A0A3B3U0K6_9TELE Loading...

Coactosin-like protein

Binds to F-actin in a calcium-independent manner. Has no direct effect on actin depolymerization. Acts as a chaperone for ALOX5 (5LO), influencing both its stability and activity in leukotrienes synthesis.

AlphaFold DB , UniProt , Accession A0A3B3U0K6, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 142 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
1M70.1Confident94.8Very high197 Ų19787.1 Ų87.197%0.9743%0.432SS*.  0134.80-72.3-175.7-90.600108.4
2T90.3Very high95.1Very high121 Ų12190 Ų9074%0.74244%0.444SS*.  trans-75.1133.8178.2-55.60000109
3T96.3Very high95.4Very high22 Ų2283.5 Ų83.514%0.13541%0.413CS..  trans-67.7138.9176.8-48.10000110.3Y31 S34 I36 D97 L100T3-Y31 HydrophobicContact CG2-CD1 4.41Å; T3-Y31 HydrophobicContact CG2-CE1 3.88Å; T3-S34 CarbonylContact C-O 3.58Å; T3-S34 VanDerWaalsContact CA-O 3.26Å; T3-S34 WeakPolarHBondContact CA-O 3.39Å; T3-I36 HydrophobicContact CG2-CD1 4.09Å; T3-I36 HydrophobicContact CG2-CG1 4.1Å; T3-D97 WeakPolarHBondContact CB-OD1 3.21Å; T3-D97 HydrophobicContact CG2-CB 4.24Å; T3-D97 VanDerWaalsContact OG1-CG 3.27Å; T3-D97 PolarHBondContact OG1-OD1 2.64Å; T3-D97 PolarHBondContact OG1-OD2 3.12Å; T3-L100 HydrophobicContact CG2-CD1 3.91Å; T3-L100 WeakPolarHBondContact O-CD1 3.42Å
4Q97.6Very high95.6Very high123 Ų12378.1 Ų78.158%0.57539%0.385SS*.EExtended strand (participates in β ladder)trans-121.6169.4174.1-62.7-178-5.800109.8S34 T35 I36Q4-S34 PolarHBondContact N-O 2.99Å; Q4-T35 HydrophobicContact CB-CG2 4.47Å; Q4-T35 CarbonylContact O-C 3.6Å; Q4-T35 WeakPolarHBondContact O-CA 3.37Å; Q4-I36 PolarHBondContact O-N 3.21Å
5I98.2Very high95.8Very high22 Ų2278.2 Ų78.211%0.11339%0.388CS..EExtended strand (participates in β ladder)trans-133.3135.4172.7-176.7168.6000109.1K7 C10 I36 L100 V101 V104I5-K7 VanDerWaalsContact C-N 3.3Å; I5-K7 HydrophobicContact CG2-CG 3.71Å; I5-K7 PolarHBondContact O-N 3.16Å; I5-C10 HydrophobicContact CD1-CB 4.18Å; I5-C10 HydrophobicContact CG1-CB 4.36Å; I5-I36 WeakPolarHBondContact CA-O 3.08Å; I5-I36 HydrophobicContact CB-CB 4.17Å; I5-I36 HydrophobicContact CD1-CB 4.46Å; I5-I36 HydrophobicContact CD1-CG2 4.2Å; I5-I36 HydrophobicContact CG1-CB 4.02Å; I5-I36 HydrophobicContact CG1-CG2 4.16Å; I5-L100 HydrophobicContact CB-CB 4.22Å; I5-L100 WeakPolarHBondContact CD1-O 3.39Å; I5-L100 HydrophobicContact CG2-CB 3.93Å; I5-V101 HydrophobicContact CD1-CG2 4.42Å; I5-V104 HydrophobicContact CD1-CG2 4Å
6D98.4Very high95.9Very high70 Ų7077.1 Ų77.137%0.37438%0.382SS..  trans-71.889.6166.1-171.9-24.2000108.8E8 A9 C10 I36 V37D6-E8 PolarHBondContact O-N 3.35Å; D6-E8 PolarHBondContact OD1-N 2.8Å; D6-A9 HydrophobicContact CB-CB 4.28Å; D6-A9 PolarHBondContact OD1-N 3.04Å; D6-A9 VanDerWaalsContact OD1-N 3.1Å; D6-C10 VanDerWaalsContact O-CB 3.25Å; D6-C10 WeakPolarHBondContact O-CB 3.38Å; D6-C10 PolarHBondContact O-N 2.98Å; D6-C10 PolarHBondContact O-SG 2.73Å; D6-I36 PolarHBondContact N-O 3.23Å; D6-V37 HydrophobicContact CB-CG1 4.14Å
7K98.1Very high96Very high93 Ų9372.6 Ų72.640%0.40436%0.359SS..Hα-helixtrans-64-28.1-173.5-71.2-166.7173.9-163.60112.9I5 R11 D103 V104I5-K7 VanDerWaalsContact C-N 3.3Å; I5-K7 HydrophobicContact CG2-CG 3.71Å; I5-K7 PolarHBondContact O-N 3.16Å; K7-R11 WeakPolarHBondContact O-CB 3.38Å; K7-R11 PolarHBondContact O-N 3.37Å; K7-D103 IonicContact NZ-OD2 3.81Å; K7-D103 PolarHBondContact NZ-OD2 3.2Å; K7-V104 HydrophobicContact CB-CG2 4.49Å; K7-V104 HydrophobicContact CG-CG2 4.36Å
8E98.4Very high96Very high162 Ų16274 Ų7476%0.75736%0.36SS*.Hα-helixtrans-78-55.3-177.9-173.2173.1175.400109.8D6 C10 R11 E12D6-E8 PolarHBondContact O-N 3.35Å; D6-E8 PolarHBondContact OD1-N 2.8Å; E8-C10 PolarHBondContact O-N 2.82Å; E8-R11 PolarHBondContact O-N 3.2Å; E8-E12 PolarHBondContact O-N 3.11Å
9A98.4Very high96Very high27 Ų2773.6 Ų73.622%0.22336%0.36CS..Hα-helixtrans-62.6-41-179.500000112.1D6 R11 E12 A13 P38D6-A9 HydrophobicContact CB-CB 4.28Å; D6-A9 PolarHBondContact OD1-N 3.04Å; D6-A9 VanDerWaalsContact OD1-N 3.1Å; A9-R11 VanDerWaalsContact C-N 3.28Å; A9-R11 PolarHBondContact O-N 3.07Å; A9-E12 PolarHBondContact O-N 3.33Å; A9-A13 PolarHBondContact O-N 3.37Å; A9-P38 VanDerWaalsContact C-CG 3.49Å; A9-P38 HydrophobicContact CB-CG 3.73Å; A9-P38 WeakPolarHBondContact O-CG 3.37Å
10C98.6Very high95.8Very high1 Ų175.6 Ų75.61%0.00737%0.372CS..Hα-helixtrans-65.7-32.8176.5-64.90000112.3I5 D6 E8 Y14 F29 V104I5-C10 HydrophobicContact CD1-CB 4.18Å; I5-C10 HydrophobicContact CG1-CB 4.36Å; D6-C10 VanDerWaalsContact O-CB 3.25Å; D6-C10 WeakPolarHBondContact O-CB 3.38Å; D6-C10 PolarHBondContact O-N 2.98Å; D6-C10 PolarHBondContact O-SG 2.73Å; E8-C10 PolarHBondContact O-N 2.82Å; C10-Y14 VanDerWaalsContact O-CB 3.3Å; C10-Y14 WeakPolarHBondContact O-CB 3.04Å; C10-Y14 PolarHBondContact O-N 3.11Å; C10-F29 HydrophobicContact CB-CD1 4.04Å; C10-F29 HydrophobicContact CB-CE1 3.87Å; C10-V104 HydrophobicContact CB-CG1 4.11Å; C10-V104 HydrophobicContact CB-CG2 4.37Å
11R98.6Very high95.7Very high120 Ų12079 Ų7945%0.45339%0.392SS..Hα-helixtrans-73.3-36.8179.3-172.9174.6-53.6150.712.4111.9K7 E8 A9 Y14 N15 V104K7-R11 WeakPolarHBondContact O-CB 3.38Å; K7-R11 PolarHBondContact O-N 3.37Å; E8-R11 PolarHBondContact O-N 3.2Å; A9-R11 VanDerWaalsContact C-N 3.28Å; A9-R11 PolarHBondContact O-N 3.07Å; R11-Y14 PolarHBondContact O-N 2.77Å; R11-N15 VanDerWaalsContact O-CB 3.3Å; R11-N15 WeakPolarHBondContact O-CB 3.23Å; R11-N15 PolarHBondContact O-N 3.01Å; R11-N15 PolarHBondContact O-ND2 3.38Å; R11-V104 HydrophobicContact CB-CG1 3.89Å; R11-V104 HydrophobicContact CG-CG1 4.47Å
12E98.4Very high96.7Very high122 Ų12271.6 Ų71.657%0.5736%0.358SS*.Hα-helixtrans-58.5-52.9172.3-171.6-175.5162.400110.7E8 A9 Y14 N15 Q16E8-E12 PolarHBondContact O-N 3.11Å; A9-E12 PolarHBondContact O-N 3.33Å; E12-Y14 PolarHBondContact O-N 3.19Å; E12-N15 PolarHBondContact O-N 3.16Å; E12-N15 VanDerWaalsContact O-N 3.15Å; E12-Q16 WeakPolarHBondContact O-CG 3.26Å; E12-Q16 PolarHBondContact O-N 2.98Å
13A98.5Very high96.8Very high5 Ų573.9 Ų73.94%0.04136%0.36CS..Hα-helixtrans-60.6-42.3178.600000112.7A9 Q16 V17 A27 F29 P38 V41A9-A13 PolarHBondContact O-N 3.37Å; A13-Q16 PolarHBondContact O-N 3.42Å; A13-V17 PolarHBondContact O-N 3.04Å; A13-A27 HydrophobicContact CB-CB 3.97Å; A13-F29 HydrophobicContact CB-CE1 4.17Å; A13-P38 HydrophobicContact CB-CB 4.43Å; A13-P38 HydrophobicContact CB-CG 4.43Å; A13-V41 HydrophobicContact CB-CG1 3.71Å
14Y98.6Very high96.9Very high8 Ų873.7 Ų73.73%0.03136%0.359CS..Hα-helixtrans-60.3-43.4173.7164.8-110.3000112.7C10 R11 E12 V17 R18 F61 V104 V105 Q106 N107C10-Y14 VanDerWaalsContact O-CB 3.3Å; C10-Y14 WeakPolarHBondContact O-CB 3.04Å; C10-Y14 PolarHBondContact O-N 3.11Å; R11-Y14 PolarHBondContact O-N 2.77Å; E12-Y14 PolarHBondContact O-N 3.19Å; Y14-V17 PolarHBondContact O-N 2.77Å; Y14-R18 HydrophobicContact CD2-CG 4.34Å; Y14-R18 VanDerWaalsContact CE2-CD 3.42Å; Y14-R18 HydrophobicContact CE2-CG 3.96Å; Y14-R18 PolarHBondContact O-N 3.39Å; Y14-R18 VanDerWaalsContact OH-CD 3.29Å; Y14-R18 WeakPolarHBondContact OH-CD 3.23Å; Y14-R18 PolarHBondContact OH-NH1 3.45Å; Y14-F61 AromaticContact CD2-CD1 3.63Å; Y14-F61 HydrophobicContact CD2-CD1 3.63Å; Y14-F61 HydrophobicContact CD2-CD2 4.37Å; Y14-F61 AromaticContact CD2-CE1 3.5Å; Y14-F61 HydrophobicContact CD2-CE1 3.5Å; Y14-F61 HydrophobicContact CD2-CE2 4.22Å; Y14-F61 HydrophobicContact CD2-CG 4.07Å; Y14-F61 AromaticContact CD2-CZ 3.8Å; Y14-F61 HydrophobicContact CD2-CZ 3.8Å; Y14-F61 HydrophobicContact CE2-CD1 4.22Å; Y14-F61 HydrophobicContact CE2-CD2 4.42Å; Y14-F61 AromaticContact CE2-CE1 3.7Å; Y14-F61 HydrophobicContact CE2-CE1 3.7Å; Y14-F61 AromaticContact CE2-CE2 3.89Å; Y14-F61 HydrophobicContact CE2-CE2 3.89Å; Y14-F61 AromaticContact CE2-CZ 3.5Å; Y14-F61 HydrophobicContact CE2-CZ 3.5Å; Y14-V104 WeakPolarHBondContact CE1-O 3.32Å; Y14-V105 HydrophobicContact CD2-CB 4.21Å; Y14-V105 HydrophobicContact CD2-CG1 4.01Å; Y14-V105 HydrophobicContact CD2-CG2 3.97Å; Y14-V105 HydrophobicContact CE2-CB 4.3Å; Y14-V105 HydrophobicContact CE2-CG1 3.92Å; Y14-V105 HydrophobicContact CG-CG2 4.41Å; Y14-Q106 PolarHBondContact OH-N 2.62Å; Y14-N107 PolarHBondContact OH-N 2.81Å; Y14-N107 PolarHBondContact OH-ND2 3.3Å
15N98.2Very high96.9Very high80 Ų8068.8 Ų68.843%0.42834%0.338SS..Hα-helixtrans-68.7-34.8-179.4-75.3-18.1000112.1R11 E12 V17 R18 D19R11-N15 VanDerWaalsContact O-CB 3.3Å; R11-N15 WeakPolarHBondContact O-CB 3.23Å; R11-N15 PolarHBondContact O-N 3.01Å; R11-N15 PolarHBondContact O-ND2 3.38Å; E12-N15 PolarHBondContact O-N 3.16Å; E12-N15 VanDerWaalsContact O-N 3.15Å; N15-V17 PolarHBondContact O-N 2.77Å; N15-R18 PolarHBondContact O-N 2.91Å; N15-D19 WeakPolarHBondContact O-CB 3.46Å; N15-D19 PolarHBondContact O-N 2.78Å
16Q97.8Very high96.9Very high61 Ų6168.3 Ų68.329%0.28534%0.335SS..Hα-helixtrans-56.8-50.8173.8-70.3-178.136.900110.6E12 A13 R18 D19 T22 T24E12-Q16 WeakPolarHBondContact O-CG 3.26Å; E12-Q16 PolarHBondContact O-N 2.98Å; A13-Q16 PolarHBondContact O-N 3.42Å; Q16-R18 PolarHBondContact O-N 2.94Å; Q16-D19 PolarHBondContact O-N 2.87Å; Q16-T22 PolarHBondContact O-OG1 3.48Å; Q16-T24 HydrophobicContact CB-CG2 4.2Å
17V98.1Very high96.9Very high0 Ų065 Ų650%032%0.317CS..Hα-helixtrans-61-34.4178.9179.90000112.6A13 Y14 N15 T24 A27 F61 R63 F76A13-V17 PolarHBondContact O-N 3.04Å; Y14-V17 PolarHBondContact O-N 2.77Å; N15-V17 PolarHBondContact O-N 2.77Å; V17-T24 HydrophobicContact CG2-CG2 3.82Å; V17-A27 HydrophobicContact CG2-CB 3.62Å; V17-F61 HydrophobicContact CB-CD1 3.68Å; V17-F61 HydrophobicContact CB-CE1 3.73Å; V17-F61 HydrophobicContact CG1-CD1 3.59Å; V17-F61 HydrophobicContact CG1-CE1 3.54Å; V17-F61 HydrophobicContact CG2-CD1 4.13Å; V17-R63 HydrophobicContact CG1-CB 3.84Å; V17-F76 HydrophobicContact CG1-CD1 4.19Å; V17-F76 HydrophobicContact CG1-CE1 4.16Å; V17-F76 WeakPolarHBondContact O-CE1 3.41Å
18R96.3Very high96.9Very high98 Ų9860.6 Ų60.637%0.3730%0.298SS..Hα-helixtrans-78.6-22.2-179.3-74.8-162.964.1-166.63.7114.3Y14 N15 Q16 D20 F61 F76 N107Y14-R18 HydrophobicContact CD2-CG 4.34Å; Y14-R18 VanDerWaalsContact CE2-CD 3.42Å; Y14-R18 HydrophobicContact CE2-CG 3.96Å; Y14-R18 PolarHBondContact O-N 3.39Å; Y14-R18 VanDerWaalsContact OH-CD 3.29Å; Y14-R18 WeakPolarHBondContact OH-CD 3.23Å; Y14-R18 PolarHBondContact OH-NH1 3.45Å; N15-R18 PolarHBondContact O-N 2.91Å; Q16-R18 PolarHBondContact O-N 2.94Å; R18-D20 PolarHBondContact O-N 3.02Å; R18-F61 HydrophobicContact CG-CE1 3.69Å; R18-F61 HydrophobicContact CG-CZ 3.83Å; R18-F76 HydrophobicContact CG-CE1 4.35Å; R18-N107 PolarHBondContact NH1-ND2 3.48Å
19D94.7Very high97Very high67 Ų6752.9 Ų52.936%0.35826%0.262SS..  trans-75.7111.3-178.4-172.5-3.1000109.4N15 Q16 N21 T22N15-D19 WeakPolarHBondContact O-CB 3.46Å; N15-D19 PolarHBondContact O-N 2.78Å; Q16-D19 PolarHBondContact O-N 2.87Å; D19-N21 PolarHBondContact O-N 3.5Å; D19-N21 VanDerWaalsContact O-N 3.09Å; D19-N21 VanDerWaalsContact OD1-CB 3.29Å; D19-N21 WeakPolarHBondContact OD1-CB 3.42Å; D19-N21 PolarHBondContact OD1-N 3.32Å; D19-N21 PolarHBondContact OD1-ND2 3.37Å; D19-T22 HydrophobicContact CB-CG2 3.94Å; D19-T22 PolarHBondContact O-N 3.25Å; D19-T22 PolarHBondContact O-OG1 3.05Å
20D91.6Very high96.9Very high112 Ų11255.1 Ų55.160%0.59927%0.266SS*.THydrogen-bonded Turntrans-62.4-13.8177.1-70.8-41.5000112.8R18 T22 R63R18-D20 PolarHBondContact O-N 3.02Å; D20-T22 VanDerWaalsContact C-N 3.33Å; D20-R63 IonicContact OD1-CZ 3.27Å; D20-R63 VanDerWaalsContact OD1-CZ 3.27Å; D20-R63 IonicContact OD1-NE 3.98Å; D20-R63 IonicContact OD1-NH1 3.77Å; D20-R63 IonicContact OD1-NH2 2.66Å; D20-R63 PolarHBondContact OD1-NH2 3.21Å
21N93.6Very high96.9Very high148 Ų14856.9 Ų56.979%0.79127%0.273SS*.THydrogen-bonded Turntrans-85.1-4.3174.7-54-66.5000113.5D19D19-N21 PolarHBondContact O-N 3.5Å; D19-N21 VanDerWaalsContact O-N 3.09Å; D19-N21 VanDerWaalsContact OD1-CB 3.29Å; D19-N21 WeakPolarHBondContact OD1-CB 3.42Å; D19-N21 PolarHBondContact OD1-N 3.32Å; D19-N21 PolarHBondContact OD1-ND2 3.37Å
22T92.1Very high96.8Very high41 Ų4156.3 Ų56.325%0.25228%0.276SS..SBendtrans-109.6153.9174.180.60000111Q16 D19 D20 T24Q16-T22 PolarHBondContact O-OG1 3.48Å; D19-T22 HydrophobicContact CB-CG2 3.94Å; D19-T22 PolarHBondContact O-N 3.25Å; D19-T22 PolarHBondContact O-OG1 3.05Å; D20-T22 VanDerWaalsContact C-N 3.33Å; T22-T24 PolarHBondContact OG1-N 2.9Å
23E93.4Very high96.6Very high169 Ų16954.2 Ų54.279%0.7929%0.287SS*.  trans-83-4.7173.9-61.5-173.7157.200112.4S25 T43E23-S25 PolarHBondContact O-N 3.2Å; E23-T43 HydrophobicContact CB-CG2 3.78Å; E23-T43 WeakPolarHBondContact O-CB 3.49Å; E23-T43 VanDerWaalsContact O-CG2 3.24Å; E23-T43 WeakPolarHBondContact O-CG2 3.29Å
24T97.6Very high96.4Very high19 Ų1955.8 Ų55.812%0.11730%0.298CS..  trans-61.6118.7-177.3-550000110Q16 V17 T22 V41 G42Q16-T24 HydrophobicContact CB-CG2 4.2Å; V17-T24 HydrophobicContact CG2-CG2 3.82Å; T22-T24 PolarHBondContact OG1-N 2.9Å; T24-V41 HydrophobicContact CG2-CB 3.91Å; T24-G42 CarbonylContact C-O 3.56Å
25S97.1Very high96.4Very high19 Ų1957.3 Ų57.313%0.13331%0.308CS..  trans-105.1-19.7-177.269.70000112.3E23 G42 T43 V62 R63E23-S25 PolarHBondContact O-N 3.2Å; S25-G42 PolarHBondContact N-O 3.28Å; S25-G42 PolarHBondContact OG-O 2.7Å; S25-T43 WeakPolarHBondContact CB-O 3.35Å; S25-T43 WeakPolarHBondContact OG-CA 3.11Å; S25-T43 PolarHBondContact OG-O 3.21Å; S25-V62 CarbonylContact O-C 3.53Å; S25-V62 WeakPolarHBondContact O-CA 3.4Å; S25-R63 PolarHBondContact O-N 2.72Å
26W98.7Very high96.4Very high13 Ų1353.5 Ų53.55%0.04929%0.288CS..EExtended strand (participates in β ladder)trans-145152.6177.562.9-95.6000113.3A28 G40 V41 G42 D44 D47 F48 L51 F61 V62W26-A28 HydrophobicContact CE3-CB 4.09Å; W26-A28 HydrophobicContact CZ3-CB 3.84Å; W26-G40 VanDerWaalsContact CZ3-C 3.47Å; W26-G40 WeakPolarHBondContact CZ3-O 3.29Å; W26-V41 VanDerWaalsContact O-CA 3.29Å; W26-V41 WeakPolarHBondContact O-CA 3.44Å; W26-G42 VanDerWaalsContact CE2-CA 3.43Å; W26-G42 PolarHBondContact N-O 2.65Å; W26-G42 PolarHBondContact O-N 3.01Å; W26-D44 PolarHBondContact NE1-O 3.4Å; W26-D47 HydrophobicContact CZ2-CB 3.66Å; W26-F48 HydrophobicContact CB-CB 4.39Å; W26-F48 HydrophobicContact CD2-CB 3.75Å; W26-F48 HydrophobicContact CD2-CD2 4.42Å; W26-F48 HydrophobicContact CE3-CB 4.17Å; W26-F48 HydrophobicContact CE3-CD2 4.09Å; W26-F48 HydrophobicContact CG-CB 3.83Å; W26-L51 HydrophobicContact CH2-CD1 3.85Å; W26-L51 HydrophobicContact CZ3-CD1 3.77Å; W26-F61 CarbonylContact C-O 3.54Å; W26-F61 VanDerWaalsContact CA-O 3.28Å; W26-F61 WeakPolarHBondContact CA-O 3.46Å; W26-V62 HydrophobicContact CB-CB 4.48Å; W26-V62 HydrophobicContact CB-CG1 4.29Å; W26-V62 HydrophobicContact CB-CG2 4.02Å
27A98.8Very high96.5Very high0 Ų051.4 Ų51.40%028%0.279CS..EExtended strand (participates in β ladder)trans-131132.7167.700000108.4A13 V17 F29 V41 G60 F61A13-A27 HydrophobicContact CB-CB 3.97Å; V17-A27 HydrophobicContact CG2-CB 3.62Å; A27-F29 HydrophobicContact CB-CE1 4.49Å; A27-F29 HydrophobicContact CB-CZ 4.04Å; A27-V41 HydrophobicContact CB-CG1 3.98Å; A27-G60 CarbonylContact O-C 3.54Å; A27-G60 WeakPolarHBondContact O-CA 3.3Å; A27-F61 PolarHBondContact N-O 3.28Å; A27-F61 PolarHBondContact O-N 2.94Å
28A98.8Very high96.5Very high0 Ų053.3 Ų53.30%029%0.291CS..EExtended strand (participates in β ladder)trans-110.9147.917800000110.7W26 P38 A39 G40 F48 L51 L58 F59W26-A28 HydrophobicContact CE3-CB 4.09Å; W26-A28 HydrophobicContact CZ3-CB 3.84Å; A28-P38 CarbonylContact O-C 3.5Å; A28-P38 WeakPolarHBondContact O-CA 3.33Å; A28-A39 HydrophobicContact CB-CB 3.91Å; A28-A39 PolarHBondContact O-N 2.86Å; A28-G40 PolarHBondContact N-O 3.22Å; A28-F48 HydrophobicContact CB-CD2 4.15Å; A28-F48 HydrophobicContact CB-CE2 4.21Å; A28-L51 HydrophobicContact CB-CD1 3.79Å; A28-L58 HydrophobicContact CB-CD1 4.26Å; A28-L58 HydrophobicContact CB-CD2 4.23Å; A28-L58 HydrophobicContact CB-CG 4.42Å; A28-F59 CarbonylContact C-O 3.54Å; A28-F59 VanDerWaalsContact CA-O 3.32Å; A28-F59 WeakPolarHBondContact CA-O 3.4Å
29F98.8Very high96.6Very high1 Ų150.3 Ų50.30%0.00429%0.288CS..EExtended strand (participates in β ladder)trans-131.1127.9179.1-42.2-78.6000109.4C10 A13 A27 I36 V37 L58 F59 F61 V101 V105C10-F29 HydrophobicContact CB-CD1 4.04Å; C10-F29 HydrophobicContact CB-CE1 3.87Å; A13-F29 HydrophobicContact CB-CE1 4.17Å; A27-F29 HydrophobicContact CB-CE1 4.49Å; A27-F29 HydrophobicContact CB-CZ 4.04Å; F29-I36 HydrophobicContact CB-CG2 3.83Å; F29-V37 CarbonylContact C-O 2.92Å; F29-V37 VanDerWaalsContact CA-O 3.29Å; F29-V37 WeakPolarHBondContact CA-O 3.39Å; F29-L58 WeakPolarHBondContact O-CD1 3.47Å; F29-F59 HydrophobicContact CB-CB 4.24Å; F29-F59 HydrophobicContact CD2-CB 4.04Å; F29-F59 PolarHBondContact N-O 3.01Å; F29-F59 PolarHBondContact O-N 3.1Å; F29-F61 HydrophobicContact CE2-CB 4.06Å; F29-V101 HydrophobicContact CD2-CG1 4.18Å; F29-V101 HydrophobicContact CE2-CG1 4.43Å; F29-V105 HydrophobicContact CE2-CG2 3.93Å; F29-V105 HydrophobicContact CZ-CG2 4.09Å
30K98.1Very high96.7Very high73 Ų7348.3 Ų48.332%0.31728%0.283SS..EExtended strand (participates in β ladder)trans-121.6168.2-177.466.1178.2-179.9166.90110.7E32 I36 V37 A39 L58K30-E32 WeakPolarHBondContact CE-OE1 3.38Å; K30-E32 IonicContact NZ-OE1 3.65Å; K30-E32 PolarHBondContact NZ-OE1 3.28Å; K30-I36 VanDerWaalsContact O-CA 3.3Å; K30-I36 WeakPolarHBondContact O-CA 3.27Å; K30-V37 HydrophobicContact CG-CG2 4.15Å; K30-V37 PolarHBondContact N-O 3Å; K30-V37 PolarHBondContact O-N 3.01Å; K30-A39 HydrophobicContact CB-CB 3.89Å; K30-A39 HydrophobicContact CD-CB 3.82Å; K30-A39 HydrophobicContact CG-CB 3.73Å; K30-L58 HydrophobicContact CB-CD1 3.93Å
31Y97.1Very high97Very high39 Ų3945.7 Ų45.715%0.15327%0.271CS..EExtended strand (participates in β ladder)trans-86.7126.4169-66.1-97.3000110.4T3 I36 P57 F59 D97T3-Y31 HydrophobicContact CG2-CD1 4.41Å; T3-Y31 HydrophobicContact CG2-CE1 3.88Å; Y31-I36 HydrophobicContact CD1-CG1 4.06Å; Y31-I36 HydrophobicContact CE1-CD1 4.24Å; Y31-I36 HydrophobicContact CE1-CG1 3.95Å; Y31-P57 HydrophobicContact CD2-CG 3.79Å; Y31-P57 HydrophobicContact CE2-CB 4.14Å; Y31-P57 HydrophobicContact CE2-CG 3.74Å; Y31-F59 AromaticContact CE2-CE2 3.67Å; Y31-F59 HydrophobicContact CE2-CE2 3.67Å; Y31-F59 HydrophobicContact CE2-CZ 4.28Å; Y31-F59 AromaticContact CZ-CE2 3.89Å; Y31-D97 HydrophobicContact CE1-CB 4.34Å; Y31-D97 VanDerWaalsContact CE1-OD2 3.27Å; Y31-D97 WeakPolarHBondContact CE1-OD2 3.26Å; Y31-D97 WeakPolarHBondContact OH-CB 3.43Å; Y31-D97 PolarHBondContact OH-OD2 3.03Å
32E96.6Very high97.3Very high107 Ų10739.2 Ų39.250%0.524%0.239SC..EExtended strand (participates in β ladder)trans-112.1102.4160.7-73.9-168.7174.600108.5K30 S34 T35 V37K30-E32 WeakPolarHBondContact CE-OE1 3.38Å; K30-E32 IonicContact NZ-OE1 3.65Å; K30-E32 PolarHBondContact NZ-OE1 3.28Å; E32-S34 PolarHBondContact O-N 3.12Å; E32-S34 VanDerWaalsContact O-N 3.16Å; E32-T35 PolarHBondContact N-O 2.71Å; E32-T35 PolarHBondContact O-N 3.25Å; E32-V37 HydrophobicContact CB-CG2 3.98Å; E32-V37 HydrophobicContact CG-CG2 3.56Å
33G94.3Very high97.5Very high79 Ų7941.1 Ų41.181%0.81425%0.25SS*.THydrogen-bonded Turntrans62.2-115.5-168.800000111.3
34S95.2Very high97.7Very high38 Ų3836.8 Ų36.827%0.26623%0.233SC..THydrogen-bonded Turntrans-103.512.8175.660.20000113.7T3 Q4 E32T3-S34 CarbonylContact C-O 3.58Å; T3-S34 VanDerWaalsContact CA-O 3.26Å; T3-S34 WeakPolarHBondContact CA-O 3.39Å; Q4-S34 PolarHBondContact N-O 2.99Å; E32-S34 PolarHBondContact O-N 3.12Å; E32-S34 VanDerWaalsContact O-N 3.16Å
35T97.8Very high97.7Very high39 Ų3936.4 Ų36.424%0.23923%0.229CC..EExtended strand (participates in β ladder)trans-116.6132.1-177.3-54.10000110.3Q4 E32 V37Q4-T35 HydrophobicContact CB-CG2 4.47Å; Q4-T35 CarbonylContact O-C 3.6Å; Q4-T35 WeakPolarHBondContact O-CA 3.37Å; E32-T35 PolarHBondContact N-O 2.71Å; E32-T35 PolarHBondContact O-N 3.25Å; T35-V37 HydrophobicContact CG2-CG1 3.93Å
36I98.6Very high97.7Very high0 Ų039.4 Ų39.40%024%0.241CC..EExtended strand (participates in β ladder)trans-82.7125.8170.6-62.2171.2000108.5T3 Q4 I5 D6 F29 K30 Y31 F59 D97 V101T3-I36 HydrophobicContact CG2-CD1 4.09Å; T3-I36 HydrophobicContact CG2-CG1 4.1Å; Q4-I36 PolarHBondContact O-N 3.21Å; I5-I36 WeakPolarHBondContact CA-O 3.08Å; I5-I36 HydrophobicContact CB-CB 4.17Å; I5-I36 HydrophobicContact CD1-CB 4.46Å; I5-I36 HydrophobicContact CD1-CG2 4.2Å; I5-I36 HydrophobicContact CG1-CB 4.02Å; I5-I36 HydrophobicContact CG1-CG2 4.16Å; D6-I36 PolarHBondContact N-O 3.23Å; F29-I36 HydrophobicContact CB-CG2 3.83Å; K30-I36 VanDerWaalsContact O-CA 3.3Å; K30-I36 WeakPolarHBondContact O-CA 3.27Å; Y31-I36 HydrophobicContact CD1-CG1 4.06Å; Y31-I36 HydrophobicContact CE1-CD1 4.24Å; Y31-I36 HydrophobicContact CE1-CG1 3.95Å; I36-F59 HydrophobicContact CD1-CE2 3.96Å; I36-D97 HydrophobicContact CD1-CB 4.23Å; I36-V101 HydrophobicContact CD1-CG2 3.9Å; I36-V101 HydrophobicContact CG2-CG2 4.25Å
37V98.8Very high97.6Very high18 Ų1842.1 Ų42.111%0.10926%0.257CS..EExtended strand (participates in β ladder)trans-135.7161.6-178.3-600000110.3D6 F29 K30 E32 T35 A39D6-V37 HydrophobicContact CB-CG1 4.14Å; F29-V37 CarbonylContact C-O 2.92Å; F29-V37 VanDerWaalsContact CA-O 3.29Å; F29-V37 WeakPolarHBondContact CA-O 3.39Å; K30-V37 HydrophobicContact CG-CG2 4.15Å; K30-V37 PolarHBondContact N-O 3Å; K30-V37 PolarHBondContact O-N 3.01Å; E32-V37 HydrophobicContact CB-CG2 3.98Å; E32-V37 HydrophobicContact CG-CG2 3.56Å; T35-V37 HydrophobicContact CG2-CG1 3.93Å; V37-A39 PolarHBondContact O-N 3.36Å
38P98.6Very high97.6Very high40 Ų4042.1 Ų42.126%0.2626%0.257SS..EExtended strand (participates in β ladder)trans-57.7132.9171.1-23.935.2000111.9A9 A13 A28A9-P38 VanDerWaalsContact C-CG 3.49Å; A9-P38 HydrophobicContact CB-CG 3.73Å; A9-P38 WeakPolarHBondContact O-CG 3.37Å; A13-P38 HydrophobicContact CB-CB 4.43Å; A13-P38 HydrophobicContact CB-CG 4.43Å; A28-P38 CarbonylContact O-C 3.5Å; A28-P38 WeakPolarHBondContact O-CA 3.33Å
39A98Very high97.5Very high35 Ų3544 Ų4429%0.28927%0.265SS..EExtended strand (participates in β ladder)trans-92.8-25.117100000111.8A28 K30 V37 L58A28-A39 HydrophobicContact CB-CB 3.91Å; A28-A39 PolarHBondContact O-N 2.86Å; K30-A39 HydrophobicContact CB-CB 3.89Å; K30-A39 HydrophobicContact CD-CB 3.82Å; K30-A39 HydrophobicContact CG-CB 3.73Å; V37-A39 PolarHBondContact O-N 3.36Å; A39-L58 HydrophobicContact CB-CD1 4.07Å
40G97.6Very high97.5Very high25 Ų2550.7 Ų50.726%0.25830%0.296SS..EExtended strand (participates in β ladder)trans162.1170.5-179.800000111.7W26 A28W26-G40 VanDerWaalsContact CZ3-C 3.47Å; W26-G40 WeakPolarHBondContact CZ3-O 3.29Å; A28-G40 PolarHBondContact N-O 3.22Å
41V98.5Very high97.5Very high57 Ų5750 Ų5035%0.34530%0.295SS..EExtended strand (participates in β ladder)trans-133.7153.6170.1-65.40000108A13 T24 W26 A27A13-V41 HydrophobicContact CB-CG1 3.71Å; T24-V41 HydrophobicContact CG2-CB 3.91Å; W26-V41 VanDerWaalsContact O-CA 3.29Å; W26-V41 WeakPolarHBondContact O-CA 3.44Å; A27-V41 HydrophobicContact CB-CG1 3.98Å
42G98.3Very high97.5Very high12 Ų1248.7 Ų48.712%0.12429%0.292CS..EExtended strand (participates in β ladder)trans-168.5176.2178.600000113.6T24 S25 W26T24-G42 CarbonylContact C-O 3.56Å; S25-G42 PolarHBondContact N-O 3.28Å; S25-G42 PolarHBondContact OG-O 2.7Å; W26-G42 VanDerWaalsContact CE2-CA 3.43Å; W26-G42 PolarHBondContact N-O 2.65Å; W26-G42 PolarHBondContact O-N 3.01Å
43T97.6Very high97.5Very high80 Ų8046 Ų4649%0.49128%0.283SS..SBendtrans-107.7-30.1-176.863.40000111.8E23 S25E23-T43 HydrophobicContact CB-CG2 3.78Å; E23-T43 WeakPolarHBondContact O-CB 3.49Å; E23-T43 VanDerWaalsContact O-CG2 3.24Å; E23-T43 WeakPolarHBondContact O-CG2 3.29Å; S25-T43 WeakPolarHBondContact CB-O 3.35Å; S25-T43 WeakPolarHBondContact OG-CA 3.11Å; S25-T43 PolarHBondContact OG-O 3.21Å
44D96.8Very high97.6Very high79 Ų7944.6 Ų44.642%0.42226%0.257SS..  trans-91.2119.2177.1-170.6-14.1000111.1W26 Q46 D47W26-D44 PolarHBondContact NE1-O 3.4Å; D44-Q46 PolarHBondContact O-N 3.39Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.39Å; D44-Q46 WeakPolarHBondContact OD1-CG 3.24Å; D44-Q46 PolarHBondContact OD1-N 3.38Å; D44-D47 WeakPolarHBondContact O-CB 3.49Å; D44-D47 PolarHBondContact O-N 3.02Å; D44-D47 VanDerWaalsContact O-N 3.14Å
45Y97.1Very high97.7Very high11 Ų1147.6 Ų47.64%0.04327%0.27CS..Hα-helixtrans-62.6-24.9178-176.6-116.4000113.2D47 F48 K49 V62 F64 L120 E122 L125Y45-D47 PolarHBondContact O-N 3.13Å; Y45-F48 HydrophobicContact CD2-CB 4.19Å; Y45-F48 AromaticContact CD2-CD1 4Å; Y45-F48 HydrophobicContact CD2-CD1 4Å; Y45-F48 HydrophobicContact CD2-CG 4.44Å; Y45-F48 HydrophobicContact CE2-CB 4.39Å; Y45-F48 AromaticContact CE2-CD1 3.34Å; Y45-F48 HydrophobicContact CE2-CD1 3.34Å; Y45-F48 AromaticContact CE2-CE1 3.99Å; Y45-F48 HydrophobicContact CE2-CE1 3.99Å; Y45-F48 HydrophobicContact CE2-CG 4.18Å; Y45-F48 AromaticContact CZ-CD1 4Å; Y45-F48 WeakPolarHBondContact O-CB 3.29Å; Y45-F48 PolarHBondContact O-N 2.98Å; Y45-K49 HydrophobicContact CD1-CD 4.32Å; Y45-K49 HydrophobicContact CD1-CG 4.16Å; Y45-K49 HydrophobicContact CE1-CD 3.8Å; Y45-K49 HydrophobicContact CE1-CG 3.72Å; Y45-K49 PolarHBondContact O-N 2.91Å; Y45-V62 HydrophobicContact CD2-CG1 3.8Å; Y45-V62 HydrophobicContact CE2-CG1 3.93Å; Y45-V62 HydrophobicContact CE2-CG2 4.2Å; Y45-F64 HydrophobicContact CD1-CE1 4.22Å; Y45-F64 HydrophobicContact CD1-CZ 4.4Å; Y45-F64 HydrophobicContact CD2-CE1 4.14Å; Y45-F64 AromaticContact CD2-CZ 3.99Å; Y45-F64 HydrophobicContact CD2-CZ 3.99Å; Y45-F64 HydrophobicContact CE1-CE1 4.35Å; Y45-F64 HydrophobicContact CE1-CZ 4.12Å; Y45-F64 HydrophobicContact CE2-CE1 4.27Å; Y45-F64 AromaticContact CE2-CZ 3.68Å; Y45-F64 HydrophobicContact CE2-CZ 3.68Å; Y45-F64 HydrophobicContact CG-CE1 4.13Å; Y45-F64 HydrophobicContact CG-CZ 4.35Å; Y45-F64 AromaticContact CZ-CZ 3.78Å; Y45-L120 VanDerWaalsContact CE1-O 3.26Å; Y45-L120 WeakPolarHBondContact CE1-O 3.13Å; Y45-L120 PolarHBondContact OH-O 2.87Å; Y45-E122 HydrophobicContact CD1-CB 4.15Å; Y45-E122 HydrophobicContact CE1-CB 4.2Å; Y45-L125 WeakPolarHBondContact OH-CD1 3.5Å
46Q97.1Very high97.5Very high82 Ų8248.3 Ų48.338%0.38327%0.272SS..Hα-helixtrans-62.1-34.7175.2-61.2-54.8-53.100112D44 F48 K49 Q50D44-Q46 PolarHBondContact O-N 3.39Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.39Å; D44-Q46 WeakPolarHBondContact OD1-CG 3.24Å; D44-Q46 PolarHBondContact OD1-N 3.38Å; Q46-F48 VanDerWaalsContact C-N 3.34Å; Q46-F48 PolarHBondContact O-N 3.1Å; Q46-K49 VanDerWaalsContact CD-CE 3.47Å; Q46-K49 PolarHBondContact O-N 3.3Å; Q46-Q50 WeakPolarHBondContact O-CG 3.49Å; Q46-Q50 PolarHBondContact O-N 3.3Å
47D97.8Very high97.4Very high70 Ų7048.7 Ų48.737%0.37427%0.274SS..Hα-helixtrans-64.1-41.7176.3-64.4-20.3000110.9W26 D44 Y45 K49 Q50 L51W26-D47 HydrophobicContact CZ2-CB 3.66Å; D44-D47 WeakPolarHBondContact O-CB 3.49Å; D44-D47 PolarHBondContact O-N 3.02Å; D44-D47 VanDerWaalsContact O-N 3.14Å; Y45-D47 PolarHBondContact O-N 3.13Å; D47-K49 PolarHBondContact O-N 3.25Å; D47-Q50 PolarHBondContact O-N 3.06Å; D47-L51 PolarHBondContact O-N 2.8Å
48F98.3Very high97.4Very high0 Ų048 Ų480%027%0.27CS..Hα-helixtrans-60.6-44.7172.9173.6-99.3000111.7W26 A28 Y45 Q46 Q50 L51 L58 G60 V62 I79 L120W26-F48 HydrophobicContact CB-CB 4.39Å; W26-F48 HydrophobicContact CD2-CB 3.75Å; W26-F48 HydrophobicContact CD2-CD2 4.42Å; W26-F48 HydrophobicContact CE3-CB 4.17Å; W26-F48 HydrophobicContact CE3-CD2 4.09Å; W26-F48 HydrophobicContact CG-CB 3.83Å; A28-F48 HydrophobicContact CB-CD2 4.15Å; A28-F48 HydrophobicContact CB-CE2 4.21Å; Y45-F48 HydrophobicContact CD2-CB 4.19Å; Y45-F48 AromaticContact CD2-CD1 4Å; Y45-F48 HydrophobicContact CD2-CD1 4Å; Y45-F48 HydrophobicContact CD2-CG 4.44Å; Y45-F48 HydrophobicContact CE2-CB 4.39Å; Y45-F48 AromaticContact CE2-CD1 3.34Å; Y45-F48 HydrophobicContact CE2-CD1 3.34Å; Y45-F48 AromaticContact CE2-CE1 3.99Å; Y45-F48 HydrophobicContact CE2-CE1 3.99Å; Y45-F48 HydrophobicContact CE2-CG 4.18Å; Y45-F48 AromaticContact CZ-CD1 4Å; Y45-F48 WeakPolarHBondContact O-CB 3.29Å; Y45-F48 PolarHBondContact O-N 2.98Å; Q46-F48 VanDerWaalsContact C-N 3.34Å; Q46-F48 PolarHBondContact O-N 3.1Å; F48-Q50 VanDerWaalsContact C-N 3.26Å; F48-Q50 PolarHBondContact O-N 3.39Å; F48-L51 WeakPolarHBondContact O-CB 3.41Å; F48-L51 PolarHBondContact O-N 3.06Å; F48-L58 HydrophobicContact CE2-CD2 3.93Å; F48-L58 HydrophobicContact CZ-CD2 4.5Å; F48-G60 VanDerWaalsContact CE2-CA 3.47Å; F48-V62 HydrophobicContact CD1-CG2 4.44Å; F48-V62 HydrophobicContact CE1-CG2 4.37Å; F48-I79 HydrophobicContact CE1-CD1 4.01Å; F48-I79 HydrophobicContact CE1-CG2 4.47Å; F48-I79 HydrophobicContact CZ-CB 4.36Å; F48-I79 HydrophobicContact CZ-CD1 4.47Å; F48-I79 HydrophobicContact CZ-CG2 4.31Å; F48-L120 HydrophobicContact CE1-CD2 4.32Å
49K97.6Very high97.4Very high39 Ų3946.1 Ų46.117%0.1726%0.258CS..Hα-helixtrans-59.9-36.4177.5-68.1-158.7-58.5177.80112.1Y45 Q46 D47 L51 C52 L120 E121Y45-K49 HydrophobicContact CD1-CD 4.32Å; Y45-K49 HydrophobicContact CD1-CG 4.16Å; Y45-K49 HydrophobicContact CE1-CD 3.8Å; Y45-K49 HydrophobicContact CE1-CG 3.72Å; Y45-K49 PolarHBondContact O-N 2.91Å; Q46-K49 VanDerWaalsContact CD-CE 3.47Å; Q46-K49 PolarHBondContact O-N 3.3Å; D47-K49 PolarHBondContact O-N 3.25Å; K49-L51 VanDerWaalsContact C-N 3.25Å; K49-L51 PolarHBondContact O-N 2.89Å; K49-C52 WeakPolarHBondContact O-CB 3.25Å; K49-C52 PolarHBondContact O-N 3.14Å; K49-C52 VanDerWaalsContact O-N 3.1Å; K49-L120 HydrophobicContact CD-CB 4.18Å; K49-L120 HydrophobicContact CG-CB 4.43Å; K49-E121 IonicContact NZ-OE1 2.94Å; K49-E121 PolarHBondContact NZ-OE1 2.74Å; K49-E121 IonicContact NZ-OE2 2.73Å; K49-E121 PolarHBondContact NZ-OE2 2.64Å
50Q97.1Very high97.4Very high141 Ų14144.4 Ų44.466%0.65924%0.244SC*.Hα-helixtrans-66.5-25.8177.1-69.9173.82800113.2Q46 D47 F48 C52Q46-Q50 WeakPolarHBondContact O-CG 3.49Å; Q46-Q50 PolarHBondContact O-N 3.3Å; D47-Q50 PolarHBondContact O-N 3.06Å; F48-Q50 VanDerWaalsContact C-N 3.26Å; F48-Q50 PolarHBondContact O-N 3.39Å; Q50-C52 VanDerWaalsContact C-N 3.28Å
51L97.8Very high97.5Very high58 Ų5843.2 Ų43.230%0.30423%0.231SC..Hα-helixtrans-72.6-21.2173.1-60.5176.3000112.5W26 A28 D47 F48 K49 T53 I56 L58W26-L51 HydrophobicContact CH2-CD1 3.85Å; W26-L51 HydrophobicContact CZ3-CD1 3.77Å; A28-L51 HydrophobicContact CB-CD1 3.79Å; D47-L51 PolarHBondContact O-N 2.8Å; F48-L51 WeakPolarHBondContact O-CB 3.41Å; F48-L51 PolarHBondContact O-N 3.06Å; K49-L51 VanDerWaalsContact C-N 3.25Å; K49-L51 PolarHBondContact O-N 2.89Å; L51-T53 VanDerWaalsContact C-N 3.3Å; L51-T53 PolarHBondContact O-N 2.81Å; L51-I56 VanDerWaalsContact O-CD1 3.23Å; L51-I56 WeakPolarHBondContact O-CD1 3.42Å; L51-L58 HydrophobicContact CB-CD2 3.68Å
52C97.7Very high97.5Very high12 Ų1240.6 Ų40.68%0.08122%0.215CC..  trans-80.769.9-178.4-660000111.9K49 Q50 W81 L120K49-C52 WeakPolarHBondContact O-CB 3.25Å; K49-C52 PolarHBondContact O-N 3.14Å; K49-C52 VanDerWaalsContact O-N 3.1Å; Q50-C52 VanDerWaalsContact C-N 3.28Å; C52-W81 VanDerWaalsContact C-NE1 3.28Å; C52-W81 HydrophobicContact CB-CB 4.43Å; C52-W81 HydrophobicContact CB-CD2 3.65Å; C52-W81 HydrophobicContact CB-CE3 4.21Å; C52-W81 HydrophobicContact CB-CG 3.73Å; C52-W81 HydrophobicContact CB-CZ2 4.35Å; C52-W81 WeakPolarHBondContact O-CZ2 3.32Å; C52-L120 HydrophobicContact CB-CD1 3.54Å
53T96.9Very high97.4Very high52 Ų5242.6 Ų42.632%0.31922%0.219SC..  trans-88.3157.4179.567.40000112.8L51 D55 I56 W81L51-T53 VanDerWaalsContact C-N 3.3Å; L51-T53 PolarHBondContact O-N 2.81Å; T53-D55 WeakPolarHBondContact CB-OD1 3.39Å; T53-D55 PolarHBondContact O-N 2.85Å; T53-D55 VanDerWaalsContact O-N 3.12Å; T53-D55 PolarHBondContact OG1-OD1 2.77Å; T53-I56 PolarHBondContact O-N 2.9Å; T53-W81 PolarHBondContact O-NE1 2.75Å
54D97.1Very high97.2Very high48 Ų4839 Ų3926%0.25720%0.197SC..THydrogen-bonded Turntrans-59.2-26.2-175.8-65.9-12.3000114.3G83 E84 R85D54-G83 CarbonylContact O-C 3.47Å; D54-G83 VanDerWaalsContact O-CA 3.23Å; D54-G83 WeakPolarHBondContact O-CA 3.44Å; D54-E84 PolarHBondContact O-N 2.88Å; D54-R85 HydrophobicContact CB-CB 4.46Å; D54-R85 HydrophobicContact CB-CG 4.06Å; D54-R85 WeakPolarHBondContact O-CA 3.48Å; D54-R85 WeakPolarHBondContact O-CB 3.43Å; D54-R85 PolarHBondContact O-N 3.4Å; D54-R85 IonicContact OD2-CZ 3.58Å; D54-R85 IonicContact OD2-NE 3.76Å; D54-R85 IonicContact OD2-NH2 3.23Å; D54-R85 PolarHBondContact OD2-NH2 3.02Å
55D95.8Very high96.7Very high102 Ų10239.5 Ų39.555%0.54520%0.203SC..THydrogen-bonded Turntrans-90.8-9.5-170.657.7-56.9000114.1T53T53-D55 WeakPolarHBondContact CB-OD1 3.39Å; T53-D55 PolarHBondContact O-N 2.85Å; T53-D55 VanDerWaalsContact O-N 3.12Å; T53-D55 PolarHBondContact OG1-OD1 2.77Å
56I94.4Very high95.9Very high53 Ų5339.3 Ų39.327%0.27220%0.203SC..  trans-124146.9-173.575.8174.2000113.2L51 T53 L58 W81 G83L51-I56 VanDerWaalsContact O-CD1 3.23Å; L51-I56 WeakPolarHBondContact O-CD1 3.42Å; T53-I56 PolarHBondContact O-N 2.9Å; I56-L58 HydrophobicContact CD1-CB 4.46Å; I56-L58 HydrophobicContact CD1-CD1 4.46Å; I56-W81 PolarHBondContact O-NE1 2.94Å; I56-G83 PolarHBondContact O-N 3.14Å
57P96.6Very high94.6Very high8 Ų837.3 Ų37.35%0.05220%0.204CC..EExtended strand (participates in β ladder)trans-86.2141154.933.6-28.8000110.6Y31 W81 V86 Q90 I94Y31-P57 HydrophobicContact CD2-CG 3.79Å; Y31-P57 HydrophobicContact CE2-CB 4.14Å; Y31-P57 HydrophobicContact CE2-CG 3.74Å; P57-W81 WeakPolarHBondContact CA-O 3.28Å; P57-V86 HydrophobicContact CG-CG1 4.4Å; P57-Q90 HydrophobicContact CG-CG 4.06Å; P57-I94 HydrophobicContact CB-CD1 3.53Å; P57-I94 HydrophobicContact CB-CG1 4.16Å; P57-I94 HydrophobicContact CG-CD1 4.36Å
58L98Very high93.3Very high3 Ų337.3 Ų37.32%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-142.6143.8-178.8-171.779.2000109.7A28 F29 K30 A39 F48 L51 I56 W81A28-L58 HydrophobicContact CB-CD1 4.26Å; A28-L58 HydrophobicContact CB-CD2 4.23Å; A28-L58 HydrophobicContact CB-CG 4.42Å; F29-L58 WeakPolarHBondContact O-CD1 3.47Å; K30-L58 HydrophobicContact CB-CD1 3.93Å; A39-L58 HydrophobicContact CB-CD1 4.07Å; F48-L58 HydrophobicContact CE2-CD2 3.93Å; F48-L58 HydrophobicContact CZ-CD2 4.5Å; L51-L58 HydrophobicContact CB-CD2 3.68Å; I56-L58 HydrophobicContact CD1-CB 4.46Å; I56-L58 HydrophobicContact CD1-CD1 4.46Å; L58-W81 HydrophobicContact CB-CB 4.2Å; L58-W81 PolarHBondContact N-O 3.42Å; L58-W81 PolarHBondContact O-N 3.41Å
59F98.7Very high91.6Very high1 Ų142.3 Ų42.30%0.00425%0.246CC..EExtended strand (participates in β ladder)trans-107.9138168.5-52.4-85000109.4A28 F29 Y31 I36 I79 T80 I94 K98 V101A28-F59 CarbonylContact C-O 3.54Å; A28-F59 VanDerWaalsContact CA-O 3.32Å; A28-F59 WeakPolarHBondContact CA-O 3.4Å; F29-F59 HydrophobicContact CB-CB 4.24Å; F29-F59 HydrophobicContact CD2-CB 4.04Å; F29-F59 PolarHBondContact N-O 3.01Å; F29-F59 PolarHBondContact O-N 3.1Å; Y31-F59 AromaticContact CE2-CE2 3.67Å; Y31-F59 HydrophobicContact CE2-CE2 3.67Å; Y31-F59 HydrophobicContact CE2-CZ 4.28Å; Y31-F59 AromaticContact CZ-CE2 3.89Å; I36-F59 HydrophobicContact CD1-CE2 3.96Å; F59-I79 CarbonylContact C-O 3.5Å; F59-I79 WeakPolarHBondContact CA-O 3.39Å; F59-T80 HydrophobicContact CD1-CG2 3.86Å; F59-T80 HydrophobicContact CE1-CG2 3.65Å; F59-I94 HydrophobicContact CE1-CG2 4.07Å; F59-I94 HydrophobicContact CZ-CG2 4.17Å; F59-K98 HydrophobicContact CD1-CG 4.41Å; F59-K98 HydrophobicContact CE1-CB 3.81Å; F59-K98 HydrophobicContact CE1-CG 4.07Å; F59-K98 HydrophobicContact CZ-CB 4.44Å; F59-V101 HydrophobicContact CB-CG1 4.32Å; F59-V101 HydrophobicContact CB-CG2 4.39Å; F59-V101 HydrophobicContact CD1-CG2 4.23Å; F59-V101 HydrophobicContact CD2-CG2 3.75Å; F59-V101 HydrophobicContact CE1-CG2 4.46Å; F59-V101 HydrophobicContact CE2-CG2 4.01Å; F59-V101 HydrophobicContact CG-CG2 3.87Å; F59-V101 HydrophobicContact CZ-CG2 4.35Å
60G98.6Very high90.2Very high0 Ų049.3 Ų49.30%028%0.281CS..EExtended strand (participates in β ladder)trans-126.5130.6177.700000111.2A27 F48 L78 I79A27-G60 CarbonylContact O-C 3.54Å; A27-G60 WeakPolarHBondContact O-CA 3.3Å; F48-G60 VanDerWaalsContact CE2-CA 3.47Å; G60-L78 CarbonylContact O-C 3.56Å; G60-L78 WeakPolarHBondContact O-CA 3.45Å; G60-I79 PolarHBondContact N-O 3.44Å; G60-I79 PolarHBondContact O-N 3.38Å
61F98.8Very high88.8Confident0 Ų044.6 Ų44.60%026%0.264CS..EExtended strand (participates in β ladder)trans-105115.9165.7178.8-111.8000108.5Y14 V17 R18 W26 A27 F29 F76 T77 V105 N107 F108Y14-F61 AromaticContact CD2-CD1 3.63Å; Y14-F61 HydrophobicContact CD2-CD1 3.63Å; Y14-F61 HydrophobicContact CD2-CD2 4.37Å; Y14-F61 AromaticContact CD2-CE1 3.5Å; Y14-F61 HydrophobicContact CD2-CE1 3.5Å; Y14-F61 HydrophobicContact CD2-CE2 4.22Å; Y14-F61 HydrophobicContact CD2-CG 4.07Å; Y14-F61 AromaticContact CD2-CZ 3.8Å; Y14-F61 HydrophobicContact CD2-CZ 3.8Å; Y14-F61 HydrophobicContact CE2-CD1 4.22Å; Y14-F61 HydrophobicContact CE2-CD2 4.42Å; Y14-F61 AromaticContact CE2-CE1 3.7Å; Y14-F61 HydrophobicContact CE2-CE1 3.7Å; Y14-F61 AromaticContact CE2-CE2 3.89Å; Y14-F61 HydrophobicContact CE2-CE2 3.89Å; Y14-F61 AromaticContact CE2-CZ 3.5Å; Y14-F61 HydrophobicContact CE2-CZ 3.5Å; V17-F61 HydrophobicContact CB-CD1 3.68Å; V17-F61 HydrophobicContact CB-CE1 3.73Å; V17-F61 HydrophobicContact CG1-CD1 3.59Å; V17-F61 HydrophobicContact CG1-CE1 3.54Å; V17-F61 HydrophobicContact CG2-CD1 4.13Å; R18-F61 HydrophobicContact CG-CE1 3.69Å; R18-F61 HydrophobicContact CG-CZ 3.83Å; W26-F61 CarbonylContact C-O 3.54Å; W26-F61 VanDerWaalsContact CA-O 3.28Å; W26-F61 WeakPolarHBondContact CA-O 3.46Å; A27-F61 PolarHBondContact N-O 3.28Å; A27-F61 PolarHBondContact O-N 2.94Å; F29-F61 HydrophobicContact CE2-CB 4.06Å; F61-F76 AromaticContact CE1-CD1 3.8Å; F61-F76 HydrophobicContact CE1-CD1 3.8Å; F61-F76 HydrophobicContact CE1-CE1 4.42Å; F61-F76 HydrophobicContact CE1-CG 4.49Å; F61-F76 HydrophobicContact CE2-CB 3.57Å; F61-F76 HydrophobicContact CE2-CD1 4.25Å; F61-F76 HydrophobicContact CE2-CG 4.23Å; F61-F76 HydrophobicContact CZ-CB 3.58Å; F61-F76 AromaticContact CZ-CD1 3.44Å; F61-F76 HydrophobicContact CZ-CD1 3.44Å; F61-F76 VanDerWaalsContact CZ-CD1 3.44Å; F61-F76 HydrophobicContact CZ-CE1 4.34Å; F61-F76 AromaticContact CZ-CG 3.7Å; F61-F76 HydrophobicContact CZ-CG 3.7Å; F61-T77 WeakPolarHBondContact CA-O 3.48Å; F61-V105 HydrophobicContact CB-CG1 4.21Å; F61-V105 HydrophobicContact CB-CG2 4.46Å; F61-V105 HydrophobicContact CD2-CG1 3.27Å; F61-V105 HydrophobicContact CE2-CG1 3.72Å; F61-V105 HydrophobicContact CG-CG1 3.86Å; F61-N107 WeakPolarHBondContact CE2-O 3.34Å; F61-F108 HydrophobicContact CE2-CB 4.15Å
62V98.5Very high87.9Confident1 Ų149.6 Ų49.61%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-127.7135.6-168.1-171.90000110.8S25 W26 Y45 F48 F64 F76 T77 I79S25-V62 CarbonylContact O-C 3.53Å; S25-V62 WeakPolarHBondContact O-CA 3.4Å; W26-V62 HydrophobicContact CB-CB 4.48Å; W26-V62 HydrophobicContact CB-CG1 4.29Å; W26-V62 HydrophobicContact CB-CG2 4.02Å; Y45-V62 HydrophobicContact CD2-CG1 3.8Å; Y45-V62 HydrophobicContact CE2-CG1 3.93Å; Y45-V62 HydrophobicContact CE2-CG2 4.2Å; F48-V62 HydrophobicContact CD1-CG2 4.44Å; F48-V62 HydrophobicContact CE1-CG2 4.37Å; V62-F64 HydrophobicContact CB-CE2 4.07Å; V62-F64 HydrophobicContact CB-CZ 4.43Å; V62-F64 HydrophobicContact CG1-CD2 4.1Å; V62-F64 HydrophobicContact CG1-CE1 4.03Å; V62-F64 HydrophobicContact CG1-CE2 3.61Å; V62-F64 HydrophobicContact CG1-CZ 3.58Å; V62-F76 CarbonylContact O-C 3.51Å; V62-F76 VanDerWaalsContact O-CA 3.3Å; V62-F76 WeakPolarHBondContact O-CA 3.27Å; V62-T77 HydrophobicContact CB-CG2 3.98Å; V62-T77 PolarHBondContact N-O 3.19Å; V62-T77 PolarHBondContact O-N 3.43Å; V62-I79 HydrophobicContact CG2-CD1 3.97Å
63R96.9Very high87.3Confident54 Ų5457.2 Ų57.220%0.20431%0.31CS..EExtended strand (participates in β ladder)trans-98.2116.4173.2-177.4-177.2-177.1-169.6-0.1108.9V17 D20 S25 A74 K75 F76V17-R63 HydrophobicContact CG1-CB 3.84Å; D20-R63 IonicContact OD1-CZ 3.27Å; D20-R63 VanDerWaalsContact OD1-CZ 3.27Å; D20-R63 IonicContact OD1-NE 3.98Å; D20-R63 IonicContact OD1-NH1 3.77Å; D20-R63 IonicContact OD1-NH2 2.66Å; D20-R63 PolarHBondContact OD1-NH2 3.21Å; S25-R63 PolarHBondContact O-N 2.72Å; R63-A74 HydrophobicContact CG-CB 4.12Å; R63-K75 WeakPolarHBondContact CA-O 3.43Å; R63-F76 HydrophobicContact CB-CD1 3.79Å; R63-F76 HydrophobicContact CB-CE1 3.66Å; R63-F76 HydrophobicContact CG-CD1 4.05Å; R63-F76 HydrophobicContact CG-CE1 3.56Å; R63-F76 HydrophobicContact CG-CZ 4.07Å
64F93.5Very high87Confident4 Ų456.5 Ų56.52%0.01831%0.31CS..EExtended strand (participates in β ladder)trans-108141.5169.3-69-68.1000110.3Y45 V62 T66 A74 K75 T77 E122 L125 L129Y45-F64 HydrophobicContact CD1-CE1 4.22Å; Y45-F64 HydrophobicContact CD1-CZ 4.4Å; Y45-F64 HydrophobicContact CD2-CE1 4.14Å; Y45-F64 AromaticContact CD2-CZ 3.99Å; Y45-F64 HydrophobicContact CD2-CZ 3.99Å; Y45-F64 HydrophobicContact CE1-CE1 4.35Å; Y45-F64 HydrophobicContact CE1-CZ 4.12Å; Y45-F64 HydrophobicContact CE2-CE1 4.27Å; Y45-F64 AromaticContact CE2-CZ 3.68Å; Y45-F64 HydrophobicContact CE2-CZ 3.68Å; Y45-F64 HydrophobicContact CG-CE1 4.13Å; Y45-F64 HydrophobicContact CG-CZ 4.35Å; Y45-F64 AromaticContact CZ-CZ 3.78Å; V62-F64 HydrophobicContact CB-CE2 4.07Å; V62-F64 HydrophobicContact CB-CZ 4.43Å; V62-F64 HydrophobicContact CG1-CD2 4.1Å; V62-F64 HydrophobicContact CG1-CE1 4.03Å; V62-F64 HydrophobicContact CG1-CE2 3.61Å; V62-F64 HydrophobicContact CG1-CZ 3.58Å; F64-T66 HydrophobicContact CB-CG2 4.25Å; F64-A74 CarbonylContact O-C 3.55Å; F64-A74 WeakPolarHBondContact O-CA 3.47Å; F64-K75 PolarHBondContact N-O 3.17Å; F64-K75 PolarHBondContact O-N 2.98Å; F64-T77 HydrophobicContact CD2-CG2 3.89Å; F64-T77 HydrophobicContact CE2-CG2 3.69Å; F64-E122 HydrophobicContact CD1-CG 3.8Å; F64-E122 HydrophobicContact CE1-CB 4.15Å; F64-E122 HydrophobicContact CE1-CG 3.54Å; F64-E122 HydrophobicContact CZ-CG 4.47Å; F64-L125 HydrophobicContact CE2-CB 4.06Å; F64-L125 HydrophobicContact CE2-CD1 3.91Å; F64-L125 HydrophobicContact CZ-CB 4.34Å; F64-L125 HydrophobicContact CZ-CD1 3.8Å; F64-L129 HydrophobicContact CB-CD1 4.27Å; F64-L129 HydrophobicContact CD2-CD1 3.66Å; F64-L129 HydrophobicContact CE2-CD1 4.49Å; F64-L129 HydrophobicContact CG-CD1 4.36Å
65T86.9Confident86.7Confident90 Ų9056.1 Ų56.155%0.55231%0.306SS*.EExtended strand (participates in β ladder)trans-90.1111.7169.5-60.80000108.5K72T65-K72 HydrophobicContact CG2-CB 3.94Å; T65-K72 HydrophobicContact CG2-CD 4.39Å; T65-K72 HydrophobicContact CG2-CG 4.4Å
66T78.9Confident86.7Confident8 Ų853 Ų535%0.04929%0.288CS..EExtended strand (participates in β ladder)trans-116.3145179.867.50000110.3F64 R73 K75 C126 L129F64-T66 HydrophobicContact CB-CG2 4.25Å; T66-R73 PolarHBondContact N-O 2.82Å; T66-R73 PolarHBondContact O-N 3.4Å; T66-R73 VanDerWaalsContact O-O 3.04Å; T66-K75 HydrophobicContact CG2-CB 4.47Å; T66-K75 HydrophobicContact CG2-CD 4.3Å; T66-K75 VanDerWaalsContact OG1-CD 3.22Å; T66-K75 WeakPolarHBondContact OG1-CD 3.26Å; T66-K75 WeakPolarHBondContact OG1-CE 3.14Å; T66-K75 WeakPolarHBondContact OG1-CG 3.24Å; T66-C126 HydrophobicContact CG2-CB 4.36Å; T66-L129 HydrophobicContact CG2-CB 4.49Å
67G71.4Confident86.9Confident40 Ų4050.5 Ų50.541%0.41228%0.275SS..  trans147.5-179.6178.200000113.5S71G67-S71 VanDerWaalsContact CA-O 3.26Å; G67-S71 WeakPolarHBondContact CA-O 3.2Å
68D68.8Low87Confident69 Ų6950.1 Ų50.137%0.36927%0.272SS..  trans-101.9-174171.460.833.9000110.9M70 S71D68-M70 PolarHBondContact O-N 2.78Å; D68-M70 VanDerWaalsContact O-N 3.15Å; D68-M70 WeakPolarHBondContact OD1-CA 3.35Å; D68-M70 WeakPolarHBondContact OD1-CB 3.46Å; D68-M70 PolarHBondContact OD1-N 2.78Å; D68-S71 PolarHBondContact O-N 2.81Å; D68-S71 PolarHBondContact OD1-N 3.32Å
69A63.8Low87Confident106 Ų10650 Ų5088%0.87627%0.271SS*.THydrogen-bonded Turntrans-59.7-22.4-179.600000114.1
70M66.9Low87Confident186 Ų18650 Ų5092%0.91627%0.271SS*.THydrogen-bonded Turntrans-99.3-19.4-176.2-66.8-87.5-170.900112.5D68D68-M70 PolarHBondContact O-N 2.78Å; D68-M70 VanDerWaalsContact O-N 3.15Å; D68-M70 WeakPolarHBondContact OD1-CA 3.35Å; D68-M70 WeakPolarHBondContact OD1-CB 3.46Å; D68-M70 PolarHBondContact OD1-N 2.78Å
71S68.6Low87Confident42 Ų4250 Ų5029%0.29427%0.271SS..  trans-150.278.1-178.8177.30000113.6G67 D68 R73G67-S71 VanDerWaalsContact CA-O 3.26Å; G67-S71 WeakPolarHBondContact CA-O 3.2Å; D68-S71 PolarHBondContact O-N 2.81Å; D68-S71 PolarHBondContact OD1-N 3.32Å; S71-R73 PolarHBondContact OG-NE 2.96Å; S71-R73 VanDerWaalsContact OG-NE 3.14Å
72K79.8Confident86.9Confident162 Ų16250.7 Ų50.770%0.70428%0.275SS*.  trans-74.6124.1164-65.6-176.5-178.1-178.90109.9T65T65-K72 HydrophobicContact CG2-CB 3.94Å; T65-K72 HydrophobicContact CG2-CD 4.39Å; T65-K72 HydrophobicContact CG2-CG 4.4Å
73R84Confident86.9Confident172 Ų17250.7 Ų50.765%0.64928%0.275SS*.EExtended strand (participates in β ladder)trans-132.9136.6175.8-64.7-176.8-171.7169.92.3110.4T66 S71 K75T66-R73 PolarHBondContact N-O 2.82Å; T66-R73 PolarHBondContact O-N 3.4Å; T66-R73 VanDerWaalsContact O-O 3.04Å; S71-R73 PolarHBondContact OG-NE 2.96Å; S71-R73 VanDerWaalsContact OG-NE 3.14Å; R73-K75 PolarHBondContact O-N 3.43Å
74A89.9Confident86.8Confident38 Ų3854 Ų5431%0.31429%0.293SS..EExtended strand (participates in β ladder)trans-64132168.800000109.6R63 F64 F76R63-A74 HydrophobicContact CG-CB 4.12Å; F64-A74 CarbonylContact O-C 3.55Å; F64-A74 WeakPolarHBondContact O-CA 3.47Å; A74-F76 HydrophobicContact CB-CE2 4.3Å; A74-F76 HydrophobicContact CB-CZ 4.33Å
75K92.5Very high87Confident40 Ų4062.8 Ų62.817%0.17433%0.326CS..EExtended strand (participates in β ladder)trans-122.6137.9167-73.2-170.7-178.2170.70108.3R63 F64 T66 R73 L129R63-K75 WeakPolarHBondContact CA-O 3.43Å; F64-K75 PolarHBondContact N-O 3.17Å; F64-K75 PolarHBondContact O-N 2.98Å; T66-K75 HydrophobicContact CG2-CB 4.47Å; T66-K75 HydrophobicContact CG2-CD 4.3Å; T66-K75 VanDerWaalsContact OG1-CD 3.22Å; T66-K75 WeakPolarHBondContact OG1-CD 3.26Å; T66-K75 WeakPolarHBondContact OG1-CE 3.14Å; T66-K75 WeakPolarHBondContact OG1-CG 3.24Å; R73-K75 PolarHBondContact O-N 3.43Å; K75-L129 HydrophobicContact CB-CD1 4.44Å; K75-L129 HydrophobicContact CD-CB 4.05Å; K75-L129 PolarHBondContact NZ-O 2.85Å
76F96Very high87.4Confident36 Ų3658.8 Ų58.816%0.15830%0.302CS..EExtended strand (participates in β ladder)trans-105.8143.2179.2-58.5-85.8000109.7V17 R18 F61 V62 R63 A74 F108 A109V17-F76 HydrophobicContact CG1-CD1 4.19Å; V17-F76 HydrophobicContact CG1-CE1 4.16Å; V17-F76 WeakPolarHBondContact O-CE1 3.41Å; R18-F76 HydrophobicContact CG-CE1 4.35Å; F61-F76 AromaticContact CE1-CD1 3.8Å; F61-F76 HydrophobicContact CE1-CD1 3.8Å; F61-F76 HydrophobicContact CE1-CE1 4.42Å; F61-F76 HydrophobicContact CE1-CG 4.49Å; F61-F76 HydrophobicContact CE2-CB 3.57Å; F61-F76 HydrophobicContact CE2-CD1 4.25Å; F61-F76 HydrophobicContact CE2-CG 4.23Å; F61-F76 HydrophobicContact CZ-CB 3.58Å; F61-F76 AromaticContact CZ-CD1 3.44Å; F61-F76 HydrophobicContact CZ-CD1 3.44Å; F61-F76 VanDerWaalsContact CZ-CD1 3.44Å; F61-F76 HydrophobicContact CZ-CE1 4.34Å; F61-F76 AromaticContact CZ-CG 3.7Å; F61-F76 HydrophobicContact CZ-CG 3.7Å; V62-F76 CarbonylContact O-C 3.51Å; V62-F76 VanDerWaalsContact O-CA 3.3Å; V62-F76 WeakPolarHBondContact O-CA 3.27Å; R63-F76 HydrophobicContact CB-CD1 3.79Å; R63-F76 HydrophobicContact CB-CE1 3.66Å; R63-F76 HydrophobicContact CG-CD1 4.05Å; R63-F76 HydrophobicContact CG-CE1 3.56Å; R63-F76 HydrophobicContact CG-CZ 4.07Å; A74-F76 HydrophobicContact CB-CE2 4.3Å; A74-F76 HydrophobicContact CB-CZ 4.33Å; F76-F108 HydrophobicContact CB-CB 4.36Å; F76-F108 CarbonylContact O-C 3.57Å; F76-A109 PolarHBondContact O-N 3.18Å
77T97.4Very high88.2Confident0 Ų060.5 Ų60.50%032%0.32CS..EExtended strand (participates in β ladder)trans-135.3146.2178.8-173.20000111.2F61 V62 F64 I79 K110 F112 L129F61-T77 WeakPolarHBondContact CA-O 3.48Å; V62-T77 HydrophobicContact CB-CG2 3.98Å; V62-T77 PolarHBondContact N-O 3.19Å; V62-T77 PolarHBondContact O-N 3.43Å; F64-T77 HydrophobicContact CD2-CG2 3.89Å; F64-T77 HydrophobicContact CE2-CG2 3.69Å; T77-I79 HydrophobicContact CG2-CD1 4.21Å; T77-I79 HydrophobicContact CG2-CG1 4.07Å; T77-K110 WeakPolarHBondContact CA-O 3.3Å; T77-K110 PolarHBondContact OG1-O 3.18Å; T77-F112 WeakPolarHBondContact OG1-CD2 3.44Å; T77-F112 WeakPolarHBondContact OG1-CE2 3.44Å; T77-L129 HydrophobicContact CG2-CD1 4.34Å
78L98.6Very high89.3Confident0 Ų061.3 Ų61.30%033%0.329CS..EExtended strand (participates in β ladder)trans-101.7115169.4177.463.3000108.9G60 K98 V101 K102 V105 F108 K110 E111 F112G60-L78 CarbonylContact O-C 3.56Å; G60-L78 WeakPolarHBondContact O-CA 3.45Å; L78-K98 HydrophobicContact CD2-CG 4.39Å; L78-V101 HydrophobicContact CD1-CG1 4.15Å; L78-K102 HydrophobicContact CD2-CD 4.19Å; L78-K102 HydrophobicContact CD2-CG 3.72Å; L78-V105 HydrophobicContact CD1-CG1 4.4Å; L78-F108 HydrophobicContact CB-CD1 4.18Å; L78-F108 HydrophobicContact CB-CD2 4.21Å; L78-F108 HydrophobicContact CB-CE1 4.25Å; L78-F108 HydrophobicContact CB-CE2 4.29Å; L78-F108 HydrophobicContact CB-CG 4.14Å; L78-F108 HydrophobicContact CB-CZ 4.28Å; L78-F108 HydrophobicContact CD2-CE1 4.12Å; L78-F108 HydrophobicContact CD2-CZ 4.13Å; L78-K110 PolarHBondContact N-O 2.74Å; L78-K110 VanDerWaalsContact N-O 3.15Å; L78-E111 HydrophobicContact CB-CB 4.36Å; L78-E111 CarbonylContact O-C 3.59Å; L78-E111 WeakPolarHBondContact O-CA 3.3Å; L78-F112 PolarHBondContact O-N 3.42Å
79I98.6Very high90.3Very high0 Ų064.3 Ų64.30%035%0.345CS..EExtended strand (participates in β ladder)trans-100.6131.7176-61.1172.9000108.5F48 F59 G60 V62 T77 F112 I114 L120 L125F48-I79 HydrophobicContact CE1-CD1 4.01Å; F48-I79 HydrophobicContact CE1-CG2 4.47Å; F48-I79 HydrophobicContact CZ-CB 4.36Å; F48-I79 HydrophobicContact CZ-CD1 4.47Å; F48-I79 HydrophobicContact CZ-CG2 4.31Å; F59-I79 CarbonylContact C-O 3.5Å; F59-I79 WeakPolarHBondContact CA-O 3.39Å; G60-I79 PolarHBondContact N-O 3.44Å; G60-I79 PolarHBondContact O-N 3.38Å; V62-I79 HydrophobicContact CG2-CD1 3.97Å; T77-I79 HydrophobicContact CG2-CD1 4.21Å; T77-I79 HydrophobicContact CG2-CG1 4.07Å; I79-F112 CarbonylContact C-O 3.58Å; I79-I114 HydrophobicContact CG2-CD1 4Å; I79-L120 HydrophobicContact CG2-CD2 3.96Å; I79-L125 HydrophobicContact CD1-CD1 3.75Å
80T98.6Very high91.7Very high1 Ų162.8 Ų62.81%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-111.5104.6167.5-56.20000107.7F59 I82 I94 K98 F112 M113 I114F59-T80 HydrophobicContact CD1-CG2 3.86Å; F59-T80 HydrophobicContact CE1-CG2 3.65Å; T80-I82 HydrophobicContact CG2-CD1 4.43Å; T80-I82 HydrophobicContact CG2-CG1 4.13Å; T80-I94 HydrophobicContact CG2-CG2 3.43Å; T80-I94 VanDerWaalsContact CG2-CG2 3.43Å; T80-K98 WeakPolarHBondContact OG1-CD 3.3Å; T80-F112 PolarHBondContact N-O 3.49Å; T80-M113 WeakPolarHBondContact O-CA 3.29Å; T80-I114 PolarHBondContact O-N 3.02Å
81W98.4Very high93Very high0 Ų057.7 Ų57.70%029%0.29CS..EExtended strand (participates in β ladder)trans-84.5134173.2169.8-106.8000110.2C52 T53 I56 P57 L58 I114 S115 P117 L120C52-W81 VanDerWaalsContact C-NE1 3.28Å; C52-W81 HydrophobicContact CB-CB 4.43Å; C52-W81 HydrophobicContact CB-CD2 3.65Å; C52-W81 HydrophobicContact CB-CE3 4.21Å; C52-W81 HydrophobicContact CB-CG 3.73Å; C52-W81 HydrophobicContact CB-CZ2 4.35Å; C52-W81 WeakPolarHBondContact O-CZ2 3.32Å; T53-W81 PolarHBondContact O-NE1 2.75Å; I56-W81 PolarHBondContact O-NE1 2.94Å; P57-W81 WeakPolarHBondContact CA-O 3.28Å; L58-W81 HydrophobicContact CB-CB 4.2Å; L58-W81 PolarHBondContact N-O 3.42Å; L58-W81 PolarHBondContact O-N 3.41Å; W81-I114 CarbonylContact C-O 3.59Å; W81-I114 WeakPolarHBondContact CA-O 3.13Å; W81-I114 HydrophobicContact CE3-CB 4.41Å; W81-I114 HydrophobicContact CE3-CG2 3.92Å; W81-I114 HydrophobicContact CZ3-CG2 3.95Å; W81-S115 WeakPolarHBondContact CH2-O 3.42Å; W81-P117 HydrophobicContact CH2-CG 3.97Å; W81-L120 HydrophobicContact CD2-CD1 4.45Å; W81-L120 HydrophobicContact CE3-CD1 3.78Å; W81-L120 HydrophobicContact CE3-CG 4.34Å; W81-L120 HydrophobicContact CZ3-CD1 3.92Å; W81-L120 HydrophobicContact CZ3-CG 4.48Å
82I97.5Very high94.1Very high16 Ų1659 Ų598%0.08230%0.303CS..EExtended strand (participates in β ladder)trans-133.387.5176.1-41.2178.5000109T80 V86 R91 I94 M113 I114 S115T80-I82 HydrophobicContact CG2-CD1 4.43Å; T80-I82 HydrophobicContact CG2-CG1 4.13Å; I82-V86 HydrophobicContact CG2-CB 4.24Å; I82-V86 HydrophobicContact CG2-CG1 4.37Å; I82-V86 HydrophobicContact CG2-CG2 4.41Å; I82-R91 HydrophobicContact CG2-CG 3.92Å; I82-R91 PolarHBondContact O-NH1 2.97Å; I82-I94 HydrophobicContact CB-CD1 4.29Å; I82-I94 HydrophobicContact CD1-CD1 3.92Å; I82-I94 HydrophobicContact CD1-CG2 4.09Å; I82-I94 HydrophobicContact CG1-CD1 3.84Å; I82-I94 HydrophobicContact CG1-CG2 4.41Å; I82-I94 HydrophobicContact CG2-CD1 3.56Å; I82-M113 HydrophobicContact CD1-CE 4.41Å; I82-M113 HydrophobicContact CD1-CG 3.81Å; I82-M113 HydrophobicContact CD1-SD 3.91Å; I82-I114 PolarHBondContact N-O 3.29Å; I82-S115 WeakPolarHBondContact O-CB 3.4Å
83G96.9Very high94.8Very high0 Ų055.2 Ų55.20%029%0.286CS..  trans-54.3147.9-178.900000113D54 I56 R85 V86 R91D54-G83 CarbonylContact O-C 3.47Å; D54-G83 VanDerWaalsContact O-CA 3.23Å; D54-G83 WeakPolarHBondContact O-CA 3.44Å; I56-G83 PolarHBondContact O-N 3.14Å; G83-R85 PolarHBondContact O-N 3.48Å; G83-R85 VanDerWaalsContact O-N 3.11Å; G83-V86 WeakPolarHBondContact O-CB 3.43Å; G83-V86 VanDerWaalsContact O-CG2 3.26Å; G83-V86 WeakPolarHBondContact O-CG2 3.2Å; G83-V86 PolarHBondContact O-N 3.34Å; G83-V86 VanDerWaalsContact O-N 3.11Å; G83-R91 PolarHBondContact O-NH1 2.99Å; G83-R91 PolarHBondContact O-NH2 3.15Å
84E96.2Very high95.4Very high125 Ų12547 Ų4758%0.58426%0.256SS*.THydrogen-bonded Turntrans-60.5-22.9-170.1-64.9-172.7168.200115.2D54 R91D54-E84 PolarHBondContact O-N 2.88Å; E84-R91 VanDerWaalsContact CA-NH2 3.27Å; E84-R91 PolarHBondContact O-NH2 3.2Å
85R96.3Very high95.5Very high188 Ų18848.5 Ų48.571%0.70926%0.263SS*.THydrogen-bonded Turntrans-95.6-0-179.2-59.1177.5-165.5159.912113.8D54 G83 G87D54-R85 HydrophobicContact CB-CB 4.46Å; D54-R85 HydrophobicContact CB-CG 4.06Å; D54-R85 WeakPolarHBondContact O-CA 3.48Å; D54-R85 WeakPolarHBondContact O-CB 3.43Å; D54-R85 PolarHBondContact O-N 3.4Å; D54-R85 IonicContact OD2-CZ 3.58Å; D54-R85 IonicContact OD2-NE 3.76Å; D54-R85 IonicContact OD2-NH2 3.23Å; D54-R85 PolarHBondContact OD2-NH2 3.02Å; G83-R85 PolarHBondContact O-N 3.48Å; G83-R85 VanDerWaalsContact O-N 3.11Å; R85-G87 PolarHBondContact O-N 2.98Å
86V95.9Very high95.6Very high6 Ų650.9 Ų50.94%0.03628%0.282CS..SBendtrans-61128.4173.6178.60000110.3P57 I82 G83 Q90 R91P57-V86 HydrophobicContact CG-CG1 4.4Å; I82-V86 HydrophobicContact CG2-CB 4.24Å; I82-V86 HydrophobicContact CG2-CG1 4.37Å; I82-V86 HydrophobicContact CG2-CG2 4.41Å; G83-V86 WeakPolarHBondContact O-CB 3.43Å; G83-V86 VanDerWaalsContact O-CG2 3.26Å; G83-V86 WeakPolarHBondContact O-CG2 3.2Å; G83-V86 PolarHBondContact O-N 3.34Å; G83-V86 VanDerWaalsContact O-N 3.11Å; V86-Q90 HydrophobicContact CG1-CB 3.92Å; V86-Q90 HydrophobicContact CG1-CG 4.09Å; V86-R91 HydrophobicContact CB-CG 4.16Å; V86-R91 HydrophobicContact CG1-CG 3.76Å; V86-R91 PolarHBondContact O-NE 3.07Å; V86-R91 PolarHBondContact O-NH2 3.33Å
87G95.1Very high95.6Very high43 Ų4349.7 Ų49.744%0.44328%0.277SS..  trans-66.1147.4-177.700000113.4R85 L89 Q90 R91R85-G87 PolarHBondContact O-N 2.98Å; G87-L89 VanDerWaalsContact C-N 3.29Å; G87-L89 PolarHBondContact O-N 2.96Å; G87-L89 VanDerWaalsContact O-N 3.16Å; G87-Q90 PolarHBondContact O-N 2.75Å; G87-R91 PolarHBondContact O-N 2.74Å
88G94.6Very high95.6Very high58 Ų5850.8 Ų50.860%0.59828%0.282SS*.Hα-helixtrans-55.6-36.8-172.900000115R91 A92G88-R91 PolarHBondContact O-N 2.88Å; G88-A92 WeakPolarHBondContact O-CB 3.21Å; G88-A92 PolarHBondContact O-N 3.43Å
89L91.4Very high95.5Very high132 Ų13254.5 Ų54.569%0.69131%0.305SS*.Hα-helixtrans-66.6-38.6177.5-177.363.3000112.5G87 K93G87-L89 VanDerWaalsContact C-N 3.29Å; G87-L89 PolarHBondContact O-N 2.96Å; G87-L89 VanDerWaalsContact O-N 3.16Å; L89-K93 WeakPolarHBondContact O-CG 3.33Å
90Q92.5Very high95.5Very high73 Ų7356.5 Ų56.534%0.34132%0.315SS..Hα-helixtrans-70.2-44176.9-169.2171.714.400109.7P57 V86 G87 A92 K93 I94P57-Q90 HydrophobicContact CG-CG 4.06Å; V86-Q90 HydrophobicContact CG1-CB 3.92Å; V86-Q90 HydrophobicContact CG1-CG 4.09Å; G87-Q90 PolarHBondContact O-N 2.75Å; Q90-A92 VanDerWaalsContact C-N 3.28Å; Q90-A92 PolarHBondContact O-N 3.37Å; Q90-K93 PolarHBondContact O-N 3.17Å; Q90-I94 WeakPolarHBondContact O-CG1 3.43Å; Q90-I94 PolarHBondContact O-N 3.04Å
91R93.9Very high95.5Very high79 Ų7956.5 Ų56.530%0.29832%0.315SS..Hα-helixtrans-53.5-44.3173.8-65.3-171.2-173.6-92.4-3.5113I82 G83 E84 V86 G87 G88 K93 I94I82-R91 HydrophobicContact CG2-CG 3.92Å; I82-R91 PolarHBondContact O-NH1 2.97Å; G83-R91 PolarHBondContact O-NH1 2.99Å; G83-R91 PolarHBondContact O-NH2 3.15Å; E84-R91 VanDerWaalsContact CA-NH2 3.27Å; E84-R91 PolarHBondContact O-NH2 3.2Å; V86-R91 HydrophobicContact CB-CG 4.16Å; V86-R91 HydrophobicContact CG1-CG 3.76Å; V86-R91 PolarHBondContact O-NE 3.07Å; V86-R91 PolarHBondContact O-NH2 3.33Å; G87-R91 PolarHBondContact O-N 2.74Å; G88-R91 PolarHBondContact O-N 2.88Å; R91-K93 PolarHBondContact O-N 3.47Å; R91-I94 PolarHBondContact O-N 3.24Å
92A92.8Very high95.5Very high69 Ų6960.1 Ų60.157%0.5733%0.331SS*.Hα-helixtrans-62.1-26-179.900000113.3G88 Q90G88-A92 WeakPolarHBondContact O-CB 3.21Å; G88-A92 PolarHBondContact O-N 3.43Å; Q90-A92 VanDerWaalsContact C-N 3.28Å; Q90-A92 PolarHBondContact O-N 3.37Å
93K93.8Very high95.5Very high83 Ų8363 Ų6336%0.36135%0.346SS..Hα-helixtrans-88.1-23.3-180-67.4178.4-178.9-177.20113.6L89 Q90 R91 S95 T96 D97L89-K93 WeakPolarHBondContact O-CG 3.33Å; Q90-K93 PolarHBondContact O-N 3.17Å; R91-K93 PolarHBondContact O-N 3.47Å; K93-S95 VanDerWaalsContact C-N 3.26Å; K93-S95 PolarHBondContact O-N 3.42Å; K93-S95 VanDerWaalsContact O-N 3.17Å; K93-T96 CarbonylContact O-C 3.59Å; K93-T96 WeakPolarHBondContact O-CA 3.42Å; K93-T96 WeakPolarHBondContact O-CB 3.45Å; K93-T96 PolarHBondContact O-N 3.44Å; K93-D97 PolarHBondContact O-N 3.35Å
94I95.4Very high95.5Very high1 Ų163.2 Ų63.21%0.00535%0.348CS..Hα-helixtrans-55.3-40.2-173.3-71.4169.3000112.2P57 F59 T80 I82 Q90 R91 T96 D97 K98P57-I94 HydrophobicContact CB-CD1 3.53Å; P57-I94 HydrophobicContact CB-CG1 4.16Å; P57-I94 HydrophobicContact CG-CD1 4.36Å; F59-I94 HydrophobicContact CE1-CG2 4.07Å; F59-I94 HydrophobicContact CZ-CG2 4.17Å; T80-I94 HydrophobicContact CG2-CG2 3.43Å; T80-I94 VanDerWaalsContact CG2-CG2 3.43Å; I82-I94 HydrophobicContact CB-CD1 4.29Å; I82-I94 HydrophobicContact CD1-CD1 3.92Å; I82-I94 HydrophobicContact CD1-CG2 4.09Å; I82-I94 HydrophobicContact CG1-CD1 3.84Å; I82-I94 HydrophobicContact CG1-CG2 4.41Å; I82-I94 HydrophobicContact CG2-CD1 3.56Å; Q90-I94 WeakPolarHBondContact O-CG1 3.43Å; Q90-I94 PolarHBondContact O-N 3.04Å; R91-I94 PolarHBondContact O-N 3.24Å; I94-T96 VanDerWaalsContact C-N 3.32Å; I94-T96 PolarHBondContact O-N 2.8Å; I94-D97 PolarHBondContact O-N 3.15Å; I94-K98 WeakPolarHBondContact O-CB 3.3Å; I94-K98 PolarHBondContact O-N 2.96Å
95S92.4Very high95.6Very high68 Ų6857.3 Ų57.348%0.47632%0.32SS..Hα-helixtrans-64.4-37.4178.960.80000112.6K93K93-S95 VanDerWaalsContact C-N 3.26Å; K93-S95 PolarHBondContact O-N 3.42Å; K93-S95 VanDerWaalsContact O-N 3.17Å
96T94.7Very high95.5Very high91 Ų9154.7 Ų54.756%0.55832%0.316SS*.Hα-helixtrans-71.7-49.1173.9-58.50000110.6K93 I94 K98 T99K93-T96 CarbonylContact O-C 3.59Å; K93-T96 WeakPolarHBondContact O-CA 3.42Å; K93-T96 WeakPolarHBondContact O-CB 3.45Å; K93-T96 PolarHBondContact O-N 3.44Å; I94-T96 VanDerWaalsContact C-N 3.32Å; I94-T96 PolarHBondContact O-N 2.8Å; T96-K98 VanDerWaalsContact C-N 3.28Å; T96-K98 PolarHBondContact O-N 3.21Å; T96-T99 WeakPolarHBondContact O-CB 3.29Å; T96-T99 WeakPolarHBondContact O-CG2 3.46Å; T96-T99 PolarHBondContact O-N 3.43Å; T96-T99 PolarHBondContact O-OG1 2.7Å
97D96.6Very high95.5Very high11 Ų1158.4 Ų58.46%0.05934%0.335CS..Hα-helixtrans-63.5-33.2-178.7-66.3-16.4000112.5T3 Y31 I36 K93 I94 T99 L100 V101T3-D97 WeakPolarHBondContact CB-OD1 3.21Å; T3-D97 HydrophobicContact CG2-CB 4.24Å; T3-D97 VanDerWaalsContact OG1-CG 3.27Å; T3-D97 PolarHBondContact OG1-OD1 2.64Å; T3-D97 PolarHBondContact OG1-OD2 3.12Å; Y31-D97 HydrophobicContact CE1-CB 4.34Å; Y31-D97 VanDerWaalsContact CE1-OD2 3.27Å; Y31-D97 WeakPolarHBondContact CE1-OD2 3.26Å; Y31-D97 WeakPolarHBondContact OH-CB 3.43Å; Y31-D97 PolarHBondContact OH-OD2 3.03Å; I36-D97 HydrophobicContact CD1-CB 4.23Å; K93-D97 PolarHBondContact O-N 3.35Å; I94-D97 PolarHBondContact O-N 3.15Å; D97-T99 PolarHBondContact O-N 2.84Å; D97-T99 VanDerWaalsContact O-N 3.14Å; D97-L100 VanDerWaalsContact O-CB 3.24Å; D97-L100 WeakPolarHBondContact O-CB 3.41Å; D97-L100 PolarHBondContact O-N 2.59Å; D97-V101 PolarHBondContact O-N 3.02Å
98K97.2Very high95.5Very high23 Ų2358.7 Ų58.710%0.133%0.325CS..Hα-helixtrans-55.5-30.3173-172.117675.9173.40112.2F59 L78 T80 I94 T96 L100 V101 K102 E111F59-K98 HydrophobicContact CD1-CG 4.41Å; F59-K98 HydrophobicContact CE1-CB 3.81Å; F59-K98 HydrophobicContact CE1-CG 4.07Å; F59-K98 HydrophobicContact CZ-CB 4.44Å; L78-K98 HydrophobicContact CD2-CG 4.39Å; T80-K98 WeakPolarHBondContact OG1-CD 3.3Å; I94-K98 WeakPolarHBondContact O-CB 3.3Å; I94-K98 PolarHBondContact O-N 2.96Å; T96-K98 VanDerWaalsContact C-N 3.28Å; T96-K98 PolarHBondContact O-N 3.21Å; K98-L100 VanDerWaalsContact C-N 3.27Å; K98-L100 PolarHBondContact O-N 3.12Å; K98-V101 WeakPolarHBondContact O-CB 3.48Å; K98-V101 PolarHBondContact O-N 2.93Å; K98-K102 HydrophobicContact CG-CD 4.35Å; K98-K102 WeakPolarHBondContact O-CG 3.46Å; K98-K102 PolarHBondContact O-N 3.19Å; K98-E111 IonicContact NZ-OE1 3.06Å; K98-E111 PolarHBondContact NZ-OE1 3Å; K98-E111 IonicContact NZ-OE2 2.71Å
99T97.4Very high95.4Very high78 Ų7858.6 Ų58.648%0.47932%0.318SS..Hα-helixtrans-63-35.6175.968.80000111.8T96 D97 V101 K102 D103T96-T99 WeakPolarHBondContact O-CB 3.29Å; T96-T99 WeakPolarHBondContact O-CG2 3.46Å; T96-T99 PolarHBondContact O-N 3.43Å; T96-T99 PolarHBondContact O-OG1 2.7Å; D97-T99 PolarHBondContact O-N 2.84Å; D97-T99 VanDerWaalsContact O-N 3.14Å; T99-V101 VanDerWaalsContact C-N 3.33Å; T99-V101 PolarHBondContact O-N 3.09Å; T99-K102 PolarHBondContact O-N 2.96Å; T99-D103 PolarHBondContact O-N 3.26Å
100L97.9Very high95.6Very high41 Ų4155.2 Ų55.222%0.21530%0.298CS..Hα-helixtrans-65.8-37174.5-56.7172.9000111.6T3 I5 D97 K98 D103T3-L100 HydrophobicContact CG2-CD1 3.91Å; T3-L100 WeakPolarHBondContact O-CD1 3.42Å; I5-L100 HydrophobicContact CB-CB 4.22Å; I5-L100 WeakPolarHBondContact CD1-O 3.39Å; I5-L100 HydrophobicContact CG2-CB 3.93Å; D97-L100 VanDerWaalsContact O-CB 3.24Å; D97-L100 WeakPolarHBondContact O-CB 3.41Å; D97-L100 PolarHBondContact O-N 2.59Å; K98-L100 VanDerWaalsContact C-N 3.27Å; K98-L100 PolarHBondContact O-N 3.12Å; L100-D103 WeakPolarHBondContact O-CB 3.29Å; L100-D103 PolarHBondContact O-N 2.99Å
101V98.4Very high95.8Very high1 Ų155.1 Ų55.11%0.00630%0.298CS..Hα-helixtrans-66-41.2174-178.30000110.4I5 F29 I36 F59 L78 D97 K98 T99 D103 V104 V105I5-V101 HydrophobicContact CD1-CG2 4.42Å; F29-V101 HydrophobicContact CD2-CG1 4.18Å; F29-V101 HydrophobicContact CE2-CG1 4.43Å; I36-V101 HydrophobicContact CD1-CG2 3.9Å; I36-V101 HydrophobicContact CG2-CG2 4.25Å; F59-V101 HydrophobicContact CB-CG1 4.32Å; F59-V101 HydrophobicContact CB-CG2 4.39Å; F59-V101 HydrophobicContact CD1-CG2 4.23Å; F59-V101 HydrophobicContact CD2-CG2 3.75Å; F59-V101 HydrophobicContact CE1-CG2 4.46Å; F59-V101 HydrophobicContact CE2-CG2 4.01Å; F59-V101 HydrophobicContact CG-CG2 3.87Å; F59-V101 HydrophobicContact CZ-CG2 4.35Å; L78-V101 HydrophobicContact CD1-CG1 4.15Å; D97-V101 PolarHBondContact O-N 3.02Å; K98-V101 WeakPolarHBondContact O-CB 3.48Å; K98-V101 PolarHBondContact O-N 2.93Å; T99-V101 VanDerWaalsContact C-N 3.33Å; T99-V101 PolarHBondContact O-N 3.09Å; V101-D103 VanDerWaalsContact C-N 3.28Å; V101-D103 PolarHBondContact O-N 2.81Å; V101-V104 PolarHBondContact O-N 3.23Å; V101-V105 HydrophobicContact CG1-CB 4.43Å; V101-V105 HydrophobicContact CG1-CG2 3.96Å; V101-V105 PolarHBondContact O-N 3.07Å
102K98.3Very high96Very high76 Ų7652 Ų5233%0.3329%0.286SS..Hα-helixtrans-69.5-20.1178.7-69.517867.3160.60114L78 K98 T99 V104 F108 E111L78-K102 HydrophobicContact CD2-CD 4.19Å; L78-K102 HydrophobicContact CD2-CG 3.72Å; K98-K102 HydrophobicContact CG-CD 4.35Å; K98-K102 WeakPolarHBondContact O-CG 3.46Å; K98-K102 PolarHBondContact O-N 3.19Å; T99-K102 PolarHBondContact O-N 2.96Å; K102-V104 PolarHBondContact O-N 3.5Å; K102-F108 HydrophobicContact CD-CZ 4.36Å; K102-F108 HydrophobicContact CG-CE1 4.4Å; K102-F108 HydrophobicContact CG-CZ 4.49Å; K102-E111 IonicContact NZ-OE2 2.66Å; K102-E111 PolarHBondContact NZ-OE2 3.3Å
103D97.6Very high96.2Very high77 Ų7753.7 Ų53.741%0.41228%0.284SS..THydrogen-bonded Turntrans-59.9-29.4167.2-79.3-0.3000111.9K7 T99 L100 V101 Q106K7-D103 IonicContact NZ-OD2 3.81Å; K7-D103 PolarHBondContact NZ-OD2 3.2Å; T99-D103 PolarHBondContact O-N 3.26Å; L100-D103 WeakPolarHBondContact O-CB 3.29Å; L100-D103 PolarHBondContact O-N 2.99Å; V101-D103 VanDerWaalsContact C-N 3.28Å; V101-D103 PolarHBondContact O-N 2.81Å; D103-Q106 PolarHBondContact O-NE2 3.24Å
104V98.1Very high96.3Very high5 Ų549.9 Ų49.93%0.0327%0.267CS..THydrogen-bonded Turntrans-98.3-51.7179.4-179.80000110.7I5 K7 C10 R11 Y14 V101 K102 Q106I5-V104 HydrophobicContact CD1-CG2 4Å; K7-V104 HydrophobicContact CB-CG2 4.49Å; K7-V104 HydrophobicContact CG-CG2 4.36Å; C10-V104 HydrophobicContact CB-CG1 4.11Å; C10-V104 HydrophobicContact CB-CG2 4.37Å; R11-V104 HydrophobicContact CB-CG1 3.89Å; R11-V104 HydrophobicContact CG-CG1 4.47Å; Y14-V104 WeakPolarHBondContact CE1-O 3.32Å; V101-V104 PolarHBondContact O-N 3.23Å; K102-V104 PolarHBondContact O-N 3.5Å; V104-Q106 PolarHBondContact O-N 3.23Å
105V97.9Very high96.3Very high1 Ų152.2 Ų52.21%0.00628%0.283CS..  trans-87.882.9-177.4-175.40000109.4Y14 F29 F61 L78 V101 F108Y14-V105 HydrophobicContact CD2-CB 4.21Å; Y14-V105 HydrophobicContact CD2-CG1 4.01Å; Y14-V105 HydrophobicContact CD2-CG2 3.97Å; Y14-V105 HydrophobicContact CE2-CB 4.3Å; Y14-V105 HydrophobicContact CE2-CG1 3.92Å; Y14-V105 HydrophobicContact CG-CG2 4.41Å; F29-V105 HydrophobicContact CE2-CG2 3.93Å; F29-V105 HydrophobicContact CZ-CG2 4.09Å; F61-V105 HydrophobicContact CB-CG1 4.21Å; F61-V105 HydrophobicContact CB-CG2 4.46Å; F61-V105 HydrophobicContact CD2-CG1 3.27Å; F61-V105 HydrophobicContact CE2-CG1 3.72Å; F61-V105 HydrophobicContact CG-CG1 3.86Å; L78-V105 HydrophobicContact CD1-CG1 4.4Å; V101-V105 HydrophobicContact CG1-CB 4.43Å; V101-V105 HydrophobicContact CG1-CG2 3.96Å; V101-V105 PolarHBondContact O-N 3.07Å; V105-F108 HydrophobicContact CG1-CD1 4.02Å; V105-F108 VanDerWaalsContact O-CE1 3.29Å; V105-F108 WeakPolarHBondContact O-CE1 3.46Å
106Q94.3Very high96.4Very high132 Ų13252.2 Ų52.262%0.61728%0.276SS*.  trans-92.5-28.9-170.9-65.9-177.1-22.300114.4Y14 D103 V104Y14-Q106 PolarHBondContact OH-N 2.62Å; D103-Q106 PolarHBondContact O-NE2 3.24Å; V104-Q106 PolarHBondContact O-N 3.23Å
107N94.4Very high96.4Very high84 Ų8451.3 Ų51.345%0.44927%0.272SS..  trans-114.7104.6-173-64.5-65.2000111.2Y14 R18 F61Y14-N107 PolarHBondContact OH-N 2.81Å; Y14-N107 PolarHBondContact OH-ND2 3.3Å; R18-N107 PolarHBondContact NH1-ND2 3.48Å; F61-N107 WeakPolarHBondContact CE2-O 3.34Å
108F95.6Very high96.2Very high50 Ų5059.2 Ų59.222%0.21930%0.301CS..  trans-151.6155.417455.4-93000110.1F61 F76 L78 K102 V105 K110 E111F61-F108 HydrophobicContact CE2-CB 4.15Å; F76-F108 HydrophobicContact CB-CB 4.36Å; F76-F108 CarbonylContact O-C 3.57Å; L78-F108 HydrophobicContact CB-CD1 4.18Å; L78-F108 HydrophobicContact CB-CD2 4.21Å; L78-F108 HydrophobicContact CB-CE1 4.25Å; L78-F108 HydrophobicContact CB-CE2 4.29Å; L78-F108 HydrophobicContact CB-CG 4.14Å; L78-F108 HydrophobicContact CB-CZ 4.28Å; L78-F108 HydrophobicContact CD2-CE1 4.12Å; L78-F108 HydrophobicContact CD2-CZ 4.13Å; K102-F108 HydrophobicContact CD-CZ 4.36Å; K102-F108 HydrophobicContact CG-CE1 4.4Å; K102-F108 HydrophobicContact CG-CZ 4.49Å; V105-F108 HydrophobicContact CG1-CD1 4.02Å; V105-F108 VanDerWaalsContact O-CE1 3.29Å; V105-F108 WeakPolarHBondContact O-CE1 3.46Å; F108-K110 WeakPolarHBondContact CD2-O 3.49Å; F108-E111 HydrophobicContact CE2-CB 3.82Å; F108-E111 HydrophobicContact CE2-CG 4.38Å; F108-E111 HydrophobicContact CZ-CB 4.44Å
109A93.6Very high96.1Very high56 Ų5660.8 Ų60.846%0.46331%0.308SS..SBendtrans-82-35.8-175.900000112.9F76 L129F76-A109 PolarHBondContact O-N 3.18Å; A109-L129 HydrophobicContact CB-CD2 4.01Å
110K95Very high96Very high61 Ų6157.3 Ų57.327%0.26529%0.287SS..EExtended strand (participates in β ladder)trans-149.7150.9180-172.1164.4175.7172.50110T77 L78 F108 F112 E128 L129 A132T77-K110 WeakPolarHBondContact CA-O 3.3Å; T77-K110 PolarHBondContact OG1-O 3.18Å; L78-K110 PolarHBondContact N-O 2.74Å; L78-K110 VanDerWaalsContact N-O 3.15Å; F108-K110 WeakPolarHBondContact CD2-O 3.49Å; K110-F112 HydrophobicContact CB-CE2 4.02Å; K110-F112 HydrophobicContact CB-CZ 4.39Å; K110-F112 HydrophobicContact CD-CE1 4.07Å; K110-F112 HydrophobicContact CD-CE2 4.09Å; K110-F112 HydrophobicContact CD-CZ 3.63Å; K110-F112 HydrophobicContact CG-CD2 4.42Å; K110-F112 HydrophobicContact CG-CE2 3.89Å; K110-F112 HydrophobicContact CG-CZ 3.96Å; K110-E128 HydrophobicContact CD-CB 4.5Å; K110-E128 IonicContact NZ-OE2 2.7Å; K110-E128 PolarHBondContact NZ-OE2 2.81Å; K110-L129 HydrophobicContact CB-CD2 3.8Å; K110-A132 HydrophobicContact CB-CB 4.48Å; K110-A132 HydrophobicContact CD-CB 4.19Å
111E96.3Very high95.9Very high71 Ų7159.4 Ų59.433%0.33230%0.295SS..EExtended strand (participates in β ladder)trans-108143.7167.158.9176-123.600110.3L78 K98 K102 F108L78-E111 HydrophobicContact CB-CB 4.36Å; L78-E111 CarbonylContact O-C 3.59Å; L78-E111 WeakPolarHBondContact O-CA 3.3Å; K98-E111 IonicContact NZ-OE1 3.06Å; K98-E111 PolarHBondContact NZ-OE1 3Å; K98-E111 IonicContact NZ-OE2 2.71Å; K102-E111 IonicContact NZ-OE2 2.66Å; K102-E111 PolarHBondContact NZ-OE2 3.3Å; F108-E111 HydrophobicContact CE2-CB 3.82Å; F108-E111 HydrophobicContact CE2-CG 4.38Å; F108-E111 HydrophobicContact CZ-CB 4.44Å
112F97.6Very high95.7Very high14 Ų1463.2 Ų63.26%0.06131%0.313CS..EExtended strand (participates in β ladder)trans-122.7141.7175.2-62-94.9000109.7T77 L78 I79 T80 K110 I114 L125 E128 L129T77-F112 WeakPolarHBondContact OG1-CD2 3.44Å; T77-F112 WeakPolarHBondContact OG1-CE2 3.44Å; L78-F112 PolarHBondContact O-N 3.42Å; I79-F112 CarbonylContact C-O 3.58Å; T80-F112 PolarHBondContact N-O 3.49Å; K110-F112 HydrophobicContact CB-CE2 4.02Å; K110-F112 HydrophobicContact CB-CZ 4.39Å; K110-F112 HydrophobicContact CD-CE1 4.07Å; K110-F112 HydrophobicContact CD-CE2 4.09Å; K110-F112 HydrophobicContact CD-CZ 3.63Å; K110-F112 HydrophobicContact CG-CD2 4.42Å; K110-F112 HydrophobicContact CG-CE2 3.89Å; K110-F112 HydrophobicContact CG-CZ 3.96Å; F112-I114 HydrophobicContact CB-CD1 3.9Å; F112-I114 HydrophobicContact CB-CG1 3.99Å; F112-L125 HydrophobicContact CD1-CD2 3.89Å; F112-L125 HydrophobicContact CD2-CD2 4Å; F112-L125 HydrophobicContact CE1-CD2 3.93Å; F112-L125 HydrophobicContact CE2-CD2 4.05Å; F112-L125 HydrophobicContact CG-CD2 3.91Å; F112-L125 HydrophobicContact CZ-CD2 4Å; F112-E128 HydrophobicContact CE1-CB 3.55Å; F112-E128 HydrophobicContact CE1-CG 3.97Å; F112-E128 HydrophobicContact CZ-CB 3.53Å; F112-E128 HydrophobicContact CZ-CG 4.45Å; F112-L129 HydrophobicContact CE2-CD2 4.35Å; F112-L129 HydrophobicContact CE2-CG 4.36Å; F112-L129 HydrophobicContact CZ-CG 4.47Å
113M97Very high95.4Very high104 Ų10467.7 Ų67.751%0.51234%0.335SS..EExtended strand (participates in β ladder)trans-117.1115.6166.9-178.4175.3-7300106.4T80 I82T80-M113 WeakPolarHBondContact O-CA 3.29Å; I82-M113 HydrophobicContact CD1-CE 4.41Å; I82-M113 HydrophobicContact CD1-CG 3.81Å; I82-M113 HydrophobicContact CD1-SD 3.91Å
114I97.3Very high95.2Very high3 Ų368.6 Ų68.62%0.01533%0.333CS..EExtended strand (participates in β ladder)trans-126.5133.4-168.3-62.6171.9000108.7I79 T80 W81 I82 F112 E116 E119 L120 L125I79-I114 HydrophobicContact CG2-CD1 4Å; T80-I114 PolarHBondContact O-N 3.02Å; W81-I114 CarbonylContact C-O 3.59Å; W81-I114 WeakPolarHBondContact CA-O 3.13Å; W81-I114 HydrophobicContact CE3-CB 4.41Å; W81-I114 HydrophobicContact CE3-CG2 3.92Å; W81-I114 HydrophobicContact CZ3-CG2 3.95Å; I82-I114 PolarHBondContact N-O 3.29Å; F112-I114 HydrophobicContact CB-CD1 3.9Å; F112-I114 HydrophobicContact CB-CG1 3.99Å; I114-E116 VanDerWaalsContact CG2-O 3.29Å; I114-E116 WeakPolarHBondContact CG2-O 3.25Å; I114-E119 HydrophobicContact CD1-CB 4.4Å; I114-E119 WeakPolarHBondContact CD1-O 3.41Å; I114-E119 HydrophobicContact CG1-CB 4.26Å; I114-E119 HydrophobicContact CG2-CB 3.72Å; I114-L120 HydrophobicContact CD1-CD2 3.76Å; I114-L120 HydrophobicContact CD1-CG 4.43Å; I114-L120 HydrophobicContact CG2-CD2 4.24Å; I114-L120 HydrophobicContact CG2-CG 4.02Å; I114-L125 HydrophobicContact CD1-CD2 3.97Å
115S95.1Very high95Very high49 Ų4968.3 Ų68.334%0.34333%0.332SS..  trans-123.8-7.9172.551.10000112.9W81 I82W81-S115 WeakPolarHBondContact CH2-O 3.42Å; I82-S115 WeakPolarHBondContact O-CB 3.4Å
116E94.7Very high94.8Very high69 Ų6969.1 Ų69.132%0.32234%0.337SS..SBendtrans-114.9129-179.2-62.3-172.7-158.800110.9I114 R118 E119I114-E116 VanDerWaalsContact CG2-O 3.29Å; I114-E116 WeakPolarHBondContact CG2-O 3.25Å; E116-R118 HydrophobicContact CB-CG 4.18Å; E116-R118 PolarHBondContact O-N 2.74Å; E116-R118 VanDerWaalsContact O-N 3.12Å; E116-R118 IonicContact OE1-NH2 3.01Å; E116-R118 IonicContact OE2-CZ 2.88Å; E116-R118 IonicContact OE2-NE 2.74Å; E116-R118 PolarHBondContact OE2-NE 2.79Å; E116-R118 IonicContact OE2-NH2 2.7Å; E116-R118 PolarHBondContact OE2-NH2 2.85Å; E116-E119 HydrophobicContact CB-CG 4.3Å; E116-E119 PolarHBondContact O-N 2.83Å
117P93.3Very high94.6Very high72 Ų7265.4 Ų65.447%0.46833%0.326SS..G310 helixtrans-56.9-32.1-177.1-28.235.5000114.4W81 E119 L120W81-P117 HydrophobicContact CH2-CG 3.97Å; P117-E119 PolarHBondContact O-N 2.78Å; P117-L120 WeakPolarHBondContact O-CB 3.4Å; P117-L120 PolarHBondContact O-N 2.97Å
118R93.8Very high94.5Very high177 Ų17762.9 Ų62.967%0.66831%0.311SS*.G310 helixtrans-62.1-24.5177.965.3175.6176.8164.2-2.3113.8E116 L120E116-R118 HydrophobicContact CB-CG 4.18Å; E116-R118 PolarHBondContact O-N 2.74Å; E116-R118 VanDerWaalsContact O-N 3.12Å; E116-R118 IonicContact OE1-NH2 3.01Å; E116-R118 IonicContact OE2-CZ 2.88Å; E116-R118 IonicContact OE2-NE 2.74Å; E116-R118 PolarHBondContact OE2-NE 2.79Å; E116-R118 IonicContact OE2-NH2 2.7Å; E116-R118 PolarHBondContact OE2-NH2 2.85Å; R118-L120 VanDerWaalsContact C-N 3.31Å
119E94Very high94.2Very high56 Ų5660.5 Ų60.526%0.26230%0.301SS..G310 helixtrans-83.8-9.8177.3-59.2-178.5118.700112I114 E116 P117 E121 Y124I114-E119 HydrophobicContact CD1-CB 4.4Å; I114-E119 WeakPolarHBondContact CD1-O 3.41Å; I114-E119 HydrophobicContact CG1-CB 4.26Å; I114-E119 HydrophobicContact CG2-CB 3.72Å; E116-E119 HydrophobicContact CB-CG 4.3Å; E116-E119 PolarHBondContact O-N 2.83Å; P117-E119 PolarHBondContact O-N 2.78Å; E119-E121 VanDerWaalsContact C-N 3.26Å; E119-Y124 HydrophobicContact CB-CD1 4.41Å; E119-Y124 HydrophobicContact CB-CE1 4.21Å; E119-Y124 VanDerWaalsContact O-CD1 3.27Å; E119-Y124 WeakPolarHBondContact O-CD1 3.32Å
120L96.1Very high93.9Very high4 Ų462 Ų622%0.02130%0.297CS..G310 helixtrans-82.6-0.1169.8-69.3172.4000112.6Y45 F48 K49 C52 I79 W81 I114 P117 R118 E122Y45-L120 VanDerWaalsContact CE1-O 3.26Å; Y45-L120 WeakPolarHBondContact CE1-O 3.13Å; Y45-L120 PolarHBondContact OH-O 2.87Å; F48-L120 HydrophobicContact CE1-CD2 4.32Å; K49-L120 HydrophobicContact CD-CB 4.18Å; K49-L120 HydrophobicContact CG-CB 4.43Å; C52-L120 HydrophobicContact CB-CD1 3.54Å; I79-L120 HydrophobicContact CG2-CD2 3.96Å; W81-L120 HydrophobicContact CD2-CD1 4.45Å; W81-L120 HydrophobicContact CE3-CD1 3.78Å; W81-L120 HydrophobicContact CE3-CG 4.34Å; W81-L120 HydrophobicContact CZ3-CD1 3.92Å; W81-L120 HydrophobicContact CZ3-CG 4.48Å; I114-L120 HydrophobicContact CD1-CD2 3.76Å; I114-L120 HydrophobicContact CD1-CG 4.43Å; I114-L120 HydrophobicContact CG2-CD2 4.24Å; I114-L120 HydrophobicContact CG2-CG 4.02Å; P117-L120 WeakPolarHBondContact O-CB 3.4Å; P117-L120 PolarHBondContact O-N 2.97Å; R118-L120 VanDerWaalsContact C-N 3.31Å; L120-E122 PolarHBondContact O-N 3.47Å
121E95.6Very high93.4Very high85 Ų8564.9 Ų64.940%0.39731%0.31SS..  trans-66.8131.9177.9-66.6-53145.700111.5K49 E119 E123 Y124 L125K49-E121 IonicContact NZ-OE1 2.94Å; K49-E121 PolarHBondContact NZ-OE1 2.74Å; K49-E121 IonicContact NZ-OE2 2.73Å; K49-E121 PolarHBondContact NZ-OE2 2.64Å; E119-E121 VanDerWaalsContact C-N 3.26Å; E121-E123 PolarHBondContact O-N 3.27Å; E121-Y124 WeakPolarHBondContact O-CB 3.1Å; E121-Y124 PolarHBondContact O-N 2.71Å; E121-L125 PolarHBondContact O-N 3.34Å; E121-L125 VanDerWaalsContact O-N 3.12Å
122E93.8Very high92.7Very high81 Ų8164.2 Ų64.238%0.37932%0.316SS..Hα-helixtrans-58.3-37.4-173174.3167.8-176.800111.8Y45 F64 L120 Y124 L125 C126Y45-E122 HydrophobicContact CD1-CB 4.15Å; Y45-E122 HydrophobicContact CE1-CB 4.2Å; F64-E122 HydrophobicContact CD1-CG 3.8Å; F64-E122 HydrophobicContact CE1-CB 4.15Å; F64-E122 HydrophobicContact CE1-CG 3.54Å; F64-E122 HydrophobicContact CZ-CG 4.47Å; L120-E122 PolarHBondContact O-N 3.47Å; E122-Y124 VanDerWaalsContact C-N 3.34Å; E122-Y124 PolarHBondContact O-N 2.88Å; E122-L125 PolarHBondContact O-N 3.11Å; E122-C126 WeakPolarHBondContact O-CB 3.33Å; E122-C126 PolarHBondContact O-N 3.32Å; E122-C126 PolarHBondContact O-SG 3.09Å
123E91.9Very high91.4Very high170 Ų17065.4 Ų65.479%0.79433%0.333SS*.Hα-helixtrans-59.8-43.2177.2-65.2171.717600112E121 S127E121-E123 PolarHBondContact O-N 3.27Å; E123-S127 VanDerWaalsContact O-CB 3.3Å; E123-S127 WeakPolarHBondContact O-CB 3.5Å; E123-S127 PolarHBondContact O-N 2.66Å
124Y93.9Very high89.5Confident96 Ų9664 Ų6438%0.37635%0.345SS..Hα-helixtrans-65.3-50.1177.2172.1-98.8000110.7E119 E121 E122 C126 S127 E128E119-Y124 HydrophobicContact CB-CD1 4.41Å; E119-Y124 HydrophobicContact CB-CE1 4.21Å; E119-Y124 VanDerWaalsContact O-CD1 3.27Å; E119-Y124 WeakPolarHBondContact O-CD1 3.32Å; E121-Y124 WeakPolarHBondContact O-CB 3.1Å; E121-Y124 PolarHBondContact O-N 2.71Å; E122-Y124 VanDerWaalsContact C-N 3.34Å; E122-Y124 PolarHBondContact O-N 2.88Å; Y124-C126 PolarHBondContact O-N 2.66Å; Y124-S127 WeakPolarHBondContact O-CB 3.41Å; Y124-S127 PolarHBondContact O-N 3.27Å; Y124-E128 HydrophobicContact CE1-CG 4.22Å; Y124-E128 HydrophobicContact CE2-CG 4.11Å; Y124-E128 WeakPolarHBondContact O-CG 3.49Å; Y124-E128 PolarHBondContact O-N 3.01Å
125L94.8Very high87.4Confident0 Ų066.6 Ų66.60%037%0.366CS..Hα-helixtrans-61.3-43.7179.3-64.6174.5000111.9Y45 F64 I79 F112 I114 E121 E122 E128 L129Y45-L125 WeakPolarHBondContact OH-CD1 3.5Å; F64-L125 HydrophobicContact CE2-CB 4.06Å; F64-L125 HydrophobicContact CE2-CD1 3.91Å; F64-L125 HydrophobicContact CZ-CB 4.34Å; F64-L125 HydrophobicContact CZ-CD1 3.8Å; I79-L125 HydrophobicContact CD1-CD1 3.75Å; F112-L125 HydrophobicContact CD1-CD2 3.89Å; F112-L125 HydrophobicContact CD2-CD2 4Å; F112-L125 HydrophobicContact CE1-CD2 3.93Å; F112-L125 HydrophobicContact CE2-CD2 4.05Å; F112-L125 HydrophobicContact CG-CD2 3.91Å; F112-L125 HydrophobicContact CZ-CD2 4Å; I114-L125 HydrophobicContact CD1-CD2 3.97Å; E121-L125 PolarHBondContact O-N 3.34Å; E121-L125 VanDerWaalsContact O-N 3.12Å; E122-L125 PolarHBondContact O-N 3.11Å; L125-E128 PolarHBondContact O-N 3.34Å; L125-L129 WeakPolarHBondContact O-CB 3.26Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.5Å; L125-L129 PolarHBondContact O-N 3.18Å
126C92.1Very high85.2Confident18 Ų1869.1 Ų69.112%0.12238%0.376CS..Hα-helixtrans-63.6-41.8177-76.10000112.1T66 E122 Y124 E128 L129 K130T66-C126 HydrophobicContact CG2-CB 4.36Å; E122-C126 WeakPolarHBondContact O-CB 3.33Å; E122-C126 PolarHBondContact O-N 3.32Å; E122-C126 PolarHBondContact O-SG 3.09Å; Y124-C126 PolarHBondContact O-N 2.66Å; C126-E128 VanDerWaalsContact C-N 3.35Å; C126-L129 PolarHBondContact O-N 2.93Å; C126-K130 WeakPolarHBondContact O-CB 3.37Å; C126-K130 WeakPolarHBondContact O-CG 3.22Å; C126-K130 PolarHBondContact O-N 3.45Å
127S90.8Very high83.2Confident53 Ų5374.4 Ų74.437%0.37139%0.394SS..Hα-helixtrans-59.6-46.3174.7-1780000111.3E123 Y124 L129 K130 K131E123-S127 VanDerWaalsContact O-CB 3.3Å; E123-S127 WeakPolarHBondContact O-CB 3.5Å; E123-S127 PolarHBondContact O-N 2.66Å; Y124-S127 WeakPolarHBondContact O-CB 3.41Å; Y124-S127 PolarHBondContact O-N 3.27Å; S127-L129 PolarHBondContact O-N 3.33Å; S127-K130 WeakPolarHBondContact O-CB 3.43Å; S127-K130 PolarHBondContact O-N 2.84Å; S127-K131 WeakPolarHBondContact O-CG 3.44Å; S127-K131 PolarHBondContact O-N 2.75Å; S127-K131 VanDerWaalsContact O-N 3.09Å
128E91.6Very high81.2Confident32 Ų3277.2 Ų77.215%0.1541%0.405CS..Hα-helixtrans-66.1-36.3177.9-71.9-59.2118.100113K110 F112 Y124 L125 C126 K131 A132K110-E128 HydrophobicContact CD-CB 4.5Å; K110-E128 IonicContact NZ-OE2 2.7Å; K110-E128 PolarHBondContact NZ-OE2 2.81Å; F112-E128 HydrophobicContact CE1-CB 3.55Å; F112-E128 HydrophobicContact CE1-CG 3.97Å; F112-E128 HydrophobicContact CZ-CB 3.53Å; F112-E128 HydrophobicContact CZ-CG 4.45Å; Y124-E128 HydrophobicContact CE1-CG 4.22Å; Y124-E128 HydrophobicContact CE2-CG 4.11Å; Y124-E128 WeakPolarHBondContact O-CG 3.49Å; Y124-E128 PolarHBondContact O-N 3.01Å; L125-E128 PolarHBondContact O-N 3.34Å; C126-E128 VanDerWaalsContact C-N 3.35Å; E128-K131 IonicContact OE1-NZ 2.65Å; E128-K131 PolarHBondContact OE1-NZ 3.49Å; E128-A132 PolarHBondContact O-N 3Å; E128-A132 VanDerWaalsContact O-N 3.11Å
129L90.2Very high78.9Confident0 Ų073 Ų730%041%0.409CS..Hα-helixtrans-70.1-34.6173.9-74.1169.4000112.7F64 T66 K75 T77 A109 K110 F112 L125 C126 S127 A132 G133F64-L129 HydrophobicContact CB-CD1 4.27Å; F64-L129 HydrophobicContact CD2-CD1 3.66Å; F64-L129 HydrophobicContact CE2-CD1 4.49Å; F64-L129 HydrophobicContact CG-CD1 4.36Å; T66-L129 HydrophobicContact CG2-CB 4.49Å; K75-L129 HydrophobicContact CB-CD1 4.44Å; K75-L129 HydrophobicContact CD-CB 4.05Å; K75-L129 PolarHBondContact NZ-O 2.85Å; T77-L129 HydrophobicContact CG2-CD1 4.34Å; A109-L129 HydrophobicContact CB-CD2 4.01Å; K110-L129 HydrophobicContact CB-CD2 3.8Å; F112-L129 HydrophobicContact CE2-CD2 4.35Å; F112-L129 HydrophobicContact CE2-CG 4.36Å; F112-L129 HydrophobicContact CZ-CG 4.47Å; L125-L129 WeakPolarHBondContact O-CB 3.26Å; L125-L129 VanDerWaalsContact O-CG 3.25Å; L125-L129 WeakPolarHBondContact O-CG 3.5Å; L125-L129 PolarHBondContact O-N 3.18Å; C126-L129 PolarHBondContact O-N 2.93Å; S127-L129 PolarHBondContact O-N 3.33Å; L129-A132 PolarHBondContact O-N 2.87Å; L129-G133 PolarHBondContact O-N 3.31Å
130K86.3Confident76.4Confident87 Ų8778.9 Ų78.938%0.37844%0.436SS..Hα-helixtrans-61-50.7172.3-77.9177.3179.5-174.60110.5C126 S127 A132 G133C126-K130 WeakPolarHBondContact O-CB 3.37Å; C126-K130 WeakPolarHBondContact O-CG 3.22Å; C126-K130 PolarHBondContact O-N 3.45Å; S127-K130 WeakPolarHBondContact O-CB 3.43Å; S127-K130 PolarHBondContact O-N 2.84Å; K130-A132 VanDerWaalsContact C-N 3.31Å; K130-A132 PolarHBondContact O-N 3.15Å; K130-G133 PolarHBondContact O-N 2.93Å
131K85.4Confident73.8Confident122 Ų12283 Ų8353%0.5347%0.47SS..Hα-helixtrans-55.8-43.4176.4-66.4172.4-167.6170.70112.5S127 E128 G133S127-K131 WeakPolarHBondContact O-CG 3.44Å; S127-K131 PolarHBondContact O-N 2.75Å; S127-K131 VanDerWaalsContact O-N 3.09Å; E128-K131 IonicContact OE1-NZ 2.65Å; E128-K131 PolarHBondContact OE1-NZ 3.49Å; K131-G133 VanDerWaalsContact C-N 3.25Å; K131-G133 PolarHBondContact O-N 3.14Å
132A80.6Confident71.1Confident56 Ų5692 Ų9246%0.46351%0.512SS..Hα-helixtrans-68-22.3178.400000114K110 E128 L129 K130K110-A132 HydrophobicContact CB-CB 4.48Å; K110-A132 HydrophobicContact CD-CB 4.19Å; E128-A132 PolarHBondContact O-N 3Å; E128-A132 VanDerWaalsContact O-N 3.11Å; L129-A132 PolarHBondContact O-N 2.87Å; K130-A132 VanDerWaalsContact C-N 3.31Å; K130-A132 PolarHBondContact O-N 3.15Å
133G71.4Confident69.9Low40 Ų4092.5 Ų92.541%0.41252%0.519SS..THydrogen-bonded Turntrans-880.2-176.700000115.8L129 K130 K131 A135L129-G133 PolarHBondContact O-N 3.31Å; K130-G133 PolarHBondContact O-N 2.93Å; K131-G133 VanDerWaalsContact C-N 3.25Å; K131-G133 PolarHBondContact O-N 3.14Å; G133-A135 PolarHBondContact O-N 2.93Å
134G57.3Low68.8Low75 Ų7588.4 Ų88.477%0.77350%0.504SS*.  trans67.3-5.4170.200000117.5
135A53.7Low67.4Low56 Ų5688 Ų8846%0.46351%0.512SS..  trans-109.488.2179.300000110.6G133 Y137G133-A135 PolarHBondContact O-N 2.93Å; A135-Y137 HydrophobicContact CB-CD2 4.25Å; A135-Y137 HydrophobicContact CB-CE2 3.86Å
136N49Very low65.8Low102 Ų10293.2 Ų93.255%0.54554%0.542SS..  trans-103.597.4164-83.5-4.1000107.6D138N136-D138 VanDerWaalsContact C-N 3.32Å
137Y50.8Low64.1Low181 Ų18197.9 Ų97.971%0.7157%0.568SS**  trans-87.6-1.4173.7-70.2-76.7000113.1A135 A139A135-Y137 HydrophobicContact CB-CD2 4.25Å; A135-Y137 HydrophobicContact CB-CE2 3.86Å; Y137-A139 PolarHBondContact O-N 3.15Å; Y137-A139 VanDerWaalsContact O-N 3.15Å
138D51.6Low62.4Low131 Ų131100.9 Ų100.970%0.70158%0.581SS**THydrogen-bonded Turntrans-71.2-3.5175.9-64.2-33.5000113.5N136N136-D138 VanDerWaalsContact C-N 3.32Å
139A46.8Very low60.3Low89 Ų89105.8 Ų105.874%0.73661%0.612SS**THydrogen-bonded Turntrans-89.510.5178.300000114.3Y137Y137-A139 PolarHBondContact O-N 3.15Å; Y137-A139 VanDerWaalsContact O-N 3.15Å
140Q41.5Very low58Low179 Ų179113.9 Ų113.984%0.83666%0.659SS**SBendtrans-128.845.1175.3-67-173.421.100112.2
141A41.6Very low55.6Low90 Ų90116.2 Ų116.274%0.74468%0.682SS**  trans-130.754.9166.200000110.4
142E37.8Very low52.9Low273 Ų273115.6 Ų115.6100%1.27670%0.696SS**  trans-140.70150.7-85.4-168.396.500109.4

Retrieved 142 of 142 residues in 113.9 ms (Link to these results)

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