A0A3Q0KUV5_SCHMA Loading...

Putative ubiquitin fusion degradaton protein

AlphaFold DB , UniProt , Accession A0A3Q0KUV5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 304 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
1M34.9Very low45.1Very low210 Ų210151.5 Ų151.5100%1.03476%0.761SS**  098.40-169.4171.6-176.500106.9F3M1-F3 HydrophobicContact CE-CE2 4.05Å; M1-F3 HydrophobicContact CE-CZ 3.96Å; M1-F3 HydrophobicContact CG-CE2 4.16Å; M1-F3 HydrophobicContact SD-CE2 4.22Å
2V38.8Very low47.5Very low122 Ų122144.7 Ų144.774%0.73974%0.735SS**  trans-93.5106.9-171.4-164.60000107.2F4V2-F4 HydrophobicContact CG1-CD2 4.42Å; V2-F4 HydrophobicContact CG1-CE2 4.25Å; V2-F4 PolarHBondContact O-N 2.84Å
3F40.5Very low50.1Low155 Ų155134.5 Ų134.568%0.6868%0.682SS**  trans-79.998.6173.9-85.3-87.8000108.9M1 H5M1-F3 HydrophobicContact CE-CE2 4.05Å; M1-F3 HydrophobicContact CE-CZ 3.96Å; M1-F3 HydrophobicContact CG-CE2 4.16Å; M1-F3 HydrophobicContact SD-CE2 4.22Å; F3-H5 PolarHBondContact O-N 2.75Å
4F40.4Very low52.8Low192 Ų192130.6 Ų130.684%0.84267%0.668SS**  trans-68.6104.9163.2-82.9-89.7000108.4V2 R6V2-F4 HydrophobicContact CG1-CD2 4.42Å; V2-F4 HydrophobicContact CG1-CE2 4.25Å; V2-F4 PolarHBondContact O-N 2.84Å; F4-R6 PolarHBondContact O-N 3.27Å
5H47.7Very low55.3Low165 Ų165124.9 Ų124.976%0.76464%0.642SS**  trans-73.3112.7164.6-95.966.3000108.6F3 I7F3-H5 PolarHBondContact O-N 2.75Å; H5-I7 PolarHBondContact O-N 2.79Å
6R38Very low57.7Low230 Ų230122 Ų12287%0.86864%0.637SS**  trans-59.9116.2168.5-150.9179.2-166.5168.41.2107.4F4 D8F4-R6 PolarHBondContact O-N 3.27Å; R6-D8 PolarHBondContact O-N 2.91Å
7I49.3Very low59.9Low140 Ų140115.7 Ų115.772%0.71860%0.603SS**  trans-79.499.7176.4-62.2171.3000107.1H5H5-I7 PolarHBondContact O-N 2.79Å
8D41Very low61.8Low117 Ų117116.8 Ų116.863%0.62660%0.598SS**  trans-73.3119.7161.4-89.4-34.1000108.5R6 S10 S11R6-D8 PolarHBondContact O-N 2.91Å; D8-S10 PolarHBondContact O-N 3.27Å; D8-S11 PolarHBondContact O-N 3.02Å; D8-S11 VanDerWaalsContact O-N 3.12Å
9N49Very low63.4Low154 Ų154110.7 Ų110.782%0.82457%0.566SS**THydrogen-bonded Turntrans-67.117.7-175.4-107.13.5000115.2
10S53.8Low64.9Low116 Ų116107.1 Ų107.181%0.81155%0.546SS*.THydrogen-bonded Turntrans-122.91.5170.781.20000114D8D8-S10 PolarHBondContact O-N 3.27Å
11S62.3Low66.1Low66 Ų66102.1 Ų102.146%0.46252%0.521SS..SBendtrans-85.2134.5-179-1740000111.2D8D8-S11 PolarHBondContact O-N 3.02Å; D8-S11 VanDerWaalsContact O-N 3.12Å
12P74.2Confident68.7Low69 Ų6992.5 Ų92.545%0.44847%0.473SS..  trans-58.7145.7170.826.8-34.2000110.1T14 V106P12-T14 PolarHBondContact O-N 3.45Å; P12-T14 PolarHBondContact O-OG1 3.12Å; P12-V106 HydrophobicContact CB-CG1 4.26Å; P12-V106 HydrophobicContact CG-CG1 4.27Å
13F81Confident70.8Confident12 Ų1290.5 Ų90.55%0.05347%0.465CS..  trans-46.6113.7172.1175.2-101.7000109.2T15 Y17 M41 A45 V48 L49 L52 F60 V106 N107F13-T15 HydrophobicContact CD1-CG2 4.49Å; F13-T15 HydrophobicContact CE1-CG2 3.59Å; F13-T15 HydrophobicContact CE2-CG2 4.1Å; F13-T15 HydrophobicContact CZ-CG2 3.36Å; F13-Y17 HydrophobicContact CE1-CE2 4.48Å; F13-Y17 HydrophobicContact CZ-CE2 4.27Å; F13-M41 HydrophobicContact CE1-CE 4.35Å; F13-A45 HydrophobicContact CZ-CB 4.09Å; F13-V48 HydrophobicContact CD2-CB 3.9Å; F13-V48 HydrophobicContact CD2-CG1 3.44Å; F13-V48 VanDerWaalsContact CD2-CG1 3.44Å; F13-V48 HydrophobicContact CE2-CB 3.65Å; F13-V48 HydrophobicContact CE2-CG1 3.65Å; F13-V48 HydrophobicContact CE2-CG2 4.15Å; F13-L49 HydrophobicContact CB-CD2 3.93Å; F13-L49 HydrophobicContact CD1-CD2 4.06Å; F13-L49 HydrophobicContact CD2-CD2 4.34Å; F13-L49 HydrophobicContact CG-CD2 3.86Å; F13-L52 HydrophobicContact CB-CD1 3.67Å; F13-L52 HydrophobicContact CD2-CD1 4.3Å; F13-L52 HydrophobicContact CG-CD1 4.5Å; F13-F60 HydrophobicContact CD1-CD1 4.45Å; F13-F60 HydrophobicContact CD1-CE1 4.07Å; F13-F60 HydrophobicContact CE1-CE1 4.25Å; F13-V106 CarbonylContact O-C 3.52Å; F13-V106 WeakPolarHBondContact O-CA 3.47Å; F13-N107 HydrophobicContact CB-CB 3.81Å; F13-N107 PolarHBondContact O-N 2.76Å
14T87.7Confident72.9Confident80 Ų8088.6 Ų88.649%0.49146%0.456SS..EExtended strand (participates in β ladder)trans-136117.6-178.3-610000107.5P12 V105 V106P12-T14 PolarHBondContact O-N 3.45Å; P12-T14 PolarHBondContact O-OG1 3.12Å; T14-V105 WeakPolarHBondContact CA-O 3.24Å; T14-V106 HydrophobicContact CG2-CG2 3.91Å
15T90.9Very high74.8Confident45 Ų4580.4 Ų80.428%0.27642%0.421SS..EExtended strand (participates in β ladder)trans-151.4158.4179.1-172.30000110.1F13 Y17 V105F13-T15 HydrophobicContact CD1-CG2 4.49Å; F13-T15 HydrophobicContact CE1-CG2 3.59Å; F13-T15 HydrophobicContact CE2-CG2 4.1Å; F13-T15 HydrophobicContact CZ-CG2 3.36Å; T15-Y17 HydrophobicContact CG2-CD2 3.69Å; T15-Y17 HydrophobicContact CG2-CE2 3.05Å; T15-V105 PolarHBondContact N-O 2.95Å; T15-V105 PolarHBondContact O-N 2.8Å
16S93.1Very high75.8Confident79 Ų7976.5 Ų76.555%0.55242%0.418SS*.EExtended strand (participates in β ladder)trans-102.7133.8175.7540000110.9V103S16-V103 VanDerWaalsContact CA-O 3.28Å; S16-V103 WeakPolarHBondContact CA-O 3.4Å
17Y94.7Very high77.2Confident15 Ų1569.3 Ų69.36%0.05940%0.397CS..EExtended strand (participates in β ladder)trans-126.8156.1176.1-70.5-68.1000110.7F13 T15 M41 P42 A45 I85 L102 V103 V105F13-Y17 HydrophobicContact CE1-CE2 4.48Å; F13-Y17 HydrophobicContact CZ-CE2 4.27Å; T15-Y17 HydrophobicContact CG2-CD2 3.69Å; T15-Y17 HydrophobicContact CG2-CE2 3.05Å; Y17-M41 HydrophobicContact CD2-CE 3.88Å; Y17-M41 HydrophobicContact CE2-CE 3.33Å; Y17-P42 HydrophobicContact CD1-CG 4.33Å; Y17-P42 HydrophobicContact CE1-CG 3.59Å; Y17-A45 WeakPolarHBondContact OH-CB 3.39Å; Y17-I85 HydrophobicContact CD1-CG2 4.22Å; Y17-I85 HydrophobicContact CD2-CG2 3.75Å; Y17-I85 HydrophobicContact CE2-CG2 4.41Å; Y17-I85 HydrophobicContact CG-CG2 3.64Å; Y17-L102 WeakPolarHBondContact O-CA 3.39Å; Y17-V103 PolarHBondContact N-O 2.54Å; Y17-V103 PolarHBondContact O-N 3.45Å; Y17-V105 HydrophobicContact CD2-CB 4.1Å; Y17-V105 HydrophobicContact CD2-CG2 3.7Å
18R94.3Very high78Confident136 Ų13670 Ų7051%0.51340%0.402SS..EExtended strand (participates in β ladder)trans-84124.1168.8-65.5-174.7-175.9-169.81109.6Y20 G83 R84 I85 G101 L102R18-Y20 HydrophobicContact CB-CD2 4.45Å; R18-Y20 HydrophobicContact CB-CE2 3.74Å; R18-G83 PolarHBondContact N-O 3.29Å; R18-G83 VanDerWaalsContact N-O 3.15Å; R18-R84 WeakPolarHBondContact O-CA 3.37Å; R18-I85 PolarHBondContact O-N 3.06Å; R18-G101 WeakPolarHBondContact CA-O 3.34Å; R18-L102 HydrophobicContact CG-CD2 3.84Å
19C93.4Very high79.1Confident0 Ų068.8 Ų68.80%039%0.391CS..EExtended strand (participates in β ladder)trans-87.2127.7177.8-70.60000111.2I85 V87 L92 G100 G101 V103C19-I85 WeakPolarHBondContact CA-O 3.42Å; C19-I85 HydrophobicContact CB-CG1 4.45Å; C19-I85 WeakPolarHBondContact SG-CD1 3.13Å; C19-I85 VanDerWaalsContact SG-CG1 3.6Å; C19-V87 HydrophobicContact CB-CG2 4.33Å; C19-L92 HydrophobicContact CB-CD1 4.18Å; C19-G100 WeakPolarHBondContact O-CA 3.47Å; C19-G100 PolarHBondContact O-N 3.27Å; C19-G101 PolarHBondContact N-O 2.88Å; C19-V103 HydrophobicContact CB-CG2 4.35Å; C19-V103 WeakPolarHBondContact SG-CG2 3.42Å
20Y93.2Very high80.1Confident39 Ų3966.1 Ų66.115%0.15337%0.37CS..EExtended strand (participates in β ladder)trans-121.9150169.2-66-83.8000110R18 R84 I85 Y86 V87R18-Y20 HydrophobicContact CB-CD2 4.45Å; R18-Y20 HydrophobicContact CB-CE2 3.74Å; Y20-R84 HydrophobicContact CD2-CB 4.12Å; Y20-R84 HydrophobicContact CD2-CG 4.23Å; Y20-R84 HydrophobicContact CE2-CB 4.21Å; Y20-R84 HydrophobicContact CE2-CG 3.84Å; Y20-I85 PolarHBondContact N-O 3.33Å; Y20-Y86 VanDerWaalsContact O-CA 3.3Å; Y20-Y86 WeakPolarHBondContact O-CA 3.45Å; Y20-V87 PolarHBondContact O-N 3.02Å
21P90.8Very high81.1Confident3 Ų364 Ų642%0.01935%0.354CS..EExtended strand (participates in β ladder)trans-67.6150.3171.924.1-26.1000110.3S23 F24 V87 E99P21-S23 PolarHBondContact O-N 3.17Å; P21-F24 HydrophobicContact CG-CD2 3.67Å; P21-F24 HydrophobicContact CG-CE2 3.69Å; P21-F24 PolarHBondContact O-N 2.97Å; P21-F24 VanDerWaalsContact O-N 3.11Å; P21-V87 WeakPolarHBondContact CA-O 3.47Å; P21-E99 HydrophobicContact CG-CG 4.06Å
22V87.8Confident81.8Confident7 Ų764.1 Ų64.14%0.04236%0.355CS..G310 helixtrans-54.3-23.7179.4-169.80000112.7F24 L25 R30 V33 V87V22-F24 PolarHBondContact O-N 3.06Å; V22-L25 HydrophobicContact CG1-CD1 4.32Å; V22-L25 WeakPolarHBondContact O-CB 3.38Å; V22-L25 PolarHBondContact O-N 3.11Å; V22-R30 HydrophobicContact CG1-CG 4.39Å; V22-V33 HydrophobicContact CG1-CB 3.97Å; V22-V33 HydrophobicContact CG1-CG1 4.12Å; V22-V33 HydrophobicContact CG1-CG2 4.48Å; V22-V33 HydrophobicContact CG2-CB 4.12Å; V22-V33 HydrophobicContact CG2-CG1 3.51Å; V22-V87 WeakPolarHBondContact CG2-O 3.47Å; V22-V87 PolarHBondContact N-O 3.23Å
23S84.6Confident82.1Confident80 Ų8060.9 Ų60.956%0.55933%0.334SS*.G310 helixtrans-53-27.9176.2-51.10000114.1P21P21-S23 PolarHBondContact O-N 3.17Å
24F82.5Confident82.3Confident115 Ų11564.4 Ų64.450%0.50435%0.351SS..G310 helixtrans-78-17.9178.5-77.5-97000114.1P21 V22 Y86 E99P21-F24 HydrophobicContact CG-CD2 3.67Å; P21-F24 HydrophobicContact CG-CE2 3.69Å; P21-F24 PolarHBondContact O-N 2.97Å; P21-F24 VanDerWaalsContact O-N 3.11Å; V22-F24 PolarHBondContact O-N 3.06Å; F24-Y86 HydrophobicContact CB-CD1 4.48Å; F24-Y86 HydrophobicContact CB-CE1 3.92Å; F24-E99 WeakPolarHBondContact CE2-OE2 3.44Å; F24-E99 WeakPolarHBondContact CZ-OE2 3.48Å
25L80.8Confident82Confident20 Ų2064.9 Ų64.911%0.10535%0.346CS..SBendtrans-74136.4173.6-82.3164.8000109.8V22 D27 R30 I40 Y86V22-L25 HydrophobicContact CG1-CD1 4.32Å; V22-L25 WeakPolarHBondContact O-CB 3.38Å; V22-L25 PolarHBondContact O-N 3.11Å; L25-D27 PolarHBondContact O-N 2.98Å; L25-R30 PolarHBondContact O-NE 3.04Å; L25-R30 PolarHBondContact O-NH2 3.17Å; L25-I40 HydrophobicContact CD1-CB 4.42Å; L25-I40 HydrophobicContact CD1-CD1 3.32Å; L25-I40 HydrophobicContact CD1-CG1 4.41Å; L25-Y86 HydrophobicContact CD1-CD1 3.99Å; L25-Y86 HydrophobicContact CD1-CD2 3.48Å; L25-Y86 VanDerWaalsContact CD1-CD2 3.48Å; L25-Y86 HydrophobicContact CD1-CE2 4.1Å; L25-Y86 HydrophobicContact CD1-CG 3.4Å; L25-Y86 VanDerWaalsContact CD1-CG 3.4Å; L25-Y86 HydrophobicContact CD2-CD2 3.68Å; L25-Y86 HydrophobicContact CD2-CE1 4.3Å; L25-Y86 HydrophobicContact CD2-CE2 3.39Å; L25-Y86 HydrophobicContact CD2-CG 4.23Å; L25-Y86 HydrophobicContact CG-CD1 3.71Å; L25-Y86 HydrophobicContact CG-CD2 3.55Å; L25-Y86 HydrophobicContact CG-CE1 3.81Å; L25-Y86 HydrophobicContact CG-CE2 3.65Å; L25-Y86 HydrophobicContact CG-CG 3.57Å
26A69.1Low81.7Confident84 Ų8462.8 Ų62.869%0.69433%0.334SS*.  trans-71.4-11.9-177.200000114R30A26-R30 VanDerWaalsContact C-NH1 3.3Å; A26-R30 PolarHBondContact O-NH1 3.24Å; A26-R30 PolarHBondContact O-NH2 2.94Å
27D67.3Low81.3Confident78 Ų7859.2 Ų59.242%0.41731%0.309SS..SBendtrans-92.7164-161.6-71.2-32.1000116.7L25 F29 R30L25-D27 PolarHBondContact O-N 2.98Å; D27-F29 HydrophobicContact CB-CD2 3.48Å; D27-F29 VanDerWaalsContact CB-CD2 3.48Å; D27-F29 HydrophobicContact CB-CE2 3.99Å; D27-F29 HydrophobicContact CB-CG 4.46Å; D27-F29 PolarHBondContact O-N 3.36Å; D27-F29 VanDerWaalsContact O-N 3.12Å; D27-R30 WeakPolarHBondContact O-CG 3.38Å; D27-R30 PolarHBondContact O-NH1 3.09Å
28N66.4Low81Confident154 Ų15461.6 Ų61.682%0.82432%0.32SS*.THydrogen-bonded Turntrans-64.9-8.5176.9-67.3-31.6000114R30N28-R30 PolarHBondContact O-N 3.16Å
29F64.9Low81Confident93 Ų9355.1 Ų55.141%0.40830%0.295SS..THydrogen-bonded Turntrans-72.1-9-178-56.9-68.1000114.1D27 S31 S32 V33D27-F29 HydrophobicContact CB-CD2 3.48Å; D27-F29 VanDerWaalsContact CB-CD2 3.48Å; D27-F29 HydrophobicContact CB-CE2 3.99Å; D27-F29 HydrophobicContact CB-CG 4.46Å; D27-F29 PolarHBondContact O-N 3.36Å; D27-F29 VanDerWaalsContact O-N 3.12Å; F29-S31 VanDerWaalsContact C-N 3.32Å; F29-S31 PolarHBondContact O-N 2.99Å; F29-S31 VanDerWaalsContact O-N 3.16Å; F29-S32 PolarHBondContact O-N 3.44Å; F29-S32 VanDerWaalsContact O-N 3.17Å; F29-V33 HydrophobicContact CB-CG2 4.11Å; F29-V33 VanDerWaalsContact O-CG2 3.3Å; F29-V33 WeakPolarHBondContact O-CG2 3.35Å; F29-V33 PolarHBondContact O-N 3.15Å; F29-V33 VanDerWaalsContact O-N 3.09Å
30R69.9Low81Confident98 Ų9855.2 Ų55.237%0.3730%0.296SS..Hα-helixtrans-45-51.6-174.1-74.5173.4-175.7104.3-14.6113.7V22 L25 A26 D27 N28 E34V22-R30 HydrophobicContact CG1-CG 4.39Å; L25-R30 PolarHBondContact O-NE 3.04Å; L25-R30 PolarHBondContact O-NH2 3.17Å; A26-R30 VanDerWaalsContact C-NH1 3.3Å; A26-R30 PolarHBondContact O-NH1 3.24Å; A26-R30 PolarHBondContact O-NH2 2.94Å; D27-R30 WeakPolarHBondContact O-CG 3.38Å; D27-R30 PolarHBondContact O-NH1 3.09Å; N28-R30 PolarHBondContact O-N 3.16Å; R30-E34 VanDerWaalsContact O-CB 3.26Å; R30-E34 WeakPolarHBondContact O-CB 3.42Å; R30-E34 PolarHBondContact O-N 3.19Å
31S74Confident81Confident70 Ų7053.3 Ų53.349%0.4929%0.289SS..Hα-helixtrans-73.6-32.9-172.461.80000113.4F29 K35F29-S31 VanDerWaalsContact C-N 3.32Å; F29-S31 PolarHBondContact O-N 2.99Å; F29-S31 VanDerWaalsContact O-N 3.16Å; S31-K35 WeakPolarHBondContact O-CB 3.46Å; S31-K35 WeakPolarHBondContact O-CD 3.46Å; S31-K35 WeakPolarHBondContact O-CG 3.44Å; S31-K35 PolarHBondContact O-N 3.01Å
32S76.6Confident81.2Confident69 Ų6953.2 Ų53.248%0.48329%0.288SS..Hα-helixtrans-75.9-38.2178.8-168.70000111.5F29 G36F29-S32 PolarHBondContact O-N 3.44Å; F29-S32 VanDerWaalsContact O-N 3.17Å; S32-G36 PolarHBondContact O-N 3.02Å
33V81.6Confident81.5Confident2 Ų255.8 Ų55.81%0.01230%0.304CS..Hα-helixtrans-70.8-42.7179-176.10000110V22 F29 K35 G36 K38 I40 L76 P88V22-V33 HydrophobicContact CG1-CB 3.97Å; V22-V33 HydrophobicContact CG1-CG1 4.12Å; V22-V33 HydrophobicContact CG1-CG2 4.48Å; V22-V33 HydrophobicContact CG2-CB 4.12Å; V22-V33 HydrophobicContact CG2-CG1 3.51Å; F29-V33 HydrophobicContact CB-CG2 4.11Å; F29-V33 VanDerWaalsContact O-CG2 3.3Å; F29-V33 WeakPolarHBondContact O-CG2 3.35Å; F29-V33 PolarHBondContact O-N 3.15Å; F29-V33 VanDerWaalsContact O-N 3.09Å; V33-K35 VanDerWaalsContact C-N 3.31Å; V33-K35 PolarHBondContact O-N 2.95Å; V33-G36 PolarHBondContact O-N 3.47Å; V33-G36 VanDerWaalsContact O-N 3.17Å; V33-K38 WeakPolarHBondContact CG1-O 3.3Å; V33-I40 HydrophobicContact CG2-CD1 4.04Å; V33-L76 HydrophobicContact CG2-CD2 3.63Å; V33-P88 HydrophobicContact CG1-CG 4.48Å; V33-P88 WeakPolarHBondContact O-CG 3.41Å
34E84.3Confident81.9Confident85 Ų8553.8 Ų53.840%0.39729%0.291SS..Hα-helixtrans-64.6-34.2-179.4-173.1171.8-160.800113.1R30 G36R30-E34 VanDerWaalsContact O-CB 3.26Å; R30-E34 WeakPolarHBondContact O-CB 3.42Å; R30-E34 PolarHBondContact O-N 3.19Å; E34-G36 VanDerWaalsContact C-N 3.32Å
35K82Confident82.4Confident90 Ų9048.3 Ų48.339%0.39127%0.266SS..Hα-helixtrans-73.1-22.9176.1-72.5175-173.9-174.90113.7S31 V33 F142 N154S31-K35 WeakPolarHBondContact O-CB 3.46Å; S31-K35 WeakPolarHBondContact O-CD 3.46Å; S31-K35 WeakPolarHBondContact O-CG 3.44Å; S31-K35 PolarHBondContact O-N 3.01Å; V33-K35 VanDerWaalsContact C-N 3.31Å; V33-K35 PolarHBondContact O-N 2.95Å; K35-F142 WeakPolarHBondContact O-CE2 3.43Å; K35-F142 WeakPolarHBondContact O-CZ 3.09Å; K35-N154 HydrophobicContact CD-CB 4.29Å; K35-N154 WeakPolarHBondContact CE-ND2 3.44Å; K35-N154 HydrophobicContact CG-CB 3.97Å
36G83.8Confident82.9Confident2 Ų250 Ų502%0.02128%0.276CS..SBendtrans-103.1-178.2-172.300000114.6S32 V33 E34 P88 W90 D141S32-G36 PolarHBondContact O-N 3.02Å; V33-G36 PolarHBondContact O-N 3.47Å; V33-G36 VanDerWaalsContact O-N 3.17Å; E34-G36 VanDerWaalsContact C-N 3.32Å; G36-P88 WeakPolarHBondContact O-CG 3.27Å; G36-W90 PolarHBondContact O-NE1 3.06Å; G36-W90 VanDerWaalsContact O-NE1 3.16Å; G36-D141 WeakPolarHBondContact CA-O 3.44Å
37G84.5Confident83.9Confident3 Ų350.4 Ų50.43%0.03127%0.266CS..SBendtrans-106.130.917500000114.2G74 D141G37-G74 PolarHBondContact O-N 2.96Å; G37-D141 PolarHBondContact N-O 3.17Å
38K90.4Very high85Confident65 Ų6548.7 Ų48.728%0.28326%0.258SS..EExtended strand (participates in β ladder)trans-115.4142.9-176.9-55.4175.1-174.3170.80110.8V33 G74 L76V33-K38 WeakPolarHBondContact CG1-O 3.3Å; K38-G74 CarbonylContact C-O 3.55Å; K38-G74 VanDerWaalsContact CA-O 3.27Å; K38-G74 WeakPolarHBondContact CA-O 3.47Å; K38-L76 HydrophobicContact CB-CB 3.74Å; K38-L76 HydrophobicContact CD-CB 4.23Å; K38-L76 HydrophobicContact CD-CD1 3.79Å
39I93.2Very high86.1Confident0 Ų041.4 Ų41.40%022%0.219CC..EExtended strand (participates in β ladder)trans-111.4161.1-179.865163.9000110.8M41 L62 C73 G74 L76 I85 Y86 V87 M91I39-M41 HydrophobicContact CD1-CG 3.77Å; I39-M41 HydrophobicContact CD1-SD 3.97Å; I39-M41 HydrophobicContact CG1-CG 4.14Å; I39-L62 HydrophobicContact CD1-CD2 4.47Å; I39-C73 HydrophobicContact CG2-CB 4.07Å; I39-G74 WeakPolarHBondContact CG1-O 3.2Å; I39-G74 PolarHBondContact N-O 2.97Å; I39-L76 PolarHBondContact O-N 3.02Å; I39-I85 HydrophobicContact CD1-CD1 4.48Å; I39-Y86 WeakPolarHBondContact CA-O 3.48Å; I39-Y86 WeakPolarHBondContact CB-O 3.41Å; I39-V87 HydrophobicContact CB-CG1 4.36Å; I39-V87 HydrophobicContact CG2-CB 4.23Å; I39-V87 HydrophobicContact CG2-CG1 3.76Å; I39-M91 HydrophobicContact CG2-CE 4.35Å; I39-M91 HydrophobicContact CG2-SD 3.86Å
40I93Very high87.3Confident2 Ų240.6 Ų40.61%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-107.7128.5172.9-59168.5000108.4L25 V33 E77 V79 A80 I85 Y86L25-I40 HydrophobicContact CD1-CB 4.42Å; L25-I40 HydrophobicContact CD1-CD1 3.32Å; L25-I40 HydrophobicContact CD1-CG1 4.41Å; V33-I40 HydrophobicContact CG2-CD1 4.04Å; I40-E77 WeakPolarHBondContact CA-O 3.3Å; I40-V79 HydrophobicContact CG2-CG2 3.6Å; I40-A80 HydrophobicContact CG2-CB 4.03Å; I40-I85 WeakPolarHBondContact O-CA 3.28Å; I40-Y86 HydrophobicContact CB-CD2 4.45Å; I40-Y86 PolarHBondContact N-O 3.23Å; I40-Y86 PolarHBondContact O-N 2.81Å
41M93.4Very high88.2Confident0 Ų043.8 Ų43.80%023%0.234CC..  trans-116.5163.7-175.7-71.8-160.273.200111.6F13 Y17 I39 A45 F60 V75 E77 F78 V79 A80 I85 V105F13-M41 HydrophobicContact CE1-CE 4.35Å; Y17-M41 HydrophobicContact CD2-CE 3.88Å; Y17-M41 HydrophobicContact CE2-CE 3.33Å; I39-M41 HydrophobicContact CD1-CG 3.77Å; I39-M41 HydrophobicContact CD1-SD 3.97Å; I39-M41 HydrophobicContact CG1-CG 4.14Å; M41-A45 HydrophobicContact CB-CB 4.39Å; M41-A45 HydrophobicContact CE-CB 3.74Å; M41-F60 HydrophobicContact SD-CD2 4.02Å; M41-F60 HydrophobicContact SD-CE1 4.31Å; M41-F60 HydrophobicContact SD-CE2 3.82Å; M41-F60 HydrophobicContact SD-CG 4.39Å; M41-F60 HydrophobicContact SD-CZ 3.97Å; M41-V75 HydrophobicContact CB-CG2 4.27Å; M41-V75 HydrophobicContact CG-CG2 4.22Å; M41-E77 PolarHBondContact N-O 3.25Å; M41-F78 HydrophobicContact CB-CD1 3.64Å; M41-F78 HydrophobicContact CB-CE1 3.82Å; M41-F78 CarbonylContact O-C 3.13Å; M41-F78 WeakPolarHBondContact O-CA 3.36Å; M41-F78 HydrophobicContact SD-CE1 4.39Å; M41-V79 PolarHBondContact O-N 3.28Å; M41-A80 VanDerWaalsContact C-CB 3.48Å; M41-A80 WeakPolarHBondContact O-CB 3.37Å; M41-A80 PolarHBondContact O-N 3.34Å; M41-I85 HydrophobicContact CE-CG2 4.14Å; M41-I85 HydrophobicContact CG-CG2 4.01Å; M41-V105 HydrophobicContact CE-CG1 4.07Å
42P94.3Very high88.9Confident0 Ų043.2 Ų43.20%023%0.225CC..  trans-76.7151.3177.228.5-32.4000111.6Y17 S44 A45 A80 R84Y17-P42 HydrophobicContact CD1-CG 4.33Å; Y17-P42 HydrophobicContact CE1-CG 3.59Å; P42-S44 PolarHBondContact O-N 3.49Å; P42-A45 HydrophobicContact CG-CB 4.31Å; P42-A45 VanDerWaalsContact O-CB 3.3Å; P42-A45 WeakPolarHBondContact O-CB 3.29Å; P42-A45 PolarHBondContact O-N 3.2Å; P42-A80 WeakPolarHBondContact CA-O 3.48Å; P42-R84 WeakPolarHBondContact CD-O 3.29Å
43P94.4Very high89.4Confident61 Ų6146.4 Ų46.440%0.39624%0.237SC..Hα-helixtrans-51.8-36.4175.3-23.729.7000113.6A45 L46 D47 F78 A80P43-A45 PolarHBondContact O-N 2.98Å; P43-L46 WeakPolarHBondContact O-CB 3.3Å; P43-L46 PolarHBondContact O-N 2.99Å; P43-D47 PolarHBondContact O-N 3.33Å; P43-F78 WeakPolarHBondContact CG-O 3.39Å; P43-A80 WeakPolarHBondContact CD-O 3.41Å
44S93.9Very high89.6Confident38 Ų3847.6 Ų47.627%0.26624%0.244SC..Hα-helixtrans-57.5-29.9176.4650000114.1P42 D47 V48 E82P42-S44 PolarHBondContact O-N 3.49Å; S44-D47 PolarHBondContact O-N 3.3Å; S44-V48 VanDerWaalsContact O-CG2 3.3Å; S44-V48 WeakPolarHBondContact O-CG2 3.43Å; S44-V48 PolarHBondContact O-N 3.34Å; S44-E82 WeakPolarHBondContact CB-OE1 3.46Å; S44-E82 WeakPolarHBondContact CB-OE2 3.46Å; S44-E82 PolarHBondContact N-OE1 3.04Å; S44-E82 PolarHBondContact OG-OE1 3.1Å; S44-E82 PolarHBondContact OG-OE2 2.99Å
45A92.2Very high89.5Confident0 Ų051.4 Ų51.40%026%0.262CS..Hα-helixtrans-66.6-41.5175.900000110.9F13 Y17 M41 P42 P43 D47 V48 L49 F78F13-A45 HydrophobicContact CZ-CB 4.09Å; Y17-A45 WeakPolarHBondContact OH-CB 3.39Å; M41-A45 HydrophobicContact CB-CB 4.39Å; M41-A45 HydrophobicContact CE-CB 3.74Å; P42-A45 HydrophobicContact CG-CB 4.31Å; P42-A45 VanDerWaalsContact O-CB 3.3Å; P42-A45 WeakPolarHBondContact O-CB 3.29Å; P42-A45 PolarHBondContact O-N 3.2Å; P43-A45 PolarHBondContact O-N 2.98Å; A45-D47 VanDerWaalsContact C-N 3.34Å; A45-D47 PolarHBondContact O-N 2.88Å; A45-V48 PolarHBondContact O-N 3.41Å; A45-L49 WeakPolarHBondContact O-CD1 3.46Å; A45-L49 WeakPolarHBondContact O-CG 3.49Å; A45-L49 PolarHBondContact O-N 3.3Å; A45-F78 HydrophobicContact CB-CD1 4.21Å; A45-F78 HydrophobicContact CB-CE1 4.05Å
46L91.5Very high89.6Confident57 Ų5755.5 Ų55.530%0.29828%0.276SS..Hα-helixtrans-62.5-41.7177.8-177.459.7000111.4P43 V48 L49 T50 M58 F78P43-L46 WeakPolarHBondContact O-CB 3.3Å; P43-L46 PolarHBondContact O-N 2.99Å; L46-V48 VanDerWaalsContact C-N 3.26Å; L46-V48 PolarHBondContact O-N 3.24Å; L46-L49 PolarHBondContact O-N 3.48Å; L46-T50 HydrophobicContact CD1-CG2 4.11Å; L46-T50 HydrophobicContact CG-CG2 4.32Å; L46-T50 WeakPolarHBondContact O-CB 3.32Å; L46-T50 VanDerWaalsContact O-CG2 3.29Å; L46-T50 WeakPolarHBondContact O-CG2 3.42Å; L46-T50 PolarHBondContact O-N 3.49Å; L46-T50 PolarHBondContact O-OG1 3.09Å; L46-M58 HydrophobicContact CD1-CE 4.05Å; L46-M58 HydrophobicContact CD1-SD 4.36Å; L46-F78 HydrophobicContact CB-CB 4.19Å; L46-F78 HydrophobicContact CB-CD1 3.75Å; L46-F78 HydrophobicContact CB-CD2 4.02Å; L46-F78 HydrophobicContact CB-CE1 4.03Å; L46-F78 HydrophobicContact CB-CE2 4.3Å; L46-F78 HydrophobicContact CB-CG 3.73Å; L46-F78 HydrophobicContact CB-CZ 4.28Å; L46-F78 HydrophobicContact CD1-CD2 3.98Å; L46-F78 HydrophobicContact CD1-CE2 3.71Å; L46-F78 HydrophobicContact CD1-CZ 4.05Å; L46-F78 HydrophobicContact CD2-CB 4.34Å; L46-F78 HydrophobicContact CD2-CD2 3.98Å; L46-F78 HydrophobicContact CD2-CG 4.23Å; L46-F78 HydrophobicContact CG-CD2 4.21Å; L46-F78 HydrophobicContact CG-CE2 4.4Å; L46-F78 HydrophobicContact CG-CG 4.39Å
47D90.9Very high89.8Confident91 Ų9158 Ų5849%0.48729%0.292SS..Hα-helixtrans-60.8-35.3176.3-73.3-12.8000112.3P43 S44 A45 T50 R51P43-D47 PolarHBondContact O-N 3.33Å; S44-D47 PolarHBondContact O-N 3.3Å; A45-D47 VanDerWaalsContact C-N 3.34Å; A45-D47 PolarHBondContact O-N 2.88Å; D47-T50 WeakPolarHBondContact CA-OG1 3.45Å; D47-T50 PolarHBondContact O-OG1 2.93Å; D47-R51 WeakPolarHBondContact O-CG 3.49Å; D47-R51 VanDerWaalsContact O-CZ 3.31Å; D47-R51 PolarHBondContact O-N 3.01Å; D47-R51 PolarHBondContact O-NE 2.78Å; D47-R51 PolarHBondContact O-NH1 3.3Å
48V89.9Confident90.1Very high43 Ų4359.1 Ų59.126%0.26130%0.297SS..Hα-helixtrans-74.4-42.3176-1740000110.7F13 S44 A45 L46 T50 R51 L52F13-V48 HydrophobicContact CD2-CB 3.9Å; F13-V48 HydrophobicContact CD2-CG1 3.44Å; F13-V48 VanDerWaalsContact CD2-CG1 3.44Å; F13-V48 HydrophobicContact CE2-CB 3.65Å; F13-V48 HydrophobicContact CE2-CG1 3.65Å; F13-V48 HydrophobicContact CE2-CG2 4.15Å; S44-V48 VanDerWaalsContact O-CG2 3.3Å; S44-V48 WeakPolarHBondContact O-CG2 3.43Å; S44-V48 PolarHBondContact O-N 3.34Å; A45-V48 PolarHBondContact O-N 3.41Å; L46-V48 VanDerWaalsContact C-N 3.26Å; L46-V48 PolarHBondContact O-N 3.24Å; V48-T50 PolarHBondContact O-N 2.91Å; V48-R51 PolarHBondContact O-N 3.19Å; V48-L52 HydrophobicContact CG1-CD1 4.03Å; V48-L52 WeakPolarHBondContact O-CG 3.38Å; V48-L52 PolarHBondContact O-N 3.02Å
49L90.4Very high90.2Very high0 Ų056.3 Ų56.30%029%0.285CS..Hα-helixtrans-65.3-37.7-179.2-68.2163.5000112.6F13 A45 L46 L52 N53 V54 M58 F60 F78 N107F13-L49 HydrophobicContact CB-CD2 3.93Å; F13-L49 HydrophobicContact CD1-CD2 4.06Å; F13-L49 HydrophobicContact CD2-CD2 4.34Å; F13-L49 HydrophobicContact CG-CD2 3.86Å; A45-L49 WeakPolarHBondContact O-CD1 3.46Å; A45-L49 WeakPolarHBondContact O-CG 3.49Å; A45-L49 PolarHBondContact O-N 3.3Å; L46-L49 PolarHBondContact O-N 3.48Å; L49-L52 CarbonylContact O-C 3.55Å; L49-L52 PolarHBondContact O-N 3.33Å; L49-N53 PolarHBondContact O-N 3.25Å; L49-V54 HydrophobicContact CB-CB 4.39Å; L49-V54 HydrophobicContact CB-CG2 4.46Å; L49-V54 HydrophobicContact CD2-CB 4.3Å; L49-V54 HydrophobicContact CD2-CG2 3.9Å; L49-V54 PolarHBondContact O-N 2.95Å; L49-V54 VanDerWaalsContact O-N 3.07Å; L49-M58 HydrophobicContact CD1-SD 4Å; L49-F60 HydrophobicContact CD1-CE1 3.98Å; L49-F60 HydrophobicContact CD1-CZ 3.53Å; L49-F60 HydrophobicContact CD2-CE1 3.93Å; L49-F60 HydrophobicContact CD2-CZ 4.2Å; L49-F78 HydrophobicContact CD1-CE1 3.91Å; L49-F78 HydrophobicContact CD1-CZ 3.82Å; L49-N107 HydrophobicContact CD2-CB 4.44Å
50T88.6Confident90.3Very high77 Ų7756.3 Ų56.347%0.47229%0.285SS..Hα-helixtrans-66-40.2175.351.70000111.7L46 D47 V48 L52 N53L46-T50 HydrophobicContact CD1-CG2 4.11Å; L46-T50 HydrophobicContact CG-CG2 4.32Å; L46-T50 WeakPolarHBondContact O-CB 3.32Å; L46-T50 VanDerWaalsContact O-CG2 3.29Å; L46-T50 WeakPolarHBondContact O-CG2 3.42Å; L46-T50 PolarHBondContact O-N 3.49Å; L46-T50 PolarHBondContact O-OG1 3.09Å; D47-T50 WeakPolarHBondContact CA-OG1 3.45Å; D47-T50 PolarHBondContact O-OG1 2.93Å; V48-T50 PolarHBondContact O-N 2.91Å; T50-L52 VanDerWaalsContact C-N 3.27Å; T50-L52 PolarHBondContact O-N 3.38Å; T50-N53 PolarHBondContact O-N 2.87Å; T50-N53 VanDerWaalsContact O-N 3.09Å
51R90.5Very high90.3Very high164 Ų16459.8 Ų59.862%0.61930%0.3SS*.Hα-helixtrans-63.9-30.8172.5-73.2-171.9-60.6-99.85.8113.3D47 V48 N53D47-R51 WeakPolarHBondContact O-CG 3.49Å; D47-R51 VanDerWaalsContact O-CZ 3.31Å; D47-R51 PolarHBondContact O-N 3.01Å; D47-R51 PolarHBondContact O-NE 2.78Å; D47-R51 PolarHBondContact O-NH1 3.3Å; V48-R51 PolarHBondContact O-N 3.19Å; R51-N53 VanDerWaalsContact C-N 3.26Å
52L88.5Confident90.4Very high58 Ų5859.8 Ų59.830%0.30430%0.3SS..THydrogen-bonded Turntrans-84.84.1175.6-67.4171.4000113F13 V48 L49 T50 V54F13-L52 HydrophobicContact CB-CD1 3.67Å; F13-L52 HydrophobicContact CD2-CD1 4.3Å; F13-L52 HydrophobicContact CG-CD1 4.5Å; V48-L52 HydrophobicContact CG1-CD1 4.03Å; V48-L52 WeakPolarHBondContact O-CG 3.38Å; V48-L52 PolarHBondContact O-N 3.02Å; L49-L52 CarbonylContact O-C 3.55Å; L49-L52 PolarHBondContact O-N 3.33Å; T50-L52 VanDerWaalsContact C-N 3.27Å; T50-L52 PolarHBondContact O-N 3.38Å; L52-V54 HydrophobicContact CB-CG2 3.94Å; L52-V54 PolarHBondContact O-N 3.17Å
53N86.9Confident90.4Very high136 Ų13661.3 Ų61.373%0.72731%0.309SS*.THydrogen-bonded Turntrans53.434.9-177.9-65.6102.1000114L49 T50 R51 Q55L49-N53 PolarHBondContact O-N 3.25Å; T50-N53 PolarHBondContact O-N 2.87Å; T50-N53 VanDerWaalsContact O-N 3.09Å; R51-N53 VanDerWaalsContact C-N 3.26Å; N53-Q55 PolarHBondContact O-N 3Å
54V85.2Confident90.4Very high28 Ų2858.5 Ų58.517%0.1729%0.291CS..  trans-71.7115.4176.7-175.30000109.1L49 L52 M58 N107L49-V54 HydrophobicContact CB-CB 4.39Å; L49-V54 HydrophobicContact CB-CG2 4.46Å; L49-V54 HydrophobicContact CD2-CB 4.3Å; L49-V54 HydrophobicContact CD2-CG2 3.9Å; L49-V54 PolarHBondContact O-N 2.95Å; L49-V54 VanDerWaalsContact O-N 3.07Å; L52-V54 HydrophobicContact CB-CG2 3.94Å; L52-V54 PolarHBondContact O-N 3.17Å; V54-M58 HydrophobicContact CG1-CG 4.12Å; V54-N107 WeakPolarHBondContact CG1-ND2 3.36Å; V54-N107 WeakPolarHBondContact CG2-ND2 3.25Å
55Q83Confident90.2Very high165 Ų16563.8 Ų63.877%0.77131%0.311SS*.PPolyproline II helixtrans-83.8158.2177-64.7-178.4-6.200111.1N53N53-Q55 PolarHBondContact O-N 3Å
56Y83.2Confident90Very high176 Ų17672.2 Ų72.269%0.6935%0.351SS*.SBendtrans-66142.2171.8-173.8-92.7000110.5
57P87.4Confident89.9Confident53 Ų5371.3 Ų71.334%0.34435%0.351SS..SBendcis-78.7133.20.431.3-34.1000113.6L59 I176P57-L59 HydrophobicContact CB-CD2 4.09Å; P57-L59 HydrophobicContact CB-CG 4.34Å; P57-L59 HydrophobicContact CG-CG 4.49Å; P57-L59 PolarHBondContact O-N 2.98Å; P57-I176 HydrophobicContact CB-CD1 3.36Å; P57-I176 HydrophobicContact CG-CD1 3.92Å
58M90.9Very high89.9Confident28 Ų2873.9 Ų73.914%0.13837%0.365CS..  trans-82.7104.4174.7-65.7179.2-17400109.6L46 L49 V54 F60 V75 F78L46-M58 HydrophobicContact CD1-CE 4.05Å; L46-M58 HydrophobicContact CD1-SD 4.36Å; L49-M58 HydrophobicContact CD1-SD 4Å; V54-M58 HydrophobicContact CG1-CG 4.12Å; M58-F60 HydrophobicContact CB-CE2 4.08Å; M58-F60 HydrophobicContact CB-CZ 4.15Å; M58-V75 HydrophobicContact CB-CG1 3.77Å; M58-V75 PolarHBondContact O-N 3.29Å; M58-F78 HydrophobicContact SD-CE2 4.06Å; M58-F78 HydrophobicContact SD-CZ 3.84Å
59L93.4Very high90Very high5 Ų576.4 Ų76.43%0.02637%0.37CS..EExtended strand (participates in β ladder)trans-111.5142.3-178.9-50.1178.5000110.3P57 C73 N107 A108 L110 A143 C144 I176P57-L59 HydrophobicContact CB-CD2 4.09Å; P57-L59 HydrophobicContact CB-CG 4.34Å; P57-L59 HydrophobicContact CG-CG 4.49Å; P57-L59 PolarHBondContact O-N 2.98Å; L59-C73 WeakPolarHBondContact CA-O 3.43Å; L59-N107 PolarHBondContact O-OD1 3.4Å; L59-N107 VanDerWaalsContact O-OD1 3.11Å; L59-A108 WeakPolarHBondContact CB-O 3.3Å; L59-A108 PolarHBondContact O-N 3.29Å; L59-L110 HydrophobicContact CD1-CB 4.1Å; L59-L110 HydrophobicContact CD1-CD1 4.24Å; L59-L110 HydrophobicContact CD1-CG 4.27Å; L59-A143 HydrophobicContact CD2-CB 4.09Å; L59-C144 VanDerWaalsContact CD2-SG 3.6Å; L59-I176 HydrophobicContact CD2-CD1 4.05Å
60F94.2Very high90.1Very high0 Ų079 Ų790%039%0.386CS..EExtended strand (participates in β ladder)trans-125.6135.2-177-58.4-78000111.1F13 M41 L49 M58 H72 C73 V75 V105 V106 N107F13-F60 HydrophobicContact CD1-CD1 4.45Å; F13-F60 HydrophobicContact CD1-CE1 4.07Å; F13-F60 HydrophobicContact CE1-CE1 4.25Å; M41-F60 HydrophobicContact SD-CD2 4.02Å; M41-F60 HydrophobicContact SD-CE1 4.31Å; M41-F60 HydrophobicContact SD-CE2 3.82Å; M41-F60 HydrophobicContact SD-CG 4.39Å; M41-F60 HydrophobicContact SD-CZ 3.97Å; L49-F60 HydrophobicContact CD1-CE1 3.98Å; L49-F60 HydrophobicContact CD1-CZ 3.53Å; L49-F60 HydrophobicContact CD2-CE1 3.93Å; L49-F60 HydrophobicContact CD2-CZ 4.2Å; M58-F60 HydrophobicContact CB-CE2 4.08Å; M58-F60 HydrophobicContact CB-CZ 4.15Å; F60-H72 CarbonylContact O-C 3.58Å; F60-H72 WeakPolarHBondContact O-CA 3.4Å; F60-C73 PolarHBondContact N-O 2.89Å; F60-C73 PolarHBondContact O-N 3.22Å; F60-V75 HydrophobicContact CD2-CB 4.38Å; F60-V75 HydrophobicContact CE2-CB 3.79Å; F60-V75 HydrophobicContact CE2-CG1 3.84Å; F60-V105 HydrophobicContact CB-CG1 3.84Å; F60-V105 HydrophobicContact CD1-CG1 3.73Å; F60-V105 HydrophobicContact CG-CG1 3.93Å; F60-V106 CarbonylContact C-O 3.55Å; F60-V106 WeakPolarHBondContact CA-O 3.48Å; F60-N107 HydrophobicContact CD1-CB 4.46Å; F60-N107 HydrophobicContact CE1-CB 4.37Å
61K94.2Very high90.4Very high76 Ų7675.4 Ų75.433%0.3336%0.364SS..EExtended strand (participates in β ladder)trans-88116.2164.4-179.5177.8178.61770108.6V106 A108K61-V106 HydrophobicContact CB-CB 4.46Å; K61-V106 PolarHBondContact N-O 2.9Å; K61-V106 PolarHBondContact O-N 2.87Å; K61-A108 HydrophobicContact CB-CB 4.14Å
62L94.7Very high90.6Very high0 Ų068.4 Ų68.40%034%0.338CS..EExtended strand (participates in β ladder)trans-92.5124.4171.1-60-174.6000108.5I39 T70 T71 I85 V87 M91 L95 V103 S104 V105I39-L62 HydrophobicContact CD1-CD2 4.47Å; L62-T70 CarbonylContact O-C 3.52Å; L62-T70 VanDerWaalsContact O-CA 3.24Å; L62-T70 WeakPolarHBondContact O-CA 3.26Å; L62-T71 HydrophobicContact CB-CG2 3.84Å; L62-T71 HydrophobicContact CD1-CG2 4.18Å; L62-T71 HydrophobicContact CG-CG2 4.42Å; L62-T71 PolarHBondContact N-O 3.07Å; L62-T71 PolarHBondContact O-N 3.38Å; L62-I85 HydrophobicContact CD2-CD1 4.22Å; L62-V87 HydrophobicContact CD1-CG1 4.36Å; L62-M91 HydrophobicContact CD1-CG 4.46Å; L62-M91 HydrophobicContact CD1-SD 3.57Å; L62-M91 VanDerWaalsContact CD1-SD 3.57Å; L62-L95 HydrophobicContact CB-CD1 3.99Å; L62-L95 HydrophobicContact CD1-CD1 4.15Å; L62-V103 HydrophobicContact CB-CG1 3.79Å; L62-V103 HydrophobicContact CD2-CG1 4.02Å; L62-V103 HydrophobicContact CG-CG1 4.41Å; L62-S104 WeakPolarHBondContact CA-O 3.4Å; L62-V105 HydrophobicContact CD2-CB 4.15Å; L62-V105 HydrophobicContact CD2-CG1 3.96Å; L62-V105 HydrophobicContact CD2-CG2 3.52Å
63T94.3Very high90.9Very high32 Ų3265.7 Ų65.720%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-122.4119.6178.3-55.60000110T70 S104T63-T70 HydrophobicContact CG2-CG2 3.79Å; T63-S104 PolarHBondContact N-O 2.64Å; T63-S104 PolarHBondContact O-N 2.82Å
64N94Very high91.2Very high1 Ų159.3 Ų59.31%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-87.8112.8166.3-177.62.9000109.1Q66 A67 N68 R69 L95 H96 L97N64-Q66 VanDerWaalsContact C-N 3.29Å; N64-Q66 PolarHBondContact O-N 3.49Å; N64-Q66 WeakPolarHBondContact OD1-CB 3.14Å; N64-Q66 PolarHBondContact OD1-N 2.89Å; N64-A67 WeakPolarHBondContact ND2-CB 3.46Å; N64-N68 WeakPolarHBondContact O-CA 3.36Å; N64-N68 PolarHBondContact O-N 3.07Å; N64-N68 VanDerWaalsContact O-N 3.1Å; N64-R69 PolarHBondContact N-O 2.85Å; N64-R69 PolarHBondContact O-N 3.4Å; N64-L95 HydrophobicContact CB-CB 4.46Å; N64-L95 HydrophobicContact CB-CD2 4.22Å; N64-L95 PolarHBondContact ND2-O 3.5Å; N64-H96 PolarHBondContact ND2-O 3.35Å; N64-L97 HydrophobicContact CB-CD1 4.49Å; N64-L97 HydrophobicContact CB-CD2 4.09Å; N64-L97 HydrophobicContact CB-CG 4.24Å; N64-L97 VanDerWaalsContact CG-CD2 3.46Å; N64-L97 WeakPolarHBondContact ND2-CD2 3.36Å
65Q89.5Confident91.5Very high150 Ų15059 Ų5970%0.70129%0.288SS*.THydrogen-bonded Turntrans-69.4-25.4179.4-66.1-178.1-16.400113
66Q89.3Confident91.8Very high177 Ų17754.2 Ų54.283%0.82727%0.267SS*.THydrogen-bonded Turntrans-78.3-42.7-177.4-63180-14.800111.8N64N64-Q66 VanDerWaalsContact C-N 3.29Å; N64-Q66 PolarHBondContact O-N 3.49Å; N64-Q66 WeakPolarHBondContact OD1-CB 3.14Å; N64-Q66 PolarHBondContact OD1-N 2.89Å
67A89.1Confident92.2Very high37 Ų3749.2 Ų49.231%0.30625%0.25SS..THydrogen-bonded Turntrans-95.1-2.5-178.100000113.9N64 R69 H96N64-A67 WeakPolarHBondContact ND2-CB 3.46Å; A67-R69 HydrophobicContact CB-CB 4.49Å; A67-R69 HydrophobicContact CB-CG 4.18Å; A67-R69 PolarHBondContact O-N 3.24Å; A67-H96 HydrophobicContact CB-CB 3.88Å
68N90.3Very high92.4Very high145 Ų14548.4 Ų48.478%0.77524%0.242SC*.THydrogen-bonded Turntrans50.237.8-171.6-72.9-38.4000113.1N64N64-N68 WeakPolarHBondContact O-CA 3.36Å; N64-N68 PolarHBondContact O-N 3.07Å; N64-N68 VanDerWaalsContact O-N 3.1Å
69R92.4Very high92.5Very high97 Ų9750.9 Ų50.937%0.36626%0.258SS..EExtended strand (participates in β ladder)trans-108.5141.3177.9-68.7-161.4172.3-150.10.1111N64 A67 N94 L95 H96N64-R69 PolarHBondContact N-O 2.85Å; N64-R69 PolarHBondContact O-N 3.4Å; A67-R69 HydrophobicContact CB-CB 4.49Å; A67-R69 HydrophobicContact CB-CG 4.18Å; A67-R69 PolarHBondContact O-N 3.24Å; R69-N94 WeakPolarHBondContact CD-O 3.17Å; R69-N94 PolarHBondContact NH1-O 3.22Å; R69-L95 HydrophobicContact CB-CD2 4.28Å; R69-H96 PolarHBondContact NE-NE2 2.79Å; R69-H96 PolarHBondContact NH1-NE2 2.95Å; R69-H96 PolarHBondContact NH2-NE2 3.46Å; R69-H96 VanDerWaalsContact NH2-NE2 3.19Å
70T93.4Very high92.4Very high54 Ų5450.9 Ų50.933%0.33126%0.259SS..EExtended strand (participates in β ladder)trans-130.4134.1178.960.20000109.7L62 T63L62-T70 CarbonylContact O-C 3.52Å; L62-T70 VanDerWaalsContact O-CA 3.24Å; L62-T70 WeakPolarHBondContact O-CA 3.26Å; T63-T70 HydrophobicContact CG2-CG2 3.79Å
71T94.5Very high92.3Very high1 Ų154.7 Ų54.71%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-131.8158.7172.1-174.70000109L62 M91 L95 D149L62-T71 HydrophobicContact CB-CG2 3.84Å; L62-T71 HydrophobicContact CD1-CG2 4.18Å; L62-T71 HydrophobicContact CG-CG2 4.42Å; L62-T71 PolarHBondContact N-O 3.07Å; L62-T71 PolarHBondContact O-N 3.38Å; T71-M91 HydrophobicContact CG2-CG 3.84Å; T71-M91 HydrophobicContact CG2-SD 4.27Å; T71-L95 HydrophobicContact CG2-CD1 3.71Å; T71-L95 HydrophobicContact CG2-CD2 3.81Å; T71-L95 HydrophobicContact CG2-CG 3.71Å; T71-D149 WeakPolarHBondContact CB-OD2 3.45Å; T71-D149 PolarHBondContact OG1-OD2 3.21Å
72H94.5Very high92.2Very high18 Ų1856.5 Ų56.58%0.08329%0.289CS..EExtended strand (participates in β ladder)trans-116.4139.8178-5979.5000109.4F60 L110 C144 T146 A172F60-H72 CarbonylContact O-C 3.58Å; F60-H72 WeakPolarHBondContact O-CA 3.4Å; H72-L110 HydrophobicContact CB-CD1 3.9Å; H72-C144 HydrophobicContact CB-CB 3.73Å; H72-C144 WeakPolarHBondContact O-CB 3.45Å; H72-T146 PolarHBondContact N-OG1 3.23Å; H72-T146 VanDerWaalsContact N-OG1 3.14Å; H72-T146 WeakPolarHBondContact ND1-CG2 3.33Å; H72-T146 PolarHBondContact ND1-OG1 3.32Å; H72-A172 WeakPolarHBondContact CE1-CB 3.39Å; H72-A172 WeakPolarHBondContact ND1-CB 3.5Å
73C93.6Very high92.1Very high0 Ų058.2 Ų58.20%031%0.306CS..EExtended strand (participates in β ladder)trans-144.1160.5-177.663.80000110.9I39 L59 F60 M91I39-C73 HydrophobicContact CG2-CB 4.07Å; L59-C73 WeakPolarHBondContact CA-O 3.43Å; F60-C73 PolarHBondContact N-O 2.89Å; F60-C73 PolarHBondContact O-N 3.22Å; C73-M91 HydrophobicContact CB-CE 3.51Å; C73-M91 HydrophobicContact CB-SD 3.99Å
74G93.2Very high92Very high2 Ų261.6 Ų61.62%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-95.9167167.200000110.8G37 K38 I39G37-G74 PolarHBondContact O-N 2.96Å; K38-G74 CarbonylContact C-O 3.55Å; K38-G74 VanDerWaalsContact CA-O 3.27Å; K38-G74 WeakPolarHBondContact CA-O 3.47Å; I39-G74 WeakPolarHBondContact CG1-O 3.2Å; I39-G74 PolarHBondContact N-O 2.97Å
75V91.9Very high92Very high23 Ų2361.5 Ų61.514%0.13932%0.315CS..EExtended strand (participates in β ladder)trans-95.8137.7167.560.20000110.2M41 M58 F60 F78M41-V75 HydrophobicContact CB-CG2 4.27Å; M41-V75 HydrophobicContact CG-CG2 4.22Å; M58-V75 HydrophobicContact CB-CG1 3.77Å; M58-V75 PolarHBondContact O-N 3.29Å; F60-V75 HydrophobicContact CD2-CB 4.38Å; F60-V75 HydrophobicContact CE2-CB 3.79Å; F60-V75 HydrophobicContact CE2-CG1 3.84Å; V75-F78 HydrophobicContact CB-CE2 4.46Å; V75-F78 HydrophobicContact CB-CZ 4.21Å; V75-F78 HydrophobicContact CG1-CE2 3.88Å; V75-F78 HydrophobicContact CG1-CZ 3.78Å; V75-F78 HydrophobicContact CG2-CD1 4.36Å; V75-F78 HydrophobicContact CG2-CD2 4.19Å; V75-F78 HydrophobicContact CG2-CE1 3.99Å; V75-F78 HydrophobicContact CG2-CE2 3.78Å; V75-F78 HydrophobicContact CG2-CG 4.47Å; V75-F78 HydrophobicContact CG2-CZ 3.69Å
76L90.4Very high92.2Very high63 Ų6354.9 Ų54.933%0.3328%0.284SS..EExtended strand (participates in β ladder)trans-87.9-58.9169.8-177.762.4000109.9V33 K38 I39V33-L76 HydrophobicContact CG2-CD2 3.63Å; K38-L76 HydrophobicContact CB-CB 3.74Å; K38-L76 HydrophobicContact CD-CB 4.23Å; K38-L76 HydrophobicContact CD-CD1 3.79Å; I39-L76 PolarHBondContact O-N 3.02Å
77E90.6Very high92.4Very high71 Ų7146.5 Ų46.533%0.33225%0.245SC..EExtended strand (participates in β ladder)trans-146.8157.8-173.3-79.5179.7-165.900111.7I40 M41 V79I40-E77 WeakPolarHBondContact CA-O 3.3Å; M41-E77 PolarHBondContact N-O 3.25Å; E77-V79 HydrophobicContact CB-CG1 4.48Å; E77-V79 HydrophobicContact CB-CG2 4.2Å
78F92.2Very high92.5Very high37 Ų3744.7 Ų44.716%0.16223%0.23CC..SBendtrans-108.663.8179-66.9-87000111.2M41 P43 A45 L46 L49 M58 V75M41-F78 HydrophobicContact CB-CD1 3.64Å; M41-F78 HydrophobicContact CB-CE1 3.82Å; M41-F78 CarbonylContact O-C 3.13Å; M41-F78 WeakPolarHBondContact O-CA 3.36Å; M41-F78 HydrophobicContact SD-CE1 4.39Å; P43-F78 WeakPolarHBondContact CG-O 3.39Å; A45-F78 HydrophobicContact CB-CD1 4.21Å; A45-F78 HydrophobicContact CB-CE1 4.05Å; L46-F78 HydrophobicContact CB-CB 4.19Å; L46-F78 HydrophobicContact CB-CD1 3.75Å; L46-F78 HydrophobicContact CB-CD2 4.02Å; L46-F78 HydrophobicContact CB-CE1 4.03Å; L46-F78 HydrophobicContact CB-CE2 4.3Å; L46-F78 HydrophobicContact CB-CG 3.73Å; L46-F78 HydrophobicContact CB-CZ 4.28Å; L46-F78 HydrophobicContact CD1-CD2 3.98Å; L46-F78 HydrophobicContact CD1-CE2 3.71Å; L46-F78 HydrophobicContact CD1-CZ 4.05Å; L46-F78 HydrophobicContact CD2-CB 4.34Å; L46-F78 HydrophobicContact CD2-CD2 3.98Å; L46-F78 HydrophobicContact CD2-CG 4.23Å; L46-F78 HydrophobicContact CG-CD2 4.21Å; L46-F78 HydrophobicContact CG-CE2 4.4Å; L46-F78 HydrophobicContact CG-CG 4.39Å; L49-F78 HydrophobicContact CD1-CE1 3.91Å; L49-F78 HydrophobicContact CD1-CZ 3.82Å; M58-F78 HydrophobicContact SD-CE2 4.06Å; M58-F78 HydrophobicContact SD-CZ 3.84Å; V75-F78 HydrophobicContact CB-CE2 4.46Å; V75-F78 HydrophobicContact CB-CZ 4.21Å; V75-F78 HydrophobicContact CG1-CE2 3.88Å; V75-F78 HydrophobicContact CG1-CZ 3.78Å; V75-F78 HydrophobicContact CG2-CD1 4.36Å; V75-F78 HydrophobicContact CG2-CD2 4.19Å; V75-F78 HydrophobicContact CG2-CE1 3.99Å; V75-F78 HydrophobicContact CG2-CE2 3.78Å; V75-F78 HydrophobicContact CG2-CG 4.47Å; V75-F78 HydrophobicContact CG2-CZ 3.69Å
79V91.9Very high92.5Very high79 Ų7942.9 Ų42.948%0.47921%0.213SC..  trans-124.37.6-175.8-61.20000113.8I40 M41 E77I40-V79 HydrophobicContact CG2-CG2 3.6Å; M41-V79 PolarHBondContact O-N 3.28Å; E77-V79 HydrophobicContact CB-CG1 4.48Å; E77-V79 HydrophobicContact CB-CG2 4.2Å
80A91.4Very high92.4Very high5 Ų539.2 Ų39.24%0.04120%0.199CC..SBendtrans-72.6157178.900000112.6I40 M41 P42 P43 R84 Y86I40-A80 HydrophobicContact CG2-CB 4.03Å; M41-A80 VanDerWaalsContact C-CB 3.48Å; M41-A80 WeakPolarHBondContact O-CB 3.37Å; M41-A80 PolarHBondContact O-N 3.34Å; P42-A80 WeakPolarHBondContact CA-O 3.48Å; P43-A80 WeakPolarHBondContact CD-O 3.41Å; A80-R84 WeakPolarHBondContact CB-O 3.4Å; A80-Y86 HydrophobicContact CB-CD2 3.64Å; A80-Y86 HydrophobicContact CB-CE2 3.63Å
81D92.6Very high92.4Very high80 Ų8036.6 Ų36.643%0.42818%0.183SC..PPolyproline II helixtrans-58.8145.8168-62.1-29.9000111.4G83 R84 Y86D81-G83 PolarHBondContact O-N 3.28Å; D81-R84 HydrophobicContact CB-CB 4.43Å; D81-R84 HydrophobicContact CB-CG 4.28Å; D81-R84 PolarHBondContact O-N 3.02Å; D81-R84 IonicContact OD2-CZ 3.8Å; D81-R84 IonicContact OD2-NH1 2.84Å; D81-R84 PolarHBondContact OD2-NH1 2.93Å; D81-Y86 PolarHBondContact OD2-OH 3.19Å
82E93.3Very high92.3Very high114 Ų11437 Ų3753%0.53319%0.185SC..THydrogen-bonded Turntrans-55.7132.2177.8-68.3-61.4158.100112.7S44 R84S44-E82 WeakPolarHBondContact CB-OE1 3.46Å; S44-E82 WeakPolarHBondContact CB-OE2 3.46Å; S44-E82 PolarHBondContact N-OE1 3.04Å; S44-E82 PolarHBondContact OG-OE1 3.1Å; S44-E82 PolarHBondContact OG-OE2 2.99Å; E82-R84 VanDerWaalsContact C-N 3.28Å; E82-R84 PolarHBondContact O-N 3.16Å
83G91.4Very high92.1Very high36 Ų3640.9 Ų40.937%0.37120%0.202SC..THydrogen-bonded Turntrans783.2-177.400000115.5R18 D81R18-G83 PolarHBondContact N-O 3.29Å; R18-G83 VanDerWaalsContact N-O 3.15Å; D81-G83 PolarHBondContact O-N 3.28Å
84R93.1Very high92Very high103 Ų10341.4 Ų41.439%0.38921%0.205SC..EExtended strand (participates in β ladder)trans-121.8145.3179-52.2-173.3-176.3163.2-10.4111R18 Y20 P42 A80 D81 E82R18-R84 WeakPolarHBondContact O-CA 3.37Å; Y20-R84 HydrophobicContact CD2-CB 4.12Å; Y20-R84 HydrophobicContact CD2-CG 4.23Å; Y20-R84 HydrophobicContact CE2-CB 4.21Å; Y20-R84 HydrophobicContact CE2-CG 3.84Å; P42-R84 WeakPolarHBondContact CD-O 3.29Å; A80-R84 WeakPolarHBondContact CB-O 3.4Å; D81-R84 HydrophobicContact CB-CB 4.43Å; D81-R84 HydrophobicContact CB-CG 4.28Å; D81-R84 PolarHBondContact O-N 3.02Å; D81-R84 IonicContact OD2-CZ 3.8Å; D81-R84 IonicContact OD2-NH1 2.84Å; D81-R84 PolarHBondContact OD2-NH1 2.93Å; E82-R84 VanDerWaalsContact C-N 3.28Å; E82-R84 PolarHBondContact O-N 3.16Å
85I94Very high92Very high0 Ų041.4 Ų41.40%020%0.204CC..EExtended strand (participates in β ladder)trans-125.6144.8167.159.2166.4000109.3Y17 R18 C19 Y20 I39 I40 M41 L62 V87 V105Y17-I85 HydrophobicContact CD1-CG2 4.22Å; Y17-I85 HydrophobicContact CD2-CG2 3.75Å; Y17-I85 HydrophobicContact CE2-CG2 4.41Å; Y17-I85 HydrophobicContact CG-CG2 3.64Å; R18-I85 PolarHBondContact O-N 3.06Å; C19-I85 WeakPolarHBondContact CA-O 3.42Å; C19-I85 HydrophobicContact CB-CG1 4.45Å; C19-I85 WeakPolarHBondContact SG-CD1 3.13Å; C19-I85 VanDerWaalsContact SG-CG1 3.6Å; Y20-I85 PolarHBondContact N-O 3.33Å; I39-I85 HydrophobicContact CD1-CD1 4.48Å; I40-I85 WeakPolarHBondContact O-CA 3.28Å; M41-I85 HydrophobicContact CE-CG2 4.14Å; M41-I85 HydrophobicContact CG-CG2 4.01Å; L62-I85 HydrophobicContact CD2-CD1 4.22Å; I85-V87 HydrophobicContact CD1-CG1 4.13Å; I85-V87 HydrophobicContact CG1-CG1 4.42Å; I85-V105 HydrophobicContact CD1-CG2 3.93Å
86Y93.4Very high91.9Very high10 Ų1045.7 Ų45.74%0.03922%0.222CC..EExtended strand (participates in β ladder)trans-107125.2177.2-59.5-82.6000110Y20 F24 L25 I39 I40 A80 D81Y20-Y86 VanDerWaalsContact O-CA 3.3Å; Y20-Y86 WeakPolarHBondContact O-CA 3.45Å; F24-Y86 HydrophobicContact CB-CD1 4.48Å; F24-Y86 HydrophobicContact CB-CE1 3.92Å; L25-Y86 HydrophobicContact CD1-CD1 3.99Å; L25-Y86 HydrophobicContact CD1-CD2 3.48Å; L25-Y86 VanDerWaalsContact CD1-CD2 3.48Å; L25-Y86 HydrophobicContact CD1-CE2 4.1Å; L25-Y86 HydrophobicContact CD1-CG 3.4Å; L25-Y86 VanDerWaalsContact CD1-CG 3.4Å; L25-Y86 HydrophobicContact CD2-CD2 3.68Å; L25-Y86 HydrophobicContact CD2-CE1 4.3Å; L25-Y86 HydrophobicContact CD2-CE2 3.39Å; L25-Y86 HydrophobicContact CD2-CG 4.23Å; L25-Y86 HydrophobicContact CG-CD1 3.71Å; L25-Y86 HydrophobicContact CG-CD2 3.55Å; L25-Y86 HydrophobicContact CG-CE1 3.81Å; L25-Y86 HydrophobicContact CG-CE2 3.65Å; L25-Y86 HydrophobicContact CG-CG 3.57Å; I39-Y86 WeakPolarHBondContact CA-O 3.48Å; I39-Y86 WeakPolarHBondContact CB-O 3.41Å; I40-Y86 HydrophobicContact CB-CD2 4.45Å; I40-Y86 PolarHBondContact N-O 3.23Å; I40-Y86 PolarHBondContact O-N 2.81Å; A80-Y86 HydrophobicContact CB-CD2 3.64Å; A80-Y86 HydrophobicContact CB-CE2 3.63Å; D81-Y86 PolarHBondContact OD2-OH 3.19Å
87V92.7Very high91.9Very high1 Ų143.4 Ų43.41%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-122.7147.7-175-57.70000110.8C19 Y20 P21 V22 I39 L62 I85 M91 L92C19-V87 HydrophobicContact CB-CG2 4.33Å; Y20-V87 PolarHBondContact O-N 3.02Å; P21-V87 WeakPolarHBondContact CA-O 3.47Å; V22-V87 WeakPolarHBondContact CG2-O 3.47Å; V22-V87 PolarHBondContact N-O 3.23Å; I39-V87 HydrophobicContact CB-CG1 4.36Å; I39-V87 HydrophobicContact CG2-CB 4.23Å; I39-V87 HydrophobicContact CG2-CG1 3.76Å; L62-V87 HydrophobicContact CD1-CG1 4.36Å; I85-V87 HydrophobicContact CD1-CG1 4.13Å; I85-V87 HydrophobicContact CG1-CG1 4.42Å; V87-M91 HydrophobicContact CB-SD 4.25Å; V87-M91 HydrophobicContact CG1-SD 4.39Å; V87-L92 HydrophobicContact CG2-CB 4.24Å; V87-L92 HydrophobicContact CG2-CD1 4.04Å
88P92Very high91.9Very high0 Ų048 Ų480%023%0.232CC..  trans-55.8147.3171.4-24.934.5000111.9V33 G36 W90 M91 L92V33-P88 HydrophobicContact CG1-CG 4.48Å; V33-P88 WeakPolarHBondContact O-CG 3.41Å; G36-P88 WeakPolarHBondContact O-CG 3.27Å; P88-W90 VanDerWaalsContact C-N 3.29Å; P88-W90 HydrophobicContact CB-CG 4.29Å; P88-W90 VanDerWaalsContact CB-NE1 3.27Å; P88-W90 PolarHBondContact O-N 3.12Å; P88-M91 HydrophobicContact CB-CB 4.46Å; P88-M91 WeakPolarHBondContact O-CB 3.43Å; P88-M91 PolarHBondContact O-N 2.82Å; P88-L92 PolarHBondContact O-N 2.89Å
89Y90.2Very high91.9Very high107 Ų10751.7 Ų51.742%0.4225%0.25SC..Hα-helixtrans-61.2-37.3-175.9-178.4-114.8000113M91 L92 K93Y89-M91 VanDerWaalsContact C-N 3.26Å; Y89-M91 PolarHBondContact O-N 2.95Å; Y89-L92 WeakPolarHBondContact O-CB 3.48Å; Y89-L92 PolarHBondContact O-N 2.94Å; Y89-K93 HydrophobicContact CD1-CD 4.17Å; Y89-K93 HydrophobicContact CE1-CD 3.78Å; Y89-K93 HydrophobicContact CE1-CG 4.26Å; Y89-K93 PolarHBondContact O-N 2.86Å; Y89-K93 WeakPolarHBondContact OH-CE 3.33Å
90W90.9Very high91.8Very high19 Ų1948.9 Ų48.97%0.07224%0.237CC..Hα-helixtrans-62.7-32.3175.667.7-100.3000112.6G36 P88 K93 N94 F142 I151 A152G36-W90 PolarHBondContact O-NE1 3.06Å; G36-W90 VanDerWaalsContact O-NE1 3.16Å; P88-W90 VanDerWaalsContact C-N 3.29Å; P88-W90 HydrophobicContact CB-CG 4.29Å; P88-W90 VanDerWaalsContact CB-NE1 3.27Å; P88-W90 PolarHBondContact O-N 3.12Å; W90-K93 WeakPolarHBondContact O-CB 3.36Å; W90-K93 PolarHBondContact O-N 3.03Å; W90-N94 VanDerWaalsContact CE3-ND2 3.3Å; W90-N94 WeakPolarHBondContact CZ3-ND2 3.21Å; W90-N94 PolarHBondContact O-N 3.49Å; W90-F142 AromaticContact CE2-CE1 3.99Å; W90-F142 HydrophobicContact CH2-CD1 4.32Å; W90-F142 AromaticContact CH2-CE1 4Å; W90-F142 HydrophobicContact CH2-CE1 4Å; W90-F142 HydrophobicContact CZ2-CD1 4.01Å; W90-F142 AromaticContact CZ2-CE1 3.46Å; W90-F142 HydrophobicContact CZ2-CE1 3.46Å; W90-F142 VanDerWaalsContact CZ2-CE1 3.46Å; W90-I151 HydrophobicContact CH2-CG2 4.19Å; W90-I151 HydrophobicContact CZ3-CG2 4.09Å; W90-A152 HydrophobicContact CB-CB 3.68Å; W90-A152 HydrophobicContact CG-CB 3.93Å
91M92.7Very high91.9Very high0 Ų049.5 Ų49.50%024%0.244CC..Hα-helixtrans-73.7-38.5178.1-169.7177.6-70.400111.4I39 L62 T71 C73 V87 P88 Y89 K93 N94 L95I39-M91 HydrophobicContact CG2-CE 4.35Å; I39-M91 HydrophobicContact CG2-SD 3.86Å; L62-M91 HydrophobicContact CD1-CG 4.46Å; L62-M91 HydrophobicContact CD1-SD 3.57Å; L62-M91 VanDerWaalsContact CD1-SD 3.57Å; T71-M91 HydrophobicContact CG2-CG 3.84Å; T71-M91 HydrophobicContact CG2-SD 4.27Å; C73-M91 HydrophobicContact CB-CE 3.51Å; C73-M91 HydrophobicContact CB-SD 3.99Å; V87-M91 HydrophobicContact CB-SD 4.25Å; V87-M91 HydrophobicContact CG1-SD 4.39Å; P88-M91 HydrophobicContact CB-CB 4.46Å; P88-M91 WeakPolarHBondContact O-CB 3.43Å; P88-M91 PolarHBondContact O-N 2.82Å; Y89-M91 VanDerWaalsContact C-N 3.26Å; Y89-M91 PolarHBondContact O-N 2.95Å; M91-K93 VanDerWaalsContact C-N 3.33Å; M91-N94 PolarHBondContact O-N 2.93Å; M91-L95 HydrophobicContact CG-CD1 4.44Å; M91-L95 PolarHBondContact O-N 3.16Å
92L91.8Very high91.9Very high8 Ų851 Ų514%0.04225%0.251CS..Hα-helixtrans-60.2-44.9172.3-164.679.9000110.8C19 V87 P88 Y89 L95 H96 L97 E99C19-L92 HydrophobicContact CB-CD1 4.18Å; V87-L92 HydrophobicContact CG2-CB 4.24Å; V87-L92 HydrophobicContact CG2-CD1 4.04Å; P88-L92 PolarHBondContact O-N 2.89Å; Y89-L92 WeakPolarHBondContact O-CB 3.48Å; Y89-L92 PolarHBondContact O-N 2.94Å; L92-L95 PolarHBondContact O-N 3.26Å; L92-H96 PolarHBondContact O-N 3.16Å; L92-H96 VanDerWaalsContact O-N 3.16Å; L92-L97 HydrophobicContact CD1-CB 3.72Å; L92-L97 HydrophobicContact CG-CB 4.23Å; L92-L97 WeakPolarHBondContact CG-O 3.46Å; L92-L97 PolarHBondContact O-N 2.9Å; L92-E99 HydrophobicContact CD2-CG 4.41Å
93K90.9Very high92Very high101 Ų10145.6 Ų45.644%0.43923%0.226SC..Hα-helixtrans-59-47.4172.4-79.7178.2160.7176.90112.1Y89 W90 M91 L95 H96Y89-K93 HydrophobicContact CD1-CD 4.17Å; Y89-K93 HydrophobicContact CE1-CD 3.78Å; Y89-K93 HydrophobicContact CE1-CG 4.26Å; Y89-K93 PolarHBondContact O-N 2.86Å; Y89-K93 WeakPolarHBondContact OH-CE 3.33Å; W90-K93 WeakPolarHBondContact O-CB 3.36Å; W90-K93 PolarHBondContact O-N 3.03Å; M91-K93 VanDerWaalsContact C-N 3.33Å; K93-L95 VanDerWaalsContact C-N 3.3Å; K93-L95 PolarHBondContact O-N 3.33Å; K93-H96 PolarHBondContact O-CD2 3.11Å; K93-H96 PolarHBondContact O-N 3.37Å; K93-H96 VanDerWaalsContact O-N 3.14Å
94N91.8Very high92.1Very high11 Ų1145 Ų456%0.05922%0.217CC..Hα-helixtrans-60.4-39.6179.7-79.6-14.9000112.8R69 W90 M91 H96 I150R69-N94 WeakPolarHBondContact CD-O 3.17Å; R69-N94 PolarHBondContact NH1-O 3.22Å; W90-N94 VanDerWaalsContact CE3-ND2 3.3Å; W90-N94 WeakPolarHBondContact CZ3-ND2 3.21Å; W90-N94 PolarHBondContact O-N 3.49Å; M91-N94 PolarHBondContact O-N 2.93Å; N94-H96 VanDerWaalsContact C-N 3.3Å; N94-H96 PolarHBondContact O-N 3.4Å; N94-I150 PolarHBondContact ND2-N 2.91Å; N94-I150 PolarHBondContact ND2-O 2.98Å; N94-I150 WeakPolarHBondContact OD1-CB 3.43Å; N94-I150 PolarHBondContact OD1-N 3.48Å; N94-I150 PolarHBondContact OD1-O 3.14Å
95L92Very high92.1Very high1 Ų140.1 Ų40.11%0.00520%0.198CC..Hα-helixtrans-79.8-7.9179.6-75.5171.2000113.8L62 N64 R69 T71 M91 L92 K93 L97L62-L95 HydrophobicContact CB-CD1 3.99Å; L62-L95 HydrophobicContact CD1-CD1 4.15Å; N64-L95 HydrophobicContact CB-CB 4.46Å; N64-L95 HydrophobicContact CB-CD2 4.22Å; N64-L95 PolarHBondContact ND2-O 3.5Å; R69-L95 HydrophobicContact CB-CD2 4.28Å; T71-L95 HydrophobicContact CG2-CD1 3.71Å; T71-L95 HydrophobicContact CG2-CD2 3.81Å; T71-L95 HydrophobicContact CG2-CG 3.71Å; M91-L95 HydrophobicContact CG-CD1 4.44Å; M91-L95 PolarHBondContact O-N 3.16Å; L92-L95 PolarHBondContact O-N 3.26Å; K93-L95 VanDerWaalsContact C-N 3.3Å; K93-L95 PolarHBondContact O-N 3.33Å; L95-L97 VanDerWaalsContact C-N 3.31Å; L95-L97 HydrophobicContact CB-CD1 3.42Å; L95-L97 VanDerWaalsContact CB-CD1 3.42Å; L95-L97 HydrophobicContact CB-CG 3.84Å; L95-L97 HydrophobicContact CD1-CD1 3.62Å; L95-L97 HydrophobicContact CG-CD1 4.13Å; L95-L97 PolarHBondContact O-N 3.02Å
96H91.4Very high92.1Very high113 Ų11341.6 Ų41.652%0.52321%0.207SC..THydrogen-bonded Turntrans54.248.3-174.1-66.6-153.2000111.5N64 A67 R69 L92 K93 N94N64-H96 PolarHBondContact ND2-O 3.35Å; A67-H96 HydrophobicContact CB-CB 3.88Å; R69-H96 PolarHBondContact NE-NE2 2.79Å; R69-H96 PolarHBondContact NH1-NE2 2.95Å; R69-H96 PolarHBondContact NH2-NE2 3.46Å; R69-H96 VanDerWaalsContact NH2-NE2 3.19Å; L92-H96 PolarHBondContact O-N 3.16Å; L92-H96 VanDerWaalsContact O-N 3.16Å; K93-H96 PolarHBondContact O-CD2 3.11Å; K93-H96 PolarHBondContact O-N 3.37Å; K93-H96 VanDerWaalsContact O-N 3.14Å; N94-H96 VanDerWaalsContact C-N 3.3Å; N94-H96 PolarHBondContact O-N 3.4Å
97L90.2Very high92Very high16 Ų1642.9 Ų42.98%0.08421%0.214CC..  trans-106143.3179.2-72.9160.1000110.8N64 L92 L95 V103N64-L97 HydrophobicContact CB-CD1 4.49Å; N64-L97 HydrophobicContact CB-CD2 4.09Å; N64-L97 HydrophobicContact CB-CG 4.24Å; N64-L97 VanDerWaalsContact CG-CD2 3.46Å; N64-L97 WeakPolarHBondContact ND2-CD2 3.36Å; L92-L97 HydrophobicContact CD1-CB 3.72Å; L92-L97 HydrophobicContact CG-CB 4.23Å; L92-L97 WeakPolarHBondContact CG-O 3.46Å; L92-L97 PolarHBondContact O-N 2.9Å; L95-L97 VanDerWaalsContact C-N 3.31Å; L95-L97 HydrophobicContact CB-CD1 3.42Å; L95-L97 VanDerWaalsContact CB-CD1 3.42Å; L95-L97 HydrophobicContact CB-CG 3.84Å; L95-L97 HydrophobicContact CD1-CD1 3.62Å; L95-L97 HydrophobicContact CG-CD1 4.13Å; L95-L97 PolarHBondContact O-N 3.02Å; L97-V103 HydrophobicContact CD1-CG2 3.08Å; L97-V103 HydrophobicContact CD2-CG2 3.83Å; L97-V103 HydrophobicContact CG-CG2 4.09Å
98E90.8Very high91.9Very high168 Ų16843.7 Ų43.779%0.78522%0.222SC*.  trans-82.9161.5164.4-64.4-178.717700110.2G100 G101E98-G100 PolarHBondContact O-N 2.89Å; E98-G101 PolarHBondContact O-N 2.91Å
99E90.8Very high91.8Very high113 Ų11348.5 Ų48.553%0.52826%0.261SS..THydrogen-bonded Turntrans-60.1127.9175.5-54.6-177.9163.700110.2P21 F24 L92 G101P21-E99 HydrophobicContact CG-CG 4.06Å; F24-E99 WeakPolarHBondContact CE2-OE2 3.44Å; F24-E99 WeakPolarHBondContact CZ-OE2 3.48Å; L92-E99 HydrophobicContact CD2-CG 4.41Å; E99-G101 VanDerWaalsContact C-N 3.3Å
100G90.9Very high91.9Very high21 Ų2144.8 Ų44.822%0.21625%0.248CC..THydrogen-bonded Turntrans82.22.3-17400000114.9C19 E98C19-G100 WeakPolarHBondContact O-CA 3.47Å; C19-G100 PolarHBondContact O-N 3.27Å; E98-G100 PolarHBondContact O-N 2.89Å
101G92.4Very high92Very high18 Ų1845.6 Ų45.619%0.18626%0.256CS..  trans-58.7145.8174.400000112.7R18 C19 E98 E99R18-G101 WeakPolarHBondContact CA-O 3.34Å; C19-G101 PolarHBondContact N-O 2.88Å; E98-G101 PolarHBondContact O-N 2.91Å; E99-G101 VanDerWaalsContact C-N 3.3Å
102L93.1Very high92.1Very high110 Ų11049.7 Ų49.758%0.57628%0.281SS*.EExtended strand (participates in β ladder)trans-84131.1178.9-75.7169.3000111.2Y17 R18Y17-L102 WeakPolarHBondContact O-CA 3.39Å; R18-L102 HydrophobicContact CG-CD2 3.84Å
103V94.4Very high92.2Very high1 Ų149.5 Ų49.51%0.00628%0.28CS..EExtended strand (participates in β ladder)trans-126.3138176.5175.20000110.1S16 Y17 C19 L62 L97 V105S16-V103 VanDerWaalsContact CA-O 3.28Å; S16-V103 WeakPolarHBondContact CA-O 3.4Å; Y17-V103 PolarHBondContact N-O 2.54Å; Y17-V103 PolarHBondContact O-N 3.45Å; C19-V103 HydrophobicContact CB-CG2 4.35Å; C19-V103 WeakPolarHBondContact SG-CG2 3.42Å; L62-V103 HydrophobicContact CB-CG1 3.79Å; L62-V103 HydrophobicContact CD2-CG1 4.02Å; L62-V103 HydrophobicContact CG-CG1 4.41Å; L97-V103 HydrophobicContact CD1-CG2 3.08Å; L97-V103 HydrophobicContact CD2-CG2 3.83Å; L97-V103 HydrophobicContact CG-CG2 4.09Å; V103-V105 HydrophobicContact CG1-CG2 4.43Å
104S94Very high92.4Very high25 Ų2547.8 Ų47.818%0.17528%0.281CS..EExtended strand (participates in β ladder)trans-80.9120.1169-174.70000109.4L62 T63L62-S104 WeakPolarHBondContact CA-O 3.4Å; T63-S104 PolarHBondContact N-O 2.64Å; T63-S104 PolarHBondContact O-N 2.82Å
105V94.4Very high92.6Very high0 Ų049.4 Ų49.40%029%0.288CS..EExtended strand (participates in β ladder)trans-105.5116.3178.2-174.10000107.9T14 T15 Y17 M41 F60 L62 I85 V103T14-V105 WeakPolarHBondContact CA-O 3.24Å; T15-V105 PolarHBondContact N-O 2.95Å; T15-V105 PolarHBondContact O-N 2.8Å; Y17-V105 HydrophobicContact CD2-CB 4.1Å; Y17-V105 HydrophobicContact CD2-CG2 3.7Å; M41-V105 HydrophobicContact CE-CG1 4.07Å; F60-V105 HydrophobicContact CB-CG1 3.84Å; F60-V105 HydrophobicContact CD1-CG1 3.73Å; F60-V105 HydrophobicContact CG-CG1 3.93Å; L62-V105 HydrophobicContact CD2-CB 4.15Å; L62-V105 HydrophobicContact CD2-CG1 3.96Å; L62-V105 HydrophobicContact CD2-CG2 3.52Å; I85-V105 HydrophobicContact CD1-CG2 3.93Å; V103-V105 HydrophobicContact CG1-CG2 4.43Å
106V93Very high92.7Very high31 Ų3149.4 Ų49.419%0.18829%0.288CS..EExtended strand (participates in β ladder)trans-119.8130.2-179.5-177.20000109.5P12 F13 T14 F60 K61 A108P12-V106 HydrophobicContact CB-CG1 4.26Å; P12-V106 HydrophobicContact CG-CG1 4.27Å; F13-V106 CarbonylContact O-C 3.52Å; F13-V106 WeakPolarHBondContact O-CA 3.47Å; T14-V106 HydrophobicContact CG2-CG2 3.91Å; F60-V106 CarbonylContact C-O 3.55Å; F60-V106 WeakPolarHBondContact CA-O 3.48Å; K61-V106 HydrophobicContact CB-CB 4.46Å; K61-V106 PolarHBondContact N-O 2.9Å; K61-V106 PolarHBondContact O-N 2.87Å; V106-A108 PolarHBondContact O-N 3.14Å
107N92.4Very high92.9Very high36 Ų3648.2 Ų48.219%0.19328%0.279CS..EExtended strand (participates in β ladder)trans-64.4129.6171.4177.424.3000110.3F13 L49 V54 L59 F60F13-N107 HydrophobicContact CB-CB 3.81Å; F13-N107 PolarHBondContact O-N 2.76Å; L49-N107 HydrophobicContact CD2-CB 4.44Å; V54-N107 WeakPolarHBondContact CG1-ND2 3.36Å; V54-N107 WeakPolarHBondContact CG2-ND2 3.25Å; L59-N107 PolarHBondContact O-OD1 3.4Å; L59-N107 VanDerWaalsContact O-OD1 3.11Å; F60-N107 HydrophobicContact CD1-CB 4.46Å; F60-N107 HydrophobicContact CE1-CB 4.37Å
108A89.7Confident93.1Very high19 Ų1947.5 Ų47.516%0.15728%0.275CS..  trans-129132.4-175.700000111.2L59 K61 V106 L110L59-A108 WeakPolarHBondContact CB-O 3.3Å; L59-A108 PolarHBondContact O-N 3.29Å; K61-A108 HydrophobicContact CB-CB 4.14Å; V106-A108 PolarHBondContact O-N 3.14Å; A108-L110 HydrophobicContact CB-CD2 4.47Å
109A90.2Very high93.2Very high100 Ų10041.5 Ų41.583%0.82625%0.247SC*.  trans-95.5112.9168.800000109.5
110L92.1Very high93.3Very high30 Ų3036.3 Ų36.316%0.15722%0.223CC..  trans-106.6142-178.3-59.3179.9000111L59 H72 A108 C144 A172 T174L59-L110 HydrophobicContact CD1-CB 4.1Å; L59-L110 HydrophobicContact CD1-CD1 4.24Å; L59-L110 HydrophobicContact CD1-CG 4.27Å; H72-L110 HydrophobicContact CB-CD1 3.9Å; A108-L110 HydrophobicContact CB-CD2 4.47Å; L110-C144 HydrophobicContact CD1-CB 4.26Å; L110-A172 HydrophobicContact CD1-CB 4.19Å; L110-A172 HydrophobicContact CD2-CB 3.72Å; L110-T174 WeakPolarHBondContact O-CG2 3.48Å
111P93.6Very high93.3Very high36 Ų3638 Ų3823%0.23423%0.225CC..PPolyproline II helixtrans-72.9154.9172.732.7-34.7000111P169 K170 V173 T174P111-P169 HydrophobicContact CB-CG 3.91Å; P111-P169 HydrophobicContact CG-CG 3.81Å; P111-K170 HydrophobicContact CG-CB 4.18Å; P111-K170 HydrophobicContact CG-CD 3.78Å; P111-K170 HydrophobicContact CG-CG 3.91Å; P111-V173 WeakPolarHBondContact O-CA 3.48Å; P111-T174 PolarHBondContact O-N 2.97Å
112V94.4Very high93.1Very high86 Ų8639.1 Ų39.152%0.52123%0.23SC..BIsolated β-bridgetrans-65.1135.8175.8179.30000110.3P169 T174 C178V112-P169 WeakPolarHBondContact O-CD 3.48Å; V112-T174 WeakPolarHBondContact CA-O 3.39Å; V112-T174 HydrophobicContact CB-CG2 4.38Å; V112-T174 HydrophobicContact CG2-CG2 3.91Å; V112-C178 HydrophobicContact CG1-CB 3.61Å; V112-C178 WeakPolarHBondContact CG1-SG 3.39Å
113A94.6Very high92.7Very high3 Ų337.1 Ų37.13%0.02522%0.222CC..PPolyproline II helixtrans-67.9140.1178.700000111.4K168 V173 T174 I175 C178 M180A113-K168 WeakPolarHBondContact CA-O 3.33Å; A113-V173 HydrophobicContact CB-CB 3.77Å; A113-V173 HydrophobicContact CB-CG1 4.37Å; A113-V173 HydrophobicContact CB-CG2 3.56Å; A113-T174 PolarHBondContact N-O 2.89Å; A113-I175 HydrophobicContact CB-CG2 3.68Å; A113-C178 PolarHBondContact O-SG 2.99Å; A113-M180 HydrophobicContact CB-CB 4.27Å; A113-M180 HydrophobicContact CB-SD 3.82Å
114S94.6Very high92.2Very high66 Ų6640.3 Ų40.346%0.46224%0.239SC..SBendtrans-110.1-29.5169.959.10000112.7K168 S181S114-K168 PolarHBondContact N-O 2.9Å; S114-K168 PolarHBondContact OG-O 2.84Å; S114-S181 PolarHBondContact O-N 3.43Å
115F94.7Very high91.8Very high45 Ų4539.5 Ų39.520%0.19723%0.233CC..EExtended strand (participates in β ladder)trans-147.8138.9-179.5174.8-96.8000109.6R117 T167 K168 S181 D183F115-R117 HydrophobicContact CE1-CB 3.85Å; F115-R117 HydrophobicContact CZ-CB 4.01Å; F115-T167 CarbonylContact O-C 3.59Å; F115-T167 WeakPolarHBondContact O-CA 3.38Å; F115-K168 HydrophobicContact CB-CB 4.15Å; F115-K168 HydrophobicContact CB-CD 4.15Å; F115-K168 HydrophobicContact CB-CG 4.3Å; F115-K168 HydrophobicContact CD1-CD 4.11Å; F115-K168 HydrophobicContact CD1-CG 4.26Å; F115-K168 HydrophobicContact CG-CD 4.44Å; F115-K168 PolarHBondContact O-N 3.18Å; F115-S181 WeakPolarHBondContact CA-O 3.34Å; F115-D183 HydrophobicContact CE2-CB 3.67Å; F115-D183 HydrophobicContact CZ-CB 3.65Å
116A95.1Very high91.2Very high0 Ų044 Ų440%026%0.256CS..EExtended strand (participates in β ladder)trans-139.5132171.800000110.2F118 L145 E166 T167 M180 S181 V182 D183A116-F118 HydrophobicContact CB-CD2 4.37Å; A116-F118 HydrophobicContact CB-CE2 3.49Å; A116-F118 VanDerWaalsContact CB-CE2 3.49Å; A116-F118 HydrophobicContact CB-CZ 3.75Å; A116-L145 HydrophobicContact CB-CD1 4.14Å; A116-E166 WeakPolarHBondContact CA-O 3.43Å; A116-T167 HydrophobicContact CB-CG2 4.22Å; A116-M180 HydrophobicContact CB-SD 3.99Å; A116-S181 PolarHBondContact N-O 3.48Å; A116-V182 WeakPolarHBondContact O-CA 3.43Å; A116-D183 PolarHBondContact O-N 2.9Å
117R94.6Very high90.8Very high89 Ų8948.6 Ų48.634%0.33628%0.28SS..EExtended strand (participates in β ladder)trans-110125176.9-178.2174.3141.4143.2-4.1109.9F115 L165 E166 D183F115-R117 HydrophobicContact CE1-CB 3.85Å; F115-R117 HydrophobicContact CZ-CB 4.01Å; R117-L165 HydrophobicContact CG-CB 4.41Å; R117-L165 HydrophobicContact CG-CD1 4.47Å; R117-L165 PolarHBondContact O-N 3.31Å; R117-E166 HydrophobicContact CB-CB 4.27Å; R117-E166 PolarHBondContact N-O 2.81Å; R117-E166 PolarHBondContact O-N 3.03Å; R117-D183 WeakPolarHBondContact CA-O 3.4Å; R117-D183 HydrophobicContact CB-CB 4.41Å; R117-D183 HydrophobicContact CG-CB 4.3Å
118F94.8Very high90.5Very high0 Ų047.5 Ų47.50%027%0.274CS..EExtended strand (participates in β ladder)trans-113.4145-176.6-60-92.9000111.1A116 L135 L139 L145 I151 L162 K163 V164 V182 D183 F184 A185A116-F118 HydrophobicContact CB-CD2 4.37Å; A116-F118 HydrophobicContact CB-CE2 3.49Å; A116-F118 VanDerWaalsContact CB-CE2 3.49Å; A116-F118 HydrophobicContact CB-CZ 3.75Å; F118-L135 HydrophobicContact CD1-CD2 4.5Å; F118-L135 HydrophobicContact CD2-CD2 3.56Å; F118-L135 HydrophobicContact CE2-CD2 3.62Å; F118-L135 HydrophobicContact CG-CD2 4.01Å; F118-L135 HydrophobicContact CZ-CD2 4.12Å; F118-L139 HydrophobicContact CE2-CD1 4.37Å; F118-L139 HydrophobicContact CZ-CD1 3.97Å; F118-L139 HydrophobicContact CZ-CD2 4.33Å; F118-L145 HydrophobicContact CE1-CD1 4.04Å; F118-L145 HydrophobicContact CE1-CD2 4.23Å; F118-L145 HydrophobicContact CZ-CD1 3.58Å; F118-I151 HydrophobicContact CD1-CD1 4.22Å; F118-I151 HydrophobicContact CE1-CD1 3.83Å; F118-L162 HydrophobicContact CB-CD2 4.17Å; F118-K163 CarbonylContact C-O 3.58Å; F118-K163 WeakPolarHBondContact CA-O 3.23Å; F118-V164 HydrophobicContact CD1-CG2 4.06Å; F118-V164 HydrophobicContact CE1-CG2 3.86Å; F118-V182 HydrophobicContact CD2-CG1 3.97Å; F118-V182 HydrophobicContact CE2-CG1 4.13Å; F118-V182 HydrophobicContact CE2-CG2 4.42Å; F118-D183 PolarHBondContact N-O 3.34Å; F118-F184 HydrophobicContact CB-CD1 4.25Å; F118-F184 HydrophobicContact CB-CE1 4.38Å; F118-F184 CarbonylContact O-C 3.57Å; F118-F184 WeakPolarHBondContact O-CA 3.21Å; F118-A185 PolarHBondContact O-N 3.15Å
119Q93.9Very high90.4Very high43 Ų4352.2 Ų52.220%0.20131%0.306CS..EExtended strand (participates in β ladder)trans-118.2110.1173.2-175.7173.332.500109.8Q121 K163 L165 A185 P186 V188Q119-Q121 PolarHBondContact O-NE2 2.81Å; Q119-K163 HydrophobicContact CB-CB 4.43Å; Q119-K163 PolarHBondContact N-O 2.84Å; Q119-K163 PolarHBondContact O-N 3.39Å; Q119-L165 HydrophobicContact CB-CD1 3.74Å; Q119-L165 HydrophobicContact CB-CD2 4.22Å; Q119-L165 HydrophobicContact CB-CG 3.77Å; Q119-L165 HydrophobicContact CG-CD1 4.5Å; Q119-A185 HydrophobicContact CB-CB 4.1Å; Q119-A185 HydrophobicContact CG-CB 4.27Å; Q119-P186 WeakPolarHBondContact CG-O 3.43Å; Q119-P186 PolarHBondContact NE2-O 3.13Å; Q119-V188 HydrophobicContact CG-CG2 4.23Å
120P93.5Very high90.4Very high3 Ų351.6 Ų51.62%0.01929%0.289CS..EExtended strand (participates in β ladder)trans-62.5139.1173.8-14.928.2000110.7F125 L162 A185 P187 V188P120-F125 HydrophobicContact CB-CB 3.73Å; P120-F125 HydrophobicContact CB-CD1 3.76Å; P120-F125 HydrophobicContact CB-CG 3.8Å; P120-F125 HydrophobicContact CG-CB 4.31Å; P120-F125 HydrophobicContact CG-CD1 3.37Å; P120-F125 HydrophobicContact CG-CE1 3.85Å; P120-F125 HydrophobicContact CG-CG 3.96Å; P120-L162 HydrophobicContact CG-CD2 4.34Å; P120-A185 VanDerWaalsContact CD-O 3.31Å; P120-A185 WeakPolarHBondContact CD-O 3.49Å; P120-P187 HydrophobicContact CB-CB 4.21Å; P120-P187 WeakPolarHBondContact O-CA 3.33Å; P120-P187 WeakPolarHBondContact O-CB 3.5Å; P120-V188 PolarHBondContact O-N 2.93Å
121Q90.7Very high90.3Very high58 Ų5852 Ų5227%0.27129%0.293SS..SBendtrans-87.2-19.6179.3-63.1-57.8-65.800113.1Q119 I150 E161Q119-Q121 PolarHBondContact O-NE2 2.81Å; Q121-I150 HydrophobicContact CG-CG2 4.45Å; Q121-E161 HydrophobicContact CB-CB 4.07Å; Q121-E161 WeakPolarHBondContact CB-O 3.47Å; Q121-E161 HydrophobicContact CG-CB 4.06Å; Q121-E161 PolarHBondContact N-O 2.87Å
122S87.1Confident90.1Very high41 Ų4155.5 Ų55.529%0.28730%0.304SS..SBendtrans-119.9148176.8-179.20000111.5D124 F125S122-D124 PolarHBondContact O-N 3.32Å; S122-D124 PolarHBondContact OG-N 2.99Å; S122-D124 VanDerWaalsContact OG-N 3.16Å; S122-D124 PolarHBondContact OG-OD2 3.19Å; S122-F125 PolarHBondContact O-N 3.28Å
123T84.6Confident89.9Confident68 Ų6853.3 Ų53.342%0.41730%0.296SS..G310 helixtrans-65.5-21.417048.40000112.6F125 L126T123-F125 PolarHBondContact O-N 3.47Å; T123-L126 VanDerWaalsContact O-CB 3.23Å; T123-L126 WeakPolarHBondContact O-CB 3.29Å; T123-L126 WeakPolarHBondContact O-CG 3.46Å; T123-L126 PolarHBondContact O-N 3.22Å
124D85.2Confident89.7Confident68 Ų6853.9 Ų53.936%0.36430%0.299SS..G310 helixtrans-59.5-22178.4-54.3-34.8000112.3S122 L126 D127 Y160S122-D124 PolarHBondContact O-N 3.32Å; S122-D124 PolarHBondContact OG-N 2.99Å; S122-D124 VanDerWaalsContact OG-N 3.16Å; S122-D124 PolarHBondContact OG-OD2 3.19Å; D124-L126 PolarHBondContact O-N 3.3Å; D124-D127 PolarHBondContact O-N 3.22Å; D124-Y160 HydrophobicContact CB-CE1 3.77Å; D124-Y160 WeakPolarHBondContact O-CE1 3.36Å
125F84.2Confident89.5Confident8 Ų850.8 Ų50.84%0.03528%0.277CS..G310 helixtrans-68.3-24.8175.5-170.2-97000112.1P120 S122 T123 D127 I128 P131 I153 Y160 L162 F184P120-F125 HydrophobicContact CB-CB 3.73Å; P120-F125 HydrophobicContact CB-CD1 3.76Å; P120-F125 HydrophobicContact CB-CG 3.8Å; P120-F125 HydrophobicContact CG-CB 4.31Å; P120-F125 HydrophobicContact CG-CD1 3.37Å; P120-F125 HydrophobicContact CG-CE1 3.85Å; P120-F125 HydrophobicContact CG-CG 3.96Å; S122-F125 PolarHBondContact O-N 3.28Å; T123-F125 PolarHBondContact O-N 3.47Å; F125-D127 VanDerWaalsContact C-N 3.27Å; F125-D127 PolarHBondContact O-N 3.1Å; F125-I128 HydrophobicContact CD2-CD1 3.67Å; F125-I128 HydrophobicContact CE2-CD1 3.91Å; F125-I128 HydrophobicContact CG-CD1 4.31Å; F125-I128 WeakPolarHBondContact O-CB 3.45Å; F125-I128 PolarHBondContact O-N 2.84Å; F125-P131 HydrophobicContact CD1-CB 4.28Å; F125-P131 HydrophobicContact CE1-CB 3.42Å; F125-P131 VanDerWaalsContact CE1-CB 3.42Å; F125-P131 HydrophobicContact CZ-CB 3.58Å; F125-I153 HydrophobicContact CE2-CD1 4.11Å; F125-Y160 HydrophobicContact CB-CD1 4.07Å; F125-Y160 HydrophobicContact CB-CE1 4.45Å; F125-Y160 HydrophobicContact CD2-CD1 4.03Å; F125-Y160 HydrophobicContact CD2-CG 4.18Å; F125-L162 HydrophobicContact CD2-CD2 4.42Å; F125-L162 HydrophobicContact CE1-CD2 4.27Å; F125-L162 HydrophobicContact CE2-CD1 4.29Å; F125-L162 HydrophobicContact CE2-CD2 3.9Å; F125-L162 HydrophobicContact CZ-CD2 3.82Å; F125-F184 HydrophobicContact CE1-CD1 4.01Å; F125-F184 AromaticContact CE1-CE1 3.62Å; F125-F184 HydrophobicContact CE1-CE1 3.62Å; F125-F184 HydrophobicContact CE1-CZ 4.03Å; F125-F184 AromaticContact CZ-CE1 3.71Å; F125-F184 HydrophobicContact CZ-CE1 3.71Å; F125-F184 AromaticContact CZ-CZ 3.98Å; F125-F184 HydrophobicContact CZ-CZ 3.98Å
126L82.3Confident89.3Confident93 Ų9354.1 Ų54.149%0.48729%0.293SS..G310 helixtrans-71.9-22.2176.3-59.5175.5000112.4T123 D124 I128 P187 Y190T123-L126 VanDerWaalsContact O-CB 3.23Å; T123-L126 WeakPolarHBondContact O-CB 3.29Å; T123-L126 WeakPolarHBondContact O-CG 3.46Å; T123-L126 PolarHBondContact O-N 3.22Å; D124-L126 PolarHBondContact O-N 3.3Å; L126-I128 PolarHBondContact O-N 3.16Å; L126-P187 HydrophobicContact CD1-CG 3.79Å; L126-P187 HydrophobicContact CD2-CG 4.12Å; L126-P187 HydrophobicContact CG-CG 4Å; L126-Y190 HydrophobicContact CD1-CD2 3.95Å; L126-Y190 HydrophobicContact CD1-CE2 4.12Å
127D84.8Confident89Confident128 Ų12859.2 Ų59.268%0.68432%0.32SS*.G310 helixtrans-74.5-11.6177.9-63.6-27.3000112.5D124 F125 S129D124-D127 PolarHBondContact O-N 3.22Å; F125-D127 VanDerWaalsContact C-N 3.27Å; F125-D127 PolarHBondContact O-N 3.1Å; D127-S129 PolarHBondContact O-N 3.44Å
128I87Confident88.8Confident13 Ų1355.7 Ų55.77%0.06731%0.31CS..  trans-74.1123.1176.5-63.2166.9000108.9F125 L126 N130 V134 Y155 Y160F125-I128 HydrophobicContact CD2-CD1 3.67Å; F125-I128 HydrophobicContact CE2-CD1 3.91Å; F125-I128 HydrophobicContact CG-CD1 4.31Å; F125-I128 WeakPolarHBondContact O-CB 3.45Å; F125-I128 PolarHBondContact O-N 2.84Å; L126-I128 PolarHBondContact O-N 3.16Å; I128-N130 VanDerWaalsContact C-N 3.3Å; I128-N130 PolarHBondContact O-N 3.3Å; I128-V134 HydrophobicContact CG2-CB 4.47Å; I128-V134 HydrophobicContact CG2-CG2 3.73Å; I128-Y155 HydrophobicContact CD1-CD1 4.07Å; I128-Y155 HydrophobicContact CD1-CE1 4.49Å; I128-Y155 HydrophobicContact CG1-CD1 4.21Å; I128-Y155 HydrophobicContact CG1-CE1 4.21Å; I128-Y155 HydrophobicContact CG2-CE1 4.24Å; I128-Y160 HydrophobicContact CD1-CD1 4.49Å; I128-Y160 HydrophobicContact CD1-CD2 4.4Å; I128-Y160 HydrophobicContact CD1-CE1 4.14Å; I128-Y160 HydrophobicContact CD1-CE2 4.04Å
129S87.4Confident88.6Confident119 Ų11956.1 Ų56.183%0.83231%0.312SS*.SBendtrans-61.6-34.8-178.958.20000113.9D127D127-S129 PolarHBondContact O-N 3.44Å
130N90.2Very high88.3Confident87 Ų8763.3 Ų63.347%0.46534%0.338SS..  trans-134.879.6178.6-166.2-7.1000111.8I128 K132 A133 V134I128-N130 VanDerWaalsContact C-N 3.3Å; I128-N130 PolarHBondContact O-N 3.3Å; N130-K132 VanDerWaalsContact C-N 3.27Å; N130-K132 PolarHBondContact O-N 3.01Å; N130-A133 HydrophobicContact CB-CB 4.31Å; N130-A133 WeakPolarHBondContact ND2-CB 2.9Å; N130-A133 PolarHBondContact O-N 3.3Å; N130-A133 PolarHBondContact OD1-N 3.39Å; N130-V134 PolarHBondContact O-N 3.05Å
131P89.6Confident88.1Confident37 Ų3766.3 Ų66.324%0.2435%0.353CS..Hα-helixtrans-65.5-29.9-174.925-33.2000112.9F125 L135 F184F125-P131 HydrophobicContact CD1-CB 4.28Å; F125-P131 HydrophobicContact CE1-CB 3.42Å; F125-P131 VanDerWaalsContact CE1-CB 3.42Å; F125-P131 HydrophobicContact CZ-CB 3.58Å; P131-L135 WeakPolarHBondContact O-CB 3.46Å; P131-L135 PolarHBondContact O-N 3.45Å; P131-F184 HydrophobicContact CB-CE2 4.15Å; P131-F184 HydrophobicContact CB-CZ 4.15Å; P131-F184 HydrophobicContact CG-CE2 4.32Å
132K89.4Confident88.1Confident110 Ų11063.8 Ų63.848%0.47834%0.342SS..Hα-helixtrans-63.5-50.8177.3-73.5-173.4175.9-172.80111.5N130 V134 L135 E136 F184N130-K132 VanDerWaalsContact C-N 3.27Å; N130-K132 PolarHBondContact O-N 3.01Å; K132-V134 VanDerWaalsContact C-N 3.33Å; K132-V134 PolarHBondContact O-N 3.44Å; K132-L135 PolarHBondContact O-N 3.33Å; K132-E136 WeakPolarHBondContact O-CG 3.43Å; K132-E136 PolarHBondContact O-N 2.9Å; K132-F184 HydrophobicContact CG-CD2 4.42Å; K132-F184 HydrophobicContact CG-CE2 3.63Å
133A89.6Confident88.4Confident41 Ų4162 Ų6234%0.33933%0.33SS..Hα-helixtrans-64.2-37.9-179.500000112.5N130 L135 N137N130-A133 HydrophobicContact CB-CB 4.31Å; N130-A133 WeakPolarHBondContact ND2-CB 2.9Å; N130-A133 PolarHBondContact O-N 3.3Å; N130-A133 PolarHBondContact OD1-N 3.39Å; A133-L135 VanDerWaalsContact C-N 3.34Å; A133-N137 WeakPolarHBondContact O-CB 3.45Å; A133-N137 PolarHBondContact O-N 2.83Å
134V90.6Very high88.8Confident15 Ų1559.1 Ų59.19%0.09131%0.312CS..Hα-helixtrans-62.5-44.7175.4173.60000110.6I128 N130 K132 N137 A138 I153 Y155I128-V134 HydrophobicContact CG2-CB 4.47Å; I128-V134 HydrophobicContact CG2-CG2 3.73Å; N130-V134 PolarHBondContact O-N 3.05Å; K132-V134 VanDerWaalsContact C-N 3.33Å; K132-V134 PolarHBondContact O-N 3.44Å; V134-N137 PolarHBondContact O-N 2.87Å; V134-A138 WeakPolarHBondContact O-CB 3.32Å; V134-A138 PolarHBondContact O-N 2.88Å; V134-I153 HydrophobicContact CG1-CD1 4.2Å; V134-Y155 HydrophobicContact CB-CD2 4.43Å; V134-Y155 HydrophobicContact CG1-CD1 4.15Å; V134-Y155 HydrophobicContact CG1-CD2 3.69Å; V134-Y155 HydrophobicContact CG1-CE2 4.28Å; V134-Y155 HydrophobicContact CG1-CG 3.62Å; V134-Y155 HydrophobicContact CG2-CD1 4.22Å; V134-Y155 HydrophobicContact CG2-CD2 3.87Å; V134-Y155 HydrophobicContact CG2-CE1 3.93Å; V134-Y155 HydrophobicContact CG2-CE2 3.58Å; V134-Y155 HydrophobicContact CG2-CG 4.19Å
135L91.1Very high89.3Confident0 Ų056 Ų560%030%0.295CS..Hα-helixtrans-66.8-45.6178.7-167.872.2000111.8F118 P131 K132 A133 N137 A138 L139 I153 L162 V182 F184F118-L135 HydrophobicContact CD1-CD2 4.5Å; F118-L135 HydrophobicContact CD2-CD2 3.56Å; F118-L135 HydrophobicContact CE2-CD2 3.62Å; F118-L135 HydrophobicContact CG-CD2 4.01Å; F118-L135 HydrophobicContact CZ-CD2 4.12Å; P131-L135 WeakPolarHBondContact O-CB 3.46Å; P131-L135 PolarHBondContact O-N 3.45Å; K132-L135 PolarHBondContact O-N 3.33Å; A133-L135 VanDerWaalsContact C-N 3.34Å; L135-N137 VanDerWaalsContact C-N 3.28Å; L135-N137 PolarHBondContact O-N 2.8Å; L135-A138 PolarHBondContact O-N 2.87Å; L135-L139 HydrophobicContact CD1-CD1 4.34Å; L135-L139 HydrophobicContact CD1-CG 4.25Å; L135-L139 HydrophobicContact CD2-CD1 3.94Å; L135-L139 HydrophobicContact CG-CD1 3.66Å; L135-L139 HydrophobicContact CG-CG 3.98Å; L135-L139 WeakPolarHBondContact O-CB 3.41Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 3.18Å; L135-I153 HydrophobicContact CD1-CD1 4.23Å; L135-L162 HydrophobicContact CD1-CD1 4.36Å; L135-L162 HydrophobicContact CD1-CD2 4.15Å; L135-V182 HydrophobicContact CD2-CG1 3.49Å; L135-V182 VanDerWaalsContact CD2-CG1 3.49Å; L135-V182 HydrophobicContact CD2-CG2 4.4Å; L135-F184 HydrophobicContact CB-CZ 4.25Å; L135-F184 HydrophobicContact CD2-CE1 3.92Å; L135-F184 HydrophobicContact CD2-CZ 3.91Å
136E88.8Confident89.8Confident116 Ų11656 Ų5654%0.54230%0.296SS..Hα-helixtrans-57.5-41.5176.9-76.6175.4-170.500112.3K132K132-E136 WeakPolarHBondContact O-CG 3.43Å; K132-E136 PolarHBondContact O-N 2.9Å
137N89.7Confident90.4Very high107 Ų10754 Ų5457%0.57229%0.287SS*.Hα-helixtrans-67.7-43.6176.7-172.859.8000111.8A133 V134 L135 R140A133-N137 WeakPolarHBondContact O-CB 3.45Å; A133-N137 PolarHBondContact O-N 2.83Å; V134-N137 PolarHBondContact O-N 2.87Å; L135-N137 VanDerWaalsContact C-N 3.28Å; L135-N137 PolarHBondContact O-N 2.8Å; N137-R140 PolarHBondContact O-N 3.21Å
138A89.6Confident90.8Very high14 Ų1449.4 Ų49.412%0.11627%0.27CS..Hα-helixtrans-65.5-40.7178.700000112.1V134 L135 R140 D141 F142 I153V134-A138 WeakPolarHBondContact O-CB 3.32Å; V134-A138 PolarHBondContact O-N 2.88Å; L135-A138 PolarHBondContact O-N 2.87Å; A138-R140 PolarHBondContact O-N 3.36Å; A138-R140 VanDerWaalsContact O-N 3.15Å; A138-D141 PolarHBondContact O-N 3.41Å; A138-F142 VanDerWaalsContact O-CD2 3.25Å; A138-F142 WeakPolarHBondContact O-CD2 3.42Å; A138-I153 HydrophobicContact CB-CB 3.93Å; A138-I153 HydrophobicContact CB-CG2 3.71Å
139L91.2Very high91.2Very high9 Ų949.5 Ų49.55%0.04727%0.271CS..Hα-helixtrans-64.5-18.4-177.2-73.8175.2000113.5F118 L135 D141 F142 L145 I151 I175 M180F118-L139 HydrophobicContact CE2-CD1 4.37Å; F118-L139 HydrophobicContact CZ-CD1 3.97Å; F118-L139 HydrophobicContact CZ-CD2 4.33Å; L135-L139 HydrophobicContact CD1-CD1 4.34Å; L135-L139 HydrophobicContact CD1-CG 4.25Å; L135-L139 HydrophobicContact CD2-CD1 3.94Å; L135-L139 HydrophobicContact CG-CD1 3.66Å; L135-L139 HydrophobicContact CG-CG 3.98Å; L135-L139 WeakPolarHBondContact O-CB 3.41Å; L135-L139 WeakPolarHBondContact O-CG 3.45Å; L135-L139 PolarHBondContact O-N 3.18Å; L139-D141 PolarHBondContact O-N 3.43Å; L139-F142 HydrophobicContact CD2-CD2 4.38Å; L139-F142 PolarHBondContact O-N 2.98Å; L139-F142 VanDerWaalsContact O-O 3.09Å; L139-L145 HydrophobicContact CD2-CD1 4.45Å; L139-L145 HydrophobicContact CD2-CD2 4.05Å; L139-I151 HydrophobicContact CD2-CD1 4.03Å; L139-I175 HydrophobicContact CB-CD1 4.21Å; L139-I175 HydrophobicContact CD2-CD1 3.89Å; L139-M180 HydrophobicContact CD1-CE 3.57Å
140R88.4Confident91.4Very high195 Ų19546.1 Ų46.174%0.73624%0.243SC*.THydrogen-bonded Turntrans-61.1-27.1171.8-67.8179.3179.1-174.1-1.1113.3N137 A138 F142N137-R140 PolarHBondContact O-N 3.21Å; A138-R140 PolarHBondContact O-N 3.36Å; A138-R140 VanDerWaalsContact O-N 3.15Å; R140-F142 VanDerWaalsContact C-N 3.32Å
141D88.9Confident91.6Very high66 Ų6642.2 Ų42.235%0.35322%0.222SC..THydrogen-bonded Turntrans-84-9.6177.4-65.8-33.7000112.7G36 G37 A138 L139G36-D141 WeakPolarHBondContact CA-O 3.44Å; G37-D141 PolarHBondContact N-O 3.17Å; A138-D141 PolarHBondContact O-N 3.41Å; L139-D141 PolarHBondContact O-N 3.43Å
142F91.5Very high91.7Very high5 Ų541 Ų412%0.02222%0.216CC..  trans-100.4139.3178-65.8-100.4000110.4K35 W90 A138 L139 R140 I151 I153 I175K35-F142 WeakPolarHBondContact O-CE2 3.43Å; K35-F142 WeakPolarHBondContact O-CZ 3.09Å; W90-F142 AromaticContact CE2-CE1 3.99Å; W90-F142 HydrophobicContact CH2-CD1 4.32Å; W90-F142 AromaticContact CH2-CE1 4Å; W90-F142 HydrophobicContact CH2-CE1 4Å; W90-F142 HydrophobicContact CZ2-CD1 4.01Å; W90-F142 AromaticContact CZ2-CE1 3.46Å; W90-F142 HydrophobicContact CZ2-CE1 3.46Å; W90-F142 VanDerWaalsContact CZ2-CE1 3.46Å; A138-F142 VanDerWaalsContact O-CD2 3.25Å; A138-F142 WeakPolarHBondContact O-CD2 3.42Å; L139-F142 HydrophobicContact CD2-CD2 4.38Å; L139-F142 PolarHBondContact O-N 2.98Å; L139-F142 VanDerWaalsContact O-O 3.09Å; R140-F142 VanDerWaalsContact C-N 3.32Å; F142-I151 HydrophobicContact CD1-CG2 4.3Å; F142-I151 HydrophobicContact CE1-CB 3.92Å; F142-I151 HydrophobicContact CE1-CG2 3.96Å; F142-I151 HydrophobicContact CZ-CB 4.27Å; F142-I153 HydrophobicContact CE2-CG2 4.2Å; F142-I153 HydrophobicContact CZ-CG2 4.36Å; F142-I175 HydrophobicContact CB-CD1 3.66Å; F142-I175 WeakPolarHBondContact O-CG1 3.38Å
143A92.5Very high91.7Very high4 Ų435.9 Ų35.93%0.03319%0.193CC..SBendtrans-95.4-34.8177.800000112.4L59 T174 I175 I176L59-A143 HydrophobicContact CD2-CB 4.09Å; A143-T174 WeakPolarHBondContact O-CA 3.34Å; A143-T174 PolarHBondContact O-OG1 3Å; A143-I175 WeakPolarHBondContact O-CG1 3.34Å; A143-I175 PolarHBondContact O-N 3.29Å; A143-I176 HydrophobicContact CB-CD1 4.06Å; A143-I176 HydrophobicContact CB-CG1 4.13Å
144C93.7Very high91.7Very high7 Ų737.2 Ų37.25%0.04720%0.195CC..EExtended strand (participates in β ladder)trans-134.1154.7-173-57.40000110.6L59 H72 L110 V173L59-C144 VanDerWaalsContact CD2-SG 3.6Å; H72-C144 HydrophobicContact CB-CB 3.73Å; H72-C144 WeakPolarHBondContact O-CB 3.45Å; L110-C144 HydrophobicContact CD1-CB 4.26Å; C144-V173 VanDerWaalsContact CA-O 3.29Å; C144-V173 WeakPolarHBondContact CA-O 3.07Å
145L94.7Very high91.5Very high2 Ų240.1 Ų40.11%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-126.5137.7164.7-63.9174.8000109.1A116 F118 L139 I151 V164 T167 A172 V173 I175 M180A116-L145 HydrophobicContact CB-CD1 4.14Å; F118-L145 HydrophobicContact CE1-CD1 4.04Å; F118-L145 HydrophobicContact CE1-CD2 4.23Å; F118-L145 HydrophobicContact CZ-CD1 3.58Å; L139-L145 HydrophobicContact CD2-CD1 4.45Å; L139-L145 HydrophobicContact CD2-CD2 4.05Å; L145-I151 HydrophobicContact CD2-CD1 4.32Å; L145-I151 HydrophobicContact CD2-CG2 4.38Å; L145-V164 HydrophobicContact CD2-CG2 4.22Å; L145-T167 HydrophobicContact CB-CG2 4.26Å; L145-A172 WeakPolarHBondContact O-CA 3.42Å; L145-V173 HydrophobicContact CB-CG2 4.05Å; L145-V173 PolarHBondContact N-O 2.87Å; L145-V173 PolarHBondContact O-N 3.42Å; L145-I175 HydrophobicContact CD1-CD1 4.12Å; L145-I175 HydrophobicContact CD1-CG2 3.78Å; L145-I175 HydrophobicContact CD2-CD1 4.18Å; L145-I175 HydrophobicContact CG-CD1 3.81Å; L145-I175 HydrophobicContact CG-CG1 4.36Å; L145-I175 HydrophobicContact CG-CG2 4.04Å; L145-M180 HydrophobicContact CD1-CE 4.21Å; L145-M180 HydrophobicContact CD1-SD 4.39Å
146T94.7Very high91.3Very high8 Ų845.6 Ų45.65%0.04923%0.234CC..EExtended strand (participates in β ladder)trans-119.5137.4170.9-340000109.2H72 G148 D149 V164 D171 A172H72-T146 PolarHBondContact N-OG1 3.23Å; H72-T146 VanDerWaalsContact N-OG1 3.14Å; H72-T146 WeakPolarHBondContact ND1-CG2 3.33Å; H72-T146 PolarHBondContact ND1-OG1 3.32Å; T146-G148 PolarHBondContact O-N 3.39Å; T146-D149 WeakPolarHBondContact CB-OD2 3.43Å; T146-D149 WeakPolarHBondContact O-CB 3.41Å; T146-D149 PolarHBondContact O-N 2.88Å; T146-D149 PolarHBondContact OG1-OD2 3.05Å; T146-V164 WeakPolarHBondContact O-CB 3.36Å; T146-D171 CarbonylContact C-O 3.51Å; T146-D171 WeakPolarHBondContact CA-O 3.49Å; T146-A172 HydrophobicContact CG2-CB 4.33Å
147V95.6Very high91.1Very high51 Ų5149.2 Ų49.231%0.30925%0.251SS..THydrogen-bonded Turntrans-58130.2171.2174.50000110.1L165 T167 D171V147-L165 WeakPolarHBondContact CG1-O 3.39Å; V147-T167 HydrophobicContact CG2-CG2 4.25Å; V147-T167 VanDerWaalsContact CG2-OG1 3.3Å; V147-T167 WeakPolarHBondContact CG2-OG1 3.28Å; V147-D171 HydrophobicContact CB-CB 4.27Å; V147-D171 HydrophobicContact CG2-CB 4.14Å; V147-D171 WeakPolarHBondContact CG2-O 3.41Å; V147-D171 PolarHBondContact N-O 3.29Å
148G93.3Very high91Very high32 Ų3251 Ų5133%0.3325%0.25SC..THydrogen-bonded Turntrans92.8-14.5-179.200000114.9T146 V164T146-G148 PolarHBondContact O-N 3.39Å; G148-V164 WeakPolarHBondContact CA-O 3.31Å; G148-V164 PolarHBondContact N-O 3.36Å
149D94Very high90.9Very high15 Ų1555.7 Ų55.78%0.0827%0.271CS..  trans-69.3142.3176.2-76-16.6000110.9T71 T146 K163 V164T71-D149 WeakPolarHBondContact CB-OD2 3.45Å; T71-D149 PolarHBondContact OG1-OD2 3.21Å; T146-D149 WeakPolarHBondContact CB-OD2 3.43Å; T146-D149 WeakPolarHBondContact O-CB 3.41Å; T146-D149 PolarHBondContact O-N 2.88Å; T146-D149 PolarHBondContact OG1-OD2 3.05Å; D149-K163 WeakPolarHBondContact O-CA 3.46Å; D149-V164 PolarHBondContact O-N 3.21Å
150I93.4Very high90.9Very high48 Ų4856.1 Ų56.125%0.24627%0.273CS..EExtended strand (participates in β ladder)trans-101.7105171-56175.1000107.4N94 Q121 E161 L162 K163N94-I150 PolarHBondContact ND2-N 2.91Å; N94-I150 PolarHBondContact ND2-O 2.98Å; N94-I150 WeakPolarHBondContact OD1-CB 3.43Å; N94-I150 PolarHBondContact OD1-N 3.48Å; N94-I150 PolarHBondContact OD1-O 3.14Å; Q121-I150 HydrophobicContact CG-CG2 4.45Å; I150-E161 HydrophobicContact CG2-CB 3.83Å; I150-E161 HydrophobicContact CG2-CG 4.34Å; I150-L162 CarbonylContact C-O 3.5Å; I150-L162 WeakPolarHBondContact CA-O 3.5Å; I150-K163 HydrophobicContact CG1-CB 4.21Å; I150-K163 HydrophobicContact CG1-CG 4.26Å
151I93.3Very high91.1Very high4 Ų450.8 Ų50.82%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-86143.2176.259.9169000109.6W90 F118 L139 F142 L145 I153 E161 L162W90-I151 HydrophobicContact CH2-CG2 4.19Å; W90-I151 HydrophobicContact CZ3-CG2 4.09Å; F118-I151 HydrophobicContact CD1-CD1 4.22Å; F118-I151 HydrophobicContact CE1-CD1 3.83Å; L139-I151 HydrophobicContact CD2-CD1 4.03Å; F142-I151 HydrophobicContact CD1-CG2 4.3Å; F142-I151 HydrophobicContact CE1-CB 3.92Å; F142-I151 HydrophobicContact CE1-CG2 3.96Å; F142-I151 HydrophobicContact CZ-CB 4.27Å; L145-I151 HydrophobicContact CD2-CD1 4.32Å; L145-I151 HydrophobicContact CD2-CG2 4.38Å; I151-I153 HydrophobicContact CD1-CG2 4.49Å; I151-E161 WeakPolarHBondContact O-CA 3.19Å; I151-L162 HydrophobicContact CG1-CB 4.08Å; I151-L162 VanDerWaalsContact CG1-O 3.32Å; I151-L162 WeakPolarHBondContact CG1-O 3.48Å; I151-L162 PolarHBondContact N-O 2.76Å; I151-L162 PolarHBondContact O-N 3.38Å
152A91.3Very high91.2Very high13 Ų1347.7 Ų47.711%0.10724%0.239CC..EExtended strand (participates in β ladder)trans-108.6119.2176.800000109.2W90 I159 Y160W90-A152 HydrophobicContact CB-CB 3.68Å; W90-A152 HydrophobicContact CG-CB 3.93Å; A152-I159 HydrophobicContact CB-CG2 3.84Å; A152-Y160 WeakPolarHBondContact CA-O 3.42Å
153I90.4Very high91.4Very high2 Ų251 Ų511%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-109139.2176.567.8173.6000109.6F125 V134 L135 A138 F142 I151 I159 Y160 L162F125-I153 HydrophobicContact CE2-CD1 4.11Å; V134-I153 HydrophobicContact CG1-CD1 4.2Å; L135-I153 HydrophobicContact CD1-CD1 4.23Å; A138-I153 HydrophobicContact CB-CB 3.93Å; A138-I153 HydrophobicContact CB-CG2 3.71Å; F142-I153 HydrophobicContact CE2-CG2 4.2Å; F142-I153 HydrophobicContact CZ-CG2 4.36Å; I151-I153 HydrophobicContact CD1-CG2 4.49Å; I153-I159 CarbonylContact O-C 3.53Å; I153-I159 WeakPolarHBondContact O-CA 3.46Å; I153-Y160 PolarHBondContact N-O 3.49Å; I153-Y160 PolarHBondContact O-N 3.26Å; I153-L162 HydrophobicContact CB-CD1 4.48Å; I153-L162 HydrophobicContact CD1-CD1 3.42Å; I153-L162 VanDerWaalsContact CD1-CD1 3.42Å; I153-L162 HydrophobicContact CG1-CD1 3.55Å; I153-L162 HydrophobicContact CG2-CD1 4.2Å
154N88.3Confident91.5Very high69 Ų6950.8 Ų50.837%0.36925%0.252SS..EExtended strand (participates in β ladder)trans-101.4118.2176.6-172.6-16.2000109.8K35 R158K35-N154 HydrophobicContact CD-CB 4.29Å; K35-N154 WeakPolarHBondContact CE-ND2 3.44Å; K35-N154 HydrophobicContact CG-CB 3.97Å; N154-R158 WeakPolarHBondContact CA-O 3.36Å
155Y87.3Confident91.6Very high76 Ų7652.9 Ų52.930%0.29826%0.263SS..EExtended strand (participates in β ladder)trans-138.7129.9177.1-178.4-109000110I128 V134 E157 R158 Y160I128-Y155 HydrophobicContact CD1-CD1 4.07Å; I128-Y155 HydrophobicContact CD1-CE1 4.49Å; I128-Y155 HydrophobicContact CG1-CD1 4.21Å; I128-Y155 HydrophobicContact CG1-CE1 4.21Å; I128-Y155 HydrophobicContact CG2-CE1 4.24Å; V134-Y155 HydrophobicContact CB-CD2 4.43Å; V134-Y155 HydrophobicContact CG1-CD1 4.15Å; V134-Y155 HydrophobicContact CG1-CD2 3.69Å; V134-Y155 HydrophobicContact CG1-CE2 4.28Å; V134-Y155 HydrophobicContact CG1-CG 3.62Å; V134-Y155 HydrophobicContact CG2-CD1 4.22Å; V134-Y155 HydrophobicContact CG2-CD2 3.87Å; V134-Y155 HydrophobicContact CG2-CE1 3.93Å; V134-Y155 HydrophobicContact CG2-CE2 3.58Å; V134-Y155 HydrophobicContact CG2-CG 4.19Å; Y155-E157 VanDerWaalsContact C-N 3.3Å; Y155-E157 PolarHBondContact O-N 2.91Å; Y155-R158 PolarHBondContact N-O 3.45Å; Y155-R158 PolarHBondContact O-N 3Å; Y155-R158 VanDerWaalsContact O-O 3.1Å; Y155-Y160 HydrophobicContact CD1-CE2 4.27Å
156N87.2Confident91.6Very high115 Ų11556.8 Ų56.862%0.61528%0.281SS*.THydrogen-bonded Turntrans49.246.4-178.2-64.8-11.2000113.8R158N156-R158 PolarHBondContact O-N 3.41Å; N156-R158 VanDerWaalsContact O-N 3.1Å
157E83.6Confident91.7Very high191 Ų19156.7 Ų56.789%0.89328%0.28SS*.THydrogen-bonded Turntrans63.412.7-179.6-51.1-178.7161.900114.5Y155Y155-E157 VanDerWaalsContact C-N 3.3Å; Y155-E157 PolarHBondContact O-N 2.91Å
158R87.3Confident91.6Very high146 Ų14658.7 Ų58.755%0.55129%0.285SS*.EExtended strand (participates in β ladder)trans-115139.1174.5-64.3-174.1-179.5-167.20.9110.5N154 Y155 N156 Y160N154-R158 WeakPolarHBondContact CA-O 3.36Å; Y155-R158 PolarHBondContact N-O 3.45Å; Y155-R158 PolarHBondContact O-N 3Å; Y155-R158 VanDerWaalsContact O-O 3.1Å; N156-R158 PolarHBondContact O-N 3.41Å; N156-R158 VanDerWaalsContact O-N 3.1Å; R158-Y160 HydrophobicContact CB-CD2 4.4Å; R158-Y160 HydrophobicContact CB-CE2 3.76Å
159I88.4Confident91.7Very high112 Ų11261.3 Ų61.357%0.57430%0.296SS*.EExtended strand (participates in β ladder)trans-93.8117.3175.2-59.1172.6000107.8A152 I153A152-I159 HydrophobicContact CB-CG2 3.84Å; I153-I159 CarbonylContact O-C 3.53Å; I153-I159 WeakPolarHBondContact O-CA 3.46Å
160Y90.4Very high91.7Very high18 Ų1866.5 Ų66.57%0.07132%0.318CS..EExtended strand (participates in β ladder)trans-102.1128.3174.4-64.3-88000109.4D124 F125 I128 A152 I153 Y155 R158D124-Y160 HydrophobicContact CB-CE1 3.77Å; D124-Y160 WeakPolarHBondContact O-CE1 3.36Å; F125-Y160 HydrophobicContact CB-CD1 4.07Å; F125-Y160 HydrophobicContact CB-CE1 4.45Å; F125-Y160 HydrophobicContact CD2-CD1 4.03Å; F125-Y160 HydrophobicContact CD2-CG 4.18Å; I128-Y160 HydrophobicContact CD1-CD1 4.49Å; I128-Y160 HydrophobicContact CD1-CD2 4.4Å; I128-Y160 HydrophobicContact CD1-CE1 4.14Å; I128-Y160 HydrophobicContact CD1-CE2 4.04Å; A152-Y160 WeakPolarHBondContact CA-O 3.42Å; I153-Y160 PolarHBondContact N-O 3.49Å; I153-Y160 PolarHBondContact O-N 3.26Å; Y155-Y160 HydrophobicContact CD1-CE2 4.27Å; R158-Y160 HydrophobicContact CB-CD2 4.4Å; R158-Y160 HydrophobicContact CB-CE2 3.76Å
161E92.3Very high91.7Very high83 Ų8369.9 Ų69.939%0.38834%0.336SS..EExtended strand (participates in β ladder)trans-95.3126.1175.9-67.4-177168.300109.9Q121 I150 I151Q121-E161 HydrophobicContact CB-CB 4.07Å; Q121-E161 WeakPolarHBondContact CB-O 3.47Å; Q121-E161 HydrophobicContact CG-CB 4.06Å; Q121-E161 PolarHBondContact N-O 2.87Å; I150-E161 HydrophobicContact CG2-CB 3.83Å; I150-E161 HydrophobicContact CG2-CG 4.34Å; I151-E161 WeakPolarHBondContact O-CA 3.19Å
162L93.1Very high91.8Very high0 Ų070.2 Ų70.20%034%0.34CS..EExtended strand (participates in β ladder)trans-124.3127.5176.1-62.2101.3000110.1F118 P120 F125 L135 I150 I151 I153 F184F118-L162 HydrophobicContact CB-CD2 4.17Å; P120-L162 HydrophobicContact CG-CD2 4.34Å; F125-L162 HydrophobicContact CD2-CD2 4.42Å; F125-L162 HydrophobicContact CE1-CD2 4.27Å; F125-L162 HydrophobicContact CE2-CD1 4.29Å; F125-L162 HydrophobicContact CE2-CD2 3.9Å; F125-L162 HydrophobicContact CZ-CD2 3.82Å; L135-L162 HydrophobicContact CD1-CD1 4.36Å; L135-L162 HydrophobicContact CD1-CD2 4.15Å; I150-L162 CarbonylContact C-O 3.5Å; I150-L162 WeakPolarHBondContact CA-O 3.5Å; I151-L162 HydrophobicContact CG1-CB 4.08Å; I151-L162 VanDerWaalsContact CG1-O 3.32Å; I151-L162 WeakPolarHBondContact CG1-O 3.48Å; I151-L162 PolarHBondContact N-O 2.76Å; I151-L162 PolarHBondContact O-N 3.38Å; I153-L162 HydrophobicContact CB-CD1 4.48Å; I153-L162 HydrophobicContact CD1-CD1 3.42Å; I153-L162 VanDerWaalsContact CD1-CD1 3.42Å; I153-L162 HydrophobicContact CG1-CD1 3.55Å; I153-L162 HydrophobicContact CG2-CD1 4.2Å; L162-F184 HydrophobicContact CD2-CE1 4.16Å
163K94.6Very high92Very high75 Ų7569.6 Ų69.633%0.32634%0.335SS..EExtended strand (participates in β ladder)trans-88.7129.9174.2-175.8177.6-178.31800110.3F118 Q119 D149 I150 L165F118-K163 CarbonylContact C-O 3.58Å; F118-K163 WeakPolarHBondContact CA-O 3.23Å; Q119-K163 HydrophobicContact CB-CB 4.43Å; Q119-K163 PolarHBondContact N-O 2.84Å; Q119-K163 PolarHBondContact O-N 3.39Å; D149-K163 WeakPolarHBondContact O-CA 3.46Å; I150-K163 HydrophobicContact CG1-CB 4.21Å; I150-K163 HydrophobicContact CG1-CG 4.26Å; K163-L165 HydrophobicContact CD-CD2 4.4Å; K163-L165 PolarHBondContact O-N 2.83Å
164V95.2Very high92.2Very high0 Ų070 Ų700%034%0.337CS..EExtended strand (participates in β ladder)trans-76.3116171.2-174.50000108.4F118 L145 T146 G148 D149 T167F118-V164 HydrophobicContact CD1-CG2 4.06Å; F118-V164 HydrophobicContact CE1-CG2 3.86Å; L145-V164 HydrophobicContact CD2-CG2 4.22Å; T146-V164 WeakPolarHBondContact O-CB 3.36Å; G148-V164 WeakPolarHBondContact CA-O 3.31Å; G148-V164 PolarHBondContact N-O 3.36Å; D149-V164 PolarHBondContact O-N 3.21Å; V164-T167 HydrophobicContact CG1-CG2 3.54Å
165L94.7Very high92.4Very high51 Ų5167.2 Ų67.227%0.26732%0.322SS..EExtended strand (participates in β ladder)trans-90.4-42179.9-73.2-176.8000112.9R117 Q119 V147 K163 A185R117-L165 HydrophobicContact CG-CB 4.41Å; R117-L165 HydrophobicContact CG-CD1 4.47Å; R117-L165 PolarHBondContact O-N 3.31Å; Q119-L165 HydrophobicContact CB-CD1 3.74Å; Q119-L165 HydrophobicContact CB-CD2 4.22Å; Q119-L165 HydrophobicContact CB-CG 3.77Å; Q119-L165 HydrophobicContact CG-CD1 4.5Å; V147-L165 WeakPolarHBondContact CG1-O 3.39Å; K163-L165 HydrophobicContact CD-CD2 4.4Å; K163-L165 PolarHBondContact O-N 2.83Å; L165-A185 HydrophobicContact CD1-CB 3.45Å; L165-A185 VanDerWaalsContact CD1-CB 3.45Å
166E95.6Very high92.6Very high83 Ų8365.6 Ų65.639%0.38832%0.318SS..EExtended strand (participates in β ladder)trans-150.8141.7-176-170.3-175.5165.400109.4A116 R117 K168A116-E166 WeakPolarHBondContact CA-O 3.43Å; R117-E166 HydrophobicContact CB-CB 4.27Å; R117-E166 PolarHBondContact N-O 2.81Å; R117-E166 PolarHBondContact O-N 3.03Å; E166-K168 WeakPolarHBondContact OE1-CE 3.18Å; E166-K168 IonicContact OE1-NZ 3.58Å
167T95.5Very high92.6Very high7 Ų769.7 Ų69.74%0.04333%0.334CS..EExtended strand (participates in β ladder)trans-133.614917154.90000110F115 A116 L145 V147 V164 K170 D171 V173F115-T167 CarbonylContact O-C 3.59Å; F115-T167 WeakPolarHBondContact O-CA 3.38Å; A116-T167 HydrophobicContact CB-CG2 4.22Å; L145-T167 HydrophobicContact CB-CG2 4.26Å; V147-T167 HydrophobicContact CG2-CG2 4.25Å; V147-T167 VanDerWaalsContact CG2-OG1 3.3Å; V147-T167 WeakPolarHBondContact CG2-OG1 3.28Å; V164-T167 HydrophobicContact CG1-CG2 3.54Å; T167-K170 CarbonylContact C-O 3.53Å; T167-K170 PolarHBondContact OG1-O 3.5Å; T167-D171 PolarHBondContact OG1-O 3.06Å; T167-V173 HydrophobicContact CG2-CG2 3.96Å
168K94.3Very high92.7Very high92 Ų9262.1 Ų62.140%0.430%0.301SS..EExtended strand (participates in β ladder)trans-124.5141.1175-63.1-178.4-178.2171.10109.7A113 S114 F115 E166A113-K168 WeakPolarHBondContact CA-O 3.33Å; S114-K168 PolarHBondContact N-O 2.9Å; S114-K168 PolarHBondContact OG-O 2.84Å; F115-K168 HydrophobicContact CB-CB 4.15Å; F115-K168 HydrophobicContact CB-CD 4.15Å; F115-K168 HydrophobicContact CB-CG 4.3Å; F115-K168 HydrophobicContact CD1-CD 4.11Å; F115-K168 HydrophobicContact CD1-CG 4.26Å; F115-K168 HydrophobicContact CG-CD 4.44Å; F115-K168 PolarHBondContact O-N 3.18Å; E166-K168 WeakPolarHBondContact OE1-CE 3.18Å; E166-K168 IonicContact OE1-NZ 3.58Å
169P94.7Very high92.7Very high88 Ų8863.4 Ų63.457%0.57132%0.319SS*.SBendcis-89.4-10.49.334.2-36.8000116.1P111 V112P111-P169 HydrophobicContact CB-CG 3.91Å; P111-P169 HydrophobicContact CG-CG 3.81Å; V112-P169 WeakPolarHBondContact O-CD 3.48Å
170K94.4Very high92.8Very high123 Ų12359.5 Ų59.554%0.53530%0.299SS..SBendtrans-126.1168.4-179.8-68.4-172.5-174.8177.80110.1P111 T167 A172 V173P111-K170 HydrophobicContact CG-CB 4.18Å; P111-K170 HydrophobicContact CG-CD 3.78Å; P111-K170 HydrophobicContact CG-CG 3.91Å; T167-K170 CarbonylContact C-O 3.53Å; T167-K170 PolarHBondContact OG1-O 3.5Å; K170-A172 PolarHBondContact O-N 2.82Å; K170-V173 WeakPolarHBondContact O-CG1 3.3Å
171D94.5Very high92.9Very high119 Ų11962.3 Ų62.364%0.63632%0.321SS*.SBendtrans-64.7-21.1173.7-58.2-21.5000113.2T146 V147 T167T146-D171 CarbonylContact C-O 3.51Å; T146-D171 WeakPolarHBondContact CA-O 3.49Å; V147-D171 HydrophobicContact CB-CB 4.27Å; V147-D171 HydrophobicContact CG2-CB 4.14Å; V147-D171 WeakPolarHBondContact CG2-O 3.41Å; V147-D171 PolarHBondContact N-O 3.29Å; T167-D171 PolarHBondContact OG1-O 3.06Å
172A94.5Very high92.9Very high11 Ų1159.3 Ų59.39%0.09131%0.309CS..EExtended strand (participates in β ladder)trans-126.6126.1174.400000109.4H72 L110 L145 T146 K170H72-A172 WeakPolarHBondContact CE1-CB 3.39Å; H72-A172 WeakPolarHBondContact ND1-CB 3.5Å; L110-A172 HydrophobicContact CD1-CB 4.19Å; L110-A172 HydrophobicContact CD2-CB 3.72Å; L145-A172 WeakPolarHBondContact O-CA 3.42Å; T146-A172 HydrophobicContact CG2-CB 4.33Å; K170-A172 PolarHBondContact O-N 2.82Å
173V95Very high92.9Very high0 Ų062.5 Ų62.50%033%0.326CS..EExtended strand (participates in β ladder)trans-136.6152.7-173.4-66.80000111.1P111 A113 C144 L145 T167 K170 I175P111-V173 WeakPolarHBondContact O-CA 3.48Å; A113-V173 HydrophobicContact CB-CB 3.77Å; A113-V173 HydrophobicContact CB-CG1 4.37Å; A113-V173 HydrophobicContact CB-CG2 3.56Å; C144-V173 VanDerWaalsContact CA-O 3.29Å; C144-V173 WeakPolarHBondContact CA-O 3.07Å; L145-V173 HydrophobicContact CB-CG2 4.05Å; L145-V173 PolarHBondContact N-O 2.87Å; L145-V173 PolarHBondContact O-N 3.42Å; T167-V173 HydrophobicContact CG2-CG2 3.96Å; K170-V173 WeakPolarHBondContact O-CG1 3.3Å; V173-I175 HydrophobicContact CG2-CG2 4.46Å
174T94.2Very high92.7Very high10 Ų1061.2 Ų61.26%0.06132%0.32CS..EExtended strand (participates in β ladder)trans-92.5140.3168.6-177.30000110.2L110 P111 V112 A113 A143L110-T174 WeakPolarHBondContact O-CG2 3.48Å; P111-T174 PolarHBondContact O-N 2.97Å; V112-T174 WeakPolarHBondContact CA-O 3.39Å; V112-T174 HydrophobicContact CB-CG2 4.38Å; V112-T174 HydrophobicContact CG2-CG2 3.91Å; A113-T174 PolarHBondContact N-O 2.89Å; A143-T174 WeakPolarHBondContact O-CA 3.34Å; A143-T174 PolarHBondContact O-OG1 3Å
175I93.3Very high92.5Very high11 Ų1161.5 Ų61.56%0.05632%0.322CS..  trans-122.313.7-177.755162000112.6A113 L139 F142 A143 L145 V173 E177 M180A113-I175 HydrophobicContact CB-CG2 3.68Å; L139-I175 HydrophobicContact CB-CD1 4.21Å; L139-I175 HydrophobicContact CD2-CD1 3.89Å; F142-I175 HydrophobicContact CB-CD1 3.66Å; F142-I175 WeakPolarHBondContact O-CG1 3.38Å; A143-I175 WeakPolarHBondContact O-CG1 3.34Å; A143-I175 PolarHBondContact O-N 3.29Å; L145-I175 HydrophobicContact CD1-CD1 4.12Å; L145-I175 HydrophobicContact CD1-CG2 3.78Å; L145-I175 HydrophobicContact CD2-CD1 4.18Å; L145-I175 HydrophobicContact CG-CD1 3.81Å; L145-I175 HydrophobicContact CG-CG1 4.36Å; L145-I175 HydrophobicContact CG-CG2 4.04Å; V173-I175 HydrophobicContact CG2-CG2 4.46Å; I175-E177 PolarHBondContact O-N 3.26Å; I175-M180 HydrophobicContact CB-CE 3.85Å; I175-M180 HydrophobicContact CD1-CE 4.31Å; I175-M180 HydrophobicContact CG2-CE 3.47Å; I175-M180 VanDerWaalsContact CG2-CE 3.47Å; I175-M180 HydrophobicContact CG2-SD 3.62Å
176I91.2Very high92.2Very high43 Ų4363.1 Ų63.122%0.22134%0.336CS..THydrogen-bonded Turntrans-67.6121.2176.6-58.6170.8000108.8P57 L59 A143 C178P57-I176 HydrophobicContact CB-CD1 3.36Å; P57-I176 HydrophobicContact CG-CD1 3.92Å; L59-I176 HydrophobicContact CD2-CD1 4.05Å; A143-I176 HydrophobicContact CB-CD1 4.06Å; A143-I176 HydrophobicContact CB-CG1 4.13Å; I176-C178 VanDerWaalsContact C-N 3.26Å; I176-C178 PolarHBondContact O-N 2.66Å
177E87.1Confident91.7Very high200 Ų20059.8 Ų59.894%0.93532%0.321SS*.THydrogen-bonded Turntrans50.842.1175-61.6-178.4179.200113.8I175I175-E177 PolarHBondContact O-N 3.26Å
178C85.5Confident90.9Very high32 Ų3263 Ų6322%0.21634%0.341CS..  trans-119.4138.4-176.8174.50000112.7V112 A113 I176 M180V112-C178 HydrophobicContact CG1-CB 3.61Å; V112-C178 WeakPolarHBondContact CG1-SG 3.39Å; A113-C178 PolarHBondContact O-SG 2.99Å; I176-C178 VanDerWaalsContact C-N 3.26Å; I176-C178 PolarHBondContact O-N 2.66Å; C178-M180 PolarHBondContact O-N 2.95Å
179D88.8Confident89.9Confident173 Ų17361.8 Ų61.893%0.92536%0.355SS*.  trans-88.394.1167.1-61.6-34000110
180M90.5Very high88.6Confident30 Ų3063.1 Ų63.115%0.14835%0.349CS..  trans-106.4150.7175.561.7172.4159.800111.9A113 A116 L139 L145 I175 C178A113-M180 HydrophobicContact CB-CB 4.27Å; A113-M180 HydrophobicContact CB-SD 3.82Å; A116-M180 HydrophobicContact CB-SD 3.99Å; L139-M180 HydrophobicContact CD1-CE 3.57Å; L145-M180 HydrophobicContact CD1-CE 4.21Å; L145-M180 HydrophobicContact CD1-SD 4.39Å; I175-M180 HydrophobicContact CB-CE 3.85Å; I175-M180 HydrophobicContact CD1-CE 4.31Å; I175-M180 HydrophobicContact CG2-CE 3.47Å; I175-M180 VanDerWaalsContact CG2-CE 3.47Å; I175-M180 HydrophobicContact CG2-SD 3.62Å; C178-M180 PolarHBondContact O-N 2.95Å
181S92.3Very high87.1Confident77 Ų7765.3 Ų65.354%0.53836%0.361SS..EExtended strand (participates in β ladder)trans-79.3126.3173-67.60000111.2S114 F115 A116S114-S181 PolarHBondContact O-N 3.43Å; F115-S181 WeakPolarHBondContact CA-O 3.34Å; A116-S181 PolarHBondContact N-O 3.48Å
182V92Very high85.6Confident20 Ų2063 Ų6312%0.12135%0.353CS..EExtended strand (participates in β ladder)trans-103.6128.4178.8175.80000110.7A116 F118 L135 F184A116-V182 WeakPolarHBondContact O-CA 3.43Å; F118-V182 HydrophobicContact CD2-CG1 3.97Å; F118-V182 HydrophobicContact CE2-CG1 4.13Å; F118-V182 HydrophobicContact CE2-CG2 4.42Å; L135-V182 HydrophobicContact CD2-CG1 3.49Å; L135-V182 VanDerWaalsContact CD2-CG1 3.49Å; L135-V182 HydrophobicContact CD2-CG2 4.4Å; V182-F184 HydrophobicContact CG1-CE1 4.42Å; V182-F184 HydrophobicContact CG1-CE2 4.12Å; V182-F184 HydrophobicContact CG1-CZ 3.98Å
183D92.8Very high83.7Confident68 Ų6867.8 Ų67.836%0.36438%0.381SS..EExtended strand (participates in β ladder)trans-121.3151.5171.6-172.631.5000111.5F115 A116 R117 F118F115-D183 HydrophobicContact CE2-CB 3.67Å; F115-D183 HydrophobicContact CZ-CB 3.65Å; A116-D183 PolarHBondContact O-N 2.9Å; R117-D183 WeakPolarHBondContact CA-O 3.4Å; R117-D183 HydrophobicContact CB-CB 4.41Å; R117-D183 HydrophobicContact CG-CB 4.3Å; F118-D183 PolarHBondContact N-O 3.34Å
184F91.5Very high81.4Confident48 Ų4873.6 Ų73.621%0.21141%0.412CS..EExtended strand (participates in β ladder)trans-118.7125-179.6-68.3-71.2000111.1F118 F125 P131 K132 L135 L162 V182F118-F184 HydrophobicContact CB-CD1 4.25Å; F118-F184 HydrophobicContact CB-CE1 4.38Å; F118-F184 CarbonylContact O-C 3.57Å; F118-F184 WeakPolarHBondContact O-CA 3.21Å; F125-F184 HydrophobicContact CE1-CD1 4.01Å; F125-F184 AromaticContact CE1-CE1 3.62Å; F125-F184 HydrophobicContact CE1-CE1 3.62Å; F125-F184 HydrophobicContact CE1-CZ 4.03Å; F125-F184 AromaticContact CZ-CE1 3.71Å; F125-F184 HydrophobicContact CZ-CE1 3.71Å; F125-F184 AromaticContact CZ-CZ 3.98Å; F125-F184 HydrophobicContact CZ-CZ 3.98Å; P131-F184 HydrophobicContact CB-CE2 4.15Å; P131-F184 HydrophobicContact CB-CZ 4.15Å; P131-F184 HydrophobicContact CG-CE2 4.32Å; K132-F184 HydrophobicContact CG-CD2 4.42Å; K132-F184 HydrophobicContact CG-CE2 3.63Å; L135-F184 HydrophobicContact CB-CZ 4.25Å; L135-F184 HydrophobicContact CD2-CE1 3.92Å; L135-F184 HydrophobicContact CD2-CZ 3.91Å; L162-F184 HydrophobicContact CD2-CE1 4.16Å; V182-F184 HydrophobicContact CG1-CE1 4.42Å; V182-F184 HydrophobicContact CG1-CE2 4.12Å; V182-F184 HydrophobicContact CG1-CZ 3.98Å
185A90.8Very high79.1Confident5 Ų577.9 Ų77.94%0.04144%0.442CS..PPolyproline II helixtrans-83.3155167.100000110.8F118 Q119 P120 L165F118-A185 PolarHBondContact O-N 3.15Å; Q119-A185 HydrophobicContact CB-CB 4.1Å; Q119-A185 HydrophobicContact CG-CB 4.27Å; P120-A185 VanDerWaalsContact CD-O 3.31Å; P120-A185 WeakPolarHBondContact CD-O 3.49Å; L165-A185 HydrophobicContact CD1-CB 3.45Å; L165-A185 VanDerWaalsContact CD1-CB 3.45Å
186P86.7Confident76.8Confident86 Ų8680.8 Ų80.856%0.55846%0.464SS*.PPolyproline II helixtrans-54.2138.9174.1-25.234.1000111.9Q119Q119-P186 WeakPolarHBondContact CG-O 3.43Å; Q119-P186 PolarHBondContact NE2-O 3.13Å
187P85.4Confident74.5Confident12 Ų1281.4 Ų81.48%0.07847%0.472CS..PPolyproline II helixtrans-63.8152.3-179.116.2-19.4000111.9P120 L126 G189 Y190P120-P187 HydrophobicContact CB-CB 4.21Å; P120-P187 WeakPolarHBondContact O-CA 3.33Å; P120-P187 WeakPolarHBondContact O-CB 3.5Å; L126-P187 HydrophobicContact CD1-CG 3.79Å; L126-P187 HydrophobicContact CD2-CG 4.12Å; L126-P187 HydrophobicContact CG-CG 4Å; P187-G189 PolarHBondContact O-N 3.32Å; P187-Y190 WeakPolarHBondContact O-CB 2.91Å; P187-Y190 PolarHBondContact O-N 3.04Å; P187-Y190 VanDerWaalsContact O-N 3.13Å
188V79.9Confident72.3Confident74 Ų7475.6 Ų75.645%0.44845%0.453SS..THydrogen-bonded Turntrans-62.6128175.6-176.80000108.8Q119 P120 Y190Q119-V188 HydrophobicContact CG-CG2 4.23Å; P120-V188 PolarHBondContact O-N 2.93Å; V188-Y190 VanDerWaalsContact C-N 3.35Å
189G72.6Confident70.3Confident67 Ų6777.7 Ų77.769%0.69147%0.469SS*.THydrogen-bonded Turntrans83.93.3-178.100000115.1P187 Q191P187-G189 PolarHBondContact O-N 3.32Å; G189-Q191 PolarHBondContact O-N 3.23Å
190Y67Low67.9Low117 Ų11779.6 Ų79.646%0.45947%0.468SS..  trans-63.6103166-173.5-101.2000109.2L126 P187 V188 P192L126-Y190 HydrophobicContact CD1-CD2 3.95Å; L126-Y190 HydrophobicContact CD1-CE2 4.12Å; P187-Y190 WeakPolarHBondContact O-CB 2.91Å; P187-Y190 PolarHBondContact O-N 3.04Å; P187-Y190 VanDerWaalsContact O-N 3.13Å; V188-Y190 VanDerWaalsContact C-N 3.35Å; Y190-P192 HydrophobicContact CD1-CB 4.47Å; Y190-P192 HydrophobicContact CD1-CG 4.05Å; Y190-P192 HydrophobicContact CE1-CB 3.85Å; Y190-P192 HydrophobicContact CE1-CG 3.88Å; Y190-P192 WeakPolarHBondContact O-CD 3.37Å
191Q63.7Low65.7Low168 Ų16884.3 Ų84.379%0.78549%0.49SS*.  trans-82.8112159.2-67.4-178.9-2.300105.1G189 T193G189-Q191 PolarHBondContact O-N 3.23Å; Q191-T193 PolarHBondContact O-N 2.98Å
192P62.2Low62.9Low71 Ų7184.8 Ų84.846%0.46149%0.494SS..  trans-53.3118.9162.6-10.424.1000104.6Y190 D194Y190-P192 HydrophobicContact CD1-CB 4.47Å; Y190-P192 HydrophobicContact CD1-CG 4.05Å; Y190-P192 HydrophobicContact CE1-CB 3.85Å; Y190-P192 HydrophobicContact CE1-CG 3.88Å; Y190-P192 WeakPolarHBondContact O-CD 3.37Å; P192-D194 PolarHBondContact O-N 3.16Å
193T54.9Low60.4Low112 Ų11292.3 Ų92.369%0.68753%0.533SS*.  trans-53.1117.1165.449.10000104.9Q191 S195Q191-T193 PolarHBondContact O-N 2.98Å; T193-S195 PolarHBondContact O-N 2.56Å; T193-S195 PolarHBondContact O-OG 2.91Å
194D46.1Very low57.8Low122 Ų12296.9 Ų96.965%0.65255%0.55SS*.SBendtrans-60.483.7179.5-75-44.4000108.9P192 S197P192-D194 PolarHBondContact O-N 3.16Å; D194-S197 WeakPolarHBondContact OD1-CB 3.26Å; D194-S197 PolarHBondContact OD1-OG 3.27Å
195S48Very low55.4Low99 Ų9999.9 Ų99.969%0.69257%0.568SS**SBendtrans-114.516.4158.7460000109.9T193T193-S195 PolarHBondContact O-N 2.56Å; T193-S195 PolarHBondContact O-OG 2.91Å
196S43.5Very low52.9Low72 Ų72107.8 Ų107.850%0.50361%0.609SS.*SBendtrans-151.9-1.1170.862.40000117.6S198 S199S196-S198 VanDerWaalsContact C-N 3.25Å; S196-S199 WeakPolarHBondContact CA-OG 3.22Å; S196-S199 WeakPolarHBondContact CB-OG 3.36Å; S196-S199 PolarHBondContact O-N 3.35Å; S196-S199 PolarHBondContact O-OG 2.65Å
197S42.9Very low50.7Low56 Ų56111.7 Ų111.739%0.39262%0.619SS.*THydrogen-bonded Turntrans-80.8-6.6164.670.80000113.4D194 S199 Q201D194-S197 WeakPolarHBondContact OD1-CB 3.26Å; D194-S197 PolarHBondContact OD1-OG 3.27Å; S197-S199 VanDerWaalsContact C-N 3.27Å; S197-Q201 WeakPolarHBondContact O-CG 3.24Å; S197-Q201 PolarHBondContact O-OE1 3.28Å
198S42.1Very low48.6Very low78 Ų78118.1 Ų118.155%0.54565%0.648SS.*THydrogen-bonded Turntrans-89.227.6153.461.60000113S196S196-S198 VanDerWaalsContact C-N 3.25Å
199S42.8Very low46.6Very low77 Ų77122 Ų12254%0.53867%0.665SS.*SBendtrans-131.739.1172.171.20000113.1S196 S197S196-S199 WeakPolarHBondContact CA-OG 3.22Å; S196-S199 WeakPolarHBondContact CB-OG 3.36Å; S196-S199 PolarHBondContact O-N 3.35Å; S196-S199 PolarHBondContact O-OG 2.65Å; S197-S199 VanDerWaalsContact C-N 3.27Å
200K39.1Very low45.2Very low212 Ų212126.9 Ų126.992%0.92267%0.67SS**SBendtrans-138.521.4133.8-71-166.3-179.4171.60111.3
201Q43.3Very low43.8Very low129 Ų129129.7 Ų129.760%0.60369%0.687SS**SBendtrans-118.9104.5-173.6-67.9177.4-12.500108.1S197S197-Q201 WeakPolarHBondContact O-CG 3.24Å; S197-Q201 PolarHBondContact O-OE1 3.28Å
202S34.3Very low42.7Very low88 Ų88128.2 Ų128.262%0.61568%0.684SS**  trans4191.4170.657.90000117.2K204S202-K204 PolarHBondContact O-N 3.34Å
203D37.9Very low41.9Very low178 Ų178129.9 Ų129.995%0.95269%0.688SS**THydrogen-bonded Turntrans-69.448.8156.6-97.1-24.9000111.1
204K39.1Very low41.4Very low164 Ų164129.6 Ų129.671%0.71368%0.678SS**THydrogen-bonded Turntrans-139.1-14.1179.2-76.1-163.1173.7-176.40117.5S202 Q208S202-K204 PolarHBondContact O-N 3.34Å; K204-Q208 PolarHBondContact O-NE2 3.06Å
205D41Very low41.6Very low111 Ų111130.4 Ų130.459%0.59468%0.68SS**SBendtrans-131.344.2-169.8-76.6-35.6000116.4Q208D205-Q208 PolarHBondContact OD1-NE2 3.27Å
206L38.2Very low41.6Very low170 Ų170131 Ų13189%0.8968%0.682SS**SBendtrans-153.520.9150.7-142.273.8000115.6
207H40.5Very low41.5Very low169 Ų169132.7 Ų132.778%0.78269%0.694SS**SBendtrans-111.713.5165.6-93.5-58000113.3I209H207-I209 VanDerWaalsContact C-N 3.28Å; H207-I209 PolarHBondContact O-N 3.04Å
208Q41.2Very low41.5Very low146 Ų146136 Ų13668%0.68271%0.711SS**  trans-86.323.1178.8-74.4-177.835.600114.9K204 D205K204-Q208 PolarHBondContact O-NE2 3.06Å; D205-Q208 PolarHBondContact OD1-NE2 3.27Å
209I38.2Very low41.5Very low156 Ų156139.2 Ų139.280%0.873%0.728SS**SBendtrans-117.893.8158.3-55.5178.8000107.1H207H207-I209 VanDerWaalsContact C-N 3.28Å; H207-I209 PolarHBondContact O-N 3.04Å
210E42.7Very low41.9Very low170 Ų170144.2 Ų144.279%0.79474%0.742SS**  trans78.662.2160.3-59.4179177.500116.7D212E210-D212 PolarHBondContact O-N 3.31Å
211E37.4Very low42.5Very low176 Ų176137 Ų13782%0.82273%0.728SS**  trans-54.986.4135.8-71.5-174.5157.600110
212D41.9Very low43.6Very low137 Ų137140.2 Ų140.273%0.73374%0.74SS**  trans-160.357.2151.3-116.6-10.6000111.5E210E210-D212 PolarHBondContact O-N 3.31Å
213I44.1Very low44.7Very low106 Ų106143.7 Ų143.754%0.54475%0.747SS.*  trans-131.378.4165.3-50.2172.5000108.4
214K46.3Very low46.3Very low106 Ų106137.6 Ų137.646%0.46172%0.721SS.*  trans-65.7132.4167.1-68.2171.8-178.2170.40109.1L253K214-L253 HydrophobicContact CB-CD1 3.65Å; K214-L253 HydrophobicContact CB-CD2 3.83Å; K214-L253 HydrophobicContact CB-CG 3.94Å; K214-L253 WeakPolarHBondContact O-CD1 3.43Å; K214-L253 WeakPolarHBondContact O-CD2 3.35Å
215I48.3Very low47.4Very low138 Ų138139.6 Ų139.671%0.70873%0.73SS**  trans-107.4120.9170.5-59.7162.1000105S217I215-S217 PolarHBondContact O-N 2.99Å
216P48Very low48.7Very low112 Ų112139 Ų13973%0.72774%0.735SS**  trans-76.3100.1-17228.7-27.2000109.3L253P216-L253 HydrophobicContact CB-CD1 4.28Å; P216-L253 HydrophobicContact CG-CD1 4.2Å
217S41.4Very low50.1Low108 Ų108134.1 Ų134.176%0.75573%0.725SS**  trans-106.363.9176.761.60000110.9I215I215-S217 PolarHBondContact O-N 2.99Å
218V43.9Very low51.8Low125 Ų125131.6 Ų131.676%0.75872%0.722SS**  trans-147.6124.6158.4-174.80000108.1Q220V218-Q220 VanDerWaalsContact C-N 3.29Å; V218-Q220 PolarHBondContact O-N 2.65Å
219V42.3Very low53.1Low146 Ų146128.5 Ų128.589%0.88573%0.729SS**  trans-64.189.1167.5-172.90000107.5
220Q49.9Very low54.7Low181 Ų181131 Ų13185%0.84673%0.73SS**  trans-71.4123.8162.3-90.8175.4-27.200107.2V218V218-Q220 VanDerWaalsContact C-N 3.29Å; V218-Q220 PolarHBondContact O-N 2.65Å
221G52.2Low56.1Low61 Ų61130.6 Ų130.663%0.62972%0.721SS**  trans-48146.1-17100000113.8Q223G221-Q223 PolarHBondContact O-N 2.99Å
222F67.2Low57.6Low196 Ų196131 Ų13186%0.8673%0.728SS**  trans-48.5111.2175.6175.6-102.8000111.5A224F222-A224 HydrophobicContact CD1-CB 4.39Å; F222-A224 HydrophobicContact CE1-CB 3.57Å; F222-A224 HydrophobicContact CZ-CB 3.77Å
223Q57.3Low59Low161 Ų161130.6 Ų130.675%0.75273%0.726SS**  trans-100.9101167.5-81.6178.7-27.400108.8G221G221-Q223 PolarHBondContact O-N 2.99Å
224A70.3Confident59.8Low50 Ų50128.9 Ų128.941%0.41374%0.735SS.*THydrogen-bonded Turntrans-75137.816800000110.2F222F222-A224 HydrophobicContact CD1-CB 4.39Å; F222-A224 HydrophobicContact CE1-CB 3.57Å; F222-A224 HydrophobicContact CZ-CB 3.77Å
225F63.8Low61.1Low206 Ų206132 Ų13290%0.90475%0.748SS**THydrogen-bonded Turntrans65.941172.3-46.1-76.6000116.2G227F225-G227 PolarHBondContact O-N 3.46Å
226S68Low61.6Low100 Ų100133.2 Ų133.270%0.69976%0.756SS**  trans-75.710.8170.656.80000114.6
227G68.1Low61.9Low66 Ų66135.8 Ų135.868%0.6876%0.756SS**PPolyproline II helixtrans-78134.5178.600000112.2F225F225-G227 PolarHBondContact O-N 3.46Å
228T74.4Confident62.4Low117 Ų117139.5 Ų139.572%0.71876%0.761SS**PPolyproline II helixtrans-70.8127.5167.848.70000109.9
229G69.6Low62.6Low80 Ų80141 Ų14183%0.82577%0.765SS**PPolyproline II helixtrans-80.3118.8176.700000111.6
230Y71.5Confident62.7Low209 Ų209143.1 Ų143.182%0.8276%0.762SS**PPolyproline II helixtrans-87.5130.9172.5-82.7-93.9000111.1
231R72.1Confident62.3Low161 Ų161140.9 Ų140.961%0.60876%0.761SS**PPolyproline II helixtrans-80.4128.4170.4-62.6-179.394.8113.4-1.6109.2D233R231-D233 PolarHBondContact O-N 2.95Å
232L68.6Low61.7Low185 Ų185145.3 Ų145.397%0.96977%0.77SS**THydrogen-bonded Turntrans-69-9.4174.7-69.4164.9000113.3G234L232-G234 VanDerWaalsContact C-N 3.27Å; L232-G234 PolarHBondContact O-N 3.18Å
233D71.1Confident60.6Low128 Ų128145.5 Ų145.568%0.68477%0.774SS**THydrogen-bonded Turntrans-80.64.8178.6-66.3-35.7000114.5R231 K235R231-D233 PolarHBondContact O-N 2.95Å; D233-K235 PolarHBondContact O-N 3.4Å; D233-K235 VanDerWaalsContact O-N 3.07Å
234G61.5Low59.6Low71 Ų71142.3 Ų142.373%0.73278%0.775SS**  trans65.713.6173.100000116L232L232-G234 VanDerWaalsContact C-N 3.27Å; L232-G234 PolarHBondContact O-N 3.18Å
235K72.7Confident58Low171 Ų171148 Ų14874%0.74380%0.799SS**  trans-106.4113.4178.3-68.1-177.2179.2177.60110.8D233 K237D233-K235 PolarHBondContact O-N 3.4Å; D233-K235 VanDerWaalsContact O-N 3.07Å; K235-K237 PolarHBondContact O-N 3.16Å
236N59.2Low56.7Low163 Ų163145.7 Ų145.787%0.87280%0.796SS**PPolyproline II helixtrans-64.8126.7173.6-69.8-25.8000110.2
237K55.4Low55.3Low166 Ų166144.2 Ų144.272%0.72280%0.796SS**PPolyproline II helixtrans-82.4129173.6-155.7-176.9-179-164.30108.2K235 D239K235-K237 PolarHBondContact O-N 3.16Å; K237-D239 PolarHBondContact O-N 3.2Å
238Q51.1Low53.9Low187 Ų187150.4 Ų150.487%0.87481%0.807SS**PPolyproline II helixtrans-68.1118.5171.3-76.3172.4-25.400109.3
239D48.5Very low52Low155 Ų155150.5 Ų150.583%0.82981%0.813SS**PPolyproline II helixtrans-81.5133168.2-76-31.1000110.1K237K237-D239 PolarHBondContact O-N 3.2Å
240K45Very low50.6Low192 Ų192154.1 Ų154.184%0.83581%0.812SS**  trans-137.7111.9160.5-79.5-171.4175.2-1760106
241T39.8Very low49Very low134 Ų134146.6 Ų146.682%0.82280%0.799SS**  172.3119.398.937.90000108.7
242D40.5Very low47.5Very low153 Ų153148.2 Ų148.282%0.81881%0.813SS**  trans-53.6149.5159.7-52.2-71000111.4
243E43.6Very low46.4Very low201 Ų201143.4 Ų143.494%0.93979%0.788SS**  -170.1140.9114.7-100.4176.2-170.900110.9
244A36.5Very low45.4Very low93 Ų93146.8 Ų146.877%0.76980%0.796SS**  trans-83.6155-161.300000113.9
245D37.6Very low45Very low170 Ų170152.5 Ų152.591%0.90980%0.804SS**  -146.5135.4128.5-153.74.8000111.2
246N37Very low44Very low158 Ų158153.2 Ų153.285%0.84580%0.802SS**  trans-93.2138.4-161.3-107.8-31.4000111.7
247G38.4Very low43.8Very low68 Ų68153.5 Ų153.570%0.70180%0.798SS**  trans-175.155.2175.800000117.7
248Q39.1Very low43.8Very low196 Ų196157.8 Ų157.892%0.91681%0.81SS**  trans70.7125.2152.8-66.7177.5-15.900120.6
249S34.2Very low44.4Very low120 Ų120152.6 Ų152.684%0.83981%0.806SS**PPolyproline II helixtrans-72.1129.8-169.552.90000116.2
250L39.6Very low45.3Very low155 Ų155150.1 Ų150.181%0.81280%0.797SS**PPolyproline II helixtrans-99.7116.7153.3-94.996.2000110
251G38.4Very low46.2Very low52 Ų52144.9 Ų144.954%0.53678%0.782SS.*PPolyproline II helixtrans-62.3151.9175.100000114.7
252Q40.9Very low47.7Very low195 Ų195144 Ų14491%0.91177%0.773SS**PPolyproline II helixtrans-49.1135.6-172.6-68.1160.3-10.300115.4
253L44.7Very low49.2Very low84 Ų84145.6 Ų145.644%0.4477%0.768SS.*  trans-107.2118.6162.6-85.6166.1000110.4K214 P216K214-L253 HydrophobicContact CB-CD1 3.65Å; K214-L253 HydrophobicContact CB-CD2 3.83Å; K214-L253 HydrophobicContact CB-CG 3.94Å; K214-L253 WeakPolarHBondContact O-CD1 3.43Å; K214-L253 WeakPolarHBondContact O-CD2 3.35Å; P216-L253 HydrophobicContact CB-CD1 4.28Å; P216-L253 HydrophobicContact CG-CD1 4.2Å
254K50.8Low50.7Low198 Ų198142.8 Ų142.886%0.86176%0.76SS**  trans-68.1127.7173.3-73.8177.1177.51740110.5
255E53.4Low52.4Low192 Ų192143.7 Ų143.790%0.89774%0.744SS**  trans-57.6128.5174.5-157158.1-162.800110.9
256R49.6Very low54Low185 Ų185142.7 Ų142.770%0.69873%0.734SS**  trans-107.1116.6174.3-72.6-175.1178.9176.7-0109.4
257E57.1Low55.4Low170 Ų170140.9 Ų140.979%0.79473%0.731SS**  trans-72.4127.9173.7-64.3-167.9159.200111.1G259E257-G259 PolarHBondContact O-N 3.4Å
258R54.1Low56.7Low256 Ų256141.6 Ų141.697%0.96674%0.738SS**THydrogen-bonded Turntrans-62130.7172.5-103.1-177.3-175-165.62.5109.6
259G62.9Low57.9Low77 Ų77135.6 Ų135.679%0.79472%0.718SS**THydrogen-bonded Turntrans1151.2166.100000116.5E257 P261E257-G259 PolarHBondContact O-N 3.4Å; G259-P261 WeakPolarHBondContact O-CD 3.33Å
260V69Low59.2Low104 Ų104135.2 Ų135.263%0.6371%0.706SS**  trans-94.6114.2173.2-172.20000109.8Y263V260-Y263 HydrophobicContact CG1-CE2 4.04Å
261P64Low60.3Low81 Ų81133.1 Ų133.153%0.52670%0.7SS.*  trans-61.7148.7174.4-18.731.1000111.7G259 Y263G259-P261 WeakPolarHBondContact O-CD 3.33Å; P261-Y263 VanDerWaalsContact O-CD2 3.24Å; P261-Y263 WeakPolarHBondContact O-CD2 3.49Å; P261-Y263 PolarHBondContact O-N 3.17Å
262N69.8Low61.3Low117 Ų117137.8 Ų137.863%0.62671%0.705SS**  trans-7397.6172.9-176.99000110.3N264 Y265N262-N264 PolarHBondContact O-N 2.98Å; N262-N264 PolarHBondContact OD1-N 3.44Å; N262-Y265 PolarHBondContact O-N 3.26Å
263Y73.5Confident62.6Low186 Ų186137.8 Ų137.873%0.72970%0.703SS**THydrogen-bonded Turntrans-68.9-11.2177.3-65.9-77.3000114.1V260 P261 Y265V260-Y263 HydrophobicContact CG1-CE2 4.04Å; P261-Y263 VanDerWaalsContact O-CD2 3.24Å; P261-Y263 WeakPolarHBondContact O-CD2 3.49Å; P261-Y263 PolarHBondContact O-N 3.17Å; Y263-Y265 VanDerWaalsContact C-N 3.33Å
264N74.4Confident63Low141 Ų141143.6 Ų143.675%0.75472%0.719SS**THydrogen-bonded Turntrans-94.616.5176.9-65-9.6000112.6N262 Q266N262-N264 PolarHBondContact O-N 2.98Å; N262-N264 PolarHBondContact OD1-N 3.44Å; N264-Q266 PolarHBondContact O-N 3.14Å
265Y73Confident62.9Low112 Ų112142.6 Ų142.644%0.43972%0.723SS.*PPolyproline II helixtrans-61.2125.1174.5170.4-98.4000110.8N262 Y263 P267 S269 L270N262-Y265 PolarHBondContact O-N 3.26Å; Y263-Y265 VanDerWaalsContact C-N 3.33Å; Y265-P267 HydrophobicContact CE1-CG 4.41Å; Y265-S269 VanDerWaalsContact CE2-O 3.22Å; Y265-S269 WeakPolarHBondContact CE2-O 3.4Å; Y265-L270 HydrophobicContact CE2-CD1 4.01Å; Y265-L270 HydrophobicContact CE2-CG 4.25Å; Y265-L270 VanDerWaalsContact OH-CD1 3.26Å; Y265-L270 WeakPolarHBondContact OH-CD1 2.91Å
266Q70.1Confident63Low150 Ų150139.1 Ų139.170%0.70171%0.714SS**PPolyproline II helixtrans-103.5132.5168.2-65.6-156.5-7.600110.1N264 G268 S269N264-Q266 PolarHBondContact O-N 3.14Å; Q266-G268 PolarHBondContact O-N 3.05Å; Q266-S269 PolarHBondContact O-N 3.49Å; Q266-S269 VanDerWaalsContact O-N 3.16Å
267P65.8Low63.1Low119 Ų119139.6 Ų139.677%0.77372%0.722SS**THydrogen-bonded Turntrans-52128.2173.4-24.232.9000110.8Y265Y265-P267 HydrophobicContact CE1-CG 4.41Å
268G66.9Low62.8Low83 Ų83140.2 Ų140.286%0.85673%0.725SS**THydrogen-bonded Turntrans106.1-10.5-176.100000115Q266Q266-G268 PolarHBondContact O-N 3.05Å
269S64.1Low62.7Low70 Ų70135.1 Ų135.149%0.4972%0.715SS.*  trans-119.882.9176.1-178.30000111.2Y265 Q266Y265-S269 VanDerWaalsContact CE2-O 3.22Å; Y265-S269 WeakPolarHBondContact CE2-O 3.4Å; Q266-S269 PolarHBondContact O-N 3.49Å; Q266-S269 VanDerWaalsContact O-N 3.16Å
270L61.4Low62Low112 Ų112136.8 Ų136.859%0.58671%0.712SS**  trans-93.4104.5165.8-96.9100.6000109.7Y265 F272Y265-L270 HydrophobicContact CE2-CD1 4.01Å; Y265-L270 HydrophobicContact CE2-CG 4.25Å; Y265-L270 VanDerWaalsContact OH-CD1 3.26Å; Y265-L270 WeakPolarHBondContact OH-CD1 2.91Å; L270-F272 HydrophobicContact CB-CE2 3.94Å; L270-F272 HydrophobicContact CB-CZ 4.49Å; L270-F272 HydrophobicContact CD2-CE1 4.47Å; L270-F272 HydrophobicContact CD2-CE2 4.05Å; L270-F272 HydrophobicContact CD2-CZ 3.74Å
271T63.2Low60.7Low112 Ų112138.6 Ų138.669%0.68772%0.723SS**  trans-86.4112.9170.654.60000110
272F59.3Low59.8Low149 Ų149142.6 Ų142.665%0.65473%0.734SS**  trans-90.6128.8172.5-68.6-89.7000110.5L270 R274L270-F272 HydrophobicContact CB-CE2 3.94Å; L270-F272 HydrophobicContact CB-CZ 4.49Å; L270-F272 HydrophobicContact CD2-CE1 4.47Å; L270-F272 HydrophobicContact CD2-CE2 4.05Å; L270-F272 HydrophobicContact CD2-CZ 3.74Å; F272-R274 PolarHBondContact O-N 3.46Å
273F66.6Low58.3Low196 Ų196147.2 Ų147.286%0.8675%0.749SS**  trans-71.890166-55.1-75.3000108.9
274R53.3Low56.9Low206 Ų206143.8 Ų143.878%0.77775%0.747SS**  trans-101.2115.3168.7-81-177.3178.1160.30.1109.3F272 V276F272-R274 PolarHBondContact O-N 3.46Å; R274-V276 VanDerWaalsContact C-N 3.32Å; R274-V276 HydrophobicContact CB-CG2 4.23Å; R274-V276 PolarHBondContact O-N 3.3Å
275N48.5Very low55.7Low177 Ų177145.9 Ų145.995%0.94775%0.753SS**  trans-66.992.3164.1-85.81.2000108.5
276V55.8Low54.7Low118 Ų118149.4 Ų149.472%0.71577%0.773SS**  trans-91.2106.3168.3-170.20000107.3R274 Q278R274-V276 VanDerWaalsContact C-N 3.32Å; R274-V276 HydrophobicContact CB-CG2 4.23Å; R274-V276 PolarHBondContact O-N 3.3Å; V276-Q278 PolarHBondContact O-N 2.81Å
277K53.1Low54Low196 Ų196148.1 Ų148.185%0.85278%0.778SS**  trans-70.2107.6173.9-141179.5-173-1760107.6I279K277-I279 PolarHBondContact O-N 3Å
278Q49.5Very low53.8Low183 Ų183148.4 Ų148.486%0.85578%0.777SS**PPolyproline II helixtrans-70.4120.7172-66.3-178.5-3.900108.6V276V276-Q278 PolarHBondContact O-N 2.81Å
279I51.8Low54.1Low148 Ų148152.8 Ų152.876%0.75977%0.773SS**PPolyproline II helixtrans-94121.5169.9-59.2170.1000106.3K277 V281K277-I279 PolarHBondContact O-N 3Å; I279-V281 PolarHBondContact O-N 2.98Å
280P48.1Very low54.5Low112 Ų112157.4 Ų157.473%0.72778%0.784SS**PPolyproline II helixtrans-70.3127.4178.3-9.825000110.1E282P280-E282 PolarHBondContact O-N 2.78Å
281V42.9Very low54.9Low143 Ų143155.7 Ų155.787%0.86778%0.78SS**  trans-82.593.1170.1179.80000107.9I279I279-V281 PolarHBondContact O-N 2.98Å
282E45.2Very low54.6Low164 Ų164160 Ų16077%0.76679%0.789SS**  trans-85.6130.5161.2-82.5-174.8157.300109.6P280 T284P280-E282 PolarHBondContact O-N 2.78Å; E282-T284 PolarHBondContact O-N 3.05Å; E282-T284 VanDerWaalsContact O-N 3.14Å
283K38.5Very low55Low215 Ų215158.3 Ų158.394%0.93580%0.796SS**  trans-67.2103.5168.4-71.6173.3176.6175.60107.5
284T43Very low55.2Low113 Ų113152.3 Ų152.369%0.69379%0.79SS**  trans-138.2126.2173.1-380000109.2E282E282-T284 PolarHBondContact O-N 3.05Å; E282-T284 VanDerWaalsContact O-N 3.14Å
285E49.2Very low56Low185 Ų185148.2 Ų148.286%0.86479%0.787SS**  trans-44.9136.7175.3-62.4166.816900111.2P287E285-P287 WeakPolarHBondContact O-CD 3.12Å
286E51.6Low57Low187 Ų187143.6 Ų143.687%0.87478%0.782SS**  trans-52.2118.2-175-64.9-178167.500111.8V288E286-V288 PolarHBondContact O-N 3.03Å
287P55.7Low57.8Low123 Ų123146 Ų14680%0.79979%0.785SS**  trans-76.7112.117629.3-30.3000109.3E285 F289E285-P287 WeakPolarHBondContact O-CD 3.12Å; P287-F289 PolarHBondContact O-N 2.91Å; P287-F289 VanDerWaalsContact O-N 3.16Å
288V62.4Low58.8Low124 Ų124146.1 Ų146.175%0.75279%0.789SS**  trans-51.8117.4171.9176.40000110.2E286 K290E286-V288 PolarHBondContact O-N 3.03Å; V288-K290 PolarHBondContact O-N 3.19Å
289F72.8Confident59.3Low175 Ų175145.8 Ų145.877%0.76879%0.792SS**  trans-60.9119.2177179.4-102.7000111.2P287 P291P287-F289 PolarHBondContact O-N 2.91Å; P287-F289 VanDerWaalsContact O-N 3.16Å; F289-P291 HydrophobicContact CD1-CG 4.45Å; F289-P291 HydrophobicContact CE1-CB 3.91Å; F289-P291 HydrophobicContact CE1-CG 3.85Å; F289-P291 HydrophobicContact CZ-CB 4.03Å; F289-P291 HydrophobicContact CZ-CG 4.47Å
290K71.9Confident59.7Low167 Ų167148.8 Ų148.873%0.72680%0.8SS**  trans-122.2104.2170.4-71.6-175.5-178.8177.30109.6V288V288-K290 PolarHBondContact O-N 3.19Å
291P70.3Confident60.4Low76 Ų76149.3 Ų149.349%0.49481%0.806SS.*THydrogen-bonded Turntrans-71.5146.7174.830.5-31.7000110.1F289F289-P291 HydrophobicContact CD1-CG 4.45Å; F289-P291 HydrophobicContact CE1-CB 3.91Å; F289-P291 HydrophobicContact CE1-CG 3.85Å; F289-P291 HydrophobicContact CZ-CB 4.03Å; F289-P291 HydrophobicContact CZ-CG 4.47Å
292F57.7Low61.3Low202 Ų202154.3 Ų154.389%0.88681%0.809SS**THydrogen-bonded Turntrans74.238.3175.1-49.4-79.5000118.2G294F292-G294 PolarHBondContact O-N 3.07Å; F292-G294 VanDerWaalsContact O-N 3.17Å
293S66.6Low61.5Low114 Ų114156.8 Ų156.880%0.79782%0.817SS**  trans-79.119.2173.858.10000115.6
294G70.7Confident61.9Low71 Ų71159.7 Ų159.773%0.73283%0.83SS**  trans-79.5128.1-179.800000112.9F292 G296F292-G294 PolarHBondContact O-N 3.07Å; F292-G294 VanDerWaalsContact O-N 3.17Å; G294-G296 PolarHBondContact O-N 3.36Å
295T70.7Confident62.9Low119 Ų119162.1 Ų162.173%0.7384%0.837SS**  trans-75.8112.8171.343.90000110.8H297T295-H297 PolarHBondContact O-N 3.23Å; T295-H297 PolarHBondContact O-ND1 3.45Å
296G69Low63.6Low81 Ų81160.8 Ų160.884%0.83584%0.835SS**  trans-66.7129.117500000111.9G294G294-G296 PolarHBondContact O-N 3.36Å
297H73.3Confident64.3Low169 Ų169159.4 Ų159.478%0.78283%0.833SS**  trans-106.8122.6175-73.370.3000109.9T295T295-H297 PolarHBondContact O-N 3.23Å; T295-H297 PolarHBondContact O-ND1 3.45Å
298Q73.2Confident64.8Low198 Ų198161.5 Ų161.593%0.92584%0.835SS**  trans-84135.1173.1-77.4-176.9-9.700111.2
299L59.7Low64.9Low176 Ų176163.9 Ų163.992%0.92184%0.84SS**  trans-73.7130.1172.9-81.4152.3000110.5S301L299-S301 PolarHBondContact O-N 3.4Å
300K61.3Low64.4Low211 Ų211163.1 Ų163.192%0.91785%0.845SS**  trans-41.4127.7179.7-70.4173.3176173.40113.7
301S62.4Low63.8Low122 Ų122162.9 Ų162.985%0.85385%0.854SS**PPolyproline II helixtrans-95.9145.1158.355.90000111.5L299L299-S301 PolarHBondContact O-N 3.4Å
302R62.1Low63.4Low249 Ų249169.5 Ų169.594%0.9488%0.881SS**PPolyproline II helixtrans-58.8147.4-161.6-76.3164.9127.1-178.9-3.9117
303K48.9Very low63.8Low215 Ų215166.8 Ų166.894%0.93588%0.881SS**PPolyproline II helixtrans-53.9139.1161.4-80.2-180171-178.40111.9
304K47.8Very low63.6Low277 Ų277171.6 Ų171.6100%1.20489%0.889SS**  trans-130.90142.2-151.3179.3-172.7-176.20107.6

Retrieved 304 of 304 residues in 94.7 ms (Link to these results)