A0A3Q0KJY0_SCHMA Loading...

Hypoxanthine phosphoribosyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KJY0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 231 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
1M30.2Very low50.4Low244 Ų244118.5 Ų118.5100%1.20266%0.661SS**  0122.40-73.5177.5-178.400107.3
2S31.4Very low54.3Low119 Ų119114.1 Ų114.183%0.83264%0.638SS**  trans53.581.5177.2-62.30000120.3
3S31Very low57.6Low103 Ų103106.5 Ų106.572%0.7260%0.595SS**SBendtrans-128.513.1160.356.20000114
4N32.2Very low60.4Low129 Ų129106.1 Ų106.169%0.6959%0.587SS**  trans-120.610.4-168.5-86.3-9.1000116.4
5M32.6Very low62.8Low175 Ų175106.7 Ų106.786%0.86259%0.588SS**SBendtrans-100.2-2.6-169.9-100.4179.363.400117.7
6I40.2Very low64.9Low97 Ų97106.4 Ų106.450%0.49760%0.596SS.*SBendtrans-1217.6-178.4-46.8179.9000112.4A8 Y59I6-A8 VanDerWaalsContact C-N 3.32Å; I6-A8 PolarHBondContact O-N 3.24Å; I6-Y59 HydrophobicContact CD1-CD2 3.78Å; I6-Y59 HydrophobicContact CD1-CE2 4.24Å
7K44.8Very low66.9Low163 Ų163104.2 Ų104.271%0.70958%0.579SS**SBendtrans-78.62.7-167.9-90.7-178.5176.2175.80116.6
8A48.2Very low68.6Low78 Ų78110.5 Ų110.565%0.64559%0.592SS**SBendtrans-115.2-31.1-166.300000118.8I6I6-A8 VanDerWaalsContact C-N 3.32Å; I6-A8 PolarHBondContact O-N 3.24Å
9D71Confident70.1Confident126 Ų126105.5 Ų105.567%0.67457%0.569SS**  trans-114.671.2-155.5-77.9-20.4000115.5R48D9-R48 PolarHBondContact O-NH2 3.19Å
10C95.2Very high71.5Confident18 Ų18104.2 Ų104.212%0.12256%0.558CS.*SBendtrans-111156.1154.566.70000110.5V12 V185C10-V12 PolarHBondContact O-N 2.94Å; C10-V185 HydrophobicContact CB-CB 3.7Å; C10-V185 HydrophobicContact CB-CG1 3.58Å; C10-V185 WeakPolarHBondContact CB-O 3.26Å
11V97.6Very high72.8Confident52 Ų52102.1 Ų102.132%0.31555%0.551SS.*EExtended strand (participates in β ladder)trans-74114.9174.91760000108.4M44 G186 F187 E188V11-M44 HydrophobicContact CG1-CE 4.14Å; V11-G186 PolarHBondContact N-O 3.2Å; V11-G186 VanDerWaalsContact N-O 3.08Å; V11-F187 HydrophobicContact CB-CD1 3.53Å; V11-F187 HydrophobicContact CB-CE1 3.86Å; V11-F187 HydrophobicContact CB-CG 4.39Å; V11-F187 HydrophobicContact CG1-CD1 3.7Å; V11-F187 HydrophobicContact CG1-CE1 3.95Å; V11-F187 HydrophobicContact CG2-CD1 4.31Å; V11-F187 HydrophobicContact CG2-CE1 4.17Å; V11-F187 CarbonylContact O-C 3.58Å; V11-F187 WeakPolarHBondContact O-CA 3.48Å; V11-E188 PolarHBondContact O-N 2.86Å
12V96.7Very high76Confident65 Ų6591.8 Ų91.839%0.39450%0.501SS..EExtended strand (participates in β ladder)trans-89.6120.3177.4-176.30000109.3C10 E188C10-V12 PolarHBondContact O-N 2.94Å; V12-E188 HydrophobicContact CG2-CB 4.29Å
13I97.6Very high79.1Confident15 Ų1593.1 Ų93.18%0.07749%0.494CS..  trans-95.8112.1172.6-59.4-174.8000108.1F17 L39 I40 R173 F187 E188 V189 P190I13-F17 HydrophobicContact CG2-CB 3.85Å; I13-F17 HydrophobicContact CG2-CD1 3.41Å; I13-F17 VanDerWaalsContact CG2-CD1 3.41Å; I13-F17 HydrophobicContact CG2-CE1 4.26Å; I13-F17 HydrophobicContact CG2-CG 3.93Å; I13-L39 HydrophobicContact CD1-CG 4.34Å; I13-L39 HydrophobicContact CG2-CD1 4.13Å; I13-I40 HydrophobicContact CD1-CD1 3.79Å; I13-I40 HydrophobicContact CD1-CG1 3.65Å; I13-R173 PolarHBondContact O-NH2 2.91Å; I13-F187 HydrophobicContact CD1-CD1 4.35Å; I13-E188 PolarHBondContact N-O 3.39Å; I13-V189 HydrophobicContact CD1-CG1 4.18Å; I13-P190 HydrophobicContact CG2-CG 4.45Å; I13-P190 WeakPolarHBondContact O-CD 3.32Å
14E96.7Very high82.3Confident102 Ų10296.2 Ų96.248%0.47749%0.492SS..  trans-68.9152.3-176.5-63.5-60.1170.400113.5S16 F17 R173E14-S16 PolarHBondContact O-N 2.85Å; E14-S16 VanDerWaalsContact O-N 3.14Å; E14-F17 WeakPolarHBondContact O-CB 3.45Å; E14-F17 PolarHBondContact O-N 2.78Å; E14-R173 VanDerWaalsContact C-NH2 3.34Å; E14-R173 IonicContact OE2-CZ 2.74Å; E14-R173 IonicContact OE2-NH1 3.71Å; E14-R173 PolarHBondContact OE2-NH1 3.12Å; E14-R173 IonicContact OE2-NH2 3.8Å
15D96.2Very high85.4Confident114 Ų11493.1 Ų93.161%0.6147%0.472SS*.THydrogen-bonded Turntrans-64.1-20.7-179.5-66.5-26.1000112.3F17 R173 P190D15-F17 VanDerWaalsContact C-N 3.3Å; D15-R173 VanDerWaalsContact CG-NH2 3.27Å; D15-R173 IonicContact OD1-CZ 3.82Å; D15-R173 IonicContact OD1-NE 3.05Å; D15-R173 IonicContact OD1-NH2 3.59Å; D15-R173 PolarHBondContact OD1-NH2 2.62Å; D15-R173 IonicContact OD2-NH2 3.48Å; D15-P190 VanDerWaalsContact OD1-CB 3.31Å; D15-P190 WeakPolarHBondContact OD1-CB 3.49Å
16S97.2Very high88.5Confident102 Ų10290.4 Ų90.471%0.71347%0.469SS*.THydrogen-bonded Turntrans-77.9-10.7173.658.20000113.9E14 R18E14-S16 PolarHBondContact O-N 2.85Å; E14-S16 VanDerWaalsContact O-N 3.14Å; S16-R18 PolarHBondContact O-N 2.72Å
17F98Very high91.1Very high70 Ų7087.2 Ų87.231%0.30745%0.454SS..  trans-70.4124.4179.4-178.6-119.3000110.6I13 E14 D15 G19 F20 L39I13-F17 HydrophobicContact CG2-CB 3.85Å; I13-F17 HydrophobicContact CG2-CD1 3.41Å; I13-F17 VanDerWaalsContact CG2-CD1 3.41Å; I13-F17 HydrophobicContact CG2-CE1 4.26Å; I13-F17 HydrophobicContact CG2-CG 3.93Å; E14-F17 WeakPolarHBondContact O-CB 3.45Å; E14-F17 PolarHBondContact O-N 2.78Å; D15-F17 VanDerWaalsContact C-N 3.3Å; F17-G19 VanDerWaalsContact CE1-CA 3.44Å; F17-F20 HydrophobicContact CE2-CZ 4.33Å; F17-F20 HydrophobicContact CZ-CD2 4.23Å; F17-F20 HydrophobicContact CZ-CE1 4.36Å; F17-F20 AromaticContact CZ-CE2 3.73Å; F17-F20 HydrophobicContact CZ-CE2 3.73Å; F17-F20 AromaticContact CZ-CZ 3.8Å; F17-F20 HydrophobicContact CZ-CZ 3.8Å; F17-L39 HydrophobicContact CD1-CD1 4.01Å; F17-L39 HydrophobicContact CE1-CD1 4.21Å
18R97.3Very high93.3Very high217 Ų21781 Ų8182%0.81943%0.431SS*.  trans-89.9-1.2-175.5-62.5-172178.9-171.7-0.8114.1S16S16-R18 PolarHBondContact O-N 2.72Å
19G97.8Very high95.5Very high15 Ų1582.1 Ų82.116%0.15543%0.432CS..  trans70.9-172.8-172.400000113.4F17 V38F17-G19 VanDerWaalsContact CE1-CA 3.44Å; G19-V38 WeakPolarHBondContact CA-O 3.31Å
20F98.5Very high96.7Very high79 Ų7981.5 Ų81.535%0.34642%0.42SS..BIsolated β-bridgetrans-112.3137.3174.3-46.6-81.2000110.5F17 T22 F25 Y37 V38 P41F17-F20 HydrophobicContact CE2-CZ 4.33Å; F17-F20 HydrophobicContact CZ-CD2 4.23Å; F17-F20 HydrophobicContact CZ-CE1 4.36Å; F17-F20 AromaticContact CZ-CE2 3.73Å; F17-F20 HydrophobicContact CZ-CE2 3.73Å; F17-F20 AromaticContact CZ-CZ 3.8Å; F17-F20 HydrophobicContact CZ-CZ 3.8Å; F20-T22 PolarHBondContact O-N 3.18Å; F20-F25 HydrophobicContact CB-CD2 4.31Å; F20-F25 HydrophobicContact CB-CE2 3.49Å; F20-F25 VanDerWaalsContact CB-CE2 3.49Å; F20-F25 HydrophobicContact CB-CZ 4.17Å; F20-F25 HydrophobicContact CD2-CE2 4.48Å; F20-F25 HydrophobicContact CD2-CZ 4.38Å; F20-F25 HydrophobicContact CG-CE2 4.02Å; F20-F25 HydrophobicContact CG-CZ 4.21Å; F20-Y37 WeakPolarHBondContact O-CB 3.27Å; F20-V38 HydrophobicContact CB-CB 4.32Å; F20-V38 HydrophobicContact CD2-CG1 4.42Å; F20-V38 PolarHBondContact N-O 3Å; F20-V38 PolarHBondContact O-N 2.76Å; F20-P41 HydrophobicContact CD2-CG 3.97Å; F20-P41 HydrophobicContact CE2-CG 3.79Å
21P98.1Very high96.8Very high62 Ų6280.7 Ų80.740%0.40341%0.414SS..  trans-55.9138.8173.6-26.436000112E23 Y24P21-E23 VanDerWaalsContact C-N 3.26Å; P21-E23 HydrophobicContact CB-CG 3.97Å; P21-E23 PolarHBondContact O-N 3.12Å; P21-Y24 HydrophobicContact CB-CD2 3.89Å; P21-Y24 HydrophobicContact CB-CE2 3.99Å; P21-Y24 HydrophobicContact CG-CD2 4.07Å; P21-Y24 HydrophobicContact CG-CE2 3.91Å; P21-Y24 PolarHBondContact O-N 3.32Å
22T97.6Very high96.6Very high27 Ų2782.6 Ų82.617%0.16642%0.423CS..G310 helixtrans-66-28.4-176.949.90000113F20 Y24 F25 L35 V38F20-T22 PolarHBondContact O-N 3.18Å; T22-Y24 PolarHBondContact O-N 3.08Å; T22-F25 PolarHBondContact O-N 3.29Å; T22-L35 HydrophobicContact CG2-CB 3.92Å; T22-L35 HydrophobicContact CG2-CD1 4.4Å; T22-V38 HydrophobicContact CG2-CG2 4.22Å
23E96.7Very high96.6Very high146 Ų14686.6 Ų86.668%0.68244%0.437SS*.G310 helixtrans-62.3-20.518064.8-164.2-133.700114.9P21P21-E23 VanDerWaalsContact C-N 3.26Å; P21-E23 HydrophobicContact CB-CG 3.97Å; P21-E23 PolarHBondContact O-N 3.12Å
24Y97.6Very high96.7Very high169 Ų16985.9 Ų85.966%0.66343%0.434SS*.G310 helixtrans-91.21.5176.8-57.9-47.8000113.5P21 T22P21-Y24 HydrophobicContact CB-CD2 3.89Å; P21-Y24 HydrophobicContact CB-CE2 3.99Å; P21-Y24 HydrophobicContact CG-CD2 4.07Å; P21-Y24 HydrophobicContact CG-CE2 3.91Å; P21-Y24 PolarHBondContact O-N 3.32Å; T22-Y24 PolarHBondContact O-N 3.08Å
25F97.9Very high96.7Very high64 Ų6481.4 Ų81.428%0.28141%0.413SS..SBendtrans-127.6151.1-178.5-70.4-92.9000111.3F20 T22 T27 V38 P41 H210F20-F25 HydrophobicContact CB-CD2 4.31Å; F20-F25 HydrophobicContact CB-CE2 3.49Å; F20-F25 VanDerWaalsContact CB-CE2 3.49Å; F20-F25 HydrophobicContact CB-CZ 4.17Å; F20-F25 HydrophobicContact CD2-CE2 4.48Å; F20-F25 HydrophobicContact CD2-CZ 4.38Å; F20-F25 HydrophobicContact CG-CE2 4.02Å; F20-F25 HydrophobicContact CG-CZ 4.21Å; T22-F25 PolarHBondContact O-N 3.29Å; F25-T27 HydrophobicContact CB-CG2 4.43Å; F25-T27 PolarHBondContact O-N 3.34Å; F25-T27 VanDerWaalsContact O-N 3.1Å; F25-V38 HydrophobicContact CB-CG2 4.33Å; F25-V38 HydrophobicContact CD2-CG2 4.1Å; F25-V38 HydrophobicContact CG-CG2 4.23Å; F25-P41 HydrophobicContact CE1-CB 3.95Å; F25-P41 HydrophobicContact CE1-CG 3.93Å; F25-P41 HydrophobicContact CZ-CG 4.06Å; F25-H210 AromaticContact CD1-NE2 3.72Å
26C97.3Very high96.8Very high117 Ų11780.6 Ų80.679%0.79141%0.408SS*.  trans-74.3103171.6-63.50000109.7H210C26-H210 PolarHBondContact O-NE2 3.05Å
27T94.8Very high96.9Very high31 Ų3177.2 Ų77.219%0.1938%0.38CS..  trans-111.4168.917466.70000111F25 P29F25-T27 HydrophobicContact CB-CG2 4.43Å; F25-T27 PolarHBondContact O-N 3.34Å; F25-T27 VanDerWaalsContact O-N 3.1Å; T27-P29 WeakPolarHBondContact O-CD 3.47Å
28S92.1Very high96.9Very high32 Ų3273.9 Ų73.922%0.22437%0.366CS..  trans-77121.5178.6-174.70000109.5R30 Y31S28-R30 PolarHBondContact O-N 2.95Å; S28-R30 WeakPolarHBondContact OG-CD 3.03Å; S28-R30 WeakPolarHBondContact OG-CG 3.11Å; S28-Y31 WeakPolarHBondContact O-CB 3.4Å; S28-Y31 PolarHBondContact O-N 3.41Å
29P94.5Very high97Very high102 Ų10263.8 Ų63.866%0.66233%0.328SS*.G310 helixtrans-55.9-22.8-175.1-29.136.3000114.9T27 Y31 D32T27-P29 WeakPolarHBondContact O-CD 3.47Å; P29-Y31 PolarHBondContact O-N 2.94Å; P29-Y31 VanDerWaalsContact O-N 3.09Å; P29-D32 WeakPolarHBondContact CA-OD1 3.41Å; P29-D32 PolarHBondContact O-N 3.05Å
30R95.8Very high97Very high113 Ų11363.1 Ų63.143%0.42632%0.321SS..G310 helixtrans-64-13175.979.1-161.6-166.893.6-18.9113.8S28 D207S28-R30 PolarHBondContact O-N 2.95Å; S28-R30 WeakPolarHBondContact OG-CD 3.03Å; S28-R30 WeakPolarHBondContact OG-CG 3.11Å; R30-D207 IonicContact CZ-OD1 2.85Å; R30-D207 IonicContact CZ-OD2 3.8Å; R30-D207 VanDerWaalsContact CZ-OD2 3.24Å; R30-D207 IonicContact NE-OD1 2.75Å; R30-D207 IonicContact NE-OD2 3.65Å; R30-D207 PolarHBondContact NE-OD2 3.34Å; R30-D207 IonicContact NH2-OD1 2.66Å; R30-D207 PolarHBondContact NH2-OD1 3.14Å; R30-D207 IonicContact NH2-OD2 2.85Å; R30-D207 PolarHBondContact NH2-OD2 2.87Å
31Y97.1Very high97Very high0 Ų060.2 Ų60.20%031%0.31CS..G310 helixtrans-118.63.4-173.6-62.8-42.5000115S28 P29 E33 C34 L35 F205 D207 L208 F222S28-Y31 WeakPolarHBondContact O-CB 3.4Å; S28-Y31 PolarHBondContact O-N 3.41Å; P29-Y31 PolarHBondContact O-N 2.94Å; P29-Y31 VanDerWaalsContact O-N 3.09Å; Y31-E33 PolarHBondContact O-N 3.41Å; Y31-E33 VanDerWaalsContact O-N 3.13Å; Y31-C34 WeakPolarHBondContact O-CB 3.44Å; Y31-C34 PolarHBondContact O-N 3.38Å; Y31-L35 PolarHBondContact O-N 2.92Å; Y31-F205 AromaticContact CD1-CD1 3.62Å; Y31-F205 HydrophobicContact CD1-CD1 3.62Å; Y31-F205 AromaticContact CD1-CE1 3.23Å; Y31-F205 HydrophobicContact CD1-CE1 3.23Å; Y31-F205 AromaticContact CD1-CZ 3.95Å; Y31-F205 HydrophobicContact CD1-CZ 3.95Å; Y31-F205 AromaticContact CD2-CD1 3.83Å; Y31-F205 HydrophobicContact CD2-CD1 3.83Å; Y31-F205 HydrophobicContact CD2-CE1 4.23Å; Y31-F205 AromaticContact CE1-CD1 3.48Å; Y31-F205 HydrophobicContact CE1-CD1 3.48Å; Y31-F205 VanDerWaalsContact CE1-CD1 3.48Å; Y31-F205 HydrophobicContact CE1-CD2 4.46Å; Y31-F205 AromaticContact CE1-CE1 3.38Å; Y31-F205 HydrophobicContact CE1-CE1 3.38Å; Y31-F205 HydrophobicContact CE1-CE2 4.36Å; Y31-F205 HydrophobicContact CE1-CG 4.04Å; Y31-F205 AromaticContact CE1-CZ 3.86Å; Y31-F205 HydrophobicContact CE1-CZ 3.86Å; Y31-F205 HydrophobicContact CE2-CB 4.41Å; Y31-F205 AromaticContact CE2-CD1 3.7Å; Y31-F205 HydrophobicContact CE2-CD1 3.7Å; Y31-F205 HydrophobicContact CE2-CE1 4.35Å; Y31-F205 HydrophobicContact CE2-CG 4.25Å; Y31-F205 AromaticContact CG-CD1 3.75Å; Y31-F205 HydrophobicContact CG-CD1 3.75Å; Y31-F205 AromaticContact CG-CE1 3.65Å; Y31-F205 HydrophobicContact CG-CE1 3.65Å; Y31-F205 AromaticContact CZ-CD1 3.45Å; Y31-F205 VanDerWaalsContact CZ-CD1 3.45Å; Y31-F205 AromaticContact CZ-CE1 3.9Å; Y31-F205 AromaticContact CZ-CG 3.79Å; Y31-F205 WeakPolarHBondContact OH-CA 3.33Å; Y31-F205 PolarHBondContact OH-N 2.84Å; Y31-D207 WeakPolarHBondContact CE2-OD1 3.4Å; Y31-L208 HydrophobicContact CD2-CD1 4.18Å; Y31-F222 HydrophobicContact CD1-CE2 4.34Å; Y31-F222 HydrophobicContact CD1-CZ 4.32Å; Y31-F222 HydrophobicContact CE1-CE2 4.09Å; Y31-F222 AromaticContact CE1-CZ 3.83Å; Y31-F222 HydrophobicContact CE1-CZ 3.83Å
32D93.6Very high97Very high92 Ų9258.8 Ų58.849%0.49230%0.299SS..THydrogen-bonded Turntrans-52-42.4-172.9-69.3-8.2000113P29P29-D32 WeakPolarHBondContact CA-OD1 3.41Å; P29-D32 PolarHBondContact O-N 3.05Å
33E96.5Very high97.1Very high149 Ų14959.3 Ų59.370%0.69631%0.31SS*.THydrogen-bonded Turntrans-87.8-3-179.9-60.2-178.417400114.1Y31 N215Y31-E33 PolarHBondContact O-N 3.41Å; Y31-E33 VanDerWaalsContact O-N 3.13Å; E33-N215 PolarHBondContact O-ND2 3.5Å; E33-N215 PolarHBondContact O-OD1 3.2Å
34C98.2Very high97.2Very high1 Ų156.1 Ų56.11%0.00730%0.296CS..THydrogen-bonded Turntrans-104.1-8.9-170.3-61.50000113.8Y31 F205 I214 N215Y31-C34 WeakPolarHBondContact O-CB 3.44Å; Y31-C34 PolarHBondContact O-N 3.38Å; C34-F205 HydrophobicContact CB-CE1 3.98Å; C34-F205 HydrophobicContact CB-CZ 3.99Å; C34-I214 WeakPolarHBondContact O-CG1 3.17Å; C34-N215 VanDerWaalsContact C-ND2 3.34Å; C34-N215 VanDerWaalsContact C-OD1 3.29Å; C34-N215 WeakPolarHBondContact CA-OD1 3.22Å; C34-N215 PolarHBondContact O-N 2.96Å; C34-N215 PolarHBondContact O-OD1 3.43Å
35L98.2Very high97.2Very high8 Ų848 Ų484%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-110.5142.5-175.6-58.2176.8000109.7T22 Y31 V195 F205 L208 C212 N215T22-L35 HydrophobicContact CG2-CB 3.92Å; T22-L35 HydrophobicContact CG2-CD1 4.4Å; Y31-L35 PolarHBondContact O-N 2.92Å; L35-V195 HydrophobicContact CD2-CG2 3.93Å; L35-F205 HydrophobicContact CD2-CD1 4.12Å; L35-F205 HydrophobicContact CD2-CE1 3.95Å; L35-L208 HydrophobicContact CD1-CD1 4.04Å; L35-L208 HydrophobicContact CD1-CD2 3.7Å; L35-L208 HydrophobicContact CD2-CD2 3.99Å; L35-C212 HydrophobicContact CD1-CB 4.31Å; L35-C212 HydrophobicContact CD2-CB 3.93Å; L35-N215 PolarHBondContact N-ND2 2.86Å; L35-N215 PolarHBondContact O-ND2 2.79Å
36D97.8Very high97.3Very high96 Ų9649.8 Ų49.851%0.51327%0.272SS..EExtended strand (participates in β ladder)trans-85.5-59174.6-160.8-11.3000109.4V213 N215D36-V213 HydrophobicContact CB-CB 4.39Å; D36-V213 HydrophobicContact CB-CG1 4.35Å; D36-V213 PolarHBondContact N-O 3.42Å; D36-N215 HydrophobicContact CB-CB 4.12Å
37Y98.3Very high97.3Very high32 Ų3249.5 Ų49.513%0.12526%0.263CS..EExtended strand (participates in β ladder)trans-156.8162.2179.253.9-94.8000111.9F20 L39 C212 V213F20-Y37 WeakPolarHBondContact O-CB 3.27Å; Y37-L39 HydrophobicContact CE2-CB 4.38Å; Y37-L39 HydrophobicContact CE2-CD1 3.96Å; Y37-C212 VanDerWaalsContact O-CA 3.27Å; Y37-C212 WeakPolarHBondContact O-CA 3.41Å; Y37-C212 WeakPolarHBondContact O-CB 3.14Å; Y37-V213 HydrophobicContact CD2-CB 4.45Å; Y37-V213 HydrophobicContact CD2-CG2 4.24Å; Y37-V213 HydrophobicContact CE1-CB 4.11Å; Y37-V213 HydrophobicContact CE1-CG1 4.39Å; Y37-V213 HydrophobicContact CE1-CG2 4.27Å; Y37-V213 HydrophobicContact CE2-CB 4.08Å; Y37-V213 HydrophobicContact CE2-CG2 3.52Å; Y37-V213 PolarHBondContact O-N 3.2Å
38V98.6Very high97.5Very high0 Ų049.2 Ų49.20%026%0.258CS..EExtended strand (participates in β ladder)trans-76.6119.8167.6178.60000108.8G19 F20 T22 F25 P41 H210G19-V38 WeakPolarHBondContact CA-O 3.31Å; F20-V38 HydrophobicContact CB-CB 4.32Å; F20-V38 HydrophobicContact CD2-CG1 4.42Å; F20-V38 PolarHBondContact N-O 3Å; F20-V38 PolarHBondContact O-N 2.76Å; T22-V38 HydrophobicContact CG2-CG2 4.22Å; F25-V38 HydrophobicContact CB-CG2 4.33Å; F25-V38 HydrophobicContact CD2-CG2 4.1Å; F25-V38 HydrophobicContact CG-CG2 4.23Å; V38-P41 HydrophobicContact CG1-CG 4.13Å; V38-H210 HydrophobicContact CG1-CB 3.77Å; V38-H210 HydrophobicContact CG2-CB 4.4Å
39L98.7Very high97.8Very high5 Ų547.8 Ų47.83%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-86.7-47.2175.9-174.770.6000110.9I13 F17 Y37 V189 V194 I211 V213I13-L39 HydrophobicContact CD1-CG 4.34Å; I13-L39 HydrophobicContact CG2-CD1 4.13Å; F17-L39 HydrophobicContact CD1-CD1 4.01Å; F17-L39 HydrophobicContact CE1-CD1 4.21Å; Y37-L39 HydrophobicContact CE2-CB 4.38Å; Y37-L39 HydrophobicContact CE2-CD1 3.96Å; L39-V189 HydrophobicContact CD2-CB 4.25Å; L39-V189 HydrophobicContact CD2-CG1 4.15Å; L39-V194 HydrophobicContact CD2-CG1 3.68Å; L39-I211 WeakPolarHBondContact CA-O 3.5Å; L39-I211 PolarHBondContact N-O 2.71Å; L39-V213 HydrophobicContact CB-CG2 4.48Å
40I98.8Very high98Very high0 Ų047.5 Ų47.50%024%0.238CC..EExtended strand (participates in β ladder)trans-135.2110.6-179.3-44179.6000109.3I13 M44 I45 L170 F187 V189 I211I13-I40 HydrophobicContact CD1-CD1 3.79Å; I13-I40 HydrophobicContact CD1-CG1 3.65Å; I40-M44 HydrophobicContact CG2-CB 4.24Å; I40-M44 HydrophobicContact CG2-CG 4.37Å; I40-M44 HydrophobicContact CG2-SD 4.18Å; I40-I45 HydrophobicContact CB-CG1 4.35Å; I40-I45 HydrophobicContact CG2-CD1 4.42Å; I40-I45 HydrophobicContact CG2-CG1 3.63Å; I40-L170 HydrophobicContact CD1-CD2 3.6Å; I40-F187 HydrophobicContact CD1-CB 3.97Å; I40-F187 HydrophobicContact CD1-CD1 3.91Å; I40-F187 HydrophobicContact CD1-CD2 3.93Å; I40-F187 HydrophobicContact CD1-CE1 4.41Å; I40-F187 HydrophobicContact CD1-CE2 4.43Å; I40-F187 HydrophobicContact CD1-CG 3.66Å; I40-F187 HydrophobicContact CG2-CD1 4.5Å; I40-F187 HydrophobicContact CG2-CE1 3.99Å; I40-F187 HydrophobicContact CG2-CE2 4.28Å; I40-F187 HydrophobicContact CG2-CZ 3.87Å; I40-V189 HydrophobicContact CD1-CG1 4.11Å; I40-I211 HydrophobicContact CB-CB 4.1Å; I40-I211 HydrophobicContact CB-CD1 4.42Å; I40-I211 HydrophobicContact CD1-CD1 4.29Å; I40-I211 HydrophobicContact CG1-CB 4.45Å; I40-I211 PolarHBondContact N-O 3.5Å; I40-I211 PolarHBondContact O-N 3.12Å
41P98.7Very high98.1Very high19 Ų1946.5 Ų46.512%0.12324%0.236CC..  trans-61.1150.6174.4-24.234.9000112.1F20 F25 V38 G43 M44 I45F20-P41 HydrophobicContact CD2-CG 3.97Å; F20-P41 HydrophobicContact CE2-CG 3.79Å; F25-P41 HydrophobicContact CE1-CB 3.95Å; F25-P41 HydrophobicContact CE1-CG 3.93Å; F25-P41 HydrophobicContact CZ-CG 4.06Å; V38-P41 HydrophobicContact CG1-CG 4.13Å; P41-G43 VanDerWaalsContact C-N 3.3Å; P41-G43 PolarHBondContact O-N 3.28Å; P41-M44 PolarHBondContact O-N 3.46Å; P41-M44 VanDerWaalsContact O-N 3.14Å; P41-I45 PolarHBondContact O-N 3.2Å
42N98.7Very high98.1Very high31 Ų3146.5 Ų46.517%0.16624%0.236CC..Hα-helixtrans-59.9-40.5-176.2-176.3-95.9000112.4M44 I45 K46 Y197 H209 H210N42-M44 PolarHBondContact O-N 2.6Å; N42-I45 WeakPolarHBondContact O-CB 3.21Å; N42-I45 PolarHBondContact O-N 3.2Å; N42-K46 PolarHBondContact O-N 3.45Å; N42-K46 WeakPolarHBondContact OD1-CE 3.42Å; N42-Y197 WeakPolarHBondContact ND2-CD2 3.44Å; N42-H209 WeakPolarHBondContact CB-O 3.42Å; N42-H209 PolarHBondContact ND2-O 3.22Å; N42-H210 PolarHBondContact N-ND1 3.32Å
43G98.5Very high98.3Very high39 Ų3942.1 Ų42.140%0.40221%0.213SC..Hα-helixtrans-60.3-45.1177.200000112.2P41 I45 K46 D47P41-G43 VanDerWaalsContact C-N 3.3Å; P41-G43 PolarHBondContact O-N 3.28Å; G43-I45 VanDerWaalsContact C-N 3.26Å; G43-I45 PolarHBondContact O-N 3.08Å; G43-K46 PolarHBondContact O-N 3.29Å; G43-D47 PolarHBondContact O-N 3.4Å
44M98.6Very high98.4Very high78 Ų7838 Ų3838%0.38419%0.194SC..Hα-helixtrans-62.3-34.3178.6-169.2-177.6-169.200112.4V11 I40 P41 N42 R48 F187V11-M44 HydrophobicContact CG1-CE 4.14Å; I40-M44 HydrophobicContact CG2-CB 4.24Å; I40-M44 HydrophobicContact CG2-CG 4.37Å; I40-M44 HydrophobicContact CG2-SD 4.18Å; P41-M44 PolarHBondContact O-N 3.46Å; P41-M44 VanDerWaalsContact O-N 3.14Å; N42-M44 PolarHBondContact O-N 2.6Å; M44-R48 WeakPolarHBondContact O-CB 3.45Å; M44-R48 PolarHBondContact O-N 3.42Å; M44-F187 HydrophobicContact CE-CE1 4.15Å; M44-F187 HydrophobicContact CG-CE1 4.26Å; M44-F187 HydrophobicContact CG-CZ 4.33Å; M44-F187 HydrophobicContact SD-CE1 4.29Å
45I98.8Very high98.3Very high0 Ų039.9 Ų39.90%021%0.205CC..Hα-helixtrans-60.5-52.3172.3-61.1168.1000109.2I40 P41 N42 G43 D47 R48 L49 L169 Y197 I211I40-I45 HydrophobicContact CB-CG1 4.35Å; I40-I45 HydrophobicContact CG2-CD1 4.42Å; I40-I45 HydrophobicContact CG2-CG1 3.63Å; P41-I45 PolarHBondContact O-N 3.2Å; N42-I45 WeakPolarHBondContact O-CB 3.21Å; N42-I45 PolarHBondContact O-N 3.2Å; G43-I45 VanDerWaalsContact C-N 3.26Å; G43-I45 PolarHBondContact O-N 3.08Å; I45-D47 PolarHBondContact O-N 3.11Å; I45-R48 WeakPolarHBondContact O-CB 3.45Å; I45-R48 PolarHBondContact O-N 3.17Å; I45-R48 VanDerWaalsContact O-N 3.09Å; I45-L49 HydrophobicContact CG2-CD1 4.04Å; I45-L49 HydrophobicContact CG2-CG 4.17Å; I45-L49 VanDerWaalsContact O-CG 3.29Å; I45-L49 WeakPolarHBondContact O-CG 3.37Å; I45-L49 PolarHBondContact O-N 2.83Å; I45-L169 HydrophobicContact CG2-CD1 3.92Å; I45-L169 HydrophobicContact CG2-CD2 4.29Å; I45-Y197 HydrophobicContact CD1-CD1 4.1Å; I45-Y197 HydrophobicContact CD1-CD2 4.03Å; I45-Y197 HydrophobicContact CD1-CE2 4.46Å; I45-Y197 HydrophobicContact CD1-CG 3.83Å; I45-Y197 HydrophobicContact CG2-CD1 4.41Å; I45-Y197 HydrophobicContact CG2-CE1 3.83Å; I45-Y197 HydrophobicContact CG2-CE2 4.28Å; I45-I211 HydrophobicContact CD1-CD1 3.48Å; I45-I211 VanDerWaalsContact CD1-CD1 3.48Å; I45-I211 HydrophobicContact CD1-CG1 3.75Å; I45-I211 HydrophobicContact CG1-CD1 4.18Å
46K98.6Very high98.3Very high100 Ų10039.5 Ų39.544%0.43520%0.203SC..Hα-helixtrans-61.6-41.7-178.3-67-175.7175.1-168.10112.8N42 G43 R48 L49 E50N42-K46 PolarHBondContact O-N 3.45Å; N42-K46 WeakPolarHBondContact OD1-CE 3.42Å; G43-K46 PolarHBondContact O-N 3.29Å; K46-R48 VanDerWaalsContact C-N 3.3Å; K46-R48 PolarHBondContact O-N 2.98Å; K46-L49 PolarHBondContact O-N 3.05Å; K46-E50 PolarHBondContact O-N 2.91Å
47D98.6Very high98.3Very high112 Ų11235 Ų3560%0.59918%0.178SC*.Hα-helixtrans-59.9-42.3174.3-63.2-24.3000111G43 I45 E50G43-D47 PolarHBondContact O-N 3.4Å; I45-D47 PolarHBondContact O-N 3.11Å; D47-E50 WeakPolarHBondContact O-CB 3.4Å; D47-E50 PolarHBondContact O-N 2.93Å
48R98.5Very high98.2Very high24 Ų2436.5 Ų36.59%0.09119%0.189CC..Hα-helixtrans-66.3-39.4176.3178.557.7-172.5125.9-2.3112D9 M44 I45 K46 E50 K51 M52 D55 V185 G186 F187D9-R48 PolarHBondContact O-NH2 3.19Å; M44-R48 WeakPolarHBondContact O-CB 3.45Å; M44-R48 PolarHBondContact O-N 3.42Å; I45-R48 WeakPolarHBondContact O-CB 3.45Å; I45-R48 PolarHBondContact O-N 3.17Å; I45-R48 VanDerWaalsContact O-N 3.09Å; K46-R48 VanDerWaalsContact C-N 3.3Å; K46-R48 PolarHBondContact O-N 2.98Å; R48-E50 VanDerWaalsContact C-N 3.3Å; R48-E50 PolarHBondContact O-N 3.4Å; R48-K51 PolarHBondContact O-N 2.97Å; R48-M52 HydrophobicContact CG-CG 4.4Å; R48-M52 HydrophobicContact CG-SD 4.34Å; R48-M52 VanDerWaalsContact CZ-CG 3.46Å; R48-M52 WeakPolarHBondContact O-CG 3.33Å; R48-M52 PolarHBondContact O-N 2.87Å; R48-D55 IonicContact NH1-OD2 2.96Å; R48-V185 PolarHBondContact NH2-O 2.82Å; R48-G186 PolarHBondContact NE-O 2.87Å; R48-F187 HydrophobicContact CB-CE1 4.34Å; R48-F187 HydrophobicContact CB-CE2 3.76Å; R48-F187 HydrophobicContact CB-CZ 3.45Å; R48-F187 VanDerWaalsContact CB-CZ 3.45Å; R48-F187 HydrophobicContact CG-CD2 4.38Å; R48-F187 HydrophobicContact CG-CE1 4.42Å; R48-F187 HydrophobicContact CG-CE2 3.71Å; R48-F187 HydrophobicContact CG-CZ 3.73Å
49L98.4Very high98.1Very high3 Ų339.6 Ų39.62%0.01620%0.201CC..Hα-helixtrans-65.9-30.9178.8-68.4-172.5000112.8I45 K46 M52 S53 F80 D83 L169I45-L49 HydrophobicContact CG2-CD1 4.04Å; I45-L49 HydrophobicContact CG2-CG 4.17Å; I45-L49 VanDerWaalsContact O-CG 3.29Å; I45-L49 WeakPolarHBondContact O-CG 3.37Å; I45-L49 PolarHBondContact O-N 2.83Å; K46-L49 PolarHBondContact O-N 3.05Å; L49-M52 HydrophobicContact CD2-SD 3.8Å; L49-M52 PolarHBondContact O-N 2.81Å; L49-S53 WeakPolarHBondContact O-CB 3.43Å; L49-S53 PolarHBondContact O-N 3.26Å; L49-S53 PolarHBondContact O-OG 3Å; L49-F80 HydrophobicContact CD1-CD2 4.05Å; L49-F80 HydrophobicContact CD2-CD2 3.55Å; L49-F80 HydrophobicContact CD2-CE2 3.3Å; L49-F80 HydrophobicContact CD2-CZ 4.49Å; L49-F80 HydrophobicContact CG-CD2 4.46Å; L49-D83 HydrophobicContact CD1-CB 3.43Å; L49-D83 VanDerWaalsContact CD1-CB 3.43Å; L49-L169 HydrophobicContact CD2-CD1 4.25Å
50E98.3Very high98.1Very high95 Ų9539.4 Ų39.444%0.44420%0.2SC..Hα-helixtrans-57.6-51.2170.8-178.5174.9172.900110.6K46 D47 R48 S53 M54K46-E50 PolarHBondContact O-N 2.91Å; D47-E50 WeakPolarHBondContact O-CB 3.4Å; D47-E50 PolarHBondContact O-N 2.93Å; R48-E50 VanDerWaalsContact C-N 3.3Å; R48-E50 PolarHBondContact O-N 3.4Å; E50-S53 WeakPolarHBondContact O-CB 3.25Å; E50-S53 PolarHBondContact O-N 3.44Å; E50-M54 HydrophobicContact CG-CE 3.76Å; E50-M54 WeakPolarHBondContact O-CG 3.34Å; E50-M54 PolarHBondContact O-N 3.05Å
51K97.9Very high97.9Very high92 Ų9243.2 Ų43.240%0.422%0.217SC..Hα-helixtrans-65.4-42.6178.4-177.856177.7135.20112.4R48 S53 M54 D55R48-K51 PolarHBondContact O-N 2.97Å; K51-S53 VanDerWaalsContact C-N 3.26Å; K51-S53 PolarHBondContact O-N 3.43Å; K51-M54 WeakPolarHBondContact O-CB 3.46Å; K51-M54 PolarHBondContact O-N 3.28Å; K51-D55 WeakPolarHBondContact CE-OD1 3.3Å; K51-D55 IonicContact NZ-OD1 2.71Å; K51-D55 PolarHBondContact NZ-OD1 2.84Å; K51-D55 VanDerWaalsContact O-CG 3.31Å; K51-D55 PolarHBondContact O-N 2.78Å
52M98Very high97.8Very high1 Ų146.2 Ų46.21%0.00524%0.244CC..Hα-helixtrans-58.8-39.9175.9-71.6-177.369.500111.9R48 L49 M54 D55 I56 F80 A167 F184 G186R48-M52 HydrophobicContact CG-CG 4.4Å; R48-M52 HydrophobicContact CG-SD 4.34Å; R48-M52 VanDerWaalsContact CZ-CG 3.46Å; R48-M52 WeakPolarHBondContact O-CG 3.33Å; R48-M52 PolarHBondContact O-N 2.87Å; L49-M52 HydrophobicContact CD2-SD 3.8Å; L49-M52 PolarHBondContact O-N 2.81Å; M52-M54 VanDerWaalsContact C-N 3.32Å; M52-M54 PolarHBondContact O-N 2.96Å; M52-D55 PolarHBondContact O-N 2.87Å; M52-I56 WeakPolarHBondContact O-CD1 2.92Å; M52-I56 VanDerWaalsContact O-CG1 3.29Å; M52-I56 WeakPolarHBondContact O-CG1 3.45Å; M52-I56 PolarHBondContact O-N 2.92Å; M52-F80 HydrophobicContact CE-CE2 4.31Å; M52-F80 HydrophobicContact CE-CZ 3.97Å; M52-A167 HydrophobicContact CE-CB 4.44Å; M52-F184 HydrophobicContact CE-CB 4.08Å; M52-G186 WeakPolarHBondContact SD-CA 3.4Å
53S98.2Very high97.7Very high0 Ų047.8 Ų47.80%026%0.257CS..Hα-helixtrans-61.6-42.2178-58.80000111.3L49 E50 K51 I56 V57 G87 L88L49-S53 WeakPolarHBondContact O-CB 3.43Å; L49-S53 PolarHBondContact O-N 3.26Å; L49-S53 PolarHBondContact O-OG 3Å; E50-S53 WeakPolarHBondContact O-CB 3.25Å; E50-S53 PolarHBondContact O-N 3.44Å; K51-S53 VanDerWaalsContact C-N 3.26Å; K51-S53 PolarHBondContact O-N 3.43Å; S53-I56 PolarHBondContact O-N 2.74Å; S53-V57 VanDerWaalsContact O-CG2 3.28Å; S53-V57 WeakPolarHBondContact O-CG2 3.43Å; S53-V57 PolarHBondContact O-N 3.37Å; S53-G87 VanDerWaalsContact CB-C 3.4Å; S53-G87 VanDerWaalsContact OG-C 3.31Å; S53-G87 WeakPolarHBondContact OG-CA 3.35Å; S53-L88 WeakPolarHBondContact O-CD2 3.31Å; S53-L88 PolarHBondContact OG-N 2.74Å
54M97.7Very high97.5Very high62 Ų6252.6 Ų52.631%0.30527%0.273SS..Hα-helixtrans-61.1-47.7174.4-62.9173.5-175.300111.7E50 K51 M52 I56 V57 D58 T91E50-M54 HydrophobicContact CG-CE 3.76Å; E50-M54 WeakPolarHBondContact O-CG 3.34Å; E50-M54 PolarHBondContact O-N 3.05Å; K51-M54 WeakPolarHBondContact O-CB 3.46Å; K51-M54 PolarHBondContact O-N 3.28Å; M52-M54 VanDerWaalsContact C-N 3.32Å; M52-M54 PolarHBondContact O-N 2.96Å; M54-I56 VanDerWaalsContact C-N 3.32Å; M54-I56 PolarHBondContact O-N 2.63Å; M54-V57 PolarHBondContact O-N 3.03Å; M54-D58 WeakPolarHBondContact O-CB 3.24Å; M54-D58 PolarHBondContact O-N 2.89Å; M54-T91 HydrophobicContact CG-CG2 4.05Å
55D97.2Very high97.4Very high41 Ų4149.4 Ų49.422%0.21926%0.26CS..Hα-helixtrans-60.7-40.8-179.4-62.7-28.4000112.1R48 K51 M52 Y59 F184R48-D55 IonicContact NH1-OD2 2.96Å; K51-D55 WeakPolarHBondContact CE-OD1 3.3Å; K51-D55 IonicContact NZ-OD1 2.71Å; K51-D55 PolarHBondContact NZ-OD1 2.84Å; K51-D55 VanDerWaalsContact O-CG 3.31Å; K51-D55 PolarHBondContact O-N 2.78Å; M52-D55 PolarHBondContact O-N 2.87Å; D55-Y59 WeakPolarHBondContact O-CB 3.42Å; D55-Y59 PolarHBondContact O-N 3.26Å; D55-F184 HydrophobicContact CB-CD1 4.37Å; D55-F184 HydrophobicContact CB-CE1 4.46Å
56I97.6Very high97.1Very high0 Ų054.1 Ų54.10%029%0.288CS..Hα-helixtrans-67.9-45.7178.2-70.3161.3000110.8M52 S53 M54 Y59 Y60 L84 L88 L137 A167 F184M52-I56 WeakPolarHBondContact O-CD1 2.92Å; M52-I56 VanDerWaalsContact O-CG1 3.29Å; M52-I56 WeakPolarHBondContact O-CG1 3.45Å; M52-I56 PolarHBondContact O-N 2.92Å; S53-I56 PolarHBondContact O-N 2.74Å; M54-I56 VanDerWaalsContact C-N 3.32Å; M54-I56 PolarHBondContact O-N 2.63Å; I56-Y59 PolarHBondContact O-N 3.03Å; I56-Y60 HydrophobicContact CG2-CD2 3.82Å; I56-Y60 HydrophobicContact CG2-CE2 4.02Å; I56-Y60 WeakPolarHBondContact O-CD2 3.39Å; I56-Y60 PolarHBondContact O-N 3.01Å; I56-Y60 VanDerWaalsContact O-N 3.08Å; I56-L84 HydrophobicContact CD1-CD1 3.88Å; I56-L84 HydrophobicContact CD1-CD2 4.27Å; I56-L88 HydrophobicContact CB-CD2 3.96Å; I56-L88 HydrophobicContact CG2-CD2 3.76Å; I56-L137 HydrophobicContact CD1-CD2 4.14Å; I56-L137 HydrophobicContact CG2-CD2 3.85Å; I56-A167 HydrophobicContact CD1-CB 4.36Å; I56-F184 HydrophobicContact CB-CE1 4.42Å; I56-F184 HydrophobicContact CB-CZ 4.46Å; I56-F184 HydrophobicContact CD1-CB 4.41Å; I56-F184 HydrophobicContact CD1-CD2 4.38Å; I56-F184 HydrophobicContact CD1-CG 4.2Å; I56-F184 HydrophobicContact CG1-CB 4.32Å; I56-F184 HydrophobicContact CG1-CD1 3.6Å; I56-F184 HydrophobicContact CG1-CD2 3.78Å; I56-F184 HydrophobicContact CG1-CE1 3.73Å; I56-F184 HydrophobicContact CG1-CE2 3.91Å; I56-F184 HydrophobicContact CG1-CG 3.62Å; I56-F184 HydrophobicContact CG1-CZ 3.88Å
57V97.3Very high96.9Very high0 Ų051.2 Ų51.20%028%0.28CS..Hα-helixtrans-61.2-46.9177.7170.10000110.5S53 M54 Y59 Y60 E61 L88 T91 V92 I97S53-V57 VanDerWaalsContact O-CG2 3.28Å; S53-V57 WeakPolarHBondContact O-CG2 3.43Å; S53-V57 PolarHBondContact O-N 3.37Å; M54-V57 PolarHBondContact O-N 3.03Å; V57-Y59 VanDerWaalsContact C-N 3.33Å; V57-Y59 PolarHBondContact O-N 2.9Å; V57-Y60 PolarHBondContact O-N 2.76Å; V57-E61 VanDerWaalsContact O-CB 3.27Å; V57-E61 WeakPolarHBondContact O-CB 3.38Å; V57-E61 PolarHBondContact O-N 2.63Å; V57-L88 HydrophobicContact CG2-CD2 3.67Å; V57-T91 HydrophobicContact CB-CG2 4.17Å; V57-T91 HydrophobicContact CG1-CG2 4.28Å; V57-T91 HydrophobicContact CG2-CG2 4.06Å; V57-V92 HydrophobicContact CG1-CG2 4.08Å; V57-V92 HydrophobicContact CG2-CG2 3.68Å; V57-I97 HydrophobicContact CG1-CD1 3.67Å
58D96.4Very high96.9Very high65 Ų6545.9 Ų45.935%0.34825%0.252SS..Hα-helixtrans-59.1-43.9178.7-76.1-27.8000111.9M54 A62 R95M54-D58 WeakPolarHBondContact O-CB 3.24Å; M54-D58 PolarHBondContact O-N 2.89Å; D58-A62 WeakPolarHBondContact O-CB 3.34Å; D58-A62 PolarHBondContact O-N 3.41Å; D58-R95 IonicContact OD1-CZ 3.03Å; D58-R95 IonicContact OD1-NH1 3.3Å; D58-R95 PolarHBondContact OD1-NH1 3.48Å; D58-R95 IonicContact OD1-NH2 2.82Å; D58-R95 PolarHBondContact OD1-NH2 2.97Å; D58-R95 IonicContact OD2-NH1 3.87Å
59Y97.2Very high96.8Very high65 Ų6544.8 Ų44.826%0.25525%0.248SC..Hα-helixtrans-60-51.1177.8174.2-92.1000111.9I6 D55 I56 V57 A62 C63 K165 F184I6-Y59 HydrophobicContact CD1-CD2 3.78Å; I6-Y59 HydrophobicContact CD1-CE2 4.24Å; D55-Y59 WeakPolarHBondContact O-CB 3.42Å; D55-Y59 PolarHBondContact O-N 3.26Å; I56-Y59 PolarHBondContact O-N 3.03Å; V57-Y59 VanDerWaalsContact C-N 3.33Å; V57-Y59 PolarHBondContact O-N 2.9Å; Y59-A62 PolarHBondContact O-N 3.28Å; Y59-C63 PolarHBondContact O-N 3.22Å; Y59-C63 VanDerWaalsContact O-N 3.12Å; Y59-K165 HydrophobicContact CE1-CG 4.18Å; Y59-K165 WeakPolarHBondContact OH-CE 3.38Å; Y59-F184 HydrophobicContact CD1-CZ 4.11Å; Y59-F184 AromaticContact CG-CZ 3.94Å; Y59-F184 HydrophobicContact CG-CZ 3.94Å
60Y97.2Very high96.8Very high0 Ų044.7 Ų44.70%025%0.247CC..Hα-helixtrans-74.3-28.5-175.6-79.9-67.7000113.2I56 V57 N64 A65 I68 N135I56-Y60 HydrophobicContact CG2-CD2 3.82Å; I56-Y60 HydrophobicContact CG2-CE2 4.02Å; I56-Y60 WeakPolarHBondContact O-CD2 3.39Å; I56-Y60 PolarHBondContact O-N 3.01Å; I56-Y60 VanDerWaalsContact O-N 3.08Å; V57-Y60 PolarHBondContact O-N 2.76Å; Y60-N64 PolarHBondContact O-N 3.24Å; Y60-A65 HydrophobicContact CD1-CB 3.65Å; Y60-A65 HydrophobicContact CG-CB 4.34Å; Y60-A65 WeakPolarHBondContact O-CB 3.3Å; Y60-A65 PolarHBondContact O-N 3.32Å; Y60-I68 HydrophobicContact CD1-CG2 3.41Å; Y60-I68 VanDerWaalsContact CD1-CG2 3.41Å; Y60-I68 HydrophobicContact CD2-CD1 4.44Å; Y60-I68 HydrophobicContact CD2-CG2 3.78Å; Y60-I68 HydrophobicContact CE1-CG2 3.58Å; Y60-I68 HydrophobicContact CE2-CG2 3.94Å; Y60-I68 HydrophobicContact CG-CG2 3.5Å; Y60-I68 VanDerWaalsContact CG-CG2 3.5Å; Y60-N135 HydrophobicContact CE1-CB 3.94Å
61E96.2Very high96.7Very high80 Ų8040.1 Ų40.137%0.37423%0.226SC..Hα-helixtrans-65.4-48.4168.4-178.3174.1-143.500110.7V57 C63 N64 R95 I97V57-E61 VanDerWaalsContact O-CB 3.27Å; V57-E61 WeakPolarHBondContact O-CB 3.38Å; V57-E61 PolarHBondContact O-N 2.63Å; E61-C63 VanDerWaalsContact C-N 3.28Å; E61-C63 PolarHBondContact O-N 3.27Å; E61-N64 WeakPolarHBondContact O-CA 3.48Å; E61-N64 PolarHBondContact O-N 3.05Å; E61-R95 IonicContact OE2-CZ 3.48Å; E61-R95 IonicContact OE2-NH2 3.46Å; E61-R95 PolarHBondContact OE2-NH2 3.15Å; E61-I97 VanDerWaalsContact CD-CD1 3.47Å; E61-I97 WeakPolarHBondContact OE1-CD1 3.4Å; E61-I97 WeakPolarHBondContact OE1-CG1 3.37Å; E61-I97 WeakPolarHBondContact OE2-CD1 3.47Å
62A96.6Very high96.7Very high83 Ų8335.8 Ų35.869%0.68621%0.207SC*.Hα-helixtrans-63.5-30.7-177.800000113.5D58 Y59 N64D58-A62 WeakPolarHBondContact O-CB 3.34Å; D58-A62 PolarHBondContact O-N 3.41Å; Y59-A62 PolarHBondContact O-N 3.28Å; A62-N64 VanDerWaalsContact C-N 3.32Å
63C95.6Very high96.6Very high64 Ų6436 Ų3643%0.43221%0.209SC..THydrogen-bonded Turntrans-91.19.6173.9760000113.8Y59 E61 A65Y59-C63 PolarHBondContact O-N 3.22Å; Y59-C63 VanDerWaalsContact O-N 3.12Å; E61-C63 VanDerWaalsContact C-N 3.28Å; E61-C63 PolarHBondContact O-N 3.27Å; C63-A65 VanDerWaalsContact C-N 3.26Å; C63-A65 PolarHBondContact O-N 3.11Å
64N95.6Very high96.5Very high139 Ų13938.4 Ų38.474%0.74322%0.221SC*.THydrogen-bonded Turntrans48.346.5-177.8-61.2106.1000112.7Y60 E61 A62 T66Y60-N64 PolarHBondContact O-N 3.24Å; E61-N64 WeakPolarHBondContact O-CA 3.48Å; E61-N64 PolarHBondContact O-N 3.05Å; A62-N64 VanDerWaalsContact C-N 3.32Å; N64-T66 PolarHBondContact O-N 3.38Å
65A95.5Very high96.4Very high12 Ų1239.4 Ų39.410%0.09922%0.224CC..  trans-63.9129177.500000110.6Y60 C63 S67 I68 L99Y60-A65 HydrophobicContact CD1-CB 3.65Å; Y60-A65 HydrophobicContact CG-CB 4.34Å; Y60-A65 WeakPolarHBondContact O-CB 3.3Å; Y60-A65 PolarHBondContact O-N 3.32Å; C63-A65 VanDerWaalsContact C-N 3.26Å; C63-A65 PolarHBondContact O-N 3.11Å; A65-S67 VanDerWaalsContact C-N 3.31Å; A65-I68 HydrophobicContact CB-CG2 4.46Å; A65-L99 HydrophobicContact CB-CD1 4.38Å
66T93Very high96.3Very high99 Ų9937.7 Ų37.761%0.60722%0.216SC*.SBendtrans-70.9-29.7178.248.90000112.7N64 P100N64-T66 PolarHBondContact O-N 3.38Å; T66-P100 WeakPolarHBondContact O-CD 3.4Å; T66-P100 WeakPolarHBondContact O-CG 3.46Å
67S95Very high96.2Very high38 Ų3837.7 Ų37.727%0.26622%0.216SC..  trans-165.1160.8176.956.80000109.9A65 P100 N135A65-S67 VanDerWaalsContact C-N 3.31Å; S67-P100 CarbonylContact C-O 3.59Å; S67-P100 VanDerWaalsContact CA-O 3.3Å; S67-P100 WeakPolarHBondContact CA-O 3.41Å; S67-N135 WeakPolarHBondContact O-CB 3.45Å; S67-N135 PolarHBondContact O-ND2 3.09Å
68I97.7Very high96.3Very high0 Ų041.9 Ų41.90%023%0.234CC..EExtended strand (participates in β ladder)trans-127.4140.4169.663.4171.9000110.4Y60 A65 L70 L99 P100 M101 S102 N135Y60-I68 HydrophobicContact CD1-CG2 3.41Å; Y60-I68 VanDerWaalsContact CD1-CG2 3.41Å; Y60-I68 HydrophobicContact CD2-CD1 4.44Å; Y60-I68 HydrophobicContact CD2-CG2 3.78Å; Y60-I68 HydrophobicContact CE1-CG2 3.58Å; Y60-I68 HydrophobicContact CE2-CG2 3.94Å; Y60-I68 HydrophobicContact CG-CG2 3.5Å; Y60-I68 VanDerWaalsContact CG-CG2 3.5Å; A65-I68 HydrophobicContact CB-CG2 4.46Å; I68-L70 HydrophobicContact CD1-CD1 3.99Å; I68-L70 HydrophobicContact CG1-CD1 4.1Å; I68-L99 HydrophobicContact CD1-CD2 4.12Å; I68-L99 HydrophobicContact CD1-CG 4.44Å; I68-L99 HydrophobicContact CG1-CG 4.46Å; I68-L99 HydrophobicContact CG2-CD1 4.22Å; I68-P100 PolarHBondContact N-O 3.27Å; I68-M101 HydrophobicContact CD1-CE 4.13Å; I68-M101 HydrophobicContact CD1-CG 3.88Å; I68-M101 HydrophobicContact CD1-SD 4.13Å; I68-M101 HydrophobicContact CG1-CB 4.19Å; I68-M101 HydrophobicContact CG1-CG 3.72Å; I68-M101 CarbonylContact O-C 3.51Å; I68-M101 WeakPolarHBondContact O-CA 3.43Å; I68-S102 PolarHBondContact O-N 2.89Å; I68-N135 HydrophobicContact CG2-CB 4.46Å
69T96.9Very high96.4Very high2 Ų241 Ų411%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-112.2111.4172.6-63.70000108.8M71 S102 E104 N135 V136 L137T69-M71 PolarHBondContact O-N 2.74Å; T69-S102 CarbonylContact C-O 3.5Å; T69-S102 WeakPolarHBondContact CA-O 3.26Å; T69-S102 WeakPolarHBondContact CB-OG 3.47Å; T69-S102 WeakPolarHBondContact CG2-OG 3.37Å; T69-S102 PolarHBondContact OG1-OG 2.97Å; T69-E104 HydrophobicContact CG2-CB 4.17Å; T69-E104 HydrophobicContact CG2-CG 3.52Å; T69-N135 PolarHBondContact N-O 3.41Å; T69-V136 WeakPolarHBondContact O-CA 3.36Å; T69-L137 PolarHBondContact O-N 3.46Å
70L98.1Very high96.4Very high0 Ų038 Ų380%022%0.216CC..EExtended strand (participates in β ladder)trans-80.6112.3175.8-67.591.8000109.3I68 L81 L84 V85 L88 M101 S102 V103 E104 L137 V139I68-L70 HydrophobicContact CD1-CD1 3.99Å; I68-L70 HydrophobicContact CG1-CD1 4.1Å; L70-L81 HydrophobicContact CB-CD1 3.98Å; L70-L81 HydrophobicContact CD2-CD1 4.12Å; L70-L84 HydrophobicContact CD2-CD2 4.46Å; L70-V85 HydrophobicContact CD2-CG2 3.96Å; L70-L88 HydrophobicContact CD2-CD1 3.62Å; L70-M101 HydrophobicContact CD1-CB 4.01Å; L70-M101 HydrophobicContact CD1-CG 4.45Å; L70-M101 HydrophobicContact CD1-SD 4.5Å; L70-S102 PolarHBondContact N-O 3.37Å; L70-V103 CarbonylContact O-C 3.58Å; L70-V103 WeakPolarHBondContact O-CA 3.3Å; L70-E104 PolarHBondContact O-N 3.05Å; L70-L137 CarbonylContact C-O 3.19Å; L70-L137 WeakPolarHBondContact CA-O 3.48Å; L70-L137 HydrophobicContact CD2-CD2 4.4Å; L70-L137 HydrophobicContact CG-CD2 4.44Å; L70-V139 HydrophobicContact CB-CG2 4.36Å; L70-V139 HydrophobicContact CD2-CG2 4.27Å
71M96.6Very high96.5Very high0 Ų038.5 Ų38.50%022%0.218CC..EExtended strand (participates in β ladder)trans-100.1105.5177.9177.8173.1-7300110T69 E104 V106 L125 Y131 V136 L137 V138 V139 L152 L156T69-M71 PolarHBondContact O-N 2.74Å; M71-E104 CarbonylContact C-O 3.55Å; M71-E104 WeakPolarHBondContact CA-O 3.36Å; M71-E104 HydrophobicContact CE-CB 4.42Å; M71-V106 HydrophobicContact CG-CB 4.32Å; M71-V106 HydrophobicContact CG-CG1 3.74Å; M71-V106 HydrophobicContact SD-CB 4.18Å; M71-V106 HydrophobicContact SD-CG1 3.84Å; M71-L125 HydrophobicContact CE-CD2 3.52Å; M71-L125 HydrophobicContact SD-CD2 3.89Å; M71-Y131 HydrophobicContact CE-CD1 4.02Å; M71-Y131 HydrophobicContact CE-CE1 3.19Å; M71-V136 HydrophobicContact CB-CG1 3.95Å; M71-L137 PolarHBondContact N-O 3.42Å; M71-V138 CarbonylContact O-C 3.55Å; M71-V138 WeakPolarHBondContact O-CA 3.41Å; M71-V139 PolarHBondContact O-N 2.94Å; M71-L152 HydrophobicContact SD-CD1 4.05Å; M71-L152 HydrophobicContact SD-CD2 4.49Å; M71-L156 HydrophobicContact CE-CD2 3.92Å; M71-L156 HydrophobicContact SD-CD1 4.2Å; M71-L156 HydrophobicContact SD-CD2 4.12Å
72C97.4Very high96.6Very high0 Ų037.5 Ų37.50%022%0.224CC..EExtended strand (participates in β ladder)trans-81.1127.8178175.80000111.9L74 G77 L81 E104 F105 V106C72-L74 PolarHBondContact O-N 3.28Å; C72-G77 VanDerWaalsContact SG-C 3.54Å; C72-L81 HydrophobicContact CB-CB 4.07Å; C72-L81 HydrophobicContact CB-CD1 4.09Å; C72-L81 HydrophobicContact CB-CD2 3.32Å; C72-L81 HydrophobicContact CB-CG 3.99Å; C72-E104 PolarHBondContact N-O 3.01Å; C72-F105 HydrophobicContact CB-CD1 3.83Å; C72-F105 HydrophobicContact CB-CE1 4.11Å; C72-V106 PolarHBondContact O-N 3.04Å
73V96Very high96.7Very high6 Ų635.3 Ų35.34%0.03620%0.201CC..EExtended strand (participates in β ladder)trans-82102.5171.2-174.40000109.6G77 V106 V108 V138 V139 E140 L152V73-G77 WeakPolarHBondContact O-CA 3.43Å; V73-G77 PolarHBondContact O-N 3.24Å; V73-V106 CarbonylContact C-O 3.5Å; V73-V106 WeakPolarHBondContact CA-O 3.41Å; V73-V106 HydrophobicContact CG2-CG1 4.1Å; V73-V108 HydrophobicContact CG1-CB 4.08Å; V73-V108 HydrophobicContact CG1-CG2 3.9Å; V73-V138 HydrophobicContact CG2-CG1 3.68Å; V73-V139 PolarHBondContact N-O 3Å; V73-E140 HydrophobicContact CB-CG 4.39Å; V73-E140 HydrophobicContact CG2-CB 4.26Å; V73-E140 HydrophobicContact CG2-CG 4.42Å; V73-L152 HydrophobicContact CG2-CD2 3.81Å
74L95.8Very high96.9Very high51 Ų5132.3 Ų32.327%0.26718%0.18SC..EExtended strand (participates in β ladder)trans-79.2148.6176.3-68.3-178.8000112C72 F78 F105 V106 R107 V108C72-L74 PolarHBondContact O-N 3.28Å; L74-F78 HydrophobicContact CD2-CB 3.97Å; L74-F105 HydrophobicContact CD1-CB 3.78Å; L74-F105 HydrophobicContact CD1-CD1 3.93Å; L74-F105 HydrophobicContact CD1-CG 4.16Å; L74-F105 HydrophobicContact CD2-CD1 4.05Å; L74-F105 HydrophobicContact CG-CB 4.27Å; L74-F105 HydrophobicContact CG-CD1 4Å; L74-V106 PolarHBondContact N-O 3.28Å; L74-R107 HydrophobicContact CB-CB 4.46Å; L74-V108 PolarHBondContact O-N 3.39Å
75K95.3Very high97Very high82 Ų8227 Ų2736%0.35715%0.153SC..THydrogen-bonded Turncis-86.6-31.23-64.4179.8-169.4166.10113.5G77 F78 D203K75-G77 VanDerWaalsContact C-N 3.31Å; K75-G77 PolarHBondContact O-N 2.99Å; K75-F78 WeakPolarHBondContact O-CD1 3.37Å; K75-F78 PolarHBondContact O-N 2.83Å; K75-D203 IonicContact NZ-OD1 3.74Å; K75-D203 PolarHBondContact NZ-OD1 2.79Å; K75-D203 IonicContact NZ-OD2 3.24Å; K75-D203 PolarHBondContact NZ-OD2 3.41Å
76G95.5Very high97.2Very high5 Ų529.7 Ų29.75%0.05217%0.166CC..THydrogen-bonded Turntrans-64.4-28.6-163.900000115.3F78 D141 A198G76-F78 VanDerWaalsContact C-N 3.27Å; G76-F78 PolarHBondContact O-N 3.21Å; G76-D141 VanDerWaalsContact CA-OD2 3.3Å; G76-D141 WeakPolarHBondContact CA-OD2 3.28Å; G76-A198 WeakPolarHBondContact CA-O 3.21Å; G76-A198 WeakPolarHBondContact O-CB 3.27Å
77G96.2Very high97.4Very high0 Ų025.1 Ų25.10%014%0.138CC..THydrogen-bonded Turntrans-71.6-9-178.300000116C72 V73 K75 K79 F80 L81C72-G77 VanDerWaalsContact SG-C 3.54Å; V73-G77 WeakPolarHBondContact O-CA 3.43Å; V73-G77 PolarHBondContact O-N 3.24Å; K75-G77 VanDerWaalsContact C-N 3.31Å; K75-G77 PolarHBondContact O-N 2.99Å; G77-K79 PolarHBondContact O-N 3.05Å; G77-F80 PolarHBondContact O-N 2.7Å; G77-L81 WeakPolarHBondContact O-CB 3.26Å; G77-L81 PolarHBondContact O-N 3.2Å
78F97.9Very high97.6Very high88 Ų8823.3 Ų23.339%0.38613%0.125SC..Hα-helixtrans-66.2-39.2-164.488.8-89.7000114.6L74 K75 G76 A82 A198L74-F78 HydrophobicContact CD2-CB 3.97Å; K75-F78 WeakPolarHBondContact O-CD1 3.37Å; K75-F78 PolarHBondContact O-N 2.83Å; G76-F78 VanDerWaalsContact C-N 3.27Å; G76-F78 PolarHBondContact O-N 3.21Å; F78-A82 WeakPolarHBondContact O-CB 3.31Å; F78-A82 PolarHBondContact O-N 2.87Å; F78-A198 HydrophobicContact CD1-CB 3.47Å; F78-A198 VanDerWaalsContact CD1-CB 3.47Å; F78-A198 HydrophobicContact CE1-CB 3.3Å; F78-A198 HydrophobicContact CG-CB 4.48Å; F78-A198 HydrophobicContact CZ-CB 4.19Å
79K98.5Very high97.7Very high47 Ų4728.1 Ų28.120%0.20415%0.147CC..Hα-helixtrans-70-42.7177.7-79.1-176.8178.4173.20111G77 A82 D83 Y197 A198 R206G77-K79 PolarHBondContact O-N 3.05Å; K79-A82 PolarHBondContact O-N 2.7Å; K79-D83 PolarHBondContact O-N 2.73Å; K79-Y197 HydrophobicContact CB-CD1 4.29Å; K79-Y197 HydrophobicContact CB-CD2 4.31Å; K79-Y197 HydrophobicContact CB-CE1 4.05Å; K79-Y197 HydrophobicContact CB-CE2 4.07Å; K79-Y197 HydrophobicContact CB-CG 4.42Å; K79-Y197 HydrophobicContact CD-CD2 4.15Å; K79-Y197 HydrophobicContact CD-CG 4.46Å; K79-Y197 PolarHBondContact O-OH 2.81Å; K79-A198 HydrophobicContact CB-CB 3.93Å; K79-A198 HydrophobicContact CD-CB 3.99Å; K79-A198 HydrophobicContact CG-CB 3.89Å; K79-R206 PolarHBondContact NZ-O 3.06Å
80F98.7Very high97.7Very high1 Ų132.9 Ų32.90%0.00417%0.165CC..Hα-helixtrans-59.9-47.8174.7171.1-144.7000111.2L49 M52 G77 A82 D83 L84 V139 E140 A167 L169 Y197L49-F80 HydrophobicContact CD1-CD2 4.05Å; L49-F80 HydrophobicContact CD2-CD2 3.55Å; L49-F80 HydrophobicContact CD2-CE2 3.3Å; L49-F80 HydrophobicContact CD2-CZ 4.49Å; L49-F80 HydrophobicContact CG-CD2 4.46Å; M52-F80 HydrophobicContact CE-CE2 4.31Å; M52-F80 HydrophobicContact CE-CZ 3.97Å; G77-F80 PolarHBondContact O-N 2.7Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 PolarHBondContact O-N 2.77Å; F80-D83 PolarHBondContact O-N 2.85Å; F80-L84 HydrophobicContact CD2-CB 4.21Å; F80-L84 HydrophobicContact CE2-CB 4.03Å; F80-L84 HydrophobicContact CE2-CD1 4.38Å; F80-L84 HydrophobicContact CE2-CD2 3.94Å; F80-L84 HydrophobicContact CE2-CG 4.34Å; F80-L84 HydrophobicContact CZ-CD2 4Å; F80-L84 WeakPolarHBondContact O-CB 3.4Å; F80-L84 PolarHBondContact O-N 2.82Å; F80-V139 HydrophobicContact CD1-CG1 3.41Å; F80-V139 VanDerWaalsContact CD1-CG1 3.41Å; F80-V139 HydrophobicContact CE1-CG1 3.4Å; F80-V139 VanDerWaalsContact CE1-CG1 3.4Å; F80-V139 HydrophobicContact CG-CG1 4.07Å; F80-V139 HydrophobicContact CZ-CG1 4.04Å; F80-E140 VanDerWaalsContact CD1-O 3.3Å; F80-E140 WeakPolarHBondContact CD1-O 3.38Å; F80-E140 VanDerWaalsContact CE1-O 3.28Å; F80-E140 WeakPolarHBondContact CE1-O 3.06Å; F80-A167 HydrophobicContact CE1-CB 4.48Å; F80-A167 HydrophobicContact CZ-CB 4.1Å; F80-L169 HydrophobicContact CB-CB 4.47Å; F80-L169 HydrophobicContact CB-CD2 4.38Å; F80-L169 HydrophobicContact CD1-CB 3.81Å; F80-L169 HydrophobicContact CD2-CB 4.21Å; F80-L169 HydrophobicContact CE1-CB 4.03Å; F80-L169 HydrophobicContact CE2-CB 4.45Å; F80-L169 HydrophobicContact CG-CB 3.9Å; F80-L169 HydrophobicContact CZ-CB 4.35Å; F80-Y197 HydrophobicContact CB-CE1 4.12Å
81L98.7Very high97.7Very high11 Ų1133.5 Ų33.56%0.05817%0.169CC..Hα-helixtrans-55.2-49.9174.8177.273.8000111.3L70 C72 G77 L84 V85 V103 F105 V139L70-L81 HydrophobicContact CB-CD1 3.98Å; L70-L81 HydrophobicContact CD2-CD1 4.12Å; C72-L81 HydrophobicContact CB-CB 4.07Å; C72-L81 HydrophobicContact CB-CD1 4.09Å; C72-L81 HydrophobicContact CB-CD2 3.32Å; C72-L81 HydrophobicContact CB-CG 3.99Å; G77-L81 WeakPolarHBondContact O-CB 3.26Å; G77-L81 PolarHBondContact O-N 3.2Å; L81-L84 PolarHBondContact O-N 2.85Å; L81-V85 HydrophobicContact CD1-CG2 3.98Å; L81-V85 HydrophobicContact CG-CG2 4.22Å; L81-V85 WeakPolarHBondContact O-CB 3.32Å; L81-V85 VanDerWaalsContact O-CG2 3.28Å; L81-V85 WeakPolarHBondContact O-CG2 3.04Å; L81-V85 PolarHBondContact O-N 2.81Å; L81-V103 HydrophobicContact CD2-CG1 3.7Å; L81-F105 HydrophobicContact CD2-CD1 4.46Å; L81-F105 HydrophobicContact CD2-CE1 3.62Å; L81-F105 HydrophobicContact CD2-CZ 4.14Å; L81-V139 HydrophobicContact CB-CG1 4.17Å; L81-V139 HydrophobicContact CD1-CB 4.21Å; L81-V139 HydrophobicContact CD1-CG1 4.27Å; L81-V139 HydrophobicContact CD1-CG2 3.97Å
82A98.6Very high97.8Very high59 Ų5934.4 Ų34.449%0.48817%0.174SC..Hα-helixtrans-60-50.2-176.400000112F78 K79 F80 L84 V85 D86F78-A82 WeakPolarHBondContact O-CB 3.31Å; F78-A82 PolarHBondContact O-N 2.87Å; K79-A82 PolarHBondContact O-N 2.7Å; F80-A82 VanDerWaalsContact C-N 3.34Å; F80-A82 PolarHBondContact O-N 2.77Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 2.93Å; A82-V85 PolarHBondContact O-N 2.83Å; A82-D86 PolarHBondContact O-N 2.86Å; A82-D86 VanDerWaalsContact O-N 3.12Å
83D98.8Very high97.8Very high38 Ų3842.6 Ų42.620%0.20321%0.205CC..Hα-helixtrans-69.3-31.8179.2-73.6-25.4000111.7L49 K79 F80 G87 Y197L49-D83 HydrophobicContact CD1-CB 3.43Å; L49-D83 VanDerWaalsContact CD1-CB 3.43Å; K79-D83 PolarHBondContact O-N 2.73Å; F80-D83 PolarHBondContact O-N 2.85Å; D83-G87 PolarHBondContact O-N 2.8Å; D83-Y197 WeakPolarHBondContact CB-OH 3.45Å; D83-Y197 WeakPolarHBondContact OD2-CE2 3.42Å; D83-Y197 PolarHBondContact OD2-OH 3.49Å
84L98.8Very high97.9Very high0 Ų046.4 Ų46.40%024%0.238CC..Hα-helixtrans-67.6-46.2174.9-17964.4000111.7I56 L70 F80 L81 A82 D86 G87 L88 V139 A167I56-L84 HydrophobicContact CD1-CD1 3.88Å; I56-L84 HydrophobicContact CD1-CD2 4.27Å; L70-L84 HydrophobicContact CD2-CD2 4.46Å; F80-L84 HydrophobicContact CD2-CB 4.21Å; F80-L84 HydrophobicContact CE2-CB 4.03Å; F80-L84 HydrophobicContact CE2-CD1 4.38Å; F80-L84 HydrophobicContact CE2-CD2 3.94Å; F80-L84 HydrophobicContact CE2-CG 4.34Å; F80-L84 HydrophobicContact CZ-CD2 4Å; F80-L84 WeakPolarHBondContact O-CB 3.4Å; F80-L84 PolarHBondContact O-N 2.82Å; L81-L84 PolarHBondContact O-N 2.85Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 2.93Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-D86 PolarHBondContact O-N 2.96Å; L84-G87 PolarHBondContact O-N 2.81Å; L84-L88 HydrophobicContact CD1-CG 4.43Å; L84-L88 HydrophobicContact CG-CD1 4.13Å; L84-L88 HydrophobicContact CG-CG 4.4Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.06Å; L84-L88 PolarHBondContact O-N 2.94Å; L84-V139 HydrophobicContact CD2-CG1 4.17Å; L84-V139 HydrophobicContact CD2-CG2 4.09Å; L84-A167 HydrophobicContact CD2-CB 4.46Å
85V98.7Very high97.9Very high27 Ų2749.1 Ų49.116%0.16424%0.244CC..Hα-helixtrans-59.3-45.9176.9168.30000110.4L70 L81 A82 G87 L88 E89 V103L70-V85 HydrophobicContact CD2-CG2 3.96Å; L81-V85 HydrophobicContact CD1-CG2 3.98Å; L81-V85 HydrophobicContact CG-CG2 4.22Å; L81-V85 WeakPolarHBondContact O-CB 3.32Å; L81-V85 VanDerWaalsContact O-CG2 3.28Å; L81-V85 WeakPolarHBondContact O-CG2 3.04Å; L81-V85 PolarHBondContact O-N 2.81Å; A82-V85 PolarHBondContact O-N 2.83Å; V85-G87 VanDerWaalsContact C-N 3.32Å; V85-G87 PolarHBondContact O-N 3.44Å; V85-L88 PolarHBondContact O-N 2.83Å; V85-E89 HydrophobicContact CG1-CG 4.3Å; V85-E89 WeakPolarHBondContact O-CB 3.4Å; V85-E89 WeakPolarHBondContact O-CG 3.5Å; V85-E89 PolarHBondContact O-N 3.02Å; V85-V103 HydrophobicContact CG2-CG2 4.38Å
86D98.6Very high98Very high70 Ų7048.3 Ų48.337%0.37426%0.26SS..Hα-helixtrans-59.6-41.6175.9172.767.3000112.1A82 L84 R90A82-D86 PolarHBondContact O-N 2.86Å; A82-D86 VanDerWaalsContact O-N 3.12Å; L84-D86 VanDerWaalsContact C-N 3.33Å; L84-D86 PolarHBondContact O-N 2.96Å; D86-R90 VanDerWaalsContact CG-NH2 3.29Å; D86-R90 VanDerWaalsContact O-CB 3.3Å; D86-R90 WeakPolarHBondContact O-CB 3.13Å; D86-R90 PolarHBondContact O-N 3.41Å; D86-R90 IonicContact OD1-NH2 2.76Å; D86-R90 PolarHBondContact OD1-NH2 2.96Å; D86-R90 IonicContact OD2-CZ 3.87Å; D86-R90 IonicContact OD2-NH1 2.63Å; D86-R90 PolarHBondContact OD2-NH1 3.41Å; D86-R90 IonicContact OD2-NH2 3.15Å; D86-R90 PolarHBondContact OD2-NH2 3.43Å
87G98.7Very high98Very high2 Ų249.3 Ų49.32%0.02126%0.264CS..Hα-helixtrans-62.5-42.9172.900000114S53 D83 L84 V85 T91S53-G87 VanDerWaalsContact CB-C 3.4Å; S53-G87 VanDerWaalsContact OG-C 3.31Å; S53-G87 WeakPolarHBondContact OG-CA 3.35Å; D83-G87 PolarHBondContact O-N 2.8Å; L84-G87 PolarHBondContact O-N 2.81Å; V85-G87 VanDerWaalsContact C-N 3.32Å; V85-G87 PolarHBondContact O-N 3.44Å; G87-T91 WeakPolarHBondContact O-CB 3.32Å; G87-T91 PolarHBondContact O-N 3.17Å; G87-T91 PolarHBondContact O-OG1 2.88Å
88L98.6Very high97.9Very high0 Ų055.7 Ų55.70%030%0.302CS..Hα-helixtrans-64.3-50177.1-71.5172.2000111.3S53 I56 V57 L70 L84 V85 R90 T91 V92 M101S53-L88 WeakPolarHBondContact O-CD2 3.31Å; S53-L88 PolarHBondContact OG-N 2.74Å; I56-L88 HydrophobicContact CB-CD2 3.96Å; I56-L88 HydrophobicContact CG2-CD2 3.76Å; V57-L88 HydrophobicContact CG2-CD2 3.67Å; L70-L88 HydrophobicContact CD2-CD1 3.62Å; L84-L88 HydrophobicContact CD1-CG 4.43Å; L84-L88 HydrophobicContact CG-CD1 4.13Å; L84-L88 HydrophobicContact CG-CG 4.4Å; L84-L88 VanDerWaalsContact O-CG 3.26Å; L84-L88 WeakPolarHBondContact O-CG 3.06Å; L84-L88 PolarHBondContact O-N 2.94Å; V85-L88 PolarHBondContact O-N 2.83Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 2.85Å; L88-T91 PolarHBondContact O-N 3.23Å; L88-V92 WeakPolarHBondContact O-CB 3.44Å; L88-V92 WeakPolarHBondContact O-CG2 2.85Å; L88-V92 PolarHBondContact O-N 3.08Å; L88-M101 HydrophobicContact CB-CE 3.96Å; L88-M101 HydrophobicContact CB-SD 3.9Å; L88-M101 HydrophobicContact CD1-SD 4.18Å
89E98.3Very high97.8Very high101 Ų10152.1 Ų52.147%0.47229%0.287SS..Hα-helixtrans-59.4-43178.3-73.4-178.317900111.8V85 R93V85-E89 HydrophobicContact CG1-CG 4.3Å; V85-E89 WeakPolarHBondContact O-CB 3.4Å; V85-E89 WeakPolarHBondContact O-CG 3.5Å; V85-E89 PolarHBondContact O-N 3.02Å; E89-R93 WeakPolarHBondContact O-CB 3.37Å; E89-R93 PolarHBondContact O-N 3.4Å
90R98.4Very high97.7Very high103 Ų10353 Ų5339%0.38930%0.298SS..Hα-helixtrans-60.3-48.1175.6-175.2-174-60.11038.4111.2D86 L88 A94D86-R90 VanDerWaalsContact CG-NH2 3.29Å; D86-R90 VanDerWaalsContact O-CB 3.3Å; D86-R90 WeakPolarHBondContact O-CB 3.13Å; D86-R90 PolarHBondContact O-N 3.41Å; D86-R90 IonicContact OD1-NH2 2.76Å; D86-R90 PolarHBondContact OD1-NH2 2.96Å; D86-R90 IonicContact OD2-CZ 3.87Å; D86-R90 IonicContact OD2-NH1 2.63Å; D86-R90 PolarHBondContact OD2-NH1 3.41Å; D86-R90 IonicContact OD2-NH2 3.15Å; D86-R90 PolarHBondContact OD2-NH2 3.43Å; L88-R90 VanDerWaalsContact C-N 3.32Å; L88-R90 PolarHBondContact O-N 2.85Å; R90-A94 VanDerWaalsContact O-CB 3.29Å; R90-A94 WeakPolarHBondContact O-CB 3.08Å; R90-A94 PolarHBondContact O-N 2.74Å
91T97.9Very high97.7Very high12 Ų1255.9 Ų55.97%0.07431%0.312CS..Hα-helixtrans-64.4-48.5-177.3-60.40000111.6M54 V57 G87 L88 R93 A94 R95M54-T91 HydrophobicContact CG-CG2 4.05Å; V57-T91 HydrophobicContact CB-CG2 4.17Å; V57-T91 HydrophobicContact CG1-CG2 4.28Å; V57-T91 HydrophobicContact CG2-CG2 4.06Å; G87-T91 WeakPolarHBondContact O-CB 3.32Å; G87-T91 PolarHBondContact O-N 3.17Å; G87-T91 PolarHBondContact O-OG1 2.88Å; L88-T91 PolarHBondContact O-N 3.23Å; T91-R93 PolarHBondContact O-N 3.35Å; T91-A94 PolarHBondContact O-N 3.46Å; T91-R95 WeakPolarHBondContact O-CG 3.31Å; T91-R95 PolarHBondContact O-N 3.19Å
92V97.7Very high97.5Very high19 Ų1957.4 Ų57.412%0.11532%0.323CS..Hα-helixtrans-60.9-46.9178.9169.50000110.8V57 L88 R95 G96 I97 L99 M101V57-V92 HydrophobicContact CG1-CG2 4.08Å; V57-V92 HydrophobicContact CG2-CG2 3.68Å; L88-V92 WeakPolarHBondContact O-CB 3.44Å; L88-V92 WeakPolarHBondContact O-CG2 2.85Å; L88-V92 PolarHBondContact O-N 3.08Å; V92-R95 PolarHBondContact O-N 3.27Å; V92-G96 PolarHBondContact O-N 3.2Å; V92-I97 HydrophobicContact CG1-CB 4.16Å; V92-I97 HydrophobicContact CG1-CG2 4.48Å; V92-I97 WeakPolarHBondContact CG1-O 3.25Å; V92-I97 PolarHBondContact O-N 3.18Å; V92-I97 VanDerWaalsContact O-N 3.15Å; V92-L99 HydrophobicContact CG2-CB 4.37Å; V92-M101 HydrophobicContact CG2-CE 3.59Å
93R97.5Very high97.4Very high172 Ų17257.3 Ų57.365%0.64932%0.317SS*.Hα-helixtrans-62.3-44.7178.8-178.4172.861.3-111.91.7112.3E89 T91 R95 G96E89-R93 WeakPolarHBondContact O-CB 3.37Å; E89-R93 PolarHBondContact O-N 3.4Å; T91-R93 PolarHBondContact O-N 3.35Å; R93-R95 PolarHBondContact O-N 2.88Å; R93-G96 PolarHBondContact O-N 2.8Å
94A97.9Very high97.2Very high87 Ų8758.1 Ų58.172%0.71932%0.319SS*.Hα-helixtrans-64.7-26.9-179.600000113R90 T91R90-A94 VanDerWaalsContact O-CB 3.29Å; R90-A94 WeakPolarHBondContact O-CB 3.08Å; R90-A94 PolarHBondContact O-N 2.74Å; T91-A94 PolarHBondContact O-N 3.46Å
95R97.6Very high97Very high107 Ų10762.9 Ų62.940%0.40434%0.34SS..Hα-helixtrans-98.2-8.1-178.4-67.7172.561.9171-4.9114.4D58 E61 T91 V92 R93 I97D58-R95 IonicContact OD1-CZ 3.03Å; D58-R95 IonicContact OD1-NH1 3.3Å; D58-R95 PolarHBondContact OD1-NH1 3.48Å; D58-R95 IonicContact OD1-NH2 2.82Å; D58-R95 PolarHBondContact OD1-NH2 2.97Å; D58-R95 IonicContact OD2-NH1 3.87Å; E61-R95 IonicContact OE2-CZ 3.48Å; E61-R95 IonicContact OE2-NH2 3.46Å; E61-R95 PolarHBondContact OE2-NH2 3.15Å; T91-R95 WeakPolarHBondContact O-CG 3.31Å; T91-R95 PolarHBondContact O-N 3.19Å; V92-R95 PolarHBondContact O-N 3.27Å; R93-R95 PolarHBondContact O-N 2.88Å; R95-I97 HydrophobicContact CB-CD1 3.74Å; R95-I97 HydrophobicContact CB-CG1 3.81Å; R95-I97 HydrophobicContact CG-CD1 4.47Å; R95-I97 VanDerWaalsContact NE-CD1 3.26Å; R95-I97 PolarHBondContact O-N 3.4Å
96G96.2Very high96.8Very high66 Ų6661.6 Ų61.668%0.6833%0.332SS*.THydrogen-bonded Turntrans66.425.5-174.800000113.5V92 R93V92-G96 PolarHBondContact O-N 3.2Å; R93-G96 PolarHBondContact O-N 2.8Å
97I95.1Very high96.5Very high26 Ų2664.3 Ų64.313%0.13334%0.337CS..  trans-78.3147.4178.1-66.7170.9000109.3V57 E61 V92 R95 L99V57-I97 HydrophobicContact CG1-CD1 3.67Å; E61-I97 VanDerWaalsContact CD-CD1 3.47Å; E61-I97 WeakPolarHBondContact OE1-CD1 3.4Å; E61-I97 WeakPolarHBondContact OE1-CG1 3.37Å; E61-I97 WeakPolarHBondContact OE2-CD1 3.47Å; V92-I97 HydrophobicContact CG1-CB 4.16Å; V92-I97 HydrophobicContact CG1-CG2 4.48Å; V92-I97 WeakPolarHBondContact CG1-O 3.25Å; V92-I97 PolarHBondContact O-N 3.18Å; V92-I97 VanDerWaalsContact O-N 3.15Å; R95-I97 HydrophobicContact CB-CD1 3.74Å; R95-I97 HydrophobicContact CB-CG1 3.81Å; R95-I97 HydrophobicContact CG-CD1 4.47Å; R95-I97 VanDerWaalsContact NE-CD1 3.26Å; R95-I97 PolarHBondContact O-N 3.4Å; I97-L99 HydrophobicContact CG2-CB 4.1Å
98V94.2Very high95.9Very high133 Ų13365 Ų6581%0.80634%0.341SS*.  trans-107.698.7169.5-176.90000108.5
99L96.1Very high95.2Very high14 Ų1470.6 Ų70.67%0.07337%0.366CS..  trans-128.994175.5-175.360.6000109A65 I68 V92 I97 M101A65-L99 HydrophobicContact CB-CD1 4.38Å; I68-L99 HydrophobicContact CD1-CD2 4.12Å; I68-L99 HydrophobicContact CD1-CG 4.44Å; I68-L99 HydrophobicContact CG1-CG 4.46Å; I68-L99 HydrophobicContact CG2-CD1 4.22Å; V92-L99 HydrophobicContact CG2-CB 4.37Å; I97-L99 HydrophobicContact CG2-CB 4.1Å; L99-M101 HydrophobicContact CB-CE 4.27Å; L99-M101 HydrophobicContact CD2-CE 3.92Å; L99-M101 HydrophobicContact CG-CE 4.11Å; L99-M101 WeakPolarHBondContact O-CG 3.46Å; L99-M101 PolarHBondContact O-N 3.5Å
100P97Very high94.4Very high66 Ų6666.9 Ų66.943%0.42935%0.351SS..  trans-61.2130178.8-23.534.4000111.6T66 S67 I68T66-P100 WeakPolarHBondContact O-CD 3.4Å; T66-P100 WeakPolarHBondContact O-CG 3.46Å; S67-P100 CarbonylContact C-O 3.59Å; S67-P100 VanDerWaalsContact CA-O 3.3Å; S67-P100 WeakPolarHBondContact CA-O 3.41Å; I68-P100 PolarHBondContact N-O 3.27Å
101M97.8Very high93.7Very high60 Ų6065 Ų6530%0.29634%0.344SS..EExtended strand (participates in β ladder)trans-120.9136.8-178.7-52-176.1-175.300110.3I68 L70 L88 V92 L99I68-M101 HydrophobicContact CD1-CE 4.13Å; I68-M101 HydrophobicContact CD1-CG 3.88Å; I68-M101 HydrophobicContact CD1-SD 4.13Å; I68-M101 HydrophobicContact CG1-CB 4.19Å; I68-M101 HydrophobicContact CG1-CG 3.72Å; I68-M101 CarbonylContact O-C 3.51Å; I68-M101 WeakPolarHBondContact O-CA 3.43Å; L70-M101 HydrophobicContact CD1-CB 4.01Å; L70-M101 HydrophobicContact CD1-CG 4.45Å; L70-M101 HydrophobicContact CD1-SD 4.5Å; L88-M101 HydrophobicContact CB-CE 3.96Å; L88-M101 HydrophobicContact CB-SD 3.9Å; L88-M101 HydrophobicContact CD1-SD 4.18Å; V92-M101 HydrophobicContact CG2-CE 3.59Å; L99-M101 HydrophobicContact CB-CE 4.27Å; L99-M101 HydrophobicContact CD2-CE 3.92Å; L99-M101 HydrophobicContact CG-CE 4.11Å; L99-M101 WeakPolarHBondContact O-CG 3.46Å; L99-M101 PolarHBondContact O-N 3.5Å
102S96.2Very high93.1Very high43 Ų4367.2 Ų67.230%0.30136%0.357SS..EExtended strand (participates in β ladder)trans-122.2160.3165.9740000110.2I68 T69 L70I68-S102 PolarHBondContact O-N 2.89Å; T69-S102 CarbonylContact C-O 3.5Å; T69-S102 WeakPolarHBondContact CA-O 3.26Å; T69-S102 WeakPolarHBondContact CB-OG 3.47Å; T69-S102 WeakPolarHBondContact CG2-OG 3.37Å; T69-S102 PolarHBondContact OG1-OG 2.97Å; L70-S102 PolarHBondContact N-O 3.37Å
103V96.2Very high92.8Very high58 Ų5867.3 Ų67.335%0.35236%0.357SS..EExtended strand (participates in β ladder)trans-124131.7-179.4-179.10000109.7L70 L81 V85 F105L70-V103 CarbonylContact O-C 3.58Å; L70-V103 WeakPolarHBondContact O-CA 3.3Å; L81-V103 HydrophobicContact CD2-CG1 3.7Å; V85-V103 HydrophobicContact CG2-CG2 4.38Å; V103-F105 HydrophobicContact CG1-CE1 4.22Å; V103-F105 HydrophobicContact CG1-CE2 3.9Å; V103-F105 HydrophobicContact CG1-CZ 3.67Å
104E94.4Very high92.2Very high54 Ų5463.3 Ų63.325%0.25235%0.348SS..EExtended strand (participates in β ladder)trans-126.1159.3175.4-67.9-62.1160.100110.1T69 L70 M71 C72 Y131T69-E104 HydrophobicContact CG2-CB 4.17Å; T69-E104 HydrophobicContact CG2-CG 3.52Å; L70-E104 PolarHBondContact O-N 3.05Å; M71-E104 CarbonylContact C-O 3.55Å; M71-E104 WeakPolarHBondContact CA-O 3.36Å; M71-E104 HydrophobicContact CE-CB 4.42Å; C72-E104 PolarHBondContact N-O 3.01Å; E104-Y131 HydrophobicContact CG-CE1 4.24Å
105F94.9Very high91.5Very high101 Ų10163.6 Ų63.644%0.44334%0.341SS..EExtended strand (participates in β ladder)trans-129.1130.5-179.4-59.2-85.5000110.9C72 L74 L81 V103C72-F105 HydrophobicContact CB-CD1 3.83Å; C72-F105 HydrophobicContact CB-CE1 4.11Å; L74-F105 HydrophobicContact CD1-CB 3.78Å; L74-F105 HydrophobicContact CD1-CD1 3.93Å; L74-F105 HydrophobicContact CD1-CG 4.16Å; L74-F105 HydrophobicContact CD2-CD1 4.05Å; L74-F105 HydrophobicContact CG-CB 4.27Å; L74-F105 HydrophobicContact CG-CD1 4Å; L81-F105 HydrophobicContact CD2-CD1 4.46Å; L81-F105 HydrophobicContact CD2-CE1 3.62Å; L81-F105 HydrophobicContact CD2-CZ 4.14Å; V103-F105 HydrophobicContact CG1-CE1 4.22Å; V103-F105 HydrophobicContact CG1-CE2 3.9Å; V103-F105 HydrophobicContact CG1-CZ 3.67Å
106V94.1Very high90.8Very high0 Ų060.1 Ų60.10%033%0.334CS..EExtended strand (participates in β ladder)trans-122.7140.6170.762.90000108.7M71 C72 V73 L74 V108 L122 L125 L152M71-V106 HydrophobicContact CG-CB 4.32Å; M71-V106 HydrophobicContact CG-CG1 3.74Å; M71-V106 HydrophobicContact SD-CB 4.18Å; M71-V106 HydrophobicContact SD-CG1 3.84Å; C72-V106 PolarHBondContact O-N 3.04Å; V73-V106 CarbonylContact C-O 3.5Å; V73-V106 WeakPolarHBondContact CA-O 3.41Å; V73-V106 HydrophobicContact CG2-CG1 4.1Å; L74-V106 PolarHBondContact N-O 3.28Å; V106-V108 HydrophobicContact CG2-CG2 4.46Å; V106-L122 HydrophobicContact CG2-CD2 3.76Å; V106-L125 HydrophobicContact CB-CD2 3.93Å; V106-L125 HydrophobicContact CB-CG 4.34Å; V106-L125 HydrophobicContact CG2-CD1 4.15Å; V106-L125 HydrophobicContact CG2-CD2 3.83Å; V106-L125 HydrophobicContact CG2-CG 3.72Å; V106-L152 HydrophobicContact CG1-CD1 4.39Å; V106-L152 HydrophobicContact CG1-CD2 4.06Å; V106-L152 HydrophobicContact CG2-CD1 4.48Å
107R91.8Very high90.3Very high126 Ų12659.1 Ų59.148%0.47531%0.312SS..EExtended strand (participates in β ladder)trans-103127173.4-177.2178.9-177.1-177.4-0.2109.6L74 T123L74-R107 HydrophobicContact CB-CB 4.46Å; R107-T123 WeakPolarHBondContact CB-OG1 3.46Å; R107-T123 PolarHBondContact N-O 2.96Å; R107-T123 PolarHBondContact O-N 2.82Å; R107-T123 PolarHBondContact O-OG1 2.85Å
108V86.5Confident89.5Confident16 Ų1666.4 Ų66.410%0.09735%0.345CS..EExtended strand (participates in β ladder)trans-119.4130.5171.8-171.30000109.9V73 L74 V106 P120 I121 L122 T148V73-V108 HydrophobicContact CG1-CB 4.08Å; V73-V108 HydrophobicContact CG1-CG2 3.9Å; L74-V108 PolarHBondContact O-N 3.39Å; V106-V108 HydrophobicContact CG2-CG2 4.46Å; V108-P120 HydrophobicContact CG1-CB 3.67Å; V108-I121 WeakPolarHBondContact CA-O 3.46Å; V108-L122 HydrophobicContact CG2-CD2 3.54Å; V108-L122 HydrophobicContact CG2-CG 4.39Å; V108-T148 HydrophobicContact CB-CG2 3.92Å; V108-T148 HydrophobicContact CG1-CG2 3.52Å; V108-T148 HydrophobicContact CG2-CG2 4.15Å
109K83.9Confident89Confident119 Ų11966.3 Ų66.352%0.51734%0.336SS..EExtended strand (participates in β ladder)trans-105119.6168.6-169.8178.5-179.3-177.40108.8I117 P120 I121K109-I117 VanDerWaalsContact O-CD1 3.3Å; K109-I117 WeakPolarHBondContact O-CD1 3.19Å; K109-P120 WeakPolarHBondContact O-CA 3.29Å; K109-I121 PolarHBondContact N-O 2.87Å; K109-I121 VanDerWaalsContact N-O 3.14Å; K109-I121 PolarHBondContact O-N 3.31Å; K109-I121 VanDerWaalsContact O-N 3.16Å
110S81.7Confident88.3Confident23 Ų2366 Ų6616%0.16134%0.335CS..EExtended strand (participates in β ladder)trans-133.1-9-173.551.40000115S116 I117 T148S110-S116 CarbonylContact O-C 3.55Å; S110-S116 VanDerWaalsContact O-CA 3.31Å; S110-S116 WeakPolarHBondContact O-CA 3.38Å; S110-I117 PolarHBondContact O-N 2.81Å; S110-T148 VanDerWaalsContact CB-OG1 3.3Å; S110-T148 WeakPolarHBondContact CB-OG1 3.42Å
111Y83.9Confident87.6Confident64 Ų6467.5 Ų67.525%0.25134%0.338SS..EExtended strand (participates in β ladder)trans-135.1153.2-176.9-74-92.1000113.6V115 D144Y111-V115 WeakPolarHBondContact CA-O 3.2Å; Y111-V115 WeakPolarHBondContact CD1-O 3.26Å; Y111-D144 VanDerWaalsContact OH-CB 3.28Å; Y111-D144 WeakPolarHBondContact OH-CB 3.38Å; Y111-D144 PolarHBondContact OH-OD2 3.42Å
112V84.6Confident87.1Confident58 Ų5866.6 Ų66.635%0.35233%0.334SS..EExtended strand (participates in β ladder)trans-137.8125.1162.5178.80000106.7D114 V115 I117 V224V112-D114 PolarHBondContact O-N 2.77Å; V112-V115 PolarHBondContact N-O 3.29Å; V112-V115 VanDerWaalsContact N-O 3.13Å; V112-V115 PolarHBondContact O-N 3.23Å; V112-I117 HydrophobicContact CG2-CG2 3.99Å; V112-V224 HydrophobicContact CG1-CG2 3.58Å
113N91.3Very high86.7Confident21 Ų2167.9 Ų67.911%0.11234%0.341CS..THydrogen-bonded Turntrans54.9-131.7-164.3-58.3-49.9000110.7Y201 N202 V224N113-Y201 HydrophobicContact CB-CE2 4.27Å; N113-N202 WeakPolarHBondContact CA-OD1 3.44Å; N113-N202 PolarHBondContact N-OD1 2.73Å; N113-N202 PolarHBondContact OD1-ND2 2.75Å; N113-V224 PolarHBondContact ND2-O 2.81Å; N113-V224 VanDerWaalsContact OD1-CG2 3.27Å; N113-V224 WeakPolarHBondContact OD1-CG2 3.33Å; N113-V224 PolarHBondContact OD1-N 3.09Å
114D84.2Confident86Confident87 Ų8768 Ų6847%0.46535%0.353SS..THydrogen-bonded Turntrans-957.2178.463.6-32.7000113.6V112 F193 Y201V112-D114 PolarHBondContact O-N 2.77Å; D114-F193 HydrophobicContact CB-CD2 3.69Å; D114-F193 HydrophobicContact CB-CE2 3.91Å; D114-F193 HydrophobicContact CB-CG 4.48Å; D114-Y201 HydrophobicContact CB-CE2 4.46Å
115V84.7Confident85.3Confident93 Ų9367.2 Ų67.256%0.56435%0.351SS*.EExtended strand (participates in β ladder)trans-111.2131.5-173.4-175.40000111.7Y111 V112Y111-V115 WeakPolarHBondContact CA-O 3.2Å; Y111-V115 WeakPolarHBondContact CD1-O 3.26Å; V112-V115 PolarHBondContact N-O 3.29Å; V112-V115 VanDerWaalsContact N-O 3.13Å; V112-V115 PolarHBondContact O-N 3.23Å
116S82.6Confident84.4Confident35 Ų3564.5 Ų64.525%0.24535%0.351CS..EExtended strand (participates in β ladder)trans-70.1134.417576.20000111.2S110S110-S116 CarbonylContact O-C 3.55Å; S110-S116 VanDerWaalsContact O-CA 3.31Å; S110-S116 WeakPolarHBondContact O-CA 3.38Å
117I85.7Confident83.9Confident45 Ų4568.4 Ų68.423%0.23137%0.372CS..EExtended strand (participates in β ladder)trans-72.2161.2171.671.2178000111.2K109 S110 V112 E119K109-I117 VanDerWaalsContact O-CD1 3.3Å; K109-I117 WeakPolarHBondContact O-CD1 3.19Å; S110-I117 PolarHBondContact O-N 2.81Å; V112-I117 HydrophobicContact CG2-CG2 3.99Å; I117-E119 VanDerWaalsContact CD1-O 3.28Å; I117-E119 WeakPolarHBondContact CD1-O 3.43Å
118H78.8Confident83.3Confident179 Ų17966 Ų6683%0.82937%0.372SS*.EExtended strand (participates in β ladder)trans-66.2-43-174.7-148.870000112.6
119E82.1Confident83.2Confident130 Ų13068.9 Ų68.961%0.60739%0.394SS*.EExtended strand (participates in β ladder)trans-130.3115.5-177.5-169.3175.3178.100111.2I117 K151I117-E119 VanDerWaalsContact CD1-O 3.28Å; I117-E119 WeakPolarHBondContact CD1-O 3.43Å; E119-K151 VanDerWaalsContact CG-NZ 3.32Å; E119-K151 IonicContact OE1-NZ 3.93Å; E119-K151 PolarHBondContact OE1-NZ 3.48Å
120P81.6Confident83.4Confident8 Ų867.2 Ų67.25%0.05239%0.388CS..EExtended strand (participates in β ladder)trans-63.6138.7176-20.631.3000111.8V108 K109 K147 K151V108-P120 HydrophobicContact CG1-CB 3.67Å; K109-P120 WeakPolarHBondContact O-CA 3.29Å; P120-K147 HydrophobicContact CG-CB 4.28Å; P120-K151 HydrophobicContact CB-CD 4.28Å; P120-K151 VanDerWaalsContact O-CD 3.29Å; P120-K151 WeakPolarHBondContact O-CD 3.35Å; P120-K151 VanDerWaalsContact O-CE 3.28Å; P120-K151 WeakPolarHBondContact O-CE 3.36Å; P120-K151 PolarHBondContact O-NZ 3.01Å
121I83.2Confident83.8Confident98 Ų9866.2 Ų66.250%0.50338%0.38SS..EExtended strand (participates in β ladder)trans-101.4119.2178.5-56.7173.1000109.2V108 K109 T123V108-I121 WeakPolarHBondContact CA-O 3.46Å; K109-I121 PolarHBondContact N-O 2.87Å; K109-I121 VanDerWaalsContact N-O 3.14Å; K109-I121 PolarHBondContact O-N 3.31Å; K109-I121 VanDerWaalsContact O-N 3.16Å; I121-T123 HydrophobicContact CG2-CG2 4.33Å
122L85.8Confident84.2Confident40 Ų4069 Ų6921%0.20939%0.394CS..EExtended strand (participates in β ladder)trans-91.4130176.3-74.2156.1000110.2V106 V108 L125 K151 L152 H155V106-L122 HydrophobicContact CG2-CD2 3.76Å; V108-L122 HydrophobicContact CG2-CD2 3.54Å; V108-L122 HydrophobicContact CG2-CG 4.39Å; L122-L125 HydrophobicContact CD2-CD1 4.39Å; L122-K151 HydrophobicContact CD1-CD 4.26Å; L122-K151 HydrophobicContact CD1-CG 3.9Å; L122-L152 HydrophobicContact CD2-CB 4.27Å; L122-L152 HydrophobicContact CD2-CD1 3.73Å; L122-H155 HydrophobicContact CD1-CB 4.31Å
123T87.9Confident84.6Confident71 Ų7171.5 Ų71.544%0.43641%0.405SS..EExtended strand (participates in β ladder)trans-141153172.749.90000110.6R107 I121R107-T123 WeakPolarHBondContact CB-OG1 3.46Å; R107-T123 PolarHBondContact N-O 2.96Å; R107-T123 PolarHBondContact O-N 2.82Å; R107-T123 PolarHBondContact O-OG1 2.85Å; I121-T123 HydrophobicContact CG2-CG2 4.33Å
124G83.3Confident84.8Confident60 Ų6073.5 Ų73.562%0.61941%0.413SS*.  trans91.32175.800000115.9G126G124-G126 PolarHBondContact O-N 2.81Å
125L79.1Confident85.4Confident37 Ų3769.6 Ų69.619%0.19439%0.392CS..  trans-72.6116.7168.1-64.4169.2000107.8M71 V106 L122 L152 H155M71-L125 HydrophobicContact CE-CD2 3.52Å; M71-L125 HydrophobicContact SD-CD2 3.89Å; V106-L125 HydrophobicContact CB-CD2 3.93Å; V106-L125 HydrophobicContact CB-CG 4.34Å; V106-L125 HydrophobicContact CG2-CD1 4.15Å; V106-L125 HydrophobicContact CG2-CD2 3.83Å; V106-L125 HydrophobicContact CG2-CG 3.72Å; L122-L125 HydrophobicContact CD2-CD1 4.39Å; L125-L152 HydrophobicContact CD1-CD1 4.46Å; L125-H155 WeakPolarHBondContact CD1-CD2 3.28Å; L125-H155 WeakPolarHBondContact CD1-NE2 3.44Å
126G75.9Confident86Confident44 Ų4465.1 Ų65.145%0.45437%0.365SS..  trans-69.9-141.4-178.400000113.3G124 P128G124-G126 PolarHBondContact O-N 2.81Å; G126-P128 VanDerWaalsContact O-CD 3.3Å; G126-P128 WeakPolarHBondContact O-CD 3.28Å
127D82.9Confident86.7Confident83 Ų8363.5 Ų63.544%0.44435%0.353SS..  trans-66.3122177.4178.8-0.4000110.2S129 E130D127-S129 PolarHBondContact O-N 3.09Å; D127-S129 WeakPolarHBondContact OD1-CB 3.48Å; D127-S129 PolarHBondContact OD1-N 2.83Å; D127-S129 PolarHBondContact OD1-OG 2.96Å; D127-S129 PolarHBondContact OD2-OG 3.43Å; D127-E130 HydrophobicContact CB-CG 4.08Å; D127-E130 WeakPolarHBondContact O-CB 3.34Å; D127-E130 PolarHBondContact O-N 2.83Å
128P80Confident87.3Confident74 Ų7461.3 Ų61.348%0.48134%0.343SS..G310 helixtrans-45-35.7172.2-34.740.4000115G126 E130 Y131 L159G126-P128 VanDerWaalsContact O-CD 3.3Å; G126-P128 WeakPolarHBondContact O-CD 3.28Å; P128-E130 PolarHBondContact O-N 2.92Å; P128-Y131 PolarHBondContact O-N 3.4Å; P128-L159 HydrophobicContact CB-CD2 3.85Å; P128-L159 HydrophobicContact CG-CD2 4.46Å
129S84.2Confident88.2Confident78 Ų7852.8 Ų52.855%0.54530%0.303SS..G310 helixtrans-63.9-24.7-177.782.80000112.9D127 Y131 K132D127-S129 PolarHBondContact O-N 3.09Å; D127-S129 WeakPolarHBondContact OD1-CB 3.48Å; D127-S129 PolarHBondContact OD1-N 2.83Å; D127-S129 PolarHBondContact OD1-OG 2.96Å; D127-S129 PolarHBondContact OD2-OG 3.43Å; S129-Y131 PolarHBondContact O-N 3.11Å; S129-K132 PolarHBondContact O-N 2.84Å
130E87.1Confident88.9Confident84 Ų8447 Ų4739%0.39328%0.276SS..G310 helixtrans-69.6-18.2179.8-66.6175.5-176.900112.7D127 P128 K134D127-E130 HydrophobicContact CB-CG 4.08Å; D127-E130 WeakPolarHBondContact O-CB 3.34Å; D127-E130 PolarHBondContact O-N 2.83Å; P128-E130 PolarHBondContact O-N 2.92Å; E130-K134 WeakPolarHBondContact O-CD 3.44Å; E130-K134 WeakPolarHBondContact O-CE 3.26Å; E130-K134 PolarHBondContact O-NZ 3.04Å
131Y90.3Very high89.7Confident1 Ų147.9 Ų47.90%0.00428%0.28CS..G310 helixtrans-98.7-13.6-177.8-62.7-76.4000113.4M71 E104 P128 S129 D133 K134 V136 L156 L159 T161M71-Y131 HydrophobicContact CE-CD1 4.02Å; M71-Y131 HydrophobicContact CE-CE1 3.19Å; E104-Y131 HydrophobicContact CG-CE1 4.24Å; P128-Y131 PolarHBondContact O-N 3.4Å; S129-Y131 PolarHBondContact O-N 3.11Å; Y131-D133 PolarHBondContact O-N 3.14Å; Y131-K134 PolarHBondContact O-N 2.83Å; Y131-V136 HydrophobicContact CD1-CG2 4.35Å; Y131-L156 HydrophobicContact CD1-CD2 4.44Å; Y131-L159 HydrophobicContact CD2-CD1 3.64Å; Y131-L159 HydrophobicContact CG-CD1 3.94Å; Y131-T161 VanDerWaalsContact O-CG2 3.3Å; Y131-T161 WeakPolarHBondContact O-CG2 3.49Å
132K92.4Very high90.3Very high123 Ų12344.5 Ų44.554%0.53526%0.263SS..THydrogen-bonded Turntrans-60135.5-178.3-174.3179.8175.3-176.90111.1S129 K134S129-K132 PolarHBondContact O-N 2.84Å; K132-K134 PolarHBondContact O-N 3.46Å
133D94Very high90.7Very high111 Ų11142.7 Ų42.759%0.59425%0.253SS*.THydrogen-bonded Turntrans58.711.5178.5-60-48.7000115.1Y131 S160 K162Y131-D133 PolarHBondContact O-N 3.14Å; D133-S160 PolarHBondContact N-O 3.3Å; D133-K162 VanDerWaalsContact C-CB 3.46Å; D133-K162 VanDerWaalsContact O-CB 3.31Å; D133-K162 WeakPolarHBondContact O-CB 3.3Å
134K94.4Very high90.9Very high62 Ų6240.4 Ų40.427%0.2724%0.239SC..  trans-91.3150176.1-67.5-165.6-179.4161.50112.7E130 Y131 K132 K162 S163E130-K134 WeakPolarHBondContact O-CD 3.44Å; E130-K134 WeakPolarHBondContact O-CE 3.26Å; E130-K134 PolarHBondContact O-NZ 3.04Å; Y131-K134 PolarHBondContact O-N 2.83Å; K132-K134 PolarHBondContact O-N 3.46Å; K134-K162 WeakPolarHBondContact O-CB 3.15Å; K134-K162 PolarHBondContact O-N 3.34Å; K134-S163 PolarHBondContact O-N 2.85Å
135N97.3Very high91.1Very high5 Ų540.1 Ų40.13%0.02723%0.225CC..EExtended strand (participates in β ladder)trans-86118.1165.1-53.4-64.4000108.7Y60 S67 I68 T69 S163Y60-N135 HydrophobicContact CE1-CB 3.94Å; S67-N135 WeakPolarHBondContact O-CB 3.45Å; S67-N135 PolarHBondContact O-ND2 3.09Å; I68-N135 HydrophobicContact CG2-CB 4.46Å; T69-N135 PolarHBondContact N-O 3.41Å; N135-S163 WeakPolarHBondContact CB-OG 3.3Å; N135-S163 PolarHBondContact OD1-OG 3.3Å
136V97.1Very high91.6Very high0 Ų038.7 Ų38.70%022%0.219CC..EExtended strand (participates in β ladder)trans-107.2127.4-179.7-1780000109.3T69 M71 Y131 V138 L156 T161 S163 V164 K165T69-V136 WeakPolarHBondContact O-CA 3.36Å; M71-V136 HydrophobicContact CB-CG1 3.95Å; Y131-V136 HydrophobicContact CD1-CG2 4.35Å; V136-V138 HydrophobicContact CG1-CG2 4.3Å; V136-L156 HydrophobicContact CG1-CD1 4.06Å; V136-T161 HydrophobicContact CG2-CG2 3.93Å; V136-S163 PolarHBondContact N-O 3.49Å; V136-V164 WeakPolarHBondContact O-CA 3.31Å; V136-K165 PolarHBondContact O-N 3.47Å
137L98.2Very high92.2Very high0 Ų041 Ų410%022%0.216CC..EExtended strand (participates in β ladder)trans-106.9103.8168.3179.663.8000108.1I56 T69 L70 M71 V139 K165 A167 F184I56-L137 HydrophobicContact CD1-CD2 4.14Å; I56-L137 HydrophobicContact CG2-CD2 3.85Å; T69-L137 PolarHBondContact O-N 3.46Å; L70-L137 CarbonylContact C-O 3.19Å; L70-L137 WeakPolarHBondContact CA-O 3.48Å; L70-L137 HydrophobicContact CD2-CD2 4.4Å; L70-L137 HydrophobicContact CG-CD2 4.44Å; M71-L137 PolarHBondContact N-O 3.42Å; L137-V139 HydrophobicContact CG-CG2 4.41Å; L137-K165 CarbonylContact C-O 3.33Å; L137-K165 WeakPolarHBondContact CA-O 3.47Å; L137-K165 HydrophobicContact CD1-CB 3.8Å; L137-A167 HydrophobicContact CD1-CB 4.02Å; L137-A167 HydrophobicContact CG-CB 4.39Å; L137-F184 HydrophobicContact CD1-CD2 3.99Å; L137-F184 HydrophobicContact CD1-CE2 4.07Å
138V97.7Very high92.4Very high0 Ų037.7 Ų37.70%020%0.199CC..EExtended strand (participates in β ladder)trans-71.7131172.7-177.30000108.8M71 V73 V136 I149 L152 L156 V164 K165 V166 A167M71-V138 CarbonylContact O-C 3.55Å; M71-V138 WeakPolarHBondContact O-CA 3.41Å; V73-V138 HydrophobicContact CG2-CG1 3.68Å; V136-V138 HydrophobicContact CG1-CG2 4.3Å; V138-I149 HydrophobicContact CB-CD1 4.22Å; V138-I149 HydrophobicContact CG1-CD1 3.66Å; V138-L152 HydrophobicContact CG1-CD2 3.61Å; V138-L152 HydrophobicContact CG2-CD2 4.2Å; V138-L156 HydrophobicContact CG2-CD1 3.68Å; V138-V164 HydrophobicContact CG2-CG1 4.15Å; V138-K165 PolarHBondContact N-O 3.06Å; V138-V166 HydrophobicContact CB-CG2 4.12Å; V138-V166 WeakPolarHBondContact O-CA 3.3Å; V138-A167 PolarHBondContact O-N 3.41Å
139V98.2Very high93Very high0 Ų034.1 Ų34.10%018%0.176CC..EExtended strand (participates in β ladder)trans-114.8106.1180-175.80000108.2L70 M71 V73 F80 L81 L84 L137 A167L70-V139 HydrophobicContact CB-CG2 4.36Å; L70-V139 HydrophobicContact CD2-CG2 4.27Å; M71-V139 PolarHBondContact O-N 2.94Å; V73-V139 PolarHBondContact N-O 3Å; F80-V139 HydrophobicContact CD1-CG1 3.41Å; F80-V139 VanDerWaalsContact CD1-CG1 3.41Å; F80-V139 HydrophobicContact CE1-CG1 3.4Å; F80-V139 VanDerWaalsContact CE1-CG1 3.4Å; F80-V139 HydrophobicContact CG-CG1 4.07Å; F80-V139 HydrophobicContact CZ-CG1 4.04Å; L81-V139 HydrophobicContact CB-CG1 4.17Å; L81-V139 HydrophobicContact CD1-CB 4.21Å; L81-V139 HydrophobicContact CD1-CG1 4.27Å; L81-V139 HydrophobicContact CD1-CG2 3.97Å; L84-V139 HydrophobicContact CD2-CG1 4.17Å; L84-V139 HydrophobicContact CD2-CG2 4.09Å; L137-V139 HydrophobicContact CG-CG2 4.41Å; V139-A167 WeakPolarHBondContact CA-O 3.33Å
140E96.2Very high93.3Very high9 Ų933.7 Ų33.74%0.04217%0.17CC..EExtended strand (participates in β ladder)trans-117.8143.5-176.8-167.9169.4-173.200111.1V73 F80 I143 T148 I149 A167 S168 L169V73-E140 HydrophobicContact CB-CG 4.39Å; V73-E140 HydrophobicContact CG2-CB 4.26Å; V73-E140 HydrophobicContact CG2-CG 4.42Å; F80-E140 VanDerWaalsContact CD1-O 3.3Å; F80-E140 WeakPolarHBondContact CD1-O 3.38Å; F80-E140 VanDerWaalsContact CE1-O 3.28Å; F80-E140 WeakPolarHBondContact CE1-O 3.06Å; E140-I143 HydrophobicContact CG-CD1 4.33Å; E140-I143 WeakPolarHBondContact OE2-CD1 3.29Å; E140-T148 WeakPolarHBondContact OE1-CG2 3.47Å; E140-I149 VanDerWaalsContact OE2-CB 3.31Å; E140-I149 WeakPolarHBondContact OE2-CB 3.47Å; E140-I149 WeakPolarHBondContact OE2-CD1 3.31Å; E140-I149 WeakPolarHBondContact OE2-CG1 3.3Å; E140-A167 PolarHBondContact N-O 3.3Å; E140-S168 VanDerWaalsContact O-CA 3.25Å; E140-S168 WeakPolarHBondContact O-CA 3.46Å; E140-S168 PolarHBondContact O-OG 3.2Å; E140-L169 PolarHBondContact O-N 3.29Å; E140-L169 VanDerWaalsContact O-N 3.11Å
141D97.6Very high93.5Very high25 Ų2532.7 Ų32.713%0.13416%0.164CC..EExtended strand (participates in β ladder)trans-70.6-45.1-18055.9-22.9000112.7G76 L169 L170 L199G76-D141 VanDerWaalsContact CA-OD2 3.3Å; G76-D141 WeakPolarHBondContact CA-OD2 3.28Å; D141-L169 WeakPolarHBondContact O-CB 3.28Å; D141-L170 PolarHBondContact O-N 3.49Å; D141-L170 VanDerWaalsContact O-N 3.09Å; D141-L199 HydrophobicContact CB-CD2 3.75Å; D141-L199 VanDerWaalsContact OD2-CD2 3.31Å; D141-L199 WeakPolarHBondContact OD2-CD2 3.4Å
142I96.6Very high93.6Very high27 Ų2732.7 Ų32.714%0.13816%0.164CC..EExtended strand (participates in β ladder)trans-152.3129.3-176.7-172.2164.5000113.5L170 K172 V194 L199I142-L170 CarbonylContact C-O 3.57Å; I142-L170 VanDerWaalsContact CA-O 3.3Å; I142-L170 WeakPolarHBondContact CA-O 3.28Å; I142-L170 HydrophobicContact CB-CB 4.03Å; I142-L170 HydrophobicContact CD1-CB 4.04Å; I142-L170 HydrophobicContact CD1-CD1 3.92Å; I142-L170 HydrophobicContact CG1-CB 3.74Å; I142-L170 HydrophobicContact CG1-CD1 4.43Å; I142-K172 HydrophobicContact CD1-CD 4.26Å; I142-K172 HydrophobicContact CD1-CG 3.93Å; I142-K172 HydrophobicContact CG1-CG 4.36Å; I142-V194 HydrophobicContact CD1-CG2 3.66Å; I142-L199 HydrophobicContact CB-CD2 4.07Å; I142-L199 HydrophobicContact CG2-CD2 3.75Å
143I94.5Very high93.6Very high2 Ų228.2 Ų28.21%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-89.7119.7163.8-58-50.5000109.9E140 I149 L170 V171 K172 N178 P182E140-I143 HydrophobicContact CG-CD1 4.33Å; E140-I143 WeakPolarHBondContact OE2-CD1 3.29Å; I143-I149 HydrophobicContact CD1-CB 3.94Å; I143-I149 HydrophobicContact CD1-CG1 4.3Å; I143-I149 HydrophobicContact CD1-CG2 3.8Å; I143-L170 PolarHBondContact N-O 2.87Å; I143-V171 HydrophobicContact CB-CG2 4.17Å; I143-V171 HydrophobicContact CG1-CG2 4.37Å; I143-K172 PolarHBondContact O-N 3.29Å; I143-N178 VanDerWaalsContact CG2-ND2 3.27Å; I143-N178 WeakPolarHBondContact CG2-ND2 3.15Å; I143-P182 HydrophobicContact CD1-CG 4.41Å; I143-P182 HydrophobicContact CG1-CG 3.51Å
144D91.9Very high93.5Very high24 Ų2426.3 Ų26.313%0.12814%0.141CC..SBendtrans-110.3-94.7171-169.3-20.9000109.6Y111 G146 K172 N178Y111-D144 VanDerWaalsContact OH-CB 3.28Å; Y111-D144 WeakPolarHBondContact OH-CB 3.38Å; Y111-D144 PolarHBondContact OH-OD2 3.42Å; D144-G146 VanDerWaalsContact C-N 3.3Å; D144-G146 PolarHBondContact O-N 3.17Å; D144-K172 HydrophobicContact CB-CD 4.14Å; D144-K172 WeakPolarHBondContact OD2-CD 3.47Å; D144-K172 IonicContact OD2-NZ 3.68Å; D144-K172 PolarHBondContact OD2-NZ 2.69Å; D144-N178 PolarHBondContact O-ND2 3.23Å
145T88.2Confident93.4Very high54 Ų5426.5 Ų26.533%0.33114%0.143SC..SBendtrans-76.1-12.2179.763.60000114.6K147 N178T145-K147 PolarHBondContact O-N 3.45Å; T145-N178 VanDerWaalsContact C-ND2 3.29Å
146G88.8Confident93.2Very high6 Ų626.3 Ų26.36%0.06214%0.142CC..SBendtrans78.4-11.3-17700000115.3D144 T148 I149 T150 N178D144-G146 VanDerWaalsContact C-N 3.3Å; D144-G146 PolarHBondContact O-N 3.17Å; G146-T148 VanDerWaalsContact C-N 3.34Å; G146-T148 PolarHBondContact O-N 3.19Å; G146-I149 VanDerWaalsContact O-CG2 3.26Å; G146-I149 WeakPolarHBondContact O-CG2 3.43Å; G146-I149 PolarHBondContact O-N 2.85Å; G146-T150 WeakPolarHBondContact O-CB 3.46Å; G146-T150 PolarHBondContact O-N 3.4Å; G146-T150 PolarHBondContact O-OG1 3.19Å; G146-N178 WeakPolarHBondContact CA-ND2 3.46Å; G146-N178 PolarHBondContact N-ND2 2.96Å
147K87.8Confident92.9Very high93 Ų9330.7 Ų30.740%0.40417%0.166SC..Hα-helixtrans-57.6-42.9-176.5-65.9179.4-178.1176.90113.6P120 T145 K151P120-K147 HydrophobicContact CG-CB 4.28Å; T145-K147 PolarHBondContact O-N 3.45Å; K147-K151 WeakPolarHBondContact O-CB 3.28Å; K147-K151 PolarHBondContact O-N 2.86Å; K147-K151 VanDerWaalsContact O-N 3.11Å
148T88Confident92.6Very high13 Ų1334.6 Ų34.68%0.0819%0.193CC..Hα-helixtrans-57.1-55.9178.3-56.70000110.8V108 S110 E140 G146 K151 L152V108-T148 HydrophobicContact CB-CG2 3.92Å; V108-T148 HydrophobicContact CG1-CG2 3.52Å; V108-T148 HydrophobicContact CG2-CG2 4.15Å; S110-T148 VanDerWaalsContact CB-OG1 3.3Å; S110-T148 WeakPolarHBondContact CB-OG1 3.42Å; E140-T148 WeakPolarHBondContact OE1-CG2 3.47Å; G146-T148 VanDerWaalsContact C-N 3.34Å; G146-T148 PolarHBondContact O-N 3.19Å; T148-K151 PolarHBondContact O-N 3.03Å; T148-L152 PolarHBondContact O-N 2.95Å
149I92.6Very high92.4Very high0 Ų035.6 Ų35.60%020%0.198CC..Hα-helixtrans-70.6-37.9-174-163.652.8000112V138 E140 I143 G146 K151 L152 I153 V166 Y180V138-I149 HydrophobicContact CB-CD1 4.22Å; V138-I149 HydrophobicContact CG1-CD1 3.66Å; E140-I149 VanDerWaalsContact OE2-CB 3.31Å; E140-I149 WeakPolarHBondContact OE2-CB 3.47Å; E140-I149 WeakPolarHBondContact OE2-CD1 3.31Å; E140-I149 WeakPolarHBondContact OE2-CG1 3.3Å; I143-I149 HydrophobicContact CD1-CB 3.94Å; I143-I149 HydrophobicContact CD1-CG1 4.3Å; I143-I149 HydrophobicContact CD1-CG2 3.8Å; G146-I149 VanDerWaalsContact O-CG2 3.26Å; G146-I149 WeakPolarHBondContact O-CG2 3.43Å; G146-I149 PolarHBondContact O-N 2.85Å; I149-K151 VanDerWaalsContact C-N 3.31Å; I149-K151 PolarHBondContact O-N 3.47Å; I149-L152 HydrophobicContact CD1-CD2 4.37Å; I149-L152 PolarHBondContact O-N 3.02Å; I149-I153 HydrophobicContact CD1-CD1 4.36Å; I149-I153 HydrophobicContact CD1-CG1 4.27Å; I149-I153 HydrophobicContact CG1-CD1 3.83Å; I149-I153 HydrophobicContact CG1-CG1 4.25Å; I149-I153 WeakPolarHBondContact O-CB 3.47Å; I149-I153 VanDerWaalsContact O-CG1 3.25Å; I149-I153 WeakPolarHBondContact O-CG1 3.28Å; I149-I153 PolarHBondContact O-N 3.24Å; I149-V166 HydrophobicContact CD1-CG1 3.92Å; I149-V166 HydrophobicContact CD1-CG2 3.78Å; I149-V166 HydrophobicContact CG1-CG1 3.99Å; I149-V166 HydrophobicContact CG1-CG2 3.91Å; I149-Y180 HydrophobicContact CB-CE1 4.31Å; I149-Y180 HydrophobicContact CG1-CD1 4.49Å; I149-Y180 HydrophobicContact CG1-CE1 3.81Å; I149-Y180 HydrophobicContact CG2-CD1 3.32Å; I149-Y180 HydrophobicContact CG2-CE1 3.51Å; I149-Y180 HydrophobicContact CG2-CG 3.89Å
150T91.5Very high92.1Very high68 Ų6839.1 Ų39.142%0.41722%0.222SC..Hα-helixtrans-60.3-41.8174.8-57.40000111.5G146 S154G146-T150 WeakPolarHBondContact O-CB 3.46Å; G146-T150 PolarHBondContact O-N 3.4Å; G146-T150 PolarHBondContact O-OG1 3.19Å; T150-S154 WeakPolarHBondContact O-CB 3.37Å; T150-S154 PolarHBondContact O-N 2.81Å; T150-S154 PolarHBondContact O-OG 3.16Å
151K90.4Very high92Very high64 Ų6439.6 Ų39.628%0.27823%0.226SC..Hα-helixtrans-66-42.8177-173.1172.1178.7166.50111.7E119 P120 L122 K147 T148 I149 H155E119-K151 VanDerWaalsContact CG-NZ 3.32Å; E119-K151 IonicContact OE1-NZ 3.93Å; E119-K151 PolarHBondContact OE1-NZ 3.48Å; P120-K151 HydrophobicContact CB-CD 4.28Å; P120-K151 VanDerWaalsContact O-CD 3.29Å; P120-K151 WeakPolarHBondContact O-CD 3.35Å; P120-K151 VanDerWaalsContact O-CE 3.28Å; P120-K151 WeakPolarHBondContact O-CE 3.36Å; P120-K151 PolarHBondContact O-NZ 3.01Å; L122-K151 HydrophobicContact CD1-CD 4.26Å; L122-K151 HydrophobicContact CD1-CG 3.9Å; K147-K151 WeakPolarHBondContact O-CB 3.28Å; K147-K151 PolarHBondContact O-N 2.86Å; K147-K151 VanDerWaalsContact O-N 3.11Å; T148-K151 PolarHBondContact O-N 3.03Å; I149-K151 VanDerWaalsContact C-N 3.31Å; I149-K151 PolarHBondContact O-N 3.47Å; K151-H155 PolarHBondContact O-N 3.14Å; K151-H155 VanDerWaalsContact O-N 3.08Å
152L92.6Very high91.9Very high0 Ų044.2 Ų44.20%025%0.245CC..Hα-helixtrans-65.9-46178.5177.757.2000112M71 V73 V106 L122 L125 V138 T148 I149 S154 H155 L156M71-L152 HydrophobicContact SD-CD1 4.05Å; M71-L152 HydrophobicContact SD-CD2 4.49Å; V73-L152 HydrophobicContact CG2-CD2 3.81Å; V106-L152 HydrophobicContact CG1-CD1 4.39Å; V106-L152 HydrophobicContact CG1-CD2 4.06Å; V106-L152 HydrophobicContact CG2-CD1 4.48Å; L122-L152 HydrophobicContact CD2-CB 4.27Å; L122-L152 HydrophobicContact CD2-CD1 3.73Å; L125-L152 HydrophobicContact CD1-CD1 4.46Å; V138-L152 HydrophobicContact CG1-CD2 3.61Å; V138-L152 HydrophobicContact CG2-CD2 4.2Å; T148-L152 PolarHBondContact O-N 2.95Å; I149-L152 HydrophobicContact CD1-CD2 4.37Å; I149-L152 PolarHBondContact O-N 3.02Å; L152-S154 PolarHBondContact O-N 3.13Å; L152-H155 WeakPolarHBondContact O-CB 3.2Å; L152-H155 PolarHBondContact O-N 3.4Å; L152-L156 HydrophobicContact CD1-CD1 4.14Å; L152-L156 HydrophobicContact CD1-CG 4.17Å; L152-L156 HydrophobicContact CG-CD1 4.1Å; L152-L156 WeakPolarHBondContact O-CG 3.43Å; L152-L156 PolarHBondContact O-N 3.36Å
153I92.9Very high91.9Very high29 Ų2944.3 Ų44.315%0.14925%0.248CC..Hα-helixtrans-59.3-49.3176.2-68166.8000110.2I149 H155 L156 D157 V164 V166 Y180I149-I153 HydrophobicContact CD1-CD1 4.36Å; I149-I153 HydrophobicContact CD1-CG1 4.27Å; I149-I153 HydrophobicContact CG1-CD1 3.83Å; I149-I153 HydrophobicContact CG1-CG1 4.25Å; I149-I153 WeakPolarHBondContact O-CB 3.47Å; I149-I153 VanDerWaalsContact O-CG1 3.25Å; I149-I153 WeakPolarHBondContact O-CG1 3.28Å; I149-I153 PolarHBondContact O-N 3.24Å; I153-H155 PolarHBondContact O-N 2.89Å; I153-L156 PolarHBondContact O-N 2.96Å; I153-D157 WeakPolarHBondContact CG2-OD2 3.29Å; I153-D157 WeakPolarHBondContact O-CB 3.47Å; I153-D157 VanDerWaalsContact O-CG 3.31Å; I153-D157 PolarHBondContact O-N 3.22Å; I153-V164 HydrophobicContact CG1-CG1 4.15Å; I153-V166 HydrophobicContact CD1-CG2 3.95Å; I153-V166 HydrophobicContact CG1-CG2 4.32Å; I153-Y180 HydrophobicContact CD1-CD2 4.4Å; I153-Y180 HydrophobicContact CD1-CE2 3.46Å; I153-Y180 VanDerWaalsContact CD1-CE2 3.46Å; I153-Y180 WeakPolarHBondContact CD1-OH 3.3Å
154S91.6Very high92Very high71 Ų7145.5 Ų45.550%0.49726%0.256SS..Hα-helixtrans-57.6-37178.8-57.50000112.1T150 L152 S158T150-S154 WeakPolarHBondContact O-CB 3.37Å; T150-S154 PolarHBondContact O-N 2.81Å; T150-S154 PolarHBondContact O-OG 3.16Å; L152-S154 PolarHBondContact O-N 3.13Å; S154-S158 PolarHBondContact O-N 3.22Å
155H91.5Very high92.3Very high67 Ų6746.6 Ų46.631%0.3126%0.259SS..Hα-helixtrans-67.8-48.2174.4-176.279.2000111.7L122 L125 K151 L152 I153 D157 S158 L159L122-H155 HydrophobicContact CD1-CB 4.31Å; L125-H155 WeakPolarHBondContact CD1-CD2 3.28Å; L125-H155 WeakPolarHBondContact CD1-NE2 3.44Å; K151-H155 PolarHBondContact O-N 3.14Å; K151-H155 VanDerWaalsContact O-N 3.08Å; L152-H155 WeakPolarHBondContact O-CB 3.2Å; L152-H155 PolarHBondContact O-N 3.4Å; I153-H155 PolarHBondContact O-N 2.89Å; H155-D157 VanDerWaalsContact C-N 3.32Å; H155-D157 PolarHBondContact O-N 3.28Å; H155-S158 WeakPolarHBondContact O-CB 3.35Å; H155-S158 PolarHBondContact O-N 3.05Å; H155-S158 VanDerWaalsContact O-N 3.12Å; H155-S158 PolarHBondContact O-OG 2.82Å; H155-L159 WeakPolarHBondContact O-CG 3.12Å; H155-L159 PolarHBondContact O-N 2.73Å
156L92.9Very high92.7Very high0 Ų044 Ų440%024%0.244CC..Hα-helixtrans-62.5-36.2178.6-70.3171.6000113M71 Y131 V136 V138 L152 I153 S158 L159 T161 V164M71-L156 HydrophobicContact CE-CD2 3.92Å; M71-L156 HydrophobicContact SD-CD1 4.2Å; M71-L156 HydrophobicContact SD-CD2 4.12Å; Y131-L156 HydrophobicContact CD1-CD2 4.44Å; V136-L156 HydrophobicContact CG1-CD1 4.06Å; V138-L156 HydrophobicContact CG2-CD1 3.68Å; L152-L156 HydrophobicContact CD1-CD1 4.14Å; L152-L156 HydrophobicContact CD1-CG 4.17Å; L152-L156 HydrophobicContact CG-CD1 4.1Å; L152-L156 WeakPolarHBondContact O-CG 3.43Å; L152-L156 PolarHBondContact O-N 3.36Å; I153-L156 PolarHBondContact O-N 2.96Å; L156-S158 VanDerWaalsContact C-N 3.28Å; L156-S158 PolarHBondContact O-N 3.37Å; L156-L159 WeakPolarHBondContact O-CB 3.37Å; L156-L159 PolarHBondContact O-N 2.82Å; L156-L159 VanDerWaalsContact O-N 3.11Å; L156-T161 HydrophobicContact CB-CG2 4.37Å; L156-T161 WeakPolarHBondContact O-CG2 3.49Å; L156-T161 PolarHBondContact O-OG1 2.53Å; L156-V164 HydrophobicContact CB-CG2 3.85Å; L156-V164 HydrophobicContact CD1-CG1 3.96Å; L156-V164 HydrophobicContact CD1-CG2 4.39Å
157D91.7Very high93.2Very high93 Ų9343.8 Ų43.850%0.49724%0.241SC..Hα-helixtrans-63.7-37.2175.2-71.3-17.9000110.8I153 H155 L159 S160I153-D157 WeakPolarHBondContact CG2-OD2 3.29Å; I153-D157 WeakPolarHBondContact O-CB 3.47Å; I153-D157 VanDerWaalsContact O-CG 3.31Å; I153-D157 PolarHBondContact O-N 3.22Å; H155-D157 VanDerWaalsContact C-N 3.32Å; H155-D157 PolarHBondContact O-N 3.28Å; D157-L159 PolarHBondContact O-N 3.3Å; D157-S160 PolarHBondContact O-N 2.97Å
158S92.2Very high93.6Very high82 Ų8239.3 Ų39.357%0.57322%0.221SC*.Hα-helixtrans-65.2-18175.681.50000113.6S154 H155 L156 S160S154-S158 PolarHBondContact O-N 3.22Å; H155-S158 WeakPolarHBondContact O-CB 3.35Å; H155-S158 PolarHBondContact O-N 3.05Å; H155-S158 VanDerWaalsContact O-N 3.12Å; H155-S158 PolarHBondContact O-OG 2.82Å; L156-S158 VanDerWaalsContact C-N 3.28Å; L156-S158 PolarHBondContact O-N 3.37Å; S158-S160 VanDerWaalsContact C-N 3.31Å
159L92.3Very high94.1Very high21 Ų2138.9 Ų38.911%0.1122%0.218CC..THydrogen-bonded Turntrans-87.86178.7-53.1-171.6000113.6P128 Y131 H155 L156 D157 T161P128-L159 HydrophobicContact CB-CD2 3.85Å; P128-L159 HydrophobicContact CG-CD2 4.46Å; Y131-L159 HydrophobicContact CD2-CD1 3.64Å; Y131-L159 HydrophobicContact CG-CD1 3.94Å; H155-L159 WeakPolarHBondContact O-CG 3.12Å; H155-L159 PolarHBondContact O-N 2.73Å; L156-L159 WeakPolarHBondContact O-CB 3.37Å; L156-L159 PolarHBondContact O-N 2.82Å; L156-L159 VanDerWaalsContact O-N 3.11Å; D157-L159 PolarHBondContact O-N 3.3Å; L159-T161 VanDerWaalsContact C-N 3.28Å; L159-T161 PolarHBondContact O-N 2.99Å
160S91.8Very high94.4Very high73 Ų7338.9 Ų38.951%0.5122%0.218SC..THydrogen-bonded Turntrans56.342.3-175.2-52.50000112.6D133 D157 S158D133-S160 PolarHBondContact N-O 3.3Å; D157-S160 PolarHBondContact O-N 2.97Å; S158-S160 VanDerWaalsContact C-N 3.31Å
161T94.7Very high94.6Very high20 Ų2036.3 Ų36.312%0.12320%0.202CC..  trans-63.1146.4169.947.50000110.1Y131 V136 L156 L159 V164Y131-T161 VanDerWaalsContact O-CG2 3.3Å; Y131-T161 WeakPolarHBondContact O-CG2 3.49Å; V136-T161 HydrophobicContact CG2-CG2 3.93Å; L156-T161 HydrophobicContact CB-CG2 4.37Å; L156-T161 WeakPolarHBondContact O-CG2 3.49Å; L156-T161 PolarHBondContact O-OG1 2.53Å; L159-T161 VanDerWaalsContact C-N 3.28Å; L159-T161 PolarHBondContact O-N 2.99Å; T161-V164 VanDerWaalsContact OG1-CG2 3.31Å; T161-V164 WeakPolarHBondContact OG1-CG2 3.29Å
162K95.9Very high94.8Very high122 Ų12234 Ų3453%0.5319%0.192SC..SBendtrans-71.7-40.5-179.7175.4175.4179175.40111.7D133 K134D133-K162 VanDerWaalsContact C-CB 3.46Å; D133-K162 VanDerWaalsContact O-CB 3.31Å; D133-K162 WeakPolarHBondContact O-CB 3.3Å; K134-K162 WeakPolarHBondContact O-CB 3.15Å; K134-K162 PolarHBondContact O-N 3.34Å
163S96.5Very high94.9Very high29 Ų2936 Ų3620%0.20320%0.2CC..EExtended strand (participates in β ladder)trans-154.3146.8171.864.90000110.3K134 N135 V136K134-S163 PolarHBondContact O-N 2.85Å; N135-S163 WeakPolarHBondContact CB-OG 3.3Å; N135-S163 PolarHBondContact OD1-OG 3.3Å; V136-S163 PolarHBondContact N-O 3.49Å
164V96.7Very high94.7Very high27 Ų2736 Ų3616%0.16420%0.201CC..EExtended strand (participates in β ladder)trans-119.9124.6170-175.20000107.9V136 V138 I153 L156 T161V136-V164 WeakPolarHBondContact O-CA 3.31Å; V138-V164 HydrophobicContact CG2-CG1 4.15Å; I153-V164 HydrophobicContact CG1-CG1 4.15Å; L156-V164 HydrophobicContact CB-CG2 3.85Å; L156-V164 HydrophobicContact CD1-CG1 3.96Å; L156-V164 HydrophobicContact CD1-CG2 4.39Å; T161-V164 VanDerWaalsContact OG1-CG2 3.31Å; T161-V164 WeakPolarHBondContact OG1-CG2 3.29Å
165K97.4Very high94.4Very high46 Ų4638.5 Ų38.520%0.222%0.219CC..EExtended strand (participates in β ladder)trans-123.7154.5172.3-67.4-64.9177.5-165.20109.8Y59 V136 L137 V138 D183 F184Y59-K165 HydrophobicContact CE1-CG 4.18Å; Y59-K165 WeakPolarHBondContact OH-CE 3.38Å; V136-K165 PolarHBondContact O-N 3.47Å; L137-K165 CarbonylContact C-O 3.33Å; L137-K165 WeakPolarHBondContact CA-O 3.47Å; L137-K165 HydrophobicContact CD1-CB 3.8Å; V138-K165 PolarHBondContact N-O 3.06Å; K165-D183 WeakPolarHBondContact CA-OD2 3.42Å; K165-D183 HydrophobicContact CD-CB 3.92Å; K165-D183 WeakPolarHBondContact CD-OD1 3.48Å; K165-D183 WeakPolarHBondContact CD-OD2 3.41Å; K165-D183 WeakPolarHBondContact CE-OD1 3.42Å; K165-D183 IonicContact NZ-OD1 2.77Å; K165-D183 PolarHBondContact NZ-OD1 3.42Å; K165-F184 HydrophobicContact CB-CE2 4.3Å
166V97.3Very high94.1Very high1 Ų140.9 Ų40.91%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-124.3124.9179.3-175.60000110.6V138 I149 I153 Y180 P182 D183 F184V138-V166 HydrophobicContact CB-CG2 4.12Å; V138-V166 WeakPolarHBondContact O-CA 3.3Å; I149-V166 HydrophobicContact CD1-CG1 3.92Å; I149-V166 HydrophobicContact CD1-CG2 3.78Å; I149-V166 HydrophobicContact CG1-CG1 3.99Å; I149-V166 HydrophobicContact CG1-CG2 3.91Å; I153-V166 HydrophobicContact CD1-CG2 3.95Å; I153-V166 HydrophobicContact CG1-CG2 4.32Å; V166-Y180 VanDerWaalsContact CB-OH 3.24Å; V166-Y180 WeakPolarHBondContact CB-OH 3.44Å; V166-Y180 WeakPolarHBondContact CG2-OH 3.35Å; V166-P182 HydrophobicContact CB-CB 4.15Å; V166-P182 HydrophobicContact CG1-CB 3.98Å; V166-P182 HydrophobicContact CG1-CG 4.36Å; V166-D183 PolarHBondContact N-OD2 3.42Å; V166-D183 PolarHBondContact O-N 2.77Å; V166-F184 PolarHBondContact O-N 3.06Å
167A98.2Very high93.4Very high0 Ų048.2 Ų48.20%027%0.268CS..EExtended strand (participates in β ladder)trans-101.7122.316300000108.7M52 I56 F80 L84 L137 V138 V139 E140 F184M52-A167 HydrophobicContact CE-CB 4.44Å; I56-A167 HydrophobicContact CD1-CB 4.36Å; F80-A167 HydrophobicContact CE1-CB 4.48Å; F80-A167 HydrophobicContact CZ-CB 4.1Å; L84-A167 HydrophobicContact CD2-CB 4.46Å; L137-A167 HydrophobicContact CD1-CB 4.02Å; L137-A167 HydrophobicContact CG-CB 4.39Å; V138-A167 PolarHBondContact O-N 3.41Å; V139-A167 WeakPolarHBondContact CA-O 3.33Å; E140-A167 PolarHBondContact N-O 3.3Å; A167-F184 CarbonylContact C-O 3.59Å; A167-F184 VanDerWaalsContact CA-O 3.31Å; A167-F184 WeakPolarHBondContact CA-O 3.41Å; A167-F184 HydrophobicContact CB-CB 4.06Å; A167-F184 HydrophobicContact CB-CD2 4.44Å
168S97.6Very high92.6Very high0 Ų045.6 Ų45.60%025%0.254CS..EExtended strand (participates in β ladder)trans-120.6133.9171.9-168.90000111.2E140 L170 F184 V185 G186E140-S168 VanDerWaalsContact O-CA 3.25Å; E140-S168 WeakPolarHBondContact O-CA 3.46Å; E140-S168 PolarHBondContact O-OG 3.2Å; S168-L170 PolarHBondContact OG-O 3.14Å; S168-F184 PolarHBondContact N-O 2.82Å; S168-V185 WeakPolarHBondContact O-CA 3.49Å; S168-G186 PolarHBondContact O-N 3.26Å
169L98.5Very high92.1Very high3 Ų349.8 Ų49.82%0.01627%0.27CS..EExtended strand (participates in β ladder)trans-66.4-45.9175.9176.162.1000110.4I45 L49 F80 E140 D141 G186 F187 Y197 I211I45-L169 HydrophobicContact CG2-CD1 3.92Å; I45-L169 HydrophobicContact CG2-CD2 4.29Å; L49-L169 HydrophobicContact CD2-CD1 4.25Å; F80-L169 HydrophobicContact CB-CB 4.47Å; F80-L169 HydrophobicContact CB-CD2 4.38Å; F80-L169 HydrophobicContact CD1-CB 3.81Å; F80-L169 HydrophobicContact CD2-CB 4.21Å; F80-L169 HydrophobicContact CE1-CB 4.03Å; F80-L169 HydrophobicContact CE2-CB 4.45Å; F80-L169 HydrophobicContact CG-CB 3.9Å; F80-L169 HydrophobicContact CZ-CB 4.35Å; E140-L169 PolarHBondContact O-N 3.29Å; E140-L169 VanDerWaalsContact O-N 3.11Å; D141-L169 WeakPolarHBondContact O-CB 3.28Å; L169-G186 CarbonylContact O-C 3.51Å; L169-G186 VanDerWaalsContact O-CA 3.26Å; L169-G186 WeakPolarHBondContact O-CA 3.1Å; L169-G186 PolarHBondContact O-N 3.36Å; L169-F187 HydrophobicContact CD1-CD2 3.94Å; L169-F187 HydrophobicContact CD1-CE2 3.92Å; L169-F187 PolarHBondContact O-N 2.99Å; L169-Y197 HydrophobicContact CD2-CD1 3.58Å; L169-Y197 HydrophobicContact CD2-CE1 3.61Å; L169-I211 HydrophobicContact CD2-CD1 3.96Å
170L98.1Very high92Very high0 Ų051 Ų510%027%0.273CS..EExtended strand (participates in β ladder)trans-124.1141.6-177.5-55.4-175.1000112.2I40 D141 I142 I143 S168 F187 V189 V194 L199 I211I40-L170 HydrophobicContact CD1-CD2 3.6Å; D141-L170 PolarHBondContact O-N 3.49Å; D141-L170 VanDerWaalsContact O-N 3.09Å; I142-L170 CarbonylContact C-O 3.57Å; I142-L170 VanDerWaalsContact CA-O 3.3Å; I142-L170 WeakPolarHBondContact CA-O 3.28Å; I142-L170 HydrophobicContact CB-CB 4.03Å; I142-L170 HydrophobicContact CD1-CB 4.04Å; I142-L170 HydrophobicContact CD1-CD1 3.92Å; I142-L170 HydrophobicContact CG1-CB 3.74Å; I142-L170 HydrophobicContact CG1-CD1 4.43Å; I143-L170 PolarHBondContact N-O 2.87Å; S168-L170 PolarHBondContact OG-O 3.14Å; L170-F187 CarbonylContact C-O 3.57Å; L170-F187 WeakPolarHBondContact CA-O 3.16Å; L170-F187 HydrophobicContact CD2-CB 3.87Å; L170-F187 HydrophobicContact CD2-CD2 4.05Å; L170-F187 HydrophobicContact CD2-CG 4.3Å; L170-V189 HydrophobicContact CB-CG2 4.48Å; L170-V189 HydrophobicContact CD2-CG1 4.02Å; L170-V194 HydrophobicContact CD1-CG2 3.96Å; L170-L199 HydrophobicContact CD1-CD1 3.65Å; L170-I211 HydrophobicContact CD1-CD1 4.15Å; L170-I211 HydrophobicContact CD1-CG2 4.27Å; L170-I211 HydrophobicContact CD2-CD1 4.11Å; L170-I211 HydrophobicContact CG-CD1 4.41Å
171V96.1Very high91.9Very high14 Ų1453 Ų539%0.08527%0.27CS..EExtended strand (participates in β ladder)trans-124.3122.1166.4175.30000108.3I143 P182 V185 F187 E188 V189I143-V171 HydrophobicContact CB-CG2 4.17Å; I143-V171 HydrophobicContact CG1-CG2 4.37Å; V171-P182 HydrophobicContact CG2-CG 3.96Å; V171-V185 HydrophobicContact CB-CG1 4.17Å; V171-V185 HydrophobicContact CG2-CB 4.38Å; V171-V185 HydrophobicContact CG2-CG1 3.58Å; V171-V185 HydrophobicContact CG2-CG2 3.84Å; V171-F187 PolarHBondContact N-O 2.87Å; V171-E188 CarbonylContact O-C 3.59Å; V171-E188 WeakPolarHBondContact O-CA 3.36Å; V171-V189 PolarHBondContact O-N 3.19Å
172K95.4Very high91.9Very high15 Ų1552.4 Ų52.47%0.06527%0.266CS..EExtended strand (participates in β ladder)trans-77.3138.1174.9-73.2-174.2-176.5173.40111.4I142 I143 D144 T174 V189 R192I142-K172 HydrophobicContact CD1-CD 4.26Å; I142-K172 HydrophobicContact CD1-CG 3.93Å; I142-K172 HydrophobicContact CG1-CG 4.36Å; I143-K172 PolarHBondContact O-N 3.29Å; D144-K172 HydrophobicContact CB-CD 4.14Å; D144-K172 WeakPolarHBondContact OD2-CD 3.47Å; D144-K172 IonicContact OD2-NZ 3.68Å; D144-K172 PolarHBondContact OD2-NZ 2.69Å; K172-T174 HydrophobicContact CB-CG2 4.33Å; K172-T174 PolarHBondContact O-N 3.33Å; K172-V189 WeakPolarHBondContact CA-O 3.31Å; K172-V189 HydrophobicContact CG-CG2 4.03Å; K172-R192 VanDerWaalsContact CE-O 3.28Å; K172-R192 WeakPolarHBondContact CE-O 3.36Å
173R93.3Very high92Very high44 Ų4448.9 Ų48.917%0.16625%0.253CS..  trans-79.193164.4-72.7-168.8-59.4-146.9-9.8110.6I13 E14 D15 E188 V189 N191I13-R173 PolarHBondContact O-NH2 2.91Å; E14-R173 VanDerWaalsContact C-NH2 3.34Å; E14-R173 IonicContact OE2-CZ 2.74Å; E14-R173 IonicContact OE2-NH1 3.71Å; E14-R173 PolarHBondContact OE2-NH1 3.12Å; E14-R173 IonicContact OE2-NH2 3.8Å; D15-R173 VanDerWaalsContact CG-NH2 3.27Å; D15-R173 IonicContact OD1-CZ 3.82Å; D15-R173 IonicContact OD1-NE 3.05Å; D15-R173 IonicContact OD1-NH2 3.59Å; D15-R173 PolarHBondContact OD1-NH2 2.62Å; D15-R173 IonicContact OD2-NH2 3.48Å; R173-E188 WeakPolarHBondContact CD-OE1 3.44Å; R173-E188 HydrophobicContact CG-CG 3.61Å; R173-E188 WeakPolarHBondContact CG-OE1 3.49Å; R173-V189 PolarHBondContact N-O 3.03Å; R173-N191 WeakPolarHBondContact O-CB 3.3Å
174T88.5Confident92Very high28 Ų2848 Ų4817%0.17225%0.245CC..  trans-85.5161.5172.8610000111.8K172 P176 R177 N178K172-T174 HydrophobicContact CB-CG2 4.33Å; K172-T174 PolarHBondContact O-N 3.33Å; T174-P176 CarbonylContact C-O 3.53Å; T174-P176 WeakPolarHBondContact CB-O 3.49Å; T174-P176 CarbonylContact O-C 3.53Å; T174-P176 PolarHBondContact OG1-O 3.26Å; T174-R177 WeakPolarHBondContact O-CA 3.41Å; T174-R177 PolarHBondContact O-N 3.47Å; T174-N178 PolarHBondContact OG1-N 3.39Å
175S86.2Confident92.1Very high124 Ų12447.2 Ų47.287%0.86724%0.241SC*.SBendtrans-128112.8169.7-172.10000109.3
176P84.9Confident92.1Very high116 Ų11645 Ų4575%0.75323%0.231SC*.SBendcis-63.7157.1-2.129.2-34.8000112.4T174T174-P176 CarbonylContact C-O 3.53Å; T174-P176 WeakPolarHBondContact CB-O 3.49Å; T174-P176 CarbonylContact O-C 3.53Å; T174-P176 PolarHBondContact OG1-O 3.26Å
177R77.8Confident92.2Very high154 Ų15445 Ų4558%0.58123%0.231SC*.PPolyproline II helixtrans-64.3138.7178.4-138.1177.8-168.7179.92.9108.9T174 E188T174-R177 WeakPolarHBondContact O-CA 3.41Å; T174-R177 PolarHBondContact O-N 3.47Å; R177-E188 IonicContact CZ-OE1 2.72Å; R177-E188 IonicContact NH2-OE1 3.77Å; R177-E188 PolarHBondContact NH2-OE1 2.94Å; R177-E188 IonicContact NH2-OE2 2.79Å
178N75.8Confident92.1Very high39 Ų3945.4 Ų45.421%0.20923%0.233CC..PPolyproline II helixtrans-61.1137.5172.3-179.82.5000110.3I143 D144 T145 G146 T174 Y180I143-N178 VanDerWaalsContact CG2-ND2 3.27Å; I143-N178 WeakPolarHBondContact CG2-ND2 3.15Å; D144-N178 PolarHBondContact O-ND2 3.23Å; T145-N178 VanDerWaalsContact C-ND2 3.29Å; G146-N178 WeakPolarHBondContact CA-ND2 3.46Å; G146-N178 PolarHBondContact N-ND2 2.96Å; T174-N178 PolarHBondContact OG1-N 3.39Å; N178-Y180 PolarHBondContact O-N 3.22Å; N178-Y180 PolarHBondContact OD1-N 2.71Å
179D81.5Confident92.1Very high169 Ų16945.4 Ų45.490%0.90423%0.233SC*.SBendtrans-73.6-16.7-180-64.9-30.9000112.6
180Y89.6Confident92Very high46 Ų4645.7 Ų45.718%0.1824%0.235CC..  trans-96.2125.5178.3-174.1-95.1000112.4I149 I153 V166 N178 P182I149-Y180 HydrophobicContact CB-CE1 4.31Å; I149-Y180 HydrophobicContact CG1-CD1 4.49Å; I149-Y180 HydrophobicContact CG1-CE1 3.81Å; I149-Y180 HydrophobicContact CG2-CD1 3.32Å; I149-Y180 HydrophobicContact CG2-CE1 3.51Å; I149-Y180 HydrophobicContact CG2-CG 3.89Å; I153-Y180 HydrophobicContact CD1-CD2 4.4Å; I153-Y180 HydrophobicContact CD1-CE2 3.46Å; I153-Y180 VanDerWaalsContact CD1-CE2 3.46Å; I153-Y180 WeakPolarHBondContact CD1-OH 3.3Å; V166-Y180 VanDerWaalsContact CB-OH 3.24Å; V166-Y180 WeakPolarHBondContact CB-OH 3.44Å; V166-Y180 WeakPolarHBondContact CG2-OH 3.35Å; N178-Y180 PolarHBondContact O-N 3.22Å; N178-Y180 PolarHBondContact OD1-N 2.71Å; Y180-P182 HydrophobicContact CE1-CB 4.47Å; Y180-P182 HydrophobicContact CE1-CG 4.01Å
181R90.7Very high91.9Very high116 Ų11650 Ų5044%0.43826%0.258SS..  trans-120.6124171.2-169.9173-179.1109.2-1.6109.6E188R181-E188 IonicContact CZ-OE2 2.62Å; R181-E188 IonicContact NH1-OE2 3.22Å; R181-E188 PolarHBondContact NH1-OE2 2.83Å; R181-E188 IonicContact NH2-OE2 3.33Å
182P95.2Very high91.9Very high8 Ų856.3 Ų56.35%0.05228%0.281CS..  trans-59.9157.3174.4-23.333000113.1I143 V166 V171 Y180 V185I143-P182 HydrophobicContact CD1-CG 4.41Å; I143-P182 HydrophobicContact CG1-CG 3.51Å; V166-P182 HydrophobicContact CB-CB 4.15Å; V166-P182 HydrophobicContact CG1-CB 3.98Å; V166-P182 HydrophobicContact CG1-CG 4.36Å; V171-P182 HydrophobicContact CG2-CG 3.96Å; Y180-P182 HydrophobicContact CE1-CB 4.47Å; Y180-P182 HydrophobicContact CE1-CG 4.01Å; P182-V185 HydrophobicContact CB-CG2 3.79Å; P182-V185 HydrophobicContact CG-CG2 4.04Å
183D96.4Very high91.9Very high48 Ų4857.5 Ų57.526%0.25729%0.286SS..SBendtrans-70.6-37.3176.3-56.3-93.7000112.2K165 V166K165-D183 WeakPolarHBondContact CA-OD2 3.42Å; K165-D183 HydrophobicContact CD-CB 3.92Å; K165-D183 WeakPolarHBondContact CD-OD1 3.48Å; K165-D183 WeakPolarHBondContact CD-OD2 3.41Å; K165-D183 WeakPolarHBondContact CE-OD1 3.42Å; K165-D183 IonicContact NZ-OD1 2.77Å; K165-D183 PolarHBondContact NZ-OD1 3.42Å; V166-D183 PolarHBondContact N-OD2 3.42Å; V166-D183 PolarHBondContact O-N 2.77Å
184F97.6Very high92.1Very high9 Ų955.7 Ų55.74%0.03928%0.28CS..EExtended strand (participates in β ladder)trans-124.6121.5177.3-50.6-82000109.5M52 D55 I56 Y59 L137 K165 V166 A167 S168M52-F184 HydrophobicContact CE-CB 4.08Å; D55-F184 HydrophobicContact CB-CD1 4.37Å; D55-F184 HydrophobicContact CB-CE1 4.46Å; I56-F184 HydrophobicContact CB-CE1 4.42Å; I56-F184 HydrophobicContact CB-CZ 4.46Å; I56-F184 HydrophobicContact CD1-CB 4.41Å; I56-F184 HydrophobicContact CD1-CD2 4.38Å; I56-F184 HydrophobicContact CD1-CG 4.2Å; I56-F184 HydrophobicContact CG1-CB 4.32Å; I56-F184 HydrophobicContact CG1-CD1 3.6Å; I56-F184 HydrophobicContact CG1-CD2 3.78Å; I56-F184 HydrophobicContact CG1-CE1 3.73Å; I56-F184 HydrophobicContact CG1-CE2 3.91Å; I56-F184 HydrophobicContact CG1-CG 3.62Å; I56-F184 HydrophobicContact CG1-CZ 3.88Å; Y59-F184 HydrophobicContact CD1-CZ 4.11Å; Y59-F184 AromaticContact CG-CZ 3.94Å; Y59-F184 HydrophobicContact CG-CZ 3.94Å; L137-F184 HydrophobicContact CD1-CD2 3.99Å; L137-F184 HydrophobicContact CD1-CE2 4.07Å; K165-F184 HydrophobicContact CB-CE2 4.3Å; V166-F184 PolarHBondContact O-N 3.06Å; A167-F184 CarbonylContact C-O 3.59Å; A167-F184 VanDerWaalsContact CA-O 3.31Å; A167-F184 WeakPolarHBondContact CA-O 3.41Å; A167-F184 HydrophobicContact CB-CB 4.06Å; A167-F184 HydrophobicContact CB-CD2 4.44Å; S168-F184 PolarHBondContact N-O 2.82Å
185V97.6Very high92.6Very high11 Ų1154.4 Ų54.47%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-124.7126.5-175.8179.10000110.1C10 R48 S168 V171 P182C10-V185 HydrophobicContact CB-CB 3.7Å; C10-V185 HydrophobicContact CB-CG1 3.58Å; C10-V185 WeakPolarHBondContact CB-O 3.26Å; R48-V185 PolarHBondContact NH2-O 2.82Å; S168-V185 WeakPolarHBondContact O-CA 3.49Å; V171-V185 HydrophobicContact CB-CG1 4.17Å; V171-V185 HydrophobicContact CG2-CB 4.38Å; V171-V185 HydrophobicContact CG2-CG1 3.58Å; V171-V185 HydrophobicContact CG2-CG2 3.84Å; P182-V185 HydrophobicContact CB-CG2 3.79Å; P182-V185 HydrophobicContact CG-CG2 4.04Å
186G98.4Very high93.2Very high0 Ų048.5 Ų48.50%023%0.23CC..EExtended strand (participates in β ladder)trans-68.2-67172.900000111.1V11 R48 M52 S168 L169V11-G186 PolarHBondContact N-O 3.2Å; V11-G186 VanDerWaalsContact N-O 3.08Å; R48-G186 PolarHBondContact NE-O 2.87Å; M52-G186 WeakPolarHBondContact SD-CA 3.4Å; S168-G186 PolarHBondContact O-N 3.26Å; L169-G186 CarbonylContact O-C 3.51Å; L169-G186 VanDerWaalsContact O-CA 3.26Å; L169-G186 WeakPolarHBondContact O-CA 3.1Å; L169-G186 PolarHBondContact O-N 3.36Å
187F98.3Very high93.8Very high0 Ų043.2 Ų43.20%020%0.195CC..EExtended strand (participates in β ladder)trans-134.7138.6-174.1-54.6-96.3000111.8V11 I13 I40 M44 R48 L169 L170 V171 V189V11-F187 HydrophobicContact CB-CD1 3.53Å; V11-F187 HydrophobicContact CB-CE1 3.86Å; V11-F187 HydrophobicContact CB-CG 4.39Å; V11-F187 HydrophobicContact CG1-CD1 3.7Å; V11-F187 HydrophobicContact CG1-CE1 3.95Å; V11-F187 HydrophobicContact CG2-CD1 4.31Å; V11-F187 HydrophobicContact CG2-CE1 4.17Å; V11-F187 CarbonylContact O-C 3.58Å; V11-F187 WeakPolarHBondContact O-CA 3.48Å; I13-F187 HydrophobicContact CD1-CD1 4.35Å; I40-F187 HydrophobicContact CD1-CB 3.97Å; I40-F187 HydrophobicContact CD1-CD1 3.91Å; I40-F187 HydrophobicContact CD1-CD2 3.93Å; I40-F187 HydrophobicContact CD1-CE1 4.41Å; I40-F187 HydrophobicContact CD1-CE2 4.43Å; I40-F187 HydrophobicContact CD1-CG 3.66Å; I40-F187 HydrophobicContact CG2-CD1 4.5Å; I40-F187 HydrophobicContact CG2-CE1 3.99Å; I40-F187 HydrophobicContact CG2-CE2 4.28Å; I40-F187 HydrophobicContact CG2-CZ 3.87Å; M44-F187 HydrophobicContact CE-CE1 4.15Å; M44-F187 HydrophobicContact CG-CE1 4.26Å; M44-F187 HydrophobicContact CG-CZ 4.33Å; M44-F187 HydrophobicContact SD-CE1 4.29Å; R48-F187 HydrophobicContact CB-CE1 4.34Å; R48-F187 HydrophobicContact CB-CE2 3.76Å; R48-F187 HydrophobicContact CB-CZ 3.45Å; R48-F187 VanDerWaalsContact CB-CZ 3.45Å; R48-F187 HydrophobicContact CG-CD2 4.38Å; R48-F187 HydrophobicContact CG-CE1 4.42Å; R48-F187 HydrophobicContact CG-CE2 3.71Å; R48-F187 HydrophobicContact CG-CZ 3.73Å; L169-F187 HydrophobicContact CD1-CD2 3.94Å; L169-F187 HydrophobicContact CD1-CE2 3.92Å; L169-F187 PolarHBondContact O-N 2.99Å; L170-F187 CarbonylContact C-O 3.57Å; L170-F187 WeakPolarHBondContact CA-O 3.16Å; L170-F187 HydrophobicContact CD2-CB 3.87Å; L170-F187 HydrophobicContact CD2-CD2 4.05Å; L170-F187 HydrophobicContact CD2-CG 4.3Å; V171-F187 PolarHBondContact N-O 2.87Å; F187-V189 HydrophobicContact CB-CG1 4.05Å
188E96.9Very high94.8Very high9 Ų935.9 Ų35.94%0.04217%0.168CC..EExtended strand (participates in β ladder)trans-96.5118.8164.4-175169.7143.300107.9V11 V12 I13 V171 R173 R177 R181V11-E188 PolarHBondContact O-N 2.86Å; V12-E188 HydrophobicContact CG2-CB 4.29Å; I13-E188 PolarHBondContact N-O 3.39Å; V171-E188 CarbonylContact O-C 3.59Å; V171-E188 WeakPolarHBondContact O-CA 3.36Å; R173-E188 WeakPolarHBondContact CD-OE1 3.44Å; R173-E188 HydrophobicContact CG-CG 3.61Å; R173-E188 WeakPolarHBondContact CG-OE1 3.49Å; R177-E188 IonicContact CZ-OE1 2.72Å; R177-E188 IonicContact NH2-OE1 3.77Å; R177-E188 PolarHBondContact NH2-OE1 2.94Å; R177-E188 IonicContact NH2-OE2 2.79Å; R181-E188 IonicContact CZ-OE2 2.62Å; R181-E188 IonicContact NH1-OE2 3.22Å; R181-E188 PolarHBondContact NH1-OE2 2.83Å; R181-E188 IonicContact NH2-OE2 3.33Å
189V97.3Very high95.9Very high0 Ų034.3 Ų34.30%016%0.159CC..EExtended strand (participates in β ladder)trans-117.7154.4-169.8-59.80000112.9I13 L39 I40 L170 V171 K172 R173 F187I13-V189 HydrophobicContact CD1-CG1 4.18Å; L39-V189 HydrophobicContact CD2-CB 4.25Å; L39-V189 HydrophobicContact CD2-CG1 4.15Å; I40-V189 HydrophobicContact CD1-CG1 4.11Å; L170-V189 HydrophobicContact CB-CG2 4.48Å; L170-V189 HydrophobicContact CD2-CG1 4.02Å; V171-V189 PolarHBondContact O-N 3.19Å; K172-V189 WeakPolarHBondContact CA-O 3.31Å; K172-V189 HydrophobicContact CG-CG2 4.03Å; R173-V189 PolarHBondContact N-O 3.03Å; F187-V189 HydrophobicContact CB-CG1 4.05Å
190P96.7Very high96.6Very high10 Ų1028.4 Ų28.47%0.06513%0.128CC..  trans-58.2158.3172.5-25.436.4000112.8I13 D15 R192I13-P190 HydrophobicContact CG2-CG 4.45Å; I13-P190 WeakPolarHBondContact O-CD 3.32Å; D15-P190 VanDerWaalsContact OD1-CB 3.31Å; D15-P190 WeakPolarHBondContact OD1-CB 3.49Å; P190-R192 HydrophobicContact CB-CG 4.33Å; P190-R192 PolarHBondContact O-N 3.1Å
191N95.6Very high97Very high89 Ų8926.6 Ų26.648%0.47612%0.121SC..SBendtrans-74.672.8176.3-164.615.1000112.2R173R173-N191 WeakPolarHBondContact O-CB 3.3Å
192R95.6Very high97.2Very high148 Ų14822.6 Ų22.656%0.55811%0.108SC*.SBendtrans-122.4153.3174-59.9-64.6-174.8-179.60.7109.2K172 P190 V194 V213K172-R192 VanDerWaalsContact CE-O 3.28Å; K172-R192 WeakPolarHBondContact CE-O 3.36Å; P190-R192 HydrophobicContact CB-CG 4.33Å; P190-R192 PolarHBondContact O-N 3.1Å; R192-V194 PolarHBondContact O-N 3.39Å; R192-V213 HydrophobicContact CB-CG1 4.31Å; R192-V213 HydrophobicContact CB-CG2 4.09Å
193F96Very high97.2Very high39 Ų3926.6 Ų26.617%0.17113%0.129CC..  trans-77.9115.9173-157.9-79.4000109.3D114 V195 D200 Y201 I214D114-F193 HydrophobicContact CB-CD2 3.69Å; D114-F193 HydrophobicContact CB-CE2 3.91Å; D114-F193 HydrophobicContact CB-CG 4.48Å; F193-V195 HydrophobicContact CD1-CG1 4.11Å; F193-V195 HydrophobicContact CE1-CG1 3.96Å; F193-D200 WeakPolarHBondContact CE1-O 3.27Å; F193-Y201 HydrophobicContact CD1-CD2 4.26Å; F193-Y201 AromaticContact CE1-CD2 3.71Å; F193-Y201 HydrophobicContact CE1-CD2 3.71Å; F193-Y201 HydrophobicContact CE1-CG 4.23Å; F193-Y201 AromaticContact CZ-CD2 3.9Å; F193-Y201 HydrophobicContact CZ-CD2 3.9Å; F193-I214 HydrophobicContact CB-CG2 4.16Å; F193-I214 HydrophobicContact CD1-CG2 3.83Å; F193-I214 HydrophobicContact CG-CG2 4.39Å; F193-I214 PolarHBondContact O-N 3.49Å
194V98.2Very high97.2Very high7 Ų726.3 Ų26.34%0.04213%0.127CC..EExtended strand (participates in β ladder)trans-110.1146.2-175.5-69.70000110.8L39 I142 L170 R192 L199 I211 C212 V213L39-V194 HydrophobicContact CD2-CG1 3.68Å; I142-V194 HydrophobicContact CD1-CG2 3.66Å; L170-V194 HydrophobicContact CD1-CG2 3.96Å; R192-V194 PolarHBondContact O-N 3.39Å; V194-L199 HydrophobicContact CG2-CD1 4.02Å; V194-I211 HydrophobicContact CB-CG2 3.94Å; V194-I211 HydrophobicContact CG1-CG2 4.26Å; V194-C212 CarbonylContact C-O 3.6Å; V194-C212 VanDerWaalsContact CA-O 3.26Å; V194-C212 WeakPolarHBondContact CA-O 3.2Å; V194-V213 HydrophobicContact CG1-CG2 4.17Å
195V98.5Very high97.2Very high0 Ų026 Ų260%013%0.126CC..EExtended strand (participates in β ladder)trans-137.6164.5-179.2-65.50000110.6L35 F193 F205 L208 I211 C212 I214L35-V195 HydrophobicContact CD2-CG2 3.93Å; F193-V195 HydrophobicContact CD1-CG1 4.11Å; F193-V195 HydrophobicContact CE1-CG1 3.96Å; V195-F205 HydrophobicContact CB-CB 3.62Å; V195-F205 HydrophobicContact CB-CD2 4.44Å; V195-F205 HydrophobicContact CB-CG 3.99Å; V195-F205 HydrophobicContact CG1-CB 4.2Å; V195-F205 HydrophobicContact CG1-CD2 4.21Å; V195-F205 HydrophobicContact CG1-CG 4.27Å; V195-F205 HydrophobicContact CG2-CB 3.97Å; V195-F205 HydrophobicContact CG2-CD1 3.99Å; V195-F205 HydrophobicContact CG2-CG 3.95Å; V195-L208 HydrophobicContact CG2-CD2 4.47Å; V195-I211 CarbonylContact O-C 3.51Å; V195-I211 WeakPolarHBondContact O-CA 3.31Å; V195-C212 PolarHBondContact N-O 3.33Å; V195-C212 PolarHBondContact O-N 3.08Å; V195-I214 HydrophobicContact CG1-CB 4.33Å; V195-I214 HydrophobicContact CG2-CB 4.24Å
196G98.5Very high97.2Very high0 Ų027.3 Ų27.30%013%0.13CC..BIsolated β-bridgetrans91.5165.7179.400000113.8A198 L199 F205 H210G196-A198 VanDerWaalsContact C-N 3.29Å; G196-A198 PolarHBondContact O-N 3.19Å; G196-L199 PolarHBondContact N-O 3.03Å; G196-L199 WeakPolarHBondContact O-CB 3.36Å; G196-L199 WeakPolarHBondContact O-CD1 3.27Å; G196-L199 WeakPolarHBondContact O-CG 3.39Å; G196-L199 PolarHBondContact O-N 3.06Å; G196-L199 VanDerWaalsContact O-N 3.1Å; G196-F205 VanDerWaalsContact CA-O 3.31Å; G196-F205 WeakPolarHBondContact CA-O 3.39Å; G196-H210 WeakPolarHBondContact CA-O 3.38Å
197Y98.6Very high97.2Very high5 Ų530.5 Ų30.52%0.0215%0.147CC..THydrogen-bonded Turntrans50.252.3-167.9-165.8-101.6000111.4N42 I45 K79 F80 D83 L169 L199 L208N42-Y197 WeakPolarHBondContact ND2-CD2 3.44Å; I45-Y197 HydrophobicContact CD1-CD1 4.1Å; I45-Y197 HydrophobicContact CD1-CD2 4.03Å; I45-Y197 HydrophobicContact CD1-CE2 4.46Å; I45-Y197 HydrophobicContact CD1-CG 3.83Å; I45-Y197 HydrophobicContact CG2-CD1 4.41Å; I45-Y197 HydrophobicContact CG2-CE1 3.83Å; I45-Y197 HydrophobicContact CG2-CE2 4.28Å; K79-Y197 HydrophobicContact CB-CD1 4.29Å; K79-Y197 HydrophobicContact CB-CD2 4.31Å; K79-Y197 HydrophobicContact CB-CE1 4.05Å; K79-Y197 HydrophobicContact CB-CE2 4.07Å; K79-Y197 HydrophobicContact CB-CG 4.42Å; K79-Y197 HydrophobicContact CD-CD2 4.15Å; K79-Y197 HydrophobicContact CD-CG 4.46Å; K79-Y197 PolarHBondContact O-OH 2.81Å; F80-Y197 HydrophobicContact CB-CE1 4.12Å; D83-Y197 WeakPolarHBondContact CB-OH 3.45Å; D83-Y197 WeakPolarHBondContact OD2-CE2 3.42Å; D83-Y197 PolarHBondContact OD2-OH 3.49Å; L169-Y197 HydrophobicContact CD2-CD1 3.58Å; L169-Y197 HydrophobicContact CD2-CE1 3.61Å; Y197-L199 PolarHBondContact O-N 2.99Å; Y197-L208 PolarHBondContact N-O 2.87Å
198A98.1Very high97.2Very high0 Ų030.5 Ų30.50%015%0.147CC..THydrogen-bonded Turntrans72.6-13.9-176.400000117G76 F78 K79 G196 R206G76-A198 WeakPolarHBondContact CA-O 3.21Å; G76-A198 WeakPolarHBondContact O-CB 3.27Å; F78-A198 HydrophobicContact CD1-CB 3.47Å; F78-A198 VanDerWaalsContact CD1-CB 3.47Å; F78-A198 HydrophobicContact CE1-CB 3.3Å; F78-A198 HydrophobicContact CG-CB 4.48Å; F78-A198 HydrophobicContact CZ-CB 4.19Å; K79-A198 HydrophobicContact CB-CB 3.93Å; K79-A198 HydrophobicContact CD-CB 3.99Å; K79-A198 HydrophobicContact CG-CB 3.89Å; G196-A198 VanDerWaalsContact C-N 3.29Å; G196-A198 PolarHBondContact O-N 3.19Å; A198-R206 WeakPolarHBondContact CA-O 3.45Å; A198-R206 PolarHBondContact N-O 2.81Å; A198-R206 WeakPolarHBondContact O-CG 3.47Å; A198-R206 PolarHBondContact O-NH1 3.02Å
199L97.9Very high97.2Very high6 Ų635.7 Ų35.73%0.03117%0.171CC..BIsolated β-bridgetrans-63.2146.4165.5-59.3162.3000110D141 I142 L170 V194 G196 Y197 I211D141-L199 HydrophobicContact CB-CD2 3.75Å; D141-L199 VanDerWaalsContact OD2-CD2 3.31Å; D141-L199 WeakPolarHBondContact OD2-CD2 3.4Å; I142-L199 HydrophobicContact CB-CD2 4.07Å; I142-L199 HydrophobicContact CG2-CD2 3.75Å; L170-L199 HydrophobicContact CD1-CD1 3.65Å; V194-L199 HydrophobicContact CG2-CD1 4.02Å; G196-L199 PolarHBondContact N-O 3.03Å; G196-L199 WeakPolarHBondContact O-CB 3.36Å; G196-L199 WeakPolarHBondContact O-CD1 3.27Å; G196-L199 WeakPolarHBondContact O-CG 3.39Å; G196-L199 PolarHBondContact O-N 3.06Å; G196-L199 VanDerWaalsContact O-N 3.1Å; Y197-L199 PolarHBondContact O-N 2.99Å; L199-I211 HydrophobicContact CD1-CD1 4.26Å; L199-I211 HydrophobicContact CD1-CG1 4.11Å; L199-I211 HydrophobicContact CD1-CG2 4.1Å
200D97.3Very high97.2Very high45 Ų4536.6 Ų36.624%0.24118%0.175CC..  trans-132.8161.9-174.478.2-78.3000115.4F193 N202 D203 N204 R206F193-D200 WeakPolarHBondContact CE1-O 3.27Å; D200-N202 PolarHBondContact OD2-N 3.08Å; D200-D203 WeakPolarHBondContact OD2-CA 3.45Å; D200-D203 PolarHBondContact OD2-N 3.09Å; D200-N204 WeakPolarHBondContact CA-O 3.4Å; D200-N204 WeakPolarHBondContact CB-O 3.46Å; D200-R206 HydrophobicContact CB-CG 3.74Å; D200-R206 VanDerWaalsContact CB-CZ 3.42Å; D200-R206 IonicContact OD1-CZ 3.76Å; D200-R206 IonicContact OD1-NH1 2.73Å; D200-R206 PolarHBondContact OD1-NH1 3.41Å; D200-R206 IonicContact OD1-NH2 3.53Å; D200-R206 PolarHBondContact OD1-NH2 3.3Å; D200-R206 IonicContact OD2-CZ 2.85Å; D200-R206 IonicContact OD2-NH2 2.63Å; D200-R206 PolarHBondContact OD2-NH2 3.48Å
201Y96.8Very high97.3Very high9 Ų936.1 Ų36.14%0.03517%0.172CC..BIsolated β-bridgetrans-124.6111.2158178.9-104.5000107.9N113 D114 F193 D203 N204 I214 Q219 F222N113-Y201 HydrophobicContact CB-CE2 4.27Å; D114-Y201 HydrophobicContact CB-CE2 4.46Å; F193-Y201 HydrophobicContact CD1-CD2 4.26Å; F193-Y201 AromaticContact CE1-CD2 3.71Å; F193-Y201 HydrophobicContact CE1-CD2 3.71Å; F193-Y201 HydrophobicContact CE1-CG 4.23Å; F193-Y201 AromaticContact CZ-CD2 3.9Å; F193-Y201 HydrophobicContact CZ-CD2 3.9Å; Y201-D203 PolarHBondContact O-N 2.82Å; Y201-N204 PolarHBondContact N-O 2.96Å; Y201-N204 VanDerWaalsContact N-O 3.08Å; Y201-N204 WeakPolarHBondContact O-CB 3.26Å; Y201-N204 PolarHBondContact O-N 3.27Å; Y201-I214 HydrophobicContact CD1-CD1 3.84Å; Y201-I214 HydrophobicContact CE1-CD1 4.43Å; Y201-I214 HydrophobicContact CG-CD1 3.99Å; Y201-Q219 VanDerWaalsContact CE1-O 3.26Å; Y201-Q219 WeakPolarHBondContact CE1-O 3.47Å; Y201-Q219 PolarHBondContact OH-O 2.9Å; Y201-F222 HydrophobicContact CD1-CB 3.64Å; Y201-F222 VanDerWaalsContact CE1-C 3.5Å; Y201-F222 HydrophobicContact CE1-CB 3.76Å; Y201-F222 WeakPolarHBondContact CE1-O 3.49Å
202N95.2Very high97.5Very high31 Ų3131.9 Ų31.917%0.16615%0.149CC..THydrogen-bonded Turntrans48.455-175.8-64.4-37.3000113.3N113 D200 N204 F222 V224N113-N202 WeakPolarHBondContact CA-OD1 3.44Å; N113-N202 PolarHBondContact N-OD1 2.73Å; N113-N202 PolarHBondContact OD1-ND2 2.75Å; D200-N202 PolarHBondContact OD2-N 3.08Å; N202-N204 PolarHBondContact O-N 3.28Å; N202-N204 PolarHBondContact O-ND2 2.89Å; N202-F222 WeakPolarHBondContact CB-O 3.45Å; N202-F222 PolarHBondContact ND2-O 3.35Å; N202-V224 HydrophobicContact CB-CG1 4.16Å; N202-V224 PolarHBondContact ND2-N 2.9Å
203D95.2Very high97.6Very high92 Ų9225.3 Ų25.349%0.49213%0.125SC..THydrogen-bonded Turntrans61.75.7-177.4-82.6-44.4000115.7K75 D200 Y201 R206K75-D203 IonicContact NZ-OD1 3.74Å; K75-D203 PolarHBondContact NZ-OD1 2.79Å; K75-D203 IonicContact NZ-OD2 3.24Å; K75-D203 PolarHBondContact NZ-OD2 3.41Å; D200-D203 WeakPolarHBondContact OD2-CA 3.45Å; D200-D203 PolarHBondContact OD2-N 3.09Å; Y201-D203 PolarHBondContact O-N 2.82Å; D203-R206 IonicContact OD1-CZ 2.81Å; D203-R206 IonicContact OD1-NE 3.54Å; D203-R206 PolarHBondContact OD1-NE 2.8Å; D203-R206 IonicContact OD1-NH2 3.81Å; D203-R206 PolarHBondContact OD1-NH2 2.85Å
204N97.3Very high97.7Very high43 Ų4323.6 Ų23.623%0.2312%0.118CC..BIsolated β-bridgetrans-94.4163.9171.9-66.9-86.5000111.6D200 Y201 N202 R206 F222D200-N204 WeakPolarHBondContact CA-O 3.4Å; D200-N204 WeakPolarHBondContact CB-O 3.46Å; Y201-N204 PolarHBondContact N-O 2.96Å; Y201-N204 VanDerWaalsContact N-O 3.08Å; Y201-N204 WeakPolarHBondContact O-CB 3.26Å; Y201-N204 PolarHBondContact O-N 3.27Å; N202-N204 PolarHBondContact O-N 3.28Å; N202-N204 PolarHBondContact O-ND2 2.89Å; N204-R206 VanDerWaalsContact C-N 3.29Å; N204-R206 PolarHBondContact O-N 2.98Å; N204-F222 HydrophobicContact CB-CD1 4Å; N204-F222 HydrophobicContact CB-CE1 4.34Å; N204-F222 HydrophobicContact CB-CG 4.25Å; N204-F222 WeakPolarHBondContact ND2-CD1 3.33Å; N204-F222 WeakPolarHBondContact OD1-CD1 3.4Å; N204-F222 WeakPolarHBondContact OD1-CE1 3.44Å
205F98.2Very high97.7Very high1 Ų125 Ų250%0.00413%0.125CC..SBendtrans76.4-3.9173.3-55.3-91.1000116.1Y31 C34 L35 V195 G196 D207 L208 I214 F222Y31-F205 AromaticContact CD1-CD1 3.62Å; Y31-F205 HydrophobicContact CD1-CD1 3.62Å; Y31-F205 AromaticContact CD1-CE1 3.23Å; Y31-F205 HydrophobicContact CD1-CE1 3.23Å; Y31-F205 AromaticContact CD1-CZ 3.95Å; Y31-F205 HydrophobicContact CD1-CZ 3.95Å; Y31-F205 AromaticContact CD2-CD1 3.83Å; Y31-F205 HydrophobicContact CD2-CD1 3.83Å; Y31-F205 HydrophobicContact CD2-CE1 4.23Å; Y31-F205 AromaticContact CE1-CD1 3.48Å; Y31-F205 HydrophobicContact CE1-CD1 3.48Å; Y31-F205 VanDerWaalsContact CE1-CD1 3.48Å; Y31-F205 HydrophobicContact CE1-CD2 4.46Å; Y31-F205 AromaticContact CE1-CE1 3.38Å; Y31-F205 HydrophobicContact CE1-CE1 3.38Å; Y31-F205 HydrophobicContact CE1-CE2 4.36Å; Y31-F205 HydrophobicContact CE1-CG 4.04Å; Y31-F205 AromaticContact CE1-CZ 3.86Å; Y31-F205 HydrophobicContact CE1-CZ 3.86Å; Y31-F205 HydrophobicContact CE2-CB 4.41Å; Y31-F205 AromaticContact CE2-CD1 3.7Å; Y31-F205 HydrophobicContact CE2-CD1 3.7Å; Y31-F205 HydrophobicContact CE2-CE1 4.35Å; Y31-F205 HydrophobicContact CE2-CG 4.25Å; Y31-F205 AromaticContact CG-CD1 3.75Å; Y31-F205 HydrophobicContact CG-CD1 3.75Å; Y31-F205 AromaticContact CG-CE1 3.65Å; Y31-F205 HydrophobicContact CG-CE1 3.65Å; Y31-F205 AromaticContact CZ-CD1 3.45Å; Y31-F205 VanDerWaalsContact CZ-CD1 3.45Å; Y31-F205 AromaticContact CZ-CE1 3.9Å; Y31-F205 AromaticContact CZ-CG 3.79Å; Y31-F205 WeakPolarHBondContact OH-CA 3.33Å; Y31-F205 PolarHBondContact OH-N 2.84Å; C34-F205 HydrophobicContact CB-CE1 3.98Å; C34-F205 HydrophobicContact CB-CZ 3.99Å; L35-F205 HydrophobicContact CD2-CD1 4.12Å; L35-F205 HydrophobicContact CD2-CE1 3.95Å; V195-F205 HydrophobicContact CB-CB 3.62Å; V195-F205 HydrophobicContact CB-CD2 4.44Å; V195-F205 HydrophobicContact CB-CG 3.99Å; V195-F205 HydrophobicContact CG1-CB 4.2Å; V195-F205 HydrophobicContact CG1-CD2 4.21Å; V195-F205 HydrophobicContact CG1-CG 4.27Å; V195-F205 HydrophobicContact CG2-CB 3.97Å; V195-F205 HydrophobicContact CG2-CD1 3.99Å; V195-F205 HydrophobicContact CG2-CG 3.95Å; G196-F205 VanDerWaalsContact CA-O 3.31Å; G196-F205 WeakPolarHBondContact CA-O 3.39Å; F205-D207 PolarHBondContact O-N 2.93Å; F205-D207 VanDerWaalsContact O-N 3.12Å; F205-L208 WeakPolarHBondContact O-CB 3.42Å; F205-L208 PolarHBondContact O-N 3.1Å; F205-I214 HydrophobicContact CD2-CD1 4.37Å; F205-I214 HydrophobicContact CE2-CD1 3.55Å; F205-I214 HydrophobicContact CE2-CG1 4.47Å; F205-I214 HydrophobicContact CZ-CD1 3.69Å; F205-I214 HydrophobicContact CZ-CG1 4.18Å; F205-F222 HydrophobicContact CE1-CE2 4.31Å; F205-F222 HydrophobicContact CE2-CB 4.47Å; F205-F222 AromaticContact CE2-CD2 3.42Å; F205-F222 HydrophobicContact CE2-CD2 3.42Å; F205-F222 VanDerWaalsContact CE2-CD2 3.42Å; F205-F222 AromaticContact CE2-CE2 3.78Å; F205-F222 HydrophobicContact CE2-CE2 3.78Å; F205-F222 HydrophobicContact CE2-CG 4.03Å; F205-F222 AromaticContact CZ-CD2 3.45Å; F205-F222 HydrophobicContact CZ-CD2 3.45Å; F205-F222 VanDerWaalsContact CZ-CD2 3.45Å; F205-F222 AromaticContact CZ-CE2 3.41Å; F205-F222 HydrophobicContact CZ-CE2 3.41Å; F205-F222 VanDerWaalsContact CZ-CE2 3.41Å; F205-F222 HydrophobicContact CZ-CG 4.46Å; F205-F222 HydrophobicContact CZ-CZ 4.4Å
206R97.6Very high97.6Very high40 Ų4033 Ų3315%0.15116%0.162CC..THydrogen-bonded Turntrans-56.7-31.4179-59.7-162.6-171.6-77.7-1.3114.2K79 A198 D200 D203 N204 L208K79-R206 PolarHBondContact NZ-O 3.06Å; A198-R206 WeakPolarHBondContact CA-O 3.45Å; A198-R206 PolarHBondContact N-O 2.81Å; A198-R206 WeakPolarHBondContact O-CG 3.47Å; A198-R206 PolarHBondContact O-NH1 3.02Å; D200-R206 HydrophobicContact CB-CG 3.74Å; D200-R206 VanDerWaalsContact CB-CZ 3.42Å; D200-R206 IonicContact OD1-CZ 3.76Å; D200-R206 IonicContact OD1-NH1 2.73Å; D200-R206 PolarHBondContact OD1-NH1 3.41Å; D200-R206 IonicContact OD1-NH2 3.53Å; D200-R206 PolarHBondContact OD1-NH2 3.3Å; D200-R206 IonicContact OD2-CZ 2.85Å; D200-R206 IonicContact OD2-NH2 2.63Å; D200-R206 PolarHBondContact OD2-NH2 3.48Å; D203-R206 IonicContact OD1-CZ 2.81Å; D203-R206 IonicContact OD1-NE 3.54Å; D203-R206 PolarHBondContact OD1-NE 2.8Å; D203-R206 IonicContact OD1-NH2 3.81Å; D203-R206 PolarHBondContact OD1-NH2 2.85Å; N204-R206 VanDerWaalsContact C-N 3.29Å; N204-R206 PolarHBondContact O-N 2.98Å; R206-L208 VanDerWaalsContact C-N 3.35Å
207D97.4Very high97.6Very high66 Ų6636.8 Ų36.835%0.35319%0.186SC..THydrogen-bonded Turntrans-77.5-15.9178.663.4-41.7000113.7R30 Y31 F205 H209R30-D207 IonicContact CZ-OD1 2.85Å; R30-D207 IonicContact CZ-OD2 3.8Å; R30-D207 VanDerWaalsContact CZ-OD2 3.24Å; R30-D207 IonicContact NE-OD1 2.75Å; R30-D207 IonicContact NE-OD2 3.65Å; R30-D207 PolarHBondContact NE-OD2 3.34Å; R30-D207 IonicContact NH2-OD1 2.66Å; R30-D207 PolarHBondContact NH2-OD1 3.14Å; R30-D207 IonicContact NH2-OD2 2.85Å; R30-D207 PolarHBondContact NH2-OD2 2.87Å; Y31-D207 WeakPolarHBondContact CE2-OD1 3.4Å; F205-D207 PolarHBondContact O-N 2.93Å; F205-D207 VanDerWaalsContact O-N 3.12Å; D207-H209 PolarHBondContact O-N 3.39Å
208L97.8Very high97.5Very high1 Ų136.6 Ų36.61%0.00519%0.185CC..  trans-60.9138.9175.9-170.868.3000110.3Y31 L35 V195 Y197 F205 R206 C212Y31-L208 HydrophobicContact CD2-CD1 4.18Å; L35-L208 HydrophobicContact CD1-CD1 4.04Å; L35-L208 HydrophobicContact CD1-CD2 3.7Å; L35-L208 HydrophobicContact CD2-CD2 3.99Å; V195-L208 HydrophobicContact CG2-CD2 4.47Å; Y197-L208 PolarHBondContact N-O 2.87Å; F205-L208 WeakPolarHBondContact O-CB 3.42Å; F205-L208 PolarHBondContact O-N 3.1Å; R206-L208 VanDerWaalsContact C-N 3.35Å; L208-C212 HydrophobicContact CD2-CB 3.94Å
209H96.9Very high97.5Very high118 Ų11839.5 Ų39.555%0.54620%0.199SC..SBendtrans-77.4-40.5-172.8-82.8-125.2000112.9N42 D207N42-H209 WeakPolarHBondContact CB-O 3.42Å; N42-H209 PolarHBondContact ND2-O 3.22Å; D207-H209 PolarHBondContact O-N 3.39Å
210H98.5Very high97.4Very high19 Ų1947.5 Ų47.59%0.08823%0.233CC..SBendtrans-98158.6-177.9-50.1-41.6000110.3F25 C26 V38 N42 G196F25-H210 AromaticContact CD1-NE2 3.72Å; C26-H210 PolarHBondContact O-NE2 3.05Å; V38-H210 HydrophobicContact CG1-CB 3.77Å; V38-H210 HydrophobicContact CG2-CB 4.4Å; N42-H210 PolarHBondContact N-ND1 3.32Å; G196-H210 WeakPolarHBondContact CA-O 3.38Å
211I98.8Very high97.3Very high0 Ų051.5 Ų51.50%025%0.248CC..EExtended strand (participates in β ladder)trans-84.6118.3167-63.9169000106.8L39 I40 I45 L169 L170 V194 V195 L199L39-I211 WeakPolarHBondContact CA-O 3.5Å; L39-I211 PolarHBondContact N-O 2.71Å; I40-I211 HydrophobicContact CB-CB 4.1Å; I40-I211 HydrophobicContact CB-CD1 4.42Å; I40-I211 HydrophobicContact CD1-CD1 4.29Å; I40-I211 HydrophobicContact CG1-CB 4.45Å; I40-I211 PolarHBondContact N-O 3.5Å; I40-I211 PolarHBondContact O-N 3.12Å; I45-I211 HydrophobicContact CD1-CD1 3.48Å; I45-I211 VanDerWaalsContact CD1-CD1 3.48Å; I45-I211 HydrophobicContact CD1-CG1 3.75Å; I45-I211 HydrophobicContact CG1-CD1 4.18Å; L169-I211 HydrophobicContact CD2-CD1 3.96Å; L170-I211 HydrophobicContact CD1-CD1 4.15Å; L170-I211 HydrophobicContact CD1-CG2 4.27Å; L170-I211 HydrophobicContact CD2-CD1 4.11Å; L170-I211 HydrophobicContact CG-CD1 4.41Å; V194-I211 HydrophobicContact CB-CG2 3.94Å; V194-I211 HydrophobicContact CG1-CG2 4.26Å; V195-I211 CarbonylContact O-C 3.51Å; V195-I211 WeakPolarHBondContact O-CA 3.31Å; L199-I211 HydrophobicContact CD1-CD1 4.26Å; L199-I211 HydrophobicContact CD1-CG1 4.11Å; L199-I211 HydrophobicContact CD1-CG2 4.1Å
212C98.7Very high97.3Very high0 Ų052.7 Ų52.70%025%0.254CS..EExtended strand (participates in β ladder)trans-123.2161-175.9-61.60000110.7L35 Y37 V194 V195 L208L35-C212 HydrophobicContact CD1-CB 4.31Å; L35-C212 HydrophobicContact CD2-CB 3.93Å; Y37-C212 VanDerWaalsContact O-CA 3.27Å; Y37-C212 WeakPolarHBondContact O-CA 3.41Å; Y37-C212 WeakPolarHBondContact O-CB 3.14Å; V194-C212 CarbonylContact C-O 3.6Å; V194-C212 VanDerWaalsContact CA-O 3.26Å; V194-C212 WeakPolarHBondContact CA-O 3.2Å; V195-C212 PolarHBondContact N-O 3.33Å; V195-C212 PolarHBondContact O-N 3.08Å; L208-C212 HydrophobicContact CD2-CB 3.94Å
213V98.5Very high97.3Very high9 Ų954 Ų546%0.05527%0.266CS..EExtended strand (participates in β ladder)trans-91.9131.8167.8176.60000109D36 Y37 L39 R192 V194D36-V213 HydrophobicContact CB-CB 4.39Å; D36-V213 HydrophobicContact CB-CG1 4.35Å; D36-V213 PolarHBondContact N-O 3.42Å; Y37-V213 HydrophobicContact CD2-CB 4.45Å; Y37-V213 HydrophobicContact CD2-CG2 4.24Å; Y37-V213 HydrophobicContact CE1-CB 4.11Å; Y37-V213 HydrophobicContact CE1-CG1 4.39Å; Y37-V213 HydrophobicContact CE1-CG2 4.27Å; Y37-V213 HydrophobicContact CE2-CB 4.08Å; Y37-V213 HydrophobicContact CE2-CG2 3.52Å; Y37-V213 PolarHBondContact O-N 3.2Å; L39-V213 HydrophobicContact CB-CG2 4.48Å; R192-V213 HydrophobicContact CB-CG1 4.31Å; R192-V213 HydrophobicContact CB-CG2 4.09Å; V194-V213 HydrophobicContact CG1-CG2 4.17Å
214I98.1Very high97Very high4 Ų452.5 Ų52.52%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-81.6133.5177.3-168.3177.3000110.3C34 F193 V195 Y201 F205 Q219C34-I214 WeakPolarHBondContact O-CG1 3.17Å; F193-I214 HydrophobicContact CB-CG2 4.16Å; F193-I214 HydrophobicContact CD1-CG2 3.83Å; F193-I214 HydrophobicContact CG-CG2 4.39Å; F193-I214 PolarHBondContact O-N 3.49Å; V195-I214 HydrophobicContact CG1-CB 4.33Å; V195-I214 HydrophobicContact CG2-CB 4.24Å; Y201-I214 HydrophobicContact CD1-CD1 3.84Å; Y201-I214 HydrophobicContact CE1-CD1 4.43Å; Y201-I214 HydrophobicContact CG-CD1 3.99Å; F205-I214 HydrophobicContact CD2-CD1 4.37Å; F205-I214 HydrophobicContact CE2-CD1 3.55Å; F205-I214 HydrophobicContact CE2-CG1 4.47Å; F205-I214 HydrophobicContact CZ-CD1 3.69Å; F205-I214 HydrophobicContact CZ-CG1 4.18Å; I214-Q219 HydrophobicContact CD1-CG 4.11Å; I214-Q219 HydrophobicContact CG1-CG 4.19Å; I214-Q219 HydrophobicContact CG2-CG 3.8Å; I214-Q219 PolarHBondContact O-NE2 3.26Å
215N97.8Very high96.2Very high35 Ų3555.5 Ų55.519%0.18728%0.281CS..  trans-87175.2177.871.322.5000111.9E33 C34 L35 D36 V217 G218 Q219E33-N215 PolarHBondContact O-ND2 3.5Å; E33-N215 PolarHBondContact O-OD1 3.2Å; C34-N215 VanDerWaalsContact C-ND2 3.34Å; C34-N215 VanDerWaalsContact C-OD1 3.29Å; C34-N215 WeakPolarHBondContact CA-OD1 3.22Å; C34-N215 PolarHBondContact O-N 2.96Å; C34-N215 PolarHBondContact O-OD1 3.43Å; L35-N215 PolarHBondContact N-ND2 2.86Å; L35-N215 PolarHBondContact O-ND2 2.79Å; D36-N215 HydrophobicContact CB-CB 4.12Å; N215-V217 VanDerWaalsContact C-N 3.29Å; N215-V217 PolarHBondContact O-N 3.12Å; N215-V217 WeakPolarHBondContact OD1-CB 3.22Å; N215-V217 PolarHBondContact OD1-N 3.06Å; N215-V217 VanDerWaalsContact OD1-N 3.1Å; N215-G218 PolarHBondContact O-N 2.86Å; N215-G218 PolarHBondContact OD1-N 3.35Å; N215-Q219 WeakPolarHBondContact O-CG 3.42Å; N215-Q219 PolarHBondContact O-N 3.16Å
216E97.3Very high94.5Very high168 Ų16861 Ų6179%0.78532%0.319SS*.Hα-helixtrans-60.5-36.3-178.6-63.7-177.2177.300113.2Q219 K220E216-Q219 PolarHBondContact O-N 3.11Å; E216-K220 WeakPolarHBondContact O-CB 3.3Å; E216-K220 PolarHBondContact O-N 3.49Å
217V97.6Very high92.4Very high81 Ų8164.7 Ų64.749%0.49135%0.346SS..Hα-helixtrans-63.2-46.6177.5176.90000110N215 K220 K221N215-V217 VanDerWaalsContact C-N 3.29Å; N215-V217 PolarHBondContact O-N 3.12Å; N215-V217 WeakPolarHBondContact OD1-CB 3.22Å; N215-V217 PolarHBondContact OD1-N 3.06Å; N215-V217 VanDerWaalsContact OD1-N 3.1Å; V217-K220 PolarHBondContact O-N 3.45Å; V217-K221 WeakPolarHBondContact O-CB 3.46Å; V217-K221 PolarHBondContact O-N 3.35Å
218G97.5Very high89.5Confident0 Ų066.7 Ų66.70%037%0.365CS..Hα-helixtrans-60.9-48175.300000112.2N215 K220 K221 F222N215-G218 PolarHBondContact O-N 2.86Å; N215-G218 PolarHBondContact OD1-N 3.35Å; G218-K220 VanDerWaalsContact C-N 3.31Å; G218-K220 PolarHBondContact O-N 3.36Å; G218-K221 PolarHBondContact O-N 3.11Å; G218-F222 VanDerWaalsContact O-CD2 3.3Å; G218-F222 WeakPolarHBondContact O-CD2 3.46Å; G218-F222 PolarHBondContact O-N 2.85Å; G218-F222 VanDerWaalsContact O-N 3.11Å
219Q96.4Very high86.2Confident62 Ų6275.6 Ų75.629%0.2940%0.404SS..Hα-helixtrans-58.7-43.6179.4-70.3176.53100111.9Y201 I214 N215 E216 S223Y201-Q219 VanDerWaalsContact CE1-O 3.26Å; Y201-Q219 WeakPolarHBondContact CE1-O 3.47Å; Y201-Q219 PolarHBondContact OH-O 2.9Å; I214-Q219 HydrophobicContact CD1-CG 4.11Å; I214-Q219 HydrophobicContact CG1-CG 4.19Å; I214-Q219 HydrophobicContact CG2-CG 3.8Å; I214-Q219 PolarHBondContact O-NE2 3.26Å; N215-Q219 WeakPolarHBondContact O-CG 3.42Å; N215-Q219 PolarHBondContact O-N 3.16Å; E216-Q219 PolarHBondContact O-N 3.11Å; Q219-S223 WeakPolarHBondContact O-CB 3.45Å; Q219-S223 PolarHBondContact O-N 3.13Å; Q219-S223 VanDerWaalsContact O-N 3.11Å
220K96.2Very high83.4Confident174 Ų17476.1 Ų76.176%0.75742%0.418SS*.Hα-helixtrans-68.9-42.7177.4-173.1176.6-179.51800112.4E216 V217 G218 F222 S223E216-K220 WeakPolarHBondContact O-CB 3.3Å; E216-K220 PolarHBondContact O-N 3.49Å; V217-K220 PolarHBondContact O-N 3.45Å; G218-K220 VanDerWaalsContact C-N 3.31Å; G218-K220 PolarHBondContact O-N 3.36Å; K220-F222 VanDerWaalsContact C-N 3.28Å; K220-F222 PolarHBondContact O-N 2.85Å; K220-S223 PolarHBondContact O-OG 3.47Å
221K96.6Very high80.4Confident129 Ų12985.4 Ų85.456%0.56148%0.475SS*.Hα-helixtrans-62.6-35-177.6-176.3174.5-178.1177.70112.6V217 G218V217-K221 WeakPolarHBondContact O-CB 3.46Å; V217-K221 PolarHBondContact O-N 3.35Å; G218-K221 PolarHBondContact O-N 3.11Å
222F96.2Very high79.5Confident33 Ų3389.7 Ų89.715%0.14550%0.499CS..THydrogen-bonded Turntrans-111.512.1-174.6-62.1-72.7000113.5Y31 Y201 N202 N204 F205 G218 K220Y31-F222 HydrophobicContact CD1-CE2 4.34Å; Y31-F222 HydrophobicContact CD1-CZ 4.32Å; Y31-F222 HydrophobicContact CE1-CE2 4.09Å; Y31-F222 AromaticContact CE1-CZ 3.83Å; Y31-F222 HydrophobicContact CE1-CZ 3.83Å; Y201-F222 HydrophobicContact CD1-CB 3.64Å; Y201-F222 VanDerWaalsContact CE1-C 3.5Å; Y201-F222 HydrophobicContact CE1-CB 3.76Å; Y201-F222 WeakPolarHBondContact CE1-O 3.49Å; N202-F222 WeakPolarHBondContact CB-O 3.45Å; N202-F222 PolarHBondContact ND2-O 3.35Å; N204-F222 HydrophobicContact CB-CD1 4Å; N204-F222 HydrophobicContact CB-CE1 4.34Å; N204-F222 HydrophobicContact CB-CG 4.25Å; N204-F222 WeakPolarHBondContact ND2-CD1 3.33Å; N204-F222 WeakPolarHBondContact OD1-CD1 3.4Å; N204-F222 WeakPolarHBondContact OD1-CE1 3.44Å; F205-F222 HydrophobicContact CE1-CE2 4.31Å; F205-F222 HydrophobicContact CE2-CB 4.47Å; F205-F222 AromaticContact CE2-CD2 3.42Å; F205-F222 HydrophobicContact CE2-CD2 3.42Å; F205-F222 VanDerWaalsContact CE2-CD2 3.42Å; F205-F222 AromaticContact CE2-CE2 3.78Å; F205-F222 HydrophobicContact CE2-CE2 3.78Å; F205-F222 HydrophobicContact CE2-CG 4.03Å; F205-F222 AromaticContact CZ-CD2 3.45Å; F205-F222 HydrophobicContact CZ-CD2 3.45Å; F205-F222 VanDerWaalsContact CZ-CD2 3.45Å; F205-F222 AromaticContact CZ-CE2 3.41Å; F205-F222 HydrophobicContact CZ-CE2 3.41Å; F205-F222 VanDerWaalsContact CZ-CE2 3.41Å; F205-F222 HydrophobicContact CZ-CG 4.46Å; F205-F222 HydrophobicContact CZ-CZ 4.4Å; G218-F222 VanDerWaalsContact O-CD2 3.3Å; G218-F222 WeakPolarHBondContact O-CD2 3.46Å; G218-F222 PolarHBondContact O-N 2.85Å; G218-F222 VanDerWaalsContact O-N 3.11Å; K220-F222 VanDerWaalsContact C-N 3.28Å; K220-F222 PolarHBondContact O-N 2.85Å
223S94.5Very high78.5Confident60 Ų6094.4 Ų94.442%0.4253%0.525SS..PPolyproline II helixtrans-65.7144.4176.964.70000111.4Q219 K220Q219-S223 WeakPolarHBondContact O-CB 3.45Å; Q219-S223 PolarHBondContact O-N 3.13Å; Q219-S223 VanDerWaalsContact O-N 3.11Å; K220-S223 PolarHBondContact O-OG 3.47Å
224V89.8Confident77.4Confident59 Ų5999.2 Ų99.236%0.35855%0.551SS.*PPolyproline II helixtrans-94.7135.4167.3-67.70000110V112 N113 N202 C226V112-V224 HydrophobicContact CG1-CG2 3.58Å; N113-V224 PolarHBondContact ND2-O 2.81Å; N113-V224 VanDerWaalsContact OD1-CG2 3.27Å; N113-V224 WeakPolarHBondContact OD1-CG2 3.33Å; N113-V224 PolarHBondContact OD1-N 3.09Å; N202-V224 HydrophobicContact CB-CG1 4.16Å; N202-V224 PolarHBondContact ND2-N 2.9Å; V224-C226 PolarHBondContact O-N 2.85Å
225P79.9Confident76.2Confident106 Ų106104.8 Ų104.869%0.68858%0.583SS**PPolyproline II helixtrans-57.4128.2175.1-2130.9000110.2T227P225-T227 HydrophobicContact CB-CG2 4.31Å; P225-T227 PolarHBondContact O-N 3.1Å
226C62.7Low74.8Confident118 Ų118109.1 Ų109.180%0.79761%0.607SS**  trans-70.974167.7-86.10000109.3V224 S228V224-C226 PolarHBondContact O-N 2.85Å; C226-S228 PolarHBondContact O-N 2.66Å; C226-S228 VanDerWaalsContact O-N 3.09Å
227T53.4Low73.3Confident117 Ų117105.2 Ų105.272%0.71860%0.595SS**  trans-75.498.3166.850.30000108.3P225P225-T227 HydrophobicContact CB-CG2 4.31Å; P225-T227 PolarHBondContact O-N 3.1Å
228S36.4Very low71.6Confident108 Ų108106.9 Ų106.976%0.75560%0.603SS**SBendtrans17.9110.2152.554.10000117.7C226C226-S228 PolarHBondContact O-N 2.66Å; C226-S228 VanDerWaalsContact O-N 3.09Å
229K29.2Very low69.6Low188 Ų188115.2 Ų115.282%0.81765%0.649SS**  trans43.1126.8158.2-69.2-174.4178-178.70118.1V231K229-V231 PolarHBondContact O-N 2.93Å
230P37Very low67.3Low129 Ų129119.6 Ų119.684%0.83868%0.679SS**  trans-60.4129.1158.218.5-11000107.9
231V36.4Very low64.7Low214 Ų214114.6 Ų114.6100%1.29767%0.672SS**  trans-56.70168.5178.50000109.4K229K229-V231 PolarHBondContact O-N 2.93Å

Retrieved 231 of 231 residues in 69.1 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).