G4V8R9_SCHMA Loading...

Putative nucleolar protein family A member

AlphaFold DB , UniProt , Accession G4V8R9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 151 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M39.8Very low37.1Very low242 Ų242146.6 Ų146.6100%1.19282%0.817SS**  0126.70-79.3176.9-175.400106.6
2T37.3Very low37Very low135 Ų135139.7 Ų139.783%0.82880%0.803SS**  trans-69.9119.4-146.2-30.40000114
3E38.3Very low37.2Very low181 Ų181137.9 Ų137.985%0.84679%0.789SS**  trans-72.5119.4162.6-68.2-177.2135.800108.1E5E3-E5 PolarHBondContact O-N 3.31Å
4I45.7Very low37.7Very low142 Ų142141.3 Ų141.373%0.72879%0.794SS**  trans-93.992.9171.1-59.5172.6000106I6I4-I6 HydrophobicContact CG2-CD1 4.34Å; I4-I6 HydrophobicContact CG2-CG1 3.8Å; I4-I6 PolarHBondContact O-N 3.14Å
5E36Very low38.2Very low174 Ų174141.5 Ų141.581%0.81379%0.793SS**  trans-69.6112161.8-74.7-174.7108.300108.6E3 S7E3-E5 PolarHBondContact O-N 3.31Å; E5-S7 PolarHBondContact O-N 3.33Å
6I42.5Very low39.2Very low155 Ų155140.4 Ų140.480%0.79577%0.773SS**  trans-96.679.9166.1-51.4179.7000106.5I4I4-I6 HydrophobicContact CG2-CD1 4.34Å; I4-I6 HydrophobicContact CG2-CG1 3.8Å; I4-I6 PolarHBondContact O-N 3.14Å
7S34.5Very low40.1Very low90 Ų90138.2 Ų138.263%0.62977%0.767SS**  trans-82.4154.4163.757.10000110.5E5E5-S7 PolarHBondContact O-N 3.33Å
8S34.1Very low41.5Very low118 Ų118141.3 Ų141.383%0.82577%0.774SS**  trans74.4119.1174.575.60000114.2
9G29.8Very low43.1Very low67 Ų67136.4 Ų136.469%0.69175%0.751SS**  cis110.695.732.500000106.2
10L38.6Very low45.2Very low157 Ų157132.8 Ų132.882%0.82273%0.733SS**  trans-166.3111.9163.6-97.7143.3000108.9G12L10-G12 PolarHBondContact O-N 3.33Å
11N31Very low47.1Very low152 Ų152128 Ų12881%0.81370%0.704SS**  trans-57.8107166.5-74.7-52.9000109.1
12G35.9Very low49.4Very low63 Ų63122.6 Ų122.665%0.64968%0.676SS**  trans-105.293.6172.600000110.2L10L10-G12 PolarHBondContact O-N 3.33Å
13D40.7Very low51.8Low117 Ų117120.8 Ų120.863%0.62666%0.658SS**  trans52.872.6158.8-156.232.1000118N15D13-N15 PolarHBondContact O-N 3.16Å; D13-N15 VanDerWaalsContact O-N 3.17Å
14Q43.4Very low54.2Low185 Ų185113.4 Ų113.486%0.86462%0.624SS**THydrogen-bonded Turntrans-74.915.3166.6-64.6-174.117.500113.2
15N44.9Very low56.2Low144 Ų144109.8 Ų109.877%0.7761%0.605SS**THydrogen-bonded Turntrans-125.217.3-173.7-140.89000114.3D13 P17D13-N15 PolarHBondContact O-N 3.16Å; D13-N15 VanDerWaalsContact O-N 3.17Å; N15-P17 WeakPolarHBondContact O-CD 3.33Å
16R54.1Low58.7Low125 Ų125109.4 Ų109.447%0.47260%0.603SS.*SBendtrans-72.7121167.6-163.6176.4-169.4-153.11.4108.2E18R16-E18 PolarHBondContact O-N 3.27Å; R16-E18 VanDerWaalsContact O-N 3.14Å
17P55Low60.8Low103 Ų103106.6 Ų106.667%0.66960%0.597SS**  trans-55.5125.517222.2-30.9000107.9N15 S19N15-P17 WeakPolarHBondContact O-CD 3.33Å; P17-S19 VanDerWaalsContact C-N 3.29Å; P17-S19 PolarHBondContact O-N 3.15Å
18E64.8Low63.5Low194 Ų194104 Ų10491%0.90758%0.577SS**  trans-61.394176.3-71.7-170.3162.600108.2R16 T20R16-E18 PolarHBondContact O-N 3.27Å; R16-E18 VanDerWaalsContact O-N 3.14Å; E18-T20 PolarHBondContact O-N 3.28Å
19S72.7Confident66.1Low47 Ų4799.4 Ų99.433%0.32955%0.549SS..  trans-60.8134.3176.9-56.60000109.1P17 E23P17-S19 VanDerWaalsContact C-N 3.29Å; P17-S19 PolarHBondContact O-N 3.15Å; S19-E23 VanDerWaalsContact CA-OE2 3.31Å; S19-E23 WeakPolarHBondContact CA-OE2 3.43Å
20T85.9Confident68.9Low65 Ų65102.8 Ų102.840%0.39956%0.556SS.*  trans-61.8148.5176.9-59.60000109.2E18 E22 E23 Q24E18-T20 PolarHBondContact O-N 3.28Å; T20-E22 HydrophobicContact CG2-CB 4.34Å; T20-E22 PolarHBondContact O-N 3.37Å; T20-E23 PolarHBondContact N-OE2 2.96Å; T20-E23 WeakPolarHBondContact O-CB 3.5Å; T20-E23 PolarHBondContact O-N 2.97Å; T20-Q24 WeakPolarHBondContact O-CG 3.35Å; T20-Q24 PolarHBondContact O-N 3.42Å
21Y85.1Confident71.3Confident31 Ų3197.8 Ų97.812%0.12253%0.527CS..Hα-helixtrans-46.8-38.5176.3-169.8-104.1000113.5Q24 I25 A36 K38 T41 P107Y21-Q24 PolarHBondContact O-N 3.31Å; Y21-I25 HydrophobicContact CD1-CD1 3.56Å; Y21-I25 HydrophobicContact CD1-CG1 4.36Å; Y21-I25 HydrophobicContact CE1-CD1 3.15Å; Y21-I25 HydrophobicContact CE1-CG1 4.07Å; Y21-I25 WeakPolarHBondContact O-CG1 3.22Å; Y21-I25 PolarHBondContact O-N 2.82Å; Y21-A36 PolarHBondContact OH-O 3.2Å; Y21-K38 HydrophobicContact CD1-CB 3.67Å; Y21-K38 HydrophobicContact CD1-CD 4.23Å; Y21-K38 HydrophobicContact CD1-CG 3.97Å; Y21-K38 HydrophobicContact CD2-CB 4.42Å; Y21-K38 HydrophobicContact CD2-CG 4.25Å; Y21-K38 HydrophobicContact CE1-CB 3.8Å; Y21-K38 HydrophobicContact CG-CB 4Å; Y21-K38 HydrophobicContact CG-CD 4.18Å; Y21-K38 HydrophobicContact CG-CG 3.82Å; Y21-T41 HydrophobicContact CE2-CG2 4.01Å; Y21-T41 PolarHBondContact OH-OG1 3.19Å; Y21-P107 HydrophobicContact CD2-CG 4Å; Y21-P107 HydrophobicContact CE2-CG 3.6Å
22E87.3Confident74.1Confident129 Ų12990.8 Ų90.860%0.60349%0.49SS*.Hα-helixtrans-67.7-41178.8-71.1160-143.800112.3T20 I25 Q26T20-E22 HydrophobicContact CG2-CB 4.34Å; T20-E22 PolarHBondContact O-N 3.37Å; E22-I25 PolarHBondContact O-N 3.36Å; E22-Q26 PolarHBondContact O-N 3.1Å
23E88Confident76.6Confident97 Ų9793 Ų9345%0.45348%0.484SS..Hα-helixtrans-66.9-41.8174.9-61.5172.8144.100110.7S19 T20 I25 Q26S19-E23 VanDerWaalsContact CA-OE2 3.31Å; S19-E23 WeakPolarHBondContact CA-OE2 3.43Å; T20-E23 PolarHBondContact N-OE2 2.96Å; T20-E23 WeakPolarHBondContact O-CB 3.5Å; T20-E23 PolarHBondContact O-N 2.97Å; E23-I25 VanDerWaalsContact C-N 3.3Å; E23-I25 PolarHBondContact O-N 2.91Å; E23-Q26 WeakPolarHBondContact O-CB 3.3Å; E23-Q26 PolarHBondContact O-N 3.14Å; E23-Q26 VanDerWaalsContact O-N 3.15Å
24Q88Confident79.1Confident26 Ų2687.8 Ų87.812%0.12146%0.457CS..Hα-helixtrans-63.2-38.5177.7-60.1-179.5-28.500111.5T20 Y21 Q26 C27 V28 P107 D111T20-Q24 WeakPolarHBondContact O-CG 3.35Å; T20-Q24 PolarHBondContact O-N 3.42Å; Y21-Q24 PolarHBondContact O-N 3.31Å; Q24-Q26 VanDerWaalsContact C-N 3.27Å; Q24-Q26 PolarHBondContact O-N 3.27Å; Q24-C27 PolarHBondContact O-N 3.47Å; Q24-C27 VanDerWaalsContact O-N 3.1Å; Q24-V28 WeakPolarHBondContact O-CG1 3.49Å; Q24-P107 HydrophobicContact CB-CB 3.73Å; Q24-P107 HydrophobicContact CB-CG 4.09Å; Q24-D111 PolarHBondContact NE2-OD2 3.16Å
25I88.9Confident81.4Confident67 Ų6781.3 Ų81.334%0.34443%0.427SS..Hα-helixtrans-60.5-35.8175.3-77.5173.4000111.7Y21 E22 E23 C27 V28 P107Y21-I25 HydrophobicContact CD1-CD1 3.56Å; Y21-I25 HydrophobicContact CD1-CG1 4.36Å; Y21-I25 HydrophobicContact CE1-CD1 3.15Å; Y21-I25 HydrophobicContact CE1-CG1 4.07Å; Y21-I25 WeakPolarHBondContact O-CG1 3.22Å; Y21-I25 PolarHBondContact O-N 2.82Å; E22-I25 PolarHBondContact O-N 3.36Å; E23-I25 VanDerWaalsContact C-N 3.3Å; E23-I25 PolarHBondContact O-N 2.91Å; I25-C27 PolarHBondContact O-N 3.28Å; I25-V28 WeakPolarHBondContact O-CG2 3.44Å; I25-V28 PolarHBondContact O-N 3.36Å; I25-P107 HydrophobicContact CG1-CB 4.45Å
26Q88.4Confident83.7Confident165 Ų16574.6 Ų74.677%0.77139%0.392SS*.Hα-helixtrans-66.1-20.2178.2-67.5173.6-7.900112.8E22 E23 Q24E22-Q26 PolarHBondContact O-N 3.1Å; E23-Q26 WeakPolarHBondContact O-CB 3.3Å; E23-Q26 PolarHBondContact O-N 3.14Å; E23-Q26 VanDerWaalsContact O-N 3.15Å; Q24-Q26 VanDerWaalsContact C-N 3.27Å; Q24-Q26 PolarHBondContact O-N 3.27Å
27C86Confident85.6Confident97 Ų9771.8 Ų71.866%0.65539%0.391SS*.THydrogen-bonded Turntrans-96.62.4179.1-59.50000114Q24 I25Q24-C27 PolarHBondContact O-N 3.47Å; Q24-C27 VanDerWaalsContact O-N 3.1Å; I25-C27 PolarHBondContact O-N 3.28Å
28V91.6Very high87.3Confident34 Ų3471.3 Ų71.321%0.20638%0.378CS..SBendtrans-82.2149.6178.3-53.60000111Q24 I25 A32 M35 G81 P107Q24-V28 WeakPolarHBondContact O-CG1 3.49Å; I25-V28 WeakPolarHBondContact O-CG2 3.44Å; I25-V28 PolarHBondContact O-N 3.36Å; V28-A32 HydrophobicContact CB-CB 4.22Å; V28-A32 HydrophobicContact CG2-CB 4.3Å; V28-M35 HydrophobicContact CB-CE 4.07Å; V28-M35 HydrophobicContact CG1-CE 3.86Å; V28-M35 HydrophobicContact CG2-CE 3.85Å; V28-G81 WeakPolarHBondContact CA-O 3.39Å; V28-P107 HydrophobicContact CG1-CB 3.88Å
29G87.7Confident88.7Confident23 Ų2369.9 Ų69.924%0.23737%0.369CS..  trans-67149.4171.600000111.7F31 A32 G81G29-F31 PolarHBondContact O-N 3.21Å; G29-A32 VanDerWaalsContact O-CB 3.25Å; G29-A32 WeakPolarHBondContact O-CB 3.49Å; G29-A32 PolarHBondContact O-N 3.02Å; G29-G81 PolarHBondContact N-O 3.48Å
30V88.4Confident89.7Confident138 Ų13868.1 Ų68.184%0.83636%0.356SS*.THydrogen-bonded Turntrans-58.4-21.3176.8-64.30000113.4A32 Q33V30-A32 VanDerWaalsContact C-N 3.27Å; V30-A32 PolarHBondContact O-N 3.38Å; V30-Q33 PolarHBondContact O-NE2 3.3Å
31F88.7Confident90.1Very high52 Ų5265.1 Ų65.123%0.22834%0.338CS..THydrogen-bonded Turntrans-72.3-14.4176.264.4-102.6000113.9G29 Q33 F86 I89 Y105G29-F31 PolarHBondContact O-N 3.21Å; F31-Q33 PolarHBondContact O-N 3.39Å; F31-F86 HydrophobicContact CB-CD2 4.01Å; F31-F86 HydrophobicContact CB-CE2 3.67Å; F31-F86 HydrophobicContact CB-CZ 4.06Å; F31-F86 HydrophobicContact CD1-CB 4.04Å; F31-F86 AromaticContact CD1-CD2 3.41Å; F31-F86 HydrophobicContact CD1-CD2 3.41Å; F31-F86 VanDerWaalsContact CD1-CD2 3.41Å; F31-F86 HydrophobicContact CD1-CE2 4Å; F31-F86 AromaticContact CD1-CG 3.78Å; F31-F86 HydrophobicContact CD1-CG 3.78Å; F31-F86 AromaticContact CD2-CD2 3.35Å; F31-F86 HydrophobicContact CD2-CD2 3.35Å; F31-F86 AromaticContact CD2-CE2 3.38Å; F31-F86 HydrophobicContact CD2-CE2 3.38Å; F31-F86 HydrophobicContact CD2-CG 4.48Å; F31-F86 HydrophobicContact CE1-CB 3.78Å; F31-F86 AromaticContact CE1-CD2 3.59Å; F31-F86 HydrophobicContact CE1-CD2 3.59Å; F31-F86 AromaticContact CE1-CG 3.95Å; F31-F86 HydrophobicContact CE1-CG 3.95Å; F31-F86 AromaticContact CE2-CD2 3.57Å; F31-F86 HydrophobicContact CE2-CD2 3.57Å; F31-F86 HydrophobicContact CE2-CE2 4Å; F31-F86 AromaticContact CG-CD2 3.29Å; F31-F86 HydrophobicContact CG-CD2 3.29Å; F31-F86 AromaticContact CG-CE2 3.4Å; F31-F86 HydrophobicContact CG-CE2 3.4Å; F31-F86 HydrophobicContact CG-CG 4.07Å; F31-F86 HydrophobicContact CG-CZ 4.24Å; F31-F86 HydrophobicContact CZ-CB 4.32Å; F31-F86 AromaticContact CZ-CD2 3.69Å; F31-F86 HydrophobicContact CZ-CD2 3.69Å; F31-F86 HydrophobicContact CZ-CG 4.41Å; F31-I89 HydrophobicContact CE2-CD1 4.06Å; F31-Y105 AromaticContact CD2-CE1 3.99Å; F31-Y105 HydrophobicContact CD2-CE1 3.99Å; F31-Y105 AromaticContact CE2-CE1 3.97Å; F31-Y105 HydrophobicContact CE2-CE1 3.97Å
32A90.1Very high90.5Very high4 Ų469.9 Ų69.93%0.03336%0.359CS..  trans-77.362.3-170.500000112.2V28 G29 V30 M35 Y105V28-A32 HydrophobicContact CB-CB 4.22Å; V28-A32 HydrophobicContact CG2-CB 4.3Å; G29-A32 VanDerWaalsContact O-CB 3.25Å; G29-A32 WeakPolarHBondContact O-CB 3.49Å; G29-A32 PolarHBondContact O-N 3.02Å; V30-A32 VanDerWaalsContact C-N 3.27Å; V30-A32 PolarHBondContact O-N 3.38Å; A32-M35 HydrophobicContact CB-CE 3.64Å; A32-Y105 VanDerWaalsContact C-CD2 3.49Å; A32-Y105 HydrophobicContact CB-CD1 3.75Å; A32-Y105 HydrophobicContact CB-CE1 4.35Å; A32-Y105 HydrophobicContact CB-CG 3.83Å
33Q89Confident90.9Very high109 Ų10966.8 Ų66.851%0.50934%0.342SS..  trans-125.9130.8-178.9-58-173.124.200110V30 F31 Y105 P150V30-Q33 PolarHBondContact O-NE2 3.3Å; F31-Q33 PolarHBondContact O-N 3.39Å; Q33-Y105 VanDerWaalsContact O-CE2 3.22Å; Q33-Y105 WeakPolarHBondContact O-CE2 3.22Å; Q33-P150 HydrophobicContact CB-CB 4.1Å; Q33-P150 HydrophobicContact CB-CG 4.28Å
34P93.7Very high91.2Very high9 Ų962.1 Ų62.16%0.05832%0.32CS..SBendcis-80.3134.92.129.6-30.5000113.4Y105 L147 P148P34-Y105 PolarHBondContact O-N 2.86Å; P34-L147 HydrophobicContact CB-CB 3.66Å; P34-L147 HydrophobicContact CB-CD1 4.04Å; P34-L147 HydrophobicContact CB-CG 4.35Å; P34-L147 HydrophobicContact CG-CB 3.83Å; P34-L147 HydrophobicContact CG-CD1 4.09Å; P34-P148 WeakPolarHBondContact CB-O 3.37Å
35M91.8Very high91.5Very high48 Ų4862.6 Ų62.624%0.23632%0.321CS..BIsolated β-bridgetrans-82.2130173.7-175.259.262.600110.4V28 A32 Y105V28-M35 HydrophobicContact CB-CE 4.07Å; V28-M35 HydrophobicContact CG1-CE 3.86Å; V28-M35 HydrophobicContact CG2-CE 3.85Å; A32-M35 HydrophobicContact CB-CE 3.64Å; M35-Y105 VanDerWaalsContact SD-O 3.34Å
36A93.1Very high91.8Very high4 Ų466.1 Ų66.13%0.03333%0.334CS..PPolyproline II helixtrans-61.9152174.200000110.9Y21 L40 T41 L44 Y105Y21-A36 PolarHBondContact OH-O 3.2Å; A36-L40 HydrophobicContact CB-CB 4.24Å; A36-L40 HydrophobicContact CB-CD2 4.02Å; A36-L40 HydrophobicContact CB-CG 4.12Å; A36-T41 WeakPolarHBondContact CB-OG1 3.24Å; A36-L44 HydrophobicContact CB-CD1 4.11Å; A36-Y105 WeakPolarHBondContact CB-O 3.49Å; A36-Y105 PolarHBondContact N-O 3.15Å
37S92.6Very high92.2Very high66 Ų6658.3 Ų58.346%0.46230%0.297SS..PPolyproline II helixtrans-76.2157.6169.667.60000110.9K39 L40 T41S37-K39 PolarHBondContact O-N 3.16Å; S37-L40 CarbonylContact O-C 3.58Å; S37-L40 WeakPolarHBondContact O-CA 3.37Å; S37-L40 PolarHBondContact O-N 3.49Å; S37-L40 WeakPolarHBondContact OG-CB 3.4Å; S37-L40 PolarHBondContact OG-N 3.27Å; S37-T41 PolarHBondContact O-N 2.9Å; S37-T41 PolarHBondContact O-OG1 3.17Å; S37-T41 VanDerWaalsContact O-OG1 3.07Å
38K92.1Very high92.6Very high92 Ų9253.7 Ų53.740%0.427%0.266SS..Hα-helixtrans-49.3-37175.7-170.9174-173.5171.30113.2Y21 K42Y21-K38 HydrophobicContact CD1-CB 3.67Å; Y21-K38 HydrophobicContact CD1-CD 4.23Å; Y21-K38 HydrophobicContact CD1-CG 3.97Å; Y21-K38 HydrophobicContact CD2-CB 4.42Å; Y21-K38 HydrophobicContact CD2-CG 4.25Å; Y21-K38 HydrophobicContact CE1-CB 3.8Å; Y21-K38 HydrophobicContact CG-CB 4Å; Y21-K38 HydrophobicContact CG-CD 4.18Å; Y21-K38 HydrophobicContact CG-CG 3.82Å; K38-K42 WeakPolarHBondContact O-CG 3.41Å; K38-K42 PolarHBondContact O-N 2.92Å
39K92.8Very high92.7Very high165 Ų16559 Ų5972%0.71728%0.283SS*.Hα-helixtrans-71.8-42.5177.2-172.4177.1-178.5-179.50111.6S37 R43S37-K39 PolarHBondContact O-N 3.16Å; K39-R43 WeakPolarHBondContact O-CG 3.39Å; K39-R43 PolarHBondContact O-N 3.41Å
40L94.2Very high93Very high9 Ų962.8 Ų62.85%0.04729%0.292CS..Hα-helixtrans-67.4-45.3177.9-177.256.7000111.2A36 S37 K42 R43 L44 A143 V144 L147A36-L40 HydrophobicContact CB-CB 4.24Å; A36-L40 HydrophobicContact CB-CD2 4.02Å; A36-L40 HydrophobicContact CB-CG 4.12Å; S37-L40 CarbonylContact O-C 3.58Å; S37-L40 WeakPolarHBondContact O-CA 3.37Å; S37-L40 PolarHBondContact O-N 3.49Å; S37-L40 WeakPolarHBondContact OG-CB 3.4Å; S37-L40 PolarHBondContact OG-N 3.27Å; L40-K42 VanDerWaalsContact C-N 3.33Å; L40-K42 PolarHBondContact O-N 3.02Å; L40-R43 CarbonylContact O-C 3.56Å; L40-R43 WeakPolarHBondContact O-CA 3.34Å; L40-R43 WeakPolarHBondContact O-CB 2.97Å; L40-R43 PolarHBondContact O-N 3.35Å; L40-L44 HydrophobicContact CD1-CD1 4.43Å; L40-L44 HydrophobicContact CD1-CG 4.18Å; L40-L44 HydrophobicContact CG-CD1 3.94Å; L40-L44 HydrophobicContact CG-CG 4.19Å; L40-L44 WeakPolarHBondContact O-CG 3.31Å; L40-L44 PolarHBondContact O-N 3.08Å; L40-A143 HydrophobicContact CD1-CB 3.71Å; L40-A143 HydrophobicContact CD2-CB 4.34Å; L40-V144 HydrophobicContact CD2-CG2 4.13Å; L40-L147 HydrophobicContact CD2-CD1 4.14Å
41T94.3Very high93.3Very high3 Ų356.2 Ų56.22%0.01825%0.252CS..Hα-helixtrans-53.8-47.1177-55.70000112Y21 A36 S37 R43 L44 Y45 V106Y21-T41 HydrophobicContact CE2-CG2 4.01Å; Y21-T41 PolarHBondContact OH-OG1 3.19Å; A36-T41 WeakPolarHBondContact CB-OG1 3.24Å; S37-T41 PolarHBondContact O-N 2.9Å; S37-T41 PolarHBondContact O-OG1 3.17Å; S37-T41 VanDerWaalsContact O-OG1 3.07Å; T41-R43 VanDerWaalsContact C-N 3.26Å; T41-R43 PolarHBondContact O-N 3.31Å; T41-L44 PolarHBondContact O-N 3.16Å; T41-Y45 HydrophobicContact CG2-CD1 4.42Å; T41-Y45 HydrophobicContact CG2-CD2 4.15Å; T41-Y45 HydrophobicContact CG2-CE1 3.84Å; T41-Y45 HydrophobicContact CG2-CE2 3.55Å; T41-Y45 VanDerWaalsContact O-CG 3.28Å; T41-Y45 PolarHBondContact O-N 3.29Å; T41-V106 HydrophobicContact CG2-CB 4.27Å; T41-V106 HydrophobicContact CG2-CG1 4.06Å
42K93.8Very high93.5Very high131 Ų13157.5 Ų57.557%0.5726%0.258SS*.Hα-helixtrans-60.1-34.4174.9-73.1-178.7179.7-1720113.2K38 L40 K46K38-K42 WeakPolarHBondContact O-CG 3.41Å; K38-K42 PolarHBondContact O-N 2.92Å; L40-K42 VanDerWaalsContact C-N 3.33Å; L40-K42 PolarHBondContact O-N 3.02Å; K42-K46 WeakPolarHBondContact O-CG 3.14Å; K42-K46 PolarHBondContact O-N 3.22Å
43R94.9Very high93.6Very high63 Ų6367 Ų6724%0.23829%0.293CS..Hα-helixtrans-75-41.7178.4-67.6176.563.9-143.8-26.3111.3K39 L40 T41 K46 L47 K139 C140K39-R43 WeakPolarHBondContact O-CG 3.39Å; K39-R43 PolarHBondContact O-N 3.41Å; L40-R43 CarbonylContact O-C 3.56Å; L40-R43 WeakPolarHBondContact O-CA 3.34Å; L40-R43 WeakPolarHBondContact O-CB 2.97Å; L40-R43 PolarHBondContact O-N 3.35Å; T41-R43 VanDerWaalsContact C-N 3.26Å; T41-R43 PolarHBondContact O-N 3.31Å; R43-K46 WeakPolarHBondContact O-CB 3.04Å; R43-K46 PolarHBondContact O-N 2.92Å; R43-L47 WeakPolarHBondContact O-CB 3.12Å; R43-L47 PolarHBondContact O-N 3.39Å; R43-K139 PolarHBondContact NH1-O 3.21Å; R43-K139 VanDerWaalsContact NH1-O 3.15Å; R43-K139 PolarHBondContact NH2-O 3.1Å; R43-C140 PolarHBondContact NH2-SG 3.41Å; R43-C140 VanDerWaalsContact NH2-SG 3.4Å
44L95.5Very high93.8Very high0 Ų063.2 Ų63.20%028%0.277CS..Hα-helixtrans-60.5-43.6174.5-69171.6000111.5A36 L40 T41 K46 L47 A48 I78 C104 V106 C140 V144A36-L44 HydrophobicContact CB-CD1 4.11Å; L40-L44 HydrophobicContact CD1-CD1 4.43Å; L40-L44 HydrophobicContact CD1-CG 4.18Å; L40-L44 HydrophobicContact CG-CD1 3.94Å; L40-L44 HydrophobicContact CG-CG 4.19Å; L40-L44 WeakPolarHBondContact O-CG 3.31Å; L40-L44 PolarHBondContact O-N 3.08Å; T41-L44 PolarHBondContact O-N 3.16Å; L44-K46 PolarHBondContact O-N 3.13Å; L44-L47 WeakPolarHBondContact O-CB 3.5Å; L44-L47 PolarHBondContact O-N 2.98Å; L44-L47 VanDerWaalsContact O-N 3.15Å; L44-A48 WeakPolarHBondContact O-CB 3.08Å; L44-A48 PolarHBondContact O-N 3.4Å; L44-I78 HydrophobicContact CB-CD1 4.06Å; L44-I78 HydrophobicContact CD2-CD1 4.01Å; L44-I78 HydrophobicContact CD2-CG1 4.26Å; L44-I78 HydrophobicContact CG-CD1 4.49Å; L44-C104 WeakPolarHBondContact CD1-SG 3.2Å; L44-V106 HydrophobicContact CD1-CG1 4.11Å; L44-C140 HydrophobicContact CD2-CB 4.11Å; L44-V144 HydrophobicContact CD2-CG2 4.17Å
45Y94.9Very high93.7Very high35 Ų3571.9 Ų71.914%0.13731%0.314CS..Hα-helixtrans-61.2-41.5174.7-69.9-7.9000112.7T41 R49 V106 D111 L112 C115T41-Y45 HydrophobicContact CG2-CD1 4.42Å; T41-Y45 HydrophobicContact CG2-CD2 4.15Å; T41-Y45 HydrophobicContact CG2-CE1 3.84Å; T41-Y45 HydrophobicContact CG2-CE2 3.55Å; T41-Y45 VanDerWaalsContact O-CG 3.28Å; T41-Y45 PolarHBondContact O-N 3.29Å; Y45-R49 WeakPolarHBondContact O-CB 3.33Å; Y45-R49 PolarHBondContact O-N 3.45Å; Y45-V106 HydrophobicContact CE1-CB 4.13Å; Y45-V106 HydrophobicContact CE1-CG1 4.14Å; Y45-V106 HydrophobicContact CE1-CG2 4.17Å; Y45-D111 HydrophobicContact CE2-CB 3.75Å; Y45-D111 WeakPolarHBondContact OH-CB 3.41Å; Y45-L112 HydrophobicContact CE1-CB 4.48Å; Y45-L112 HydrophobicContact CE1-CD1 4.42Å; Y45-C115 VanDerWaalsContact CB-SG 3.5Å
46K94.7Very high93.8Very high142 Ų14273.8 Ų73.862%0.61732%0.321SS*.Hα-helixtrans-63.8-41.6173-73.4177.3-178.6-175.10112K42 R43 L44 R49 K50 L136K42-K46 WeakPolarHBondContact O-CG 3.14Å; K42-K46 PolarHBondContact O-N 3.22Å; R43-K46 WeakPolarHBondContact O-CB 3.04Å; R43-K46 PolarHBondContact O-N 2.92Å; L44-K46 PolarHBondContact O-N 3.13Å; K46-R49 PolarHBondContact O-N 3.38Å; K46-K50 PolarHBondContact O-N 3.25Å; K46-K50 VanDerWaalsContact O-N 3.09Å; K46-L136 HydrophobicContact CB-CD2 4.21Å
47L95.6Very high93.8Very high0 Ų074.7 Ų74.70%033%0.326CS..Hα-helixtrans-62.8-49.7177.9178.162.2000110.8R43 L44 R49 K50 A51 I76 I127 Y133 L136 Y137 C140R43-L47 WeakPolarHBondContact O-CB 3.12Å; R43-L47 PolarHBondContact O-N 3.39Å; L44-L47 WeakPolarHBondContact O-CB 3.5Å; L44-L47 PolarHBondContact O-N 2.98Å; L44-L47 VanDerWaalsContact O-N 3.15Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3.07Å; L47-K50 PolarHBondContact O-N 3.34Å; L47-K50 VanDerWaalsContact O-N 3.09Å; L47-A51 WeakPolarHBondContact O-CB 3.45Å; L47-A51 PolarHBondContact O-N 3.07Å; L47-I76 HydrophobicContact CD2-CD1 4.2Å; L47-I127 HydrophobicContact CB-CD1 4.5Å; L47-I127 HydrophobicContact CD1-CG2 4.45Å; L47-I127 HydrophobicContact CD2-CD1 4.14Å; L47-I127 HydrophobicContact CD2-CG2 4.37Å; L47-I127 HydrophobicContact CG-CD1 3.89Å; L47-I127 HydrophobicContact CG-CG2 4.17Å; L47-Y133 HydrophobicContact CD1-CD2 3.31Å; L47-Y133 HydrophobicContact CD1-CE2 3.75Å; L47-Y133 HydrophobicContact CD1-CG 4.02Å; L47-L136 HydrophobicContact CB-CD2 4.01Å; L47-L136 HydrophobicContact CB-CG 4.24Å; L47-L136 HydrophobicContact CD1-CD2 4.33Å; L47-L136 HydrophobicContact CD1-CG 4.25Å; L47-Y137 HydrophobicContact CD1-CD2 4.48Å; L47-Y137 HydrophobicContact CD2-CD2 4.24Å; L47-C140 HydrophobicContact CD2-CB 3.9Å
48A95Very high93.8Very high0 Ų073.9 Ų73.90%032%0.316CS..Hα-helixtrans-55.8-43.9176.500000112L44 K50 A51 K52 C115 V116 I127L44-A48 WeakPolarHBondContact O-CB 3.08Å; L44-A48 PolarHBondContact O-N 3.4Å; A48-K50 PolarHBondContact O-N 3.28Å; A48-A51 PolarHBondContact O-N 2.96Å; A48-K52 WeakPolarHBondContact O-CB 3.46Å; A48-K52 PolarHBondContact O-N 2.86Å; A48-C115 HydrophobicContact CB-CB 4.02Å; A48-V116 HydrophobicContact CB-CG2 3.81Å; A48-I127 HydrophobicContact CB-CD1 3.9Å
49R93.8Very high93.8Very high147 Ų14772.5 Ų72.556%0.55532%0.316SS*.Hα-helixtrans-64-38.6176.2-178.4177.7-88.6172.4-4.8112.9Y45 K46 L47Y45-R49 WeakPolarHBondContact O-CB 3.33Å; Y45-R49 PolarHBondContact O-N 3.45Å; K46-R49 PolarHBondContact O-N 3.38Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3.07Å
50K94.6Very high93.7Very high101 Ų10165.7 Ų65.744%0.43929%0.292SS..Hα-helixtrans-70.7-46.9176.5-73.8-169.4177.7-166.80111.5K46 L47 A48 K52 R53 Y133 L136K46-K50 PolarHBondContact O-N 3.25Å; K46-K50 VanDerWaalsContact O-N 3.09Å; L47-K50 PolarHBondContact O-N 3.34Å; L47-K50 VanDerWaalsContact O-N 3.09Å; A48-K50 PolarHBondContact O-N 3.28Å; K50-K52 VanDerWaalsContact C-N 3.28Å; K50-K52 PolarHBondContact O-N 3.29Å; K50-R53 WeakPolarHBondContact O-CB 3.37Å; K50-R53 PolarHBondContact O-N 2.9Å; K50-R53 VanDerWaalsContact O-N 3.08Å; K50-Y133 HydrophobicContact CB-CD1 4.04Å; K50-Y133 HydrophobicContact CB-CG 4.3Å; K50-L136 HydrophobicContact CD-CD2 4.17Å
51A94.6Very high93.5Very high0 Ų066.8 Ų66.80%030%0.298CS..Hα-helixtrans-62.3-35.7-179.600000112.6L47 A48 R53 V54 K55 K56 T57 I127 Y133L47-A51 WeakPolarHBondContact O-CB 3.45Å; L47-A51 PolarHBondContact O-N 3.07Å; A48-A51 PolarHBondContact O-N 2.96Å; A51-R53 VanDerWaalsContact C-N 3.31Å; A51-R53 PolarHBondContact O-N 3.18Å; A51-V54 VanDerWaalsContact O-CG2 3.24Å; A51-V54 WeakPolarHBondContact O-CG2 3.24Å; A51-V54 PolarHBondContact O-N 2.91Å; A51-K55 PolarHBondContact O-N 2.91Å; A51-K56 PolarHBondContact O-N 2.63Å; A51-T57 VanDerWaalsContact C-CG2 3.44Å; A51-T57 HydrophobicContact CB-CG2 3.21Å; A51-I127 HydrophobicContact CB-CG2 3.63Å; A51-Y133 VanDerWaalsContact CA-CE1 3.44Å; A51-Y133 HydrophobicContact CB-CE1 3.75Å; A51-Y133 HydrophobicContact CB-CE2 4.26Å; A51-Y133 WeakPolarHBondContact CB-OH 3.42Å
52K93Very high93.4Very high80 Ų8075.6 Ų75.635%0.34834%0.336SS..Hα-helixtrans-55.9-44.6172.3-178.7-161.3-179.4155.20112A48 K50 V54 K55 V116A48-K52 WeakPolarHBondContact O-CB 3.46Å; A48-K52 PolarHBondContact O-N 2.86Å; K50-K52 VanDerWaalsContact C-N 3.28Å; K50-K52 PolarHBondContact O-N 3.29Å; K52-V54 PolarHBondContact O-N 3.39Å; K52-K55 PolarHBondContact O-N 3.06Å; K52-K55 VanDerWaalsContact O-N 3.07Å; K52-V116 WeakPolarHBondContact CD-O 3.27Å; K52-V116 WeakPolarHBondContact CE-O 3.18Å; K52-V116 HydrophobicContact CG-CG1 4.46Å; K52-V116 WeakPolarHBondContact CG-O 3.47Å; K52-V116 PolarHBondContact NZ-O 3.34Å
53R92.3Very high93.4Very high203 Ų20371 Ų7177%0.76632%0.322SS*.Hα-helixtrans-61.7-31.4-176.1-68.2177.6177.5-145.6-3.4112.4K50 A51K50-R53 WeakPolarHBondContact O-CB 3.37Å; K50-R53 PolarHBondContact O-N 2.9Å; K50-R53 VanDerWaalsContact O-N 3.08Å; A51-R53 VanDerWaalsContact C-N 3.31Å; A51-R53 PolarHBondContact O-N 3.18Å
54V93.5Very high93.3Very high30 Ų3068 Ų6818%0.18231%0.311CS..THydrogen-bonded Turntrans-97.84.1-179.6-48.20000112.8A51 K52 K56 D130 Q132 Y133A51-V54 VanDerWaalsContact O-CG2 3.24Å; A51-V54 WeakPolarHBondContact O-CG2 3.24Å; A51-V54 PolarHBondContact O-N 2.91Å; K52-V54 PolarHBondContact O-N 3.39Å; V54-K56 VanDerWaalsContact C-N 3.26Å; V54-K56 HydrophobicContact CB-CG 4.43Å; V54-K56 HydrophobicContact CG2-CB 3.6Å; V54-K56 HydrophobicContact CG2-CG 3.52Å; V54-K56 PolarHBondContact O-N 3.08Å; V54-D130 HydrophobicContact CG2-CB 4.48Å; V54-Q132 HydrophobicContact CG1-CB 4.19Å; V54-Q132 HydrophobicContact CG1-CG 4.26Å; V54-Y133 HydrophobicContact CG2-CD1 4.48Å; V54-Y133 HydrophobicContact CG2-CE1 3.58Å
55K91.2Very high93.2Very high190 Ų19069.4 Ų69.483%0.82632%0.318SS*.THydrogen-bonded Turntrans57.135.1-177.3-54.7179.2-179.9178.10113.6A51 K52A51-K55 PolarHBondContact O-N 2.91Å; K52-K55 PolarHBondContact O-N 3.06Å; K52-K55 VanDerWaalsContact O-N 3.07Å
56K92.7Very high93.2Very high89 Ų8973.4 Ų73.439%0.38734%0.336SS..  trans-103.824.7176.7-70.6-77.2-175.2169.30112.6A51 V54 T128 D130 Y133A51-K56 PolarHBondContact O-N 2.63Å; V54-K56 VanDerWaalsContact C-N 3.26Å; V54-K56 HydrophobicContact CB-CG 4.43Å; V54-K56 HydrophobicContact CG2-CB 3.6Å; V54-K56 HydrophobicContact CG2-CG 3.52Å; V54-K56 PolarHBondContact O-N 3.08Å; K56-T128 WeakPolarHBondContact CB-OG1 3.49Å; K56-T128 WeakPolarHBondContact CD-OG1 3.09Å; K56-T128 PolarHBondContact O-N 3.24Å; K56-T128 VanDerWaalsContact O-N 3.08Å; K56-T128 PolarHBondContact O-OG1 3.15Å; K56-D130 WeakPolarHBondContact CE-OD2 3.49Å; K56-D130 HydrophobicContact CG-CB 4.13Å; K56-Y133 WeakPolarHBondContact CB-OH 3.32Å
57T92.9Very high93.1Very high22 Ų2266.7 Ų66.714%0.13531%0.308CS..EExtended strand (participates in β ladder)trans-120.2124.5176.852.90000110A51 F126 I127A51-T57 VanDerWaalsContact C-CG2 3.44Å; A51-T57 HydrophobicContact CB-CG2 3.21Å; T57-F126 CarbonylContact C-O 3.43Å; T57-F126 VanDerWaalsContact CA-O 3.27Å; T57-F126 WeakPolarHBondContact CA-O 3.5Å; T57-I127 HydrophobicContact CG2-CG1 4.24Å
58D93.1Very high93Very high49 Ų4966.8 Ų66.826%0.26231%0.308SS..EExtended strand (participates in β ladder)trans-97.4132.1168.2-70.2-63.7000109.1A63 I64 F126D58-A63 HydrophobicContact CB-CB 4.04Å; D58-I64 HydrophobicContact CB-CG1 4.29Å; D58-F126 HydrophobicContact CB-CB 4.25Å; D58-F126 HydrophobicContact CB-CD1 4.24Å; D58-F126 PolarHBondContact N-O 3.01Å; D58-F126 PolarHBondContact O-N 3.43Å
59V92.2Very high92.9Very high63 Ų6371.4 Ų71.438%0.38233%0.33SS..EExtended strand (participates in β ladder)trans-114.8130.7-177.1174.80000109.3V116 I122V59-V116 HydrophobicContact CG2-CB 4.29Å; V59-V116 HydrophobicContact CG2-CG1 3.32Å; V59-I122 HydrophobicContact CG1-CB 4.38Å; V59-I122 HydrophobicContact CG1-CD1 3.61Å; V59-I122 HydrophobicContact CG1-CG1 3.78Å; V59-I122 HydrophobicContact CG1-CG2 3.67Å; V59-I122 HydrophobicContact CG2-CD1 4.17Å
60G90.1Very high92.7Very high22 Ų2272.2 Ų72.223%0.22734%0.337CS..SBendtrans87.1151.8176.400000113.9K62 A63 I64 I124G60-K62 PolarHBondContact O-N 3.2Å; G60-A63 PolarHBondContact O-N 3.25Å; G60-A63 VanDerWaalsContact O-N 3.15Å; G60-I64 VanDerWaalsContact O-CG1 3.31Å; G60-I64 WeakPolarHBondContact O-CG1 3.42Å; G60-I64 PolarHBondContact O-N 3.39Å; G60-I64 VanDerWaalsContact O-N 3.17Å; G60-I124 PolarHBondContact N-O 3.47Å
61I91.6Very high92.5Very high32 Ų3273.4 Ų73.416%0.16434%0.342CS..Hα-helixtrans-52-51.3-169-64.7148.4000112.9A63 I64 L65 L88 H91 I124I61-A63 VanDerWaalsContact C-N 3.29Å; I61-A63 PolarHBondContact O-N 2.97Å; I61-I64 PolarHBondContact O-N 3.49Å; I61-L65 HydrophobicContact CG2-CD1 3.71Å; I61-L65 HydrophobicContact CG2-CG 4.17Å; I61-L65 WeakPolarHBondContact O-CB 3.49Å; I61-L65 WeakPolarHBondContact O-CG 3.42Å; I61-L65 PolarHBondContact O-N 3.11Å; I61-L88 HydrophobicContact CD1-CD1 3.45Å; I61-L88 VanDerWaalsContact CD1-CD1 3.45Å; I61-L88 HydrophobicContact CD1-CG 3.83Å; I61-L88 WeakPolarHBondContact CD1-O 3.35Å; I61-H91 WeakPolarHBondContact CG2-NE2 3.35Å; I61-I124 HydrophobicContact CG1-CG2 4.11Å
62K91.4Very high92.2Very high189 Ų18978 Ų7882%0.82237%0.374SS*.Hα-helixtrans-60.5-37.2-176-68.2-174.7178.2-179.20113G60 K66G60-K62 PolarHBondContact O-N 3.2Å; K62-K66 VanDerWaalsContact O-CB 3.3Å; K62-K66 WeakPolarHBondContact O-CB 3.38Å; K62-K66 PolarHBondContact O-N 2.9Å
63A93.2Very high92.2Very high33 Ų3376.5 Ų76.527%0.27337%0.372SS..Hα-helixtrans-73-41.3179.900000110.8D58 G60 I61 K66 A67D58-A63 HydrophobicContact CB-CB 4.04Å; G60-A63 PolarHBondContact O-N 3.25Å; G60-A63 VanDerWaalsContact O-N 3.15Å; I61-A63 VanDerWaalsContact C-N 3.29Å; I61-A63 PolarHBondContact O-N 2.97Å; A63-K66 PolarHBondContact O-N 2.9Å; A63-A67 WeakPolarHBondContact O-CB 3.47Å; A63-A67 PolarHBondContact O-N 3.04Å
64I93.8Very high92.1Very high0 Ų070 Ų700%036%0.358CS..Hα-helixtrans-66.7-51.1-179.2-63.3-179.7000111D58 G60 I61 K66 A67 I68 V77 I124 F126D58-I64 HydrophobicContact CB-CG1 4.29Å; G60-I64 VanDerWaalsContact O-CG1 3.31Å; G60-I64 WeakPolarHBondContact O-CG1 3.42Å; G60-I64 PolarHBondContact O-N 3.39Å; G60-I64 VanDerWaalsContact O-N 3.17Å; I61-I64 PolarHBondContact O-N 3.49Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 2.83Å; I64-A67 WeakPolarHBondContact O-CA 3.29Å; I64-A67 WeakPolarHBondContact O-CB 3.46Å; I64-A67 PolarHBondContact O-N 3.21Å; I64-I68 HydrophobicContact CG2-CD1 3.64Å; I64-I68 HydrophobicContact CG2-CG1 4.33Å; I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 2.82Å; I64-V77 HydrophobicContact CG2-CG2 4.35Å; I64-I124 HydrophobicContact CD1-CB 4Å; I64-I124 HydrophobicContact CD1-CD1 3.67Å; I64-I124 HydrophobicContact CD1-CG1 3.45Å; I64-I124 VanDerWaalsContact CD1-CG1 3.45Å; I64-I124 HydrophobicContact CD1-CG2 3.64Å; I64-I124 HydrophobicContact CG2-CD1 4.46Å; I64-F126 HydrophobicContact CB-CB 4.26Å; I64-F126 HydrophobicContact CD1-CB 3.83Å; I64-F126 HydrophobicContact CG1-CB 3.55Å; I64-F126 HydrophobicContact CG2-CB 4Å; I64-F126 HydrophobicContact CG2-CG 4.45Å
65L93.6Very high92.1Very high31 Ų3168.6 Ų68.616%0.16235%0.349CS..Hα-helixtrans-57.1-42.5175.8-68.8179.4000111.4I61 A67 I68 E69 V95I61-L65 HydrophobicContact CG2-CD1 3.71Å; I61-L65 HydrophobicContact CG2-CG 4.17Å; I61-L65 WeakPolarHBondContact O-CB 3.49Å; I61-L65 WeakPolarHBondContact O-CG 3.42Å; I61-L65 PolarHBondContact O-N 3.11Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 3.36Å; L65-I68 PolarHBondContact O-N 3.03Å; L65-E69 WeakPolarHBondContact O-CB 3.26Å; L65-E69 WeakPolarHBondContact O-CG 3.22Å; L65-E69 PolarHBondContact O-N 3.43Å; L65-V95 HydrophobicContact CD2-CB 4.15Å; L65-V95 HydrophobicContact CD2-CG1 3.9Å; L65-V95 HydrophobicContact CD2-CG2 3.92Å
66K94Very high92.3Very high118 Ų11859.6 Ų59.651%0.51331%0.31SS..Iπ-helixtrans-62.9-35.8174.8-177.4172.5-178.4-178.20112.8K62 A63 I64 K70 K71K62-K66 VanDerWaalsContact O-CB 3.3Å; K62-K66 WeakPolarHBondContact O-CB 3.38Å; K62-K66 PolarHBondContact O-N 2.9Å; A63-K66 PolarHBondContact O-N 2.9Å; I64-K66 VanDerWaalsContact C-N 3.27Å; I64-K66 PolarHBondContact O-N 2.83Å; K66-K70 HydrophobicContact CG-CB 4.42Å; K66-K70 HydrophobicContact CG-CD 4.2Å; K66-K70 HydrophobicContact CG-CG 4.47Å; K66-K70 WeakPolarHBondContact O-CB 3.48Å; K66-K70 PolarHBondContact O-N 2.89Å; K66-K71 PolarHBondContact O-N 3.05Å
67A93.9Very high92.5Very high2 Ų255.3 Ų55.32%0.01729%0.291CS..Iπ-helixtrans-71.5-41.5178.200000111.9A63 I64 L65 K71 S72 V73 F126A63-A67 WeakPolarHBondContact O-CB 3.47Å; A63-A67 PolarHBondContact O-N 3.04Å; I64-A67 WeakPolarHBondContact O-CA 3.29Å; I64-A67 WeakPolarHBondContact O-CB 3.46Å; I64-A67 PolarHBondContact O-N 3.21Å; L65-A67 VanDerWaalsContact C-N 3.31Å; L65-A67 PolarHBondContact O-N 3.36Å; A67-K71 WeakPolarHBondContact O-CB 3.44Å; A67-S72 PolarHBondContact O-N 3.15Å; A67-V73 PolarHBondContact O-N 3.19Å; A67-V73 VanDerWaalsContact O-N 3.1Å; A67-F126 HydrophobicContact CB-CD1 3.95Å; A67-F126 HydrophobicContact CB-CE1 3.74Å
68I93.6Very high92.6Very high1 Ų154.3 Ų54.31%0.00529%0.285CS..Iπ-helixtrans-74-61.6-179.2-63175.6000110.4I64 L65 S72 V77 V95 H99 I101 F126I64-I68 HydrophobicContact CG2-CD1 3.64Å; I64-I68 HydrophobicContact CG2-CG1 4.33Å; I64-I68 WeakPolarHBondContact O-CG1 3.42Å; I64-I68 PolarHBondContact O-N 2.82Å; L65-I68 PolarHBondContact O-N 3.03Å; I68-S72 WeakPolarHBondContact O-CA 3.19Å; I68-S72 PolarHBondContact O-N 3.3Å; I68-S72 VanDerWaalsContact O-N 3.14Å; I68-V77 HydrophobicContact CD1-CG2 4.07Å; I68-V95 HydrophobicContact CB-CG1 4.5Å; I68-V95 HydrophobicContact CG2-CG1 3.84Å; I68-H99 HydrophobicContact CG2-CB 3.87Å; I68-H99 WeakPolarHBondContact CG2-CD2 3.5Å; I68-I101 HydrophobicContact CB-CD1 4.06Å; I68-I101 HydrophobicContact CD1-CD1 3.93Å; I68-I101 HydrophobicContact CG1-CD1 3.57Å; I68-I101 HydrophobicContact CG2-CD1 3.55Å; I68-F126 HydrophobicContact CG1-CE2 4.24Å; I68-F126 HydrophobicContact CG1-CZ 4.49Å
69E91.8Very high92.8Very high98 Ų9852 Ų5246%0.45827%0.272SS..Iπ-helixtrans-74.7-43-170.6-59.5174.311000112.5L65 V95L65-E69 WeakPolarHBondContact O-CB 3.26Å; L65-E69 WeakPolarHBondContact O-CG 3.22Å; L65-E69 PolarHBondContact O-N 3.43Å; E69-V95 HydrophobicContact CG-CG1 4.1Å
70K90Very high92.9Very high163 Ų16349 Ų4971%0.70925%0.254SS*.Iπ-helixtrans-91.8-33.2-171.8-55.4-163.9-178.3-173.90114.3K66K66-K70 HydrophobicContact CG-CB 4.42Å; K66-K70 HydrophobicContact CG-CD 4.2Å; K66-K70 HydrophobicContact CG-CG 4.47Å; K66-K70 WeakPolarHBondContact O-CB 3.48Å; K66-K70 PolarHBondContact O-N 2.89Å
71K89.8Confident93Very high126 Ų12647.9 Ų47.955%0.54824%0.244SC..THydrogen-bonded Turntrans-102.2-8.9-178.5-56.7-179.2-176.2170.80112.4K66 A67 V73K66-K71 PolarHBondContact O-N 3.05Å; A67-K71 WeakPolarHBondContact O-CB 3.44Å; K71-V73 HydrophobicContact CB-CG2 3.57Å; K71-V73 HydrophobicContact CD-CG2 4.37Å; K71-V73 PolarHBondContact O-N 2.81Å; K71-V73 VanDerWaalsContact O-N 3.16Å
72S89.6Confident93.1Very high97 Ų9747.7 Ų47.768%0.67824%0.243SC*.  trans49.339.9-176.3-52.60000112.1A67 I68A67-S72 PolarHBondContact O-N 3.15Å; I68-S72 WeakPolarHBondContact O-CA 3.19Å; I68-S72 PolarHBondContact O-N 3.3Å; I68-S72 VanDerWaalsContact O-N 3.14Å
73V91Very high93.2Very high49 Ų4939.3 Ų39.330%0.29721%0.207SC..  trans-84.6125.6-179.4178.60000108.4A67 K71 F126 T128A67-V73 PolarHBondContact O-N 3.19Å; A67-V73 VanDerWaalsContact O-N 3.1Å; K71-V73 HydrophobicContact CB-CG2 3.57Å; K71-V73 HydrophobicContact CD-CG2 4.37Å; K71-V73 PolarHBondContact O-N 2.81Å; K71-V73 VanDerWaalsContact O-N 3.16Å; V73-F126 HydrophobicContact CB-CE1 4.41Å; V73-F126 HydrophobicContact CB-CZ 4.4Å; V73-F126 HydrophobicContact CG1-CE1 4.07Å; V73-F126 HydrophobicContact CG1-CZ 4.11Å; V73-F126 WeakPolarHBondContact O-CZ 3.31Å; V73-T128 HydrophobicContact CG1-CG2 3.47Å; V73-T128 VanDerWaalsContact CG1-CG2 3.47Å
74S91.2Very high92.9Very high67 Ų6743.1 Ų43.147%0.46923%0.231SC..  trans-78.6147.7170.4179.20000111
75G94Very high92.8Very high0 Ų046.8 Ų46.80%026%0.255CS..EExtended strand (participates in β ladder)trans-169.6-164.8-175.100000112F126 I127 Y137G75-F126 VanDerWaalsContact CA-CE2 3.46Å; G75-I127 CarbonylContact C-O 3.58Å; G75-I127 WeakPolarHBondContact CA-O 2.82Å; G75-Y137 VanDerWaalsContact C-OH 3.25Å; G75-Y137 WeakPolarHBondContact CA-OH 2.99Å
76I95.5Very high92.5Very high0 Ų049 Ų490%026%0.264CS..EExtended strand (participates in β ladder)trans-120.3131.9168.2-57.4168.3000107.5L47 I78 P102 F126 I127 Y137 C140 Y141 V144L47-I76 HydrophobicContact CD2-CD1 4.2Å; I76-I78 HydrophobicContact CG2-CG1 4.4Å; I76-P102 HydrophobicContact CG1-CG 4.43Å; I76-F126 WeakPolarHBondContact O-CA 3.48Å; I76-I127 PolarHBondContact N-O 2.72Å; I76-I127 PolarHBondContact O-N 3.28Å; I76-Y137 HydrophobicContact CD1-CD2 3.96Å; I76-Y137 HydrophobicContact CD1-CE2 3.71Å; I76-Y137 HydrophobicContact CG1-CE2 3.78Å; I76-C140 HydrophobicContact CD1-CB 4.06Å; I76-Y141 HydrophobicContact CD1-CD2 4.23Å; I76-Y141 HydrophobicContact CG1-CD2 3.76Å; I76-Y141 HydrophobicContact CG1-CG 4.48Å; I76-V144 HydrophobicContact CG2-CG1 4.34Å; I76-V144 HydrophobicContact CG2-CG2 4.2Å
77V95.9Very high92.4Very high0 Ų049.2 Ų49.20%027%0.27CS..EExtended strand (participates in β ladder)trans-98.6129172.9174.60000110.1I64 I68 L79 V92 I101 P102 Y103 C104 I124 F126I64-V77 HydrophobicContact CG2-CG2 4.35Å; I68-V77 HydrophobicContact CD1-CG2 4.07Å; V77-L79 HydrophobicContact CG1-CD1 3.98Å; V77-L79 HydrophobicContact CG1-CG 3.99Å; V77-V92 HydrophobicContact CG1-CG1 4.24Å; V77-I101 HydrophobicContact CG2-CG2 4.03Å; V77-P102 PolarHBondContact N-O 3.32Å; V77-Y103 CarbonylContact O-C 3.59Å; V77-Y103 WeakPolarHBondContact O-CA 3.37Å; V77-C104 PolarHBondContact O-N 3.34Å; V77-I124 HydrophobicContact CG1-CD1 3.79Å; V77-I124 HydrophobicContact CG1-CG1 3.97Å; V77-F126 HydrophobicContact CG2-CD2 3.62Å; V77-F126 HydrophobicContact CG2-CE2 4.32Å
78I96.1Very high92.3Very high0 Ų052.7 Ų52.70%029%0.288CS..EExtended strand (participates in β ladder)trans-116.4117.3176.7-54167.1000107.7L44 I76 V106 L112 I124 V125 I127L44-I78 HydrophobicContact CB-CD1 4.06Å; L44-I78 HydrophobicContact CD2-CD1 4.01Å; L44-I78 HydrophobicContact CD2-CG1 4.26Å; L44-I78 HydrophobicContact CG-CD1 4.49Å; I76-I78 HydrophobicContact CG2-CG1 4.4Å; I78-V106 HydrophobicContact CG2-CB 4.33Å; I78-V106 HydrophobicContact CG2-CG1 3.62Å; I78-V106 HydrophobicContact CG2-CG2 3.77Å; I78-L112 HydrophobicContact CB-CD1 4.4Å; I78-L112 HydrophobicContact CG2-CD1 3.84Å; I78-L112 HydrophobicContact CG2-CD2 4.04Å; I78-I124 CarbonylContact O-C 3.44Å; I78-I124 WeakPolarHBondContact O-CA 3.3Å; I78-V125 PolarHBondContact N-O 3.18Å; I78-V125 PolarHBondContact O-N 3.12Å; I78-I127 HydrophobicContact CD1-CD1 3.65Å; I78-I127 HydrophobicContact CD1-CG1 4.35Å
79L95.7Very high92.2Very high0 Ų052.6 Ų52.60%029%0.288CS..EExtended strand (participates in β ladder)trans-107.3146.7179.5-63.7129.2000109.9V77 I89 V92 P93 Y103 C104 Y105 V106 P123 I124V77-L79 HydrophobicContact CG1-CD1 3.98Å; V77-L79 HydrophobicContact CG1-CG 3.99Å; L79-I89 HydrophobicContact CB-CD1 4.4Å; L79-I89 HydrophobicContact CD2-CB 3.92Å; L79-I89 HydrophobicContact CD2-CD1 3.97Å; L79-I89 HydrophobicContact CD2-CG1 4.45Å; L79-I89 HydrophobicContact CD2-CG2 4.36Å; L79-V92 HydrophobicContact CD2-CB 4.27Å; L79-P93 HydrophobicContact CD1-CG 4.28Å; L79-Y103 HydrophobicContact CD1-CD2 3.64Å; L79-Y103 HydrophobicContact CD1-CG 4.23Å; L79-C104 PolarHBondContact N-O 3.32Å; L79-Y105 HydrophobicContact CB-CD1 3.61Å; L79-Y105 HydrophobicContact CB-CE1 3.62Å; L79-Y105 HydrophobicContact CB-CG 4.22Å; L79-Y105 HydrophobicContact CD1-CE1 4.33Å; L79-Y105 HydrophobicContact CD1-CE2 4.26Å; L79-Y105 HydrophobicContact CG-CE1 4.39Å; L79-Y105 CarbonylContact O-C 3.56Å; L79-Y105 WeakPolarHBondContact O-CA 3.41Å; L79-V106 WeakPolarHBondContact O-CG2 3.43Å; L79-V106 PolarHBondContact O-N 2.95Å; L79-P123 CarbonylContact C-O 3.49Å; L79-I124 HydrophobicContact CD2-CD1 3.57Å; L79-I124 HydrophobicContact CD2-CG1 3.93Å; L79-I124 HydrophobicContact CG-CD1 4.16Å; L79-I124 HydrophobicContact CG-CG1 4.14Å
80A94.5Very high92.2Very high0 Ų050.1 Ų50.10%028%0.282CS..EExtended strand (participates in β ladder)trans-85.5143170.500000111I83 V106 K109 P123A80-I83 HydrophobicContact CB-CD1 3.71Å; A80-I83 HydrophobicContact CB-CG1 3.86Å; A80-I83 WeakPolarHBondContact O-CG1 3.37Å; A80-V106 CarbonylContact C-O 3.52Å; A80-V106 VanDerWaalsContact CA-O 3.31Å; A80-V106 WeakPolarHBondContact CA-O 3.44Å; A80-K109 HydrophobicContact CB-CB 3.64Å; A80-P123 PolarHBondContact N-O 2.79Å
81G93.8Very high92.3Very high0 Ų045.5 Ų45.50%026%0.262CS..SBendtrans-87.9-19.2179.200000113.8V28 G29 I83 V106V28-G81 WeakPolarHBondContact CA-O 3.39Å; G29-G81 PolarHBondContact N-O 3.48Å; G81-I83 VanDerWaalsContact C-N 3.28Å; G81-I83 PolarHBondContact O-N 3.08Å; G81-V106 PolarHBondContact N-O 3.48Å
82D93.7Very high92.5Very high28 Ų2839.5 Ų39.515%0.1524%0.236CC..SBendtrans-92.329.5179.972.5-32.8000112.9P107 K109D82-P107 WeakPolarHBondContact CB-O 3.44Å; D82-K109 VanDerWaalsContact CG-NZ 3.3Å; D82-K109 PolarHBondContact O-NZ 3.44Å; D82-K109 WeakPolarHBondContact OD1-CB 3.29Å; D82-K109 WeakPolarHBondContact OD1-CG 3.32Å; D82-K109 PolarHBondContact OD1-N 3.1Å; D82-K109 IonicContact OD1-NZ 3.59Å; D82-K109 WeakPolarHBondContact OD2-CG 3.44Å; D82-K109 IonicContact OD2-NZ 3.66Å; D82-K109 PolarHBondContact OD2-NZ 2.98Å
83I91.8Very high92.7Very high12 Ų1235.5 Ų35.56%0.06221%0.208CC..  trans-81.9128.7-179.7-60.3-46000111A80 G81 P85 L88 I89 K109 P123A80-I83 HydrophobicContact CB-CD1 3.71Å; A80-I83 HydrophobicContact CB-CG1 3.86Å; A80-I83 WeakPolarHBondContact O-CG1 3.37Å; G81-I83 VanDerWaalsContact C-N 3.28Å; G81-I83 PolarHBondContact O-N 3.08Å; I83-P85 WeakPolarHBondContact CG2-O 3.41Å; I83-L88 HydrophobicContact CG2-CB 4.09Å; I83-L88 HydrophobicContact CG2-CD2 4.1Å; I83-I89 HydrophobicContact CB-CD1 4.11Å; I83-I89 HydrophobicContact CG1-CD1 3.97Å; I83-I89 HydrophobicContact CG2-CD1 4.44Å; I83-I89 HydrophobicContact CG2-CG1 4.33Å; I83-I89 HydrophobicContact CG2-CG2 4.47Å; I83-K109 HydrophobicContact CD1-CB 3.77Å; I83-K109 HydrophobicContact CD1-CD 3.68Å; I83-K109 HydrophobicContact CD1-CG 4.29Å; I83-P123 HydrophobicContact CD1-CB 3.44Å; I83-P123 VanDerWaalsContact CD1-CB 3.44Å; I83-P123 HydrophobicContact CG1-CB 3.89Å
84S88.2Confident92.7Very high113 Ų11337.9 Ų37.979%0.7922%0.218SC*.SBendtrans-139.7123.5171.9-178.20000108.3
85P91.1Very high92.8Very high78 Ų7835.3 Ų35.351%0.50620%0.2SC..SBendcis-75.8147.6-032-35000112.9I83 D87 L88I83-P85 WeakPolarHBondContact CG2-O 3.41Å; P85-D87 PolarHBondContact O-N 3.35Å; P85-L88 VanDerWaalsContact O-CB 3.29Å; P85-L88 WeakPolarHBondContact O-CB 3.46Å; P85-L88 PolarHBondContact O-N 3.09Å
86F87.8Confident92.8Very high77 Ų7735.3 Ų35.334%0.33820%0.2SC..G310 helixtrans-58.1-32.6177.5166.4-114.1000112.8F31 L88 I89 S90F31-F86 HydrophobicContact CB-CD2 4.01Å; F31-F86 HydrophobicContact CB-CE2 3.67Å; F31-F86 HydrophobicContact CB-CZ 4.06Å; F31-F86 HydrophobicContact CD1-CB 4.04Å; F31-F86 AromaticContact CD1-CD2 3.41Å; F31-F86 HydrophobicContact CD1-CD2 3.41Å; F31-F86 VanDerWaalsContact CD1-CD2 3.41Å; F31-F86 HydrophobicContact CD1-CE2 4Å; F31-F86 AromaticContact CD1-CG 3.78Å; F31-F86 HydrophobicContact CD1-CG 3.78Å; F31-F86 AromaticContact CD2-CD2 3.35Å; F31-F86 HydrophobicContact CD2-CD2 3.35Å; F31-F86 AromaticContact CD2-CE2 3.38Å; F31-F86 HydrophobicContact CD2-CE2 3.38Å; F31-F86 HydrophobicContact CD2-CG 4.48Å; F31-F86 HydrophobicContact CE1-CB 3.78Å; F31-F86 AromaticContact CE1-CD2 3.59Å; F31-F86 HydrophobicContact CE1-CD2 3.59Å; F31-F86 AromaticContact CE1-CG 3.95Å; F31-F86 HydrophobicContact CE1-CG 3.95Å; F31-F86 AromaticContact CE2-CD2 3.57Å; F31-F86 HydrophobicContact CE2-CD2 3.57Å; F31-F86 HydrophobicContact CE2-CE2 4Å; F31-F86 AromaticContact CG-CD2 3.29Å; F31-F86 HydrophobicContact CG-CD2 3.29Å; F31-F86 AromaticContact CG-CE2 3.4Å; F31-F86 HydrophobicContact CG-CE2 3.4Å; F31-F86 HydrophobicContact CG-CG 4.07Å; F31-F86 HydrophobicContact CG-CZ 4.24Å; F31-F86 HydrophobicContact CZ-CB 4.32Å; F31-F86 AromaticContact CZ-CD2 3.69Å; F31-F86 HydrophobicContact CZ-CD2 3.69Å; F31-F86 HydrophobicContact CZ-CG 4.41Å; F86-L88 PolarHBondContact O-N 3.05Å; F86-I89 HydrophobicContact CD2-CG1 4.35Å; F86-I89 PolarHBondContact O-N 3.06Å; F86-S90 VanDerWaalsContact CE1-CB 3.44Å; F86-S90 PolarHBondContact O-N 3.34Å; F86-S90 VanDerWaalsContact O-N 3.16Å
87D91.8Very high92.6Very high122 Ų12239.5 Ų39.565%0.65222%0.219SC*.G310 helixtrans-53.1-21.3178.3-56.7-70.6000113.6P85 I89 S90P85-D87 PolarHBondContact O-N 3.35Å; D87-I89 VanDerWaalsContact C-N 3.3Å; D87-I89 PolarHBondContact O-N 2.84Å; D87-S90 PolarHBondContact O-OG 3.09Å
88L91.6Very high92.4Very high75 Ų7546 Ų4639%0.39325%0.25SC..G310 helixtrans-60.7-37.8176.1-174.960.3000112.6I61 I83 P85 F86 H91 P123I61-L88 HydrophobicContact CD1-CD1 3.45Å; I61-L88 VanDerWaalsContact CD1-CD1 3.45Å; I61-L88 HydrophobicContact CD1-CG 3.83Å; I61-L88 WeakPolarHBondContact CD1-O 3.35Å; I83-L88 HydrophobicContact CG2-CB 4.09Å; I83-L88 HydrophobicContact CG2-CD2 4.1Å; P85-L88 VanDerWaalsContact O-CB 3.29Å; P85-L88 WeakPolarHBondContact O-CB 3.46Å; P85-L88 PolarHBondContact O-N 3.09Å; F86-L88 PolarHBondContact O-N 3.05Å; L88-H91 PolarHBondContact O-CE1 2.89Å; L88-H91 VanDerWaalsContact O-CE1 3.31Å; L88-P123 HydrophobicContact CD2-CB 4.37Å; L88-P123 HydrophobicContact CD2-CG 4.22Å
89I91.9Very high92.2Very high0 Ų049.7 Ų49.70%027%0.267CS..THydrogen-bonded Turntrans-120.1-4-174.162.3169.1000113.7F31 L79 I83 F86 D87 H91 V92 P93 Y105 P123F31-I89 HydrophobicContact CE2-CD1 4.06Å; L79-I89 HydrophobicContact CB-CD1 4.4Å; L79-I89 HydrophobicContact CD2-CB 3.92Å; L79-I89 HydrophobicContact CD2-CD1 3.97Å; L79-I89 HydrophobicContact CD2-CG1 4.45Å; L79-I89 HydrophobicContact CD2-CG2 4.36Å; I83-I89 HydrophobicContact CB-CD1 4.11Å; I83-I89 HydrophobicContact CG1-CD1 3.97Å; I83-I89 HydrophobicContact CG2-CD1 4.44Å; I83-I89 HydrophobicContact CG2-CG1 4.33Å; I83-I89 HydrophobicContact CG2-CG2 4.47Å; F86-I89 HydrophobicContact CD2-CG1 4.35Å; F86-I89 PolarHBondContact O-N 3.06Å; D87-I89 VanDerWaalsContact C-N 3.3Å; D87-I89 PolarHBondContact O-N 2.84Å; I89-H91 PolarHBondContact O-N 2.81Å; I89-H91 VanDerWaalsContact O-N 3.08Å; I89-V92 PolarHBondContact O-N 3.46Å; I89-P93 WeakPolarHBondContact O-CD 3.36Å; I89-Y105 HydrophobicContact CD1-CE1 3.87Å; I89-P123 HydrophobicContact CG2-CB 4.23Å
90S91.9Very high92Very high46 Ų4656.5 Ų56.532%0.32230%0.303SS..THydrogen-bonded Turntrans-54.1-32.2-172.459.20000114.7F86 D87F86-S90 VanDerWaalsContact CE1-CB 3.44Å; F86-S90 PolarHBondContact O-N 3.34Å; F86-S90 VanDerWaalsContact O-N 3.16Å; D87-S90 PolarHBondContact O-OG 3.09Å
91H91.8Very high91.9Very high66 Ų6657 Ų5731%0.30631%0.306SS..Hα-helixtrans-81.8-19.2-179.261.9-79.4000113.7I61 L88 I89 V95I61-H91 WeakPolarHBondContact CG2-NE2 3.35Å; L88-H91 PolarHBondContact O-CE1 2.89Å; L88-H91 VanDerWaalsContact O-CE1 3.31Å; I89-H91 PolarHBondContact O-N 2.81Å; I89-H91 VanDerWaalsContact O-N 3.08Å; H91-V95 WeakPolarHBondContact O-CG2 3.31Å; H91-V95 PolarHBondContact O-N 2.73Å
92V93.3Very high91.9Very high0 Ų057.4 Ų57.40%031%0.309CS..Hα-helixtrans-73.5-44.8-172.8-174.70000113.1V77 L79 I89 L94 V95 C96 I124V77-V92 HydrophobicContact CG1-CG1 4.24Å; L79-V92 HydrophobicContact CD2-CB 4.27Å; I89-V92 PolarHBondContact O-N 3.46Å; V92-L94 PolarHBondContact O-N 2.94Å; V92-V95 PolarHBondContact O-N 2.76Å; V92-V95 VanDerWaalsContact O-N 3.14Å; V92-C96 PolarHBondContact O-N 3.25Å; V92-C96 PolarHBondContact O-SG 3.37Å; V92-I124 HydrophobicContact CB-CD1 3.88Å; V92-I124 HydrophobicContact CG1-CD1 3.41Å; V92-I124 VanDerWaalsContact CG1-CD1 3.41Å; V92-I124 HydrophobicContact CG2-CD1 3.82Å
93P93.1Very high91.9Very high13 Ų1356.4 Ų56.48%0.08430%0.303CS..Hα-helixtrans-53.3-41.9173.8-27.635.4000112.9L79 I89 V95 C96 E97 Y103 Y105L79-P93 HydrophobicContact CD1-CG 4.28Å; I89-P93 WeakPolarHBondContact O-CD 3.36Å; P93-V95 PolarHBondContact O-N 2.87Å; P93-C96 WeakPolarHBondContact O-CB 3.39Å; P93-C96 PolarHBondContact O-N 3.09Å; P93-C96 VanDerWaalsContact O-N 3.13Å; P93-E97 WeakPolarHBondContact O-CG 3.46Å; P93-E97 PolarHBondContact O-N 3.12Å; P93-Y103 HydrophobicContact CB-CD2 4.42Å; P93-Y103 HydrophobicContact CB-CE1 4.41Å; P93-Y103 HydrophobicContact CB-CE2 3.93Å; P93-Y103 HydrophobicContact CG-CE2 4.37Å; P93-Y105 VanDerWaalsContact CG-OH 3.26Å; P93-Y105 WeakPolarHBondContact CG-OH 3.25Å
94L91.9Very high92.1Very high98 Ų9855.9 Ų55.951%0.51330%0.3SS..Hα-helixtrans-59.9-47176.8-178.263.6000111.9V92 C96 E97 E98V92-L94 PolarHBondContact O-N 2.94Å; L94-C96 VanDerWaalsContact C-N 3.27Å; L94-C96 PolarHBondContact O-N 2.8Å; L94-E97 PolarHBondContact O-N 2.82Å; L94-E98 PolarHBondContact O-N 2.84Å
95V93.6Very high92.4Very high14 Ų1450.8 Ų50.89%0.08526%0.263CS..Hα-helixtrans-64.4-33.5176.6174.20000111.6L65 I68 E69 H91 V92 P93 H99L65-V95 HydrophobicContact CD2-CB 4.15Å; L65-V95 HydrophobicContact CD2-CG1 3.9Å; L65-V95 HydrophobicContact CD2-CG2 3.92Å; I68-V95 HydrophobicContact CB-CG1 4.5Å; I68-V95 HydrophobicContact CG2-CG1 3.84Å; E69-V95 HydrophobicContact CG-CG1 4.1Å; H91-V95 WeakPolarHBondContact O-CG2 3.31Å; H91-V95 PolarHBondContact O-N 2.73Å; V92-V95 PolarHBondContact O-N 2.76Å; V92-V95 VanDerWaalsContact O-N 3.14Å; P93-V95 PolarHBondContact O-N 2.87Å; V95-H99 PolarHBondContact O-CD2 2.86Å; V95-H99 VanDerWaalsContact O-CD2 3.28Å; V95-H99 PolarHBondContact O-N 3.4Å
96C92.9Very high92.6Very high0 Ų047 Ų470%024%0.239CC..Hα-helixtrans-65.8-41.4174.4-66.20000111.8V92 P93 L94 H99 D100 I101 Y103V92-C96 PolarHBondContact O-N 3.25Å; V92-C96 PolarHBondContact O-SG 3.37Å; P93-C96 WeakPolarHBondContact O-CB 3.39Å; P93-C96 PolarHBondContact O-N 3.09Å; P93-C96 VanDerWaalsContact O-N 3.13Å; L94-C96 VanDerWaalsContact C-N 3.27Å; L94-C96 PolarHBondContact O-N 2.8Å; C96-H99 PolarHBondContact O-N 3.01Å; C96-D100 PolarHBondContact O-N 3.11Å; C96-D100 VanDerWaalsContact O-N 3.16Å; C96-I101 HydrophobicContact CB-CB 4.36Å; C96-I101 WeakPolarHBondContact CB-O 3.21Å; C96-I101 PolarHBondContact O-N 3.06Å; C96-Y103 HydrophobicContact CB-CD1 3.7Å; C96-Y103 HydrophobicContact CB-CE1 4.46Å; C96-Y103 HydrophobicContact CB-CG 4.28Å
97E91.2Very high92.9Very high87 Ų8743.4 Ų43.441%0.40722%0.224SC..Hα-helixtrans-65.8-42.5176.9-71172.7-162.500111.9P93 L94 H99 D100 Y103P93-E97 WeakPolarHBondContact O-CG 3.46Å; P93-E97 PolarHBondContact O-N 3.12Å; L94-E97 PolarHBondContact O-N 2.82Å; E97-H99 PolarHBondContact O-N 3.31Å; E97-D100 PolarHBondContact O-N 3.18Å; E97-Y103 HydrophobicContact CG-CE1 4.11Å; E97-Y103 PolarHBondContact OE1-OH 3.42Å
98E92.5Very high92.9Very high136 Ų13637.8 Ų37.864%0.63619%0.194SC*.Hα-helixtrans-63.3-23.3177.6-72.3-176.7151.500113.8L94L94-E98 PolarHBondContact O-N 2.84Å
99H92.2Very high93Very high78 Ų7836.6 Ų36.636%0.36119%0.185SC..THydrogen-bonded Turntrans-112.310.8-176.9-72.6-62.9000114.3I68 V95 C96 E97 I101I68-H99 HydrophobicContact CG2-CB 3.87Å; I68-H99 WeakPolarHBondContact CG2-CD2 3.5Å; V95-H99 PolarHBondContact O-CD2 2.86Å; V95-H99 VanDerWaalsContact O-CD2 3.28Å; V95-H99 PolarHBondContact O-N 3.4Å; C96-H99 PolarHBondContact O-N 3.01Å; E97-H99 PolarHBondContact O-N 3.31Å; H99-I101 VanDerWaalsContact C-N 3.26Å; H99-I101 HydrophobicContact CB-CD1 4.07Å; H99-I101 HydrophobicContact CB-CG1 4.06Å; H99-I101 PolarHBondContact O-N 2.74Å
100D90.7Very high93Very high143 Ų14341 Ų4177%0.76521%0.205SC*.THydrogen-bonded Turntrans53.340.2-177.5-62.7-60.8000113.1C96 E97C96-D100 PolarHBondContact O-N 3.11Å; C96-D100 VanDerWaalsContact O-N 3.16Å; E97-D100 PolarHBondContact O-N 3.18Å
101I92.7Very high93Very high11 Ų1141.2 Ų41.26%0.05620%0.202CC..  trans-100.9120.8-180-63-178000110I68 V77 C96 H99 Y103 F126I68-I101 HydrophobicContact CB-CD1 4.06Å; I68-I101 HydrophobicContact CD1-CD1 3.93Å; I68-I101 HydrophobicContact CG1-CD1 3.57Å; I68-I101 HydrophobicContact CG2-CD1 3.55Å; V77-I101 HydrophobicContact CG2-CG2 4.03Å; C96-I101 HydrophobicContact CB-CB 4.36Å; C96-I101 WeakPolarHBondContact CB-O 3.21Å; C96-I101 PolarHBondContact O-N 3.06Å; H99-I101 VanDerWaalsContact C-N 3.26Å; H99-I101 HydrophobicContact CB-CD1 4.07Å; H99-I101 HydrophobicContact CB-CG1 4.06Å; H99-I101 PolarHBondContact O-N 2.74Å; I101-Y103 PolarHBondContact O-N 3.3Å; I101-F126 HydrophobicContact CG2-CE2 4.39Å
102P94Very high93Very high9 Ų938.1 Ų38.16%0.05819%0.188CC..  trans-66.8132.6178.726.4-33.9000111.3I76 V77 Y141 V144 D145I76-P102 HydrophobicContact CG1-CG 4.43Å; V77-P102 PolarHBondContact N-O 3.32Å; P102-Y141 HydrophobicContact CG-CD2 3.74Å; P102-Y141 HydrophobicContact CG-CE1 4.24Å; P102-Y141 HydrophobicContact CG-CE2 3.34Å; P102-Y141 HydrophobicContact CG-CG 4.36Å; P102-V144 HydrophobicContact CB-CB 4.37Å; P102-V144 HydrophobicContact CB-CG1 3.82Å; P102-D145 HydrophobicContact CB-CB 4.27Å
103Y94.6Very high93Very high7 Ų738.1 Ų38.13%0.02719%0.188CC..EExtended strand (participates in β ladder)trans-130.6155.4177.274.2-86.3000112.1V77 L79 P93 C96 E97 I101 Y105 V144 L149V77-Y103 CarbonylContact O-C 3.59Å; V77-Y103 WeakPolarHBondContact O-CA 3.37Å; L79-Y103 HydrophobicContact CD1-CD2 3.64Å; L79-Y103 HydrophobicContact CD1-CG 4.23Å; P93-Y103 HydrophobicContact CB-CD2 4.42Å; P93-Y103 HydrophobicContact CB-CE1 4.41Å; P93-Y103 HydrophobicContact CB-CE2 3.93Å; P93-Y103 HydrophobicContact CG-CE2 4.37Å; C96-Y103 HydrophobicContact CB-CD1 3.7Å; C96-Y103 HydrophobicContact CB-CE1 4.46Å; C96-Y103 HydrophobicContact CB-CG 4.28Å; E97-Y103 HydrophobicContact CG-CE1 4.11Å; E97-Y103 PolarHBondContact OE1-OH 3.42Å; I101-Y103 PolarHBondContact O-N 3.3Å; Y103-Y105 HydrophobicContact CD2-CE2 4.24Å; Y103-Y105 AromaticContact CE2-CE2 3.92Å; Y103-Y105 HydrophobicContact CE2-CE2 3.92Å; Y103-V144 VanDerWaalsContact C-CG1 3.49Å; Y103-V144 VanDerWaalsContact O-CG1 3.32Å; Y103-V144 WeakPolarHBondContact O-CG1 3.43Å; Y103-L149 HydrophobicContact CD1-CD2 4.5Å; Y103-L149 HydrophobicContact CE1-CD2 3.64Å
104C95.4Very high93Very high0 Ų040.2 Ų40.20%021%0.207CC..EExtended strand (participates in β ladder)trans-149.5160.517259.50000111.8L44 V77 L79 V144 L147L44-C104 WeakPolarHBondContact CD1-SG 3.2Å; V77-C104 PolarHBondContact O-N 3.34Å; L79-C104 PolarHBondContact N-O 3.32Å; C104-V144 HydrophobicContact CB-CG1 3.93Å; C104-V144 HydrophobicContact CB-CG2 4.32Å; C104-L147 HydrophobicContact CB-CD1 3.72Å
105Y95.4Very high92.9Very high6 Ų636.2 Ų36.22%0.02419%0.187CC..EExtended strand (participates in β ladder)trans-96.2139.6172.2-69.2-94.2000111.6F31 A32 Q33 P34 M35 A36 L79 I89 P93 Y103F31-Y105 AromaticContact CD2-CE1 3.99Å; F31-Y105 HydrophobicContact CD2-CE1 3.99Å; F31-Y105 AromaticContact CE2-CE1 3.97Å; F31-Y105 HydrophobicContact CE2-CE1 3.97Å; A32-Y105 VanDerWaalsContact C-CD2 3.49Å; A32-Y105 HydrophobicContact CB-CD1 3.75Å; A32-Y105 HydrophobicContact CB-CE1 4.35Å; A32-Y105 HydrophobicContact CB-CG 3.83Å; Q33-Y105 VanDerWaalsContact O-CE2 3.22Å; Q33-Y105 WeakPolarHBondContact O-CE2 3.22Å; P34-Y105 PolarHBondContact O-N 2.86Å; M35-Y105 VanDerWaalsContact SD-O 3.34Å; A36-Y105 WeakPolarHBondContact CB-O 3.49Å; A36-Y105 PolarHBondContact N-O 3.15Å; L79-Y105 HydrophobicContact CB-CD1 3.61Å; L79-Y105 HydrophobicContact CB-CE1 3.62Å; L79-Y105 HydrophobicContact CB-CG 4.22Å; L79-Y105 HydrophobicContact CD1-CE1 4.33Å; L79-Y105 HydrophobicContact CD1-CE2 4.26Å; L79-Y105 HydrophobicContact CG-CE1 4.39Å; L79-Y105 CarbonylContact O-C 3.56Å; L79-Y105 WeakPolarHBondContact O-CA 3.41Å; I89-Y105 HydrophobicContact CD1-CE1 3.87Å; P93-Y105 VanDerWaalsContact CG-OH 3.26Å; P93-Y105 WeakPolarHBondContact CG-OH 3.25Å; Y103-Y105 HydrophobicContact CD2-CE2 4.24Å; Y103-Y105 AromaticContact CE2-CE2 3.92Å; Y103-Y105 HydrophobicContact CE2-CE2 3.92Å
106V94.9Very high92.8Very high0 Ų036 Ų360%019%0.185CC..EExtended strand (participates in β ladder)trans-115.2151.3167.4-64.30000108.5T41 L44 Y45 I78 L79 A80 G81 S108 L112T41-V106 HydrophobicContact CG2-CB 4.27Å; T41-V106 HydrophobicContact CG2-CG1 4.06Å; L44-V106 HydrophobicContact CD1-CG1 4.11Å; Y45-V106 HydrophobicContact CE1-CB 4.13Å; Y45-V106 HydrophobicContact CE1-CG1 4.14Å; Y45-V106 HydrophobicContact CE1-CG2 4.17Å; I78-V106 HydrophobicContact CG2-CB 4.33Å; I78-V106 HydrophobicContact CG2-CG1 3.62Å; I78-V106 HydrophobicContact CG2-CG2 3.77Å; L79-V106 WeakPolarHBondContact O-CG2 3.43Å; L79-V106 PolarHBondContact O-N 2.95Å; A80-V106 CarbonylContact C-O 3.52Å; A80-V106 VanDerWaalsContact CA-O 3.31Å; A80-V106 WeakPolarHBondContact CA-O 3.44Å; G81-V106 PolarHBondContact N-O 3.48Å; V106-S108 PolarHBondContact O-N 2.94Å; V106-L112 HydrophobicContact CG2-CB 4.24Å; V106-L112 HydrophobicContact CG2-CD2 4.05Å
107P93.7Very high92.4Very high1 Ų137.3 Ų37.31%0.00619%0.194CC..SBendtrans-74.4-25.5-166.330.4-39.3000114.8Y21 Q24 I25 V28 D82Y21-P107 HydrophobicContact CD2-CG 4Å; Y21-P107 HydrophobicContact CE2-CG 3.6Å; Q24-P107 HydrophobicContact CB-CB 3.73Å; Q24-P107 HydrophobicContact CB-CG 4.09Å; I25-P107 HydrophobicContact CG1-CB 4.45Å; V28-P107 HydrophobicContact CG1-CB 3.88Å; D82-P107 WeakPolarHBondContact CB-O 3.44Å
108S92.6Very high91.5Very high4 Ų438.1 Ų38.13%0.02821%0.21CC..  trans-128120.5-171.3171.70000112.8V106 F110 D111 L112V106-S108 PolarHBondContact O-N 2.94Å; S108-F110 PolarHBondContact O-N 2.78Å; S108-F110 PolarHBondContact OG-N 3.06Å; S108-D111 VanDerWaalsContact CB-CG 3.46Å; S108-D111 PolarHBondContact O-N 3.35Å; S108-D111 VanDerWaalsContact OG-CG 3.22Å; S108-D111 PolarHBondContact OG-N 3.12Å; S108-D111 VanDerWaalsContact OG-N 3.1Å; S108-D111 PolarHBondContact OG-OD1 3.11Å; S108-L112 PolarHBondContact O-N 3.3Å; S108-L112 VanDerWaalsContact O-N 3.12Å
109K92.4Very high90.7Very high49 Ų4936.8 Ų36.821%0.21321%0.21CC..Hα-helixtrans-63.8-26.2169.267.5-175.9162.8-74.70113.2A80 D82 I83 G113 P121 I122A80-K109 HydrophobicContact CB-CB 3.64Å; D82-K109 VanDerWaalsContact CG-NZ 3.3Å; D82-K109 PolarHBondContact O-NZ 3.44Å; D82-K109 WeakPolarHBondContact OD1-CB 3.29Å; D82-K109 WeakPolarHBondContact OD1-CG 3.32Å; D82-K109 PolarHBondContact OD1-N 3.1Å; D82-K109 IonicContact OD1-NZ 3.59Å; D82-K109 WeakPolarHBondContact OD2-CG 3.44Å; D82-K109 IonicContact OD2-NZ 3.66Å; D82-K109 PolarHBondContact OD2-NZ 2.98Å; I83-K109 HydrophobicContact CD1-CB 3.77Å; I83-K109 HydrophobicContact CD1-CD 3.68Å; I83-K109 HydrophobicContact CD1-CG 4.29Å; K109-G113 WeakPolarHBondContact O-CA 3.49Å; K109-G113 PolarHBondContact O-N 3.17Å; K109-P121 HydrophobicContact CB-CB 4.39Å; K109-P121 HydrophobicContact CD-CB 3.97Å; K109-P121 HydrophobicContact CG-CB 3.82Å; K109-I122 PolarHBondContact O-N 3.29Å
110F92Very high90.4Very high94 Ų9437.3 Ų37.341%0.41222%0.22SC..Hα-helixtrans-74.3-42.5178.3-71.1-83.7000110.8S108 G113 A114 P121S108-F110 PolarHBondContact O-N 2.78Å; S108-F110 PolarHBondContact OG-N 3.06Å; F110-G113 CarbonylContact O-C 3.6Å; F110-G113 WeakPolarHBondContact O-CA 3.39Å; F110-G113 PolarHBondContact O-N 3.3Å; F110-A114 WeakPolarHBondContact O-CB 3.47Å; F110-A114 PolarHBondContact O-N 3Å; F110-P121 HydrophobicContact CD1-CB 4.03Å; F110-P121 HydrophobicContact CE1-CB 3.99Å; F110-P121 HydrophobicContact CE1-CG 4.21Å; F110-P121 HydrophobicContact CG-CB 4.43Å; F110-P121 HydrophobicContact CZ-CB 4.36Å
111D91.8Very high90.4Very high50 Ų5033.1 Ų33.127%0.26720%0.2SC..Hα-helixtrans-69.4-41.9179.9-60.413.2000110.2Q24 Y45 S108 G113 A114 C115Q24-D111 PolarHBondContact NE2-OD2 3.16Å; Y45-D111 HydrophobicContact CE2-CB 3.75Å; Y45-D111 WeakPolarHBondContact OH-CB 3.41Å; S108-D111 VanDerWaalsContact CB-CG 3.46Å; S108-D111 PolarHBondContact O-N 3.35Å; S108-D111 VanDerWaalsContact OG-CG 3.22Å; S108-D111 PolarHBondContact OG-N 3.12Å; S108-D111 VanDerWaalsContact OG-N 3.1Å; S108-D111 PolarHBondContact OG-OD1 3.11Å; D111-G113 VanDerWaalsContact C-N 3.33Å; D111-A114 PolarHBondContact O-N 2.8Å; D111-C115 PolarHBondContact O-N 3.13Å; D111-C115 PolarHBondContact O-SG 2.84Å
112L92.8Very high90.4Very high0 Ų032.9 Ų32.90%020%0.199CC..Hα-helixtrans-61.6-44.9171.9-17460000110.8Y45 I78 V106 S108 A114 C115 V116 V125Y45-L112 HydrophobicContact CE1-CB 4.48Å; Y45-L112 HydrophobicContact CE1-CD1 4.42Å; I78-L112 HydrophobicContact CB-CD1 4.4Å; I78-L112 HydrophobicContact CG2-CD1 3.84Å; I78-L112 HydrophobicContact CG2-CD2 4.04Å; V106-L112 HydrophobicContact CG2-CB 4.24Å; V106-L112 HydrophobicContact CG2-CD2 4.05Å; S108-L112 PolarHBondContact O-N 3.3Å; S108-L112 VanDerWaalsContact O-N 3.12Å; L112-A114 VanDerWaalsContact C-N 3.35Å; L112-A114 PolarHBondContact O-N 3.24Å; L112-C115 WeakPolarHBondContact O-CB 3.41Å; L112-C115 PolarHBondContact O-N 3.35Å; L112-C115 VanDerWaalsContact O-N 3.13Å; L112-V116 PolarHBondContact O-N 3.43Å; L112-V125 HydrophobicContact CD1-CB 4.33Å; L112-V125 HydrophobicContact CD1-CG2 3.8Å; L112-V125 HydrophobicContact CD2-CG2 3.91Å; L112-V125 HydrophobicContact CG-CG2 3.72Å
113G92.9Very high90.3Very high1 Ų133.7 Ų33.71%0.0120%0.204CC..Hα-helixtrans-52-48.8172.900000112.7K109 F110 D111 C115 V116 S117 T120K109-G113 WeakPolarHBondContact O-CA 3.49Å; K109-G113 PolarHBondContact O-N 3.17Å; F110-G113 CarbonylContact O-C 3.6Å; F110-G113 WeakPolarHBondContact O-CA 3.39Å; F110-G113 PolarHBondContact O-N 3.3Å; D111-G113 VanDerWaalsContact C-N 3.33Å; G113-C115 VanDerWaalsContact C-N 3.25Å; G113-C115 PolarHBondContact O-N 3.26Å; G113-V116 PolarHBondContact O-N 2.74Å; G113-S117 CarbonylContact O-C 3.59Å; G113-S117 VanDerWaalsContact O-CA 3.31Å; G113-S117 WeakPolarHBondContact O-CA 3.24Å; G113-S117 PolarHBondContact O-N 2.76Å; G113-S117 PolarHBondContact O-OG 2.87Å; G113-T120 WeakPolarHBondContact CA-O 3.42Å
114A92.2Very high90.3Very high57 Ų5733.4 Ų33.447%0.47120%0.203SC..Hα-helixtrans-67.8-20.3-179.900000113.9F110 D111 L112 S117F110-A114 WeakPolarHBondContact O-CB 3.47Å; F110-A114 PolarHBondContact O-N 3Å; D111-A114 PolarHBondContact O-N 2.8Å; L112-A114 VanDerWaalsContact C-N 3.35Å; L112-A114 PolarHBondContact O-N 3.24Å; A114-S117 CarbonylContact C-O 3.16Å; A114-S117 VanDerWaalsContact C-O 3.24Å; A114-S117 VanDerWaalsContact CA-O 3.3Å; A114-S117 WeakPolarHBondContact CA-O 3.21Å; A114-S117 VanDerWaalsContact O-O 3.13Å
115C91.2Very high90.3Very high14 Ų1433.4 Ų33.410%0.09520%0.203CC..Hα-helixtrans-79.9-36.5176.1-65.70000112.4Y45 A48 D111 L112 G113Y45-C115 VanDerWaalsContact CB-SG 3.5Å; A48-C115 HydrophobicContact CB-CB 4.02Å; D111-C115 PolarHBondContact O-N 3.13Å; D111-C115 PolarHBondContact O-SG 2.84Å; L112-C115 WeakPolarHBondContact O-CB 3.41Å; L112-C115 PolarHBondContact O-N 3.35Å; L112-C115 VanDerWaalsContact O-N 3.13Å; G113-C115 VanDerWaalsContact C-N 3.25Å; G113-C115 PolarHBondContact O-N 3.26Å
116V90.6Very high90.4Very high9 Ų933.1 Ų33.16%0.05520%0.202CC..Hα-helixtrans-107.6-28.9-173.2-169.80000113.2A48 K52 V59 L112 G113 I122 V125A48-V116 HydrophobicContact CB-CG2 3.81Å; K52-V116 WeakPolarHBondContact CD-O 3.27Å; K52-V116 WeakPolarHBondContact CE-O 3.18Å; K52-V116 HydrophobicContact CG-CG1 4.46Å; K52-V116 WeakPolarHBondContact CG-O 3.47Å; K52-V116 PolarHBondContact NZ-O 3.34Å; V59-V116 HydrophobicContact CG2-CB 4.29Å; V59-V116 HydrophobicContact CG2-CG1 3.32Å; L112-V116 PolarHBondContact O-N 3.43Å; G113-V116 PolarHBondContact O-N 2.74Å; V116-I122 HydrophobicContact CB-CD1 3.89Å; V116-I122 HydrophobicContact CG1-CD1 4.35Å; V116-V125 HydrophobicContact CB-CG2 4.43Å; V116-V125 HydrophobicContact CG2-CG1 3.94Å; V116-V125 HydrophobicContact CG2-CG2 3.74Å
117S84.2Confident90.4Very high27 Ų2733.1 Ų33.119%0.18920%0.202CC..  trans-129.9-175.6169.582.90000108.8G113 A114 T120G113-S117 CarbonylContact O-C 3.59Å; G113-S117 VanDerWaalsContact O-CA 3.31Å; G113-S117 WeakPolarHBondContact O-CA 3.24Å; G113-S117 PolarHBondContact O-N 2.76Å; G113-S117 PolarHBondContact O-OG 2.87Å; A114-S117 CarbonylContact C-O 3.16Å; A114-S117 VanDerWaalsContact C-O 3.24Å; A114-S117 VanDerWaalsContact CA-O 3.3Å; A114-S117 WeakPolarHBondContact CA-O 3.21Å; A114-S117 VanDerWaalsContact O-O 3.13Å; S117-T120 PolarHBondContact OG-N 3.41Å; S117-T120 PolarHBondContact OG-O 3.1Å
118S72.3Confident90.5Very high104 Ų10433.8 Ų33.873%0.72721%0.206SC*.SBendtrans-120.3-8.5178.6-62.10000113.1
119V77.1Confident90.6Very high108 Ų10840.1 Ų40.166%0.65523%0.229SC*.SBendtrans-133.5-19.4-165.7-169.10000112.3
120T84.8Confident90.7Very high90 Ų9039.3 Ų39.355%0.55223%0.227SC*.SBendtrans-117.8130.6-171.6-480000110.6G113 S117 I122G113-T120 WeakPolarHBondContact CA-O 3.42Å; S117-T120 PolarHBondContact OG-N 3.41Å; S117-T120 PolarHBondContact OG-O 3.1Å; T120-I122 PolarHBondContact O-N 3.39Å
121P90.8Very high90.8Very high54 Ų5443.6 Ų43.635%0.35125%0.249SC..  trans-61.3126.7167.825.7-32.6000108.9K109 F110K109-P121 HydrophobicContact CB-CB 4.39Å; K109-P121 HydrophobicContact CD-CB 3.97Å; K109-P121 HydrophobicContact CG-CB 3.82Å; F110-P121 HydrophobicContact CD1-CB 4.03Å; F110-P121 HydrophobicContact CE1-CB 3.99Å; F110-P121 HydrophobicContact CE1-CG 4.21Å; F110-P121 HydrophobicContact CG-CB 4.43Å; F110-P121 HydrophobicContact CZ-CB 4.36Å
122I92.2Very high90.9Very high7 Ų748 Ų484%0.03627%0.268CS..  trans-110117.6-179.2-69.2170.3000107.7V59 K109 V116 T120 I124 V125V59-I122 HydrophobicContact CG1-CB 4.38Å; V59-I122 HydrophobicContact CG1-CD1 3.61Å; V59-I122 HydrophobicContact CG1-CG1 3.78Å; V59-I122 HydrophobicContact CG1-CG2 3.67Å; V59-I122 HydrophobicContact CG2-CD1 4.17Å; K109-I122 PolarHBondContact O-N 3.29Å; V116-I122 HydrophobicContact CB-CD1 3.89Å; V116-I122 HydrophobicContact CG1-CD1 4.35Å; T120-I122 PolarHBondContact O-N 3.39Å; I122-I124 WeakPolarHBondContact CG2-O 3.5Å; I122-V125 HydrophobicContact CG2-CG2 3.56Å
123P92.8Very high90.9Very high26 Ų2648.3 Ų48.317%0.16927%0.269CS..SBendtrans-77.1-25.4-179.930.4-34.9000113L79 A80 I83 L88 I89L79-P123 CarbonylContact C-O 3.49Å; A80-P123 PolarHBondContact N-O 2.79Å; I83-P123 HydrophobicContact CD1-CB 3.44Å; I83-P123 VanDerWaalsContact CD1-CB 3.44Å; I83-P123 HydrophobicContact CG1-CB 3.89Å; L88-P123 HydrophobicContact CD2-CB 4.37Å; L88-P123 HydrophobicContact CD2-CG 4.22Å; I89-P123 HydrophobicContact CG2-CB 4.23Å
124I94.7Very high90.9Very high0 Ų048.5 Ų48.50%027%0.271CS..EExtended strand (participates in β ladder)trans-149.9138.4-173.7-165.2177.2000112G60 I61 I64 V77 I78 L79 V92 I122G60-I124 PolarHBondContact N-O 3.47Å; I61-I124 HydrophobicContact CG1-CG2 4.11Å; I64-I124 HydrophobicContact CD1-CB 4Å; I64-I124 HydrophobicContact CD1-CD1 3.67Å; I64-I124 HydrophobicContact CD1-CG1 3.45Å; I64-I124 VanDerWaalsContact CD1-CG1 3.45Å; I64-I124 HydrophobicContact CD1-CG2 3.64Å; I64-I124 HydrophobicContact CG2-CD1 4.46Å; V77-I124 HydrophobicContact CG1-CD1 3.79Å; V77-I124 HydrophobicContact CG1-CG1 3.97Å; I78-I124 CarbonylContact O-C 3.44Å; I78-I124 WeakPolarHBondContact O-CA 3.3Å; L79-I124 HydrophobicContact CD2-CD1 3.57Å; L79-I124 HydrophobicContact CD2-CG1 3.93Å; L79-I124 HydrophobicContact CG-CD1 4.16Å; L79-I124 HydrophobicContact CG-CG1 4.14Å; V92-I124 HydrophobicContact CB-CD1 3.88Å; V92-I124 HydrophobicContact CG1-CD1 3.41Å; V92-I124 VanDerWaalsContact CG1-CD1 3.41Å; V92-I124 HydrophobicContact CG2-CD1 3.82Å; I122-I124 WeakPolarHBondContact CG2-O 3.5Å
125V95.5Very high91Very high0 Ų051.8 Ų51.80%028%0.281CS..EExtended strand (participates in β ladder)trans-133.5133.7176.8178.70000109I78 L112 V116 I122 I127I78-V125 PolarHBondContact N-O 3.18Å; I78-V125 PolarHBondContact O-N 3.12Å; L112-V125 HydrophobicContact CD1-CB 4.33Å; L112-V125 HydrophobicContact CD1-CG2 3.8Å; L112-V125 HydrophobicContact CD2-CG2 3.91Å; L112-V125 HydrophobicContact CG-CG2 3.72Å; V116-V125 HydrophobicContact CB-CG2 4.43Å; V116-V125 HydrophobicContact CG2-CG1 3.94Å; V116-V125 HydrophobicContact CG2-CG2 3.74Å; I122-V125 HydrophobicContact CG2-CG2 3.56Å; V125-I127 HydrophobicContact CG1-CD1 4.38Å; V125-I127 HydrophobicContact CG1-CG1 3.85Å
126F95.8Very high91.2Very high0 Ų052.6 Ų52.60%028%0.284CS..EExtended strand (participates in β ladder)trans-108.5130.3168.8175.8-113.5000109.6T57 D58 I64 A67 I68 V73 G75 I76 V77 I101 T128T57-F126 CarbonylContact C-O 3.43Å; T57-F126 VanDerWaalsContact CA-O 3.27Å; T57-F126 WeakPolarHBondContact CA-O 3.5Å; D58-F126 HydrophobicContact CB-CB 4.25Å; D58-F126 HydrophobicContact CB-CD1 4.24Å; D58-F126 PolarHBondContact N-O 3.01Å; D58-F126 PolarHBondContact O-N 3.43Å; I64-F126 HydrophobicContact CB-CB 4.26Å; I64-F126 HydrophobicContact CD1-CB 3.83Å; I64-F126 HydrophobicContact CG1-CB 3.55Å; I64-F126 HydrophobicContact CG2-CB 4Å; I64-F126 HydrophobicContact CG2-CG 4.45Å; A67-F126 HydrophobicContact CB-CD1 3.95Å; A67-F126 HydrophobicContact CB-CE1 3.74Å; I68-F126 HydrophobicContact CG1-CE2 4.24Å; I68-F126 HydrophobicContact CG1-CZ 4.49Å; V73-F126 HydrophobicContact CB-CE1 4.41Å; V73-F126 HydrophobicContact CB-CZ 4.4Å; V73-F126 HydrophobicContact CG1-CE1 4.07Å; V73-F126 HydrophobicContact CG1-CZ 4.11Å; V73-F126 WeakPolarHBondContact O-CZ 3.31Å; G75-F126 VanDerWaalsContact CA-CE2 3.46Å; I76-F126 WeakPolarHBondContact O-CA 3.48Å; V77-F126 HydrophobicContact CG2-CD2 3.62Å; V77-F126 HydrophobicContact CG2-CE2 4.32Å; I101-F126 HydrophobicContact CG2-CE2 4.39Å; F126-T128 HydrophobicContact CD1-CG2 4Å; F126-T128 HydrophobicContact CE1-CG2 3.37Å; F126-T128 HydrophobicContact CZ-CG2 4.01Å
127I96.2Very high91.5Very high0 Ų052.6 Ų52.60%028%0.283CS..EExtended strand (participates in β ladder)trans-118.4122.6-178.6-54.4-173.7000108.8L47 A48 A51 T57 G75 I76 I78 V125 Y133 Y137L47-I127 HydrophobicContact CB-CD1 4.5Å; L47-I127 HydrophobicContact CD1-CG2 4.45Å; L47-I127 HydrophobicContact CD2-CD1 4.14Å; L47-I127 HydrophobicContact CD2-CG2 4.37Å; L47-I127 HydrophobicContact CG-CD1 3.89Å; L47-I127 HydrophobicContact CG-CG2 4.17Å; A48-I127 HydrophobicContact CB-CD1 3.9Å; A51-I127 HydrophobicContact CB-CG2 3.63Å; T57-I127 HydrophobicContact CG2-CG1 4.24Å; G75-I127 CarbonylContact C-O 3.58Å; G75-I127 WeakPolarHBondContact CA-O 2.82Å; I76-I127 PolarHBondContact N-O 2.72Å; I76-I127 PolarHBondContact O-N 3.28Å; I78-I127 HydrophobicContact CD1-CD1 3.65Å; I78-I127 HydrophobicContact CD1-CG1 4.35Å; V125-I127 HydrophobicContact CG1-CD1 4.38Å; V125-I127 HydrophobicContact CG1-CG1 3.85Å; I127-Y133 HydrophobicContact CG2-CE2 4.22Å; I127-Y137 HydrophobicContact CG2-CD2 4.26Å; I127-Y137 HydrophobicContact CG2-CE2 4.42Å
128T95.1Very high92.1Very high16 Ų1654 Ų5410%0.09829%0.289CS..EExtended strand (participates in β ladder)trans-90.4154.2173.260.30000110.8K56 V73 F126 Y133K56-T128 WeakPolarHBondContact CB-OG1 3.49Å; K56-T128 WeakPolarHBondContact CD-OG1 3.09Å; K56-T128 PolarHBondContact O-N 3.24Å; K56-T128 VanDerWaalsContact O-N 3.08Å; K56-T128 PolarHBondContact O-OG1 3.15Å; V73-T128 HydrophobicContact CG1-CG2 3.47Å; V73-T128 VanDerWaalsContact CG1-CG2 3.47Å; F126-T128 HydrophobicContact CD1-CG2 4Å; F126-T128 HydrophobicContact CE1-CG2 3.37Å; F126-T128 HydrophobicContact CZ-CG2 4.01Å; T128-Y133 WeakPolarHBondContact O-CE2 3.37Å; T128-Y133 PolarHBondContact O-OH 3.23Å
129R94.6Very high93.1Very high137 Ų13755.4 Ų55.452%0.51728%0.282SS..  trans-67.5138.7174.3-168.6174-173.1-82.1-1.4110.6Y137 D138R129-Y137 HydrophobicContact CB-CD1 3.84Å; R129-Y137 HydrophobicContact CB-CD2 4.43Å; R129-Y137 HydrophobicContact CB-CE1 3.66Å; R129-Y137 HydrophobicContact CB-CE2 4.25Å; R129-Y137 HydrophobicContact CB-CG 4.24Å; R129-Y137 HydrophobicContact CG-CD1 3.61Å; R129-Y137 HydrophobicContact CG-CE1 3.88Å; R129-Y137 HydrophobicContact CG-CG 4.11Å; R129-D138 IonicContact CZ-OD1 3.71Å; R129-D138 IonicContact CZ-OD2 2.74Å; R129-D138 IonicContact NE-OD1 3.64Å; R129-D138 PolarHBondContact NE-OD1 2.83Å; R129-D138 IonicContact NE-OD2 2.83Å; R129-D138 IonicContact NH2-OD1 2.89Å; R129-D138 IonicContact NH2-OD2 3.76Å; R129-D138 PolarHBondContact NH2-OD2 3.38Å
130D94.8Very high94Very high31 Ų3150.3 Ų50.317%0.16625%0.25CS..  trans-142.6155.4174.5-167.3-95.7000109.8V54 K56 Q132 Y133 G134V54-D130 HydrophobicContact CG2-CB 4.48Å; K56-D130 WeakPolarHBondContact CE-OD2 3.49Å; K56-D130 HydrophobicContact CG-CB 4.13Å; D130-Q132 VanDerWaalsContact C-N 3.29Å; D130-Q132 PolarHBondContact O-N 2.88Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.43Å; D130-Q132 PolarHBondContact OD1-N 3.27Å; D130-Y133 HydrophobicContact CB-CD1 4.25Å; D130-Y133 HydrophobicContact CB-CE1 3.54Å; D130-Y133 HydrophobicContact CB-CE2 4.08Å; D130-Y133 VanDerWaalsContact CB-CZ 3.44Å; D130-Y133 WeakPolarHBondContact CB-OH 3.34Å; D130-Y133 PolarHBondContact O-N 3.38Å; D130-G134 WeakPolarHBondContact O-CA 3.48Å; D130-G134 PolarHBondContact O-N 2.92Å
131E94Very high94.5Very high185 Ų18548.9 Ų48.986%0.86424%0.235SC*.G310 helixtrans-63.3-34.3-179.3-170.4177.1177.800112.1Y133 G134E131-Y133 PolarHBondContact O-N 2.84Å; E131-Y133 VanDerWaalsContact O-N 3.11Å; E131-G134 PolarHBondContact O-N 3.27Å
132Q93.5Very high94.7Very high142 Ų14250.9 Ų50.966%0.66425%0.247SC*.G310 helixtrans-68-16.4-174.9-66.8-177.456.300114.5V54 D130V54-Q132 HydrophobicContact CG1-CB 4.19Å; V54-Q132 HydrophobicContact CG1-CG 4.26Å; D130-Q132 VanDerWaalsContact C-N 3.29Å; D130-Q132 PolarHBondContact O-N 2.88Å; D130-Q132 WeakPolarHBondContact OD1-CB 3.43Å; D130-Q132 PolarHBondContact OD1-N 3.27Å
133Y93.6Very high94.8Very high6 Ų652 Ų522%0.02426%0.257CS..G310 helixtrans-142.121.5178.455.2-99.7000113.1L47 K50 A51 V54 K56 I127 T128 D130 E131 D135 L136 Y137L47-Y133 HydrophobicContact CD1-CD2 3.31Å; L47-Y133 HydrophobicContact CD1-CE2 3.75Å; L47-Y133 HydrophobicContact CD1-CG 4.02Å; K50-Y133 HydrophobicContact CB-CD1 4.04Å; K50-Y133 HydrophobicContact CB-CG 4.3Å; A51-Y133 VanDerWaalsContact CA-CE1 3.44Å; A51-Y133 HydrophobicContact CB-CE1 3.75Å; A51-Y133 HydrophobicContact CB-CE2 4.26Å; A51-Y133 WeakPolarHBondContact CB-OH 3.42Å; V54-Y133 HydrophobicContact CG2-CD1 4.48Å; V54-Y133 HydrophobicContact CG2-CE1 3.58Å; K56-Y133 WeakPolarHBondContact CB-OH 3.32Å; I127-Y133 HydrophobicContact CG2-CE2 4.22Å; T128-Y133 WeakPolarHBondContact O-CE2 3.37Å; T128-Y133 PolarHBondContact O-OH 3.23Å; D130-Y133 HydrophobicContact CB-CD1 4.25Å; D130-Y133 HydrophobicContact CB-CE1 3.54Å; D130-Y133 HydrophobicContact CB-CE2 4.08Å; D130-Y133 VanDerWaalsContact CB-CZ 3.44Å; D130-Y133 WeakPolarHBondContact CB-OH 3.34Å; D130-Y133 PolarHBondContact O-N 3.38Å; E131-Y133 PolarHBondContact O-N 2.84Å; E131-Y133 VanDerWaalsContact O-N 3.11Å; Y133-D135 VanDerWaalsContact C-N 3.34Å; Y133-D135 PolarHBondContact O-N 2.89Å; Y133-L136 PolarHBondContact O-N 3.38Å; Y133-Y137 HydrophobicContact CE2-CD2 4.23Å; Y133-Y137 PolarHBondContact O-N 2.86Å
134G93.5Very high94.9Very high6 Ų651 Ų516%0.06225%0.25CS..Hα-helixtrans-46.5-53.1-177.300000112.7D130 E131 L136 Y137 D138D130-G134 WeakPolarHBondContact O-CA 3.48Å; D130-G134 PolarHBondContact O-N 2.92Å; E131-G134 PolarHBondContact O-N 3.27Å; G134-L136 VanDerWaalsContact C-N 3.26Å; G134-L136 PolarHBondContact O-N 3.17Å; G134-Y137 CarbonylContact O-C 3.54Å; G134-Y137 WeakPolarHBondContact O-CA 3.1Å; G134-Y137 WeakPolarHBondContact O-CB 3.44Å; G134-Y137 PolarHBondContact O-N 2.56Å; G134-D138 WeakPolarHBondContact O-CB 3.36Å; G134-D138 PolarHBondContact O-N 2.82Å
135D94.8Very high94.8Very high126 Ų12655.8 Ų55.867%0.67428%0.276SS*.Hα-helixtrans-57.5-36.5179.4-60.6-22.5000114.1Y133 K139Y133-D135 VanDerWaalsContact C-N 3.34Å; Y133-D135 PolarHBondContact O-N 2.89Å; D135-K139 WeakPolarHBondContact O-CD 3.4Å; D135-K139 WeakPolarHBondContact O-CG 3.4Å; D135-K139 PolarHBondContact O-N 2.86Å
136L95.2Very high94.6Very high31 Ų3159.6 Ų59.616%0.16231%0.307CS..Hα-helixtrans-76.4-40.1178.9-179.562000110.4K46 L47 K50 Y133 G134 C140K46-L136 HydrophobicContact CB-CD2 4.21Å; L47-L136 HydrophobicContact CB-CD2 4.01Å; L47-L136 HydrophobicContact CB-CG 4.24Å; L47-L136 HydrophobicContact CD1-CD2 4.33Å; L47-L136 HydrophobicContact CD1-CG 4.25Å; K50-L136 HydrophobicContact CD-CD2 4.17Å; Y133-L136 PolarHBondContact O-N 3.38Å; G134-L136 VanDerWaalsContact C-N 3.26Å; G134-L136 PolarHBondContact O-N 3.17Å; L136-C140 PolarHBondContact O-N 3.07Å; L136-C140 VanDerWaalsContact O-N 3.12Å; L136-C140 PolarHBondContact O-SG 3.41Å
137Y96.5Very high94.3Very high8 Ų861.2 Ų61.23%0.03132%0.316CS..Hα-helixtrans-60.8-53.7176178.1-86.9000110.5L47 G75 I76 I127 R129 Y133 G134 K139 C140 Y141L47-Y137 HydrophobicContact CD1-CD2 4.48Å; L47-Y137 HydrophobicContact CD2-CD2 4.24Å; G75-Y137 VanDerWaalsContact C-OH 3.25Å; G75-Y137 WeakPolarHBondContact CA-OH 2.99Å; I76-Y137 HydrophobicContact CD1-CD2 3.96Å; I76-Y137 HydrophobicContact CD1-CE2 3.71Å; I76-Y137 HydrophobicContact CG1-CE2 3.78Å; I127-Y137 HydrophobicContact CG2-CD2 4.26Å; I127-Y137 HydrophobicContact CG2-CE2 4.42Å; R129-Y137 HydrophobicContact CB-CD1 3.84Å; R129-Y137 HydrophobicContact CB-CD2 4.43Å; R129-Y137 HydrophobicContact CB-CE1 3.66Å; R129-Y137 HydrophobicContact CB-CE2 4.25Å; R129-Y137 HydrophobicContact CB-CG 4.24Å; R129-Y137 HydrophobicContact CG-CD1 3.61Å; R129-Y137 HydrophobicContact CG-CE1 3.88Å; R129-Y137 HydrophobicContact CG-CG 4.11Å; Y133-Y137 HydrophobicContact CE2-CD2 4.23Å; Y133-Y137 PolarHBondContact O-N 2.86Å; G134-Y137 CarbonylContact O-C 3.54Å; G134-Y137 WeakPolarHBondContact O-CA 3.1Å; G134-Y137 WeakPolarHBondContact O-CB 3.44Å; G134-Y137 PolarHBondContact O-N 2.56Å; Y137-K139 VanDerWaalsContact C-N 3.31Å; Y137-K139 PolarHBondContact O-N 3.3Å; Y137-C140 CarbonylContact O-C 3.24Å; Y137-C140 WeakPolarHBondContact O-CA 3.43Å; Y137-C140 WeakPolarHBondContact O-CB 3.45Å; Y137-C140 PolarHBondContact O-N 3.38Å; Y137-Y141 AromaticContact CE1-CD2 3.78Å; Y137-Y141 HydrophobicContact CE1-CD2 3.78Å; Y137-Y141 HydrophobicContact CE1-CG 4.27Å; Y137-Y141 AromaticContact CZ-CD2 3.82Å; Y137-Y141 WeakPolarHBondContact O-CB 3.44Å; Y137-Y141 PolarHBondContact O-N 3.48Å; Y137-Y141 WeakPolarHBondContact OH-CD2 3.38Å
138D95.5Very high93.6Very high58 Ų5866.2 Ų66.231%0.3135%0.348SS..Hα-helixtrans-58.6-45-175.6-63-22.5000110.4R129 G134 C140 Y141 T142R129-D138 IonicContact CZ-OD1 3.71Å; R129-D138 IonicContact CZ-OD2 2.74Å; R129-D138 IonicContact NE-OD1 3.64Å; R129-D138 PolarHBondContact NE-OD1 2.83Å; R129-D138 IonicContact NE-OD2 2.83Å; R129-D138 IonicContact NH2-OD1 2.89Å; R129-D138 IonicContact NH2-OD2 3.76Å; R129-D138 PolarHBondContact NH2-OD2 3.38Å; G134-D138 WeakPolarHBondContact O-CB 3.36Å; G134-D138 PolarHBondContact O-N 2.82Å; D138-C140 VanDerWaalsContact C-N 3.28Å; D138-C140 PolarHBondContact O-N 3.15Å; D138-Y141 WeakPolarHBondContact O-CB 3.38Å; D138-Y141 PolarHBondContact O-N 2.88Å; D138-T142 PolarHBondContact O-N 3.26Å; D138-T142 PolarHBondContact O-OG1 2.85Å; D138-T142 VanDerWaalsContact O-OG1 3.1Å
139K95.1Very high92.7Very high133 Ų13370 Ų7058%0.57837%0.368SS*.Hα-helixtrans-67.6-23.2175.3-65.7172.4-175.1171.70113.9R43 D135 Y137 A143R43-K139 PolarHBondContact NH1-O 3.21Å; R43-K139 VanDerWaalsContact NH1-O 3.15Å; R43-K139 PolarHBondContact NH2-O 3.1Å; D135-K139 WeakPolarHBondContact O-CD 3.4Å; D135-K139 WeakPolarHBondContact O-CG 3.4Å; D135-K139 PolarHBondContact O-N 2.86Å; Y137-K139 VanDerWaalsContact C-N 3.31Å; Y137-K139 PolarHBondContact O-N 3.3Å; K139-A143 WeakPolarHBondContact O-CB 3.37Å
140C95.5Very high91.5Very high0 Ų066.2 Ų66.20%036%0.361CS..Hα-helixtrans-84-40.7174.7-67.60000109.8R43 L44 L47 I76 L136 Y137 D138 A143 V144R43-C140 PolarHBondContact NH2-SG 3.41Å; R43-C140 VanDerWaalsContact NH2-SG 3.4Å; L44-C140 HydrophobicContact CD2-CB 4.11Å; L47-C140 HydrophobicContact CD2-CB 3.9Å; I76-C140 HydrophobicContact CD1-CB 4.06Å; L136-C140 PolarHBondContact O-N 3.07Å; L136-C140 VanDerWaalsContact O-N 3.12Å; L136-C140 PolarHBondContact O-SG 3.41Å; Y137-C140 CarbonylContact O-C 3.24Å; Y137-C140 WeakPolarHBondContact O-CA 3.43Å; Y137-C140 WeakPolarHBondContact O-CB 3.45Å; Y137-C140 PolarHBondContact O-N 3.38Å; D138-C140 VanDerWaalsContact C-N 3.28Å; D138-C140 PolarHBondContact O-N 3.15Å; C140-A143 CarbonylContact O-C 3.59Å; C140-A143 PolarHBondContact O-N 3.32Å; C140-A143 VanDerWaalsContact O-N 3.11Å; C140-V144 VanDerWaalsContact O-CG2 3.29Å; C140-V144 WeakPolarHBondContact O-CG2 3.35Å; C140-V144 PolarHBondContact O-N 3.03Å
141Y95.1Very high89.8Confident61 Ų6176.3 Ų76.324%0.23941%0.413CS..Hα-helixtrans-53.7-57.9175.7-169.8-81.9000110I76 P102 Y137 D138 A143 V144 D145I76-Y141 HydrophobicContact CD1-CD2 4.23Å; I76-Y141 HydrophobicContact CG1-CD2 3.76Å; I76-Y141 HydrophobicContact CG1-CG 4.48Å; P102-Y141 HydrophobicContact CG-CD2 3.74Å; P102-Y141 HydrophobicContact CG-CE1 4.24Å; P102-Y141 HydrophobicContact CG-CE2 3.34Å; P102-Y141 HydrophobicContact CG-CG 4.36Å; Y137-Y141 AromaticContact CE1-CD2 3.78Å; Y137-Y141 HydrophobicContact CE1-CD2 3.78Å; Y137-Y141 HydrophobicContact CE1-CG 4.27Å; Y137-Y141 AromaticContact CZ-CD2 3.82Å; Y137-Y141 WeakPolarHBondContact O-CB 3.44Å; Y137-Y141 PolarHBondContact O-N 3.48Å; Y137-Y141 WeakPolarHBondContact OH-CD2 3.38Å; D138-Y141 WeakPolarHBondContact O-CB 3.38Å; D138-Y141 PolarHBondContact O-N 2.88Å; Y141-A143 PolarHBondContact O-N 3.02Å; Y141-A143 VanDerWaalsContact O-N 3.16Å; Y141-V144 PolarHBondContact O-N 3.17Å; Y141-V144 VanDerWaalsContact O-N 3.11Å; Y141-D145 HydrophobicContact CD1-CB 4.5Å; Y141-D145 HydrophobicContact CE1-CB 4.46Å; Y141-D145 WeakPolarHBondContact O-CB 3.43Å; Y141-D145 PolarHBondContact O-N 2.97Å
142T94.7Very high89.5Confident95 Ų9570.9 Ų70.958%0.58339%0.39SS*.Hα-helixtrans-58.2-34177.7-510000112.9D138 A146D138-T142 PolarHBondContact O-N 3.26Å; D138-T142 PolarHBondContact O-OG1 2.85Å; D138-T142 VanDerWaalsContact O-OG1 3.1Å; T142-A146 WeakPolarHBondContact O-CB 3.5Å; T142-A146 PolarHBondContact O-N 3.03Å; T142-A146 VanDerWaalsContact O-N 3.12Å
143A94.9Very high89.3Confident31 Ų3167.1 Ų67.126%0.25638%0.376SS..Hα-helixtrans-78.2-27.5-178.600000113.3L40 K139 C140 Y141 L147L40-A143 HydrophobicContact CD1-CB 3.71Å; L40-A143 HydrophobicContact CD2-CB 4.34Å; K139-A143 WeakPolarHBondContact O-CB 3.37Å; C140-A143 CarbonylContact O-C 3.59Å; C140-A143 PolarHBondContact O-N 3.32Å; C140-A143 VanDerWaalsContact O-N 3.11Å; Y141-A143 PolarHBondContact O-N 3.02Å; Y141-A143 VanDerWaalsContact O-N 3.16Å; A143-L147 WeakPolarHBondContact O-CG 3.31Å
144V94.1Very high89.1Confident4 Ų470.5 Ų70.52%0.02440%0.396CS..Hα-helixtrans-82.3-43.2175.1174.20000109.9L40 L44 I76 P102 Y103 C104 C140 Y141 A146 L147L40-V144 HydrophobicContact CD2-CG2 4.13Å; L44-V144 HydrophobicContact CD2-CG2 4.17Å; I76-V144 HydrophobicContact CG2-CG1 4.34Å; I76-V144 HydrophobicContact CG2-CG2 4.2Å; P102-V144 HydrophobicContact CB-CB 4.37Å; P102-V144 HydrophobicContact CB-CG1 3.82Å; Y103-V144 VanDerWaalsContact C-CG1 3.49Å; Y103-V144 VanDerWaalsContact O-CG1 3.32Å; Y103-V144 WeakPolarHBondContact O-CG1 3.43Å; C104-V144 HydrophobicContact CB-CG1 3.93Å; C104-V144 HydrophobicContact CB-CG2 4.32Å; C140-V144 VanDerWaalsContact O-CG2 3.29Å; C140-V144 WeakPolarHBondContact O-CG2 3.35Å; C140-V144 PolarHBondContact O-N 3.03Å; Y141-V144 PolarHBondContact O-N 3.17Å; Y141-V144 VanDerWaalsContact O-N 3.11Å; V144-A146 PolarHBondContact O-N 3.14Å; V144-L147 HydrophobicContact CG1-CD1 4.45Å; V144-L147 VanDerWaalsContact O-CB 3.24Å; V144-L147 WeakPolarHBondContact O-CB 3.43Å; V144-L147 WeakPolarHBondContact O-CG 3.46Å; V144-L147 PolarHBondContact O-N 2.78Å
145D92.5Very high88.8Confident102 Ų10274.3 Ų74.355%0.54542%0.415SS..Hα-helixtrans-61.2-33176.7-169.655.4000112.5P102 Y141 L147P102-D145 HydrophobicContact CB-CB 4.27Å; Y141-D145 HydrophobicContact CD1-CB 4.5Å; Y141-D145 HydrophobicContact CE1-CB 4.46Å; Y141-D145 WeakPolarHBondContact O-CB 3.43Å; Y141-D145 PolarHBondContact O-N 2.97Å; D145-L147 PolarHBondContact O-N 2.92Å
146A92.6Very high88.5Confident79 Ų7971.1 Ų71.165%0.65340%0.399SS*.THydrogen-bonded Turntrans-78-0.8174.200000114.5T142 V144T142-A146 WeakPolarHBondContact O-CB 3.5Å; T142-A146 PolarHBondContact O-N 3.03Å; T142-A146 VanDerWaalsContact O-N 3.12Å; V144-A146 PolarHBondContact O-N 3.14Å
147L89.4Confident88Confident35 Ų3573.7 Ų73.718%0.18342%0.415CS..SBendtrans-75.7141.1176.3-65171.7000110.1P34 L40 C104 A143 V144 D145 L149P34-L147 HydrophobicContact CB-CB 3.66Å; P34-L147 HydrophobicContact CB-CD1 4.04Å; P34-L147 HydrophobicContact CB-CG 4.35Å; P34-L147 HydrophobicContact CG-CB 3.83Å; P34-L147 HydrophobicContact CG-CD1 4.09Å; L40-L147 HydrophobicContact CD2-CD1 4.14Å; C104-L147 HydrophobicContact CB-CD1 3.72Å; A143-L147 WeakPolarHBondContact O-CG 3.31Å; V144-L147 HydrophobicContact CG1-CD1 4.45Å; V144-L147 VanDerWaalsContact O-CB 3.24Å; V144-L147 WeakPolarHBondContact O-CB 3.43Å; V144-L147 WeakPolarHBondContact O-CG 3.46Å; V144-L147 PolarHBondContact O-N 2.78Å; D145-L147 PolarHBondContact O-N 2.92Å; L147-L149 PolarHBondContact O-N 2.76Å
148P80.7Confident87.4Confident104 Ų10478.4 Ų78.468%0.67544%0.442SS*.PPolyproline II helixtrans-67.6120.3177.428.2-33.2000109.5P34P34-P148 WeakPolarHBondContact CB-O 3.37Å
149L75.9Confident86.8Confident97 Ų9780 Ų8051%0.50845%0.453SS..PPolyproline II helixtrans-63.4139.7168.8-64.7174.9000109.1Y103 L147 L151Y103-L149 HydrophobicContact CD1-CD2 4.5Å; Y103-L149 HydrophobicContact CE1-CD2 3.64Å; L147-L149 PolarHBondContact O-N 2.76Å; L149-L151 PolarHBondContact O-N 3.39Å
150P69.7Low86.1Confident57 Ų5775.6 Ų75.637%0.3744%0.442SS..  trans-65.2107.9173.928-32.6000108.6Q33Q33-P150 HydrophobicContact CB-CB 4.1Å; Q33-P150 HydrophobicContact CB-CG 4.28Å
151L58.2Low85.3Confident242 Ų24282.5 Ų82.5100%1.26748%0.482SS*.  trans-72.20171.1-66.8173.6000111.3L149L149-L151 PolarHBondContact O-N 3.39Å

Retrieved 151 of 151 residues in 520 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).