.38Å; I127-I131 HydrophobicContact CG2-CD1 3.88Å; I127-I131 WeakPolarHBondContact O-CG1 3.42Å; I127-I131 PolarHBondContact O-N 2.98Å; I127-F249 HydrophobicContact CG1-CE2 4.39Å
128L85.5Confident77.5Confident73 Ų7357.6 Ų57.638%0.38234%0.339SS..Hα-helixtrans-61.3-40.4174.7-177.762.6000110.9M14 L17 L124 V125 I131 V132M14-L128 HydrophobicContact CE-CD2 4.44Å; M14-L128 HydrophobicContact CE-CG 4.33Å; L17-L128 HydrophobicContact CD1-CD2 4.24Å; L124-L128 WeakPolarHBondContact O-CB 3.41Å; L124-L128 PolarHBondContact O-N 2.99Å; V125-L128 WeakPolarHBondContact O-CB 3.4Å; V125-L128 PolarHBondContact O-N 3.33Å; L128-I131 PolarHBondContact O-N 2.82Å; L128-V132 HydrophobicContact CD1-CG2 4.08Å; L128-V132 HydrophobicContact CG-CG2 4.32Å; L128-V132 VanDerWaalsContact O-CB 3.31Å; L128-V132 WeakPolarHBondContact O-CB 3.44Å; L128-V132 VanDerWaalsContact O-CG2 3.23Å; L128-V132 WeakPolarHBondContact O-CG2 3.46Å; L128-V132 PolarHBondContact O-N 3.49Å
129G79.5Confident74.7Confident7 Ų766.6 Ų66.67%0.07238%0.38CS..Hα-helixtrans-56.2-50.5171.100000113.1M14 V125 N126 I127 I131 V132 L133M14-G129 VanDerWaalsContact SD-CA 3.53Å; V125-G129 PolarHBondContact O-N 2.92Å; N126-G129 PolarHBondContact O-N 2.99Å; I127-G129 VanDerWaalsContact C-N 3.29Å; I127-G129 PolarHBondContact O-N 2.94Å; G129-I131 VanDerWaalsContact C-N 3.34Å; G129-I131 PolarHBondContact O-N 3.32Å; G129-V132 PolarHBondContact O-N 3.29Å; G129-L133 WeakPolarHBondContact O-CB 3.48Å; G129-L133 VanDerWaalsContact O-CG 3.32Å; G129-L133 WeakPolarHBondContact O-CG 3.31Å; G129-L133 PolarHBondContact O-N 3.33Å
130L79.3Confident71.9Confident64 Ų6470.5 Ų70.534%0.33542%0.42SS..Hα-helixtrans-60.3-40.5176.6-71.5171.6000112.6N126 I127 G134 V245N126-L130 WeakPolarHBondContact O-CG 3.46Å; N126-L130 PolarHBondContact O-N 2.96Å; I127-L130 PolarHBondContact O-N 3.38Å; L130-G134 WeakPolarHBondContact O-CA 3.35Å; L130-G134 PolarHBondContact O-N 2.98Å; L130-V245 HydrophobicContact CD2-CB 4.29Å; L130-V245 HydrophobicContact CD2-CG1 3.52Å; L130-V245 HydrophobicContact CG-CG1 3.62Å
131I83.3Confident69.1Low109 Ų10973.6 Ų73.656%0.55944%0.442SS*.Hα-helixtrans-68.4-44.3176.7-66165.7000110.7I127 L128 G129 L133 G134 G135I127-I131 HydrophobicContact CG2-CD1 3.88Å; I127-I131 WeakPolarHBondContact O-CG1 3.42Å; I127-I131 PolarHBondContact O-N 2.98Å; L128-I131 PolarHBondContact O-N 2.82Å; G129-I131 VanDerWaalsContact C-N 3.34Å; G129-I131 PolarHBondContact O-N 3.32Å; I131-L133 VanDerWaalsContact C-N 3.27Å; I131-L133 PolarHBondContact O-N 3.27Å; I131-G134 PolarHBondContact O-N 3.41Å; I131-G135 PolarHBondContact O-N 3.49Å
132V77.1Confident66.7Low28 Ų2881.7 Ų81.717%0.1747%0.473CS..Hα-helixtrans-69.5-22.5-179.91720000112.3R10 M14 L128 G129R10-V132 HydrophobicContact CB-CG1 4.01Å; R10-V132 HydrophobicContact CG-CG1 4.14Å; R10-V132 VanDerWaalsContact CZ-O 3.25Å; R10-V132 PolarHBondContact NE-O 3.37Å; R10-V132 VanDerWaalsContact NE-O 3.07Å; R10-V132 PolarHBondContact NH2-O 2.99Å; M14-V132 HydrophobicContact CE-CB 4.22Å; M14-V132 HydrophobicContact CE-CG1 4.13Å; M14-V132 HydrophobicContact CE-CG2 4.02Å; M14-V132 HydrophobicContact CG-CB 4.41Å; M14-V132 HydrophobicContact CG-CG1 3.92Å; M14-V132 HydrophobicContact SD-CB 4.01Å; M14-V132 HydrophobicContact SD-CG1 4.11Å; M14-V132 HydrophobicContact SD-CG2 4.38Å; L128-V132 HydrophobicContact CD1-CG2 4.08Å; L128-V132 HydrophobicContact CG-CG2 4.32Å; L128-V132 VanDerWaalsContact O-CB 3.31Å; L128-V132 WeakPolarHBondContact O-CB 3.44Å; L128-V132 VanDerWaalsContact O-CG2 3.23Å; L128-V132 WeakPolarHBondContact O-CG2 3.46Å; L128-V132 PolarHBondContact O-N 3.49Å; G129-V132 PolarHBondContact O-N 3.29Å
133L68.6Low64.1Low66 Ų6685.5 Ų85.535%0.34651%0.512SS..Hα-helixtrans-90.9-41.3172-68.3168.3000112.8L11 G129 I131 V241 V245L11-L133 HydrophobicContact CD2-CD2 3.85Å; G129-L133 WeakPolarHBondContact O-CB 3.48Å; G129-L133 VanDerWaalsContact O-CG 3.32Å; G129-L133 WeakPolarHBondContact O-CG 3.31Å; G129-L133 PolarHBondContact O-N 3.33Å; I131-L133 VanDerWaalsContact C-N 3.27Å; I131-L133 PolarHBondContact O-N 3.27Å; L133-V241 HydrophobicContact CD1-CG1 3.9Å; L133-V241 HydrophobicContact CD2-CG1 4.43Å; L133-V245 HydrophobicContact CD1-CG2 3.88Å
134G65.3Low61.7Low50 Ų5086.9 Ų86.952%0.51554%0.537SS..Hα-helixtrans-79.5-17.5-175.800000115.6L130 I131 H136L130-G134 WeakPolarHBondContact O-CA 3.35Å; L130-G134 PolarHBondContact O-N 2.98Å; I131-G134 PolarHBondContact O-N 3.41Å; G134-H136 PolarHBondContact O-N 2.92Å
135G55.5Low59.1Low51 Ų5188.6 Ų88.653%0.52655%0.545SS..THydrogen-bonded Turntrans-71.650.3179.100000115.1I131I131-G135 PolarHBondContact O-N 3.49Å
136H47.8Very low56.7Low119 Ų11995.1 Ų95.155%0.55158%0.579SS**THydrogen-bonded Turntrans-142.515.8179.7-98.4126.8000114.3N7 R10 G134N7-H136 PolarHBondContact OD1-CE1 3.15Å; R10-H136 PolarHBondContact NH1-CE1 3.46Å; G134-H136 PolarHBondContact O-N 2.92Å
137S39Very low54.3Low95 Ų95100.7 Ų100.766%0.66462%0.618SS**SBendtrans-127.17.2-172.3-58.60000116.4
138H37.9Very low51.9Low190 Ų190102.2 Ų102.288%0.8864%0.641SS**  trans-140.680.2179.2-72.6-68.6000113.5
139E35.6Very low49.4Very low203 Ų203105 Ų10595%0.94966%0.661SS**  trans-112.6115155.9-82.3-171.3101.700110.1
140G34.5Very low47.2Very low81 Ų81112.8 Ų112.884%0.83570%0.701SS**  trans49.397.9151.800000121.2
141S35.3Very low44.8Very low124 Ų124114.2 Ų114.287%0.86772%0.722SS**  -161.9131.4123.4-160.20000112.3
142H42.1Very low42.3Very low195 Ų195114.6 Ų114.690%0.90373%0.734SS**  trans-99.6135.1172.3-74.5-96.6000110.3
143G36.3Very low39.9Very low80 Ų80121.1 Ų121.183%0.82577%0.767SS**  trans154.2118.7159.800000116.7
144G39Very low38.1Very low71 Ų71123.8 Ų123.873%0.73279%0.786SS**  trans69.3104.216900000114.6
145I37.7Very low36.4Very low156 Ų156127.4 Ų127.480%0.880%0.801SS**  43.593.966.2-48.2-178.8000112.1
146D38.4Very low35.3Very low162 Ų162131.1 Ų131.187%0.86681%0.813SS**  -159.3150.6120.4-99.3-25.8000111.1
147S35.6Very low34.6Very low122 Ų122130.1 Ų130.185%0.85383%0.826SS**  trans-90.5131.9-160.6-57.80000114.4
148A37Very low34Very low101 Ų101135.7 Ų135.784%0.83584%0.838SS**  trans-152.1114150.500000109.7
149V33Very low33.6Very low132 Ų132130.1 Ų130.180%0.883%0.833SS**  trans-91.5130.2174.4173.20000108.1
150D32.2Very low33.1Very low170 Ų170126.4 Ų126.491%0.90982%0.824SS**  trans-151.8120.1147.2-101.5-34.2000109.7
151A30Very low33Very low94 Ų94129.3 Ų129.378%0.77783%0.825SS**  trans-110.8122.9-178.700000109.6
152S30Very low32.7Very low116 Ų116131.4 Ų131.481%0.81183%0.826SS**  trans-135.978.5172.3179.50000110.5
153L27.8Very low32Very low166 Ų166127.5 Ų127.587%0.86982%0.818SS**  trans-84.4123.5160-80.2161000108.9
154T30.4Very low31.7Very low122 Ų122131.6 Ų131.675%0.74882%0.82SS**  trans-164.8116.6154.318.40000111.2
155P29.9Very low31.4Very low125 Ų125132.7 Ų132.781%0.81282%0.817SS**  trans-108.2115.4165.634.2-23.9000111.2
156T32.7Very low31.1Very low130 Ų130133 Ų13380%0.79882%0.82SS**  trans-147.2121.9167.344.10000106.7
157A32.4Very low30.9Very low98 Ų98130.4 Ų130.481%0.8181%0.812SS**  113.2142.553.100000108.4
158F26.1Very low30.6Very low211 Ų211132.2 Ų132.293%0.92581%0.812SS**  trans-54.5141.9-172.5-124.7-113.2000114
159G29.8Very low30.4Very low74 Ų74136 Ų13676%0.76381%0.813SS**  trans-166.996.9174.800000113.5
160T25.5Very low30.2Very low124 Ų124133.7 Ų133.776%0.76181%0.807SS**  trans-78.7127.4179.9-44.10000111.8
161T32.6Very low30.1Very low142 Ų142135 Ų13587%0.87181%0.805SS**  trans-158.4164.7151.3160000112.4
162L27.7Very low29.9Very low168 Ų168137.7 Ų137.788%0.8881%0.805SS**  trans-80.5165.2-162.3-76.9158.5000115.1
163P28.3Very low29.7Very low114 Ų114141.2 Ų141.274%0.7481%0.809SS**  trans-86.5154.1-165.434.9-36.5000114.2
164L30Very low29.8Very low165 Ų165139.9 Ų139.986%0.86481%0.808SS**  trans-133.4125169.5-137.782.5000112.7
165S33Very low29.5Very low94 Ų94140.8 Ų140.866%0.65781%0.808SS**  trans14.5121.2152.459.40000122.2
166N31.5Very low29.5Very low164 Ų164140.3 Ų140.388%0.87781%0.807SS**  trans58.3144.5138.6-83.211.8000123.2
167P33.7Very low29.3Very low106 Ų106139.9 Ų139.969%0.68881%0.805SS**  trans-99.2155.4-178.140.2-34.1000113.5
168D28.3Very low29.3Very low161 Ų161143.9 Ų143.986%0.86181%0.807SS**  trans-165.9179.4145.6-92.2-37.4000107.1
169E34.3Very low29.3Very low181 Ų181139.8 Ų139.885%0.84680%0.801SS**  trans78.883.1-167.5-54.9-66.7137.100113.8
170A27.8Very low29.4Very low82 Ų82144.3 Ų144.368%0.67881%0.806SS**  73.110578.900000115
171F29.4Very low29.5Very low199 Ų199143.9 Ų143.987%0.87381%0.808SS**  trans-146.6110.3153.7-129.8-86.7000113.7
172L27.5Very low29.3Very low149 Ų149140.7 Ų140.778%0.7880%0.803SS**  trans9.9124159.1-72154.7000120.6
173Q25.4Very low29.5Very low190 Ų190138.1 Ų138.189%0.88880%0.795SS**  trans-67143.2164.1-61.8173.2-42.900112.2
174V29.3Very low29.5Very low139 Ų139140.6 Ų140.684%0.84280%0.801SS**  trans-128.2114.9153.7177.50000107.8
175N24.3Very low29.5Very low140 Ų140139 Ų13975%0.74979%0.794SS**  trans-94.2128.9-176.9-165.911.3000110
176S29.9Very low29.4Very low115 Ų115140.7 Ų140.780%0.80480%0.8SS**  trans-156.189.1171.3-89.20000111.2
177T28.4Very low29.3Very low121 Ų121140.5 Ų140.574%0.74279%0.788SS**  trans-69.8133.7166.1450000112.2
178Q31.7Very low29.1Very low183 Ų183142.1 Ų142.186%0.85579%0.791SS**  trans-173.9132.9132.4-104.9172.324.300110.6
179P27.6Very low29.2Very low125 Ų125141.3 Ų141.381%0.81279%0.785SS**PPolyproline II helixtrans-84.5139.5-178.933.5-33.3000111.6
180I31.3Very low29Very low169 Ų169137.1 Ų137.187%0.86777%0.771SS**PPolyproline II helixtrans-102.2124.2170.6-63.4179.7000109.6
181S28.4Very low29.2Very low115 Ų115138 Ų13880%0.80477%0.765SS**PPolyproline II helixtrans-71.4143.9-176.8-45.70000113.5
182G27.8Very low29.5Very low74 Ų74132 Ų13276%0.76376%0.76SS**  trans79.682.5146.300000118.4
183V32.5Very low29.8Very low115 Ų115132.6 Ų132.670%0.69776%0.764SS**  trans-138.8103.9149.9-176.20000109.9N185V183-N185 HydrophobicContact CG1-CB 4.18Å; V183-N185 VanDerWaalsContact CG1-CG 3.48Å; V183-N185 PolarHBondContact O-N 3.12Å
184N26.6Very low30.4Very low165 Ų165126.9 Ų126.988%0.88274%0.742SS**  trans-83.995166.8-73.4-18000108.8
185N31.1Very low30.6Very low131 Ų131127.1 Ų127.170%0.70174%0.737SS**  trans-112.3104.6172.8-82.5-1.7000111.3V183V183-N185 HydrophobicContact CG1-CB 4.18Å; V183-N185 VanDerWaalsContact CG1-CG 3.48Å; V183-N185 PolarHBondContact O-N 3.12Å
186V30.8Very low31.1Very low130 Ų130127.9 Ų127.979%0.78874%0.736SS**  trans-58.6143.2165.6172.10000109.7D188V186-D188 PolarHBondContact O-N 3.21Å
187Y28.8Very low31.1Very low161 Ų161133.2 Ų133.263%0.63174%0.739SS**  trans-8192174.1-80.1-96.2000110.6K368Y187-K368 WeakPolarHBondContact OH-CE 3.36Å; Y187-K368 PolarHBondContact OH-NZ 2.87Å
188D29.4Very low31.2Very low140 Ų140135.4 Ų135.475%0.74974%0.738SS**  trans-83.6128.9161.1-100.6-39.1000111V186 V190V186-D188 PolarHBondContact O-N 3.21Å; D188-V190 HydrophobicContact CB-CG2 4.3Å; D188-V190 PolarHBondContact O-N 3.4Å
189I30.4Very low31.3Very low143 Ų143131.1 Ų131.173%0.73373%0.725SS**  trans-82.982.5-179.5-57.5173000108
190V31.8Very low31.3Very low93 Ų93132.3 Ų132.356%0.56473%0.725SS**  trans-84124.1-179.2-175.90000111.2D188D188-V190 HydrophobicContact CB-CG2 4.3Å; D188-V190 PolarHBondContact O-N 3.4Å
191D31.3Very low31.2Very low101 Ų101134 Ų13454%0.5473%0.726SS.*  trans-66.1143.3177.9-91.9-44000113.6N193 T194D191-N193 PolarHBondContact O-N 2.9Å; D191-T194 PolarHBondContact O-N 2.89Å
192G34.9Very low31.4Very low74 Ų74137.3 Ų137.376%0.76373%0.728SS**THydrogen-bonded Turntrans-66.96.7-17400000116.8
193N35.1Very low31.5Very low161 Ų161143 Ų14386%0.86174%0.735SS**THydrogen-bonded Turntrans-100.5-10.2177.7-73.3-15.5000113.6D191D191-N193 PolarHBondContact O-N 2.9Å
194T36.8Very low31.3Very low70 Ų70145.1 Ų145.143%0.42974%0.737SS.*SBendtrans-96.2-23.2-175.9-500000113D191 Q196 R197 F198D191-T194 PolarHBondContact O-N 2.89Å; T194-Q196 PolarHBondContact O-N 3.05Å; T194-R197 PolarHBondContact O-N 3.44Å; T194-F198 HydrophobicContact CG2-CD2 4.36Å; T194-F198 HydrophobicContact CG2-CE2 3.93Å
195L33.6Very low31.4Very low143 Ų143143.7 Ų143.775%0.74973%0.73SS**THydrogen-bonded Turntrans-77.513.3-171.2-139.3130.8000115
196Q34.3Very low31.3Very low156 Ų156145.5 Ų145.573%0.72974%0.739SS**THydrogen-bonded Turntrans-122.717.3178.7-138.8175.5-43.300113.1T194T194-Q196 PolarHBondContact O-N 3.05Å
197R29.8Very low31.2Very low228 Ų228149.2 Ų149.286%0.8675%0.745SS**SBendtrans-1242173-106.5-175.8-179.7170.80.5114.8T194T194-R197 PolarHBondContact O-N 3.44Å
198F31.8Very low31.3Very low166 Ų166150.7 Ų150.773%0.72876%0.758SS**SBendtrans-109.6-1.5178.7-77.1-77.7000113.9T194T194-F198 HydrophobicContact CG2-CD2 4.36Å; T194-F198 HydrophobicContact CG2-CE2 3.93Å
199T33.1Very low31.3Very low93 Ų93147.7 Ų147.757%0.57175%0.753SS**SBendtrans-81.6136.5150.9510000107.4
200D27.8Very low31.5Very low151 Ų151147 Ų14781%0.80776%0.761SS**SBendtrans82.161.2180-42.5-24.5000116.7
201K30.2Very low31.7Very low204 Ų204151 Ų15189%0.88777%0.773SS**SBendtrans-170-24.2136.3-111.2167-174.9-1770121.6
202E32.5Very low31.7Very low184 Ų184152.9 Ų152.986%0.8678%0.783SS**  trans-118.481.5-169.3-70.7177.1125.600112.9
203Q29.6Very low31.7Very low193 Ų193155.5 Ų155.590%0.90278%0.779SS**  trans-131.823.2172.2-151.1175.8-3.200112.5
204Q28.4Very low31.7Very low160 Ų160152.7 Ų152.775%0.74877%0.768SS**SBendtrans-130.5144177.4-148.286.916.800107.7
205D28.2Very low31.5Very low135 Ų135155.1 Ų155.172%0.72278%0.778SS**  trans67.192.4166.3-46.8-28.7000117.6
206N29.3Very low31.5Very low169 Ų169156.7 Ų156.790%0.90478%0.782SS**  trans172.383.1131.4-87.2-39000112
207F28.1Very low31.5Very low208 Ų208157.9 Ų157.991%0.91279%0.788SS**  trans-147.767.8158.7-157.5-96.1000111.7
208E30.4Very low31.3Very low192 Ų192157.2 Ų157.290%0.89779%0.791SS**  trans-112148157.8-68.1-174.111600107.6
209A29.8Very low31.2Very low78 Ų78154.8 Ų154.865%0.64579%0.789SS**  cis-161.9148.5-18.800000107.6
210S35.7Very low31Very low129 Ų129155.2 Ų155.290%0.90280%0.802SS**  trans-161.3131.2156.5-83.60000109.2
211Q36.2Very low31Very low175 Ų175153.5 Ų153.582%0.81880%0.797SS**  trans-97.9165.3-161.4-61.9-174.7200113.8
212L31.1Very low30.9Very low142 Ų142153 Ų15374%0.74380%0.795SS**  trans14.5139.6149.1-81.865.5000118.6
213D34.5Very low31Very low128 Ų128149.8 Ų149.868%0.68478%0.782SS**  cis-159.4-170.213-130.8-14.2000109.2
214T34.9Very low30.9Very low103 Ų103149.8 Ų149.863%0.63278%0.779SS**  cis-149.5160.615-12.90000113.2
215N33Very low31.3Very low121 Ų121149 Ų14965%0.64778%0.775SS**  trans61.4104.5149.1-75.4-39000122.3
216Q33.6Very low31.4Very low175 Ų175150 Ų15082%0.81878%0.78SS**  63.698.7127-59-17813.200120
217Q33.3Very low31.9Very low182 Ų182149.6 Ų149.685%0.8577%0.773SS**  -163.2111.8101.8-163.2147.7-3.500111.3V219Q217-V219 PolarHBondContact O-N 3.48Å
218K26.3Very low32.3Very low214 Ų214144.6 Ų144.693%0.9376%0.764SS**  trans-80105.5176.9-85.7-175.4174.6177.50111
219V29.2Very low32.3Very low114 Ų114145.1 Ų145.169%0.69176%0.763SS**  trans-104.8107.8162.8-1770000108.8Q217 V221Q217-V219 PolarHBondContact O-N 3.48Å; V219-V221 HydrophobicContact CG1-CG2 4.14Å; V219-V221 PolarHBondContact O-N 2.79Å; V219-V221 VanDerWaalsContact O-N 3.12Å
220A28.9Very low32.5Very low102 Ų102150.8 Ų150.884%0.84377%0.773SS**  trans-81.687.2-179.800000111.2K222A220-K222 PolarHBondContact O-N 2.88Å
221V28.9Very low32.3Very low115 Ų115149.5 Ų149.570%0.69776%0.764SS**  trans-75.1104.6174-178.10000110V219 I223V219-V221 HydrophobicContact CG1-CG2 4.14Å; V219-V221 PolarHBondContact O-N 2.79Å; V219-V221 VanDerWaalsContact O-N 3.12Å; V221-I223 HydrophobicContact CG1-CG1 3.96Å; V221-I223 PolarHBondContact O-N 3.37Å
222K28Very low32.2Very low193 Ų193149.6 Ų149.684%0.83977%0.765SS**  trans-80.581.9178.5-165.4176.3-171.6175.10110.4A220 K224A220-K222 PolarHBondContact O-N 2.88Å; K222-K224 PolarHBondContact O-N 3.28Å
223I32.9Very low32.4Very low117 Ų117151.2 Ų151.260%0.676%0.761SS**  trans-65.1104.5177.8-57.6-177.8000109.5V221 H225V221-I223 HydrophobicContact CG1-CG1 3.96Å; V221-I223 PolarHBondContact O-N 3.37Å; I223-H225 PolarHBondContact O-N 2.85Å; I223-H225 VanDerWaalsContact O-N 3.16Å
224K28.5Very low32.5Very low194 Ų194147.3 Ų147.384%0.84375%0.75SS**  trans-73.398.3165.2-81-175173.8-1780108.4K222 N226K222-K224 PolarHBondContact O-N 3.28Å; K224-N226 PolarHBondContact O-N 3.41Å
225H37.6Very low33.2Very low142 Ų142144.5 Ų144.566%0.65774%0.735SS**  trans-66.699.4164.8-69.7-70.3000109.2I223 H227I223-H225 PolarHBondContact O-N 2.85Å; I223-H225 VanDerWaalsContact O-N 3.16Å; H225-H227 VanDerWaalsContact C-N 3.3Å; H225-H227 PolarHBondContact O-N 3.32Å
226N30Very low34.1Very low156 Ų156142.3 Ų142.383%0.83472%0.722SS**  trans-73.290.4169.7-165.920.9000107.9K224 S228K224-N226 PolarHBondContact O-N 3.41Å; N226-S228 VanDerWaalsContact C-N 3.27Å; N226-S228 PolarHBondContact O-N 2.97Å
227H39Very low35Very low162 Ų162137.3 Ų137.375%0.7570%0.701SS**  trans-65.391.5172.6-74.2-79.1000108.8H225 K229H225-H227 VanDerWaalsContact C-N 3.3Å; H225-H227 PolarHBondContact O-N 3.32Å; H227-K229 PolarHBondContact O-N 3.03Å
228S36.3Very low36.1Very low103 Ų103134.6 Ų134.672%0.7269%0.689SS**  trans-49.9117.7162.4-178.60000107.2N226 K230N226-S228 VanDerWaalsContact C-N 3.27Å; N226-S228 PolarHBondContact O-N 2.97Å; S228-K230 PolarHBondContact O-N 2.8Å
229K30.6Very low37.7Very low202 Ų202130 Ų13088%0.87867%0.671SS**  trans-59.499.9-176.6-72.8-179.6177.8177.90107.5H227 S231H227-K229 PolarHBondContact O-N 3.03Å; K229-S231 PolarHBondContact O-N 3.05Å
230K34.1Very low39.3Very low197 Ų197127.1 Ų127.186%0.85766%0.659SS**  trans-61.396.8167.5-78.2-169.2176.2-175.30106.4S228 H232S228-K230 PolarHBondContact O-N 2.8Å; K230-H232 VanDerWaalsContact C-N 3.31Å; K230-H232 PolarHBondContact O-N 3.32Å
231S31.5Very low41.2Very low103 Ų103123.7 Ų123.772%0.7263%0.628SS**  trans-53.3103.81641750000105.9K229 R233K229-S231 PolarHBondContact O-N 3.05Å; S231-R233 PolarHBondContact O-N 3.15Å
232H34Very low43.1Very low177 Ų177124 Ų12482%0.81962%0.621SS**  trans-73.479.7178.4-164.1-62.6000105.9K230 G234K230-H232 VanDerWaalsContact C-N 3.31Å; K230-H232 PolarHBondContact O-N 3.32Å; H232-G234 PolarHBondContact O-N 2.95Å
233R35Very low45.1Very low176 Ų176118.2 Ų118.266%0.66460%0.598SS**  trans-43.6112.8173.1-98-176166.5173.5-1.4105.9S231 S235 E314S231-R233 PolarHBondContact O-N 3.15Å; R233-S235 PolarHBondContact O-N 3.34Å; R233-E314 IonicContact CZ-OE1 3.27Å; R233-E314 IonicContact NH1-OE1 2.72Å; R233-E314 PolarHBondContact NH1-OE1 3.2Å; R233-E314 IonicContact NH2-OE1 2.72Å; R233-E314 PolarHBondContact NH2-OE1 3.39Å
234G37.1Very low47.1Very low45 Ų45114 Ų11446%0.46458%0.576SS.*  trans-52.4143.1178.200000108.3H232 M236H232-G234 PolarHBondContact O-N 2.95Å; G234-M236 PolarHBondContact O-N 3.45Å
235S50.1Low49.3Very low44 Ų44105.3 Ų105.331%0.30854%0.539SS..  trans-51.4139.3173.949.60000108.6R233 N237 M238 Q239R233-S235 PolarHBondContact O-N 3.34Å; S235-N237 PolarHBondContact O-N 3.39Å; S235-M238 PolarHBondContact O-N 3.14Å; S235-M238 WeakPolarHBondContact OG-CG 3.43Å; S235-Q239 PolarHBondContact O-N 3.38Å
236M50.8Low51.3Low75 Ų75102 Ų10237%0.36953%0.526SS..Hα-helixtrans-52.9-30.7-173.8-85.1175.537.600112.2G234 M238 Q239 A240 S343G234-M236 PolarHBondContact O-N 3.45Å; M236-M238 PolarHBondContact O-N 3.35Å; M236-Q239 PolarHBondContact O-N 2.94Å; M236-A240 WeakPolarHBondContact O-CB 3.42Å; M236-A240 PolarHBondContact O-N 3.31Å; M236-S343 VanDerWaalsContact SD-CB 3.56Å; M236-S343 PolarHBondContact SD-OG 3.17Å
237N52Low53.7Low71 Ų7195.5 Ų95.538%0.3849%0.494SS..Hα-helixtrans-59.7-39.2173.6-56.610.6000113.6S235 A240 V241S235-N237 PolarHBondContact O-N 3.39Å; N237-A240 PolarHBondContact O-N 3.2Å; N237-V241 WeakPolarHBondContact O-CG2 3.35Å; N237-V241 PolarHBondContact O-N 2.7Å
238M56.9Low55.9Low124 Ų12487.9 Ų87.961%0.61146%0.459SS*.Hα-helixtrans-73.4-37.9178-67.9-65.7159.700111.8S235 M236 A240 F242S235-M238 PolarHBondContact O-N 3.14Å; S235-M238 WeakPolarHBondContact OG-CG 3.43Å; M236-M238 PolarHBondContact O-N 3.35Å; M238-A240 VanDerWaalsContact C-N 3.32Å; M238-F242 PolarHBondContact O-N 3.29Å
239Q60.2Low58.3Low117 Ų11785.9 Ų85.955%0.54744%0.437SS..Hα-helixtrans-65.2-38.3172.3-174.1173.77.500111.2S235 M236 F242 L243S235-Q239 PolarHBondContact O-N 3.38Å; M236-Q239 PolarHBondContact O-N 2.94Å; Q239-F242 PolarHBondContact O-N 2.88Å; Q239-L243 HydrophobicContact CG-CD1 3.98Å; Q239-L243 HydrophobicContact CG-CG 4.45Å; Q239-L243 WeakPolarHBondContact O-CB 3.28Å; Q239-L243 VanDerWaalsContact O-CG 3.32Å; Q239-L243 WeakPolarHBondContact O-CG 3.5Å; Q239-L243 PolarHBondContact O-N 3.04Å
240A63.3Low61Low54 Ų5479.3 Ų79.345%0.44641%0.41SS..Hα-helixtrans-63.2-48.7175.400000111.9M236 N237 M238 F242 L243 H244M236-A240 WeakPolarHBondContact O-CB 3.42Å; M236-A240 PolarHBondContact O-N 3.31Å; N237-A240 PolarHBondContact O-N 3.2Å; M238-A240 VanDerWaalsContact C-N 3.32Å; A240-F242 VanDerWaalsContact C-N 3.33Å; A240-F242 PolarHBondContact O-N 3.08Å; A240-L243 PolarHBondContact O-N 3Å; A240-H244 WeakPolarHBondContact O-CB 3.39Å; A240-H244 PolarHBondContact O-N 3.35Å
241V67.9Low63.7Low31 Ų3170 Ų7019%0.18837%0.37CS..Hα-helixtrans-59.9-42176.7170.80000111.6L51 L133 N237 V245L51-V241 HydrophobicContact CD2-CG2 4.23Å; L133-V241 HydrophobicContact CD1-CG1 3.9Å; L133-V241 HydrophobicContact CD2-CG1 4.43Å; N237-V241 WeakPolarHBondContact O-CG2 3.35Å; N237-V241 PolarHBondContact O-N 2.7Å; V241-V245 WeakPolarHBondContact O-CG2 3.42Å; V241-V245 PolarHBondContact O-N 3.29Å; V241-V245 VanDerWaalsContact O-N 3.12Å
242F68.7Low66.5Low122 Ų12265.1 Ų65.154%0.53534%0.336SS..Hα-helixtrans-65.1-43.7176.6177.7-96.7000112.8M238 Q239 A240 L246M238-F242 PolarHBondContact O-N 3.29Å; Q239-F242 PolarHBondContact O-N 2.88Å; A240-F242 VanDerWaalsContact C-N 3.33Å; A240-F242 PolarHBondContact O-N 3.08Å; F242-L246 HydrophobicContact CE1-CD2 4.23Å; F242-L246 WeakPolarHBondContact O-CB 3.48Å; F242-L246 PolarHBondContact O-N 3.46Å
243L71.3Confident69.3Low71 Ų7158.8 Ų58.837%0.37231%0.31SS..Hα-helixtrans-65.7-37.2178.4-75.5170.5000112.5Q239 A240 A247Q239-L243 HydrophobicContact CG-CD1 3.98Å; Q239-L243 HydrophobicContact CG-CG 4.45Å; Q239-L243 WeakPolarHBondContact O-CB 3.28Å; Q239-L243 VanDerWaalsContact O-CG 3.32Å; Q239-L243 WeakPolarHBondContact O-CG 3.5Å; Q239-L243 PolarHBondContact O-N 3.04Å; A240-L243 PolarHBondContact O-N 3Å; L243-A247 WeakPolarHBondContact O-CB 3.45Å; L243-A247 PolarHBondContact O-N 2.99Å
244H74.5Confident72.1Confident27 Ų2751 Ų5113%0.12528%0.281CS..Hα-helixtrans-59.2-56.6172.9153.644.5000111.4D47 A240 L246 A247 D248D47-H244 WeakPolarHBondContact CB-CE1 3.17Å; D47-H244 WeakPolarHBondContact CB-ND1 3.17Å; D47-H244 IonicContact OD2-CE1 3.35Å; D47-H244 IonicContact OD2-CG 3.67Å; D47-H244 IonicContact OD2-ND1 2.73Å; D47-H244 PolarHBondContact OD2-ND1 3.49Å; A240-H244 WeakPolarHBondContact O-CB 3.39Å; A240-H244 PolarHBondContact O-N 3.35Å; H244-L246 PolarHBondContact O-N 3.33Å; H244-A247 WeakPolarHBondContact O-CA 3.27Å; H244-A247 WeakPolarHBondContact O-CB 3.43Å; H244-A247 PolarHBondContact O-N 3.38Å; H244-D248 IonicContact CE1-OD2 2.74Å; H244-D248 PolarHBondContact CE1-OD2 3.01Å; H244-D248 IonicContact ND1-OD2 2.76Å; H244-D248 PolarHBondContact ND1-OD2 2.83Å; H244-D248 IonicContact NE2-OD2 2.99Å; H244-D248 PolarHBondContact O-N 3.29Å
245V75.5Confident74.7Confident13 Ų1348.9 Ų48.98%0.07926%0.259CS..Hα-helixtrans-64.5-30.2-178.5-178.90000112L130 L133 V241 F249L130-V245 HydrophobicContact CD2-CB 4.29Å; L130-V245 HydrophobicContact CD2-CG1 3.52Å; L130-V245 HydrophobicContact CG-CG1 3.62Å; L133-V245 HydrophobicContact CD1-CG2 3.88Å; V241-V245 WeakPolarHBondContact O-CG2 3.42Å; V241-V245 PolarHBondContact O-N 3.29Å; V241-V245 VanDerWaalsContact O-N 3.12Å; V245-F249 VanDerWaalsContact O-CB 3.31Å; V245-F249 WeakPolarHBondContact O-CB 3.41Å; V245-F249 PolarHBondContact O-N 3.01Å
246L78Confident76.8Confident72 Ų7247.6 Ų47.638%0.37725%0.25SC..Hα-helixtrans-68.1-35.9171.7-179.461.8000112.5F242 H244 M250F242-L246 HydrophobicContact CE1-CD2 4.23Å; F242-L246 WeakPolarHBondContact O-CB 3.48Å; F242-L246 PolarHBondContact O-N 3.46Å; H244-L246 PolarHBondContact O-N 3.33Å; L246-M250 WeakPolarHBondContact O-CG 3.23Å; L246-M250 PolarHBondContact O-N 2.97Å; L246-M250 VanDerWaalsContact O-N 3.09Å
247A81.9Confident78.8Confident20 Ų2047 Ų4717%0.16525%0.25CS..Hα-helixtrans-70.9-45.1177.200000111.6H43 L243 H244 F249 M250 G251H43-A247 VanDerWaalsContact CE1-CB 3.42Å; H43-A247 WeakPolarHBondContact CE1-CB 3.28Å; L243-A247 WeakPolarHBondContact O-CB 3.45Å; L243-A247 PolarHBondContact O-N 2.99Å; H244-A247 WeakPolarHBondContact O-CA 3.27Å; H244-A247 WeakPolarHBondContact O-CB 3.43Å; H244-A247 PolarHBondContact O-N 3.38Å; A247-F249 VanDerWaalsContact C-N 3.33Å; A247-F249 PolarHBondContact O-N 3.25Å; A247-M250 PolarHBondContact O-N 2.94Å; A247-G251 PolarHBondContact O-N 3.16Å
248D84Confident80.8Confident1 Ų143.7 Ų43.71%0.00523%0.232CC..Hα-helixtrans-59.5-42.8172.8-69.8-20.4000111.7H43 N126 H244 M250 G251 S252H43-D248 IonicContact CE1-OD1 3.37Å; H43-D248 PolarHBondContact CE1-OD1 2.75Å; H43-D248 VanDerWaalsContact CE1-OD1 3.31Å; H43-D248 IonicContact ND1-OD1 3.68Å; H43-D248 PolarHBondContact ND1-OD1 2.89Å; N126-D248 VanDerWaalsContact ND2-C 3.3Å; N126-D248 PolarHBondContact ND2-O 3.45Å; N126-D248 VanDerWaalsContact ND2-O 3.16Å; H244-D248 IonicContact CE1-OD2 2.74Å; H244-D248 PolarHBondContact CE1-OD2 3.01Å; H244-D248 IonicContact ND1-OD2 2.76Å; H244-D248 PolarHBondContact ND1-OD2 2.83Å; H244-D248 IonicContact NE2-OD2 2.99Å; H244-D248 PolarHBondContact O-N 3.29Å; D248-M250 VanDerWaalsContact C-N 3.28Å; D248-M250 PolarHBondContact O-N 3.45Å; D248-G251 PolarHBondContact O-N 2.96Å; D248-S252 PolarHBondContact O-N 3.12Å; D248-S252 PolarHBondContact O-OG 3.13Å
249F86.6Confident82.4Confident61 Ų6137.8 Ų37.827%0.26820%0.203SC..Hα-helixtrans-57.8-41.2173.5174.4-96000112L123 N126 I127 V245 A247 V253L123-F249 HydrophobicContact CD1-CD2 3.8Å; L123-F249 HydrophobicContact CD1-CE2 3.59Å; L123-F249 HydrophobicContact CD1-CZ 4.38Å; N126-F249 HydrophobicContact CB-CB 4.47Å; I127-F249 HydrophobicContact CG1-CE2 4.39Å; V245-F249 VanDerWaalsContact O-CB 3.31Å; V245-F249 WeakPolarHBondContact O-CB 3.41Å; V245-F249 PolarHBondContact O-N 3.01Å; A247-F249 VanDerWaalsContact C-N 3.33Å; A247-F249 PolarHBondContact O-N 3.25Å; F249-V253 HydrophobicContact CD1-CG2 4.44Å; F249-V253 HydrophobicContact CE1-CG2 4.01Å; F249-V253 HydrophobicContact CE2-CG2 4.31Å; F249-V253 HydrophobicContact CZ-CG2 3.94Å; F249-V253 VanDerWaalsContact O-CG2 3.27Å; F249-V253 WeakPolarHBondContact O-CG2 3.35Å; F249-V253 PolarHBondContact O-N 3.12Å; F249-V253 VanDerWaalsContact O-N 3.12Å
250M88.4Confident84Confident65 Ų6535.4 Ų35.432%0.3219%0.194SC..Hα-helixtrans-70.3-37.3177.5-67-88.967.800112.6L246 A247 D248 V253 I254L246-M250 WeakPolarHBondContact O-CG 3.23Å; L246-M250 PolarHBondContact O-N 2.97Å; L246-M250 VanDerWaalsContact O-N 3.09Å; A247-M250 PolarHBondContact O-N 2.94Å; D248-M250 VanDerWaalsContact C-N 3.28Å; D248-M250 PolarHBondContact O-N 3.45Å; M250-V253 HydrophobicContact CE-CB 4.23Å; M250-V253 HydrophobicContact CE-CG1 4.31Å; M250-V253 HydrophobicContact CE-CG2 4.38Å; M250-V253 PolarHBondContact O-N 3.19Å; M250-I254 WeakPolarHBondContact O-CB 3.35Å; M250-I254 VanDerWaalsContact O-CG1 3.27Å; M250-I254 WeakPolarHBondContact O-CG1 3.25Å; M250-I254 PolarHBondContact O-N 2.99Å
251G89.8Confident85.3Confident1 Ų135 Ų351%0.0119%0.185CC..Hα-helixtrans-57.1-54.1172.800000111.9D40 A247 D248 V253 I254 V255D40-G251 WeakPolarHBondContact OD1-CA 3.37Å; A247-G251 PolarHBondContact O-N 3.16Å; D248-G251 PolarHBondContact O-N 2.96Å; G251-V253 VanDerWaalsContact C-N 3.32Å; G251-V253 PolarHBondContact O-N 3.44Å; G251-I254 WeakPolarHBondContact O-CA 3.42Å; G251-I254 WeakPolarHBondContact O-CB 3.42Å; G251-I254 PolarHBondContact O-N 3.49Å; G251-V255 PolarHBondContact O-N 3.25Å
252S90Very high86.4Confident0 Ų034.7 Ų34.70%018%0.183CC..Hα-helixtrans-64.3-34.6179.9-54.30000112.8D40 N126 D248 V255 V256D40-S252 VanDerWaalsContact OD2-CA 3.31Å; D40-S252 WeakPolarHBondContact OD2-CA 3.37Å; D40-S252 PolarHBondContact OD2-N 3.24Å; D40-S252 PolarHBondContact OD2-OG 3.14Å; N126-S252 PolarHBondContact ND2-OG 3.35Å; N126-S252 VanDerWaalsContact ND2-OG 3.11Å; D248-S252 PolarHBondContact O-N 3.12Å; D248-S252 PolarHBondContact O-OG 3.13Å; S252-V255 PolarHBondContact O-N 3.34Å; S252-V256 WeakPolarHBondContact O-CB 3.26Å; S252-V256 VanDerWaalsContact O-CG2 3.28Å; S252-V256 WeakPolarHBondContact O-CG2 3.32Å; S252-V256 PolarHBondContact O-N 2.91Å
253V92.7Very high87.4Confident45 Ų4532.4 Ų32.427%0.27318%0.176SC..Hα-helixtrans-62.1-43.7172167.70000111.3L123 F249 M250 G251 V256 V257L123-V253 HydrophobicContact CD1-CG2 3.59Å; F249-V253 HydrophobicContact CD1-CG2 4.44Å; F249-V253 HydrophobicContact CE1-CG2 4.01Å; F249-V253 HydrophobicContact CE2-CG2 4.31Å; F249-V253 HydrophobicContact CZ-CG2 3.94Å; F249-V253 VanDerWaalsContact O-CG2 3.27Å; F249-V253 WeakPolarHBondContact O-CG2 3.35Å; F249-V253 PolarHBondContact O-N 3.12Å; F249-V253 VanDerWaalsContact O-N 3.12Å; M250-V253 HydrophobicContact CE-CB 4.23Å; M250-V253 HydrophobicContact CE-CG1 4.31Å; M250-V253 HydrophobicContact CE-CG2 4.38Å; M250-V253 PolarHBondContact O-N 3.19Å; G251-V253 VanDerWaalsContact C-N 3.32Å; G251-V253 PolarHBondContact O-N 3.44Å; V253-V256 PolarHBondContact O-N 2.73Å; V253-V257 HydrophobicContact CG1-CG2 4.36Å; V253-V257 WeakPolarHBondContact O-CB 3.39Å; V253-V257 VanDerWaalsContact O-CG2 3.28Å; V253-V257 WeakPolarHBondContact O-CG2 3.31Å; V253-V257 PolarHBondContact O-N 2.86Å
254I93.9Very high88.3Confident12 Ų1235.4 Ų35.46%0.06219%0.191CC..Hα-helixtrans-62.6-45.4178.3-74.7169.9000110.7M250 G251 V257 S258 M284 L287 M288 I291M250-I254 WeakPolarHBondContact O-CB 3.35Å; M250-I254 VanDerWaalsContact O-CG1 3.27Å; M250-I254 WeakPolarHBondContact O-CG1 3.25Å; M250-I254 PolarHBondContact O-N 2.99Å; G251-I254 WeakPolarHBondContact O-CA 3.42Å; G251-I254 WeakPolarHBondContact O-CB 3.42Å; G251-I254 PolarHBondContact O-N 3.49Å; I254-V257 PolarHBondContact O-N 2.74Å; I254-S258 WeakPolarHBondContact O-CB 3.44Å; I254-S258 PolarHBondContact O-N 3.45Å; I254-M284 HydrophobicContact CB-CE 4.29Å; I254-M284 HydrophobicContact CG2-CB 3.76Å; I254-M284 HydrophobicContact CG2-CE 3.93Å; I254-M284 WeakPolarHBondContact CG2-O 3.45Å; I254-M284 VanDerWaalsContact O-CE 3.25Å; I254-M284 WeakPolarHBondContact O-CE 3.29Å; I254-L287 HydrophobicContact CD1-CG 4.36Å; I254-M288 HydrophobicContact CD1-CB 3.92Å; I254-M288 HydrophobicContact CD1-CG 4.22Å; I254-M288 HydrophobicContact CG2-CB 4.36Å; I254-I291 HydrophobicContact CD1-CD1 3.93Å
255V93.2Very high89Confident0 Ų036.4 Ų36.40%020%0.199CC..Hα-helixtrans-59.7-48.9175.5171.50000111.4L37 D40 M115 G251 S252 V257 S258 A259L37-V255 HydrophobicContact CD1-CG1 4.07Å; D40-V255 HydrophobicContact CB-CG2 3.97Å; M115-V255 HydrophobicContact CE-CG1 3.99Å; M115-V255 HydrophobicContact CG-CG1 4.14Å; G251-V255 PolarHBondContact O-N 3.25Å; S252-V255 PolarHBondContact O-N 3.34Å; V255-V257 PolarHBondContact O-N 3.45Å; V255-S258 WeakPolarHBondContact O-CB 3.32Å; V255-S258 PolarHBondContact O-N 3.39Å; V255-A259 WeakPolarHBondContact O-CB 3.23Å; V255-A259 PolarHBondContact O-N 3.45Å
256V93.5Very high89.3Confident18 Ų1841.2 Ų41.211%0.10923%0.231CC..Hα-helixtrans-63.2-43.2179.7170.20000111.5G119 S252 V253 A259 L260G119-V256 WeakPolarHBondContact O-CG2 3.41Å; S252-V256 WeakPolarHBondContact O-CB 3.26Å; S252-V256 VanDerWaalsContact O-CG2 3.28Å; S252-V256 WeakPolarHBondContact O-CG2 3.32Å; S252-V256 PolarHBondContact O-N 2.91Å; V253-V256 PolarHBondContact O-N 2.73Å; V256-A259 PolarHBondContact O-N 3.3Å; V256-L260 HydrophobicContact CG1-CD1 3.76Å; V256-L260 HydrophobicContact CG1-CG 4.22Å; V256-L260 WeakPolarHBondContact O-CB 3.34Å; V256-L260 VanDerWaalsContact O-CG 3.26Å; V256-L260 WeakPolarHBondContact O-CG 3.43Å; V256-L260 PolarHBondContact O-N 3.15Å
257V93.7Very high89.5Confident63 Ų6339.1 Ų39.138%0.38223%0.227SC..Hα-helixtrans-63.7-43.6176.7170.80000111.1V253 I254 V255 A259 L260 V261 M284V253-V257 HydrophobicContact CG1-CG2 4.36Å; V253-V257 WeakPolarHBondContact O-CB 3.39Å; V253-V257 VanDerWaalsContact O-CG2 3.28Å; V253-V257 WeakPolarHBondContact O-CG2 3.31Å; V253-V257 PolarHBondContact O-N 2.86Å; I254-V257 PolarHBondContact O-N 2.74Å; V255-V257 PolarHBondContact O-N 3.45Å; V257-A259 PolarHBondContact O-N 2.91Å; V257-L260 PolarHBondContact O-N 2.98Å; V257-V261 HydrophobicContact CG1-CG2 4.4Å; V257-V261 WeakPolarHBondContact O-CB 3.38Å; V257-V261 VanDerWaalsContact O-CG2 3.3Å; V257-V261 WeakPolarHBondContact O-CG2 3.43Å; V257-V261 PolarHBondContact O-N 3.37Å; V257-M284 HydrophobicContact CB-CE 3.8Å; V257-M284 HydrophobicContact CG1-CE 3.65Å
258S92.5Very high89.3Confident0 Ų042.9 Ų42.90%024%0.241CC..Hα-helixtrans-55.5-51.2174.9-172.40000111.1I254 V255 L260 V261 L262I254-S258 WeakPolarHBondContact O-CB 3.44Å; I254-S258 PolarHBondContact O-N 3.45Å; V255-S258 WeakPolarHBondContact O-CB 3.32Å; V255-S258 PolarHBondContact O-N 3.39Å; S258-L260 PolarHBondContact O-N 2.92Å; S258-V261 PolarHBondContact O-N 2.79Å; S258-L262 WeakPolarHBondContact O-CG 3.46Å; S258-L262 PolarHBondContact O-N 2.97Å; S258-L262 VanDerWaalsContact O-N 3.12Å
259A91.6Very high89.1Confident0 Ų045 Ų450%025%0.254CS..Hα-helixtrans-64.9-40.9-179.500000113.3M115 V116 V255 V256 V257 L262 L263M115-A259 HydrophobicContact CB-CB 3.8Å; M115-A259 HydrophobicContact CG-CB 3.76Å; M115-A259 HydrophobicContact SD-CB 3.82Å; V116-A259 HydrophobicContact CB-CB 4.42Å; V116-A259 HydrophobicContact CG2-CB 3.47Å; V116-A259 VanDerWaalsContact CG2-CB 3.47Å; V255-A259 WeakPolarHBondContact O-CB 3.23Å; V255-A259 PolarHBondContact O-N 3.45Å; V256-A259 PolarHBondContact O-N 3.3Å; V257-A259 PolarHBondContact O-N 2.91Å; A259-L262 PolarHBondContact O-N 3.45Å; A259-L263 WeakPolarHBondContact O-CG 3.35Å; A259-L263 PolarHBondContact O-N 2.78Å; A259-L263 VanDerWaalsContact O-N 3.11Å
260L92.4Very high88.7Confident67 Ų6748 Ų4835%0.35128%0.282SS..Hα-helixtrans-65.7-39.9176.1-73.9174.6000112.3V116 V256 V257 S258 L262 L263 L264V116-L260 HydrophobicContact CG2-CD2 4.45Å; V256-L260 HydrophobicContact CG1-CD1 3.76Å; V256-L260 HydrophobicContact CG1-CG 4.22Å; V256-L260 WeakPolarHBondContact O-CB 3.34Å; V256-L260 VanDerWaalsContact O-CG 3.26Å; V256-L260 WeakPolarHBondContact O-CG 3.43Å; V256-L260 PolarHBondContact O-N 3.15Å; V257-L260 PolarHBondContact O-N 2.98Å; S258-L260 PolarHBondContact O-N 2.92Å; L260-L262 VanDerWaalsContact C-N 3.31Å; L260-L262 PolarHBondContact O-N 3.39Å; L260-L263 PolarHBondContact O-N 2.89Å; L260-L264 HydrophobicContact CB-CD1 4.29Å; L260-L264 HydrophobicContact CD2-CD1 4.35Å; L260-L264 VanDerWaalsContact O-CB 3.3Å; L260-L264 WeakPolarHBondContact O-CB 3.38Å; L260-L264 WeakPolarHBondContact O-CG 3.37Å; L260-L264 PolarHBondContact O-N 3.05Å
261V92.2Very high88.2Confident45 Ų4550.9 Ų50.927%0.27329%0.293SS..Hα-helixtrans-62.5-39.8174.9168.30000111V257 S258 L263 V265 W276 I280V257-V261 HydrophobicContact CG1-CG2 4.4Å; V257-V261 WeakPolarHBondContact O-CB 3.38Å; V257-V261 VanDerWaalsContact O-CG2 3.3Å; V257-V261 WeakPolarHBondContact O-CG2 3.43Å; V257-V261 PolarHBondContact O-N 3.37Å; S258-V261 PolarHBondContact O-N 2.79Å; V261-L263 PolarHBondContact O-N 3.34Å; V261-V265 HydrophobicContact CG1-CG2 4.32Å; V261-V265 WeakPolarHBondContact O-CB 3.38Å; V261-V265 VanDerWaalsContact O-CG2 3.27Å; V261-V265 WeakPolarHBondContact O-CG2 3.41Å; V261-V265 PolarHBondContact O-N 2.87Å; V261-W276 HydrophobicContact CG1-CZ3 4.3Å; V261-I280 HydrophobicContact CG1-CD1 4.26Å; V261-I280 HydrophobicContact CG1-CG1 4.26Å; V261-I280 HydrophobicContact CG1-CG2 4.29Å
262L90Very high87.8Confident26 Ų2652.7 Ų52.714%0.13631%0.312CS..Hα-helixtrans-66.1-35.3177.5-68.1168.7000113.1I109 P112 M115 S258 A259 L260 K277I109-L262 HydrophobicContact CD1-CD1 3.57Å; P112-L262 HydrophobicContact CB-CB 4.18Å; M115-L262 HydrophobicContact SD-CD1 4.49Å; S258-L262 WeakPolarHBondContact O-CG 3.46Å; S258-L262 PolarHBondContact O-N 2.97Å; S258-L262 VanDerWaalsContact O-N 3.12Å; A259-L262 PolarHBondContact O-N 3.45Å; L260-L262 VanDerWaalsContact C-N 3.31Å; L260-L262 PolarHBondContact O-N 3.39Å; L262-K277 HydrophobicContact CD2-CB 3.89Å; L262-K277 HydrophobicContact CD2-CG 4.41Å
263L90Very high87.4Confident73 Ų7359.1 Ų59.138%0.38234%0.342SS..Hα-helixtrans-84.6-44.7-179.2-71.4178.3000114.9P112 Q113 V116 A259 L260 V261P112-L263 HydrophobicContact CB-CD2 4.01Å; P112-L263 HydrophobicContact CB-CG 4.23Å; P112-L263 HydrophobicContact CG-CD2 3.74Å; P112-L263 HydrophobicContact CG-CG 4.46Å; Q113-L263 HydrophobicContact CG-CD1 4.46Å; Q113-L263 HydrophobicContact CG-CD2 3.95Å; V116-L263 HydrophobicContact CG2-CD1 3.5Å; V116-L263 VanDerWaalsContact CG2-CD1 3.5Å; A259-L263 WeakPolarHBondContact O-CG 3.35Å; A259-L263 PolarHBondContact O-N 2.78Å; A259-L263 VanDerWaalsContact O-N 3.11Å; L260-L263 PolarHBondContact O-N 2.89Å; V261-L263 PolarHBondContact O-N 3.34Å
264L91.1Very high87Confident134 Ų13457.1 Ų57.170%0.70233%0.33SS*.Hα-helixtrans-81.7-28.3-169.7-66.8175.5000113.2L260L260-L264 HydrophobicContact CB-CD1 4.29Å; L260-L264 HydrophobicContact CD2-CD1 4.35Å; L260-L264 VanDerWaalsContact O-CB 3.3Å; L260-L264 WeakPolarHBondContact O-CB 3.38Å; L260-L264 WeakPolarHBondContact O-CG 3.37Å; L260-L264 PolarHBondContact O-N 3.05Å
265V88.5Confident86.7Confident48 Ų4861.2 Ų61.229%0.29135%0.351SS..SBendtrans-79.6128.1-180-178.40000109V261 W276 K277V261-V265 HydrophobicContact CG1-CG2 4.32Å; V261-V265 WeakPolarHBondContact O-CB 3.38Å; V261-V265 VanDerWaalsContact O-CG2 3.27Å; V261-V265 WeakPolarHBondContact O-CG2 3.41Å; V261-V265 PolarHBondContact O-N 2.87Å; V265-W276 HydrophobicContact CB-CH2 4.4Å; V265-W276 HydrophobicContact CG1-CH2 3.84Å; V265-W276 HydrophobicContact CG1-CZ2 3.69Å; V265-W276 HydrophobicContact CG2-CH2 4.31Å; V265-K277 WeakPolarHBondContact O-CE 3.39Å; V265-K277 PolarHBondContact O-NZ 3.24Å
266P82.3Confident86.5Confident115 Ų11567.3 Ų67.375%0.74738%0.375SS*.  trans-66.1167.3177.527.3-35000112.8K277P266-K277 PolarHBondContact O-NZ 3.07Å
267G80.5Confident86.3Confident28 Ų2867.3 Ų67.329%0.28937%0.373SS..  trans102.4129.4177.200000113.3K277G267-K277 PolarHBondContact O-NZ 2.7Å
268E78.6Confident86.1Confident98 Ų9865.7 Ų65.746%0.45836%0.362SS..  trans-90.6129.7178.3-75.2167.7-140.300110.8S270 K271E268-S270 PolarHBondContact O-N 2.78Å; E268-K271 HydrophobicContact CB-CB 4.24Å; E268-K271 HydrophobicContact CB-CD 4.17Å; E268-K271 HydrophobicContact CB-CG 4.18Å; E268-K271 PolarHBondContact O-N 3.04Å; E268-K271 IonicContact OE1-NZ 2.72Å; E268-K271 PolarHBondContact OE1-NZ 3.08Å; E268-K271 VanDerWaalsContact OE2-CD 3.3Å; E268-K271 WeakPolarHBondContact OE2-CD 3.03Å; E268-K271 WeakPolarHBondContact OE2-CE 3.13Å; E268-K271 IonicContact OE2-NZ 2.87Å; E268-K271 PolarHBondContact OE2-NZ 2.83Å
269V80.6Confident86.1Confident46 Ų4670.3 Ų70.328%0.27938%0.38SS..G310 helixtrans-60.1-39.4173.5-179.10000110.4K271 G272 K277 L278V269-K271 PolarHBondContact O-N 2.8Å; V269-K271 VanDerWaalsContact O-N 3.15Å; V269-G272 PolarHBondContact O-N 3.21Å; V269-K277 HydrophobicContact CG2-CB 4.07Å; V269-K277 HydrophobicContact CG2-CD 4.23Å; V269-L278 HydrophobicContact CG1-CD1 3.95Å; V269-L278 HydrophobicContact CG1-CD2 3.97Å; V269-L278 HydrophobicContact CG1-CG 3.88Å
270S77.6Confident86.2Confident123 Ų12372 Ų7286%0.8639%0.388SS*.G310 helixtrans-61.8-19.9178.6-45.90000114.8E268E268-S270 PolarHBondContact O-N 2.78Å
271K78.6Confident86.2Confident127 Ų12769 Ų6955%0.55237%0.373SS*.G310 helixtrans-97.2-2.4175.7-70.6175.8178.9146.30113.1E268 V269 E273E268-K271 HydrophobicContact CB-CB 4.24Å; E268-K271 HydrophobicContact CB-CD 4.17Å; E268-K271 HydrophobicContact CB-CG 4.18Å; E268-K271 PolarHBondContact O-N 3.04Å; E268-K271 IonicContact OE1-NZ 2.72Å; E268-K271 PolarHBondContact OE1-NZ 3.08Å; E268-K271 VanDerWaalsContact OE2-CD 3.3Å; E268-K271 WeakPolarHBondContact OE2-CD 3.03Å; E268-K271 WeakPolarHBondContact OE2-CE 3.13Å; E268-K271 IonicContact OE2-NZ 2.87Å; E268-K271 PolarHBondContact OE2-NZ 2.83Å; V269-K271 PolarHBondContact O-N 2.8Å; V269-K271 VanDerWaalsContact O-N 3.15Å; K271-E273 HydrophobicContact CB-CG 3.99Å; K271-E273 PolarHBondContact O-N 3.48Å
272G81.1Confident86.3Confident39 Ų3966.8 Ų66.840%0.40236%0.36SS..THydrogen-bonded Turntrans76-2.9-176.300000115.1V269 A274V269-G272 PolarHBondContact O-N 3.21Å; G272-A274 VanDerWaalsContact C-N 3.3Å; G272-A274 PolarHBondContact O-N 2.87Å
273E81.6Confident86.5Confident135 Ų13568 Ų6863%0.63137%0.37SS*.THydrogen-bonded Turntrans-66.9-29.4-175.8-63.1174.3163.400113.1K271K271-E273 HydrophobicContact CB-CG 3.99Å; K271-E273 PolarHBondContact O-N 3.48Å
274A84.2Confident86.7Confident3 Ų366 Ų663%0.02536%0.359CS..THydrogen-bonded Turntrans-133.942.4-171.900000113G272 W276 K277G272-A274 VanDerWaalsContact C-N 3.3Å; G272-A274 PolarHBondContact O-N 2.87Å; A274-W276 PolarHBondContact O-N 3.15Å; A274-W276 VanDerWaalsContact O-N 3.1Å; A274-K277 HydrophobicContact CB-CD 3.79Å; A274-K277 HydrophobicContact CB-CG 4.07Å; A274-K277 VanDerWaalsContact O-CB 3.3Å; A274-K277 WeakPolarHBondContact O-CB 3.42Å; A274-K277 WeakPolarHBondContact O-CG 3.31Å; A274-K277 PolarHBondContact O-N 3.24Å
275L86.4Confident86.8Confident98 Ų9859.6 Ų59.651%0.51333%0.326SS..G310 helixtrans-52-33.2-179.9-72.5170.5000113.7K277 L278L275-K277 PolarHBondContact O-N 3.39Å; L275-K277 VanDerWaalsContact O-N 3.1Å; L275-L278 HydrophobicContact CD2-CD1 4.14Å; L275-L278 VanDerWaalsContact O-CB 3.31Å; L275-L278 WeakPolarHBondContact O-CB 3.39Å; L275-L278 PolarHBondContact O-N 2.96Å
276W89.2Confident87Confident128 Ų12859.6 Ų59.649%0.48532%0.324SS..G310 helixtrans-59.9-22.3179.363.7-95.9000114V261 V265 A274 L278 Y279 I280V261-W276 HydrophobicContact CG1-CZ3 4.3Å; V265-W276 HydrophobicContact CB-CH2 4.4Å; V265-W276 HydrophobicContact CG1-CH2 3.84Å; V265-W276 HydrophobicContact CG1-CZ2 3.69Å; V265-W276 HydrophobicContact CG2-CH2 4.31Å; A274-W276 PolarHBondContact O-N 3.15Å; A274-W276 VanDerWaalsContact O-N 3.1Å; W276-L278 PolarHBondContact O-N 3.27Å; W276-Y279 PolarHBondContact O-N 3.19Å; W276-Y279 VanDerWaalsContact O-N 3.1Å; W276-I280 HydrophobicContact CE3-CD1 4.01Å; W276-I280 HydrophobicContact CE3-CG1 4.09Å; W276-I280 HydrophobicContact CZ3-CD1 3.82Å; W276-I280 HydrophobicContact CZ3-CG1 3.99Å
277K89.5Confident87.6Confident18 Ų1858.1 Ų58.18%0.07831%0.309CS..G310 helixtrans-58.4-30.2174.2-71.8-177.8174.1-172.90112.7L262 V265 P266 G267 V269 A274 L275 Y279 I280L262-K277 HydrophobicContact CD2-CB 3.89Å; L262-K277 HydrophobicContact CD2-CG 4.41Å; V265-K277 WeakPolarHBondContact O-CE 3.39Å; V265-K277 PolarHBondContact O-NZ 3.24Å; P266-K277 PolarHBondContact O-NZ 3.07Å; G267-K277 PolarHBondContact O-NZ 2.7Å; V269-K277 HydrophobicContact CG2-CB 4.07Å; V269-K277 HydrophobicContact CG2-CD 4.23Å; A274-K277 HydrophobicContact CB-CD 3.79Å; A274-K277 HydrophobicContact CB-CG 4.07Å; A274-K277 VanDerWaalsContact O-CB 3.3Å; A274-K277 WeakPolarHBondContact O-CB 3.42Å; A274-K277 WeakPolarHBondContact O-CG 3.31Å; A274-K277 PolarHBondContact O-N 3.24Å; L275-K277 PolarHBondContact O-N 3.39Å; L275-K277 VanDerWaalsContact O-N 3.1Å; K277-Y279 PolarHBondContact O-N 2.92Å; K277-I280 PolarHBondContact O-N 2.94Å
278L89.5Confident88.1Confident28 Ų2857 Ų5715%0.14730%0.297CS..G310 helixtrans-60.6-26.2177.3-69.9164.8000113T106 A108 V269 L275 W276T106-L278 HydrophobicContact CG2-CB 4.12Å; A108-L278 HydrophobicContact CB-CD2 4.06Å; V269-L278 HydrophobicContact CG1-CD1 3.95Å; V269-L278 HydrophobicContact CG1-CD2 3.97Å; V269-L278 HydrophobicContact CG1-CG 3.88Å; L275-L278 HydrophobicContact CD2-CD1 4.14Å; L275-L278 VanDerWaalsContact O-CB 3.31Å; L275-L278 WeakPolarHBondContact O-CB 3.39Å; L275-L278 PolarHBondContact O-N 2.96Å; W276-L278 PolarHBondContact O-N 3.27Å
279Y93Very high88.7Confident98 Ų9852.4 Ų52.438%0.38428%0.275SS..G310 helixtrans-91.1-6.5-179.1-58.5-66.6000114F103 T106 W276 K277 P282 S283F103-Y279 AromaticContact CD1-CD1 3.45Å; F103-Y279 HydrophobicContact CD1-CD1 3.45Å; F103-Y279 VanDerWaalsContact CD1-CD1 3.45Å; F103-Y279 HydrophobicContact CD1-CE1 4.04Å; F103-Y279 HydrophobicContact CD1-CG 4.31Å; F103-Y279 AromaticContact CE1-CD1 3.79Å; F103-Y279 HydrophobicContact CE1-CD1 3.79Å; F103-Y279 HydrophobicContact CE1-CG 4.22Å; F103-Y279 HydrophobicContact CG-CD1 4.38Å; F103-Y279 WeakPolarHBondContact O-CE1 3.26Å; T106-Y279 HydrophobicContact CG2-CD1 4.03Å; T106-Y279 HydrophobicContact CG2-CE1 3.4Å; T106-Y279 VanDerWaalsContact CG2-CE1 3.4Å; W276-Y279 PolarHBondContact O-N 3.19Å; W276-Y279 VanDerWaalsContact O-N 3.1Å; K277-Y279 PolarHBondContact O-N 2.92Å; Y279-P282 WeakPolarHBondContact O-CD 3.5Å; Y279-P282 WeakPolarHBondContact O-CG 3.5Å; Y279-S283 VanDerWaalsContact O-CB 3.22Å; Y279-S283 WeakPolarHBondContact O-CB 3.42Å; Y279-S283 PolarHBondContact O-N 3.5Å; Y279-S283 PolarHBondContact O-OG 3.32Å
280I92.9Very high89.3Confident34 Ų3453.3 Ų53.317%0.17428%0.281CS..Hα-helixtrans-66.4-50.3-176.7-65.4-65.3000111.1V261 W276 K277 S283 M284V261-I280 HydrophobicContact CG1-CD1 4.26Å; V261-I280 HydrophobicContact CG1-CG1 4.26Å; V261-I280 HydrophobicContact CG1-CG2 4.29Å; W276-I280 HydrophobicContact CE3-CD1 4.01Å; W276-I280 HydrophobicContact CE3-CG1 4.09Å; W276-I280 HydrophobicContact CZ3-CD1 3.82Å; W276-I280 HydrophobicContact CZ3-CG1 3.99Å; K277-I280 PolarHBondContact O-N 2.94Å; I280-S283 WeakPolarHBondContact O-CB 3.26Å; I280-S283 PolarHBondContact O-N 2.87Å; I280-M284 HydrophobicContact CG2-CG 4.21Å; I280-M284 WeakPolarHBondContact O-CB 3.47Å; I280-M284 VanDerWaalsContact O-CG 3.23Å; I280-M284 WeakPolarHBondContact O-CG 3.35Å; I280-M284 PolarHBondContact O-N 2.88Å
281D92.8Very high90Very high4 Ų450.2 Ų50.22%0.02125%0.254CS..Hα-helixtrans-58.7-48.9179.4-176.981.1000114.2S34 I35 S36 I109 M284 S285S34-D281 PolarHBondContact OG-OD1 2.92Å; I35-D281 WeakPolarHBondContact CA-OD2 3.34Å; I35-D281 WeakPolarHBondContact CB-OD2 3.36Å; I35-D281 PolarHBondContact N-OD2 3.47Å; S36-D281 WeakPolarHBondContact CB-OD1 3.49Å; S36-D281 PolarHBondContact N-OD1 3.4Å; S36-D281 VanDerWaalsContact N-OD1 3.1Å; S36-D281 PolarHBondContact N-OD2 3.12Å; I109-D281 HydrophobicContact CD1-CB 3.67Å; D281-M284 PolarHBondContact O-N 3.33Å; D281-S285 WeakPolarHBondContact O-CB 3.3Å; D281-S285 PolarHBondContact O-N 2.92Å; D281-S285 PolarHBondContact O-OG 2.83Å
282P94Very high90.4Very high0 Ų044.6 Ų44.60%023%0.23CC..Hα-helixtrans-69.6-30.9174.828.1-36.1000112.9A99 R102 F103 Y279 S285 I286A99-P282 HydrophobicContact CB-CB 4.36Å; A99-P282 WeakPolarHBondContact O-CB 3.4Å; R102-P282 HydrophobicContact CB-CB 4.15Å; R102-P282 HydrophobicContact CG-CB 4.1Å; R102-P282 HydrophobicContact CG-CG 4.1Å; F103-P282 HydrophobicContact CD2-CB 3.79Å; F103-P282 HydrophobicContact CD2-CG 4.18Å; F103-P282 HydrophobicContact CE2-CB 3.67Å; F103-P282 HydrophobicContact CE2-CG 4.05Å; F103-P282 HydrophobicContact CZ-CB 4.37Å; F103-P282 HydrophobicContact CZ-CG 4.31Å; Y279-P282 WeakPolarHBondContact O-CD 3.5Å; Y279-P282 WeakPolarHBondContact O-CG 3.5Å; P282-S285 PolarHBondContact O-N 2.86Å; P282-I286 WeakPolarHBondContact O-CG1 3.43Å; P282-I286 PolarHBondContact O-N 3.46Å
283S94.5Very high90.9Very high51 Ų5143.8 Ų43.836%0.35722%0.216SC..Hα-helixtrans-62.6-46.1173-60.90000111.8F103 Y279 I280 S285 I286 L287F103-S283 WeakPolarHBondContact CZ-OG 3.41Å; Y279-S283 VanDerWaalsContact O-CB 3.22Å; Y279-S283 WeakPolarHBondContact O-CB 3.42Å; Y279-S283 PolarHBondContact O-N 3.5Å; Y279-S283 PolarHBondContact O-OG 3.32Å; I280-S283 WeakPolarHBondContact O-CB 3.26Å; I280-S283 PolarHBondContact O-N 2.87Å; S283-S285 VanDerWaalsContact C-N 3.32Å; S283-I286 PolarHBondContact O-N 3.28Å; S283-L287 PolarHBondContact O-N 3.43Å
284M93.9Very high91.4Very high30 Ų3042.9 Ų42.915%0.14822%0.215CC..Hα-helixtrans-67.2-34.8178.6-67.5-62-85.400111.3I254 V257 I280 D281 L287 M288I254-M284 HydrophobicContact CB-CE 4.29Å; I254-M284 HydrophobicContact CG2-CB 3.76Å; I254-M284 HydrophobicContact CG2-CE 3.93Å; I254-M284 WeakPolarHBondContact CG2-O 3.45Å; I254-M284 VanDerWaalsContact O-CE 3.25Å; I254-M284 WeakPolarHBondContact O-CE 3.29Å; V257-M284 HydrophobicContact CB-CE 3.8Å; V257-M284 HydrophobicContact CG1-CE 3.65Å; I280-M284 HydrophobicContact CG2-CG 4.21Å; I280-M284 WeakPolarHBondContact O-CB 3.47Å; I280-M284 VanDerWaalsContact O-CG 3.23Å; I280-M284 WeakPolarHBondContact O-CG 3.35Å; I280-M284 PolarHBondContact O-N 2.88Å; D281-M284 PolarHBondContact O-N 3.33Å; M284-L287 WeakPolarHBondContact O-CB 3.21Å; M284-L287 PolarHBondContact O-N 3Å; M284-L287 HydrophobicContact SD-CD2 4.21Å; M284-M288 WeakPolarHBondContact O-CB 3.45Å; M284-M288 PolarHBondContact O-N 3.3Å
285S92.9Very high91.4Very high0 Ų046.2 Ų46.20%024%0.235CC..Hα-helixtrans-63.2-44.5171.8-55.10000112.6S36 D281 P282 S283 L287 M288 V289S36-S285 VanDerWaalsContact CA-OG 3.28Å; S36-S285 WeakPolarHBondContact CA-OG 3.3Å; S36-S285 PolarHBondContact N-OG 3.43Å; S36-S285 VanDerWaalsContact N-OG 3.16Å; D281-S285 WeakPolarHBondContact O-CB 3.3Å; D281-S285 PolarHBondContact O-N 2.92Å; D281-S285 PolarHBondContact O-OG 2.83Å; P282-S285 PolarHBondContact O-N 2.86Å; S283-S285 VanDerWaalsContact C-N 3.32Å; S285-L287 VanDerWaalsContact C-N 3.34Å; S285-M288 PolarHBondContact O-N 3.47Å; S285-V289 WeakPolarHBondContact O-CG2 3.41Å; S285-V289 PolarHBondContact O-N 3.45Å
286I94.3Very high91.5Very high49 Ų4941.7 Ų41.725%0.25121%0.211SC..Hα-helixtrans-64.5-40.1175.2-68-178.4000110.9L96 A99 I100 F103 P282 S283 V289 T290L96-I286 HydrophobicContact CD1-CD1 4.39Å; L96-I286 HydrophobicContact CD1-CG1 4.01Å; L96-I286 HydrophobicContact CD1-CG2 4.41Å; A99-I286 HydrophobicContact CB-CD1 4.37Å; A99-I286 HydrophobicContact CB-CG1 3.73Å; I100-I286 HydrophobicContact CG1-CD1 4.41Å; F103-I286 HydrophobicContact CD2-CD1 4.15Å; F103-I286 HydrophobicContact CE2-CD1 3.62Å; P282-I286 WeakPolarHBondContact O-CG1 3.43Å; P282-I286 PolarHBondContact O-N 3.46Å; S283-I286 PolarHBondContact O-N 3.28Å; I286-V289 PolarHBondContact O-N 3.4Å; I286-T290 VanDerWaalsContact O-CB 3.32Å; I286-T290 WeakPolarHBondContact O-CB 3.46Å; I286-T290 PolarHBondContact O-N 2.83Å; I286-T290 PolarHBondContact O-OG1 2.99Å
287L93.8Very high91.6Very high84 Ų8439.8 Ų39.844%0.4421%0.21SC..Hα-helixtrans-59.7-47.6175.7177.261.2000111.4I254 S283 M284 S285 T290 I291I254-L287 HydrophobicContact CD1-CG 4.36Å; S283-L287 PolarHBondContact O-N 3.43Å; M284-L287 WeakPolarHBondContact O-CB 3.21Å; M284-L287 PolarHBondContact O-N 3Å; M284-L287 HydrophobicContact SD-CD2 4.21Å; S285-L287 VanDerWaalsContact C-N 3.34Å; L287-T290 PolarHBondContact O-N 3.18Å; L287-I291 HydrophobicContact CD1-CD1 4.1Å; L287-I291 HydrophobicContact CG-CD1 4.11Å; L287-I291 WeakPolarHBondContact O-CG1 3.47Å; L287-I291 PolarHBondContact O-N 3.38Å
288M90.7Very high91.6Very high5 Ų542 Ų423%0.02523%0.226CC..Hα-helixtrans-57-53.8176.4-167.9-155.3-178.400111.5A39 D40 H43 I254 M284 S285 T290 I291 I292A39-M288 HydrophobicContact CB-SD 3.76Å; D40-M288 HydrophobicContact CB-CE 4.09Å; D40-M288 WeakPolarHBondContact OD1-CE 3.41Å; H43-M288 HydrophobicContact CB-CE 3.72Å; I254-M288 HydrophobicContact CD1-CB 3.92Å; I254-M288 HydrophobicContact CD1-CG 4.22Å; I254-M288 HydrophobicContact CG2-CB 4.36Å; M284-M288 WeakPolarHBondContact O-CB 3.45Å; M284-M288 PolarHBondContact O-N 3.3Å; S285-M288 PolarHBondContact O-N 3.47Å; M288-T290 VanDerWaalsContact C-N 3.27Å; M288-T290 PolarHBondContact O-N 3.05Å; M288-I291 PolarHBondContact O-N 3.35Å; M288-I291 VanDerWaalsContact O-N 3.14Å; M288-I292 HydrophobicContact CE-CD1 4.04Å; M288-I292 HydrophobicContact CG-CD1 3.96Å; M288-I292 WeakPolarHBondContact O-CD1 3.24Å; M288-I292 WeakPolarHBondContact O-CG1 3.38Å; M288-I292 PolarHBondContact O-N 3.33Å; M288-I292 HydrophobicContact SD-CD1 4.28Å
289V92.6Very high91.4Very high1 Ų144.2 Ų44.21%0.00624%0.237CC..Hα-helixtrans-60.2-37.8179.1171.80000111.8C92 I95 L96 S285 I286 I292 L293C92-V289 HydrophobicContact CB-CG1 3.87Å; I95-V289 HydrophobicContact CB-CG2 3.84Å; I95-V289 HydrophobicContact CG2-CG2 3.49Å; I95-V289 VanDerWaalsContact CG2-CG2 3.49Å; L96-V289 HydrophobicContact CB-CG1 4.25Å; S285-V289 WeakPolarHBondContact O-CG2 3.41Å; S285-V289 PolarHBondContact O-N 3.45Å; I286-V289 PolarHBondContact O-N 3.4Å; V289-I292 PolarHBondContact O-N 2.95Å; V289-L293 HydrophobicContact CG1-CD1 3.79Å; V289-L293 HydrophobicContact CG1-CG 4.15Å; V289-L293 WeakPolarHBondContact O-CB 3.11Å; V289-L293 WeakPolarHBondContact O-CG 3.17Å; V289-L293 PolarHBondContact O-N 3.45Å
290T93Very high91.2Very high64 Ų6442.2 Ų42.239%0.39323%0.232SC..Hα-helixtrans-63.2-43177.2-590000111.4I286 L287 M288 L293 I294I286-T290 VanDerWaalsContact O-CB 3.32Å; I286-T290 WeakPolarHBondContact O-CB 3.46Å; I286-T290 PolarHBondContact O-N 2.83Å; I286-T290 PolarHBondContact O-OG1 2.99Å; L287-T290 PolarHBondContact O-N 3.18Å; M288-T290 VanDerWaalsContact C-N 3.27Å; M288-T290 PolarHBondContact O-N 3.05Å; T290-L293 PolarHBondContact O-N 2.85Å; T290-I294 HydrophobicContact CG2-CD1 3.91Å; T290-I294 WeakPolarHBondContact O-CB 2.78Å; T290-I294 WeakPolarHBondContact O-CD1 3.47Å; T290-I294 VanDerWaalsContact O-CG1 3.23Å; T290-I294 WeakPolarHBondContact O-CG1 3.44Å; T290-I294 PolarHBondContact O-N 2.72Å
291I90.6Very high91.2Very high59 Ų5947.7 Ų47.730%0.30325%0.252SS..Hα-helixtrans-62-45.4176-68.3162000110.8I254 L287 M288 I294 T295I254-I291 HydrophobicContact CD1-CD1 3.93Å; L287-I291 HydrophobicContact CD1-CD1 4.1Å; L287-I291 HydrophobicContact CG-CD1 4.11Å; L287-I291 WeakPolarHBondContact O-CG1 3.47Å; L287-I291 PolarHBondContact O-N 3.38Å; M288-I291 PolarHBondContact O-N 3.35Å; M288-I291 VanDerWaalsContact O-N 3.14Å; I291-I294 PolarHBondContact O-N 3.27Å; I291-T295 PolarHBondContact O-N 2.84Å
292I88.1Confident91Very high8 Ų853.8 Ų53.84%0.04128%0.278CS..Hα-helixtrans-63.9-42.8178.5-60.1155.9000111.3H43 L88 C92 M288 V289 I294 T295 A296H43-I292 WeakPolarHBondContact CD2-CD1 3.36Å; L88-I292 HydrophobicContact CD1-CG2 3.86Å; L88-I292 HydrophobicContact CD2-CG2 4.05Å; L88-I292 HydrophobicContact CG-CG2 4.03Å; C92-I292 WeakPolarHBondContact SG-CG2 3.3Å; M288-I292 HydrophobicContact CE-CD1 4.04Å; M288-I292 HydrophobicContact CG-CD1 3.96Å; M288-I292 WeakPolarHBondContact O-CD1 3.24Å; M288-I292 WeakPolarHBondContact O-CG1 3.38Å; M288-I292 PolarHBondContact O-N 3.33Å; M288-I292 HydrophobicContact SD-CD1 4.28Å; V289-I292 PolarHBondContact O-N 2.95Å; I292-I294 PolarHBondContact O-N 2.97Å; I292-T295 PolarHBondContact O-N 3.03Å; I292-T295 PolarHBondContact O-OG1 2.97Å; I292-A296 VanDerWaalsContact O-CB 3.22Å; I292-A296 WeakPolarHBondContact O-CB 3.22Å; I292-A296 PolarHBondContact O-N 3.03Å
293L91.5Very high90.8Very high23 Ų2354 Ų5412%0.1228%0.28CS..Hα-helixtrans-66.3-36.9178.3-72.8174.7000112.4I89 C92 M93 V289 T290 T295 A296 I297I89-L293 HydrophobicContact CG1-CD2 4.1Å; I89-L293 HydrophobicContact CG2-CD2 4.43Å; C92-L293 HydrophobicContact CB-CD2 3.76Å; C92-L293 HydrophobicContact CB-CG 4.06Å; M93-L293 HydrophobicContact CE-CD1 4.08Å; M93-L293 HydrophobicContact CE-CD2 4.34Å; V289-L293 HydrophobicContact CG1-CD1 3.79Å; V289-L293 HydrophobicContact CG1-CG 4.15Å; V289-L293 WeakPolarHBondContact O-CB 3.11Å; V289-L293 WeakPolarHBondContact O-CG 3.17Å; V289-L293 PolarHBondContact O-N 3.45Å; T290-L293 PolarHBondContact O-N 2.85Å; L293-T295 VanDerWaalsContact C-N 3.27Å; L293-T295 PolarHBondContact O-N 2.95Å; L293-A296 PolarHBondContact O-N 3.27Å; L293-I297 HydrophobicContact CB-CD1 4.28Å; L293-I297 WeakPolarHBondContact O-CB 3.24Å; L293-I297 WeakPolarHBondContact O-CD1 3.43Å; L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.4Å; L293-I297 PolarHBondContact O-N 3.34Å
294I91.5Very high90.8Very high116 Ų11653.9 Ų53.960%0.59528%0.277SS*.Hα-helixtrans-62-33.7176.2-73.4166.5000111.7T290 I291 I292 P298T290-I294 HydrophobicContact CG2-CD1 3.91Å; T290-I294 WeakPolarHBondContact O-CB 2.78Å; T290-I294 WeakPolarHBondContact O-CD1 3.47Å; T290-I294 VanDerWaalsContact O-CG1 3.23Å; T290-I294 WeakPolarHBondContact O-CG1 3.44Å; T290-I294 PolarHBondContact O-N 2.72Å; I291-I294 PolarHBondContact O-N 3.27Å; I292-I294 PolarHBondContact O-N 2.97Å; I294-P298 WeakPolarHBondContact O-CD 3.36Å; I294-P298 VanDerWaalsContact O-CG 3.32Å; I294-P298 WeakPolarHBondContact O-CG 3.45Å
295T85.5Confident90.8Very high73 Ų7354.9 Ų54.945%0.44828%0.283SS..Hα-helixtrans-85.8-36.7176.660.30000112.7I291 I292 L293I291-T295 PolarHBondContact O-N 2.84Å; I292-T295 PolarHBondContact O-N 3.03Å; I292-T295 PolarHBondContact O-OG1 2.97Å; L293-T295 VanDerWaalsContact C-N 3.27Å; L293-T295 PolarHBondContact O-N 2.95Å
296A87.7Confident90.7Very high3 Ų355.7 Ų55.73%0.02529%0.287CS..Hα-helixtrans-70.8-43.3-178.100000113.6T85 L88 I89 I292 L293 L299 M300T85-A296 HydrophobicContact CG2-CB 4.14Å; T85-A296 WeakPolarHBondContact CG2-O 3.48Å; L88-A296 HydrophobicContact CD2-CB 3.85Å; I89-A296 HydrophobicContact CG1-CB 4.34Å; I292-A296 VanDerWaalsContact O-CB 3.22Å; I292-A296 WeakPolarHBondContact O-CB 3.22Å; I292-A296 PolarHBondContact O-N 3.03Å; L293-A296 PolarHBondContact O-N 3.27Å; A296-L299 WeakPolarHBondContact O-CB 3.48Å; A296-L299 PolarHBondContact O-N 3.41Å; A296-L299 VanDerWaalsContact O-N 3.1Å; A296-M300 PolarHBondContact O-N 3.29Å
297I91.3Very high90.7Very high88 Ų8855.9 Ų55.945%0.45129%0.288SS..Hα-helixtrans-61.4-46.1-174.9-68.9166.7000112.5L293 L299 M300 Y301L293-I297 HydrophobicContact CB-CD1 4.28Å; L293-I297 WeakPolarHBondContact O-CB 3.24Å; L293-I297 WeakPolarHBondContact O-CD1 3.43Å; L293-I297 VanDerWaalsContact O-CG1 3.27Å; L293-I297 WeakPolarHBondContact O-CG1 3.4Å; L293-I297 PolarHBondContact O-N 3.34Å; I297-L299 VanDerWaalsContact C-N 3.26Å; I297-L299 PolarHBondContact O-N 3.4Å; I297-M300 PolarHBondContact O-N 3.23Å; I297-Y301 PolarHBondContact O-N 3.46Å
298P89.7Confident90.7Very high64 Ų6457.7 Ų57.742%0.41630%0.298SS..Hα-helixtrans-63.5-28.3174.4-24.235.3000114.1I294 K302I294-P298 WeakPolarHBondContact O-CD 3.36Å; I294-P298 VanDerWaalsContact O-CG 3.32Å; I294-P298 WeakPolarHBondContact O-CG 3.45Å; P298-K302 WeakPolarHBondContact O-CG 3.33Å; P298-K302 PolarHBondContact O-N 3.02Å
299L84.3Confident90.9Very high74 Ų7462.2 Ų62.239%0.38732%0.319SS..Hα-helixtrans-72.8-45.9175.8-170.966.4000110.8A296 I297 Y301 K302 A303A296-L299 WeakPolarHBondContact O-CB 3.48Å; A296-L299 PolarHBondContact O-N 3.41Å; A296-L299 VanDerWaalsContact O-N 3.1Å; I297-L299 VanDerWaalsContact C-N 3.26Å; I297-L299 PolarHBondContact O-N 3.4Å; L299-Y301 VanDerWaalsContact C-N 3.33Å; L299-Y301 PolarHBondContact O-N 3.24Å; L299-K302 PolarHBondContact O-N 3.47Å; L299-A303 PolarHBondContact O-N 3.47Å; L299-A303 VanDerWaalsContact O-N 3.08Å
300M90.4Very high91Very high56 Ų5664 Ų6428%0.27633%0.332SS..Hα-helixtrans-55.1-49173.2-172.517559.900111L82 T85 I89 A296 I297 K302 A303 T304L82-M300 HydrophobicContact CD1-CG 3.88Å; T85-M300 HydrophobicContact CG2-CB 3.67Å; T85-M300 HydrophobicContact CG2-CG 4.4Å; I89-M300 HydrophobicContact CD1-CE 3.83Å; I89-M300 HydrophobicContact CD1-SD 3.59Å; I89-M300 VanDerWaalsContact CD1-SD 3.59Å; A296-M300 PolarHBondContact O-N 3.29Å; I297-M300 PolarHBondContact O-N 3.23Å; M300-K302 VanDerWaalsContact C-N 3.34Å; M300-K302 PolarHBondContact O-N 2.9Å; M300-A303 PolarHBondContact O-N 2.72Å; M300-T304 WeakPolarHBondContact O-CB 3.36Å; M300-T304 PolarHBondContact O-N 3.47Å; M300-T304 PolarHBondContact O-OG1 2.83Å
301Y92.2Very high91.1Very high149 Ų14964.2 Ų64.258%0.58433%0.332SS*.Hα-helixtrans-57.6-45-179.5-177.6-109.4000112.2I297 L299 T304 L305I297-Y301 PolarHBondContact O-N 3.46Å; L299-Y301 VanDerWaalsContact C-N 3.33Å; L299-Y301 PolarHBondContact O-N 3.24Å; Y301-T304 PolarHBondContact O-N 3.12Å; Y301-L305 HydrophobicContact CD1-CD1 3.97Å; Y301-L305 HydrophobicContact CD1-CG 4.44Å; Y301-L305 HydrophobicContact CE1-CD1 3.43Å; Y301-L305 VanDerWaalsContact CE1-CD1 3.43Å; Y301-L305 HydrophobicContact CE1-CG 4.11Å; Y301-L305 HydrophobicContact CE2-CD1 4.39Å; Y301-L305 HydrophobicContact CE2-CD2 4.24Å; Y301-L305 HydrophobicContact CE2-CG 4.23Å; Y301-L305 WeakPolarHBondContact O-CG 3.36Å; Y301-L305 PolarHBondContact O-N 3.21Å
302K89.5Confident91.1Very high133 Ų13361.7 Ų61.758%0.57832%0.32SS*.Hα-helixtrans-62.5-44176.5-72.6170.6-176173.60112.6P298 L299 M300 I306P298-K302 WeakPolarHBondContact O-CG 3.33Å; P298-K302 PolarHBondContact O-N 3.02Å; L299-K302 PolarHBondContact O-N 3.47Å; M300-K302 VanDerWaalsContact C-N 3.34Å; M300-K302 PolarHBondContact O-N 2.9Å; K302-I306 WeakPolarHBondContact O-CG1 3.41Å; K302-I306 PolarHBondContact O-N 2.94Å
303A89.2Confident91.1Very high5 Ų567 Ų674%0.04136%0.358CS..Hα-helixtrans-63.9-44.4177.200000111.5V78 L82 L299 M300 I306 L307V78-A303 HydrophobicContact CG1-CB 4.27Å; V78-A303 WeakPolarHBondContact CG1-O 3.5Å; L82-A303 HydrophobicContact CB-CB 4.3Å; L299-A303 PolarHBondContact O-N 3.47Å; L299-A303 VanDerWaalsContact O-N 3.08Å; M300-A303 PolarHBondContact O-N 2.72Å; A303-I306 PolarHBondContact O-N 2.97Å; A303-L307 PolarHBondContact O-N 2.97Å
304T94.1Very high90.9Very high47 Ų4770.4 Ų70.429%0.28837%0.373SS..Hα-helixtrans-62.7-43.7178.2-60.20000112.2M300 Y301 I306 L307 L308M300-T304 WeakPolarHBondContact O-CB 3.36Å; M300-T304 PolarHBondContact O-N 3.47Å; M300-T304 PolarHBondContact O-OG1 2.83Å; Y301-T304 PolarHBondContact O-N 3.12Å; T304-I306 VanDerWaalsContact C-N 3.28Å; T304-I306 PolarHBondContact O-N 3.45Å; T304-L307 PolarHBondContact O-N 3.44Å; T304-L308 HydrophobicContact CG2-CD1 3.8Å; T304-L308 HydrophobicContact CG2-CG 4.18Å; T304-L308 WeakPolarHBondContact O-CB 3.27Å; T304-L308 WeakPolarHBondContact O-CG 3.22Å; T304-L308 PolarHBondContact O-N 3.01Å
305L93.5Very high90.9Very high51 Ų5165.5 Ų65.527%0.26735%0.348SS..Hα-helixtrans-58.9-36.4176.1-75.8-177.6000113.1Y301 L308 Q309 S310Y301-L305 HydrophobicContact CD1-CD1 3.97Å; Y301-L305 HydrophobicContact CD1-CG 4.44Å; Y301-L305 HydrophobicContact CE1-CD1 3.43Å; Y301-L305 VanDerWaalsContact CE1-CD1 3.43Å; Y301-L305 HydrophobicContact CE1-CG 4.11Å; Y301-L305 HydrophobicContact CE2-CD1 4.39Å; Y301-L305 HydrophobicContact CE2-CD2 4.24Å; Y301-L305 HydrophobicContact CE2-CG 4.23Å; Y301-L305 WeakPolarHBondContact O-CG 3.36Å; Y301-L305 PolarHBondContact O-N 3.21Å; L305-L308 CarbonylContact O-C 3.6Å; L305-L308 PolarHBondContact O-N 3.06Å; L305-Q309 PolarHBondContact O-N 2.97Å; L305-S310 WeakPolarHBondContact CD2-OG 3.4Å; L305-S310 WeakPolarHBondContact O-CB 3.42Å; L305-S310 PolarHBondContact O-N 3.18Å; L305-S310 PolarHBondContact O-OG 3.16Å
306I91.9Very high91.3Very high18 Ų1865.5 Ų65.59%0.09235%0.35CS..Hα-helixtrans-68.4-41.9177.1-64.3167.1000110.7V78 K302 A303 T304 Q309 R340V78-I306 HydrophobicContact CB-CG2 4.48Å; V78-I306 HydrophobicContact CG1-CB 3.94Å; V78-I306 HydrophobicContact CG1-CD1 4.48Å; V78-I306 HydrophobicContact CG1-CG2 3.93Å; V78-I306 HydrophobicContact CG2-CG2 3.88Å; K302-I306 WeakPolarHBondContact O-CG1 3.41Å; K302-I306 PolarHBondContact O-N 2.94Å; A303-I306 PolarHBondContact O-N 2.97Å; T304-I306 VanDerWaalsContact C-N 3.28Å; T304-I306 PolarHBondContact O-N 3.45Å; I306-Q309 PolarHBondContact O-N 2.91Å; I306-Q309 VanDerWaalsContact O-N 3.15Å; I306-R340 HydrophobicContact CG1-CB 4.39Å; I306-R340 HydrophobicContact CG1-CG 4.26Å
307L93.2Very high91.6Very high53 Ų5368.1 Ų68.128%0.27736%0.364SS..Hα-helixtrans-68.1-35.3176-65.1177.2000112.5V78 M79 L82 A303 T304 Q309V78-L307 HydrophobicContact CB-CD2 4.38Å; V78-L307 HydrophobicContact CG1-CD2 4.04Å; V78-L307 HydrophobicContact CG1-CG 3.93Å; M79-L307 HydrophobicContact SD-CD1 4.13Å; L82-L307 HydrophobicContact CB-CD1 4.46Å; L82-L307 HydrophobicContact CD2-CD1 3.52Å; A303-L307 PolarHBondContact O-N 2.97Å; T304-L307 PolarHBondContact O-N 3.44Å; L307-Q309 PolarHBondContact O-N 3.16Å
308L95.2Very high91.7Very high122 Ų12268.9 Ų68.964%0.63937%0.372SS*.THydrogen-bonded Turntrans-73.74.4171.8-68.4176.8000113.8T304 L305 S310T304-L308 HydrophobicContact CG2-CD1 3.8Å; T304-L308 HydrophobicContact CG2-CG 4.18Å; T304-L308 WeakPolarHBondContact O-CB 3.27Å; T304-L308 WeakPolarHBondContact O-CG 3.22Å; T304-L308 PolarHBondContact O-N 3.01Å; L305-L308 CarbonylContact O-C 3.6Å; L305-L308 PolarHBondContact O-N 3.06Å; L308-S310 PolarHBondContact O-N 2.94Å
309Q94.5Very high91.9Very high99 Ų9969.8 Ų69.846%0.46337%0.373SS..THydrogen-bonded Turntrans57.433.1177.2-44.7-173.122.400113.1L305 I306 L307 W339L305-Q309 PolarHBondContact O-N 2.97Å; I306-Q309 PolarHBondContact O-N 2.91Å; I306-Q309 VanDerWaalsContact O-N 3.15Å; L307-Q309 PolarHBondContact O-N 3.16Å; Q309-W339 HydrophobicContact CB-CB 4.1Å; Q309-W339 HydrophobicContact CB-CG 4.29Å; Q309-W339 WeakPolarHBondContact O-CB 3.19Å
310S93.9Very high92.4Very high40 Ų4066.2 Ų66.228%0.2836%0.355SS..PPolyproline II helixtrans-70.3152.6-179.4-61.40000112.2L305 L308L305-S310 WeakPolarHBondContact CD2-OG 3.4Å; L305-S310 WeakPolarHBondContact O-CB 3.42Å; L305-S310 PolarHBondContact O-N 3.18Å; L305-S310 PolarHBondContact O-OG 3.16Å; L308-S310 PolarHBondContact O-N 2.94Å
311V94.1Very high92.6Very high67 Ų6767.5 Ų67.541%0.40636%0.359SS..PPolyproline II helixtrans-60.1131.1172.2-173.20000108.8S313 V338V311-S313 PolarHBondContact O-N 2.86Å; V311-V338 WeakPolarHBondContact CA-O 3.13Å; V311-V338 WeakPolarHBondContact CG2-O 3.4Å
312P91.7Very high92.8Very high6 Ų663.6 Ų63.64%0.03935%0.351CS..PPolyproline II helixtrans-62.8133.6174.326.1-34.4000110.8E314 I315 V338 I346P312-E314 PolarHBondContact O-N 3.03Å; P312-I315 HydrophobicContact CG-CB 4.25Å; P312-I315 HydrophobicContact CG-CD1 3.76Å; P312-I315 HydrophobicContact CG-CG1 3.98Å; P312-I315 PolarHBondContact O-N 3.48Å; P312-V338 HydrophobicContact CG-CG1 4.45Å; P312-I346 HydrophobicContact CB-CD1 4.39Å; P312-I346 HydrophobicContact CG-CD1 4.02Å; P312-I346 HydrophobicContact CG-CG1 4.36Å; P312-I346 HydrophobicContact CG-CG2 4.02Å
313S87.7Confident93Very high120 Ų12061.7 Ų61.784%0.83934%0.34SS*.THydrogen-bonded Turntrans-62.8-14-177.360.40000114.2V311 I315V311-S313 PolarHBondContact O-N 2.86Å; S313-I315 VanDerWaalsContact C-N 3.29Å
314E88.3Confident93.3Very high94 Ų9461.5 Ų61.544%0.43934%0.338SS..THydrogen-bonded Turntrans-76.4-10.1173.4-58.399.3157.400114.1R233 P312 R340R233-E314 IonicContact CZ-OE1 3.27Å; R233-E314 IonicContact NH1-OE1 2.72Å; R233-E314 PolarHBondContact NH1-OE1 3.2Å; R233-E314 IonicContact NH2-OE1 2.72Å; R233-E314 PolarHBondContact NH2-OE1 3.39Å; P312-E314 PolarHBondContact O-N 3.03Å; E314-R340 IonicContact OE1-NH2 3.55Å; E314-R340 IonicContact OE2-CZ 3.39Å; E314-R340 IonicContact OE2-NH2 3.41Å; E314-R340 PolarHBondContact OE2-NH2 3.22Å
315I91.2Very high93.2Very high13 Ų1363.1 Ų63.17%0.06734%0.342CS..  trans-115.4115.7-176.6-61.1-176000110.7P312 S313 L317 L320 V338 I346 F374 I376P312-I315 HydrophobicContact CG-CB 4.25Å; P312-I315 HydrophobicContact CG-CD1 3.76Å; P312-I315 HydrophobicContact CG-CG1 3.98Å; P312-I315 PolarHBondContact O-N 3.48Å; S313-I315 VanDerWaalsContact C-N 3.29Å; I315-L317 PolarHBondContact O-N 2.87Å; I315-L320 HydrophobicContact CG2-CD2 4.38Å; I315-V338 HydrophobicContact CD1-CG1 4.03Å; I315-I346 HydrophobicContact CD1-CD1 4.07Å; I315-I346 HydrophobicContact CD1-CG2 4.14Å; I315-F374 HydrophobicContact CD1-CB 4.49Å; I315-F374 WeakPolarHBondContact CD1-O 3.46Å; I315-F374 HydrophobicContact CG2-CD1 4.06Å; I315-I376 HydrophobicContact CD1-CD1 3.92Å; I315-I376 HydrophobicContact CD1-CG1 3.71Å
316C93.7Very high93.3Very high74 Ų7466.5 Ų66.550%0.536%0.361SS..  trans-81.1101.6167.9-176.80000109.9T318 N319 L320C316-T318 PolarHBondContact O-N 2.89Å; C316-N319 HydrophobicContact CB-CB 4.09Å; C316-N319 PolarHBondContact O-N 3.07Å; C316-N319 VanDerWaalsContact O-N 3.13Å; C316-L320 PolarHBondContact O-N 2.89Å; C316-L320 VanDerWaalsContact O-N 3.12Å
317L93.4Very high93.3Very high58 Ų5866.5 Ų66.530%0.30436%0.361SS..Hα-helixtrans-57.8-35.1-178.2-16468.5000112.5I315 K321 L336 V338I315-L317 PolarHBondContact O-N 2.87Å; L317-K321 VanDerWaalsContact O-CB 3.3Å; L317-K321 WeakPolarHBondContact O-CB 3.48Å; L317-K321 PolarHBondContact O-N 2.97Å; L317-L336 HydrophobicContact CD1-CD2 3.78Å; L317-L336 HydrophobicContact CD1-CG 3.93Å; L317-L336 HydrophobicContact CG-CD2 4.14Å; L317-V338 HydrophobicContact CD1-CB 4.26Å; L317-V338 HydrophobicContact CD1-CG2 3.82Å
318T94Very high93.3Very high103 Ų10371.2 Ų71.263%0.63239%0.386SS*.Hα-helixtrans-63.6-45.6176.5-44.90000111.8C316 K321 T322C316-T318 PolarHBondContact O-N 2.89Å; T318-K321 PolarHBondContact O-N 3.5Å; T318-T322 PolarHBondContact O-N 2.85Å; T318-T322 PolarHBondContact O-OG1 2.93Å; T318-T322 VanDerWaalsContact O-OG1 3.12Å
319N94.2Very high93Very high83 Ų8367.2 Ų67.244%0.44437%0.374SS..Hα-helixtrans-65.5-44179-171.6-75.7000111.2C316 T322 R323 F374C316-N319 HydrophobicContact CB-CB 4.09Å; C316-N319 PolarHBondContact O-N 3.07Å; C316-N319 VanDerWaalsContact O-N 3.13Å; N319-T322 PolarHBondContact O-N 2.88Å; N319-R323 WeakPolarHBondContact O-CB 3.14Å; N319-R323 WeakPolarHBondContact O-CG 3.37Å; N319-R323 PolarHBondContact O-N 3.2Å; N319-R323 WeakPolarHBondContact OD1-CD 3.33Å; N319-F374 WeakPolarHBondContact OD1-CZ 3.34Å
320L94.9Very high92.9Very high0 Ų063.4 Ų63.40%036%0.357CS..Hα-helixtrans-57.5-49.7174.117658000110.8I315 C316 R323 M324 V338 L370 F371 F374 I376I315-L320 HydrophobicContact CG2-CD2 4.38Å; C316-L320 PolarHBondContact O-N 2.89Å; C316-L320 VanDerWaalsContact O-N 3.12Å; L320-R323 PolarHBondContact O-N 3.42Å; L320-M324 HydrophobicContact CD1-CG 4.23Å; L320-M324 HydrophobicContact CD1-SD 3.86Å; L320-M324 HydrophobicContact CG-SD 3.94Å; L320-M324 VanDerWaalsContact O-CG 3.24Å; L320-M324 WeakPolarHBondContact O-CG 3.3Å; L320-M324 PolarHBondContact O-N 3.47Å; L320-V338 HydrophobicContact CD2-CG2 4.15Å; L320-L370 HydrophobicContact CD1-CD2 4.4Å; L320-L370 HydrophobicContact CD1-CG 4.03Å; L320-F371 HydrophobicContact CD1-CD1 4.29Å; L320-F371 HydrophobicContact CD2-CD1 4.18Å; L320-F371 HydrophobicContact CD2-CE1 4.05Å; L320-F374 HydrophobicContact CB-CD1 4.44Å; L320-F374 HydrophobicContact CB-CE1 4.12Å; L320-F374 HydrophobicContact CB-CE2 4.36Å; L320-F374 HydrophobicContact CB-CZ 4.07Å; L320-F374 HydrophobicContact CD1-CD2 3.75Å; L320-F374 HydrophobicContact CD1-CE2 3.9Å; L320-F374 HydrophobicContact CD1-CG 4.2Å; L320-F374 HydrophobicContact CD1-CZ 4.46Å; L320-I376 HydrophobicContact CD2-CD1 3.9Å
321K95.1Very high92.7Very high83 Ų8366.6 Ų66.636%0.36137%0.367SS..Hα-helixtrans-58.2-52.4177.8-178.8177.4166.8177.10112.1L317 T318 R323 M324 E325 L336L317-K321 VanDerWaalsContact O-CB 3.3Å; L317-K321 WeakPolarHBondContact O-CB 3.48Å; L317-K321 PolarHBondContact O-N 2.97Å; T318-K321 PolarHBondContact O-N 3.5Å; K321-R323 VanDerWaalsContact C-N 3.3Å; K321-R323 PolarHBondContact O-N 3.18Å; K321-M324 CarbonylContact O-C 3.56Å; K321-M324 WeakPolarHBondContact O-CB 3.32Å; K321-M324 PolarHBondContact O-N 3.42Å; K321-E325 WeakPolarHBondContact CE-OE1 3.46Å; K321-E325 WeakPolarHBondContact CE-OE2 3.39Å; K321-E325 HydrophobicContact CG-CG 4.33Å; K321-E325 IonicContact NZ-OE1 3.73Å; K321-E325 PolarHBondContact NZ-OE1 3.29Å; K321-E325 WeakPolarHBondContact O-CG 3.41Å; K321-E325 PolarHBondContact O-N 2.93Å; K321-L336 HydrophobicContact CB-CD2 3.9Å; K321-L336 HydrophobicContact CG-CD2 4.48Å
322T94.6Very high92.6Very high66 Ų6668.6 Ų68.641%0.40537%0.371SS..Hα-helixtrans-61.4-37.9180-59.10000112.1T318 N319 M324 E325 N326T318-T322 PolarHBondContact O-N 2.85Å; T318-T322 PolarHBondContact O-OG1 2.93Å; T318-T322 VanDerWaalsContact O-OG1 3.12Å; N319-T322 PolarHBondContact O-N 2.88Å; T322-M324 VanDerWaalsContact C-N 3.31Å; T322-M324 PolarHBondContact O-N 3.41Å; T322-E325 PolarHBondContact O-N 3.48Å; T322-N326 PolarHBondContact O-N 2.93Å; T322-N326 PolarHBondContact O-ND2 3.15Å
323R95.2Very high92.7Very high94 Ų9468.8 Ų68.836%0.35537%0.371SS..Hα-helixtrans-67.8-29.8174.7-75.1-171.765.2-172.1-5113.3N319 L320 K321 L370 E373N319-R323 WeakPolarHBondContact O-CB 3.14Å; N319-R323 WeakPolarHBondContact O-CG 3.37Å; N319-R323 PolarHBondContact O-N 3.2Å; N319-R323 WeakPolarHBondContact OD1-CD 3.33Å; L320-R323 PolarHBondContact O-N 3.42Å; K321-R323 VanDerWaalsContact C-N 3.3Å; K321-R323 PolarHBondContact O-N 3.18Å; R323-L370 HydrophobicContact CB-CD1 4.19Å; R323-L370 HydrophobicContact CB-CD2 3.8Å; R323-L370 VanDerWaalsContact CZ-CD1 3.42Å; R323-E373 IonicContact CZ-OE1 3.31Å; R323-E373 IonicContact CZ-OE2 3.02Å; R323-E373 VanDerWaalsContact NH1-CD 3.25Å; R323-E373 IonicContact NH1-OE1 2.83Å; R323-E373 PolarHBondContact NH1-OE1 3.04Å; R323-E373 IonicContact NH1-OE2 3.58Å; R323-E373 PolarHBondContact NH1-OE2 3.06Å; R323-E373 IonicContact NH2-OE1 2.72Å; R323-E373 PolarHBondContact NH2-OE1 2.83Å; R323-E373 IonicContact NH2-OE2 3.47Å; R323-E373 PolarHBondContact NH2-OE2 3.27Å
324M93.9Very high92.9Very high0 Ų065.6 Ų65.60%034%0.343CS..Hα-helixtrans-75.5-41.1172.5-64.7169.368.500111.4L320 K321 T322 N326 I327 I330 I333 L336 V350 I352 V367 L370 F371L320-M324 HydrophobicContact CD1-CG 4.23Å; L320-M324 HydrophobicContact CD1-SD 3.86Å; L320-M324 HydrophobicContact CG-SD 3.94Å; L320-M324 VanDerWaalsContact O-CG 3.24Å; L320-M324 WeakPolarHBondContact O-CG 3.3Å; L320-M324 PolarHBondContact O-N 3.47Å; K321-M324 CarbonylContact O-C 3.56Å; K321-M324 WeakPolarHBondContact O-CB 3.32Å; K321-M324 PolarHBondContact O-N 3.42Å; T322-M324 VanDerWaalsContact C-N 3.31Å; T322-M324 PolarHBondContact O-N 3.41Å; M324-N326 PolarHBondContact O-N 2.89Å; M324-I327 WeakPolarHBondContact O-CB 3.23Å; M324-I327 PolarHBondContact O-N 3.32Å; M324-I330 WeakPolarHBondContact O-CD1 3.34Å; M324-I333 HydrophobicContact CB-CD1 3.24Å; M324-I333 HydrophobicContact CE-CD1 4.24Å; M324-I333 HydrophobicContact CG-CD1 4.46Å; M324-L336 HydrophobicContact CE-CD1 4.5Å; M324-L336 HydrophobicContact SD-CD1 4.23Å; M324-V350 HydrophobicContact CE-CB 4.13Å; M324-V350 HydrophobicContact CE-CG1 3.91Å; M324-V350 HydrophobicContact CE-CG2 3.69Å; M324-I352 HydrophobicContact CE-CD1 4.29Å; M324-V367 HydrophobicContact CE-CG1 3.66Å; M324-V367 HydrophobicContact CE-CG2 4.33Å; M324-L370 HydrophobicContact CB-CD2 4.3Å; M324-L370 HydrophobicContact CG-CD2 3.43Å; M324-L370 VanDerWaalsContact CG-CD2 3.43Å; M324-L370 HydrophobicContact CG-CG 4.41Å; M324-F371 HydrophobicContact CE-CE2 4.47Å; M324-F371 HydrophobicContact CE-CZ 4.12Å; M324-F371 HydrophobicContact SD-CE1 4.36Å; M324-F371 HydrophobicContact SD-CZ 4.43Å
325E93.8Very high93.1Very high81 Ų8165.3 Ų65.338%0.37934%0.344SS..Hα-helixtrans-62.9-20.4176.6-70.9175.5145.100113K321 T322 I333K321-E325 WeakPolarHBondContact CE-OE1 3.46Å; K321-E325 WeakPolarHBondContact CE-OE2 3.39Å; K321-E325 HydrophobicContact CG-CG 4.33Å; K321-E325 IonicContact NZ-OE1 3.73Å; K321-E325 PolarHBondContact NZ-OE1 3.29Å; K321-E325 WeakPolarHBondContact O-CG 3.41Å; K321-E325 PolarHBondContact O-N 2.93Å; T322-E325 PolarHBondContact O-N 3.48Å; E325-I333 HydrophobicContact CG-CD1 3.83Å; E325-I333 HydrophobicContact CG-CG1 4.13Å
326N94.2Very high93.3Very high122 Ų12265.8 Ų65.865%0.65235%0.347SS*.THydrogen-bonded Turntrans-86.95.7174.3-67.7-19.2000114.4T322 M324T322-N326 PolarHBondContact O-N 2.93Å; T322-N326 PolarHBondContact O-ND2 3.15Å; M324-N326 PolarHBondContact O-N 2.89Å
327I93.4Very high93.4Very high18 Ų1867.5 Ų67.59%0.09235%0.347CS..SBendtrans-85.3125.4175.3-63.6172.6000109.2M324 G329 I330 E366 V367 L370M324-I327 WeakPolarHBondContact O-CB 3.23Å; M324-I327 PolarHBondContact O-N 3.32Å; I327-G329 PolarHBondContact O-N 3.16Å; I327-I330 HydrophobicContact CB-CD1 3.98Å; I327-I330 HydrophobicContact CB-CG1 4.28Å; I327-I330 HydrophobicContact CD1-CD1 4.47Å; I327-I330 HydrophobicContact CG2-CD1 4.3Å; I327-I330 HydrophobicContact CG2-CG1 4.37Å; I327-I330 PolarHBondContact O-N 3.33Å; I327-E366 HydrophobicContact CD1-CB 4.28Å; I327-E366 HydrophobicContact CG2-CB 4.34Å; I327-V367 HydrophobicContact CD1-CG2 3.72Å; I327-L370 HydrophobicContact CD1-CD2 4.2Å
328D92.3Very high93.5Very high152 Ų15264.9 Ų64.981%0.81333%0.334SS*.THydrogen-bonded Turntrans-56.4133.2-177.9-71.6-38.5000112.1
329G89.4Confident93.6Very high38 Ų3861.8 Ų61.839%0.39231%0.311SS..THydrogen-bonded Turntrans88.6-12.2-179.300000115.5I327 H331I327-G329 PolarHBondContact O-N 3.16Å; G329-H331 PolarHBondContact O-N 3.31Å; G329-H331 PolarHBondContact O-ND1 2.87Å
330I92.2Very high93.5Very high19 Ų1959.4 Ų59.410%0.09730%0.295CS..  trans-73.4114.5168.1-65.2-168.9000109.4M324 I327 I333 I352 I363 V367M324-I330 WeakPolarHBondContact O-CD1 3.34Å; I327-I330 HydrophobicContact CB-CD1 3.98Å; I327-I330 HydrophobicContact CB-CG1 4.28Å; I327-I330 HydrophobicContact CD1-CD1 4.47Å; I327-I330 HydrophobicContact CG2-CD1 4.3Å; I327-I330 HydrophobicContact CG2-CG1 4.37Å; I327-I330 PolarHBondContact O-N 3.33Å; I330-I333 HydrophobicContact CD1-CD1 4.32Å; I330-I333 HydrophobicContact CG2-CD1 4.06Å; I330-I333 HydrophobicContact CG2-CG1 3.58Å; I330-I352 HydrophobicContact CB-CG2 4.3Å; I330-I352 HydrophobicContact CD1-CD1 4.11Å; I330-I352 HydrophobicContact CD1-CG2 3.69Å; I330-I352 HydrophobicContact CG1-CG2 3.66Å; I330-I352 HydrophobicContact CG2-CG2 3.94Å; I330-I363 HydrophobicContact CD1-CG2 3.62Å; I330-I363 HydrophobicContact CG1-CD1 4.26Å; I330-I363 HydrophobicContact CG1-CG1 4.4Å; I330-I363 HydrophobicContact CG1-CG2 3.49Å; I330-I363 VanDerWaalsContact CG1-CG2 3.49Å; I330-V367 HydrophobicContact CD1-CG2 3.99Å
331H90.1Very high93.2Very high108 Ų10859.7 Ų59.750%0.530%0.297SS..  trans-84.2-34.2177.5-71.659.2000111.7G329 R353 V355G329-H331 PolarHBondContact O-N 3.31Å; G329-H331 PolarHBondContact O-ND1 2.87Å; H331-R353 HydrophobicContact CB-CB 4.4Å; H331-R353 HydrophobicContact CB-CG 4.42Å; H331-R353 PolarHBondContact N-O 2.89Å; H331-V355 WeakPolarHBondContact CE1-CG2 3.34Å
332K92.3Very high92.8Very high109 Ų10957.4 Ų57.447%0.47429%0.288SS..EExtended strand (participates in β ladder)trans-163.8152.7179.6-156164.7167.2-171.20111.9H334 R353K332-H334 WeakPolarHBondContact CD-NE2 3.41Å; K332-H334 WeakPolarHBondContact CE-NE2 3.46Å; K332-H334 WeakPolarHBondContact CG-NE2 3.49Å; K332-R353 HydrophobicContact CB-CB 4.13Å; K332-R353 PolarHBondContact O-N 2.93Å
333I93.4Very high92.1Very high10 Ų1055 Ų555%0.05127%0.274CS..EExtended strand (participates in β ladder)trans-119.6133175.9-56.6-172.6000110.1M324 E325 I330 V350M324-I333 HydrophobicContact CB-CD1 3.24Å; M324-I333 HydrophobicContact CE-CD1 4.24Å; M324-I333 HydrophobicContact CG-CD1 4.46Å; E325-I333 HydrophobicContact CG-CD1 3.83Å; E325-I333 HydrophobicContact CG-CG1 4.13Å; I330-I333 HydrophobicContact CD1-CD1 4.32Å; I330-I333 HydrophobicContact CG2-CD1 4.06Å; I330-I333 HydrophobicContact CG2-CG1 3.58Å; I333-V350 HydrophobicContact CG2-CG2 3.47Å; I333-V350 VanDerWaalsContact CG2-CG2 3.47Å
334H90.3Very high91.4Very high52 Ų5256.6 Ų56.624%0.24129%0.289CS..EExtended strand (participates in β ladder)trans-130.2160.4-179-70.2-106.4000110.1K332 L336 H351K332-H334 WeakPolarHBondContact CD-NE2 3.41Å; K332-H334 WeakPolarHBondContact CE-NE2 3.46Å; K332-H334 WeakPolarHBondContact CG-NE2 3.49Å; H334-L336 PolarHBondContact O-N 3.17Å; H334-H351 HydrophobicContact CB-CB 3.96Å; H334-H351 PolarHBondContact N-O 3.06Å; H334-H351 PolarHBondContact O-N 3.47Å
335D93.1Very high91.1Very high88 Ų8857.2 Ų57.247%0.47129%0.293SS..EExtended strand (participates in β ladder)trans45.741.3167.6-56.2-10.7000115.3H337 H351D335-H337 PolarHBondContact O-CD2 2.96Å; D335-H337 PolarHBondContact O-N 3.11Å; D335-H337 VanDerWaalsContact O-N 3.16Å; D335-H351 HydrophobicContact CB-CB 4.49Å; D335-H351 IonicContact OD2-CE1 3.85Å; D335-H351 IonicContact OD2-ND1 3.81Å
336L95.7Very high91.1Very high24 Ų2453.9 Ų53.913%0.12628%0.278CS..EExtended strand (participates in β ladder)trans-73.7101.1173.517966.3000109.5L317 K321 M324 H334 V338 T349 V350 F371L317-L336 HydrophobicContact CD1-CD2 3.78Å; L317-L336 HydrophobicContact CD1-CG 3.93Å; L317-L336 HydrophobicContact CG-CD2 4.14Å; K321-L336 HydrophobicContact CB-CD2 3.9Å; K321-L336 HydrophobicContact CG-CD2 4.48Å; M324-L336 HydrophobicContact CE-CD1 4.5Å; M324-L336 HydrophobicContact SD-CD1 4.23Å; H334-L336 PolarHBondContact O-N 3.17Å; L336-V338 HydrophobicContact CD1-CG2 4.43Å; L336-T349 WeakPolarHBondContact CA-O 3.1Å; L336-V350 HydrophobicContact CB-CG2 4.25Å; L336-V350 HydrophobicContact CD1-CB 3.89Å; L336-V350 HydrophobicContact CD1-CG2 3.95Å; L336-F371 HydrophobicContact CD1-CE1 4.06Å; L336-F371 HydrophobicContact CD1-CZ 4.09Å
337H95.6Very high91.2Very high109 Ų10948.4 Ų48.451%0.50525%0.249SC..EExtended strand (participates in β ladder)trans-114.9133.9173.7-53.5-78.3000110.1D335 W339 G348 T349D335-H337 PolarHBondContact O-CD2 2.96Å; D335-H337 PolarHBondContact O-N 3.11Å; D335-H337 VanDerWaalsContact O-N 3.16Å; H337-W339 HydrophobicContact CB-CE3 4.17Å; H337-W339 HydrophobicContact CB-CZ3 4.08Å; H337-G348 CarbonylContact O-C 3.55Å; H337-G348 WeakPolarHBondContact O-CA 3.49Å; H337-T349 WeakPolarHBondContact CB-OG1 3.41Å; H337-T349 PolarHBondContact N-O 3.43Å; H337-T349 PolarHBondContact O-N 3.39Å
338V96Very high91.3Very high3 Ų347.6 Ų47.62%0.01824%0.244CC..EExtended strand (participates in β ladder)trans-131.6125.2175.8179.70000108.1V311 P312 I315 L317 L320 L336 I346 I347 I376V311-V338 WeakPolarHBondContact CA-O 3.13Å; V311-V338 WeakPolarHBondContact CG2-O 3.4Å; P312-V338 HydrophobicContact CG-CG1 4.45Å; I315-V338 HydrophobicContact CD1-CG1 4.03Å; L317-V338 HydrophobicContact CD1-CB 4.26Å; L317-V338 HydrophobicContact CD1-CG2 3.82Å; L320-V338 HydrophobicContact CD2-CG2 4.15Å; L336-V338 HydrophobicContact CD1-CG2 4.43Å; V338-I346 HydrophobicContact CG1-CG2 3.66Å; V338-I347 WeakPolarHBondContact CA-O 3.13Å; V338-I376 HydrophobicContact CG1-CD1 3.84Å; V338-I376 HydrophobicContact CG1-CG1 4.19Å; V338-I376 HydrophobicContact CG2-CD1 4.03Å
339W95.1Very high91.5Very high39 Ų3941.9 Ų41.915%0.14822%0.215CC..EExtended strand (participates in β ladder)trans-142.5154.1-1796995.7000112.4Q309 H337 I346 I347 T349Q309-W339 HydrophobicContact CB-CB 4.1Å; Q309-W339 HydrophobicContact CB-CG 4.29Å; Q309-W339 WeakPolarHBondContact O-CB 3.19Å; H337-W339 HydrophobicContact CB-CE3 4.17Å; H337-W339 HydrophobicContact CB-CZ3 4.08Å; W339-I346 WeakPolarHBondContact O-CA 3.35Å; W339-I347 HydrophobicContact CD2-CB 4.11Å; W339-I347 HydrophobicContact CH2-CB 4.25Å; W339-I347 HydrophobicContact CH2-CG2 3.63Å; W339-I347 HydrophobicContact CZ2-CB 3.79Å; W339-I347 HydrophobicContact CZ2-CD1 4.09Å; W339-I347 HydrophobicContact CZ2-CG1 4.5Å; W339-I347 HydrophobicContact CZ2-CG2 3.47Å; W339-I347 VanDerWaalsContact CZ2-CG2 3.47Å; W339-I347 HydrophobicContact CZ3-CG2 4.23Å; W339-I347 PolarHBondContact N-O 3.42Å; W339-I347 PolarHBondContact O-N 2.72Å; W339-T349 HydrophobicContact CH2-CG2 3.55Å; W339-T349 HydrophobicContact CZ3-CG2 3.66Å
340R92.6Very high91.8Very high32 Ų3240.1 Ų40.112%0.12120%0.196CC..EExtended strand (participates in β ladder)trans-87.4124.4175.1-167.4173.4-69.9-812.8109.4I306 E314 Q342 S343I306-R340 HydrophobicContact CG1-CB 4.39Å; I306-R340 HydrophobicContact CG1-CG 4.26Å; E314-R340 IonicContact OE1-NH2 3.55Å; E314-R340 IonicContact OE2-CZ 3.39Å; E314-R340 IonicContact OE2-NH2 3.41Å; E314-R340 PolarHBondContact OE2-NH2 3.22Å; R340-Q342 WeakPolarHBondContact CG-O 3.3Å; R340-S343 PolarHBondContact NH1-O 3.03Å
341L89Confident92Very high7 Ų741 Ų414%0.03720%0.2CC..EExtended strand (participates in β ladder)trans-82.7-41.6174.2176.163.9000111.3F71 Q74 R75 C345 I347F71-L341 HydrophobicContact CB-CD2 4.24Å; F71-L341 HydrophobicContact CD1-CD2 4.26Å; Q74-L341 VanDerWaalsContact OE1-CD2 3.31Å; R75-L341 HydrophobicContact CG-CD1 3.81Å; L341-C345 HydrophobicContact CB-CB 4.28Å; L341-C345 PolarHBondContact N-O 3.26Å; L341-I347 HydrophobicContact CB-CD1 3.98Å; L341-I347 HydrophobicContact CB-CG1 4.22Å; L341-I347 HydrophobicContact CD2-CD1 4.1Å; L341-I347 HydrophobicContact CG-CD1 4.46Å
342Q87Confident92.3Very high35 Ų3535.9 Ų35.916%0.16418%0.176CC..EExtended strand (participates in β ladder)trans-156174.617755.8162.7-7.100109.3Q74 V78 R340 N344 C345Q74-Q342 HydrophobicContact CB-CG 4.26Å; V78-Q342 HydrophobicContact CG2-CB 4.48Å; R340-Q342 WeakPolarHBondContact CG-O 3.3Å; Q342-N344 PolarHBondContact O-N 3.31Å; Q342-C345 HydrophobicContact CG-CB 3.6Å; Q342-C345 PolarHBondContact N-O 3.19Å; Q342-C345 PolarHBondContact O-N 3.49Å
343S78.7Confident92.3Very high16 Ų1634.6 Ų34.611%0.11217%0.168CC..THydrogen-bonded Turntrans-31.5-51.1177.4-40.90000113.9E77 M236 R340E77-S343 PolarHBondContact OE1-OG 3.21Å; M236-S343 VanDerWaalsContact SD-CB 3.56Å; M236-S343 PolarHBondContact SD-OG 3.17Å; R340-S343 PolarHBondContact NH1-O 3.03Å
344N81.3Confident92.2Very high126 Ų12634.1 Ų34.167%0.67417%0.166SC*.THydrogen-bonded Turntrans-118.125-174.4-63-10.4000114.2Q342Q342-N344 PolarHBondContact O-N 3.31Å
345C88.4Confident92.1Very high13 Ų1335.1 Ų35.19%0.08818%0.176CC..EExtended strand (participates in β ladder)trans-138.5119.7176.7-173.10000111.3L341 Q342L341-C345 HydrophobicContact CB-CB 4.28Å; L341-C345 PolarHBondContact N-O 3.26Å; Q342-C345 HydrophobicContact CG-CB 3.6Å; Q342-C345 PolarHBondContact N-O 3.19Å; Q342-C345 PolarHBondContact O-N 3.49Å
346I93.6Very high91.8Very high12 Ų1232.7 Ų32.76%0.06217%0.166CC..EExtended strand (participates in β ladder)trans-116.5133.2175.6-53.6168.9000107.8P312 I315 V338 W339 I376 H377 C378P312-I346 HydrophobicContact CB-CD1 4.39Å; P312-I346 HydrophobicContact CG-CD1 4.02Å; P312-I346 HydrophobicContact CG-CG1 4.36Å; P312-I346 HydrophobicContact CG-CG2 4.02Å; I315-I346 HydrophobicContact CD1-CD1 4.07Å; I315-I346 HydrophobicContact CD1-CG2 4.14Å; V338-I346 HydrophobicContact CG1-CG2 3.66Å; W339-I346 WeakPolarHBondContact O-CA 3.35Å; I346-I376 HydrophobicContact CB-CG1 4.47Å; I346-I376 HydrophobicContact CG2-CG1 3.84Å; I346-H377 PolarHBondContact O-N 2.87Å; I346-C378 PolarHBondContact O-N 3.12Å
347I94.9Very high91.5Very high7 Ų734.8 Ų34.84%0.03618%0.177CC..EExtended strand (participates in β ladder)trans-111.3140.8179.7-49.6-173.1000108.7F71 V338 W339 L341 C378F71-I347 HydrophobicContact CD1-CD1 4.07Å; F71-I347 HydrophobicContact CE1-CD1 3.66Å; F71-I347 HydrophobicContact CZ-CD1 4.21Å; V338-I347 WeakPolarHBondContact CA-O 3.13Å; W339-I347 HydrophobicContact CD2-CB 4.11Å; W339-I347 HydrophobicContact CH2-CB 4.25Å; W339-I347 HydrophobicContact CH2-CG2 3.63Å; W339-I347 HydrophobicContact CZ2-CB 3.79Å; W339-I347 HydrophobicContact CZ2-CD1 4.09Å; W339-I347 HydrophobicContact CZ2-CG1 4.5Å; W339-I347 HydrophobicContact CZ2-CG2 3.47Å; W339-I347 VanDerWaalsContact CZ2-CG2 3.47Å; W339-I347 HydrophobicContact CZ3-CG2 4.23Å; W339-I347 PolarHBondContact N-O 3.42Å; W339-I347 PolarHBondContact O-N 2.72Å; L341-I347 HydrophobicContact CB-CD1 3.98Å; L341-I347 HydrophobicContact CB-CG1 4.22Å; L341-I347 HydrophobicContact CD2-CD1 4.1Å; L341-I347 HydrophobicContact CG-CD1 4.46Å; I347-C378 CarbonylContact C-O 3.6Å; I347-C378 VanDerWaalsContact CA-O 3.3Å; I347-C378 WeakPolarHBondContact CA-O 3.39Å; I347-C378 HydrophobicContact CB-CB 4.43Å; I347-C378 HydrophobicContact CG1-CB 4.09Å; I347-C378 HydrophobicContact CG2-CB 4.19Å; I347-C378 WeakPolarHBondContact CG2-O 3.49Å
348G96Very high91.1Very high0 Ų033.3 Ų33.30%018%0.177CC..EExtended strand (participates in β ladder)trans-128.7132.3172.300000112H337 C378 T379 T380H337-G348 CarbonylContact O-C 3.55Å; H337-G348 WeakPolarHBondContact O-CA 3.49Å; G348-C378 PolarHBondContact N-O 3.35Å; G348-T379 CarbonylContact O-C 3.57Å; G348-T379 WeakPolarHBondContact O-CA 3.4Å; G348-T380 PolarHBondContact O-N 3.05Å; G348-T380 PolarHBondContact O-OG1 3.47Å
349T96.5Very high90.7Very high32 Ų3236.2 Ų36.220%0.19619%0.192CC..EExtended strand (participates in β ladder)trans-112.1146.6165.560.70000108.9L336 H337 W339 T380L336-T349 WeakPolarHBondContact CA-O 3.1Å; H337-T349 WeakPolarHBondContact CB-OG1 3.41Å; H337-T349 PolarHBondContact N-O 3.43Å; H337-T349 PolarHBondContact O-N 3.39Å; W339-T349 HydrophobicContact CH2-CG2 3.55Å; W339-T349 HydrophobicContact CZ3-CG2 3.66Å; T349-T380 CarbonylContact C-O 3.59Å; T349-T380 WeakPolarHBondContact CA-O 3.34Å; T349-T380 WeakPolarHBondContact CA-OG1 3.41Å; T349-T380 WeakPolarHBondContact CG2-OG1 3.47Å
350V96.9Very high90.6Very high1 Ų136.2 Ų36.21%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-153.7143.8170.8650000111.2M324 I333 L336 I352 V367 F371 T380 I381 Q382M324-V350 HydrophobicContact CE-CB 4.13Å; M324-V350 HydrophobicContact CE-CG1 3.91Å; M324-V350 HydrophobicContact CE-CG2 3.69Å; I333-V350 HydrophobicContact CG2-CG2 3.47Å; I333-V350 VanDerWaalsContact CG2-CG2 3.47Å; L336-V350 HydrophobicContact CB-CG2 4.25Å; L336-V350 HydrophobicContact CD1-CB 3.89Å; L336-V350 HydrophobicContact CD1-CG2 3.95Å; V350-I352 HydrophobicContact CG1-CD1 3.96Å; V350-I352 HydrophobicContact CG1-CG1 4.04Å; V350-I352 HydrophobicContact CG2-CD1 4.47Å; V350-I352 HydrophobicContact CG2-CG1 3.97Å; V350-V367 HydrophobicContact CG1-CG1 4.31Å; V350-F371 HydrophobicContact CB-CZ 4.04Å; V350-F371 HydrophobicContact CG1-CE2 3.74Å; V350-F371 HydrophobicContact CG1-CZ 3.7Å; V350-T380 PolarHBondContact N-O 3.28Å; V350-I381 HydrophobicContact CG1-CB 4.36Å; V350-I381 HydrophobicContact CG1-CG1 4.16Å; V350-I381 HydrophobicContact CG1-CG2 4.1Å; V350-I381 WeakPolarHBondContact O-CA 3.47Å; V350-Q382 PolarHBondContact O-N 3.45Å
351H96.1Very high90.5Very high38 Ų3838.9 Ų38.918%0.17621%0.209CC..EExtended strand (participates in β ladder)trans-104.6132.7169.4-68.4-159.7000109.1H334 D335 Q382 E384H334-H351 HydrophobicContact CB-CB 3.96Å; H334-H351 PolarHBondContact N-O 3.06Å; H334-H351 PolarHBondContact O-N 3.47Å; D335-H351 HydrophobicContact CB-CB 4.49Å; D335-H351 IonicContact OD2-CE1 3.85Å; D335-H351 IonicContact OD2-ND1 3.81Å; H351-Q382 WeakPolarHBondContact CA-O 3.3Å; H351-Q382 PolarHBondContact CE1-NE2 3.48Å; H351-E384 IonicContact CG-OE1 3.92Å; H351-E384 IonicContact ND1-OE1 3.35Å; H351-E384 PolarHBondContact ND1-OE1 3.12Å
352I95Very high90.6Very high0 Ų040.5 Ų40.50%022%0.22CC..EExtended strand (participates in β ladder)trans-130.8127-172.6-54.8-172.5000109.5M324 I330 V350 I363 V367 I381 Q382 E384M324-I352 HydrophobicContact CE-CD1 4.29Å; I330-I352 HydrophobicContact CB-CG2 4.3Å; I330-I352 HydrophobicContact CD1-CD1 4.11Å; I330-I352 HydrophobicContact CD1-CG2 3.69Å; I330-I352 HydrophobicContact CG1-CG2 3.66Å; I330-I352 HydrophobicContact CG2-CG2 3.94Å; V350-I352 HydrophobicContact CG1-CD1 3.96Å; V350-I352 HydrophobicContact CG1-CG1 4.04Å; V350-I352 HydrophobicContact CG2-CD1 4.47Å; V350-I352 HydrophobicContact CG2-CG1 3.97Å; I352-I363 HydrophobicContact CD1-CG2 4.5Å; I352-I363 HydrophobicContact CG2-CG2 4.19Å; I352-V367 HydrophobicContact CD1-CB 4.3Å; I352-V367 HydrophobicContact CD1-CG1 4.02Å; I352-V367 HydrophobicContact CD1-CG2 3.65Å; I352-I381 HydrophobicContact CD1-CG2 3.65Å; I352-I381 HydrophobicContact CG1-CG2 4.12Å; I352-Q382 PolarHBondContact N-O 2.92Å; I352-E384 PolarHBondContact O-N 3.3Å
353R93Very high90.9Very high82 Ų8239 Ų3931%0.30921%0.214SC..EExtended strand (participates in β ladder)trans-89.3122.2176.9-165.9162.6-62.5-179.10.1111.8H331 K332 E384H331-R353 HydrophobicContact CB-CB 4.4Å; H331-R353 HydrophobicContact CB-CG 4.42Å; H331-R353 PolarHBondContact N-O 2.89Å; K332-R353 HydrophobicContact CB-CB 4.13Å; K332-R353 PolarHBondContact O-N 2.93Å; R353-E384 CarbonylContact C-O 3.6Å; R353-E384 VanDerWaalsContact CA-O 3.26Å; R353-E384 WeakPolarHBondContact CA-O 3.46Å; R353-E384 IonicContact CZ-OE2 3.5Å; R353-E384 IonicContact NE-OE2 3.42Å; R353-E384 PolarHBondContact NE-OE2 3.21Å; R353-E384 IonicContact NH2-OE2 2.73Å; R353-E384 PolarHBondContact NH2-OE2 3.3Å
354C91Very high91.7Very high1 Ų139 Ų391%0.00722%0.215CC..EExtended strand (participates in β ladder)trans-130.7159.1-178.6-57.80000110.7I363 E384 F385 E386C354-I363 HydrophobicContact CB-CD1 4.45Å; C354-I363 VanDerWaalsContact SG-CD1 3.59Å; C354-E384 PolarHBondContact N-O 3.13Å; C354-F385 HydrophobicContact CB-CE1 4.5Å; C354-F385 WeakPolarHBondContact O-CA 3.49Å; C354-E386 PolarHBondContact O-N 3.06Å
355V88.5Confident92.2Very high72 Ų7241.1 Ų41.144%0.43621%0.213SC..SBendtrans-76-49.4176.5-1710000111.1H331H331-V355 WeakPolarHBondContact CE1-CG2 3.34Å
356S87.1Confident92.5Very high38 Ų3845.2 Ų45.227%0.26623%0.231SC..  trans-134.1160.2-172.983.60000114P358 D359 Y360S356-P358 WeakPolarHBondContact OG-CD 3.32Å; S356-D359 WeakPolarHBondContact CB-OD2 3.15Å; S356-D359 PolarHBondContact N-OD2 2.91Å; S356-D359 PolarHBondContact O-N 3.19Å; S356-D359 PolarHBondContact OG-N 3.06Å; S356-D359 PolarHBondContact OG-OD2 3.32Å; S356-Y360 PolarHBondContact O-N 2.88Å; S356-Y360 VanDerWaalsContact O-N 3.08Å
357L88.6Confident92.6Very high68 Ų6844.6 Ų44.636%0.35623%0.228SC..Hα-helixtrans-61.5-42.1177178.266.7000113.1D359 Y360 L361 F385 V402L357-D359 PolarHBondContact O-N 2.86Å; L357-Y360 HydrophobicContact CD1-CD1 4.12Å; L357-Y360 WeakPolarHBondContact O-CB 3.3Å; L357-Y360 PolarHBondContact O-N 3.19Å; L357-L361 WeakPolarHBondContact O-CG 3.35Å; L357-L361 PolarHBondContact O-N 2.88Å; L357-L361 VanDerWaalsContact O-N 3.13Å; L357-F385 HydrophobicContact CB-CE1 4.41Å; L357-F385 HydrophobicContact CB-CZ 4.19Å; L357-F385 HydrophobicContact CD1-CZ 3.98Å; L357-V402 HydrophobicContact CD2-CB 4.48Å; L357-V402 HydrophobicContact CD2-CG1 4.1Å
358P87Confident92.6Very high77 Ų7748.4 Ų48.450%0.524%0.244SC..Hα-helixtrans-55-44.9170.8-29.336.1000113.9S356 Y360 L361 S362S356-P358 WeakPolarHBondContact OG-CD 3.32Å; P358-Y360 VanDerWaalsContact C-N 3.35Å; P358-Y360 PolarHBondContact O-N 3.29Å; P358-L361 WeakPolarHBondContact O-CB 3.33Å; P358-L361 PolarHBondContact O-N 3.16Å; P358-L361 VanDerWaalsContact O-N 3.12Å; P358-S362 PolarHBondContact O-N 3.43Å
359D88.2Confident92.5Very high65 Ų6555.3 Ų55.335%0.34828%0.276SS..Hα-helixtrans-64.6-41.8179.8-51.3-40.8000111S356 L357 L361 S362 I363S356-D359 WeakPolarHBondContact CB-OD2 3.15Å; S356-D359 PolarHBondContact N-OD2 2.91Å; S356-D359 PolarHBondContact O-N 3.19Å; S356-D359 PolarHBondContact OG-N 3.06Å; S356-D359 PolarHBondContact OG-OD2 3.32Å; L357-D359 PolarHBondContact O-N 2.86Å; D359-L361 VanDerWaalsContact C-N 3.25Å; D359-L361 PolarHBondContact O-N 3.02Å; D359-S362 PolarHBondContact O-N 3.17Å; D359-S362 PolarHBondContact O-OG 3.42Å; D359-I363 HydrophobicContact CB-CD1 4.26Å; D359-I363 WeakPolarHBondContact O-CB 3.44Å; D359-I363 WeakPolarHBondContact O-CD1 3.46Å; D359-I363 VanDerWaalsContact O-CG1 3.23Å; D359-I363 WeakPolarHBondContact O-CG1 3.18Å; D359-I363 PolarHBondContact O-N 2.96Å
360Y92.7Very high92.4Very high39 Ų3954.4 Ų54.415%0.15327%0.27CS..Hα-helixtrans-56.7-38.6173.4168.2-105.6000112.3S356 L357 P358 S362 I363 A364 I381 P383S356-Y360 PolarHBondContact O-N 2.88Å; S356-Y360 VanDerWaalsContact O-N 3.08Å; L357-Y360 HydrophobicContact CD1-CD1 4.12Å; L357-Y360 WeakPolarHBondContact O-CB 3.3Å; L357-Y360 PolarHBondContact O-N 3.19Å; P358-Y360 VanDerWaalsContact C-N 3.35Å; P358-Y360 PolarHBondContact O-N 3.29Å; Y360-S362 VanDerWaalsContact C-N 3.33Å; Y360-S362 PolarHBondContact O-N 3.26Å; Y360-I363 PolarHBondContact O-N 3.48Å; Y360-A364 HydrophobicContact CD2-CB 4.31Å; Y360-A364 HydrophobicContact CE1-CB 4.47Å; Y360-A364 HydrophobicContact CE2-CB 3.85Å; Y360-A364 WeakPolarHBondContact O-CB 3.42Å; Y360-A364 PolarHBondContact O-N 3.09Å; Y360-I381 HydrophobicContact CE2-CG2 3.92Å; Y360-I381 PolarHBondContact OH-O 3.45Å; Y360-I381 VanDerWaalsContact OH-O 3.12Å; Y360-P383 HydrophobicContact CD1-CB 4.26Å; Y360-P383 HydrophobicContact CD1-CG 4.34Å; Y360-P383 HydrophobicContact CD2-CB 3.64Å; Y360-P383 HydrophobicContact CD2-CG 4.33Å; Y360-P383 HydrophobicContact CE1-CB 4.38Å; Y360-P383 HydrophobicContact CE1-CG 4.08Å; Y360-P383 HydrophobicContact CE2-CB 3.78Å; Y360-P383 HydrophobicContact CE2-CG 4.07Å; Y360-P383 HydrophobicContact CG-CB 3.89Å; Y360-P383 HydrophobicContact CG-CG 4.45Å
361L91.4Very high92.3Very high88 Ų8854.3 Ų54.346%0.46127%0.27SS..Hα-helixtrans-68.9-25.1-180-69.2174.4000113.7L357 P358 D359 R365L357-L361 WeakPolarHBondContact O-CG 3.35Å; L357-L361 PolarHBondContact O-N 2.88Å; L357-L361 VanDerWaalsContact O-N 3.13Å; P358-L361 WeakPolarHBondContact O-CB 3.33Å; P358-L361 PolarHBondContact O-N 3.16Å; P358-L361 VanDerWaalsContact O-N 3.12Å; D359-L361 VanDerWaalsContact C-N 3.25Å; D359-L361 PolarHBondContact O-N 3.02Å; L361-R365 PolarHBondContact O-NE 2.92Å; L361-R365 PolarHBondContact O-NH2 3Å; L361-R365 VanDerWaalsContact O-NH2 3.16Å
362S90.9Very high92.2Very high40 Ų4058.8 Ų58.828%0.2829%0.291SS..Hα-helixtrans-79.4-51.3167.233.20000111.7P358 D359 Y360 A364 R365 E366P358-S362 PolarHBondContact O-N 3.43Å; D359-S362 PolarHBondContact O-N 3.17Å; D359-S362 PolarHBondContact O-OG 3.42Å; Y360-S362 VanDerWaalsContact C-N 3.33Å; Y360-S362 PolarHBondContact O-N 3.26Å; S362-A364 VanDerWaalsContact C-N 3.3Å; S362-A364 PolarHBondContact O-N 3.45Å; S362-R365 VanDerWaalsContact CA-NH2 3.35Å; S362-R365 WeakPolarHBondContact O-CB 3.4Å; S362-R365 PolarHBondContact O-N 3.31Å; S362-E366 PolarHBondContact O-N 3.39Å
363I93.8Very high92.1Very high4 Ų464.1 Ų64.12%0.02132%0.315CS..Hα-helixtrans-55.5-44.4-178.2-69.9164.9000111.5I330 I352 C354 D359 Y360 R365 E366 V367I330-I363 HydrophobicContact CD1-CG2 3.62Å; I330-I363 HydrophobicContact CG1-CD1 4.26Å; I330-I363 HydrophobicContact CG1-CG1 4.4Å; I330-I363 HydrophobicContact CG1-CG2 3.49Å; I330-I363 VanDerWaalsContact CG1-CG2 3.49Å; I352-I363 HydrophobicContact CD1-CG2 4.5Å; I352-I363 HydrophobicContact CG2-CG2 4.19Å; C354-I363 HydrophobicContact CB-CD1 4.45Å; C354-I363 VanDerWaalsContact SG-CD1 3.59Å; D359-I363 HydrophobicContact CB-CD1 4.26Å; D359-I363 WeakPolarHBondContact O-CB 3.44Å; D359-I363 WeakPolarHBondContact O-CD1 3.46Å; D359-I363 VanDerWaalsContact O-CG1 3.23Å; D359-I363 WeakPolarHBondContact O-CG1 3.18Å; D359-I363 PolarHBondContact O-N 2.96Å; Y360-I363 PolarHBondContact O-N 3.48Å; I363-R365 VanDerWaalsContact C-N 3.25Å; I363-R365 PolarHBondContact O-N 3.38Å; I363-E366 PolarHBondContact O-N 3.35Å; I363-V367 HydrophobicContact CG2-CG2 4.12Å; I363-V367 WeakPolarHBondContact O-CB 3.42Å; I363-V367 WeakPolarHBondContact O-CG2 3.17Å; I363-V367 PolarHBondContact O-N 2.94Å
364A94.3Very high92.1Very high16 Ų1661.8 Ų61.813%0.13231%0.308CS..Hα-helixtrans-63.6-28.3-18000000113.4Y360 S362 K368 I381Y360-A364 HydrophobicContact CD2-CB 4.31Å; Y360-A364 HydrophobicContact CE1-CB 4.47Å; Y360-A364 HydrophobicContact CE2-CB 3.85Å; Y360-A364 WeakPolarHBondContact O-CB 3.42Å; Y360-A364 PolarHBondContact O-N 3.09Å; S362-A364 VanDerWaalsContact C-N 3.3Å; S362-A364 PolarHBondContact O-N 3.45Å; A364-K368 WeakPolarHBondContact O-CB 3.26Å; A364-K368 PolarHBondContact O-N 2.84Å; A364-K368 VanDerWaalsContact O-N 3.09Å; A364-I381 HydrophobicContact CB-CD1 4.15Å; A364-I381 WeakPolarHBondContact O-CD1 3.41Å
365R93.4Very high92.1Very high170 Ų17066.6 Ų66.664%0.64233%0.333SS*.Hα-helixtrans-71.5-45174.1-76.9176.9-83.6136.9-8.6111.1L361 S362 I363 K368 Q369L361-R365 PolarHBondContact O-NE 2.92Å; L361-R365 PolarHBondContact O-NH2 3Å; L361-R365 VanDerWaalsContact O-NH2 3.16Å; S362-R365 VanDerWaalsContact CA-NH2 3.35Å; S362-R365 WeakPolarHBondContact O-CB 3.4Å; S362-R365 PolarHBondContact O-N 3.31Å; I363-R365 VanDerWaalsContact C-N 3.25Å; I363-R365 PolarHBondContact O-N 3.38Å; R365-K368 PolarHBondContact O-N 3.46Å; R365-Q369 PolarHBondContact O-N 3.21Å
366E94.2Very high92.4Very high99 Ų9963.3 Ų63.346%0.46331%0.313SS..Hα-helixtrans-66.7-44.2179-66.4-178.1-140.600111.8I327 S362 I363 K368 Q369 L370I327-E366 HydrophobicContact CD1-CB 4.28Å; I327-E366 HydrophobicContact CG2-CB 4.34Å; S362-E366 PolarHBondContact O-N 3.39Å; I363-E366 PolarHBondContact O-N 3.35Å; E366-K368 VanDerWaalsContact C-N 3.34Å; E366-K368 PolarHBondContact O-N 3.35Å; E366-Q369 WeakPolarHBondContact O-CB 3.26Å; E366-Q369 PolarHBondContact O-N 2.93Å; E366-Q369 VanDerWaalsContact O-N 3.16Å; E366-L370 WeakPolarHBondContact O-CB 3.35Å; E366-L370 PolarHBondContact O-N 2.57Å
367V95.3Very high92.3Very high0 Ų066.7 Ų66.70%032%0.324CS..Hα-helixtrans-61-41.7174.2168.50000111.8M324 I327 I330 V350 I352 I363 Q369 L370 F371 I381M324-V367 HydrophobicContact CE-CG1 3.66Å; M324-V367 HydrophobicContact CE-CG2 4.33Å; I327-V367 HydrophobicContact CD1-CG2 3.72Å; I330-V367 HydrophobicContact CD1-CG2 3.99Å; V350-V367 HydrophobicContact CG1-CG1 4.31Å; I352-V367 HydrophobicContact CD1-CB 4.3Å; I352-V367 HydrophobicContact CD1-CG1 4.02Å; I352-V367 HydrophobicContact CD1-CG2 3.65Å; I363-V367 HydrophobicContact CG2-CG2 4.12Å; I363-V367 WeakPolarHBondContact O-CB 3.42Å; I363-V367 WeakPolarHBondContact O-CG2 3.17Å; I363-V367 PolarHBondContact O-N 2.94Å; V367-Q369 VanDerWaalsContact C-N 3.33Å; V367-Q369 PolarHBondContact O-N 2.92Å; V367-L370 PolarHBondContact O-N 3.34Å; V367-F371 HydrophobicContact CG1-CD2 3.73Å; V367-F371 HydrophobicContact CG1-CE2 3.53Å; V367-F371 HydrophobicContact CG1-CZ 4.39Å; V367-F371 WeakPolarHBondContact O-CD2 3.23Å; V367-F371 PolarHBondContact O-N 2.9Å; V367-I381 HydrophobicContact CB-CD1 3.99Å; V367-I381 HydrophobicContact CG1-CD1 3.62Å; V367-I381 HydrophobicContact CG1-CG1 4.09Å
368K94.3Very high92.3Very high87 Ų8766.3 Ų66.338%0.37833%0.327SS..Hα-helixtrans-63.8-37.9175.2179.6176.3171.1-179.90112Y187 A364 R365 E366 H372 I381Y187-K368 WeakPolarHBondContact OH-CE 3.36Å; Y187-K368 PolarHBondContact OH-NZ 2.87Å; A364-K368 WeakPolarHBondContact O-CB 3.26Å; A364-K368 PolarHBondContact O-N 2.84Å; A364-K368 VanDerWaalsContact O-N 3.09Å; R365-K368 PolarHBondContact O-N 3.46Å; E366-K368 VanDerWaalsContact C-N 3.34Å; E366-K368 PolarHBondContact O-N 3.35Å; K368-H372 PolarHBondContact O-N 2.96Å; K368-H372 VanDerWaalsContact O-N 3.11Å; K368-I381 HydrophobicContact CB-CD1 4.33Å
369Q94.2Very high92.7Very high145 Ų14564 Ų6468%0.67831%0.311SS*.Hα-helixtrans-66.5-42.9174.3-178.2172.6-1000111.6R365 E366 V367 H372 E373R365-Q369 PolarHBondContact O-N 3.21Å; E366-Q369 WeakPolarHBondContact O-CB 3.26Å; E366-Q369 PolarHBondContact O-N 2.93Å; E366-Q369 VanDerWaalsContact O-N 3.16Å; V367-Q369 VanDerWaalsContact C-N 3.33Å; V367-Q369 PolarHBondContact O-N 2.92Å; Q369-H372 WeakPolarHBondContact O-CB 3.44Å; Q369-H372 PolarHBondContact O-N 3.12Å; Q369-H372 VanDerWaalsContact O-N 3.17Å; Q369-E373 PolarHBondContact O-N 3.34Å
370L94.6Very high93.1Very high12 Ų1264.8 Ų64.86%0.06332%0.318CS..Hα-helixtrans-63-44.8176.4-17855.5000111.8L320 R323 M324 I327 E366 V367 H372 E373 F374L320-L370 HydrophobicContact CD1-CD2 4.4Å; L320-L370 HydrophobicContact CD1-CG 4.03Å; R323-L370 HydrophobicContact CB-CD1 4.19Å; R323-L370 HydrophobicContact CB-CD2 3.8Å; R323-L370 VanDerWaalsContact CZ-CD1 3.42Å; M324-L370 HydrophobicContact CB-CD2 4.3Å; M324-L370 HydrophobicContact CG-CD2 3.43Å; M324-L370 VanDerWaalsContact CG-CD2 3.43Å; M324-L370 HydrophobicContact CG-CG 4.41Å; I327-L370 HydrophobicContact CD1-CD2 4.2Å; E366-L370 WeakPolarHBondContact O-CB 3.35Å; E366-L370 PolarHBondContact O-N 2.57Å; V367-L370 PolarHBondContact O-N 3.34Å; L370-H372 VanDerWaalsContact C-N 3.27Å; L370-H372 PolarHBondContact O-N 3.08Å; L370-E373 WeakPolarHBondContact O-CB 3.41Å; L370-E373 PolarHBondContact O-N 3.48Å; L370-E373 VanDerWaalsContact O-N 3.16Å; L370-F374 HydrophobicContact CD1-CD2 4.14Å; L370-F374 HydrophobicContact CD1-CE2 3.8Å; L370-F374 WeakPolarHBondContact O-CD2 3.17Å; L370-F374 PolarHBondContact O-N 3.4Å
371F95.4Very high93.2Very high0 Ų064.3 Ų64.30%032%0.319CS..Hα-helixtrans-57.1-40.2171.8-81.1-47.5000112.6L320 M324 L336 V350 V367 E373 F374 N375 I376 T379 I381L320-F371 HydrophobicContact CD1-CD1 4.29Å; L320-F371 HydrophobicContact CD2-CD1 4.18Å; L320-F371 HydrophobicContact CD2-CE1 4.05Å; M324-F371 HydrophobicContact CE-CE2 4.47Å; M324-F371 HydrophobicContact CE-CZ 4.12Å; M324-F371 HydrophobicContact SD-CE1 4.36Å; M324-F371 HydrophobicContact SD-CZ 4.43Å; L336-F371 HydrophobicContact CD1-CE1 4.06Å; L336-F371 HydrophobicContact CD1-CZ 4.09Å; V350-F371 HydrophobicContact CB-CZ 4.04Å; V350-F371 HydrophobicContact CG1-CE2 3.74Å; V350-F371 HydrophobicContact CG1-CZ 3.7Å; V367-F371 HydrophobicContact CG1-CD2 3.73Å; V367-F371 HydrophobicContact CG1-CE2 3.53Å; V367-F371 HydrophobicContact CG1-CZ 4.39Å; V367-F371 WeakPolarHBondContact O-CD2 3.23Å; V367-F371 PolarHBondContact O-N 2.9Å; F371-E373 VanDerWaalsContact C-N 3.33Å; F371-E373 PolarHBondContact O-N 3.19Å; F371-F374 CarbonylContact O-C 3.55Å; F371-F374 PolarHBondContact O-N 3.4Å; F371-N375 PolarHBondContact O-N 3Å; F371-I376 HydrophobicContact CB-CB 4.16Å; F371-I376 HydrophobicContact CB-CG2 4.44Å; F371-I376 HydrophobicContact CD1-CB 4.38Å; F371-I376 HydrophobicContact CD1-CD1 3.55Å; F371-I376 HydrophobicContact CD1-CG2 4.38Å; F371-I376 HydrophobicContact CE1-CD1 4.12Å; F371-I376 WeakPolarHBondContact O-CB 3.49Å; F371-I376 PolarHBondContact O-N 3.31Å; F371-T379 HydrophobicContact CB-CG2 3.42Å; F371-T379 VanDerWaalsContact CB-CG2 3.42Å; F371-T379 HydrophobicContact CD2-CG2 3.45Å; F371-T379 VanDerWaalsContact CD2-CG2 3.45Å; F371-T379 HydrophobicContact CE2-CG2 4.28Å; F371-T379 HydrophobicContact CG-CG2 3.61Å; F371-I381 HydrophobicContact CE2-CG1 4.24Å
372H93.2Very high93.4Very high132 Ų13265 Ų6561%0.61132%0.319SS*.Hα-helixtrans-64.6-36.6177.4-169.771000112.5K368 Q369 L370 F374 N375K368-H372 PolarHBondContact O-N 2.96Å; K368-H372 VanDerWaalsContact O-N 3.11Å; Q369-H372 WeakPolarHBondContact O-CB 3.44Å; Q369-H372 PolarHBondContact O-N 3.12Å; Q369-H372 VanDerWaalsContact O-N 3.17Å; L370-H372 VanDerWaalsContact C-N 3.27Å; L370-H372 PolarHBondContact O-N 3.08Å; H372-F374 VanDerWaalsContact C-N 3.28Å; H372-F374 PolarHBondContact O-N 2.83Å; H372-N375 WeakPolarHBondContact O-CA 3.41Å; H372-N375 PolarHBondContact O-N 3.43Å
373E93.4Very high93.6Very high111 Ų11165.1 Ų65.152%0.51932%0.319SS..Hα-helixtrans-59.8-38.4174.2-162.1-172.4145.500112R323 Q369 L370 F371 N375R323-E373 IonicContact CZ-OE1 3.31Å; R323-E373 IonicContact CZ-OE2 3.02Å; R323-E373 VanDerWaalsContact NH1-CD 3.25Å; R323-E373 IonicContact NH1-OE1 2.83Å; R323-E373 PolarHBondContact NH1-OE1 3.04Å; R323-E373 IonicContact NH1-OE2 3.58Å; R323-E373 PolarHBondContact NH1-OE2 3.06Å; R323-E373 IonicContact NH2-OE1 2.72Å; R323-E373 PolarHBondContact NH2-OE1 2.83Å; R323-E373 IonicContact NH2-OE2 3.47Å; R323-E373 PolarHBondContact NH2-OE2 3.27Å; Q369-E373 PolarHBondContact O-N 3.34Å; L370-E373 WeakPolarHBondContact O-CB 3.41Å; L370-E373 PolarHBondContact O-N 3.48Å; L370-E373 VanDerWaalsContact O-N 3.16Å; F371-E373 VanDerWaalsContact C-N 3.33Å; F371-E373 PolarHBondContact O-N 3.19Å; E373-N375 PolarHBondContact O-N 3.16Å
374F92.5Very high93.5Very high34 Ų3467 Ų6715%0.14933%0.328CS..THydrogen-bonded Turntrans-79.510.5173.5-77.2-97.8000114I315 N319 L320 L370 F371 H372 I376I315-F374 HydrophobicContact CD1-CB 4.49Å; I315-F374 WeakPolarHBondContact CD1-O 3.46Å; I315-F374 HydrophobicContact CG2-CD1 4.06Å; N319-F374 WeakPolarHBondContact OD1-CZ 3.34Å; L320-F374 HydrophobicContact CB-CD1 4.44Å; L320-F374 HydrophobicContact CB-CE1 4.12Å; L320-F374 HydrophobicContact CB-CE2 4.36Å; L320-F374 HydrophobicContact CB-CZ 4.07Å; L320-F374 HydrophobicContact CD1-CD2 3.75Å; L320-F374 HydrophobicContact CD1-CE2 3.9Å; L320-F374 HydrophobicContact CD1-CG 4.2Å; L320-F374 HydrophobicContact CD1-CZ 4.46Å; L370-F374 HydrophobicContact CD1-CD2 4.14Å; L370-F374 HydrophobicContact CD1-CE2 3.8Å; L370-F374 WeakPolarHBondContact O-CD2 3.17Å; L370-F374 PolarHBondContact O-N 3.4Å; F371-F374 CarbonylContact O-C 3.55Å; F371-F374 PolarHBondContact O-N 3.4Å; H372-F374 VanDerWaalsContact C-N 3.28Å; H372-F374 PolarHBondContact O-N 2.83Å; F374-I376 HydrophobicContact CB-CD1 4.19Å; F374-I376 HydrophobicContact CB-CG1 4.47Å; F374-I376 PolarHBondContact O-N 2.76Å
375N92Very high93.2Very high102 Ų10270.5 Ų70.555%0.54534%0.34SS..THydrogen-bonded Turntrans59.926.8-176.8-56.8-89.8000114.4F371 H372 E373 H377F371-N375 PolarHBondContact O-N 3Å; H372-N375 WeakPolarHBondContact O-CA 3.41Å; H372-N375 PolarHBondContact O-N 3.43Å; E373-N375 PolarHBondContact O-N 3.16Å; N375-H377 PolarHBondContact O-CE1 3.12Å; N375-H377 PolarHBondContact O-ND1 3.21Å
376I93.1Very high92.4Very high2 Ų267.6 Ų67.61%0.0133%0.334CS..  trans-82.8123.9171.1-62.7161.8000107.7I315 L320 V338 I346 F371 F374 T379I315-I376 HydrophobicContact CD1-CD1 3.92Å; I315-I376 HydrophobicContact CD1-CG1 3.71Å; L320-I376 HydrophobicContact CD2-CD1 3.9Å; V338-I376 HydrophobicContact CG1-CD1 3.84Å; V338-I376 HydrophobicContact CG1-CG1 4.19Å; V338-I376 HydrophobicContact CG2-CD1 4.03Å; I346-I376 HydrophobicContact CB-CG1 4.47Å; I346-I376 HydrophobicContact CG2-CG1 3.84Å; F371-I376 HydrophobicContact CB-CB 4.16Å; F371-I376 HydrophobicContact CB-CG2 4.44Å; F371-I376 HydrophobicContact CD1-CB 4.38Å; F371-I376 HydrophobicContact CD1-CD1 3.55Å; F371-I376 HydrophobicContact CD1-CG2 4.38Å; F371-I376 HydrophobicContact CE1-CD1 4.12Å; F371-I376 WeakPolarHBondContact O-CB 3.49Å; F371-I376 PolarHBondContact O-N 3.31Å; F374-I376 HydrophobicContact CB-CD1 4.19Å; F374-I376 HydrophobicContact CB-CG1 4.47Å; F374-I376 PolarHBondContact O-N 2.76Å; I376-T379 HydrophobicContact CG2-CG2 3.96Å
377H85.1Confident91.3Very high109 Ų10971.5 Ų71.551%0.50535%0.352SS..  trans-100.5-36.5-169.5-65-19.3000112.9I346 N375I346-H377 PolarHBondContact O-N 2.87Å; N375-H377 PolarHBondContact O-CE1 3.12Å; N375-H377 PolarHBondContact O-ND1 3.21Å
378C90Very high89.5Confident60 Ų6077.6 Ų77.641%0.40539%0.385SS..EExtended strand (participates in β ladder)trans-110.1107.7177.3-60.60000108.6I346 I347 G348I346-C378 PolarHBondContact O-N 3.12Å; I347-C378 CarbonylContact C-O 3.6Å; I347-C378 VanDerWaalsContact CA-O 3.3Å; I347-C378 WeakPolarHBondContact CA-O 3.39Å; I347-C378 HydrophobicContact CB-CB 4.43Å; I347-C378 HydrophobicContact CG1-CB 4.09Å; I347-C378 HydrophobicContact CG2-CB 4.19Å; I347-C378 WeakPolarHBondContact CG2-O 3.49Å; G348-C378 PolarHBondContact N-O 3.35Å
379T95.1Very high87.5Confident28 Ų2880.9 Ų80.917%0.17241%0.405CS..EExtended strand (participates in β ladder)trans-111.4139.4-177.757.70000110.5G348 F371 I376G348-T379 CarbonylContact O-C 3.57Å; G348-T379 WeakPolarHBondContact O-CA 3.4Å; F371-T379 HydrophobicContact CB-CG2 3.42Å; F371-T379 VanDerWaalsContact CB-CG2 3.42Å; F371-T379 HydrophobicContact CD2-CG2 3.45Å; F371-T379 VanDerWaalsContact CD2-CG2 3.45Å; F371-T379 HydrophobicContact CE2-CG2 4.28Å; F371-T379 HydrophobicContact CG-CG2 3.61Å; I376-T379 HydrophobicContact CG2-CG2 3.96Å
380T95.6Very high84.9Confident82 Ų8283.3 Ų83.350%0.50342%0.416SS..EExtended strand (participates in β ladder)trans-129.1129.5169400000108.1G348 T349 V350G348-T380 PolarHBondContact O-N 3.05Å; G348-T380 PolarHBondContact O-OG1 3.47Å; T349-T380 CarbonylContact C-O 3.59Å; T349-T380 WeakPolarHBondContact CA-O 3.34Å; T349-T380 WeakPolarHBondContact CA-OG1 3.41Å; T349-T380 WeakPolarHBondContact CG2-OG1 3.47Å; V350-T380 PolarHBondContact N-O 3.28Å
381I96.2Very high82.5Confident30 Ų3086.4 Ų86.415%0.15445%0.451CS..EExtended strand (participates in β ladder)trans-126.5119.5-175.5-52.4172.1000105.3V350 I352 Y360 A364 V367 K368 F371V350-I381 HydrophobicContact CG1-CB 4.36Å; V350-I381 HydrophobicContact CG1-CG1 4.16Å; V350-I381 HydrophobicContact CG1-CG2 4.1Å; V350-I381 WeakPolarHBondContact O-CA 3.47Å; I352-I381 HydrophobicContact CD1-CG2 3.65Å; I352-I381 HydrophobicContact CG1-CG2 4.12Å; Y360-I381 HydrophobicContact CE2-CG2 3.92Å; Y360-I381 PolarHBondContact OH-O 3.45Å; Y360-I381 VanDerWaalsContact OH-O 3.12Å; A364-I381 HydrophobicContact CB-CD1 4.15Å; A364-I381 WeakPolarHBondContact O-CD1 3.41Å; V367-I381 HydrophobicContact CB-CD1 3.99Å; V367-I381 HydrophobicContact CG1-CD1 3.62Å; V367-I381 HydrophobicContact CG1-CG1 4.09Å; K368-I381 HydrophobicContact CB-CD1 4.33Å; F371-I381 HydrophobicContact CE2-CG1 4.24Å
382Q95.6Very high79.9Confident101 Ų10191 Ų9147%0.47248%0.483SS..EExtended strand (participates in β ladder)trans-105.1123.2178-179.1166.4-46.900109.3V350 H351 I352V350-Q382 PolarHBondContact O-N 3.45Å; H351-Q382 WeakPolarHBondContact CA-O 3.3Å; H351-Q382 PolarHBondContact CE1-NE2 3.48Å; I352-Q382 PolarHBondContact N-O 2.92Å
383P94Very high77.2Confident43 Ų4391.9 Ų91.928%0.27950%0.498SS..EExtended strand (participates in β ladder)trans-74.7137.6170.128.1-29.5000110.9Y360 F385Y360-P383 HydrophobicContact CD1-CB 4.26Å; Y360-P383 HydrophobicContact CD1-CG 4.34Å; Y360-P383 HydrophobicContact CD2-CB 3.64Å; Y360-P383 HydrophobicContact CD2-CG 4.33Å; Y360-P383 HydrophobicContact CE1-CB 4.38Å; Y360-P383 HydrophobicContact CE1-CG 4.08Å; Y360-P383 HydrophobicContact CE2-CB 3.78Å; Y360-P383 HydrophobicContact CE2-CG 4.07Å; Y360-P383 HydrophobicContact CG-CB 3.89Å; Y360-P383 HydrophobicContact CG-CG 4.45Å; P383-F385 HydrophobicContact CB-CE1 4.17Å; P383-F385 HydrophobicContact CB-CE2 3.84Å; P383-F385 HydrophobicContact CB-CZ 3.6Å; P383-F385 HydrophobicContact CG-CE2 4.1Å; P383-F385 HydrophobicContact CG-CZ 4.12Å
384E91.9Very high74.8Confident45 Ų4589.6 Ų89.621%0.2150%0.498CS..EExtended strand (participates in β ladder)trans-113.3125.8157.4-66.9179.6-170.400107.2H351 I352 R353 C354H351-E384 IonicContact CG-OE1 3.92Å; H351-E384 IonicContact ND1-OE1 3.35Å; H351-E384 PolarHBondContact ND1-OE1 3.12Å; I352-E384 PolarHBondContact O-N 3.3Å; R353-E384 CarbonylContact C-O 3.6Å; R353-E384 VanDerWaalsContact CA-O 3.26Å; R353-E384 WeakPolarHBondContact CA-O 3.46Å; R353-E384 IonicContact CZ-OE2 3.5Å; R353-E384 IonicContact NE-OE2 3.42Å; R353-E384 PolarHBondContact NE-OE2 3.21Å; R353-E384 IonicContact NH2-OE2 2.73Å; R353-E384 PolarHBondContact NH2-OE2 3.3Å; C354-E384 PolarHBondContact N-O 3.13Å
385F88.2Confident72.3Confident88 Ų8895.8 Ų95.839%0.38653%0.533SS..EExtended strand (participates in β ladder)trans-96.4145.3175.9-60.2-67.7000110.1C354 L357 P383 E387C354-F385 HydrophobicContact CB-CE1 4.5Å; C354-F385 WeakPolarHBondContact O-CA 3.49Å; L357-F385 HydrophobicContact CB-CE1 4.41Å; L357-F385 HydrophobicContact CB-CZ 4.19Å; L357-F385 HydrophobicContact CD1-CZ 3.98Å; P383-F385 HydrophobicContact CB-CE1 4.17Å; P383-F385 HydrophobicContact CB-CE2 3.84Å; P383-F385 HydrophobicContact CB-CZ 3.6Å; P383-F385 HydrophobicContact CG-CE2 4.1Å; P383-F385 HydrophobicContact CG-CZ 4.12Å; F385-E387 PolarHBondContact O-N 3.27Å
386E77.1Confident70.3Confident109 Ų10995.5 Ų95.551%0.50954%0.535SS..  trans-69.7124.3173.9-170.9157.2-137.100109.9C354 N388C354-E386 PolarHBondContact O-N 3.06Å; E386-N388 PolarHBondContact O-N 3.39Å
387E70Confident68.1Low182 Ų182100.4 Ų100.485%0.8556%0.561SS**  trans-66.9106.2171.6-69.9-179.2175.400108F385 I389F385-E387 PolarHBondContact O-N 3.27Å; E387-I389 PolarHBondContact O-N 2.88Å
388N59.1Low66.5Low128 Ų128104.3 Ų104.368%0.68457%0.573SS**  trans-55.7107.7174-80.2-61.2000109.1E386 E390E386-N388 PolarHBondContact O-N 3.39Å; N388-E390 PolarHBondContact O-N 3.42Å
389I51.2Low64.7Low156 Ų156110.9 Ų110.980%0.859%0.589SS**  trans-51.9125.5177.9-63.7166.7000108.6E387 G391E387-I389 PolarHBondContact O-N 2.88Å; I389-G391 PolarHBondContact O-N 3Å
390E39.6Very low62.8Low196 Ų196114.8 Ų114.892%0.91661%0.613SS**THydrogen-bonded Turntrans-52100.7179.9-61.3-178.7144.200110.3N388N388-E390 PolarHBondContact O-N 3.42Å
391G45.4Very low61Low77 Ų77113.4 Ų113.479%0.79461%0.606SS**THydrogen-bonded Turntrans165.4-22.2-173.200000116.4I389I389-G391 PolarHBondContact O-N 3Å
392S39.8Very low59.5Low97 Ų97116.3 Ų116.368%0.67863%0.625SS**  trans-97.8100.9176.7-158.60000111.7A394S392-A394 PolarHBondContact O-N 2.84Å
393T36.4Very low57.9Low149 Ų149117.8 Ų117.891%0.91464%0.635SS**  trans-72.95416948.50000111.7N395T393-N395 PolarHBondContact O-N 3.42Å
394A43.2Very low56.5Low63 Ų63122 Ų12252%0.52166%0.655SS.*  trans-80.7111.6166.100000107.9S392 T396S392-A394 PolarHBondContact O-N 2.84Å; A394-T396 PolarHBondContact O-N 3.49Å; A394-T396 PolarHBondContact O-OG1 2.8Å
395N40.7Very low55.5Low165 Ų165121 Ų12188%0.88265%0.653SS**  trans-71.969-178.9-171.238000110.9T393 D397T393-N395 PolarHBondContact O-N 3.42Å; N395-D397 PolarHBondContact O-N 2.87Å
396T49.5Very low54.5Low96 Ų96118.6 Ų118.659%0.58965%0.654SS**  trans-77.7112177.7-45.90000108.4A394 Y398A394-T396 PolarHBondContact O-N 3.49Å; A394-T396 PolarHBondContact O-OG1 2.8Å; T396-Y398 HydrophobicContact CG2-CE2 4.45Å; T396-Y398 WeakPolarHBondContact O-CD2 3.39Å; T396-Y398 PolarHBondContact O-N 3.39Å
397D46.9Very low54.2Low104 Ų104120.2 Ų120.256%0.55667%0.674SS**  trans-73.185.9-173.1-170.117.4000111.9N395 R399N395-D397 PolarHBondContact O-N 2.87Å; D397-R399 PolarHBondContact O-N 2.98Å; D397-R399 VanDerWaalsContact OD1-CB 3.22Å; D397-R399 WeakPolarHBondContact OD1-CB 3.37Å; D397-R399 WeakPolarHBondContact OD1-CD 3.1Å; D397-R399 WeakPolarHBondContact OD1-CG 3.19Å; D397-R399 PolarHBondContact OD1-N 3.2Å
398Y51.9Low54Low192 Ų192116.2 Ų116.275%0.75366%0.658SS**THydrogen-bonded Turntrans-668.4175.5-87.4-87.2000114.1T396T396-Y398 HydrophobicContact CG2-CE2 4.45Å; T396-Y398 WeakPolarHBondContact O-CD2 3.39Å; T396-Y398 PolarHBondContact O-N 3.39Å
399R50.7Low54.5Low197 Ų197117.7 Ų117.774%0.74366%0.658SS**THydrogen-bonded Turntrans-79.3-14.5-178.6-67.2178.3166.8-179.3-3.6114.6D397 C401D397-R399 PolarHBondContact O-N 2.98Å; D397-R399 VanDerWaalsContact OD1-CB 3.22Å; D397-R399 WeakPolarHBondContact OD1-CB 3.37Å; D397-R399 WeakPolarHBondContact OD1-CD 3.1Å; D397-R399 WeakPolarHBondContact OD1-CG 3.19Å; D397-R399 PolarHBondContact OD1-N 3.2Å; R399-C401 PolarHBondContact O-N 3.04Å
400T56.1Low55.7Low110 Ų110116.8 Ų116.868%0.67566%0.655SS**SBendtrans-84.9105.2169.815.80000110.4V402T400-V402 PolarHBondContact O-N 3.38Å
401C58Low57.4Low53 Ų53109.8 Ų109.836%0.35863%0.627SS.*  trans-66.9100.7173.6-164.90000109.8R399 L403 C417R399-C401 PolarHBondContact O-N 3.04Å; C401-L403 PolarHBondContact O-N 2.88Å; C401-L403 PolarHBondContact SG-O 2.97Å; C401-C417 HydrophobicContact CB-CB 4.41Å
402V63.4Low58.6Low91 Ų91110.5 Ų110.555%0.55261%0.61SS**SBendtrans-63.3-21.8-178.3174.10000112.4L357 T400L357-V402 HydrophobicContact CD2-CB 4.48Å; L357-V402 HydrophobicContact CD2-CG1 4.1Å; T400-V402 PolarHBondContact O-N 3.38Å
403L63.3Low60Low132 Ų132110.2 Ų110.269%0.69161%0.608SS**SBendtrans-108.283.8171.2-64.5172.2000108.9C401C401-L403 PolarHBondContact O-N 2.88Å; C401-L403 PolarHBondContact SG-O 2.97Å
404D63.7Low61.6Low131 Ų131109.3 Ų109.370%0.70160%0.598SS**  trans-75.6151169.6-174.824.6000110.7G406D404-G406 PolarHBondContact O-N 3.26Å; D404-G406 VanDerWaalsContact O-N 3.15Å
405C70.6Confident62.7Low24 Ų24107.9 Ų107.916%0.16258%0.582CS.*  trans-71.1-1.8179.1-92.30000114N408 C411 Q412C405-N408 WeakPolarHBondContact CB-O 3.22Å; C405-C411 VanDerWaalsContact CA-SG 3.55Å; C405-C411 WeakPolarHBondContact CB-SG 3.24Å; C405-C411 VanDerWaalsContact SG-CA 3.52Å; C405-C411 WeakPolarHBondContact SG-CB 3.46Å; C405-C411 CovalentContact SG-SG 2.04Å; C405-C411 PolarHBondContact SG-SG 2.04Å; C405-Q412 PolarHBondContact SG-N 3.15Å
406G67.4Low64Low39 Ų39106.5 Ų106.540%0.40258%0.584SS.*THydrogen-bonded Turntrans59.9-148.5-170.900000111D404 N408D404-G406 PolarHBondContact O-N 3.26Å; D404-G406 VanDerWaalsContact O-N 3.15Å; G406-N408 PolarHBondContact O-N 3.34Å
407P71.4Confident64.7Low143 Ų143105.1 Ų105.193%0.92958%0.578SS**THydrogen-bonded Turntrans-70.3-10.3-176.728.3-34.5000114.5
408N65.3Low65.2Low97 Ų97103.8 Ų103.852%0.51958%0.575SS.*  trans-102.596.3-176.2-173.40.1000111.7C405 G406 N410C405-N408 WeakPolarHBondContact CB-O 3.22Å; G406-N408 PolarHBondContact O-N 3.34Å; N408-N410 PolarHBondContact O-N 3.2Å; N408-N410 WeakPolarHBondContact OD1-CB 2.98Å; N408-N410 PolarHBondContact OD1-N 3.24Å
409K71Confident65.4Low159 Ų15998 Ų9869%0.69157%0.567SS**G310 helixtrans-65.1-9.6-176.6-60.6-172.1179-174.30115.1C411 Q412K409-C411 PolarHBondContact O-N 3.16Å; K409-Q412 VanDerWaalsContact O-CB 3.24Å; K409-Q412 WeakPolarHBondContact O-CB 3.43Å; K409-Q412 PolarHBondContact O-N 3.41Å; K409-Q412 VanDerWaalsContact O-N 3.11Å
410N74.7Confident65.5Low137 Ų13793.4 Ų93.473%0.73357%0.565SS**G310 helixtrans-68-16.1-173.1-69.33.8000114.5N408N408-N410 PolarHBondContact O-N 3.2Å; N408-N410 WeakPolarHBondContact OD1-CB 2.98Å; N408-N410 PolarHBondContact OD1-N 3.24Å
411C76.1Confident64.8Low49 Ų4995.5 Ų95.533%0.33157%0.572SS.*G310 helixtrans-89.23173.852.50000114.4C405 K409 S413 D414 T415C405-C411 VanDerWaalsContact CA-SG 3.55Å; C405-C411 WeakPolarHBondContact CB-SG 3.24Å; C405-C411 VanDerWaalsContact SG-CA 3.52Å; C405-C411 WeakPolarHBondContact SG-CB 3.46Å; C405-C411 CovalentContact SG-SG 2.04Å; C405-C411 PolarHBondContact SG-SG 2.04Å; K409-C411 PolarHBondContact O-N 3.16Å; C411-S413 PolarHBondContact O-N 3.43Å; C411-S413 VanDerWaalsContact O-N 3.16Å; C411-D414 PolarHBondContact O-N 3.36Å; C411-T415 PolarHBondContact O-N 2.78Å
412Q70.7Confident64.1Low92 Ų9298.3 Ų98.343%0.4359%0.587SS.*THydrogen-bonded Turntrans-68.5-14.7-173.3-166.1167.928.800114.1C405 K409C405-Q412 PolarHBondContact SG-N 3.15Å; K409-Q412 VanDerWaalsContact O-CB 3.24Å; K409-Q412 WeakPolarHBondContact O-CB 3.43Å; K409-Q412 PolarHBondContact O-N 3.41Å; K409-Q412 VanDerWaalsContact O-N 3.11Å
413S70.1Confident62.8Low92 Ų9299.6 Ų99.664%0.64360%0.596SS**THydrogen-bonded Turntrans-81.5-20.7168.152.30000113.9C411C411-S413 PolarHBondContact O-N 3.43Å; C411-S413 VanDerWaalsContact O-N 3.16Å
414D68.5Low61.2Low130 Ų130101.8 Ų101.870%0.69560%0.602SS**THydrogen-bonded Turntrans-107.7-3.6-167.5-58.20.7000111.6C411C411-D414 PolarHBondContact O-N 3.36Å
415T66.6Low59.8Low32 Ų32101 Ų10120%0.19660%0.602CS.*SBendtrans-74.4147.917157.10000111C411 C417C411-T415 PolarHBondContact O-N 2.78Å; T415-C417 PolarHBondContact O-N 3.11Å; T415-C417 PolarHBondContact OG1-O 3.49Å
416C68.1Low57.9Low136 Ų136107.6 Ų107.692%0.91963%0.63SS**SBendtrans-63.3-11.7174.8-56.40000113.8
417C64.3Low56.2Low67 Ų67115.6 Ų115.645%0.45365%0.654SS.*SBendtrans-12981.7176-62.90000110C401 T415 A419C401-C417 HydrophobicContact CB-CB 4.41Å; T415-C417 PolarHBondContact O-N 3.11Å; T415-C417 PolarHBondContact OG1-O 3.49Å; C417-A419 PolarHBondContact O-N 3.18Å
418P57.7Low54.3Low76 Ų76114.7 Ų114.749%0.49465%0.646SS.*  trans-64.7126.4174.126.7-34000109.9S420P418-S420 VanDerWaalsContact C-N 3.33Å; P418-S420 PolarHBondContact O-N 3.29Å; P418-S420 PolarHBondContact O-OG 3.05Å
419A56.5Low52.9Low71 Ų71115 Ų11559%0.58765%0.653SS**  trans-68.684.4-173.200000112.5C417 N421C417-A419 PolarHBondContact O-N 3.18Å; A419-N421 PolarHBondContact O-N 3.17Å
420S51.9Low51.1Low100 Ų100113.3 Ų113.370%0.69966%0.661SS**  trans-82.196.4179.9-64.10000110.9P418 V422P418-S420 VanDerWaalsContact C-N 3.33Å; P418-S420 PolarHBondContact O-N 3.29Å; P418-S420 PolarHBondContact O-OG 3.05Å; S420-V422 PolarHBondContact O-N 3.1Å; S420-V422 VanDerWaalsContact O-N 3.1Å
421N41.4Very low49.3Very low155 Ų155114.2 Ų114.283%0.82967%0.666SS**  trans29.666.5164.4-73.9-7.9000115.5A419 T423A419-N421 PolarHBondContact O-N 3.17Å; N421-T423 PolarHBondContact O-N 3.13Å
422V42.8Very low47.2Very low111 Ų111118.9 Ų118.967%0.67369%0.687SS**  trans-74.396.4166.1-177.90000107.8S420 E424S420-V422 PolarHBondContact O-N 3.1Å; S420-V422 VanDerWaalsContact O-N 3.1Å; V422-E424 PolarHBondContact O-N 3.02Å
423T35.8Very low45.6Very low119 Ų119121.9 Ų121.973%0.7370%0.701SS**  trans-56.6136.2169.7-42.10000109.5N421 V425N421-T423 PolarHBondContact O-N 3.13Å; T423-V425 PolarHBondContact O-N 2.97Å
424E30.4Very low43.9Very low177 Ų177122.7 Ų122.783%0.82771%0.706SS**  trans-45.4100.6-179.1-172174.5-163.400113.2V422 Q426V422-E424 PolarHBondContact O-N 3.02Å; E424-Q426 PolarHBondContact O-N 3.21Å
425V34Very low42.3Very low114 Ų114120.7 Ų120.769%0.69171%0.708SS**  trans-86.3106.1171.4179.80000108.1T423 F427T423-V425 PolarHBondContact O-N 2.97Å; V425-F427 PolarHBondContact O-N 3.49Å
426Q30.4Very low40.6Very low164 Ų164124.1 Ų124.177%0.76673%0.733SS**  trans-59.8126178.4-67.7177.3-66.300111.5E424 V428E424-Q426 PolarHBondContact O-N 3.21Å; Q426-V428 PolarHBondContact O-N 3.42Å
427F31.5Very low39.1Very low206 Ų206125.5 Ų125.590%0.90473%0.726SS**  trans-66.6119.9167.7-90.4-103.2000110.4V425V425-F427 PolarHBondContact O-N 3.49Å
428V33.1Very low37.6Very low124 Ų124128.8 Ų128.875%0.75274%0.739SS**  trans-102.9111.7163.9-178.70000108.2Q426 S430Q426-V428 PolarHBondContact O-N 3.42Å; V428-S430 PolarHBondContact O-N 3.34Å
429P36.1Very low36.7Very low103 Ų103130.4 Ų130.467%0.66975%0.753SS**  trans-72.7125.2178.128.1-31.3000110.2N431P429-N431 PolarHBondContact O-N 3.35Å; P429-N431 VanDerWaalsContact O-N 3.13Å
430S33Very low35.5Very low124 Ų124135.4 Ų135.487%0.86776%0.761SS**  trans-76.497.5178.5-66.70000110.8V428V428-S430 PolarHBondContact O-N 3.34Å
431N36.5Very low34.8Very low156 Ų156137 Ų13783%0.83476%0.762SS**  trans-104.1123.3168.9-87.2-23.5000111.9P429P429-N431 PolarHBondContact O-N 3.35Å; P429-N431 VanDerWaalsContact O-N 3.13Å
432L31.5Very low34.4Very low147 Ų147136 Ų13677%0.7776%0.756SS**  trans-59.2128.4178.4-16471.1000112.1
433H37.3Very low34Very low155 Ų155137.3 Ų137.372%0.71876%0.759SS**  156.6131.2125.4-89.4-76.3000116.1
434S35.2Very low33.9Very low109 Ų109139.2 Ų139.276%0.76276%0.759SS**  trans69.2137.514463.50000123
435A33.5Very low34Very low88 Ų88136.3 Ų136.373%0.72775%0.749SS**  trans60.896.7153.100000117.7
436S32Very low34.1Very low104 Ų104136.7 Ų136.773%0.72775%0.747SS**  8814471.773.70000115
437Q35.8Very low34.2Very low165 Ų165134.5 Ų134.577%0.77175%0.745SS**  trans92.591.5167.7-57.6-173-5.600118.4
438N34.1Very low34.3Very low137 Ų137129.1 Ų129.173%0.73373%0.733SS**  74.4134.3116.2-61.9-10000121.9
439S37.4Very low34.4Very low110 Ų110130.7 Ų130.777%0.76974%0.737SS**  trans67.7144.8138.851.60000118.9
440F32.3Very low34.2Very low176 Ų176131.6 Ų131.677%0.77274%0.741SS**  cis-171.9176.4-19.3-148-102.3000105.2
441N36.2Very low34.4Very low134 Ų134130.6 Ų130.672%0.71773%0.734SS**  trans72.9156.3169.7-49.8-53.6000116.9
442L34.2Very low34.3Very low133 Ų133131.8 Ų131.870%0.69673%0.732SS**  cis-166.5141.3-45.6-119.8160.5000107.7
443L33.7Very low34.3Very low139 Ų139131.4 Ų131.473%0.72873%0.731SS**  trans2.2155159.5-77.3165.6000123.8
444Q34.6Very low34.1Very low159 Ų159133 Ų13374%0.74374%0.738SS**  trans78.7138.5152.8-76.6170.5-58.400117.2
445N32.6Very low33.9Very low115 Ų115136 Ų13662%0.61574%0.741SS**  cis-172.8165.830.9-122-5.7000111.7
446N34.5Very low34Very low123 Ų123138.5 Ų138.566%0.65874%0.742SS**  trans63.2105.7145.6-63.3-1.5000119.9
447T33.7Very low34.1Very low117 Ų117140.2 Ų140.272%0.71874%0.743SS**  80.2124.770.661.50000116.6
448S33.3Very low34Very low94 Ų94139.7 Ų139.766%0.65775%0.745SS**  trans58119.6146.758.60000120.5
449N34.3Very low34.1Very low156 Ų156138.1 Ų138.183%0.83474%0.742SS**  -166.7152.3100.5-98-29.3000115.4
450T32.4Very low33.9Very low123 Ų123138.8 Ų138.876%0.75574%0.737SS**  trans-71.3155.6175.150.50000114
451S36.4Very low34.1Very low103 Ų103138.5 Ų138.572%0.7274%0.743SS**  170137.4106.353.90000117.2
452K35.7Very low34Very low181 Ų181138.7 Ų138.779%0.78774%0.744SS**  trans70127.7137.1-73.4174.7178.9-179.90123.3
453N30.4Very low34.1Very low139 Ų139139 Ų13974%0.74375%0.752SS**  trans70146141.6-56.78.2000116.4
454E34.2Very low34.1Very low187 Ų187139.9 Ų139.987%0.87475%0.752SS**  cis-145.5168.936.2-143.2146.4106.900113.3
455Q30.8Very low34.2Very low173 Ų173139.4 Ų139.481%0.80875%0.752SS**  trans-94.4151.1177.2-65.9161.8-99.300110.6
456D35Very low34.2Very low141 Ų141139.7 Ų139.775%0.75475%0.754SS**  -178.4134.7122.1-99.8-10.6000116.6
457N35.1Very low34.4Very low139 Ų139141.8 Ų141.874%0.74376%0.764SS**  trans59115.7142-58.2-45.2000124.1
458L32.9Very low34.6Very low155 Ų155140.5 Ų140.581%0.81276%0.76SS**  trans-66.4173.3148-112.483.8000111
459P36.8Very low34.8Very low103 Ų103145.3 Ų145.367%0.66977%0.769SS**  cis-149177.136.642.8-21.6000119.3
460N32.3Very low35.3Very low125 Ų125146.4 Ų146.467%0.66877%0.773SS**  trans45.9125.5148.3-62.53.1000121.9
461N37.6Very low35.5Very low170 Ų170146.1 Ų146.191%0.90978%0.776SS**  -156.2124.1122.7-101.3-28.8000111.3
462D33.7Very low35.9Very low137 Ų137144.4 Ų144.473%0.73378%0.775SS**  trans-79.1142173.5-63.4-72.7000111.8
463V36.8Very low36.1Very low141 Ų141145.4 Ų145.486%0.85580%0.804SS**  trans-137.4110143.8-178.30000109.2
464H32Very low36.4Very low157 Ų157145.7 Ų145.773%0.72781%0.808SS**  trans-96.2126.3178.5-135.9-76.2000109.2
465I38.7Very low36.5Very low148 Ų148143.5 Ų143.576%0.75980%0.804SS**  trans-132.6118156.8-58.5-177000108.4
466N30.9Very low36.9Very low122 Ų122141.9 Ų141.965%0.65280%0.804SS**  trans-126.8121.5177.4-174.5-1.8000107.4
467L39.8Very low37Very low167 Ų167141.9 Ų141.987%0.87481%0.807SS**  trans-121.494.6177.7-90.4168.9000109.9
468S37Very low37.1Very low89 Ų89142.1 Ų142.162%0.62281%0.811SS**  trans-109143.2169.469.80000110.5
469K38.8Very low37.4Very low195 Ų195141.3 Ų141.385%0.84881%0.811SS**  trans63114.9169.4-63.4176.3175.1175.70118
470I43.8Very low37.4Very low179 Ų179144 Ų14492%0.91882%0.821SS**  -125130.4124.4-63.5-176.5000108
471S37.5Very low37.8Very low117 Ų117145.5 Ų145.582%0.81883%0.832SS**  trans-134.9139.2173.4172.60000107.5
472G43.9Very low37.8Very low68 Ų68143.4 Ų143.470%0.70183%0.826SS**  trans10486.9161.900000116.8
473S41.2Very low38.2Very low201 Ų201144 Ų144100%1.40684%0.835SS**  -167.40120.2-74.10000109.5

Retrieved 473 of 473 residues in 169.7 ms (Link to these results)