B5XAH1_SALSA Loading...

Ubiquitin C-terminal hydrolase PSMD14

AlphaFold DB , UniProt , Accession B5XAH1, Species SALSA (Salmo salar, Atlantic salmon), Gene PSDE, Length 310 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
1M44Very low37.2Very low237 Ų237167 Ų167100%1.16791%0.909SS**  075.10-74.7-164.9-174.600107.9
2D40.4Very low37.1Very low166 Ų166162.8 Ų162.889%0.88890%0.896SS**  trans-155.750.9-176.5-93.7-49.3000110.5
3R32.5Very low37.2Very low248 Ų248156.2 Ų156.294%0.93689%0.889SS**  trans-154.441.1-179.2-122-178-169.4-165.22.8113.7
4L39.3Very low37.2Very low169 Ų169158 Ų15889%0.88589%0.893SS**SBendtrans-143.935.6178.4-132.3144.6000112.1
5L41.1Very low36.9Very low170 Ų170151.5 Ų151.589%0.8988%0.875SS**SBendtrans-140.732.9180-140.8100000114.5
6R44.1Very low37.3Very low237 Ų237154.1 Ų154.189%0.89488%0.877SS**  trans-160.287.6176.4-110.7-178.7-179.6-174.4-0111.7
7L36.8Very low37.3Very low186 Ų186148.1 Ų148.197%0.97486%0.857SS**  trans169.581.7160.9-99.6140.3000105.9
8G31.3Very low37.5Very low83 Ų83146.1 Ų146.186%0.85685%0.849SS**  120.5137.583.400000106.4
9G30.7Very low38.2Very low77 Ų77144.8 Ų144.879%0.79485%0.846SS**  cis173.4136.54.200000106.1
10G37.1Very low38.5Very low78 Ų78143.7 Ų143.780%0.80484%0.842SS**  trans45.796155.900000119.5
11M31.7Very low39.1Very low186 Ų186145 Ų14592%0.91685%0.845SS**  trans-100.1120.7140.5-92.8-95.9-178.400107
12P36.7Very low39.8Very low116 Ų116136.6 Ų136.675%0.75381%0.813SS**  trans-65.3145.6-178.227.8-31.8000109.7L14P12-L14 PolarHBondContact O-N 2.97Å
13G38.4Very low40.8Very low77 Ų77135.2 Ų135.279%0.79481%0.813SS**  trans-44.5123.6-176.300000112.6G15G13-G15 PolarHBondContact O-N 3.48Å
14L36.1Very low42.4Very low182 Ų182125.4 Ų125.495%0.95379%0.785SS**  trans-63.675.8144.6-85.4147.5000106.3P12 Q16P12-L14 PolarHBondContact O-N 2.97Å; L14-Q16 PolarHBondContact O-N 3.02Å; L14-Q16 VanDerWaalsContact O-N 3.16Å
15G33.9Very low44Very low60 Ų60120.3 Ų120.362%0.61976%0.761SS**  trans-50.7122.7154.900000105.6G13 G17G13-G15 PolarHBondContact O-N 3.48Å; G15-G17 PolarHBondContact O-N 3.28Å
16Q43.2Very low45.7Very low194 Ų194112.7 Ų112.791%0.90772%0.721SS**  trans-44.8106.5151-82173.6-800105L14L14-Q16 PolarHBondContact O-N 3.02Å; L14-Q16 VanDerWaalsContact O-N 3.16Å
17G36.2Very low47.2Very low52 Ų52101.8 Ų101.854%0.53668%0.681SS.*  trans-50.7147.6162.100000106.7G15G15-G17 PolarHBondContact O-N 3.28Å
18P41.8Very low49.4Very low111 Ų11194 Ų9472%0.72164%0.644SS**  trans-47.213917223-31.7000107.4T20P18-T20 VanDerWaalsContact C-N 3.35Å; P18-T20 PolarHBondContact O-N 3.17Å
19P49.8Very low52Low122 Ų12290.3 Ų90.379%0.79260%0.604SS**  trans-50.5112.1176.222.4-31.1000105.3D21P19-D21 PolarHBondContact O-N 3Å
20T45.4Very low54.9Low123 Ų12388 Ų8876%0.75557%0.572SS**  trans-54.6131.3170.950.10000104.4P18 A22P18-T20 VanDerWaalsContact C-N 3.35Å; P18-T20 PolarHBondContact O-N 3.17Å; T20-A22 PolarHBondContact O-N 3.25Å
21D51.1Low57.6Low170 Ų17084.2 Ų84.291%0.90953%0.534SS*.  trans-61.473.3170.8-76.9-35.5000108.1P19P19-D21 PolarHBondContact O-N 3Å
22A59Low60.7Low61 Ų6179.1 Ų79.150%0.50451%0.505SS..  trans-71.8131.4168.100000104.9T20 A24T20-A22 PolarHBondContact O-N 3.25Å; A22-A24 PolarHBondContact O-N 3.11Å
23P59.8Low63.5Low137 Ų13773.6 Ų73.689%0.8947%0.469SS*.  trans-57.5106.8177.122.6-30.9000108.1
24A66.9Low66.2Low42 Ų4270.8 Ų70.835%0.34744%0.437SS..PPolyproline II helixtrans-95.7136.6178.800000108.4A22 D26 Q176A22-A24 PolarHBondContact O-N 3.11Å; A24-D26 PolarHBondContact O-N 3.04Å; A24-Q176 HydrophobicContact CB-CG 3.68Å
25V72.2Confident68.9Low62 Ų6263 Ų6338%0.37640%0.398SS..PPolyproline II helixtrans-65132.7173.3-72.90000109.9P174 R175 Q176V25-P174 VanDerWaalsContact CG2-O 3.3Å; V25-P174 WeakPolarHBondContact CG2-O 3.31Å; V25-R175 HydrophobicContact CG2-CG 3.86Å; V25-R175 VanDerWaalsContact O-CA 3.23Å; V25-R175 WeakPolarHBondContact O-CA 3.41Å; V25-R175 WeakPolarHBondContact O-CB 3.3Å; V25-Q176 PolarHBondContact O-N 3.5Å
26D77.4Confident71.7Confident11 Ų1163.5 Ų63.56%0.05939%0.387CS..BIsolated β-bridgetrans-98.9150.2-174.9-170-14.9000111.1A24 A28 E29 Y65 R175 Q176 T178A24-D26 PolarHBondContact O-N 3.04Å; D26-A28 HydrophobicContact CB-CB 4.49Å; D26-A28 PolarHBondContact O-N 3.31Å; D26-A28 PolarHBondContact OD1-N 2.91Å; D26-E29 PolarHBondContact O-N 3.48Å; D26-Y65 HydrophobicContact CB-CD1 3.87Å; D26-Y65 HydrophobicContact CB-CE1 3.42Å; D26-Y65 VanDerWaalsContact CB-CE1 3.42Å; D26-R175 PolarHBondContact O-NE 2.7Å; D26-R175 PolarHBondContact O-NH2 2.79Å; D26-Q176 WeakPolarHBondContact CA-O 3.46Å; D26-T178 PolarHBondContact OD1-N 2.83Å; D26-T178 PolarHBondContact OD1-OG1 2.98Å; D26-T178 WeakPolarHBondContact OD2-CB 3.44Å; D26-T178 VanDerWaalsContact OD2-CG2 3.23Å; D26-T178 WeakPolarHBondContact OD2-CG2 3.3Å; D26-T178 PolarHBondContact OD2-OG1 3.09Å
27T76.2Confident74.2Confident8 Ų854.3 Ų54.35%0.04934%0.343CS..THydrogen-bonded Turntrans-60.1-22.2167.664.10000114E29 R175 Q176 T177 S179T27-E29 VanDerWaalsContact C-N 3.26Å; T27-E29 PolarHBondContact O-N 3.23Å; T27-R175 VanDerWaalsContact CA-CZ 3.45Å; T27-R175 HydrophobicContact CG2-CB 4.09Å; T27-R175 PolarHBondContact O-NH2 3.22Å; T27-Q176 PolarHBondContact N-O 3.02Å; T27-T177 HydrophobicContact CG2-CG2 4.15Å; T27-T177 WeakPolarHBondContact CG2-OG1 3.34Å; T27-T177 WeakPolarHBondContact OG1-CA 3.37Å; T27-S179 PolarHBondContact OG1-O 3.45Å
28A81.9Confident76.9Confident23 Ų2353 Ų5319%0.1932%0.324CS..THydrogen-bonded Turntrans-75-3.6-178.900000115.3D26 Q30 S179D26-A28 HydrophobicContact CB-CB 4.49Å; D26-A28 PolarHBondContact O-N 3.31Å; D26-A28 PolarHBondContact OD1-N 2.91Å; A28-Q30 WeakPolarHBondContact O-CG 3.41Å; A28-Q30 PolarHBondContact O-N 2.79Å; A28-S179 WeakPolarHBondContact CA-OG 3.36Å; A28-S179 WeakPolarHBondContact CB-OG 3.43Å
29E87.4Confident79.4Confident4 Ų452.5 Ų52.52%0.01932%0.315CS..  trans-60.5137.1-178.9-169.6174.4-163.700112.4D26 T27 Y65 R139 R161 Y201 I203 T204D26-E29 PolarHBondContact O-N 3.48Å; T27-E29 VanDerWaalsContact C-N 3.26Å; T27-E29 PolarHBondContact O-N 3.23Å; E29-Y65 CarbonylContact C-O 3.59Å; E29-Y65 VanDerWaalsContact CA-O 3.29Å; E29-Y65 WeakPolarHBondContact CA-O 3.34Å; E29-Y65 WeakPolarHBondContact CG-O 3.33Å; E29-R139 IonicContact OE1-NH2 2.9Å; E29-R161 VanDerWaalsContact CD-NH1 3.27Å; E29-R161 IonicContact OE1-CZ 3.05Å; E29-R161 VanDerWaalsContact OE1-CZ 3.27Å; E29-R161 IonicContact OE1-NH1 3.65Å; E29-R161 PolarHBondContact OE1-NH1 3.02Å; E29-R161 IonicContact OE1-NH2 3.46Å; E29-R161 PolarHBondContact OE1-NH2 3.37Å; E29-R161 IonicContact OE2-CZ 3.67Å; E29-R161 IonicContact OE2-NH1 3.27Å; E29-R161 PolarHBondContact OE2-NH1 3.26Å; E29-R161 IonicContact OE2-NH2 3.85Å; E29-Y201 PolarHBondContact OE2-OH 2.91Å; E29-I203 HydrophobicContact CB-CG2 4.36Å; E29-I203 HydrophobicContact CG-CG2 4.23Å; E29-I203 VanDerWaalsContact O-CG2 3.31Å; E29-I203 WeakPolarHBondContact O-CG2 3.33Å; E29-T204 PolarHBondContact O-OG1 2.98Å
30Q90.9Very high81.6Confident28 Ų2850.3 Ų50.313%0.13129%0.293CS..EExtended strand (participates in β ladder)trans-130.6142.3-177.3-65.2-176.43.700112.1A28 Y32 Y65 V67 T204 N206A28-Q30 WeakPolarHBondContact O-CG 3.41Å; A28-Q30 PolarHBondContact O-N 2.79Å; Q30-Y32 PolarHBondContact OE1-OH 3.43Å; Q30-Y32 VanDerWaalsContact OE1-OH 3.05Å; Q30-Y65 PolarHBondContact N-O 2.87Å; Q30-V67 PolarHBondContact O-N 3.13Å; Q30-T204 WeakPolarHBondContact CA-O 3.5Å; Q30-T204 WeakPolarHBondContact CG-OG1 3.41Å; Q30-N206 PolarHBondContact OE1-ND2 2.71Å
31V94.4Very high83.9Confident0 Ų044.4 Ų44.40%026%0.257CS..EExtended strand (participates in β ladder)trans-108.5116.2171.7-1760000108.8I33 V67 V69 V141 A159 I203 T204 I205 N206V31-I33 HydrophobicContact CG1-CD1 4.45Å; V31-I33 HydrophobicContact CG1-CG1 3.92Å; V31-V67 CarbonylContact C-O 3.55Å; V31-V67 WeakPolarHBondContact CA-O 3.33Å; V31-V67 HydrophobicContact CG2-CB 4.44Å; V31-V69 HydrophobicContact CG1-CG2 3.98Å; V31-V141 HydrophobicContact CG2-CG1 4.12Å; V31-V141 HydrophobicContact CG2-CG2 4.28Å; V31-A159 HydrophobicContact CG2-CB 4.28Å; V31-I203 HydrophobicContact CG2-CB 4.4Å; V31-I203 HydrophobicContact CG2-CG2 3.74Å; V31-T204 PolarHBondContact N-O 3.38Å; V31-I205 WeakPolarHBondContact O-CA 3.5Å; V31-N206 PolarHBondContact O-N 3.23Å
32Y95.8Very high86Confident78 Ų7838.2 Ų38.231%0.30622%0.223SC..EExtended strand (participates in β ladder)trans-90.2114.6171.2-70.7-74.4000110.4Q30 T66 V67 R68 V69 N206Q30-Y32 PolarHBondContact OE1-OH 3.43Å; Q30-Y32 VanDerWaalsContact OE1-OH 3.05Å; Y32-T66 HydrophobicContact CD2-CG2 3.34Å; Y32-T66 HydrophobicContact CE2-CG2 3.4Å; Y32-T66 VanDerWaalsContact CE2-CG2 3.4Å; Y32-V67 PolarHBondContact N-O 3Å; Y32-R68 HydrophobicContact CD2-CG 4.48Å; Y32-V69 PolarHBondContact O-N 2.92Å; Y32-N206 CarbonylContact C-O 3.59Å; Y32-N206 VanDerWaalsContact CA-O 3.31Å; Y32-N206 WeakPolarHBondContact CA-O 3.33Å; Y32-N206 HydrophobicContact CD1-CB 3.51Å; Y32-N206 HydrophobicContact CE1-CB 3.43Å; Y32-N206 VanDerWaalsContact CE1-CB 3.43Å; Y32-N206 HydrophobicContact CG-CB 4.48Å
33I96Very high87.6Confident0 Ų043.3 Ų43.30%023%0.234CC..EExtended strand (participates in β ladder)trans-101.8129.1176.8-57.5-178.6000109.2V31 A37 L38 M41 I157 I205 N206 Y207 R208V31-I33 HydrophobicContact CG1-CD1 4.45Å; V31-I33 HydrophobicContact CG1-CG1 3.92Å; I33-A37 HydrophobicContact CG2-CB 3.94Å; I33-L38 HydrophobicContact CG2-CB 4.27Å; I33-M41 HydrophobicContact CD1-CE 4.24Å; I33-M41 HydrophobicContact CG2-CE 3.6Å; I33-I157 HydrophobicContact CD1-CD1 3.89Å; I33-I205 HydrophobicContact CD1-CD1 4.15Å; I33-I205 HydrophobicContact CD1-CG1 4.46Å; I33-I205 HydrophobicContact CD1-CG2 3.58Å; I33-I205 HydrophobicContact CG1-CG2 3.95Å; I33-N206 PolarHBondContact N-O 3.08Å; I33-Y207 HydrophobicContact CB-CD1 4.46Å; I33-R208 PolarHBondContact O-N 2.75Å
34S95.1Very high89.2Confident18 Ų1838.5 Ų38.513%0.12620%0.2CC..EExtended strand (participates in β ladder)trans-70.3153.8174.580.30000112L36 A37 L38 V69 I70S34-L36 PolarHBondContact O-N 3.39Å; S34-A37 PolarHBondContact O-N 3.07Å; S34-A37 VanDerWaalsContact OG-CB 3.3Å; S34-A37 WeakPolarHBondContact OG-CB 3.28Å; S34-A37 PolarHBondContact OG-N 3.45Å; S34-L38 PolarHBondContact O-N 3.43Å; S34-L38 VanDerWaalsContact O-N 3.07Å; S34-V69 PolarHBondContact N-O 3.31Å; S34-I70 WeakPolarHBondContact CB-O 3.23Å; S34-I70 PolarHBondContact OG-O 3.1Å
35S92.5Very high90.4Very high18 Ų1836.6 Ų36.613%0.12618%0.184CC..Hα-helixtrans-57.2-36.6173.9-53.10000112.2L39 E213S35-L39 WeakPolarHBondContact O-CG 3.27Å; S35-L39 PolarHBondContact O-N 2.87Å; S35-E213 PolarHBondContact OG-OE2 3.41Å
36L93.2Very high91.3Very high72 Ų7241.1 Ų41.138%0.37719%0.194SC..Hα-helixtrans-65.2-49.2177.7178.866.7000111.7S34 L38 L39 K40S34-L36 PolarHBondContact O-N 3.39Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 2.95Å; L36-L39 PolarHBondContact O-N 2.93Å; L36-K40 HydrophobicContact CG-CD 4.44Å; L36-K40 WeakPolarHBondContact O-CG 3.4Å; L36-K40 PolarHBondContact O-N 3.12Å
37A95.3Very high91.9Very high0 Ų044.6 Ų44.60%023%0.225CC..Hα-helixtrans-58.4-47179.100000110.6I33 S34 L39 K40 M41 V69 V72I33-A37 HydrophobicContact CG2-CB 3.94Å; S34-A37 PolarHBondContact O-N 3.07Å; S34-A37 VanDerWaalsContact OG-CB 3.3Å; S34-A37 WeakPolarHBondContact OG-CB 3.28Å; S34-A37 PolarHBondContact OG-N 3.45Å; A37-L39 PolarHBondContact O-N 3.24Å; A37-K40 PolarHBondContact O-N 2.91Å; A37-M41 HydrophobicContact CB-CE 4.27Å; A37-M41 VanDerWaalsContact O-CG 3.31Å; A37-M41 WeakPolarHBondContact O-CG 3.16Å; A37-M41 PolarHBondContact O-N 3.49Å; A37-V69 HydrophobicContact CB-CG1 4.13Å; A37-V72 HydrophobicContact CB-CG1 3.9Å
38L93.8Very high92.4Very high26 Ų2644.6 Ų44.614%0.13623%0.226CC..Hα-helixtrans-58.7-47.2179.6-173.465.2000112.6I33 S34 L36 K40 M41 L42 V155 I157 Y207I33-L38 HydrophobicContact CG2-CB 4.27Å; S34-L38 PolarHBondContact O-N 3.43Å; S34-L38 VanDerWaalsContact O-N 3.07Å; L36-L38 VanDerWaalsContact C-N 3.32Å; L36-L38 PolarHBondContact O-N 2.95Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 2.85Å; L38-M41 HydrophobicContact CD1-CE 4.45Å; L38-M41 PolarHBondContact O-N 2.98Å; L38-L42 HydrophobicContact CD1-CD1 4.45Å; L38-L42 HydrophobicContact CG-CD1 4.19Å; L38-L42 WeakPolarHBondContact O-CG 3.47Å; L38-L42 PolarHBondContact O-N 3.47Å; L38-V155 HydrophobicContact CD1-CG1 4.34Å; L38-I157 HydrophobicContact CD1-CD1 4.01Å; L38-Y207 HydrophobicContact CD1-CE1 4.07Å; L38-Y207 HydrophobicContact CD2-CD1 4.07Å; L38-Y207 HydrophobicContact CD2-CE1 3.64Å; L38-Y207 HydrophobicContact CG-CE1 4.38Å
39L93.2Very high92.7Very high100 Ų10046.2 Ų46.252%0.52423%0.233SC..Hα-helixtrans-64.7-39.2179.2-71.9174.4000112.1S35 L36 A37 K43S35-L39 WeakPolarHBondContact O-CG 3.27Å; S35-L39 PolarHBondContact O-N 2.87Å; L36-L39 PolarHBondContact O-N 2.93Å; A37-L39 PolarHBondContact O-N 3.24Å; L39-K43 VanDerWaalsContact O-CB 3.25Å; L39-K43 WeakPolarHBondContact O-CB 3.39Å; L39-K43 PolarHBondContact O-N 3.44Å
40K95.8Very high92.7Very high75 Ų7551.5 Ų51.533%0.32627%0.268SS..Hα-helixtrans-65.3-44.2175.4-76.6-176.9170.9-171.10111.8L36 A37 L38 K43 H44 D71 V72L36-K40 HydrophobicContact CG-CD 4.44Å; L36-K40 WeakPolarHBondContact O-CG 3.4Å; L36-K40 PolarHBondContact O-N 3.12Å; A37-K40 PolarHBondContact O-N 2.91Å; L38-K40 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 2.85Å; K40-K43 PolarHBondContact O-N 3.13Å; K40-H44 VanDerWaalsContact O-CB 3.23Å; K40-H44 WeakPolarHBondContact O-CB 3.31Å; K40-H44 PolarHBondContact O-N 3.06Å; K40-D71 WeakPolarHBondContact CD-OD1 3.47Å; K40-D71 VanDerWaalsContact CE-OD1 3.28Å; K40-D71 WeakPolarHBondContact CE-OD1 3.41Å; K40-D71 IonicContact NZ-OD1 3.79Å; K40-D71 PolarHBondContact NZ-OD1 3.03Å; K40-D71 IonicContact NZ-OD2 3.65Å; K40-D71 PolarHBondContact NZ-OD2 3.14Å; K40-V72 HydrophobicContact CB-CG2 3.41Å; K40-V72 VanDerWaalsContact CB-CG2 3.41Å; K40-V72 HydrophobicContact CD-CG2 3.91Å; K40-V72 VanDerWaalsContact CD-O 3.29Å; K40-V72 WeakPolarHBondContact CD-O 3.24Å; K40-V72 HydrophobicContact CG-CG2 4.35Å; K40-V72 PolarHBondContact NZ-O 2.96Å; K40-V72 VanDerWaalsContact NZ-O 3.13Å
41M95Very high92.4Very high0 Ų054.6 Ų54.60%028%0.284CS..Hα-helixtrans-59.9-47.5176.5-71-172.7-78.900111.2I33 A37 L38 H44 G45 V72 Y112 V143 V145 I157I33-M41 HydrophobicContact CD1-CE 4.24Å; I33-M41 HydrophobicContact CG2-CE 3.6Å; A37-M41 HydrophobicContact CB-CE 4.27Å; A37-M41 VanDerWaalsContact O-CG 3.31Å; A37-M41 WeakPolarHBondContact O-CG 3.16Å; A37-M41 PolarHBondContact O-N 3.49Å; L38-M41 HydrophobicContact CD1-CE 4.45Å; L38-M41 PolarHBondContact O-N 2.98Å; M41-H44 PolarHBondContact O-N 3.03Å; M41-G45 PolarHBondContact O-N 3.4Å; M41-V72 HydrophobicContact CG-CB 4.49Å; M41-V72 HydrophobicContact CG-CG1 4.13Å; M41-V72 HydrophobicContact CG-CG2 3.95Å; M41-V72 HydrophobicContact SD-CG1 4.33Å; M41-Y112 HydrophobicContact CB-CD2 4.17Å; M41-Y112 HydrophobicContact CB-CE2 3.95Å; M41-Y112 HydrophobicContact CG-CD1 4.1Å; M41-Y112 HydrophobicContact CG-CD2 3.7Å; M41-Y112 HydrophobicContact CG-CE1 4.06Å; M41-Y112 HydrophobicContact CG-CE2 3.66Å; M41-Y112 HydrophobicContact CG-CG 3.91Å; M41-Y112 HydrophobicContact SD-CD1 4.24Å; M41-Y112 HydrophobicContact SD-CD2 3.99Å; M41-Y112 HydrophobicContact SD-CG 3.81Å; M41-V143 HydrophobicContact SD-CG1 4.19Å; M41-V145 HydrophobicContact CB-CG2 4.31Å; M41-V145 HydrophobicContact SD-CG2 4.31Å; M41-I157 HydrophobicContact CE-CD1 4.31Å
42L93.6Very high92.1Very high39 Ų3956.4 Ų56.420%0.20429%0.292CS..Hα-helixtrans-65.3-43.8178.6-72.6171.5000112.6L38 H44 R46 V145 V155L38-L42 HydrophobicContact CD1-CD1 4.45Å; L38-L42 HydrophobicContact CG-CD1 4.19Å; L38-L42 WeakPolarHBondContact O-CG 3.47Å; L38-L42 PolarHBondContact O-N 3.47Å; L42-H44 VanDerWaalsContact C-N 3.33Å; L42-H44 PolarHBondContact O-N 3.32Å; L42-R46 VanDerWaalsContact O-CB 3.24Å; L42-R46 WeakPolarHBondContact O-CB 3.22Å; L42-R46 PolarHBondContact O-N 3.09Å; L42-V145 HydrophobicContact CD2-CG1 3.75Å; L42-V155 HydrophobicContact CD1-CG1 4.32Å; L42-V155 HydrophobicContact CD1-CG2 4.43Å; L42-V155 HydrophobicContact CD2-CG1 4.11Å
43K94.3Very high91.8Very high169 Ų16952.8 Ų52.874%0.73528%0.278SS*.Hα-helixtrans-60.7-44.9176.1-179.4179.6177-178.80111L39 K40 A47L39-K43 VanDerWaalsContact O-CB 3.25Å; L39-K43 WeakPolarHBondContact O-CB 3.39Å; L39-K43 PolarHBondContact O-N 3.44Å; K40-K43 PolarHBondContact O-N 3.13Å; K43-A47 WeakPolarHBondContact O-CB 3.29Å; K43-A47 PolarHBondContact O-N 2.82Å; K43-A47 VanDerWaalsContact O-N 3.12Å
44H93.3Very high91.5Very high36 Ų3653 Ų5317%0.16728%0.279CS..Hα-helixtrans-66.9-50.6179.9-174.1-152.2000111.4K40 M41 L42 R46 A47 G48 M54 A74 Y112K40-H44 VanDerWaalsContact O-CB 3.23Å; K40-H44 WeakPolarHBondContact O-CB 3.31Å; K40-H44 PolarHBondContact O-N 3.06Å; M41-H44 PolarHBondContact O-N 3.03Å; L42-H44 VanDerWaalsContact C-N 3.33Å; L42-H44 PolarHBondContact O-N 3.32Å; H44-R46 VanDerWaalsContact C-N 3.28Å; H44-R46 PolarHBondContact O-N 3.37Å; H44-A47 PolarHBondContact O-N 3.46Å; H44-A47 VanDerWaalsContact O-N 3.1Å; H44-G48 PolarHBondContact O-N 2.94Å; H44-G48 VanDerWaalsContact O-N 3.08Å; H44-M54 PolarHBondContact CE1-O 3.43Å; H44-M54 VanDerWaalsContact CE1-O 3.27Å; H44-A74 WeakPolarHBondContact CE1-CB 3.19Å; H44-A74 WeakPolarHBondContact ND1-CB 3.27Å; H44-Y112 AromaticContact ND1-CZ 3.76Å; H44-Y112 PolarHBondContact ND1-OH 3.37Å
45G90.9Very high91.4Very high1 Ų152.1 Ų52.11%0.0127%0.273CS..Hα-helixtrans-55.6-42.8177.200000112.2M41 G48 V49M41-G45 PolarHBondContact O-N 3.4Å; G45-G48 PolarHBondContact O-N 3.25Å; G45-V49 WeakPolarHBondContact O-CG2 3.33Å
46R91.7Very high91.5Very high157 Ų15751.3 Ų51.359%0.59227%0.267SS*.Hα-helixtrans-68.1-35.2178.4-169.565.3176.7-168.75.7113.1L42 H44 G48 P147L42-R46 VanDerWaalsContact O-CB 3.24Å; L42-R46 WeakPolarHBondContact O-CB 3.22Å; L42-R46 PolarHBondContact O-N 3.09Å; H44-R46 VanDerWaalsContact C-N 3.28Å; H44-R46 PolarHBondContact O-N 3.37Å; R46-G48 VanDerWaalsContact C-N 3.29Å; R46-P147 HydrophobicContact CB-CB 4.35Å; R46-P147 PolarHBondContact NH1-O 3.35Å; R46-P147 VanDerWaalsContact NH1-O 3.13Å
47A90.6Very high91.6Very high85 Ų8547.9 Ų47.970%0.70225%0.249SC*.Hα-helixtrans-71.7-24.917700000112.9K43 H44K43-A47 WeakPolarHBondContact O-CB 3.29Å; K43-A47 PolarHBondContact O-N 2.82Å; K43-A47 VanDerWaalsContact O-N 3.12Å; H44-A47 PolarHBondContact O-N 3.46Å; H44-A47 VanDerWaalsContact O-N 3.1Å
48G86.3Confident91.6Very high8 Ų848 Ų488%0.08225%0.25CS..Hα-helixtrans-76.8-23.1178.700000115.3H44 G45 R46 M51H44-G48 PolarHBondContact O-N 2.94Å; H44-G48 VanDerWaalsContact O-N 3.08Å; G45-G48 PolarHBondContact O-N 3.25Å; R46-G48 VanDerWaalsContact C-N 3.29Å; G48-M51 CarbonylContact C-O 3.35Å; G48-M51 VanDerWaalsContact C-O 3.3Å; G48-M51 CarbonylContact O-C 3.47Å; G48-M51 WeakPolarHBondContact O-CA 3.48Å; G48-M51 PolarHBondContact O-N 3.4Å
49V88.3Confident91.7Very high56 Ų5646.8 Ų46.834%0.33924%0.244SC..THydrogen-bonded Turntrans-55.1127.6-174.7-178.70000110.8G45 P116 P147 I148G45-V49 WeakPolarHBondContact O-CG2 3.33Å; V49-P116 HydrophobicContact CG2-CB 4.22Å; V49-P116 HydrophobicContact CG2-CG 4.43Å; V49-P147 HydrophobicContact CG2-CG 4.09Å; V49-I148 HydrophobicContact CG1-CD1 4.08Å; V49-I148 HydrophobicContact CG2-CG1 4.38Å
50P86.6Confident91.7Very high115 Ų11545.6 Ų45.675%0.74724%0.236SC*.THydrogen-bonded Turncis-91.40.51436.2-36.8000116.3
51M85.1Confident91.5Very high94 Ų9444.3 Ų44.346%0.46323%0.23SC..SBendtrans-87.8149.2-177-60.1-176.3-63.800112.2G48 V53G48-M51 CarbonylContact C-O 3.35Å; G48-M51 VanDerWaalsContact C-O 3.3Å; G48-M51 CarbonylContact O-C 3.47Å; G48-M51 WeakPolarHBondContact O-CA 3.48Å; G48-M51 PolarHBondContact O-N 3.4Å; M51-V53 PolarHBondContact O-N 2.81Å
52E87.5Confident91.3Very high38 Ų3847.7 Ų47.718%0.17825%0.251CS..PPolyproline II helixtrans-75.3121.9175.9-58.2-168.4166.600111.3Q77 V84 S114 H115E52-Q77 VanDerWaalsContact C-NE2 3.32Å; E52-Q77 PolarHBondContact O-NE2 3.21Å; E52-V84 HydrophobicContact CB-CG2 4.47Å; E52-S114 VanDerWaalsContact CB-O 3.27Å; E52-S114 WeakPolarHBondContact CB-O 3.46Å; E52-S114 VanDerWaalsContact CG-O 3.25Å; E52-S114 WeakPolarHBondContact CG-O 3.18Å; E52-H115 VanDerWaalsContact CD-CD2 3.5Å; E52-H115 IonicContact OE1-CD2 3.97Å; E52-H115 PolarHBondContact OE1-CD2 3.44Å; E52-H115 IonicContact OE1-CG 3Å; E52-H115 IonicContact OE1-NE2 2.87Å; E52-H115 IonicContact OE2-CD2 2.67Å; E52-H115 IonicContact OE2-NE2 2.65Å
53V89.4Confident91.1Very high2 Ų249.4 Ų49.41%0.01226%0.26CS..PPolyproline II helixtrans-99151.1175.2-66.20000111.6M51 Q77 H113 S114M51-V53 PolarHBondContact O-N 2.81Å; V53-Q77 VanDerWaalsContact CA-NE2 3.28Å; V53-H113 CarbonylContact O-C 3.49Å; V53-H113 WeakPolarHBondContact O-CA 3.3Å; V53-H113 VanDerWaalsContact O-CB 3.29Å; V53-H113 WeakPolarHBondContact O-CB 3.44Å; V53-S114 WeakPolarHBondContact CG2-OG 3.31Å; V53-S114 PolarHBondContact N-OG 2.97Å; V53-S114 PolarHBondContact O-N 3.2Å
54M91Very high90.6Very high4 Ų447.1 Ų47.12%0.0226%0.256CS..EExtended strand (participates in β ladder)trans-121.8158.7170.483.816731.700112.6H44 M75 V84 V87 W111 Y112 H113H44-M54 PolarHBondContact CE1-O 3.43Å; H44-M54 VanDerWaalsContact CE1-O 3.27Å; M54-M75 HydrophobicContact CG-CB 4.03Å; M54-M75 HydrophobicContact CG-CG 4.5Å; M54-M75 PolarHBondContact O-N 3.42Å; M54-V84 HydrophobicContact CB-CB 4.38Å; M54-V84 HydrophobicContact CB-CG1 3.81Å; M54-V84 HydrophobicContact CB-CG2 4.29Å; M54-V84 HydrophobicContact CE-CB 3.34Å; M54-V84 HydrophobicContact CE-CG1 3.12Å; M54-V84 HydrophobicContact CE-CG2 4.27Å; M54-V84 HydrophobicContact CG-CB 4.41Å; M54-V84 HydrophobicContact CG-CG1 3.4Å; M54-V84 VanDerWaalsContact CG-CG1 3.4Å; M54-V84 HydrophobicContact SD-CB 4.35Å; M54-V84 HydrophobicContact SD-CG1 3.47Å; M54-V84 WeakPolarHBondContact SD-CG1 3.21Å; M54-V87 HydrophobicContact SD-CG2 3.92Å; M54-W111 HydrophobicContact CE-CE3 4.3Å; M54-W111 HydrophobicContact CE-CZ3 4.26Å; M54-Y112 CarbonylContact C-O 3.5Å; M54-Y112 VanDerWaalsContact CA-O 3.23Å; M54-Y112 WeakPolarHBondContact CA-O 3.46Å; M54-H113 HydrophobicContact CB-CB 4.22Å
55G92.7Very high90.3Very high0 Ų050.6 Ų50.60%027%0.268CS..EExtended strand (participates in β ladder)trans-154.317216600000112.4F73 W111 Y112G55-F73 CarbonylContact C-O 3.55Å; G55-F73 WeakPolarHBondContact CA-O 3.5Å; G55-W111 WeakPolarHBondContact O-CA 3.19Å; G55-W111 WeakPolarHBondContact O-CB 3.36Å; G55-Y112 PolarHBondContact N-O 3.29Å; G55-Y112 WeakPolarHBondContact O-CD1 3.35Å; G55-Y112 PolarHBondContact O-N 3.33Å
56L94.1Very high90.3Very high0 Ų051.7 Ų51.70%028%0.275CS..EExtended strand (participates in β ladder)trans-98.5143.1178.6-64.2179.5000110.3V72 F73 M75 Q92 V108 W111 F133L56-V72 WeakPolarHBondContact O-CA 3.4Å; L56-F73 HydrophobicContact CB-CD1 4.48Å; L56-F73 HydrophobicContact CB-CE1 3.89Å; L56-F73 HydrophobicContact CB-CE2 4.37Å; L56-F73 HydrophobicContact CB-CZ 3.84Å; L56-F73 HydrophobicContact CD1-CE1 4.47Å; L56-F73 HydrophobicContact CD1-CE2 4.22Å; L56-F73 HydrophobicContact CD1-CZ 3.71Å; L56-F73 HydrophobicContact CG-CZ 4.25Å; L56-F73 PolarHBondContact N-O 3.41Å; L56-F73 PolarHBondContact O-N 2.93Å; L56-F73 VanDerWaalsContact O-N 3.15Å; L56-M75 HydrophobicContact CD1-CG 4.47Å; L56-M75 HydrophobicContact CD1-SD 3.91Å; L56-M75 HydrophobicContact CG-CG 4.05Å; L56-M75 HydrophobicContact CG-SD 4.13Å; L56-Q92 HydrophobicContact CD1-CB 4.24Å; L56-Q92 HydrophobicContact CD1-CG 3.66Å; L56-V108 HydrophobicContact CB-CG1 4.46Å; L56-V108 HydrophobicContact CD2-CG1 4.33Å; L56-W111 HydrophobicContact CD2-CB 4.07Å; L56-F133 HydrophobicContact CD2-CE1 3.83Å; L56-F133 HydrophobicContact CD2-CZ 3.72Å
57M95.8Very high90.4Very high0 Ų044.2 Ų44.20%025%0.247CC..EExtended strand (participates in β ladder)trans-100.8128.1176.9-60.5-166.4-64.400110V69 V72 V108 V109 G110 W111 Y112 V141 V143M57-V69 HydrophobicContact CB-CG1 3.97Å; M57-V69 HydrophobicContact CB-CG2 4.46Å; M57-V69 HydrophobicContact CE-CG2 4.45Å; M57-V69 HydrophobicContact CG-CG1 4.29Å; M57-V69 HydrophobicContact SD-CG1 4.16Å; M57-V69 HydrophobicContact SD-CG2 4.03Å; M57-V72 HydrophobicContact CB-CG1 4.42Å; M57-V72 HydrophobicContact CG-CG1 4.01Å; M57-V108 WeakPolarHBondContact O-CA 3.41Å; M57-V109 HydrophobicContact CB-CG2 4.04Å; M57-V109 PolarHBondContact O-N 3.13Å; M57-G110 PolarHBondContact N-O 3.4Å; M57-W111 WeakPolarHBondContact CE-O 3.22Å; M57-Y112 HydrophobicContact CG-CD1 4.11Å; M57-V141 HydrophobicContact CE-CB 4.13Å; M57-V141 HydrophobicContact CE-CG1 4.43Å; M57-V141 VanDerWaalsContact CE-O 3.23Å; M57-V141 WeakPolarHBondContact CE-O 3.31Å; M57-V143 HydrophobicContact CE-CB 4.31Å; M57-V143 HydrophobicContact CE-CG2 3.64Å; M57-V143 HydrophobicContact SD-CB 4.01Å; M57-V143 HydrophobicContact SD-CG2 3.59Å; M57-V143 VanDerWaalsContact SD-CG2 3.59Å
58L95.2Very high90.7Very high3 Ų343.3 Ų43.32%0.01623%0.225CC..EExtended strand (participates in β ladder)trans-109.2137.2179.1-62.4178.1000110.5I70 D71 F73 L96 L99 E106 M107 V108L58-I70 PolarHBondContact O-N 3.08Å; L58-D71 WeakPolarHBondContact CA-O 3.26Å; L58-D71 PolarHBondContact N-O 2.92Å; L58-D71 PolarHBondContact O-N 2.92Å; L58-D71 VanDerWaalsContact O-N 3.07Å; L58-D71 VanDerWaalsContact O-O 3.12Å; L58-F73 HydrophobicContact CD1-CD1 3.73Å; L58-F73 HydrophobicContact CD1-CE1 3.83Å; L58-F73 HydrophobicContact CD2-CE1 4.03Å; L58-F73 HydrophobicContact CG-CD1 4.07Å; L58-F73 HydrophobicContact CG-CE1 3.96Å; L58-L96 HydrophobicContact CD2-CD2 3.67Å; L58-L99 HydrophobicContact CD1-CD1 3.4Å; L58-E106 HydrophobicContact CB-CB 4.16Å; L58-M107 WeakPolarHBondContact CA-O 3.43Å; L58-V108 HydrophobicContact CD2-CG2 3.9Å
59G94.8Very high91.1Very high1 Ų143 Ų431%0.0122%0.222CC..EExtended strand (participates in β ladder)trans172.8-142.3175.200000112R68 M107 V109G59-R68 VanDerWaalsContact CA-O 3.27Å; G59-R68 WeakPolarHBondContact CA-O 3.42Å; G59-M107 PolarHBondContact N-O 3.32Å; G59-M107 PolarHBondContact O-N 3.04Å; G59-V109 VanDerWaalsContact C-CG1 3.48Å
60E93.6Very high91.4Very high74 Ų7443.1 Ų43.135%0.34622%0.22SC..EExtended strand (participates in β ladder)trans-146.5146.2-173.460.1-173.4152.500111.4V62 R68 I70E60-V62 HydrophobicContact CG-CG2 4.48Å; E60-R68 VanDerWaalsContact CD-CZ 3.41Å; E60-R68 HydrophobicContact CG-CB 4.06Å; E60-R68 PolarHBondContact N-O 2.91Å; E60-R68 PolarHBondContact O-N 3.06Å; E60-R68 IonicContact OE1-CZ 3.59Å; E60-R68 IonicContact OE1-NE 2.63Å; E60-R68 PolarHBondContact OE1-NE 3.46Å; E60-R68 IonicContact OE1-NH1 3.83Å; E60-R68 IonicContact OE1-NH2 2.89Å; E60-R68 PolarHBondContact OE1-NH2 3.34Å; E60-R68 IonicContact OE2-CZ 3.37Å; E60-R68 IonicContact OE2-NH2 2.84Å; E60-R68 PolarHBondContact OE2-NH2 3.17Å; E60-I70 HydrophobicContact CG-CD1 4.33Å
61F92.8Very high91.8Very high49 Ų4937.9 Ų37.922%0.21519%0.186CC..EExtended strand (participates in β ladder)trans-88115.4168.2-60.8-71.1000107.8V67 M107 V109 R139F61-V67 HydrophobicContact CD1-CG1 4.12Å; F61-V67 HydrophobicContact CD1-CG2 4.01Å; F61-V67 HydrophobicContact CE1-CG1 3.96Å; F61-V67 HydrophobicContact CE1-CG2 4.09Å; F61-M107 HydrophobicContact CD2-CE 4.33Å; F61-M107 HydrophobicContact CD2-SD 4.19Å; F61-M107 HydrophobicContact CE2-CE 4.18Å; F61-M107 HydrophobicContact CE2-SD 4.49Å; F61-V109 HydrophobicContact CD2-CG1 4.21Å; F61-V109 HydrophobicContact CE1-CB 4.13Å; F61-V109 HydrophobicContact CE1-CG1 4.23Å; F61-V109 HydrophobicContact CE2-CB 4.29Å; F61-V109 HydrophobicContact CE2-CG1 3.86Å; F61-V109 HydrophobicContact CZ-CB 3.83Å; F61-V109 HydrophobicContact CZ-CG1 3.88Å; F61-R139 HydrophobicContact CD1-CB 4.16Å; F61-R139 HydrophobicContact CE1-CB 3.63Å; F61-R139 HydrophobicContact CZ-CB 4.06Å
62V90Very high92.3Very high71 Ų7133.4 Ų33.443%0.4316%0.164SC..EExtended strand (participates in β ladder)trans-84.1-51-174.3-173.90000111E60 T66 R68E60-V62 HydrophobicContact CG-CG2 4.48Å; V62-T66 HydrophobicContact CB-CG2 4.48Å; V62-T66 HydrophobicContact CG2-CG2 4.35Å; V62-T66 PolarHBondContact N-O 3.44Å; V62-R68 HydrophobicContact CG2-CB 4.31Å; V62-R68 HydrophobicContact CG2-CG 3.56Å; V62-R68 VanDerWaalsContact CG2-CZ 3.43Å
63D88.5Confident92.6Very high74 Ų7432.6 Ų32.640%0.39616%0.16SC..EExtended strand (participates in β ladder)trans-148.7-176.4178.860.718.2000107.7Y65 T66 R139D63-Y65 PolarHBondContact O-N 3.31Å; D63-Y65 PolarHBondContact OD1-N 3.25Å; D63-Y65 VanDerWaalsContact OD1-N 3.08Å; D63-T66 PolarHBondContact O-N 3.36Å; D63-T66 WeakPolarHBondContact OD1-CA 3.38Å; D63-T66 WeakPolarHBondContact OD1-CB 3.43Å; D63-T66 PolarHBondContact OD1-N 3.49Å; D63-T66 PolarHBondContact OD1-OG1 2.86Å; D63-T66 PolarHBondContact OD2-OG1 3.46Å; D63-R139 PolarHBondContact O-NH1 3.33Å; D63-R139 PolarHBondContact O-NH2 2.77Å
64D85.1Confident92.7Very high122 Ų12234.6 Ų34.665%0.65218%0.176SC*.THydrogen-bonded Turntrans-67.8-18.7-176.3-62.9-27.8000113.8R139D64-R139 VanDerWaalsContact C-NH2 3.29Å; D64-R139 PolarHBondContact O-NH2 3.04Å
65Y86.6Confident92.6Very high108 Ų10834.7 Ų34.742%0.42418%0.177SC..THydrogen-bonded Turntrans-106.9-9.5-175.4-55.6-69000113.7D26 E29 Q30 D63D26-Y65 HydrophobicContact CB-CD1 3.87Å; D26-Y65 HydrophobicContact CB-CE1 3.42Å; D26-Y65 VanDerWaalsContact CB-CE1 3.42Å; E29-Y65 CarbonylContact C-O 3.59Å; E29-Y65 VanDerWaalsContact CA-O 3.29Å; E29-Y65 WeakPolarHBondContact CA-O 3.34Å; E29-Y65 WeakPolarHBondContact CG-O 3.33Å; Q30-Y65 PolarHBondContact N-O 2.87Å; D63-Y65 PolarHBondContact O-N 3.31Å; D63-Y65 PolarHBondContact OD1-N 3.25Å; D63-Y65 VanDerWaalsContact OD1-N 3.08Å
66T90.9Very high92.1Very high24 Ų2438 Ų3815%0.14720%0.198CC..EExtended strand (participates in β ladder)trans-130.1117.3-168.9-49.50000112Y32 V62 D63 R68Y32-T66 HydrophobicContact CD2-CG2 3.34Å; Y32-T66 HydrophobicContact CE2-CG2 3.4Å; Y32-T66 VanDerWaalsContact CE2-CG2 3.4Å; V62-T66 HydrophobicContact CB-CG2 4.48Å; V62-T66 HydrophobicContact CG2-CG2 4.35Å; V62-T66 PolarHBondContact N-O 3.44Å; D63-T66 PolarHBondContact O-N 3.36Å; D63-T66 WeakPolarHBondContact OD1-CA 3.38Å; D63-T66 WeakPolarHBondContact OD1-CB 3.43Å; D63-T66 PolarHBondContact OD1-N 3.49Å; D63-T66 PolarHBondContact OD1-OG1 2.86Å; D63-T66 PolarHBondContact OD2-OG1 3.46Å; T66-R68 HydrophobicContact CG2-CG 4.37Å
67V94.3Very high90.9Very high0 Ų041.6 Ų41.60%022%0.215CC..EExtended strand (participates in β ladder)trans-105.4124.2170.7-173.20000108.8Q30 V31 Y32 F61 V109 V141Q30-V67 PolarHBondContact O-N 3.13Å; V31-V67 CarbonylContact C-O 3.55Å; V31-V67 WeakPolarHBondContact CA-O 3.33Å; V31-V67 HydrophobicContact CG2-CB 4.44Å; Y32-V67 PolarHBondContact N-O 3Å; F61-V67 HydrophobicContact CD1-CG1 4.12Å; F61-V67 HydrophobicContact CD1-CG2 4.01Å; F61-V67 HydrophobicContact CE1-CG1 3.96Å; F61-V67 HydrophobicContact CE1-CG2 4.09Å; V67-V109 HydrophobicContact CG1-CB 4.07Å; V67-V109 HydrophobicContact CG1-CG2 4.31Å; V67-V141 HydrophobicContact CG1-CG2 4.41Å; V67-V141 HydrophobicContact CG2-CG2 4.22Å
68R95.2Very high89.1Confident66 Ų6645.6 Ų45.625%0.24924%0.243CC..EExtended strand (participates in β ladder)trans-105117.4175.8-70-168.6-61.4-167.1-9.2110.2Y32 G59 E60 V62 T66Y32-R68 HydrophobicContact CD2-CG 4.48Å; G59-R68 VanDerWaalsContact CA-O 3.27Å; G59-R68 WeakPolarHBondContact CA-O 3.42Å; E60-R68 VanDerWaalsContact CD-CZ 3.41Å; E60-R68 HydrophobicContact CG-CB 4.06Å; E60-R68 PolarHBondContact N-O 2.91Å; E60-R68 PolarHBondContact O-N 3.06Å; E60-R68 IonicContact OE1-CZ 3.59Å; E60-R68 IonicContact OE1-NE 2.63Å; E60-R68 PolarHBondContact OE1-NE 3.46Å; E60-R68 IonicContact OE1-NH1 3.83Å; E60-R68 IonicContact OE1-NH2 2.89Å; E60-R68 PolarHBondContact OE1-NH2 3.34Å; E60-R68 IonicContact OE2-CZ 3.37Å; E60-R68 IonicContact OE2-NH2 2.84Å; E60-R68 PolarHBondContact OE2-NH2 3.17Å; V62-R68 HydrophobicContact CG2-CB 4.31Å; V62-R68 HydrophobicContact CG2-CG 3.56Å; V62-R68 VanDerWaalsContact CG2-CZ 3.43Å; T66-R68 HydrophobicContact CG2-CG 4.37Å
69V96.4Very high87.1Confident3 Ų348.6 Ų48.62%0.01828%0.275CS..EExtended strand (participates in β ladder)trans-97109.1171.4-177.20000108.6V31 Y32 S34 A37 M57 V72 V109V31-V69 HydrophobicContact CG1-CG2 3.98Å; Y32-V69 PolarHBondContact O-N 2.92Å; S34-V69 PolarHBondContact N-O 3.31Å; A37-V69 HydrophobicContact CB-CG1 4.13Å; M57-V69 HydrophobicContact CB-CG1 3.97Å; M57-V69 HydrophobicContact CB-CG2 4.46Å; M57-V69 HydrophobicContact CE-CG2 4.45Å; M57-V69 HydrophobicContact CG-CG1 4.29Å; M57-V69 HydrophobicContact SD-CG1 4.16Å; M57-V69 HydrophobicContact SD-CG2 4.03Å; V69-V72 HydrophobicContact CG1-CG1 4.11Å; V69-V109 HydrophobicContact CG2-CG2 4.01Å
70I94.1Very high85.1Confident57 Ų5752.8 Ų52.829%0.29230%0.3SS..EExtended strand (participates in β ladder)trans-91.7-45.7-175.9-61174.2000110.1S34 L58 E60 E106S34-I70 WeakPolarHBondContact CB-O 3.23Å; S34-I70 PolarHBondContact OG-O 3.1Å; L58-I70 PolarHBondContact O-N 3.08Å; E60-I70 HydrophobicContact CG-CD1 4.33Å; I70-E106 HydrophobicContact CD1-CG 4.06Å
71D95.1Very high83.2Confident6 Ų652.3 Ų52.33%0.03232%0.315CS..EExtended strand (participates in β ladder)trans-141.9164.1-179-161.623.1000112.1K40 L58 R104K40-D71 WeakPolarHBondContact CD-OD1 3.47Å; K40-D71 VanDerWaalsContact CE-OD1 3.28Å; K40-D71 WeakPolarHBondContact CE-OD1 3.41Å; K40-D71 IonicContact NZ-OD1 3.79Å; K40-D71 PolarHBondContact NZ-OD1 3.03Å; K40-D71 IonicContact NZ-OD2 3.65Å; K40-D71 PolarHBondContact NZ-OD2 3.14Å; L58-D71 WeakPolarHBondContact CA-O 3.26Å; L58-D71 PolarHBondContact N-O 2.92Å; L58-D71 PolarHBondContact O-N 2.92Å; L58-D71 VanDerWaalsContact O-N 3.07Å; L58-D71 VanDerWaalsContact O-O 3.12Å; D71-R104 IonicContact OD2-CZ 2.71Å; D71-R104 IonicContact OD2-NH1 2.75Å; D71-R104 PolarHBondContact OD2-NH1 3.13Å
72V95.4Very high81.2Confident0 Ų055.8 Ų55.80%034%0.34CS..EExtended strand (participates in β ladder)trans-135.9154.4172.7-56.10000110.1A37 K40 M41 L56 M57 V69 Y112A37-V72 HydrophobicContact CB-CG1 3.9Å; K40-V72 HydrophobicContact CB-CG2 3.41Å; K40-V72 VanDerWaalsContact CB-CG2 3.41Å; K40-V72 HydrophobicContact CD-CG2 3.91Å; K40-V72 VanDerWaalsContact CD-O 3.29Å; K40-V72 WeakPolarHBondContact CD-O 3.24Å; K40-V72 HydrophobicContact CG-CG2 4.35Å; K40-V72 PolarHBondContact NZ-O 2.96Å; K40-V72 VanDerWaalsContact NZ-O 3.13Å; M41-V72 HydrophobicContact CG-CB 4.49Å; M41-V72 HydrophobicContact CG-CG1 4.13Å; M41-V72 HydrophobicContact CG-CG2 3.95Å; M41-V72 HydrophobicContact SD-CG1 4.33Å; L56-V72 WeakPolarHBondContact O-CA 3.4Å; M57-V72 HydrophobicContact CB-CG1 4.42Å; M57-V72 HydrophobicContact CG-CG1 4.01Å; V69-V72 HydrophobicContact CG1-CG1 4.11Å; V72-Y112 HydrophobicContact CB-CD1 4.37Å; V72-Y112 HydrophobicContact CB-CE1 3.85Å; V72-Y112 HydrophobicContact CG1-CD1 4.36Å; V72-Y112 HydrophobicContact CG1-CE1 4.31Å; V72-Y112 HydrophobicContact CG2-CE1 4.18Å
73F93.9Very high79.5Confident21 Ų2153.8 Ų53.89%0.09233%0.329CS..EExtended strand (participates in β ladder)trans-136.5147.1166.667.8-87.9000111.1G55 L56 L58 M75 F91 M95 L99G55-F73 CarbonylContact C-O 3.55Å; G55-F73 WeakPolarHBondContact CA-O 3.5Å; L56-F73 HydrophobicContact CB-CD1 4.48Å; L56-F73 HydrophobicContact CB-CE1 3.89Å; L56-F73 HydrophobicContact CB-CE2 4.37Å; L56-F73 HydrophobicContact CB-CZ 3.84Å; L56-F73 HydrophobicContact CD1-CE1 4.47Å; L56-F73 HydrophobicContact CD1-CE2 4.22Å; L56-F73 HydrophobicContact CD1-CZ 3.71Å; L56-F73 HydrophobicContact CG-CZ 4.25Å; L56-F73 PolarHBondContact N-O 3.41Å; L56-F73 PolarHBondContact O-N 2.93Å; L56-F73 VanDerWaalsContact O-N 3.15Å; L58-F73 HydrophobicContact CD1-CD1 3.73Å; L58-F73 HydrophobicContact CD1-CE1 3.83Å; L58-F73 HydrophobicContact CD2-CE1 4.03Å; L58-F73 HydrophobicContact CG-CD1 4.07Å; L58-F73 HydrophobicContact CG-CE1 3.96Å; F73-M75 HydrophobicContact CD2-SD 4.34Å; F73-M75 HydrophobicContact CE2-SD 3.61Å; F73-M75 HydrophobicContact CZ-SD 4.44Å; F73-F91 HydrophobicContact CD2-CE1 4.28Å; F73-F91 HydrophobicContact CE2-CE1 4.1Å; F73-M95 HydrophobicContact CD1-CG 4.34Å; F73-M95 HydrophobicContact CD2-CE 4.33Å; F73-M95 HydrophobicContact CD2-CG 3.83Å; F73-M95 HydrophobicContact CE1-CG 4.24Å; F73-M95 HydrophobicContact CE2-CB 4.11Å; F73-M95 HydrophobicContact CE2-CG 3.72Å; F73-M95 HydrophobicContact CG-CG 4.13Å; F73-M95 HydrophobicContact CZ-CB 4.28Å; F73-M95 HydrophobicContact CZ-CG 3.92Å; F73-L99 HydrophobicContact CD1-CD1 4.33Å; F73-L99 HydrophobicContact CE1-CD1 4.47Å
74A92.1Very high78Confident44 Ų4451.4 Ų51.436%0.36432%0.317SS..EExtended strand (participates in β ladder)trans-73.5137.8178.400000110.3H44H44-A74 WeakPolarHBondContact CE1-CB 3.19Å; H44-A74 WeakPolarHBondContact ND1-CB 3.27Å
75M87.9Confident76.6Confident5 Ų550.9 Ų50.93%0.02531%0.311CS..PPolyproline II helixtrans-90.3139166.8-68.6-64.8-66.400109M54 L56 F73 Q77 V87 F91M54-M75 HydrophobicContact CG-CB 4.03Å; M54-M75 HydrophobicContact CG-CG 4.5Å; M54-M75 PolarHBondContact O-N 3.42Å; L56-M75 HydrophobicContact CD1-CG 4.47Å; L56-M75 HydrophobicContact CD1-SD 3.91Å; L56-M75 HydrophobicContact CG-CG 4.05Å; L56-M75 HydrophobicContact CG-SD 4.13Å; F73-M75 HydrophobicContact CD2-SD 4.34Å; F73-M75 HydrophobicContact CE2-SD 3.61Å; F73-M75 HydrophobicContact CZ-SD 4.44Å; M75-Q77 PolarHBondContact O-N 3.46Å; M75-V87 HydrophobicContact CE-CG1 3.99Å; M75-F91 HydrophobicContact CE-CB 4.39Å; M75-F91 HydrophobicContact CE-CD1 3.69Å; M75-F91 HydrophobicContact CE-CE1 4.49Å; M75-F91 HydrophobicContact CE-CG 4.44Å; M75-F91 HydrophobicContact SD-CD1 3.6Å; M75-F91 VanDerWaalsContact SD-CD1 3.6Å; M75-F91 HydrophobicContact SD-CE1 3.88Å
76P81.6Confident75.1Confident69 Ų6949.2 Ų49.245%0.44832%0.32SS..PPolyproline II helixtrans-63.3132.5172.226.8-32.4000109.3F91P76-F91 VanDerWaalsContact CD-CE1 3.48Å; P76-F91 HydrophobicContact CG-CD1 4.28Å; P76-F91 HydrophobicContact CG-CD2 3.98Å; P76-F91 HydrophobicContact CG-CE1 4.36Å; P76-F91 HydrophobicContact CG-CE2 4.07Å; P76-F91 HydrophobicContact CG-CG 4.09Å; P76-F91 HydrophobicContact CG-CZ 4.25Å
77Q70Confident73.9Confident76 Ų7649.9 Ų49.936%0.35532%0.324SS..PPolyproline II helixtrans-81.1128.9178.4-66.8172.1-45.500110.3E52 V53 M75E52-Q77 VanDerWaalsContact C-NE2 3.32Å; E52-Q77 PolarHBondContact O-NE2 3.21Å; V53-Q77 VanDerWaalsContact CA-NE2 3.28Å; M75-Q77 PolarHBondContact O-N 3.46Å
78S58.5Low73.2Confident85 Ų8553.1 Ų53.159%0.59434%0.341SS*.  trans-91102.5159.1-66.60000107.1T80S78-T80 PolarHBondContact O-N 3.01Å
79G53Low72.6Confident66 Ų6654.2 Ų54.268%0.6836%0.357SS*.EExtended strand (participates in β ladder)trans-76.1122.9-164.600000115.1
80T51.7Low72.2Confident88 Ų8859 Ų5954%0.5439%0.386SS..EExtended strand (participates in β ladder)trans-138.872.1152.635.80000110.1S78 V82S78-T80 PolarHBondContact O-N 3.01Å; T80-V82 VanDerWaalsContact C-N 3.27Å; T80-V82 PolarHBondContact O-N 2.73Å
81G54.3Low71.9Confident64 Ų6459.3 Ų59.366%0.6639%0.385SS*.THydrogen-bonded Turntrans67.1-37.3152.400000120.5
82V51.1Low71.6Confident122 Ų12261.2 Ų61.274%0.73939%0.394SS*.THydrogen-bonded Turntrans-153.2-14.7-168.7-161.70000113.6T80T80-V82 VanDerWaalsContact C-N 3.27Å; T80-V82 PolarHBondContact O-N 2.73Å
83S54Low71.3Confident29 Ų2963.6 Ų63.620%0.20341%0.413CS..EExtended strand (participates in β ladder)trans-126.4143.2179.8490000111.4E85S83-E85 PolarHBondContact O-N 3.08Å; S83-E85 PolarHBondContact OG-OE1 3.29Å
84V56.4Low71.2Confident24 Ų2469.5 Ų69.515%0.14544%0.439CS..EExtended strand (participates in β ladder)trans-89.685.3174.7-162.10000109.6E52 M54E52-V84 HydrophobicContact CB-CG2 4.47Å; M54-V84 HydrophobicContact CB-CB 4.38Å; M54-V84 HydrophobicContact CB-CG1 3.81Å; M54-V84 HydrophobicContact CB-CG2 4.29Å; M54-V84 HydrophobicContact CE-CB 3.34Å; M54-V84 HydrophobicContact CE-CG1 3.12Å; M54-V84 HydrophobicContact CE-CG2 4.27Å; M54-V84 HydrophobicContact CG-CB 4.41Å; M54-V84 HydrophobicContact CG-CG1 3.4Å; M54-V84 VanDerWaalsContact CG-CG1 3.4Å; M54-V84 HydrophobicContact SD-CB 4.35Å; M54-V84 HydrophobicContact SD-CG1 3.47Å; M54-V84 WeakPolarHBondContact SD-CG1 3.21Å
85E55.3Low71.2Confident111 Ų11169.9 Ų69.952%0.51943%0.434SS..  trans-90.2122.5-178.9-72.5173.6-167.500110.4S83S83-E85 PolarHBondContact O-N 3.08Å; S83-E85 PolarHBondContact OG-OE1 3.29Å
86A56.7Low71.4Confident74 Ų7471.1 Ų71.161%0.61244%0.44SS*.  trans80.295.217300000116.8D88A86-D88 PolarHBondContact O-N 2.85Å; A86-D88 VanDerWaalsContact O-N 3.15Å
87V65.5Low71.9Confident38 Ų3871.8 Ų71.823%0.2344%0.44CS..  trans-58.7110.9148.3179.30000106.9M54 M75 P89 F133M54-V87 HydrophobicContact SD-CG2 3.92Å; M75-V87 HydrophobicContact CE-CG1 3.99Å; V87-P89 WeakPolarHBondContact O-CD 3.37Å; V87-F133 HydrophobicContact CG2-CE2 4.09Å; V87-F133 HydrophobicContact CG2-CZ 3.68Å
88D79.3Confident73Confident68 Ų6873.1 Ų73.136%0.36445%0.448SS..  trans-73.4109.3172.9177.16.9000109.4A86 V90 F91 Q92A86-D88 PolarHBondContact O-N 2.85Å; A86-D88 VanDerWaalsContact O-N 3.15Å; D88-V90 PolarHBondContact O-N 2.95Å; D88-V90 VanDerWaalsContact OD1-CB 3.27Å; D88-V90 WeakPolarHBondContact OD1-CB 3.36Å; D88-V90 PolarHBondContact OD1-N 3.41Å; D88-F91 HydrophobicContact CB-CB 3.94Å; D88-F91 PolarHBondContact O-N 2.97Å; D88-F91 PolarHBondContact OD2-N 3.36Å; D88-Q92 PolarHBondContact O-N 3.21Å
89P82.4Confident74.7Confident89 Ų8970.3 Ų70.358%0.57843%0.426SS*.Hα-helixtrans-64.3-25.9-179.428.4-35.2000111.9V87 A93V87-P89 WeakPolarHBondContact O-CD 3.37Å; P89-A93 VanDerWaalsContact O-CB 3.28Å; P89-A93 WeakPolarHBondContact O-CB 3.34Å; P89-A93 PolarHBondContact O-N 2.89Å
90V87.7Confident76.6Confident103 Ų10373 Ų7362%0.62442%0.419SS*.Hα-helixtrans-69.6-46.3177.6-176.60000109.9D88 K94D88-V90 PolarHBondContact O-N 2.95Å; D88-V90 VanDerWaalsContact OD1-CB 3.27Å; D88-V90 WeakPolarHBondContact OD1-CB 3.36Å; D88-V90 PolarHBondContact OD1-N 3.41Å; V90-K94 VanDerWaalsContact O-CB 3.29Å; V90-K94 WeakPolarHBondContact O-CB 3.22Å; V90-K94 PolarHBondContact O-N 3.43Å
91F88.3Confident78.6Confident64 Ų6476.6 Ų76.628%0.28143%0.43SS..Hα-helixtrans-61.6-46.2174.7-175.9-90.7000111.5F73 M75 P76 D88 K94 M95F73-F91 HydrophobicContact CD2-CE1 4.28Å; F73-F91 HydrophobicContact CE2-CE1 4.1Å; M75-F91 HydrophobicContact CE-CB 4.39Å; M75-F91 HydrophobicContact CE-CD1 3.69Å; M75-F91 HydrophobicContact CE-CE1 4.49Å; M75-F91 HydrophobicContact CE-CG 4.44Å; M75-F91 HydrophobicContact SD-CD1 3.6Å; M75-F91 VanDerWaalsContact SD-CD1 3.6Å; M75-F91 HydrophobicContact SD-CE1 3.88Å; P76-F91 VanDerWaalsContact CD-CE1 3.48Å; P76-F91 HydrophobicContact CG-CD1 4.28Å; P76-F91 HydrophobicContact CG-CD2 3.98Å; P76-F91 HydrophobicContact CG-CE1 4.36Å; P76-F91 HydrophobicContact CG-CE2 4.07Å; P76-F91 HydrophobicContact CG-CG 4.09Å; P76-F91 HydrophobicContact CG-CZ 4.25Å; D88-F91 HydrophobicContact CB-CB 3.94Å; D88-F91 PolarHBondContact O-N 2.97Å; D88-F91 PolarHBondContact OD2-N 3.36Å; F91-K94 PolarHBondContact O-N 3.49Å; F91-M95 HydrophobicContact CE1-CE 3.98Å; F91-M95 HydrophobicContact CE2-CE 4.46Å; F91-M95 HydrophobicContact CZ-CE 3.61Å; F91-M95 VanDerWaalsContact O-CB 3.31Å; F91-M95 WeakPolarHBondContact O-CB 3.35Å; F91-M95 PolarHBondContact O-N 3.43Å
92Q87.9Confident80.5Confident46 Ų4678.2 Ų78.222%0.21543%0.426CS..Hα-helixtrans-58.8-51.7178.3177.5-178.8-19.700111.7L56 D88 K94 M95 L96L56-Q92 HydrophobicContact CD1-CB 4.24Å; L56-Q92 HydrophobicContact CD1-CG 3.66Å; D88-Q92 PolarHBondContact O-N 3.21Å; Q92-K94 PolarHBondContact O-N 3.44Å; Q92-M95 PolarHBondContact O-N 3.08Å; Q92-L96 HydrophobicContact CG-CD1 3.89Å; Q92-L96 HydrophobicContact CG-CG 4.43Å; Q92-L96 WeakPolarHBondContact O-CB 3.26Å; Q92-L96 VanDerWaalsContact O-CG 3.27Å; Q92-L96 WeakPolarHBondContact O-CG 3.2Å; Q92-L96 PolarHBondContact O-N 2.64Å
93A89.4Confident82.4Confident50 Ų5075.3 Ų75.341%0.41342%0.421SS..Hα-helixtrans-61-46-178.800000111.5P89 M95 L96 D97P89-A93 VanDerWaalsContact O-CB 3.28Å; P89-A93 WeakPolarHBondContact O-CB 3.34Å; P89-A93 PolarHBondContact O-N 2.89Å; A93-M95 PolarHBondContact O-N 2.99Å; A93-L96 PolarHBondContact O-N 3.41Å; A93-D97 PolarHBondContact O-N 3.39Å
94K92.9Very high84.2Confident145 Ų14578.3 Ų78.363%0.6343%0.428SS*.Hα-helixtrans-61.6-44.1177.9-174.9177.4179.6-179.90112.1V90 F91 Q92 D97 M98V90-K94 VanDerWaalsContact O-CB 3.29Å; V90-K94 WeakPolarHBondContact O-CB 3.22Å; V90-K94 PolarHBondContact O-N 3.43Å; F91-K94 PolarHBondContact O-N 3.49Å; Q92-K94 PolarHBondContact O-N 3.44Å; K94-D97 PolarHBondContact O-N 3.26Å; K94-M98 WeakPolarHBondContact O-CG 3.21Å; K94-M98 PolarHBondContact O-N 3Å
95M91.6Very high85.9Confident51 Ų5182.2 Ų82.225%0.25145%0.454SS..Hα-helixtrans-64.4-44.5178.3-176.966.379.400111.4F73 F91 Q92 A93 D97 M98 L99F73-M95 HydrophobicContact CD1-CG 4.34Å; F73-M95 HydrophobicContact CD2-CE 4.33Å; F73-M95 HydrophobicContact CD2-CG 3.83Å; F73-M95 HydrophobicContact CE1-CG 4.24Å; F73-M95 HydrophobicContact CE2-CB 4.11Å; F73-M95 HydrophobicContact CE2-CG 3.72Å; F73-M95 HydrophobicContact CG-CG 4.13Å; F73-M95 HydrophobicContact CZ-CB 4.28Å; F73-M95 HydrophobicContact CZ-CG 3.92Å; F91-M95 HydrophobicContact CE1-CE 3.98Å; F91-M95 HydrophobicContact CE2-CE 4.46Å; F91-M95 HydrophobicContact CZ-CE 3.61Å; F91-M95 VanDerWaalsContact O-CB 3.31Å; F91-M95 WeakPolarHBondContact O-CB 3.35Å; F91-M95 PolarHBondContact O-N 3.43Å; Q92-M95 PolarHBondContact O-N 3.08Å; A93-M95 PolarHBondContact O-N 2.99Å; M95-D97 VanDerWaalsContact C-N 3.32Å; M95-D97 PolarHBondContact O-N 3.39Å; M95-M98 PolarHBondContact O-N 2.95Å; M95-L99 HydrophobicContact CG-CD1 4.04Å; M95-L99 HydrophobicContact CG-CG 4.48Å; M95-L99 VanDerWaalsContact O-CG 3.31Å; M95-L99 WeakPolarHBondContact O-CG 3.43Å; M95-L99 PolarHBondContact O-N 2.83Å
96L90.8Very high87.6Confident31 Ų3179.3 Ų79.316%0.16244%0.44CS..Hα-helixtrans-60.6-41.2177-72.3173.5000111.7L58 Q92 A93 L99 K100 V108L58-L96 HydrophobicContact CD2-CD2 3.67Å; Q92-L96 HydrophobicContact CG-CD1 3.89Å; Q92-L96 HydrophobicContact CG-CG 4.43Å; Q92-L96 WeakPolarHBondContact O-CB 3.26Å; Q92-L96 VanDerWaalsContact O-CG 3.27Å; Q92-L96 WeakPolarHBondContact O-CG 3.2Å; Q92-L96 PolarHBondContact O-N 2.64Å; A93-L96 PolarHBondContact O-N 3.41Å; L96-L99 PolarHBondContact O-N 3.01Å; L96-K100 WeakPolarHBondContact O-CG 3.25Å; L96-K100 PolarHBondContact O-N 3.46Å; L96-V108 HydrophobicContact CD1-CG2 4.18Å; L96-V108 HydrophobicContact CD2-CG2 4.22Å
97D92.9Very high89.2Confident83 Ų8380.8 Ų80.844%0.44444%0.436SS..Hα-helixtrans-67.8-36.9177.1-75.4-13.3000112.6A93 K94 M95 K100 Q101A93-D97 PolarHBondContact O-N 3.39Å; K94-D97 PolarHBondContact O-N 3.26Å; M95-D97 VanDerWaalsContact C-N 3.32Å; M95-D97 PolarHBondContact O-N 3.39Å; D97-K100 IonicContact OD1-NZ 3.81Å; D97-Q101 WeakPolarHBondContact O-CG 3.38Å; D97-Q101 PolarHBondContact O-N 3.44Å
98M93.7Very high90.5Very high105 Ų10580.3 Ų80.352%0.51743%0.433SS..Hα-helixtrans-64.7-41.3172.6-70.9-176.772.400111.7K94 M95 Q101 T102K94-M98 WeakPolarHBondContact O-CG 3.21Å; K94-M98 PolarHBondContact O-N 3Å; M95-M98 PolarHBondContact O-N 2.95Å; M98-Q101 PolarHBondContact O-N 3.34Å; M98-T102 PolarHBondContact O-N 3.29Å
99L93.8Very high91.3Very high25 Ų2577.1 Ų77.113%0.13142%0.416CS..Hα-helixtrans-65.4-41.7178-71.2170000111.7L58 F73 M95 L96 Q101 T102 G103 R104L58-L99 HydrophobicContact CD1-CD1 3.4Å; F73-L99 HydrophobicContact CD1-CD1 4.33Å; F73-L99 HydrophobicContact CE1-CD1 4.47Å; M95-L99 HydrophobicContact CG-CD1 4.04Å; M95-L99 HydrophobicContact CG-CG 4.48Å; M95-L99 VanDerWaalsContact O-CG 3.31Å; M95-L99 WeakPolarHBondContact O-CG 3.43Å; M95-L99 PolarHBondContact O-N 2.83Å; L96-L99 PolarHBondContact O-N 3.01Å; L99-Q101 VanDerWaalsContact C-N 3.27Å; L99-Q101 PolarHBondContact O-N 2.98Å; L99-T102 WeakPolarHBondContact O-CA 3.34Å; L99-T102 PolarHBondContact O-N 3.49Å; L99-T102 PolarHBondContact O-OG1 3Å; L99-G103 PolarHBondContact O-N 3.28Å; L99-R104 CarbonylContact C-O 3.55Å; L99-R104 HydrophobicContact CB-CB 4.13Å; L99-R104 WeakPolarHBondContact O-CB 3.25Å; L99-R104 PolarHBondContact O-N 2.92Å
100K92.6Very high91.8Very high122 Ų12272.9 Ų72.953%0.5339%0.389SS..Hα-helixtrans-55.2-41.5173.7-75.5172.6-173.91680112.4L96 D97 T102 G103 R104L96-K100 WeakPolarHBondContact O-CG 3.25Å; L96-K100 PolarHBondContact O-N 3.46Å; D97-K100 IonicContact OD1-NZ 3.81Å; K100-T102 PolarHBondContact O-N 3.25Å; K100-G103 PolarHBondContact O-N 3.4Å; K100-G103 VanDerWaalsContact O-N 3.13Å; K100-R104 WeakPolarHBondContact CA-O 3.31Å; K100-R104 PolarHBondContact N-O 3.48Å
101Q94Very high92.1Very high165 Ų16568 Ų6877%0.77136%0.359SS*.Hα-helixtrans-65-27.9177-67.7171.930.700113D97 M98 L99 G103D97-Q101 WeakPolarHBondContact O-CG 3.38Å; D97-Q101 PolarHBondContact O-N 3.44Å; M98-Q101 PolarHBondContact O-N 3.34Å; L99-Q101 VanDerWaalsContact C-N 3.27Å; L99-Q101 PolarHBondContact O-N 2.98Å; Q101-G103 PolarHBondContact O-N 3.36Å
102T93.4Very high92.5Very high97 Ų9765.2 Ų65.260%0.59535%0.347SS*.THydrogen-bonded Turntrans-83.75.9176.164.70000114M98 L99 K100M98-T102 PolarHBondContact O-N 3.29Å; L99-T102 WeakPolarHBondContact O-CA 3.34Å; L99-T102 PolarHBondContact O-N 3.49Å; L99-T102 PolarHBondContact O-OG1 3Å; K100-T102 PolarHBondContact O-N 3.25Å
103G92Very high92.7Very high61 Ų6163 Ų6363%0.62934%0.336SS*.THydrogen-bonded Turntrans81.724.5-177.600000113.8L99 K100 Q101 P105L99-G103 PolarHBondContact O-N 3.28Å; K100-G103 PolarHBondContact O-N 3.4Å; K100-G103 VanDerWaalsContact O-N 3.13Å; Q101-G103 PolarHBondContact O-N 3.36Å; G103-P105 VanDerWaalsContact O-CD 3.3Å; G103-P105 WeakPolarHBondContact O-CD 3.33Å
104R92.1Very high92.9Very high93 Ų9360.7 Ų60.735%0.35132%0.317SS..  trans-112.984.7176.1-71-175.9-175.6-149.4-2.7110.4D71 L99 K100 E106D71-R104 IonicContact OD2-CZ 2.71Å; D71-R104 IonicContact OD2-NH1 2.75Å; D71-R104 PolarHBondContact OD2-NH1 3.13Å; L99-R104 CarbonylContact C-O 3.55Å; L99-R104 HydrophobicContact CB-CB 4.13Å; L99-R104 WeakPolarHBondContact O-CB 3.25Å; L99-R104 PolarHBondContact O-N 2.92Å; K100-R104 WeakPolarHBondContact CA-O 3.31Å; K100-R104 PolarHBondContact N-O 3.48Å; R104-E106 WeakPolarHBondContact CA-OE2 3.45Å; R104-E106 WeakPolarHBondContact CB-OE2 3.49Å; R104-E106 PolarHBondContact O-N 2.83Å
105P90.8Very high92.8Very high105 Ų10553.8 Ų53.868%0.68229%0.287SS*.  trans-85.812.9-176.937.1-37.2000113.5G103G103-P105 VanDerWaalsContact O-CD 3.3Å; G103-P105 WeakPolarHBondContact O-CD 3.33Å
106E91.6Very high92.7Very high50 Ų5052 Ų5223%0.23428%0.279CS..PPolyproline II helixtrans-62.8148.8-175.8-62.484.7171.500112.5L58 I70 R104L58-E106 HydrophobicContact CB-CB 4.16Å; I70-E106 HydrophobicContact CD1-CG 4.06Å; R104-E106 WeakPolarHBondContact CA-OE2 3.45Å; R104-E106 WeakPolarHBondContact CB-OE2 3.49Å; R104-E106 PolarHBondContact O-N 2.83Å
107M90.8Very high92.6Very high105 Ų10552.1 Ų52.152%0.51729%0.288SS..EExtended strand (participates in β ladder)trans-96.4163.7176.765-170.5-64.400111.3L58 G59 F61 V109L58-M107 WeakPolarHBondContact CA-O 3.43Å; G59-M107 PolarHBondContact N-O 3.32Å; G59-M107 PolarHBondContact O-N 3.04Å; F61-M107 HydrophobicContact CD2-CE 4.33Å; F61-M107 HydrophobicContact CD2-SD 4.19Å; F61-M107 HydrophobicContact CE2-CE 4.18Å; F61-M107 HydrophobicContact CE2-SD 4.49Å; M107-V109 HydrophobicContact CG-CG1 4.42Å; M107-V109 PolarHBondContact O-N 3.29Å
108V93.1Very high92.2Very high29 Ų2953.9 Ų53.918%0.17629%0.292CS..EExtended strand (participates in β ladder)trans-73.9119.7174.1-1760000108.6L56 M57 L58 L96 G110L56-V108 HydrophobicContact CB-CG1 4.46Å; L56-V108 HydrophobicContact CD2-CG1 4.33Å; M57-V108 WeakPolarHBondContact O-CA 3.41Å; L58-V108 HydrophobicContact CD2-CG2 3.9Å; L96-V108 HydrophobicContact CD1-CG2 4.18Å; L96-V108 HydrophobicContact CD2-CG2 4.22Å; V108-G110 WeakPolarHBondContact CG1-O 3.44Å
109V94.5Very high92Very high0 Ų049.2 Ų49.20%027%0.27CS..EExtended strand (participates in β ladder)trans-103.5-7.6179.7-64.80000112.8M57 G59 F61 V67 V69 M107 V141M57-V109 HydrophobicContact CB-CG2 4.04Å; M57-V109 PolarHBondContact O-N 3.13Å; G59-V109 VanDerWaalsContact C-CG1 3.48Å; F61-V109 HydrophobicContact CD2-CG1 4.21Å; F61-V109 HydrophobicContact CE1-CB 4.13Å; F61-V109 HydrophobicContact CE1-CG1 4.23Å; F61-V109 HydrophobicContact CE2-CB 4.29Å; F61-V109 HydrophobicContact CE2-CG1 3.86Å; F61-V109 HydrophobicContact CZ-CB 3.83Å; F61-V109 HydrophobicContact CZ-CG1 3.88Å; V67-V109 HydrophobicContact CG1-CB 4.07Å; V67-V109 HydrophobicContact CG1-CG2 4.31Å; V69-V109 HydrophobicContact CG2-CG2 4.01Å; M107-V109 HydrophobicContact CG-CG1 4.42Å; M107-V109 PolarHBondContact O-N 3.29Å; V109-V141 PolarHBondContact O-N 3.26Å
110G94.4Very high91.9Very high1 Ų148.4 Ų48.41%0.0127%0.267CS..EExtended strand (participates in β ladder)trans164.2-164.7179.600000111.8M57 V108 V141M57-G110 PolarHBondContact N-O 3.4Å; V108-G110 WeakPolarHBondContact CG1-O 3.44Å; G110-V141 VanDerWaalsContact CA-O 3.29Å; G110-V141 WeakPolarHBondContact CA-O 3.23Å
111W94.6Very high91.9Very high1 Ų144.6 Ų44.60%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-138.7157.6179.567.1-70.8000110M54 G55 L56 M57 H113 D126 T129 Q130 F133 V141 A142 V143M54-W111 HydrophobicContact CE-CE3 4.3Å; M54-W111 HydrophobicContact CE-CZ3 4.26Å; G55-W111 WeakPolarHBondContact O-CA 3.19Å; G55-W111 WeakPolarHBondContact O-CB 3.36Å; L56-W111 HydrophobicContact CD2-CB 4.07Å; M57-W111 WeakPolarHBondContact CE-O 3.22Å; W111-H113 HydrophobicContact CE3-CB 4.3Å; W111-H113 AromaticContact CE3-ND1 3.79Å; W111-H113 AromaticContact CH2-CE1 3.64Å; W111-H113 AromaticContact CH2-ND1 3.28Å; W111-H113 VanDerWaalsContact CH2-ND1 3.28Å; W111-H113 WeakPolarHBondContact CH2-ND1 3.29Å; W111-H113 HydrophobicContact CZ3-CB 3.83Å; W111-H113 AromaticContact CZ3-CE1 3.89Å; W111-H113 AromaticContact CZ3-CG 3.64Å; W111-H113 AromaticContact CZ3-ND1 3.07Å; W111-H113 WeakPolarHBondContact CZ3-ND1 3.43Å; W111-D126 HydrophobicContact CH2-CB 4.12Å; W111-T129 HydrophobicContact CH2-CG2 4.07Å; W111-T129 HydrophobicContact CZ2-CG2 4.02Å; W111-T129 HydrophobicContact CZ3-CG2 4.37Å; W111-Q130 HydrophobicContact CZ2-CB 4.17Å; W111-F133 HydrophobicContact CB-CE2 4.11Å; W111-F133 HydrophobicContact CB-CZ 4.14Å; W111-F133 AromaticContact CD1-CD2 3.47Å; W111-F133 VanDerWaalsContact CD1-CD2 3.47Å; W111-F133 AromaticContact CD1-CE2 3.8Å; W111-F133 AromaticContact CD1-CG 3.89Å; W111-F133 HydrophobicContact CD2-CD2 4.37Å; W111-F133 HydrophobicContact CD2-CE2 4.16Å; W111-F133 AromaticContact CG-CD2 3.92Å; W111-F133 HydrophobicContact CG-CD2 3.92Å; W111-F133 AromaticContact CG-CE2 3.76Å; W111-F133 HydrophobicContact CG-CE2 3.76Å; W111-F133 HydrophobicContact CG-CZ 4.28Å; W111-F133 AromaticContact NE1-CD2 3.69Å; W111-V141 PolarHBondContact N-O 2.8Å; W111-V141 VanDerWaalsContact O-O 3.14Å; W111-A142 HydrophobicContact CZ2-CB 4.16Å; W111-A142 WeakPolarHBondContact O-CA 3.38Å; W111-V143 PolarHBondContact O-N 3.1Å
112Y95.2Very high91.7Very high4 Ų436.8 Ų36.82%0.01621%0.213CC..EExtended strand (participates in β ladder)trans-128.2152.9174.678.9-82.3000110.2M41 H44 M54 G55 M57 V72 V143M41-Y112 HydrophobicContact CB-CD2 4.17Å; M41-Y112 HydrophobicContact CB-CE2 3.95Å; M41-Y112 HydrophobicContact CG-CD1 4.1Å; M41-Y112 HydrophobicContact CG-CD2 3.7Å; M41-Y112 HydrophobicContact CG-CE1 4.06Å; M41-Y112 HydrophobicContact CG-CE2 3.66Å; M41-Y112 HydrophobicContact CG-CG 3.91Å; M41-Y112 HydrophobicContact SD-CD1 4.24Å; M41-Y112 HydrophobicContact SD-CD2 3.99Å; M41-Y112 HydrophobicContact SD-CG 3.81Å; H44-Y112 AromaticContact ND1-CZ 3.76Å; H44-Y112 PolarHBondContact ND1-OH 3.37Å; M54-Y112 CarbonylContact C-O 3.5Å; M54-Y112 VanDerWaalsContact CA-O 3.23Å; M54-Y112 WeakPolarHBondContact CA-O 3.46Å; G55-Y112 PolarHBondContact N-O 3.29Å; G55-Y112 WeakPolarHBondContact O-CD1 3.35Å; G55-Y112 PolarHBondContact O-N 3.33Å; M57-Y112 HydrophobicContact CG-CD1 4.11Å; V72-Y112 HydrophobicContact CB-CD1 4.37Å; V72-Y112 HydrophobicContact CB-CE1 3.85Å; V72-Y112 HydrophobicContact CG1-CD1 4.36Å; V72-Y112 HydrophobicContact CG1-CE1 4.31Å; V72-Y112 HydrophobicContact CG2-CE1 4.18Å; Y112-V143 CarbonylContact C-O 3.59Å; Y112-V143 WeakPolarHBondContact CA-O 3.26Å; Y112-V143 WeakPolarHBondContact CB-O 3.38Å
113H93.3Very high91.6Very high0 Ų033.5 Ų33.50%019%0.194CC..EExtended strand (participates in β ladder)trans-143.1170.6168.865.3-81.5000111.6V53 M54 W111 H115 D126 V143 V144 V145V53-H113 CarbonylContact O-C 3.49Å; V53-H113 WeakPolarHBondContact O-CA 3.3Å; V53-H113 VanDerWaalsContact O-CB 3.29Å; V53-H113 WeakPolarHBondContact O-CB 3.44Å; M54-H113 HydrophobicContact CB-CB 4.22Å; W111-H113 HydrophobicContact CE3-CB 4.3Å; W111-H113 AromaticContact CE3-ND1 3.79Å; W111-H113 AromaticContact CH2-CE1 3.64Å; W111-H113 AromaticContact CH2-ND1 3.28Å; W111-H113 VanDerWaalsContact CH2-ND1 3.28Å; W111-H113 WeakPolarHBondContact CH2-ND1 3.29Å; W111-H113 HydrophobicContact CZ3-CB 3.83Å; W111-H113 AromaticContact CZ3-CE1 3.89Å; W111-H113 AromaticContact CZ3-CG 3.64Å; W111-H113 AromaticContact CZ3-ND1 3.07Å; W111-H113 WeakPolarHBondContact CZ3-ND1 3.43Å; H113-H115 AromaticContact CD2-CD2 3.44Å; H113-H115 PolarHBondContact CD2-CD2 2.96Å; H113-H115 VanDerWaalsContact CD2-CD2 3.44Å; H113-H115 AromaticContact CD2-NE2 3.35Å; H113-H115 PolarHBondContact CD2-NE2 3.4Å; H113-H115 VanDerWaalsContact CD2-NE2 3.35Å; H113-H115 AromaticContact NE2-CD2 3.6Å; H113-H115 AromaticContact NE2-CE1 3.64Å; H113-H115 AromaticContact NE2-NE2 3.09Å; H113-H115 PolarHBondContact NE2-NE2 3.41Å; H113-D126 IonicContact CE1-OD1 3.94Å; H113-D126 IonicContact NE2-OD1 3.64Å; H113-D126 IonicContact NE2-OD2 3.16Å; H113-V143 PolarHBondContact N-O 3.48Å; H113-V144 WeakPolarHBondContact O-CA 3.43Å; H113-V145 PolarHBondContact O-N 3.31Å
114S92Very high91.4Very high1 Ų133 Ų331%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-111.5136.4179.266.40000112.3E52 V53 P116 V145E52-S114 VanDerWaalsContact CB-O 3.27Å; E52-S114 WeakPolarHBondContact CB-O 3.46Å; E52-S114 VanDerWaalsContact CG-O 3.25Å; E52-S114 WeakPolarHBondContact CG-O 3.18Å; V53-S114 WeakPolarHBondContact CG2-OG 3.31Å; V53-S114 PolarHBondContact N-OG 2.97Å; V53-S114 PolarHBondContact O-N 3.2Å; S114-P116 WeakPolarHBondContact O-CD 3.49Å; S114-V145 WeakPolarHBondContact CA-O 3.5Å; S114-V145 WeakPolarHBondContact CB-O 3.35Å
115H91.5Very high91.2Very high1 Ų131.6 Ų31.61%0.00519%0.19CC..  trans-112.993.1167.1-77.9-176.5000108.9E52 H113 G117 F118 G119 W121 D126 V144 V145 D146E52-H115 VanDerWaalsContact CD-CD2 3.5Å; E52-H115 IonicContact OE1-CD2 3.97Å; E52-H115 PolarHBondContact OE1-CD2 3.44Å; E52-H115 IonicContact OE1-CG 3Å; E52-H115 IonicContact OE1-NE2 2.87Å; E52-H115 IonicContact OE2-CD2 2.67Å; E52-H115 IonicContact OE2-NE2 2.65Å; H113-H115 AromaticContact CD2-CD2 3.44Å; H113-H115 PolarHBondContact CD2-CD2 2.96Å; H113-H115 VanDerWaalsContact CD2-CD2 3.44Å; H113-H115 AromaticContact CD2-NE2 3.35Å; H113-H115 PolarHBondContact CD2-NE2 3.4Å; H113-H115 VanDerWaalsContact CD2-NE2 3.35Å; H113-H115 AromaticContact NE2-CD2 3.6Å; H113-H115 AromaticContact NE2-CE1 3.64Å; H113-H115 AromaticContact NE2-NE2 3.09Å; H113-H115 PolarHBondContact NE2-NE2 3.41Å; H115-G117 PolarHBondContact O-N 3.3Å; H115-F118 HydrophobicContact CB-CB 4.35Å; H115-G119 WeakPolarHBondContact CB-O 3.28Å; H115-W121 PolarHBondContact CE1-O 3.09Å; H115-W121 PolarHBondContact ND1-O 3.39Å; H115-D126 IonicContact CE1-OD2 3.67Å; H115-D126 IonicContact NE2-OD2 3.64Å; H115-D126 PolarHBondContact NE2-OD2 3.34Å; H115-V144 HydrophobicContact CB-CG1 4.06Å; H115-V145 PolarHBondContact N-O 3.47Å; H115-V145 VanDerWaalsContact N-O 3.15Å; H115-D146 WeakPolarHBondContact O-CB 3.36Å
116P90Very high91.2Very high13 Ų1327 Ų278%0.08416%0.159CC..THydrogen-bonded Turntrans-71.1106-174.8-17.131.9000111.5V49 S114 F118 I148V49-P116 HydrophobicContact CG2-CB 4.22Å; V49-P116 HydrophobicContact CG2-CG 4.43Å; S114-P116 WeakPolarHBondContact O-CD 3.49Å; P116-F118 WeakPolarHBondContact O-CD2 3.49Å; P116-F118 PolarHBondContact O-N 2.64Å; P116-I148 HydrophobicContact CB-CD1 3.5Å; P116-I148 HydrophobicContact CB-CG1 3.95Å
117G87.3Confident91.1Very high34 Ų3426.1 Ų26.135%0.35116%0.156SC..THydrogen-bonded Turntrans85.6-4173.900000115.9H115 D146 Q149H115-G117 PolarHBondContact O-N 3.3Å; G117-D146 VanDerWaalsContact CA-OD2 3.32Å; G117-D146 WeakPolarHBondContact CA-OD2 3.43Å; G117-D146 VanDerWaalsContact N-CG 3.32Å; G117-D146 PolarHBondContact N-OD1 3.44Å; G117-D146 PolarHBondContact N-OD2 3.18Å; G117-D146 VanDerWaalsContact N-OD2 3.11Å; G117-Q149 PolarHBondContact O-NE2 3.15Å; G117-Q149 VanDerWaalsContact O-NE2 3.11Å
118F85.4Confident91Very high120 Ų12025.8 Ų25.853%0.52616%0.157SC..THydrogen-bonded Turntrans-96.2-4.8-178.8-60.1-72.8000114.1H115 P116 W121H115-F118 HydrophobicContact CB-CB 4.35Å; P116-F118 WeakPolarHBondContact O-CD2 3.49Å; P116-F118 PolarHBondContact O-N 2.64Å; F118-W121 HydrophobicContact CB-CZ2 4.46Å; F118-W121 PolarHBondContact O-NE1 3.26Å; F118-W121 VanDerWaalsContact O-NE1 3.1Å
119G88.8Confident90.8Very high6 Ų625.8 Ų25.86%0.06216%0.156CC..  trans77.2-174.1-170.900000112.9H115 D146H115-G119 WeakPolarHBondContact CB-O 3.28Å; G119-D146 PolarHBondContact N-OD2 3.46Å; G119-D146 VanDerWaalsContact N-OD2 3.15Å
120C91.9Very high90.7Very high8 Ų825.8 Ų25.85%0.05416%0.156CC..SBendtrans-102.1108.6-175.4-59.80000111.5V144 D158 F160C120-V144 HydrophobicContact CB-CB 4.1Å; C120-V144 HydrophobicContact CB-CG1 4.19Å; C120-V144 PolarHBondContact SG-O 2.88Å; C120-V144 VanDerWaalsContact SG-O 3.41Å; C120-D158 HydrophobicContact CB-CB 3.83Å; C120-F160 HydrophobicContact CB-CE2 4.18Å; C120-F160 HydrophobicContact CB-CZ 4.2Å; C120-F160 WeakPolarHBondContact O-CZ 3.33Å
121W92.7Very high90.5Very high42 Ų4231.3 Ų31.316%0.15918%0.182CC..  trans-154.6172.4172.852.3-82.7000109.1H115 F118 A191 H194H115-W121 PolarHBondContact CE1-O 3.09Å; H115-W121 PolarHBondContact ND1-O 3.39Å; F118-W121 HydrophobicContact CB-CZ2 4.46Å; F118-W121 PolarHBondContact O-NE1 3.26Å; F118-W121 VanDerWaalsContact O-NE1 3.1Å; W121-A191 HydrophobicContact CB-CB 4.21Å; W121-H194 HydrophobicContact CB-CB 4.24Å; W121-H194 HydrophobicContact CD2-CB 4.09Å; W121-H194 AromaticContact CD2-CD2 3.77Å; W121-H194 AromaticContact CD2-CG 3.82Å; W121-H194 HydrophobicContact CE3-CB 3.68Å; W121-H194 AromaticContact CE3-CD2 3.88Å; W121-H194 AromaticContact CE3-CG 3.47Å; W121-H194 VanDerWaalsContact CE3-CG 3.47Å; W121-H194 AromaticContact CE3-ND1 3.69Å; W121-H194 HydrophobicContact CG-CB 4.32Å; W121-H194 AromaticContact CH2-CE1 3.96Å; W121-H194 HydrophobicContact CZ3-CB 4.43Å; W121-H194 AromaticContact CZ3-CE1 3.83Å; W121-H194 AromaticContact CZ3-CG 3.87Å; W121-H194 AromaticContact CZ3-ND1 3.57Å
122L90.9Very high90.3Very high2 Ų235 Ų351%0.0121%0.208CC..  trans-108.8127.2175.5-61.2-179.2000110.4D126 I127 A142 V144 F160 L162 Y200L122-D126 HydrophobicContact CB-CB 4.05Å; L122-D126 HydrophobicContact CD2-CB 3.96Å; L122-I127 HydrophobicContact CB-CG1 4Å; L122-A142 HydrophobicContact CD2-CB 4.21Å; L122-V144 HydrophobicContact CD2-CG2 3.83Å; L122-F160 HydrophobicContact CD1-CB 3.8Å; L122-F160 HydrophobicContact CD1-CG 4.4Å; L122-F160 HydrophobicContact CD2-CD2 4.07Å; L122-F160 HydrophobicContact CG-CB 4.18Å; L122-F160 HydrophobicContact CG-CD2 4.02Å; L122-F160 HydrophobicContact CG-CG 4.27Å; L122-L162 HydrophobicContact CD1-CD2 4.25Å; L122-Y200 HydrophobicContact CB-CD1 4.11Å; L122-Y200 HydrophobicContact CB-CE1 3.81Å; L122-Y200 HydrophobicContact CD1-CD1 4.07Å; L122-Y200 HydrophobicContact CD1-CD2 4.33Å; L122-Y200 HydrophobicContact CD1-CG 3.96Å; L122-Y200 HydrophobicContact CG-CD1 4.45Å; L122-Y200 HydrophobicContact CG-CE1 4.46Å; L122-Y200 HydrophobicContact CG-CE2 4.49Å; L122-Y200 HydrophobicContact CG-CG 4.48Å; L122-Y200 PolarHBondContact N-OH 3.25Å
123S89.9Confident90Very high28 Ų2835.9 Ų35.920%0.19621%0.212CC..  trans-75.4169.7170.776.60000112V125 D126 I127S123-V125 PolarHBondContact O-N 2.95Å; S123-V125 PolarHBondContact OG-N 3.47Å; S123-D126 WeakPolarHBondContact CB-OD2 3.38Å; S123-D126 PolarHBondContact N-OD2 2.79Å; S123-D126 PolarHBondContact O-N 3.18Å; S123-D126 VanDerWaalsContact O-N 3.11Å; S123-D126 PolarHBondContact OG-N 3.4Å; S123-D126 PolarHBondContact OG-OD2 3.35Å; S123-I127 VanDerWaalsContact O-CG1 3.3Å; S123-I127 WeakPolarHBondContact O-CG1 3.5Å; S123-I127 PolarHBondContact O-N 3.08Å
124G88.4Confident89.8Confident49 Ų4938 Ų3851%0.50522%0.222SC..Hα-helixtrans-58.5-32.5174.400000113N128G124-N128 PolarHBondContact O-N 3.16Å; G124-N128 PolarHBondContact O-ND2 2.96Å; G124-N128 VanDerWaalsContact O-ND2 3.17Å
125V87.4Confident89.7Confident64 Ų6442.2 Ų42.239%0.38826%0.257SS..Hα-helixtrans-71.6-40.8175.7-177.10000110.6S123 I127 N128 T129S123-V125 PolarHBondContact O-N 2.95Å; S123-V125 PolarHBondContact OG-N 3.47Å; V125-I127 VanDerWaalsContact C-N 3.34Å; V125-I127 PolarHBondContact O-N 3.11Å; V125-N128 PolarHBondContact O-N 2.95Å; V125-T129 WeakPolarHBondContact O-CB 3.5Å; V125-T129 PolarHBondContact O-N 3.1Å; V125-T129 PolarHBondContact O-OG1 3.3Å
126D90.6Very high89.4Confident8 Ų849.4 Ų49.44%0.04330%0.295CS..Hα-helixtrans-65.3-39.1177.5-57.5-44.7000111.6W111 H113 H115 L122 S123 T129 Q130W111-D126 HydrophobicContact CH2-CB 4.12Å; H113-D126 IonicContact CE1-OD1 3.94Å; H113-D126 IonicContact NE2-OD1 3.64Å; H113-D126 IonicContact NE2-OD2 3.16Å; H115-D126 IonicContact CE1-OD2 3.67Å; H115-D126 IonicContact NE2-OD2 3.64Å; H115-D126 PolarHBondContact NE2-OD2 3.34Å; L122-D126 HydrophobicContact CB-CB 4.05Å; L122-D126 HydrophobicContact CD2-CB 3.96Å; S123-D126 WeakPolarHBondContact CB-OD2 3.38Å; S123-D126 PolarHBondContact N-OD2 2.79Å; S123-D126 PolarHBondContact O-N 3.18Å; S123-D126 VanDerWaalsContact O-N 3.11Å; S123-D126 PolarHBondContact OG-N 3.4Å; S123-D126 PolarHBondContact OG-OD2 3.35Å; D126-T129 PolarHBondContact O-N 2.89Å; D126-Q130 VanDerWaalsContact O-CB 3.29Å; D126-Q130 WeakPolarHBondContact O-CB 3.5Å; D126-Q130 PolarHBondContact O-N 3.47Å
127I90.4Very high89.2Confident32 Ų3250.4 Ų50.416%0.16430%0.302CS..Hα-helixtrans-61.8-46.8175.8-68.1166000110.5L122 S123 V125 T129 Q130 Q131 L162 H199 Y200L122-I127 HydrophobicContact CB-CG1 4Å; S123-I127 VanDerWaalsContact O-CG1 3.3Å; S123-I127 WeakPolarHBondContact O-CG1 3.5Å; S123-I127 PolarHBondContact O-N 3.08Å; V125-I127 VanDerWaalsContact C-N 3.34Å; V125-I127 PolarHBondContact O-N 3.11Å; I127-T129 VanDerWaalsContact C-N 3.31Å; I127-T129 PolarHBondContact O-N 3.38Å; I127-Q130 PolarHBondContact O-N 2.96Å; I127-Q131 WeakPolarHBondContact O-CB 3.36Å; I127-Q131 PolarHBondContact O-N 3.37Å; I127-L162 HydrophobicContact CB-CD2 4.32Å; I127-L162 HydrophobicContact CG1-CD2 4.11Å; I127-L162 HydrophobicContact CG2-CD1 4.16Å; I127-L162 HydrophobicContact CG2-CD2 3.92Å; I127-H199 HydrophobicContact CD1-CB 4.17Å; I127-Y200 HydrophobicContact CD1-CD1 4.19Å; I127-Y200 HydrophobicContact CD1-CE1 4.16Å; I127-Y200 HydrophobicContact CG1-CD1 4.33Å
128N89.6Confident89.2Confident99 Ų9956.9 Ų56.953%0.52932%0.323SS..Hα-helixtrans-63.9-38.1177.9-70.5-29.3000112.1G124 V125 Q131 S132G124-N128 PolarHBondContact O-N 3.16Å; G124-N128 PolarHBondContact O-ND2 2.96Å; G124-N128 VanDerWaalsContact O-ND2 3.17Å; V125-N128 PolarHBondContact O-N 2.95Å; N128-Q131 PolarHBondContact O-N 3.27Å; N128-S132 PolarHBondContact O-N 3.46Å; N128-S132 PolarHBondContact O-OG 3.01Å; N128-S132 VanDerWaalsContact O-OG 3.04Å
129T88.6Confident89.4Confident28 Ų2853.4 Ų53.417%0.17231%0.306CS..Hα-helixtrans-65.9-47.7176.3-57.50000110.7W111 V125 D126 I127 Q131 S132 F133W111-T129 HydrophobicContact CH2-CG2 4.07Å; W111-T129 HydrophobicContact CZ2-CG2 4.02Å; W111-T129 HydrophobicContact CZ3-CG2 4.37Å; V125-T129 WeakPolarHBondContact O-CB 3.5Å; V125-T129 PolarHBondContact O-N 3.1Å; V125-T129 PolarHBondContact O-OG1 3.3Å; D126-T129 PolarHBondContact O-N 2.89Å; I127-T129 VanDerWaalsContact C-N 3.31Å; I127-T129 PolarHBondContact O-N 3.38Å; T129-Q131 VanDerWaalsContact C-N 3.33Å; T129-Q131 PolarHBondContact O-N 2.87Å; T129-S132 WeakPolarHBondContact O-CB 3.37Å; T129-S132 PolarHBondContact O-N 3.35Å; T129-S132 VanDerWaalsContact O-N 3.11Å; T129-F133 HydrophobicContact CG2-CD2 4.07Å; T129-F133 HydrophobicContact CG2-CE2 3.87Å; T129-F133 WeakPolarHBondContact O-CD2 3.47Å; T129-F133 PolarHBondContact O-N 3.01Å; T129-F133 VanDerWaalsContact O-N 3.14Å
130Q91.6Very high89.6Confident0 Ų053.2 Ų53.20%030%0.304CS..Hα-helixtrans-60.6-40.7176.3175.163.49.900111.7W111 D126 I127 S132 F133 E134 A140 A142 L162W111-Q130 HydrophobicContact CZ2-CB 4.17Å; D126-Q130 VanDerWaalsContact O-CB 3.29Å; D126-Q130 WeakPolarHBondContact O-CB 3.5Å; D126-Q130 PolarHBondContact O-N 3.47Å; I127-Q130 PolarHBondContact O-N 2.96Å; Q130-S132 PolarHBondContact O-N 2.92Å; Q130-F133 PolarHBondContact O-N 3.2Å; Q130-F133 VanDerWaalsContact O-N 3.09Å; Q130-E134 HydrophobicContact CG-CG 4.34Å; Q130-E134 PolarHBondContact NE2-OE1 3.11Å; Q130-E134 PolarHBondContact O-N 3.22Å; Q130-A140 PolarHBondContact NE2-O 3.15Å; Q130-A142 HydrophobicContact CG-CB 4.43Å; Q130-L162 HydrophobicContact CB-CD1 4.08Å; Q130-L162 HydrophobicContact CB-CD2 4.49Å; Q130-L162 HydrophobicContact CB-CG 4.24Å; Q130-L162 HydrophobicContact CG-CD1 3.79Å; Q130-L162 HydrophobicContact CG-CD2 4.12Å; Q130-L162 HydrophobicContact CG-CG 3.56Å
131Q90.4Very high89.7Confident118 Ų11852.8 Ų52.855%0.55130%0.301SS*.Hα-helixtrans-59.7-36176.1-172.8176.910.400111.9I127 N128 T129 E134 A135 L162I127-Q131 WeakPolarHBondContact O-CB 3.36Å; I127-Q131 PolarHBondContact O-N 3.37Å; N128-Q131 PolarHBondContact O-N 3.27Å; T129-Q131 VanDerWaalsContact C-N 3.33Å; T129-Q131 PolarHBondContact O-N 2.87Å; Q131-E134 PolarHBondContact O-N 3.36Å; Q131-A135 PolarHBondContact O-N 2.89Å; Q131-A135 VanDerWaalsContact O-N 3.11Å; Q131-L162 HydrophobicContact CB-CD1 3.92Å
132S89.6Confident89.8Confident78 Ų7850.8 Ų50.855%0.54529%0.294SS..Hα-helixtrans-68.5-38.2176.1-56.10000111.9N128 T129 Q130N128-S132 PolarHBondContact O-N 3.46Å; N128-S132 PolarHBondContact O-OG 3.01Å; N128-S132 VanDerWaalsContact O-OG 3.04Å; T129-S132 WeakPolarHBondContact O-CB 3.37Å; T129-S132 PolarHBondContact O-N 3.35Å; T129-S132 VanDerWaalsContact O-N 3.11Å; Q130-S132 PolarHBondContact O-N 2.92Å
133F89.5Confident90Very high23 Ų2350.7 Ų50.710%0.10129%0.293CS..Hα-helixtrans-69.8-38.7173.6-81.5-74000112.8L56 V87 W111 T129 Q130 A135 L136 S137 A140L56-F133 HydrophobicContact CD2-CE1 3.83Å; L56-F133 HydrophobicContact CD2-CZ 3.72Å; V87-F133 HydrophobicContact CG2-CE2 4.09Å; V87-F133 HydrophobicContact CG2-CZ 3.68Å; W111-F133 HydrophobicContact CB-CE2 4.11Å; W111-F133 HydrophobicContact CB-CZ 4.14Å; W111-F133 AromaticContact CD1-CD2 3.47Å; W111-F133 VanDerWaalsContact CD1-CD2 3.47Å; W111-F133 AromaticContact CD1-CE2 3.8Å; W111-F133 AromaticContact CD1-CG 3.89Å; W111-F133 HydrophobicContact CD2-CD2 4.37Å; W111-F133 HydrophobicContact CD2-CE2 4.16Å; W111-F133 AromaticContact CG-CD2 3.92Å; W111-F133 HydrophobicContact CG-CD2 3.92Å; W111-F133 AromaticContact CG-CE2 3.76Å; W111-F133 HydrophobicContact CG-CE2 3.76Å; W111-F133 HydrophobicContact CG-CZ 4.28Å; W111-F133 AromaticContact NE1-CD2 3.69Å; T129-F133 HydrophobicContact CG2-CD2 4.07Å; T129-F133 HydrophobicContact CG2-CE2 3.87Å; T129-F133 WeakPolarHBondContact O-CD2 3.47Å; T129-F133 PolarHBondContact O-N 3.01Å; T129-F133 VanDerWaalsContact O-N 3.14Å; Q130-F133 PolarHBondContact O-N 3.2Å; Q130-F133 VanDerWaalsContact O-N 3.09Å; F133-A135 VanDerWaalsContact C-N 3.26Å; F133-A135 PolarHBondContact O-N 3.34Å; F133-L136 PolarHBondContact O-N 3.02Å; F133-L136 VanDerWaalsContact O-N 3.08Å; F133-S137 PolarHBondContact O-N 2.76Å; F133-A140 HydrophobicContact CB-CB 4.04Å
134E89.9Confident90.2Very high43 Ų4349.4 Ų49.420%0.20128%0.284CS..Hα-helixtrans-65.4-29.6176.8-75.6-179.3-16800112.4Q130 Q131 L136 S137 E138 A140 R161 L162Q130-E134 HydrophobicContact CG-CG 4.34Å; Q130-E134 PolarHBondContact NE2-OE1 3.11Å; Q130-E134 PolarHBondContact O-N 3.22Å; Q131-E134 PolarHBondContact O-N 3.36Å; E134-L136 VanDerWaalsContact C-N 3.26Å; E134-L136 PolarHBondContact O-N 3.43Å; E134-S137 VanDerWaalsContact CA-O 3.32Å; E134-S137 WeakPolarHBondContact CA-O 3.46Å; E134-S137 CarbonylContact O-C 3.3Å; E134-S137 VanDerWaalsContact O-C 3.25Å; E134-E138 WeakPolarHBondContact O-CA 3.48Å; E134-E138 PolarHBondContact O-N 3.16Å; E134-A140 HydrophobicContact CG-CB 4.31Å; E134-R161 WeakPolarHBondContact OE1-CG 3.47Å; E134-L162 WeakPolarHBondContact OE1-CB 3.34Å; E134-L162 PolarHBondContact OE1-N 3.37Å
135A88.4Confident90.5Very high90 Ų9047.1 Ų47.174%0.74426%0.26SS*.Hα-helixtrans-66.6-27172.500000113.4Q131 F133Q131-A135 PolarHBondContact O-N 2.89Å; Q131-A135 VanDerWaalsContact O-N 3.11Å; F133-A135 VanDerWaalsContact C-N 3.26Å; F133-A135 PolarHBondContact O-N 3.34Å
136L86.7Confident90.8Very high153 Ų15344 Ų4480%0.80124%0.242SC*.Hα-helixtrans-88.1-39.4175.4-68.3169.4000111.9F133 E134F133-L136 PolarHBondContact O-N 3.02Å; F133-L136 VanDerWaalsContact O-N 3.08Å; E134-L136 VanDerWaalsContact C-N 3.26Å; E134-L136 PolarHBondContact O-N 3.43Å
137S86.1Confident90.8Very high33 Ų3344 Ų4423%0.23124%0.242CC..  trans-142.3109.3178.1-175.50000109.5F133 E134 R139 A140F133-S137 PolarHBondContact O-N 2.76Å; E134-S137 VanDerWaalsContact CA-O 3.32Å; E134-S137 WeakPolarHBondContact CA-O 3.46Å; E134-S137 CarbonylContact O-C 3.3Å; E134-S137 VanDerWaalsContact O-C 3.25Å; S137-R139 PolarHBondContact O-N 3.34Å; S137-A140 VanDerWaalsContact O-CB 3.26Å; S137-A140 WeakPolarHBondContact O-CB 3.23Å; S137-A140 PolarHBondContact O-N 3.3Å
138E86.8Confident90.8Very high170 Ų17046.1 Ų46.179%0.79425%0.253SS*.THydrogen-bonded Turntrans-54.2-26.8-177.1-174.4175.5-172.900113.3E134E134-E138 WeakPolarHBondContact O-CA 3.48Å; E134-E138 PolarHBondContact O-N 3.16Å
139R89.4Confident90.8Very high47 Ų4745.5 Ų45.518%0.17725%0.247CC..THydrogen-bonded Turntrans-98.312.3-178.5-63.8-174.664.1-158.6-1.6114.2E29 F61 D63 D64 S137 V141 R161E29-R139 IonicContact OE1-NH2 2.9Å; F61-R139 HydrophobicContact CD1-CB 4.16Å; F61-R139 HydrophobicContact CE1-CB 3.63Å; F61-R139 HydrophobicContact CZ-CB 4.06Å; D63-R139 PolarHBondContact O-NH1 3.33Å; D63-R139 PolarHBondContact O-NH2 2.77Å; D64-R139 VanDerWaalsContact C-NH2 3.29Å; D64-R139 PolarHBondContact O-NH2 3.04Å; S137-R139 PolarHBondContact O-N 3.34Å; R139-V141 PolarHBondContact O-N 3.29Å; R139-R161 PolarHBondContact O-NH2 3.42Å
140A92.1Very high90.9Very high2 Ų245.3 Ų45.32%0.01725%0.246CC..  trans-5413417700000111.1Q130 F133 E134 S137 R161Q130-A140 PolarHBondContact NE2-O 3.15Å; F133-A140 HydrophobicContact CB-CB 4.04Å; E134-A140 HydrophobicContact CG-CB 4.31Å; S137-A140 VanDerWaalsContact O-CB 3.26Å; S137-A140 WeakPolarHBondContact O-CB 3.23Å; S137-A140 PolarHBondContact O-N 3.3Å; A140-R161 PolarHBondContact O-NE 2.97Å
141V94.1Very high90.6Very high0 Ų049.9 Ų49.90%027%0.274CS..EExtended strand (participates in β ladder)trans-109.4134.6178.1-178.60000109.6V31 M57 V67 V109 G110 W111 R139 V143 A159 I203V31-V141 HydrophobicContact CG2-CG1 4.12Å; V31-V141 HydrophobicContact CG2-CG2 4.28Å; M57-V141 HydrophobicContact CE-CB 4.13Å; M57-V141 HydrophobicContact CE-CG1 4.43Å; M57-V141 VanDerWaalsContact CE-O 3.23Å; M57-V141 WeakPolarHBondContact CE-O 3.31Å; V67-V141 HydrophobicContact CG1-CG2 4.41Å; V67-V141 HydrophobicContact CG2-CG2 4.22Å; V109-V141 PolarHBondContact O-N 3.26Å; G110-V141 VanDerWaalsContact CA-O 3.29Å; G110-V141 WeakPolarHBondContact CA-O 3.23Å; W111-V141 PolarHBondContact N-O 2.8Å; W111-V141 VanDerWaalsContact O-O 3.14Å; R139-V141 PolarHBondContact O-N 3.29Å; V141-V143 HydrophobicContact CG1-CG2 4.09Å; V141-A159 HydrophobicContact CG1-CB 3.83Å; V141-I203 HydrophobicContact CG1-CD1 4.48Å; V141-I203 HydrophobicContact CG2-CD1 4.41Å
142A94.9Very high90Very high0 Ų054.6 Ų54.60%029%0.293CS..EExtended strand (participates in β ladder)trans-96.6119168.800000109.7W111 L122 Q130 A159 F160W111-A142 HydrophobicContact CZ2-CB 4.16Å; W111-A142 WeakPolarHBondContact O-CA 3.38Å; L122-A142 HydrophobicContact CD2-CB 4.21Å; Q130-A142 HydrophobicContact CG-CB 4.43Å; A142-A159 CarbonylContact O-C 3.25Å; A142-A159 WeakPolarHBondContact O-CA 3.37Å; A142-F160 PolarHBondContact N-O 3.42Å; A142-F160 PolarHBondContact O-N 2.87Å
143V95.7Very high89.5Confident0 Ų055.3 Ų55.30%031%0.312CS..EExtended strand (participates in β ladder)trans-106129.9176.11730000110.2M41 M57 W111 Y112 H113 V141 V145 I157 A159M41-V143 HydrophobicContact SD-CG1 4.19Å; M57-V143 HydrophobicContact CE-CB 4.31Å; M57-V143 HydrophobicContact CE-CG2 3.64Å; M57-V143 HydrophobicContact SD-CB 4.01Å; M57-V143 HydrophobicContact SD-CG2 3.59Å; M57-V143 VanDerWaalsContact SD-CG2 3.59Å; W111-V143 PolarHBondContact O-N 3.1Å; Y112-V143 CarbonylContact C-O 3.59Å; Y112-V143 WeakPolarHBondContact CA-O 3.26Å; Y112-V143 WeakPolarHBondContact CB-O 3.38Å; H113-V143 PolarHBondContact N-O 3.48Å; V141-V143 HydrophobicContact CG1-CG2 4.09Å; V143-V145 HydrophobicContact CG1-CG2 4.12Å; V143-I157 HydrophobicContact CG1-CD1 3.76Å; V143-I157 HydrophobicContact CG1-CG1 3.8Å; V143-A159 HydrophobicContact CG2-CB 4.08Å
144V94.6Very high89.4Confident0 Ų061.1 Ų61.10%034%0.338CS..EExtended strand (participates in β ladder)trans-112.3127.5177.8-170.60000109.2H113 H115 C120 L122 I157 D158 F160H113-V144 WeakPolarHBondContact O-CA 3.43Å; H115-V144 HydrophobicContact CB-CG1 4.06Å; C120-V144 HydrophobicContact CB-CB 4.1Å; C120-V144 HydrophobicContact CB-CG1 4.19Å; C120-V144 PolarHBondContact SG-O 2.88Å; C120-V144 VanDerWaalsContact SG-O 3.41Å; L122-V144 HydrophobicContact CD2-CG2 3.83Å; V144-I157 WeakPolarHBondContact O-CA 3.31Å; V144-D158 PolarHBondContact N-O 3Å; V144-D158 PolarHBondContact O-N 3.03Å; V144-D158 VanDerWaalsContact O-N 3.14Å; V144-F160 HydrophobicContact CB-CE2 4.16Å; V144-F160 HydrophobicContact CG2-CD2 3.77Å; V144-F160 HydrophobicContact CG2-CE2 3.71Å
145V94.4Very high89.4Confident1 Ų161.7 Ų61.71%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-119.6128.5179.5-1760000110M41 L42 H113 S114 H115 V143 P147 I157M41-V145 HydrophobicContact CB-CG2 4.31Å; M41-V145 HydrophobicContact SD-CG2 4.31Å; L42-V145 HydrophobicContact CD2-CG1 3.75Å; H113-V145 PolarHBondContact O-N 3.31Å; S114-V145 WeakPolarHBondContact CA-O 3.5Å; S114-V145 WeakPolarHBondContact CB-O 3.35Å; H115-V145 PolarHBondContact N-O 3.47Å; H115-V145 VanDerWaalsContact N-O 3.15Å; V143-V145 HydrophobicContact CG1-CG2 4.12Å; V145-P147 VanDerWaalsContact O-CD 3.26Å; V145-P147 WeakPolarHBondContact O-CD 3.45Å; V145-I157 HydrophobicContact CG2-CD1 3.9Å; V145-I157 HydrophobicContact CG2-CG1 3.95Å
146D93.8Very high89.6Confident0 Ų058.6 Ų58.60%032%0.316CS..  trans-102.4100.5171.1-171.9-25.3000110.3H115 G117 G119 I148 Q149 S150 V156H115-D146 WeakPolarHBondContact O-CB 3.36Å; G117-D146 VanDerWaalsContact CA-OD2 3.32Å; G117-D146 WeakPolarHBondContact CA-OD2 3.43Å; G117-D146 VanDerWaalsContact N-CG 3.32Å; G117-D146 PolarHBondContact N-OD1 3.44Å; G117-D146 PolarHBondContact N-OD2 3.18Å; G117-D146 VanDerWaalsContact N-OD2 3.11Å; G119-D146 PolarHBondContact N-OD2 3.46Å; G119-D146 VanDerWaalsContact N-OD2 3.15Å; D146-I148 PolarHBondContact O-N 3.36Å; D146-I148 WeakPolarHBondContact OD1-CA 2.95Å; D146-I148 WeakPolarHBondContact OD1-CB 3.45Å; D146-I148 PolarHBondContact OD1-N 3.14Å; D146-Q149 HydrophobicContact CB-CB 4.4Å; D146-Q149 PolarHBondContact OD1-N 3.2Å; D146-Q149 VanDerWaalsContact OD2-CD 3.26Å; D146-Q149 WeakPolarHBondContact OD2-CG 3.4Å; D146-Q149 PolarHBondContact OD2-NE2 3.46Å; D146-S150 WeakPolarHBondContact O-CB 3.47Å; D146-S150 PolarHBondContact O-N 3.29Å; D146-S150 VanDerWaalsContact O-N 3.13Å; D146-S150 PolarHBondContact O-OG 2.88Å; D146-V156 HydrophobicContact CB-CB 4.23Å; D146-V156 HydrophobicContact CB-CG1 4.11Å; D146-V156 PolarHBondContact N-O 3.25Å; D146-V156 VanDerWaalsContact N-O 3.08Å
147P91.3Very high89.9Confident8 Ų852 Ų525%0.05228%0.281CS..THydrogen-bonded Turntrans-76.3-6.4-178.233.5-38.1000113.8R46 V49 V145R46-P147 HydrophobicContact CB-CB 4.35Å; R46-P147 PolarHBondContact NH1-O 3.35Å; R46-P147 VanDerWaalsContact NH1-O 3.13Å; V49-P147 HydrophobicContact CG2-CG 4.09Å; V145-P147 VanDerWaalsContact O-CD 3.26Å; V145-P147 WeakPolarHBondContact O-CD 3.45Å
148I90.6Very high90.2Very high76 Ų7652.9 Ų52.939%0.3928%0.283SS..THydrogen-bonded Turntrans-93.1-50178.6-60.4-174.6000109.8V49 P116 D146 S150V49-I148 HydrophobicContact CG1-CD1 4.08Å; V49-I148 HydrophobicContact CG2-CG1 4.38Å; P116-I148 HydrophobicContact CB-CD1 3.5Å; P116-I148 HydrophobicContact CB-CG1 3.95Å; D146-I148 PolarHBondContact O-N 3.36Å; D146-I148 WeakPolarHBondContact OD1-CA 2.95Å; D146-I148 WeakPolarHBondContact OD1-CB 3.45Å; D146-I148 PolarHBondContact OD1-N 3.14Å; I148-S150 VanDerWaalsContact C-N 3.29Å
149Q89.1Confident90.5Very high86 Ų8644.8 Ų44.840%0.40225%0.245SC..THydrogen-bonded Turntrans-74.9-20.7178.2-64.2-173.918.600112.9G117 D146 V151 V156G117-Q149 PolarHBondContact O-NE2 3.15Å; G117-Q149 VanDerWaalsContact O-NE2 3.11Å; D146-Q149 HydrophobicContact CB-CB 4.4Å; D146-Q149 PolarHBondContact OD1-N 3.2Å; D146-Q149 VanDerWaalsContact OD2-CD 3.26Å; D146-Q149 WeakPolarHBondContact OD2-CG 3.4Å; D146-Q149 PolarHBondContact OD2-NE2 3.46Å; Q149-V151 PolarHBondContact O-N 3.46Å; Q149-V151 VanDerWaalsContact O-N 3.16Å; Q149-V156 HydrophobicContact CB-CB 4.46Å; Q149-V156 HydrophobicContact CB-CG2 3.95Å
150S89.9Confident90.7Very high23 Ų2342.6 Ų42.616%0.16124%0.237CC..  trans-66.9110.2173.1-68.30000111.2D146 I148 V156D146-S150 WeakPolarHBondContact O-CB 3.47Å; D146-S150 PolarHBondContact O-N 3.29Å; D146-S150 VanDerWaalsContact O-N 3.13Å; D146-S150 PolarHBondContact O-OG 2.88Å; I148-S150 VanDerWaalsContact C-N 3.29Å; S150-V156 PolarHBondContact OG-N 3.49Å
151V85.9Confident90.7Very high97 Ų9743 Ų4359%0.58824%0.239SC*.BIsolated β-bridgetrans-115.2165.4178-66.10000111Q149 G153 K154Q149-V151 PolarHBondContact O-N 3.46Å; Q149-V151 VanDerWaalsContact O-N 3.16Å; V151-G153 PolarHBondContact O-N 3.2Å; V151-K154 PolarHBondContact N-O 3.05Å; V151-K154 VanDerWaalsContact N-O 3.08Å; V151-K154 CarbonylContact O-C 3.56Å; V151-K154 PolarHBondContact O-N 2.77Å
152K77.4Confident90.6Very high216 Ų21644 Ų4494%0.93924%0.244SC*.THydrogen-bonded Turntrans-54.7115.6173.7-70.7-175.1179.41790109.3
153G79.4Confident90.3Very high93 Ų9344.8 Ų44.896%0.95925%0.247SC*.THydrogen-bonded Turntrans110.5-26.7-179.300000114.9V151V151-G153 PolarHBondContact O-N 3.2Å
154K86.5Confident89.6Confident146 Ų14649.2 Ų49.264%0.63527%0.271SS*.BIsolated β-bridgetrans-141.4114.2175.7-172.8-176.4178.7-173.20110.6V151V151-K154 PolarHBondContact N-O 3.05Å; V151-K154 VanDerWaalsContact N-O 3.08Å; V151-K154 CarbonylContact O-C 3.56Å; V151-K154 PolarHBondContact O-N 2.77Å
155V89.8Confident88.8Confident55 Ų5552 Ų5233%0.33329%0.294SS..  trans-90.1124.5169.4-177.20000107.9L38 L42 I157L38-V155 HydrophobicContact CD1-CG1 4.34Å; L42-V155 HydrophobicContact CD1-CG1 4.32Å; L42-V155 HydrophobicContact CD1-CG2 4.43Å; L42-V155 HydrophobicContact CD2-CG1 4.11Å; V155-I157 HydrophobicContact CG1-CB 4.31Å; V155-I157 HydrophobicContact CG1-CG2 4.01Å; V155-I157 PolarHBondContact O-N 2.58Å
156V92.3Very high87.9Confident24 Ų2457.4 Ų57.415%0.14532%0.323CS..  trans-89.9101.7177-175.50000107.4D146 Q149 S150D146-V156 HydrophobicContact CB-CB 4.23Å; D146-V156 HydrophobicContact CB-CG1 4.11Å; D146-V156 PolarHBondContact N-O 3.25Å; D146-V156 VanDerWaalsContact N-O 3.08Å; Q149-V156 HydrophobicContact CB-CB 4.46Å; Q149-V156 HydrophobicContact CB-CG2 3.95Å; S150-V156 PolarHBondContact OG-N 3.49Å
157I93.4Very high87Confident14 Ų1461.1 Ų61.17%0.07234%0.342CS..EExtended strand (participates in β ladder)trans-149.2134.3-177.6-177.5173.3000108.4I33 L38 M41 V143 V144 V145 V155 I205 Y207I33-I157 HydrophobicContact CD1-CD1 3.89Å; L38-I157 HydrophobicContact CD1-CD1 4.01Å; M41-I157 HydrophobicContact CE-CD1 4.31Å; V143-I157 HydrophobicContact CG1-CD1 3.76Å; V143-I157 HydrophobicContact CG1-CG1 3.8Å; V144-I157 WeakPolarHBondContact O-CA 3.31Å; V145-I157 HydrophobicContact CG2-CD1 3.9Å; V145-I157 HydrophobicContact CG2-CG1 3.95Å; V155-I157 HydrophobicContact CG1-CB 4.31Å; V155-I157 HydrophobicContact CG1-CG2 4.01Å; V155-I157 PolarHBondContact O-N 2.58Å; I157-I205 HydrophobicContact CD1-CD1 4.23Å; I157-I205 HydrophobicContact CG1-CD1 3.78Å; I157-I205 HydrophobicContact CG2-CD1 4.35Å; I157-Y207 WeakPolarHBondContact CG2-OH 3.3Å
158D93.6Very high86.2Confident52 Ų5264.3 Ų64.328%0.27836%0.357SS..EExtended strand (participates in β ladder)trans-137.8154.9172.4-81.8-47.9000110.2C120 V144 F160C120-D158 HydrophobicContact CB-CB 3.83Å; V144-D158 PolarHBondContact N-O 3Å; V144-D158 PolarHBondContact O-N 3.03Å; V144-D158 VanDerWaalsContact O-N 3.14Å; D158-F160 HydrophobicContact CB-CE1 4.16Å; D158-F160 HydrophobicContact CB-CE2 3.82Å; D158-F160 HydrophobicContact CB-CZ 3.5Å
159A93.5Very high85.5Confident0 Ų067 Ų670%038%0.376CS..EExtended strand (participates in β ladder)trans-115.8139176.400000109V31 V141 A142 V143 S202 I203 I205V31-A159 HydrophobicContact CG2-CB 4.28Å; V141-A159 HydrophobicContact CG1-CB 3.83Å; A142-A159 CarbonylContact O-C 3.25Å; A142-A159 WeakPolarHBondContact O-CA 3.37Å; V143-A159 HydrophobicContact CG2-CB 4.08Å; A159-S202 WeakPolarHBondContact O-CA 3.3Å; A159-I203 HydrophobicContact CB-CB 4.23Å; A159-I203 PolarHBondContact O-N 2.91Å; A159-I205 HydrophobicContact CB-CD1 3.86Å; A159-I205 HydrophobicContact CB-CG1 3.78Å
160F93Very high84.9Confident2 Ų268.7 Ų68.71%0.00939%0.388CS..EExtended strand (participates in β ladder)trans-132.3153-176.8-55.5-70.3000111.2C120 L122 A142 V144 D158 L196 Y200 Y201C120-F160 HydrophobicContact CB-CE2 4.18Å; C120-F160 HydrophobicContact CB-CZ 4.2Å; C120-F160 WeakPolarHBondContact O-CZ 3.33Å; L122-F160 HydrophobicContact CD1-CB 3.8Å; L122-F160 HydrophobicContact CD1-CG 4.4Å; L122-F160 HydrophobicContact CD2-CD2 4.07Å; L122-F160 HydrophobicContact CG-CB 4.18Å; L122-F160 HydrophobicContact CG-CD2 4.02Å; L122-F160 HydrophobicContact CG-CG 4.27Å; A142-F160 PolarHBondContact N-O 3.42Å; A142-F160 PolarHBondContact O-N 2.87Å; V144-F160 HydrophobicContact CB-CE2 4.16Å; V144-F160 HydrophobicContact CG2-CD2 3.77Å; V144-F160 HydrophobicContact CG2-CE2 3.71Å; D158-F160 HydrophobicContact CB-CE1 4.16Å; D158-F160 HydrophobicContact CB-CE2 3.82Å; D158-F160 HydrophobicContact CB-CZ 3.5Å; F160-L196 HydrophobicContact CD1-CD1 4.11Å; F160-L196 HydrophobicContact CE1-CD1 3.93Å; F160-Y200 HydrophobicContact CB-CD2 4.27Å; F160-Y200 AromaticContact CD1-CD2 3.75Å; F160-Y200 HydrophobicContact CD1-CD2 3.75Å; F160-Y200 HydrophobicContact CD1-CE2 4.04Å; F160-Y200 HydrophobicContact CE1-CD2 4.38Å; F160-Y200 HydrophobicContact CE1-CE2 4.24Å; F160-Y200 HydrophobicContact CG-CD2 4.11Å; F160-Y200 HydrophobicContact CG-CE2 4.46Å; F160-Y201 VanDerWaalsContact CA-O 3.3Å; F160-Y201 WeakPolarHBondContact CA-O 3.49Å
161R92Very high84.1Confident11 Ų1170.8 Ų70.84%0.04241%0.413CS..EExtended strand (participates in β ladder)trans-138.1148.9166.3-172.5178.9-65.71483.1109.5E29 E134 R139 A140 Y200 Y201 I203E29-R161 VanDerWaalsContact CD-NH1 3.27Å; E29-R161 IonicContact OE1-CZ 3.05Å; E29-R161 VanDerWaalsContact OE1-CZ 3.27Å; E29-R161 IonicContact OE1-NH1 3.65Å; E29-R161 PolarHBondContact OE1-NH1 3.02Å; E29-R161 IonicContact OE1-NH2 3.46Å; E29-R161 PolarHBondContact OE1-NH2 3.37Å; E29-R161 IonicContact OE2-CZ 3.67Å; E29-R161 IonicContact OE2-NH1 3.27Å; E29-R161 PolarHBondContact OE2-NH1 3.26Å; E29-R161 IonicContact OE2-NH2 3.85Å; E134-R161 WeakPolarHBondContact OE1-CG 3.47Å; R139-R161 PolarHBondContact O-NH2 3.42Å; A140-R161 PolarHBondContact O-NE 2.97Å; R161-Y200 CarbonylContact O-C 3.46Å; R161-Y200 WeakPolarHBondContact O-CA 3.43Å; R161-Y200 WeakPolarHBondContact O-CB 3.29Å; R161-Y201 HydrophobicContact CB-CE1 3.96Å; R161-Y201 HydrophobicContact CB-CE2 4.25Å; R161-Y201 WeakPolarHBondContact CD-OH 3.43Å; R161-Y201 HydrophobicContact CG-CE1 4.33Å; R161-Y201 PolarHBondContact N-O 3.48Å; R161-Y201 PolarHBondContact NH1-OH 3.3Å; R161-Y201 PolarHBondContact O-N 3.36Å; R161-I203 HydrophobicContact CB-CD1 3.9Å
162L91.6Very high83.7Confident20 Ų2072 Ų7211%0.10541%0.412CS..EExtended strand (participates in β ladder)trans-71.8155.3180-56.6179.9000111.7L122 I127 Q130 Q131 E134 H199L122-L162 HydrophobicContact CD1-CD2 4.25Å; I127-L162 HydrophobicContact CB-CD2 4.32Å; I127-L162 HydrophobicContact CG1-CD2 4.11Å; I127-L162 HydrophobicContact CG2-CD1 4.16Å; I127-L162 HydrophobicContact CG2-CD2 3.92Å; Q130-L162 HydrophobicContact CB-CD1 4.08Å; Q130-L162 HydrophobicContact CB-CD2 4.49Å; Q130-L162 HydrophobicContact CB-CG 4.24Å; Q130-L162 HydrophobicContact CG-CD1 3.79Å; Q130-L162 HydrophobicContact CG-CD2 4.12Å; Q130-L162 HydrophobicContact CG-CG 3.56Å; Q131-L162 HydrophobicContact CB-CD1 3.92Å; E134-L162 WeakPolarHBondContact OE1-CB 3.34Å; E134-L162 PolarHBondContact OE1-N 3.37Å; L162-H199 WeakPolarHBondContact CA-O 3.15Å
163I88Confident83.3Confident16 Ų1669.3 Ų69.38%0.08240%0.402CS..  trans-99.9136168.4-63166.2000107.1A165 M168 P174 R198 H199 Y201I163-A165 PolarHBondContact O-N 3.23Å; I163-A165 VanDerWaalsContact O-N 3.09Å; I163-M168 HydrophobicContact CG2-CG 3.92Å; I163-P174 HydrophobicContact CB-CB 4.47Å; I163-P174 HydrophobicContact CD1-CB 4.33Å; I163-P174 HydrophobicContact CD1-CG 4.03Å; I163-P174 HydrophobicContact CG1-CB 4.2Å; I163-P174 HydrophobicContact CG1-CG 4.43Å; I163-P174 HydrophobicContact CG2-CB 3.49Å; I163-P174 VanDerWaalsContact CG2-CB 3.49Å; I163-P174 HydrophobicContact CG2-CG 4.21Å; I163-R198 WeakPolarHBondContact CD1-O 3.31Å; I163-H199 PolarHBondContact N-O 2.98Å; I163-Y201 HydrophobicContact CD1-CD1 4.42Å; I163-Y201 HydrophobicContact CG1-CD1 3.72Å
164N82Confident83Confident93 Ų9366.9 Ų66.950%0.49737%0.37SS..  trans-63.8115.7173.7-168.7-33.5000109.9N166 M167 M168N164-N166 PolarHBondContact O-N 3.11Å; N164-N166 VanDerWaalsContact O-N 3.11Å; N164-N166 WeakPolarHBondContact OD1-CB 3.47Å; N164-N166 PolarHBondContact OD1-N 2.9Å; N164-M167 HydrophobicContact CB-CG 4.12Å; N164-M167 HydrophobicContact CB-SD 4.21Å; N164-M167 WeakPolarHBondContact O-CB 3.23Å; N164-M167 PolarHBondContact O-N 3.2Å; N164-M168 PolarHBondContact O-N 2.63Å
165A77.2Confident82.6Confident59 Ų5961.4 Ų61.449%0.48835%0.345SS..Hα-helixtrans-57.9-28.8-177.700000112.7I163 M168 V169I163-A165 PolarHBondContact O-N 3.23Å; I163-A165 VanDerWaalsContact O-N 3.09Å; A165-M168 PolarHBondContact O-N 2.83Å; A165-V169 WeakPolarHBondContact O-CG2 3.4Å; A165-V169 PolarHBondContact O-N 3.04Å
166N76.6Confident82Confident115 Ų11564.1 Ų64.162%0.61535%0.354SS*.Hα-helixtrans-65.5-40.8176.9-64.7-26000111.1N164 M168 V169 L170N164-N166 PolarHBondContact O-N 3.11Å; N164-N166 VanDerWaalsContact O-N 3.11Å; N164-N166 WeakPolarHBondContact OD1-CB 3.47Å; N164-N166 PolarHBondContact OD1-N 2.9Å; N166-M168 VanDerWaalsContact C-N 3.29Å; N166-M168 PolarHBondContact O-N 3.05Å; N166-V169 PolarHBondContact O-N 3.28Å; N166-L170 WeakPolarHBondContact O-CD1 3.27Å; N166-L170 PolarHBondContact O-N 2.92Å
167M74.6Confident81.3Confident78 Ų7866.8 Ų66.838%0.38437%0.371SS..Hα-helixtrans-64-35.9179.6-67-177.971.100112.2N164 L170 G171 H172N164-M167 HydrophobicContact CB-CG 4.12Å; N164-M167 HydrophobicContact CB-SD 4.21Å; N164-M167 WeakPolarHBondContact O-CB 3.23Å; N164-M167 PolarHBondContact O-N 3.2Å; M167-L170 PolarHBondContact O-N 2.82Å; M167-G171 PolarHBondContact O-N 3.07Å; M167-H172 PolarHBondContact O-N 3.24Å
168M73.3Confident80.5Confident74 Ų7470.6 Ų70.637%0.36540%0.395SS..Hα-helixtrans-63.5-43175.2-72.3-162.478.700113.3I163 N164 A165 N166 L170 G171 R198I163-M168 HydrophobicContact CG2-CG 3.92Å; N164-M168 PolarHBondContact O-N 2.63Å; A165-M168 PolarHBondContact O-N 2.83Å; N166-M168 VanDerWaalsContact C-N 3.29Å; N166-M168 PolarHBondContact O-N 3.05Å; M168-L170 PolarHBondContact O-N 3.19Å; M168-G171 PolarHBondContact O-N 3.27Å; M168-R198 HydrophobicContact CE-CB 4.25Å; M168-R198 HydrophobicContact CE-CG 3.57Å; M168-R198 HydrophobicContact SD-CG 4.02Å
169V76Confident79.5Confident132 Ų13269.2 Ų69.280%0.839%0.389SS*.Hα-helixtrans-65.3-32.9-179.8174.90000110.7A165 N166 G171A165-V169 WeakPolarHBondContact O-CG2 3.4Å; A165-V169 PolarHBondContact O-N 3.04Å; N166-V169 PolarHBondContact O-N 3.28Å; V169-G171 PolarHBondContact O-N 3.08Å
170L77.4Confident78.6Confident123 Ų12375 Ų7564%0.64442%0.42SS*.THydrogen-bonded Turntrans-75.6-3173.2-79.8112.1000114N166 M167 M168 H172N166-L170 WeakPolarHBondContact O-CD1 3.27Å; N166-L170 PolarHBondContact O-N 2.92Å; M167-L170 PolarHBondContact O-N 2.82Å; M168-L170 PolarHBondContact O-N 3.19Å; L170-H172 PolarHBondContact O-N 3.03Å
171G73.5Confident77.8Confident67 Ų6777.6 Ų77.669%0.69143%0.434SS*.THydrogen-bonded Turntrans67.514.9179.300000114.3M167 M168 V169M167-G171 PolarHBondContact O-N 3.07Å; M168-G171 PolarHBondContact O-N 3.27Å; V169-G171 PolarHBondContact O-N 3.08Å
172H75.6Confident76.5Confident122 Ų12278.4 Ų78.457%0.56545%0.446SS*.  trans-78.7136.5173.6-76.6-70.8000110M167 L170M167-H172 PolarHBondContact O-N 3.24Å; L170-H172 PolarHBondContact O-N 3.03Å
173E70.9Confident75.4Confident159 Ų15983.9 Ų83.974%0.74347%0.471SS*.  trans-60.5128.4169.8-73.3-166.2160.200109.4R175E173-R175 PolarHBondContact O-N 2.83Å
174P72.8Confident74.5Confident43 Ų4388.9 Ų88.928%0.27950%0.497SS..SBendtrans-72.9-15.9-170.428.8-36.1000113.2V25 I163V25-P174 VanDerWaalsContact CG2-O 3.3Å; V25-P174 WeakPolarHBondContact CG2-O 3.31Å; I163-P174 HydrophobicContact CB-CB 4.47Å; I163-P174 HydrophobicContact CD1-CB 4.33Å; I163-P174 HydrophobicContact CD1-CG 4.03Å; I163-P174 HydrophobicContact CG1-CB 4.2Å; I163-P174 HydrophobicContact CG1-CG 4.43Å; I163-P174 HydrophobicContact CG2-CB 3.49Å; I163-P174 VanDerWaalsContact CG2-CB 3.49Å; I163-P174 HydrophobicContact CG2-CG 4.21Å
175R77Confident74Confident30 Ų3089.7 Ų89.711%0.11350%0.501CS..SBendtrans-136.9144.3-178.6-64.817576.8-178.815.4110.3V25 D26 T27 E173 S202V25-R175 HydrophobicContact CG2-CG 3.86Å; V25-R175 VanDerWaalsContact O-CA 3.23Å; V25-R175 WeakPolarHBondContact O-CA 3.41Å; V25-R175 WeakPolarHBondContact O-CB 3.3Å; D26-R175 PolarHBondContact O-NE 2.7Å; D26-R175 PolarHBondContact O-NH2 2.79Å; T27-R175 VanDerWaalsContact CA-CZ 3.45Å; T27-R175 HydrophobicContact CG2-CB 4.09Å; T27-R175 PolarHBondContact O-NH2 3.22Å; E173-R175 PolarHBondContact O-N 2.83Å; R175-S202 PolarHBondContact NH1-O 2.72Å
176Q77.6Confident73.9Confident113 Ų11396.6 Ų96.653%0.52852%0.52SS..BIsolated β-bridgetrans-80129.2165.8-70-175.92.100108.9A24 V25 D26 T27 T178A24-Q176 HydrophobicContact CB-CG 3.68Å; V25-Q176 PolarHBondContact O-N 3.5Å; D26-Q176 WeakPolarHBondContact CA-O 3.46Å; T27-Q176 PolarHBondContact N-O 3.02Å; Q176-T178 PolarHBondContact O-N 2.83Å
177T77.8Confident73.8Confident80 Ų8094.4 Ų94.449%0.49151%0.513SS..  trans-93.190.2177.1-57.60000109.8T27T27-T177 HydrophobicContact CG2-CG2 4.15Å; T27-T177 WeakPolarHBondContact CG2-OG1 3.34Å; T27-T177 WeakPolarHBondContact OG1-CA 3.37Å
178T75.7Confident74.1Confident94 Ų9493.6 Ų93.658%0.57752%0.515SS*.  trans-91.1-19175.574.20000112.3D26 Q176D26-T178 PolarHBondContact OD1-N 2.83Å; D26-T178 PolarHBondContact OD1-OG1 2.98Å; D26-T178 WeakPolarHBondContact OD2-CB 3.44Å; D26-T178 VanDerWaalsContact OD2-CG2 3.23Å; D26-T178 WeakPolarHBondContact OD2-CG2 3.3Å; D26-T178 PolarHBondContact OD2-OG1 3.09Å; Q176-T178 PolarHBondContact O-N 2.83Å
179S73.9Confident74.4Confident23 Ų2396.4 Ų96.416%0.16153%0.529CS..  trans-134.9155.5-175.974.60000113.6T27 A28 L181T27-S179 PolarHBondContact OG1-O 3.45Å; A28-S179 WeakPolarHBondContact CA-OG 3.36Å; A28-S179 WeakPolarHBondContact CB-OG 3.43Å; S179-L181 VanDerWaalsContact C-N 3.29Å
180N74.9Confident74.6Confident120 Ų12094.9 Ų94.964%0.64251%0.514SS*.SBendtrans-79.3-8174.157.5-31.6000113.4G182 H183N180-G182 VanDerWaalsContact C-N 3.32Å; N180-G182 PolarHBondContact O-N 3.49Å; N180-H183 PolarHBondContact O-N 3.33Å; N180-H183 VanDerWaalsContact O-N 3.11Å
181L74.9Confident74.8Confident57 Ų5789.2 Ų89.230%0.29848%0.484SS..G310 helixtrans-62-39.7-174.8-83.177.7000112.4S179 H183 L184S179-L181 VanDerWaalsContact C-N 3.29Å; L181-H183 PolarHBondContact O-N 3.47Å; L181-H183 VanDerWaalsContact O-N 3.11Å; L181-L184 HydrophobicContact CB-CD1 4.37Å; L181-L184 HydrophobicContact CG-CD1 4.21Å; L181-L184 WeakPolarHBondContact O-CB 3.31Å; L181-L184 PolarHBondContact O-N 2.89Å
182G65.4Low75.3Confident29 Ų2990.7 Ų90.730%0.29948%0.476SS..G310 helixtrans-63.3-15178.100000114.9N180N180-G182 VanDerWaalsContact C-N 3.32Å; N180-G182 PolarHBondContact O-N 3.49Å
183H69Low75.8Confident135 Ų13591 Ų9163%0.62548%0.481SS*.G310 helixtrans-106.73-178.5-64.695.2000113.6N180 L181N180-H183 PolarHBondContact O-N 3.33Å; N180-H183 VanDerWaalsContact O-N 3.11Å; L181-H183 PolarHBondContact O-N 3.47Å; L181-H183 VanDerWaalsContact O-N 3.11Å
184L68.1Low76.3Confident121 Ų12187.5 Ų87.563%0.63446%0.464SS*.SBendtrans-68.8-36.4-177.9-78.2164.6000112.7L181L181-L184 HydrophobicContact CB-CD1 4.37Å; L181-L184 HydrophobicContact CG-CD1 4.21Å; L181-L184 WeakPolarHBondContact O-CB 3.31Å; L181-L184 PolarHBondContact O-N 2.89Å
185N71.5Confident76.6Confident110 Ų11085.9 Ų85.959%0.58846%0.455SS*.SBendtrans-98.5119.1-178.3-70.7-16.3000110.3
186K74.8Confident76.9Confident203 Ų20384.9 Ų84.988%0.88345%0.452SS*.PPolyproline II helixtrans-71.8124.9172.2-70.6-172.3178.8-178.50109.2
187P75.8Confident77.1Confident70 Ų7084.6 Ų84.646%0.45545%0.454SS..PPolyproline II helixtrans-68.2152.7179.428-34.5000111.9L196P187-L196 HydrophobicContact CB-CD2 3.19Å; P187-L196 HydrophobicContact CG-CD2 4.01Å
188S79.4Confident77.3Confident61 Ų6188.2 Ų88.243%0.42746%0.459SS..PPolyproline II helixtrans-64.61431711780000110.8Q190 A191 L192S188-Q190 PolarHBondContact O-N 3.08Å; S188-Q190 PolarHBondContact OG-N 3.46Å; S188-A191 PolarHBondContact O-N 3.16Å; S188-A191 VanDerWaalsContact O-N 3.13Å; S188-L192 PolarHBondContact O-N 2.74Å; S188-L192 VanDerWaalsContact O-N 3.09Å
189I80.6Confident77.8Confident132 Ų13287.7 Ų87.768%0.67745%0.45SS*.Hα-helixtrans-57.3-37.8174.4-64.6167.5000110.4L192 I193I189-L192 PolarHBondContact O-N 3.26Å; I189-I193 HydrophobicContact CG2-CD1 4.01Å; I189-I193 WeakPolarHBondContact O-CG1 3.25Å; I189-I193 PolarHBondContact O-N 3.03Å
190Q80.8Confident78.6Confident100 Ų10086.6 Ų86.647%0.46744%0.442SS..Hα-helixtrans-62.1-46.2177.4-70.2168.9-31.800111.1S188 L192 I193 H194S188-Q190 PolarHBondContact O-N 3.08Å; S188-Q190 PolarHBondContact OG-N 3.46Å; Q190-L192 VanDerWaalsContact C-N 3.28Å; Q190-L192 PolarHBondContact O-N 3.26Å; Q190-I193 PolarHBondContact O-N 3.07Å; Q190-H194 PolarHBondContact O-CD2 2.88Å; Q190-H194 PolarHBondContact O-N 2.63Å
191A81.5Confident79.3Confident4 Ų481.3 Ų81.33%0.03341%0.413CS..Hα-helixtrans-61.7-37.5177.100000112.2W121 S188 H194 G195 L196W121-A191 HydrophobicContact CB-CB 4.21Å; S188-A191 PolarHBondContact O-N 3.16Å; S188-A191 VanDerWaalsContact O-N 3.13Å; A191-H194 CarbonylContact O-C 3.6Å; A191-H194 PolarHBondContact O-N 3.23Å; A191-G195 PolarHBondContact O-N 2.76Å; A191-L196 HydrophobicContact CB-CB 4.31Å; A191-L196 HydrophobicContact CB-CD2 4.09Å; A191-L196 WeakPolarHBondContact O-CB 3.42Å; A191-L196 PolarHBondContact O-N 3.04Å
192L84.4Confident80Confident98 Ų9880.4 Ų80.451%0.51341%0.411SS..Hα-helixtrans-64.8-40176-167.965.5000112.3S188 I189 Q190 H194 G195S188-L192 PolarHBondContact O-N 2.74Å; S188-L192 VanDerWaalsContact O-N 3.09Å; I189-L192 PolarHBondContact O-N 3.26Å; Q190-L192 VanDerWaalsContact C-N 3.28Å; Q190-L192 PolarHBondContact O-N 3.26Å; L192-H194 VanDerWaalsContact C-N 3.3Å; L192-H194 PolarHBondContact O-N 2.85Å; L192-G195 PolarHBondContact O-N 3.26Å
193I84.4Confident81.2Confident129 Ų12979 Ų7966%0.66240%0.397SS*.Hα-helixtrans-63.5-38.9174.9-67.9165.6000110.9I189 Q190 G195I189-I193 HydrophobicContact CG2-CD1 4.01Å; I189-I193 WeakPolarHBondContact O-CG1 3.25Å; I189-I193 PolarHBondContact O-N 3.03Å; Q190-I193 PolarHBondContact O-N 3.07Å; I193-G195 PolarHBondContact O-N 3.01Å
194H81.9Confident82.3Confident85 Ų8573.6 Ų73.639%0.39437%0.374SS..THydrogen-bonded Turntrans-8315.9179.1-71.1-73.2000114.2W121 Q190 A191 L192 Y200W121-H194 HydrophobicContact CB-CB 4.24Å; W121-H194 HydrophobicContact CD2-CB 4.09Å; W121-H194 AromaticContact CD2-CD2 3.77Å; W121-H194 AromaticContact CD2-CG 3.82Å; W121-H194 HydrophobicContact CE3-CB 3.68Å; W121-H194 AromaticContact CE3-CD2 3.88Å; W121-H194 AromaticContact CE3-CG 3.47Å; W121-H194 VanDerWaalsContact CE3-CG 3.47Å; W121-H194 AromaticContact CE3-ND1 3.69Å; W121-H194 HydrophobicContact CG-CB 4.32Å; W121-H194 AromaticContact CH2-CE1 3.96Å; W121-H194 HydrophobicContact CZ3-CB 4.43Å; W121-H194 AromaticContact CZ3-CE1 3.83Å; W121-H194 AromaticContact CZ3-CG 3.87Å; W121-H194 AromaticContact CZ3-ND1 3.57Å; Q190-H194 PolarHBondContact O-CD2 2.88Å; Q190-H194 PolarHBondContact O-N 2.63Å; A191-H194 CarbonylContact O-C 3.6Å; A191-H194 PolarHBondContact O-N 3.23Å; L192-H194 VanDerWaalsContact C-N 3.3Å; L192-H194 PolarHBondContact O-N 2.85Å; H194-Y200 WeakPolarHBondContact O-CE1 3.16Å; H194-Y200 PolarHBondContact O-OH 3.43Å
195G79.1Confident83.4Confident9 Ų969.2 Ų69.29%0.09335%0.351CS..THydrogen-bonded Turntrans9419.3166.700000116A191 L192 I193 R198 H199A191-G195 PolarHBondContact O-N 2.76Å; L192-G195 PolarHBondContact O-N 3.26Å; I193-G195 PolarHBondContact O-N 3.01Å; G195-R198 CarbonylContact O-C 3.49Å; G195-R198 WeakPolarHBondContact O-CA 3.4Å; G195-R198 WeakPolarHBondContact O-CB 3.36Å; G195-R198 PolarHBondContact O-N 3.45Å; G195-H199 PolarHBondContact O-N 3.36Å
196L82.6Confident84.4Confident9 Ų966.8 Ų66.85%0.04734%0.338CS..BIsolated β-bridgetrans-58.2136.7166.6-174.371.4000110.7F160 P187 A191 R198 Y200F160-L196 HydrophobicContact CD1-CD1 4.11Å; F160-L196 HydrophobicContact CE1-CD1 3.93Å; P187-L196 HydrophobicContact CB-CD2 3.19Å; P187-L196 HydrophobicContact CG-CD2 4.01Å; A191-L196 HydrophobicContact CB-CB 4.31Å; A191-L196 HydrophobicContact CB-CD2 4.09Å; A191-L196 WeakPolarHBondContact O-CB 3.42Å; A191-L196 PolarHBondContact O-N 3.04Å; L196-R198 PolarHBondContact O-N 3.04Å; L196-Y200 HydrophobicContact CB-CE2 3.97Å; L196-Y200 HydrophobicContact CD1-CD2 3.69Å; L196-Y200 HydrophobicContact CD1-CE2 3.68Å; L196-Y200 HydrophobicContact CG-CE2 4.45Å
197N81.8Confident85.2Confident107 Ų10761.5 Ų61.557%0.57231%0.313SS*.THydrogen-bonded Turntrans665.5-170.5-56.2-29000115.1Y200N197-Y200 PolarHBondContact N-O 2.89Å
198R83.6Confident85.8Confident156 Ų15664.1 Ų64.159%0.58931%0.314SS*.THydrogen-bonded Turntrans-110.5-70.2169.1-168.2-177.6173.5136.5-1.9109.3I163 M168 G195 L196I163-R198 WeakPolarHBondContact CD1-O 3.31Å; M168-R198 HydrophobicContact CE-CB 4.25Å; M168-R198 HydrophobicContact CE-CG 3.57Å; M168-R198 HydrophobicContact SD-CG 4.02Å; G195-R198 CarbonylContact O-C 3.49Å; G195-R198 WeakPolarHBondContact O-CA 3.4Å; G195-R198 WeakPolarHBondContact O-CB 3.36Å; G195-R198 PolarHBondContact O-N 3.45Å; L196-R198 PolarHBondContact O-N 3.04Å
199H86.6Confident86.2Confident83 Ų8368.2 Ų68.238%0.38432%0.324SS..THydrogen-bonded Turntrans-88.8-26.2-175.9-64.2-64.5000113.3I127 L162 I163 G195I127-H199 HydrophobicContact CD1-CB 4.17Å; L162-H199 WeakPolarHBondContact CA-O 3.15Å; I163-H199 PolarHBondContact N-O 2.98Å; G195-H199 PolarHBondContact O-N 3.36Å
200Y90.1Very high86.7Confident0 Ų065.2 Ų65.20%031%0.309CS..EExtended strand (participates in β ladder)trans-150.8162-178.152.5-91.6000110.6L122 I127 F160 R161 H194 L196 N197L122-Y200 HydrophobicContact CB-CD1 4.11Å; L122-Y200 HydrophobicContact CB-CE1 3.81Å; L122-Y200 HydrophobicContact CD1-CD1 4.07Å; L122-Y200 HydrophobicContact CD1-CD2 4.33Å; L122-Y200 HydrophobicContact CD1-CG 3.96Å; L122-Y200 HydrophobicContact CG-CD1 4.45Å; L122-Y200 HydrophobicContact CG-CE1 4.46Å; L122-Y200 HydrophobicContact CG-CE2 4.49Å; L122-Y200 HydrophobicContact CG-CG 4.48Å; L122-Y200 PolarHBondContact N-OH 3.25Å; I127-Y200 HydrophobicContact CD1-CD1 4.19Å; I127-Y200 HydrophobicContact CD1-CE1 4.16Å; I127-Y200 HydrophobicContact CG1-CD1 4.33Å; F160-Y200 HydrophobicContact CB-CD2 4.27Å; F160-Y200 AromaticContact CD1-CD2 3.75Å; F160-Y200 HydrophobicContact CD1-CD2 3.75Å; F160-Y200 HydrophobicContact CD1-CE2 4.04Å; F160-Y200 HydrophobicContact CE1-CD2 4.38Å; F160-Y200 HydrophobicContact CE1-CE2 4.24Å; F160-Y200 HydrophobicContact CG-CD2 4.11Å; F160-Y200 HydrophobicContact CG-CE2 4.46Å; R161-Y200 CarbonylContact O-C 3.46Å; R161-Y200 WeakPolarHBondContact O-CA 3.43Å; R161-Y200 WeakPolarHBondContact O-CB 3.29Å; H194-Y200 WeakPolarHBondContact O-CE1 3.16Å; H194-Y200 PolarHBondContact O-OH 3.43Å; L196-Y200 HydrophobicContact CB-CE2 3.97Å; L196-Y200 HydrophobicContact CD1-CD2 3.69Å; L196-Y200 HydrophobicContact CD1-CE2 3.68Å; L196-Y200 HydrophobicContact CG-CE2 4.45Å; N197-Y200 PolarHBondContact N-O 2.89Å
201Y89.4Confident87.3Confident9 Ų967.5 Ų67.54%0.03532%0.32CS..EExtended strand (participates in β ladder)trans-122.3156175.364.1-94.4000110.9E29 F160 R161 I163 I203E29-Y201 PolarHBondContact OE2-OH 2.91Å; F160-Y201 VanDerWaalsContact CA-O 3.3Å; F160-Y201 WeakPolarHBondContact CA-O 3.49Å; R161-Y201 HydrophobicContact CB-CE1 3.96Å; R161-Y201 HydrophobicContact CB-CE2 4.25Å; R161-Y201 WeakPolarHBondContact CD-OH 3.43Å; R161-Y201 HydrophobicContact CG-CE1 4.33Å; R161-Y201 PolarHBondContact N-O 3.48Å; R161-Y201 PolarHBondContact NH1-OH 3.3Å; R161-Y201 PolarHBondContact O-N 3.36Å; I163-Y201 HydrophobicContact CD1-CD1 4.42Å; I163-Y201 HydrophobicContact CG1-CD1 3.72Å; Y201-I203 HydrophobicContact CD2-CG1 3.94Å; Y201-I203 HydrophobicContact CE2-CD1 4.03Å; Y201-I203 HydrophobicContact CE2-CG1 3.54Å
202S89.9Confident87.9Confident38 Ų3873.8 Ų73.827%0.26635%0.352SS..EExtended strand (participates in β ladder)trans-85.7139.6174.9178.30000111A159 R175A159-S202 WeakPolarHBondContact O-CA 3.3Å; R175-S202 PolarHBondContact NH1-O 2.72Å
203I90.9Very high88.2Confident1 Ų171.6 Ų71.61%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-109138.4174.4-57.4169.3000108.4E29 V31 V141 A159 R161 Y201 I205E29-I203 HydrophobicContact CB-CG2 4.36Å; E29-I203 HydrophobicContact CG-CG2 4.23Å; E29-I203 VanDerWaalsContact O-CG2 3.31Å; E29-I203 WeakPolarHBondContact O-CG2 3.33Å; V31-I203 HydrophobicContact CG2-CB 4.4Å; V31-I203 HydrophobicContact CG2-CG2 3.74Å; V141-I203 HydrophobicContact CG1-CD1 4.48Å; V141-I203 HydrophobicContact CG2-CD1 4.41Å; A159-I203 HydrophobicContact CB-CB 4.23Å; A159-I203 PolarHBondContact O-N 2.91Å; R161-I203 HydrophobicContact CB-CD1 3.9Å; Y201-I203 HydrophobicContact CD2-CG1 3.94Å; Y201-I203 HydrophobicContact CE2-CD1 4.03Å; Y201-I203 HydrophobicContact CE2-CG1 3.54Å; I203-I205 PolarHBondContact O-N 3.36Å
204T90.4Very high88.5Confident21 Ų2171.2 Ų71.213%0.12934%0.335CS..EExtended strand (participates in β ladder)trans-71.4130.3178.959.50000111.2E29 Q30 V31E29-T204 PolarHBondContact O-OG1 2.98Å; Q30-T204 WeakPolarHBondContact CA-O 3.5Å; Q30-T204 WeakPolarHBondContact CG-OG1 3.41Å; V31-T204 PolarHBondContact N-O 3.38Å
205I91.9Very high89Confident28 Ų2873.4 Ų73.414%0.14434%0.343CS..EExtended strand (participates in β ladder)trans-98.1130.1177.5-61.6175.4000109.1V31 I33 I157 A159 I203 Y207V31-I205 WeakPolarHBondContact O-CA 3.5Å; I33-I205 HydrophobicContact CD1-CD1 4.15Å; I33-I205 HydrophobicContact CD1-CG1 4.46Å; I33-I205 HydrophobicContact CD1-CG2 3.58Å; I33-I205 HydrophobicContact CG1-CG2 3.95Å; I157-I205 HydrophobicContact CD1-CD1 4.23Å; I157-I205 HydrophobicContact CG1-CD1 3.78Å; I157-I205 HydrophobicContact CG2-CD1 4.35Å; A159-I205 HydrophobicContact CB-CD1 3.86Å; A159-I205 HydrophobicContact CB-CG1 3.78Å; I203-I205 PolarHBondContact O-N 3.36Å; I205-Y207 HydrophobicContact CG2-CE1 4.28Å
206N92.4Very high89.6Confident59 Ų5978.4 Ų78.432%0.31637%0.365SS..EExtended strand (participates in β ladder)trans-117.3151.3169.7-76.9-36000110.7Q30 V31 Y32 I33Q30-N206 PolarHBondContact OE1-ND2 2.71Å; V31-N206 PolarHBondContact O-N 3.23Å; Y32-N206 CarbonylContact C-O 3.59Å; Y32-N206 VanDerWaalsContact CA-O 3.31Å; Y32-N206 WeakPolarHBondContact CA-O 3.33Å; Y32-N206 HydrophobicContact CD1-CB 3.51Å; Y32-N206 HydrophobicContact CE1-CB 3.43Å; Y32-N206 VanDerWaalsContact CE1-CB 3.43Å; Y32-N206 HydrophobicContact CG-CB 4.48Å; I33-N206 PolarHBondContact N-O 3.08Å
207Y92.1Very high89.9Confident92 Ų9281.3 Ų81.336%0.36138%0.381SS..EExtended strand (participates in β ladder)trans-105.9126.8178.7-60.2-74.5000110.2I33 L38 I157 I205I33-Y207 HydrophobicContact CB-CD1 4.46Å; L38-Y207 HydrophobicContact CD1-CE1 4.07Å; L38-Y207 HydrophobicContact CD2-CD1 4.07Å; L38-Y207 HydrophobicContact CD2-CE1 3.64Å; L38-Y207 HydrophobicContact CG-CE1 4.38Å; I157-Y207 WeakPolarHBondContact CG2-OH 3.3Å; I205-Y207 HydrophobicContact CG2-CE1 4.28Å
208R87.8Confident90.3Very high125 Ų12581.4 Ų81.447%0.47238%0.38SS..EExtended strand (participates in β ladder)trans-92.8118.9170.2-174.5-180175.7-174.52.8108.9I33I33-R208 PolarHBondContact O-N 2.75Å
209K88Confident90.5Very high148 Ų14877.9 Ų77.964%0.64337%0.373SS*.  trans-117.5120.2175.4-62.5179.9-177.3176.80108.9
210N91.9Very high90.5Very high69 Ų6979.9 Ų79.937%0.36939%0.386SS..  trans-82.3152.1172.8-68.1-21.1000110.2L212 E213 Q214N210-L212 PolarHBondContact O-N 2.78Å; N210-E213 HydrophobicContact CB-CB 4.38Å; N210-E213 HydrophobicContact CB-CG 4.04Å; N210-E213 PolarHBondContact N-OE2 3.08Å; N210-E213 WeakPolarHBondContact O-CB 3.21Å; N210-E213 PolarHBondContact O-N 3.14Å; N210-E213 VanDerWaalsContact O-N 3.15Å; N210-Q214 PolarHBondContact O-N 3Å
211E93.1Very high90Very high147 Ų14788.1 Ų88.169%0.68742%0.424SS*.Hα-helixtrans-58.7-37.4177.9-66.6-173.4-175.400112.7Q214 K215E211-Q214 PolarHBondContact O-N 3.33Å; E211-K215 WeakPolarHBondContact O-CB 3.47Å; E211-K215 VanDerWaalsContact O-CG 3.3Å; E211-K215 WeakPolarHBondContact O-CG 3.32Å; E211-K215 PolarHBondContact O-N 3.45Å
212L93Very high89.6Confident136 Ų13694 Ų9471%0.71245%0.45SS*.Hα-helixtrans-65.3-45.4177.6-168.3159.8000110.8N210 Q214 K215 M216N210-L212 PolarHBondContact O-N 2.78Å; L212-Q214 VanDerWaalsContact C-N 3.32Å; L212-Q214 PolarHBondContact O-N 2.88Å; L212-K215 PolarHBondContact O-N 3.33Å; L212-M216 WeakPolarHBondContact O-CB 3.5Å; L212-M216 PolarHBondContact O-N 3.13Å
213E90.8Very high89Confident53 Ų53100.4 Ų100.425%0.24847%0.473CS..Hα-helixtrans-61.3-43.8175.6-66.2176.1165.800110.8S35 N210 M216 L217S35-E213 PolarHBondContact OG-OE2 3.41Å; N210-E213 HydrophobicContact CB-CB 4.38Å; N210-E213 HydrophobicContact CB-CG 4.04Å; N210-E213 PolarHBondContact N-OE2 3.08Å; N210-E213 WeakPolarHBondContact O-CB 3.21Å; N210-E213 PolarHBondContact O-N 3.14Å; N210-E213 VanDerWaalsContact O-N 3.15Å; E213-M216 PolarHBondContact O-N 2.84Å; E213-L217 VanDerWaalsContact O-CB 3.31Å; E213-L217 WeakPolarHBondContact O-CB 3.19Å; E213-L217 VanDerWaalsContact O-CG 3.23Å; E213-L217 WeakPolarHBondContact O-CG 3.36Å; E213-L217 PolarHBondContact O-N 3.19Å
214Q91Very high88.5Confident120 Ų120102.6 Ų102.656%0.56149%0.488SS*.Hα-helixtrans-62.8-45.2178.1-175.4174.4-14.800111.4N210 E211 L212 L217 L218N210-Q214 PolarHBondContact O-N 3Å; E211-Q214 PolarHBondContact O-N 3.33Å; L212-Q214 VanDerWaalsContact C-N 3.32Å; L212-Q214 PolarHBondContact O-N 2.88Å; Q214-L217 PolarHBondContact O-N 3.15Å; Q214-L218 WeakPolarHBondContact O-CB 3.46Å; Q214-L218 PolarHBondContact O-N 2.63Å
215K92.2Very high88Confident132 Ų132110.8 Ų110.857%0.57452%0.517SS*.Hα-helixtrans-61.4-43.4175.3-74.2171.7-176.7169.60111.6E211 L212 N219E211-K215 WeakPolarHBondContact O-CB 3.47Å; E211-K215 VanDerWaalsContact O-CG 3.3Å; E211-K215 WeakPolarHBondContact O-CG 3.32Å; E211-K215 PolarHBondContact O-N 3.45Å; L212-K215 PolarHBondContact O-N 3.33Å; K215-N219 PolarHBondContact O-N 3.13Å; K215-N219 VanDerWaalsContact O-N 3.08Å; K215-N219 PolarHBondContact O-ND2 3.34Å
216M92Very high87.4Confident113 Ų113114.1 Ų114.156%0.55753%0.533SS*.Hα-helixtrans-63.5-49.3177.4178.960.5-178.500111.9L212 E213 L218 N219 L220L212-M216 WeakPolarHBondContact O-CB 3.5Å; L212-M216 PolarHBondContact O-N 3.13Å; E213-M216 PolarHBondContact O-N 2.84Å; M216-L218 VanDerWaalsContact C-N 3.33Å; M216-L218 PolarHBondContact O-N 2.61Å; M216-N219 WeakPolarHBondContact O-CB 3.3Å; M216-N219 PolarHBondContact O-N 3.46Å; M216-L220 PolarHBondContact O-N 3.11Å
217L89.4Confident86.8Confident71 Ų71116.5 Ų116.537%0.37254%0.543SS..Hα-helixtrans-65.7-36178.9-70.1173.4000112E213 Q214 N219 L220E213-L217 VanDerWaalsContact O-CB 3.31Å; E213-L217 WeakPolarHBondContact O-CB 3.19Å; E213-L217 VanDerWaalsContact O-CG 3.23Å; E213-L217 WeakPolarHBondContact O-CG 3.36Å; E213-L217 PolarHBondContact O-N 3.19Å; Q214-L217 PolarHBondContact O-N 3.15Å; L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 PolarHBondContact O-N 3.01Å; L217-L220 HydrophobicContact CD2-CD1 4.08Å; L217-L220 PolarHBondContact O-N 2.81Å
218L90.3Very high86Confident108 Ų108114.4 Ų114.457%0.56555%0.549SS*.Hα-helixtrans-64.9-35.6175-166.777.5000111.3Q214 M216 L220 H221Q214-L218 WeakPolarHBondContact O-CB 3.46Å; Q214-L218 PolarHBondContact O-N 2.63Å; M216-L218 VanDerWaalsContact C-N 3.33Å; M216-L218 PolarHBondContact O-N 2.61Å; L218-L220 VanDerWaalsContact C-N 3.3Å; L218-L220 PolarHBondContact O-N 3.16Å; L218-H221 PolarHBondContact O-N 3.11Å
219N88Confident85.6Confident83 Ų83111.5 Ų111.544%0.44454%0.542SS..Hα-helixtrans-66.7-29.5177.3-72.1-20.5000113K215 M216 L217 H221 K222K215-N219 PolarHBondContact O-N 3.13Å; K215-N219 VanDerWaalsContact O-N 3.08Å; K215-N219 PolarHBondContact O-ND2 3.34Å; M216-N219 WeakPolarHBondContact O-CB 3.3Å; M216-N219 PolarHBondContact O-N 3.46Å; L217-N219 VanDerWaalsContact C-N 3.29Å; L217-N219 PolarHBondContact O-N 3.01Å; N219-H221 PolarHBondContact O-N 2.83Å; N219-K222 WeakPolarHBondContact O-CB 3.1Å; N219-K222 PolarHBondContact O-N 2.79Å; N219-K222 VanDerWaalsContact O-N 3.14Å; N219-K222 VanDerWaalsContact OD1-CE 3.29Å; N219-K222 WeakPolarHBondContact OD1-CE 3.02Å; N219-K222 PolarHBondContact OD1-NZ 3.29Å
220L85.1Confident85.5Confident125 Ų125108.6 Ų108.665%0.65454%0.537SS*.Hα-helixtrans-65.1-28.1176.2-70.3169.7000113.1M216 L217 L218M216-L220 PolarHBondContact O-N 3.11Å; L217-L220 HydrophobicContact CD2-CD1 4.08Å; L217-L220 PolarHBondContact O-N 2.81Å; L218-L220 VanDerWaalsContact C-N 3.3Å; L218-L220 PolarHBondContact O-N 3.16Å
221H80.5Confident85.3Confident173 Ų173108.1 Ų108.180%0.80153%0.534SS*.THydrogen-bonded Turntrans-87.3-5.2176.8-80.9-75000113.4L218 N219L218-H221 PolarHBondContact O-N 3.11Å; N219-H221 PolarHBondContact O-N 2.83Å
222K81.5Confident85Confident131 Ų131106.3 Ų106.357%0.5753%0.526SS*.SBendtrans-74.3132.2176.4-68.6-179.31801710109.1N219N219-K222 WeakPolarHBondContact O-CB 3.1Å; N219-K222 PolarHBondContact O-N 2.79Å; N219-K222 VanDerWaalsContact O-N 3.14Å; N219-K222 VanDerWaalsContact OD1-CE 3.29Å; N219-K222 WeakPolarHBondContact OD1-CE 3.02Å; N219-K222 PolarHBondContact OD1-NZ 3.29Å
223K75.9Confident85Confident173 Ų173105 Ų10575%0.75252%0.519SS*.PPolyproline II helixtrans-60.6152.6170.1-67.7-173.7176.1-1720110.1W225K223-W225 PolarHBondContact O-N 3.23Å
224S81.7Confident85.1Confident47 Ų47108.6 Ų108.633%0.32953%0.532SS..PPolyproline II helixtrans-58.4133.9172.8-179.60000109.3M226 E227S224-M226 PolarHBondContact O-N 3.26Å; S224-M226 PolarHBondContact OG-N 2.99Å; S224-E227 WeakPolarHBondContact O-CB 3.49Å; S224-E227 PolarHBondContact O-N 3.48Å; S224-E227 VanDerWaalsContact O-N 3.11Å
225W79.4Confident85.2Confident194 Ų194106.5 Ų106.574%0.73553%0.53SS*.G310 helixtrans-60.7-26.7177.665.3-90000112K223 E227 L229K223-W225 PolarHBondContact O-N 3.23Å; W225-E227 VanDerWaalsContact C-N 3.35Å; W225-L229 HydrophobicContact CE3-CD1 3.6Å; W225-L229 HydrophobicContact CZ3-CD1 3.54Å
226M80.1Confident85.3Confident97 Ų97106.1 Ų106.148%0.47853%0.53SS..G310 helixtrans-68.9-31.7178.2-62.9-179.8-70.500112.2S224 G228 L229 T230S224-M226 PolarHBondContact O-N 3.26Å; S224-M226 PolarHBondContact OG-N 2.99Å; M226-G228 PolarHBondContact O-N 3.17Å; M226-G228 VanDerWaalsContact O-N 3.09Å; M226-L229 CarbonylContact O-C 3.59Å; M226-L229 PolarHBondContact O-N 3.35Å; M226-T230 WeakPolarHBondContact O-CG2 3.39Å; M226-T230 PolarHBondContact O-N 3.03Å; M226-T230 PolarHBondContact O-OG1 3.28Å
227E78.8Confident85.3Confident110 Ų110101.3 Ų101.351%0.51451%0.506SS..G310 helixtrans-58.3-28.2-179.5-77.3170.4-153.300112.5S224 W225 T230S224-E227 WeakPolarHBondContact O-CB 3.49Å; S224-E227 PolarHBondContact O-N 3.48Å; S224-E227 VanDerWaalsContact O-N 3.11Å; W225-E227 VanDerWaalsContact C-N 3.35Å; E227-T230 PolarHBondContact O-OG1 3.28Å
228G75.1Confident85.5Confident47 Ų47101.5 Ų101.549%0.48551%0.513SS..G310 helixtrans-83.8-1217700000115M226M226-G228 PolarHBondContact O-N 3.17Å; M226-G228 VanDerWaalsContact O-N 3.09Å
229L80.5Confident85.7Confident65 Ų65102.5 Ų102.534%0.3451%0.513SS..THydrogen-bonded Turntrans-112.8-5.3-179.3-63171.6000112.3W225 M226 F309W225-L229 HydrophobicContact CE3-CD1 3.6Å; W225-L229 HydrophobicContact CZ3-CD1 3.54Å; M226-L229 CarbonylContact O-C 3.59Å; M226-L229 PolarHBondContact O-N 3.35Å; L229-F309 HydrophobicContact CD2-CE2 4.35Å
230T85.5Confident86Confident87 Ų87102.1 Ų102.153%0.53451%0.51SS..PPolyproline II helixtrans-93124.1173.653.40000109.5M226 E227M226-T230 WeakPolarHBondContact O-CG2 3.39Å; M226-T230 PolarHBondContact O-N 3.03Å; M226-T230 PolarHBondContact O-OG1 3.28Å; E227-T230 PolarHBondContact O-OG1 3.28Å
231L86.9Confident86.4Confident58 Ų5897.7 Ų97.730%0.30449%0.487SS..PPolyproline II helixtrans-81.8139.6167.9-67.1164.7000109.7Y234 A301 A302 D305L231-Y234 HydrophobicContact CD1-CE2 4.45Å; L231-A301 HydrophobicContact CD2-CB 3.59Å; L231-A301 HydrophobicContact CG-CB 4.48Å; L231-A302 HydrophobicContact CD1-CB 4.49Å; L231-A302 HydrophobicContact CD2-CB 3.97Å; L231-D305 VanDerWaalsContact CD1-OD2 3.24Å; L231-D305 WeakPolarHBondContact CD1-OD2 3.35Å; L231-D305 WeakPolarHBondContact CG-OD2 3.47Å
232Q87.3Confident87.1Confident109 Ų10994.4 Ų94.451%0.50947%0.472SS..PPolyproline II helixtrans-69.9155.7164.8-65-176.8-9.800110.1Y234 Q298Q232-Y234 PolarHBondContact O-N 3.02Å; Q232-Y234 VanDerWaalsContact O-N 3.16Å; Q232-Q298 VanDerWaalsContact N-OE1 3.09Å; Q232-Q298 PolarHBondContact O-NE2 3.41Å
233D92.8Very high87.7Confident108 Ų10892.4 Ų92.458%0.57847%0.468SS*.PPolyproline II helixtrans-60.5119.1175.5-77.9-24000110.5S235 E236 H237D233-S235 PolarHBondContact O-N 3.09Å; D233-S235 VanDerWaalsContact O-N 3.1Å; D233-E236 HydrophobicContact CB-CB 4.33Å; D233-E236 HydrophobicContact CB-CG 4.06Å; D233-E236 PolarHBondContact O-N 3.3Å; D233-H237 PolarHBondContact O-N 3.27Å
234Y92.4Very high88.6Confident130 Ų13085 Ų8551%0.5144%0.436SS..Hα-helixtrans-54.1-36.4-176.6-77.1-84000112.9L231 Q232 C238 A302L231-Y234 HydrophobicContact CD1-CE2 4.45Å; Q232-Y234 PolarHBondContact O-N 3.02Å; Q232-Y234 VanDerWaalsContact O-N 3.16Å; Y234-C238 WeakPolarHBondContact O-CB 3.37Å; Y234-C238 PolarHBondContact O-N 2.65Å; Y234-C238 PolarHBondContact O-SG 2.96Å; Y234-A302 WeakPolarHBondContact OH-CB 3.3Å
235S94.5Very high89.2Confident75 Ų7586.5 Ų86.552%0.52444%0.443SS..Hα-helixtrans-67.8-34.8179.477.10000113D233 K239D233-S235 PolarHBondContact O-N 3.09Å; D233-S235 VanDerWaalsContact O-N 3.1Å; S235-K239 WeakPolarHBondContact O-CD 3.28Å; S235-K239 VanDerWaalsContact O-CG 3.28Å; S235-K239 WeakPolarHBondContact O-CG 3.29Å; S235-K239 PolarHBondContact O-N 3.13Å
236E93.3Very high89.9Confident125 Ų12582.8 Ų82.858%0.58443%0.432SS*.Hα-helixtrans-77.3-42.1177.6-61.4-167.1156.400110.6D233 C238 K239 L240D233-E236 HydrophobicContact CB-CB 4.33Å; D233-E236 HydrophobicContact CB-CG 4.06Å; D233-E236 PolarHBondContact O-N 3.3Å; E236-C238 PolarHBondContact O-N 3.24Å; E236-K239 PolarHBondContact O-N 3.28Å; E236-L240 WeakPolarHBondContact O-CB 3.35Å; E236-L240 PolarHBondContact O-N 3.21Å
237H92.8Very high90.6Very high11 Ų1183.1 Ų83.15%0.05143%0.433CS..Hα-helixtrans-60.5-43.8176.8-173.1-101.8000112.2D233 K239 L240 N241 S294 N295D233-H237 PolarHBondContact O-N 3.27Å; H237-K239 PolarHBondContact O-N 3.05Å; H237-L240 PolarHBondContact O-N 2.87Å; H237-N241 PolarHBondContact CE1-ND2 3.13Å; H237-N241 PolarHBondContact ND1-ND2 3.43Å; H237-N241 PolarHBondContact O-N 2.93Å; H237-S294 PolarHBondContact NE2-OG 3.35Å; H237-S294 VanDerWaalsContact NE2-OG 3.14Å; H237-N295 PolarHBondContact CE1-OD1 3.43Å
238C92.9Very high91.2Very high76 Ų7679.8 Ų79.851%0.51442%0.417SS..Hα-helixtrans-61.7-41.5174.3-74.10000112.7Y234 E236 L240 N241 E242Y234-C238 WeakPolarHBondContact O-CB 3.37Å; Y234-C238 PolarHBondContact O-N 2.65Å; Y234-C238 PolarHBondContact O-SG 2.96Å; E236-C238 PolarHBondContact O-N 3.24Å; C238-L240 VanDerWaalsContact C-N 3.35Å; C238-N241 PolarHBondContact O-N 2.79Å; C238-E242 PolarHBondContact O-N 2.88Å
239K95.3Very high92.2Very high129 Ų12982.5 Ų82.556%0.56142%0.42SS*.Hα-helixtrans-64.6-40.5176.3-73170.1-174.2172.20111.6S235 E236 H237 E242 N243S235-K239 WeakPolarHBondContact O-CD 3.28Å; S235-K239 VanDerWaalsContact O-CG 3.28Å; S235-K239 WeakPolarHBondContact O-CG 3.29Å; S235-K239 PolarHBondContact O-N 3.13Å; E236-K239 PolarHBondContact O-N 3.28Å; H237-K239 PolarHBondContact O-N 3.05Å; K239-E242 PolarHBondContact O-N 3.39Å; K239-N243 VanDerWaalsContact O-CG 3.22Å; K239-N243 PolarHBondContact O-N 3.37Å; K239-N243 PolarHBondContact O-ND2 3.13Å
240L93.4Very high92.8Very high75 Ų7584 Ų8439%0.39343%0.425SS..Hα-helixtrans-63.4-44.6177.1-175.9142.5000111.1E236 H237 C238 E242 N243 I244E236-L240 WeakPolarHBondContact O-CB 3.35Å; E236-L240 PolarHBondContact O-N 3.21Å; H237-L240 PolarHBondContact O-N 2.87Å; C238-L240 VanDerWaalsContact C-N 3.35Å; L240-E242 PolarHBondContact O-N 3.49Å; L240-N243 PolarHBondContact O-N 2.67Å; L240-I244 HydrophobicContact CD2-CD1 3.48Å; L240-I244 VanDerWaalsContact CD2-CD1 3.48Å; L240-I244 HydrophobicContact CD2-CG1 4.47Å; L240-I244 HydrophobicContact CG-CD1 4.12Å; L240-I244 WeakPolarHBondContact O-CG1 3.12Å; L240-I244 PolarHBondContact O-N 2.94Å
241N94Very high93.2Very high32 Ų3280.3 Ų80.317%0.17140%0.403CS..Hα-helixtrans-59.9-45.5174.1-76.9-26000112.2H237 C238 N243 I244 V245 L291 N295H237-N241 PolarHBondContact CE1-ND2 3.13Å; H237-N241 PolarHBondContact ND1-ND2 3.43Å; H237-N241 PolarHBondContact O-N 2.93Å; C238-N241 PolarHBondContact O-N 2.79Å; N241-N243 VanDerWaalsContact C-N 3.33Å; N241-N243 PolarHBondContact O-N 2.9Å; N241-I244 PolarHBondContact O-N 2.91Å; N241-V245 WeakPolarHBondContact O-CB 3.37Å; N241-V245 VanDerWaalsContact O-CG2 3.25Å; N241-V245 WeakPolarHBondContact O-CG2 3.48Å; N241-V245 PolarHBondContact O-N 3.29Å; N241-L291 WeakPolarHBondContact OD1-CD1 3.23Å; N241-N295 PolarHBondContact ND2-OD1 2.92Å; N241-N295 PolarHBondContact OD1-ND2 2.91Å; N241-N295 VanDerWaalsContact OD1-ND2 3.13Å; N241-N295 PolarHBondContact OD1-OD1 3.47Å
242E94.6Very high93.5Very high104 Ų10479.2 Ų79.249%0.48640%0.402SS..Hα-helixtrans-61.2-42.2178.7-170.4-175.2163.700111.8C238 K239 L240 K246C238-E242 PolarHBondContact O-N 2.88Å; K239-E242 PolarHBondContact O-N 3.39Å; L240-E242 PolarHBondContact O-N 3.49Å; E242-K246 HydrophobicContact CG-CD 4.44Å; E242-K246 VanDerWaalsContact O-CG 3.31Å; E242-K246 WeakPolarHBondContact O-CG 3.44Å; E242-K246 PolarHBondContact O-N 3.44Å; E242-K246 VanDerWaalsContact O-N 3.08Å; E242-K246 VanDerWaalsContact OE1-CE 3.25Å; E242-K246 WeakPolarHBondContact OE1-CE 3.44Å; E242-K246 IonicContact OE1-NZ 3.37Å; E242-K246 PolarHBondContact OE1-NZ 3.12Å
243N95.4Very high93.9Very high88 Ų8879.1 Ų79.147%0.47140%0.4SS..Hα-helixtrans-65-48.5178.3-69.9-19.1000111.8K239 L240 N241 V245 K246 E247K239-N243 VanDerWaalsContact O-CG 3.22Å; K239-N243 PolarHBondContact O-N 3.37Å; K239-N243 PolarHBondContact O-ND2 3.13Å; L240-N243 PolarHBondContact O-N 2.67Å; N241-N243 VanDerWaalsContact C-N 3.33Å; N241-N243 PolarHBondContact O-N 2.9Å; N243-V245 VanDerWaalsContact C-N 3.33Å; N243-V245 PolarHBondContact O-N 2.89Å; N243-K246 WeakPolarHBondContact O-CB 3.29Å; N243-K246 PolarHBondContact O-N 2.97Å; N243-E247 WeakPolarHBondContact O-CG 3.23Å; N243-E247 PolarHBondContact O-N 2.92Å
244I93.5Very high93.8Very high18 Ų1877.3 Ų77.39%0.09239%0.39CS..Hα-helixtrans-62.1-41.8179.6-66.7173.2000110.8L240 N241 K246 E247 M248 H287 V290 L291L240-I244 HydrophobicContact CD2-CD1 3.48Å; L240-I244 VanDerWaalsContact CD2-CD1 3.48Å; L240-I244 HydrophobicContact CD2-CG1 4.47Å; L240-I244 HydrophobicContact CG-CD1 4.12Å; L240-I244 WeakPolarHBondContact O-CG1 3.12Å; L240-I244 PolarHBondContact O-N 2.94Å; N241-I244 PolarHBondContact O-N 2.91Å; I244-K246 VanDerWaalsContact C-N 3.33Å; I244-K246 PolarHBondContact O-N 3.38Å; I244-E247 PolarHBondContact O-N 3.02Å; I244-M248 HydrophobicContact CG2-CG 4.28Å; I244-M248 HydrophobicContact CG2-SD 4.2Å; I244-M248 WeakPolarHBondContact O-CB 3.37Å; I244-M248 WeakPolarHBondContact O-CG 3.43Å; I244-M248 PolarHBondContact O-N 2.93Å; I244-H287 HydrophobicContact CG2-CB 4.21Å; I244-V290 HydrophobicContact CD1-CG1 4.37Å; I244-L291 HydrophobicContact CB-CD1 4.35Å; I244-L291 HydrophobicContact CD1-CD1 4.47Å; I244-L291 HydrophobicContact CG2-CB 4.42Å; I244-L291 HydrophobicContact CG2-CD1 4.15Å
245V94.5Very high93.8Very high79 Ų7975 Ų7548%0.47938%0.381SS..Hα-helixtrans-66.5-35.4179.21720000111.8N241 N243 M248 L249 L291N241-V245 WeakPolarHBondContact O-CB 3.37Å; N241-V245 VanDerWaalsContact O-CG2 3.25Å; N241-V245 WeakPolarHBondContact O-CG2 3.48Å; N241-V245 PolarHBondContact O-N 3.29Å; N243-V245 VanDerWaalsContact C-N 3.33Å; N243-V245 PolarHBondContact O-N 2.89Å; V245-M248 PolarHBondContact O-N 3.31Å; V245-L249 PolarHBondContact O-N 2.91Å; V245-L291 HydrophobicContact CG2-CD2 4.28Å
246K95.3Very high93.7Very high116 Ų11676.2 Ų76.250%0.50438%0.382SS..Hα-helixtrans-64.6-43.1172.9-75.8172.1-176.3167.30111.9E242 N243 I244 L249 E250E242-K246 HydrophobicContact CG-CD 4.44Å; E242-K246 VanDerWaalsContact O-CG 3.31Å; E242-K246 WeakPolarHBondContact O-CG 3.44Å; E242-K246 PolarHBondContact O-N 3.44Å; E242-K246 VanDerWaalsContact O-N 3.08Å; E242-K246 VanDerWaalsContact OE1-CE 3.25Å; E242-K246 WeakPolarHBondContact OE1-CE 3.44Å; E242-K246 IonicContact OE1-NZ 3.37Å; E242-K246 PolarHBondContact OE1-NZ 3.12Å; N243-K246 WeakPolarHBondContact O-CB 3.29Å; N243-K246 PolarHBondContact O-N 2.97Å; I244-K246 VanDerWaalsContact C-N 3.33Å; I244-K246 PolarHBondContact O-N 3.38Å; K246-L249 WeakPolarHBondContact O-CB 3.24Å; K246-L249 PolarHBondContact O-N 3.03Å; K246-E250 PolarHBondContact O-N 2.95Å
247E93.1Very high93.5Very high104 Ų10476 Ų7649%0.48638%0.379SS..Hα-helixtrans-64-43.2175.4-70.8175.2-17700111.4N243 I244 L249 E250 L251 H287N243-E247 WeakPolarHBondContact O-CG 3.23Å; N243-E247 PolarHBondContact O-N 2.92Å; I244-E247 PolarHBondContact O-N 3.02Å; E247-L249 VanDerWaalsContact C-N 3.3Å; E247-L249 PolarHBondContact O-N 2.78Å; E247-E250 PolarHBondContact O-N 2.82Å; E247-E250 VanDerWaalsContact O-N 3.13Å; E247-L251 WeakPolarHBondContact O-CG 3.44Å; E247-L251 PolarHBondContact O-N 2.93Å; E247-H287 IonicContact OE2-CE1 2.83Å
248M92.6Very high93.2Very high39 Ų3977.3 Ų77.319%0.19239%0.391CS..Hα-helixtrans-60.4-37.2175-76.2-175.170.700112.7I244 V245 E250 L251 A252 L284 H287 V288 L291I244-M248 HydrophobicContact CG2-CG 4.28Å; I244-M248 HydrophobicContact CG2-SD 4.2Å; I244-M248 WeakPolarHBondContact O-CB 3.37Å; I244-M248 WeakPolarHBondContact O-CG 3.43Å; I244-M248 PolarHBondContact O-N 2.93Å; V245-M248 PolarHBondContact O-N 3.31Å; M248-E250 VanDerWaalsContact C-N 3.32Å; M248-E250 PolarHBondContact O-N 3.45Å; M248-L251 PolarHBondContact O-N 3.33Å; M248-A252 VanDerWaalsContact O-CB 3.26Å; M248-A252 WeakPolarHBondContact O-CB 3.21Å; M248-A252 PolarHBondContact O-N 3.07Å; M248-L284 HydrophobicContact CB-CD2 4.26Å; M248-L284 HydrophobicContact CE-CD2 4.27Å; M248-L284 HydrophobicContact CG-CD2 4.34Å; M248-H287 HydrophobicContact CG-CB 3.86Å; M248-H287 HydrophobicContact SD-CB 4.17Å; M248-V288 HydrophobicContact CE-CG2 3.47Å; M248-V288 VanDerWaalsContact CE-CG2 3.47Å; M248-V288 HydrophobicContact SD-CG2 4.49Å; M248-L291 HydrophobicContact SD-CD2 4.23Å
249L94.9Very high93Very high104 Ų10476 Ų7655%0.54538%0.381SS..Hα-helixtrans-62.1-41.7175.3177.764.7000111.4V245 K246 E247 A252 K253V245-L249 PolarHBondContact O-N 2.91Å; K246-L249 WeakPolarHBondContact O-CB 3.24Å; K246-L249 PolarHBondContact O-N 3.03Å; E247-L249 VanDerWaalsContact C-N 3.3Å; E247-L249 PolarHBondContact O-N 2.78Å; L249-A252 PolarHBondContact O-N 3.02Å; L249-K253 WeakPolarHBondContact O-CG 3.48Å; L249-K253 PolarHBondContact O-N 2.98Å; L249-K253 VanDerWaalsContact O-N 3.13Å
250E93.5Very high92.7Very high96 Ų9675.5 Ų75.545%0.44938%0.381SS..Hα-helixtrans-69.3-41.5178.2-163.562.6-169.400111.5K246 E247 M248 A252 K253 N254K246-E250 PolarHBondContact O-N 2.95Å; E247-E250 PolarHBondContact O-N 2.82Å; E247-E250 VanDerWaalsContact O-N 3.13Å; M248-E250 VanDerWaalsContact C-N 3.32Å; M248-E250 PolarHBondContact O-N 3.45Å; E250-A252 VanDerWaalsContact C-N 3.32Å; E250-A252 PolarHBondContact O-N 3.49Å; E250-K253 PolarHBondContact O-N 2.91Å; E250-K253 IonicContact OE2-NZ 3.61Å; E250-K253 PolarHBondContact OE2-NZ 2.88Å; E250-N254 PolarHBondContact O-N 2.98Å; E250-N254 PolarHBondContact O-ND2 3.15Å
251L93.5Very high92.2Very high10 Ų1075 Ų755%0.05238%0.376CS..Hα-helixtrans-62.7-36.7173.1-70172.1000112.5E247 M248 N254 Y255 H283 L284 H287E247-L251 WeakPolarHBondContact O-CG 3.44Å; E247-L251 PolarHBondContact O-N 2.93Å; M248-L251 PolarHBondContact O-N 3.33Å; L251-N254 CarbonylContact O-C 3.54Å; L251-N254 PolarHBondContact O-N 3.01Å; L251-Y255 WeakPolarHBondContact O-CB 3.46Å; L251-Y255 PolarHBondContact O-N 2.85Å; L251-H283 HydrophobicContact CD1-CB 3.87Å; L251-H283 HydrophobicContact CD2-CB 4.16Å; L251-L284 HydrophobicContact CB-CD2 3.66Å; L251-L284 HydrophobicContact CB-CG 3.88Å; L251-L284 HydrophobicContact CD1-CD2 4.44Å; L251-H287 WeakPolarHBondContact CD1-CD2 3.22Å
252A94.3Very high91.7Very high36 Ų3678.6 Ų78.630%0.29839%0.392SS..Hα-helixtrans-66.7-39.6176.700000112.2M248 L249 E250 N254 Y255 N256M248-A252 VanDerWaalsContact O-CB 3.26Å; M248-A252 WeakPolarHBondContact O-CB 3.21Å; M248-A252 PolarHBondContact O-N 3.07Å; L249-A252 PolarHBondContact O-N 3.02Å; E250-A252 VanDerWaalsContact C-N 3.32Å; E250-A252 PolarHBondContact O-N 3.49Å; A252-N254 VanDerWaalsContact C-N 3.34Å; A252-Y255 PolarHBondContact O-N 3.09Å; A252-N256 PolarHBondContact O-N 3.36Å
253K94.6Very high91.2Very high107 Ų10780.5 Ų80.547%0.46541%0.406SS..Hα-helixtrans-62.2-44171.8-66.9172.8-162.8158.10111.2L249 E250 Y255 N256 K257L249-K253 WeakPolarHBondContact O-CG 3.48Å; L249-K253 PolarHBondContact O-N 2.98Å; L249-K253 VanDerWaalsContact O-N 3.13Å; E250-K253 PolarHBondContact O-N 2.91Å; E250-K253 IonicContact OE2-NZ 3.61Å; E250-K253 PolarHBondContact OE2-NZ 2.88Å; K253-Y255 VanDerWaalsContact C-N 3.31Å; K253-Y255 PolarHBondContact O-N 3.34Å; K253-N256 PolarHBondContact O-N 2.99Å; K253-K257 PolarHBondContact O-N 2.99Å
254N91.6Very high90.7Very high69 Ų6984 Ų8437%0.36942%0.417SS..Hα-helixtrans-64.9-36.8177.3-70.6-28000111.8E250 L251 A252 K257 A258 P280E250-N254 PolarHBondContact O-N 2.98Å; E250-N254 PolarHBondContact O-ND2 3.15Å; L251-N254 CarbonylContact O-C 3.54Å; L251-N254 PolarHBondContact O-N 3.01Å; A252-N254 VanDerWaalsContact C-N 3.34Å; N254-K257 PolarHBondContact O-N 3.11Å; N254-A258 WeakPolarHBondContact O-CB 3.49Å; N254-A258 PolarHBondContact O-N 3.49Å; N254-P280 HydrophobicContact CB-CB 4.16Å
255Y91.8Very high90.2Very high83 Ų8386.8 Ų86.833%0.32543%0.43SS..Hα-helixtrans-64.8-47.6174.7-176.6-111.2000111.6L251 A252 K253 K257 A258 V259 P280 K281 L284L251-Y255 WeakPolarHBondContact O-CB 3.46Å; L251-Y255 PolarHBondContact O-N 2.85Å; A252-Y255 PolarHBondContact O-N 3.09Å; K253-Y255 VanDerWaalsContact C-N 3.31Å; K253-Y255 PolarHBondContact O-N 3.34Å; Y255-K257 VanDerWaalsContact C-N 3.3Å; Y255-K257 PolarHBondContact O-N 2.96Å; Y255-A258 WeakPolarHBondContact O-CB 3.26Å; Y255-A258 PolarHBondContact O-N 3.1Å; Y255-V259 HydrophobicContact CD1-CG2 4.36Å; Y255-V259 HydrophobicContact CD2-CG2 4.43Å; Y255-V259 HydrophobicContact CE1-CG2 3.97Å; Y255-V259 HydrophobicContact CE2-CG2 4Å; Y255-V259 WeakPolarHBondContact O-CG2 3.48Å; Y255-V259 PolarHBondContact O-N 3.35Å; Y255-P280 HydrophobicContact CD2-CG 4.19Å; Y255-K281 HydrophobicContact CD2-CB 4Å; Y255-K281 HydrophobicContact CE2-CB 3.74Å; Y255-K281 HydrophobicContact CE2-CD 4.37Å; Y255-K281 HydrophobicContact CE2-CG 4.07Å; Y255-L284 HydrophobicContact CG-CD1 4.16Å
256N92.6Very high89.8Confident100 Ų10086.3 Ų86.354%0.53543%0.427SS..Hα-helixtrans-56.7-46175.2-76.1-22.8000111.5A252 K253 A258 V259 E260A252-N256 PolarHBondContact O-N 3.36Å; K253-N256 PolarHBondContact O-N 2.99Å; N256-A258 VanDerWaalsContact C-N 3.32Å; N256-A258 PolarHBondContact O-N 3.23Å; N256-V259 PolarHBondContact O-N 3.36Å; N256-E260 WeakPolarHBondContact O-CG 3.48Å; N256-E260 PolarHBondContact O-N 2.86Å
257K89.8Confident89.2Confident121 Ų12186 Ų8653%0.52644%0.437SS..Hα-helixtrans-62.6-39.2175.8-172.5179.4178.6-179.60112.3K253 N254 Y255 E260 E261K253-K257 PolarHBondContact O-N 2.99Å; N254-K257 PolarHBondContact O-N 3.11Å; Y255-K257 VanDerWaalsContact C-N 3.3Å; Y255-K257 PolarHBondContact O-N 2.96Å; K257-E260 PolarHBondContact O-N 3.26Å; K257-E261 VanDerWaalsContact CE-OE1 3.22Å; K257-E261 WeakPolarHBondContact CE-OE1 3.43Å; K257-E261 WeakPolarHBondContact O-CG 3.16Å; K257-E261 PolarHBondContact O-N 3.37Å; K257-E261 VanDerWaalsContact O-N 3.13Å
258A86.9Confident88.6Confident37 Ų3788.5 Ų88.531%0.30645%0.449SS..Hα-helixtrans-63.4-42.9177.200000111.5N254 Y255 N256 E261 E262 P280N254-A258 WeakPolarHBondContact O-CB 3.49Å; N254-A258 PolarHBondContact O-N 3.49Å; Y255-A258 WeakPolarHBondContact O-CB 3.26Å; Y255-A258 PolarHBondContact O-N 3.1Å; N256-A258 VanDerWaalsContact C-N 3.32Å; N256-A258 PolarHBondContact O-N 3.23Å; A258-E261 PolarHBondContact O-N 3.4Å; A258-E262 WeakPolarHBondContact O-CB 3.17Å; A258-E262 PolarHBondContact O-N 3.24Å; A258-P280 HydrophobicContact CB-CG 4.1Å
259V88.9Confident88Confident49 Ų4991.9 Ų91.930%0.29746%0.464SS..Hα-helixtrans-64.6-43.6177174.40000111.5Y255 N256 E261 E262 D263Y255-V259 HydrophobicContact CD1-CG2 4.36Å; Y255-V259 HydrophobicContact CD2-CG2 4.43Å; Y255-V259 HydrophobicContact CE1-CG2 3.97Å; Y255-V259 HydrophobicContact CE2-CG2 4Å; Y255-V259 WeakPolarHBondContact O-CG2 3.48Å; Y255-V259 PolarHBondContact O-N 3.35Å; N256-V259 PolarHBondContact O-N 3.36Å; V259-E261 PolarHBondContact O-N 3.3Å; V259-E262 WeakPolarHBondContact O-CB 3.17Å; V259-E262 PolarHBondContact O-N 3.4Å; V259-E262 VanDerWaalsContact O-N 3.11Å; V259-D263 PolarHBondContact O-N 3.27Å
260E88.5Confident87.2Confident119 Ų11988 Ų8856%0.55644%0.444SS*.Hα-helixtrans-62.6-27.8175.6-72.8177.7-169.700113.8N256 K257 K264N256-E260 WeakPolarHBondContact O-CG 3.48Å; N256-E260 PolarHBondContact O-N 2.86Å; K257-E260 PolarHBondContact O-N 3.26Å; E260-K264 VanDerWaalsContact O-CE 3.3Å; E260-K264 WeakPolarHBondContact O-CE 3.33Å
261E83.1Confident86.6Confident64 Ų6486.4 Ų86.430%0.29945%0.447SS..Hα-helixtrans-85.5-26.7175.3-71.1-179.5-173.500112.3K257 A258 V259 K264 K273K257-E261 VanDerWaalsContact CE-OE1 3.22Å; K257-E261 WeakPolarHBondContact CE-OE1 3.43Å; K257-E261 WeakPolarHBondContact O-CG 3.16Å; K257-E261 PolarHBondContact O-N 3.37Å; K257-E261 VanDerWaalsContact O-N 3.13Å; A258-E261 PolarHBondContact O-N 3.4Å; V259-E261 PolarHBondContact O-N 3.3Å; E261-K264 PolarHBondContact O-N 3.04Å; E261-K273 WeakPolarHBondContact OE2-CE 3.44Å; E261-K273 IonicContact OE2-NZ 2.64Å; E261-K273 PolarHBondContact OE2-NZ 3Å
262E83.1Confident86Confident108 Ų10892.3 Ų92.351%0.50548%0.477SS..Hα-helixtrans-63-45.1176.5-163.9177.4170.200111.2A258 V259 K264 M265 L270A258-E262 WeakPolarHBondContact O-CB 3.17Å; A258-E262 PolarHBondContact O-N 3.24Å; V259-E262 WeakPolarHBondContact O-CB 3.17Å; V259-E262 PolarHBondContact O-N 3.4Å; V259-E262 VanDerWaalsContact O-N 3.11Å; E262-K264 PolarHBondContact O-N 3.15Å; E262-M265 PolarHBondContact O-N 3.42Å; E262-L270 HydrophobicContact CB-CD1 4.47Å; E262-L270 HydrophobicContact CG-CD1 3.64Å; E262-L270 HydrophobicContact CG-CD2 4.44Å
263D83.4Confident85.3Confident144 Ų14493.1 Ų93.177%0.7747%0.474SS*.THydrogen-bonded Turntrans-59.3-18.5178.2-76.3-18.7000114V259V259-D263 PolarHBondContact O-N 3.27Å
264K85.7Confident84.6Confident161 Ų16192.6 Ų92.670%0.748%0.476SS*.THydrogen-bonded Turntrans-99.3-8-174.9-62.7172.1-171.6159.10113.5E260 E261 E262E260-K264 VanDerWaalsContact O-CE 3.3Å; E260-K264 WeakPolarHBondContact O-CE 3.33Å; E261-K264 PolarHBondContact O-N 3.04Å; E262-K264 PolarHBondContact O-N 3.15Å
265M82.6Confident84.1Confident77 Ų7794.9 Ų94.938%0.37949%0.493SS..SBendtrans-128.1155.1-169.8-68.5-174.1173.200111.9E262 L270 K273E262-M265 PolarHBondContact O-N 3.42Å; M265-L270 HydrophobicContact CB-CD1 4.31Å; M265-L270 HydrophobicContact CB-CD2 3.96Å; M265-L270 HydrophobicContact CB-CG 3.82Å; M265-L270 HydrophobicContact SD-CD2 4.29Å; M265-K273 HydrophobicContact CE-CD 4.19Å; M265-K273 HydrophobicContact SD-CD 3.61Å
266T86.6Confident83.6Confident68 Ų6894.9 Ų94.942%0.41752%0.518SS..  trans-78.7155.4172.963.60000110.8E268 Q269 L270T266-E268 PolarHBondContact O-N 2.94Å; T266-E268 VanDerWaalsContact O-N 3.17Å; T266-Q269 PolarHBondContact O-N 3.27Å; T266-Q269 VanDerWaalsContact O-N 3.1Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.44Å; T266-L270 WeakPolarHBondContact O-CG 3.38Å; T266-L270 PolarHBondContact O-N 3.29Å; T266-L270 VanDerWaalsContact O-N 3.08Å
267P82.1Confident83.1Confident109 Ų10996.8 Ų96.871%0.70852%0.522SS*.Hα-helixtrans-55.8-34.3-179.2-27.435.1000114.5L270 A271P267-L270 PolarHBondContact O-N 3.34Å; P267-A271 PolarHBondContact O-N 2.7Å
268E81.4Confident82.8Confident158 Ų15896.3 Ų96.374%0.73852%0.521SS*.Hα-helixtrans-69.8-37.7179.2-64173.717500112.2T266 I272T266-E268 PolarHBondContact O-N 2.94Å; T266-E268 VanDerWaalsContact O-N 3.17Å; E268-I272 WeakPolarHBondContact O-CG1 3.48Å; E268-I272 PolarHBondContact O-N 3.32Å
269Q79.6Confident82.7Confident110 Ų11098.4 Ų98.451%0.51453%0.527SS..Hα-helixtrans-71.5-36176.4-68.6174.8-10.900111.3T266 I272 K273T266-Q269 PolarHBondContact O-N 3.27Å; T266-Q269 VanDerWaalsContact O-N 3.1Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.44Å; Q269-I272 PolarHBondContact O-N 2.96Å; Q269-K273 VanDerWaalsContact O-CB 3.26Å; Q269-K273 WeakPolarHBondContact O-CB 3.47Å; Q269-K273 PolarHBondContact O-N 2.91Å
270L78.8Confident82.7Confident22 Ų2296.7 Ų96.712%0.11552%0.518CS..Hα-helixtrans-65.8-43.1175.3-71.1163.5000111.9E262 M265 T266 P267 I272 K273 N274E262-L270 HydrophobicContact CB-CD1 4.47Å; E262-L270 HydrophobicContact CG-CD1 3.64Å; E262-L270 HydrophobicContact CG-CD2 4.44Å; M265-L270 HydrophobicContact CB-CD1 4.31Å; M265-L270 HydrophobicContact CB-CD2 3.96Å; M265-L270 HydrophobicContact CB-CG 3.82Å; M265-L270 HydrophobicContact SD-CD2 4.29Å; T266-L270 WeakPolarHBondContact O-CG 3.38Å; T266-L270 PolarHBondContact O-N 3.29Å; T266-L270 VanDerWaalsContact O-N 3.08Å; P267-L270 PolarHBondContact O-N 3.34Å; L270-I272 VanDerWaalsContact C-N 3.26Å; L270-I272 PolarHBondContact O-N 3.32Å; L270-K273 PolarHBondContact O-N 3.15Å; L270-N274 WeakPolarHBondContact O-CB 3.48Å; L270-N274 PolarHBondContact O-N 3.3Å; L270-N274 PolarHBondContact O-ND2 2.85Å
271A79.6Confident82.7Confident63 Ų6396 Ų9652%0.52151%0.513SS..Hα-helixtrans-57.3-40.417700000111.9P267 V275P267-A271 PolarHBondContact O-N 2.7Å; A271-V275 WeakPolarHBondContact O-CG2 3.09Å
272I81.9Confident83Confident133 Ų133100.1 Ų100.168%0.68253%0.526SS*.Hα-helixtrans-74.7-41177.8-61.2167.4000111.2E268 Q269 L270 N274 V275E268-I272 WeakPolarHBondContact O-CG1 3.48Å; E268-I272 PolarHBondContact O-N 3.32Å; Q269-I272 PolarHBondContact O-N 2.96Å; L270-I272 VanDerWaalsContact C-N 3.26Å; L270-I272 PolarHBondContact O-N 3.32Å; I272-N274 VanDerWaalsContact C-N 3.3Å; I272-N274 PolarHBondContact O-N 2.89Å; I272-V275 PolarHBondContact O-N 3.27Å
273K79.8Confident83.4Confident54 Ų5497.5 Ų97.524%0.23551%0.513CS..Hα-helixtrans-66.5-30.1-178.2-178.7-179.8172.7-167.10113.4E261 M265 Q269 L270 V275E261-K273 WeakPolarHBondContact OE2-CE 3.44Å; E261-K273 IonicContact OE2-NZ 2.64Å; E261-K273 PolarHBondContact OE2-NZ 3Å; M265-K273 HydrophobicContact CE-CD 4.19Å; M265-K273 HydrophobicContact SD-CD 3.61Å; Q269-K273 VanDerWaalsContact O-CB 3.26Å; Q269-K273 WeakPolarHBondContact O-CB 3.47Å; Q269-K273 PolarHBondContact O-N 2.91Å; L270-K273 PolarHBondContact O-N 3.15Å; K273-V275 VanDerWaalsContact C-N 3.31Å
274N78.8Confident83.8Confident95 Ų9592.2 Ų92.251%0.50849%0.485SS..THydrogen-bonded Turntrans-81.5-11-178.9-66.6-11.1000112.6L270 I272 G276 K277L270-N274 WeakPolarHBondContact O-CB 3.48Å; L270-N274 PolarHBondContact O-N 3.3Å; L270-N274 PolarHBondContact O-ND2 2.85Å; I272-N274 VanDerWaalsContact C-N 3.3Å; I272-N274 PolarHBondContact O-N 2.89Å; N274-G276 PolarHBondContact O-N 3.39Å; N274-K277 PolarHBondContact O-N 3.08Å
275V81.9Confident84.1Confident117 Ų11789.7 Ų89.771%0.70948%0.475SS*.THydrogen-bonded Turntrans-70.2119.6174.5-179.90000109.8A271 I272 K273A271-V275 WeakPolarHBondContact O-CG2 3.09Å; I272-V275 PolarHBondContact O-N 3.27Å; K273-V275 VanDerWaalsContact C-N 3.31Å
276G81.3Confident84.7Confident84 Ų8489.9 Ų89.987%0.86648%0.475SS*.THydrogen-bonded Turntrans87.63.9178.300000115.1N274N274-G276 PolarHBondContact O-N 3.39Å
277K82.6Confident85Confident139 Ų13988.6 Ų88.660%0.60447%0.465SS*.SBendtrans-110.8152.2170.4-68.6-176.8180177.10110.5N274 D279N274-K277 PolarHBondContact O-N 3.08Å; K277-D279 PolarHBondContact O-N 3.08Å
278Q81.8Confident85.6Confident111 Ų11185.9 Ų85.952%0.51945%0.446SS..  trans-65.4124.6173.7-168177.714.900109.1P280 H283Q278-P280 WeakPolarHBondContact O-CD 3.47Å; Q278-H283 WeakPolarHBondContact CG-CE1 3.35Å; Q278-H283 WeakPolarHBondContact CG-ND1 3.41Å; Q278-H283 PolarHBondContact NE2-CD2 3.36Å; Q278-H283 PolarHBondContact NE2-NE2 2.97Å
279D86.4Confident86.2Confident81 Ų8183.5 Ų83.543%0.43344%0.438SS..  trans-79106.2171.8-179.7-3.5000109.1K277 K281 R282 H283K277-D279 PolarHBondContact O-N 3.08Å; D279-K281 VanDerWaalsContact C-N 3.26Å; D279-K281 PolarHBondContact O-N 3.1Å; D279-K281 PolarHBondContact OD1-N 3.32Å; D279-K281 VanDerWaalsContact OD1-N 3.1Å; D279-R282 HydrophobicContact CB-CB 4.3Å; D279-R282 PolarHBondContact O-N 3.48Å; D279-H283 PolarHBondContact O-N 3.29Å; D279-H283 PolarHBondContact O-ND1 2.81Å
280P88Confident86.8Confident14 Ų1482 Ų829%0.09144%0.437CS..Hα-helixtrans-67-28.1-173.928.2-34.1000112.3N254 Y255 A258 Q278 L284N254-P280 HydrophobicContact CB-CB 4.16Å; Y255-P280 HydrophobicContact CD2-CG 4.19Å; A258-P280 HydrophobicContact CB-CG 4.1Å; Q278-P280 WeakPolarHBondContact O-CD 3.47Å; P280-L284 WeakPolarHBondContact O-CB 3.31Å; P280-L284 WeakPolarHBondContact O-CG 3.27Å; P280-L284 PolarHBondContact O-N 3.35Å
281K88.1Confident87.5Confident105 Ų10582.5 Ų82.546%0.45744%0.439SS..Hα-helixtrans-65.3-52.4179.4-175.6-178.2173.5-177.80110.9Y255 D279 H283 L284 E285Y255-K281 HydrophobicContact CD2-CB 4Å; Y255-K281 HydrophobicContact CE2-CB 3.74Å; Y255-K281 HydrophobicContact CE2-CD 4.37Å; Y255-K281 HydrophobicContact CE2-CG 4.07Å; D279-K281 VanDerWaalsContact C-N 3.26Å; D279-K281 PolarHBondContact O-N 3.1Å; D279-K281 PolarHBondContact OD1-N 3.32Å; D279-K281 VanDerWaalsContact OD1-N 3.1Å; K281-H283 VanDerWaalsContact C-N 3.32Å; K281-H283 PolarHBondContact O-N 3.11Å; K281-L284 PolarHBondContact O-N 2.82Å; K281-E285 VanDerWaalsContact CE-OE1 3.31Å; K281-E285 WeakPolarHBondContact CE-OE1 3.48Å; K281-E285 PolarHBondContact O-N 3.5Å; K281-E285 VanDerWaalsContact O-N 3.09Å
282R90Very high88.2Confident150 Ų15084.4 Ų84.457%0.56644%0.438SS*.Hα-helixtrans-60.7-41.4-179.5-178.5-179.5163.5171.7-0.4112D279 E285 E286D279-R282 HydrophobicContact CB-CB 4.3Å; D279-R282 PolarHBondContact O-N 3.48Å; R282-E285 PolarHBondContact O-N 2.78Å; R282-E286 IonicContact CZ-OE1 2.64Å; R282-E286 IonicContact NE-OE1 3.67Å; R282-E286 PolarHBondContact NE-OE1 2.9Å; R282-E286 IonicContact NH2-OE1 3.64Å; R282-E286 PolarHBondContact NH2-OE1 3.09Å; R282-E286 WeakPolarHBondContact O-CG 3.22Å; R282-E286 PolarHBondContact O-N 3.43Å
283H90.7Very high88.7Confident52 Ų5282.2 Ų82.224%0.24143%0.431CS..Hα-helixtrans-70.5-35.1179.2-70.178.5000112.2L251 Q278 D279 K281 E285 E286 H287L251-H283 HydrophobicContact CD1-CB 3.87Å; L251-H283 HydrophobicContact CD2-CB 4.16Å; Q278-H283 WeakPolarHBondContact CG-CE1 3.35Å; Q278-H283 WeakPolarHBondContact CG-ND1 3.41Å; Q278-H283 PolarHBondContact NE2-CD2 3.36Å; Q278-H283 PolarHBondContact NE2-NE2 2.97Å; D279-H283 PolarHBondContact O-N 3.29Å; D279-H283 PolarHBondContact O-ND1 2.81Å; K281-H283 VanDerWaalsContact C-N 3.32Å; K281-H283 PolarHBondContact O-N 3.11Å; H283-E285 VanDerWaalsContact C-N 3.35Å; H283-E286 PolarHBondContact O-N 3.49Å; H283-H287 PolarHBondContact O-CD2 2.64Å; H283-H287 PolarHBondContact O-N 3.33Å
284L92.1Very high89.2Confident33 Ų3380.9 Ų80.917%0.17343%0.429CS..Hα-helixtrans-60.7-45172.1-76.9169.4000111.4M248 L251 Y255 P280 K281 H287 V288M248-L284 HydrophobicContact CB-CD2 4.26Å; M248-L284 HydrophobicContact CE-CD2 4.27Å; M248-L284 HydrophobicContact CG-CD2 4.34Å; L251-L284 HydrophobicContact CB-CD2 3.66Å; L251-L284 HydrophobicContact CB-CG 3.88Å; L251-L284 HydrophobicContact CD1-CD2 4.44Å; Y255-L284 HydrophobicContact CG-CD1 4.16Å; P280-L284 WeakPolarHBondContact O-CB 3.31Å; P280-L284 WeakPolarHBondContact O-CG 3.27Å; P280-L284 PolarHBondContact O-N 3.35Å; K281-L284 PolarHBondContact O-N 2.82Å; L284-H287 PolarHBondContact O-N 3.44Å; L284-V288 WeakPolarHBondContact O-CB 3.48Å; L284-V288 VanDerWaalsContact O-CG2 3.22Å; L284-V288 WeakPolarHBondContact O-CG2 3.26Å; L284-V288 PolarHBondContact O-N 3.04Å
285E92.9Very high89.9Confident108 Ų10878.3 Ų78.351%0.50542%0.415SS..Hα-helixtrans-59.8-48.1175.5-69.9173.3-171.900111.3K281 R282 H283 H287 V288 D289K281-E285 VanDerWaalsContact CE-OE1 3.31Å; K281-E285 WeakPolarHBondContact CE-OE1 3.48Å; K281-E285 PolarHBondContact O-N 3.5Å; K281-E285 VanDerWaalsContact O-N 3.09Å; R282-E285 PolarHBondContact O-N 2.78Å; H283-E285 VanDerWaalsContact C-N 3.35Å; E285-H287 PolarHBondContact O-N 3.48Å; E285-V288 PolarHBondContact O-N 2.88Å; E285-D289 PolarHBondContact O-N 3.09Å
286E93.8Very high90.4Very high81 Ų8177.3 Ų77.338%0.37941%0.405SS..Hα-helixtrans-59-42.9177.7-72.3174-173.200112.4R282 H283 V290R282-E286 IonicContact CZ-OE1 2.64Å; R282-E286 IonicContact NE-OE1 3.67Å; R282-E286 PolarHBondContact NE-OE1 2.9Å; R282-E286 IonicContact NH2-OE1 3.64Å; R282-E286 PolarHBondContact NH2-OE1 3.09Å; R282-E286 WeakPolarHBondContact O-CG 3.22Å; R282-E286 PolarHBondContact O-N 3.43Å; H283-E286 PolarHBondContact O-N 3.49Å; E286-V290 WeakPolarHBondContact O-CG2 3.32Å; E286-V290 PolarHBondContact O-N 3.16Å
287H93.1Very high90.8Very high42 Ų4277.6 Ų77.619%0.19439%0.39CS..Hα-helixtrans-70.6-36.9177.7-72.9-60.6000113.2I244 E247 M248 L251 H283 L284 E285 D289 V290 L291I244-H287 HydrophobicContact CG2-CB 4.21Å; E247-H287 IonicContact OE2-CE1 2.83Å; M248-H287 HydrophobicContact CG-CB 3.86Å; M248-H287 HydrophobicContact SD-CB 4.17Å; L251-H287 WeakPolarHBondContact CD1-CD2 3.22Å; H283-H287 PolarHBondContact O-CD2 2.64Å; H283-H287 PolarHBondContact O-N 3.33Å; L284-H287 PolarHBondContact O-N 3.44Å; E285-H287 PolarHBondContact O-N 3.48Å; H287-D289 VanDerWaalsContact C-N 3.35Å; H287-V290 PolarHBondContact O-N 3.04Å; H287-L291 WeakPolarHBondContact O-CB 3.36Å; H287-L291 PolarHBondContact O-N 3.37Å
288V94.4Very high91.2Very high52 Ų5271.6 Ų71.632%0.31536%0.363SS..Hα-helixtrans-61.4-45.4175.1168.50000110.3M248 L284 E285 V290 L291 M292M248-V288 HydrophobicContact CE-CG2 3.47Å; M248-V288 VanDerWaalsContact CE-CG2 3.47Å; M248-V288 HydrophobicContact SD-CG2 4.49Å; L284-V288 WeakPolarHBondContact O-CB 3.48Å; L284-V288 VanDerWaalsContact O-CG2 3.22Å; L284-V288 WeakPolarHBondContact O-CG2 3.26Å; L284-V288 PolarHBondContact O-N 3.04Å; E285-V288 PolarHBondContact O-N 2.88Å; V288-V290 PolarHBondContact O-N 2.84Å; V288-L291 PolarHBondContact O-N 3.37Å; V288-M292 HydrophobicContact CG1-CG 4.14Å; V288-M292 HydrophobicContact CG1-SD 3.79Å; V288-M292 VanDerWaalsContact O-CB 3.29Å; V288-M292 WeakPolarHBondContact O-CB 3.49Å; V288-M292 WeakPolarHBondContact O-CG 3.34Å; V288-M292 PolarHBondContact O-N 2.98Å
289D94.4Very high91.7Very high107 Ų10769.6 Ų69.657%0.57236%0.361SS*.Hα-helixtrans-61.6-44.7179.4-77.2-17.2000111.7E285 H287 T293E285-D289 PolarHBondContact O-N 3.09Å; H287-D289 VanDerWaalsContact C-N 3.35Å; D289-T293 WeakPolarHBondContact O-CB 3.23Å; D289-T293 WeakPolarHBondContact O-CG2 3.39Å; D289-T293 PolarHBondContact O-N 3.35Å; D289-T293 PolarHBondContact O-OG1 3.46Å
290V92.7Very high91.9Very high80 Ų8070.2 Ų70.249%0.48536%0.364SS..Hα-helixtrans-64.2-45.6176.6173.70000111.3I244 E286 H287 V288 T293 S294I244-V290 HydrophobicContact CD1-CG1 4.37Å; E286-V290 WeakPolarHBondContact O-CG2 3.32Å; E286-V290 PolarHBondContact O-N 3.16Å; H287-V290 PolarHBondContact O-N 3.04Å; V288-V290 PolarHBondContact O-N 2.84Å; V290-T293 PolarHBondContact O-OG1 3.24Å; V290-T293 VanDerWaalsContact O-OG1 3.08Å; V290-S294 VanDerWaalsContact O-CB 3.26Å; V290-S294 WeakPolarHBondContact O-CB 3.46Å; V290-S294 PolarHBondContact O-N 3.02Å
291L93.6Very high91.9Very high31 Ų3169.8 Ų69.816%0.16236%0.362CS..Hα-helixtrans-65.4-44.4-178.6-171.272.7000111.3N241 I244 V245 M248 H287 V288 N295N241-L291 WeakPolarHBondContact OD1-CD1 3.23Å; I244-L291 HydrophobicContact CB-CD1 4.35Å; I244-L291 HydrophobicContact CD1-CD1 4.47Å; I244-L291 HydrophobicContact CG2-CB 4.42Å; I244-L291 HydrophobicContact CG2-CD1 4.15Å; V245-L291 HydrophobicContact CG2-CD2 4.28Å; M248-L291 HydrophobicContact SD-CD2 4.23Å; H287-L291 WeakPolarHBondContact O-CB 3.36Å; H287-L291 PolarHBondContact O-N 3.37Å; V288-L291 PolarHBondContact O-N 3.37Å; L291-N295 WeakPolarHBondContact CD1-ND2 3.29Å; L291-N295 WeakPolarHBondContact CG-ND2 3.28Å; L291-N295 VanDerWaalsContact O-CB 3.31Å; L291-N295 WeakPolarHBondContact O-CB 3.07Å; L291-N295 PolarHBondContact O-N 3.25Å; L291-N295 PolarHBondContact O-ND2 3.33Å
292M93.7Very high92Very high103 Ų10365.8 Ų65.851%0.50735%0.348SS..Hα-helixtrans-64.8-49.5178.3-77.7-172.263.100111.3V288 S294 N295 I296V288-M292 HydrophobicContact CG1-CG 4.14Å; V288-M292 HydrophobicContact CG1-SD 3.79Å; V288-M292 VanDerWaalsContact O-CB 3.29Å; V288-M292 WeakPolarHBondContact O-CB 3.49Å; V288-M292 WeakPolarHBondContact O-CG 3.34Å; V288-M292 PolarHBondContact O-N 2.98Å; M292-S294 PolarHBondContact O-N 3.42Å; M292-N295 PolarHBondContact O-N 3.41Å; M292-I296 HydrophobicContact CB-CD1 4.3Å; M292-I296 HydrophobicContact CE-CD1 4.12Å; M292-I296 VanDerWaalsContact O-CB 3.28Å; M292-I296 WeakPolarHBondContact O-CB 3.07Å; M292-I296 WeakPolarHBondContact O-CD1 3.44Å; M292-I296 WeakPolarHBondContact O-CG1 3.27Å; M292-I296 PolarHBondContact O-N 3.46Å
293T91.8Very high92.1Very high87 Ų8764.2 Ų64.253%0.53435%0.349SS..Hα-helixtrans-61.9-45.4-178.751.50000111.8D289 V290 V297D289-T293 WeakPolarHBondContact O-CB 3.23Å; D289-T293 WeakPolarHBondContact O-CG2 3.39Å; D289-T293 PolarHBondContact O-N 3.35Å; D289-T293 PolarHBondContact O-OG1 3.46Å; V290-T293 PolarHBondContact O-OG1 3.24Å; V290-T293 VanDerWaalsContact O-OG1 3.08Å; T293-V297 WeakPolarHBondContact O-CB 3.25Å; T293-V297 WeakPolarHBondContact O-CG2 3.42Å; T293-V297 PolarHBondContact O-N 3.42Å; T293-V297 VanDerWaalsContact O-N 3.12Å
294S91.1Very high92Very high26 Ų2665.5 Ų65.518%0.18236%0.357CS..Hα-helixtrans-61-49.5177.8-179.50000112.3H237 V290 M292 Q298H237-S294 PolarHBondContact NE2-OG 3.35Å; H237-S294 VanDerWaalsContact NE2-OG 3.14Å; V290-S294 VanDerWaalsContact O-CB 3.26Å; V290-S294 WeakPolarHBondContact O-CB 3.46Å; V290-S294 PolarHBondContact O-N 3.02Å; M292-S294 PolarHBondContact O-N 3.42Å; S294-Q298 WeakPolarHBondContact O-CB 3.29Å; S294-Q298 PolarHBondContact O-N 3.17Å
295N93.1Very high91.9Very high41 Ų4165.4 Ų65.422%0.21936%0.357CS..Hα-helixtrans-70.9-40.6-176.3-74.6-52.1000112.8H237 N241 L291 M292 Q298 C299H237-N295 PolarHBondContact CE1-OD1 3.43Å; N241-N295 PolarHBondContact ND2-OD1 2.92Å; N241-N295 PolarHBondContact OD1-ND2 2.91Å; N241-N295 VanDerWaalsContact OD1-ND2 3.13Å; N241-N295 PolarHBondContact OD1-OD1 3.47Å; L291-N295 WeakPolarHBondContact CD1-ND2 3.29Å; L291-N295 WeakPolarHBondContact CG-ND2 3.28Å; L291-N295 VanDerWaalsContact O-CB 3.31Å; L291-N295 WeakPolarHBondContact O-CB 3.07Å; L291-N295 PolarHBondContact O-N 3.25Å; L291-N295 PolarHBondContact O-ND2 3.33Å; M292-N295 PolarHBondContact O-N 3.41Å; N295-Q298 PolarHBondContact O-N 2.93Å; N295-C299 VanDerWaalsContact O-CB 3.27Å; N295-C299 WeakPolarHBondContact O-CB 3.43Å; N295-C299 PolarHBondContact O-N 2.65Å; N295-C299 PolarHBondContact O-SG 3.14Å
296I92.6Very high91.7Very high97 Ų9764.5 Ų64.550%0.49736%0.358SS..Hα-helixtrans-64.1-44.2178.6-67.8166.6000110.3M292 L300M292-I296 HydrophobicContact CB-CD1 4.3Å; M292-I296 HydrophobicContact CE-CD1 4.12Å; M292-I296 VanDerWaalsContact O-CB 3.28Å; M292-I296 WeakPolarHBondContact O-CB 3.07Å; M292-I296 WeakPolarHBondContact O-CD1 3.44Å; M292-I296 WeakPolarHBondContact O-CG1 3.27Å; M292-I296 PolarHBondContact O-N 3.46Å; I296-L300 VanDerWaalsContact O-CB 3.23Å; I296-L300 WeakPolarHBondContact O-CB 3.21Å; I296-L300 PolarHBondContact O-N 3.04Å
297V90.8Very high91.7Very high90 Ų9065.8 Ų65.855%0.54537%0.372SS..Hα-helixtrans-64.4-47178.8172.30000110.9T293 L300 A301T293-V297 WeakPolarHBondContact O-CB 3.25Å; T293-V297 WeakPolarHBondContact O-CG2 3.42Å; T293-V297 PolarHBondContact O-N 3.42Å; T293-V297 VanDerWaalsContact O-N 3.12Å; V297-L300 PolarHBondContact O-N 3.22Å; V297-A301 VanDerWaalsContact O-CB 3.27Å; V297-A301 WeakPolarHBondContact O-CB 3.36Å; V297-A301 PolarHBondContact O-N 3.11Å
298Q90.6Very high91.4Very high12 Ų1268.2 Ų68.26%0.05639%0.39CS..Hα-helixtrans-63.1-43.9179.5-174.373.43.500112.1Q232 S294 N295 A302Q232-Q298 VanDerWaalsContact N-OE1 3.09Å; Q232-Q298 PolarHBondContact O-NE2 3.41Å; S294-Q298 WeakPolarHBondContact O-CB 3.29Å; S294-Q298 PolarHBondContact O-N 3.17Å; N295-Q298 PolarHBondContact O-N 2.93Å; Q298-A302 WeakPolarHBondContact O-CB 3.49Å; Q298-A302 PolarHBondContact O-N 2.88Å
299C91.3Very high91Very high70 Ų7072.1 Ų72.147%0.47340%0.402SS..Hα-helixtrans-64.2-44.2177.4-74.20000112N295 A302 M303N295-C299 VanDerWaalsContact O-CB 3.27Å; N295-C299 WeakPolarHBondContact O-CB 3.43Å; N295-C299 PolarHBondContact O-N 2.65Å; N295-C299 PolarHBondContact O-SG 3.14Å; C299-A302 PolarHBondContact O-N 2.97Å; C299-M303 HydrophobicContact CB-CE 4.05Å; C299-M303 VanDerWaalsContact O-CE 3.31Å; C299-M303 WeakPolarHBondContact O-CE 3.33Å; C299-M303 WeakPolarHBondContact O-CG 3.41Å; C299-M303 PolarHBondContact O-N 3.34Å; C299-M303 VanDerWaalsContact O-N 3.08Å
300L90.6Very high89.5Confident93 Ų9377.8 Ų77.849%0.48743%0.425SS..Hα-helixtrans-66.6-42.3179.2-177.862.6000111.6I296 V297 A302 M303 L304I296-L300 VanDerWaalsContact O-CB 3.23Å; I296-L300 WeakPolarHBondContact O-CB 3.21Å; I296-L300 PolarHBondContact O-N 3.04Å; V297-L300 PolarHBondContact O-N 3.22Å; L300-A302 VanDerWaalsContact C-N 3.31Å; L300-A302 PolarHBondContact O-N 3.22Å; L300-M303 PolarHBondContact O-N 3.21Å; L300-L304 HydrophobicContact CD1-CD1 4.47Å; L300-L304 HydrophobicContact CD1-CG 4.42Å; L300-L304 HydrophobicContact CG-CD1 4.09Å; L300-L304 HydrophobicContact CG-CG 4.48Å; L300-L304 WeakPolarHBondContact O-CB 3.45Å; L300-L304 WeakPolarHBondContact O-CG 3.31Å; L300-L304 PolarHBondContact O-N 3.11Å
301A89.6Confident89.3Confident6 Ų677.7 Ų77.75%0.0542%0.422CS..Hα-helixtrans-58.4-45.1175.800000110.9L231 V297 M303 L304 D305L231-A301 HydrophobicContact CD2-CB 3.59Å; L231-A301 HydrophobicContact CG-CB 4.48Å; V297-A301 VanDerWaalsContact O-CB 3.27Å; V297-A301 WeakPolarHBondContact O-CB 3.36Å; V297-A301 PolarHBondContact O-N 3.11Å; A301-M303 PolarHBondContact O-N 3.41Å; A301-L304 PolarHBondContact O-N 3.17Å; A301-D305 VanDerWaalsContact O-CG 3.3Å; A301-D305 PolarHBondContact O-N 2.99Å
302A90.3Very high89.1Confident21 Ų2180.1 Ų80.117%0.17444%0.436CS..Hα-helixtrans-63.7-43.4179.600000111.5L231 Y234 Q298 C299 L300 D305 T306L231-A302 HydrophobicContact CD1-CB 4.49Å; L231-A302 HydrophobicContact CD2-CB 3.97Å; Y234-A302 WeakPolarHBondContact OH-CB 3.3Å; Q298-A302 WeakPolarHBondContact O-CB 3.49Å; Q298-A302 PolarHBondContact O-N 2.88Å; C299-A302 PolarHBondContact O-N 2.97Å; L300-A302 VanDerWaalsContact C-N 3.31Å; L300-A302 PolarHBondContact O-N 3.22Å; A302-D305 PolarHBondContact O-N 3.46Å; A302-T306 WeakPolarHBondContact O-CG2 3.48Å; A302-T306 PolarHBondContact O-N 3.24Å
303M90.6Very high88.8Confident116 Ų11678.8 Ų78.857%0.57143%0.432SS*.Hα-helixtrans-61.5-43.3175.8-75.1-175.3-100.100112.1C299 L300 A301 T306C299-M303 HydrophobicContact CB-CE 4.05Å; C299-M303 VanDerWaalsContact O-CE 3.31Å; C299-M303 WeakPolarHBondContact O-CE 3.33Å; C299-M303 WeakPolarHBondContact O-CG 3.41Å; C299-M303 PolarHBondContact O-N 3.34Å; C299-M303 VanDerWaalsContact O-N 3.08Å; L300-M303 PolarHBondContact O-N 3.21Å; A301-M303 PolarHBondContact O-N 3.41Å; M303-T306 PolarHBondContact O-N 2.89Å; M303-T306 PolarHBondContact O-OG1 3.25Å
304L89.6Confident88.7Confident80 Ų8078.4 Ų78.442%0.41943%0.426SS..Hα-helixtrans-62.9-44.9177.1-74169.9000111.5L300 A301 T306 V307 V308L300-L304 HydrophobicContact CD1-CD1 4.47Å; L300-L304 HydrophobicContact CD1-CG 4.42Å; L300-L304 HydrophobicContact CG-CD1 4.09Å; L300-L304 HydrophobicContact CG-CG 4.48Å; L300-L304 WeakPolarHBondContact O-CB 3.45Å; L300-L304 WeakPolarHBondContact O-CG 3.31Å; L300-L304 PolarHBondContact O-N 3.11Å; A301-L304 PolarHBondContact O-N 3.17Å; L304-T306 VanDerWaalsContact C-N 3.28Å; L304-T306 PolarHBondContact O-N 3.04Å; L304-V307 PolarHBondContact O-N 3.15Å; L304-V307 VanDerWaalsContact O-N 3.09Å; L304-V308 WeakPolarHBondContact O-CB 3.29Å; L304-V308 WeakPolarHBondContact O-CG2 3.28Å; L304-V308 PolarHBondContact O-N 3.49Å
305D88.8Confident88.5Confident30 Ų3081.6 Ų81.616%0.1644%0.441CS..Hα-helixtrans-59.7-40-178.4-72.5-17.6000111.9L231 A301 A302 V307 F309L231-D305 VanDerWaalsContact CD1-OD2 3.24Å; L231-D305 WeakPolarHBondContact CD1-OD2 3.35Å; L231-D305 WeakPolarHBondContact CG-OD2 3.47Å; A301-D305 VanDerWaalsContact O-CG 3.3Å; A301-D305 PolarHBondContact O-N 2.99Å; A302-D305 PolarHBondContact O-N 3.46Å; D305-V307 PolarHBondContact O-N 3.22Å; D305-F309 HydrophobicContact CB-CD2 4.2Å; D305-F309 PolarHBondContact O-N 2.86Å; D305-F309 WeakPolarHBondContact OD1-CE2 3.15Å
306T90.4Very high88.2Confident89 Ų8984.3 Ų84.355%0.54646%0.456SS..Hα-helixtrans-65.8-19.4178.862.30000115.2A302 M303 L304 Q310A302-T306 WeakPolarHBondContact O-CG2 3.48Å; A302-T306 PolarHBondContact O-N 3.24Å; M303-T306 PolarHBondContact O-N 2.89Å; M303-T306 PolarHBondContact O-OG1 3.25Å; L304-T306 VanDerWaalsContact C-N 3.28Å; L304-T306 PolarHBondContact O-N 3.04Å; T306-Q310 WeakPolarHBondContact O-CG 3.27Å; T306-Q310 PolarHBondContact O-NE2 2.72Å
307V91.8Very high87.9Confident108 Ų10883.4 Ų83.466%0.65545%0.453SS*.Hα-helixtrans-101.7-39.1-180179.30000110.9L304 D305L304-V307 PolarHBondContact O-N 3.15Å; L304-V307 VanDerWaalsContact O-N 3.09Å; D305-V307 PolarHBondContact O-N 3.22Å
308V88.8Confident87.7Confident94 Ų9482.9 Ų82.957%0.5745%0.446SS*.Hα-helixtrans-81.9-36.4-173.6176.10000112.3L304L304-V308 WeakPolarHBondContact O-CB 3.29Å; L304-V308 WeakPolarHBondContact O-CG2 3.28Å; L304-V308 PolarHBondContact O-N 3.49Å
309F85Confident87.4Confident133 Ų13388.8 Ų88.858%0.58348%0.479SS*.  trans-106.828.3-175.1-60.8-70.1000113.7L229 D305L229-F309 HydrophobicContact CD2-CE2 4.35Å; D305-F309 HydrophobicContact CB-CD2 4.2Å; D305-F309 PolarHBondContact O-N 2.86Å; D305-F309 WeakPolarHBondContact OD1-CE2 3.15Å
310Q62.4Low87.1Confident226 Ų22690.5 Ų90.5100%1.05648%0.479SS*.  trans-67.80173.9-111.5179.139.400113.4T306T306-Q310 WeakPolarHBondContact O-CG 3.27Å; T306-Q310 PolarHBondContact O-NE2 2.72Å

Retrieved 310 of 310 residues in 55.8 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).