A0A3Q0KS43_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KS43, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 140 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M48.6Very low75.2Confident243 Ų243111.1 Ų111.1100%1.19759%0.591SS**  01120-74.2-168.8167.600106.2
2T56.7Low76.3Confident92 Ų92107.1 Ų107.156%0.56457%0.574SS**  trans-67.6135.8176.634.30000109.3E6T2-E6 WeakPolarHBondContact CA-OE2 3.49Å
3T62.5Low77.3Confident86 Ų86106.5 Ų106.553%0.52858%0.576SS.*  trans-72.4147.4177.156.30000109.5N5 E6T3-N5 PolarHBondContact O-N 3.04Å; T3-E6 PolarHBondContact N-OE2 3.02Å; T3-E6 WeakPolarHBondContact O-CB 3.33Å; T3-E6 PolarHBondContact O-N 2.97Å; T3-E6 PolarHBondContact OG1-OE2 3.35Å
4P66.1Low77.8Confident125 Ų125102.7 Ų102.781%0.81256%0.562SS**THydrogen-bonded Turntrans-61.8-18.6-172.322-32.6000114.3
5N72.1Confident78.3Confident136 Ų136105.6 Ų105.673%0.72758%0.576SS**THydrogen-bonded Turntrans-98.52.3177.1-87.6-0.7000114.2T3 L7T3-N5 PolarHBondContact O-N 3.04Å; N5-L7 PolarHBondContact O-N 3.38Å
6E82.2Confident78.7Confident99 Ų99103.4 Ų103.446%0.46359%0.586SS.*  trans-74.1123.6-179.5-143.6165.6173.200109.7T2 T3T2-E6 WeakPolarHBondContact CA-OE2 3.49Å; T3-E6 PolarHBondContact N-OE2 3.02Å; T3-E6 WeakPolarHBondContact O-CB 3.33Å; T3-E6 PolarHBondContact O-N 2.97Å; T3-E6 PolarHBondContact OG1-OE2 3.35Å
7L84.9Confident78.9Confident96 Ų96100.6 Ų100.650%0.50357%0.567SS.*  trans-72.3128.3171.5-70.2173.6000108.1N5N5-L7 PolarHBondContact O-N 3.38Å
8V87.5Confident79.3Confident33 Ų33101.4 Ų101.420%0.257%0.569CS.*EExtended strand (participates in β ladder)trans-104.1135.4176.5-168.60000108F10 G23 L25 L28V8-F10 HydrophobicContact CB-CD1 4.32Å; V8-F10 HydrophobicContact CB-CE1 3.95Å; V8-F10 HydrophobicContact CG1-CD1 3.46Å; V8-F10 VanDerWaalsContact CG1-CD1 3.46Å; V8-F10 HydrophobicContact CG1-CE1 3.46Å; V8-F10 VanDerWaalsContact CG1-CE1 3.46Å; V8-G23 PolarHBondContact N-O 3.23Å; V8-G23 PolarHBondContact O-N 2.86Å; V8-G23 VanDerWaalsContact O-N 3.16Å; V8-L25 HydrophobicContact CB-CG 4.4Å; V8-L25 HydrophobicContact CG2-CD1 3.84Å; V8-L25 HydrophobicContact CG2-CG 3.78Å; V8-L28 WeakPolarHBondContact O-CD1 3.45Å
9Q89.3Confident79.6Confident136 Ų13699.6 Ų99.664%0.63656%0.555SS**EExtended strand (participates in β ladder)trans-114.2131.2174.7-67.3177-5.600108.5L21 E22Q9-L21 WeakPolarHBondContact CA-O 3.27Å; Q9-E22 HydrophobicContact CG-CB 4.11Å; Q9-E22 HydrophobicContact CG-CG 3.84Å; Q9-E22 VanDerWaalsContact NE2-CD 3.3Å; Q9-E22 PolarHBondContact NE2-OE1 2.98Å
10F87.7Confident79.9Confident66 Ų66101.9 Ų101.929%0.28956%0.561SS.*EExtended strand (participates in β ladder)trans-149.3146.7171.831.2-104.5000112.3V8 V12 L21 L25 L28V8-F10 HydrophobicContact CB-CD1 4.32Å; V8-F10 HydrophobicContact CB-CE1 3.95Å; V8-F10 HydrophobicContact CG1-CD1 3.46Å; V8-F10 VanDerWaalsContact CG1-CD1 3.46Å; V8-F10 HydrophobicContact CG1-CE1 3.46Å; V8-F10 VanDerWaalsContact CG1-CE1 3.46Å; F10-V12 HydrophobicContact CD2-CG2 4.32Å; F10-L21 HydrophobicContact CD2-CB 3.94Å; F10-L21 HydrophobicContact CD2-CD1 4.19Å; F10-L21 HydrophobicContact CE2-CB 4.02Å; F10-L21 HydrophobicContact CE2-CD1 4.05Å; F10-L21 PolarHBondContact N-O 3.4Å; F10-L21 PolarHBondContact O-N 2.88Å; F10-L21 VanDerWaalsContact O-N 3.08Å; F10-L25 HydrophobicContact CE1-CD2 4.42Å; F10-L28 HydrophobicContact CD2-CD1 4.45Å; F10-L28 HydrophobicContact CE1-CD1 3.63Å; F10-L28 HydrophobicContact CE2-CB 3.8Å; F10-L28 HydrophobicContact CE2-CD1 3.55Å; F10-L28 HydrophobicContact CE2-CG 4.17Å; F10-L28 HydrophobicContact CZ-CB 3.48Å; F10-L28 VanDerWaalsContact CZ-CB 3.48Å; F10-L28 HydrophobicContact CZ-CD1 3.08Å; F10-L28 HydrophobicContact CZ-CG 3.87Å
11D89.9Confident80.2Confident110 Ų11098.8 Ų98.859%0.58854%0.544SS*.EExtended strand (participates in β ladder)trans-98.5120-179.5-62.9-8.4000108.6F19 H20D11-F19 WeakPolarHBondContact CA-O 3.35Å; D11-H20 VanDerWaalsContact CG-CE1 3.41Å; D11-H20 IonicContact OD1-CE1 2.99Å; D11-H20 PolarHBondContact OD1-CE1 2.78Å; D11-H20 VanDerWaalsContact OD1-CE1 3.29Å; D11-H20 IonicContact OD1-CG 2.84Å; D11-H20 IonicContact OD1-ND1 2.69Å; D11-H20 PolarHBondContact OD1-ND1 3.26Å; D11-H20 IonicContact OD2-CE1 3.58Å; D11-H20 PolarHBondContact OD2-CE1 3.08Å; D11-H20 VanDerWaalsContact OD2-CE1 3.3Å; D11-H20 IonicContact OD2-ND1 3.24Å
12V87.8Confident82Confident63 Ų6392.9 Ų92.938%0.38251%0.513SS..EExtended strand (participates in β ladder)trans-109.9123179.1-179.80000108.5F10 F19 L21F10-V12 HydrophobicContact CD2-CG2 4.32Å; V12-F19 PolarHBondContact N-O 2.83Å; V12-F19 PolarHBondContact O-N 3.05Å; V12-L21 HydrophobicContact CB-CD1 4.46Å; V12-L21 HydrophobicContact CG2-CD1 3.78Å
13V90Very high83.5Confident100 Ų10088.9 Ų88.961%0.60649%0.49SS*.EExtended strand (participates in β ladder)trans-90.6118.9172-170.60000108.5E17 N18V13-E17 CarbonylContact C-O 3.59Å; V13-E17 WeakPolarHBondContact CA-O 3.31Å; V13-N18 WeakPolarHBondContact CG2-OD1 3.45Å
14S84.2Confident84.6Confident53 Ų5388 Ų8837%0.37148%0.48SS..EExtended strand (participates in β ladder)trans-133.7128.4175.4-171.80000110.4G16 E17S14-G16 PolarHBondContact O-N 2.97Å; S14-G16 VanDerWaalsContact O-N 3.14Å; S14-E17 PolarHBondContact N-O 3.09Å; S14-E17 PolarHBondContact O-N 3.22Å
15N84.6Confident85.4Confident146 Ų14687 Ų8778%0.78147%0.467SS*.THydrogen-bonded Turntrans5037.6-177.9-62.1-21000113.8E17N15-E17 VanDerWaalsContact C-N 3.29Å; N15-E17 PolarHBondContact O-N 3.34Å
16G84.6Confident85.9Confident71 Ų7185.4 Ų85.473%0.73247%0.466SS*.THydrogen-bonded Turntrans78.83.9179.800000115.4S14S14-G16 PolarHBondContact O-N 2.97Å; S14-G16 VanDerWaalsContact O-N 3.14Å
17E82.1Confident85.9Confident55 Ų5583.8 Ų83.826%0.25746%0.463SS..EExtended strand (participates in β ladder)trans-109.4143.2174.9-70.4-177.6-166.600111.1V13 S14 N15 F19 R44V13-E17 CarbonylContact C-O 3.59Å; V13-E17 WeakPolarHBondContact CA-O 3.31Å; S14-E17 PolarHBondContact N-O 3.09Å; S14-E17 PolarHBondContact O-N 3.22Å; N15-E17 VanDerWaalsContact C-N 3.29Å; N15-E17 PolarHBondContact O-N 3.34Å; E17-F19 HydrophobicContact CB-CE2 3.81Å; E17-F19 HydrophobicContact CB-CZ 4.01Å; E17-R44 IonicContact OE1-CZ 3.3Å; E17-R44 IonicContact OE1-NE 3.29Å; E17-R44 PolarHBondContact OE1-NE 2.69Å; E17-R44 VanDerWaalsContact OE1-NE 3.16Å; E17-R44 IonicContact OE1-NH1 2.64Å; E17-R44 PolarHBondContact OE1-NH1 3.3Å; E17-R44 IonicContact OE1-NH2 3.77Å; E17-R44 PolarHBondContact OE1-NH2 2.64Å; E17-R44 IonicContact OE2-CZ 3.16Å; E17-R44 IonicContact OE2-NE 2.84Å; E17-R44 IonicContact OE2-NH1 3.53Å; E17-R44 PolarHBondContact OE2-NH1 3.08Å; E17-R44 IonicContact OE2-NH2 2.63Å
18N87.5Confident85.9Confident115 Ų11580 Ų8062%0.61544%0.443SS*.EExtended strand (participates in β ladder)trans-92.8124.7177.4-63.6-10.4000109.2V13V13-N18 WeakPolarHBondContact CG2-OD1 3.45Å
19F83.7Confident85.8Confident67 Ų6780.7 Ų80.729%0.29445%0.449SS..EExtended strand (participates in β ladder)trans-110.3120.8175.5-63.9-83.6000109.1D11 V12 E17 L40D11-F19 WeakPolarHBondContact CA-O 3.35Å; V12-F19 PolarHBondContact N-O 2.83Å; V12-F19 PolarHBondContact O-N 3.05Å; E17-F19 HydrophobicContact CB-CE2 3.81Å; E17-F19 HydrophobicContact CB-CZ 4.01Å; F19-L40 HydrophobicContact CE1-CD2 4.38Å
20H86.3Confident85.4Confident145 Ų14578.9 Ų78.967%0.67146%0.457SS*.EExtended strand (participates in β ladder)trans-86.3117.7171-66.9-38.8000109D11D11-H20 VanDerWaalsContact CG-CE1 3.41Å; D11-H20 IonicContact OD1-CE1 2.99Å; D11-H20 PolarHBondContact OD1-CE1 2.78Å; D11-H20 VanDerWaalsContact OD1-CE1 3.29Å; D11-H20 IonicContact OD1-CG 2.84Å; D11-H20 IonicContact OD1-ND1 2.69Å; D11-H20 PolarHBondContact OD1-ND1 3.26Å; D11-H20 IonicContact OD2-CE1 3.58Å; D11-H20 PolarHBondContact OD2-CE1 3.08Å; D11-H20 VanDerWaalsContact OD2-CE1 3.3Å; D11-H20 IonicContact OD2-ND1 3.24Å
21L86.2Confident85.2Confident38 Ų3885.5 Ų85.520%0.19949%0.486CS..EExtended strand (participates in β ladder)trans-112.9129.3177.7-62.6176000109Q9 F10 V12 L28 H33Q9-L21 WeakPolarHBondContact CA-O 3.27Å; F10-L21 HydrophobicContact CD2-CB 3.94Å; F10-L21 HydrophobicContact CD2-CD1 4.19Å; F10-L21 HydrophobicContact CE2-CB 4.02Å; F10-L21 HydrophobicContact CE2-CD1 4.05Å; F10-L21 PolarHBondContact N-O 3.4Å; F10-L21 PolarHBondContact O-N 2.88Å; F10-L21 VanDerWaalsContact O-N 3.08Å; V12-L21 HydrophobicContact CB-CD1 4.46Å; V12-L21 HydrophobicContact CG2-CD1 3.78Å; L21-L28 HydrophobicContact CB-CD2 3.97Å; L21-H33 VanDerWaalsContact CD2-CE1 3.45Å; L21-H33 WeakPolarHBondContact CD2-CE1 3.35Å
22E87.4Confident84.9Confident118 Ų11883.4 Ų83.455%0.55148%0.48SS*.EExtended strand (participates in β ladder)trans-132.7131.5177.2178.8170.5-155.900109.3Q9Q9-E22 HydrophobicContact CG-CB 4.11Å; Q9-E22 HydrophobicContact CG-CG 3.84Å; Q9-E22 VanDerWaalsContact NE2-CD 3.3Å; Q9-E22 PolarHBondContact NE2-OE1 2.98Å
23G86.8Confident84.8Confident9 Ų983.3 Ų83.39%0.09348%0.476CS..EExtended strand (participates in β ladder)trans162.8-174.2-179.200000113.4V8V8-G23 PolarHBondContact N-O 3.23Å; V8-G23 PolarHBondContact O-N 2.86Å; V8-G23 VanDerWaalsContact O-N 3.16Å
24H85.6Confident84.4Confident68 Ų6884.3 Ų84.332%0.31548%0.482SS..  trans-73.6146.2171-62.5-66.7000109.8C26 T27 L28H24-C26 PolarHBondContact O-N 3.29Å; H24-T27 HydrophobicContact CB-CG2 4.3Å; H24-T27 PolarHBondContact N-OG1 3.26Å; H24-T27 VanDerWaalsContact N-OG1 3.08Å; H24-T27 PolarHBondContact O-N 3.39Å; H24-T27 PolarHBondContact O-OG1 3.33Å; H24-L28 WeakPolarHBondContact O-CG 3.2Å; H24-L28 PolarHBondContact O-N 3.08Å; H24-L28 VanDerWaalsContact O-N 3.09Å
25L83.2Confident84.1Confident104 Ų10485.2 Ų85.255%0.54549%0.486SS..THydrogen-bonded Turntrans-51.4-36.3178.7-88.7153.5000113.1V8 F10 T27V8-L25 HydrophobicContact CB-CG 4.4Å; V8-L25 HydrophobicContact CG2-CD1 3.84Å; V8-L25 HydrophobicContact CG2-CG 3.78Å; F10-L25 HydrophobicContact CE1-CD2 4.42Å; L25-T27 VanDerWaalsContact C-N 3.35Å
26C82.5Confident83.6Confident102 Ų10283 Ų8369%0.68948%0.479SS*.THydrogen-bonded Turntrans-70.3-26.5176.958.80000113.8H24H24-C26 PolarHBondContact O-N 3.29Å
27T82.9Confident83.1Confident65 Ų6584.2 Ų84.240%0.39947%0.465SS..THydrogen-bonded Turntrans-86-25.5177.959.30000112.3H24 L25 S29 H33H24-T27 HydrophobicContact CB-CG2 4.3Å; H24-T27 PolarHBondContact N-OG1 3.26Å; H24-T27 VanDerWaalsContact N-OG1 3.08Å; H24-T27 PolarHBondContact O-N 3.39Å; H24-T27 PolarHBondContact O-OG1 3.33Å; L25-T27 VanDerWaalsContact C-N 3.35Å; T27-S29 PolarHBondContact O-N 2.81Å; T27-H33 VanDerWaalsContact O-CA 3.27Å; T27-H33 WeakPolarHBondContact O-CA 3.41Å; T27-H33 WeakPolarHBondContact O-CB 3.48Å
28L84.7Confident82.6Confident17 Ų1790.4 Ų90.49%0.08949%0.486CS..SBendtrans-84.815.7-178-61.7177.6000113.9V8 F10 L21 H24 H33V8-L28 WeakPolarHBondContact O-CD1 3.45Å; F10-L28 HydrophobicContact CD2-CD1 4.45Å; F10-L28 HydrophobicContact CE1-CD1 3.63Å; F10-L28 HydrophobicContact CE2-CB 3.8Å; F10-L28 HydrophobicContact CE2-CD1 3.55Å; F10-L28 HydrophobicContact CE2-CG 4.17Å; F10-L28 HydrophobicContact CZ-CB 3.48Å; F10-L28 VanDerWaalsContact CZ-CB 3.48Å; F10-L28 HydrophobicContact CZ-CD1 3.08Å; F10-L28 HydrophobicContact CZ-CG 3.87Å; L21-L28 HydrophobicContact CB-CD2 3.97Å; H24-L28 WeakPolarHBondContact O-CG 3.2Å; H24-L28 PolarHBondContact O-N 3.08Å; H24-L28 VanDerWaalsContact O-N 3.09Å; L28-H33 VanDerWaalsContact CD2-CD2 3.41Å; L28-H33 WeakPolarHBondContact CD2-CD2 3.08Å
29S84.6Confident82Confident47 Ų4790.8 Ų90.833%0.32949%0.488SS..  trans-66.7138.1175.3166.90000111.3T27 F31 S32 H33T27-S29 PolarHBondContact O-N 2.81Å; S29-F31 PolarHBondContact O-N 3.06Å; S29-F31 PolarHBondContact OG-N 2.9Å; S29-S32 WeakPolarHBondContact CB-OG 3.4Å; S29-S32 PolarHBondContact O-N 3.34Å; S29-S32 VanDerWaalsContact O-N 3.08Å; S29-H33 WeakPolarHBondContact O-CB 3.36Å; S29-H33 PolarHBondContact O-N 3.15Å
30A81.4Confident81.8Confident98 Ų9889.9 Ų89.981%0.8149%0.486SS*.THydrogen-bonded Turntrans-55.3-22.8178.600000114
31F83.9Confident81.6Confident204 Ų20485.8 Ų85.890%0.89547%0.472SS*.THydrogen-bonded Turntrans-98-17.2-178.3-59.1-73.2000114.3S29S29-F31 PolarHBondContact O-N 3.06Å; S29-F31 PolarHBondContact OG-N 2.9Å
32S83.8Confident81.6Confident67 Ų6788.5 Ų88.547%0.46948%0.482SS..THydrogen-bonded Turntrans-126.9-5.5-174.166.60000114.2S29 V34S29-S32 WeakPolarHBondContact CB-OG 3.4Å; S29-S32 PolarHBondContact O-N 3.34Å; S29-S32 VanDerWaalsContact O-N 3.08Å; S32-V34 PolarHBondContact O-N 3.13Å
33H84.7Confident81.3Confident60 Ų6089.1 Ų89.128%0.27849%0.489SS..  trans-67.2118.5179.5179.8-89.7000111L21 T27 L28 S29L21-H33 VanDerWaalsContact CD2-CE1 3.45Å; L21-H33 WeakPolarHBondContact CD2-CE1 3.35Å; T27-H33 VanDerWaalsContact O-CA 3.27Å; T27-H33 WeakPolarHBondContact O-CA 3.41Å; T27-H33 WeakPolarHBondContact O-CB 3.48Å; L28-H33 VanDerWaalsContact CD2-CD2 3.41Å; L28-H33 WeakPolarHBondContact CD2-CD2 3.08Å; S29-H33 WeakPolarHBondContact O-CB 3.36Å; S29-H33 PolarHBondContact O-N 3.15Å
34V81.5Confident81.1Confident121 Ų12194 Ų9473%0.73351%0.505SS*.  trans-113.8111.3173.7-177.50000108S32S32-V34 PolarHBondContact O-N 3.13Å
35P77.4Confident80.9Confident73 Ų7392.5 Ų92.547%0.47450%0.501SS..  trans-68.1136.9179.227.2-32.5000110.5
36T74.6Confident81Confident100 Ų10095 Ų9561%0.61350%0.504SS*.SBendtrans-71-36.9175.749.10000111.8
37H73.6Confident81Confident95 Ų9592 Ų9244%0.4448%0.48SS..SBendtrans-117136.3178.6-60-72.7000111.1N39H37-N39 PolarHBondContact O-N 3.16Å
38R72.8Confident81.2Confident186 Ų18691 Ų9170%0.70247%0.471SS*.  trans-91.983.1172.1-90.1-179.3140.7144.5-3.5109.8L40 E51R38-L40 HydrophobicContact CG-CD1 4.46Å; R38-L40 PolarHBondContact O-N 3.06Å; R38-L40 VanDerWaalsContact O-N 3.11Å; R38-E51 VanDerWaalsContact O-CD 3.25Å; R38-E51 WeakPolarHBondContact O-CG 3.45Å; R38-E51 VanDerWaalsContact O-OE1 3.09Å
39N74.4Confident80.9Confident122 Ų12291 Ų9165%0.65247%0.473SS*.  trans-86.348.2175.3-63.1-5.7000111.9H37 E51H37-N39 PolarHBondContact O-N 3.16Å; N39-E51 VanDerWaalsContact CA-OE1 3.27Å; N39-E51 WeakPolarHBondContact CA-OE1 3.33Å
40L78.7Confident80.7Confident49 Ų4993 Ų9326%0.25749%0.487SS..  trans-95140.5-178-76.3153.1000109.4F19 R38 K42 R44F19-L40 HydrophobicContact CE1-CD2 4.38Å; R38-L40 HydrophobicContact CG-CD1 4.46Å; R38-L40 PolarHBondContact O-N 3.06Å; R38-L40 VanDerWaalsContact O-N 3.11Å; L40-K42 PolarHBondContact O-N 2.97Å; L40-R44 HydrophobicContact CB-CB 4.45Å; L40-R44 HydrophobicContact CD2-CB 4.44Å
41P83.3Confident80.2Confident59 Ų5993.8 Ų93.838%0.38347%0.474SS..  trans-56145.2173.522.1-31000110.2D43 R44P41-D43 PolarHBondContact O-N 2.82Å; P41-R44 HydrophobicContact CG-CG 4.19Å; P41-R44 PolarHBondContact O-N 3.38Å
42K85.1Confident79.7Confident94 Ų9489.9 Ų89.941%0.40946%0.457SS..G310 helixtrans-41.9-46.8-177178.2170.8178-173.40112.1L40 R44 T45 N48L40-K42 PolarHBondContact O-N 2.97Å; K42-R44 PolarHBondContact O-N 3.24Å; K42-R44 VanDerWaalsContact O-N 3.15Å; K42-T45 WeakPolarHBondContact O-CB 3.09Å; K42-T45 PolarHBondContact O-N 3.3Å; K42-T45 PolarHBondContact O-OG1 3.43Å; K42-N48 WeakPolarHBondContact CE-O 3.44Å; K42-N48 HydrophobicContact CG-CB 4.49Å; K42-N48 VanDerWaalsContact CG-O 3.32Å; K42-N48 WeakPolarHBondContact CG-O 3.48Å; K42-N48 VanDerWaalsContact O-CA 3.31Å; K42-N48 WeakPolarHBondContact O-CA 3.45Å
43D82.7Confident79.1Confident132 Ų13296.4 Ų96.471%0.70648%0.477SS*.G310 helixtrans-65.7-15.5-175.2-54.9-26.6000114.9P41 N48P41-D43 PolarHBondContact O-N 2.82Å; D43-N48 PolarHBondContact O-OD1 2.89Å
44R81.6Confident78.3Confident111 Ų11199.1 Ų99.142%0.41949%0.489SS..G310 helixtrans-94.5-7.2174.5-70.7-171.5178.1-172.7-2.1113.4E17 L40 P41 K42E17-R44 IonicContact OE1-CZ 3.3Å; E17-R44 IonicContact OE1-NE 3.29Å; E17-R44 PolarHBondContact OE1-NE 2.69Å; E17-R44 VanDerWaalsContact OE1-NE 3.16Å; E17-R44 IonicContact OE1-NH1 2.64Å; E17-R44 PolarHBondContact OE1-NH1 3.3Å; E17-R44 IonicContact OE1-NH2 3.77Å; E17-R44 PolarHBondContact OE1-NH2 2.64Å; E17-R44 IonicContact OE2-CZ 3.16Å; E17-R44 IonicContact OE2-NE 2.84Å; E17-R44 IonicContact OE2-NH1 3.53Å; E17-R44 PolarHBondContact OE2-NH1 3.08Å; E17-R44 IonicContact OE2-NH2 2.63Å; L40-R44 HydrophobicContact CB-CB 4.45Å; L40-R44 HydrophobicContact CD2-CB 4.44Å; P41-R44 HydrophobicContact CG-CG 4.19Å; P41-R44 PolarHBondContact O-N 3.38Å; K42-R44 PolarHBondContact O-N 3.24Å; K42-R44 VanDerWaalsContact O-N 3.15Å
45T82.5Confident77.7Confident37 Ų37100.3 Ų100.323%0.22749%0.487CS..SBendtrans-81150.8174.869.70000110.3K42 F47 N48 S49K42-T45 WeakPolarHBondContact O-CB 3.09Å; K42-T45 PolarHBondContact O-N 3.3Å; K42-T45 PolarHBondContact O-OG1 3.43Å; T45-F47 PolarHBondContact O-N 3.1Å; T45-N48 PolarHBondContact O-N 3.29Å; T45-N48 VanDerWaalsContact O-N 3.11Å; T45-N48 PolarHBondContact O-OD1 3.29Å; T45-N48 WeakPolarHBondContact OG1-CA 3.45Å; T45-N48 PolarHBondContact OG1-N 3.35Å; T45-S49 PolarHBondContact OG1-N 3.31Å; T45-S49 VanDerWaalsContact OG1-N 3.08Å; T45-S49 PolarHBondContact OG1-O 3.13Å
46Y83.6Confident77.1Confident156 Ų15699.9 Ų99.961%0.61248%0.481SS*.THydrogen-bonded Turntrans-56.5-36.8-177.7179.2-96.3000113.6K96Y46-K96 PolarHBondContact O-NZ 3.04Å
47F83Confident76.8Confident40 Ų4098.5 Ų98.518%0.17547%0.474CS..THydrogen-bonded Turntrans-96.22.1-178.5-69.3-62.9000114.4T45 S49 I89 E92 E93 K96T45-F47 PolarHBondContact O-N 3.1Å; F47-S49 PolarHBondContact O-N 2.81Å; F47-I89 HydrophobicContact CE1-CG2 4.07Å; F47-I89 HydrophobicContact CZ-CG2 4.21Å; F47-E92 HydrophobicContact CB-CB 4.1Å; F47-E92 HydrophobicContact CD1-CB 3.98Å; F47-E92 HydrophobicContact CD2-CB 4.29Å; F47-E92 WeakPolarHBondContact CD2-OE2 3.32Å; F47-E92 WeakPolarHBondContact CE2-OE2 3.47Å; F47-E92 HydrophobicContact CG-CB 3.88Å; F47-E93 HydrophobicContact CD1-CG 3.81Å; F47-E93 HydrophobicContact CE1-CG 3.73Å; F47-K96 WeakPolarHBondContact O-CG 3.32Å
48N86.6Confident76.9Confident42 Ų4297.4 Ų97.423%0.22548%0.476CS..  trans44.850.4-166.4-60.1-12.4000110.6K42 D43 T45 K96K42-N48 WeakPolarHBondContact CE-O 3.44Å; K42-N48 HydrophobicContact CG-CB 4.49Å; K42-N48 VanDerWaalsContact CG-O 3.32Å; K42-N48 WeakPolarHBondContact CG-O 3.48Å; K42-N48 VanDerWaalsContact O-CA 3.31Å; K42-N48 WeakPolarHBondContact O-CA 3.45Å; D43-N48 PolarHBondContact O-OD1 2.89Å; T45-N48 PolarHBondContact O-N 3.29Å; T45-N48 VanDerWaalsContact O-N 3.11Å; T45-N48 PolarHBondContact O-OD1 3.29Å; T45-N48 WeakPolarHBondContact OG1-CA 3.45Å; T45-N48 PolarHBondContact OG1-N 3.35Å; N48-K96 HydrophobicContact CB-CG 4.26Å
49S80Confident77.2Confident19 Ų1994.7 Ų94.713%0.13347%0.474CS..  trans-112.1151.9179.666.30000110.2T45 F47T45-S49 PolarHBondContact OG1-N 3.31Å; T45-S49 VanDerWaalsContact OG1-N 3.08Å; T45-S49 PolarHBondContact OG1-O 3.13Å; F47-S49 PolarHBondContact O-N 2.81Å
50S78.6Confident77.8Confident89 Ų8996 Ų9662%0.62247%0.471SS*.PPolyproline II helixtrans-59.3155.8167.851.60000109.8K52S50-K52 PolarHBondContact O-N 2.88Å
51E71.6Confident78Confident113 Ų11397.3 Ų97.353%0.52848%0.478SS..PPolyproline II helixtrans-50128.7176.2-79.6169.1-14800111.3R38 N39R38-E51 VanDerWaalsContact O-CD 3.25Å; R38-E51 WeakPolarHBondContact O-CG 3.45Å; R38-E51 VanDerWaalsContact O-OE1 3.09Å; N39-E51 VanDerWaalsContact CA-OE1 3.27Å; N39-E51 WeakPolarHBondContact CA-OE1 3.33Å
52K74Confident77.8Confident123 Ų12397.6 Ų97.654%0.53548%0.481SS..PPolyproline II helixtrans-76.1133.9165.7-70.1-179.1174.5176.90107S50 Q54 E92S50-K52 PolarHBondContact O-N 2.88Å; K52-Q54 PolarHBondContact O-N 3.22Å; K52-E92 IonicContact NZ-OE1 3.43Å; K52-E92 PolarHBondContact NZ-OE1 2.85Å; K52-E92 IonicContact NZ-OE2 2.63Å; K52-E92 PolarHBondContact NZ-OE2 3.05Å
53K70.2Confident77.6Confident204 Ų20498.7 Ų98.789%0.88749%0.49SS*.  trans-58.2108.2171.3-65.6-175.1179.6-177.10107.5E55K53-E55 PolarHBondContact O-N 3.4Å
54Q68.3Low77.7Confident116 Ų11698.5 Ų98.554%0.54248%0.483SS..  trans-68.7115.7167.6-79.5176.6-49.600106.6K52 N56K52-Q54 PolarHBondContact O-N 3.22Å; Q54-N56 VanDerWaalsContact C-N 3.26Å; Q54-N56 PolarHBondContact O-N 3.34Å
55E67.9Low77.6Confident146 Ų14695.6 Ų95.668%0.68248%0.48SS*.SBendtrans-63.4-36.3-178.1-66.2178.3161.800111K53 R80K53-E55 PolarHBondContact O-N 3.4Å; E55-R80 IonicContact OE2-NH2 3.3Å; E55-R80 PolarHBondContact OE2-NH2 3.38Å
56N65.4Low77.1Confident65 Ų65102.5 Ų102.535%0.34851%0.507SS..  trans-124101.9-175.3-63.2-17.1000110.7Q54 C58 D61Q54-N56 VanDerWaalsContact C-N 3.26Å; Q54-N56 PolarHBondContact O-N 3.34Å; N56-C58 VanDerWaalsContact C-N 3.31Å; N56-D61 HydrophobicContact CB-CB 4.14Å
57P68.4Low76.5Confident71 Ų7199.9 Ų99.946%0.46150%0.5SS..  trans-75.6-22.6178.230.8-34.8000112.5
58C76Confident75.9Confident72 Ų72105 Ų10549%0.48653%0.529SS..SBendtrans-100.2136.2-174.4-127.30000111.6N56 Y60 D61 S62N56-C58 VanDerWaalsContact C-N 3.31Å; C58-Y60 PolarHBondContact O-N 2.92Å; C58-D61 PolarHBondContact O-N 3.25Å; C58-D61 VanDerWaalsContact O-N 3.15Å; C58-S62 PolarHBondContact O-N 3.17Å; C58-S62 VanDerWaalsContact O-N 3.13Å
59I79.7Confident75.3Confident129 Ų129109.9 Ų109.966%0.66256%0.556SS**Hα-helixtrans-59.5-35.4179.8-59.6174.6000111.1S62 I63I59-S62 PolarHBondContact O-N 3.1Å; I59-S62 PolarHBondContact O-OG 3.41Å; I59-I63 HydrophobicContact CG2-CD1 3.7Å; I59-I63 HydrophobicContact CG2-CG1 4.31Å; I59-I63 VanDerWaalsContact O-CG1 3.31Å; I59-I63 WeakPolarHBondContact O-CG1 3.36Å; I59-I63 PolarHBondContact O-N 3.1Å
60Y85.8Confident75.2Confident150 Ų150116.8 Ų116.859%0.58858%0.583SS**Hα-helixtrans-59.8-50.1177.1-179.4-93.4000111.1C58 S62 I63 F64C58-Y60 PolarHBondContact O-N 2.92Å; Y60-S62 VanDerWaalsContact C-N 3.27Å; Y60-S62 PolarHBondContact O-N 3.45Å; Y60-I63 PolarHBondContact O-N 3.05Å; Y60-F64 HydrophobicContact CD1-CD2 4.29Å; Y60-F64 AromaticContact CD2-CD2 3.57Å; Y60-F64 HydrophobicContact CD2-CD2 3.57Å; Y60-F64 AromaticContact CD2-CE2 3.64Å; Y60-F64 HydrophobicContact CD2-CE2 3.64Å; Y60-F64 HydrophobicContact CE1-CD2 4.11Å; Y60-F64 AromaticContact CE2-CD2 3.36Å; Y60-F64 HydrophobicContact CE2-CD2 3.36Å; Y60-F64 AromaticContact CE2-CE2 3.33Å; Y60-F64 HydrophobicContact CE2-CE2 3.33Å; Y60-F64 HydrophobicContact CE2-CG 4.36Å; Y60-F64 HydrophobicContact CE2-CZ 4.31Å; Y60-F64 HydrophobicContact CG-CD2 4.05Å; Y60-F64 AromaticContact CZ-CD2 3.64Å; Y60-F64 WeakPolarHBondContact O-CD2 3.34Å; Y60-F64 PolarHBondContact O-N 3.1Å
61D83.7Confident75.4Confident75 Ų75115.2 Ų115.240%0.40157%0.568SS.*Hα-helixtrans-65.6-31.9-179.4-60.2-31.3000111.6N56 C58 S65N56-D61 HydrophobicContact CB-CB 4.14Å; C58-D61 PolarHBondContact O-N 3.25Å; C58-D61 VanDerWaalsContact O-N 3.15Å; D61-S65 WeakPolarHBondContact O-CA 3.37Å; D61-S65 WeakPolarHBondContact O-CB 3.27Å; D61-S65 PolarHBondContact O-N 3.28Å; D61-S65 PolarHBondContact O-OG 3.3Å
62S78.4Confident76.1Confident65 Ų65114.6 Ų114.646%0.45557%0.574SS.*Hα-helixtrans-72.7-32.3176.170.50000113.8C58 I59 Y60 S65C58-S62 PolarHBondContact O-N 3.17Å; C58-S62 VanDerWaalsContact O-N 3.13Å; I59-S62 PolarHBondContact O-N 3.1Å; I59-S62 PolarHBondContact O-OG 3.41Å; Y60-S62 VanDerWaalsContact C-N 3.27Å; Y60-S62 PolarHBondContact O-N 3.45Å; S62-S65 PolarHBondContact O-OG 2.97Å
63I81.9Confident76.5Confident118 Ų118116.9 Ų116.961%0.60558%0.584SS**Hα-helixtrans-75.9-39.5176.5-66.9168.6000110.8I59 Y60I59-I63 HydrophobicContact CG2-CD1 3.7Å; I59-I63 HydrophobicContact CG2-CG1 4.31Å; I59-I63 VanDerWaalsContact O-CG1 3.31Å; I59-I63 WeakPolarHBondContact O-CG1 3.36Å; I59-I63 PolarHBondContact O-N 3.1Å; Y60-I63 PolarHBondContact O-N 3.05Å
64F84.2Confident77.2Confident127 Ų127108.6 Ų108.656%0.55755%0.549SS*.Hα-helixtrans-99.20.7-175.2-68.6-75.2000114.1Y60 K66Y60-F64 HydrophobicContact CD1-CD2 4.29Å; Y60-F64 AromaticContact CD2-CD2 3.57Å; Y60-F64 HydrophobicContact CD2-CD2 3.57Å; Y60-F64 AromaticContact CD2-CE2 3.64Å; Y60-F64 HydrophobicContact CD2-CE2 3.64Å; Y60-F64 HydrophobicContact CE1-CD2 4.11Å; Y60-F64 AromaticContact CE2-CD2 3.36Å; Y60-F64 HydrophobicContact CE2-CD2 3.36Å; Y60-F64 AromaticContact CE2-CE2 3.33Å; Y60-F64 HydrophobicContact CE2-CE2 3.33Å; Y60-F64 HydrophobicContact CE2-CG 4.36Å; Y60-F64 HydrophobicContact CE2-CZ 4.31Å; Y60-F64 HydrophobicContact CG-CD2 4.05Å; Y60-F64 AromaticContact CZ-CD2 3.64Å; Y60-F64 WeakPolarHBondContact O-CD2 3.34Å; Y60-F64 PolarHBondContact O-N 3.1Å; F64-K66 PolarHBondContact O-N 3.43Å
65S79.5Confident77.9Confident50 Ų50110.5 Ų110.535%0.3556%0.558SS.*  trans-62.3109171.758.30000108.7D61 S62 E67D61-S65 WeakPolarHBondContact O-CA 3.37Å; D61-S65 WeakPolarHBondContact O-CB 3.27Å; D61-S65 PolarHBondContact O-N 3.28Å; D61-S65 PolarHBondContact O-OG 3.3Å; S62-S65 PolarHBondContact O-OG 2.97Å; S65-E67 PolarHBondContact O-N 2.6Å
66K71.7Confident78.7Confident182 Ų182110 Ų11079%0.79155%0.55SS*.  trans-77.4111.4168.1-68.2-177.3-179.9179.70107.1F64 D68F64-K66 PolarHBondContact O-N 3.43Å; K66-D68 PolarHBondContact O-N 3.11Å
67E71.8Confident79.3Confident102 Ų102112 Ų11248%0.47757%0.568SS.*  trans-75.4106.1162.2-65.7-172.4-17600106.4S65 D69 R80S65-E67 PolarHBondContact O-N 2.6Å; E67-D69 PolarHBondContact O-N 3.14Å; E67-R80 WeakPolarHBondContact OE1-CD 3.46Å; E67-R80 IonicContact OE1-CZ 3.3Å; E67-R80 VanDerWaalsContact OE1-CZ 3.24Å; E67-R80 IonicContact OE1-NE 3.71Å; E67-R80 PolarHBondContact OE1-NE 3.25Å; E67-R80 IonicContact OE1-NH1 3.08Å; E67-R80 PolarHBondContact OE1-NH1 3.49Å
68D70.3Confident79.7Confident146 Ų146114.3 Ų114.378%0.78158%0.577SS**  trans-69.8-10.5179.5-74.1-25.5000112.2K66 F70K66-D68 PolarHBondContact O-N 3.11Å; D68-F70 PolarHBondContact O-N 3.27Å
69D73.1Confident79.9Confident145 Ų145117.6 Ų117.678%0.77558%0.579SS**  trans-94.693.4-171.9-67.1-25.5000112.3E67 N71E67-D69 PolarHBondContact O-N 3.14Å; D69-N71 PolarHBondContact O-N 2.93Å
70F78.9Confident79.9Confident164 Ų164117.3 Ų117.372%0.71957%0.57SS**  trans-67115.2166.9176.6-106.7000110.6D68 P72D68-F70 PolarHBondContact O-N 3.27Å; F70-P72 HydrophobicContact CD1-CB 4.49Å; F70-P72 HydrophobicContact CE1-CB 3.78Å; F70-P72 HydrophobicContact CE1-CG 4.49Å; F70-P72 HydrophobicContact CZ-CB 4.32Å; F70-P72 WeakPolarHBondContact O-CD 3.34Å
71N83.5Confident79.8Confident57 Ų57114.2 Ų114.231%0.30556%0.56SS.*  trans-101.5104.2174.2-175-7.3000110.9D69 K73 L74 L85D69-N71 PolarHBondContact O-N 2.93Å; N71-K73 PolarHBondContact O-N 3.15Å; N71-K73 WeakPolarHBondContact OD1-CB 3.45Å; N71-K73 PolarHBondContact OD1-N 3.13Å; N71-K73 VanDerWaalsContact OD1-N 3.1Å; N71-L74 HydrophobicContact CB-CD1 3.92Å; N71-L74 HydrophobicContact CB-CG 4.23Å; N71-L74 PolarHBondContact O-N 2.99Å; N71-L74 VanDerWaalsContact O-N 3.13Å; N71-L85 WeakPolarHBondContact ND2-CD2 3.31Å
72P84.8Confident79.9Confident99 Ų99111.8 Ų111.864%0.64355%0.548SS*.THydrogen-bonded Turntrans-66.7-10-177.127.3-35.4000113.9F70F70-P72 HydrophobicContact CD1-CB 4.49Å; F70-P72 HydrophobicContact CE1-CB 3.78Å; F70-P72 HydrophobicContact CE1-CG 4.49Å; F70-P72 HydrophobicContact CZ-CB 4.32Å; F70-P72 WeakPolarHBondContact O-CD 3.34Å
73K83.5Confident80.2Confident171 Ų171117 Ų11774%0.74356%0.562SS**THydrogen-bonded Turntrans-81.3-18.7177.4-61.2178.7178.9175.30112.8N71N71-K73 PolarHBondContact O-N 3.15Å; N71-K73 WeakPolarHBondContact OD1-CB 3.45Å; N71-K73 PolarHBondContact OD1-N 3.13Å; N71-K73 VanDerWaalsContact OD1-N 3.1Å
74L84.5Confident80.3Confident31 Ų31116.5 Ų116.516%0.16256%0.56CS.*SBendtrans-73.7133.2175.1-69.4167000108.7N71 R76 D82 L85N71-L74 HydrophobicContact CB-CD1 3.92Å; N71-L74 HydrophobicContact CB-CG 4.23Å; N71-L74 PolarHBondContact O-N 2.99Å; N71-L74 VanDerWaalsContact O-N 3.13Å; L74-R76 WeakPolarHBondContact CB-O 3.44Å; L74-R76 PolarHBondContact O-N 3.17Å; L74-D82 HydrophobicContact CD2-CB 3.63Å; L74-L85 HydrophobicContact CD2-CB 4.16Å
75H83.9Confident80.2Confident156 Ų156113.3 Ų113.372%0.72255%0.549SS*.SBendtrans-68.3-24175.2179.4-103000111.4D82H75-D82 WeakPolarHBondContact CB-OD2 3.42Å
76R82.8Confident80.3Confident135 Ų135114.3 Ų114.351%0.50957%0.567SS.*  trans-135.2140.1174.3-50.5-157.777.999.16.3112L74 D78L74-R76 WeakPolarHBondContact CB-O 3.44Å; L74-R76 PolarHBondContact O-N 3.17Å; R76-D78 WeakPolarHBondContact CB-OD1 3.11Å; R76-D78 IonicContact NE-OD1 3.87Å
77S78.3Confident81Confident106 Ų106108.7 Ų108.774%0.74155%0.545SS*.THydrogen-bonded Turntrans-75.4-23.6-176.753.50000114.5R79S77-R79 VanDerWaalsContact C-N 3.32Å
78D78Confident81.5Confident120 Ų120109.1 Ų109.164%0.64255%0.547SS*.THydrogen-bonded Turntrans-85.2-1.5-177.361.4-48.7000113.8R76R76-D78 WeakPolarHBondContact CB-OD1 3.11Å; R76-D78 IonicContact NE-OD1 3.87Å
79R80.3Confident82.1Confident141 Ų141104.5 Ų104.553%0.53252%0.522SS..  trans-118.397.6-176.5-68.7-173.8178.6-173.9-2.9111.5S77 H81 D82S77-R79 VanDerWaalsContact C-N 3.32Å; R79-H81 PolarHBondContact O-N 3.22Å; R79-H81 VanDerWaalsContact O-N 3.1Å; R79-D82 HydrophobicContact CB-CB 4Å; R79-D82 PolarHBondContact O-N 3.08Å
80R78.4Confident82.4Confident123 Ų12399.6 Ų99.646%0.46450%0.496SS..THydrogen-bonded Turntrans-51.6-35.2179-165.4-176.8-175146.7-14.1113.9E55 E67E55-R80 IonicContact OE2-NH2 3.3Å; E55-R80 PolarHBondContact OE2-NH2 3.38Å; E67-R80 WeakPolarHBondContact OE1-CD 3.46Å; E67-R80 IonicContact OE1-CZ 3.3Å; E67-R80 VanDerWaalsContact OE1-CZ 3.24Å; E67-R80 IonicContact OE1-NE 3.71Å; E67-R80 PolarHBondContact OE1-NE 3.25Å; E67-R80 IonicContact OE1-NH1 3.08Å; E67-R80 PolarHBondContact OE1-NH1 3.49Å
81H83.3Confident82.5Confident85 Ų8597 Ų9739%0.39449%0.486SS..THydrogen-bonded Turntrans-119.730.9-174-57.8-53.3000114.3R79 K83 L84 L85 L87R79-H81 PolarHBondContact O-N 3.22Å; R79-H81 VanDerWaalsContact O-N 3.1Å; H81-K83 PolarHBondContact O-N 3.15Å; H81-L84 PolarHBondContact O-N 3.15Å; H81-L85 WeakPolarHBondContact CA-O 3.37Å; H81-L85 PolarHBondContact ND1-O 2.89Å; H81-L85 VanDerWaalsContact ND1-O 3.1Å; H81-L87 HydrophobicContact CB-CD1 3.89Å; H81-L87 HydrophobicContact CB-CD2 4.46Å; H81-L87 HydrophobicContact CB-CG 3.97Å
82D85.9Confident82.4Confident25 Ų2595.5 Ų95.513%0.13448%0.477CS..G310 helixtrans-57.6140.5175.4-167.129.3000111.1L74 H75 R79 L84 L85L74-D82 HydrophobicContact CD2-CB 3.63Å; H75-D82 WeakPolarHBondContact CB-OD2 3.42Å; R79-D82 HydrophobicContact CB-CB 4Å; R79-D82 PolarHBondContact O-N 3.08Å; D82-L84 PolarHBondContact O-N 2.67Å; D82-L84 VanDerWaalsContact O-N 3.1Å; D82-L85 WeakPolarHBondContact O-CB 3.44Å; D82-L85 PolarHBondContact O-N 3.11Å
83K85.6Confident82.3Confident174 Ų17491.1 Ų91.176%0.75745%0.448SS*.G310 helixtrans50.931.7-175.3-57.8-62.1-175.2178.60114.8H81 L85H81-K83 PolarHBondContact O-N 3.15Å; K83-L85 PolarHBondContact O-N 3Å
84L83.7Confident82.1Confident107 Ų10789 Ų8956%0.5644%0.439SS*.G310 helixtrans65.315.9-179.9-47.4171.1000113.8H81 D82 G86 L87 I89H81-L84 PolarHBondContact O-N 3.15Å; D82-L84 PolarHBondContact O-N 2.67Å; D82-L84 VanDerWaalsContact O-N 3.1Å; L84-G86 PolarHBondContact O-N 3.02Å; L84-L87 HydrophobicContact CD2-CD1 4.1Å; L84-L87 PolarHBondContact O-N 3.16Å; L84-L87 VanDerWaalsContact O-N 3.13Å; L84-I89 HydrophobicContact CD1-CD1 4.09Å; L84-I89 HydrophobicContact CD2-CD1 3.74Å; L84-I89 HydrophobicContact CG-CD1 4.33Å
85L82.9Confident81.9Confident61 Ų6192 Ų9232%0.31945%0.454SS..THydrogen-bonded Turntrans-62.8133.4174.7-108.3114.9000110.6N71 L74 H81 D82 K83 L87N71-L85 WeakPolarHBondContact ND2-CD2 3.31Å; L74-L85 HydrophobicContact CD2-CB 4.16Å; H81-L85 WeakPolarHBondContact CA-O 3.37Å; H81-L85 PolarHBondContact ND1-O 2.89Å; H81-L85 VanDerWaalsContact ND1-O 3.1Å; D82-L85 WeakPolarHBondContact O-CB 3.44Å; D82-L85 PolarHBondContact O-N 3.11Å; K83-L85 PolarHBondContact O-N 3Å; L85-L87 PolarHBondContact O-N 3.39Å
86G82.1Confident81.7Confident71 Ų7186.2 Ų86.273%0.73243%0.426SS*.THydrogen-bonded Turntrans74.9-0.8-176.700000114.7L84L84-G86 PolarHBondContact O-N 3.02Å
87L84.6Confident81.6Confident63 Ų6386.3 Ų86.333%0.3344%0.442SS..  trans-98.4114.9172-63.3177.8000109.8H81 L84 L85 I89H81-L87 HydrophobicContact CB-CD1 3.89Å; H81-L87 HydrophobicContact CB-CD2 4.46Å; H81-L87 HydrophobicContact CB-CG 3.97Å; L84-L87 HydrophobicContact CD2-CD1 4.1Å; L84-L87 PolarHBondContact O-N 3.16Å; L84-L87 VanDerWaalsContact O-N 3.13Å; L85-L87 PolarHBondContact O-N 3.39Å; L87-I89 VanDerWaalsContact C-N 3.26Å; L87-I89 HydrophobicContact CB-CD1 4.34Å; L87-I89 HydrophobicContact CB-CG1 4.11Å; L87-I89 PolarHBondContact O-N 2.84Å; L87-I89 VanDerWaalsContact O-N 3.15Å
88E84.2Confident81.5Confident111 Ų11187.8 Ų87.852%0.51944%0.441SS..  trans-90.853.3179.2-61.5-166143.500112N90 Q91 E92E88-N90 PolarHBondContact O-N 2.84Å; E88-N90 VanDerWaalsContact O-N 3.1Å; E88-Q91 HydrophobicContact CB-CB 4.1Å; E88-Q91 HydrophobicContact CB-CG 4.1Å; E88-Q91 WeakPolarHBondContact O-CB 2.93Å; E88-Q91 PolarHBondContact O-N 3.42Å; E88-Q91 PolarHBondContact OE1-NE2 3.31Å; E88-Q91 VanDerWaalsContact OE1-NE2 3.16Å; E88-Q91 PolarHBondContact OE2-NE2 3.16Å; E88-Q91 PolarHBondContact OE2-OE1 2.63Å; E88-E92 PolarHBondContact O-N 3.06Å
89I81.5Confident81.4Confident50 Ų5083.7 Ų83.726%0.25642%0.421SS..Hα-helixtrans-53.4-39.9-173-65.1167.1000112.2F47 L84 L87 E92 E93F47-I89 HydrophobicContact CE1-CG2 4.07Å; F47-I89 HydrophobicContact CZ-CG2 4.21Å; L84-I89 HydrophobicContact CD1-CD1 4.09Å; L84-I89 HydrophobicContact CD2-CD1 3.74Å; L84-I89 HydrophobicContact CG-CD1 4.33Å; L87-I89 VanDerWaalsContact C-N 3.26Å; L87-I89 HydrophobicContact CB-CD1 4.34Å; L87-I89 HydrophobicContact CB-CG1 4.11Å; L87-I89 PolarHBondContact O-N 2.84Å; L87-I89 VanDerWaalsContact O-N 3.15Å; I89-E92 PolarHBondContact O-N 2.59Å; I89-E93 HydrophobicContact CG2-CG 4.24Å; I89-E93 WeakPolarHBondContact O-CB 3.24Å; I89-E93 WeakPolarHBondContact O-CG 3.13Å; I89-E93 PolarHBondContact O-N 2.58Å
90N78.8Confident81.2Confident42 Ų4279.3 Ų79.323%0.22541%0.412CS..Hα-helixtrans-63.3-43.4178.1-175.3-14.5000111.6E88 E92 E93 K94 H108E88-N90 PolarHBondContact O-N 2.84Å; E88-N90 VanDerWaalsContact O-N 3.1Å; N90-E92 VanDerWaalsContact C-N 3.31Å; N90-E92 PolarHBondContact O-N 2.91Å; N90-E93 PolarHBondContact O-N 3.47Å; N90-K94 WeakPolarHBondContact O-CG 3.46Å; N90-K94 PolarHBondContact O-N 3.05Å; N90-K94 WeakPolarHBondContact OD1-CE 3.47Å; N90-H108 PolarHBondContact ND2-CD2 2.89Å
91Q81.2Confident80.9Confident110 Ų11078.1 Ų78.151%0.51441%0.414SS..Hα-helixtrans-64.5-40.4177.8-60.2-162.133.500111.3E88 K94E88-Q91 HydrophobicContact CB-CB 4.1Å; E88-Q91 HydrophobicContact CB-CG 4.1Å; E88-Q91 WeakPolarHBondContact O-CB 2.93Å; E88-Q91 PolarHBondContact O-N 3.42Å; E88-Q91 PolarHBondContact OE1-NE2 3.31Å; E88-Q91 VanDerWaalsContact OE1-NE2 3.16Å; E88-Q91 PolarHBondContact OE2-NE2 3.16Å; E88-Q91 PolarHBondContact OE2-OE1 2.63Å; Q91-K94 PolarHBondContact O-N 3.27Å
92E82.7Confident80Confident25 Ų2578.9 Ų78.912%0.11743%0.428CS..Hα-helixtrans-65-45176.9-70.7173.2-131.800112F47 K52 E88 I89 N90 K94 I95F47-E92 HydrophobicContact CB-CB 4.1Å; F47-E92 HydrophobicContact CD1-CB 3.98Å; F47-E92 HydrophobicContact CD2-CB 4.29Å; F47-E92 WeakPolarHBondContact CD2-OE2 3.32Å; F47-E92 WeakPolarHBondContact CE2-OE2 3.47Å; F47-E92 HydrophobicContact CG-CB 3.88Å; K52-E92 IonicContact NZ-OE1 3.43Å; K52-E92 PolarHBondContact NZ-OE1 2.85Å; K52-E92 IonicContact NZ-OE2 2.63Å; K52-E92 PolarHBondContact NZ-OE2 3.05Å; E88-E92 PolarHBondContact O-N 3.06Å; I89-E92 PolarHBondContact O-N 2.59Å; N90-E92 VanDerWaalsContact C-N 3.31Å; N90-E92 PolarHBondContact O-N 2.91Å; E92-K94 VanDerWaalsContact C-N 3.33Å; E92-K94 PolarHBondContact O-N 3.1Å; E92-I95 PolarHBondContact O-N 3.33Å
93E82.9Confident79.1Confident7 Ų780.9 Ų80.93%0.03345%0.445CS..Hα-helixtrans-68.8-27.6179.2-74.3-158.1157.300113.6F47 I89 N90 I95 K96 S100 S104F47-E93 HydrophobicContact CD1-CG 3.81Å; F47-E93 HydrophobicContact CE1-CG 3.73Å; I89-E93 HydrophobicContact CG2-CG 4.24Å; I89-E93 WeakPolarHBondContact O-CB 3.24Å; I89-E93 WeakPolarHBondContact O-CG 3.13Å; I89-E93 PolarHBondContact O-N 2.58Å; N90-E93 PolarHBondContact O-N 3.47Å; E93-I95 PolarHBondContact O-N 3.41Å; E93-I95 VanDerWaalsContact O-N 3.17Å; E93-K96 HydrophobicContact CG-CD 4.43Å; E93-K96 WeakPolarHBondContact O-CB 3.47Å; E93-K96 PolarHBondContact O-N 3.4Å; E93-S100 VanDerWaalsContact OE1-CB 3.24Å; E93-S100 WeakPolarHBondContact OE1-CB 3.47Å; E93-S100 PolarHBondContact OE1-OG 3.46Å; E93-S104 WeakPolarHBondContact OE2-CB 2.67Å; E93-S104 PolarHBondContact OE2-OG 3.29Å
94K78.4Confident78.2Confident127 Ų12773.1 Ų73.155%0.55241%0.412SS*.THydrogen-bonded Turntrans-59.8-25.6177.6-82.9175-175.4174.20113.7N90 Q91 E92 K96N90-K94 WeakPolarHBondContact O-CG 3.46Å; N90-K94 PolarHBondContact O-N 3.05Å; N90-K94 WeakPolarHBondContact OD1-CE 3.47Å; Q91-K94 PolarHBondContact O-N 3.27Å; E92-K94 VanDerWaalsContact C-N 3.33Å; E92-K94 PolarHBondContact O-N 3.1Å; K94-K96 VanDerWaalsContact C-N 3.29Å
95I79.3Confident77.2Confident94 Ų9471.9 Ų71.948%0.48241%0.405SS..THydrogen-bonded Turntrans-75.5-24.8179.1-59.2173.5000110.6E92 E93E92-I95 PolarHBondContact O-N 3.33Å; E93-I95 PolarHBondContact O-N 3.41Å; E93-I95 VanDerWaalsContact O-N 3.17Å
96K79.9Confident75.9Confident33 Ų3378 Ų7814%0.14343%0.425CS..SBendtrans-69.8136.3178.3-58.7177.271.2160.60110Y46 F47 N48 E93 K94 I98 S100Y46-K96 PolarHBondContact O-NZ 3.04Å; F47-K96 WeakPolarHBondContact O-CG 3.32Å; N48-K96 HydrophobicContact CB-CG 4.26Å; E93-K96 HydrophobicContact CG-CD 4.43Å; E93-K96 WeakPolarHBondContact O-CB 3.47Å; E93-K96 PolarHBondContact O-N 3.4Å; K94-K96 VanDerWaalsContact C-N 3.29Å; K96-I98 WeakPolarHBondContact CB-O 3.49Å; K96-I98 WeakPolarHBondContact CE-O 3.15Å; K96-I98 PolarHBondContact O-N 2.96Å; K96-S100 PolarHBondContact NZ-OG 3.44Å
97T80.7Confident75Confident138 Ų13877.6 Ų77.685%0.84742%0.421SS*.SBendtrans-61.3-36.8172.3-180000111.6
98I77.9Confident73.9Confident137 Ų13779.6 Ų79.670%0.70343%0.429SS*.SBendtrans-123.7117.7176.5-59.3169.1000107.4K96K96-I98 WeakPolarHBondContact CB-O 3.49Å; K96-I98 WeakPolarHBondContact CE-O 3.15Å; K96-I98 PolarHBondContact O-N 2.96Å
99P74.4Confident72.9Confident34 Ų3480.7 Ų80.722%0.22143%0.428CS..  trans-68.9145.6178.232.2-37.6000110.4L101 S104 I105P99-L101 VanDerWaalsContact C-N 3.35Å; P99-L101 WeakPolarHBondContact CB-O 3.39Å; P99-S104 WeakPolarHBondContact CB-OG 3.32Å; P99-I105 HydrophobicContact CB-CD1 4.09Å; P99-I105 HydrophobicContact CB-CG1 4.03Å; P99-I105 HydrophobicContact CG-CB 4.45Å; P99-I105 HydrophobicContact CG-CD1 3.49Å; P99-I105 VanDerWaalsContact CG-CD1 3.49Å; P99-I105 HydrophobicContact CG-CG1 3.78Å
100S76.3Confident71.9Confident49 Ų4984.5 Ų84.534%0.34345%0.448SS..SBendtrans-71.8-33.5176.7-5.50000111.6E93 K96E93-S100 VanDerWaalsContact OE1-CB 3.24Å; E93-S100 WeakPolarHBondContact OE1-CB 3.47Å; E93-S100 PolarHBondContact OE1-OG 3.46Å; K96-S100 PolarHBondContact NZ-OG 3.44Å
101L72.3Confident71.2Confident98 Ų9889.6 Ų89.651%0.51348%0.476SS..SBendtrans-115143.8177.6-67.2173.2000110.7P99 S103 S104P99-L101 VanDerWaalsContact C-N 3.35Å; P99-L101 WeakPolarHBondContact CB-O 3.39Å; L101-S103 PolarHBondContact O-N 3.38Å; L101-S104 PolarHBondContact O-N 3.03Å; L101-S104 PolarHBondContact O-OG 3.17Å
102S64.3Low70.4Confident100 Ų10091.7 Ų91.770%0.69948%0.483SS*.Hα-helixtrans-61.2-32.5176.452.80000112.2S104 Y106S102-S104 PolarHBondContact O-N 3.47Å; S102-Y106 WeakPolarHBondContact O-CA 2.97Å; S102-Y106 WeakPolarHBondContact O-CB 3.48Å; S102-Y106 PolarHBondContact O-N 3Å
103S67.9Low69.6Low68 Ų6895.7 Ų95.748%0.47651%0.505SS..Hα-helixtrans-73.6-18.6-175.158.90000115.5L101 I105 Y106L101-S103 PolarHBondContact O-N 3.38Å; S103-I105 VanDerWaalsContact C-N 3.32Å; S103-Y106 CarbonylContact C-O 3.16Å; S103-Y106 WeakPolarHBondContact CA-O 3.21Å; S103-Y106 VanDerWaalsContact O-O 3.07Å
104S65.5Low68.9Low11 Ų11101.3 Ų101.38%0.07753%0.534CS..Hα-helixtrans-71.2-31.7179.347.60000112.3E93 P99 L101 S102E93-S104 WeakPolarHBondContact OE2-CB 2.67Å; E93-S104 PolarHBondContact OE2-OG 3.29Å; P99-S104 WeakPolarHBondContact CB-OG 3.32Å; L101-S104 PolarHBondContact O-N 3.03Å; L101-S104 PolarHBondContact O-OG 3.17Å; S102-S104 PolarHBondContact O-N 3.47Å
105I63.5Low68.5Low80 Ų80102.9 Ų102.941%0.4154%0.544SS..Hα-helixtrans-95.6-38.9170.3-63.1-171.8000111.6P99 S103P99-I105 HydrophobicContact CB-CD1 4.09Å; P99-I105 HydrophobicContact CB-CG1 4.03Å; P99-I105 HydrophobicContact CG-CB 4.45Å; P99-I105 HydrophobicContact CG-CD1 3.49Å; P99-I105 VanDerWaalsContact CG-CD1 3.49Å; P99-I105 HydrophobicContact CG-CG1 3.78Å; S103-I105 VanDerWaalsContact C-N 3.32Å
106Y55.5Low68.2Low189 Ų189105.2 Ų105.274%0.74156%0.557SS**SBendtrans-87.2114.6-172.7-157.3-96.9000110.9S102 S103S102-Y106 WeakPolarHBondContact O-CA 2.97Å; S102-Y106 WeakPolarHBondContact O-CB 3.48Å; S102-Y106 PolarHBondContact O-N 3Å; S103-Y106 CarbonylContact C-O 3.16Å; S103-Y106 WeakPolarHBondContact CA-O 3.21Å; S103-Y106 VanDerWaalsContact O-O 3.07Å
107G62.3Low67.8Low63 Ų63110.4 Ų110.465%0.64959%0.586SS**SBendtrans108-22.3-179.500000114.8
108H62.8Low67.5Low105 Ų105110 Ų11049%0.48658%0.575SS.*  trans-101.922179.6-78.7-52000114.8N90 L110N90-H108 PolarHBondContact ND2-CD2 2.89Å; H108-L110 PolarHBondContact O-N 2.85Å
109R62.5Low67.5Low135 Ų135113.2 Ų113.251%0.50958%0.578SS.*G310 helixtrans-73.221.2171.5-61-170.5-179.7-171.6-1.2113.3N111 K112R109-N111 PolarHBondContact O-N 2.98Å; R109-N111 VanDerWaalsContact O-N 3.08Å; R109-K112 HydrophobicContact CB-CB 4.41Å; R109-K112 CarbonylContact O-C 3.57Å; R109-K112 WeakPolarHBondContact O-CA 3.4Å; R109-K112 PolarHBondContact O-N 2.71Å
110L61.5Low67.9Low129 Ų129118.7 Ų118.768%0.67560%0.598SS**G310 helixtrans-56.1-29.8178.9-63.8172.5000112.5H108 N113H108-L110 PolarHBondContact O-N 2.85Å; L110-N113 PolarHBondContact O-OD1 3.45Å
111N64.2Low68.1Low149 Ų149124.9 Ų124.980%0.79762%0.622SS**G310 helixtrans-80.6-19.3177.1-61.3-0.6000113R109R109-N111 PolarHBondContact O-N 2.98Å; R109-N111 VanDerWaalsContact O-N 3.08Å
112K63.7Low68.6Low155 Ų155124.9 Ų124.967%0.67462%0.622SS**SBendtrans-102.284.9170.3-76.6-176.3176.9-178.40106.4R109 I114R109-K112 HydrophobicContact CB-CB 4.41Å; R109-K112 CarbonylContact O-C 3.57Å; R109-K112 WeakPolarHBondContact O-CA 3.4Å; R109-K112 PolarHBondContact O-N 2.71Å; K112-I114 HydrophobicContact CB-CG1 4.49Å; K112-I114 PolarHBondContact O-N 3.08Å
113N65.9Low69.5Low109 Ų109132.1 Ų132.158%0.58363%0.634SS**  trans-60.686.3162.9-69.1-30.5000107.2L110 E115L110-N113 PolarHBondContact O-OD1 3.45Å; N113-E115 PolarHBondContact O-N 3.13Å
114I68.7Low70.2Confident124 Ų124134.8 Ų134.864%0.63664%0.642SS**SBendtrans-61.6-35.3176.4-61170.2000108.1K112K112-I114 HydrophobicContact CB-CG1 4.49Å; K112-I114 PolarHBondContact O-N 3.08Å
115E69.8Low71Confident161 Ų161138.9 Ų138.975%0.75266%0.661SS**SBendtrans-111.7134.5171-63.3-170.9171.700109.6N113 N117N113-E115 PolarHBondContact O-N 3.13Å; E115-N117 PolarHBondContact O-N 3.4Å; E115-N117 VanDerWaalsContact O-N 3.13Å
116N71.9Confident72Confident142 Ų142140 Ų14076%0.75967%0.667SS**  trans-63.3115.4167.1-75-23.1000107.2E118N116-E118 PolarHBondContact O-N 3.1Å
117N72.3Confident73.5Confident143 Ų143134.9 Ų134.977%0.76566%0.655SS**  trans-6785175.1-108.2-33.6000109.2E115 R119E115-N117 PolarHBondContact O-N 3.4Å; E115-N117 VanDerWaalsContact O-N 3.13Å; N117-R119 PolarHBondContact O-N 3.25Å
118E73.4Confident74.6Confident130 Ų130137.3 Ų137.361%0.60765%0.65SS**  trans-68119.1176.8-71.1-170.2146.400109.3N116 K120N116-E118 PolarHBondContact O-N 3.1Å; E118-K120 HydrophobicContact CB-CD 4.33Å; E118-K120 HydrophobicContact CB-CG 4.26Å; E118-K120 PolarHBondContact O-N 3.11Å; E118-K120 IonicContact OE1-NZ 2.6Å; E118-K120 PolarHBondContact OE1-NZ 2.94Å; E118-K120 WeakPolarHBondContact OE2-CD 3.46Å; E118-K120 WeakPolarHBondContact OE2-CE 3.42Å; E118-K120 IonicContact OE2-NZ 3.4Å; E118-K120 PolarHBondContact OE2-NZ 2.75Å
119R79.1Confident75.6Confident203 Ų203137.4 Ų137.477%0.76665%0.654SS**  trans-77.627.1-177.2-65.9-176.3165.4-176.8-3.3113.8N117 H121 N122N117-R119 PolarHBondContact O-N 3.25Å; R119-H121 PolarHBondContact O-N 2.83Å; R119-H121 VanDerWaalsContact O-N 3.11Å; R119-N122 HydrophobicContact CB-CB 4.41Å; R119-N122 WeakPolarHBondContact CG-ND2 3.3Å; R119-N122 PolarHBondContact O-N 3.26Å
120K82.4Confident76.5Confident149 Ų149137 Ų13765%0.64866%0.658SS**THydrogen-bonded Turntrans-58.5-26.2-173.5-76.6174.9176.2164.60113.7E118E118-K120 HydrophobicContact CB-CD 4.33Å; E118-K120 HydrophobicContact CB-CG 4.26Å; E118-K120 PolarHBondContact O-N 3.11Å; E118-K120 IonicContact OE1-NZ 2.6Å; E118-K120 PolarHBondContact OE1-NZ 2.94Å; E118-K120 WeakPolarHBondContact OE2-CD 3.46Å; E118-K120 WeakPolarHBondContact OE2-CE 3.42Å; E118-K120 IonicContact OE2-NZ 3.4Å; E118-K120 PolarHBondContact OE2-NZ 2.75Å
121H81.4Confident77.5Confident180 Ų180138.2 Ų138.283%0.83366%0.658SS**THydrogen-bonded Turntrans-120.317.7-176.8-52.5-50.6000113.7R119R119-H121 PolarHBondContact O-N 2.83Å; R119-H121 VanDerWaalsContact O-N 3.11Å
122N82Confident78.2Confident97 Ų97139.3 Ų139.352%0.51965%0.652SS.*  trans-66.4143.9174.8-86.21.5000110.4R119 I124R119-N122 HydrophobicContact CB-CB 4.41Å; R119-N122 WeakPolarHBondContact CG-ND2 3.3Å; R119-N122 PolarHBondContact O-N 3.26Å; N122-I124 PolarHBondContact O-N 3.46Å; N122-I124 VanDerWaalsContact O-N 3.1Å
123R82.8Confident78.8Confident253 Ų253141.7 Ų141.796%0.95566%0.657SS**  trans-62.6116170.9-68.9-178.7-177.2156.40.8108.4
124I82.1Confident79.5Confident123 Ų123147.2 Ų147.263%0.63167%0.67SS**  trans-95.6137.2172.8-56.6174.7000106.8N122 L126N122-I124 PolarHBondContact O-N 3.46Å; N122-I124 VanDerWaalsContact O-N 3.1Å; I124-L126 PolarHBondContact O-N 2.82Å
125M83.5Confident80Confident98 Ų98147.7 Ų147.748%0.48367%0.673SS.*  trans-69.673.7172.7-92.5-114.752.700110.6E128 N129M125-E128 HydrophobicContact CB-CB 4.37Å; M125-E128 HydrophobicContact CE-CB 3.59Å; M125-E128 HydrophobicContact CE-CG 3.36Å; M125-E128 HydrophobicContact SD-CB 4.15Å; M125-E128 HydrophobicContact SD-CG 3.86Å; M125-N129 WeakPolarHBondContact O-CB 3.05Å; M125-N129 PolarHBondContact O-N 3.49Å; M125-N129 VanDerWaalsContact O-N 3.12Å
126L84.9Confident80.1Confident102 Ų102143.3 Ų143.353%0.53467%0.671SS.*Hα-helixtrans-60-47.6-178.8-77.2168.9000111.5I124 E128 N129 E130I124-L126 PolarHBondContact O-N 2.82Å; L126-E128 PolarHBondContact O-N 3.31Å; L126-N129 PolarHBondContact O-N 3.43Å; L126-E130 VanDerWaalsContact O-CB 3.3Å; L126-E130 WeakPolarHBondContact O-CB 3.33Å; L126-E130 WeakPolarHBondContact O-CG 3.42Å; L126-E130 PolarHBondContact O-N 3.48Å
127V85.8Confident80Confident83 Ų83142.1 Ų142.150%0.50366%0.664SS.*Hα-helixtrans-61.5-47.3-177.1178.90000111.8N129 F131 Y132V127-N129 PolarHBondContact O-N 2.93Å; V127-F131 HydrophobicContact CG1-CD2 4.18Å; V127-F131 WeakPolarHBondContact O-CB 3.36Å; V127-F131 PolarHBondContact O-N 3.12Å; V127-Y132 HydrophobicContact CG1-CE2 4.21Å
128E85.4Confident79.9Confident114 Ų114142 Ų14253%0.53366%0.663SS.*Hα-helixtrans-63.6-41.9177.4-83.4-178.3-17600112.4M125 L126 Y132M125-E128 HydrophobicContact CB-CB 4.37Å; M125-E128 HydrophobicContact CE-CB 3.59Å; M125-E128 HydrophobicContact CE-CG 3.36Å; M125-E128 HydrophobicContact SD-CB 4.15Å; M125-E128 HydrophobicContact SD-CG 3.86Å; L126-E128 PolarHBondContact O-N 3.31Å; E128-Y132 PolarHBondContact O-N 2.99Å
129N83.7Confident79.7Confident107 Ų107144 Ų14457%0.57268%0.677SS**Hα-helixtrans-72.2-34-179.1-86.7-17.7000113.5M125 L126 V127M125-N129 WeakPolarHBondContact O-CB 3.05Å; M125-N129 PolarHBondContact O-N 3.49Å; M125-N129 VanDerWaalsContact O-N 3.12Å; L126-N129 PolarHBondContact O-N 3.43Å; V127-N129 PolarHBondContact O-N 2.93Å
130E83Confident78.9Confident126 Ų126145.2 Ų145.259%0.58970%0.697SS**Hα-helixtrans-92.4-43.8-174.3-69.7-178172.900113.1L126L126-E130 VanDerWaalsContact O-CB 3.3Å; L126-E130 WeakPolarHBondContact O-CB 3.33Å; L126-E130 WeakPolarHBondContact O-CG 3.42Å; L126-E130 PolarHBondContact O-N 3.48Å
131F80.8Confident78.7Confident155 Ų155145 Ų14568%0.6870%0.7SS**Hα-helixtrans-85.5-37.4-174.8-76.9-100000112.6V127 R133V127-F131 HydrophobicContact CG1-CD2 4.18Å; V127-F131 WeakPolarHBondContact O-CB 3.36Å; V127-F131 PolarHBondContact O-N 3.12Å; F131-R133 PolarHBondContact O-N 3.49Å
132Y79.1Confident78.6Confident172 Ų172143.2 Ų143.268%0.67569%0.693SS**SBendtrans-99.697.6-173.1-61.7-83000110.8V127 E128 R134V127-Y132 HydrophobicContact CG1-CE2 4.21Å; E128-Y132 PolarHBondContact O-N 2.99Å; Y132-R134 PolarHBondContact O-N 3.15Å
133R77.7Confident78.4Confident205 Ų205145.7 Ų145.777%0.77470%0.703SS**  trans-69.2129.3174.9-64.6-82.5-176.6178.2-1.4109.7F131 N135F131-R133 PolarHBondContact O-N 3.49Å; R133-N135 PolarHBondContact O-N 2.63Å; R133-N135 VanDerWaalsContact O-N 3.15Å
134R80.7Confident78.1Confident225 Ų225139.4 Ų139.485%0.84969%0.688SS**THydrogen-bonded Turntrans-60.7-24.5176.3-65.1-173.1-168.8138.75.3114.1Y132Y132-R134 PolarHBondContact O-N 3.15Å
135N77.9Confident77.9Confident134 Ų134140.4 Ų140.472%0.71769%0.691SS**THydrogen-bonded Turntrans-92.2-0.1-169.3-63.83000114.2R133 I137R133-N135 PolarHBondContact O-N 2.63Å; R133-N135 VanDerWaalsContact O-N 3.15Å; N135-I137 HydrophobicContact CB-CD1 4.24Å; N135-I137 HydrophobicContact CB-CG1 4.46Å; N135-I137 PolarHBondContact O-N 3.43Å
136G72.4Confident77.5Confident69 Ų69143.3 Ų143.371%0.71171%0.705SS**  trans62.610.3174.600000116.3
137I69.5Low77Confident117 Ų117146.2 Ų146.260%0.672%0.717SS**  trans-84.4116.2179.2-58.3163.7000108.5N135N135-I137 HydrophobicContact CB-CD1 4.24Å; N135-I137 HydrophobicContact CB-CG1 4.46Å; N135-I137 PolarHBondContact O-N 3.43Å
138N70.6Confident76.3Confident141 Ų141151.1 Ų151.175%0.75473%0.734SS**  trans-87.8128.6170.4-90.4-37.4000109.8
139L68.2Low75.5Confident170 Ų170154.2 Ų154.289%0.8975%0.751SS**  trans-101.535.9177.3-69.9168.4000112.1
140L62.9Low74.8Confident229 Ų229158.5 Ų158.5100%1.19977%0.767SS**  trans-83.80171.5-72.9170.8000111

Retrieved 140 of 140 residues in 33 ms (Link to these results)