A0A3P9MZK9_POERE Loading...

Large ribosomal subunit protein eL28

AlphaFold DB , UniProt , Accession A0A3P9MZK9, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 137 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
1M77.3Confident94.5Very high173 Ų17384.9 Ų84.985%0.85243%0.432SS*.  0134.30-155.562.791.300110.6L5 Q6M1-L5 HydrophobicContact SD-CD2 3.94Å; M1-Q6 HydrophobicContact CB-CG 4.47Å; M1-Q6 HydrophobicContact CG-CG 3.61Å
2S93.5Very high94.6Very high67 Ų6786.4 Ų86.447%0.46944%0.442SS..  trans-79.6142.7178.6176.60000111.5L5 Q6S2-L5 PolarHBondContact O-N 3.21Å; S2-Q6 WeakPolarHBondContact O-CG 3.33Å; S2-Q6 PolarHBondContact O-N 3.43Å; S2-Q6 VanDerWaalsContact O-N 3.16Å
3S95.3Very high94.7Very high32 Ų3287.2 Ų87.222%0.22446%0.458CS..Hα-helixtrans-66.7-36.8178.850.60000112.4W7 V44S3-W7 WeakPolarHBondContact O-CB 3.48Å; S3-W7 PolarHBondContact O-N 3.35Å; S3-V44 VanDerWaalsContact CB-O 3.28Å; S3-V44 WeakPolarHBondContact CB-O 3.2Å
4H97Very high94.9Very high114 Ų11482.9 Ų82.953%0.52844%0.439SS..Hα-helixtrans-67-41.7178.1-77.2-86.1000111.9W7 M8 F38H4-W7 PolarHBondContact O-N 3.29Å; H4-M8 WeakPolarHBondContact O-CG 3.47Å; H4-M8 PolarHBondContact O-N 2.97Å; H4-F38 AromaticContact CD2-CZ 3.87Å; H4-F38 AromaticContact CE1-CE1 3.58Å; H4-F38 AromaticContact CE1-CZ 3.62Å; H4-F38 AromaticContact ND1-CZ 3.89Å; H4-F38 AromaticContact NE2-CE1 3.72Å; H4-F38 AromaticContact NE2-CZ 3.57Å
5L96.8Very high95Very high100 Ų10084.9 Ų84.952%0.52446%0.462SS..Hα-helixtrans-62.1-50.2176.4179.162.1000110.8M1 S2 W7 M8 V9M1-L5 HydrophobicContact SD-CD2 3.94Å; S2-L5 PolarHBondContact O-N 3.21Å; L5-W7 VanDerWaalsContact C-N 3.26Å; L5-W7 PolarHBondContact O-N 3.33Å; L5-M8 PolarHBondContact O-N 3.27Å; L5-M8 VanDerWaalsContact O-N 3.13Å; L5-V9 PolarHBondContact O-N 3.1Å; L5-V9 VanDerWaalsContact O-N 3.15Å
6Q96.3Very high95.2Very high66 Ų6683.7 Ų83.731%0.30845%0.451SS..Hα-helixtrans-58.4-40.3176.9-70.2177-27.300111.8M1 S2 V9 I10 V44M1-Q6 HydrophobicContact CB-CG 4.47Å; M1-Q6 HydrophobicContact CG-CG 3.61Å; S2-Q6 WeakPolarHBondContact O-CG 3.33Å; S2-Q6 PolarHBondContact O-N 3.43Å; S2-Q6 VanDerWaalsContact O-N 3.16Å; Q6-V9 PolarHBondContact O-N 2.98Å; Q6-I10 WeakPolarHBondContact O-CG1 3.42Å; Q6-I10 PolarHBondContact O-N 3.16Å; Q6-V44 HydrophobicContact CB-CB 4.2Å; Q6-V44 HydrophobicContact CB-CG1 3.81Å; Q6-V44 PolarHBondContact OE1-O 2.81Å
7W97.7Very high95.3Very high32 Ų3280.6 Ų80.612%0.12143%0.434CS..Hα-helixtrans-62.9-42.6176176.7-111.6000112.8S3 H4 L5 V9 I10 R11 N36 F38 N41S3-W7 WeakPolarHBondContact O-CB 3.48Å; S3-W7 PolarHBondContact O-N 3.35Å; H4-W7 PolarHBondContact O-N 3.29Å; L5-W7 VanDerWaalsContact C-N 3.26Å; L5-W7 PolarHBondContact O-N 3.33Å; W7-V9 PolarHBondContact O-N 3.03Å; W7-I10 HydrophobicContact CE3-CG1 4.21Å; W7-I10 PolarHBondContact O-N 2.54Å; W7-R11 HydrophobicContact CD2-CB 4Å; W7-R11 HydrophobicContact CE3-CB 4.28Å; W7-R11 HydrophobicContact CH2-CB 4.07Å; W7-R11 HydrophobicContact CZ2-CB 3.77Å; W7-R11 HydrophobicContact CZ3-CB 4.3Å; W7-R11 WeakPolarHBondContact O-CB 3.37Å; W7-R11 VanDerWaalsContact O-CG 3.27Å; W7-R11 WeakPolarHBondContact O-CG 3.28Å; W7-R11 PolarHBondContact O-N 3.17Å; W7-N36 WeakPolarHBondContact CH2-OD1 3.33Å; W7-F38 HydrophobicContact CB-CD2 3.57Å; W7-F38 HydrophobicContact CB-CE2 3.84Å; W7-F38 AromaticContact CD1-CD2 3.86Å; W7-F38 HydrophobicContact CD2-CB 4.01Å; W7-F38 AromaticContact CD2-CD2 3.89Å; W7-F38 HydrophobicContact CD2-CD2 3.89Å; W7-F38 HydrophobicContact CD2-CG 4.45Å; W7-F38 HydrophobicContact CE3-CD2 4.46Å; W7-F38 HydrophobicContact CG-CB 4.22Å; W7-F38 AromaticContact CG-CD2 3.45Å; W7-F38 HydrophobicContact CG-CD2 3.45Å; W7-F38 VanDerWaalsContact CG-CD2 3.45Å; W7-F38 HydrophobicContact CG-CE2 4.2Å; W7-F38 HydrophobicContact CG-CG 4.23Å; W7-F38 HydrophobicContact CZ2-CB 4.27Å; W7-N41 HydrophobicContact CZ3-CB 4.39Å
8M97.6Very high95.4Very high120 Ų12079.6 Ų79.659%0.59143%0.428SS*.Hα-helixtrans-60.8-34.1176.7-73.5-61.7-72.100112.3H4 L5 R11H4-M8 WeakPolarHBondContact O-CG 3.47Å; H4-M8 PolarHBondContact O-N 2.97Å; L5-M8 PolarHBondContact O-N 3.27Å; L5-M8 VanDerWaalsContact O-N 3.13Å; M8-R11 PolarHBondContact SD-NH1 2.91Å
9V96.3Very high95.5Very high93 Ų9382.1 Ų82.156%0.56444%0.435SS*.Hα-helixtrans-68.8-58.5172.3178.50000110.5L5 Q6 W7 R11 C13L5-V9 PolarHBondContact O-N 3.1Å; L5-V9 VanDerWaalsContact O-N 3.15Å; Q6-V9 PolarHBondContact O-N 2.98Å; W7-V9 PolarHBondContact O-N 3.03Å; V9-R11 PolarHBondContact O-N 3.04Å; V9-C13 PolarHBondContact O-SG 3.01Å
10I96.7Very high95.5Very high40 Ų4086.1 Ų86.121%0.20544%0.443CS..Hα-helixtrans-83.2-15.8-165.572.7173000115.2Q6 W7 N12 C13 S14 V44Q6-I10 WeakPolarHBondContact O-CG1 3.42Å; Q6-I10 PolarHBondContact O-N 3.16Å; W7-I10 HydrophobicContact CE3-CG1 4.21Å; W7-I10 PolarHBondContact O-N 2.54Å; I10-N12 PolarHBondContact O-N 3.23Å; I10-C13 PolarHBondContact O-N 2.77Å; I10-S14 WeakPolarHBondContact O-CB 3.5Å; I10-S14 PolarHBondContact O-N 3.18Å; I10-V44 HydrophobicContact CD1-CG1 3.42Å; I10-V44 VanDerWaalsContact CD1-CG1 3.42Å; I10-V44 HydrophobicContact CG1-CG1 4.2Å
11R95.1Very high95.5Very high97 Ų9789 Ų8937%0.36646%0.46SS..THydrogen-bonded Turntrans-56.1-25.8-169.359.3-174.4-69.1-163.8-3.1114.7W7 M8 V9 N36W7-R11 HydrophobicContact CD2-CB 4Å; W7-R11 HydrophobicContact CE3-CB 4.28Å; W7-R11 HydrophobicContact CH2-CB 4.07Å; W7-R11 HydrophobicContact CZ2-CB 3.77Å; W7-R11 HydrophobicContact CZ3-CB 4.3Å; W7-R11 WeakPolarHBondContact O-CB 3.37Å; W7-R11 VanDerWaalsContact O-CG 3.27Å; W7-R11 WeakPolarHBondContact O-CG 3.28Å; W7-R11 PolarHBondContact O-N 3.17Å; M8-R11 PolarHBondContact SD-NH1 2.91Å; V9-R11 PolarHBondContact O-N 3.04Å; R11-N36 PolarHBondContact O-ND2 3.01Å
12N96Very high96.3Very high103 Ų10385 Ų8555%0.55146%0.463SS*.THydrogen-bonded Turntrans-124.6-8.8-175.1-72.4-25.5000115.1I10I10-N12 PolarHBondContact O-N 3.23Å
13C95.9Very high96.4Very high97 Ų9786.5 Ų86.566%0.65546%0.463SS*.THydrogen-bonded Turntrans-131.812.5-174.765.80000114.3V9 I10V9-C13 PolarHBondContact O-SG 3.01Å; I10-C13 PolarHBondContact O-N 2.77Å
14S97.1Very high96.4Very high26 Ų2688 Ų8818%0.18247%0.47CS..  trans-68141.2176.1-175.80000112I10 F16 L17I10-S14 WeakPolarHBondContact O-CB 3.5Å; I10-S14 PolarHBondContact O-N 3.18Å; S14-F16 PolarHBondContact O-N 3.32Å; S14-F16 PolarHBondContact OG-N 2.99Å; S14-L17 WeakPolarHBondContact O-CB 3.32Å; S14-L17 PolarHBondContact O-N 3.33Å
15S96.9Very high96.4Very high113 Ų11386.5 Ų86.579%0.7946%0.461SS*.THydrogen-bonded Turntrans-62.6-21.5170.856.10000113.7L17S15-L17 VanDerWaalsContact C-N 3.28Å
16F97.5Very high96.5Very high66 Ų6681.8 Ų81.829%0.28944%0.436SS..THydrogen-bonded Turntrans-81.3-8.3175.3-60.3-67.8000113.2S14 S26 T27 E28 L43S14-F16 PolarHBondContact O-N 3.32Å; S14-F16 PolarHBondContact OG-N 2.99Å; F16-S26 VanDerWaalsContact O-CA 3.31Å; F16-S26 WeakPolarHBondContact O-CA 3.45Å; F16-T27 WeakPolarHBondContact CA-OG1 3.4Å; F16-T27 PolarHBondContact O-N 3.38Å; F16-T27 PolarHBondContact O-OG1 3Å; F16-E28 HydrophobicContact CB-CB 3.91Å; F16-E28 HydrophobicContact CD1-CB 4.08Å; F16-E28 HydrophobicContact CD2-CB 3.77Å; F16-E28 HydrophobicContact CE2-CB 4.31Å; F16-E28 HydrophobicContact CG-CB 3.64Å; F16-L43 HydrophobicContact CD2-CD1 3.89Å; F16-L43 HydrophobicContact CE2-CD1 3.77Å
17L97.4Very high96.5Very high31 Ų3182.7 Ų82.716%0.16245%0.446CS..EExtended strand (participates in β ladder)trans-77.5126.9-175-174.558.1000110.7S14 S15 K19 T24 Y25 N36S14-L17 WeakPolarHBondContact O-CB 3.32Å; S14-L17 PolarHBondContact O-N 3.33Å; S15-L17 VanDerWaalsContact C-N 3.28Å; L17-K19 HydrophobicContact CG-CG 4.44Å; L17-T24 HydrophobicContact CD1-CG2 3.44Å; L17-T24 VanDerWaalsContact CD1-CG2 3.44Å; L17-Y25 WeakPolarHBondContact CD1-O 3.5Å; L17-N36 HydrophobicContact CD1-CB 3.81Å; L17-N36 VanDerWaalsContact CD1-ND2 3.27Å; L17-N36 WeakPolarHBondContact CD1-ND2 3.12Å
18I97.3Very high96.4Very high62 Ų6281.6 Ų81.632%0.31844%0.442SS..EExtended strand (participates in β ladder)trans-122.2123.6174-59.2-178.1000108.7R20 T24 Y25 T27I18-R20 HydrophobicContact CG2-CG 4.18Å; I18-T24 WeakPolarHBondContact O-CA 3.49Å; I18-Y25 PolarHBondContact N-O 3.08Å; I18-Y25 PolarHBondContact O-N 2.89Å; I18-T27 HydrophobicContact CD1-CG2 3.4Å; I18-T27 HydrophobicContact CG1-CG2 4.19Å
19K96.6Very high96.2Very high128 Ų12878.8 Ų78.856%0.55743%0.433SS*.EExtended strand (participates in β ladder)trans-116.2117.5173.8-65.1178.5-174.9176.20108.6L17 T24L17-K19 HydrophobicContact CG-CG 4.44Å; K19-T24 HydrophobicContact CG-CG2 4.06Å
20R95.7Very high96.1Very high162 Ų16275.2 Ų75.261%0.61141%0.411SS*.EExtended strand (participates in β ladder)trans-157146.8177.761.3-176.2-179178.30.9110.8I18 G22 Q23I18-R20 HydrophobicContact CG2-CG 4.18Å; R20-G22 VanDerWaalsContact C-N 3.28Å; R20-G22 PolarHBondContact O-N 2.93Å; R20-Q23 PolarHBondContact N-O 3.46Å; R20-Q23 PolarHBondContact O-N 3.44Å; R20-Q23 VanDerWaalsContact O-O 3.1Å
21N95.3Very high96.1Very high147 Ų14773.4 Ų73.479%0.78640%0.402SS*.THydrogen-bonded Turntrans51.643174.2-53.9-11.2000113.5Q23N21-Q23 PolarHBondContact O-N 3.19Å; N21-Q23 VanDerWaalsContact O-N 3.16Å
22G93.9Very high96.2Very high90 Ų9069.3 Ų69.393%0.92839%0.387SS*.THydrogen-bonded Turntrans68.77.7-177.700000115.2R20R20-G22 VanDerWaalsContact C-N 3.28Å; R20-G22 PolarHBondContact O-N 2.93Å
23Q95.4Very high96.2Very high98 Ų9869.3 Ų69.346%0.45838%0.382SS..EExtended strand (participates in β ladder)trans-120.1147-175-64.416946.300111.2R20 N21 Y25R20-Q23 PolarHBondContact N-O 3.46Å; R20-Q23 PolarHBondContact O-N 3.44Å; R20-Q23 VanDerWaalsContact O-O 3.1Å; N21-Q23 PolarHBondContact O-N 3.19Å; N21-Q23 VanDerWaalsContact O-N 3.16Å; Q23-Y25 HydrophobicContact CB-CD2 4.28Å; Q23-Y25 HydrophobicContact CB-CE2 3.54Å; Q23-Y25 PolarHBondContact OE1-OH 3.34Å
24T96.8Very high96.2Very high62 Ų6266.8 Ų66.838%0.3837%0.366SS..EExtended strand (participates in β ladder)trans-120.4121.7-179.1-510000111.4L17 I18 K19 N36L17-T24 HydrophobicContact CD1-CG2 3.44Å; L17-T24 VanDerWaalsContact CD1-CG2 3.44Å; I18-T24 WeakPolarHBondContact O-CA 3.49Å; K19-T24 HydrophobicContact CG-CG2 4.06Å; T24-N36 HydrophobicContact CG2-CB 3.56Å
25Y97.1Very high96.2Very high83 Ų8372.3 Ų72.333%0.32538%0.382SS..EExtended strand (participates in β ladder)trans-119.3161.4-177.7-66.4-81.6000111.3L17 I18 Q23 S34L17-Y25 WeakPolarHBondContact CD1-O 3.5Å; I18-Y25 PolarHBondContact N-O 3.08Å; I18-Y25 PolarHBondContact O-N 2.89Å; Q23-Y25 HydrophobicContact CB-CD2 4.28Å; Q23-Y25 HydrophobicContact CB-CE2 3.54Å; Q23-Y25 PolarHBondContact OE1-OH 3.34Å; Y25-S34 WeakPolarHBondContact CA-O 3.21Å; Y25-S34 WeakPolarHBondContact CD1-O 3.14Å
26S97.3Very high96.2Very high2 Ų268.7 Ų68.71%0.01436%0.355CS..EExtended strand (participates in β ladder)trans-130.6132.7166.7175.70000109.8F16 E28 S34F16-S26 VanDerWaalsContact O-CA 3.31Å; F16-S26 WeakPolarHBondContact O-CA 3.45Å; S26-E28 WeakPolarHBondContact OG-CG 3.41Å; S26-E28 PolarHBondContact OG-N 3.26Å; S26-E28 PolarHBondContact OG-OE2 3.34Å; S26-S34 PolarHBondContact N-O 2.94Å; S26-S34 CarbonylContact O-C 3.56Å; S26-S34 WeakPolarHBondContact O-CA 3.42Å
27T96.6Very high96.1Very high84 Ų8467.3 Ų67.352%0.51535%0.353SS..  trans-95.87.4179.754.70000113.6F16 I18F16-T27 WeakPolarHBondContact CA-OG1 3.4Å; F16-T27 PolarHBondContact O-N 3.38Å; F16-T27 PolarHBondContact O-OG1 3Å; I18-T27 HydrophobicContact CD1-CG2 3.4Å; I18-T27 HydrophobicContact CG1-CG2 4.19Å
28E95.7Very high96.1Very high9 Ų968.2 Ų68.24%0.04236%0.356CS..  trans-62.2148.4-178.572.8-155.2-176.700112.6F16 S26 N31 N41 G42 L43F16-E28 HydrophobicContact CB-CB 3.91Å; F16-E28 HydrophobicContact CD1-CB 4.08Å; F16-E28 HydrophobicContact CD2-CB 3.77Å; F16-E28 HydrophobicContact CE2-CB 4.31Å; F16-E28 HydrophobicContact CG-CB 3.64Å; S26-E28 WeakPolarHBondContact OG-CG 3.41Å; S26-E28 PolarHBondContact OG-N 3.26Å; S26-E28 PolarHBondContact OG-OE2 3.34Å; E28-N31 HydrophobicContact CG-CB 3.74Å; E28-N31 PolarHBondContact OE1-ND2 3.41Å; E28-N41 VanDerWaalsContact CD-ND2 3.27Å; E28-N41 WeakPolarHBondContact OE1-CA 3.34Å; E28-N41 VanDerWaalsContact OE1-CG 3.31Å; E28-N41 PolarHBondContact OE1-ND2 3.05Å; E28-N41 PolarHBondContact OE2-ND2 2.88Å; E28-G42 PolarHBondContact OE1-N 3.22Å; E28-G42 VanDerWaalsContact OE1-N 3.15Å; E28-L43 HydrophobicContact CB-CD1 4.19Å; E28-L43 HydrophobicContact CB-CG 4.43Å
29P93.2Very high96.1Very high61 Ų6171 Ų7140%0.39636%0.362SS..THydrogen-bonded Turntrans-62.8152.3172.627.5-34.3000110.7N31P29-N31 PolarHBondContact O-N 3.28Å
30N95Very high96.1Very high18 Ų1865.9 Ų65.910%0.09634%0.34CS..THydrogen-bonded Turntrans64.318.4-179.6-52.9-42000115.7G50 Y77N30-G50 WeakPolarHBondContact OD1-CA 3.32Å; N30-Y77 VanDerWaalsContact ND2-CE1 3.34Å; N30-Y77 WeakPolarHBondContact ND2-CE1 3.28Å
31N97Very high96.2Very high3 Ų358.2 Ų58.22%0.01631%0.311CS..  trans-93111.4166.1-169.5-37.7000111.1E28 P29 K33 S34 R35 F40 R113E28-N31 HydrophobicContact CG-CB 3.74Å; E28-N31 PolarHBondContact OE1-ND2 3.41Å; P29-N31 PolarHBondContact O-N 3.28Å; N31-K33 PolarHBondContact O-N 2.98Å; N31-K33 PolarHBondContact OD1-N 3.39Å; N31-S34 WeakPolarHBondContact OD1-CA 3.35Å; N31-S34 PolarHBondContact OD1-N 2.89Å; N31-R35 PolarHBondContact ND2-O 3.15Å; N31-F40 WeakPolarHBondContact CA-O 3.49Å; N31-R113 PolarHBondContact O-NH1 3.29Å; N31-R113 VanDerWaalsContact O-NH1 3.09Å
32L96.8Very high96.1Very high10 Ų1051.2 Ų51.25%0.05227%0.274CS..SBendtrans-70.4-29.5-172.7-66174.4000114V49 V51 L106 A109 A110 R113L32-V49 VanDerWaalsContact CD2-O 3.28Å; L32-V49 WeakPolarHBondContact CD2-O 3.42Å; L32-V49 WeakPolarHBondContact CG-O 3.5Å; L32-V51 HydrophobicContact CD2-CB 4.12Å; L32-V51 HydrophobicContact CD2-CG2 3.81Å; L32-L106 HydrophobicContact CD1-CB 3.82Å; L32-L106 HydrophobicContact CD1-CD1 3.86Å; L32-L106 HydrophobicContact CD1-CD2 4.21Å; L32-L106 HydrophobicContact CD1-CG 4.18Å; L32-A109 HydrophobicContact CB-CB 4.14Å; L32-A109 HydrophobicContact CD1-CB 4.02Å; L32-A110 HydrophobicContact CD1-CB 3.93Å; L32-A110 HydrophobicContact CD2-CB 4.37Å; L32-R113 WeakPolarHBondContact O-CD 3.28Å; L32-R113 PolarHBondContact O-NH1 3.32Å
33K96.4Very high96.2Very high103 Ų10349.8 Ų49.845%0.44825%0.245SC..SBendtrans-110.6-1.8-176.8-67.6-162.2179.3-173.80113.5N31 R35 F40 A109N31-K33 PolarHBondContact O-N 2.98Å; N31-K33 PolarHBondContact OD1-N 3.39Å; K33-R35 HydrophobicContact CB-CG 4.27Å; K33-R35 PolarHBondContact O-N 3.22Å; K33-R35 VanDerWaalsContact O-N 3.08Å; K33-F40 HydrophobicContact CB-CD2 4.43Å; K33-F40 HydrophobicContact CB-CG 4.36Å; K33-F40 HydrophobicContact CD-CD1 4.39Å; K33-F40 HydrophobicContact CD-CD2 4.32Å; K33-F40 HydrophobicContact CD-CE1 3.93Å; K33-F40 HydrophobicContact CD-CE2 3.85Å; K33-F40 HydrophobicContact CD-CZ 3.65Å; K33-F40 HydrophobicContact CG-CD1 4.21Å; K33-F40 HydrophobicContact CG-CE1 4.17Å; K33-F40 HydrophobicContact CG-CG 4.45Å; K33-F40 HydrophobicContact CG-CZ 4.35Å; K33-A109 HydrophobicContact CG-CB 4.35Å
34S95.9Very high96.2Very high45 Ų4545.4 Ų45.432%0.31523%0.225SC..  trans53.923.5-174.1-50.80000113.9Y25 S26 N31Y25-S34 WeakPolarHBondContact CA-O 3.21Å; Y25-S34 WeakPolarHBondContact CD1-O 3.14Å; S26-S34 PolarHBondContact N-O 2.94Å; S26-S34 CarbonylContact O-C 3.56Å; S26-S34 WeakPolarHBondContact O-CA 3.42Å; N31-S34 WeakPolarHBondContact OD1-CA 3.35Å; N31-S34 PolarHBondContact OD1-N 2.89Å
35R96.1Very high96.1Very high141 Ų14143.9 Ų43.953%0.53221%0.213SC..BIsolated β-bridgetrans-98141179.2-70.7-179.566.4-172-2.5109.3N31 K33 S37N31-R35 PolarHBondContact ND2-O 3.15Å; K33-R35 HydrophobicContact CB-CG 4.27Å; K33-R35 PolarHBondContact O-N 3.22Å; K33-R35 VanDerWaalsContact O-N 3.08Å; R35-S37 PolarHBondContact O-N 3.24Å
36N96.8Very high96Very high38 Ų3847.1 Ų47.120%0.20323%0.229CC..  trans-72.598.2169.2-170.332.3000109.4W7 R11 L17 T24W7-N36 WeakPolarHBondContact CH2-OD1 3.33Å; R11-N36 PolarHBondContact O-ND2 3.01Å; L17-N36 HydrophobicContact CD1-CB 3.81Å; L17-N36 VanDerWaalsContact CD1-ND2 3.27Å; L17-N36 WeakPolarHBondContact CD1-ND2 3.12Å; T24-N36 HydrophobicContact CG2-CB 3.56Å
37S96.4Very high95.9Very high37 Ų3751.8 Ų51.826%0.25925%0.249SC..  trans-156.8138.9-178.3174.30000109.4R35 R39 F40 N41R35-S37 PolarHBondContact O-N 3.24Å; S37-R39 PolarHBondContact O-N 2.91Å; S37-F40 PolarHBondContact O-N 3.48Å; S37-F40 VanDerWaalsContact O-N 3.15Å; S37-N41 PolarHBondContact O-N 3.47Å; S37-N41 VanDerWaalsContact O-N 3.14Å
38F97Very high95.9Very high49 Ų4947.9 Ų47.922%0.21523%0.225CC..G310 helixtrans-50-46.7177.8-179.2-116.6000112.2H4 W7 F40 N41 V44 H45H4-F38 AromaticContact CD2-CZ 3.87Å; H4-F38 AromaticContact CE1-CE1 3.58Å; H4-F38 AromaticContact CE1-CZ 3.62Å; H4-F38 AromaticContact ND1-CZ 3.89Å; H4-F38 AromaticContact NE2-CE1 3.72Å; H4-F38 AromaticContact NE2-CZ 3.57Å; W7-F38 HydrophobicContact CB-CD2 3.57Å; W7-F38 HydrophobicContact CB-CE2 3.84Å; W7-F38 AromaticContact CD1-CD2 3.86Å; W7-F38 HydrophobicContact CD2-CB 4.01Å; W7-F38 AromaticContact CD2-CD2 3.89Å; W7-F38 HydrophobicContact CD2-CD2 3.89Å; W7-F38 HydrophobicContact CD2-CG 4.45Å; W7-F38 HydrophobicContact CE3-CD2 4.46Å; W7-F38 HydrophobicContact CG-CB 4.22Å; W7-F38 AromaticContact CG-CD2 3.45Å; W7-F38 HydrophobicContact CG-CD2 3.45Å; W7-F38 VanDerWaalsContact CG-CD2 3.45Å; W7-F38 HydrophobicContact CG-CE2 4.2Å; W7-F38 HydrophobicContact CG-CG 4.23Å; W7-F38 HydrophobicContact CZ2-CB 4.27Å; F38-F40 VanDerWaalsContact C-N 3.35Å; F38-F40 PolarHBondContact O-N 3.25Å; F38-N41 PolarHBondContact O-N 3.44Å; F38-V44 HydrophobicContact CD2-CG2 4.24Å; F38-V44 HydrophobicContact CE2-CG2 4.1Å; F38-H45 AromaticContact CE1-CE1 3.69Å; F38-H45 AromaticContact CE2-CE1 3.78Å; F38-H45 AromaticContact CZ-CE1 3.47Å; F38-H45 VanDerWaalsContact CZ-CE1 3.47Å; F38-H45 WeakPolarHBondContact CZ-CE1 3.27Å; F38-H45 PolarHBondContact O-CD2 2.94Å; F38-H45 PolarHBondContact O-NE2 2.97Å
39R96.8Very high96Very high120 Ų12047.5 Ų47.545%0.45322%0.223SC..G310 helixtrans-61.9-39.7-176.1-178.2173.6175.9179.9-6.1113S37 R103 D105S37-R39 PolarHBondContact O-N 2.91Å; R39-R103 PolarHBondContact O-NH1 2.96Å; R39-R103 VanDerWaalsContact O-NH1 3.1Å; R39-R103 PolarHBondContact O-NH2 3.5Å; R39-D105 IonicContact CZ-OD2 3.82Å; R39-D105 IonicContact NE-OD2 3.01Å; R39-D105 PolarHBondContact NE-OD2 3.08Å; R39-D105 PolarHBondContact NH2-O 3.46Å; R39-D105 IonicContact NH2-OD2 3.9Å
40F97.3Very high96.2Very high21 Ų2144.7 Ų44.79%0.09221%0.205CC..G310 helixtrans-92.8-2.4-174.5-58.3-62.5000113.3N31 K33 S37 F38 G42 L106 A109N31-F40 WeakPolarHBondContact CA-O 3.49Å; K33-F40 HydrophobicContact CB-CD2 4.43Å; K33-F40 HydrophobicContact CB-CG 4.36Å; K33-F40 HydrophobicContact CD-CD1 4.39Å; K33-F40 HydrophobicContact CD-CD2 4.32Å; K33-F40 HydrophobicContact CD-CE1 3.93Å; K33-F40 HydrophobicContact CD-CE2 3.85Å; K33-F40 HydrophobicContact CD-CZ 3.65Å; K33-F40 HydrophobicContact CG-CD1 4.21Å; K33-F40 HydrophobicContact CG-CE1 4.17Å; K33-F40 HydrophobicContact CG-CG 4.45Å; K33-F40 HydrophobicContact CG-CZ 4.35Å; S37-F40 PolarHBondContact O-N 3.48Å; S37-F40 VanDerWaalsContact O-N 3.15Å; F38-F40 VanDerWaalsContact C-N 3.35Å; F38-F40 PolarHBondContact O-N 3.25Å; F40-G42 PolarHBondContact O-N 2.93Å; F40-L106 HydrophobicContact CD1-CD2 3.61Å; F40-L106 HydrophobicContact CE1-CD2 3.74Å; F40-A109 HydrophobicContact CE1-CB 4.37Å
41N97.1Very high96.4Very high2 Ų243.9 Ų43.91%0.01120%0.201CC..  trans-67.1132-174.6-171.4-77.2000112.4W7 E28 S37 F38 L43 V44 H45W7-N41 HydrophobicContact CZ3-CB 4.39Å; E28-N41 VanDerWaalsContact CD-ND2 3.27Å; E28-N41 WeakPolarHBondContact OE1-CA 3.34Å; E28-N41 VanDerWaalsContact OE1-CG 3.31Å; E28-N41 PolarHBondContact OE1-ND2 3.05Å; E28-N41 PolarHBondContact OE2-ND2 2.88Å; S37-N41 PolarHBondContact O-N 3.47Å; S37-N41 VanDerWaalsContact O-N 3.14Å; F38-N41 PolarHBondContact O-N 3.44Å; N41-L43 PolarHBondContact OD1-N 3.26Å; N41-V44 HydrophobicContact CB-CG2 3.91Å; N41-V44 PolarHBondContact OD1-N 2.67Å; N41-V44 VanDerWaalsContact OD1-N 3.07Å; N41-H45 PolarHBondContact O-CD2 3.39Å
42G94.6Very high96.3Very high0 Ų046.9 Ų46.90%021%0.214CC..SBendtrans-88.5-10-175.400000115.4E28 F40 T48E28-G42 PolarHBondContact OE1-N 3.22Å; E28-G42 VanDerWaalsContact OE1-N 3.15Å; F40-G42 PolarHBondContact O-N 2.93Å; G42-T48 WeakPolarHBondContact O-CG2 3.43Å
43L94.1Very high96.3Very high60 Ų6050.2 Ų50.231%0.31424%0.237SC..SBendtrans-104.8-43.9-169.7-58.2176.6000111.9F16 E28 N41F16-L43 HydrophobicContact CD2-CD1 3.89Å; F16-L43 HydrophobicContact CE2-CD1 3.77Å; E28-L43 HydrophobicContact CB-CD1 4.19Å; E28-L43 HydrophobicContact CB-CG 4.43Å; N41-L43 PolarHBondContact OD1-N 3.26Å
44V95.6Very high96.2Very high6 Ų645.6 Ų45.64%0.03622%0.218CC..SBendtrans-77.2-24.3-171.6-56.40000114.5S3 Q6 I10 F38 N41S3-V44 VanDerWaalsContact CB-O 3.28Å; S3-V44 WeakPolarHBondContact CB-O 3.2Å; Q6-V44 HydrophobicContact CB-CB 4.2Å; Q6-V44 HydrophobicContact CB-CG1 3.81Å; Q6-V44 PolarHBondContact OE1-O 2.81Å; I10-V44 HydrophobicContact CD1-CG1 3.42Å; I10-V44 VanDerWaalsContact CD1-CG1 3.42Å; I10-V44 HydrophobicContact CG1-CG1 4.2Å; F38-V44 HydrophobicContact CD2-CG2 4.24Å; F38-V44 HydrophobicContact CE2-CG2 4.1Å; N41-V44 HydrophobicContact CB-CG2 3.91Å; N41-V44 PolarHBondContact OD1-N 2.67Å; N41-V44 VanDerWaalsContact OD1-N 3.07Å
45H95.9Very high95.9Very high29 Ų2948.6 Ų48.613%0.13425%0.245CC..  trans-86.9145-174.8-70.6-68.2000112.2F38 N41 K47 T48 K65F38-H45 AromaticContact CE1-CE1 3.69Å; F38-H45 AromaticContact CE2-CE1 3.78Å; F38-H45 AromaticContact CZ-CE1 3.47Å; F38-H45 VanDerWaalsContact CZ-CE1 3.47Å; F38-H45 WeakPolarHBondContact CZ-CE1 3.27Å; F38-H45 PolarHBondContact O-CD2 2.94Å; F38-H45 PolarHBondContact O-NE2 2.97Å; N41-H45 PolarHBondContact O-CD2 3.39Å; H45-K47 VanDerWaalsContact C-N 3.32Å; H45-K47 WeakPolarHBondContact CB-O 3.42Å; H45-T48 HydrophobicContact CB-CG2 3.89Å; H45-K65 PolarHBondContact O-NZ 3.48Å; H45-K65 VanDerWaalsContact O-NZ 3.1Å
46K94.7Very high95.5Very high151 Ų15148.1 Ų48.166%0.65725%0.254SS*.SBendtrans-67.7-33172.8-65.8-178.5180177.70112.3Q70K46-Q70 PolarHBondContact O-NE2 2.92Å
47K96.1Very high95Very high101 Ų10148.3 Ų48.344%0.43927%0.265SS..SBendtrans-115.1125.5176.2-67.4-176.6-179.4178.60109.5H45 Y102 R103H45-K47 VanDerWaalsContact C-N 3.32Å; H45-K47 WeakPolarHBondContact CB-O 3.42Å; K47-Y102 VanDerWaalsContact CA-OH 3.31Å; K47-Y102 WeakPolarHBondContact CA-OH 3.38Å; K47-Y102 HydrophobicContact CB-CE1 3.9Å; K47-Y102 HydrophobicContact CB-CE2 4.05Å; K47-Y102 HydrophobicContact CD-CD2 4Å; K47-Y102 HydrophobicContact CD-CE2 3.88Å; K47-Y102 HydrophobicContact CG-CD2 4.39Å; K47-Y102 HydrophobicContact CG-CE2 3.75Å; K47-R103 HydrophobicContact CB-CG 3.95Å; K47-R103 WeakPolarHBondContact O-CD 3.08Å
48T96.6Very high94.7Very high2 Ų253.4 Ų53.41%0.01228%0.282CS..  trans-138148.1178.863.10000110.6G42 H45 K65 Y102G42-T48 WeakPolarHBondContact O-CG2 3.43Å; H45-T48 HydrophobicContact CB-CG2 3.89Å; T48-K65 HydrophobicContact CG2-CD 4.38Å; T48-K65 PolarHBondContact O-N 3Å; T48-K65 WeakPolarHBondContact OG1-CB 3.43Å; T48-Y102 PolarHBondContact N-OH 3.02Å; T48-Y102 WeakPolarHBondContact O-CE1 3.48Å; T48-Y102 PolarHBondContact O-OH 2.83Å
49V97.6Very high94.5Very high1 Ų151.3 Ų51.31%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-123.1111.5177.4-178.90000107.1L32 V63 L64 I97 Y102 R103 L106 A110L32-V49 VanDerWaalsContact CD2-O 3.28Å; L32-V49 WeakPolarHBondContact CD2-O 3.42Å; L32-V49 WeakPolarHBondContact CG-O 3.5Å; V49-V63 CarbonylContact C-O 3.6Å; V49-V63 WeakPolarHBondContact CA-O 3.28Å; V49-L64 HydrophobicContact CB-CD2 4.39Å; V49-L64 HydrophobicContact CG1-CD2 4.27Å; V49-L64 HydrophobicContact CG2-CD2 3.91Å; V49-I97 HydrophobicContact CG1-CD1 4.12Å; V49-Y102 HydrophobicContact CG2-CD1 3.69Å; V49-Y102 HydrophobicContact CG2-CE1 3.74Å; V49-R103 HydrophobicContact CG2-CB 4.41Å; V49-L106 HydrophobicContact CB-CD1 4.3Å; V49-A110 HydrophobicContact CG1-CB 4.21Å
50G97.4Very high94.5Very high1 Ų145.6 Ų45.61%0.0125%0.253CS..EExtended strand (participates in β ladder)trans-99.5148.616900000111N30 V62 V63N30-G50 WeakPolarHBondContact OD1-CA 3.32Å; G50-V62 WeakPolarHBondContact O-CA 3.46Å; G50-V63 PolarHBondContact N-O 3.03Å; G50-V63 PolarHBondContact O-N 2.98Å
51V97.6Very high94.6Very high2 Ų245.3 Ų45.31%0.01225%0.252CS..EExtended strand (participates in β ladder)trans-134.9117.5172-176.60000107.1L32 V60 V61 L93 A110 R113 A114 I117L32-V51 HydrophobicContact CD2-CB 4.12Å; L32-V51 HydrophobicContact CD2-CG2 3.81Å; V51-V60 HydrophobicContact CG1-CG1 3.26Å; V51-V61 WeakPolarHBondContact CA-O 3.45Å; V51-L93 HydrophobicContact CG2-CD2 4.13Å; V51-A110 HydrophobicContact CG2-CB 4Å; V51-R113 HydrophobicContact CB-CB 4.43Å; V51-R113 HydrophobicContact CB-CG 4.19Å; V51-R113 HydrophobicContact CG1-CG 4.42Å; V51-R113 WeakPolarHBondContact O-CD 3.41Å; V51-R113 PolarHBondContact O-NE 3.15Å; V51-A114 HydrophobicContact CG1-CB 3.9Å; V51-I117 HydrophobicContact CG1-CD1 3.88Å
52Q96Very high94.6Very high65 Ų6545.2 Ų45.230%0.30425%0.252SS..EExtended strand (participates in β ladder)trans-128.8153.9-173.5-69.6177-12.900110.1V61Q52-V61 PolarHBondContact N-O 2.97Å; Q52-V61 PolarHBondContact O-N 3.2Å
53P95.7Very high94.7Very high80 Ų8045.4 Ų45.452%0.51925%0.253SS..EExtended strand (participates in β ladder)trans-62.4146.1167.228.6-34000110.2I117P53-I117 HydrophobicContact CB-CG2 4.01Å
54A94.7Very high94.9Very high6 Ų644 Ų445%0.0525%0.246CC..  trans-68.7150.7167.700000110.8D56 G57 K58 G59 V61 T81A54-D56 PolarHBondContact O-N 3.08Å; A54-G57 PolarHBondContact O-N 2.93Å; A54-K58 VanDerWaalsContact CB-O 3.31Å; A54-K58 WeakPolarHBondContact CB-O 3.29Å; A54-G59 PolarHBondContact N-O 3.35Å; A54-V61 HydrophobicContact CB-CG2 4.03Å; A54-T81 HydrophobicContact CB-CG2 4.38Å
55A90.4Very high94.9Very high108 Ų10844.6 Ų44.689%0.89325%0.248SC*.THydrogen-bonded Turntrans-59.8-36.2-179.900000112G57A55-G57 PolarHBondContact O-N 3.2Å
56D87.2Confident94.8Very high132 Ų13249.1 Ų49.171%0.70626%0.264SS*.THydrogen-bonded Turntrans-756.9-178.2-44-40.9000113.5A54 K58A54-D56 PolarHBondContact O-N 3.08Å; D56-K58 PolarHBondContact O-N 3.15Å
57G85.4Confident94.8Very high42 Ų4253.4 Ų53.443%0.43328%0.276SS..SBendtrans70.4-3.4-176.900000114.7A54 A55 Q121A54-G57 PolarHBondContact O-N 2.93Å; A55-G57 PolarHBondContact O-N 3.2Å; G57-Q121 WeakPolarHBondContact O-CG 3.36Å; G57-Q121 PolarHBondContact O-NE2 3.05Å
58K90.7Very high94.7Very high143 Ų14352.2 Ų52.262%0.62229%0.285SS*.SBendtrans-119.1119.7-177.7-64.8177.1-174.91730111.3A54 D56A54-K58 VanDerWaalsContact CB-O 3.31Å; A54-K58 WeakPolarHBondContact CB-O 3.29Å; D56-K58 PolarHBondContact O-N 3.15Å
59G93.7Very high94.4Very high5 Ų553.1 Ų53.15%0.05230%0.295CS..SBendtrans86.9-171.8176.400000113.6A54 I82 Q121A54-G59 PolarHBondContact N-O 3.35Å; G59-I82 WeakPolarHBondContact CA-O 3.21Å; G59-Q121 PolarHBondContact O-NE2 2.8Å; G59-Q121 PolarHBondContact O-OE1 2.85Å
60V97.1Very high94.1Very high1 Ų156.1 Ų56.11%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-129.8136.7-166.7-1800000110.1V51 I82 T89 A114 I117 L118V51-V60 HydrophobicContact CG1-CG1 3.26Å; V60-I82 PolarHBondContact N-O 3.14Å; V60-I82 PolarHBondContact O-N 2.86Å; V60-T89 HydrophobicContact CB-CG2 4.38Å; V60-T89 HydrophobicContact CG2-CG2 4.31Å; V60-A114 HydrophobicContact CG1-CB 4.42Å; V60-I117 HydrophobicContact CG2-CB 4.36Å; V60-I117 HydrophobicContact CG2-CG2 3.94Å; V60-L118 HydrophobicContact CG2-CD2 3.97Å; V60-L118 HydrophobicContact CG2-CG 3.96Å
61V97.8Very high93.9Very high14 Ų1463.1 Ų63.19%0.08534%0.341CS..EExtended strand (participates in β ladder)trans-99.4121.5172.1-179.50000109.1V51 Q52 A54 V63 K79 T81V51-V61 WeakPolarHBondContact CA-O 3.45Å; Q52-V61 PolarHBondContact N-O 2.97Å; Q52-V61 PolarHBondContact O-N 3.2Å; A54-V61 HydrophobicContact CB-CG2 4.03Å; V61-V63 HydrophobicContact CG1-CG2 4.19Å; V61-K79 HydrophobicContact CG1-CB 3.89Å; V61-K79 HydrophobicContact CG1-CD 4.43Å; V61-K79 HydrophobicContact CG1-CG 4.31Å; V61-T81 HydrophobicContact CG2-CG2 4.22Å
62V97.3Very high93.8Very high1 Ų168.5 Ų68.51%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-94122.5172.6-173.80000108G50 L64 K79 V80 I82 L93G50-V62 WeakPolarHBondContact O-CA 3.46Å; V62-L64 HydrophobicContact CG1-CD2 4.17Å; V62-L64 HydrophobicContact CG1-CG 4.26Å; V62-K79 CarbonylContact O-C 3.55Å; V62-K79 WeakPolarHBondContact O-CA 3.47Å; V62-V80 PolarHBondContact N-O 3.42Å; V62-V80 PolarHBondContact O-N 3.02Å; V62-I82 HydrophobicContact CG2-CD1 3.84Å; V62-L93 HydrophobicContact CG1-CD1 3.86Å; V62-L93 HydrophobicContact CG2-CD1 3.82Å
63V97.6Very high93.7Very high4 Ų470.2 Ų70.22%0.02438%0.381CS..EExtended strand (participates in β ladder)trans-106124.3179.4-172.60000108.6V49 G50 V61 Y77 V78 K79V49-V63 CarbonylContact C-O 3.6Å; V49-V63 WeakPolarHBondContact CA-O 3.28Å; G50-V63 PolarHBondContact N-O 3.03Å; G50-V63 PolarHBondContact O-N 2.98Å; V61-V63 HydrophobicContact CG1-CG2 4.19Å; V63-Y77 HydrophobicContact CG1-CD1 3.9Å; V63-Y77 HydrophobicContact CG1-CG 4.23Å; V63-V78 CarbonylContact C-O 3.59Å; V63-V78 WeakPolarHBondContact CA-O 3.32Å; V63-K79 HydrophobicContact CG2-CG 4.27Å
64L97.1Very high93.7Very high29 Ų2971.3 Ų71.315%0.15240%0.397CS..EExtended strand (participates in β ladder)trans-122.6142179.2-60.4175000109.9V49 V62 Y77 V78 I96 Y102V49-L64 HydrophobicContact CB-CD2 4.39Å; V49-L64 HydrophobicContact CG1-CD2 4.27Å; V49-L64 HydrophobicContact CG2-CD2 3.91Å; V62-L64 HydrophobicContact CG1-CD2 4.17Å; V62-L64 HydrophobicContact CG1-CG 4.26Å; L64-Y77 CarbonylContact O-C 3.56Å; L64-Y77 WeakPolarHBondContact O-CA 3.45Å; L64-V78 PolarHBondContact N-O 3.09Å; L64-V78 PolarHBondContact O-N 2.73Å; L64-I96 HydrophobicContact CD1-CG2 3.78Å; L64-Y102 HydrophobicContact CD2-CD1 4.18Å; L64-Y102 HydrophobicContact CD2-CE1 3.97Å
65K96.1Very high93.7Very high20 Ų2074.4 Ų74.49%0.08742%0.415CS..EExtended strand (participates in β ladder)trans-86.6129175-155.7171.7-176.8-175.60110.8H45 T48 S76 Y77 Y102H45-K65 PolarHBondContact O-NZ 3.48Å; H45-K65 VanDerWaalsContact O-NZ 3.1Å; T48-K65 HydrophobicContact CG2-CD 4.38Å; T48-K65 PolarHBondContact O-N 3Å; T48-K65 WeakPolarHBondContact OG1-CB 3.43Å; K65-S76 CarbonylContact C-O 3.6Å; K65-S76 WeakPolarHBondContact CA-O 3.48Å; K65-S76 WeakPolarHBondContact CG-O 3.44Å; K65-Y77 HydrophobicContact CB-CD1 4.18Å; K65-Y77 HydrophobicContact CB-CE1 4.07Å; K65-Y77 HydrophobicContact CD-CE1 4.03Å; K65-Y77 HydrophobicContact CG-CD1 4.15Å; K65-Y77 HydrophobicContact CG-CE1 3.83Å; K65-Y102 PolarHBondContact N-OH 3.44Å; K65-Y102 PolarHBondContact O-OH 2.72Å
66R95Very high93.9Very high124 Ų12469.4 Ų69.447%0.46837%0.374SS..  trans-67.3147.9175.3-66.4-168.6172.8157.7-9.3110.2Q70 T75 S76 V78R66-Q70 PolarHBondContact O-NE2 2.93Å; R66-T75 WeakPolarHBondContact CD-O 2.86Å; R66-T75 PolarHBondContact NH1-O 3.48Å; R66-T75 VanDerWaalsContact NH1-O 3.14Å; R66-S76 PolarHBondContact N-O 2.72Å; R66-V78 HydrophobicContact CG-CG2 3.57Å
67R93.8Very high94.4Very high240 Ų24066.5 Ų66.591%0.90635%0.353SS*.SBendtrans-66.5-44.4174.9-177.5-178.7176.9-178-1.1111.6
68A93.2Very high94.9Very high76 Ų7666.9 Ų66.963%0.62835%0.347SS*.SBendtrans-83.2159.4177.200000111.6Q70A68-Q70 PolarHBondContact O-N 3.1Å
69G92.1Very high95.1Very high22 Ų2267.2 Ų67.223%0.22735%0.349CS..  trans7030.2174.400000114.5H71 K72G69-H71 PolarHBondContact O-N 2.85Å; G69-K72 PolarHBondContact O-N 3.24Å
70Q91.2Very high95.3Very high64 Ų6469.6 Ų69.630%0.29936%0.362SS..THydrogen-bonded Turntrans-59-29.6179.8-70.4-74.5-46.400113.4K46 R66 A68 K72K46-Q70 PolarHBondContact O-NE2 2.92Å; R66-Q70 PolarHBondContact O-NE2 2.93Å; A68-Q70 PolarHBondContact O-N 3.1Å; Q70-K72 VanDerWaalsContact C-N 3.32Å
71H92.9Very high95.2Very high147 Ų14773.7 Ų73.768%0.68139%0.387SS*.THydrogen-bonded Turntrans-89.44.8176.667.490.3000113G69 P73G69-H71 PolarHBondContact O-N 2.85Å; H71-P73 WeakPolarHBondContact O-CD 3.41Å
72K95.6Very high95.2Very high116 Ų11673.6 Ų73.650%0.50439%0.386SS..  trans-11682.6179.9-59.1-170.6-179.9-173.40109.2G69 Q70 A74 T75 S76G69-K72 PolarHBondContact O-N 3.24Å; Q70-K72 VanDerWaalsContact C-N 3.32Å; K72-A74 PolarHBondContact O-N 3.06Å; K72-A74 VanDerWaalsContact O-N 3.14Å; K72-T75 PolarHBondContact O-N 3.03Å; K72-T75 VanDerWaalsContact O-N 3.11Å; K72-S76 VanDerWaalsContact O-CB 3.3Å; K72-S76 WeakPolarHBondContact O-CB 3.24Å; K72-S76 PolarHBondContact O-N 2.92Å
73P93Very high95Very high101 Ų10178.6 Ų78.666%0.65641%0.413SS*.G310 helixtrans-52.9-41-172.4-2835.2000113.5H71 T75 S76H71-P73 WeakPolarHBondContact O-CD 3.41Å; P73-T75 VanDerWaalsContact C-N 3.29Å; P73-T75 PolarHBondContact O-N 2.9Å; P73-S76 PolarHBondContact O-N 3.34Å; P73-S76 PolarHBondContact O-OG 2.76Å
74A95.4Very high94.9Very high103 Ų10384.5 Ų84.585%0.85144%0.438SS*.G310 helixtrans-57-36.1-178.900000114K72K72-A74 PolarHBondContact O-N 3.06Å; K72-A74 VanDerWaalsContact O-N 3.14Å
75T95.3Very high94.8Very high71 Ų7188.5 Ų88.544%0.43646%0.46SS..G310 helixtrans-112.7-0.7-175.159.30000113.5R66 K72 P73 Y77R66-T75 WeakPolarHBondContact CD-O 2.86Å; R66-T75 PolarHBondContact NH1-O 3.48Å; R66-T75 VanDerWaalsContact NH1-O 3.14Å; K72-T75 PolarHBondContact O-N 3.03Å; K72-T75 VanDerWaalsContact O-N 3.11Å; P73-T75 VanDerWaalsContact C-N 3.29Å; P73-T75 PolarHBondContact O-N 2.9Å; T75-Y77 VanDerWaalsContact C-N 3.27Å; T75-Y77 PolarHBondContact O-N 3.36Å
76S95.3Very high94.7Very high3 Ų390 Ų902%0.02147%0.472CS..SBendtrans-71.7-15.4-17566.90000114.5K65 R66 K72 P73K65-S76 CarbonylContact C-O 3.6Å; K65-S76 WeakPolarHBondContact CA-O 3.48Å; K65-S76 WeakPolarHBondContact CG-O 3.44Å; R66-S76 PolarHBondContact N-O 2.72Å; K72-S76 VanDerWaalsContact O-CB 3.3Å; K72-S76 WeakPolarHBondContact O-CB 3.24Å; K72-S76 PolarHBondContact O-N 2.92Å; P73-S76 PolarHBondContact O-N 3.34Å; P73-S76 PolarHBondContact O-OG 2.76Å
77Y96.3Very high94.8Very high70 Ų7093.6 Ų93.628%0.27549%0.486SS..EExtended strand (participates in β ladder)trans-115.7144.1-177.9-62.6-74.8000112.3N30 V63 L64 K65 T75N30-Y77 VanDerWaalsContact ND2-CE1 3.34Å; N30-Y77 WeakPolarHBondContact ND2-CE1 3.28Å; V63-Y77 HydrophobicContact CG1-CD1 3.9Å; V63-Y77 HydrophobicContact CG1-CG 4.23Å; L64-Y77 CarbonylContact O-C 3.56Å; L64-Y77 WeakPolarHBondContact O-CA 3.45Å; K65-Y77 HydrophobicContact CB-CD1 4.18Å; K65-Y77 HydrophobicContact CB-CE1 4.07Å; K65-Y77 HydrophobicContact CD-CE1 4.03Å; K65-Y77 HydrophobicContact CG-CD1 4.15Å; K65-Y77 HydrophobicContact CG-CE1 3.83Å; T75-Y77 VanDerWaalsContact C-N 3.27Å; T75-Y77 PolarHBondContact O-N 3.36Å
78V96.1Very high94.9Very high51 Ų5183.5 Ų83.531%0.30945%0.454SS..EExtended strand (participates in β ladder)trans-115132.9168.61780000108.1V63 L64 R66 V80V63-V78 CarbonylContact C-O 3.59Å; V63-V78 WeakPolarHBondContact CA-O 3.32Å; L64-V78 PolarHBondContact N-O 3.09Å; L64-V78 PolarHBondContact O-N 2.73Å; R66-V78 HydrophobicContact CG-CG2 3.57Å; V78-V80 HydrophobicContact CG1-CG2 4.31Å
79K96.5Very high95.1Very high149 Ų14980 Ų8065%0.64842%0.424SS*.EExtended strand (participates in β ladder)trans-107.5132175.8-60.7-176.4-178174.90108.8V61 V62 V63V61-K79 HydrophobicContact CG1-CB 3.89Å; V61-K79 HydrophobicContact CG1-CD 4.43Å; V61-K79 HydrophobicContact CG1-CG 4.31Å; V62-K79 CarbonylContact O-C 3.55Å; V62-K79 WeakPolarHBondContact O-CA 3.47Å; V63-K79 HydrophobicContact CG2-CG 4.27Å
80V96.2Very high95.4Very high56 Ų5680.6 Ų80.634%0.33942%0.423SS..EExtended strand (participates in β ladder)trans-122.4112.5174.5-178.80000107.7V62 V78 I82V62-V80 PolarHBondContact N-O 3.42Å; V62-V80 PolarHBondContact O-N 3.02Å; V78-V80 HydrophobicContact CG1-CG2 4.31Å; V80-I82 HydrophobicContact CG1-CG1 4.37Å
81T96.6Very high95.7Very high87 Ų8780.4 Ų80.453%0.53442%0.423SS..EExtended strand (participates in β ladder)trans-84.1129.4177-53.40000109.6A54 V61A54-T81 HydrophobicContact CB-CG2 4.38Å; V61-T81 HydrophobicContact CG2-CG2 4.22Å
82I96.2Very high95.9Very high11 Ų1175 Ų756%0.05640%0.402CS..EExtended strand (participates in β ladder)trans-120.8104.6176.6-52.2176.4000108G59 V60 V62 V80 K84 T89 I96G59-I82 WeakPolarHBondContact CA-O 3.21Å; V60-I82 PolarHBondContact N-O 3.14Å; V60-I82 PolarHBondContact O-N 2.86Å; V62-I82 HydrophobicContact CG2-CD1 3.84Å; V80-I82 HydrophobicContact CG1-CG1 4.37Å; I82-K84 HydrophobicContact CG2-CB 4.32Å; I82-K84 HydrophobicContact CG2-CD 4.3Å; I82-K84 HydrophobicContact CG2-CG 4.12Å; I82-T89 HydrophobicContact CB-CG2 4.3Å; I82-T89 HydrophobicContact CG2-CG2 3.89Å; I82-I96 HydrophobicContact CD1-CD1 4.1Å
83N94.8Very high96Very high107 Ų10769.6 Ų69.657%0.57238%0.379SS*.  trans-111.678.9173.5-169.26.7000109.2
84K94.3Very high96.3Very high128 Ų12868.6 Ų68.656%0.55736%0.362SS*.SBendtrans-133.4173.2178.9-60.2-175.8179.4-174.50109.7I82 A88 T89I82-K84 HydrophobicContact CG2-CB 4.32Å; I82-K84 HydrophobicContact CG2-CD 4.3Å; I82-K84 HydrophobicContact CG2-CG 4.12Å; K84-A88 HydrophobicContact CB-CB 4.01Å; K84-A88 HydrophobicContact CD-CB 4.27Å; K84-T89 PolarHBondContact O-OG1 3.19Å
85N94.3Very high96.4Very high112 Ų11268.3 Ų68.360%0.59934%0.343SS*.  trans-56.8158.6171.672.344.1000112R87 A88 T89N85-R87 VanDerWaalsContact C-N 3.32Å; N85-R87 PolarHBondContact O-N 3.24Å; N85-R87 PolarHBondContact OD1-N 3.18Å; N85-A88 PolarHBondContact O-N 3.46Å; N85-A88 WeakPolarHBondContact OD1-CB 3.13Å; N85-A88 PolarHBondContact OD1-N 3.5Å; N85-T89 WeakPolarHBondContact O-CB 3.27Å; N85-T89 PolarHBondContact O-N 2.98Å; N85-T89 PolarHBondContact O-OG1 3.49Å; N85-T89 VanDerWaalsContact O-OG1 3.05Å
86S94.4Very high96.4Very high51 Ų5166.6 Ų66.636%0.35733%0.331SS..Hα-helixtrans-59.5-40.4-170.3-50.40000113.5L90S86-L90 WeakPolarHBondContact O-CB 3.13Å; S86-L90 VanDerWaalsContact O-CG 3.28Å; S86-L90 WeakPolarHBondContact O-CG 3.31Å; S86-L90 PolarHBondContact O-N 3.49Å; S86-L90 VanDerWaalsContact O-N 3.08Å
87R97.1Very high96.5Very high201 Ų20166.4 Ų66.476%0.75833%0.33SS*.Hα-helixtrans-67-46.8-179.7-175.7179.3-71.5-135.90.9111.1N85 L90 N91N85-R87 VanDerWaalsContact C-N 3.32Å; N85-R87 PolarHBondContact O-N 3.24Å; N85-R87 PolarHBondContact OD1-N 3.18Å; R87-L90 PolarHBondContact O-N 3.03Å; R87-N91 WeakPolarHBondContact O-CB 3.49Å; R87-N91 VanDerWaalsContact O-CG 3.25Å; R87-N91 PolarHBondContact O-N 2.98Å
88A97.4Very high96.5Very high27 Ų2770.7 Ų70.722%0.22335%0.345CS..Hα-helixtrans-63.2-44.1177.800000111.3K84 N85 L90 N91 S92K84-A88 HydrophobicContact CB-CB 4.01Å; K84-A88 HydrophobicContact CD-CB 4.27Å; N85-A88 PolarHBondContact O-N 3.46Å; N85-A88 WeakPolarHBondContact OD1-CB 3.13Å; N85-A88 PolarHBondContact OD1-N 3.5Å; A88-L90 PolarHBondContact O-N 3.4Å; A88-N91 PolarHBondContact O-N 2.72Å; A88-S92 WeakPolarHBondContact O-CB 3.4Å; A88-S92 PolarHBondContact O-N 2.84Å; A88-S92 PolarHBondContact O-OG 3.37Å
89T97.3Very high96.5Very high2 Ų275.1 Ų75.11%0.01236%0.36CS..Hα-helixtrans-59.4-47.9178.1-640000111.9V60 I82 K84 N85 N91 S92 L93 L118V60-T89 HydrophobicContact CB-CG2 4.38Å; V60-T89 HydrophobicContact CG2-CG2 4.31Å; I82-T89 HydrophobicContact CB-CG2 4.3Å; I82-T89 HydrophobicContact CG2-CG2 3.89Å; K84-T89 PolarHBondContact O-OG1 3.19Å; N85-T89 WeakPolarHBondContact O-CB 3.27Å; N85-T89 PolarHBondContact O-N 2.98Å; N85-T89 PolarHBondContact O-OG1 3.49Å; N85-T89 VanDerWaalsContact O-OG1 3.05Å; T89-N91 PolarHBondContact O-N 3.46Å; T89-S92 PolarHBondContact O-N 3.35Å; T89-L93 PolarHBondContact O-N 3.28Å; T89-L118 HydrophobicContact CG2-CD1 4.1Å
90L97.8Very high96.4Very high36 Ų3673.3 Ų73.319%0.18836%0.358CS..Hα-helixtrans-65.6-38.8176.8-67.9176.4000112.2S86 R87 A88 R94 L111 A114S86-L90 WeakPolarHBondContact O-CB 3.13Å; S86-L90 VanDerWaalsContact O-CG 3.28Å; S86-L90 WeakPolarHBondContact O-CG 3.31Å; S86-L90 PolarHBondContact O-N 3.49Å; S86-L90 VanDerWaalsContact O-N 3.08Å; R87-L90 PolarHBondContact O-N 3.03Å; A88-L90 PolarHBondContact O-N 3.4Å; L90-R94 WeakPolarHBondContact O-CB 3.4Å; L90-R94 PolarHBondContact O-N 3.5Å; L90-L111 HydrophobicContact CB-CD2 4.11Å; L90-L111 HydrophobicContact CD2-CB 4.48Å; L90-L111 HydrophobicContact CD2-CD2 3.98Å; L90-L111 WeakPolarHBondContact CD2-O 3.28Å; L90-L111 WeakPolarHBondContact O-CD2 3.34Å; L90-A114 HydrophobicContact CD2-CB 3.84Å
91N97.8Very high96.3Very high59 Ų5975.4 Ų75.432%0.31637%0.367SS..Hα-helixtrans-64.2-46.3175.6-76.6-6.4000111.3R87 A88 T89 L93 R94 H95R87-N91 WeakPolarHBondContact O-CB 3.49Å; R87-N91 VanDerWaalsContact O-CG 3.25Å; R87-N91 PolarHBondContact O-N 2.98Å; A88-N91 PolarHBondContact O-N 2.72Å; T89-N91 PolarHBondContact O-N 3.46Å; N91-L93 PolarHBondContact O-N 2.89Å; N91-R94 WeakPolarHBondContact O-CB 3.34Å; N91-R94 PolarHBondContact O-N 3.12Å; N91-R94 PolarHBondContact OD1-NH1 2.74Å; N91-H95 PolarHBondContact O-N 2.81Å; N91-H95 PolarHBondContact O-ND1 2.99Å
92S97.5Very high96.3Very high34 Ų3472.7 Ų72.724%0.23835%0.347CS..Hα-helixtrans-58.9-48.1177.1-67.20000111.3A88 T89 R94 H95 I96A88-S92 WeakPolarHBondContact O-CB 3.4Å; A88-S92 PolarHBondContact O-N 2.84Å; A88-S92 PolarHBondContact O-OG 3.37Å; T89-S92 PolarHBondContact O-N 3.35Å; S92-R94 VanDerWaalsContact C-N 3.31Å; S92-R94 PolarHBondContact O-N 2.97Å; S92-H95 PolarHBondContact O-N 3.17Å; S92-H95 VanDerWaalsContact O-N 3.12Å; S92-I96 VanDerWaalsContact O-CG1 3.32Å; S92-I96 WeakPolarHBondContact O-CG1 3.33Å; S92-I96 PolarHBondContact O-N 3.48Å
93L97.4Very high96.3Very high2 Ų273.8 Ų73.81%0.0135%0.351CS..Hα-helixtrans-59.7-39.9175.6178.156.9000112.4V51 V62 T89 N91 H95 I97 A110 L111 A114V51-L93 HydrophobicContact CG2-CD2 4.13Å; V62-L93 HydrophobicContact CG1-CD1 3.86Å; V62-L93 HydrophobicContact CG2-CD1 3.82Å; T89-L93 PolarHBondContact O-N 3.28Å; N91-L93 PolarHBondContact O-N 2.89Å; L93-H95 VanDerWaalsContact C-N 3.33Å; L93-H95 PolarHBondContact O-N 2.95Å; L93-I97 HydrophobicContact CD1-CD1 3.95Å; L93-I97 HydrophobicContact CD1-CG1 4.41Å; L93-I97 HydrophobicContact CG-CD1 4.35Å; L93-I97 PolarHBondContact O-N 2.92Å; L93-A110 HydrophobicContact CD1-CB 4.49Å; L93-A110 HydrophobicContact CD2-CB 4.09Å; L93-A110 HydrophobicContact CG-CB 4.48Å; L93-L111 HydrophobicContact CB-CD2 4.28Å; L93-L111 HydrophobicContact CD2-CD2 4.24Å; L93-L111 HydrophobicContact CG-CD2 4.25Å; L93-A114 HydrophobicContact CD2-CB 3.7Å
94R97.8Very high96.4Very high80 Ų8074.2 Ų74.230%0.30235%0.347SS..Hα-helixtrans-61.1-42.8175.4-167.9-173.1-59.6113.23.3111.5L90 N91 S92 I97 R98 R107 L111L90-R94 WeakPolarHBondContact O-CB 3.4Å; L90-R94 PolarHBondContact O-N 3.5Å; N91-R94 WeakPolarHBondContact O-CB 3.34Å; N91-R94 PolarHBondContact O-N 3.12Å; N91-R94 PolarHBondContact OD1-NH1 2.74Å; S92-R94 VanDerWaalsContact C-N 3.31Å; S92-R94 PolarHBondContact O-N 2.97Å; R94-I97 PolarHBondContact O-N 3.42Å; R94-R98 VanDerWaalsContact O-CB 3.24Å; R94-R98 WeakPolarHBondContact O-CB 3.48Å; R94-R98 PolarHBondContact O-N 3.17Å; R94-R107 HydrophobicContact CG-CG 4.42Å; R94-L111 HydrophobicContact CB-CD1 4.45Å; R94-L111 HydrophobicContact CB-CD2 4.24Å; R94-L111 HydrophobicContact CG-CD1 4.42Å
95H97.6Very high96.5Very high97 Ų9771.2 Ų71.245%0.44934%0.337SS..Hα-helixtrans-67.9-46.1-180-73.197.3000111.6N91 S92 L93 I97 R98 K99N91-H95 PolarHBondContact O-N 2.81Å; N91-H95 PolarHBondContact O-ND1 2.99Å; S92-H95 PolarHBondContact O-N 3.17Å; S92-H95 VanDerWaalsContact O-N 3.12Å; L93-H95 VanDerWaalsContact C-N 3.33Å; L93-H95 PolarHBondContact O-N 2.95Å; H95-I97 PolarHBondContact O-N 3.22Å; H95-R98 PolarHBondContact O-N 2.94Å; H95-K99 HydrophobicContact CB-CG 4.31Å; H95-K99 VanDerWaalsContact O-CB 3.28Å; H95-K99 WeakPolarHBondContact O-CB 3.47Å; H95-K99 PolarHBondContact O-N 3.3Å
96I96.6Very high96.6Very high35 Ų3566.1 Ų66.118%0.17931%0.31CS..Hα-helixtrans-50.1-44.8175.6-69168.4000110.8L64 I82 S92 N100L64-I96 HydrophobicContact CD1-CG2 3.78Å; I82-I96 HydrophobicContact CD1-CD1 4.1Å; S92-I96 VanDerWaalsContact O-CG1 3.32Å; S92-I96 WeakPolarHBondContact O-CG1 3.33Å; S92-I96 PolarHBondContact O-N 3.48Å; I96-N100 VanDerWaalsContact O-CB 3.3Å; I96-N100 WeakPolarHBondContact O-CB 3.44Å
97I96.6Very high96.7Very high0 Ų067.7 Ų67.70%031%0.308CS..Hα-helixtrans-77.3-50.2-178.8-68.2173.3000111.9V49 L93 R94 H95 N101 Y102 R107 A110V49-I97 HydrophobicContact CG1-CD1 4.12Å; L93-I97 HydrophobicContact CD1-CD1 3.95Å; L93-I97 HydrophobicContact CD1-CG1 4.41Å; L93-I97 HydrophobicContact CG-CD1 4.35Å; L93-I97 PolarHBondContact O-N 2.92Å; R94-I97 PolarHBondContact O-N 3.42Å; H95-I97 PolarHBondContact O-N 3.22Å; I97-N101 PolarHBondContact O-N 3.05Å; I97-Y102 WeakPolarHBondContact CG2-O 3.17Å; I97-Y102 PolarHBondContact O-N 2.95Å; I97-R107 HydrophobicContact CG2-CB 3.74Å; I97-R107 HydrophobicContact CG2-CG 4.15Å; I97-A110 HydrophobicContact CD1-CB 3.7Å
98R96.3Very high96.8Very high159 Ų15961.7 Ų61.760%0.629%0.29SS*.Hα-helixtrans-75.2-48.1-170.7-177.7-179.2169-174.4-2.6112.3R94 H95 N101R94-R98 VanDerWaalsContact O-CB 3.24Å; R94-R98 WeakPolarHBondContact O-CB 3.48Å; R94-R98 PolarHBondContact O-N 3.17Å; H95-R98 PolarHBondContact O-N 2.94Å; R98-N101 PolarHBondContact O-N 3.13Å
99K95.9Very high96.8Very high144 Ų14461 Ų6163%0.62628%0.284SS*.Hα-helixtrans-71.9-35.8-174.4-65.9-71-171.3168.20111.4H95 N101H95-K99 HydrophobicContact CB-CG 4.31Å; H95-K99 VanDerWaalsContact O-CB 3.28Å; H95-K99 WeakPolarHBondContact O-CB 3.47Å; H95-K99 PolarHBondContact O-N 3.3Å; K99-N101 PolarHBondContact O-N 3.01Å
100N94.6Very high96.8Very high111 Ų11160.9 Ų60.959%0.59428%0.283SS*.THydrogen-bonded Turntrans-85.67178.3-56.32.3000112.9I96 Y102I96-N100 VanDerWaalsContact O-CB 3.3Å; I96-N100 WeakPolarHBondContact O-CB 3.44Å; N100-Y102 PolarHBondContact O-N 2.82Å; N100-Y102 VanDerWaalsContact O-N 3.1Å
101N95.2Very high96.8Very high100 Ų10059.9 Ų59.954%0.53528%0.278SS..THydrogen-bonded Turntrans5036.8-176.1-60.8-54.2000113.2I97 R98 K99 K104I97-N101 PolarHBondContact O-N 3.05Å; R98-N101 PolarHBondContact O-N 3.13Å; K99-N101 PolarHBondContact O-N 3.01Å; N101-K104 WeakPolarHBondContact OD1-CE 3.47Å; N101-K104 PolarHBondContact OD1-NZ 3.15Å
102Y95.9Very high96.9Very high31 Ų3164.9 Ų64.912%0.12229%0.292CS..  trans-103.196.9-170.1-163.5-80.5000110.7K47 T48 V49 L64 K65 I97 N100 K104K47-Y102 VanDerWaalsContact CA-OH 3.31Å; K47-Y102 WeakPolarHBondContact CA-OH 3.38Å; K47-Y102 HydrophobicContact CB-CE1 3.9Å; K47-Y102 HydrophobicContact CB-CE2 4.05Å; K47-Y102 HydrophobicContact CD-CD2 4Å; K47-Y102 HydrophobicContact CD-CE2 3.88Å; K47-Y102 HydrophobicContact CG-CD2 4.39Å; K47-Y102 HydrophobicContact CG-CE2 3.75Å; T48-Y102 PolarHBondContact N-OH 3.02Å; T48-Y102 WeakPolarHBondContact O-CE1 3.48Å; T48-Y102 PolarHBondContact O-OH 2.83Å; V49-Y102 HydrophobicContact CG2-CD1 3.69Å; V49-Y102 HydrophobicContact CG2-CE1 3.74Å; L64-Y102 HydrophobicContact CD2-CD1 4.18Å; L64-Y102 HydrophobicContact CD2-CE1 3.97Å; K65-Y102 PolarHBondContact N-OH 3.44Å; K65-Y102 PolarHBondContact O-OH 2.72Å; I97-Y102 WeakPolarHBondContact CG2-O 3.17Å; I97-Y102 PolarHBondContact O-N 2.95Å; N100-Y102 PolarHBondContact O-N 2.82Å; N100-Y102 VanDerWaalsContact O-N 3.1Å; Y102-K104 PolarHBondContact O-N 3.47Å
103R95.6Very high96.9Very high34 Ų3467 Ų6713%0.12830%0.295CS..  trans5058.8179.5-76.2-148.958.7179.8-1.8113.5R39 K47 V49 D105 L106R39-R103 PolarHBondContact O-NH1 2.96Å; R39-R103 VanDerWaalsContact O-NH1 3.1Å; R39-R103 PolarHBondContact O-NH2 3.5Å; K47-R103 HydrophobicContact CB-CG 3.95Å; K47-R103 WeakPolarHBondContact O-CD 3.08Å; V49-R103 HydrophobicContact CG2-CB 4.41Å; R103-D105 WeakPolarHBondContact CA-OD1 3.46Å; R103-D105 WeakPolarHBondContact CB-OD1 3.42Å; R103-D105 IonicContact CZ-OD1 3.74Å; R103-D105 IonicContact CZ-OD2 3.67Å; R103-D105 IonicContact NE-OD1 3.06Å; R103-D105 PolarHBondContact NE-OD1 2.87Å; R103-D105 IonicContact NE-OD2 3.78Å; R103-D105 IonicContact NH2-OD1 3.51Å; R103-D105 IonicContact NH2-OD2 2.72Å; R103-D105 PolarHBondContact NH2-OD2 3.33Å; R103-D105 PolarHBondContact O-N 3.07Å; R103-L106 HydrophobicContact CB-CD1 4.45Å; R103-L106 HydrophobicContact CB-CG 4.47Å; R103-L106 PolarHBondContact O-N 3.32Å
104K96.6Very high96.9Very high116 Ų11667 Ų6750%0.50430%0.295SS..G310 helixtrans-53.3-28.2177.8-65.3-177.7-176.4174.30112.8N101 Y102 L106 R107N101-K104 WeakPolarHBondContact OD1-CE 3.47Å; N101-K104 PolarHBondContact OD1-NZ 3.15Å; Y102-K104 PolarHBondContact O-N 3.47Å; K104-L106 VanDerWaalsContact C-N 3.25Å; K104-L106 PolarHBondContact O-N 3.3Å; K104-R107 WeakPolarHBondContact O-CB 3.38Å; K104-R107 PolarHBondContact O-N 2.9Å
105D96.3Very high96.8Very high64 Ų6466 Ų6634%0.34230%0.3SS..G310 helixtrans-62.1-28.6176.977.8-66.3000113.1R39 R103R39-D105 IonicContact CZ-OD2 3.82Å; R39-D105 IonicContact NE-OD2 3.01Å; R39-D105 PolarHBondContact NE-OD2 3.08Å; R39-D105 PolarHBondContact NH2-O 3.46Å; R39-D105 IonicContact NH2-OD2 3.9Å; R103-D105 WeakPolarHBondContact CA-OD1 3.46Å; R103-D105 WeakPolarHBondContact CB-OD1 3.42Å; R103-D105 IonicContact CZ-OD1 3.74Å; R103-D105 IonicContact CZ-OD2 3.67Å; R103-D105 IonicContact NE-OD1 3.06Å; R103-D105 PolarHBondContact NE-OD1 2.87Å; R103-D105 IonicContact NE-OD2 3.78Å; R103-D105 IonicContact NH2-OD1 3.51Å; R103-D105 IonicContact NH2-OD2 2.72Å; R103-D105 PolarHBondContact NH2-OD2 3.33Å; R103-D105 PolarHBondContact O-N 3.07Å
106L97.1Very high96.8Very high5 Ų564.2 Ų64.23%0.02630%0.302CS..G310 helixtrans-90.1-8.9178.6-69.2-172.7000114.4L32 F40 V49 R103 K104 M108 A109 A110L32-L106 HydrophobicContact CD1-CB 3.82Å; L32-L106 HydrophobicContact CD1-CD1 3.86Å; L32-L106 HydrophobicContact CD1-CD2 4.21Å; L32-L106 HydrophobicContact CD1-CG 4.18Å; F40-L106 HydrophobicContact CD1-CD2 3.61Å; F40-L106 HydrophobicContact CE1-CD2 3.74Å; V49-L106 HydrophobicContact CB-CD1 4.3Å; R103-L106 HydrophobicContact CB-CD1 4.45Å; R103-L106 HydrophobicContact CB-CG 4.47Å; R103-L106 PolarHBondContact O-N 3.32Å; K104-L106 VanDerWaalsContact C-N 3.25Å; K104-L106 PolarHBondContact O-N 3.3Å; L106-M108 VanDerWaalsContact C-N 3.3Å; L106-M108 PolarHBondContact O-N 3.18Å; L106-M108 VanDerWaalsContact O-N 3.15Å; L106-A109 WeakPolarHBondContact O-CA 3.3Å; L106-A109 WeakPolarHBondContact O-CB 3.42Å; L106-A109 PolarHBondContact O-N 2.78Å; L106-A110 PolarHBondContact O-N 3.38Å
107R97.3Very high96.8Very high84 Ų8463.3 Ų63.332%0.31730%0.298SS..Hα-helixtrans-45.4-53.2-173.4-177.9178.159.685.4-3.9112.8R94 I97 K104 A110 L111R94-R107 HydrophobicContact CG-CG 4.42Å; I97-R107 HydrophobicContact CG2-CB 3.74Å; I97-R107 HydrophobicContact CG2-CG 4.15Å; K104-R107 WeakPolarHBondContact O-CB 3.38Å; K104-R107 PolarHBondContact O-N 2.9Å; R107-A110 PolarHBondContact O-N 2.88Å; R107-L111 HydrophobicContact CG-CD1 4.17Å; R107-L111 VanDerWaalsContact O-CG 3.28Å; R107-L111 WeakPolarHBondContact O-CG 3.31Å; R107-L111 PolarHBondContact O-N 3.33Å
108M97.9Very high96.7Very high76 Ų7664.1 Ų64.137%0.37430%0.302SS..Hα-helixtrans-73.8-26.7-176.2-73.1-53.3-57.800113.5L106 L111 R112L106-M108 VanDerWaalsContact C-N 3.3Å; L106-M108 PolarHBondContact O-N 3.18Å; L106-M108 VanDerWaalsContact O-N 3.15Å; M108-L111 HydrophobicContact SD-CD1 3.91Å; M108-R112 WeakPolarHBondContact O-CG 3.47Å; M108-R112 PolarHBondContact O-N 3.04Å
109A97.9Very high96.6Very high12 Ų1264.4 Ų64.410%0.09931%0.308CS..Hα-helixtrans-71.2-42.5172.800000110.5L32 K33 F40 L106 R112 R113L32-A109 HydrophobicContact CB-CB 4.14Å; L32-A109 HydrophobicContact CD1-CB 4.02Å; K33-A109 HydrophobicContact CG-CB 4.35Å; F40-A109 HydrophobicContact CE1-CB 4.37Å; L106-A109 WeakPolarHBondContact O-CA 3.3Å; L106-A109 WeakPolarHBondContact O-CB 3.42Å; L106-A109 PolarHBondContact O-N 2.78Å; A109-R112 PolarHBondContact O-N 3.38Å; A109-R113 PolarHBondContact O-N 3.03Å
110A97.9Very high96.5Very high0 Ų061.9 Ų61.90%031%0.308CS..Hα-helixtrans-63.1-45.5177.900000111.5L32 V49 V51 L93 I97 L106 R107 R112 R113 A114L32-A110 HydrophobicContact CD1-CB 3.93Å; L32-A110 HydrophobicContact CD2-CB 4.37Å; V49-A110 HydrophobicContact CG1-CB 4.21Å; V51-A110 HydrophobicContact CG2-CB 4Å; L93-A110 HydrophobicContact CD1-CB 4.49Å; L93-A110 HydrophobicContact CD2-CB 4.09Å; L93-A110 HydrophobicContact CG-CB 4.48Å; I97-A110 HydrophobicContact CD1-CB 3.7Å; L106-A110 PolarHBondContact O-N 3.38Å; R107-A110 PolarHBondContact O-N 2.88Å; A110-R112 PolarHBondContact O-N 2.95Å; A110-R113 PolarHBondContact O-N 3.1Å; A110-A114 WeakPolarHBondContact O-CB 3.4Å; A110-A114 PolarHBondContact O-N 2.83Å
111L98.1Very high96.4Very high14 Ų1459.2 Ų59.27%0.07329%0.292CS..Hα-helixtrans-61.1-43.3176.7-70.1172.7000112.6L90 L93 R94 R107 M108 A114 S115L90-L111 HydrophobicContact CB-CD2 4.11Å; L90-L111 HydrophobicContact CD2-CB 4.48Å; L90-L111 HydrophobicContact CD2-CD2 3.98Å; L90-L111 WeakPolarHBondContact CD2-O 3.28Å; L90-L111 WeakPolarHBondContact O-CD2 3.34Å; L93-L111 HydrophobicContact CB-CD2 4.28Å; L93-L111 HydrophobicContact CD2-CD2 4.24Å; L93-L111 HydrophobicContact CG-CD2 4.25Å; R94-L111 HydrophobicContact CB-CD1 4.45Å; R94-L111 HydrophobicContact CB-CD2 4.24Å; R94-L111 HydrophobicContact CG-CD1 4.42Å; R107-L111 HydrophobicContact CG-CD1 4.17Å; R107-L111 VanDerWaalsContact O-CG 3.28Å; R107-L111 WeakPolarHBondContact O-CG 3.31Å; R107-L111 PolarHBondContact O-N 3.33Å; M108-L111 HydrophobicContact SD-CD1 3.91Å; L111-A114 PolarHBondContact O-N 2.8Å; L111-S115 WeakPolarHBondContact O-CB 3.42Å; L111-S115 PolarHBondContact O-N 2.8Å
112R98.2Very high96.2Very high164 Ų16460.6 Ų60.662%0.61929%0.294SS*.Hα-helixtrans-64.8-41.9177.3-75.7-175.8178.797.3-5.2111.9M108 A109 A110 S115 A116M108-R112 WeakPolarHBondContact O-CG 3.47Å; M108-R112 PolarHBondContact O-N 3.04Å; A109-R112 PolarHBondContact O-N 3.38Å; A110-R112 PolarHBondContact O-N 2.95Å; R112-S115 PolarHBondContact O-N 3.21Å; R112-A116 PolarHBondContact O-N 3.32Å
113R97.6Very high95.7Very high80 Ų8064.9 Ų64.930%0.30233%0.325SS..Hα-helixtrans-63.3-44.8175.9-171.9171.3-174.5106.9-1.5111.9N31 L32 V51 A109 A110 S115 A116 I117N31-R113 PolarHBondContact O-NH1 3.29Å; N31-R113 VanDerWaalsContact O-NH1 3.09Å; L32-R113 WeakPolarHBondContact O-CD 3.28Å; L32-R113 PolarHBondContact O-NH1 3.32Å; V51-R113 HydrophobicContact CB-CB 4.43Å; V51-R113 HydrophobicContact CB-CG 4.19Å; V51-R113 HydrophobicContact CG1-CG 4.42Å; V51-R113 WeakPolarHBondContact O-CD 3.41Å; V51-R113 PolarHBondContact O-NE 3.15Å; A109-R113 PolarHBondContact O-N 3.03Å; A110-R113 PolarHBondContact O-N 3.1Å; R113-S115 VanDerWaalsContact C-N 3.34Å; R113-S115 PolarHBondContact O-N 3.32Å; R113-A116 PolarHBondContact O-N 3.29Å; R113-I117 HydrophobicContact CG-CD1 4.16Å; R113-I117 WeakPolarHBondContact O-CG1 3.31Å; R113-I117 PolarHBondContact O-N 3.31Å
114A97.5Very high95.3Very high0 Ų069.6 Ų69.60%036%0.357CS..Hα-helixtrans-60.2-43.7175.300000111.7V51 V60 L90 L93 A110 L111 A116 I117 L118V51-A114 HydrophobicContact CG1-CB 3.9Å; V60-A114 HydrophobicContact CG1-CB 4.42Å; L90-A114 HydrophobicContact CD2-CB 3.84Å; L93-A114 HydrophobicContact CD2-CB 3.7Å; A110-A114 WeakPolarHBondContact O-CB 3.4Å; A110-A114 PolarHBondContact O-N 2.83Å; L111-A114 PolarHBondContact O-N 2.8Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 3.24Å; A114-I117 PolarHBondContact O-N 2.95Å; A114-L118 WeakPolarHBondContact O-CB 3.38Å; A114-L118 VanDerWaalsContact O-CG 3.32Å; A114-L118 WeakPolarHBondContact O-CG 3.46Å; A114-L118 PolarHBondContact O-N 3.06Å
115S97.3Very high94.5Very high59 Ų5969.8 Ų69.841%0.41337%0.368SS..Hα-helixtrans-62.8-37.8175.5-173.20000112.6L111 R112 R113 K119L111-S115 WeakPolarHBondContact O-CB 3.42Å; L111-S115 PolarHBondContact O-N 2.8Å; R112-S115 PolarHBondContact O-N 3.21Å; R113-S115 VanDerWaalsContact C-N 3.34Å; R113-S115 PolarHBondContact O-N 3.32Å; S115-K119 WeakPolarHBondContact O-CB 3.3Å; S115-K119 PolarHBondContact O-N 2.95Å
116A96.7Very high93.6Very high60 Ų6072.6 Ų72.650%0.49639%0.387SS..Hα-helixtrans-65.7-42.3176.800000111.5R112 R113 A114 K119 S120R112-A116 PolarHBondContact O-N 3.32Å; R113-A116 PolarHBondContact O-N 3.29Å; A114-A116 VanDerWaalsContact C-N 3.32Å; A114-A116 PolarHBondContact O-N 3.24Å; A116-K119 PolarHBondContact O-N 3.16Å; A116-S120 PolarHBondContact O-N 3.34Å
117I96.1Very high92.4Very high17 Ų1781.6 Ų81.69%0.08743%0.426CS..Hα-helixtrans-63.6-47.9175-68.5161.4000111V51 P53 V60 R113 A114 K119 S120 Q121V51-I117 HydrophobicContact CG1-CD1 3.88Å; P53-I117 HydrophobicContact CB-CG2 4.01Å; V60-I117 HydrophobicContact CG2-CB 4.36Å; V60-I117 HydrophobicContact CG2-CG2 3.94Å; R113-I117 HydrophobicContact CG-CD1 4.16Å; R113-I117 WeakPolarHBondContact O-CG1 3.31Å; R113-I117 PolarHBondContact O-N 3.31Å; A114-I117 PolarHBondContact O-N 2.95Å; I117-K119 PolarHBondContact O-N 3.49Å; I117-S120 WeakPolarHBondContact CA-OG 3.49Å; I117-S120 PolarHBondContact O-N 3.1Å; I117-S120 VanDerWaalsContact O-N 3.08Å; I117-S120 PolarHBondContact O-OG 2.69Å; I117-Q121 HydrophobicContact CG2-CG 4.43Å; I117-Q121 VanDerWaalsContact O-CG 3.29Å; I117-Q121 WeakPolarHBondContact O-CG 3.34Å; I117-Q121 PolarHBondContact O-N 3.2Å
118L95.6Very high91.1Very high16 Ų1687 Ų878%0.08445%0.452CS..Hα-helixtrans-61.5-31.5177-70.7171.4000112.1V60 T89 A114 K122V60-L118 HydrophobicContact CG2-CD2 3.97Å; V60-L118 HydrophobicContact CG2-CG 3.96Å; T89-L118 HydrophobicContact CG2-CD1 4.1Å; A114-L118 WeakPolarHBondContact O-CB 3.38Å; A114-L118 VanDerWaalsContact O-CG 3.32Å; A114-L118 WeakPolarHBondContact O-CG 3.46Å; A114-L118 PolarHBondContact O-N 3.06Å; L118-K122 WeakPolarHBondContact O-CG 3.42Å
119K93.8Very high89.8Confident165 Ų16592.9 Ų92.972%0.71748%0.475SS*.Hα-helixtrans-71.8-41.3173.4-174.5179.6178.3-176.80111.5S115 A116 I117 Q121 K122S115-K119 WeakPolarHBondContact O-CB 3.3Å; S115-K119 PolarHBondContact O-N 2.95Å; A116-K119 PolarHBondContact O-N 3.16Å; I117-K119 PolarHBondContact O-N 3.49Å; K119-Q121 VanDerWaalsContact C-N 3.25Å; K119-Q121 PolarHBondContact O-N 3.21Å; K119-K122 PolarHBondContact O-N 2.84Å
120S93.2Very high88.3Confident92 Ų92104.1 Ų104.164%0.64352%0.515SS*.Hα-helixtrans-69.1-23.9179.469.20000113.3A116 I117A116-S120 PolarHBondContact O-N 3.34Å; I117-S120 WeakPolarHBondContact CA-OG 3.49Å; I117-S120 PolarHBondContact O-N 3.1Å; I117-S120 VanDerWaalsContact O-N 3.08Å; I117-S120 PolarHBondContact O-OG 2.69Å
121Q93Very high87.1Confident55 Ų55110.4 Ų110.426%0.25755%0.554SS.*THydrogen-bonded Turntrans-80.2-13.7175.9-70.7174.3-12.600113.8G57 G59 I117 K119G57-Q121 WeakPolarHBondContact O-CG 3.36Å; G57-Q121 PolarHBondContact O-NE2 3.05Å; G59-Q121 PolarHBondContact O-NE2 2.8Å; G59-Q121 PolarHBondContact O-OE1 2.85Å; I117-Q121 HydrophobicContact CG2-CG 4.43Å; I117-Q121 VanDerWaalsContact O-CG 3.29Å; I117-Q121 WeakPolarHBondContact O-CG 3.34Å; I117-Q121 PolarHBondContact O-N 3.2Å; K119-Q121 VanDerWaalsContact C-N 3.25Å; K119-Q121 PolarHBondContact O-N 3.21Å
122K89.9Confident85.7Confident129 Ų129121.1 Ų121.156%0.56159%0.593SS**SBendtrans-73.3144.3177.4-72.7179.6-180-168.80110L118 K119 V124L118-K122 WeakPolarHBondContact O-CG 3.42Å; K119-K122 PolarHBondContact O-N 2.84Å; K122-V124 PolarHBondContact O-N 2.89Å
123P86.9Confident84.4Confident121 Ų121117.9 Ų117.979%0.78660%0.601SS**  trans-53133.2173.4-25.333.7000111.2V125P123-V125 PolarHBondContact O-N 2.66Å; P123-V125 VanDerWaalsContact O-N 3.17Å
124V85.5Confident83.1Confident133 Ų133120.5 Ų120.581%0.80663%0.626SS**  trans-75.4106.1175.2179.70000107.7K122 V126K122-V124 PolarHBondContact O-N 2.89Å; V124-V126 PolarHBondContact O-N 2.78Å
125V80.4Confident81.6Confident120 Ų120130.1 Ų130.173%0.72767%0.668SS**  trans-74.2106.8171.1-176.30000107.6P123 K127P123-V125 PolarHBondContact O-N 2.66Å; P123-V125 VanDerWaalsContact O-N 3.17Å; V125-K127 PolarHBondContact O-N 3.33Å
126V78.3Confident80Confident123 Ų123133.9 Ų133.975%0.74569%0.688SS**  trans-65.4102.7172.2-176.70000107.5V124 K128V124-V126 PolarHBondContact O-N 2.78Å; V126-K128 PolarHBondContact O-N 2.91Å
127K70.8Confident78.5Confident193 Ų193139.4 Ų139.484%0.83973%0.734SS**  trans-69104.1173.8-70-172.7177.5-175.10107.9V125 K129V125-K127 PolarHBondContact O-N 3.33Å; K127-K129 PolarHBondContact O-N 3.19Å
128K71.4Confident77.6Confident198 Ų198145.5 Ų145.586%0.86177%0.766SS**  trans-57126.5168-73.5-174.2178.1-178.30108.1V126 R130V126-K128 PolarHBondContact O-N 2.91Å; K128-R130 PolarHBondContact O-N 3.25Å; K128-R130 VanDerWaalsContact O-N 3.1Å
129K70.3Confident76.7Confident199 Ų199152.3 Ų152.387%0.86580%0.802SS**  trans-60.4115.3175.4-154.2178-173.7-177.10106.3K127 T131K127-K129 PolarHBondContact O-N 3.19Å; K129-T131 PolarHBondContact O-N 3.11Å
130R65.7Low75.7Confident248 Ų248151.6 Ų151.694%0.93681%0.807SS**  trans-61.9106.3174-112.1179.6159.8-178-6.5106.8K128 R132K128-R130 PolarHBondContact O-N 3.25Å; K128-R130 VanDerWaalsContact O-N 3.1Å; R130-R132 PolarHBondContact O-N 3.14Å
131T72.3Confident74.7Confident132 Ų132155.1 Ų155.181%0.8182%0.816SS**PPolyproline II helixtrans-65.9121.5166.741.60000106.7K129 A133K129-T131 PolarHBondContact O-N 3.11Å; T131-A133 PolarHBondContact O-N 3.39Å
132R68.9Low73.5Confident240 Ų240161.4 Ų161.491%0.90685%0.851SS**PPolyproline II helixtrans-65.9129.9168.9-88.8-179.2168.3176.6-4106.7R130 V134R130-R132 PolarHBondContact O-N 3.14Å; R132-V134 PolarHBondContact O-N 3.01Å
133A72Confident72.4Confident95 Ų95163.5 Ų163.579%0.78587%0.871SS**PPolyproline II helixtrans-56.9130.4168.100000108.2T131 K135T131-A133 PolarHBondContact O-N 3.39Å; A133-K135 PolarHBondContact O-N 3.49Å
134V70.3Confident71.4Confident135 Ų135166.6 Ų166.682%0.81888%0.877SS**PPolyproline II helixtrans-62.4123173.8178.90000106.6R132 T136R132-V134 PolarHBondContact O-N 3.01Å; V134-T136 PolarHBondContact O-N 3.14Å
135K66Low70.3Confident203 Ų203169.2 Ų169.288%0.88388%0.882SS**  trans-65.3116169.4-90.4-175.2170.2-173.10107.1A133A133-K135 PolarHBondContact O-N 3.49Å
136T62.8Low69.5Low137 Ų137173.3 Ų173.384%0.8490%0.895SS**  trans-65.6131.9164.141.10000108.5V134V134-T136 PolarHBondContact O-N 3.14Å
137A65Low68.7Low176 Ų176177.8 Ų177.8100%1.45591%0.909SS**  trans-70.70175.700000111.2

Retrieved 137 of 137 residues in 170.5 ms (Link to these results)