A0A3Q0KE55_SCHMA Loading...

Similar to 16 kDa calcium-binding protein

AlphaFold DB , UniProt , Accession A0A3Q0KE55, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 146 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
1M37.8Very low58.2Low224 Ų224105.5 Ų105.5100%1.10354%0.538SS*.  0-300-108.9174.6-178.300114.8
2N42.2Very low60.1Low138 Ų138102.7 Ų102.774%0.73852%0.521SS*.Hα-helixtrans-73.7-29.1-174.2-76.2-3.8000116.6K4 N6N2-K4 PolarHBondContact O-N 2.9Å; N2-N6 PolarHBondContact O-N 3.35Å
3S48.3Very low61.8Low102 Ų102108.8 Ų108.871%0.71353%0.534SS*.Hα-helixtrans-68.1-34.9-174.1-46.30000113.8Y7S3-Y7 PolarHBondContact O-N 3.5Å; S3-Y7 VanDerWaalsContact O-N 3.11Å
4K48Very low63.3Low176 Ų176105.9 Ų105.977%0.76552%0.522SS*.Hα-helixtrans-66.7-41.8-179.5-71.1-170.6178.2-174.30112.6N2 Y7 L8N2-K4 PolarHBondContact O-N 2.9Å; K4-Y7 PolarHBondContact O-N 3.21Å; K4-L8 PolarHBondContact O-N 3.41Å
5K52.7Low64.9Low166 Ų16698.9 Ų98.972%0.72249%0.488SS*.Hα-helixtrans-65.6-41.9178.3-73-170.7176.6-1750111.8S9K5-S9 PolarHBondContact O-N 3.38Å; K5-S9 PolarHBondContact O-OG 3.15Å
6N63.1Low66.3Low100 Ų10097.1 Ų97.154%0.53548%0.48SS..Hα-helixtrans-65.1-40.5179-171.7-93.3000111.6N2 S9 I10N2-N6 PolarHBondContact O-N 3.35Å; N6-S9 PolarHBondContact O-N 3.39Å; N6-S9 PolarHBondContact O-OG 3.27Å; N6-I10 WeakPolarHBondContact O-CG1 3.34Å; N6-I10 PolarHBondContact O-N 2.81Å; N6-I10 VanDerWaalsContact O-N 3.1Å; N6-I10 WeakPolarHBondContact OD1-CD1 3.24Å
7Y60.4Low67.4Low51 Ų5199.1 Ų99.120%0.249%0.492CS..Hα-helixtrans-63.7-46.8177.2176.5-111000113.5S3 K4 S9 I10 L11 A69 K73S3-Y7 PolarHBondContact O-N 3.5Å; S3-Y7 VanDerWaalsContact O-N 3.11Å; K4-Y7 PolarHBondContact O-N 3.21Å; Y7-S9 VanDerWaalsContact C-N 3.25Å; Y7-S9 PolarHBondContact O-N 2.64Å; Y7-I10 WeakPolarHBondContact O-CB 3.45Å; Y7-I10 PolarHBondContact O-N 3.05Å; Y7-L11 HydrophobicContact CD1-CD1 4.01Å; Y7-L11 HydrophobicContact CD1-CG 4.39Å; Y7-L11 HydrophobicContact CD2-CG 4.39Å; Y7-L11 HydrophobicContact CE1-CD1 3.26Å; Y7-L11 HydrophobicContact CE1-CG 3.86Å; Y7-L11 HydrophobicContact CE2-CD1 4.14Å; Y7-L11 HydrophobicContact CE2-CD2 3.94Å; Y7-L11 HydrophobicContact CE2-CG 3.81Å; Y7-L11 PolarHBondContact O-N 2.78Å; Y7-L11 WeakPolarHBondContact OH-CD1 3.41Å; Y7-A69 PolarHBondContact OH-O 2.79Å; Y7-K73 HydrophobicContact CD1-CD 4.41Å; Y7-K73 HydrophobicContact CD2-CD 4.32Å; Y7-K73 VanDerWaalsContact CD2-NZ 3.34Å; Y7-K73 HydrophobicContact CE1-CD 3.79Å; Y7-K73 HydrophobicContact CE1-CG 4.42Å; Y7-K73 HydrophobicContact CE2-CD 3.73Å; Y7-K73 WeakPolarHBondContact OH-CD 3.32Å; Y7-K73 VanDerWaalsContact OH-CE 3.28Å; Y7-K73 WeakPolarHBondContact OH-CE 3.48Å; Y7-K73 WeakPolarHBondContact OH-CG 3.39Å
8L67.5Low68.5Low66 Ų6694.8 Ų94.835%0.34647%0.471SS..Hα-helixtrans-56.5-44.5176.4-73.3171.2000110.6K4 I10 L11 E12 L66K4-L8 PolarHBondContact O-N 3.41Å; L8-I10 PolarHBondContact O-N 3.38Å; L8-L11 PolarHBondContact O-N 2.92Å; L8-E12 VanDerWaalsContact O-CG 3.29Å; L8-E12 WeakPolarHBondContact O-CG 3.28Å; L8-E12 PolarHBondContact O-N 2.71Å; L8-L66 HydrophobicContact CD2-CD2 4.49Å
9S72.3Confident69.7Low50 Ų5090.1 Ų90.135%0.3545%0.448SS..Hα-helixtrans-64-26.7177.266.60000114.1K5 N6 Y7 R13K5-S9 PolarHBondContact O-N 3.38Å; K5-S9 PolarHBondContact O-OG 3.15Å; N6-S9 PolarHBondContact O-N 3.39Å; N6-S9 PolarHBondContact O-OG 3.27Å; Y7-S9 VanDerWaalsContact C-N 3.25Å; Y7-S9 PolarHBondContact O-N 2.64Å; S9-R13 WeakPolarHBondContact O-CD 3.4Å; S9-R13 WeakPolarHBondContact O-CG 3.44Å; S9-R13 PolarHBondContact O-N 3.29Å
10I72.5Confident70.5Confident77 Ų7793.3 Ų93.340%0.39546%0.455SS..Hα-helixtrans-73.2-49.2173.6-68.4164.3000109.7N6 Y7 L8 E12 R13 D14N6-I10 WeakPolarHBondContact O-CG1 3.34Å; N6-I10 PolarHBondContact O-N 2.81Å; N6-I10 VanDerWaalsContact O-N 3.1Å; N6-I10 WeakPolarHBondContact OD1-CD1 3.24Å; Y7-I10 WeakPolarHBondContact O-CB 3.45Å; Y7-I10 PolarHBondContact O-N 3.05Å; L8-I10 PolarHBondContact O-N 3.38Å; I10-E12 VanDerWaalsContact C-N 3.3Å; I10-E12 PolarHBondContact O-N 2.8Å; I10-R13 CarbonylContact O-C 3.57Å; I10-R13 WeakPolarHBondContact O-CA 3.38Å; I10-R13 WeakPolarHBondContact O-CB 3.41Å; I10-R13 PolarHBondContact O-N 2.72Å; I10-D14 PolarHBondContact O-N 3.12Å
11L75.8Confident71.5Confident10 Ų1093.3 Ų93.35%0.05246%0.457CS..Hα-helixtrans-60.5-39.8178.7-71.5-177.5000112.8Y7 L8 R13 D14 F15 F65 L66 A69Y7-L11 HydrophobicContact CD1-CD1 4.01Å; Y7-L11 HydrophobicContact CD1-CG 4.39Å; Y7-L11 HydrophobicContact CD2-CG 4.39Å; Y7-L11 HydrophobicContact CE1-CD1 3.26Å; Y7-L11 HydrophobicContact CE1-CG 3.86Å; Y7-L11 HydrophobicContact CE2-CD1 4.14Å; Y7-L11 HydrophobicContact CE2-CD2 3.94Å; Y7-L11 HydrophobicContact CE2-CG 3.81Å; Y7-L11 PolarHBondContact O-N 2.78Å; Y7-L11 WeakPolarHBondContact OH-CD1 3.41Å; L8-L11 PolarHBondContact O-N 2.92Å; L11-R13 VanDerWaalsContact C-N 3.28Å; L11-R13 PolarHBondContact O-N 3.26Å; L11-D14 PolarHBondContact O-N 3.13Å; L11-F15 PolarHBondContact O-N 2.91Å; L11-F65 HydrophobicContact CB-CE1 4.09Å; L11-F65 HydrophobicContact CD2-CE1 4.12Å; L11-F65 HydrophobicContact CD2-CZ 4.42Å; L11-F65 WeakPolarHBondContact O-CE1 3.2Å; L11-L66 HydrophobicContact CB-CD2 3.6Å; L11-L66 HydrophobicContact CD1-CD2 3.94Å; L11-L66 HydrophobicContact CG-CD2 4.49Å; L11-A69 HydrophobicContact CD1-CB 3.51Å; L11-A69 HydrophobicContact CD2-CB 3.97Å; L11-A69 HydrophobicContact CG-CB 4.38Å
12E80.7Confident74Confident72 Ų7289 Ų8934%0.33643%0.432SS..Hα-helixtrans-61.6-39.9175.2-69.2-172.2117.900111.5L8 I10 F15 D16 K62 L66L8-E12 VanDerWaalsContact O-CG 3.29Å; L8-E12 WeakPolarHBondContact O-CG 3.28Å; L8-E12 PolarHBondContact O-N 2.71Å; I10-E12 VanDerWaalsContact C-N 3.3Å; I10-E12 PolarHBondContact O-N 2.8Å; E12-F15 PolarHBondContact O-N 3.43Å; E12-D16 PolarHBondContact O-N 3.02Å; E12-K62 VanDerWaalsContact OE1-CE 3.24Å; E12-K62 WeakPolarHBondContact OE1-CE 3.49Å; E12-K62 IonicContact OE1-NZ 2.86Å; E12-K62 PolarHBondContact OE1-NZ 2.98Å; E12-L66 HydrophobicContact CG-CD1 4.3Å; E12-L66 HydrophobicContact CG-CD2 4.24Å
13R82.3Confident76.4Confident183 Ų18385.2 Ų85.269%0.69141%0.412SS*.Hα-helixtrans-67.8-39.1175.2-72.8175.3120.3179.11.3112.2S9 I10 L11 F15 D16 L17S9-R13 WeakPolarHBondContact O-CD 3.4Å; S9-R13 WeakPolarHBondContact O-CG 3.44Å; S9-R13 PolarHBondContact O-N 3.29Å; I10-R13 CarbonylContact O-C 3.57Å; I10-R13 WeakPolarHBondContact O-CA 3.38Å; I10-R13 WeakPolarHBondContact O-CB 3.41Å; I10-R13 PolarHBondContact O-N 2.72Å; L11-R13 VanDerWaalsContact C-N 3.28Å; L11-R13 PolarHBondContact O-N 3.26Å; R13-F15 VanDerWaalsContact C-N 3.35Å; R13-D16 PolarHBondContact O-N 3.48Å; R13-L17 VanDerWaalsContact O-CG 3.29Å; R13-L17 WeakPolarHBondContact O-CG 3.15Å; R13-L17 PolarHBondContact O-N 3.2Å
14D82.9Confident78.5Confident67 Ų6782.1 Ų82.136%0.35840%0.396SS..Hα-helixtrans-61.8-46.4175.3-66.7-21.5000109.9I10 L11 D16 L17 L18 F65I10-D14 PolarHBondContact O-N 3.12Å; L11-D14 PolarHBondContact O-N 3.13Å; D14-D16 PolarHBondContact O-N 2.95Å; D14-L17 WeakPolarHBondContact O-CB 3.23Å; D14-L17 PolarHBondContact O-N 2.95Å; D14-L17 VanDerWaalsContact O-N 3.13Å; D14-L18 VanDerWaalsContact O-CG 3.23Å; D14-L18 WeakPolarHBondContact O-CG 3.29Å; D14-L18 PolarHBondContact O-N 3.29Å; D14-L18 VanDerWaalsContact O-N 3.08Å; D14-F65 HydrophobicContact CB-CZ 4.47Å
15F87.2Confident80.7Confident2 Ų277.5 Ų77.51%0.00937%0.374CS..Hα-helixtrans-57-47.9173.9-175.5-86.2000111.8L11 E12 R13 L17 L18 D19 G24 L26 K62 F65L11-F15 PolarHBondContact O-N 2.91Å; E12-F15 PolarHBondContact O-N 3.43Å; R13-F15 VanDerWaalsContact C-N 3.35Å; F15-L17 PolarHBondContact O-N 3.42Å; F15-L18 WeakPolarHBondContact O-CB 3.41Å; F15-L18 PolarHBondContact O-N 2.93Å; F15-D19 HydrophobicContact CD1-CB 4.35Å; F15-D19 HydrophobicContact CE1-CB 3.98Å; F15-D19 PolarHBondContact O-N 2.88Å; F15-G24 WeakPolarHBondContact CZ-O 3.44Å; F15-L26 HydrophobicContact CD2-CD1 3.97Å; F15-L26 HydrophobicContact CD2-CD2 4.43Å; F15-L26 HydrophobicContact CD2-CG 4.05Å; F15-L26 HydrophobicContact CE2-CD1 3.98Å; F15-L26 HydrophobicContact CE2-CD2 4.12Å; F15-L26 HydrophobicContact CE2-CG 3.6Å; F15-L26 HydrophobicContact CZ-CD2 4.25Å; F15-L26 HydrophobicContact CZ-CG 4.1Å; F15-K62 HydrophobicContact CD1-CB 4.12Å; F15-K62 HydrophobicContact CD1-CD 4.28Å; F15-K62 HydrophobicContact CD1-CG 4.1Å; F15-K62 HydrophobicContact CD2-CB 4.36Å; F15-K62 HydrophobicContact CE1-CB 3.84Å; F15-K62 HydrophobicContact CE1-CG 4.33Å; F15-K62 VanDerWaalsContact CE2-CA 3.47Å; F15-K62 HydrophobicContact CE2-CB 4.07Å; F15-K62 HydrophobicContact CG-CB 4.38Å; F15-K62 HydrophobicContact CG-CG 4.22Å; F15-K62 HydrophobicContact CZ-CB 3.81Å; F15-F65 HydrophobicContact CB-CD1 3.97Å; F15-F65 HydrophobicContact CB-CE1 4.14Å; F15-F65 HydrophobicContact CD2-CB 3.71Å; F15-F65 AromaticContact CD2-CD1 3.99Å; F15-F65 HydrophobicContact CD2-CD1 3.99Å; F15-F65 HydrophobicContact CD2-CD2 4.42Å; F15-F65 AromaticContact CD2-CG 3.79Å; F15-F65 HydrophobicContact CD2-CG 3.79Å; F15-F65 HydrophobicContact CE2-CB 4.11Å; F15-F65 HydrophobicContact CG-CD1 4.45Å
16D87.9Confident82.6Confident70 Ų7069.6 Ų69.637%0.37434%0.34SS..Hα-helixtrans-63.3-28.5179.3-68-19.5000112.5E12 R13 D14 K22E12-D16 PolarHBondContact O-N 3.02Å; R13-D16 PolarHBondContact O-N 3.48Å; D14-D16 PolarHBondContact O-N 2.95Å; D16-K22 PolarHBondContact O-NZ 2.89Å
17L85.1Confident84Confident130 Ų13066 Ų6668%0.68132%0.322SS*.Hα-helixtrans-74.5-31.2174.1-72.9170.3000112.5R13 D14 F15R13-L17 VanDerWaalsContact O-CG 3.29Å; R13-L17 WeakPolarHBondContact O-CG 3.15Å; R13-L17 PolarHBondContact O-N 3.2Å; D14-L17 WeakPolarHBondContact O-CB 3.23Å; D14-L17 PolarHBondContact O-N 2.95Å; D14-L17 VanDerWaalsContact O-N 3.13Å; F15-L17 PolarHBondContact O-N 3.42Å
18L86.7Confident85.5Confident22 Ų2268 Ų6812%0.11533%0.332CS..Hα-helixtrans-77.4-42177.4-62.3172.3000111.7D14 F15 R20 L26 C34 F65D14-L18 VanDerWaalsContact O-CG 3.23Å; D14-L18 WeakPolarHBondContact O-CG 3.29Å; D14-L18 PolarHBondContact O-N 3.29Å; D14-L18 VanDerWaalsContact O-N 3.08Å; F15-L18 WeakPolarHBondContact O-CB 3.41Å; F15-L18 PolarHBondContact O-N 2.93Å; L18-R20 VanDerWaalsContact C-N 3.28Å; L18-R20 PolarHBondContact O-N 2.79Å; L18-L26 VanDerWaalsContact C-CD2 3.44Å; L18-L26 HydrophobicContact CB-CD1 3.72Å; L18-L26 HydrophobicContact CB-CD2 3.43Å; L18-L26 VanDerWaalsContact CB-CD2 3.43Å; L18-L26 HydrophobicContact CB-CG 4.22Å; L18-L26 HydrophobicContact CD1-CD1 3.63Å; L18-L26 HydrophobicContact CG-CD1 4.3Å; L18-C34 HydrophobicContact CD2-CB 3.29Å; L18-C34 WeakPolarHBondContact CD2-SG 3.17Å; L18-F65 HydrophobicContact CD1-CE2 4.28Å
19D90.8Very high86.7Confident6 Ų670.5 Ų70.53%0.03234%0.34CS..  trans-75.280.4176.6-178.17.2000109.6F15 N21 K22 N23 G24 L26F15-D19 HydrophobicContact CD1-CB 4.35Å; F15-D19 HydrophobicContact CE1-CB 3.98Å; F15-D19 PolarHBondContact O-N 2.88Å; D19-N21 PolarHBondContact OD1-OD1 2.84Å; D19-N21 VanDerWaalsContact OD1-OD1 3.07Å; D19-K22 WeakPolarHBondContact O-CD 3.45Å; D19-K22 WeakPolarHBondContact O-CE 3.36Å; D19-K22 PolarHBondContact O-NZ 3.44Å; D19-K22 VanDerWaalsContact OD1-CA 3.24Å; D19-K22 WeakPolarHBondContact OD1-CA 3.36Å; D19-K22 PolarHBondContact OD1-N 3.47Å; D19-K22 WeakPolarHBondContact OD2-CA 3.33Å; D19-N23 PolarHBondContact OD1-N 3.5Å; D19-N23 PolarHBondContact OD2-N 3.42Å; D19-G24 WeakPolarHBondContact OD2-CA 3.45Å; D19-G24 PolarHBondContact OD2-N 3.38Å; D19-L26 HydrophobicContact CB-CD2 3.71Å
20R86.7Confident87.6Confident154 Ų15468.8 Ų68.858%0.58133%0.327SS*.SBendtrans-73-34.8-176.3-70.5-171.7-179.4178.73.2111.9L18 K22 E30 S37L18-R20 VanDerWaalsContact C-N 3.28Å; L18-R20 PolarHBondContact O-N 2.79Å; R20-K22 VanDerWaalsContact C-N 3.33Å; R20-E30 PolarHBondContact N-OE1 3.31Å; R20-S37 PolarHBondContact NH2-OG 3.07Å
21N90.9Very high88.4Confident94 Ų9465.4 Ų65.450%0.50331%0.309SS..SBendtrans-85.5-7.6-179.269.430.8000113D19 N23 E30D19-N21 PolarHBondContact OD1-OD1 2.84Å; D19-N21 VanDerWaalsContact OD1-OD1 3.07Å; N21-N23 VanDerWaalsContact C-N 3.31Å; N21-N23 PolarHBondContact ND2-ND2 2.81Å; N21-N23 VanDerWaalsContact ND2-ND2 3.18Å; N21-N23 PolarHBondContact O-N 2.92Å; N21-N23 WeakPolarHBondContact OD1-CB 3.37Å; N21-N23 PolarHBondContact OD1-N 2.81Å; N21-N23 PolarHBondContact OD1-ND2 2.91Å; N21-N23 PolarHBondContact OD1-OD1 3.44Å; N21-E30 VanDerWaalsContact CG-OE1 3.23Å; N21-E30 PolarHBondContact N-OE1 3.05Å; N21-E30 PolarHBondContact ND2-OE1 3.15Å
22K89.9Confident89.1Confident132 Ų13267.5 Ų67.557%0.57432%0.319SS*.  trans63.332.2176.8-55.8-64178.7-167.10113.7D16 D19 R20 G24D16-K22 PolarHBondContact O-NZ 2.89Å; D19-K22 WeakPolarHBondContact O-CD 3.45Å; D19-K22 WeakPolarHBondContact O-CE 3.36Å; D19-K22 PolarHBondContact O-NZ 3.44Å; D19-K22 VanDerWaalsContact OD1-CA 3.24Å; D19-K22 WeakPolarHBondContact OD1-CA 3.36Å; D19-K22 PolarHBondContact OD1-N 3.47Å; D19-K22 WeakPolarHBondContact OD2-CA 3.33Å; R20-K22 VanDerWaalsContact C-N 3.33Å; K22-G24 VanDerWaalsContact C-N 3.34Å
23N93.7Very high89.5Confident59 Ų5966.3 Ų66.332%0.31632%0.315SS..SBendtrans-85.9-5.8179.171.611.3000113.2D19 N21 W25D19-N23 PolarHBondContact OD1-N 3.5Å; D19-N23 PolarHBondContact OD2-N 3.42Å; N21-N23 VanDerWaalsContact C-N 3.31Å; N21-N23 PolarHBondContact ND2-ND2 2.81Å; N21-N23 VanDerWaalsContact ND2-ND2 3.18Å; N21-N23 PolarHBondContact O-N 2.92Å; N21-N23 WeakPolarHBondContact OD1-CB 3.37Å; N21-N23 PolarHBondContact OD1-N 2.81Å; N21-N23 PolarHBondContact OD1-ND2 2.91Å; N21-N23 PolarHBondContact OD1-OD1 3.44Å; N23-W25 VanDerWaalsContact CG-CE2 3.5Å; N23-W25 WeakPolarHBondContact ND2-CZ2 3.41Å; N23-W25 PolarHBondContact ND2-NE1 3.41Å; N23-W25 PolarHBondContact OD1-N 3.17Å; N23-W25 PolarHBondContact OD1-O 2.83Å
24G91.8Very high89.6Confident38 Ų3858.7 Ų58.739%0.39229%0.289SS..SBendtrans89.75.1178.400000115.7F15 D19 K22F15-G24 WeakPolarHBondContact CZ-O 3.44Å; D19-G24 WeakPolarHBondContact OD2-CA 3.45Å; D19-G24 PolarHBondContact OD2-N 3.38Å; K22-G24 VanDerWaalsContact C-N 3.34Å
25W94.1Very high89.5Confident79 Ų7956.5 Ų56.530%0.29928%0.278SS..EExtended strand (participates in β ladder)trans-149.3144.7179.854.5-87.8000111.9N23 K59 I60 T61N23-W25 VanDerWaalsContact CG-CE2 3.5Å; N23-W25 WeakPolarHBondContact ND2-CZ2 3.41Å; N23-W25 PolarHBondContact ND2-NE1 3.41Å; N23-W25 PolarHBondContact OD1-N 3.17Å; N23-W25 PolarHBondContact OD1-O 2.83Å; W25-K59 HydrophobicContact CB-CB 4.2Å; W25-K59 HydrophobicContact CD2-CB 4.13Å; W25-K59 HydrophobicContact CD2-CD 3.71Å; W25-K59 HydrophobicContact CD2-CG 3.92Å; W25-K59 HydrophobicContact CE3-CB 3.73Å; W25-K59 HydrophobicContact CE3-CD 3.79Å; W25-K59 HydrophobicContact CE3-CG 3.47Å; W25-K59 VanDerWaalsContact CE3-CG 3.47Å; W25-K59 HydrophobicContact CG-CB 4.35Å; W25-K59 HydrophobicContact CG-CD 4.14Å; W25-K59 HydrophobicContact CH2-CD 4.44Å; W25-K59 HydrophobicContact CH2-CG 4.45Å; W25-K59 HydrophobicContact CZ2-CD 4.38Å; W25-K59 HydrophobicContact CZ3-CB 4.44Å; W25-K59 HydrophobicContact CZ3-CD 4.14Å; W25-K59 HydrophobicContact CZ3-CG 3.75Å; W25-I60 CarbonylContact C-O 3.59Å; W25-I60 WeakPolarHBondContact CA-O 3.37Å; W25-T61 HydrophobicContact CB-CG2 4.49Å
26L92.4Very high89.2Confident0 Ų060.7 Ų60.70%030%0.299CS..EExtended strand (participates in β ladder)trans-88.3121.2178-50177.6000109.8F15 L18 D19 V31 I60F15-L26 HydrophobicContact CD2-CD1 3.97Å; F15-L26 HydrophobicContact CD2-CD2 4.43Å; F15-L26 HydrophobicContact CD2-CG 4.05Å; F15-L26 HydrophobicContact CE2-CD1 3.98Å; F15-L26 HydrophobicContact CE2-CD2 4.12Å; F15-L26 HydrophobicContact CE2-CG 3.6Å; F15-L26 HydrophobicContact CZ-CD2 4.25Å; F15-L26 HydrophobicContact CZ-CG 4.1Å; L18-L26 VanDerWaalsContact C-CD2 3.44Å; L18-L26 HydrophobicContact CB-CD1 3.72Å; L18-L26 HydrophobicContact CB-CD2 3.43Å; L18-L26 VanDerWaalsContact CB-CD2 3.43Å; L18-L26 HydrophobicContact CB-CG 4.22Å; L18-L26 HydrophobicContact CD1-CD1 3.63Å; L18-L26 HydrophobicContact CG-CD1 4.3Å; D19-L26 HydrophobicContact CB-CD2 3.71Å; L26-V31 HydrophobicContact CB-CG2 4.03Å; L26-V31 HydrophobicContact CD1-CG2 4.49Å; L26-I60 HydrophobicContact CB-CB 4.2Å; L26-I60 PolarHBondContact N-O 3.02Å; L26-I60 PolarHBondContact O-N 2.88Å
27S92.9Very high88.7Confident24 Ų2461 Ų6117%0.16831%0.307CS..EExtended strand (participates in β ladder)trans-74157.416663.70000111.1K29 E30 V31S27-K29 PolarHBondContact O-N 2.89Å; S27-E30 WeakPolarHBondContact CB-OE2 3.34Å; S27-E30 PolarHBondContact N-OE2 2.97Å; S27-E30 PolarHBondContact O-N 2.86Å; S27-E30 WeakPolarHBondContact OG-CG 3.27Å; S27-E30 PolarHBondContact OG-N 3.33Å; S27-E30 VanDerWaalsContact OG-N 3.14Å; S27-E30 PolarHBondContact OG-OE2 3.25Å; S27-V31 PolarHBondContact O-N 3.31Å
28K91.8Very high88.1Confident93 Ų9362.1 Ų62.140%0.40431%0.306SS..Hα-helixtrans-48.1-36.4167.4-170.7176.1-169.4162.50112.6Q32 T45 M49K28-Q32 VanDerWaalsContact O-CB 3.3Å; K28-Q32 WeakPolarHBondContact O-CB 3.34Å; K28-Q32 PolarHBondContact O-N 3.44Å; K28-T45 HydrophobicContact CD-CG2 4.5Å; K28-T45 HydrophobicContact CG-CG2 3.52Å; K28-T45 WeakPolarHBondContact O-CG2 3.49Å; K28-M49 HydrophobicContact CB-CG 4.5Å; K28-M49 HydrophobicContact CB-SD 4.29Å; K28-M49 HydrophobicContact CG-CG 4.24Å
29K91.9Very high87.3Confident119 Ų11964.3 Ų64.352%0.51734%0.335SS..Hα-helixtrans-70.5-39.8-179.8-172.661.2-178.5173.60112.4S27 Q32 N33S27-K29 PolarHBondContact O-N 2.89Å; K29-Q32 PolarHBondContact O-N 3.24Å; K29-N33 WeakPolarHBondContact CE-OD1 3.45Å; K29-N33 WeakPolarHBondContact O-CB 3.17Å; K29-N33 PolarHBondContact O-N 3.41Å; K29-N33 PolarHBondContact O-ND2 3.25Å; K29-N33 PolarHBondContact O-OD1 3.38Å
30E91.8Very high86.6Confident14 Ų1469.9 Ų69.97%0.06536%0.359CS..Hα-helixtrans-66.8-43.3176-77.2160.1138.600111.6R20 N21 S27 Q32 N33 C34R20-E30 PolarHBondContact N-OE1 3.31Å; N21-E30 VanDerWaalsContact CG-OE1 3.23Å; N21-E30 PolarHBondContact N-OE1 3.05Å; N21-E30 PolarHBondContact ND2-OE1 3.15Å; S27-E30 WeakPolarHBondContact CB-OE2 3.34Å; S27-E30 PolarHBondContact N-OE2 2.97Å; S27-E30 PolarHBondContact O-N 2.86Å; S27-E30 WeakPolarHBondContact OG-CG 3.27Å; S27-E30 PolarHBondContact OG-N 3.33Å; S27-E30 VanDerWaalsContact OG-N 3.14Å; S27-E30 PolarHBondContact OG-OE2 3.25Å; E30-Q32 PolarHBondContact O-N 3.26Å; E30-N33 PolarHBondContact O-N 2.73Å; E30-C34 WeakPolarHBondContact O-CB 3.41Å; E30-C34 PolarHBondContact O-N 2.86Å
31V89.5Confident86.2Confident5 Ų565 Ų653%0.0334%0.344CS..Hα-helixtrans-58.8-47.9172.71760000110.7L26 S27 N33 C34 L35 T45 F48 M49 I60L26-V31 HydrophobicContact CB-CG2 4.03Å; L26-V31 HydrophobicContact CD1-CG2 4.49Å; S27-V31 PolarHBondContact O-N 3.31Å; V31-N33 PolarHBondContact O-N 2.9Å; V31-C34 WeakPolarHBondContact O-CB 3.49Å; V31-C34 PolarHBondContact O-N 3.42Å; V31-L35 HydrophobicContact CG1-CD1 4.37Å; V31-L35 WeakPolarHBondContact O-CG 3.03Å; V31-L35 PolarHBondContact O-N 3.43Å; V31-T45 HydrophobicContact CB-CG2 4.31Å; V31-T45 HydrophobicContact CG1-CG2 4.07Å; V31-F48 HydrophobicContact CB-CD1 4.4Å; V31-F48 HydrophobicContact CG1-CB 3.98Å; V31-F48 HydrophobicContact CG1-CD1 3.44Å; V31-F48 VanDerWaalsContact CG1-CD1 3.44Å; V31-F48 HydrophobicContact CG1-CE1 4.06Å; V31-F48 HydrophobicContact CG1-CG 3.76Å; V31-F48 HydrophobicContact CG2-CD1 4.01Å; V31-F48 HydrophobicContact CG2-CE1 4.06Å; V31-M49 HydrophobicContact CG2-SD 4.24Å; V31-I60 HydrophobicContact CG2-CD1 4.06Å
32Q90.3Very high85.9Confident55 Ų5563 Ų6326%0.25734%0.336SS..Hα-helixtrans-61.1-46.6178-174.8-179.865.500112.5K28 K29 E30 C34 L35 I36 P42 T45K28-Q32 VanDerWaalsContact O-CB 3.3Å; K28-Q32 WeakPolarHBondContact O-CB 3.34Å; K28-Q32 PolarHBondContact O-N 3.44Å; K29-Q32 PolarHBondContact O-N 3.24Å; E30-Q32 PolarHBondContact O-N 3.26Å; Q32-C34 VanDerWaalsContact C-N 3.26Å; Q32-C34 PolarHBondContact O-N 3.19Å; Q32-L35 PolarHBondContact O-N 3.43Å; Q32-I36 HydrophobicContact CG-CD1 4.06Å; Q32-I36 WeakPolarHBondContact O-CG1 3.33Å; Q32-I36 PolarHBondContact O-N 3.34Å; Q32-P42 HydrophobicContact CG-CB 3.74Å; Q32-T45 VanDerWaalsContact CA-OG1 3.32Å; Q32-T45 WeakPolarHBondContact CA-OG1 3.35Å; Q32-T45 HydrophobicContact CB-CG2 4.1Å; Q32-T45 WeakPolarHBondContact CB-OG1 3.48Å
33N89.2Confident85.8Confident47 Ų4765.8 Ų65.825%0.25134%0.343SS..Hα-helixtrans-62.4-36.5178.5-71.5-17.8000111.5K29 E30 V31 S37K29-N33 WeakPolarHBondContact CE-OD1 3.45Å; K29-N33 WeakPolarHBondContact O-CB 3.17Å; K29-N33 PolarHBondContact O-N 3.41Å; K29-N33 PolarHBondContact O-ND2 3.25Å; K29-N33 PolarHBondContact O-OD1 3.38Å; E30-N33 PolarHBondContact O-N 2.73Å; V31-N33 PolarHBondContact O-N 2.9Å; N33-S37 WeakPolarHBondContact O-CB 3.45Å; N33-S37 PolarHBondContact O-N 3.43Å; N33-S37 PolarHBondContact O-OG 3.38Å
34C84.2Confident85.2Confident22 Ų2268.6 Ų68.615%0.14935%0.35CS..Hα-helixtrans-60.1-55.7171.9168.40000111.1L18 E30 V31 Q32 I36 S37 F38L18-C34 HydrophobicContact CD2-CB 3.29Å; L18-C34 WeakPolarHBondContact CD2-SG 3.17Å; E30-C34 WeakPolarHBondContact O-CB 3.41Å; E30-C34 PolarHBondContact O-N 2.86Å; V31-C34 WeakPolarHBondContact O-CB 3.49Å; V31-C34 PolarHBondContact O-N 3.42Å; Q32-C34 VanDerWaalsContact C-N 3.26Å; Q32-C34 PolarHBondContact O-N 3.19Å; C34-I36 VanDerWaalsContact C-N 3.27Å; C34-I36 PolarHBondContact O-N 3.33Å; C34-S37 WeakPolarHBondContact O-CA 3.4Å; C34-S37 WeakPolarHBondContact O-CB 3.34Å; C34-S37 PolarHBondContact O-N 3.26Å; C34-F38 VanDerWaalsContact O-CD2 3.31Å; C34-F38 WeakPolarHBondContact O-CD2 3.35Å; C34-F38 PolarHBondContact O-N 2.86Å; C34-F38 WeakPolarHBondContact SG-CD2 3.27Å; C34-F38 VanDerWaalsContact SG-CE2 3.52Å
35L81.5Confident84.9Confident22 Ų2266.9 Ų66.912%0.11533%0.332CS..Hα-helixtrans-53.4-46.7-179.2-70.5173.6000111.4V31 Q32 S37 F38 G39 F40 T45V31-L35 HydrophobicContact CG1-CD1 4.37Å; V31-L35 WeakPolarHBondContact O-CG 3.03Å; V31-L35 PolarHBondContact O-N 3.43Å; Q32-L35 PolarHBondContact O-N 3.43Å; L35-S37 VanDerWaalsContact C-N 3.35Å; L35-S37 PolarHBondContact O-N 2.96Å; L35-F38 CarbonylContact O-C 3.53Å; L35-F38 PolarHBondContact O-N 2.85Å; L35-G39 PolarHBondContact O-N 3.03Å; L35-G39 VanDerWaalsContact O-N 3.1Å; L35-F40 CarbonylContact C-O 3.59Å; L35-F40 HydrophobicContact CB-CB 3.99Å; L35-F40 HydrophobicContact CD2-CB 3.9Å; L35-F40 HydrophobicContact CD2-CD2 4.21Å; L35-F40 HydrophobicContact CD2-CG 4.24Å; L35-F40 WeakPolarHBondContact O-CA 3.35Å; L35-F40 WeakPolarHBondContact O-CB 3.41Å; L35-F40 PolarHBondContact O-N 2.89Å; L35-T45 WeakPolarHBondContact CD1-OG1 3.2Å
36I80.3Confident84.6Confident90 Ų9068.3 Ų68.346%0.46234%0.342SS..Hα-helixtrans-59.8-43.7175.4-65.3167000111.5Q32 C34 F38 G39 P42Q32-I36 HydrophobicContact CG-CD1 4.06Å; Q32-I36 WeakPolarHBondContact O-CG1 3.33Å; Q32-I36 PolarHBondContact O-N 3.34Å; C34-I36 VanDerWaalsContact C-N 3.27Å; C34-I36 PolarHBondContact O-N 3.33Å; I36-F38 PolarHBondContact O-N 2.82Å; I36-G39 PolarHBondContact O-N 2.92Å; I36-P42 HydrophobicContact CD1-CB 4.26Å; I36-P42 HydrophobicContact CG1-CB 4.21Å
37S76.6Confident84.1Confident76 Ų7673.9 Ų73.953%0.53137%0.368SS..Hα-helixtrans-63.3-31.1-179.7-56.90000112.6R20 N33 C34 L35R20-S37 PolarHBondContact NH2-OG 3.07Å; N33-S37 WeakPolarHBondContact O-CB 3.45Å; N33-S37 PolarHBondContact O-N 3.43Å; N33-S37 PolarHBondContact O-OG 3.38Å; C34-S37 WeakPolarHBondContact O-CA 3.4Å; C34-S37 WeakPolarHBondContact O-CB 3.34Å; C34-S37 PolarHBondContact O-N 3.26Å; L35-S37 VanDerWaalsContact C-N 3.35Å; L35-S37 PolarHBondContact O-N 2.96Å
38F73.9Confident83.6Confident153 Ų15375.2 Ų75.267%0.67137%0.371SS*.THydrogen-bonded Turntrans-89.91.1175.2-74.7-79.6000113.5C34 L35 I36 F40C34-F38 VanDerWaalsContact O-CD2 3.31Å; C34-F38 WeakPolarHBondContact O-CD2 3.35Å; C34-F38 PolarHBondContact O-N 2.86Å; C34-F38 WeakPolarHBondContact SG-CD2 3.27Å; C34-F38 VanDerWaalsContact SG-CE2 3.52Å; L35-F38 CarbonylContact O-C 3.53Å; L35-F38 PolarHBondContact O-N 2.85Å; I36-F38 PolarHBondContact O-N 2.82Å; F38-F40 HydrophobicContact CB-CD2 3.64Å; F38-F40 HydrophobicContact CB-CE2 3.78Å
39G69.4Low83.4Confident69 Ų6971 Ų7171%0.71135%0.353SS*.THydrogen-bonded Turntrans81.914.5179.100000115.1L35 I36L35-G39 PolarHBondContact O-N 3.03Å; L35-G39 VanDerWaalsContact O-N 3.1Å; I36-G39 PolarHBondContact O-N 2.92Å
40F76.5Confident83Confident123 Ų12368.6 Ų68.654%0.53936%0.355SS..  trans-85.7153.1172.9-64.9-76.6000112L35 F38L35-F40 CarbonylContact C-O 3.59Å; L35-F40 HydrophobicContact CB-CB 3.99Å; L35-F40 HydrophobicContact CD2-CB 3.9Å; L35-F40 HydrophobicContact CD2-CD2 4.21Å; L35-F40 HydrophobicContact CD2-CG 4.24Å; L35-F40 WeakPolarHBondContact O-CA 3.35Å; L35-F40 WeakPolarHBondContact O-CB 3.41Å; L35-F40 PolarHBondContact O-N 2.89Å; F38-F40 HydrophobicContact CB-CD2 3.64Å; F38-F40 HydrophobicContact CB-CE2 3.78Å
41D78.4Confident82.5Confident51 Ų5174.1 Ų74.127%0.27338%0.381SS..  trans-67.6131.2177.4-167.7-59.8000111.3R43 Y44D41-R43 PolarHBondContact O-N 2.84Å; D41-R43 VanDerWaalsContact O-N 3.07Å; D41-R43 WeakPolarHBondContact OD1-CB 3.25Å; D41-R43 WeakPolarHBondContact OD1-CG 3.34Å; D41-R43 IonicContact OD1-CZ 3.9Å; D41-R43 PolarHBondContact OD1-N 3.49Å; D41-R43 IonicContact OD1-NE 2.94Å; D41-R43 PolarHBondContact OD1-NE 3.43Å; D41-R43 IonicContact OD2-CZ 3.23Å; D41-R43 VanDerWaalsContact OD2-CZ 3.23Å; D41-R43 IonicContact OD2-NE 3Å; D41-R43 PolarHBondContact OD2-NE 3.34Å; D41-R43 IonicContact OD2-NH2 2.67Å; D41-R43 PolarHBondContact OD2-NH2 3.35Å; D41-Y44 HydrophobicContact CB-CD2 3.72Å; D41-Y44 HydrophobicContact CB-CE2 3.67Å; D41-Y44 VanDerWaalsContact O-CD2 3.29Å; D41-Y44 WeakPolarHBondContact O-CD2 3.38Å; D41-Y44 PolarHBondContact O-N 2.97Å; D41-Y44 VanDerWaalsContact O-N 3.13Å
42P84Confident82.3Confident52 Ų5274.6 Ų74.634%0.33838%0.382SS..THydrogen-bonded Turntrans-62.9-12.5178.725.9-35.2000114.5Q32 I36 Y44 T45Q32-P42 HydrophobicContact CG-CB 3.74Å; I36-P42 HydrophobicContact CD1-CB 4.26Å; I36-P42 HydrophobicContact CG1-CB 4.21Å; P42-Y44 VanDerWaalsContact C-N 3.26Å; P42-Y44 PolarHBondContact O-N 2.89Å; P42-T45 VanDerWaalsContact O-CB 3.29Å; P42-T45 WeakPolarHBondContact O-CB 3.4Å; P42-T45 PolarHBondContact O-N 2.9Å; P42-T45 PolarHBondContact O-OG1 2.93Å
43R86.7Confident82.1Confident190 Ų19072.3 Ų72.372%0.71737%0.372SS*.THydrogen-bonded Turntrans-65.7-29.3173.4-67.9175.1-68.8166.21.9112.4D41 T45 Q46D41-R43 PolarHBondContact O-N 2.84Å; D41-R43 VanDerWaalsContact O-N 3.07Å; D41-R43 WeakPolarHBondContact OD1-CB 3.25Å; D41-R43 WeakPolarHBondContact OD1-CG 3.34Å; D41-R43 IonicContact OD1-CZ 3.9Å; D41-R43 PolarHBondContact OD1-N 3.49Å; D41-R43 IonicContact OD1-NE 2.94Å; D41-R43 PolarHBondContact OD1-NE 3.43Å; D41-R43 IonicContact OD2-CZ 3.23Å; D41-R43 VanDerWaalsContact OD2-CZ 3.23Å; D41-R43 IonicContact OD2-NE 3Å; D41-R43 PolarHBondContact OD2-NE 3.34Å; D41-R43 IonicContact OD2-NH2 2.67Å; D41-R43 PolarHBondContact OD2-NH2 3.35Å; R43-T45 PolarHBondContact O-N 3.31Å; R43-T45 VanDerWaalsContact O-N 3.14Å; R43-Q46 PolarHBondContact O-N 2.9Å
44Y81.9Confident81.9Confident118 Ų11874.8 Ų74.846%0.46339%0.388SS..Hα-helixtrans-67.4-10.3175.7-63-62.6000113.2D41 P42 Q46 E47 F48D41-Y44 HydrophobicContact CB-CD2 3.72Å; D41-Y44 HydrophobicContact CB-CE2 3.67Å; D41-Y44 VanDerWaalsContact O-CD2 3.29Å; D41-Y44 WeakPolarHBondContact O-CD2 3.38Å; D41-Y44 PolarHBondContact O-N 2.97Å; D41-Y44 VanDerWaalsContact O-N 3.13Å; P42-Y44 VanDerWaalsContact C-N 3.26Å; P42-Y44 PolarHBondContact O-N 2.89Å; Y44-Q46 PolarHBondContact O-N 2.9Å; Y44-E47 PolarHBondContact O-N 3.5Å; Y44-F48 PolarHBondContact O-N 3.42Å
45T86.2Confident82Confident2 Ų278 Ų781%0.01240%0.404CS..Hα-helixtrans-57-39.5174.6-59.20000111.8K28 V31 Q32 L35 P42 R43 F48 M49K28-T45 HydrophobicContact CD-CG2 4.5Å; K28-T45 HydrophobicContact CG-CG2 3.52Å; K28-T45 WeakPolarHBondContact O-CG2 3.49Å; V31-T45 HydrophobicContact CB-CG2 4.31Å; V31-T45 HydrophobicContact CG1-CG2 4.07Å; Q32-T45 VanDerWaalsContact CA-OG1 3.32Å; Q32-T45 WeakPolarHBondContact CA-OG1 3.35Å; Q32-T45 HydrophobicContact CB-CG2 4.1Å; Q32-T45 WeakPolarHBondContact CB-OG1 3.48Å; L35-T45 WeakPolarHBondContact CD1-OG1 3.2Å; P42-T45 VanDerWaalsContact O-CB 3.29Å; P42-T45 WeakPolarHBondContact O-CB 3.4Å; P42-T45 PolarHBondContact O-N 2.9Å; P42-T45 PolarHBondContact O-OG1 2.93Å; R43-T45 PolarHBondContact O-N 3.31Å; R43-T45 VanDerWaalsContact O-N 3.14Å; T45-F48 PolarHBondContact O-N 3.33Å; T45-M49 HydrophobicContact CG2-CG 4.36Å; T45-M49 VanDerWaalsContact O-CG 3.32Å; T45-M49 WeakPolarHBondContact O-CG 3.23Å; T45-M49 PolarHBondContact O-N 2.87Å
46Q86.6Confident82.3Confident109 Ų10983 Ų8351%0.50943%0.431SS..Hα-helixtrans-68.8-40.4-178-171.362.344.900111.9R43 Y44 F48 M49 A50R43-Q46 PolarHBondContact O-N 2.9Å; Y44-Q46 PolarHBondContact O-N 2.9Å; Q46-F48 VanDerWaalsContact C-N 3.31Å; Q46-M49 PolarHBondContact O-N 2.71Å; Q46-A50 WeakPolarHBondContact O-CB 3.32Å; Q46-A50 PolarHBondContact O-N 3.32Å
47E82.2Confident82.8Confident118 Ų11882 Ų8255%0.55143%0.426SS*.Hα-helixtrans-63.2-42175.5-66.8177.2-164.500110.7Y44 A50 H51Y44-E47 PolarHBondContact O-N 3.5Å; E47-A50 PolarHBondContact O-N 3.37Å; E47-H51 PolarHBondContact O-N 3.11Å; E47-H51 VanDerWaalsContact O-N 3.13Å; E47-H51 PolarHBondContact O-ND1 3.14Å
48F82.5Confident83.4Confident51 Ų5183.9 Ų83.922%0.22443%0.431CS..Hα-helixtrans-61.4-50.5175.2-164.6-83.8000111.6V31 Y44 T45 Q46 A50 H51 F52 I60 F65V31-F48 HydrophobicContact CB-CD1 4.4Å; V31-F48 HydrophobicContact CG1-CB 3.98Å; V31-F48 HydrophobicContact CG1-CD1 3.44Å; V31-F48 VanDerWaalsContact CG1-CD1 3.44Å; V31-F48 HydrophobicContact CG1-CE1 4.06Å; V31-F48 HydrophobicContact CG1-CG 3.76Å; V31-F48 HydrophobicContact CG2-CD1 4.01Å; V31-F48 HydrophobicContact CG2-CE1 4.06Å; Y44-F48 PolarHBondContact O-N 3.42Å; T45-F48 PolarHBondContact O-N 3.33Å; Q46-F48 VanDerWaalsContact C-N 3.31Å; F48-A50 VanDerWaalsContact C-N 3.32Å; F48-A50 PolarHBondContact O-N 3.19Å; F48-H51 PolarHBondContact O-N 3.03Å; F48-H51 VanDerWaalsContact O-N 3.14Å; F48-F52 AromaticContact CD1-CD2 3.87Å; F48-F52 HydrophobicContact CD1-CD2 3.87Å; F48-F52 HydrophobicContact CD1-CE2 4.4Å; F48-F52 HydrophobicContact CD1-CG 4.43Å; F48-F52 HydrophobicContact CD2-CD2 4.1Å; F48-F52 AromaticContact CD2-CE2 3.87Å; F48-F52 HydrophobicContact CD2-CE2 3.87Å; F48-F52 HydrophobicContact CE1-CB 4.45Å; F48-F52 AromaticContact CE1-CD2 3.74Å; F48-F52 HydrophobicContact CE1-CD2 3.74Å; F48-F52 HydrophobicContact CE1-CE2 4.11Å; F48-F52 HydrophobicContact CE1-CG 4.06Å; F48-F52 AromaticContact CE2-CD2 3.97Å; F48-F52 HydrophobicContact CE2-CD2 3.97Å; F48-F52 AromaticContact CE2-CE2 3.52Å; F48-F52 HydrophobicContact CE2-CE2 3.52Å; F48-F52 HydrophobicContact CE2-CZ 4.08Å; F48-F52 HydrophobicContact CG-CD2 4.06Å; F48-F52 HydrophobicContact CG-CE2 4.31Å; F48-F52 AromaticContact CZ-CD2 3.8Å; F48-F52 HydrophobicContact CZ-CD2 3.8Å; F48-F52 AromaticContact CZ-CE2 3.65Å; F48-F52 HydrophobicContact CZ-CE2 3.65Å; F48-F52 HydrophobicContact CZ-CG 4.29Å; F48-F52 HydrophobicContact CZ-CZ 4.03Å; F48-F52 VanDerWaalsContact O-CD2 3.29Å; F48-F52 WeakPolarHBondContact O-CD2 3.39Å; F48-F52 PolarHBondContact O-N 3.47Å; F48-I60 HydrophobicContact CD1-CD1 3.71Å; F48-I60 HydrophobicContact CE1-CD1 3.64Å; F48-F65 HydrophobicContact CZ-CE2 4.2Å
49M87.1Confident84.3Confident5 Ų580.3 Ų80.33%0.02542%0.415CS..Hα-helixtrans-56.2-48.5176.2-67.8-61.2-62.900110.8K28 V31 T45 Q46 H51 F52 D53 D58 I60K28-M49 HydrophobicContact CB-CG 4.5Å; K28-M49 HydrophobicContact CB-SD 4.29Å; K28-M49 HydrophobicContact CG-CG 4.24Å; V31-M49 HydrophobicContact CG2-SD 4.24Å; T45-M49 HydrophobicContact CG2-CG 4.36Å; T45-M49 VanDerWaalsContact O-CG 3.32Å; T45-M49 WeakPolarHBondContact O-CG 3.23Å; T45-M49 PolarHBondContact O-N 2.87Å; Q46-M49 PolarHBondContact O-N 2.71Å; M49-H51 PolarHBondContact O-N 3.12Å; M49-H51 VanDerWaalsContact O-N 3.09Å; M49-F52 PolarHBondContact O-N 3Å; M49-F52 VanDerWaalsContact O-N 3.15Å; M49-D53 HydrophobicContact CE-CB 4.17Å; M49-D53 WeakPolarHBondContact O-CB 3.33Å; M49-D53 PolarHBondContact O-N 3.03Å; M49-D58 WeakPolarHBondContact CE-O 3.47Å; M49-I60 HydrophobicContact CE-CD1 4.42Å; M49-I60 HydrophobicContact CE-CG1 4.2Å; M49-I60 HydrophobicContact SD-CD1 3.64Å; M49-I60 HydrophobicContact SD-CG1 4.07Å
50A84.4Confident85.3Confident68 Ų6877 Ų7756%0.56238%0.381SS*.Hα-helixtrans-61.8-22.2-179.300000114.7Q46 E47 F48Q46-A50 WeakPolarHBondContact O-CB 3.32Å; Q46-A50 PolarHBondContact O-N 3.32Å; E47-A50 PolarHBondContact O-N 3.37Å; F48-A50 VanDerWaalsContact C-N 3.32Å; F48-A50 PolarHBondContact O-N 3.19Å
51H81Confident86.1Confident130 Ų13073.3 Ų73.360%0.60237%0.369SS*.Hα-helixtrans-89.4-27.4178.8-76.840.9000113.3E47 F48 M49E47-H51 PolarHBondContact O-N 3.11Å; E47-H51 VanDerWaalsContact O-N 3.13Å; E47-H51 PolarHBondContact O-ND1 3.14Å; F48-H51 PolarHBondContact O-N 3.03Å; F48-H51 VanDerWaalsContact O-N 3.14Å; M49-H51 PolarHBondContact O-N 3.12Å; M49-H51 VanDerWaalsContact O-N 3.09Å
52F84.6Confident86.6Confident15 Ų1574.1 Ų74.17%0.06637%0.37CS..Hα-helixtrans-113-33.3-168.8-75.7-90000112.8F48 M49 V54 I60 E64 F65 A68 A69 I72F48-F52 AromaticContact CD1-CD2 3.87Å; F48-F52 HydrophobicContact CD1-CD2 3.87Å; F48-F52 HydrophobicContact CD1-CE2 4.4Å; F48-F52 HydrophobicContact CD1-CG 4.43Å; F48-F52 HydrophobicContact CD2-CD2 4.1Å; F48-F52 AromaticContact CD2-CE2 3.87Å; F48-F52 HydrophobicContact CD2-CE2 3.87Å; F48-F52 HydrophobicContact CE1-CB 4.45Å; F48-F52 AromaticContact CE1-CD2 3.74Å; F48-F52 HydrophobicContact CE1-CD2 3.74Å; F48-F52 HydrophobicContact CE1-CE2 4.11Å; F48-F52 HydrophobicContact CE1-CG 4.06Å; F48-F52 AromaticContact CE2-CD2 3.97Å; F48-F52 HydrophobicContact CE2-CD2 3.97Å; F48-F52 AromaticContact CE2-CE2 3.52Å; F48-F52 HydrophobicContact CE2-CE2 3.52Å; F48-F52 HydrophobicContact CE2-CZ 4.08Å; F48-F52 HydrophobicContact CG-CD2 4.06Å; F48-F52 HydrophobicContact CG-CE2 4.31Å; F48-F52 AromaticContact CZ-CD2 3.8Å; F48-F52 HydrophobicContact CZ-CD2 3.8Å; F48-F52 AromaticContact CZ-CE2 3.65Å; F48-F52 HydrophobicContact CZ-CE2 3.65Å; F48-F52 HydrophobicContact CZ-CG 4.29Å; F48-F52 HydrophobicContact CZ-CZ 4.03Å; F48-F52 VanDerWaalsContact O-CD2 3.29Å; F48-F52 WeakPolarHBondContact O-CD2 3.39Å; F48-F52 PolarHBondContact O-N 3.47Å; M49-F52 PolarHBondContact O-N 3Å; M49-F52 VanDerWaalsContact O-N 3.15Å; F52-V54 PolarHBondContact O-N 2.83Å; F52-I60 HydrophobicContact CB-CD1 3.6Å; F52-I60 HydrophobicContact CB-CG1 3.9Å; F52-I60 HydrophobicContact CB-CG2 3.92Å; F52-I60 HydrophobicContact CG-CD1 4.49Å; F52-E64 WeakPolarHBondContact O-CB 3.14Å; F52-F65 AromaticContact CD1-CD2 3.98Å; F52-F65 HydrophobicContact CD1-CD2 3.98Å; F52-F65 AromaticContact CE1-CD2 3.88Å; F52-F65 HydrophobicContact CE1-CD2 3.88Å; F52-F65 HydrophobicContact CE1-CE2 4.14Å; F52-A68 HydrophobicContact CB-CB 4.48Å; F52-A68 HydrophobicContact CD1-CB 3.29Å; F52-A68 HydrophobicContact CE1-CB 3.6Å; F52-A68 HydrophobicContact CG-CB 3.97Å; F52-A68 HydrophobicContact CZ-CB 4.48Å; F52-A69 HydrophobicContact CE1-CB 4.43Å; F52-I72 HydrophobicContact CE1-CD1 4.28Å; F52-I72 HydrophobicContact CE2-CD1 4Å; F52-I72 HydrophobicContact CZ-CD1 3.48Å; F52-I72 VanDerWaalsContact CZ-CD1 3.48Å
53D87.9Confident86.8Confident8 Ų876.3 Ų76.34%0.04338%0.382CS..  trans-79.583175.5-178.40.7000109.7M49 N55 N56 D57 D58 I60M49-D53 HydrophobicContact CE-CB 4.17Å; M49-D53 WeakPolarHBondContact O-CB 3.33Å; M49-D53 PolarHBondContact O-N 3.03Å; D53-N55 PolarHBondContact OD1-OD1 2.93Å; D53-N56 WeakPolarHBondContact OD1-CA 3.38Å; D53-N56 PolarHBondContact OD1-N 3.17Å; D53-D57 PolarHBondContact OD1-N 2.85Å; D53-D57 VanDerWaalsContact OD1-N 3.08Å; D53-D58 WeakPolarHBondContact OD2-CA 3.45Å; D53-D58 PolarHBondContact OD2-N 3.4Å; D53-I60 HydrophobicContact CB-CG1 4.23Å
54V83.5Confident86.9Confident98 Ų9868.1 Ų68.159%0.59435%0.352SS*.SBendtrans-72.3-35.9-173.2177.80000111.3F52F52-V54 PolarHBondContact O-N 2.83Å
55N87.9Confident87.1Confident90 Ų9063.1 Ų63.148%0.48133%0.333SS..SBendtrans-87.1-7.9-17973.34.8000113.2D53 D57 E64D53-N55 PolarHBondContact OD1-OD1 2.93Å; N55-D57 PolarHBondContact ND2-OD2 3.47Å; N55-D57 VanDerWaalsContact ND2-OD2 3.16Å; N55-D57 WeakPolarHBondContact OD1-CB 3.45Å; N55-D57 PolarHBondContact OD1-N 3.31Å; N55-D57 PolarHBondContact OD1-OD1 2.63Å; N55-E64 VanDerWaalsContact CG-OE1 3.25Å; N55-E64 PolarHBondContact ND2-OE1 3.11Å; N55-E64 PolarHBondContact OD1-OE1 3.48Å
56N85.9Confident87Confident127 Ų12764.1 Ų64.168%0.67934%0.338SS*.  trans58.740.6-177-59.4-83.7000113.4D53 D58D53-N56 WeakPolarHBondContact OD1-CA 3.38Å; D53-N56 PolarHBondContact OD1-N 3.17Å; N56-D58 VanDerWaalsContact C-N 3.34Å
57D91.9Very high86.8Confident68 Ų6863 Ų6336%0.36433%0.332SS..SBendtrans-93.911.2176.580.6-0.7000113.9D53 N55 K59D53-D57 PolarHBondContact OD1-N 2.85Å; D53-D57 VanDerWaalsContact OD1-N 3.08Å; N55-D57 PolarHBondContact ND2-OD2 3.47Å; N55-D57 VanDerWaalsContact ND2-OD2 3.16Å; N55-D57 WeakPolarHBondContact OD1-CB 3.45Å; N55-D57 PolarHBondContact OD1-N 3.31Å; N55-D57 PolarHBondContact OD1-OD1 2.63Å; D57-K59 PolarHBondContact O-N 2.85Å; D57-K59 WeakPolarHBondContact OD1-CA 3.39Å; D57-K59 WeakPolarHBondContact OD1-CB 3.42Å; D57-K59 PolarHBondContact OD1-N 3.29Å
58D88.6Confident86.5Confident116 Ų11657.7 Ų57.762%0.6231%0.309SS*.SBendtrans63.816.6-175.4-74.7-52.1000113.9M49 D53 N56M49-D58 WeakPolarHBondContact CE-O 3.47Å; D53-D58 WeakPolarHBondContact OD2-CA 3.45Å; D53-D58 PolarHBondContact OD2-N 3.4Å; N56-D58 VanDerWaalsContact C-N 3.34Å
59K92.3Very high86.1Confident79 Ų7955.5 Ų55.534%0.34330%0.3SS..EExtended strand (participates in β ladder)trans-127.1144176.2-50.3173.3175.1162.80109.7W25 D57W25-K59 HydrophobicContact CB-CB 4.2Å; W25-K59 HydrophobicContact CD2-CB 4.13Å; W25-K59 HydrophobicContact CD2-CD 3.71Å; W25-K59 HydrophobicContact CD2-CG 3.92Å; W25-K59 HydrophobicContact CE3-CB 3.73Å; W25-K59 HydrophobicContact CE3-CD 3.79Å; W25-K59 HydrophobicContact CE3-CG 3.47Å; W25-K59 VanDerWaalsContact CE3-CG 3.47Å; W25-K59 HydrophobicContact CG-CB 4.35Å; W25-K59 HydrophobicContact CG-CD 4.14Å; W25-K59 HydrophobicContact CH2-CD 4.44Å; W25-K59 HydrophobicContact CH2-CG 4.45Å; W25-K59 HydrophobicContact CZ2-CD 4.38Å; W25-K59 HydrophobicContact CZ3-CB 4.44Å; W25-K59 HydrophobicContact CZ3-CD 4.14Å; W25-K59 HydrophobicContact CZ3-CG 3.75Å; D57-K59 PolarHBondContact O-N 2.85Å; D57-K59 WeakPolarHBondContact OD1-CA 3.39Å; D57-K59 WeakPolarHBondContact OD1-CB 3.42Å; D57-K59 PolarHBondContact OD1-N 3.29Å
60I91.7Very high85.3Confident0 Ų058.9 Ų58.90%032%0.315CS..EExtended strand (participates in β ladder)trans-107.3101.9168.2-58.7166.2000107.1W25 L26 V31 F48 M49 F52 D53 E64 F65W25-I60 CarbonylContact C-O 3.59Å; W25-I60 WeakPolarHBondContact CA-O 3.37Å; L26-I60 HydrophobicContact CB-CB 4.2Å; L26-I60 PolarHBondContact N-O 3.02Å; L26-I60 PolarHBondContact O-N 2.88Å; V31-I60 HydrophobicContact CG2-CD1 4.06Å; F48-I60 HydrophobicContact CD1-CD1 3.71Å; F48-I60 HydrophobicContact CE1-CD1 3.64Å; M49-I60 HydrophobicContact CE-CD1 4.42Å; M49-I60 HydrophobicContact CE-CG1 4.2Å; M49-I60 HydrophobicContact SD-CD1 3.64Å; M49-I60 HydrophobicContact SD-CG1 4.07Å; F52-I60 HydrophobicContact CB-CD1 3.6Å; F52-I60 HydrophobicContact CB-CG1 3.9Å; F52-I60 HydrophobicContact CB-CG2 3.92Å; F52-I60 HydrophobicContact CG-CD1 4.49Å; D53-I60 HydrophobicContact CB-CG1 4.23Å; I60-E64 HydrophobicContact CG2-CB 4.33Å; I60-F65 HydrophobicContact CG2-CB 3.91Å
61T92.1Very high84.3Confident45 Ų4561.9 Ų61.928%0.27632%0.317SS..EExtended strand (participates in β ladder)trans-68.1159.8173.263.40000110.8W25 T63 E64 F65W25-T61 HydrophobicContact CB-CG2 4.49Å; T61-T63 PolarHBondContact O-N 2.82Å; T61-E64 WeakPolarHBondContact CB-OE2 3.49Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.38Å; T61-E64 PolarHBondContact N-OE2 3.28Å; T61-E64 PolarHBondContact O-N 2.98Å; T61-E64 WeakPolarHBondContact OG1-CG 3.16Å; T61-E64 PolarHBondContact OG1-N 3.29Å; T61-E64 PolarHBondContact OG1-OE2 3.19Å; T61-F65 WeakPolarHBondContact O-CB 3.39Å; T61-F65 PolarHBondContact O-N 3.5Å
62K88.9Confident83.2Confident67 Ų6758.5 Ų58.529%0.29130%0.303SS..Hα-helixtrans-54.7-37.6173.8-173.8172176.21790112.1E12 F15 L66E12-K62 VanDerWaalsContact OE1-CE 3.24Å; E12-K62 WeakPolarHBondContact OE1-CE 3.49Å; E12-K62 IonicContact OE1-NZ 2.86Å; E12-K62 PolarHBondContact OE1-NZ 2.98Å; F15-K62 HydrophobicContact CD1-CB 4.12Å; F15-K62 HydrophobicContact CD1-CD 4.28Å; F15-K62 HydrophobicContact CD1-CG 4.1Å; F15-K62 HydrophobicContact CD2-CB 4.36Å; F15-K62 HydrophobicContact CE1-CB 3.84Å; F15-K62 HydrophobicContact CE1-CG 4.33Å; F15-K62 VanDerWaalsContact CE2-CA 3.47Å; F15-K62 HydrophobicContact CE2-CB 4.07Å; F15-K62 HydrophobicContact CG-CB 4.38Å; F15-K62 HydrophobicContact CG-CG 4.22Å; F15-K62 HydrophobicContact CZ-CB 3.81Å; K62-L66 HydrophobicContact CG-CD1 4.11Å; K62-L66 HydrophobicContact CG-CG 4.48Å; K62-L66 WeakPolarHBondContact O-CB 3.31Å; K62-L66 WeakPolarHBondContact O-CG 3.28Å; K62-L66 PolarHBondContact O-N 3.32Å
63T89.2Confident81.6Confident98 Ų9861.7 Ų61.760%0.60132%0.317SS*.Hα-helixtrans-64.3-49.7177.6-57.60000111.2T61 F65 L66 E67T61-T63 PolarHBondContact O-N 2.82Å; T63-F65 VanDerWaalsContact C-N 3.34Å; T63-F65 PolarHBondContact O-N 3.45Å; T63-L66 PolarHBondContact O-N 3.45Å; T63-E67 HydrophobicContact CG2-CG 4.31Å; T63-E67 WeakPolarHBondContact O-CB 3.44Å; T63-E67 WeakPolarHBondContact O-CG 3.43Å; T63-E67 PolarHBondContact O-N 2.89Å
64E88.9Confident79.7Confident18 Ų1868.3 Ų68.38%0.08435%0.351CS..Hα-helixtrans-60.9-43.5177.5-77.5163.7146.100112.2F52 N55 I60 T61 L66 E67 A68F52-E64 WeakPolarHBondContact O-CB 3.14Å; N55-E64 VanDerWaalsContact CG-OE1 3.25Å; N55-E64 PolarHBondContact ND2-OE1 3.11Å; N55-E64 PolarHBondContact OD1-OE1 3.48Å; I60-E64 HydrophobicContact CG2-CB 4.33Å; T61-E64 WeakPolarHBondContact CB-OE2 3.49Å; T61-E64 WeakPolarHBondContact CG2-OE2 3.38Å; T61-E64 PolarHBondContact N-OE2 3.28Å; T61-E64 PolarHBondContact O-N 2.98Å; T61-E64 WeakPolarHBondContact OG1-CG 3.16Å; T61-E64 PolarHBondContact OG1-N 3.29Å; T61-E64 PolarHBondContact OG1-OE2 3.19Å; E64-L66 VanDerWaalsContact C-N 3.35Å; E64-L66 PolarHBondContact O-N 3.11Å; E64-E67 PolarHBondContact O-N 3.3Å; E64-A68 VanDerWaalsContact O-CB 3.28Å; E64-A68 WeakPolarHBondContact O-CB 3.42Å; E64-A68 PolarHBondContact O-N 2.94Å
65F86.3Confident77.9Confident14 Ų1466.6 Ų66.66%0.06135%0.353CS..Hα-helixtrans-55.3-49.8173.9-176.8-100.2000112L11 D14 F15 L18 F48 F52 I60 T61 T63 A69L11-F65 HydrophobicContact CB-CE1 4.09Å; L11-F65 HydrophobicContact CD2-CE1 4.12Å; L11-F65 HydrophobicContact CD2-CZ 4.42Å; L11-F65 WeakPolarHBondContact O-CE1 3.2Å; D14-F65 HydrophobicContact CB-CZ 4.47Å; F15-F65 HydrophobicContact CB-CD1 3.97Å; F15-F65 HydrophobicContact CB-CE1 4.14Å; F15-F65 HydrophobicContact CD2-CB 3.71Å; F15-F65 AromaticContact CD2-CD1 3.99Å; F15-F65 HydrophobicContact CD2-CD1 3.99Å; F15-F65 HydrophobicContact CD2-CD2 4.42Å; F15-F65 AromaticContact CD2-CG 3.79Å; F15-F65 HydrophobicContact CD2-CG 3.79Å; F15-F65 HydrophobicContact CE2-CB 4.11Å; F15-F65 HydrophobicContact CG-CD1 4.45Å; L18-F65 HydrophobicContact CD1-CE2 4.28Å; F48-F65 HydrophobicContact CZ-CE2 4.2Å; F52-F65 AromaticContact CD1-CD2 3.98Å; F52-F65 HydrophobicContact CD1-CD2 3.98Å; F52-F65 AromaticContact CE1-CD2 3.88Å; F52-F65 HydrophobicContact CE1-CD2 3.88Å; F52-F65 HydrophobicContact CE1-CE2 4.14Å; I60-F65 HydrophobicContact CG2-CB 3.91Å; T61-F65 WeakPolarHBondContact O-CB 3.39Å; T61-F65 PolarHBondContact O-N 3.5Å; T63-F65 VanDerWaalsContact C-N 3.34Å; T63-F65 PolarHBondContact O-N 3.45Å; F65-A69 WeakPolarHBondContact O-CB 3.46Å; F65-A69 PolarHBondContact O-N 2.96Å
66L83.3Confident76.3Confident23 Ų2370.1 Ų70.112%0.1236%0.364CS..Hα-helixtrans-68.8-39.6-179.4-69.1175.2000112.5L8 L11 E12 K62 T63 E64 K70L8-L66 HydrophobicContact CD2-CD2 4.49Å; L11-L66 HydrophobicContact CB-CD2 3.6Å; L11-L66 HydrophobicContact CD1-CD2 3.94Å; L11-L66 HydrophobicContact CG-CD2 4.49Å; E12-L66 HydrophobicContact CG-CD1 4.3Å; E12-L66 HydrophobicContact CG-CD2 4.24Å; K62-L66 HydrophobicContact CG-CD1 4.11Å; K62-L66 HydrophobicContact CG-CG 4.48Å; K62-L66 WeakPolarHBondContact O-CB 3.31Å; K62-L66 WeakPolarHBondContact O-CG 3.28Å; K62-L66 PolarHBondContact O-N 3.32Å; T63-L66 PolarHBondContact O-N 3.45Å; E64-L66 VanDerWaalsContact C-N 3.35Å; E64-L66 PolarHBondContact O-N 3.11Å; L66-K70 WeakPolarHBondContact O-CB 3.15Å; L66-K70 WeakPolarHBondContact O-CD 3.49Å; L66-K70 WeakPolarHBondContact O-CG 3.41Å; L66-K70 PolarHBondContact O-N 3.05Å
67E82.6Confident75.1Confident84 Ų8466.5 Ų66.539%0.39334%0.344SS..Hα-helixtrans-67-47.1177.9-72.5-52.9127.800111.6T63 E64 K70 Q71T63-E67 HydrophobicContact CG2-CG 4.31Å; T63-E67 WeakPolarHBondContact O-CB 3.44Å; T63-E67 WeakPolarHBondContact O-CG 3.43Å; T63-E67 PolarHBondContact O-N 2.89Å; E64-E67 PolarHBondContact O-N 3.3Å; E67-K70 WeakPolarHBondContact O-CB 3.42Å; E67-K70 PolarHBondContact O-N 3.36Å; E67-K70 IonicContact OE1-NZ 2.65Å; E67-K70 PolarHBondContact OE1-NZ 3Å; E67-Q71 WeakPolarHBondContact O-CG 3.5Å; E67-Q71 PolarHBondContact O-N 3.14Å
68A77.1Confident73.9Confident7 Ų765.9 Ų65.96%0.05834%0.343CS..Hα-helixtrans-64.6-41.9175.600000111.7F52 E64 K70 Q71 I72F52-A68 HydrophobicContact CB-CB 4.48Å; F52-A68 HydrophobicContact CD1-CB 3.29Å; F52-A68 HydrophobicContact CE1-CB 3.6Å; F52-A68 HydrophobicContact CG-CB 3.97Å; F52-A68 HydrophobicContact CZ-CB 4.48Å; E64-A68 VanDerWaalsContact O-CB 3.28Å; E64-A68 WeakPolarHBondContact O-CB 3.42Å; E64-A68 PolarHBondContact O-N 2.94Å; A68-K70 VanDerWaalsContact C-N 3.27Å; A68-K70 PolarHBondContact O-N 2.67Å; A68-Q71 WeakPolarHBondContact O-CA 3.39Å; A68-Q71 WeakPolarHBondContact O-CB 3.29Å; A68-Q71 PolarHBondContact O-N 3.42Å; A68-I72 WeakPolarHBondContact O-CG1 3.49Å; A68-I72 PolarHBondContact O-N 3.21Å
69A73.6Confident73.1Confident5 Ų564.3 Ų64.34%0.04134%0.335CS..Hα-helixtrans-66.2-27.5176.400000113.3Y7 L11 F52 F65 K73Y7-A69 PolarHBondContact OH-O 2.79Å; L11-A69 HydrophobicContact CD1-CB 3.51Å; L11-A69 HydrophobicContact CD2-CB 3.97Å; L11-A69 HydrophobicContact CG-CB 4.38Å; F52-A69 HydrophobicContact CE1-CB 4.43Å; F65-A69 WeakPolarHBondContact O-CB 3.46Å; F65-A69 PolarHBondContact O-N 2.96Å; A69-K73 PolarHBondContact O-N 3.46Å
70K69.2Low72Confident77 Ų7763.8 Ų63.834%0.33535%0.345SS..Hα-helixtrans-68-42.8168.1-73.3164.3-166.1173.10110.8L66 E67 A68 K73 I74L66-K70 WeakPolarHBondContact O-CB 3.15Å; L66-K70 WeakPolarHBondContact O-CD 3.49Å; L66-K70 WeakPolarHBondContact O-CG 3.41Å; L66-K70 PolarHBondContact O-N 3.05Å; E67-K70 WeakPolarHBondContact O-CB 3.42Å; E67-K70 PolarHBondContact O-N 3.36Å; E67-K70 IonicContact OE1-NZ 2.65Å; E67-K70 PolarHBondContact OE1-NZ 3Å; A68-K70 VanDerWaalsContact C-N 3.27Å; A68-K70 PolarHBondContact O-N 2.67Å; K70-K73 PolarHBondContact O-N 3.13Å; K70-I74 WeakPolarHBondContact O-CG1 3.49Å; K70-I74 PolarHBondContact O-N 3.38Å; K70-I74 VanDerWaalsContact O-N 3.14Å
71Q63.2Low71.2Confident130 Ų13067 Ų6761%0.60736%0.36SS*.Hα-helixtrans-66-40179.1-68.6-177.537.200112.6E67 A68 K73 I74E67-Q71 WeakPolarHBondContact O-CG 3.5Å; E67-Q71 PolarHBondContact O-N 3.14Å; A68-Q71 WeakPolarHBondContact O-CA 3.39Å; A68-Q71 WeakPolarHBondContact O-CB 3.29Å; A68-Q71 PolarHBondContact O-N 3.42Å; Q71-K73 VanDerWaalsContact C-N 3.26Å; Q71-K73 PolarHBondContact O-N 3.19Å; Q71-I74 PolarHBondContact O-N 3.1Å; Q71-I74 VanDerWaalsContact O-N 3.1Å
72I57.9Low70.7Confident59 Ų5965 Ų6530%0.30335%0.348SS..Hα-helixtrans-56.3-43.3174.1-66.9168.3000110.1F52 A68 I74 G75 K76 T78F52-I72 HydrophobicContact CE1-CD1 4.28Å; F52-I72 HydrophobicContact CE2-CD1 4Å; F52-I72 HydrophobicContact CZ-CD1 3.48Å; F52-I72 VanDerWaalsContact CZ-CD1 3.48Å; A68-I72 WeakPolarHBondContact O-CG1 3.49Å; A68-I72 PolarHBondContact O-N 3.21Å; I72-I74 PolarHBondContact O-N 3.26Å; I72-G75 PolarHBondContact O-N 2.98Å; I72-K76 CarbonylContact O-C 3.54Å; I72-K76 PolarHBondContact O-N 3.3Å; I72-T78 HydrophobicContact CG2-CG2 4.24Å
73K52.4Low70.4Confident82 Ų8268 Ų6836%0.35736%0.357SS..Hα-helixtrans-74.5-18.6177.9-75.2-150.3170.8-171.80115.8Y7 A69 K70 Q71 G75 E81Y7-K73 HydrophobicContact CD1-CD 4.41Å; Y7-K73 HydrophobicContact CD2-CD 4.32Å; Y7-K73 VanDerWaalsContact CD2-NZ 3.34Å; Y7-K73 HydrophobicContact CE1-CD 3.79Å; Y7-K73 HydrophobicContact CE1-CG 4.42Å; Y7-K73 HydrophobicContact CE2-CD 3.73Å; Y7-K73 WeakPolarHBondContact OH-CD 3.32Å; Y7-K73 VanDerWaalsContact OH-CE 3.28Å; Y7-K73 WeakPolarHBondContact OH-CE 3.48Å; Y7-K73 WeakPolarHBondContact OH-CG 3.39Å; A69-K73 PolarHBondContact O-N 3.46Å; K70-K73 PolarHBondContact O-N 3.13Å; Q71-K73 VanDerWaalsContact C-N 3.26Å; Q71-K73 PolarHBondContact O-N 3.19Å; K73-G75 PolarHBondContact O-N 2.94Å; K73-E81 WeakPolarHBondContact CE-OE1 3.32Å; K73-E81 IonicContact NZ-OE1 2.75Å; K73-E81 PolarHBondContact NZ-OE1 3.41Å
74I46.4Very low70.1Confident148 Ų14866.4 Ų66.476%0.75935%0.35SS*.Hα-helixtrans-71.8-15.1176-70.4167.9000111.3K70 Q71 I72K70-I74 WeakPolarHBondContact O-CG1 3.49Å; K70-I74 PolarHBondContact O-N 3.38Å; K70-I74 VanDerWaalsContact O-N 3.14Å; Q71-I74 PolarHBondContact O-N 3.1Å; Q71-I74 VanDerWaalsContact O-N 3.1Å; I72-I74 PolarHBondContact O-N 3.26Å
75G47.4Very low69.9Low62 Ų6266.6 Ų66.664%0.63936%0.355SS*.Hα-helixtrans-145.2-12.7179.200000118.7I72 K73I72-G75 PolarHBondContact O-N 2.98Å; K73-G75 PolarHBondContact O-N 2.94Å
76K52.9Low70.1Confident163 Ų16366.7 Ų66.771%0.70936%0.355SS*.  trans-144.2108.6-174.3-61.9-176.3-176.7176.90111.1I72 T78I72-K76 CarbonylContact O-C 3.54Å; I72-K76 PolarHBondContact O-N 3.3Å; K76-T78 PolarHBondContact O-N 2.89Å
77I62.1Low70.4Confident51 Ų5173.1 Ų73.126%0.26238%0.378SS..  trans-61.4134.1163.1-63.1162000107.4E81 M82 V142 L146I77-E81 HydrophobicContact CG2-CB 3.46Å; I77-E81 VanDerWaalsContact CG2-CB 3.46Å; I77-M82 HydrophobicContact CB-CE 3.55Å; I77-M82 HydrophobicContact CB-CG 4.12Å; I77-M82 HydrophobicContact CB-SD 3.91Å; I77-M82 HydrophobicContact CD1-CE 3.58Å; I77-M82 HydrophobicContact CD1-SD 4.01Å; I77-M82 HydrophobicContact CG1-CE 4.14Å; I77-M82 HydrophobicContact CG2-CE 3.94Å; I77-M82 HydrophobicContact CG2-CG 3.6Å; I77-M82 HydrophobicContact CG2-SD 3.56Å; I77-M82 VanDerWaalsContact CG2-SD 3.56Å; I77-V142 HydrophobicContact CD1-CG1 3.23Å; I77-L146 HydrophobicContact CD1-CD1 3.36Å; I77-L146 HydrophobicContact CD1-CG 4.24Å; I77-L146 HydrophobicContact CG1-CD1 3.56Å
78T66.9Low70.7Confident56 Ų5671.6 Ų71.634%0.34438%0.376SS..  trans-67.4152.2-18061.40000111.3I72 K76 A80 E81 M82I72-T78 HydrophobicContact CG2-CG2 4.24Å; K76-T78 PolarHBondContact O-N 2.89Å; T78-A80 PolarHBondContact O-N 2.75Å; T78-E81 PolarHBondContact N-OE2 2.88Å; T78-E81 VanDerWaalsContact N-OE2 3.16Å; T78-E81 PolarHBondContact O-N 3.26Å; T78-E81 VanDerWaalsContact O-N 3.1Å; T78-E81 VanDerWaalsContact OG1-CB 3.31Å; T78-E81 WeakPolarHBondContact OG1-CB 3.45Å; T78-E81 WeakPolarHBondContact OG1-CG 3.37Å; T78-E81 PolarHBondContact OG1-N 3.47Å; T78-E81 PolarHBondContact OG1-OE2 3.1Å; T78-M82 WeakPolarHBondContact O-CG 3.29Å; T78-M82 PolarHBondContact O-N 3.33Å
79D70.5Confident71.3Confident83 Ų8371.2 Ų71.244%0.44437%0.373SS..Hα-helixtrans-54.2-39175.1-178.374.1000111.7M82 R83 Y135D79-M82 PolarHBondContact O-N 3.16Å; D79-R83 WeakPolarHBondContact O-CG 3.11Å; D79-R83 PolarHBondContact O-N 3.42Å; D79-R83 IonicContact OD1-NE 3.72Å; D79-R83 IonicContact OD1-NH2 3.79Å; D79-R83 IonicContact OD2-CZ 3.15Å; D79-R83 IonicContact OD2-NE 2.71Å; D79-R83 PolarHBondContact OD2-NE 3.13Å; D79-R83 IonicContact OD2-NH2 2.87Å; D79-R83 PolarHBondContact OD2-NH2 2.8Å; D79-Y135 PolarHBondContact OD1-OH 3.28Å
80A70.4Confident72.2Confident68 Ų6871.6 Ų71.656%0.56238%0.375SS*.Hα-helixtrans-63.6-45.7176.300000112.9T78 M82 R83 S84T78-A80 PolarHBondContact O-N 2.75Å; A80-M82 VanDerWaalsContact C-N 3.33Å; A80-R83 PolarHBondContact O-N 3.29Å; A80-S84 WeakPolarHBondContact O-CB 3.28Å; A80-S84 PolarHBondContact O-N 3.42Å
81E74.4Confident73.2Confident67 Ų6773 Ų7331%0.31338%0.381SS..Hα-helixtrans-63-41.1174.6-77.5172130.200111K73 I77 T78 S84 A85K73-E81 WeakPolarHBondContact CE-OE1 3.32Å; K73-E81 IonicContact NZ-OE1 2.75Å; K73-E81 PolarHBondContact NZ-OE1 3.41Å; I77-E81 HydrophobicContact CG2-CB 3.46Å; I77-E81 VanDerWaalsContact CG2-CB 3.46Å; T78-E81 PolarHBondContact N-OE2 2.88Å; T78-E81 VanDerWaalsContact N-OE2 3.16Å; T78-E81 PolarHBondContact O-N 3.26Å; T78-E81 VanDerWaalsContact O-N 3.1Å; T78-E81 VanDerWaalsContact OG1-CB 3.31Å; T78-E81 WeakPolarHBondContact OG1-CB 3.45Å; T78-E81 WeakPolarHBondContact OG1-CG 3.37Å; T78-E81 PolarHBondContact OG1-N 3.47Å; T78-E81 PolarHBondContact OG1-OE2 3.1Å; E81-S84 WeakPolarHBondContact O-CB 3.42Å; E81-S84 PolarHBondContact O-N 3.22Å; E81-A85 WeakPolarHBondContact O-CB 3.44Å; E81-A85 PolarHBondContact O-N 3.1Å
82M80.8Confident74.7Confident4 Ų471.2 Ų71.22%0.0238%0.375CS..Hα-helixtrans-63.1-46.3176.8-73.7-56.9-158.200112.7I77 T78 D79 A80 S84 A85 F86 L139 V142 Q143I77-M82 HydrophobicContact CB-CE 3.55Å; I77-M82 HydrophobicContact CB-CG 4.12Å; I77-M82 HydrophobicContact CB-SD 3.91Å; I77-M82 HydrophobicContact CD1-CE 3.58Å; I77-M82 HydrophobicContact CD1-SD 4.01Å; I77-M82 HydrophobicContact CG1-CE 4.14Å; I77-M82 HydrophobicContact CG2-CE 3.94Å; I77-M82 HydrophobicContact CG2-CG 3.6Å; I77-M82 HydrophobicContact CG2-SD 3.56Å; I77-M82 VanDerWaalsContact CG2-SD 3.56Å; T78-M82 WeakPolarHBondContact O-CG 3.29Å; T78-M82 PolarHBondContact O-N 3.33Å; D79-M82 PolarHBondContact O-N 3.16Å; A80-M82 VanDerWaalsContact C-N 3.33Å; M82-S84 VanDerWaalsContact C-N 3.27Å; M82-S84 PolarHBondContact O-N 3.03Å; M82-A85 PolarHBondContact O-N 3.04Å; M82-F86 WeakPolarHBondContact O-CB 3.46Å; M82-F86 PolarHBondContact O-N 3.14Å; M82-L139 HydrophobicContact CB-CD2 3.3Å; M82-L139 HydrophobicContact CE-CD2 4.09Å; M82-L139 HydrophobicContact CG-CD2 3.28Å; M82-L139 HydrophobicContact SD-CD2 3.73Å; M82-V142 HydrophobicContact CE-CB 3.89Å; M82-V142 HydrophobicContact CE-CG1 3.73Å; M82-V142 HydrophobicContact SD-CB 4.03Å; M82-V142 HydrophobicContact SD-CG1 3.79Å; M82-Q143 HydrophobicContact CE-CG 3.93Å
83R82.4Confident76.2Confident128 Ų12877.2 Ų77.248%0.48340%0.399SS..Hα-helixtrans-61.5-38.6174.7-69.7-176.6-162-1491.4111.6D79 A80 R87 Y135D79-R83 WeakPolarHBondContact O-CG 3.11Å; D79-R83 PolarHBondContact O-N 3.42Å; D79-R83 IonicContact OD1-NE 3.72Å; D79-R83 IonicContact OD1-NH2 3.79Å; D79-R83 IonicContact OD2-CZ 3.15Å; D79-R83 IonicContact OD2-NE 2.71Å; D79-R83 PolarHBondContact OD2-NE 3.13Å; D79-R83 IonicContact OD2-NH2 2.87Å; D79-R83 PolarHBondContact OD2-NH2 2.8Å; A80-R83 PolarHBondContact O-N 3.29Å; R83-R87 WeakPolarHBondContact O-CB 3.21Å; R83-R87 WeakPolarHBondContact O-CG 3.29Å; R83-R87 PolarHBondContact O-N 3.07Å; R83-Y135 HydrophobicContact CG-CE2 3.92Å; R83-Y135 WeakPolarHBondContact CG-OH 3.5Å
84S83.6Confident78.2Confident65 Ų6576 Ų7646%0.45540%0.401SS..Hα-helixtrans-66.5-43.3177-164.90000111.8A80 E81 M82 R87 S88A80-S84 WeakPolarHBondContact O-CB 3.28Å; A80-S84 PolarHBondContact O-N 3.42Å; E81-S84 WeakPolarHBondContact O-CB 3.42Å; E81-S84 PolarHBondContact O-N 3.22Å; M82-S84 VanDerWaalsContact C-N 3.27Å; M82-S84 PolarHBondContact O-N 3.03Å; S84-R87 PolarHBondContact O-N 2.9Å; S84-S88 WeakPolarHBondContact O-CB 3.37Å; S84-S88 PolarHBondContact O-N 3.38Å
85A85.6Confident80.5Confident22 Ų2270.9 Ų70.918%0.18238%0.384CS..Hα-helixtrans-61.5-46.7175.100000111.3E81 M82 S88 A89 F105 F138E81-A85 WeakPolarHBondContact O-CB 3.44Å; E81-A85 PolarHBondContact O-N 3.1Å; M82-A85 PolarHBondContact O-N 3.04Å; A85-S88 WeakPolarHBondContact O-CB 3.14Å; A85-S88 PolarHBondContact O-N 2.99Å; A85-S88 VanDerWaalsContact O-N 3.12Å; A85-A89 PolarHBondContact O-N 2.91Å; A85-F105 HydrophobicContact CB-CE2 4.16Å; A85-F105 HydrophobicContact CB-CZ 4.05Å; A85-F138 HydrophobicContact CB-CE1 4.02Å; A85-F138 HydrophobicContact CB-CZ 4.28Å
86F89.6Confident82.7Confident16 Ų1670.3 Ų70.37%0.0737%0.365CS..Hα-helixtrans-58.1-51.1176.9-172.1-91.6000111.6M82 S88 A89 D90 G95 I97 Y135 F138M82-F86 WeakPolarHBondContact O-CB 3.46Å; M82-F86 PolarHBondContact O-N 3.14Å; F86-S88 PolarHBondContact O-N 2.94Å; F86-A89 PolarHBondContact O-N 3.25Å; F86-D90 HydrophobicContact CD1-CB 4.38Å; F86-D90 HydrophobicContact CE1-CB 4.03Å; F86-D90 HydrophobicContact CZ-CB 4.46Å; F86-D90 PolarHBondContact O-N 3.42Å; F86-G95 WeakPolarHBondContact CZ-O 3.44Å; F86-I97 HydrophobicContact CD2-CD1 3.37Å; F86-I97 HydrophobicContact CD2-CG1 4.15Å; F86-I97 HydrophobicContact CE2-CD1 3.44Å; F86-I97 VanDerWaalsContact CE2-CD1 3.44Å; F86-I97 HydrophobicContact CE2-CG1 3.76Å; F86-I97 HydrophobicContact CG-CD1 4.16Å; F86-I97 HydrophobicContact CZ-CD1 4.27Å; F86-I97 HydrophobicContact CZ-CG1 4.17Å; F86-Y135 HydrophobicContact CB-CD2 3.92Å; F86-Y135 HydrophobicContact CB-CE2 4.09Å; F86-Y135 HydrophobicContact CD1-CD2 4.16Å; F86-Y135 AromaticContact CD2-CD2 3.83Å; F86-Y135 HydrophobicContact CD2-CD2 3.83Å; F86-Y135 HydrophobicContact CE2-CD2 4.43Å; F86-Y135 AromaticContact CG-CD2 3.69Å; F86-Y135 HydrophobicContact CG-CD2 3.69Å; F86-Y135 HydrophobicContact CG-CE2 4.36Å; F86-F138 HydrophobicContact CB-CD1 4.09Å; F86-F138 HydrophobicContact CB-CE1 4.16Å; F86-F138 HydrophobicContact CD2-CB 3.84Å; F86-F138 AromaticContact CD2-CD1 3.7Å; F86-F138 HydrophobicContact CD2-CD1 3.7Å; F86-F138 HydrophobicContact CD2-CE1 4.43Å; F86-F138 AromaticContact CD2-CG 3.85Å; F86-F138 HydrophobicContact CD2-CG 3.85Å; F86-F138 HydrophobicContact CE2-CB 4.07Å; F86-F138 HydrophobicContact CE2-CG 4.47Å; F86-F138 HydrophobicContact CG-CD1 4.41Å
87R89.7Confident84.7Confident159 Ų15962.5 Ų62.560%0.633%0.331SS*.Hα-helixtrans-61.5-26.3176.4-72.9-172.5-58.8-99.9-0.6114.1R83 S84R83-R87 WeakPolarHBondContact O-CB 3.21Å; R83-R87 WeakPolarHBondContact O-CG 3.29Å; R83-R87 PolarHBondContact O-N 3.07Å; S84-R87 PolarHBondContact O-N 2.9Å
88S88.1Confident86.3Confident51 Ų5162 Ų6236%0.35733%0.329SS..Hα-helixtrans-80.5-24.6176.9-173.30000112.6S84 A85 F86 K108S84-S88 WeakPolarHBondContact O-CB 3.37Å; S84-S88 PolarHBondContact O-N 3.38Å; A85-S88 WeakPolarHBondContact O-CB 3.14Å; A85-S88 PolarHBondContact O-N 2.99Å; A85-S88 VanDerWaalsContact O-N 3.12Å; F86-S88 PolarHBondContact O-N 2.94Å; S88-K108 PolarHBondContact O-NZ 3.31Å
89A90.2Very high87.5Confident0 Ų060.1 Ų60.10%032%0.319CS..Hα-helixtrans-85.4-51.7176.200000111.8A85 F86 K91 I97 E101 F105 F138A85-A89 PolarHBondContact O-N 2.91Å; F86-A89 PolarHBondContact O-N 3.25Å; A89-K91 PolarHBondContact O-N 2.81Å; A89-I97 HydrophobicContact CB-CD1 3.48Å; A89-I97 VanDerWaalsContact CB-CD1 3.48Å; A89-I97 HydrophobicContact CB-CG1 3.92Å; A89-I97 HydrophobicContact CB-CG2 4.29Å; A89-E101 WeakPolarHBondContact O-CB 3.48Å; A89-F105 HydrophobicContact CB-CB 3.81Å; A89-F105 HydrophobicContact CB-CD2 3.74Å; A89-F105 HydrophobicContact CB-CG 3.81Å; A89-F138 HydrophobicContact CB-CE2 4.49Å
90D93.1Very high88.6Confident13 Ų1363.8 Ų63.87%0.0733%0.328CS..  trans-70.384.8175.5177.514000110.3F86 N92 K93 S94 G95 I97F86-D90 HydrophobicContact CD1-CB 4.38Å; F86-D90 HydrophobicContact CE1-CB 4.03Å; F86-D90 HydrophobicContact CZ-CB 4.46Å; F86-D90 PolarHBondContact O-N 3.42Å; D90-N92 PolarHBondContact OD1-OD1 3.15Å; D90-K93 WeakPolarHBondContact OD1-CA 3.44Å; D90-K93 PolarHBondContact OD1-N 3.27Å; D90-K93 WeakPolarHBondContact OD2-CA 3.31Å; D90-S94 PolarHBondContact OD1-N 3.45Å; D90-S94 PolarHBondContact OD2-N 3.06Å; D90-G95 WeakPolarHBondContact OD2-CA 3.4Å; D90-G95 PolarHBondContact OD2-N 3.32Å; D90-I97 HydrophobicContact CB-CG1 4.1Å
91K90.6Very high89.8Confident107 Ų10761.1 Ų61.147%0.46530%0.304SS..SBendtrans-76.9-35.8-175.5-72.3179.3-180-178.80111.1A89 K93 E101 D104A89-K91 PolarHBondContact O-N 2.81Å; K91-K93 VanDerWaalsContact C-N 3.27Å; K91-E101 PolarHBondContact N-OE1 3.5Å; K91-D104 IonicContact NZ-OD2 2.63Å; K91-D104 PolarHBondContact NZ-OD2 3.09Å
92N93.1Very high90.6Very high91 Ų9157.9 Ų57.949%0.48729%0.289SS..SBendtrans-81.7-7-179.166.127.1000112.8D90 S94 E101D90-N92 PolarHBondContact OD1-OD1 3.15Å; N92-S94 PolarHBondContact O-N 3.33Å; N92-S94 WeakPolarHBondContact OD1-CB 3.38Å; N92-S94 PolarHBondContact OD1-N 2.87Å; N92-S94 PolarHBondContact OD1-OG 3.25Å; N92-E101 PolarHBondContact N-OE1 3.14Å; N92-E101 VanDerWaalsContact N-OE1 3.07Å; N92-E101 PolarHBondContact ND2-OE1 3.37Å; N92-E101 PolarHBondContact OD1-OE1 3.19Å
93K91.2Very high91.1Very high186 Ų18661.3 Ų61.381%0.80930%0.301SS*.  trans60.433.1-178.4-55.4-179.7-179.3177.70112.6D90 K91 G95D90-K93 WeakPolarHBondContact OD1-CA 3.44Å; D90-K93 PolarHBondContact OD1-N 3.27Å; D90-K93 WeakPolarHBondContact OD2-CA 3.31Å; K91-K93 VanDerWaalsContact C-N 3.27Å; K93-G95 PolarHBondContact O-N 3.02Å
94S94.1Very high91.5Very high57 Ų5757.7 Ų57.740%0.39929%0.292SS..SBendtrans-73-12.8176.964.20000112.5D90 N92 Q96D90-S94 PolarHBondContact OD1-N 3.45Å; D90-S94 PolarHBondContact OD2-N 3.06Å; N92-S94 PolarHBondContact O-N 3.33Å; N92-S94 WeakPolarHBondContact OD1-CB 3.38Å; N92-S94 PolarHBondContact OD1-N 2.87Å; N92-S94 PolarHBondContact OD1-OG 3.25Å; S94-Q96 VanDerWaalsContact C-N 3.26Å; S94-Q96 PolarHBondContact OG-N 2.96Å; S94-Q96 PolarHBondContact OG-O 3.44Å
95G93Very high91.7Very high39 Ų3955.5 Ų55.540%0.40227%0.274SS..SBendtrans80.49.8-170.800000112.8F86 D90 K93F86-G95 WeakPolarHBondContact CZ-O 3.44Å; D90-G95 WeakPolarHBondContact OD2-CA 3.4Å; D90-G95 PolarHBondContact OD2-N 3.32Å; K93-G95 PolarHBondContact O-N 3.02Å
96Q95.5Very high91.8Very high50 Ų5054.7 Ų54.723%0.23427%0.266CS..SBendtrans-142.8156.7-179.5-54.7-175.3-55.800109.4S94 D130 K132 L133S94-Q96 VanDerWaalsContact C-N 3.26Å; S94-Q96 PolarHBondContact OG-N 2.96Å; S94-Q96 PolarHBondContact OG-O 3.44Å; Q96-D130 PolarHBondContact NE2-OD2 3.13Å; Q96-K132 HydrophobicContact CB-CB 4.07Å; Q96-K132 HydrophobicContact CB-CD 3.9Å; Q96-L133 CarbonylContact C-O 3.52Å; Q96-L133 WeakPolarHBondContact CA-O 3.21Å
97I94.7Very high91.5Very high0 Ų058.3 Ų58.30%028%0.282CS..BIsolated β-bridgetrans-115.9118.2179.6-63.1164.7000109.1F86 A89 D90 E101 L102 K132 L133 F138F86-I97 HydrophobicContact CD2-CD1 3.37Å; F86-I97 HydrophobicContact CD2-CG1 4.15Å; F86-I97 HydrophobicContact CE2-CD1 3.44Å; F86-I97 VanDerWaalsContact CE2-CD1 3.44Å; F86-I97 HydrophobicContact CE2-CG1 3.76Å; F86-I97 HydrophobicContact CG-CD1 4.16Å; F86-I97 HydrophobicContact CZ-CD1 4.27Å; F86-I97 HydrophobicContact CZ-CG1 4.17Å; A89-I97 HydrophobicContact CB-CD1 3.48Å; A89-I97 VanDerWaalsContact CB-CD1 3.48Å; A89-I97 HydrophobicContact CB-CG1 3.92Å; A89-I97 HydrophobicContact CB-CG2 4.29Å; D90-I97 HydrophobicContact CB-CG1 4.1Å; I97-E101 HydrophobicContact CG2-CB 3.89Å; I97-L102 HydrophobicContact CG2-CB 3.91Å; I97-K132 WeakPolarHBondContact O-CA 3.47Å; I97-L133 HydrophobicContact CB-CB 4.42Å; I97-L133 PolarHBondContact N-O 3.43Å; I97-L133 PolarHBondContact O-N 3.31Å; I97-F138 HydrophobicContact CD1-CB 4.13Å; I97-F138 HydrophobicContact CD1-CD1 4.21Å; I97-F138 HydrophobicContact CD1-CD2 3.35Å; I97-F138 HydrophobicContact CD1-CE1 4.47Å; I97-F138 HydrophobicContact CD1-CE2 3.68Å; I97-F138 HydrophobicContact CD1-CG 3.63Å; I97-F138 HydrophobicContact CD1-CZ 4.22Å
98D94.6Very high91.1Very high40 Ų4055.9 Ų55.921%0.21428%0.276CS..  trans-85.9176.1173.373.540.2000113.3Y100 E101 L102 K132D98-Y100 VanDerWaalsContact C-N 3.28Å; D98-Y100 PolarHBondContact O-N 3.39Å; D98-Y100 WeakPolarHBondContact OD1-CA 3.3Å; D98-Y100 WeakPolarHBondContact OD1-CB 3.34Å; D98-Y100 PolarHBondContact OD1-N 2.99Å; D98-E101 PolarHBondContact N-OE2 3.25Å; D98-E101 VanDerWaalsContact N-OE2 3.15Å; D98-E101 PolarHBondContact O-N 3.04Å; D98-E101 PolarHBondContact OD1-N 3.25Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 PolarHBondContact O-N 2.92Å; D98-K132 HydrophobicContact CB-CG 4.31Å
99A93.1Very high90.4Very high17 Ų1758.6 Ų58.614%0.1428%0.283CS..Hα-helixtrans-61.1-33.3-178.600000113.9R103 M115 I122A99-R103 WeakPolarHBondContact O-CB 3.39Å; A99-R103 PolarHBondContact O-N 3Å; A99-M115 HydrophobicContact CB-CE 3.75Å; A99-I122 HydrophobicContact CB-CD1 3.77Å
100Y93.9Very high89.4Confident159 Ų15967.9 Ų67.962%0.62432%0.323SS*.Hα-helixtrans-74.9-43.6178.9-64.2-81.6000110.7D98 R103 D104 M115D98-Y100 VanDerWaalsContact C-N 3.28Å; D98-Y100 PolarHBondContact O-N 3.39Å; D98-Y100 WeakPolarHBondContact OD1-CA 3.3Å; D98-Y100 WeakPolarHBondContact OD1-CB 3.34Å; D98-Y100 PolarHBondContact OD1-N 2.99Å; Y100-R103 PolarHBondContact O-N 2.69Å; Y100-D104 WeakPolarHBondContact O-CB 3.07Å; Y100-D104 PolarHBondContact O-N 2.99Å; Y100-M115 HydrophobicContact CD1-CE 3.75Å; Y100-M115 HydrophobicContact CD1-SD 3.97Å; Y100-M115 HydrophobicContact CD2-CE 4.4Å; Y100-M115 HydrophobicContact CE1-CE 3.72Å; Y100-M115 HydrophobicContact CE1-SD 4.18Å; Y100-M115 HydrophobicContact CE2-CE 4.36Å; Y100-M115 HydrophobicContact CG-CE 4.11Å
101E94.4Very high88.5Confident12 Ų1270.9 Ų70.96%0.05634%0.34CS..Hα-helixtrans-61.7-44.7174.8-74.2-177.9136.400111.6A89 K91 N92 I97 D98 D104 F105A89-E101 WeakPolarHBondContact O-CB 3.48Å; K91-E101 PolarHBondContact N-OE1 3.5Å; N92-E101 PolarHBondContact N-OE1 3.14Å; N92-E101 VanDerWaalsContact N-OE1 3.07Å; N92-E101 PolarHBondContact ND2-OE1 3.37Å; N92-E101 PolarHBondContact OD1-OE1 3.19Å; I97-E101 HydrophobicContact CG2-CB 3.89Å; D98-E101 PolarHBondContact N-OE2 3.25Å; D98-E101 VanDerWaalsContact N-OE2 3.15Å; D98-E101 PolarHBondContact O-N 3.04Å; D98-E101 PolarHBondContact OD1-N 3.25Å; E101-D104 PolarHBondContact O-N 2.88Å; E101-F105 WeakPolarHBondContact O-CB 3.4Å; E101-F105 PolarHBondContact O-N 3.36Å
102L92.2Very high87.7Confident0 Ų073 Ų730%036%0.361CS..Hα-helixtrans-60.4-47.3174.6-179.459000111.4I97 D98 D104 F105 L106 C118 I122 L133 F138 F141I97-L102 HydrophobicContact CG2-CB 3.91Å; D98-L102 WeakPolarHBondContact O-CB 3.47Å; D98-L102 PolarHBondContact O-N 2.92Å; L102-D104 VanDerWaalsContact C-N 3.33Å; L102-D104 PolarHBondContact O-N 3.27Å; L102-F105 WeakPolarHBondContact O-CB 3.21Å; L102-F105 PolarHBondContact O-N 2.85Å; L102-L106 HydrophobicContact CD1-CD1 3.95Å; L102-L106 HydrophobicContact CD1-CG 4.25Å; L102-L106 HydrophobicContact CG-CD1 3.84Å; L102-L106 WeakPolarHBondContact O-CB 3.36Å; L102-L106 WeakPolarHBondContact O-CD1 3.32Å; L102-L106 VanDerWaalsContact O-CG 3.23Å; L102-L106 WeakPolarHBondContact O-CG 3.08Å; L102-L106 PolarHBondContact O-N 2.94Å; L102-C118 HydrophobicContact CD2-CB 4.29Å; L102-I122 HydrophobicContact CD2-CD1 4.24Å; L102-I122 HydrophobicContact CD2-CG1 3.8Å; L102-L133 HydrophobicContact CD2-CD1 4.39Å; L102-F138 HydrophobicContact CD1-CE2 4.5Å; L102-F141 HydrophobicContact CD1-CD1 4.3Å; L102-F141 HydrophobicContact CD1-CE1 3.66Å; L102-F141 HydrophobicContact CD1-CZ 4.07Å
103R91.2Very high87.2Confident75 Ų7569.3 Ų69.328%0.28334%0.342SS..Hα-helixtrans-59.6-45177176.4174.7173.2-130.65.3111.6A99 Y100 F105 L106 K107 V113 M115A99-R103 WeakPolarHBondContact O-CB 3.39Å; A99-R103 PolarHBondContact O-N 3Å; Y100-R103 PolarHBondContact O-N 2.69Å; R103-F105 VanDerWaalsContact C-N 3.34Å; R103-L106 PolarHBondContact O-N 3.43Å; R103-K107 HydrophobicContact CG-CD 4.34Å; R103-K107 VanDerWaalsContact NH2-NZ 3.14Å; R103-K107 WeakPolarHBondContact O-CB 3.43Å; R103-K107 WeakPolarHBondContact O-CG 3.39Å; R103-K107 PolarHBondContact O-N 3.48Å; R103-V113 HydrophobicContact CG-CG2 4.25Å; R103-M115 HydrophobicContact CB-SD 4.08Å; R103-M115 WeakPolarHBondContact CD-SD 3.35Å; R103-M115 HydrophobicContact CG-SD 4.27Å
104D90.3Very high87Confident52 Ų5263.3 Ų63.328%0.27832%0.323SS..Hα-helixtrans-66.2-38.8179.5-82.7-4.9000111.8K91 Y100 E101 L102 K107 K108K91-D104 IonicContact NZ-OD2 2.63Å; K91-D104 PolarHBondContact NZ-OD2 3.09Å; Y100-D104 WeakPolarHBondContact O-CB 3.07Å; Y100-D104 PolarHBondContact O-N 2.99Å; E101-D104 PolarHBondContact O-N 2.88Å; L102-D104 VanDerWaalsContact C-N 3.33Å; L102-D104 PolarHBondContact O-N 3.27Å; D104-K107 PolarHBondContact O-N 2.9Å; D104-K108 WeakPolarHBondContact O-CG 3.46Å; D104-K108 PolarHBondContact O-N 3.06Å; D104-K108 VanDerWaalsContact O-N 3.11Å
105F88.6Confident86.9Confident20 Ų2062.9 Ų62.99%0.08832%0.316CS..Hα-helixtrans-58.5-47.9171.8174.2-101.4000111.5A85 A89 E101 L102 R103 K107 K108 Q109 F138A85-F105 HydrophobicContact CB-CE2 4.16Å; A85-F105 HydrophobicContact CB-CZ 4.05Å; A89-F105 HydrophobicContact CB-CB 3.81Å; A89-F105 HydrophobicContact CB-CD2 3.74Å; A89-F105 HydrophobicContact CB-CG 3.81Å; E101-F105 WeakPolarHBondContact O-CB 3.4Å; E101-F105 PolarHBondContact O-N 3.36Å; L102-F105 WeakPolarHBondContact O-CB 3.21Å; L102-F105 PolarHBondContact O-N 2.85Å; R103-F105 VanDerWaalsContact C-N 3.34Å; F105-K107 PolarHBondContact O-N 3.04Å; F105-K108 WeakPolarHBondContact O-CB 3.49Å; F105-K108 PolarHBondContact O-N 3.35Å; F105-Q109 HydrophobicContact CE1-CG 4.45Å; F105-Q109 HydrophobicContact CZ-CG 4.45Å; F105-Q109 PolarHBondContact O-N 2.91Å; F105-F138 HydrophobicContact CE1-CE2 4.39Å; F105-F138 HydrophobicContact CE1-CZ 4.05Å; F105-F138 HydrophobicContact CZ-CZ 4.13Å
106L86.5Confident86.7Confident4 Ų467.3 Ų67.32%0.02133%0.33CS..Hα-helixtrans-68-36.7-179.1-68.5163.2000112.9L102 R103 K108 Q109 K110 N111 V113 W121 F141 M145L102-L106 HydrophobicContact CD1-CD1 3.95Å; L102-L106 HydrophobicContact CD1-CG 4.25Å; L102-L106 HydrophobicContact CG-CD1 3.84Å; L102-L106 WeakPolarHBondContact O-CB 3.36Å; L102-L106 WeakPolarHBondContact O-CD1 3.32Å; L102-L106 VanDerWaalsContact O-CG 3.23Å; L102-L106 WeakPolarHBondContact O-CG 3.08Å; L102-L106 PolarHBondContact O-N 2.94Å; R103-L106 PolarHBondContact O-N 3.43Å; L106-K108 VanDerWaalsContact C-N 3.32Å; L106-K108 PolarHBondContact O-N 3Å; L106-Q109 CarbonylContact O-C 3.53Å; L106-Q109 WeakPolarHBondContact O-CA 3.5Å; L106-Q109 WeakPolarHBondContact O-CB 3.29Å; L106-Q109 PolarHBondContact O-N 2.91Å; L106-K110 PolarHBondContact O-N 3.45Å; L106-N111 PolarHBondContact O-N 3.21Å; L106-N111 VanDerWaalsContact O-N 3.11Å; L106-V113 HydrophobicContact CB-CG1 4.39Å; L106-V113 HydrophobicContact CB-CG2 3.6Å; L106-V113 HydrophobicContact CD1-CB 4.44Å; L106-V113 HydrophobicContact CD1-CG1 4.26Å; L106-V113 HydrophobicContact CD1-CG2 3.79Å; L106-V113 HydrophobicContact CG-CG2 4.37Å; L106-W121 HydrophobicContact CD1-CE3 3.96Å; L106-W121 HydrophobicContact CD1-CZ3 3.52Å; L106-W121 HydrophobicContact CD2-CZ3 4.32Å; L106-F141 HydrophobicContact CD2-CZ 4.47Å; L106-M145 HydrophobicContact CD2-CE 3.4Å; L106-M145 VanDerWaalsContact CD2-CE 3.4Å
107K84Confident86.4Confident92 Ų9267.7 Ų67.740%0.433%0.334SS..Hα-helixtrans-60.2-40.5171.4-78.6177177.6176.50112.1R103 D104 F105 Q109 K110R103-K107 HydrophobicContact CG-CD 4.34Å; R103-K107 VanDerWaalsContact NH2-NZ 3.14Å; R103-K107 WeakPolarHBondContact O-CB 3.43Å; R103-K107 WeakPolarHBondContact O-CG 3.39Å; R103-K107 PolarHBondContact O-N 3.48Å; D104-K107 PolarHBondContact O-N 2.9Å; F105-K107 PolarHBondContact O-N 3.04Å; K107-Q109 PolarHBondContact O-N 2.99Å; K107-K110 WeakPolarHBondContact O-CA 3.4Å; K107-K110 PolarHBondContact O-N 3.26Å
108K80.2Confident86.2Confident108 Ų10867.7 Ų67.747%0.4733%0.334SS..Hα-helixtrans-60.2-32.5174-68.7170.9-177.6176.30111.6S88 D104 F105 L106 K110S88-K108 PolarHBondContact O-NZ 3.31Å; D104-K108 WeakPolarHBondContact O-CG 3.46Å; D104-K108 PolarHBondContact O-N 3.06Å; D104-K108 VanDerWaalsContact O-N 3.11Å; F105-K108 WeakPolarHBondContact O-CB 3.49Å; F105-K108 PolarHBondContact O-N 3.35Å; L106-K108 VanDerWaalsContact C-N 3.32Å; L106-K108 PolarHBondContact O-N 3Å; K108-K110 PolarHBondContact O-N 3.1Å
109Q73.1Confident86Confident109 Ų10969.4 Ų69.451%0.50935%0.345SS..THydrogen-bonded Turntrans-78.28.8174.5-57.3-55.4-39.500113.8F105 L106 K107 N111F105-Q109 HydrophobicContact CE1-CG 4.45Å; F105-Q109 HydrophobicContact CZ-CG 4.45Å; F105-Q109 PolarHBondContact O-N 2.91Å; L106-Q109 CarbonylContact O-C 3.53Å; L106-Q109 WeakPolarHBondContact O-CA 3.5Å; L106-Q109 WeakPolarHBondContact O-CB 3.29Å; L106-Q109 PolarHBondContact O-N 2.91Å; K107-Q109 PolarHBondContact O-N 2.99Å; Q109-N111 PolarHBondContact O-N 3.33Å
110K70.5Confident85.9Confident194 Ų19474.5 Ų74.584%0.84336%0.364SS*.THydrogen-bonded Turntrans63.719-176.8-52.5-178.8177.3-176.40114.3L106 K107 K108L106-K110 PolarHBondContact O-N 3.45Å; K107-K110 WeakPolarHBondContact O-CA 3.4Å; K107-K110 PolarHBondContact O-N 3.26Å; K108-K110 PolarHBondContact O-N 3.1Å
111N72.9Confident85.7Confident77 Ų7769.2 Ų69.241%0.41234%0.343SS..  trans-90.1121.3171.6-65.9-34.6000109L106 Q109 V113L106-N111 PolarHBondContact O-N 3.21Å; L106-N111 VanDerWaalsContact O-N 3.11Å; Q109-N111 PolarHBondContact O-N 3.33Å; N111-V113 HydrophobicContact CB-CG1 4.25Å; N111-V113 PolarHBondContact O-N 3.34Å
112V75.5Confident85.6Confident150 Ų15068.9 Ų68.991%0.90934%0.342SS*.  trans-81.5106.8171.4-178.60000107.6
113V82.4Confident85.6Confident14 Ų1477.1 Ų77.19%0.08538%0.378CS..  trans-122.2138.1-179.9-65.90000110.9R103 L106 N111 L117 W121R103-V113 HydrophobicContact CG-CG2 4.25Å; L106-V113 HydrophobicContact CB-CG1 4.39Å; L106-V113 HydrophobicContact CB-CG2 3.6Å; L106-V113 HydrophobicContact CD1-CB 4.44Å; L106-V113 HydrophobicContact CD1-CG1 4.26Å; L106-V113 HydrophobicContact CD1-CG2 3.79Å; L106-V113 HydrophobicContact CG-CG2 4.37Å; N111-V113 HydrophobicContact CB-CG1 4.25Å; N111-V113 PolarHBondContact O-N 3.34Å; V113-L117 HydrophobicContact CG1-CD2 4.29Å; V113-W121 HydrophobicContact CG1-CH2 4.2Å; V113-W121 HydrophobicContact CG1-CZ3 4.17Å
114S87.2Confident85.5Confident61 Ų6178.4 Ų78.443%0.42739%0.387SS..  trans-77.6157.7173.164.90000110.9D116 L117 C118S114-D116 PolarHBondContact O-N 3.19Å; S114-L117 PolarHBondContact O-N 3.22Å; S114-L117 WeakPolarHBondContact OG-CB 3.36Å; S114-L117 PolarHBondContact OG-N 3.47Å; S114-C118 PolarHBondContact O-N 3.11Å; S114-C118 PolarHBondContact O-SG 2.97Å
115M90.3Very high85.5Confident48 Ų4877 Ų7724%0.23638%0.379CS..Hα-helixtrans-60.8-36.5172.6-79-60-58.700111.6A99 Y100 R103 L117 C118 T119A99-M115 HydrophobicContact CB-CE 3.75Å; Y100-M115 HydrophobicContact CD1-CE 3.75Å; Y100-M115 HydrophobicContact CD1-SD 3.97Å; Y100-M115 HydrophobicContact CD2-CE 4.4Å; Y100-M115 HydrophobicContact CE1-CE 3.72Å; Y100-M115 HydrophobicContact CE1-SD 4.18Å; Y100-M115 HydrophobicContact CE2-CE 4.36Å; Y100-M115 HydrophobicContact CG-CE 4.11Å; R103-M115 HydrophobicContact CB-SD 4.08Å; R103-M115 WeakPolarHBondContact CD-SD 3.35Å; R103-M115 HydrophobicContact CG-SD 4.27Å; M115-L117 VanDerWaalsContact C-N 3.32Å; M115-L117 PolarHBondContact O-N 2.91Å; M115-C118 PolarHBondContact O-N 2.66Å; M115-T119 WeakPolarHBondContact O-CB 3.39Å; M115-T119 PolarHBondContact O-N 3.08Å; M115-T119 PolarHBondContact O-OG1 3.49Å
116D90.2Very high85.7Confident131 Ų13177.2 Ų77.270%0.70138%0.381SS*.Hα-helixtrans-62.8-40.1179.2-56.5-37.8000111.9S114 T119 K120S114-D116 PolarHBondContact O-N 3.19Å; D116-T119 PolarHBondContact O-N 2.8Å; D116-K120 WeakPolarHBondContact O-CB 3.43Å; D116-K120 PolarHBondContact O-N 3.02Å
117L88Confident85.8Confident59 Ų5984.2 Ų84.231%0.30941%0.412SS..Hα-helixtrans-67.4-42.1176.6-175.559.7000111.5V113 S114 M115 T119 K120 W121V113-L117 HydrophobicContact CG1-CD2 4.29Å; S114-L117 PolarHBondContact O-N 3.22Å; S114-L117 WeakPolarHBondContact OG-CB 3.36Å; S114-L117 PolarHBondContact OG-N 3.47Å; M115-L117 VanDerWaalsContact C-N 3.32Å; M115-L117 PolarHBondContact O-N 2.91Å; L117-T119 PolarHBondContact O-N 3.37Å; L117-K120 PolarHBondContact O-N 3.22Å; L117-W121 HydrophobicContact CD1-CD2 4.3Å; L117-W121 HydrophobicContact CD1-CZ2 3.92Å; L117-W121 HydrophobicContact CD2-CH2 3.77Å; L117-W121 HydrophobicContact CD2-CZ2 3.68Å; L117-W121 HydrophobicContact CD2-CZ3 4.39Å; L117-W121 HydrophobicContact CG-CD2 4.07Å; L117-W121 HydrophobicContact CG-CE3 4.35Å; L117-W121 HydrophobicContact CG-CH2 4.05Å; L117-W121 HydrophobicContact CG-CZ2 3.74Å; L117-W121 HydrophobicContact CG-CZ3 4.34Å; L117-W121 PolarHBondContact O-N 2.83Å
118C90.6Very high86.1Confident0 Ų083.9 Ų83.90%041%0.414CS..Hα-helixtrans-61.7-45.3176.1-60.60000111L102 S114 M115 K120 W121 I122L102-C118 HydrophobicContact CD2-CB 4.29Å; S114-C118 PolarHBondContact O-N 3.11Å; S114-C118 PolarHBondContact O-SG 2.97Å; M115-C118 PolarHBondContact O-N 2.66Å; C118-K120 VanDerWaalsContact C-N 3.32Å; C118-K120 PolarHBondContact O-N 2.7Å; C118-W121 PolarHBondContact O-N 3.24Å; C118-I122 WeakPolarHBondContact O-CG1 3.45Å; C118-I122 PolarHBondContact O-N 3.34Å
119T91Very high86.6Confident75 Ų7581.3 Ų81.346%0.4642%0.419SS..Hα-helixtrans-61.4-41.2177.3-52.80000111.4M115 D116 L117 I122 K123M115-T119 WeakPolarHBondContact O-CB 3.39Å; M115-T119 PolarHBondContact O-N 3.08Å; M115-T119 PolarHBondContact O-OG1 3.49Å; D116-T119 PolarHBondContact O-N 2.8Å; L117-T119 PolarHBondContact O-N 3.37Å; T119-I122 PolarHBondContact O-N 2.84Å; T119-K123 WeakPolarHBondContact O-CB 3.21Å; T119-K123 PolarHBondContact O-N 3.41Å
120K90.2Very high87.6Confident124 Ų12478.7 Ų78.754%0.53941%0.408SS..Hα-helixtrans-62.9-42.3175.3-176.6178.6177.6-179.10112D116 L117 C118 K123 Q124D116-K120 WeakPolarHBondContact O-CB 3.43Å; D116-K120 PolarHBondContact O-N 3.02Å; L117-K120 PolarHBondContact O-N 3.22Å; C118-K120 VanDerWaalsContact C-N 3.32Å; C118-K120 PolarHBondContact O-N 2.7Å; K120-K123 PolarHBondContact O-N 3.24Å; K120-Q124 VanDerWaalsContact O-CG 3.29Å; K120-Q124 WeakPolarHBondContact O-CG 3.38Å; K120-Q124 PolarHBondContact O-N 3.01Å; K120-Q124 VanDerWaalsContact O-N 3.13Å
121W89.8Confident88.7Confident49 Ų4977 Ų7719%0.18640%0.403CS..Hα-helixtrans-68-39.4178.6-72.8-23.6000113.1L106 V113 L117 C118 Q124 N125 F141 M145L106-W121 HydrophobicContact CD1-CE3 3.96Å; L106-W121 HydrophobicContact CD1-CZ3 3.52Å; L106-W121 HydrophobicContact CD2-CZ3 4.32Å; V113-W121 HydrophobicContact CG1-CH2 4.2Å; V113-W121 HydrophobicContact CG1-CZ3 4.17Å; L117-W121 HydrophobicContact CD1-CD2 4.3Å; L117-W121 HydrophobicContact CD1-CZ2 3.92Å; L117-W121 HydrophobicContact CD2-CH2 3.77Å; L117-W121 HydrophobicContact CD2-CZ2 3.68Å; L117-W121 HydrophobicContact CD2-CZ3 4.39Å; L117-W121 HydrophobicContact CG-CD2 4.07Å; L117-W121 HydrophobicContact CG-CE3 4.35Å; L117-W121 HydrophobicContact CG-CH2 4.05Å; L117-W121 HydrophobicContact CG-CZ2 3.74Å; L117-W121 HydrophobicContact CG-CZ3 4.34Å; L117-W121 PolarHBondContact O-N 2.83Å; C118-W121 PolarHBondContact O-N 3.24Å; W121-Q124 PolarHBondContact O-N 3.46Å; W121-N125 PolarHBondContact O-N 3.38Å; W121-N125 PolarHBondContact O-ND2 3.17Å; W121-F141 HydrophobicContact CB-CD2 4.21Å; W121-F141 HydrophobicContact CB-CE2 3.88Å; W121-F141 AromaticContact CD2-CE2 3.67Å; W121-F141 HydrophobicContact CD2-CE2 3.67Å; W121-F141 HydrophobicContact CD2-CZ 4.26Å; W121-F141 AromaticContact CE3-CE2 3.56Å; W121-F141 HydrophobicContact CE3-CE2 3.56Å; W121-F141 AromaticContact CE3-CZ 3.66Å; W121-F141 HydrophobicContact CE3-CZ 3.66Å; W121-F141 HydrophobicContact CG-CD2 4.48Å; W121-F141 AromaticContact CG-CE2 3.84Å; W121-F141 HydrophobicContact CG-CE2 3.84Å; W121-F141 HydrophobicContact CZ3-CE2 4.22Å; W121-F141 HydrophobicContact CZ3-CZ 4.02Å; W121-M145 HydrophobicContact CH2-CE 3.7Å; W121-M145 HydrophobicContact CH2-SD 3.94Å; W121-M145 HydrophobicContact CZ2-SD 4.24Å; W121-M145 HydrophobicContact CZ3-CE 3.73Å; W121-M145 HydrophobicContact CZ3-SD 4.38Å
122I93Very high89.7Confident5 Ų576.5 Ų76.53%0.02640%0.398CS..Hα-helixtrans-58.2-55.2171.8-70.9-177.8000109.1A99 L102 C118 T119 Q124 N125 D126 Q131 L133A99-I122 HydrophobicContact CB-CD1 3.77Å; L102-I122 HydrophobicContact CD2-CD1 4.24Å; L102-I122 HydrophobicContact CD2-CG1 3.8Å; C118-I122 WeakPolarHBondContact O-CG1 3.45Å; C118-I122 PolarHBondContact O-N 3.34Å; T119-I122 PolarHBondContact O-N 2.84Å; I122-Q124 PolarHBondContact O-N 2.9Å; I122-N125 PolarHBondContact O-N 2.65Å; I122-D126 HydrophobicContact CG2-CB 4.18Å; I122-D126 WeakPolarHBondContact O-CB 3.38Å; I122-D126 PolarHBondContact O-N 3.49Å; I122-Q131 WeakPolarHBondContact CG2-O 3.23Å; I122-L133 HydrophobicContact CG1-CD1 4.15Å; I122-L133 HydrophobicContact CG1-CG 4.08Å
123K91.4Very high90.6Very high173 Ų17369.4 Ų69.475%0.75235%0.354SS*.Hα-helixtrans-56.3-26.4-179.4-172.2174.1-178.9176.50114.4T119 K120T119-K123 WeakPolarHBondContact O-CB 3.21Å; T119-K123 PolarHBondContact O-N 3.41Å; K120-K123 PolarHBondContact O-N 3.24Å
124Q90.4Very high91.2Very high102 Ų10270.8 Ų70.848%0.47736%0.361SS..Hα-helixtrans-78.5-30.9177.4-75.7173.8-1600113.3K120 W121 I122K120-Q124 VanDerWaalsContact O-CG 3.29Å; K120-Q124 WeakPolarHBondContact O-CG 3.38Å; K120-Q124 PolarHBondContact O-N 3.01Å; K120-Q124 VanDerWaalsContact O-N 3.13Å; W121-Q124 PolarHBondContact O-N 3.46Å; I122-Q124 PolarHBondContact O-N 2.9Å
125N90Very high91.3Very high21 Ų2170.8 Ų70.811%0.11235%0.352CS..Hα-helixtrans-106.7-23.9-172.3-68.9-80000113.3W121 I122 K127 L133 E137 F141W121-N125 PolarHBondContact O-N 3.38Å; W121-N125 PolarHBondContact O-ND2 3.17Å; I122-N125 PolarHBondContact O-N 2.65Å; N125-K127 PolarHBondContact O-N 3.32Å; N125-K127 VanDerWaalsContact O-N 3.12Å; N125-L133 HydrophobicContact CB-CD2 3.64Å; N125-E137 WeakPolarHBondContact O-CG 3.45Å; N125-F141 HydrophobicContact CB-CB 4.36Å
126D92Very high91.2Very high25 Ų2574.7 Ų74.713%0.13437%0.37CS..  trans-63.7100.8172.2175.512.2000110I122 N128 G129 D130 Q131I122-D126 HydrophobicContact CG2-CB 4.18Å; I122-D126 WeakPolarHBondContact O-CB 3.38Å; I122-D126 PolarHBondContact O-N 3.49Å; D126-N128 PolarHBondContact OD1-N 3.29Å; D126-N128 PolarHBondContact OD1-OD1 2.73Å; D126-N128 VanDerWaalsContact OD1-OD1 3.05Å; D126-G129 VanDerWaalsContact OD1-CA 3.28Å; D126-G129 WeakPolarHBondContact OD1-CA 3.29Å; D126-G129 PolarHBondContact OD1-N 2.89Å; D126-G129 WeakPolarHBondContact OD2-CA 3.47Å; D126-D130 PolarHBondContact OD1-N 2.92Å; D126-D130 PolarHBondContact OD2-N 2.85Å; D126-Q131 VanDerWaalsContact OD2-CA 3.23Å; D126-Q131 WeakPolarHBondContact OD2-CA 3.33Å; D126-Q131 PolarHBondContact OD2-N 3.42Å
127K89.2Confident91.3Very high151 Ų15168.7 Ų68.766%0.65734%0.338SS*.SBendtrans-90.4-29.2179-64.6-53-179.6-165.40111.8N125 E137N125-K127 PolarHBondContact O-N 3.32Å; N125-K127 VanDerWaalsContact O-N 3.12Å; K127-E137 PolarHBondContact N-OE1 3.16Å
128N91.2Very high91.4Very high85 Ų8565.9 Ų65.946%0.45532%0.323SS..SBendtrans-84.3-15.9-178.173.428.5000112.7D126 D130 E137D126-N128 PolarHBondContact OD1-N 3.29Å; D126-N128 PolarHBondContact OD1-OD1 2.73Å; D126-N128 VanDerWaalsContact OD1-OD1 3.05Å; N128-D130 PolarHBondContact ND2-OD2 3.01Å; N128-D130 VanDerWaalsContact OD1-CB 3.24Å; N128-D130 WeakPolarHBondContact OD1-CB 3.4Å; N128-D130 PolarHBondContact OD1-N 3.04Å; N128-D130 PolarHBondContact OD1-OD1 3.08Å; N128-D130 PolarHBondContact OD1-OD2 2.96Å; N128-E137 PolarHBondContact N-OE1 3.14Å
129G90.3Very high91.1Very high55 Ų5567.4 Ų67.457%0.56733%0.331SS*.SBendtrans83.216.3175.700000115.1D126 Q131D126-G129 VanDerWaalsContact OD1-CA 3.28Å; D126-G129 WeakPolarHBondContact OD1-CA 3.29Å; D126-G129 PolarHBondContact OD1-N 2.89Å; D126-G129 WeakPolarHBondContact OD2-CA 3.47Å; G129-Q131 VanDerWaalsContact C-N 3.3Å; G129-Q131 PolarHBondContact O-N 3.06Å
130D94Very high90.7Very high54 Ų5468.4 Ų68.429%0.28933%0.329SS..SBendtrans-86.72.9-176.475.65.9000114.5Q96 D126 N128 K132Q96-D130 PolarHBondContact NE2-OD2 3.13Å; D126-D130 PolarHBondContact OD1-N 2.92Å; D126-D130 PolarHBondContact OD2-N 2.85Å; N128-D130 PolarHBondContact ND2-OD2 3.01Å; N128-D130 VanDerWaalsContact OD1-CB 3.24Å; N128-D130 WeakPolarHBondContact OD1-CB 3.4Å; N128-D130 PolarHBondContact OD1-N 3.04Å; N128-D130 PolarHBondContact OD1-OD1 3.08Å; N128-D130 PolarHBondContact OD1-OD2 2.96Å; D130-K132 PolarHBondContact O-N 2.96Å; D130-K132 WeakPolarHBondContact OD1-CA 3.48Å; D130-K132 WeakPolarHBondContact OD1-CB 3.44Å; D130-K132 PolarHBondContact OD1-N 3.26Å
131Q92.7Very high90.5Very high158 Ų15862.7 Ų62.774%0.73830%0.304SS*.SBendtrans64.122.4-178.3-56.6170.974.100114I122 D126 G129I122-Q131 WeakPolarHBondContact CG2-O 3.23Å; D126-Q131 VanDerWaalsContact OD2-CA 3.23Å; D126-Q131 WeakPolarHBondContact OD2-CA 3.33Å; D126-Q131 PolarHBondContact OD2-N 3.42Å; G129-Q131 VanDerWaalsContact C-N 3.3Å; G129-Q131 PolarHBondContact O-N 3.06Å
132K95.2Very high90.1Very high67 Ų6761.2 Ų61.229%0.29130%0.301SS..SBendtrans-129.9177173.4-57.9178.5-177.1178.70109.1Q96 I97 D98 D130Q96-K132 HydrophobicContact CB-CB 4.07Å; Q96-K132 HydrophobicContact CB-CD 3.9Å; I97-K132 WeakPolarHBondContact O-CA 3.47Å; D98-K132 HydrophobicContact CB-CG 4.31Å; D130-K132 PolarHBondContact O-N 2.96Å; D130-K132 WeakPolarHBondContact OD1-CA 3.48Å; D130-K132 WeakPolarHBondContact OD1-CB 3.44Å; D130-K132 PolarHBondContact OD1-N 3.26Å
133L93.9Very high89.2Confident0 Ų066.7 Ų66.70%033%0.326CS..BIsolated β-bridgetrans-115.6115.5171.2-59.9175.5000108.5Q96 I97 L102 I122 N125 E137 F138 F141Q96-L133 CarbonylContact C-O 3.52Å; Q96-L133 WeakPolarHBondContact CA-O 3.21Å; I97-L133 HydrophobicContact CB-CB 4.42Å; I97-L133 PolarHBondContact N-O 3.43Å; I97-L133 PolarHBondContact O-N 3.31Å; L102-L133 HydrophobicContact CD2-CD1 4.39Å; I122-L133 HydrophobicContact CG1-CD1 4.15Å; I122-L133 HydrophobicContact CG1-CG 4.08Å; N125-L133 HydrophobicContact CB-CD2 3.64Å; L133-E137 WeakPolarHBondContact CA-OE2 3.13Å; L133-E137 HydrophobicContact CB-CB 4.22Å; L133-E137 HydrophobicContact CD2-CB 3.8Å; L133-F138 HydrophobicContact CB-CB 4.23Å; L133-F138 HydrophobicContact CD1-CD2 4.47Å; L133-F141 HydrophobicContact CD1-CB 4.32Å; L133-F141 HydrophobicContact CD1-CG 4.45Å
134D94Very high88.4Confident43 Ų4362.4 Ų62.423%0.2332%0.318CS..  trans-67.9179.6162.971.238.5000110.9E136 E137 F138D134-E136 PolarHBondContact O-N 2.99Å; D134-E136 WeakPolarHBondContact OD1-CA 3.38Å; D134-E136 PolarHBondContact OD1-N 2.92Å; D134-E137 PolarHBondContact N-OE2 2.89Å; D134-E137 PolarHBondContact O-N 3.33Å; D134-E137 WeakPolarHBondContact OD1-CG 3.24Å; D134-E137 PolarHBondContact OD1-N 3.46Å; D134-F138 VanDerWaalsContact O-CB 3.27Å; D134-F138 WeakPolarHBondContact O-CB 3.16Å; D134-F138 PolarHBondContact O-N 3.21Å
135Y89.2Confident87.4Confident61 Ų6161.4 Ų61.424%0.23931%0.314CS..Hα-helixtrans-56.9-46.7-179.7-178.2-111.5000112.5D79 R83 F86 F138 L139D79-Y135 PolarHBondContact OD1-OH 3.28Å; R83-Y135 HydrophobicContact CG-CE2 3.92Å; R83-Y135 WeakPolarHBondContact CG-OH 3.5Å; F86-Y135 HydrophobicContact CB-CD2 3.92Å; F86-Y135 HydrophobicContact CB-CE2 4.09Å; F86-Y135 HydrophobicContact CD1-CD2 4.16Å; F86-Y135 AromaticContact CD2-CD2 3.83Å; F86-Y135 HydrophobicContact CD2-CD2 3.83Å; F86-Y135 HydrophobicContact CE2-CD2 4.43Å; F86-Y135 AromaticContact CG-CD2 3.69Å; F86-Y135 HydrophobicContact CG-CD2 3.69Å; F86-Y135 HydrophobicContact CG-CE2 4.36Å; Y135-F138 PolarHBondContact O-N 2.86Å; Y135-L139 HydrophobicContact CD1-CD1 4.17Å; Y135-L139 HydrophobicContact CE1-CD1 3.7Å; Y135-L139 HydrophobicContact CE1-CD2 4.5Å; Y135-L139 HydrophobicContact CE1-CG 4.19Å; Y135-L139 HydrophobicContact CE2-CD2 4.26Å; Y135-L139 HydrophobicContact CE2-CG 4.45Å; Y135-L139 VanDerWaalsContact O-CG 3.27Å; Y135-L139 WeakPolarHBondContact O-CG 3.17Å; Y135-L139 PolarHBondContact O-N 3.18Å
136E89.1Confident85.8Confident130 Ų13068 Ų6861%0.60735%0.349SS*.Hα-helixtrans-70.1-37-176.8-62.6-168.3171.900112.6D134 L139 K140D134-E136 PolarHBondContact O-N 2.99Å; D134-E136 WeakPolarHBondContact OD1-CA 3.38Å; D134-E136 PolarHBondContact OD1-N 2.92Å; E136-L139 WeakPolarHBondContact O-CB 3.36Å; E136-L139 PolarHBondContact O-N 3.33Å; E136-K140 PolarHBondContact O-N 2.8Å
137E91.5Very high85.5Confident5 Ų570.2 Ų70.22%0.02336%0.36CS..Hα-helixtrans-69.5-40176.9-64.1169.8149.100111N125 K127 N128 L133 D134 L139 K140 F141N125-E137 WeakPolarHBondContact O-CG 3.45Å; K127-E137 PolarHBondContact N-OE1 3.16Å; N128-E137 PolarHBondContact N-OE1 3.14Å; L133-E137 WeakPolarHBondContact CA-OE2 3.13Å; L133-E137 HydrophobicContact CB-CB 4.22Å; L133-E137 HydrophobicContact CD2-CB 3.8Å; D134-E137 PolarHBondContact N-OE2 2.89Å; D134-E137 PolarHBondContact O-N 3.33Å; D134-E137 WeakPolarHBondContact OD1-CG 3.24Å; D134-E137 PolarHBondContact OD1-N 3.46Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3Å; E137-K140 PolarHBondContact O-N 3.49Å; E137-F141 PolarHBondContact O-N 3.07Å
138F89.9Confident85.3Confident0 Ų065.9 Ų65.90%034%0.344CS..Hα-helixtrans-62.9-39.8172.2-179-103.1000111.8A85 F86 A89 I97 L102 F105 L133 D134 Y135 K140 F141 V142A85-F138 HydrophobicContact CB-CE1 4.02Å; A85-F138 HydrophobicContact CB-CZ 4.28Å; F86-F138 HydrophobicContact CB-CD1 4.09Å; F86-F138 HydrophobicContact CB-CE1 4.16Å; F86-F138 HydrophobicContact CD2-CB 3.84Å; F86-F138 AromaticContact CD2-CD1 3.7Å; F86-F138 HydrophobicContact CD2-CD1 3.7Å; F86-F138 HydrophobicContact CD2-CE1 4.43Å; F86-F138 AromaticContact CD2-CG 3.85Å; F86-F138 HydrophobicContact CD2-CG 3.85Å; F86-F138 HydrophobicContact CE2-CB 4.07Å; F86-F138 HydrophobicContact CE2-CG 4.47Å; F86-F138 HydrophobicContact CG-CD1 4.41Å; A89-F138 HydrophobicContact CB-CE2 4.49Å; I97-F138 HydrophobicContact CD1-CB 4.13Å; I97-F138 HydrophobicContact CD1-CD1 4.21Å; I97-F138 HydrophobicContact CD1-CD2 3.35Å; I97-F138 HydrophobicContact CD1-CE1 4.47Å; I97-F138 HydrophobicContact CD1-CE2 3.68Å; I97-F138 HydrophobicContact CD1-CG 3.63Å; I97-F138 HydrophobicContact CD1-CZ 4.22Å; L102-F138 HydrophobicContact CD1-CE2 4.5Å; F105-F138 HydrophobicContact CE1-CE2 4.39Å; F105-F138 HydrophobicContact CE1-CZ 4.05Å; F105-F138 HydrophobicContact CZ-CZ 4.13Å; L133-F138 HydrophobicContact CB-CB 4.23Å; L133-F138 HydrophobicContact CD1-CD2 4.47Å; D134-F138 VanDerWaalsContact O-CB 3.27Å; D134-F138 WeakPolarHBondContact O-CB 3.16Å; D134-F138 PolarHBondContact O-N 3.21Å; Y135-F138 PolarHBondContact O-N 2.86Å; F138-K140 VanDerWaalsContact C-N 3.33Å; F138-K140 PolarHBondContact O-N 3.07Å; F138-F141 HydrophobicContact CD2-CD1 4.14Å; F138-F141 HydrophobicContact CE2-CD1 4.18Å; F138-F141 WeakPolarHBondContact O-CB 3.34Å; F138-F141 PolarHBondContact O-N 2.81Å; F138-V142 HydrophobicContact CD1-CG2 3.96Å; F138-V142 HydrophobicContact CD2-CG2 4.19Å; F138-V142 HydrophobicContact CE1-CG2 3.53Å; F138-V142 HydrophobicContact CE2-CG2 3.78Å; F138-V142 HydrophobicContact CG-CG2 4.29Å; F138-V142 HydrophobicContact CZ-CG2 3.44Å; F138-V142 VanDerWaalsContact CZ-CG2 3.44Å; F138-V142 WeakPolarHBondContact O-CG2 3.24Å; F138-V142 PolarHBondContact O-N 3.19Å
139L84.8Confident84.9Confident32 Ų3264.9 Ų64.917%0.16834%0.338CS..Hα-helixtrans-56.8-47.9174.4-72.8-177.6000111.6M82 Y135 E136 E137 F141 V142 Q143M82-L139 HydrophobicContact CB-CD2 3.3Å; M82-L139 HydrophobicContact CE-CD2 4.09Å; M82-L139 HydrophobicContact CG-CD2 3.28Å; M82-L139 HydrophobicContact SD-CD2 3.73Å; Y135-L139 HydrophobicContact CD1-CD1 4.17Å; Y135-L139 HydrophobicContact CE1-CD1 3.7Å; Y135-L139 HydrophobicContact CE1-CD2 4.5Å; Y135-L139 HydrophobicContact CE1-CG 4.19Å; Y135-L139 HydrophobicContact CE2-CD2 4.26Å; Y135-L139 HydrophobicContact CE2-CG 4.45Å; Y135-L139 VanDerWaalsContact O-CG 3.27Å; Y135-L139 WeakPolarHBondContact O-CG 3.17Å; Y135-L139 PolarHBondContact O-N 3.18Å; E136-L139 WeakPolarHBondContact O-CB 3.36Å; E136-L139 PolarHBondContact O-N 3.33Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3Å; L139-F141 VanDerWaalsContact C-N 3.34Å; L139-V142 PolarHBondContact O-N 3.33Å; L139-Q143 WeakPolarHBondContact O-CB 3.45Å; L139-Q143 VanDerWaalsContact O-CG 3.25Å; L139-Q143 WeakPolarHBondContact O-CG 3.37Å; L139-Q143 PolarHBondContact O-N 3.5Å
140K83.8Confident84.6Confident97 Ų9765.5 Ų65.542%0.42232%0.324SS..Hα-helixtrans-61.8-43.9177.9-71.3169.7-179.8156.30111.3E136 E137 F138 Q143 S144E136-K140 PolarHBondContact O-N 2.8Å; E137-K140 PolarHBondContact O-N 3.49Å; F138-K140 VanDerWaalsContact C-N 3.33Å; F138-K140 PolarHBondContact O-N 3.07Å; K140-Q143 PolarHBondContact O-N 2.95Å; K140-S144 WeakPolarHBondContact O-CB 3.4Å; K140-S144 PolarHBondContact O-N 3.26Å; K140-S144 PolarHBondContact O-OG 2.75Å
141F85.4Confident84Confident4 Ų466.2 Ų66.22%0.01833%0.326CS..Hα-helixtrans-56.6-52.7175.2166.1-105.7000111.4L102 L106 W121 N125 L133 E137 F138 L139 Q143 S144 M145L102-F141 HydrophobicContact CD1-CD1 4.3Å; L102-F141 HydrophobicContact CD1-CE1 3.66Å; L102-F141 HydrophobicContact CD1-CZ 4.07Å; L106-F141 HydrophobicContact CD2-CZ 4.47Å; W121-F141 HydrophobicContact CB-CD2 4.21Å; W121-F141 HydrophobicContact CB-CE2 3.88Å; W121-F141 AromaticContact CD2-CE2 3.67Å; W121-F141 HydrophobicContact CD2-CE2 3.67Å; W121-F141 HydrophobicContact CD2-CZ 4.26Å; W121-F141 AromaticContact CE3-CE2 3.56Å; W121-F141 HydrophobicContact CE3-CE2 3.56Å; W121-F141 AromaticContact CE3-CZ 3.66Å; W121-F141 HydrophobicContact CE3-CZ 3.66Å; W121-F141 HydrophobicContact CG-CD2 4.48Å; W121-F141 AromaticContact CG-CE2 3.84Å; W121-F141 HydrophobicContact CG-CE2 3.84Å; W121-F141 HydrophobicContact CZ3-CE2 4.22Å; W121-F141 HydrophobicContact CZ3-CZ 4.02Å; N125-F141 HydrophobicContact CB-CB 4.36Å; L133-F141 HydrophobicContact CD1-CB 4.32Å; L133-F141 HydrophobicContact CD1-CG 4.45Å; E137-F141 PolarHBondContact O-N 3.07Å; F138-F141 HydrophobicContact CD2-CD1 4.14Å; F138-F141 HydrophobicContact CE2-CD1 4.18Å; F138-F141 WeakPolarHBondContact O-CB 3.34Å; F138-F141 PolarHBondContact O-N 2.81Å; L139-F141 VanDerWaalsContact C-N 3.34Å; F141-Q143 VanDerWaalsContact C-N 3.33Å; F141-Q143 PolarHBondContact O-N 2.63Å; F141-S144 PolarHBondContact O-N 3.41Å; F141-S144 VanDerWaalsContact O-N 3.14Å; F141-S144 PolarHBondContact O-OG 2.89Å; F141-M145 HydrophobicContact CE2-CE 4.48Å; F141-M145 HydrophobicContact CE2-SD 4.47Å; F141-M145 HydrophobicContact CZ-CE 3.77Å; F141-M145 HydrophobicContact CZ-SD 4.27Å; F141-M145 PolarHBondContact O-N 2.86Å; F141-M145 VanDerWaalsContact O-N 3.11Å
142V81.1Confident83.5Confident18 Ų1860.1 Ų60.111%0.10930%0.299CS..Hα-helixtrans-65.9-37.1-177.7179.80000111.5I77 M82 F138 L139 S144 M145I77-V142 HydrophobicContact CD1-CG1 3.23Å; M82-V142 HydrophobicContact CE-CB 3.89Å; M82-V142 HydrophobicContact CE-CG1 3.73Å; M82-V142 HydrophobicContact SD-CB 4.03Å; M82-V142 HydrophobicContact SD-CG1 3.79Å; F138-V142 HydrophobicContact CD1-CG2 3.96Å; F138-V142 HydrophobicContact CD2-CG2 4.19Å; F138-V142 HydrophobicContact CE1-CG2 3.53Å; F138-V142 HydrophobicContact CE2-CG2 3.78Å; F138-V142 HydrophobicContact CG-CG2 4.29Å; F138-V142 HydrophobicContact CZ-CG2 3.44Å; F138-V142 VanDerWaalsContact CZ-CG2 3.44Å; F138-V142 WeakPolarHBondContact O-CG2 3.24Å; F138-V142 PolarHBondContact O-N 3.19Å; L139-V142 PolarHBondContact O-N 3.33Å; V142-S144 VanDerWaalsContact C-N 3.34Å; V142-M145 PolarHBondContact O-N 3.4Å
143Q74.8Confident82.6Confident120 Ų12059.6 Ų59.656%0.56130%0.3SS*.Hα-helixtrans-64.1-37.1173.2-74.1174.412.500112.5M82 L139 K140 F141 M145M82-Q143 HydrophobicContact CE-CG 3.93Å; L139-Q143 WeakPolarHBondContact O-CB 3.45Å; L139-Q143 VanDerWaalsContact O-CG 3.25Å; L139-Q143 WeakPolarHBondContact O-CG 3.37Å; L139-Q143 PolarHBondContact O-N 3.5Å; K140-Q143 PolarHBondContact O-N 2.95Å; F141-Q143 VanDerWaalsContact C-N 3.33Å; F141-Q143 PolarHBondContact O-N 2.63Å; Q143-M145 VanDerWaalsContact C-N 3.3Å; Q143-M145 PolarHBondContact O-N 3.45Å
144S73.7Confident81.8Confident83 Ų8364.2 Ų64.258%0.5832%0.323SS*.Hα-helixtrans-75.1-17.9178.474.10000114.4K140 F141 V142K140-S144 WeakPolarHBondContact O-CB 3.4Å; K140-S144 PolarHBondContact O-N 3.26Å; K140-S144 PolarHBondContact O-OG 2.75Å; F141-S144 PolarHBondContact O-N 3.41Å; F141-S144 VanDerWaalsContact O-N 3.14Å; F141-S144 PolarHBondContact O-OG 2.89Å; V142-S144 VanDerWaalsContact C-N 3.34Å
145M70.5Confident80.7Confident80 Ų8065.9 Ų65.939%0.39433%0.33SS..Hα-helixtrans-82.1-23.4-179.2-171.985.1125.400112.4L106 W121 F141 V142 Q143L106-M145 HydrophobicContact CD2-CE 3.4Å; L106-M145 VanDerWaalsContact CD2-CE 3.4Å; W121-M145 HydrophobicContact CH2-CE 3.7Å; W121-M145 HydrophobicContact CH2-SD 3.94Å; W121-M145 HydrophobicContact CZ2-SD 4.24Å; W121-M145 HydrophobicContact CZ3-CE 3.73Å; W121-M145 HydrophobicContact CZ3-SD 4.38Å; F141-M145 HydrophobicContact CE2-CE 4.48Å; F141-M145 HydrophobicContact CE2-SD 4.47Å; F141-M145 HydrophobicContact CZ-CE 3.77Å; F141-M145 HydrophobicContact CZ-SD 4.27Å; F141-M145 PolarHBondContact O-N 2.86Å; F141-M145 VanDerWaalsContact O-N 3.11Å; V142-M145 PolarHBondContact O-N 3.4Å; Q143-M145 VanDerWaalsContact C-N 3.3Å; Q143-M145 PolarHBondContact O-N 3.45Å
146L55.4Low80Confident161 Ų16166.4 Ų66.484%0.84334%0.339SS*.  trans-88.30178.1-69.2-176.7000111.5I77I77-L146 HydrophobicContact CD1-CD1 3.36Å; I77-L146 HydrophobicContact CD1-CG 4.24Å; I77-L146 HydrophobicContact CG1-CD1 3.56Å

Retrieved 146 of 146 residues in 253.6 ms (Link to these results)

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