A0A3Q0KD81_SCHMA Loading...

Lengsin

May act as a component of the cytoskeleton or as a chaperone for the reorganization of intermediate filament proteins during terminal differentiation in the lens. Does not seem to have enzymatic activity.

AlphaFold DB , UniProt , Accession A0A3Q0KD81, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 513 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45Very low40.5Very low202 Ų202159.2 Ų159.2100%0.99573%0.727SS**  0-52.40-77.3-78.5-104.300111.7R3 I4 R5M1-R3 PolarHBondContact O-N 3.42Å; M1-I4 PolarHBondContact O-N 3.23Å; M1-R5 PolarHBondContact O-N 2.96Å
2E45Very low39.9Very low173 Ų173154.6 Ų154.681%0.80872%0.719SS**Hα-helixtrans-62.2-35.9177.7-76.4176.8146.900114.5I4 R5 S6E2-I4 VanDerWaalsContact C-N 3.27Å; E2-I4 PolarHBondContact O-N 3.05Å; E2-R5 PolarHBondContact O-N 2.97Å; E2-S6 PolarHBondContact O-N 2.89Å
3R41Very low39.5Very low219 Ų219152 Ų15283%0.82671%0.712SS**Hα-helixtrans-67.5-22.1178.8-145.7176.2-173.2-176.71.4114.4M1 S6M1-R3 PolarHBondContact O-N 3.42Å; R3-S6 PolarHBondContact O-OG 3.24Å
4I46.7Very low39Very low113 Ų113153.4 Ų153.458%0.57972%0.719SS**Hα-helixtrans-85.7-31177.3-63.5175.2000110.5M1 E2 F8M1-I4 PolarHBondContact O-N 3.23Å; E2-I4 VanDerWaalsContact C-N 3.27Å; E2-I4 PolarHBondContact O-N 3.05Å; I4-F8 HydrophobicContact CG2-CD2 4.26Å; I4-F8 HydrophobicContact CG2-CE2 4.45Å; I4-F8 PolarHBondContact O-N 3.28Å
5R42.4Very low38.8Very low206 Ų206151.6 Ų151.678%0.77773%0.726SS**Hα-helixtrans-67.8-33.5173.9-82.1-177.2173173.9-3.3112.8M1 E2M1-R5 PolarHBondContact O-N 2.96Å; E2-R5 PolarHBondContact O-N 2.97Å
6S41.5Very low39.3Very low72 Ų72148 Ų14850%0.50371%0.708SS.*Hα-helixtrans-73.3-25.3179.566.50000113.9E2 R3E2-S6 PolarHBondContact O-N 2.89Å; R3-S6 PolarHBondContact O-OG 3.24Å
7E39.7Very low39.5Very low131 Ų131147.9 Ų147.961%0.61271%0.712SS**Hα-helixtrans-86.2-26.9177.5-67-146143.600113.2N9 K10E7-N9 PolarHBondContact O-N 3.24Å; E7-K10 PolarHBondContact O-N 2.85Å; E7-K10 VanDerWaalsContact O-N 3.14Å
8F38.6Very low40.3Very low160 Ų160150.6 Ų150.670%0.70272%0.724SS**Hα-helixtrans-65.2-27.7172.3-102.4-87.3000113.3I4 K10 F11I4-F8 HydrophobicContact CG2-CD2 4.26Å; I4-F8 HydrophobicContact CG2-CE2 4.45Å; I4-F8 PolarHBondContact O-N 3.28Å; F8-K10 PolarHBondContact O-N 3.34Å; F8-F11 PolarHBondContact O-N 2.92Å
9N35.9Very low41.5Very low120 Ų120146.8 Ų146.864%0.64271%0.71SS**G310 helixtrans-71.6-5.5174.6-84.9-4.1000114.1E7 F11 V12E7-N9 PolarHBondContact O-N 3.24Å; N9-F11 VanDerWaalsContact C-N 3.34Å; N9-V12 HydrophobicContact CB-CG2 4.44Å; N9-V12 WeakPolarHBondContact O-CG2 3.2Å
10K35.5Very low43.4Very low167 Ų167146.6 Ų146.673%0.72671%0.713SS**G310 helixtrans-83.8-7.9174.2-76.1-176.7175.81760114.1E7 F8E7-K10 PolarHBondContact O-N 2.85Å; E7-K10 VanDerWaalsContact O-N 3.14Å; F8-K10 PolarHBondContact O-N 3.34Å
11F34.6Very low45.4Very low188 Ų188141.1 Ų141.183%0.82569%0.687SS**G310 helixtrans-100.218.5169.2-77.4-81.3000112.7F8 N9 L13F8-F11 PolarHBondContact O-N 2.92Å; N9-F11 VanDerWaalsContact C-N 3.34Å; F11-L13 PolarHBondContact O-N 3.34Å
12V33.4Very low47.5Very low104 Ų104134.6 Ų134.663%0.6366%0.661SS**  trans-65.6107.7167.51760000106.5N9 E14N9-V12 HydrophobicContact CB-CG2 4.44Å; N9-V12 WeakPolarHBondContact O-CG2 3.2Å; V12-E14 PolarHBondContact O-N 3.48Å
13L34.4Very low49.7Very low121 Ų121132.4 Ų132.463%0.63466%0.655SS**  trans-37.2133.7164.5-67.2160.5000108.2F11F11-L13 PolarHBondContact O-N 3.34Å
14E32.1Very low52.2Low171 Ų171128.2 Ų128.280%0.79965%0.645SS**  trans-40.4142.8174.3-69.2-175.1160.200110.2V12 E16V12-E14 PolarHBondContact O-N 3.48Å; E14-E16 VanDerWaalsContact C-N 3.33Å; E14-E16 PolarHBondContact O-N 2.94Å
15P37Very low54.3Low127 Ų127123.8 Ų123.883%0.82562%0.623SS**  trans-55.3104.3179.923.3-30.9000107.6N17P15-N17 PolarHBondContact O-N 2.89Å
16E45.6Very low56.8Low94 Ų94118.4 Ų118.444%0.43961%0.605SS.*  trans-59.6115.1-176.8-71.5179161.700105.7E14 E18 K60E14-E16 VanDerWaalsContact C-N 3.33Å; E14-E16 PolarHBondContact O-N 2.94Å; E16-E18 PolarHBondContact O-N 2.78Å; E16-E18 VanDerWaalsContact O-N 3.16Å; E16-K60 WeakPolarHBondContact OE2-CD 3.38Å; E16-K60 WeakPolarHBondContact OE2-CE 3.46Å; E16-K60 IonicContact OE2-NZ 2.81Å; E16-K60 PolarHBondContact OE2-NZ 3.3Å
17N43.5Very low59.3Low147 Ų147118.9 Ų118.979%0.78661%0.605SS**  trans-40.3128.6161.3-74.2-39.8000106.8P15 V19P15-N17 PolarHBondContact O-N 2.89Å; N17-V19 PolarHBondContact O-N 2.77Å
18E53.5Low61.9Low196 Ų196112.9 Ų112.992%0.91658%0.577SS**  trans-58.386.3177.2-81-17815100108.5E16 D20E16-E18 PolarHBondContact O-N 2.78Å; E16-E18 VanDerWaalsContact O-N 3.16Å; E18-D20 PolarHBondContact O-N 3.04Å
19V64.1Low64.6Low78 Ų78106.1 Ų106.147%0.47355%0.548SS..  trans-66.4113.8166.7178.60000104.1N17 L21 M64N17-V19 PolarHBondContact O-N 2.77Å; V19-L21 HydrophobicContact CG1-CD2 4.46Å; V19-L21 PolarHBondContact O-N 2.93Å; V19-M64 HydrophobicContact CG1-CE 4.33Å; V19-M64 HydrophobicContact CG2-CE 4.41Å
20D79.1Confident67.4Low143 Ų143107.5 Ų107.577%0.76555%0.548SS*.  trans-64.3100.8176.8-163.58.5000108.3E18 K26E18-D20 PolarHBondContact O-N 3.04Å; D20-K26 IonicContact OD1-NZ 3.74Å; D20-K26 PolarHBondContact OD1-NZ 2.76Å
21L85Confident70.2Confident32 Ų32102 Ų10217%0.16853%0.527CS..  trans-72.8140.7-178.5-60.8173.5000108.8V19 V25 K26 I29 K60 M64V19-L21 HydrophobicContact CG1-CD2 4.46Å; V19-L21 PolarHBondContact O-N 2.93Å; L21-V25 HydrophobicContact CB-CB 4.34Å; L21-V25 HydrophobicContact CB-CG1 4.05Å; L21-V25 HydrophobicContact CD1-CG1 4.13Å; L21-V25 HydrophobicContact CD2-CG1 3.98Å; L21-V25 HydrophobicContact CG-CG1 4.27Å; L21-K26 HydrophobicContact CB-CG 3.96Å; L21-K26 WeakPolarHBondContact O-CE 3.39Å; L21-K26 PolarHBondContact O-NZ 3.45Å; L21-I29 HydrophobicContact CD1-CD1 3.9Å; L21-K60 HydrophobicContact CD1-CG 4.42Å; L21-M64 HydrophobicContact CD2-CG 4.26Å; L21-M64 HydrophobicContact CD2-SD 4.21Å
22S89.4Confident72.9Confident65 Ų6593.1 Ų93.146%0.45549%0.488SS..  trans-59.6154.3170.767.90000110.8E24 V25 K26S22-E24 PolarHBondContact O-N 3.07Å; S22-V25 PolarHBondContact O-N 3.16Å; S22-V25 VanDerWaalsContact O-N 3.12Å; S22-V25 VanDerWaalsContact OG-CG2 3.26Å; S22-V25 WeakPolarHBondContact OG-CG2 3.32Å; S22-V25 PolarHBondContact OG-N 2.75Å; S22-K26 PolarHBondContact O-N 3.18Å
23D91.8Very high75.8Confident126 Ų12693.6 Ų93.667%0.67448%0.483SS*.Hα-helixtrans-58.6-36.8178.7-68.6-27.9000111.8V25 K26 V27D23-V25 PolarHBondContact O-N 3.06Å; D23-K26 PolarHBondContact O-N 2.77Å; D23-V27 WeakPolarHBondContact O-CG2 3.34Å; D23-V27 PolarHBondContact O-N 2.79Å
24E91.7Very high78.5Confident132 Ų13294.3 Ų94.362%0.61748%0.481SS*.Hα-helixtrans-61.2-44176.4-156.9-172.616800112.1S22 K26 V27 F28 F102S22-E24 PolarHBondContact O-N 3.07Å; E24-K26 PolarHBondContact O-N 2.98Å; E24-V27 PolarHBondContact O-N 3.48Å; E24-F28 WeakPolarHBondContact O-CB 3.41Å; E24-F28 PolarHBondContact O-N 3.41Å; E24-F102 HydrophobicContact CG-CD2 3.86Å; E24-F102 HydrophobicContact CG-CE2 4.39Å
25V92.5Very high81.5Confident19 Ų1988.4 Ų88.412%0.11545%0.452CS..Hα-helixtrans-64.6-41.2175.8169.20000111.1L21 S22 D23 F28 I29 A63 F102L21-V25 HydrophobicContact CB-CB 4.34Å; L21-V25 HydrophobicContact CB-CG1 4.05Å; L21-V25 HydrophobicContact CD1-CG1 4.13Å; L21-V25 HydrophobicContact CD2-CG1 3.98Å; L21-V25 HydrophobicContact CG-CG1 4.27Å; S22-V25 PolarHBondContact O-N 3.16Å; S22-V25 VanDerWaalsContact O-N 3.12Å; S22-V25 VanDerWaalsContact OG-CG2 3.26Å; S22-V25 WeakPolarHBondContact OG-CG2 3.32Å; S22-V25 PolarHBondContact OG-N 2.75Å; D23-V25 PolarHBondContact O-N 3.06Å; V25-F28 PolarHBondContact O-N 3.21Å; V25-I29 HydrophobicContact CG1-CD1 3.79Å; V25-I29 HydrophobicContact CG1-CG1 4.43Å; V25-I29 VanDerWaalsContact O-CG1 3.28Å; V25-I29 WeakPolarHBondContact O-CG1 3.29Å; V25-I29 PolarHBondContact O-N 3.24Å; V25-A63 HydrophobicContact CG1-CB 3.73Å; V25-F102 HydrophobicContact CB-CE2 4.5Å; V25-F102 HydrophobicContact CG2-CE2 3.78Å; V25-F102 HydrophobicContact CG2-CZ 3.89Å
26K93.6Very high84.2Confident93 Ų9385.6 Ų85.640%0.40443%0.43SS..Hα-helixtrans-62.2-42.4177.1-69.6168.2177.7149.60111.4D20 L21 S22 D23 E24 K30D20-K26 IonicContact OD1-NZ 3.74Å; D20-K26 PolarHBondContact OD1-NZ 2.76Å; L21-K26 HydrophobicContact CB-CG 3.96Å; L21-K26 WeakPolarHBondContact O-CE 3.39Å; L21-K26 PolarHBondContact O-NZ 3.45Å; S22-K26 PolarHBondContact O-N 3.18Å; D23-K26 PolarHBondContact O-N 2.77Å; E24-K26 PolarHBondContact O-N 2.98Å; K26-K30 PolarHBondContact O-N 3.16Å
27V94.4Very high86.6Confident83 Ų8383.6 Ų83.650%0.50342%0.42SS..Hα-helixtrans-63.7-49.5176170.90000110.8D23 E24 I29 K30 D31D23-V27 WeakPolarHBondContact O-CG2 3.34Å; D23-V27 PolarHBondContact O-N 2.79Å; E24-V27 PolarHBondContact O-N 3.48Å; V27-I29 PolarHBondContact O-N 2.85Å; V27-K30 WeakPolarHBondContact O-CB 3.28Å; V27-K30 PolarHBondContact O-N 3.18Å; V27-K30 VanDerWaalsContact O-N 3.16Å; V27-D31 PolarHBondContact O-N 3.17Å
28F94.7Very high89.1Confident4 Ų476.6 Ų76.62%0.01838%0.383CS..Hα-helixtrans-56.6-47.7178.4173-100.3000112.2E24 V25 K30 D31 V32 I38 L62 A63 P100 F102 L105 V140E24-F28 WeakPolarHBondContact O-CB 3.41Å; E24-F28 PolarHBondContact O-N 3.41Å; V25-F28 PolarHBondContact O-N 3.21Å; F28-K30 VanDerWaalsContact C-N 3.31Å; F28-K30 PolarHBondContact O-N 2.89Å; F28-D31 PolarHBondContact O-N 2.66Å; F28-D31 VanDerWaalsContact O-N 3.15Å; F28-V32 HydrophobicContact CD1-CG2 4.18Å; F28-V32 HydrophobicContact CD2-CG2 4Å; F28-V32 HydrophobicContact CE1-CG2 3.79Å; F28-V32 HydrophobicContact CE2-CG2 3.58Å; F28-V32 HydrophobicContact CG-CG2 4.3Å; F28-V32 HydrophobicContact CZ-CG2 3.48Å; F28-V32 VanDerWaalsContact CZ-CG2 3.48Å; F28-V32 VanDerWaalsContact O-CG2 3.31Å; F28-V32 WeakPolarHBondContact O-CG2 3.36Å; F28-V32 PolarHBondContact O-N 2.97Å; F28-I38 HydrophobicContact CZ-CD1 4.11Å; F28-L62 HydrophobicContact CE1-CD2 3.9Å; F28-L62 HydrophobicContact CE1-CG 4.17Å; F28-L62 HydrophobicContact CZ-CD2 3.82Å; F28-L62 HydrophobicContact CZ-CG 4.37Å; F28-A63 HydrophobicContact CD1-CB 3.69Å; F28-A63 HydrophobicContact CE1-CB 3.96Å; F28-P100 HydrophobicContact CE1-CG 4.45Å; F28-P100 HydrophobicContact CZ-CB 4.16Å; F28-P100 HydrophobicContact CZ-CG 4.34Å; F28-F102 HydrophobicContact CB-CB 4.36Å; F28-F102 HydrophobicContact CB-CD1 3.81Å; F28-F102 HydrophobicContact CB-CD2 4.03Å; F28-F102 HydrophobicContact CB-CE1 3.96Å; F28-F102 HydrophobicContact CB-CE2 4.21Å; F28-F102 HydrophobicContact CB-CG 3.82Å; F28-F102 HydrophobicContact CB-CZ 4.18Å; F28-F102 AromaticContact CD1-CD1 3.69Å; F28-F102 HydrophobicContact CD1-CD1 3.69Å; F28-F102 AromaticContact CD1-CE1 3.36Å; F28-F102 HydrophobicContact CD1-CE1 3.36Å; F28-F102 HydrophobicContact CD1-CZ 4.04Å; F28-F102 HydrophobicContact CD2-CB 3.87Å; F28-F102 AromaticContact CD2-CD1 3.17Å; F28-F102 HydrophobicContact CD2-CD1 3.17Å; F28-F102 AromaticContact CD2-CE1 3.81Å; F28-F102 HydrophobicContact CD2-CE1 3.81Å; F28-F102 AromaticContact CD2-CG 3.69Å; F28-F102 HydrophobicContact CD2-CG 3.69Å; F28-F102 AromaticContact CE1-CD1 3.98Å; F28-F102 HydrophobicContact CE1-CD1 3.98Å; F28-F102 AromaticContact CE1-CE1 3.66Å; F28-F102 HydrophobicContact CE1-CE1 3.66Å; F28-F102 AromaticContact CE2-CD1 3.51Å; F28-F102 HydrophobicContact CE2-CD1 3.51Å; F28-F102 HydrophobicContact CE2-CE1 4.08Å; F28-F102 HydrophobicContact CE2-CG 4.37Å; F28-F102 HydrophobicContact CG-CB 4.36Å; F28-F102 AromaticContact CG-CD1 3.25Å; F28-F102 HydrophobicContact CG-CD1 3.25Å; F28-F102 HydrophobicContact CG-CD2 4.38Å; F28-F102 AromaticContact CG-CE1 3.41Å; F28-F102 HydrophobicContact CG-CE1 3.41Å; F28-F102 VanDerWaalsContact CG-CE1 3.41Å; F28-F102 AromaticContact CG-CG 3.77Å; F28-F102 HydrophobicContact CG-CG 3.77Å; F28-F102 HydrophobicContact CG-CZ 4.1Å; F28-F102 AromaticContact CZ-CD1 3.88Å; F28-F102 HydrophobicContact CZ-CD1 3.88Å; F28-F102 AromaticContact CZ-CE1 3.99Å; F28-F102 HydrophobicContact CZ-CE1 3.99Å; F28-L105 HydrophobicContact CD2-CD2 4.2Å; F28-L105 HydrophobicContact CE2-CB 4.43Å; F28-L105 HydrophobicContact CE2-CD1 4.33Å; F28-L105 HydrophobicContact CE2-CD2 4.25Å; F28-V140 HydrophobicContact CE2-CG2 4.14Å; F28-V140 HydrophobicContact CZ-CG1 4.48Å
29I94.5Very high91.1Very high18 Ų1869.3 Ų69.39%0.09235%0.347CS..Hα-helixtrans-56.9-47.7178.1-70.4166.4000110.4L21 V25 V27 D31 V32 E33 A59 K60 A63L21-I29 HydrophobicContact CD1-CD1 3.9Å; V25-I29 HydrophobicContact CG1-CD1 3.79Å; V25-I29 HydrophobicContact CG1-CG1 4.43Å; V25-I29 VanDerWaalsContact O-CG1 3.28Å; V25-I29 WeakPolarHBondContact O-CG1 3.29Å; V25-I29 PolarHBondContact O-N 3.24Å; V27-I29 PolarHBondContact O-N 2.85Å; I29-D31 VanDerWaalsContact C-N 3.29Å; I29-D31 PolarHBondContact O-N 2.95Å; I29-V32 PolarHBondContact O-N 3.37Å; I29-E33 HydrophobicContact CG2-CG 4.23Å; I29-E33 WeakPolarHBondContact O-CB 3.23Å; I29-E33 VanDerWaalsContact O-CG 3.3Å; I29-E33 WeakPolarHBondContact O-CG 3.2Å; I29-E33 PolarHBondContact O-N 3.15Å; I29-A59 HydrophobicContact CB-CB 4.46Å; I29-A59 HydrophobicContact CG1-CB 4.31Å; I29-A59 HydrophobicContact CG2-CB 4.08Å; I29-K60 HydrophobicContact CD1-CB 4.11Å; I29-K60 HydrophobicContact CD1-CG 4.31Å; I29-A63 HydrophobicContact CD1-CB 4.26Å; I29-A63 HydrophobicContact CG1-CB 3.98Å
30K94.3Very high92.7Very high150 Ų15065.6 Ų65.665%0.65232%0.324SS*.Hα-helixtrans-60.9-37.3179.2-176.1-176.8177.4-175.10112.6K26 V27 F28K26-K30 PolarHBondContact O-N 3.16Å; V27-K30 WeakPolarHBondContact O-CB 3.28Å; V27-K30 PolarHBondContact O-N 3.18Å; V27-K30 VanDerWaalsContact O-N 3.16Å; F28-K30 VanDerWaalsContact C-N 3.31Å; F28-K30 PolarHBondContact O-N 2.89Å
31D94.1Very high93.5Very high52 Ų5258.8 Ų58.828%0.27829%0.288SS..Hα-helixtrans-73.9-37.5178.5-74.2-29.1000112.4V27 F28 I29 K34 Y35 L105V27-D31 PolarHBondContact O-N 3.17Å; F28-D31 PolarHBondContact O-N 2.66Å; F28-D31 VanDerWaalsContact O-N 3.15Å; I29-D31 VanDerWaalsContact C-N 3.29Å; I29-D31 PolarHBondContact O-N 2.95Å; D31-K34 WeakPolarHBondContact O-CB 3.36Å; D31-K34 PolarHBondContact O-N 3.38Å; D31-K34 WeakPolarHBondContact OD1-CE 3.42Å; D31-K34 IonicContact OD1-NZ 3.51Å; D31-K34 PolarHBondContact OD1-NZ 2.94Å; D31-Y35 WeakPolarHBondContact O-CE2 3.5Å; D31-L105 HydrophobicContact CB-CD2 3.74Å
32V93.1Very high94.1Very high0 Ų057.2 Ų57.20%028%0.28CS..Hα-helixtrans-68-39.3175.7172.50000111.8F28 I29 K34 Y35 I38 T56 A59 L105F28-V32 HydrophobicContact CD1-CG2 4.18Å; F28-V32 HydrophobicContact CD2-CG2 4Å; F28-V32 HydrophobicContact CE1-CG2 3.79Å; F28-V32 HydrophobicContact CE2-CG2 3.58Å; F28-V32 HydrophobicContact CG-CG2 4.3Å; F28-V32 HydrophobicContact CZ-CG2 3.48Å; F28-V32 VanDerWaalsContact CZ-CG2 3.48Å; F28-V32 VanDerWaalsContact O-CG2 3.31Å; F28-V32 WeakPolarHBondContact O-CG2 3.36Å; F28-V32 PolarHBondContact O-N 2.97Å; I29-V32 PolarHBondContact O-N 3.37Å; V32-K34 PolarHBondContact O-N 3.41Å; V32-Y35 PolarHBondContact O-N 3.35Å; V32-I38 HydrophobicContact CB-CD1 4.38Å; V32-I38 HydrophobicContact CG1-CB 4.14Å; V32-I38 HydrophobicContact CG1-CD1 3.79Å; V32-I38 HydrophobicContact CG1-CG2 4.19Å; V32-I38 HydrophobicContact CG2-CD1 3.6Å; V32-T56 HydrophobicContact CG1-CG2 3.62Å; V32-T56 VanDerWaalsContact O-CG2 3.32Å; V32-T56 WeakPolarHBondContact O-CG2 3.46Å; V32-A59 HydrophobicContact CB-CB 4.26Å; V32-A59 HydrophobicContact CG1-CB 3.92Å; V32-L105 HydrophobicContact CG2-CD1 3.98Å; V32-L105 HydrophobicContact CG2-CD2 3.94Å
33E93Very high94.4Very high115 Ų11554.1 Ų54.154%0.53726%0.258SS..THydrogen-bonded Turntrans-66.1-7-179.4-76.1178.6164.800114.3I29 Y35 A59I29-E33 HydrophobicContact CG2-CG 4.23Å; I29-E33 WeakPolarHBondContact O-CB 3.23Å; I29-E33 VanDerWaalsContact O-CG 3.3Å; I29-E33 WeakPolarHBondContact O-CG 3.2Å; I29-E33 PolarHBondContact O-N 3.15Å; E33-Y35 PolarHBondContact O-N 3.5Å; E33-A59 HydrophobicContact CG-CB 4.33Å
34K92.4Very high94.7Very high136 Ų13648.2 Ų48.259%0.59123%0.226SC*.THydrogen-bonded Turntrans-70.5-17.1169-63.5169.6-178.5164.10113D31 V32D31-K34 WeakPolarHBondContact O-CB 3.36Å; D31-K34 PolarHBondContact O-N 3.38Å; D31-K34 WeakPolarHBondContact OD1-CE 3.42Å; D31-K34 IonicContact OD1-NZ 3.51Å; D31-K34 PolarHBondContact OD1-NZ 2.94Å; V32-K34 PolarHBondContact O-N 3.41Å
35Y94.5Very high94.9Very high46 Ų4642 Ų4218%0.1820%0.197CC..SBendtrans-111.6163.6-177-55.4-90.1000111.1D31 V32 E33 T56 P107 S136 C138D31-Y35 WeakPolarHBondContact O-CE2 3.5Å; V32-Y35 PolarHBondContact O-N 3.35Å; E33-Y35 PolarHBondContact O-N 3.5Å; Y35-T56 VanDerWaalsContact O-CB 3.28Å; Y35-T56 WeakPolarHBondContact O-CB 3.41Å; Y35-T56 WeakPolarHBondContact O-CG2 3.35Å; Y35-T56 PolarHBondContact O-OG1 2.88Å; Y35-P107 HydrophobicContact CE1-CB 4.08Å; Y35-S136 VanDerWaalsContact CA-OG 3.29Å; Y35-S136 WeakPolarHBondContact CA-OG 3.38Å; Y35-C138 HydrophobicContact CD1-CB 3.95Å; Y35-C138 HydrophobicContact CD2-CB 3.65Å; Y35-C138 HydrophobicContact CE1-CB 4.11Å; Y35-C138 HydrophobicContact CE2-CB 3.82Å; Y35-C138 HydrophobicContact CG-CB 3.72Å
36D94.3Very high95.1Very high69 Ų6941.1 Ų41.137%0.36919%0.192SC..SBendtrans-83.2-37.5175.6-64-80.4000112.1T56 Y135 S136D36-T56 PolarHBondContact O-N 3.03Å; D36-T56 PolarHBondContact O-OG1 2.95Å; D36-Y135 HydrophobicContact CB-CD1 4.29Å; D36-Y135 WeakPolarHBondContact OD2-CA 3.18Å; D36-S136 WeakPolarHBondContact CB-O 3.2Å; D36-S136 PolarHBondContact N-O 2.88Å; D36-S136 VanDerWaalsContact N-O 3.1Å; D36-S136 PolarHBondContact N-OG 2.85Å; D36-S136 PolarHBondContact OD2-N 2.72Å; D36-S136 PolarHBondContact OD2-OG 2.98Å
37F95.4Very high95.2Very high51 Ų5137 Ų3722%0.22418%0.176CC..EExtended strand (participates in β ladder)trans-135.9148.8-179.1-64.3-91.5000112.3L53 L54 P55 Y135 S136 F137 C138F37-L53 HydrophobicContact CB-CD1 3.78Å; F37-L53 HydrophobicContact CB-CG 4.24Å; F37-L53 HydrophobicContact CD1-CD2 4.19Å; F37-L53 HydrophobicContact CD1-CG 4.09Å; F37-L53 HydrophobicContact CG-CD1 4.47Å; F37-L53 HydrophobicContact CG-CG 4.47Å; F37-L54 CarbonylContact C-O 3.51Å; F37-L54 VanDerWaalsContact CA-O 3.31Å; F37-L54 WeakPolarHBondContact CA-O 3.44Å; F37-P55 HydrophobicContact CD1-CB 4.46Å; F37-P55 HydrophobicContact CD1-CG 4.3Å; F37-P55 HydrophobicContact CE1-CB 4.34Å; F37-P55 HydrophobicContact CE1-CG 3.95Å; F37-Y135 HydrophobicContact CE2-CD1 4.17Å; F37-Y135 HydrophobicContact CE2-CD2 4.44Å; F37-Y135 HydrophobicContact CE2-CG 4.04Å; F37-S136 PolarHBondContact N-O 2.99Å; F37-S136 VanDerWaalsContact N-O 3.15Å; F37-F137 HydrophobicContact CB-CD1 3.62Å; F37-F137 HydrophobicContact CB-CE1 3.74Å; F37-F137 HydrophobicContact CD2-CD1 4.41Å; F37-F137 AromaticContact CD2-CE1 3.8Å; F37-F137 HydrophobicContact CD2-CE1 3.8Å; F37-F137 HydrophobicContact CD2-CZ 4.12Å; F37-F137 HydrophobicContact CG-CD1 4.32Å; F37-F137 AromaticContact CG-CE1 3.93Å; F37-F137 HydrophobicContact CG-CE1 3.93Å; F37-F137 WeakPolarHBondContact O-CA 3.44Å; F37-C138 PolarHBondContact O-N 2.94Å
38I95.4Very high95.2Very high1 Ų133.6 Ų33.61%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-120.8133.7172.6-177.2157000110.4F28 V32 L40 L54 T56 L62 L105 C138 V140F28-I38 HydrophobicContact CZ-CD1 4.11Å; V32-I38 HydrophobicContact CB-CD1 4.38Å; V32-I38 HydrophobicContact CG1-CB 4.14Å; V32-I38 HydrophobicContact CG1-CD1 3.79Å; V32-I38 HydrophobicContact CG1-CG2 4.19Å; V32-I38 HydrophobicContact CG2-CD1 3.6Å; I38-L40 HydrophobicContact CG1-CD2 4.23Å; I38-L54 HydrophobicContact CG2-CB 4.27Å; I38-L54 PolarHBondContact N-O 2.98Å; I38-L54 PolarHBondContact O-N 3.12Å; I38-T56 HydrophobicContact CB-CG2 4.27Å; I38-T56 HydrophobicContact CG2-CG2 4.33Å; I38-L62 HydrophobicContact CD1-CD2 3.61Å; I38-L62 HydrophobicContact CG1-CD2 4.21Å; I38-L62 HydrophobicContact CG2-CD2 3.85Å; I38-L105 HydrophobicContact CD1-CD1 4Å; I38-C138 CarbonylContact C-O 3.54Å; I38-C138 WeakPolarHBondContact CA-O 3.19Å; I38-V140 HydrophobicContact CD1-CB 4.27Å; I38-V140 HydrophobicContact CD1-CG1 3.8Å; I38-V140 HydrophobicContact CG1-CG1 4.2Å
39R96Very high95.2Very high42 Ų4235 Ų3516%0.15816%0.161CC..EExtended strand (participates in β ladder)trans-96.6118.3173.3-174-167.5-72.9-168.4-6.3109.6S41 S51 K52 L53 C138 S139 V140 E285R39-S41 VanDerWaalsContact CD-OG 3.31Å; R39-S41 WeakPolarHBondContact CD-OG 3.09Å; R39-S41 WeakPolarHBondContact CG-OG 3.44Å; R39-S51 WeakPolarHBondContact CD-OG 3.49Å; R39-S51 WeakPolarHBondContact CG-OG 3.46Å; R39-K52 WeakPolarHBondContact CA-O 3.43Å; R39-L53 HydrophobicContact CB-CD1 4.4Å; R39-C138 PolarHBondContact N-O 2.89Å; R39-S139 CarbonylContact O-C 3.44Å; R39-S139 VanDerWaalsContact O-CA 3.23Å; R39-S139 WeakPolarHBondContact O-CA 3.22Å; R39-S139 PolarHBondContact O-OG 2.8Å; R39-V140 PolarHBondContact O-N 2.98Å; R39-E285 IonicContact CZ-OE1 2.98Å; R39-E285 VanDerWaalsContact CZ-OE1 3.24Å; R39-E285 IonicContact NH1-OE1 2.68Å; R39-E285 PolarHBondContact NH1-OE1 3.35Å; R39-E285 IonicContact NH1-OE2 3Å; R39-E285 IonicContact NH2-OE1 2.77Å; R39-E285 PolarHBondContact NH2-OE1 3.27Å; R39-E285 IonicContact NH2-OE2 3.4Å
40L96.7Very high95.2Very high0 Ų034.9 Ų34.90%016%0.161CC..EExtended strand (participates in β ladder)trans-85118.6170-52.7-169.2000108.3I38 S51 K52 L54 L62 V67 L98 V140I38-L40 HydrophobicContact CG1-CD2 4.23Å; L40-S51 CarbonylContact O-C 3.39Å; L40-S51 WeakPolarHBondContact O-CA 3.28Å; L40-S51 WeakPolarHBondContact O-CB 3.5Å; L40-S51 PolarHBondContact O-OG 3.47Å; L40-K52 HydrophobicContact CB-CB 4.49Å; L40-K52 PolarHBondContact N-O 3.35Å; L40-K52 PolarHBondContact O-N 3.29Å; L40-L54 HydrophobicContact CD1-CD1 3.55Å; L40-L54 HydrophobicContact CD2-CD1 4.47Å; L40-L54 HydrophobicContact CG-CD1 3.6Å; L40-L62 HydrophobicContact CD1-CD1 3.42Å; L40-L62 VanDerWaalsContact CD1-CD1 3.42Å; L40-L62 HydrophobicContact CD2-CD1 3.2Å; L40-L62 HydrophobicContact CD2-CD2 3.67Å; L40-L62 HydrophobicContact CD2-CG 4.05Å; L40-L62 HydrophobicContact CG-CD1 3.89Å; L40-V67 HydrophobicContact CD1-CB 3.84Å; L40-V67 HydrophobicContact CD1-CG1 3.61Å; L40-V67 HydrophobicContact CD1-CG2 4.01Å; L40-L98 HydrophobicContact CB-CD1 4.29Å; L40-L98 HydrophobicContact CD1-CD1 4.03Å; L40-V140 HydrophobicContact CD2-CG1 3.62Å
41S96.9Very high95.3Very high0 Ų030.1 Ų30.10%015%0.147CC..EExtended strand (participates in β ladder)trans-121.1139.1-167.1-670000111R39 H49 L50 S51 S139 V140 L141 C142R39-S41 VanDerWaalsContact CD-OG 3.31Å; R39-S41 WeakPolarHBondContact CD-OG 3.09Å; R39-S41 WeakPolarHBondContact CG-OG 3.44Å; S41-H49 WeakPolarHBondContact CB-CE1 3.28Å; S41-H49 PolarHBondContact OG-CE1 3.46Å; S41-L50 WeakPolarHBondContact CA-O 3.48Å; S41-S51 PolarHBondContact OG-OG 3.36Å; S41-S139 PolarHBondContact OG-OG 2.77Å; S41-V140 PolarHBondContact N-O 3.01Å; S41-L141 CarbonylContact O-C 3.45Å; S41-L141 VanDerWaalsContact O-CA 3.27Å; S41-L141 WeakPolarHBondContact O-CA 3.48Å; S41-C142 PolarHBondContact O-N 2.89Å
42L97.1Very high95.3Very high0 Ų031.6 Ų31.60%015%0.15CC..EExtended strand (participates in β ladder)trans-154.2138.7-177.862.7166.9000110.7L50 I69 I74 L98 V144 Y155 F277L42-L50 HydrophobicContact CD2-CB 3.81Å; L42-L50 HydrophobicContact CG-CB 3.96Å; L42-L50 PolarHBondContact N-O 3.33Å; L42-L50 VanDerWaalsContact N-O 3.08Å; L42-L50 WeakPolarHBondContact O-CB 3.32Å; L42-L50 PolarHBondContact O-N 2.86Å; L42-I69 HydrophobicContact CD1-CD1 4.34Å; L42-I69 HydrophobicContact CD2-CD1 4.38Å; L42-I74 HydrophobicContact CD1-CG2 4.16Å; L42-L98 HydrophobicContact CD1-CD2 3.84Å; L42-V144 HydrophobicContact CD1-CG2 3.52Å; L42-Y155 HydrophobicContact CB-CE2 4.2Å; L42-Y155 WeakPolarHBondContact CB-OH 3.41Å; L42-Y155 HydrophobicContact CD1-CE2 4.44Å; L42-F277 VanDerWaalsContact C-CZ 3.46Å
43P97Very high95.4Very high0 Ų036.3 Ų36.30%018%0.175CC..EExtended strand (participates in β ladder)trans-67.9140.7166.128.6-41.1000111.7I48 Y155 P156 F277 Y410P43-I48 WeakPolarHBondContact CA-O 3.48Å; P43-Y155 VanDerWaalsContact CD-OH 3.22Å; P43-Y155 WeakPolarHBondContact CD-OH 3.39Å; P43-Y155 HydrophobicContact CG-CE2 4.2Å; P43-Y155 VanDerWaalsContact O-CE2 3.26Å; P43-Y155 WeakPolarHBondContact O-CE2 3.37Å; P43-P156 HydrophobicContact CB-CB 4.31Å; P43-P156 HydrophobicContact CB-CG 4.27Å; P43-P156 HydrophobicContact CG-CB 4.05Å; P43-P156 HydrophobicContact CG-CG 4.29Å; P43-F277 HydrophobicContact CB-CD2 4.23Å; P43-F277 HydrophobicContact CB-CE2 3.69Å; P43-F277 HydrophobicContact CB-CZ 4.04Å; P43-F277 VanDerWaalsContact N-CZ 3.3Å; P43-Y410 HydrophobicContact CB-CD2 3.99Å; P43-Y410 HydrophobicContact CB-CE2 3.85Å; P43-Y410 HydrophobicContact CG-CD2 3.73Å; P43-Y410 HydrophobicContact CG-CE2 3.48Å; P43-Y410 VanDerWaalsContact CG-CE2 3.48Å
44D96.4Very high95.5Very high1 Ų132 Ų321%0.00516%0.156CC..  trans-85.1-179.2157.484.9-19.3000111.1N46 G47 I48 L50 P156D44-N46 PolarHBondContact O-N 3Å; D44-N46 VanDerWaalsContact OD1-CA 3.29Å; D44-N46 WeakPolarHBondContact OD1-CA 3.25Å; D44-N46 WeakPolarHBondContact OD1-CB 3.39Å; D44-N46 PolarHBondContact OD1-N 3.06Å; D44-N46 PolarHBondContact OD2-ND2 2.89Å; D44-G47 PolarHBondContact O-N 3.41Å; D44-G47 PolarHBondContact OD1-N 2.87Å; D44-I48 PolarHBondContact N-O 2.95Å; D44-I48 WeakPolarHBondContact OD1-CA 3.4Å; D44-I48 WeakPolarHBondContact OD1-CB 3.3Å; D44-I48 PolarHBondContact OD1-N 2.8Å; D44-L50 HydrophobicContact CB-CD1 3.81Å; D44-L50 HydrophobicContact CB-CG 4.06Å; D44-P156 VanDerWaalsContact O-CG 3.32Å; D44-P156 WeakPolarHBondContact O-CG 3.09Å
45I96.8Very high95.6Very high1 Ų126.8 Ų26.81%0.00514%0.136CC..THydrogen-bonded Turntrans-61.4-23.5176.4-83.2178000113.4G47 I74 A75 H411 W476 Y477 V480I45-G47 VanDerWaalsContact C-N 3.29Å; I45-I74 WeakPolarHBondContact CB-O 3.3Å; I45-I74 WeakPolarHBondContact CG1-O 3.42Å; I45-I74 PolarHBondContact N-O 2.91Å; I45-A75 HydrophobicContact CD1-CB 4.13Å; I45-H411 PolarHBondContact O-CE1 3.48Å; I45-W476 HydrophobicContact CD1-CB 3.43Å; I45-W476 VanDerWaalsContact CD1-CB 3.43Å; I45-W476 HydrophobicContact CD1-CD2 4.41Å; I45-W476 HydrophobicContact CD1-CE3 3.86Å; I45-W476 HydrophobicContact CD1-CG 4.34Å; I45-Y477 HydrophobicContact CG2-CD2 3.84Å; I45-Y477 HydrophobicContact CG2-CE2 4.48Å; I45-V480 HydrophobicContact CB-CG2 4.38Å; I45-V480 HydrophobicContact CD1-CG2 4.29Å; I45-V480 HydrophobicContact CG2-CB 3.87Å; I45-V480 HydrophobicContact CG2-CG1 3.99Å; I45-V480 HydrophobicContact CG2-CG2 3.86Å
46N96Very high95.6Very high1 Ų125.3 Ų25.31%0.00513%0.131CC..THydrogen-bonded Turntrans-84-7.7174.8-58.7-67.2000112.5D44 I48 F76 V480 K481 M513D44-N46 PolarHBondContact O-N 3Å; D44-N46 VanDerWaalsContact OD1-CA 3.29Å; D44-N46 WeakPolarHBondContact OD1-CA 3.25Å; D44-N46 WeakPolarHBondContact OD1-CB 3.39Å; D44-N46 PolarHBondContact OD1-N 3.06Å; D44-N46 PolarHBondContact OD2-ND2 2.89Å; N46-I48 VanDerWaalsContact C-N 3.27Å; N46-I48 HydrophobicContact CB-CD1 3.86Å; N46-I48 HydrophobicContact CB-CG1 3.94Å; N46-F76 PolarHBondContact ND2-O 3.5Å; N46-V480 WeakPolarHBondContact OD1-CG1 3.42Å; N46-K481 PolarHBondContact OD1-NZ 2.67Å; N46-M513 HydrophobicContact CB-CE 4.18Å
47G95.7Very high95.6Very high7 Ų731 Ų317%0.07215%0.148CC..  trans78.411.9-170.200000113.3D44 I45D44-G47 PolarHBondContact O-N 3.41Å; D44-G47 PolarHBondContact OD1-N 2.87Å; I45-G47 VanDerWaalsContact C-N 3.29Å
48I95.2Very high95.4Very high12 Ų1232.3 Ų32.36%0.06215%0.154CC..  trans-72.9139.7174.4-63.6168.5000108.8P43 D44 N46 L50 F80 F512P43-I48 WeakPolarHBondContact CA-O 3.48Å; D44-I48 PolarHBondContact N-O 2.95Å; D44-I48 WeakPolarHBondContact OD1-CA 3.4Å; D44-I48 WeakPolarHBondContact OD1-CB 3.3Å; D44-I48 PolarHBondContact OD1-N 2.8Å; N46-I48 VanDerWaalsContact C-N 3.27Å; N46-I48 HydrophobicContact CB-CD1 3.86Å; N46-I48 HydrophobicContact CB-CG1 3.94Å; I48-L50 PolarHBondContact O-N 2.88Å; I48-F80 HydrophobicContact CG2-CE2 4.3Å; I48-F80 HydrophobicContact CG2-CZ 3.89Å; I48-F512 HydrophobicContact CD1-CB 3.88Å; I48-F512 HydrophobicContact CG1-CB 4.31Å
49H94.4Very high95.1Very high33 Ų3332.3 Ų32.315%0.15315%0.153CC..EExtended strand (participates in β ladder)trans-80.4105-178.5-159.6-70.7000110.8S41 S51 F277S41-H49 WeakPolarHBondContact CB-CE1 3.28Å; S41-H49 PolarHBondContact OG-CE1 3.46Å; H49-S51 PolarHBondContact CE1-OG 2.86Å; H49-S51 PolarHBondContact ND1-OG 2.94Å; H49-F277 HydrophobicContact CB-CE2 4.01Å; H49-F277 HydrophobicContact CB-CZ 3.87Å; H49-F277 AromaticContact CD2-CD1 3.76Å; H49-F277 AromaticContact CD2-CE1 3.13Å; H49-F277 WeakPolarHBondContact CD2-CE1 3.49Å; H49-F277 AromaticContact CD2-CE2 3.65Å; H49-F277 AromaticContact CD2-CZ 3.07Å; H49-F277 WeakPolarHBondContact CD2-CZ 3.43Å; H49-F277 AromaticContact CG-CE1 3.9Å; H49-F277 AromaticContact CG-CZ 3.43Å; H49-F277 VanDerWaalsContact CG-CZ 3.43Å; H49-F277 AromaticContact NE2-CD1 3.97Å; H49-F277 AromaticContact NE2-CE1 3.31Å; H49-F277 VanDerWaalsContact NE2-CE1 3.31Å; H49-F277 WeakPolarHBondContact NE2-CE1 3.22Å; H49-F277 AromaticContact NE2-CZ 3.71Å
50L95.6Very high94.7Very high15 Ų1533.1 Ų33.18%0.07916%0.158CC..EExtended strand (participates in β ladder)trans-89.4150.8171.7-54.5-177.2000109.8S41 L42 D44 I48 S73 F80S41-L50 WeakPolarHBondContact CA-O 3.48Å; L42-L50 HydrophobicContact CD2-CB 3.81Å; L42-L50 HydrophobicContact CG-CB 3.96Å; L42-L50 PolarHBondContact N-O 3.33Å; L42-L50 VanDerWaalsContact N-O 3.08Å; L42-L50 WeakPolarHBondContact O-CB 3.32Å; L42-L50 PolarHBondContact O-N 2.86Å; D44-L50 HydrophobicContact CB-CD1 3.81Å; D44-L50 HydrophobicContact CB-CG 4.06Å; I48-L50 PolarHBondContact O-N 2.88Å; L50-S73 WeakPolarHBondContact CD1-O 3.41Å; L50-F80 HydrophobicContact CD2-CE1 3.48Å; L50-F80 VanDerWaalsContact CD2-CE1 3.48Å; L50-F80 HydrophobicContact CD2-CZ 3.93Å
51S94.9Very high94.4Very high51 Ų5137.7 Ų37.736%0.35718%0.178SC..EExtended strand (participates in β ladder)trans-153.8155174-68.70000115.9R39 L40 S41 H49R39-S51 WeakPolarHBondContact CD-OG 3.49Å; R39-S51 WeakPolarHBondContact CG-OG 3.46Å; L40-S51 CarbonylContact O-C 3.39Å; L40-S51 WeakPolarHBondContact O-CA 3.28Å; L40-S51 WeakPolarHBondContact O-CB 3.5Å; L40-S51 PolarHBondContact O-OG 3.47Å; S41-S51 PolarHBondContact OG-OG 3.36Å; H49-S51 PolarHBondContact CE1-OG 2.86Å; H49-S51 PolarHBondContact ND1-OG 2.94Å
52K94.7Very high93.9Very high82 Ų8237.8 Ų37.836%0.35718%0.179SC..EExtended strand (participates in β ladder)trans-120.7132.3162.8-72.5-167171.2-167.10110.4R39 L40 L54 V67 E68R39-K52 WeakPolarHBondContact CA-O 3.43Å; L40-K52 HydrophobicContact CB-CB 4.49Å; L40-K52 PolarHBondContact N-O 3.35Å; L40-K52 PolarHBondContact O-N 3.29Å; K52-L54 HydrophobicContact CB-CD1 4.11Å; K52-V67 HydrophobicContact CD-CG1 4.34Å; K52-E68 WeakPolarHBondContact CE-O 3.35Å; K52-E68 PolarHBondContact NZ-O 3.39Å
53L94.5Very high93.6Very high99 Ų9938.4 Ų38.452%0.51818%0.183SC..EExtended strand (participates in β ladder)trans-96.1128.4175.9-171.370.2000109.9F37 R39 F137F37-L53 HydrophobicContact CB-CD1 3.78Å; F37-L53 HydrophobicContact CB-CG 4.24Å; F37-L53 HydrophobicContact CD1-CD2 4.19Å; F37-L53 HydrophobicContact CD1-CG 4.09Å; F37-L53 HydrophobicContact CG-CD1 4.47Å; F37-L53 HydrophobicContact CG-CG 4.47Å; R39-L53 HydrophobicContact CB-CD1 4.4Å; L53-F137 HydrophobicContact CD1-CD1 4.06Å; L53-F137 HydrophobicContact CD1-CE1 4.23Å; L53-F137 HydrophobicContact CD2-CE1 4.22Å
54L95Very high93.1Very high26 Ų2641.6 Ų41.614%0.13620%0.199CC..EExtended strand (participates in β ladder)trans-128.3144177.2-66.395.4000111F37 I38 L40 K52 V67F37-L54 CarbonylContact C-O 3.51Å; F37-L54 VanDerWaalsContact CA-O 3.31Å; F37-L54 WeakPolarHBondContact CA-O 3.44Å; I38-L54 HydrophobicContact CG2-CB 4.27Å; I38-L54 PolarHBondContact N-O 2.98Å; I38-L54 PolarHBondContact O-N 3.12Å; L40-L54 HydrophobicContact CD1-CD1 3.55Å; L40-L54 HydrophobicContact CD2-CD1 4.47Å; L40-L54 HydrophobicContact CG-CD1 3.6Å; K52-L54 HydrophobicContact CB-CD1 4.11Å; L54-V67 HydrophobicContact CD1-CG1 4.35Å; L54-V67 HydrophobicContact CD2-CG1 4.33Å; L54-V67 HydrophobicContact CD2-CG2 3.79Å
55P96Very high92.6Very high26 Ų2642 Ų4217%0.16920%0.204CC..EExtended strand (participates in β ladder)trans-61136.2163.9-21.732.4000111.3F37 R57 F58F37-P55 HydrophobicContact CD1-CB 4.46Å; F37-P55 HydrophobicContact CD1-CG 4.3Å; F37-P55 HydrophobicContact CE1-CB 4.34Å; F37-P55 HydrophobicContact CE1-CG 3.95Å; P55-R57 HydrophobicContact CB-CG 3.87Å; P55-R57 PolarHBondContact O-N 3.36Å; P55-F58 HydrophobicContact CB-CD2 4.02Å; P55-F58 HydrophobicContact CB-CE2 4.22Å; P55-F58 HydrophobicContact CG-CD2 4.11Å; P55-F58 HydrophobicContact CG-CE2 4.02Å; P55-F58 PolarHBondContact O-N 3.32Å
56T94Very high92.2Very high14 Ų1446.3 Ų46.39%0.08622%0.224CC..G310 helixtrans-66.6-18.3-177.953.40000113.9V32 Y35 D36 I38 F58 A59V32-T56 HydrophobicContact CG1-CG2 3.62Å; V32-T56 VanDerWaalsContact O-CG2 3.32Å; V32-T56 WeakPolarHBondContact O-CG2 3.46Å; Y35-T56 VanDerWaalsContact O-CB 3.28Å; Y35-T56 WeakPolarHBondContact O-CB 3.41Å; Y35-T56 WeakPolarHBondContact O-CG2 3.35Å; Y35-T56 PolarHBondContact O-OG1 2.88Å; D36-T56 PolarHBondContact O-N 3.03Å; D36-T56 PolarHBondContact O-OG1 2.95Å; I38-T56 HydrophobicContact CB-CG2 4.27Å; I38-T56 HydrophobicContact CG2-CG2 4.33Å; T56-F58 PolarHBondContact O-N 3.2Å; T56-A59 WeakPolarHBondContact O-CB 3.24Å; T56-A59 PolarHBondContact O-N 2.85Å
57R93.4Very high92Very high188 Ų18846.7 Ų46.771%0.70923%0.226SC*.G310 helixtrans-57.1-12.1167.465.8172.4-179.3-93.11.4114.2P55P55-R57 HydrophobicContact CB-CG 3.87Å; P55-R57 PolarHBondContact O-N 3.36Å
58F92.9Very high92Very high80 Ų8051 Ų5135%0.35125%0.245SC..G310 helixtrans-102.318.5172-57.6-62.2000113.1P55 T56 K60 K61 L62P55-F58 HydrophobicContact CB-CD2 4.02Å; P55-F58 HydrophobicContact CB-CE2 4.22Å; P55-F58 HydrophobicContact CG-CD2 4.11Å; P55-F58 HydrophobicContact CG-CE2 4.02Å; P55-F58 PolarHBondContact O-N 3.32Å; T56-F58 PolarHBondContact O-N 3.2Å; F58-K60 VanDerWaalsContact C-N 3.27Å; F58-K60 PolarHBondContact O-N 3.41Å; F58-K61 WeakPolarHBondContact O-CB 3.45Å; F58-K61 PolarHBondContact O-N 3.42Å; F58-K61 VanDerWaalsContact O-N 3.14Å; F58-L62 PolarHBondContact O-N 2.99Å
59A88.2Confident92Very high0 Ų051.1 Ų51.10%025%0.245CC..Hα-helixtrans-56.8-36.3-177.500000113.1I29 V32 E33 T56 L62 A63I29-A59 HydrophobicContact CB-CB 4.46Å; I29-A59 HydrophobicContact CG1-CB 4.31Å; I29-A59 HydrophobicContact CG2-CB 4.08Å; V32-A59 HydrophobicContact CB-CB 4.26Å; V32-A59 HydrophobicContact CG1-CB 3.92Å; E33-A59 HydrophobicContact CG-CB 4.33Å; T56-A59 WeakPolarHBondContact O-CB 3.24Å; T56-A59 PolarHBondContact O-N 2.85Å; A59-L62 WeakPolarHBondContact O-CB 3.47Å; A59-L62 PolarHBondContact O-N 2.92Å; A59-A63 WeakPolarHBondContact O-CB 3.32Å; A59-A63 PolarHBondContact O-N 2.94Å
60K88.4Confident92Very high59 Ų5952.5 Ų52.526%0.25725%0.25SC..Hα-helixtrans-61.1-50.9174.8-173.8177.5178.9-177.20112.2E16 L21 I29 F58 L62 A63 M64E16-K60 WeakPolarHBondContact OE2-CD 3.38Å; E16-K60 WeakPolarHBondContact OE2-CE 3.46Å; E16-K60 IonicContact OE2-NZ 2.81Å; E16-K60 PolarHBondContact OE2-NZ 3.3Å; L21-K60 HydrophobicContact CD1-CG 4.42Å; I29-K60 HydrophobicContact CD1-CB 4.11Å; I29-K60 HydrophobicContact CD1-CG 4.31Å; F58-K60 VanDerWaalsContact C-N 3.27Å; F58-K60 PolarHBondContact O-N 3.41Å; K60-L62 PolarHBondContact O-N 2.95Å; K60-A63 PolarHBondContact O-N 3.46Å; K60-M64 HydrophobicContact CG-SD 4.03Å; K60-M64 VanDerWaalsContact O-CG 3.31Å; K60-M64 WeakPolarHBondContact O-CG 3.5Å; K60-M64 PolarHBondContact O-N 3.02Å
61K89.1Confident91.9Very high97 Ų9751.9 Ų51.942%0.42225%0.246SC..Hα-helixtrans-55.6-42.7175.3-179.2-178.7177.5172.20111.2F58 Q66F58-K61 WeakPolarHBondContact O-CB 3.45Å; F58-K61 PolarHBondContact O-N 3.42Å; F58-K61 VanDerWaalsContact O-N 3.14Å; K61-Q66 WeakPolarHBondContact CE-O 3.4Å; K61-Q66 HydrophobicContact CG-CB 3.66Å; K61-Q66 WeakPolarHBondContact O-CB 3.18Å; K61-Q66 PolarHBondContact O-N 3Å; K61-Q66 VanDerWaalsContact O-N 3.12Å
62L87.5Confident91.9Very high2 Ų249.6 Ų49.61%0.0123%0.231CC..Hα-helixtrans-61.1-53.9177171.362.6000112F28 I38 L40 F58 A59 K60 M64 G65 V67 P100F28-L62 HydrophobicContact CE1-CD2 3.9Å; F28-L62 HydrophobicContact CE1-CG 4.17Å; F28-L62 HydrophobicContact CZ-CD2 3.82Å; F28-L62 HydrophobicContact CZ-CG 4.37Å; I38-L62 HydrophobicContact CD1-CD2 3.61Å; I38-L62 HydrophobicContact CG1-CD2 4.21Å; I38-L62 HydrophobicContact CG2-CD2 3.85Å; L40-L62 HydrophobicContact CD1-CD1 3.42Å; L40-L62 VanDerWaalsContact CD1-CD1 3.42Å; L40-L62 HydrophobicContact CD2-CD1 3.2Å; L40-L62 HydrophobicContact CD2-CD2 3.67Å; L40-L62 HydrophobicContact CD2-CG 4.05Å; L40-L62 HydrophobicContact CG-CD1 3.89Å; F58-L62 PolarHBondContact O-N 2.99Å; A59-L62 WeakPolarHBondContact O-CB 3.47Å; A59-L62 PolarHBondContact O-N 2.92Å; K60-L62 PolarHBondContact O-N 2.95Å; L62-M64 PolarHBondContact O-N 2.93Å; L62-G65 PolarHBondContact O-N 3.23Å; L62-V67 HydrophobicContact CD1-CG2 4.06Å; L62-P100 HydrophobicContact CD1-CG 4.22Å; L62-P100 HydrophobicContact CG-CG 4.23Å
63A89.7Confident91.8Very high12 Ų1246.1 Ų46.110%0.09922%0.217CC..Hα-helixtrans-63.4-26.9-175.700000112.4V25 F28 I29 A59 K60 G65 F102V25-A63 HydrophobicContact CG1-CB 3.73Å; F28-A63 HydrophobicContact CD1-CB 3.69Å; F28-A63 HydrophobicContact CE1-CB 3.96Å; I29-A63 HydrophobicContact CD1-CB 4.26Å; I29-A63 HydrophobicContact CG1-CB 3.98Å; A59-A63 WeakPolarHBondContact O-CB 3.32Å; A59-A63 PolarHBondContact O-N 2.94Å; K60-A63 PolarHBondContact O-N 3.46Å; A63-G65 PolarHBondContact O-N 2.64Å; A63-F102 HydrophobicContact CB-CE1 4.25Å; A63-F102 HydrophobicContact CB-CZ 4.09Å
64M87.7Confident91.9Very high68 Ų6841.5 Ų41.534%0.33519%0.193SC..THydrogen-bonded Turntrans-81.53.8174.3-66.2-178.970.200114V19 L21 K60 L62 Q66V19-M64 HydrophobicContact CG1-CE 4.33Å; V19-M64 HydrophobicContact CG2-CE 4.41Å; L21-M64 HydrophobicContact CD2-CG 4.26Å; L21-M64 HydrophobicContact CD2-SD 4.21Å; K60-M64 HydrophobicContact CG-SD 4.03Å; K60-M64 VanDerWaalsContact O-CG 3.31Å; K60-M64 WeakPolarHBondContact O-CG 3.5Å; K60-M64 PolarHBondContact O-N 3.02Å; L62-M64 PolarHBondContact O-N 2.93Å; M64-Q66 VanDerWaalsContact C-N 3.31Å; M64-Q66 HydrophobicContact CB-CG 4.01Å; M64-Q66 PolarHBondContact O-N 3.12Å
65G85.1Confident91.9Very high10 Ų1040.2 Ų40.210%0.10319%0.186CC..THydrogen-bonded Turntrans67.729.2178.500000113.7L62 A63 V67 V97 L98L62-G65 PolarHBondContact O-N 3.23Å; A63-G65 PolarHBondContact O-N 2.64Å; G65-V67 VanDerWaalsContact C-N 3.33Å; G65-V97 WeakPolarHBondContact O-CB 3.37Å; G65-L98 WeakPolarHBondContact CA-O 3.32Å
66Q87.3Confident91.9Very high90 Ų9040.7 Ų40.742%0.42119%0.186SC..  trans-96.318-176.8-61.4177.5-26.200112.7K61 M64K61-Q66 WeakPolarHBondContact CE-O 3.4Å; K61-Q66 HydrophobicContact CG-CB 3.66Å; K61-Q66 WeakPolarHBondContact O-CB 3.18Å; K61-Q66 PolarHBondContact O-N 3Å; K61-Q66 VanDerWaalsContact O-N 3.12Å; M64-Q66 VanDerWaalsContact C-N 3.31Å; M64-Q66 HydrophobicContact CB-CG 4.01Å; M64-Q66 PolarHBondContact O-N 3.12Å
67V93.6Very high91.8Very high10 Ų1040 Ų406%0.06118%0.181CC..EExtended strand (participates in β ladder)trans-98.9120.1173.9-176.30000108.3L40 K52 L54 L62 G65 L98L40-V67 HydrophobicContact CD1-CB 3.84Å; L40-V67 HydrophobicContact CD1-CG1 3.61Å; L40-V67 HydrophobicContact CD1-CG2 4.01Å; K52-V67 HydrophobicContact CD-CG1 4.34Å; L54-V67 HydrophobicContact CD1-CG1 4.35Å; L54-V67 HydrophobicContact CD2-CG1 4.33Å; L54-V67 HydrophobicContact CD2-CG2 3.79Å; L62-V67 HydrophobicContact CD1-CG2 4.06Å; G65-V67 VanDerWaalsContact C-N 3.33Å; V67-L98 HydrophobicContact CG1-CD1 4.33Å; V67-L98 WeakPolarHBondContact O-CB 3.4Å; V67-L98 PolarHBondContact O-N 2.99Å
68E94.6Very high91.6Very high97 Ų9731 Ų3145%0.45315%0.148SC..EExtended strand (participates in β ladder)trans-94.8157.3-178.1-71.5-179.6-175.700112.2K52 N95 S96 V97K52-E68 WeakPolarHBondContact CE-O 3.35Å; K52-E68 PolarHBondContact NZ-O 3.39Å; E68-N95 HydrophobicContact CB-CB 4.03Å; E68-N95 HydrophobicContact CG-CB 4.31Å; E68-N95 PolarHBondContact OE2-ND2 2.77Å; E68-S96 CarbonylContact C-O 3.59Å; E68-S96 WeakPolarHBondContact CA-O 3.24Å; E68-V97 HydrophobicContact CG-CG1 4.28Å
69I95Very high91.5Very high15 Ų1531.7 Ų31.78%0.07715%0.148CC..EExtended strand (participates in β ladder)trans-141.1152167.1-164.4166.9000109.6L42 S71 S73 N95 S96 L98L42-I69 HydrophobicContact CD1-CD1 4.34Å; L42-I69 HydrophobicContact CD2-CD1 4.38Å; I69-S71 PolarHBondContact O-N 3.07Å; I69-S73 WeakPolarHBondContact CD1-OG 3.29Å; I69-S73 WeakPolarHBondContact CG1-OG 3.4Å; I69-N95 CarbonylContact O-C 3.58Å; I69-N95 WeakPolarHBondContact O-CA 3.3Å; I69-N95 WeakPolarHBondContact O-CB 3.43Å; I69-S96 PolarHBondContact N-O 2.68Å; I69-S96 PolarHBondContact O-N 3.41Å; I69-L98 HydrophobicContact CB-CD1 4.35Å; I69-L98 HydrophobicContact CB-CD2 4.37Å; I69-L98 HydrophobicContact CB-CG 4.34Å; I69-L98 HydrophobicContact CG2-CD2 3.68Å; I69-L98 HydrophobicContact CG2-CG 4.09Å
70Y94.9Very high91.6Very high62 Ų6235.8 Ų35.824%0.24317%0.166CC..EExtended strand (participates in β ladder)trans-59.5124171.9169.3-125.7000109.9G72 S73 F76 V88 H93Y70-G72 VanDerWaalsContact C-N 3.26Å; Y70-G72 VanDerWaalsContact CE1-CA 3.42Å; Y70-G72 PolarHBondContact O-N 3.06Å; Y70-S73 VanDerWaalsContact O-CB 3.25Å; Y70-S73 WeakPolarHBondContact O-CB 3.12Å; Y70-S73 PolarHBondContact O-N 3.27Å; Y70-S73 PolarHBondContact O-OG 3.26Å; Y70-F76 HydrophobicContact CD1-CE1 4.23Å; Y70-F76 AromaticContact CD1-CZ 3.95Å; Y70-F76 HydrophobicContact CD1-CZ 3.95Å; Y70-F76 AromaticContact CE1-CE1 3.93Å; Y70-F76 HydrophobicContact CE1-CE1 3.93Å; Y70-F76 HydrophobicContact CE1-CZ 4.13Å; Y70-V88 HydrophobicContact CE2-CG1 4.31Å; Y70-H93 HydrophobicContact CE2-CB 3.78Å; Y70-H93 PolarHBondContact OH-ND1 3.3Å
71S93.8Very high91.7Very high1 Ų135.6 Ų35.61%0.00717%0.166CC..G310 helixtrans-62.3-33.8-173.2-54.20000113.1I69 S73 I94 N95 S96 W146I69-S71 PolarHBondContact O-N 3.07Å; S71-S73 PolarHBondContact O-N 3.38Å; S71-I94 VanDerWaalsContact CB-O 3.22Å; S71-I94 WeakPolarHBondContact CB-O 3.17Å; S71-I94 PolarHBondContact N-O 3.15Å; S71-I94 PolarHBondContact OG-O 2.95Å; S71-N95 VanDerWaalsContact OG-C 3.28Å; S71-S96 WeakPolarHBondContact CB-OG 3.39Å; S71-S96 PolarHBondContact OG-N 2.91Å; S71-S96 PolarHBondContact OG-OG 3.35Å; S71-W146 VanDerWaalsContact OG-CZ3 3.3Å; S71-W146 WeakPolarHBondContact OG-CZ3 3.32Å
72G93.8Very high91.8Very high4 Ų438.2 Ų38.24%0.04118%0.181CC..G310 helixtrans-70.8-8177.800000114.1Y70 I74 A75Y70-G72 VanDerWaalsContact C-N 3.26Å; Y70-G72 VanDerWaalsContact CE1-CA 3.42Å; Y70-G72 PolarHBondContact O-N 3.06Å; G72-I74 VanDerWaalsContact C-N 3.27Å; G72-I74 PolarHBondContact O-N 2.81Å; G72-A75 CarbonylContact O-C 3.46Å; G72-A75 PolarHBondContact O-N 3.38Å; G72-A75 VanDerWaalsContact O-N 3.09Å
73S94.4Very high92.1Very high9 Ų938.8 Ų38.86%0.06319%0.185CC..G310 helixtrans-66.4-26.4-178.663.20000114.1L50 I69 Y70 S71 A75 F76L50-S73 WeakPolarHBondContact CD1-O 3.41Å; I69-S73 WeakPolarHBondContact CD1-OG 3.29Å; I69-S73 WeakPolarHBondContact CG1-OG 3.4Å; Y70-S73 VanDerWaalsContact O-CB 3.25Å; Y70-S73 WeakPolarHBondContact O-CB 3.12Å; Y70-S73 PolarHBondContact O-N 3.27Å; Y70-S73 PolarHBondContact O-OG 3.26Å; S71-S73 PolarHBondContact O-N 3.38Å; S73-A75 PolarHBondContact O-N 2.94Å; S73-F76 VanDerWaalsContact CA-CE2 3.46Å; S73-F76 WeakPolarHBondContact O-CD2 3.31Å
74I95.3Very high92.3Very high1 Ų142.2 Ų42.21%0.00521%0.208CC..G310 helixtrans-74-5.6175.771174.9000112.7L42 I45 G72 V144 V152 Y155 W476L42-I74 HydrophobicContact CD1-CG2 4.16Å; I45-I74 WeakPolarHBondContact CB-O 3.3Å; I45-I74 WeakPolarHBondContact CG1-O 3.42Å; I45-I74 PolarHBondContact N-O 2.91Å; G72-I74 VanDerWaalsContact C-N 3.27Å; G72-I74 PolarHBondContact O-N 2.81Å; I74-V144 HydrophobicContact CG2-CG2 4.27Å; I74-V152 HydrophobicContact CD1-CG1 3.7Å; I74-Y155 HydrophobicContact CD1-CD2 4.2Å; I74-Y155 HydrophobicContact CG2-CD2 4.28Å; I74-W476 HydrophobicContact CD1-CE3 4.26Å; I74-W476 HydrophobicContact CD1-CH2 4.3Å; I74-W476 HydrophobicContact CD1-CZ3 3.61Å; I74-W476 HydrophobicContact CG1-CE3 4.21Å; I74-W476 HydrophobicContact CG1-CZ3 3.56Å
75A96.2Very high92.6Very high0 Ų039.1 Ų39.10%019%0.193CC..G310 helixtrans-128.529-175.100000112I45 G72 S73 V83 I85 W476 V480I45-A75 HydrophobicContact CD1-CB 4.13Å; G72-A75 CarbonylContact O-C 3.46Å; G72-A75 PolarHBondContact O-N 3.38Å; G72-A75 VanDerWaalsContact O-N 3.09Å; S73-A75 PolarHBondContact O-N 2.94Å; A75-V83 WeakPolarHBondContact O-CB 3.48Å; A75-I85 HydrophobicContact CB-CD1 4.03Å; A75-I85 HydrophobicContact CB-CG1 3.57Å; A75-W476 HydrophobicContact CB-CE3 3.73Å; A75-W476 HydrophobicContact CB-CZ3 4.01Å; A75-V480 HydrophobicContact CB-CG2 3.91Å; A75-V480 WeakPolarHBondContact O-CG2 3.5Å
76F94.5Very high93.1Very high35 Ų3541.9 Ų41.915%0.15421%0.209CC..  trans-68.7158.7167.7-63.9-38.3000110.9N46 Y70 S73 F80 E81 M82 V480N46-F76 PolarHBondContact ND2-O 3.5Å; Y70-F76 HydrophobicContact CD1-CE1 4.23Å; Y70-F76 AromaticContact CD1-CZ 3.95Å; Y70-F76 HydrophobicContact CD1-CZ 3.95Å; Y70-F76 AromaticContact CE1-CE1 3.93Å; Y70-F76 HydrophobicContact CE1-CE1 3.93Å; Y70-F76 HydrophobicContact CE1-CZ 4.13Å; S73-F76 VanDerWaalsContact CA-CE2 3.46Å; S73-F76 WeakPolarHBondContact O-CD2 3.31Å; F76-F80 HydrophobicContact CD2-CB 4.48Å; F76-F80 AromaticContact CD2-CD1 3.74Å; F76-F80 HydrophobicContact CD2-CD1 3.74Å; F76-F80 HydrophobicContact CD2-CE1 4.49Å; F76-F80 HydrophobicContact CE2-CD1 4.31Å; F76-E81 WeakPolarHBondContact CA-O 3.36Å; F76-M82 HydrophobicContact CD1-CG 4.37Å; F76-M82 HydrophobicContact CE1-CG 3.91Å; F76-V480 WeakPolarHBondContact O-CG1 3.43Å
77G92.7Very high93.4Very high0 Ų039.2 Ų39.20%020%0.197CC..  trans-71.7173.9164.700000111.7R79 F80 E81G77-R79 PolarHBondContact O-N 2.64Å; G77-R79 VanDerWaalsContact O-N 3.09Å; G77-F80 PolarHBondContact O-N 3.44Å; G77-E81 VanDerWaalsContact C-OE2 3.26Å; G77-E81 VanDerWaalsContact CA-CD 3.43Å; G77-E81 WeakPolarHBondContact CA-OE1 3.35Å; G77-E81 WeakPolarHBondContact CA-OE2 3.23Å; G77-E81 PolarHBondContact N-O 3.01Å
78P89.1Confident93.5Very high0 Ų038.9 Ų38.90%020%0.195CC..THydrogen-bonded Turntrans-58.5-25.3-174.223.4-34.4000113.7E81 Y509 F512P78-E81 WeakPolarHBondContact CD-OE1 3.26Å; P78-Y509 HydrophobicContact CB-CD1 4.23Å; P78-Y509 HydrophobicContact CB-CE1 4.2Å; P78-Y509 HydrophobicContact CG-CE1 4.13Å; P78-F512 WeakPolarHBondContact O-CD2 3.39Å; P78-F512 WeakPolarHBondContact O-CG 3.34Å
79R90Very high93.5Very high94 Ų9437.2 Ų37.236%0.35519%0.191SC..THydrogen-bonded Turntrans-9918177.8-72.3-78.7-67.11504.2113G77 E81 Y507 E508 F512G77-R79 PolarHBondContact O-N 2.64Å; G77-R79 VanDerWaalsContact O-N 3.09Å; R79-E81 VanDerWaalsContact CA-OE2 3.25Å; R79-E81 WeakPolarHBondContact CA-OE2 3.28Å; R79-E81 VanDerWaalsContact CB-OE2 3.28Å; R79-E81 WeakPolarHBondContact CB-OE2 3.33Å; R79-E81 PolarHBondContact N-OE2 3.16Å; R79-E81 PolarHBondContact O-N 2.64Å; R79-Y507 PolarHBondContact NH2-OH 3.15Å; R79-E508 WeakPolarHBondContact CG-OE2 3.42Å; R79-F512 VanDerWaalsContact CD-CE2 3.42Å; R79-F512 HydrophobicContact CG-CE2 4.4Å
80F90.5Very high93.5Very high86 Ų8644 Ų4438%0.37722%0.222SC..SBendtrans64.718.4-177.5-67.5-101.8000114.2I48 L50 F76 G77 F512I48-F80 HydrophobicContact CG2-CE2 4.3Å; I48-F80 HydrophobicContact CG2-CZ 3.89Å; L50-F80 HydrophobicContact CD2-CE1 3.48Å; L50-F80 VanDerWaalsContact CD2-CE1 3.48Å; L50-F80 HydrophobicContact CD2-CZ 3.93Å; F76-F80 HydrophobicContact CD2-CB 4.48Å; F76-F80 AromaticContact CD2-CD1 3.74Å; F76-F80 HydrophobicContact CD2-CD1 3.74Å; F76-F80 HydrophobicContact CD2-CE1 4.49Å; F76-F80 HydrophobicContact CE2-CD1 4.31Å; G77-F80 PolarHBondContact O-N 3.44Å; F80-F512 HydrophobicContact CD2-CD1 4.23Å; F80-F512 AromaticContact CD2-CE1 3.91Å; F80-F512 HydrophobicContact CD2-CE1 3.91Å; F80-F512 AromaticContact CE2-CD1 3.68Å; F80-F512 HydrophobicContact CE2-CD1 3.68Å; F80-F512 AromaticContact CE2-CE1 3.7Å; F80-F512 HydrophobicContact CE2-CE1 3.7Å
81E91.2Very high93.5Very high54 Ų5444.6 Ų44.625%0.25223%0.226SC..PPolyproline II helixtrans-66.9142.6171.371.8-81.4-160.100110.8F76 G77 P78 R79 V83 G484F76-E81 WeakPolarHBondContact CA-O 3.36Å; G77-E81 VanDerWaalsContact C-OE2 3.26Å; G77-E81 VanDerWaalsContact CA-CD 3.43Å; G77-E81 WeakPolarHBondContact CA-OE1 3.35Å; G77-E81 WeakPolarHBondContact CA-OE2 3.23Å; G77-E81 PolarHBondContact N-O 3.01Å; P78-E81 WeakPolarHBondContact CD-OE1 3.26Å; R79-E81 VanDerWaalsContact CA-OE2 3.25Å; R79-E81 WeakPolarHBondContact CA-OE2 3.28Å; R79-E81 VanDerWaalsContact CB-OE2 3.28Å; R79-E81 WeakPolarHBondContact CB-OE2 3.33Å; R79-E81 PolarHBondContact N-OE2 3.16Å; R79-E81 PolarHBondContact O-N 2.64Å; E81-V83 PolarHBondContact O-N 3.05Å; E81-G484 WeakPolarHBondContact OE1-CA 3.28Å
82M92Very high93.5Very high153 Ų15353.1 Ų53.175%0.75426%0.263SS*.PPolyproline II helixtrans-71.8117.9178.3-75.1-166-71.600110.5F76F76-M82 HydrophobicContact CD1-CG 4.37Å; F76-M82 HydrophobicContact CE1-CG 3.91Å
83V93.7Very high93.5Very high14 Ų1457.6 Ų57.69%0.08528%0.283CS..PPolyproline II helixtrans-95.4130.4167.3176.90000109.2A75 E81 I85 Q479 N483A75-V83 WeakPolarHBondContact O-CB 3.48Å; E81-V83 PolarHBondContact O-N 3.05Å; V83-I85 HydrophobicContact CG1-CD1 3.93Å; V83-I85 PolarHBondContact O-N 3.48Å; V83-I85 VanDerWaalsContact O-N 3.08Å; V83-Q479 HydrophobicContact CG1-CB 4.2Å; V83-N483 HydrophobicContact CG1-CB 3.89Å; V83-N483 HydrophobicContact CG2-CB 4.44Å
84S92.3Very high93.5Very high84 Ų8460.3 Ų60.359%0.58730%0.296SS*.  trans-77.695179.6-179.10000110.8
85I95.6Very high93.6Very high2 Ų263.4 Ų63.41%0.0131%0.312CS..  trans-85.4124.4175-59.2-56.5000110.5A75 V83 E87 V88 V89 W476 Q479 V480A75-I85 HydrophobicContact CB-CD1 4.03Å; A75-I85 HydrophobicContact CB-CG1 3.57Å; V83-I85 HydrophobicContact CG1-CD1 3.93Å; V83-I85 PolarHBondContact O-N 3.48Å; V83-I85 VanDerWaalsContact O-N 3.08Å; I85-E87 PolarHBondContact O-N 2.92Å; I85-V88 HydrophobicContact CB-CB 4.12Å; I85-V88 HydrophobicContact CB-CG2 3.88Å; I85-V88 HydrophobicContact CG2-CB 4.46Å; I85-V88 HydrophobicContact CG2-CG2 3.94Å; I85-V88 PolarHBondContact O-N 2.97Å; I85-V88 VanDerWaalsContact O-N 3.13Å; I85-V89 WeakPolarHBondContact O-CG2 3.34Å; I85-V89 PolarHBondContact O-N 2.91Å; I85-W476 HydrophobicContact CD1-CB 4.4Å; I85-W476 HydrophobicContact CD1-CG 4.47Å; I85-W476 HydrophobicContact CG1-CD2 4.44Å; I85-W476 HydrophobicContact CG1-CE3 4.37Å; I85-W476 HydrophobicContact CG2-CD2 3.52Å; I85-W476 HydrophobicContact CG2-CE3 4.11Å; I85-W476 HydrophobicContact CG2-CG 3.77Å; I85-W476 HydrophobicContact CG2-CH2 4.35Å; I85-W476 HydrophobicContact CG2-CZ2 3.82Å; I85-W476 HydrophobicContact CG2-CZ3 4.45Å; I85-Q479 HydrophobicContact CD1-CB 3.61Å; I85-Q479 HydrophobicContact CD1-CG 4.26Å; I85-V480 HydrophobicContact CD1-CG2 4.41Å
86P94Very high93.5Very high68 Ų6863.4 Ų63.444%0.44231%0.312SS..Hα-helixtrans-53.3-46.8-176.3-28.735.5000114.2V88 V89 E90P86-V88 PolarHBondContact O-N 2.91Å; P86-V89 PolarHBondContact O-N 3.28Å; P86-E90 WeakPolarHBondContact O-CB 3.26Å; P86-E90 PolarHBondContact O-N 3.27Å
87E95Very high93.6Very high35 Ų3562.6 Ų62.616%0.16431%0.31CS..Hα-helixtrans-63.7-39.4-179.6-172.4-176.3-177.900112.3I85 E90 K91 W146 W476I85-E87 PolarHBondContact O-N 2.92Å; E87-E90 PolarHBondContact O-N 3.26Å; E87-K91 HydrophobicContact CG-CD 4.34Å; E87-K91 WeakPolarHBondContact O-CB 3.31Å; E87-K91 VanDerWaalsContact O-CG 3.32Å; E87-K91 WeakPolarHBondContact O-CG 3.35Å; E87-K91 PolarHBondContact O-N 3.35Å; E87-K91 WeakPolarHBondContact OE1-CE 3.32Å; E87-K91 IonicContact OE1-NZ 3.81Å; E87-W146 HydrophobicContact CG-CZ2 4.21Å; E87-W146 WeakPolarHBondContact OE1-CZ2 3.29Å; E87-W476 HydrophobicContact CB-CZ2 4.11Å; E87-W476 HydrophobicContact CG-CZ2 4.45Å; E87-W476 WeakPolarHBondContact OE2-CZ2 3.4Å; E87-W476 PolarHBondContact OE2-NE1 3.24Å
88V94.3Very high93.8Very high3 Ų362.6 Ų62.62%0.01831%0.31CS..Hα-helixtrans-66.1-40.8176.9177.80000110.8Y70 I85 P86 K91 K92 H93 W146 W476Y70-V88 HydrophobicContact CE2-CG1 4.31Å; I85-V88 HydrophobicContact CB-CB 4.12Å; I85-V88 HydrophobicContact CB-CG2 3.88Å; I85-V88 HydrophobicContact CG2-CB 4.46Å; I85-V88 HydrophobicContact CG2-CG2 3.94Å; I85-V88 PolarHBondContact O-N 2.97Å; I85-V88 VanDerWaalsContact O-N 3.13Å; P86-V88 PolarHBondContact O-N 2.91Å; V88-K91 CarbonylContact O-C 3.54Å; V88-K91 PolarHBondContact O-N 2.85Å; V88-K92 PolarHBondContact O-N 3.17Å; V88-H93 PolarHBondContact O-N 3.43Å; V88-W146 HydrophobicContact CG2-CH2 4.38Å; V88-W476 HydrophobicContact CG2-CH2 3.41Å; V88-W476 VanDerWaalsContact CG2-CH2 3.41Å; V88-W476 HydrophobicContact CG2-CZ2 3.81Å; V88-W476 HydrophobicContact CG2-CZ3 4.04Å
89V94.5Very high94Very high62 Ų6265.5 Ų65.538%0.37632%0.323SS..Hα-helixtrans-66-45.7176.81740000110.9I85 P86 K91 K92I85-V89 WeakPolarHBondContact O-CG2 3.34Å; I85-V89 PolarHBondContact O-N 2.91Å; P86-V89 PolarHBondContact O-N 3.28Å; V89-K91 VanDerWaalsContact C-N 3.27Å; V89-K91 PolarHBondContact O-N 3.19Å; V89-K92 WeakPolarHBondContact O-CA 3.43Å; V89-K92 PolarHBondContact O-N 2.97Å
90E95.4Very high94.3Very high158 Ų15861.8 Ų61.874%0.73831%0.311SS*.Hα-helixtrans-58.2-41.8177.1-174.3-173.7164.900111.2P86 E87 K92P86-E90 WeakPolarHBondContact O-CB 3.26Å; P86-E90 PolarHBondContact O-N 3.27Å; E87-E90 PolarHBondContact O-N 3.26Å; E90-K92 PolarHBondContact O-N 3.42Å
91K94.4Very high94.6Very high74 Ų7459.6 Ų59.632%0.32230%0.303SS..THydrogen-bonded Turntrans-79.19.9174.9-62.6-178.8-168.3-57.70113.7E87 V88 V89 H93 I94 W146E87-K91 HydrophobicContact CG-CD 4.34Å; E87-K91 WeakPolarHBondContact O-CB 3.31Å; E87-K91 VanDerWaalsContact O-CG 3.32Å; E87-K91 WeakPolarHBondContact O-CG 3.35Å; E87-K91 PolarHBondContact O-N 3.35Å; E87-K91 WeakPolarHBondContact OE1-CE 3.32Å; E87-K91 IonicContact OE1-NZ 3.81Å; V88-K91 CarbonylContact O-C 3.54Å; V88-K91 PolarHBondContact O-N 2.85Å; V89-K91 VanDerWaalsContact C-N 3.27Å; V89-K91 PolarHBondContact O-N 3.19Å; K91-H93 PolarHBondContact O-N 2.95Å; K91-I94 HydrophobicContact CB-CG2 3.61Å; K91-I94 WeakPolarHBondContact O-CB 3.36Å; K91-I94 WeakPolarHBondContact O-CG2 3.13Å; K91-W146 HydrophobicContact CD-CD2 3.84Å; K91-W146 HydrophobicContact CD-CE3 3.68Å; K91-W146 HydrophobicContact CD-CH2 3.7Å; K91-W146 HydrophobicContact CD-CZ2 3.85Å; K91-W146 HydrophobicContact CD-CZ3 3.59Å
92K94.7Very high94.8Very high180 Ų18058.9 Ų58.978%0.78330%0.299SS*.THydrogen-bonded Turntrans58.541.7175.7-54.1179.8-179.21780114.4V88 V89 E90 I94V88-K92 PolarHBondContact O-N 3.17Å; V89-K92 WeakPolarHBondContact O-CA 3.43Å; V89-K92 PolarHBondContact O-N 2.97Å; E90-K92 PolarHBondContact O-N 3.42Å; K92-I94 PolarHBondContact O-N 2.83Å; K92-I94 VanDerWaalsContact O-N 3.09Å
93H92.8Very high94.9Very high97 Ų9756.5 Ų56.545%0.44930%0.298SS..THydrogen-bonded Turntrans59.126.7173.5-56.3-77.2000114.1Y70 V88 K91Y70-H93 HydrophobicContact CE2-CB 3.78Å; Y70-H93 PolarHBondContact OH-ND1 3.3Å; V88-H93 PolarHBondContact O-N 3.43Å; K91-H93 PolarHBondContact O-N 2.95Å
94I95.4Very high95.1Very high67 Ų6756.5 Ų56.534%0.34430%0.298SS..PPolyproline II helixtrans-54.8153.9176.4179.5170.2000112.4S71 K91 K92 W146 P147S71-I94 VanDerWaalsContact CB-O 3.22Å; S71-I94 WeakPolarHBondContact CB-O 3.17Å; S71-I94 PolarHBondContact N-O 3.15Å; S71-I94 PolarHBondContact OG-O 2.95Å; K91-I94 HydrophobicContact CB-CG2 3.61Å; K91-I94 WeakPolarHBondContact O-CB 3.36Å; K91-I94 WeakPolarHBondContact O-CG2 3.13Å; K92-I94 PolarHBondContact O-N 2.83Å; K92-I94 VanDerWaalsContact O-N 3.09Å; I94-W146 HydrophobicContact CG2-CE3 4.33Å; I94-W146 HydrophobicContact CG2-CZ3 4.17Å; I94-P147 HydrophobicContact CD1-CB 4.21Å; I94-P147 HydrophobicContact CD1-CG 3.51Å; I94-P147 HydrophobicContact CG1-CG 3.8Å
95N96.2Very high95.3Very high65 Ų6554.6 Ų54.635%0.34828%0.281SS..EExtended strand (participates in β ladder)trans-76.3142.7170.4-71.6-19.4000111.9E68 I69 S71 P147E68-N95 HydrophobicContact CB-CB 4.03Å; E68-N95 HydrophobicContact CG-CB 4.31Å; E68-N95 PolarHBondContact OE2-ND2 2.77Å; I69-N95 CarbonylContact O-C 3.58Å; I69-N95 WeakPolarHBondContact O-CA 3.3Å; I69-N95 WeakPolarHBondContact O-CB 3.43Å; S71-N95 VanDerWaalsContact OG-C 3.28Å; N95-P147 VanDerWaalsContact O-CD 3.23Å; N95-P147 WeakPolarHBondContact O-CD 3.41Å; N95-P147 WeakPolarHBondContact O-CG 3.36Å
96S96Very high95.3Very high0 Ų055 Ų550%028%0.282CS..EExtended strand (participates in β ladder)trans-90.3158.7164.9-72.90000110E68 I69 S71 V144 Y145E68-S96 CarbonylContact C-O 3.59Å; E68-S96 WeakPolarHBondContact CA-O 3.24Å; I69-S96 PolarHBondContact N-O 2.68Å; I69-S96 PolarHBondContact O-N 3.41Å; S71-S96 WeakPolarHBondContact CB-OG 3.39Å; S71-S96 PolarHBondContact OG-N 2.91Å; S71-S96 PolarHBondContact OG-OG 3.35Å; S96-V144 VanDerWaalsContact CB-CG1 3.43Å; S96-Y145 CarbonylContact C-O 3.49Å; S96-Y145 WeakPolarHBondContact CA-O 3.25Å; S96-Y145 WeakPolarHBondContact CB-O 3.06Å
97V95.7Very high95.4Very high19 Ų1952.5 Ų52.512%0.11527%0.266CS..EExtended strand (participates in β ladder)trans-98.5140.4170.6-60.20000110.2G65 E68 Y145G65-V97 WeakPolarHBondContact O-CB 3.37Å; E68-V97 HydrophobicContact CG-CG1 4.28Å; V97-Y145 PolarHBondContact N-O 3.2Å; V97-Y145 PolarHBondContact O-N 2.9Å
98L96Very high95.3Very high0 Ų050.9 Ų50.90%026%0.259CS..EExtended strand (participates in β ladder)trans-94.5125.4176.2-62.5-177.8000109.2L40 L42 G65 V67 I69 C142 V144L40-L98 HydrophobicContact CB-CD1 4.29Å; L40-L98 HydrophobicContact CD1-CD1 4.03Å; L42-L98 HydrophobicContact CD1-CD2 3.84Å; G65-L98 WeakPolarHBondContact CA-O 3.32Å; V67-L98 HydrophobicContact CG1-CD1 4.33Å; V67-L98 WeakPolarHBondContact O-CB 3.4Å; V67-L98 PolarHBondContact O-N 2.99Å; I69-L98 HydrophobicContact CB-CD1 4.35Å; I69-L98 HydrophobicContact CB-CD2 4.37Å; I69-L98 HydrophobicContact CB-CG 4.34Å; I69-L98 HydrophobicContact CG2-CD2 3.68Å; I69-L98 HydrophobicContact CG2-CG 4.09Å; L98-C142 HydrophobicContact CB-CB 4.07Å; L98-C142 HydrophobicContact CD2-CB 4.31Å; L98-V144 HydrophobicContact CD2-CG2 3.98Å
99K95.3Very high94.9Very high61 Ų6154 Ų5427%0.26527%0.273SS..EExtended strand (participates in β ladder)trans-110.3112.7173.4-64.6-167-173.51720109.5C142 D143 Y145 N149K99-C142 CarbonylContact O-C 3.59Å; K99-C142 VanDerWaalsContact O-CA 3.28Å; K99-C142 WeakPolarHBondContact O-CA 3.28Å; K99-D143 PolarHBondContact N-O 3.27Å; K99-D143 PolarHBondContact O-N 3.48Å; K99-Y145 HydrophobicContact CB-CD2 4.01Å; K99-Y145 HydrophobicContact CB-CE2 3.86Å; K99-Y145 HydrophobicContact CD-CD2 3.58Å; K99-Y145 HydrophobicContact CD-CE2 3.57Å; K99-Y145 HydrophobicContact CD-CG 4.11Å; K99-Y145 HydrophobicContact CG-CD2 3.66Å; K99-Y145 HydrophobicContact CG-CE2 3.88Å; K99-Y145 HydrophobicContact CG-CG 4.46Å; K99-N149 WeakPolarHBondContact CE-OD1 3.15Å; K99-N149 PolarHBondContact NZ-OD1 3.3Å
100P96.1Very high94.6Very high16 Ų1651.2 Ų51.210%0.10426%0.256CS..EExtended strand (participates in β ladder)trans-65.4135.517828.3-36.5000111.3F28 L62 F102 V140 L141F28-P100 HydrophobicContact CE1-CG 4.45Å; F28-P100 HydrophobicContact CZ-CB 4.16Å; F28-P100 HydrophobicContact CZ-CG 4.34Å; L62-P100 HydrophobicContact CD1-CG 4.22Å; L62-P100 HydrophobicContact CG-CG 4.23Å; P100-F102 HydrophobicContact CB-CD1 4.17Å; P100-F102 HydrophobicContact CB-CE1 4.15Å; P100-F102 HydrophobicContact CG-CD1 4.08Å; P100-F102 HydrophobicContact CG-CE1 3.54Å; P100-F102 PolarHBondContact O-N 2.61Å; P100-V140 HydrophobicContact CB-CG1 3.87Å; P100-V140 HydrophobicContact CB-CG2 3.89Å; P100-L141 WeakPolarHBondContact CA-O 3.43Å
101D95.9Very high94.1Very high39 Ų3945.8 Ų45.821%0.20923%0.232CC..  trans-87102165.4-174.6-26.4000108.4S103 T104 V140 L141 R157D101-S103 PolarHBondContact O-N 3.28Å; D101-S103 VanDerWaalsContact O-N 3.1Å; D101-S103 WeakPolarHBondContact OD1-CB 3.22Å; D101-S103 PolarHBondContact OD1-N 3.5Å; D101-S103 VanDerWaalsContact OD1-N 3.09Å; D101-S103 PolarHBondContact OD1-OG 3.09Å; D101-T104 HydrophobicContact CB-CG2 4Å; D101-T104 PolarHBondContact O-N 2.82Å; D101-T104 PolarHBondContact O-OG1 3.1Å; D101-V140 WeakPolarHBondContact O-CG2 3.46Å; D101-L141 PolarHBondContact N-O 2.88Å; D101-R157 IonicContact OD2-CZ 3.94Å; D101-R157 VanDerWaalsContact OD2-CZ 3.31Å; D101-R157 IonicContact OD2-NH1 3.57Å; D101-R157 PolarHBondContact OD2-NH1 2.68Å; D101-R157 IonicContact OD2-NH2 2.62Å; D101-R157 PolarHBondContact OD2-NH2 3.49Å
102F95.8Very high93.1Very high40 Ų4043.2 Ų43.218%0.17522%0.223CC..G310 helixtrans-58.8-26.9-173.6-57.1-28.5000113.6E24 V25 F28 A63 P100 T104 L105E24-F102 HydrophobicContact CG-CD2 3.86Å; E24-F102 HydrophobicContact CG-CE2 4.39Å; V25-F102 HydrophobicContact CB-CE2 4.5Å; V25-F102 HydrophobicContact CG2-CE2 3.78Å; V25-F102 HydrophobicContact CG2-CZ 3.89Å; F28-F102 HydrophobicContact CB-CB 4.36Å; F28-F102 HydrophobicContact CB-CD1 3.81Å; F28-F102 HydrophobicContact CB-CD2 4.03Å; F28-F102 HydrophobicContact CB-CE1 3.96Å; F28-F102 HydrophobicContact CB-CE2 4.21Å; F28-F102 HydrophobicContact CB-CG 3.82Å; F28-F102 HydrophobicContact CB-CZ 4.18Å; F28-F102 AromaticContact CD1-CD1 3.69Å; F28-F102 HydrophobicContact CD1-CD1 3.69Å; F28-F102 AromaticContact CD1-CE1 3.36Å; F28-F102 HydrophobicContact CD1-CE1 3.36Å; F28-F102 HydrophobicContact CD1-CZ 4.04Å; F28-F102 HydrophobicContact CD2-CB 3.87Å; F28-F102 AromaticContact CD2-CD1 3.17Å; F28-F102 HydrophobicContact CD2-CD1 3.17Å; F28-F102 AromaticContact CD2-CE1 3.81Å; F28-F102 HydrophobicContact CD2-CE1 3.81Å; F28-F102 AromaticContact CD2-CG 3.69Å; F28-F102 HydrophobicContact CD2-CG 3.69Å; F28-F102 AromaticContact CE1-CD1 3.98Å; F28-F102 HydrophobicContact CE1-CD1 3.98Å; F28-F102 AromaticContact CE1-CE1 3.66Å; F28-F102 HydrophobicContact CE1-CE1 3.66Å; F28-F102 AromaticContact CE2-CD1 3.51Å; F28-F102 HydrophobicContact CE2-CD1 3.51Å; F28-F102 HydrophobicContact CE2-CE1 4.08Å; F28-F102 HydrophobicContact CE2-CG 4.37Å; F28-F102 HydrophobicContact CG-CB 4.36Å; F28-F102 AromaticContact CG-CD1 3.25Å; F28-F102 HydrophobicContact CG-CD1 3.25Å; F28-F102 HydrophobicContact CG-CD2 4.38Å; F28-F102 AromaticContact CG-CE1 3.41Å; F28-F102 HydrophobicContact CG-CE1 3.41Å; F28-F102 VanDerWaalsContact CG-CE1 3.41Å; F28-F102 AromaticContact CG-CG 3.77Å; F28-F102 HydrophobicContact CG-CG 3.77Å; F28-F102 HydrophobicContact CG-CZ 4.1Å; F28-F102 AromaticContact CZ-CD1 3.88Å; F28-F102 HydrophobicContact CZ-CD1 3.88Å; F28-F102 AromaticContact CZ-CE1 3.99Å; F28-F102 HydrophobicContact CZ-CE1 3.99Å; A63-F102 HydrophobicContact CB-CE1 4.25Å; A63-F102 HydrophobicContact CB-CZ 4.09Å; P100-F102 HydrophobicContact CB-CD1 4.17Å; P100-F102 HydrophobicContact CB-CE1 4.15Å; P100-F102 HydrophobicContact CG-CD1 4.08Å; P100-F102 HydrophobicContact CG-CE1 3.54Å; P100-F102 PolarHBondContact O-N 2.61Å; F102-T104 PolarHBondContact O-N 2.86Å; F102-L105 PolarHBondContact O-N 3.11Å
103S94.5Very high91.8Very high103 Ų10337.3 Ų37.372%0.7220%0.198SC*.G310 helixtrans-68.1-14.3178.673.20000113.5D101D101-S103 PolarHBondContact O-N 3.28Å; D101-S103 VanDerWaalsContact O-N 3.1Å; D101-S103 WeakPolarHBondContact OD1-CB 3.22Å; D101-S103 PolarHBondContact OD1-N 3.5Å; D101-S103 VanDerWaalsContact OD1-N 3.09Å; D101-S103 PolarHBondContact OD1-OG 3.09Å
104T97Very high90.1Very high14 Ų1439.3 Ų39.39%0.08621%0.205CC..G310 helixtrans-101.55.3-177.1700000113.4D101 F102 H106 V140 L141D101-T104 HydrophobicContact CB-CG2 4Å; D101-T104 PolarHBondContact O-N 2.82Å; D101-T104 PolarHBondContact O-OG1 3.1Å; F102-T104 PolarHBondContact O-N 2.86Å; T104-H106 PolarHBondContact O-N 3.07Å; T104-H106 PolarHBondContact O-ND1 3.09Å; T104-V140 WeakPolarHBondContact OG1-CG2 3.38Å; T104-L141 HydrophobicContact CG2-CB 4.12Å; T104-L141 HydrophobicContact CG2-CD1 4.01Å; T104-L141 HydrophobicContact CG2-CG 4.28Å; T104-L141 WeakPolarHBondContact OG1-CB 3.44Å; T104-L141 PolarHBondContact OG1-N 2.94Å
105L97Very high88Confident43 Ų4341.1 Ų41.123%0.22522%0.216CC..  trans-63.6121.8177.7178.966.1000110.2F28 D31 V32 I38 F102 C138 S139 V140F28-L105 HydrophobicContact CD2-CD2 4.2Å; F28-L105 HydrophobicContact CE2-CB 4.43Å; F28-L105 HydrophobicContact CE2-CD1 4.33Å; F28-L105 HydrophobicContact CE2-CD2 4.25Å; D31-L105 HydrophobicContact CB-CD2 3.74Å; V32-L105 HydrophobicContact CG2-CD1 3.98Å; V32-L105 HydrophobicContact CG2-CD2 3.94Å; I38-L105 HydrophobicContact CD1-CD1 4Å; F102-L105 PolarHBondContact O-N 3.11Å; L105-C138 HydrophobicContact CD1-CB 4.12Å; L105-S139 WeakPolarHBondContact CA-O 3.15Å; L105-V140 HydrophobicContact CD1-CB 4.39Å
106H95.8Very high85.9Confident11 Ų1139 Ų395%0.05120%0.203CC..EExtended strand (participates in β ladder)trans-141.6151.3179.361.8-82000112.5T104 C138 S139 A244T104-H106 PolarHBondContact O-N 3.07Å; T104-H106 PolarHBondContact O-ND1 3.09Å; H106-C138 CarbonylContact O-C 3.43Å; H106-C138 VanDerWaalsContact O-CA 3.26Å; H106-C138 WeakPolarHBondContact O-CA 3.13Å; H106-C138 VanDerWaalsContact O-CB 3.31Å; H106-C138 WeakPolarHBondContact O-CB 3.43Å; H106-S139 PolarHBondContact N-O 2.68Å; H106-S139 PolarHBondContact ND1-O 3.16Å; H106-S139 PolarHBondContact O-N 2.8Å; H106-A244 HydrophobicContact CB-CB 3.87Å
107P94.7Very high83.3Confident16 Ų1640.8 Ų40.810%0.10421%0.214CC..EExtended strand (participates in β ladder)trans-69.5144.4172.827-33.1000112Y35 H109 W110 L243Y35-P107 HydrophobicContact CE1-CB 4.08Å; P107-H109 VanDerWaalsContact CB-CD2 3.48Å; P107-H109 WeakPolarHBondContact CB-CD2 3.44Å; P107-W110 WeakPolarHBondContact O-CZ3 3.43Å; P107-L243 WeakPolarHBondContact CD-O 3.31Å; P107-L243 HydrophobicContact CG-CB 4.06Å; P107-L243 VanDerWaalsContact CG-O 3.23Å; P107-L243 WeakPolarHBondContact CG-O 3.18Å
108C93.4Very high80.6Confident1 Ų145 Ų451%0.00723%0.232CC..  trans-111.259170.1-56.10000110.1W110 I111 F137 S139C108-W110 HydrophobicContact CB-CH2 4.17Å; C108-W110 HydrophobicContact CB-CZ2 4.05Å; C108-W110 HydrophobicContact CB-CZ3 4.42Å; C108-W110 PolarHBondContact O-N 2.82Å; C108-I111 HydrophobicContact CB-CD1 3.55Å; C108-I111 HydrophobicContact CB-CG1 3.99Å; C108-I111 PolarHBondContact O-N 3.06Å; C108-I111 VanDerWaalsContact O-N 3.11Å; C108-F137 HydrophobicContact CB-CB 4.19Å; C108-F137 PolarHBondContact N-O 2.78Å; C108-S139 WeakPolarHBondContact SG-CB 3.23Å
109H86.2Confident77.8Confident67 Ų6748.7 Ų48.731%0.3126%0.257SS..Hα-helixtrans-58.6-37.1-174.9-80-166000112.5P107 I111 S112 Q113 N240 L243P107-H109 VanDerWaalsContact CB-CD2 3.48Å; P107-H109 WeakPolarHBondContact CB-CD2 3.44Å; H109-I111 PolarHBondContact O-N 3.04Å; H109-I111 VanDerWaalsContact O-N 3.15Å; H109-S112 WeakPolarHBondContact O-CA 3.37Å; H109-S112 WeakPolarHBondContact O-CB 3.38Å; H109-S112 PolarHBondContact O-N 3.46Å; H109-Q113 PolarHBondContact O-N 3.41Å; H109-N240 WeakPolarHBondContact CB-OD1 3.07Å; H109-L243 HydrophobicContact CB-CD1 4.26Å; H109-L243 VanDerWaalsContact ND1-CD1 3.28Å; H109-L243 WeakPolarHBondContact ND1-CD1 3.45Å
110W88.8Confident75.1Confident4 Ų453.6 Ų53.62%0.01528%0.281CS..Hα-helixtrans-56.1-32.4177.961.795.2000112.8P107 C108 S112 Y116 N240 M241 A282 E285 I286 K289P107-W110 WeakPolarHBondContact O-CZ3 3.43Å; C108-W110 HydrophobicContact CB-CH2 4.17Å; C108-W110 HydrophobicContact CB-CZ2 4.05Å; C108-W110 HydrophobicContact CB-CZ3 4.42Å; C108-W110 PolarHBondContact O-N 2.82Å; W110-S112 VanDerWaalsContact C-N 3.34Å; W110-Y116 WeakPolarHBondContact CA-OH 3.24Å; W110-Y116 WeakPolarHBondContact CB-OH 3.41Å; W110-N240 HydrophobicContact CB-CB 4.48Å; W110-N240 HydrophobicContact CD2-CB 4.4Å; W110-N240 HydrophobicContact CE3-CB 3.59Å; W110-N240 HydrophobicContact CZ3-CB 4.17Å; W110-N240 PolarHBondContact N-OD1 3.32Å; W110-M241 HydrophobicContact CE3-CE 4.34Å; W110-M241 HydrophobicContact CH2-CE 3.8Å; W110-M241 HydrophobicContact CZ3-CE 3.68Å; W110-A282 HydrophobicContact CH2-CB 4.23Å; W110-A282 HydrophobicContact CZ2-CB 3.88Å; W110-E285 PolarHBondContact NE1-OE2 3.27Å; W110-I286 HydrophobicContact CB-CD1 4.1Å; W110-I286 HydrophobicContact CB-CG1 3.64Å; W110-I286 HydrophobicContact CG-CD1 4.2Å; W110-I286 HydrophobicContact CG-CG1 3.8Å; W110-K289 WeakPolarHBondContact O-CE 3.36Å; W110-K289 PolarHBondContact O-NZ 3.07Å
111I84.5Confident72.4Confident45 Ų4562.3 Ų62.323%0.23132%0.317CS..Hα-helixtrans-68.3-40.3176.2-56.2176.3000110.3C108 H109 Q113 F137 E285 K289C108-I111 HydrophobicContact CB-CD1 3.55Å; C108-I111 HydrophobicContact CB-CG1 3.99Å; C108-I111 PolarHBondContact O-N 3.06Å; C108-I111 VanDerWaalsContact O-N 3.11Å; H109-I111 PolarHBondContact O-N 3.04Å; H109-I111 VanDerWaalsContact O-N 3.15Å; I111-Q113 PolarHBondContact O-N 3.1Å; I111-F137 HydrophobicContact CB-CD2 4.38Å; I111-F137 HydrophobicContact CG2-CD2 4Å; I111-F137 HydrophobicContact CG2-CE2 4.21Å; I111-F137 HydrophobicContact CG2-CG 4.28Å; I111-E285 WeakPolarHBondContact CG1-OE2 3.37Å; I111-K289 PolarHBondContact O-NZ 3.41Å
112S73.4Confident69.4Low19 Ų1967.6 Ų67.613%0.13335%0.345CS..Hα-helixtrans-73.8-8.1-174.4-45.80000113.1H109 W110 G133 Y135 F137H109-S112 WeakPolarHBondContact O-CA 3.37Å; H109-S112 WeakPolarHBondContact O-CB 3.38Å; H109-S112 PolarHBondContact O-N 3.46Å; W110-S112 VanDerWaalsContact C-N 3.34Å; S112-G133 WeakPolarHBondContact O-CA 3.19Å; S112-G133 PolarHBondContact O-N 3.2Å; S112-Y135 WeakPolarHBondContact CB-O 3.3Å; S112-Y135 PolarHBondContact OG-O 3.42Å; S112-F137 WeakPolarHBondContact OG-CD2 3.34Å
113Q67Low66.6Low57 Ų5774.2 Ų74.227%0.26638%0.382SS..BIsolated β-bridgetrans-84.8126.9179.9-65.8-177.85.600111.7H109 I111 Y116 K289H109-Q113 PolarHBondContact O-N 3.41Å; I111-Q113 PolarHBondContact O-N 3.1Å; Q113-Y116 HydrophobicContact CB-CD2 4.49Å; Q113-Y116 HydrophobicContact CB-CE2 3.85Å; Q113-Y116 PolarHBondContact OE1-OH 3.01Å; Q113-K289 PolarHBondContact O-NZ 2.91Å
114K57.4Low63.6Low138 Ų13877.6 Ų77.660%0.638%0.384SS*.SBendtrans-73.9-39.5179.5-110.1179.6177-175.40112.7E131K114-E131 WeakPolarHBondContact CB-O 3.32Å
115N51.7Low60.5Low106 Ų10682.1 Ų82.157%0.56741%0.406SS*.  trans-132124.6-173.1-67.9-34.4000110.2E131N115-E131 PolarHBondContact ND2-OE2 3.36Å
116Y50.9Low57.5Low21 Ų2184.2 Ų84.28%0.08242%0.42CS..  trans-101134.6158.4-80.2-87.2000107.4W110 Q113 H118 D236 K289 H290W110-Y116 WeakPolarHBondContact CA-OH 3.24Å; W110-Y116 WeakPolarHBondContact CB-OH 3.41Å; Q113-Y116 HydrophobicContact CB-CD2 4.49Å; Q113-Y116 HydrophobicContact CB-CE2 3.85Å; Q113-Y116 PolarHBondContact OE1-OH 3.01Å; Y116-H118 PolarHBondContact O-N 2.9Å; Y116-D236 HydrophobicContact CD1-CB 4.49Å; Y116-D236 WeakPolarHBondContact CD1-OD2 3.35Å; Y116-D236 HydrophobicContact CE1-CB 3.78Å; Y116-D236 WeakPolarHBondContact CE1-OD1 3.35Å; Y116-D236 WeakPolarHBondContact CE1-OD2 3.12Å; Y116-K289 HydrophobicContact CD2-CB 3.57Å; Y116-K289 HydrophobicContact CD2-CD 3.52Å; Y116-K289 HydrophobicContact CD2-CG 4.17Å; Y116-K289 HydrophobicContact CE2-CB 3.99Å; Y116-K289 HydrophobicContact CE2-CD 3.22Å; Y116-K289 HydrophobicContact CE2-CG 4.24Å; Y116-K289 HydrophobicContact CG-CB 4.25Å; Y116-H290 AromaticContact CD1-NE2 3.71Å
117P42.5Very low54.7Low36 Ų3689.9 Ų89.923%0.23445%0.45CS..  trans-64.1103.317624-29.1000109.1M125 L127P117-M125 HydrophobicContact CB-CG 4.39Å; P117-M125 HydrophobicContact CG-CE 4.35Å; P117-L127 HydrophobicContact CG-CD2 4.2Å
118H39.8Very low51.7Low107 Ų10794.4 Ų94.450%0.49547%0.473SS..  trans-65.8127.8171.8-105-63.3000109.6Y116 Q120 H290 G291Y116-H118 PolarHBondContact O-N 2.9Å; H118-Q120 PolarHBondContact O-N 2.98Å; H118-H290 PolarHBondContact CE1-O 2.95Å; H118-H290 VanDerWaalsContact CE1-O 3.26Å; H118-G291 PolarHBondContact CE1-N 3.4Å
119P37.1Very low49.2Very low79 Ų7999.1 Ų99.151%0.51351%0.512SS..SBendtrans-79.263.7169.732.6-31.6000109.4
120Q38.7Very low47.1Very low164 Ų164105.1 Ų105.177%0.76654%0.541SS*.SBendtrans-169.882.8167-109.8172.836.700111.3H118H118-Q120 PolarHBondContact O-N 2.98Å
121K38.5Very low45.2Very low198 Ų198109.6 Ų109.686%0.86156%0.562SS**SBend179.2-24.8127-102.6176.1178.71770113.8
122D33Very low43.8Very low150 Ų150110.2 Ų110.280%0.80258%0.579SS**SBendtrans-140.6134.2177.9-72.9-55.4000110.7K124D122-K124 PolarHBondContact O-N 3.44Å
123N36.1Very low43.3Very low179 Ų179110.3 Ų110.396%0.95758%0.583SS**SBendtrans-72.144.9-167.3-126.12.4000114
124K33Very low43.9Very low174 Ų174115.3 Ų115.376%0.75760%0.604SS**  trans-135.497.9176.7-69.1-173177.5-179.80110.1D122 V126D122-K124 PolarHBondContact O-N 3.44Å; K124-V126 VanDerWaalsContact C-N 3.29Å; K124-V126 HydrophobicContact CB-CG2 4.15Å; K124-V126 PolarHBondContact O-N 2.92Å
125M32Very low45.4Very low110 Ų110113.5 Ų113.554%0.54259%0.594SS.*  trans-6396.7155.8-92.6-174.481.700107.5P117 L127P117-M125 HydrophobicContact CB-CG 4.39Å; P117-M125 HydrophobicContact CG-CE 4.35Å; M125-L127 HydrophobicContact CE-CD1 4.45Å; M125-L127 HydrophobicContact CE-CD2 4.43Å; M125-L127 HydrophobicContact CE-CG 4.35Å
126V32.6Very low47.3Very low86 Ų86110.1 Ų110.152%0.52158%0.579SS.*  trans-101.7101.9161.7-172.60000105.9K124 N128K124-V126 VanDerWaalsContact C-N 3.29Å; K124-V126 HydrophobicContact CB-CG2 4.15Å; K124-V126 PolarHBondContact O-N 2.92Å; V126-N128 WeakPolarHBondContact CG1-OD1 3.37Å; V126-N128 PolarHBondContact O-N 3.35Å
127L37.6Very low49.4Very low130 Ų130110.9 Ų110.968%0.68158%0.582SS**  trans-69.884.5164.6-71.9165.6000107.2P117 M125 A129P117-L127 HydrophobicContact CG-CD2 4.2Å; M125-L127 HydrophobicContact CE-CD1 4.45Å; M125-L127 HydrophobicContact CE-CD2 4.43Å; M125-L127 HydrophobicContact CE-CG 4.35Å; L127-A129 VanDerWaalsContact C-N 3.3Å; L127-A129 PolarHBondContact O-N 3.4Å
128N31.5Very low51.9Low111 Ų111109.2 Ų109.259%0.59457%0.572SS**  trans-73.290.5170.7-86.8-14.1000108.5V126 E130V126-N128 WeakPolarHBondContact CG1-OD1 3.37Å; V126-N128 PolarHBondContact O-N 3.35Å; N128-E130 PolarHBondContact O-N 2.91Å; N128-E130 VanDerWaalsContact O-N 3.15Å
129A40.4Very low54.6Low101 Ų101104.2 Ų104.284%0.83555%0.549SS*.THydrogen-bonded Turntrans-65.1-5.217300000113.7L127L127-A129 VanDerWaalsContact C-N 3.3Å; L127-A129 PolarHBondContact O-N 3.4Å
130E42.8Very low57.5Low193 Ų193100.4 Ų100.490%0.90252%0.524SS*.THydrogen-bonded Turntrans-92.7-8.6-175.6-66.6-168.316300114.8N128N128-E130 PolarHBondContact O-N 2.91Å; N128-E130 VanDerWaalsContact O-N 3.15Å
131E48.4Very low60.3Low98 Ų9892.6 Ų92.646%0.45849%0.488SS..  trans-109.659.5179.4-67.2-166.4156.800112.4K114 N115K114-E131 WeakPolarHBondContact CB-O 3.32Å; N115-E131 PolarHBondContact ND2-OE2 3.36Å
132G54.9Low63.1Low57 Ų5783.2 Ų83.259%0.58845%0.447SS*.BIsolated β-bridgetrans-53.9139.9160.700000110.3
133G63.1Low66.1Low22 Ų2276.8 Ų76.823%0.22741%0.412CS..  trans-60.7154.6172.300000110.8S112 Y135S112-G133 WeakPolarHBondContact O-CA 3.19Å; S112-G133 PolarHBondContact O-N 3.2Å; G133-Y135 PolarHBondContact O-N 3Å
134K79.5Confident69Low162 Ų16268.3 Ų68.370%0.70437%0.367SS*.SBendtrans-58.1-24.5-167.6-175.1178.2176.7-169.10114
135Y89.2Confident72Confident100 Ų10062.1 Ų62.139%0.39234%0.34SS..SBendtrans-134.4149.3-174.3-54.7-67.1000110.5D36 F37 S112 G133 F137D36-Y135 HydrophobicContact CB-CD1 4.29Å; D36-Y135 WeakPolarHBondContact OD2-CA 3.18Å; F37-Y135 HydrophobicContact CE2-CD1 4.17Å; F37-Y135 HydrophobicContact CE2-CD2 4.44Å; F37-Y135 HydrophobicContact CE2-CG 4.04Å; S112-Y135 WeakPolarHBondContact CB-O 3.3Å; S112-Y135 PolarHBondContact OG-O 3.42Å; G133-Y135 PolarHBondContact O-N 3Å; Y135-F137 WeakPolarHBondContact O-CD2 3.19Å; Y135-F137 WeakPolarHBondContact O-CE2 3.26Å
136S91.3Very high75.1Confident35 Ų3557.3 Ų57.325%0.24532%0.315CS..  trans-99.9143.8175.859.20000111.1Y35 D36 F37Y35-S136 VanDerWaalsContact CA-OG 3.29Å; Y35-S136 WeakPolarHBondContact CA-OG 3.38Å; D36-S136 WeakPolarHBondContact CB-O 3.2Å; D36-S136 PolarHBondContact N-O 2.88Å; D36-S136 VanDerWaalsContact N-O 3.1Å; D36-S136 PolarHBondContact N-OG 2.85Å; D36-S136 PolarHBondContact OD2-N 2.72Å; D36-S136 PolarHBondContact OD2-OG 2.98Å; F37-S136 PolarHBondContact N-O 2.99Å; F37-S136 VanDerWaalsContact N-O 3.15Å
137F94.5Very high77.9Confident36 Ų3656.3 Ų56.316%0.15831%0.31CS..EExtended strand (participates in β ladder)trans-131.4141-174.5-62.9-95.1000111.2F37 L53 C108 I111 S112 Y135F37-F137 HydrophobicContact CB-CD1 3.62Å; F37-F137 HydrophobicContact CB-CE1 3.74Å; F37-F137 HydrophobicContact CD2-CD1 4.41Å; F37-F137 AromaticContact CD2-CE1 3.8Å; F37-F137 HydrophobicContact CD2-CE1 3.8Å; F37-F137 HydrophobicContact CD2-CZ 4.12Å; F37-F137 HydrophobicContact CG-CD1 4.32Å; F37-F137 AromaticContact CG-CE1 3.93Å; F37-F137 HydrophobicContact CG-CE1 3.93Å; F37-F137 WeakPolarHBondContact O-CA 3.44Å; L53-F137 HydrophobicContact CD1-CD1 4.06Å; L53-F137 HydrophobicContact CD1-CE1 4.23Å; L53-F137 HydrophobicContact CD2-CE1 4.22Å; C108-F137 HydrophobicContact CB-CB 4.19Å; C108-F137 PolarHBondContact N-O 2.78Å; I111-F137 HydrophobicContact CB-CD2 4.38Å; I111-F137 HydrophobicContact CG2-CD2 4Å; I111-F137 HydrophobicContact CG2-CE2 4.21Å; I111-F137 HydrophobicContact CG2-CG 4.28Å; S112-F137 WeakPolarHBondContact OG-CD2 3.34Å; Y135-F137 WeakPolarHBondContact O-CD2 3.19Å; Y135-F137 WeakPolarHBondContact O-CE2 3.26Å
138C95.6Very high80.6Confident1 Ų155.1 Ų55.11%0.00731%0.305CS..EExtended strand (participates in β ladder)trans-127.2169.3165.163.40000110.8Y35 F37 I38 R39 L105 H106Y35-C138 HydrophobicContact CD1-CB 3.95Å; Y35-C138 HydrophobicContact CD2-CB 3.65Å; Y35-C138 HydrophobicContact CE1-CB 4.11Å; Y35-C138 HydrophobicContact CE2-CB 3.82Å; Y35-C138 HydrophobicContact CG-CB 3.72Å; F37-C138 PolarHBondContact O-N 2.94Å; I38-C138 CarbonylContact C-O 3.54Å; I38-C138 WeakPolarHBondContact CA-O 3.19Å; R39-C138 PolarHBondContact N-O 2.89Å; L105-C138 HydrophobicContact CD1-CB 4.12Å; H106-C138 CarbonylContact O-C 3.43Å; H106-C138 VanDerWaalsContact O-CA 3.26Å; H106-C138 WeakPolarHBondContact O-CA 3.13Å; H106-C138 VanDerWaalsContact O-CB 3.31Å; H106-C138 WeakPolarHBondContact O-CB 3.43Å
139S96.8Very high83.5Confident2 Ų254.4 Ų54.41%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-137.1151.8175.5179.50000111.1R39 S41 L105 H106 C108R39-S139 CarbonylContact O-C 3.44Å; R39-S139 VanDerWaalsContact O-CA 3.23Å; R39-S139 WeakPolarHBondContact O-CA 3.22Å; R39-S139 PolarHBondContact O-OG 2.8Å; S41-S139 PolarHBondContact OG-OG 2.77Å; L105-S139 WeakPolarHBondContact CA-O 3.15Å; H106-S139 PolarHBondContact N-O 2.68Å; H106-S139 PolarHBondContact ND1-O 3.16Å; H106-S139 PolarHBondContact O-N 2.8Å; C108-S139 WeakPolarHBondContact SG-CB 3.23Å
140V97.4Very high86.1Confident0 Ų053.9 Ų53.90%028%0.281CS..EExtended strand (participates in β ladder)trans-139.3139.1174.268.10000108.7F28 I38 R39 L40 S41 P100 D101 T104 L105F28-V140 HydrophobicContact CE2-CG2 4.14Å; F28-V140 HydrophobicContact CZ-CG1 4.48Å; I38-V140 HydrophobicContact CD1-CB 4.27Å; I38-V140 HydrophobicContact CD1-CG1 3.8Å; I38-V140 HydrophobicContact CG1-CG1 4.2Å; R39-V140 PolarHBondContact O-N 2.98Å; L40-V140 HydrophobicContact CD2-CG1 3.62Å; S41-V140 PolarHBondContact N-O 3.01Å; P100-V140 HydrophobicContact CB-CG1 3.87Å; P100-V140 HydrophobicContact CB-CG2 3.89Å; D101-V140 WeakPolarHBondContact O-CG2 3.46Å; T104-V140 WeakPolarHBondContact OG1-CG2 3.38Å; L105-V140 HydrophobicContact CD1-CB 4.39Å
141L97.7Very high88.7Confident0 Ų045.5 Ų45.50%024%0.243CC..EExtended strand (participates in β ladder)trans-74.5144172.3-59.2179.3000109.9S41 P100 D101 T104 D274 F277 I278S41-L141 CarbonylContact O-C 3.45Å; S41-L141 VanDerWaalsContact O-CA 3.27Å; S41-L141 WeakPolarHBondContact O-CA 3.48Å; P100-L141 WeakPolarHBondContact CA-O 3.43Å; D101-L141 PolarHBondContact N-O 2.88Å; T104-L141 HydrophobicContact CG2-CB 4.12Å; T104-L141 HydrophobicContact CG2-CD1 4.01Å; T104-L141 HydrophobicContact CG2-CG 4.28Å; T104-L141 WeakPolarHBondContact OG1-CB 3.44Å; T104-L141 PolarHBondContact OG1-N 2.94Å; L141-D274 HydrophobicContact CD1-CB 3.64Å; L141-D274 VanDerWaalsContact CD1-CG 3.43Å; L141-D274 VanDerWaalsContact CD1-OD1 3.24Å; L141-D274 WeakPolarHBondContact CD1-OD1 3.37Å; L141-F277 HydrophobicContact CD2-CD1 3.67Å; L141-F277 HydrophobicContact CD2-CE1 3.62Å; L141-I278 HydrophobicContact CD1-CD1 4.44Å
142C97.4Very high91Very high0 Ų040.9 Ų40.90%022%0.222CC..EExtended strand (participates in β ladder)trans-125.4131.9-178.1-65.90000111.5S41 L98 K99 Y155S41-C142 PolarHBondContact O-N 2.89Å; L98-C142 HydrophobicContact CB-CB 4.07Å; L98-C142 HydrophobicContact CD2-CB 4.31Å; K99-C142 CarbonylContact O-C 3.59Å; K99-C142 VanDerWaalsContact O-CA 3.28Å; K99-C142 WeakPolarHBondContact O-CA 3.28Å; C142-Y155 PolarHBondContact O-OH 3.21Å
143D96.8Very high93Very high15 Ų1542.8 Ų42.88%0.0821%0.212CC..EExtended strand (participates in β ladder)trans-81.4150.1166.3-69.1-25.4000110.6K99 Y145 Y155 R157 Q161K99-D143 PolarHBondContact N-O 3.27Å; K99-D143 PolarHBondContact O-N 3.48Å; D143-Y145 HydrophobicContact CB-CD2 4.34Å; D143-Y145 HydrophobicContact CB-CE2 3.58Å; D143-Y155 HydrophobicContact CB-CE1 4.42Å; D143-R157 WeakPolarHBondContact OD1-CD 3.4Å; D143-R157 IonicContact OD1-CZ 3.69Å; D143-R157 IonicContact OD1-NH1 3.11Å; D143-R157 PolarHBondContact OD1-NH1 2.75Å; D143-R157 IonicContact OD2-NH1 2.64Å; D143-R157 PolarHBondContact OD2-NH1 2.98Å; D143-Q161 PolarHBondContact OD1-NE2 3.14Å; D143-Q161 PolarHBondContact OD2-NE2 3.25Å
144V96.7Very high94.6Very high2 Ų241.7 Ų41.71%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-108.1125.7-174.3-171.60000110.3L42 I74 S96 L98 V152 Y155L42-V144 HydrophobicContact CD1-CG2 3.52Å; I74-V144 HydrophobicContact CG2-CG2 4.27Å; S96-V144 VanDerWaalsContact CB-CG1 3.43Å; L98-V144 HydrophobicContact CD2-CG2 3.98Å; V144-V152 HydrophobicContact CB-CG2 4.31Å; V144-V152 HydrophobicContact CG1-CB 4.39Å; V144-V152 HydrophobicContact CG1-CG2 3.76Å; V144-V152 PolarHBondContact O-N 2.88Å; V144-Y155 HydrophobicContact CB-CD1 4.37Å; V144-Y155 HydrophobicContact CB-CD2 4.06Å; V144-Y155 HydrophobicContact CB-CE2 4.41Å; V144-Y155 HydrophobicContact CB-CG 4.08Å; V144-Y155 HydrophobicContact CG2-CD1 4.33Å; V144-Y155 HydrophobicContact CG2-CD2 3.61Å; V144-Y155 HydrophobicContact CG2-CE1 4.21Å; V144-Y155 HydrophobicContact CG2-CE2 3.51Å; V144-Y155 HydrophobicContact CG2-CG 4.07Å
145Y96.7Very high95.4Very high44 Ų4434 Ų3417%0.17317%0.168CC..EExtended strand (participates in β ladder)trans-126.4144.7-179.3-67.6-102.6000111.1S96 V97 K99 D143 N149 Q150 P151S96-Y145 CarbonylContact C-O 3.49Å; S96-Y145 WeakPolarHBondContact CA-O 3.25Å; S96-Y145 WeakPolarHBondContact CB-O 3.06Å; V97-Y145 PolarHBondContact N-O 3.2Å; V97-Y145 PolarHBondContact O-N 2.9Å; K99-Y145 HydrophobicContact CB-CD2 4.01Å; K99-Y145 HydrophobicContact CB-CE2 3.86Å; K99-Y145 HydrophobicContact CD-CD2 3.58Å; K99-Y145 HydrophobicContact CD-CE2 3.57Å; K99-Y145 HydrophobicContact CD-CG 4.11Å; K99-Y145 HydrophobicContact CG-CD2 3.66Å; K99-Y145 HydrophobicContact CG-CE2 3.88Å; K99-Y145 HydrophobicContact CG-CG 4.46Å; D143-Y145 HydrophobicContact CB-CD2 4.34Å; D143-Y145 HydrophobicContact CB-CE2 3.58Å; Y145-N149 WeakPolarHBondContact CD1-O 3.33Å; Y145-Q150 CarbonylContact C-O 3.58Å; Y145-Q150 WeakPolarHBondContact CA-O 3.29Å; Y145-P151 HydrophobicContact CD1-CB 4.35Å; Y145-P151 HydrophobicContact CD1-CG 4.21Å; Y145-P151 HydrophobicContact CE1-CB 4.18Å; Y145-P151 HydrophobicContact CE1-CG 3.8Å
146W95.7Very high95.8Very high9 Ų929.3 Ų29.33%0.03415%0.149CC..  trans-62.2156.5164.5-61.7117000110.8S71 E87 V88 K91 I94 N148 N149 Q150 V152 W476S71-W146 VanDerWaalsContact OG-CZ3 3.3Å; S71-W146 WeakPolarHBondContact OG-CZ3 3.32Å; E87-W146 HydrophobicContact CG-CZ2 4.21Å; E87-W146 WeakPolarHBondContact OE1-CZ2 3.29Å; V88-W146 HydrophobicContact CG2-CH2 4.38Å; K91-W146 HydrophobicContact CD-CD2 3.84Å; K91-W146 HydrophobicContact CD-CE3 3.68Å; K91-W146 HydrophobicContact CD-CH2 3.7Å; K91-W146 HydrophobicContact CD-CZ2 3.85Å; K91-W146 HydrophobicContact CD-CZ3 3.59Å; I94-W146 HydrophobicContact CG2-CE3 4.33Å; I94-W146 HydrophobicContact CG2-CZ3 4.17Å; W146-N148 VanDerWaalsContact CB-OD1 3.23Å; W146-N148 WeakPolarHBondContact CB-OD1 3.4Å; W146-N148 PolarHBondContact O-N 3.35Å; W146-N149 WeakPolarHBondContact O-CA 3.15Å; W146-N149 PolarHBondContact O-N 3.48Å; W146-Q150 PolarHBondContact N-O 3.37Å; W146-V152 HydrophobicContact CD2-CG2 3.87Å; W146-V152 HydrophobicContact CE3-CG2 4.4Å; W146-V152 HydrophobicContact CG-CG2 4.17Å; W146-V152 HydrophobicContact CZ2-CG1 3.99Å; W146-V152 HydrophobicContact CZ2-CG2 4.07Å; W146-W476 HydrophobicContact CH2-CH2 4.1Å; W146-W476 HydrophobicContact CH2-CZ2 4.26Å; W146-W476 HydrophobicContact CZ2-CH2 4.22Å; W146-W476 HydrophobicContact CZ2-CZ2 4.1Å
147P93Very high96.1Very high64 Ų6427.7 Ų27.742%0.41614%0.138SC..THydrogen-bonded Turntrans-60.2-19.8-179.8-33.643.4000115.6I94 N95 N149I94-P147 HydrophobicContact CD1-CB 4.21Å; I94-P147 HydrophobicContact CD1-CG 3.51Å; I94-P147 HydrophobicContact CG1-CG 3.8Å; N95-P147 VanDerWaalsContact O-CD 3.23Å; N95-P147 WeakPolarHBondContact O-CD 3.41Å; N95-P147 WeakPolarHBondContact O-CG 3.36Å; P147-N149 PolarHBondContact O-N 3.14Å
148N93.3Very high96.3Very high105 Ų10527.8 Ų27.856%0.56114%0.138SC*.THydrogen-bonded Turntrans-8214.6171.669.6-7.1000113.3W146 Q150W146-N148 VanDerWaalsContact CB-OD1 3.23Å; W146-N148 WeakPolarHBondContact CB-OD1 3.4Å; W146-N148 PolarHBondContact O-N 3.35Å; N148-Q150 PolarHBondContact O-N 3.03Å; N148-Q150 WeakPolarHBondContact OD1-CB 3.46Å; N148-Q150 PolarHBondContact OD1-N 3Å; N148-Q150 VanDerWaalsContact OD1-N 3.11Å
149N93Very high96.4Very high96 Ų9627.8 Ų27.851%0.51314%0.138SC..SBendtrans63.412.1-176.7-79-42.1000115.9K99 Y145 W146 P147K99-N149 WeakPolarHBondContact CE-OD1 3.15Å; K99-N149 PolarHBondContact NZ-OD1 3.3Å; Y145-N149 WeakPolarHBondContact CD1-O 3.33Å; W146-N149 WeakPolarHBondContact O-CA 3.15Å; W146-N149 PolarHBondContact O-N 3.48Å; P147-N149 PolarHBondContact O-N 3.14Å
150Q95.3Very high96.5Very high90 Ų9027.7 Ų27.742%0.42114%0.138SC..  trans-76137.9168.9-69.1-63.7-53.100110.3Y145 W146 N148 Y153Y145-Q150 CarbonylContact C-O 3.58Å; Y145-Q150 WeakPolarHBondContact CA-O 3.29Å; W146-Q150 PolarHBondContact N-O 3.37Å; N148-Q150 PolarHBondContact O-N 3.03Å; N148-Q150 WeakPolarHBondContact OD1-CB 3.46Å; N148-Q150 PolarHBondContact OD1-N 3Å; N148-Q150 VanDerWaalsContact OD1-N 3.11Å; Q150-Y153 PolarHBondContact OE1-OH 2.99Å
151P95.9Very high96.5Very high17 Ų1729.8 Ų29.811%0.1115%0.147CC..BIsolated β-bridgetrans-56.7145.3170.8-2030.3000110.9Y145 Y153 F158Y145-P151 HydrophobicContact CD1-CB 4.35Å; Y145-P151 HydrophobicContact CD1-CG 4.21Å; Y145-P151 HydrophobicContact CE1-CB 4.18Å; Y145-P151 HydrophobicContact CE1-CG 3.8Å; P151-Y153 HydrophobicContact CB-CE1 4.37Å; P151-Y153 HydrophobicContact CG-CE1 4.39Å; P151-Y153 PolarHBondContact O-N 2.85Å; P151-Y153 VanDerWaalsContact O-N 3.15Å; P151-F158 HydrophobicContact CB-CD1 4.25Å; P151-F158 HydrophobicContact CB-CD2 3.63Å; P151-F158 HydrophobicContact CB-CE1 4.1Å; P151-F158 HydrophobicContact CB-CE2 3.41Å; P151-F158 VanDerWaalsContact CB-CE2 3.41Å; P151-F158 HydrophobicContact CB-CG 4.04Å; P151-F158 HydrophobicContact CB-CZ 3.66Å; P151-F158 HydrophobicContact CG-CD2 4.13Å; P151-F158 HydrophobicContact CG-CE1 4.44Å; P151-F158 HydrophobicContact CG-CE2 3.41Å; P151-F158 VanDerWaalsContact CG-CE2 3.41Å; P151-F158 HydrophobicContact CG-CZ 3.6Å
152V96.8Very high96.6Very high1 Ų133.5 Ų33.51%0.00616%0.162CC..  trans-75.899.9163.1-177.60000106.9I74 V144 W146 A154 Y155 W476I74-V152 HydrophobicContact CD1-CG1 3.7Å; V144-V152 HydrophobicContact CB-CG2 4.31Å; V144-V152 HydrophobicContact CG1-CB 4.39Å; V144-V152 HydrophobicContact CG1-CG2 3.76Å; V144-V152 PolarHBondContact O-N 2.88Å; W146-V152 HydrophobicContact CD2-CG2 3.87Å; W146-V152 HydrophobicContact CE3-CG2 4.4Å; W146-V152 HydrophobicContact CG-CG2 4.17Å; W146-V152 HydrophobicContact CZ2-CG1 3.99Å; W146-V152 HydrophobicContact CZ2-CG2 4.07Å; V152-A154 PolarHBondContact O-N 3.28Å; V152-A154 VanDerWaalsContact O-N 3.13Å; V152-Y155 WeakPolarHBondContact O-CB 3.49Å; V152-Y155 PolarHBondContact O-N 3.48Å; V152-W476 HydrophobicContact CG1-CH2 3.94Å; V152-W476 HydrophobicContact CG1-CZ2 4.37Å; V152-W476 HydrophobicContact CG1-CZ3 4.42Å
153Y96.3Very high96.6Very high97 Ų9733.5 Ų33.538%0.3816%0.162SC..THydrogen-bonded Turntrans-62.5-22.3-172-70.2-71.7000114.2Q150 P151 Y155 F158 V159Q150-Y153 PolarHBondContact OE1-OH 2.99Å; P151-Y153 HydrophobicContact CB-CE1 4.37Å; P151-Y153 HydrophobicContact CG-CE1 4.39Å; P151-Y153 PolarHBondContact O-N 2.85Å; P151-Y153 VanDerWaalsContact O-N 3.15Å; Y153-Y155 VanDerWaalsContact C-N 3.28Å; Y153-F158 AromaticContact CD1-CD1 3.89Å; Y153-F158 HydrophobicContact CD1-CD1 3.89Å; Y153-F158 AromaticContact CD1-CE1 3.32Å; Y153-F158 HydrophobicContact CD1-CE1 3.32Å; Y153-F158 HydrophobicContact CD1-CZ 4.1Å; Y153-F158 HydrophobicContact CE1-CD1 4.46Å; Y153-F158 AromaticContact CE1-CE1 3.52Å; Y153-F158 HydrophobicContact CE1-CE1 3.52Å; Y153-F158 AromaticContact CE1-CZ 3.84Å; Y153-F158 HydrophobicContact CE1-CZ 3.84Å; Y153-F158 HydrophobicContact CG-CE1 4.48Å; Y153-V159 WeakPolarHBondContact O-CG2 2.92Å
154A96.7Very high96.7Very high0 Ų033.4 Ų33.40%016%0.161CC..THydrogen-bonded Turntrans-78.6-6.6173.100000114.2V152 W476V152-A154 PolarHBondContact O-N 3.28Å; V152-A154 VanDerWaalsContact O-N 3.13Å; A154-W476 HydrophobicContact CB-CB 4.02Å; A154-W476 HydrophobicContact CB-CD2 3.35Å; A154-W476 HydrophobicContact CB-CE3 3.76Å; A154-W476 HydrophobicContact CB-CG 3.51Å; A154-W476 HydrophobicContact CB-CZ2 4.32Å; A154-W476 HydrophobicContact CB-CZ3 4.43Å
155Y97.8Very high96.8Very high1 Ų138.8 Ų38.80%0.00418%0.184CC..  trans-70127.3-176.6-179.2-119.5000111.5L42 P43 I74 C142 D143 V144 V152 Y153 R157 F158 V159L42-Y155 HydrophobicContact CB-CE2 4.2Å; L42-Y155 WeakPolarHBondContact CB-OH 3.41Å; L42-Y155 HydrophobicContact CD1-CE2 4.44Å; P43-Y155 VanDerWaalsContact CD-OH 3.22Å; P43-Y155 WeakPolarHBondContact CD-OH 3.39Å; P43-Y155 HydrophobicContact CG-CE2 4.2Å; P43-Y155 VanDerWaalsContact O-CE2 3.26Å; P43-Y155 WeakPolarHBondContact O-CE2 3.37Å; I74-Y155 HydrophobicContact CD1-CD2 4.2Å; I74-Y155 HydrophobicContact CG2-CD2 4.28Å; C142-Y155 PolarHBondContact O-OH 3.21Å; D143-Y155 HydrophobicContact CB-CE1 4.42Å; V144-Y155 HydrophobicContact CB-CD1 4.37Å; V144-Y155 HydrophobicContact CB-CD2 4.06Å; V144-Y155 HydrophobicContact CB-CE2 4.41Å; V144-Y155 HydrophobicContact CB-CG 4.08Å; V144-Y155 HydrophobicContact CG2-CD1 4.33Å; V144-Y155 HydrophobicContact CG2-CD2 3.61Å; V144-Y155 HydrophobicContact CG2-CE1 4.21Å; V144-Y155 HydrophobicContact CG2-CE2 3.51Å; V144-Y155 HydrophobicContact CG2-CG 4.07Å; V152-Y155 WeakPolarHBondContact O-CB 3.49Å; V152-Y155 PolarHBondContact O-N 3.48Å; Y153-Y155 VanDerWaalsContact C-N 3.28Å; Y155-R157 VanDerWaalsContact C-N 3.33Å; Y155-R157 HydrophobicContact CD1-CB 3.97Å; Y155-R157 HydrophobicContact CE1-CB 3.39Å; Y155-R157 PolarHBondContact O-N 3.34Å; Y155-R157 VanDerWaalsContact O-N 3.17Å; Y155-F158 HydrophobicContact CD1-CB 4.19Å; Y155-F158 WeakPolarHBondContact O-CB 3.4Å; Y155-F158 PolarHBondContact O-N 3.1Å; Y155-V159 PolarHBondContact O-N 3Å
156P97.7Very high96.8Very high0 Ų038.9 Ų38.90%019%0.186CC..Hα-helixtrans-48.7-48.3-172.4-30.532000114.8P43 D44 F158 V159 A160 Y410 H411P43-P156 HydrophobicContact CB-CB 4.31Å; P43-P156 HydrophobicContact CB-CG 4.27Å; P43-P156 HydrophobicContact CG-CB 4.05Å; P43-P156 HydrophobicContact CG-CG 4.29Å; D44-P156 VanDerWaalsContact O-CG 3.32Å; D44-P156 WeakPolarHBondContact O-CG 3.09Å; P156-F158 VanDerWaalsContact C-N 3.35Å; P156-F158 PolarHBondContact O-N 3.15Å; P156-V159 PolarHBondContact O-N 2.72Å; P156-A160 PolarHBondContact O-N 2.64Å; P156-Y410 HydrophobicContact CB-CD2 4.31Å; P156-Y410 HydrophobicContact CB-CG 4.38Å; P156-H411 WeakPolarHBondContact CB-NE2 3.49Å; P156-H411 VanDerWaalsContact CG-NE2 3.31Å; P156-H411 WeakPolarHBondContact CG-NE2 3.37Å
157R98Very high96.9Very high1 Ų138.5 Ų38.50%0.00419%0.185CC..Hα-helixtrans-67.7-36.8-176.5-161.5167.3-178.5-92.3-2.1111.7D101 D143 Y155 A160 Q161 L270 D274 Y410D101-R157 IonicContact OD2-CZ 3.94Å; D101-R157 VanDerWaalsContact OD2-CZ 3.31Å; D101-R157 IonicContact OD2-NH1 3.57Å; D101-R157 PolarHBondContact OD2-NH1 2.68Å; D101-R157 IonicContact OD2-NH2 2.62Å; D101-R157 PolarHBondContact OD2-NH2 3.49Å; D143-R157 WeakPolarHBondContact OD1-CD 3.4Å; D143-R157 IonicContact OD1-CZ 3.69Å; D143-R157 IonicContact OD1-NH1 3.11Å; D143-R157 PolarHBondContact OD1-NH1 2.75Å; D143-R157 IonicContact OD2-NH1 2.64Å; D143-R157 PolarHBondContact OD2-NH1 2.98Å; Y155-R157 VanDerWaalsContact C-N 3.33Å; Y155-R157 HydrophobicContact CD1-CB 3.97Å; Y155-R157 HydrophobicContact CE1-CB 3.39Å; Y155-R157 PolarHBondContact O-N 3.34Å; Y155-R157 VanDerWaalsContact O-N 3.17Å; R157-A160 PolarHBondContact O-N 3Å; R157-Q161 WeakPolarHBondContact O-CB 3.28Å; R157-Q161 VanDerWaalsContact O-CG 3.23Å; R157-Q161 WeakPolarHBondContact O-CG 3.31Å; R157-Q161 PolarHBondContact O-N 3.03Å; R157-L270 HydrophobicContact CG-CD1 4.38Å; R157-L270 HydrophobicContact CG-CD2 3.93Å; R157-D274 IonicContact CZ-OD1 3.11Å; R157-D274 IonicContact CZ-OD2 3.16Å; R157-D274 IonicContact NE-OD1 3.88Å; R157-D274 PolarHBondContact NE-OD1 3.18Å; R157-D274 IonicContact NE-OD2 2.69Å; R157-D274 IonicContact NH2-OD1 2.85Å; R157-D274 IonicContact NH2-OD2 2.97Å; R157-D274 PolarHBondContact NH2-OD2 3.43Å; R157-D274 VanDerWaalsContact NH2-OD2 3.11Å; R157-Y410 HydrophobicContact CB-CD1 4.2Å; R157-Y410 HydrophobicContact CB-CE1 4.24Å; R157-Y410 HydrophobicContact CG-CD1 4.03Å; R157-Y410 HydrophobicContact CG-CE1 3.76Å
158F97.4Very high97.1Very high38 Ų3839.1 Ų39.117%0.16718%0.182CC..Hα-helixtrans-66.1-40.1178-169.5-92.9000112.1P151 Y153 Y155 P156 A160 Q161 R162P151-F158 HydrophobicContact CB-CD1 4.25Å; P151-F158 HydrophobicContact CB-CD2 3.63Å; P151-F158 HydrophobicContact CB-CE1 4.1Å; P151-F158 HydrophobicContact CB-CE2 3.41Å; P151-F158 VanDerWaalsContact CB-CE2 3.41Å; P151-F158 HydrophobicContact CB-CG 4.04Å; P151-F158 HydrophobicContact CB-CZ 3.66Å; P151-F158 HydrophobicContact CG-CD2 4.13Å; P151-F158 HydrophobicContact CG-CE1 4.44Å; P151-F158 HydrophobicContact CG-CE2 3.41Å; P151-F158 VanDerWaalsContact CG-CE2 3.41Å; P151-F158 HydrophobicContact CG-CZ 3.6Å; Y153-F158 AromaticContact CD1-CD1 3.89Å; Y153-F158 HydrophobicContact CD1-CD1 3.89Å; Y153-F158 AromaticContact CD1-CE1 3.32Å; Y153-F158 HydrophobicContact CD1-CE1 3.32Å; Y153-F158 HydrophobicContact CD1-CZ 4.1Å; Y153-F158 HydrophobicContact CE1-CD1 4.46Å; Y153-F158 AromaticContact CE1-CE1 3.52Å; Y153-F158 HydrophobicContact CE1-CE1 3.52Å; Y153-F158 AromaticContact CE1-CZ 3.84Å; Y153-F158 HydrophobicContact CE1-CZ 3.84Å; Y153-F158 HydrophobicContact CG-CE1 4.48Å; Y155-F158 HydrophobicContact CD1-CB 4.19Å; Y155-F158 WeakPolarHBondContact O-CB 3.4Å; Y155-F158 PolarHBondContact O-N 3.1Å; P156-F158 VanDerWaalsContact C-N 3.35Å; P156-F158 PolarHBondContact O-N 3.15Å; F158-A160 VanDerWaalsContact C-N 3.34Å; F158-A160 PolarHBondContact O-N 2.77Å; F158-Q161 PolarHBondContact O-N 3.19Å; F158-R162 WeakPolarHBondContact O-CB 3.45Å; F158-R162 PolarHBondContact O-N 3.21Å
159V98.3Very high97.3Very high2 Ų239.3 Ų39.31%0.01218%0.183CC..Hα-helixtrans-59.7-46.6175.8179.30000110.6Y153 Y155 P156 L163 A414 L469 F473Y153-V159 WeakPolarHBondContact O-CG2 2.92Å; Y155-V159 PolarHBondContact O-N 3Å; P156-V159 PolarHBondContact O-N 2.72Å; V159-L163 HydrophobicContact CG1-CD1 4.31Å; V159-L163 PolarHBondContact O-N 2.6Å; V159-A414 HydrophobicContact CG1-CB 3.85Å; V159-L469 HydrophobicContact CG1-CD2 4.31Å; V159-L469 WeakPolarHBondContact CG1-O 3.18Å; V159-F473 HydrophobicContact CG1-CD1 4.48Å; V159-F473 HydrophobicContact CG2-CB 3.76Å; V159-F473 HydrophobicContact CG2-CD1 4.48Å; V159-F473 HydrophobicContact CG2-CD2 3.97Å; V159-F473 HydrophobicContact CG2-CG 3.78Å
160A98.6Very high97.5Very high0 Ų040.4 Ų40.40%018%0.183CC..Hα-helixtrans-63.3-48.3176.800000112.4P156 R157 F158 R162 L163 I164 L270 Y410 L413P156-A160 PolarHBondContact O-N 2.64Å; R157-A160 PolarHBondContact O-N 3Å; F158-A160 VanDerWaalsContact C-N 3.34Å; F158-A160 PolarHBondContact O-N 2.77Å; A160-R162 VanDerWaalsContact C-N 3.34Å; A160-R162 PolarHBondContact O-N 3.04Å; A160-L163 PolarHBondContact O-N 2.94Å; A160-I164 WeakPolarHBondContact O-CG1 3.47Å; A160-I164 PolarHBondContact O-N 2.95Å; A160-L270 HydrophobicContact CB-CD1 3.62Å; A160-Y410 HydrophobicContact CB-CD1 4.41Å; A160-L413 HydrophobicContact CB-CD2 4.09Å
161Q98.3Very high97.6Very high43 Ų4338.7 Ų38.720%0.20117%0.173CC..Hα-helixtrans-54.7-47.2177-76.9168.2-16.600112.1D143 R157 F158 L163 I164 K165 L270D143-Q161 PolarHBondContact OD1-NE2 3.14Å; D143-Q161 PolarHBondContact OD2-NE2 3.25Å; R157-Q161 WeakPolarHBondContact O-CB 3.28Å; R157-Q161 VanDerWaalsContact O-CG 3.23Å; R157-Q161 WeakPolarHBondContact O-CG 3.31Å; R157-Q161 PolarHBondContact O-N 3.03Å; F158-Q161 PolarHBondContact O-N 3.19Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; Q161-L163 PolarHBondContact O-N 2.81Å; Q161-I164 PolarHBondContact O-N 3.28Å; Q161-K165 WeakPolarHBondContact O-CB 3.4Å; Q161-K165 PolarHBondContact O-N 3.03Å; Q161-L270 HydrophobicContact CG-CD1 4.39Å; Q161-L270 HydrophobicContact CG-CD2 3.52Å
162R98.1Very high97.7Very high79 Ų7941 Ų4130%0.29818%0.184SC..Hα-helixtrans-59.6-44.7179.8179.6-17959.584.22.7111.8F158 A160 K165 E166 K468 L469F158-R162 WeakPolarHBondContact O-CB 3.45Å; F158-R162 PolarHBondContact O-N 3.21Å; A160-R162 VanDerWaalsContact C-N 3.34Å; A160-R162 PolarHBondContact O-N 3.04Å; R162-K165 PolarHBondContact O-N 2.88Å; R162-E166 PolarHBondContact O-N 2.92Å; R162-K468 VanDerWaalsContact CZ-O 3.32Å; R162-K468 PolarHBondContact NH1-O 3.01Å; R162-K468 VanDerWaalsContact NH1-O 3.08Å; R162-K468 PolarHBondContact NH2-O 2.96Å; R162-L469 PolarHBondContact NH2-O 2.91Å
163L98.5Very high97.8Very high0 Ų041 Ų410%019%0.185CC..Hα-helixtrans-72.5-36.4-177.9-76167.3000112.6V159 A160 Q161 K165 E166 L167 A414 I417 A418 L421 L469V159-L163 HydrophobicContact CG1-CD1 4.31Å; V159-L163 PolarHBondContact O-N 2.6Å; A160-L163 PolarHBondContact O-N 2.94Å; Q161-L163 VanDerWaalsContact C-N 3.34Å; Q161-L163 PolarHBondContact O-N 2.81Å; L163-K165 VanDerWaalsContact C-N 3.33Å; L163-E166 PolarHBondContact O-N 3.22Å; L163-L167 WeakPolarHBondContact O-CB 3.4Å; L163-L167 PolarHBondContact O-N 3.43Å; L163-A414 HydrophobicContact CD1-CB 3.75Å; L163-A414 WeakPolarHBondContact CD1-O 3.28Å; L163-I417 HydrophobicContact CB-CB 4.19Å; L163-I417 HydrophobicContact CB-CD1 4.33Å; L163-I417 HydrophobicContact CB-CG2 3.9Å; L163-I417 HydrophobicContact CD2-CG2 4.44Å; L163-A418 HydrophobicContact CD1-CB 4.11Å; L163-A418 HydrophobicContact CD2-CB 4.34Å; L163-L421 HydrophobicContact CD2-CD1 4.37Å; L163-L469 HydrophobicContact CD1-CD2 4.21Å
164I98.5Very high97.9Very high13 Ų1339.9 Ų39.97%0.06718%0.18CC..Hα-helixtrans-60.7-46.1170.1-70.2164.7000109.9A160 Q161 E166 L167 E168 L270 L413 I417A160-I164 WeakPolarHBondContact O-CG1 3.47Å; A160-I164 PolarHBondContact O-N 2.95Å; Q161-I164 PolarHBondContact O-N 3.28Å; I164-E166 VanDerWaalsContact C-N 3.34Å; I164-E166 PolarHBondContact O-N 3.29Å; I164-L167 WeakPolarHBondContact O-CB 3.44Å; I164-L167 PolarHBondContact O-N 3.34Å; I164-E168 WeakPolarHBondContact O-CG 3.39Å; I164-E168 PolarHBondContact O-N 2.92Å; I164-L270 HydrophobicContact CD1-CB 3.72Å; I164-L270 HydrophobicContact CD1-CD1 3.98Å; I164-L270 HydrophobicContact CD1-CG 4.48Å; I164-L413 HydrophobicContact CD1-CD1 4.42Å; I164-L413 HydrophobicContact CD1-CD2 3.87Å; I164-L413 HydrophobicContact CG1-CD2 3.94Å; I164-I417 HydrophobicContact CG1-CD1 3.67Å
165K98Very high98Very high115 Ų11540 Ų4050%0.518%0.18SC..Hα-helixtrans-62.2-41.2178.4-177165.6-178.552.60112.3Q161 R162 L163 L167 E168 D169Q161-K165 WeakPolarHBondContact O-CB 3.4Å; Q161-K165 PolarHBondContact O-N 3.03Å; R162-K165 PolarHBondContact O-N 2.88Å; L163-K165 VanDerWaalsContact C-N 3.33Å; K165-L167 VanDerWaalsContact C-N 3.35Å; K165-E168 PolarHBondContact O-N 2.86Å; K165-D169 WeakPolarHBondContact CE-OD2 3.44Å; K165-D169 VanDerWaalsContact CG-OD2 3.22Å; K165-D169 WeakPolarHBondContact CG-OD2 3.05Å; K165-D169 IonicContact NZ-OD1 3.34Å; K165-D169 PolarHBondContact NZ-OD1 2.84Å; K165-D169 IonicContact NZ-OD2 3.05Å; K165-D169 PolarHBondContact NZ-OD2 3.23Å; K165-D169 VanDerWaalsContact O-CB 3.32Å; K165-D169 WeakPolarHBondContact O-CB 3.41Å; K165-D169 PolarHBondContact O-N 3.04Å
166E98Very high98Very high46 Ų4643.1 Ų43.122%0.21519%0.193CC..Hα-helixtrans-61.4-43.9174.7-177.1173.7173.900111.6R162 L163 I164 E168 K170 Y171 L421R162-E166 PolarHBondContact O-N 2.92Å; L163-E166 PolarHBondContact O-N 3.22Å; I164-E166 VanDerWaalsContact C-N 3.34Å; I164-E166 PolarHBondContact O-N 3.29Å; E166-E168 VanDerWaalsContact C-N 3.32Å; E166-E168 PolarHBondContact O-N 3.41Å; E166-K170 HydrophobicContact CG-CB 4.45Å; E166-K170 HydrophobicContact CG-CD 4.29Å; E166-K170 VanDerWaalsContact O-CB 3.24Å; E166-K170 WeakPolarHBondContact O-CB 3.43Å; E166-K170 PolarHBondContact O-N 3.12Å; E166-K170 IonicContact OE1-NZ 3.71Å; E166-K170 PolarHBondContact OE1-NZ 3.31Å; E166-Y171 HydrophobicContact CG-CE2 4.37Å; E166-L421 HydrophobicContact CG-CD1 4.15Å
167L97.7Very high98.1Very high0 Ų043.1 Ų43.10%019%0.193CC..Hα-helixtrans-58.1-43.7176.6-174.972.4000111.7L163 I164 K165 Y171 N172 L173 L175 L315 W341 I417 L421L163-L167 WeakPolarHBondContact O-CB 3.4Å; L163-L167 PolarHBondContact O-N 3.43Å; I164-L167 WeakPolarHBondContact O-CB 3.44Å; I164-L167 PolarHBondContact O-N 3.34Å; K165-L167 VanDerWaalsContact C-N 3.35Å; L167-Y171 WeakPolarHBondContact O-CB 3.31Å; L167-Y171 PolarHBondContact O-N 3Å; L167-N172 PolarHBondContact O-N 3.27Å; L167-L173 CarbonylContact C-O 3.6Å; L167-L173 HydrophobicContact CD1-CB 3.8Å; L167-L173 HydrophobicContact CD1-CD1 4.04Å; L167-L173 HydrophobicContact CG-CB 3.8Å; L167-L173 PolarHBondContact O-N 3.11Å; L167-L175 HydrophobicContact CD2-CB 4.05Å; L167-L315 HydrophobicContact CD1-CD1 4.35Å; L167-L315 HydrophobicContact CD1-CD2 4.36Å; L167-L315 HydrophobicContact CD2-CD2 3.77Å; L167-W341 HydrophobicContact CD1-CH2 4.23Å; L167-W341 HydrophobicContact CD1-CZ3 4.14Å; L167-I417 HydrophobicContact CB-CG2 4.45Å; L167-L421 HydrophobicContact CD1-CD2 3.84Å
168E97.5Very high98.1Very high77 Ų7743.2 Ų43.236%0.3619%0.194SC..Hα-helixtrans-71.9-55.1179.6-69.9178.8164.100112I164 K165 E166 N172 L173 R174I164-E168 WeakPolarHBondContact O-CG 3.39Å; I164-E168 PolarHBondContact O-N 2.92Å; K165-E168 PolarHBondContact O-N 2.86Å; E166-E168 VanDerWaalsContact C-N 3.32Å; E166-E168 PolarHBondContact O-N 3.41Å; E168-N172 VanDerWaalsContact O-CA 3.23Å; E168-N172 WeakPolarHBondContact O-CA 3.49Å; E168-N172 PolarHBondContact O-N 3.15Å; E168-L173 VanDerWaalsContact CA-O 3.28Å; E168-L173 WeakPolarHBondContact CA-O 3.37Å; E168-L173 VanDerWaalsContact CG-O 3.3Å; E168-L173 WeakPolarHBondContact CG-O 3.31Å; E168-L173 PolarHBondContact N-O 3.18Å; E168-R174 HydrophobicContact CG-CG 4.33Å
169D97.5Very high98.1Very high110 Ų11041.4 Ų41.459%0.58819%0.186SC*.Hα-helixtrans-70.6-40.6-171.1-69.6-14.5000112.5K165K165-D169 WeakPolarHBondContact CE-OD2 3.44Å; K165-D169 VanDerWaalsContact CG-OD2 3.22Å; K165-D169 WeakPolarHBondContact CG-OD2 3.05Å; K165-D169 IonicContact NZ-OD1 3.34Å; K165-D169 PolarHBondContact NZ-OD1 2.84Å; K165-D169 IonicContact NZ-OD2 3.05Å; K165-D169 PolarHBondContact NZ-OD2 3.23Å; K165-D169 VanDerWaalsContact O-CB 3.32Å; K165-D169 WeakPolarHBondContact O-CB 3.41Å; K165-D169 PolarHBondContact O-N 3.04Å
170K97.2Very high98.1Very high119 Ų11942.8 Ų42.852%0.51719%0.192SC..Hα-helixtrans-93.5-30.5-172.7-175.2177.6167.8-154.80112.8E166 E425E166-K170 HydrophobicContact CG-CB 4.45Å; E166-K170 HydrophobicContact CG-CD 4.29Å; E166-K170 VanDerWaalsContact O-CB 3.24Å; E166-K170 WeakPolarHBondContact O-CB 3.43Å; E166-K170 PolarHBondContact O-N 3.12Å; E166-K170 IonicContact OE1-NZ 3.71Å; E166-K170 PolarHBondContact OE1-NZ 3.31Å; K170-E425 IonicContact NZ-OE1 3.38Å; K170-E425 PolarHBondContact NZ-OE1 2.77Å
171Y97.3Very high98.1Very high53 Ų5342.8 Ų42.821%0.20819%0.192CC..Hα-helixtrans-114.2-7.1-174.7-58.3-93.5000113.8E166 L167 L173 L421 L424 E425E166-Y171 HydrophobicContact CG-CE2 4.37Å; L167-Y171 WeakPolarHBondContact O-CB 3.31Å; L167-Y171 PolarHBondContact O-N 3Å; Y171-L173 PolarHBondContact O-N 2.95Å; Y171-L421 HydrophobicContact CD2-CD2 3.6Å; Y171-L421 HydrophobicContact CE1-CD2 4.33Å; Y171-L421 HydrophobicContact CE2-CD1 4.44Å; Y171-L421 HydrophobicContact CE2-CD2 3.4Å; Y171-L421 HydrophobicContact CE2-CG 4.46Å; Y171-L421 HydrophobicContact CG-CD2 4.18Å; Y171-L424 HydrophobicContact CD1-CD1 4.26Å; Y171-E425 WeakPolarHBondContact OH-CG 2.97Å; Y171-E425 PolarHBondContact OH-OE1 2.95Å
172N97.6Very high98Very high65 Ų6541.8 Ų41.835%0.34819%0.187SC..  trans55.638.1-175-178.264.5000111.3L167 E168 A318L167-N172 PolarHBondContact O-N 3.27Å; E168-N172 VanDerWaalsContact O-CA 3.23Å; E168-N172 WeakPolarHBondContact O-CA 3.49Å; E168-N172 PolarHBondContact O-N 3.15Å; N172-A318 PolarHBondContact O-N 3.41Å; N172-A318 WeakPolarHBondContact OD1-CB 3.28Å
173L98.6Very high97.9Very high2 Ų238 Ų381%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-117.5141.8-179.7-67.8173000110.2L167 E168 Y171 L315 W316 Y317 A324 L337 L424L167-L173 CarbonylContact C-O 3.6Å; L167-L173 HydrophobicContact CD1-CB 3.8Å; L167-L173 HydrophobicContact CD1-CD1 4.04Å; L167-L173 HydrophobicContact CG-CB 3.8Å; L167-L173 PolarHBondContact O-N 3.11Å; E168-L173 VanDerWaalsContact CA-O 3.28Å; E168-L173 WeakPolarHBondContact CA-O 3.37Å; E168-L173 VanDerWaalsContact CG-O 3.3Å; E168-L173 WeakPolarHBondContact CG-O 3.31Å; E168-L173 PolarHBondContact N-O 3.18Å; Y171-L173 PolarHBondContact O-N 2.95Å; L173-L315 HydrophobicContact CD1-CD1 4.03Å; L173-L315 HydrophobicContact CD2-CB 4.46Å; L173-W316 CarbonylContact C-O 3.55Å; L173-W316 WeakPolarHBondContact CA-O 3.15Å; L173-Y317 HydrophobicContact CD2-CD1 3.68Å; L173-Y317 HydrophobicContact CD2-CE1 3.84Å; L173-Y317 HydrophobicContact CD2-CG 4.39Å; L173-A324 HydrophobicContact CD2-CB 3.67Å; L173-L337 HydrophobicContact CD1-CD1 4.15Å; L173-L337 HydrophobicContact CD2-CD1 4.32Å; L173-L424 HydrophobicContact CD1-CD1 4.17Å
174R98.2Very high97.8Very high73 Ų7338 Ų3828%0.27517%0.173SC..EExtended strand (participates in β ladder)trans-116.4142.1173.8-64.7175.468.7-157.1-1.2109.2E168 W268 L315 W316 A318E168-R174 HydrophobicContact CG-CG 4.33Å; R174-W268 HydrophobicContact CB-CE3 4.1Å; R174-W268 HydrophobicContact CB-CZ3 4.04Å; R174-L315 WeakPolarHBondContact O-CA 3.48Å; R174-W316 PolarHBondContact N-O 3.35Å; R174-W316 PolarHBondContact O-N 3.09Å; R174-A318 HydrophobicContact CG-CB 3.76Å
175L98.7Very high97.7Very high2 Ų237.4 Ų37.41%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-89.3131.1177178.766.8000110.3L167 W268 G269 Y311 H313 L315 L413 I417L167-L175 HydrophobicContact CD2-CB 4.05Å; L175-W268 WeakPolarHBondContact O-CA 3.31Å; L175-G269 PolarHBondContact O-N 3.41Å; L175-Y311 WeakPolarHBondContact CD2-OH 3.48Å; L175-H313 HydrophobicContact CD1-CB 3.88Å; L175-L315 HydrophobicContact CB-CD2 4.47Å; L175-L315 HydrophobicContact CD1-CD2 3.98Å; L175-L413 HydrophobicContact CD2-CD1 3.79Å; L175-L413 HydrophobicContact CD2-CD2 4.08Å; L175-L413 HydrophobicContact CD2-CG 3.77Å; L175-I417 HydrophobicContact CD2-CD1 3.99Å; L175-I417 HydrophobicContact CD2-CG1 4.4Å
176Y98.5Very high97.6Very high67 Ų6732 Ų3226%0.26315%0.146SC..EExtended strand (participates in β ladder)trans-123.3113.7169-170.7-121.1000108.8P266 T267 W268 H313 S314Y176-P266 HydrophobicContact CD1-CB 3.95Å; Y176-P266 HydrophobicContact CD2-CB 4.46Å; Y176-P266 HydrophobicContact CE1-CB 3.51Å; Y176-P266 HydrophobicContact CE1-CG 4.41Å; Y176-P266 VanDerWaalsContact CE2-C 3.42Å; Y176-P266 HydrophobicContact CE2-CB 4.05Å; Y176-P266 WeakPolarHBondContact CE2-O 3.23Å; Y176-P266 HydrophobicContact CG-CB 4.4Å; Y176-P266 PolarHBondContact OH-O 3.4Å; Y176-T267 WeakPolarHBondContact CA-O 3.36Å; Y176-T267 VanDerWaalsContact CD2-C 3.5Å; Y176-T267 WeakPolarHBondContact CD2-O 3.47Å; Y176-W268 AromaticContact CD2-CD2 3.66Å; Y176-W268 HydrophobicContact CD2-CD2 3.66Å; Y176-W268 AromaticContact CD2-CE2 3.63Å; Y176-W268 AromaticContact CD2-CE3 3.99Å; Y176-W268 HydrophobicContact CD2-CE3 3.99Å; Y176-W268 HydrophobicContact CD2-CG 4.06Å; Y176-W268 HydrophobicContact CD2-CH2 4.25Å; Y176-W268 AromaticContact CD2-CZ2 3.95Å; Y176-W268 HydrophobicContact CD2-CZ2 3.95Å; Y176-W268 HydrophobicContact CD2-CZ3 4.28Å; Y176-W268 AromaticContact CD2-NE1 3.98Å; Y176-W268 HydrophobicContact CE2-CD2 4.39Å; Y176-W268 HydrophobicContact CE2-CZ2 4.38Å; Y176-W268 AromaticContact CE2-NE1 3.96Å; Y176-W268 HydrophobicContact CG-CD2 4.43Å; Y176-W268 HydrophobicContact CG-CE3 4.34Å; Y176-W268 HydrophobicContact CG-CH2 4.25Å; Y176-W268 HydrophobicContact CG-CZ2 4.33Å; Y176-W268 HydrophobicContact CG-CZ3 4.26Å; Y176-H313 CarbonylContact O-C 3.51Å; Y176-H313 WeakPolarHBondContact O-CA 3.23Å; Y176-S314 PolarHBondContact N-O 3.04Å; Y176-S314 PolarHBondContact O-N 3Å; Y176-S314 PolarHBondContact O-OG 3.42Å
177S98.7Very high97.4Very high1 Ų132.3 Ų32.31%0.00715%0.151CC..EExtended strand (participates in β ladder)trans-151162.1-168.861.80000115P266 T267 A272 Y311 N312S177-P266 CarbonylContact O-C 3.59Å; S177-P266 VanDerWaalsContact O-CA 3.25Å; S177-P266 WeakPolarHBondContact O-CA 3.34Å; S177-T267 PolarHBondContact N-O 3.33Å; S177-T267 PolarHBondContact O-N 2.8Å; S177-A272 VanDerWaalsContact O-CB 3.23Å; S177-A272 WeakPolarHBondContact O-CB 3.33Å; S177-A272 VanDerWaalsContact OG-CB 3.31Å; S177-A272 WeakPolarHBondContact OG-CB 3.33Å; S177-Y311 VanDerWaalsContact CB-OH 3.24Å; S177-Y311 WeakPolarHBondContact CB-OH 3.13Å; S177-Y311 PolarHBondContact OG-OH 3.38Å; S177-N312 CarbonylContact C-O 3.5Å; S177-N312 WeakPolarHBondContact CA-O 3.49Å; S177-N312 WeakPolarHBondContact CB-O 3.47Å
178A98.4Very high97Very high3 Ų337.8 Ų37.83%0.02518%0.175CC..EExtended strand (participates in β ladder)trans-146162.1175.700000111.3L264 P266 Y311 N312A178-L264 HydrophobicContact CB-CB 4.44Å; A178-L264 WeakPolarHBondContact CB-O 3.5Å; A178-P266 HydrophobicContact CB-CB 4.11Å; A178-P266 HydrophobicContact CB-CG 3.74Å; A178-Y311 WeakPolarHBondContact O-CD2 3.47Å; A178-N312 PolarHBondContact N-O 2.82Å; A178-N312 PolarHBondContact O-N 3.12Å
179F98.6Very high96.5Very high0 Ų035.3 Ų35.30%017%0.171CC..EExtended strand (participates in β ladder)trans-111.4141.6170.2-66.7-93.8000109.8P181 L264 A272 A273 Y276 H310 Y311 S409 V412F179-P181 WeakPolarHBondContact O-CD 3.28Å; F179-L264 HydrophobicContact CB-CD1 4.46Å; F179-L264 PolarHBondContact O-N 2.97Å; F179-A272 WeakPolarHBondContact CD2-O 3.47Å; F179-A273 HydrophobicContact CE2-CB 4.36Å; F179-Y276 HydrophobicContact CB-CD1 3.8Å; F179-Y276 HydrophobicContact CB-CG 3.89Å; F179-Y276 AromaticContact CD1-CD1 3.66Å; F179-Y276 HydrophobicContact CD1-CD1 3.66Å; F179-Y276 HydrophobicContact CD1-CE1 4.16Å; F179-Y276 HydrophobicContact CD2-CD1 4.05Å; F179-Y276 HydrophobicContact CD2-CG 4.28Å; F179-Y276 HydrophobicContact CE1-CD1 4.22Å; F179-Y276 AromaticContact CG-CD1 3.56Å; F179-Y276 HydrophobicContact CG-CD1 3.56Å; F179-Y276 HydrophobicContact CG-CE1 4.4Å; F179-Y276 AromaticContact CG-CG 3.99Å; F179-Y276 HydrophobicContact CG-CG 3.99Å; F179-H310 CarbonylContact C-O 3.31Å; F179-H310 WeakPolarHBondContact CA-O 3.33Å; F179-Y311 AromaticContact CD1-CD2 3.77Å; F179-Y311 HydrophobicContact CD1-CD2 3.77Å; F179-Y311 HydrophobicContact CD1-CG 4.49Å; F179-Y311 HydrophobicContact CD2-CD2 4.13Å; F179-Y311 HydrophobicContact CD2-CE2 4.3Å; F179-Y311 AromaticContact CE1-CD2 3.43Å; F179-Y311 HydrophobicContact CE1-CD2 3.43Å; F179-Y311 VanDerWaalsContact CE1-CD2 3.43Å; F179-Y311 HydrophobicContact CE1-CE2 4.05Å; F179-Y311 HydrophobicContact CE1-CG 4.11Å; F179-Y311 AromaticContact CE2-CD2 3.8Å; F179-Y311 HydrophobicContact CE2-CD2 3.8Å; F179-Y311 AromaticContact CE2-CE2 3.68Å; F179-Y311 HydrophobicContact CE2-CE2 3.68Å; F179-Y311 HydrophobicContact CG-CD2 4.11Å; F179-Y311 AromaticContact CZ-CD2 3.44Å; F179-Y311 HydrophobicContact CZ-CD2 3.44Å; F179-Y311 VanDerWaalsContact CZ-CD2 3.44Å; F179-Y311 AromaticContact CZ-CE2 3.54Å; F179-Y311 HydrophobicContact CZ-CE2 3.54Å; F179-Y311 HydrophobicContact CZ-CG 4.4Å; F179-S409 WeakPolarHBondContact CZ-O 3.33Å; F179-V412 HydrophobicContact CE1-CB 4Å; F179-V412 HydrophobicContact CE1-CG1 3.88Å; F179-V412 HydrophobicContact CZ-CB 4.44Å; F179-V412 HydrophobicContact CZ-CG1 4.48Å
180E97.7Very high96.1Very high30 Ų3030.8 Ų30.814%0.1415%0.148CC..EExtended strand (participates in β ladder)trans-109.375.7173.5-65.3177.1-178.800109.4E182 P263 C309 H310 N312E180-E182 PolarHBondContact O-N 3.36Å; E180-P263 HydrophobicContact CB-CB 4.35Å; E180-P263 HydrophobicContact CG-CB 3.93Å; E180-C309 VanDerWaalsContact O-CA 3.3Å; E180-C309 WeakPolarHBondContact O-CA 3.39Å; E180-H310 HydrophobicContact CB-CB 4.13Å; E180-H310 HydrophobicContact CG-CB 4.5Å; E180-H310 PolarHBondContact N-O 2.68Å; E180-H310 PolarHBondContact O-N 3.17Å; E180-H310 WeakPolarHBondContact OE2-CB 3.27Å; E180-H310 IonicContact OE2-CG 3.97Å; E180-H310 IonicContact OE2-ND1 3.89Å; E180-H310 PolarHBondContact OE2-ND1 2.95Å; E180-N312 VanDerWaalsContact CG-ND2 3.35Å; E180-N312 WeakPolarHBondContact CG-ND2 3.46Å; E180-N312 PolarHBondContact OE1-ND2 3.01Å
181P97.4Very high95.6Very high0 Ų025.7 Ų25.70%013%0.125CC..EExtended strand (participates in β ladder)trans-78.2124.6-175.231-35.6000112.5F179 C262 Y276 L279 F296F179-P181 WeakPolarHBondContact O-CD 3.28Å; P181-C262 WeakPolarHBondContact CD-O 3.04Å; P181-C262 PolarHBondContact O-N 2.72Å; P181-Y276 HydrophobicContact CB-CD2 4.07Å; P181-Y276 HydrophobicContact CB-CE2 3.36Å; P181-Y276 HydrophobicContact CG-CD2 3.95Å; P181-Y276 HydrophobicContact CG-CE2 3.74Å; P181-L279 HydrophobicContact CG-CD2 4.02Å; P181-F296 HydrophobicContact CB-CE1 4.15Å
182E96.7Very high94.8Very high22 Ų2230.7 Ų30.710%0.10315%0.15CC..EExtended strand (participates in β ladder)trans-90.7145.3162.5-60.5166.4-164.300110E180 Q259 L260 E261 S307 G308 S405E180-E182 PolarHBondContact O-N 3.36Å; E182-Q259 PolarHBondContact OE2-NE2 3.43Å; E182-L260 CarbonylContact C-O 3.51Å; E182-L260 VanDerWaalsContact CA-O 3.25Å; E182-L260 WeakPolarHBondContact CA-O 3.5Å; E182-E261 HydrophobicContact CG-CB 4.44Å; E182-E261 HydrophobicContact CG-CG 3.97Å; E182-S307 VanDerWaalsContact OE2-CA 3.26Å; E182-S307 WeakPolarHBondContact OE2-CA 3.44Å; E182-G308 WeakPolarHBondContact CB-O 3.43Å; E182-G308 PolarHBondContact N-O 3.36Å; E182-G308 PolarHBondContact OE2-N 2.75Å; E182-S405 WeakPolarHBondContact O-CB 3.23Å; E182-S405 PolarHBondContact O-OG 3.24Å
183F97Very high94Very high1 Ų131.2 Ų31.20%0.00416%0.156CC..EExtended strand (participates in β ladder)trans-151.3173.6176.556.5-89.6000110.9Y233 Q259 L260 C262 V283 I294 F296F183-Y233 HydrophobicContact CE2-CE1 4.24Å; F183-Q259 CarbonylContact O-C 3.58Å; F183-Q259 WeakPolarHBondContact O-CA 3.31Å; F183-L260 HydrophobicContact CD2-CB 4.15Å; F183-L260 HydrophobicContact CD2-CD1 4.4Å; F183-L260 HydrophobicContact CE1-CB 4.4Å; F183-L260 HydrophobicContact CE2-CB 3.72Å; F183-L260 HydrophobicContact CE2-CD1 3.7Å; F183-L260 HydrophobicContact CE2-CG 4.29Å; F183-L260 HydrophobicContact CZ-CB 3.86Å; F183-L260 HydrophobicContact CZ-CD1 4.34Å; F183-L260 PolarHBondContact N-O 2.81Å; F183-L260 PolarHBondContact O-N 2.71Å; F183-C262 HydrophobicContact CE1-CB 4.09Å; F183-V283 HydrophobicContact CZ-CB 4.46Å; F183-V283 HydrophobicContact CZ-CG1 4.36Å; F183-I294 HydrophobicContact CB-CG2 4.35Å; F183-I294 HydrophobicContact CD2-CG2 3.53Å; F183-I294 HydrophobicContact CE2-CG2 4.17Å; F183-I294 HydrophobicContact CG-CG2 4.21Å; F183-F296 HydrophobicContact CB-CD1 3.86Å; F183-F296 HydrophobicContact CB-CD2 4.12Å; F183-F296 HydrophobicContact CB-CE1 3.83Å; F183-F296 HydrophobicContact CB-CE2 4.09Å; F183-F296 HydrophobicContact CB-CG 3.99Å; F183-F296 HydrophobicContact CB-CZ 3.94Å; F183-F296 AromaticContact CD1-CE1 3.98Å; F183-F296 HydrophobicContact CD1-CE1 3.98Å; F183-F296 HydrophobicContact CD1-CZ 4.01Å; F183-F296 HydrophobicContact CG-CE1 4.19Å; F183-F296 HydrophobicContact CG-CE2 4.42Å; F183-F296 HydrophobicContact CG-CZ 4.04Å
184R95.8Very high93.4Very high0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-123.7134.9-174.6-70-118.1-178.5-177.2-0112.7F186 E257 G258 I294 S295 P300 S304 S305R184-F186 HydrophobicContact CB-CD2 4.19Å; R184-F186 HydrophobicContact CB-CE2 3.38Å; R184-F186 HydrophobicContact CB-CZ 3.82Å; R184-F186 HydrophobicContact CG-CE2 4.41Å; R184-F186 HydrophobicContact CG-CZ 4.46Å; R184-E257 PolarHBondContact NH1-O 3.43Å; R184-E257 IonicContact NH1-OE2 3.13Å; R184-G258 CarbonylContact C-O 3.39Å; R184-G258 WeakPolarHBondContact CA-O 3.36Å; R184-I294 CarbonylContact O-C 3.45Å; R184-I294 VanDerWaalsContact O-CA 3.29Å; R184-I294 WeakPolarHBondContact O-CA 3.35Å; R184-S295 PolarHBondContact N-O 3.17Å; R184-S295 PolarHBondContact O-N 3Å; R184-P300 HydrophobicContact CB-CG 4.47Å; R184-P300 HydrophobicContact CG-CG 4Å; R184-S304 PolarHBondContact NH1-OG 2.81Å; R184-S304 VanDerWaalsContact NH1-OG 3.1Å; R184-S304 PolarHBondContact NH2-OG 3.01Å; R184-S305 PolarHBondContact NH2-O 2.9Å
185A96.2Very high92.8Very high0 Ų028.9 Ų28.90%015%0.151CC..EExtended strand (participates in β ladder)trans-99.3129.2170.500000111.5W215 Y230 G258 L260 M292 I294A185-W215 HydrophobicContact CB-CB 3.88Å; A185-W215 PolarHBondContact O-N 3.5Å; A185-Y230 HydrophobicContact CB-CE1 3.99Å; A185-G258 PolarHBondContact N-O 2.89Å; A185-L260 HydrophobicContact CB-CD1 4.12Å; A185-M292 HydrophobicContact CB-CG 4.48Å; A185-M292 HydrophobicContact CB-SD 3.71Å; A185-I294 HydrophobicContact CB-CD1 3.64Å
186F95.4Very high92.2Very high0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-121158.3176.6-62.7-87.9000111.1R184 K188 P212 I213 P214 M292 E293 P300 L301 F510R184-F186 HydrophobicContact CB-CD2 4.19Å; R184-F186 HydrophobicContact CB-CE2 3.38Å; R184-F186 HydrophobicContact CB-CZ 3.82Å; R184-F186 HydrophobicContact CG-CE2 4.41Å; R184-F186 HydrophobicContact CG-CZ 4.46Å; F186-K188 PolarHBondContact O-N 3.28Å; F186-P212 HydrophobicContact CD1-CB 3.79Å; F186-P212 HydrophobicContact CD1-CG 4.2Å; F186-P212 HydrophobicContact CE1-CB 4.03Å; F186-P212 HydrophobicContact CE1-CG 3.9Å; F186-I213 CarbonylContact C-O 3.59Å; F186-I213 WeakPolarHBondContact CA-O 3.33Å; F186-P214 HydrophobicContact CE1-CG 4.48Å; F186-M292 CarbonylContact O-C 3.41Å; F186-M292 VanDerWaalsContact O-CA 3.31Å; F186-M292 WeakPolarHBondContact O-CA 3.37Å; F186-E293 HydrophobicContact CB-CB 4.49Å; F186-E293 PolarHBondContact N-O 3.03Å; F186-E293 PolarHBondContact O-N 2.84Å; F186-P300 HydrophobicContact CE2-CB 4.38Å; F186-P300 HydrophobicContact CE2-CG 4.33Å; F186-P300 HydrophobicContact CZ-CB 3.81Å; F186-P300 HydrophobicContact CZ-CG 3.74Å; F186-L301 HydrophobicContact CE1-CD1 4.35Å; F186-L301 HydrophobicContact CE1-CD2 4.49Å; F186-L301 HydrophobicContact CE1-CG 4.42Å; F186-F510 HydrophobicContact CB-CZ 4.26Å; F186-F510 HydrophobicContact CD1-CE2 4.48Å; F186-F510 HydrophobicContact CD1-CZ 4.26Å; F186-F510 HydrophobicContact CD2-CE1 4.35Å; F186-F510 AromaticContact CD2-CE2 3.73Å; F186-F510 HydrophobicContact CD2-CE2 3.73Å; F186-F510 AromaticContact CD2-CZ 3.33Å; F186-F510 HydrophobicContact CD2-CZ 3.33Å; F186-F510 HydrophobicContact CE1-CE2 4.27Å; F186-F510 HydrophobicContact CE1-CZ 4.5Å; F186-F510 AromaticContact CE2-CE2 3.44Å; F186-F510 HydrophobicContact CE2-CE2 3.44Å; F186-F510 VanDerWaalsContact CE2-CE2 3.44Å; F186-F510 AromaticContact CE2-CZ 3.59Å; F186-F510 HydrophobicContact CE2-CZ 3.59Å; F186-F510 HydrophobicContact CG-CE2 4.23Å; F186-F510 AromaticContact CG-CZ 3.69Å; F186-F510 HydrophobicContact CG-CZ 3.69Å; F186-F510 AromaticContact CZ-CE2 3.76Å; F186-F510 HydrophobicContact CZ-CE2 3.76Å; F186-F510 HydrophobicContact CZ-CZ 4.19Å
187V94Very high91.5Very high53 Ų5331.1 Ų31.132%0.32116%0.164SC..EExtended strand (participates in β ladder)trans-64.7123.9168.1179.50000108.3G189 S190 I213 W215V187-G189 PolarHBondContact O-N 3.38Å; V187-S190 WeakPolarHBondContact O-CB 3.47Å; V187-S190 PolarHBondContact O-N 2.88Å; V187-S190 PolarHBondContact O-OG 2.85Å; V187-I213 HydrophobicContact CB-CB 4.28Å; V187-I213 HydrophobicContact CB-CG2 4.46Å; V187-I213 HydrophobicContact CG2-CB 4.16Å; V187-I213 HydrophobicContact CG2-CG2 3.82Å; V187-I213 PolarHBondContact N-O 2.88Å; V187-W215 HydrophobicContact CG2-CE3 4.04Å
188K89.5Confident90.5Very high115 Ų11531.7 Ų31.750%0.517%0.168SC..THydrogen-bonded Turntrans-54.1131.1179.9-175.1170.6-173.7165.80112.1F186 S190 S288 G291F186-K188 PolarHBondContact O-N 3.28Å; K188-S190 PolarHBondContact O-N 3.4Å; K188-S288 PolarHBondContact NZ-O 3.43Å; K188-S288 PolarHBondContact NZ-OG 2.83Å; K188-G291 WeakPolarHBondContact CB-O 3.48Å; K188-G291 PolarHBondContact N-O 2.95Å
189G87.1Confident89.3Confident26 Ų2638.7 Ų38.727%0.26820%0.198SC..THydrogen-bonded Turntrans78-4.1-178.100000114.9V187 Y191 E293V187-G189 PolarHBondContact O-N 3.38Å; G189-Y191 PolarHBondContact O-N 3Å; G189-E293 PolarHBondContact N-OE2 2.85Å; G189-E293 VanDerWaalsContact N-OE2 3.13Å
190S89.9Confident87.7Confident14 Ų1440.4 Ų40.410%0.09821%0.21CC..THydrogen-bonded Turntrans-70.3-17.9176.168.60000113.6V187 K188 S194 I213V187-S190 WeakPolarHBondContact O-CB 3.47Å; V187-S190 PolarHBondContact O-N 2.88Å; V187-S190 PolarHBondContact O-OG 2.85Å; K188-S190 PolarHBondContact O-N 3.4Å; S190-S194 PolarHBondContact O-OG 2.89Å; S190-I213 PolarHBondContact OG-N 3.34Å
191Y86.8Confident85.8Confident13 Ų1348.2 Ų48.25%0.05125%0.246CC..THydrogen-bonded Turntrans-85.9-21.9-175.5168.2-96.1000113.8G189 T193 S194 C195 P212 R506 Y507 F510G189-Y191 PolarHBondContact O-N 3Å; Y191-T193 PolarHBondContact O-N 3.44Å; Y191-S194 VanDerWaalsContact O-CB 3.27Å; Y191-S194 WeakPolarHBondContact O-CB 3.32Å; Y191-S194 PolarHBondContact O-N 3.42Å; Y191-S194 PolarHBondContact O-OG 2.93Å; Y191-C195 WeakPolarHBondContact CE1-SG 3.33Å; Y191-C195 WeakPolarHBondContact CE2-SG 3.5Å; Y191-C195 PolarHBondContact OH-SG 3.44Å; Y191-P212 HydrophobicContact CD2-CB 4.34Å; Y191-R506 HydrophobicContact CE2-CB 3.69Å; Y191-R506 HydrophobicContact CE2-CG 3.99Å; Y191-R506 PolarHBondContact OH-O 3.17Å; Y191-Y507 VanDerWaalsContact OH-CA 3.31Å; Y191-Y507 WeakPolarHBondContact OH-CA 3.24Å; Y191-Y507 PolarHBondContact OH-N 3.2Å; Y191-F510 AromaticContact CD1-CD1 3.74Å; Y191-F510 HydrophobicContact CD1-CD1 3.74Å; Y191-F510 AromaticContact CD1-CE1 3.98Å; Y191-F510 HydrophobicContact CD1-CE1 3.98Å; Y191-F510 HydrophobicContact CD1-CG 4.42Å; Y191-F510 HydrophobicContact CD2-CB 4.01Å; Y191-F510 AromaticContact CD2-CD1 3.29Å; Y191-F510 HydrophobicContact CD2-CD1 3.29Å; Y191-F510 AromaticContact CD2-CD2 3.5Å; Y191-F510 HydrophobicContact CD2-CD2 3.5Å; Y191-F510 AromaticContact CD2-CE1 3.4Å; Y191-F510 HydrophobicContact CD2-CE1 3.4Å; Y191-F510 AromaticContact CD2-CE2 3.59Å; Y191-F510 HydrophobicContact CD2-CE2 3.59Å; Y191-F510 AromaticContact CD2-CG 3.34Å; Y191-F510 HydrophobicContact CD2-CG 3.34Å; Y191-F510 AromaticContact CD2-CZ 3.53Å; Y191-F510 HydrophobicContact CD2-CZ 3.53Å; Y191-F510 HydrophobicContact CE1-CB 4.17Å; Y191-F510 AromaticContact CE1-CD1 3.84Å; Y191-F510 HydrophobicContact CE1-CD1 3.84Å; Y191-F510 HydrophobicContact CE1-CG 4.23Å; Y191-F510 HydrophobicContact CE2-CB 3.13Å; Y191-F510 AromaticContact CE2-CD1 3.33Å; Y191-F510 HydrophobicContact CE2-CD1 3.33Å; Y191-F510 AromaticContact CE2-CD2 3.4Å; Y191-F510 HydrophobicContact CE2-CD2 3.4Å; Y191-F510 VanDerWaalsContact CE2-CD2 3.4Å; Y191-F510 AromaticContact CE2-CE1 3.97Å; Y191-F510 HydrophobicContact CE2-CE1 3.97Å; Y191-F510 HydrophobicContact CE2-CE2 4.01Å; Y191-F510 AromaticContact CE2-CG 3Å; Y191-F510 HydrophobicContact CE2-CG 3Å; Y191-F510 HydrophobicContact CE2-CZ 4.26Å; Y191-F510 AromaticContact CG-CD1 3.46Å; Y191-F510 HydrophobicContact CG-CD1 3.46Å; Y191-F510 VanDerWaalsContact CG-CD1 3.46Å; Y191-F510 HydrophobicContact CG-CD2 4.45Å; Y191-F510 AromaticContact CG-CE1 3.37Å; Y191-F510 HydrophobicContact CG-CE1 3.37Å; Y191-F510 HydrophobicContact CG-CE2 4.37Å; Y191-F510 HydrophobicContact CG-CG 4.02Å; Y191-F510 AromaticContact CG-CZ 3.85Å; Y191-F510 HydrophobicContact CG-CZ 3.85Å; Y191-F510 AromaticContact CZ-CD1 3.62Å; Y191-F510 AromaticContact CZ-CG 3.53Å; Y191-F510 VanDerWaalsContact OH-CB 3.3Å; Y191-F510 WeakPolarHBondContact OH-CB 3.26Å
192E79.5Confident83.8Confident157 Ų15753.6 Ų53.673%0.73428%0.275SS*.THydrogen-bonded Turntrans-56-32.7-175.5-66.9166.6177.500112.5
193T81Confident81.8Confident76 Ų7655.6 Ų55.647%0.46629%0.288SS..THydrogen-bonded Turntrans-92.33.717855.70000114.6Y191 K210Y191-T193 PolarHBondContact O-N 3.44Å; T193-K210 PolarHBondContact O-N 3.3Å
194S85.4Confident79.6Confident0 Ų061.6 Ų61.60%033%0.325CS..SBendtrans-98.24.4-172.8-54.30000114.6S190 Y191 K210 P212 A503 R506S190-S194 PolarHBondContact O-OG 2.89Å; Y191-S194 VanDerWaalsContact O-CB 3.27Å; Y191-S194 WeakPolarHBondContact O-CB 3.32Å; Y191-S194 PolarHBondContact O-N 3.42Å; Y191-S194 PolarHBondContact O-OG 2.93Å; S194-K210 WeakPolarHBondContact CA-O 3.23Å; S194-K210 WeakPolarHBondContact CB-O 3.44Å; S194-K210 PolarHBondContact OG-O 3.31Å; S194-P212 WeakPolarHBondContact OG-CA 3.42Å; S194-P212 WeakPolarHBondContact OG-CD 3.4Å; S194-A503 WeakPolarHBondContact O-CA 3.21Å; S194-A503 VanDerWaalsContact O-CB 3.28Å; S194-A503 WeakPolarHBondContact O-CB 3.35Å; S194-R506 PolarHBondContact O-NE 3.24Å; S194-R506 PolarHBondContact O-NH2 3.01Å; S194-R506 VanDerWaalsContact O-NH2 3.15Å
195C87.5Confident77.7Confident26 Ų2668.2 Ų68.218%0.17636%0.356CS..  trans-129.6141.7-159.7-63.40000111.8Y191 Y507Y191-C195 WeakPolarHBondContact CE1-SG 3.33Å; Y191-C195 WeakPolarHBondContact CE2-SG 3.5Å; Y191-C195 PolarHBondContact OH-SG 3.44Å; C195-Y507 HydrophobicContact CB-CD2 4.34Å
196L85Confident76.1Confident9 Ų977.3 Ų77.35%0.04740%0.396CS..  trans-123.1141.1171.7-67.3-178.7000109.1I207 L209 E500 A503 Y504 Y507L196-I207 HydrophobicContact CD2-CB 4.39Å; L196-I207 HydrophobicContact CD2-CD1 3.47Å; L196-I207 VanDerWaalsContact CD2-CD1 3.47Å; L196-I207 HydrophobicContact CD2-CG2 4.06Å; L196-L209 HydrophobicContact CD1-CD1 3.88Å; L196-L209 HydrophobicContact CD1-CD2 4.24Å; L196-L209 HydrophobicContact CD2-CD2 3.8Å; L196-L209 HydrophobicContact CG-CD1 4.26Å; L196-L209 HydrophobicContact CG-CD2 3.71Å; L196-E500 HydrophobicContact CD1-CG 4.05Å; L196-A503 HydrophobicContact CB-CB 4.27Å; L196-A503 HydrophobicContact CD1-CB 4.37Å; L196-A503 HydrophobicContact CG-CB 4.01Å; L196-A503 PolarHBondContact N-O 2.81Å; L196-Y504 HydrophobicContact CB-CD1 3.55Å; L196-Y504 HydrophobicContact CB-CE1 3.35Å; L196-Y504 HydrophobicContact CB-CG 4.33Å; L196-Y504 HydrophobicContact CD1-CE1 4.19Å; L196-Y504 HydrophobicContact CD1-CE2 4.34Å; L196-Y504 HydrophobicContact CG-CE1 4.42Å; L196-Y504 VanDerWaalsContact O-CD1 3.26Å; L196-Y504 WeakPolarHBondContact O-CD1 3.34Å; L196-Y507 WeakPolarHBondContact O-CB 3.36Å
197E85Confident74.8Confident108 Ų10881.1 Ų81.151%0.50542%0.416SS..  trans-77.3125.5172.4179.8165.4-150.400109.7K199 S200 Y504 Y507E197-K199 PolarHBondContact O-N 3Å; E197-S200 PolarHBondContact O-N 2.96Å; E197-Y504 VanDerWaalsContact O-CE1 3.26Å; E197-Y504 WeakPolarHBondContact O-CE1 3.48Å; E197-Y507 HydrophobicContact CB-CE1 4.23Å; E197-Y507 HydrophobicContact CB-CE2 4.19Å; E197-Y507 HydrophobicContact CG-CE1 3.96Å; E197-Y507 PolarHBondContact OE1-OH 3.26Å
198P76.9Confident73.9Confident13 Ų1383.5 Ų83.58%0.08443%0.426CS..THydrogen-bonded Turntrans-55.8-4.5-172.7-29.636.8000118.1S488 L489 Y504 Y507 E508P198-S488 WeakPolarHBondContact CB-O 3.38Å; P198-L489 HydrophobicContact CB-CD2 4.45Å; P198-L489 HydrophobicContact CG-CD2 3.91Å; P198-Y504 HydrophobicContact CB-CD1 4.1Å; P198-Y504 HydrophobicContact CG-CD1 3.98Å; P198-Y507 VanDerWaalsContact CD-CD1 3.43Å; P198-Y507 HydrophobicContact CG-CD1 4.28Å; P198-E508 HydrophobicContact CG-CG 4.14Å
199K73.4Confident73.5Confident150 Ų15080 Ų8065%0.65241%0.413SS*.THydrogen-bonded Turntrans-128.814.9-179.6-63-176.9-178.1172.90113.4E197 E201E197-K199 PolarHBondContact O-N 3Å; K199-E201 PolarHBondContact O-N 3.44Å
200S65.4Low73.4Confident36 Ų3684.4 Ų84.425%0.25243%0.425SS..  trans-67.398.2176.270.20000109.3E197 D202 V203E197-S200 PolarHBondContact O-N 2.96Å; S200-D202 PolarHBondContact O-N 3.24Å; S200-D202 VanDerWaalsContact O-N 3.07Å; S200-V203 WeakPolarHBondContact O-CG2 3.47Å
201E57.8Low73.4Confident193 Ų19388 Ų8890%0.90244%0.439SS*.THydrogen-bonded Turntrans-60.8-14.6175.4-66.517917300112.2K199 V203K199-E201 PolarHBondContact O-N 3.44Å; E201-V203 VanDerWaalsContact C-N 3.33Å; E201-V203 PolarHBondContact O-N 2.91Å
202D55Low73.7Confident114 Ų11487.5 Ų87.561%0.6144%0.437SS*.THydrogen-bonded Turntrans-85.823.7-178.8-95.8-25.3000115.3S200 T204 Q205S200-D202 PolarHBondContact O-N 3.24Å; S200-D202 VanDerWaalsContact O-N 3.07Å; D202-T204 PolarHBondContact O-N 3.41Å; D202-Q205 PolarHBondContact O-N 3.06Å
203V54.3Low74.4Confident63 Ų6384.3 Ų84.338%0.38242%0.424SS..THydrogen-bonded Turntrans-63.71.7172.6-1490000113S200 E201 Q205S200-V203 WeakPolarHBondContact O-CG2 3.47Å; E201-V203 VanDerWaalsContact C-N 3.33Å; E201-V203 PolarHBondContact O-N 2.91Å; V203-Q205 PolarHBondContact O-N 3.29Å
204T51.7Low75Confident127 Ų12781.4 Ų81.478%0.77941%0.406SS*.THydrogen-bonded Turntrans-69.5-20.5171.7650000113.2D202D202-T204 PolarHBondContact O-N 3.41Å
205Q55.6Low75.5Confident140 Ų14084.7 Ų84.765%0.65442%0.419SS*.SBendtrans-85.6128.5169.7-66.9-172.67.400110D202 V203 I207D202-Q205 PolarHBondContact O-N 3.06Å; V203-Q205 PolarHBondContact O-N 3.29Å; Q205-I207 PolarHBondContact O-N 3.29Å
206F61.6Low75.7Confident190 Ų19084.1 Ų84.183%0.83341%0.414SS*.  trans-60.9107174-176.2-88.8000109.6D208F206-D208 HydrophobicContact CE1-CB 4.24Å
207I68.9Low75.5Confident81 Ų8188.3 Ų88.342%0.41544%0.437SS..  trans-92.5114.2173.3-61.8170.4000107.3L196 Q205 L209L196-I207 HydrophobicContact CD2-CB 4.39Å; L196-I207 HydrophobicContact CD2-CD1 3.47Å; L196-I207 VanDerWaalsContact CD2-CD1 3.47Å; L196-I207 HydrophobicContact CD2-CG2 4.06Å; Q205-I207 PolarHBondContact O-N 3.29Å; I207-L209 VanDerWaalsContact C-N 3.26Å; I207-L209 HydrophobicContact CG2-CD2 3.87Å; I207-L209 HydrophobicContact CG2-CG 4.17Å; I207-L209 PolarHBondContact O-N 2.84Å
208D74.7Confident75.4Confident102 Ų10289.3 Ų89.355%0.54544%0.44SS..  trans-7184.3172.5-17833000109.5F206 K210F206-D208 HydrophobicContact CE1-CB 4.24Å; D208-K210 PolarHBondContact O-N 3.04Å; D208-K210 VanDerWaalsContact OD2-CE 3.25Å; D208-K210 WeakPolarHBondContact OD2-CE 3.47Å
209L80.8Confident75.7Confident42 Ų4293.4 Ų93.422%0.2245%0.454CS..  trans-68.3110.1178.6-70172.8000110.3L196 I207 E500 A503L196-L209 HydrophobicContact CD1-CD1 3.88Å; L196-L209 HydrophobicContact CD1-CD2 4.24Å; L196-L209 HydrophobicContact CD2-CD2 3.8Å; L196-L209 HydrophobicContact CG-CD1 4.26Å; L196-L209 HydrophobicContact CG-CD2 3.71Å; I207-L209 VanDerWaalsContact C-N 3.26Å; I207-L209 HydrophobicContact CG2-CD2 3.87Å; I207-L209 HydrophobicContact CG2-CG 4.17Å; I207-L209 PolarHBondContact O-N 2.84Å; L209-E500 HydrophobicContact CD1-CB 4.46Å; L209-A503 HydrophobicContact CD1-CB 4Å; L209-A503 HydrophobicContact CD2-CB 4.07Å
210K86Confident76.1Confident118 Ų11889.6 Ų89.651%0.51344%0.44SS..PPolyproline II helixtrans-93.4133.1175.1-67.1-179-178.7175.40109.8T193 S194 D208T193-K210 PolarHBondContact O-N 3.3Å; S194-K210 WeakPolarHBondContact CA-O 3.23Å; S194-K210 WeakPolarHBondContact CB-O 3.44Å; S194-K210 PolarHBondContact OG-O 3.31Å; D208-K210 PolarHBondContact O-N 3.04Å; D208-K210 VanDerWaalsContact OD2-CE 3.25Å; D208-K210 WeakPolarHBondContact OD2-CE 3.47Å
211K89.7Confident77.1Confident91 Ų9192.1 Ų92.140%0.39645%0.449SS..PPolyproline II helixtrans-63.6143.1174.8-56.4-170-170.8-146.90109.9L301 D303 E499K211-L301 HydrophobicContact CB-CD2 4.48Å; K211-D303 IonicContact NZ-OD2 3.48Å; K211-D303 PolarHBondContact NZ-OD2 2.84Å; K211-E499 WeakPolarHBondContact CE-OE1 3.35Å; K211-E499 IonicContact NZ-OE1 2.77Å; K211-E499 PolarHBondContact NZ-OE1 2.86Å
212P92.5Very high78.7Confident2 Ų288.8 Ų88.81%0.01343%0.429CS..PPolyproline II helixtrans-62.8142.5173.528.2-31.9000108F186 Y191 S194 P214 L301 F510F186-P212 HydrophobicContact CD1-CB 3.79Å; F186-P212 HydrophobicContact CD1-CG 4.2Å; F186-P212 HydrophobicContact CE1-CB 4.03Å; F186-P212 HydrophobicContact CE1-CG 3.9Å; Y191-P212 HydrophobicContact CD2-CB 4.34Å; S194-P212 WeakPolarHBondContact OG-CA 3.42Å; S194-P212 WeakPolarHBondContact OG-CD 3.4Å; P212-P214 WeakPolarHBondContact O-CD 3.45Å; P212-L301 HydrophobicContact CG-CD2 3.88Å; P212-F510 HydrophobicContact CB-CE2 4.29Å; P212-F510 HydrophobicContact CB-CZ 4.27Å; P212-F510 HydrophobicContact CG-CE2 4.19Å
213I93.6Very high80.4Confident90 Ų9088.7 Ų88.746%0.46242%0.421SS..  trans-91.7115-171.1-59.6171.1000108F186 V187 S190F186-I213 CarbonylContact C-O 3.59Å; F186-I213 WeakPolarHBondContact CA-O 3.33Å; V187-I213 HydrophobicContact CB-CB 4.28Å; V187-I213 HydrophobicContact CB-CG2 4.46Å; V187-I213 HydrophobicContact CG2-CB 4.16Å; V187-I213 HydrophobicContact CG2-CG2 3.82Å; V187-I213 PolarHBondContact N-O 2.88Å; S190-I213 PolarHBondContact OG-N 3.34Å
214P94.7Very high82.3Confident14 Ų1490.5 Ų90.59%0.09143%0.432CS..BIsolated β-bridgetrans-58.6145.6174.3-24.236.7000110.9F186 P212 T216 E257 L301F186-P214 HydrophobicContact CE1-CG 4.48Å; P212-P214 WeakPolarHBondContact O-CD 3.45Å; P214-T216 WeakPolarHBondContact CB-O 3.14Å; P214-T216 PolarHBondContact O-N 3.32Å; P214-E257 HydrophobicContact CB-CB 3.81Å; P214-E257 HydrophobicContact CG-CB 3.76Å; P214-L301 HydrophobicContact CG-CD1 3.81Å
215W94.7Very high84.2Confident69 Ų6987.4 Ų87.426%0.26142%0.415SS..SBendtrans-60.8-37.3177.5-174.3-104.7000111.9A185 V187 Y230 G291 M292A185-W215 HydrophobicContact CB-CB 3.88Å; A185-W215 PolarHBondContact O-N 3.5Å; V187-W215 HydrophobicContact CG2-CE3 4.04Å; W215-Y230 HydrophobicContact CB-CE1 4.28Å; W215-Y230 AromaticContact CD1-CE1 3.36Å; W215-Y230 AromaticContact CD1-CZ 3.72Å; W215-Y230 HydrophobicContact CG-CE1 4.1Å; W215-G291 WeakPolarHBondContact CZ3-O 3.19Å; W215-M292 HydrophobicContact CB-CG 4.45Å; W215-M292 HydrophobicContact CB-SD 4.3Å; W215-M292 HydrophobicContact CD2-CG 3.5Å; W215-M292 HydrophobicContact CD2-SD 3.92Å; W215-M292 HydrophobicContact CE3-CG 3.62Å; W215-M292 HydrophobicContact CG-CG 3.89Å; W215-M292 HydrophobicContact CG-SD 3.73Å; W215-M292 HydrophobicContact CH2-CG 4.32Å; W215-M292 HydrophobicContact CZ2-CG 4.23Å; W215-M292 HydrophobicContact CZ3-CG 4.03Å
216T93Very high85.8Confident14 Ų1481.3 Ų81.39%0.08639%0.387CS..SBendtrans-122.2133.7168.156.90000110.9P214 L226 V229 Y230 E257 G258P214-T216 WeakPolarHBondContact CB-O 3.14Å; P214-T216 PolarHBondContact O-N 3.32Å; T216-L226 HydrophobicContact CG2-CD1 3.74Å; T216-L226 HydrophobicContact CG2-CG 4.37Å; T216-V229 HydrophobicContact CG2-CB 4.5Å; T216-V229 HydrophobicContact CG2-CG2 3.26Å; T216-Y230 WeakPolarHBondContact CB-OH 3.4Å; T216-Y230 HydrophobicContact CG2-CE2 3.57Å; T216-Y230 WeakPolarHBondContact CG2-OH 3.44Å; T216-Y230 PolarHBondContact N-OH 3.02Å; T216-Y230 PolarHBondContact OG1-OH 2.89Å; T216-E257 CarbonylContact O-C 3.09Å; T216-G258 PolarHBondContact O-N 2.86Å; T216-G258 VanDerWaalsContact O-N 3.13Å; T216-G258 PolarHBondContact OG1-N 3.4Å
217N80.4Confident87.3Confident97 Ų9774 Ų7452%0.51936%0.357SS..  trans-79.7157.1164.5-58.9-43.7000108.2
218F83.4Confident88.5Confident129 Ų12972.9 Ų72.957%0.56636%0.356SS*.  trans94.5149.9-175-43.2-61.9000115.9L226 E257F218-L226 HydrophobicContact CB-CD2 4.49Å; F218-L226 HydrophobicContact CD2-CD1 4.49Å; F218-E257 WeakPolarHBondContact O-CA 3.42Å
219R82.7Confident89.4Confident99 Ų9971.3 Ų71.337%0.37435%0.35SS..  trans-112.916.3-172.4-68.7-170-162.1-173.8-0.1113M221 D255 E257 D303R219-M221 PolarHBondContact O-N 2.97Å; R219-D255 VanDerWaalsContact CA-O 3.23Å; R219-D255 WeakPolarHBondContact CA-O 3.48Å; R219-D255 WeakPolarHBondContact CB-O 3.38Å; R219-D255 WeakPolarHBondContact CG-O 3.33Å; R219-E257 HydrophobicContact CG-CG 4.23Å; R219-E257 IonicContact CZ-OE1 3.3Å; R219-E257 VanDerWaalsContact CZ-OE1 3.29Å; R219-E257 IonicContact NE-OE1 2.86Å; R219-E257 PolarHBondContact NE-OE1 3.07Å; R219-E257 IonicContact NE-OE2 2.75Å; R219-E257 IonicContact NH2-OE1 3.89Å; R219-E257 PolarHBondContact NH2-OE1 2.84Å; R219-E257 IonicContact NH2-OE2 2.85Å; R219-D303 PolarHBondContact NH1-O 2.76Å; R219-D303 PolarHBondContact NH2-O 3.34Å
220D80.8Confident90.1Very high70 Ų7069.3 Ų69.337%0.37434%0.339SS..  trans-79.885.6-170.6-56.5-36.3000110.1Y222 R223 N253D220-Y222 PolarHBondContact O-N 3.47Å; D220-R223 HydrophobicContact CB-CB 3.67Å; D220-R223 HydrophobicContact CB-CG 4.31Å; D220-R223 WeakPolarHBondContact O-CB 3.45Å; D220-R223 PolarHBondContact O-N 3.2Å; D220-R223 VanDerWaalsContact OD2-CD 3.27Å; D220-R223 WeakPolarHBondContact OD2-CD 3.06Å; D220-R223 IonicContact OD2-CZ 3.17Å; D220-R223 IonicContact OD2-NE 3.63Å; D220-R223 IonicContact OD2-NH1 3.96Å; D220-R223 PolarHBondContact OD2-NH1 3.28Å; D220-N253 PolarHBondContact O-ND2 3.23Å
221M87.2Confident90.6Very high90 Ų9068.5 Ų68.544%0.44334%0.337SS..THydrogen-bonded Turntrans-49130.8175.8-173.1176.676.100111.2R219 R223R219-M221 PolarHBondContact O-N 2.97Å; M221-R223 PolarHBondContact O-N 2.84Å; M221-R223 VanDerWaalsContact O-N 3.15Å
222Y90.6Very high90.8Very high123 Ų12367 Ų6748%0.48233%0.333SS..THydrogen-bonded Turntrans62.312.3178.5-46.3-34.6000117.2D220 T224 N253 E254D220-Y222 PolarHBondContact O-N 3.47Å; Y222-T224 PolarHBondContact O-N 2.89Å; Y222-N253 PolarHBondContact N-ND2 3.36Å; Y222-N253 PolarHBondContact N-O 3.35Å; Y222-N253 VanDerWaalsContact N-O 3.07Å; Y222-E254 PolarHBondContact OH-OE1 3.11Å; Y222-E254 VanDerWaalsContact OH-OE1 3.07Å
223R92.3Very high91Very high112 Ų11267 Ų6742%0.42333%0.333SS..  trans-70.6114.2176.7-178.7178.6168.4-154.5-8.9110.9D220 M221 S225 L226 L227D220-R223 HydrophobicContact CB-CB 3.67Å; D220-R223 HydrophobicContact CB-CG 4.31Å; D220-R223 WeakPolarHBondContact O-CB 3.45Å; D220-R223 PolarHBondContact O-N 3.2Å; D220-R223 VanDerWaalsContact OD2-CD 3.27Å; D220-R223 WeakPolarHBondContact OD2-CD 3.06Å; D220-R223 IonicContact OD2-CZ 3.17Å; D220-R223 IonicContact OD2-NE 3.63Å; D220-R223 IonicContact OD2-NH1 3.96Å; D220-R223 PolarHBondContact OD2-NH1 3.28Å; M221-R223 PolarHBondContact O-N 2.84Å; M221-R223 VanDerWaalsContact O-N 3.15Å; R223-S225 VanDerWaalsContact C-N 3.3Å; R223-S225 VanDerWaalsContact CZ-OG 3.23Å; R223-S225 PolarHBondContact NE-OG 3.08Å; R223-S225 PolarHBondContact NH2-OG 2.87Å; R223-S225 VanDerWaalsContact NH2-OG 3.12Å; R223-S225 PolarHBondContact O-N 3.29Å; R223-S225 VanDerWaalsContact O-N 3.11Å; R223-L226 HydrophobicContact CB-CB 4.33Å; R223-L226 WeakPolarHBondContact O-CA 3.32Å; R223-L226 WeakPolarHBondContact O-CB 3.31Å; R223-L226 PolarHBondContact O-N 3.3Å; R223-L227 PolarHBondContact O-N 3.15Å
224T92.5Very high91.2Very high101 Ų10163.1 Ų63.162%0.6231%0.313SS*.Hα-helixtrans-50.3-41.9-177.9-50.90000114.4Y222 L226 L227 S228Y222-T224 PolarHBondContact O-N 2.89Å; T224-L226 PolarHBondContact O-N 3.4Å; T224-L227 PolarHBondContact O-N 3.24Å; T224-S228 WeakPolarHBondContact O-CB 3.28Å; T224-S228 PolarHBondContact O-N 3.39Å; T224-S228 PolarHBondContact O-OG 2.96Å
225S91.8Very high91.2Very high61 Ų6164.9 Ų64.943%0.42733%0.329SS..Hα-helixtrans-67-24.9179.562.60000113.2R223 S228R223-S225 VanDerWaalsContact C-N 3.3Å; R223-S225 VanDerWaalsContact CZ-OG 3.23Å; R223-S225 PolarHBondContact NE-OG 3.08Å; R223-S225 PolarHBondContact NH2-OG 2.87Å; R223-S225 VanDerWaalsContact NH2-OG 3.12Å; R223-S225 PolarHBondContact O-N 3.29Å; R223-S225 VanDerWaalsContact O-N 3.11Å; S225-S228 PolarHBondContact O-OG 2.92Å; S225-S228 VanDerWaalsContact O-OG 3.06Å
226L90.8Very high91.2Very high13 Ų1363 Ų637%0.06832%0.324CS..Hα-helixtrans-81.5-46.4172.5-159.964.2000110.1T216 F218 R223 T224 S228 V229T216-L226 HydrophobicContact CG2-CD1 3.74Å; T216-L226 HydrophobicContact CG2-CG 4.37Å; F218-L226 HydrophobicContact CB-CD2 4.49Å; F218-L226 HydrophobicContact CD2-CD1 4.49Å; R223-L226 HydrophobicContact CB-CB 4.33Å; R223-L226 WeakPolarHBondContact O-CA 3.32Å; R223-L226 WeakPolarHBondContact O-CB 3.31Å; R223-L226 PolarHBondContact O-N 3.3Å; T224-L226 PolarHBondContact O-N 3.4Å; L226-S228 VanDerWaalsContact C-N 3.27Å; L226-S228 PolarHBondContact O-N 3.35Å; L226-V229 WeakPolarHBondContact O-CG2 3.47Å; L226-V229 PolarHBondContact O-N 3.4Å
227L92.7Very high91.4Very high37 Ų3762.4 Ų62.419%0.19432%0.32CS..Hα-helixtrans-56.3-40.2176.7-174.658.7000112.7R223 T224 V229 Y230 E231 F234R223-L227 PolarHBondContact O-N 3.15Å; T224-L227 PolarHBondContact O-N 3.24Å; L227-V229 PolarHBondContact O-N 3.19Å; L227-Y230 WeakPolarHBondContact O-CA 3.03Å; L227-Y230 WeakPolarHBondContact O-CB 3.39Å; L227-Y230 PolarHBondContact O-N 2.93Å; L227-E231 PolarHBondContact O-N 2.8Å; L227-F234 HydrophobicContact CD1-CD2 4.12Å; L227-F234 HydrophobicContact CD1-CE2 3.63Å
228S94.2Very high92.2Very high56 Ų5660.2 Ų60.239%0.39231%0.309SS..THydrogen-bonded Turntrans-58.3-23.1-175.867.20000114.7T224 S225 L226 Y230T224-S228 WeakPolarHBondContact O-CB 3.28Å; T224-S228 PolarHBondContact O-N 3.39Å; T224-S228 PolarHBondContact O-OG 2.96Å; S225-S228 PolarHBondContact O-OG 2.92Å; S225-S228 VanDerWaalsContact O-OG 3.06Å; L226-S228 VanDerWaalsContact C-N 3.27Å; L226-S228 PolarHBondContact O-N 3.35Å; S228-Y230 PolarHBondContact O-N 3.07Å
229V93.5Very high92.8Very high69 Ų6960 Ų6042%0.41831%0.305SS..THydrogen-bonded Turntrans-76.2-14.9176.5-52.70000112.9T216 L226 L227T216-V229 HydrophobicContact CG2-CB 4.5Å; T216-V229 HydrophobicContact CG2-CG2 3.26Å; L226-V229 WeakPolarHBondContact O-CG2 3.47Å; L226-V229 PolarHBondContact O-N 3.4Å; L227-V229 PolarHBondContact O-N 3.19Å
230Y95.4Very high93.4Very high0 Ų055.2 Ų55.20%029%0.287CS..THydrogen-bonded Turntrans-105.3-8179-60.8-73.1000113A185 W215 T216 L227 S228 N232 Y233 F234 G258 L260 M292A185-Y230 HydrophobicContact CB-CE1 3.99Å; W215-Y230 HydrophobicContact CB-CE1 4.28Å; W215-Y230 AromaticContact CD1-CE1 3.36Å; W215-Y230 AromaticContact CD1-CZ 3.72Å; W215-Y230 HydrophobicContact CG-CE1 4.1Å; T216-Y230 WeakPolarHBondContact CB-OH 3.4Å; T216-Y230 HydrophobicContact CG2-CE2 3.57Å; T216-Y230 WeakPolarHBondContact CG2-OH 3.44Å; T216-Y230 PolarHBondContact N-OH 3.02Å; T216-Y230 PolarHBondContact OG1-OH 2.89Å; L227-Y230 WeakPolarHBondContact O-CA 3.03Å; L227-Y230 WeakPolarHBondContact O-CB 3.39Å; L227-Y230 PolarHBondContact O-N 2.93Å; S228-Y230 PolarHBondContact O-N 3.07Å; Y230-N232 PolarHBondContact O-N 2.74Å; Y230-Y233 HydrophobicContact CD1-CD1 4.46Å; Y230-Y233 CarbonylContact O-C 3.45Å; Y230-Y233 WeakPolarHBondContact O-CA 3.3Å; Y230-Y233 WeakPolarHBondContact O-CB 3.36Å; Y230-Y233 PolarHBondContact O-N 3.5Å; Y230-F234 VanDerWaalsContact CB-CE2 3.5Å; Y230-F234 HydrophobicContact CG-CE2 4.33Å; Y230-F234 WeakPolarHBondContact O-CD2 3.38Å; Y230-F234 PolarHBondContact O-N 2.97Å; Y230-G258 WeakPolarHBondContact OH-CA 3.33Å; Y230-L260 HydrophobicContact CD1-CD1 3.79Å; Y230-L260 HydrophobicContact CD1-CD2 3.98Å; Y230-L260 HydrophobicContact CD2-CD2 3.61Å; Y230-L260 HydrophobicContact CE1-CD1 3.83Å; Y230-L260 HydrophobicContact CE1-CD2 3.98Å; Y230-L260 HydrophobicContact CE1-CG 4.38Å; Y230-L260 HydrophobicContact CE2-CD2 3.63Å; Y230-L260 HydrophobicContact CG-CD1 4.33Å; Y230-L260 HydrophobicContact CG-CD2 3.79Å; Y230-M292 HydrophobicContact CD1-SD 4.11Å; Y230-M292 HydrophobicContact CE1-SD 3.91Å
231E95.4Very high94.1Very high101 Ų10151.9 Ų51.947%0.47227%0.269SS..Hα-helixtrans-58.1-42.3-171.6-79.9173179.600113.5L227 Y233 F234 A235L227-E231 PolarHBondContact O-N 2.8Å; E231-Y233 VanDerWaalsContact C-N 3.35Å; E231-F234 PolarHBondContact O-N 2.84Å; E231-A235 VanDerWaalsContact O-CB 3.31Å; E231-A235 WeakPolarHBondContact O-CB 3.49Å; E231-A235 PolarHBondContact O-N 3.24Å
232N95.2Very high94.6Very high59 Ų5952.6 Ų52.632%0.31627%0.271SS..Hα-helixtrans-65.4-39.8175.3-75.5-29.4000111.9Y230 A235 D236Y230-N232 PolarHBondContact O-N 2.74Å; N232-A235 PolarHBondContact O-N 3.26Å; N232-D236 VanDerWaalsContact O-CG 3.22Å; N232-D236 PolarHBondContact O-N 3.35Å; N232-D236 VanDerWaalsContact O-OD2 3.13Å
233Y95.8Very high94.7Very high3 Ų349.9 Ų49.91%0.01226%0.264CS..Hα-helixtrans-62.9-43.9176164.8-114.7000111.6F183 Y230 E231 D236 I237 L260 V283 I286 H290 M292F183-Y233 HydrophobicContact CE2-CE1 4.24Å; Y230-Y233 HydrophobicContact CD1-CD1 4.46Å; Y230-Y233 CarbonylContact O-C 3.45Å; Y230-Y233 WeakPolarHBondContact O-CA 3.3Å; Y230-Y233 WeakPolarHBondContact O-CB 3.36Å; Y230-Y233 PolarHBondContact O-N 3.5Å; E231-Y233 VanDerWaalsContact C-N 3.35Å; Y233-D236 PolarHBondContact O-N 3.46Å; Y233-I237 HydrophobicContact CD1-CD1 4Å; Y233-I237 HydrophobicContact CD2-CD1 4.1Å; Y233-I237 HydrophobicContact CD2-CG1 4.47Å; Y233-I237 HydrophobicContact CE1-CD1 3.5Å; Y233-I237 HydrophobicContact CE2-CD1 3.57Å; Y233-I237 HydrophobicContact CE2-CG1 4.09Å; Y233-I237 HydrophobicContact CG-CD1 4.3Å; Y233-I237 WeakPolarHBondContact O-CG1 3.3Å; Y233-I237 PolarHBondContact O-N 2.89Å; Y233-L260 HydrophobicContact CD1-CD1 4.41Å; Y233-L260 HydrophobicContact CE1-CD1 3.91Å; Y233-V283 WeakPolarHBondContact OH-CB 3.37Å; Y233-V283 PolarHBondContact OH-O 3.29Å; Y233-V283 VanDerWaalsContact OH-O 3.08Å; Y233-I286 HydrophobicContact CD2-CG2 3.8Å; Y233-I286 HydrophobicContact CE2-CB 4.21Å; Y233-I286 HydrophobicContact CE2-CG2 3.91Å; Y233-H290 AromaticContact CD2-CD2 3.98Å; Y233-M292 HydrophobicContact CD1-CE 3.77Å; Y233-M292 HydrophobicContact CD2-CE 3.61Å; Y233-M292 HydrophobicContact CE1-CE 4.2Å; Y233-M292 HydrophobicContact CE2-CE 4.09Å; Y233-M292 HydrophobicContact CG-CE 3.42Å; Y233-M292 VanDerWaalsContact CG-CE 3.42Å
234F97.3Very high94.8Very high9 Ų945.4 Ų45.44%0.03925%0.252CS..Hα-helixtrans-68.3-39.5176.2-70-42.8000113L227 Y230 E231 D236 I237 D238 Y251 L260L227-F234 HydrophobicContact CD1-CD2 4.12Å; L227-F234 HydrophobicContact CD1-CE2 3.63Å; Y230-F234 VanDerWaalsContact CB-CE2 3.5Å; Y230-F234 HydrophobicContact CG-CE2 4.33Å; Y230-F234 WeakPolarHBondContact O-CD2 3.38Å; Y230-F234 PolarHBondContact O-N 2.97Å; E231-F234 PolarHBondContact O-N 2.84Å; F234-D236 VanDerWaalsContact C-N 3.25Å; F234-D236 PolarHBondContact O-N 2.84Å; F234-I237 HydrophobicContact CD1-CD1 4.02Å; F234-I237 PolarHBondContact O-N 2.96Å; F234-D238 WeakPolarHBondContact O-CB 3.31Å; F234-D238 PolarHBondContact O-N 2.82Å; F234-Y251 HydrophobicContact CB-CD1 3.87Å; F234-Y251 HydrophobicContact CB-CD2 4.42Å; F234-Y251 HydrophobicContact CB-CE1 4.48Å; F234-Y251 HydrophobicContact CB-CG 3.83Å; F234-Y251 AromaticContact CD1-CD1 3.4Å; F234-Y251 HydrophobicContact CD1-CD1 3.4Å; F234-Y251 HydrophobicContact CD1-CE1 4.26Å; F234-Y251 AromaticContact CD1-CG 3.95Å; F234-Y251 HydrophobicContact CD1-CG 3.95Å; F234-Y251 HydrophobicContact CD2-CG 4.41Å; F234-Y251 AromaticContact CE1-CD1 3.99Å; F234-Y251 HydrophobicContact CE1-CD1 3.99Å; F234-Y251 AromaticContact CG-CD1 3.76Å; F234-Y251 HydrophobicContact CG-CD1 3.76Å; F234-Y251 AromaticContact CG-CG 3.85Å; F234-Y251 HydrophobicContact CG-CG 3.85Å; F234-L260 HydrophobicContact CE1-CB 4.4Å; F234-L260 HydrophobicContact CE1-CD1 4.25Å; F234-L260 HydrophobicContact CE2-CD2 4.29Å; F234-L260 HydrophobicContact CZ-CB 4.01Å; F234-L260 HydrophobicContact CZ-CD1 4.02Å; F234-L260 HydrophobicContact CZ-CD2 3.75Å; F234-L260 HydrophobicContact CZ-CG 4.12Å
235A96Very high94.9Very high51 Ų5143.5 Ų43.542%0.42125%0.252SS..Hα-helixtrans-60.1-38.3173.900000111.7E231 N232 Y239E231-A235 VanDerWaalsContact O-CB 3.31Å; E231-A235 WeakPolarHBondContact O-CB 3.49Å; E231-A235 PolarHBondContact O-N 3.24Å; N232-A235 PolarHBondContact O-N 3.26Å; A235-Y239 WeakPolarHBondContact O-CB 3.23Å; A235-Y239 PolarHBondContact O-N 3.25Å
236D95.1Very high95.2Very high30 Ų3040.7 Ų40.716%0.1623%0.232CC..Hα-helixtrans-70.6-37.1175.7-69.2-38.2000112.5Y116 N232 Y233 F234 N240 I286 H290Y116-D236 HydrophobicContact CD1-CB 4.49Å; Y116-D236 WeakPolarHBondContact CD1-OD2 3.35Å; Y116-D236 HydrophobicContact CE1-CB 3.78Å; Y116-D236 WeakPolarHBondContact CE1-OD1 3.35Å; Y116-D236 WeakPolarHBondContact CE1-OD2 3.12Å; N232-D236 VanDerWaalsContact O-CG 3.22Å; N232-D236 PolarHBondContact O-N 3.35Å; N232-D236 VanDerWaalsContact O-OD2 3.13Å; Y233-D236 PolarHBondContact O-N 3.46Å; F234-D236 VanDerWaalsContact C-N 3.25Å; F234-D236 PolarHBondContact O-N 2.84Å; D236-N240 WeakPolarHBondContact O-CB 3.36Å; D236-N240 PolarHBondContact O-N 2.95Å; D236-N240 PolarHBondContact O-ND2 3.43Å; D236-I286 HydrophobicContact CB-CG2 3.94Å; D236-H290 IonicContact OD2-CD2 2.87Å; D236-H290 IonicContact OD2-CE1 3.89Å; D236-H290 PolarHBondContact OD2-CE1 3.4Å; D236-H290 IonicContact OD2-NE2 3.73Å; D236-H290 PolarHBondContact OD2-NE2 3.13Å
237I96.9Very high95.4Very high0 Ų044.6 Ų44.60%025%0.253CS..Hα-helixtrans-60.5-54.5170.6-70.4163.7000109.8Y233 F234 Y239 N240 M241 I248 Y251 L279 V283 I286Y233-I237 HydrophobicContact CD1-CD1 4Å; Y233-I237 HydrophobicContact CD2-CD1 4.1Å; Y233-I237 HydrophobicContact CD2-CG1 4.47Å; Y233-I237 HydrophobicContact CE1-CD1 3.5Å; Y233-I237 HydrophobicContact CE2-CD1 3.57Å; Y233-I237 HydrophobicContact CE2-CG1 4.09Å; Y233-I237 HydrophobicContact CG-CD1 4.3Å; Y233-I237 WeakPolarHBondContact O-CG1 3.3Å; Y233-I237 PolarHBondContact O-N 2.89Å; F234-I237 HydrophobicContact CD1-CD1 4.02Å; F234-I237 PolarHBondContact O-N 2.96Å; I237-Y239 PolarHBondContact O-N 3.39Å; I237-N240 PolarHBondContact O-N 3.17Å; I237-N240 VanDerWaalsContact O-N 3.17Å; I237-M241 HydrophobicContact CG2-CG 3.86Å; I237-M241 WeakPolarHBondContact O-CB 3.26Å; I237-M241 VanDerWaalsContact O-CG 3.24Å; I237-M241 WeakPolarHBondContact O-CG 3.11Å; I237-M241 PolarHBondContact O-N 2.96Å; I237-I248 HydrophobicContact CG2-CD1 3.62Å; I237-Y251 HydrophobicContact CB-CE1 4.34Å; I237-Y251 HydrophobicContact CG2-CE1 3.92Å; I237-L279 HydrophobicContact CG2-CD1 4.15Å; I237-V283 HydrophobicContact CD1-CB 4.27Å; I237-V283 HydrophobicContact CD1-CG1 3.77Å; I237-V283 HydrophobicContact CG1-CG1 4.19Å; I237-V283 HydrophobicContact CG2-CG1 4.38Å; I237-I286 HydrophobicContact CG1-CD1 3.96Å; I237-I286 HydrophobicContact CG1-CG2 4.35Å
238D97.3Very high95.7Very high52 Ų5243.6 Ų43.628%0.27825%0.248SC..Hα-helixtrans-53.5-54.2-177.9-176.949.7000111.7F234 N240 M241 Q242 Y251F234-D238 WeakPolarHBondContact O-CB 3.31Å; F234-D238 PolarHBondContact O-N 2.82Å; D238-N240 VanDerWaalsContact C-N 3.3Å; D238-N240 PolarHBondContact O-N 2.7Å; D238-M241 PolarHBondContact O-N 3.29Å; D238-Q242 WeakPolarHBondContact O-CB 3.27Å; D238-Q242 WeakPolarHBondContact O-CG 3.38Å; D238-Q242 PolarHBondContact O-N 3.19Å; D238-Q242 PolarHBondContact OD1-NE2 3.41Å; D238-Q242 PolarHBondContact OD2-NE2 3.16Å; D238-Y251 WeakPolarHBondContact CA-OH 3.42Å; D238-Y251 HydrophobicContact CB-CE2 3.97Å; D238-Y251 WeakPolarHBondContact CB-OH 3.21Å; D238-Y251 PolarHBondContact N-OH 3.41Å; D238-Y251 PolarHBondContact OD1-OH 3.46Å
239Y95.3Very high95.8Very high123 Ų12346.4 Ų46.448%0.48226%0.255SS..Hα-helixtrans-55.7-44.6178.8177.1-99.9000112.4A235 I237 L243A235-Y239 WeakPolarHBondContact O-CB 3.23Å; A235-Y239 PolarHBondContact O-N 3.25Å; I237-Y239 PolarHBondContact O-N 3.39Å; Y239-L243 HydrophobicContact CD1-CD1 4.05Å; Y239-L243 HydrophobicContact CE1-CD1 3.48Å; Y239-L243 VanDerWaalsContact CE1-CD1 3.48Å; Y239-L243 HydrophobicContact CE2-CD1 4.44Å; Y239-L243 WeakPolarHBondContact O-CG 3.19Å; Y239-L243 PolarHBondContact O-N 3.13Å
240N95.1Very high95.9Very high0 Ų046.2 Ų46.20%025%0.252CS..Hα-helixtrans-77.2-33.5-176.5-80.1-78000113.3H109 W110 D236 I237 D238 L243 A244 I286H109-N240 WeakPolarHBondContact CB-OD1 3.07Å; W110-N240 HydrophobicContact CB-CB 4.48Å; W110-N240 HydrophobicContact CD2-CB 4.4Å; W110-N240 HydrophobicContact CE3-CB 3.59Å; W110-N240 HydrophobicContact CZ3-CB 4.17Å; W110-N240 PolarHBondContact N-OD1 3.32Å; D236-N240 WeakPolarHBondContact O-CB 3.36Å; D236-N240 PolarHBondContact O-N 2.95Å; D236-N240 PolarHBondContact O-ND2 3.43Å; I237-N240 PolarHBondContact O-N 3.17Å; I237-N240 VanDerWaalsContact O-N 3.17Å; D238-N240 VanDerWaalsContact C-N 3.3Å; D238-N240 PolarHBondContact O-N 2.7Å; N240-L243 PolarHBondContact O-N 2.99Å; N240-A244 PolarHBondContact O-N 3.23Å; N240-A244 VanDerWaalsContact O-N 3.15Å; N240-I286 HydrophobicContact CB-CD1 4.22Å
241M96.7Very high95.9Very high0 Ų048.6 Ų48.60%026%0.261CS..Hα-helixtrans-71.9-39.6176.7-66.2-61.391.800111.3W110 I237 D238 L243 A244 G245 I246 I248 L279 A282W110-M241 HydrophobicContact CE3-CE 4.34Å; W110-M241 HydrophobicContact CH2-CE 3.8Å; W110-M241 HydrophobicContact CZ3-CE 3.68Å; I237-M241 HydrophobicContact CG2-CG 3.86Å; I237-M241 WeakPolarHBondContact O-CB 3.26Å; I237-M241 VanDerWaalsContact O-CG 3.24Å; I237-M241 WeakPolarHBondContact O-CG 3.11Å; I237-M241 PolarHBondContact O-N 2.96Å; D238-M241 PolarHBondContact O-N 3.29Å; M241-L243 VanDerWaalsContact C-N 3.3Å; M241-L243 PolarHBondContact O-N 3.26Å; M241-A244 CarbonylContact O-C 3.55Å; M241-A244 WeakPolarHBondContact O-CA 3.34Å; M241-A244 WeakPolarHBondContact O-CB 3.45Å; M241-A244 PolarHBondContact O-N 2.86Å; M241-G245 PolarHBondContact O-N 2.75Å; M241-I246 CarbonylContact C-O 3.59Å; M241-I246 HydrophobicContact CB-CB 4.19Å; M241-I246 HydrophobicContact CB-CG2 4.5Å; M241-I246 WeakPolarHBondContact CB-O 3.47Å; M241-I246 PolarHBondContact O-N 3.21Å; M241-I246 VanDerWaalsContact O-O 3.13Å; M241-I246 HydrophobicContact SD-CD1 4.32Å; M241-I248 HydrophobicContact CB-CD1 4.16Å; M241-I248 HydrophobicContact CG-CD1 3.9Å; M241-L279 HydrophobicContact CG-CD1 3.96Å; M241-L279 HydrophobicContact SD-CD1 3.86Å; M241-A282 HydrophobicContact CE-CB 3.29Å; M241-A282 HydrophobicContact SD-CB 3.93Å
242Q95.8Very high95.9Very high104 Ų10444.1 Ų44.149%0.48624%0.241SC..Hα-helixtrans-59.1-41.5171.8-74.7-17845.700112D238 A244 G245 I246D238-Q242 WeakPolarHBondContact O-CB 3.27Å; D238-Q242 WeakPolarHBondContact O-CG 3.38Å; D238-Q242 PolarHBondContact O-N 3.19Å; D238-Q242 PolarHBondContact OD1-NE2 3.41Å; D238-Q242 PolarHBondContact OD2-NE2 3.16Å; Q242-A244 PolarHBondContact O-N 2.9Å; Q242-G245 PolarHBondContact O-N 3.39Å; Q242-I246 PolarHBondContact N-O 3.06Å
243L93.5Very high95.9Very high66 Ų6641.4 Ų41.435%0.34623%0.226SC..Hα-helixtrans-63.5-29173.7-71.9175.5000113.1P107 H109 Y239 N240 M241 G245P107-L243 WeakPolarHBondContact CD-O 3.31Å; P107-L243 HydrophobicContact CG-CB 4.06Å; P107-L243 VanDerWaalsContact CG-O 3.23Å; P107-L243 WeakPolarHBondContact CG-O 3.18Å; H109-L243 HydrophobicContact CB-CD1 4.26Å; H109-L243 VanDerWaalsContact ND1-CD1 3.28Å; H109-L243 WeakPolarHBondContact ND1-CD1 3.45Å; Y239-L243 HydrophobicContact CD1-CD1 4.05Å; Y239-L243 HydrophobicContact CE1-CD1 3.48Å; Y239-L243 VanDerWaalsContact CE1-CD1 3.48Å; Y239-L243 HydrophobicContact CE2-CD1 4.44Å; Y239-L243 WeakPolarHBondContact O-CG 3.19Å; Y239-L243 PolarHBondContact O-N 3.13Å; N240-L243 PolarHBondContact O-N 2.99Å; M241-L243 VanDerWaalsContact C-N 3.3Å; M241-L243 PolarHBondContact O-N 3.26Å; L243-G245 VanDerWaalsContact C-N 3.28Å
244A93.9Very high95.7Very high19 Ų1942.1 Ų42.116%0.15723%0.23CC..THydrogen-bonded Turntrans-83-1173.600000113.5H106 N240 M241 Q242 I246H106-A244 HydrophobicContact CB-CB 3.87Å; N240-A244 PolarHBondContact O-N 3.23Å; N240-A244 VanDerWaalsContact O-N 3.15Å; M241-A244 CarbonylContact O-C 3.55Å; M241-A244 WeakPolarHBondContact O-CA 3.34Å; M241-A244 WeakPolarHBondContact O-CB 3.45Å; M241-A244 PolarHBondContact O-N 2.86Å; Q242-A244 PolarHBondContact O-N 2.9Å; A244-I246 HydrophobicContact CB-CD1 4.31Å; A244-I246 HydrophobicContact CB-CG1 4.42Å
245G95.6Very high95.4Very high61 Ų6145.2 Ų45.263%0.62925%0.247SC*.THydrogen-bonded Turntrans7623.9-176.900000114M241 Q242 L243M241-G245 PolarHBondContact O-N 2.75Å; Q242-G245 PolarHBondContact O-N 3.39Å; L243-G245 VanDerWaalsContact C-N 3.28Å
246I97.7Very high95.2Very high2 Ų242.9 Ų42.91%0.0123%0.227CC..  trans-115.6119.9-178.1-58.5173.3000109M241 Q242 A244 L264 N275 I278M241-I246 CarbonylContact C-O 3.59Å; M241-I246 HydrophobicContact CB-CB 4.19Å; M241-I246 HydrophobicContact CB-CG2 4.5Å; M241-I246 WeakPolarHBondContact CB-O 3.47Å; M241-I246 PolarHBondContact O-N 3.21Å; M241-I246 VanDerWaalsContact O-O 3.13Å; M241-I246 HydrophobicContact SD-CD1 4.32Å; Q242-I246 PolarHBondContact N-O 3.06Å; A244-I246 HydrophobicContact CB-CD1 4.31Å; A244-I246 HydrophobicContact CB-CG1 4.42Å; I246-L264 HydrophobicContact CG2-CD2 3.49Å; I246-L264 VanDerWaalsContact CG2-CD2 3.49Å; I246-N275 HydrophobicContact CD1-CB 4.37Å; I246-N275 HydrophobicContact CG1-CB 4.33Å; I246-N275 HydrophobicContact CG2-CB 4.05Å; I246-I278 HydrophobicContact CD1-CB 3.71Å; I246-I278 HydrophobicContact CD1-CD1 4.01Å; I246-I278 HydrophobicContact CD1-CG1 4.48Å; I246-I278 HydrophobicContact CD1-CG2 3.52Å
247D95.8Very high95.2Very high94 Ų9443 Ų4350%0.50323%0.227SC..  trans-98.5137.3176.6-67.1-31.2000111.4I265D247-I265 HydrophobicContact CB-CB 4.05Å; D247-I265 HydrophobicContact CB-CG1 3.83Å; D247-I265 PolarHBondContact O-N 2.94Å
248I97.5Very high95Very high16 Ų1643.1 Ų43.18%0.08223%0.228CC..BIsolated β-bridgetrans-113.8138.5174.7-62.5163.8000107.3I237 M241 D250 Y251 C262 P263 L264 L279I237-I248 HydrophobicContact CG2-CD1 3.62Å; M241-I248 HydrophobicContact CB-CD1 4.16Å; M241-I248 HydrophobicContact CG-CD1 3.9Å; I248-D250 VanDerWaalsContact CG2-O 3.28Å; I248-D250 WeakPolarHBondContact CG2-O 3.35Å; I248-Y251 HydrophobicContact CB-CE1 4.23Å; I248-Y251 WeakPolarHBondContact CB-OH 3Å; I248-Y251 HydrophobicContact CD1-CE1 3.82Å; I248-Y251 VanDerWaalsContact CD1-OH 3.3Å; I248-Y251 WeakPolarHBondContact CD1-OH 3.13Å; I248-Y251 HydrophobicContact CG2-CD1 4.29Å; I248-Y251 HydrophobicContact CG2-CE1 3.72Å; I248-Y251 HydrophobicContact CG2-CE2 4.31Å; I248-C262 HydrophobicContact CG2-CB 4.07Å; I248-P263 WeakPolarHBondContact CG2-O 3.38Å; I248-L264 HydrophobicContact CG1-CD2 3.99Å; I248-L279 HydrophobicContact CD1-CD1 3.67Å
249Q96.7Very high95Very high116 Ų11640.8 Ų40.854%0.54222%0.215SC..  trans-73.2-48.9-173.1-174.4-173.2-61.700112.2P263 I265Q249-P263 HydrophobicContact CB-CG 4.25Å; Q249-P263 WeakPolarHBondContact CB-O 3.32Å; Q249-P263 PolarHBondContact N-O 2.77Å; Q249-I265 HydrophobicContact CB-CD1 3.65Å; Q249-I265 HydrophobicContact CB-CG1 4.34Å; Q249-I265 HydrophobicContact CG-CD1 3.95Å
250D95.7Very high95.1Very high65 Ų6534.9 Ų34.935%0.34819%0.192SC..  trans-158.2174.4-179.153.461.6000110.3I248 P263I248-D250 VanDerWaalsContact CG2-O 3.28Å; I248-D250 WeakPolarHBondContact CG2-O 3.35Å; D250-P263 WeakPolarHBondContact O-CD 3.45Å; D250-P263 WeakPolarHBondContact OD1-CG 3.46Å
251Y96.2Very high95.2Very high49 Ų4935.8 Ų35.819%0.19220%0.197CC..  trans-134.5128.5-179.4-57.8-86.6000108.8F234 I237 D238 I248 C262F234-Y251 HydrophobicContact CB-CD1 3.87Å; F234-Y251 HydrophobicContact CB-CD2 4.42Å; F234-Y251 HydrophobicContact CB-CE1 4.48Å; F234-Y251 HydrophobicContact CB-CG 3.83Å; F234-Y251 AromaticContact CD1-CD1 3.4Å; F234-Y251 HydrophobicContact CD1-CD1 3.4Å; F234-Y251 HydrophobicContact CD1-CE1 4.26Å; F234-Y251 AromaticContact CD1-CG 3.95Å; F234-Y251 HydrophobicContact CD1-CG 3.95Å; F234-Y251 HydrophobicContact CD2-CG 4.41Å; F234-Y251 AromaticContact CE1-CD1 3.99Å; F234-Y251 HydrophobicContact CE1-CD1 3.99Å; F234-Y251 AromaticContact CG-CD1 3.76Å; F234-Y251 HydrophobicContact CG-CD1 3.76Å; F234-Y251 AromaticContact CG-CG 3.85Å; F234-Y251 HydrophobicContact CG-CG 3.85Å; I237-Y251 HydrophobicContact CB-CE1 4.34Å; I237-Y251 HydrophobicContact CG2-CE1 3.92Å; D238-Y251 WeakPolarHBondContact CA-OH 3.42Å; D238-Y251 HydrophobicContact CB-CE2 3.97Å; D238-Y251 WeakPolarHBondContact CB-OH 3.21Å; D238-Y251 PolarHBondContact N-OH 3.41Å; D238-Y251 PolarHBondContact OD1-OH 3.46Å; I248-Y251 HydrophobicContact CB-CE1 4.23Å; I248-Y251 WeakPolarHBondContact CB-OH 3Å; I248-Y251 HydrophobicContact CD1-CE1 3.82Å; I248-Y251 VanDerWaalsContact CD1-OH 3.3Å; I248-Y251 WeakPolarHBondContact CD1-OH 3.13Å; I248-Y251 HydrophobicContact CG2-CD1 4.29Å; I248-Y251 HydrophobicContact CG2-CE1 3.72Å; I248-Y251 HydrophobicContact CG2-CE2 4.31Å; Y251-C262 VanDerWaalsContact CD1-SG 3.6Å
252S95.7Very high95.2Very high8 Ų835.8 Ų35.86%0.05620%0.197CC..EExtended strand (participates in β ladder)trans-142.5156.2-172.876.40000112.1L260 E261S252-L260 VanDerWaalsContact O-CA 3.29Å; S252-L260 WeakPolarHBondContact O-CA 3.36Å; S252-E261 PolarHBondContact N-O 3.34Å; S252-E261 PolarHBondContact O-N 3.4Å; S252-E261 WeakPolarHBondContact OG-CB 3.43Å
253N93.9Very high95.3Very high2 Ų231.1 Ų31.11%0.01118%0.175CC..EExtended strand (participates in β ladder)trans-94.5138.3160.275.6-89000108.7D220 Y222 Q259 L260D220-N253 PolarHBondContact O-ND2 3.23Å; Y222-N253 PolarHBondContact N-ND2 3.36Å; Y222-N253 PolarHBondContact N-O 3.35Å; Y222-N253 VanDerWaalsContact N-O 3.07Å; N253-Q259 WeakPolarHBondContact CA-O 3.36Å; N253-L260 HydrophobicContact CB-CD2 4.24Å
254E93Very high95.5Very high18 Ų1828.3 Ų28.38%0.08416%0.16CC..  trans-104.9-174.9-172.6-93.3-59.8149.100112.5Y222 G256 Q259 E261Y222-E254 PolarHBondContact OH-OE1 3.11Å; Y222-E254 VanDerWaalsContact OH-OE1 3.07Å; E254-G256 VanDerWaalsContact C-N 3.26Å; E254-G256 PolarHBondContact O-N 3.01Å; E254-Q259 HydrophobicContact CB-CB 3.96Å; E254-Q259 HydrophobicContact CB-CG 3.69Å; E254-Q259 PolarHBondContact N-O 2.58Å; E254-E261 HydrophobicContact CG-CB 4Å
255D91.2Very high95.7Very high73 Ų7330.4 Ų30.439%0.3917%0.168SC..SBendtrans-65.3-20.5-175.4-173.160.3000114.5R219 S305R219-D255 VanDerWaalsContact CA-O 3.23Å; R219-D255 WeakPolarHBondContact CA-O 3.48Å; R219-D255 WeakPolarHBondContact CB-O 3.38Å; R219-D255 WeakPolarHBondContact CG-O 3.33Å; D255-S305 WeakPolarHBondContact OD2-CB 3.48Å; D255-S305 PolarHBondContact OD2-OG 3.42Å
256G91.7Very high95.8Very high2 Ų229.5 Ų29.52%0.02115%0.151CC..SBendtrans-91.7152.6178.500000114.7E254 G258 Q259E254-G256 VanDerWaalsContact C-N 3.26Å; E254-G256 PolarHBondContact O-N 3.01Å; G256-G258 PolarHBondContact O-N 2.98Å; G256-G258 VanDerWaalsContact O-N 3.14Å; G256-Q259 WeakPolarHBondContact O-CB 3.43Å; G256-Q259 PolarHBondContact O-N 2.89Å
257E93.3Very high95.9Very high34 Ų3431.1 Ų31.116%0.15916%0.161CC..THydrogen-bonded Turntrans-59.5120.1174-59.591.1167.900111.6R184 P214 T216 F218 R219 Q259 S304R184-E257 PolarHBondContact NH1-O 3.43Å; R184-E257 IonicContact NH1-OE2 3.13Å; P214-E257 HydrophobicContact CB-CB 3.81Å; P214-E257 HydrophobicContact CG-CB 3.76Å; T216-E257 CarbonylContact O-C 3.09Å; F218-E257 WeakPolarHBondContact O-CA 3.42Å; R219-E257 HydrophobicContact CG-CG 4.23Å; R219-E257 IonicContact CZ-OE1 3.3Å; R219-E257 VanDerWaalsContact CZ-OE1 3.29Å; R219-E257 IonicContact NE-OE1 2.86Å; R219-E257 PolarHBondContact NE-OE1 3.07Å; R219-E257 IonicContact NE-OE2 2.75Å; R219-E257 IonicContact NH2-OE1 3.89Å; R219-E257 PolarHBondContact NH2-OE1 2.84Å; R219-E257 IonicContact NH2-OE2 2.85Å; E257-Q259 PolarHBondContact O-N 2.89Å; E257-S304 WeakPolarHBondContact OE2-CB 3.47Å; E257-S304 PolarHBondContact OE2-OG 2.81Å
258G94.6Very high96Very high1 Ų130.9 Ų30.91%0.0115%0.153CC..THydrogen-bonded Turntrans67.712.6-176.400000114R184 A185 T216 Y230 G256R184-G258 CarbonylContact C-O 3.39Å; R184-G258 WeakPolarHBondContact CA-O 3.36Å; A185-G258 PolarHBondContact N-O 2.89Å; T216-G258 PolarHBondContact O-N 2.86Å; T216-G258 VanDerWaalsContact O-N 3.13Å; T216-G258 PolarHBondContact OG1-N 3.4Å; Y230-G258 WeakPolarHBondContact OH-CA 3.33Å; G256-G258 PolarHBondContact O-N 2.98Å; G256-G258 VanDerWaalsContact O-N 3.14Å
259Q96.1Very high96Very high3 Ų330.5 Ų30.51%0.01415%0.154CC..EExtended strand (participates in β ladder)trans-79.8136.1176.4-165.2170.1-5.200110.1E182 F183 N253 E254 G256 E257 S306 S307E182-Q259 PolarHBondContact OE2-NE2 3.43Å; F183-Q259 CarbonylContact O-C 3.58Å; F183-Q259 WeakPolarHBondContact O-CA 3.31Å; N253-Q259 WeakPolarHBondContact CA-O 3.36Å; E254-Q259 HydrophobicContact CB-CB 3.96Å; E254-Q259 HydrophobicContact CB-CG 3.69Å; E254-Q259 PolarHBondContact N-O 2.58Å; G256-Q259 WeakPolarHBondContact O-CB 3.43Å; G256-Q259 PolarHBondContact O-N 2.89Å; E257-Q259 PolarHBondContact O-N 2.89Å; Q259-S306 PolarHBondContact NE2-O 2.86Å; Q259-S307 PolarHBondContact NE2-OG 3.45Å
260L96.7Very high96Very high0 Ų026.1 Ų26.10%013%0.134CC..EExtended strand (participates in β ladder)trans-134154.6-175.9-56.1174.6000109.2E182 F183 A185 Y230 Y233 F234 S252 N253E182-L260 CarbonylContact C-O 3.51Å; E182-L260 VanDerWaalsContact CA-O 3.25Å; E182-L260 WeakPolarHBondContact CA-O 3.5Å; F183-L260 HydrophobicContact CD2-CB 4.15Å; F183-L260 HydrophobicContact CD2-CD1 4.4Å; F183-L260 HydrophobicContact CE1-CB 4.4Å; F183-L260 HydrophobicContact CE2-CB 3.72Å; F183-L260 HydrophobicContact CE2-CD1 3.7Å; F183-L260 HydrophobicContact CE2-CG 4.29Å; F183-L260 HydrophobicContact CZ-CB 3.86Å; F183-L260 HydrophobicContact CZ-CD1 4.34Å; F183-L260 PolarHBondContact N-O 2.81Å; F183-L260 PolarHBondContact O-N 2.71Å; A185-L260 HydrophobicContact CB-CD1 4.12Å; Y230-L260 HydrophobicContact CD1-CD1 3.79Å; Y230-L260 HydrophobicContact CD1-CD2 3.98Å; Y230-L260 HydrophobicContact CD2-CD2 3.61Å; Y230-L260 HydrophobicContact CE1-CD1 3.83Å; Y230-L260 HydrophobicContact CE1-CD2 3.98Å; Y230-L260 HydrophobicContact CE1-CG 4.38Å; Y230-L260 HydrophobicContact CE2-CD2 3.63Å; Y230-L260 HydrophobicContact CG-CD1 4.33Å; Y230-L260 HydrophobicContact CG-CD2 3.79Å; Y233-L260 HydrophobicContact CD1-CD1 4.41Å; Y233-L260 HydrophobicContact CE1-CD1 3.91Å; F234-L260 HydrophobicContact CE1-CB 4.4Å; F234-L260 HydrophobicContact CE1-CD1 4.25Å; F234-L260 HydrophobicContact CE2-CD2 4.29Å; F234-L260 HydrophobicContact CZ-CB 4.01Å; F234-L260 HydrophobicContact CZ-CD1 4.02Å; F234-L260 HydrophobicContact CZ-CD2 3.75Å; F234-L260 HydrophobicContact CZ-CG 4.12Å; S252-L260 VanDerWaalsContact O-CA 3.29Å; S252-L260 WeakPolarHBondContact O-CA 3.36Å; N253-L260 HydrophobicContact CB-CD2 4.24Å
261E97.4Very high96.2Very high19 Ų1925.5 Ų25.59%0.08914%0.135CC..EExtended strand (participates in β ladder)trans-129.4143.3174.3-157.2-168171.300110.4E182 S252 E254E182-E261 HydrophobicContact CG-CB 4.44Å; E182-E261 HydrophobicContact CG-CG 3.97Å; S252-E261 PolarHBondContact N-O 3.34Å; S252-E261 PolarHBondContact O-N 3.4Å; S252-E261 WeakPolarHBondContact OG-CB 3.43Å; E254-E261 HydrophobicContact CG-CB 4Å
262C97.6Very high96.3Very high0 Ų023.3 Ų23.30%013%0.127CC..  trans-136.474.7173.3-66.20000109.8P181 F183 I248 Y251 L264 L279P181-C262 WeakPolarHBondContact CD-O 3.04Å; P181-C262 PolarHBondContact O-N 2.72Å; F183-C262 HydrophobicContact CE1-CB 4.09Å; I248-C262 HydrophobicContact CG2-CB 4.07Å; Y251-C262 VanDerWaalsContact CD1-SG 3.6Å; C262-L264 PolarHBondContact O-N 2.82Å; C262-L279 HydrophobicContact CB-CD2 4.17Å
263P98Very high96.4Very high6 Ų623 Ų234%0.03912%0.124CC..PPolyproline II helixtrans-63.1124-178.725.3-34000111.9E180 I248 Q249 D250E180-P263 HydrophobicContact CB-CB 4.35Å; E180-P263 HydrophobicContact CG-CB 3.93Å; I248-P263 WeakPolarHBondContact CG2-O 3.38Å; Q249-P263 HydrophobicContact CB-CG 4.25Å; Q249-P263 WeakPolarHBondContact CB-O 3.32Å; Q249-P263 PolarHBondContact N-O 2.77Å; D250-P263 WeakPolarHBondContact O-CD 3.45Å; D250-P263 WeakPolarHBondContact OD1-CG 3.46Å
264L98.5Very high96.6Very high6 Ų623.2 Ų23.23%0.03113%0.126CC..BIsolated β-bridgetrans-76.3147.8179.7-74.9162.1000111.5A178 F179 I246 I248 C262 N275 Y276 L279A178-L264 HydrophobicContact CB-CB 4.44Å; A178-L264 WeakPolarHBondContact CB-O 3.5Å; F179-L264 HydrophobicContact CB-CD1 4.46Å; F179-L264 PolarHBondContact O-N 2.97Å; I246-L264 HydrophobicContact CG2-CD2 3.49Å; I246-L264 VanDerWaalsContact CG2-CD2 3.49Å; I248-L264 HydrophobicContact CG1-CD2 3.99Å; C262-L264 PolarHBondContact O-N 2.82Å; L264-N275 HydrophobicContact CD1-CB 4.31Å; L264-N275 HydrophobicContact CD2-CB 4.44Å; L264-Y276 HydrophobicContact CD1-CG 4.44Å; L264-L279 HydrophobicContact CD1-CD2 4.12Å; L264-L279 HydrophobicContact CD2-CD2 3.98Å; L264-L279 HydrophobicContact CG-CD2 3.95Å
265I97.8Very high96.9Very high63 Ų6323.5 Ų23.532%0.32313%0.128SC..PPolyproline II helixtrans-70.4135169.8-65.5-68.7000109.6D247 Q249 T267D247-I265 HydrophobicContact CB-CB 4.05Å; D247-I265 HydrophobicContact CB-CG1 3.83Å; D247-I265 PolarHBondContact O-N 2.94Å; Q249-I265 HydrophobicContact CB-CD1 3.65Å; Q249-I265 HydrophobicContact CB-CG1 4.34Å; Q249-I265 HydrophobicContact CG-CD1 3.95Å; I265-T267 PolarHBondContact O-N 2.86Å
266P98.1Very high97.2Very high42 Ų4220.2 Ų20.227%0.27311%0.11SC..PPolyproline II helixtrans-58.5136.8176.9-25.833.9000113.6Y176 S177 A178Y176-P266 HydrophobicContact CD1-CB 3.95Å; Y176-P266 HydrophobicContact CD2-CB 4.46Å; Y176-P266 HydrophobicContact CE1-CB 3.51Å; Y176-P266 HydrophobicContact CE1-CG 4.41Å; Y176-P266 VanDerWaalsContact CE2-C 3.42Å; Y176-P266 HydrophobicContact CE2-CB 4.05Å; Y176-P266 WeakPolarHBondContact CE2-O 3.23Å; Y176-P266 HydrophobicContact CG-CB 4.4Å; Y176-P266 PolarHBondContact OH-O 3.4Å; S177-P266 CarbonylContact O-C 3.59Å; S177-P266 VanDerWaalsContact O-CA 3.25Å; S177-P266 WeakPolarHBondContact O-CA 3.34Å; A178-P266 HydrophobicContact CB-CB 4.11Å; A178-P266 HydrophobicContact CB-CG 3.74Å
267T97.9Very high97.5Very high36 Ų3620.5 Ų20.522%0.22111%0.111CC..EExtended strand (participates in β ladder)trans-134.9173.2177.3-168.70000111Y176 S177 I265 S271 A272Y176-T267 WeakPolarHBondContact CA-O 3.36Å; Y176-T267 VanDerWaalsContact CD2-C 3.5Å; Y176-T267 WeakPolarHBondContact CD2-O 3.47Å; S177-T267 PolarHBondContact N-O 3.33Å; S177-T267 PolarHBondContact O-N 2.8Å; I265-T267 PolarHBondContact O-N 2.86Å; T267-S271 VanDerWaalsContact CG2-C 3.49Å; T267-A272 VanDerWaalsContact CG2-CA 3.46Å; T267-A272 HydrophobicContact CG2-CB 3.86Å
268W97.7Very high97.7Very high89 Ų8919.4 Ų19.434%0.33711%0.106SC..EExtended strand (participates in β ladder)trans-86.7139.2-173.4-63.499000112.5R174 L175 Y176 L270 S271 W316R174-W268 HydrophobicContact CB-CE3 4.1Å; R174-W268 HydrophobicContact CB-CZ3 4.04Å; L175-W268 WeakPolarHBondContact O-CA 3.31Å; Y176-W268 AromaticContact CD2-CD2 3.66Å; Y176-W268 HydrophobicContact CD2-CD2 3.66Å; Y176-W268 AromaticContact CD2-CE2 3.63Å; Y176-W268 AromaticContact CD2-CE3 3.99Å; Y176-W268 HydrophobicContact CD2-CE3 3.99Å; Y176-W268 HydrophobicContact CD2-CG 4.06Å; Y176-W268 HydrophobicContact CD2-CH2 4.25Å; Y176-W268 AromaticContact CD2-CZ2 3.95Å; Y176-W268 HydrophobicContact CD2-CZ2 3.95Å; Y176-W268 HydrophobicContact CD2-CZ3 4.28Å; Y176-W268 AromaticContact CD2-NE1 3.98Å; Y176-W268 HydrophobicContact CE2-CD2 4.39Å; Y176-W268 HydrophobicContact CE2-CZ2 4.38Å; Y176-W268 AromaticContact CE2-NE1 3.96Å; Y176-W268 HydrophobicContact CG-CD2 4.43Å; Y176-W268 HydrophobicContact CG-CE3 4.34Å; Y176-W268 HydrophobicContact CG-CH2 4.25Å; Y176-W268 HydrophobicContact CG-CZ2 4.33Å; Y176-W268 HydrophobicContact CG-CZ3 4.26Å; W268-L270 PolarHBondContact O-N 3.4Å; W268-S271 PolarHBondContact O-N 2.84Å; W268-W316 HydrophobicContact CH2-CB 4.01Å; W268-W316 AromaticContact CH2-CD1 3.91Å; W268-W316 AromaticContact CH2-CD2 3.99Å; W268-W316 HydrophobicContact CH2-CD2 3.99Å; W268-W316 AromaticContact CH2-CG 3.7Å; W268-W316 HydrophobicContact CH2-CG 3.7Å; W268-W316 HydrophobicContact CZ3-CB 3.89Å; W268-W316 AromaticContact CZ3-CD1 3.86Å; W268-W316 AromaticContact CZ3-CG 3.85Å; W268-W316 HydrophobicContact CZ3-CG 3.85Å
269G97.8Very high97.9Very high9 Ų919.4 Ų19.49%0.09311%0.105CC..THydrogen-bonded Turntrans59.8-134167.300000113.7L175 S271L175-G269 PolarHBondContact O-N 3.41Å; G269-S271 VanDerWaalsContact C-N 3.28Å; G269-S271 PolarHBondContact O-N 3.21Å
270L98.2Very high97.9Very high24 Ų2420.1 Ų20.113%0.12611%0.108CC..THydrogen-bonded Turntrans-69.9-27.2-172.7-171.667.9000112.5R157 A160 Q161 I164 W268 A272 A273 D274 Y410R157-L270 HydrophobicContact CG-CD1 4.38Å; R157-L270 HydrophobicContact CG-CD2 3.93Å; A160-L270 HydrophobicContact CB-CD1 3.62Å; Q161-L270 HydrophobicContact CG-CD1 4.39Å; Q161-L270 HydrophobicContact CG-CD2 3.52Å; I164-L270 HydrophobicContact CD1-CB 3.72Å; I164-L270 HydrophobicContact CD1-CD1 3.98Å; I164-L270 HydrophobicContact CD1-CG 4.48Å; W268-L270 PolarHBondContact O-N 3.4Å; L270-A272 PolarHBondContact O-N 3.06Å; L270-A273 PolarHBondContact O-N 2.96Å; L270-D274 PolarHBondContact O-N 3.29Å; L270-D274 VanDerWaalsContact O-N 3.1Å; L270-Y410 HydrophobicContact CD1-CD1 3.96Å; L270-Y410 HydrophobicContact CD1-CE1 4.21Å
271S98.3Very high97.8Very high52 Ų5222.2 Ų22.236%0.36412%0.118SC..Hα-helixtrans-57.7-26.3-176.1-57.50000112.6T267 W268 G269 A273 D274 N275T267-S271 VanDerWaalsContact CG2-C 3.49Å; W268-S271 PolarHBondContact O-N 2.84Å; G269-S271 VanDerWaalsContact C-N 3.28Å; G269-S271 PolarHBondContact O-N 3.21Å; S271-A273 VanDerWaalsContact C-N 3.33Å; S271-A273 PolarHBondContact O-N 2.84Å; S271-D274 PolarHBondContact O-N 3.21Å; S271-N275 VanDerWaalsContact O-CB 3.22Å; S271-N275 WeakPolarHBondContact O-CB 3.5Å; S271-N275 PolarHBondContact O-N 3.32Å; S271-N275 PolarHBondContact O-OD1 3Å; S271-N275 VanDerWaalsContact O-OD1 3.09Å
272A98.5Very high97.8Very high3 Ų321.3 Ų21.33%0.02511%0.114CC..Hα-helixtrans-63.2-40.8175.100000112S177 F179 T267 L270 Y276S177-A272 VanDerWaalsContact O-CB 3.23Å; S177-A272 WeakPolarHBondContact O-CB 3.33Å; S177-A272 VanDerWaalsContact OG-CB 3.31Å; S177-A272 WeakPolarHBondContact OG-CB 3.33Å; F179-A272 WeakPolarHBondContact CD2-O 3.47Å; T267-A272 VanDerWaalsContact CG2-CA 3.46Å; T267-A272 HydrophobicContact CG2-CB 3.86Å; L270-A272 PolarHBondContact O-N 3.06Å; A272-Y276 PolarHBondContact O-N 3.08Å
273A98.6Very high97.7Very high0 Ų021.3 Ų21.30%011%0.114CC..Hα-helixtrans-75.6-38.3176.500000112F179 L270 S271 Y276 F277 S409 Y410 L413F179-A273 HydrophobicContact CE2-CB 4.36Å; L270-A273 PolarHBondContact O-N 2.96Å; S271-A273 VanDerWaalsContact C-N 3.33Å; S271-A273 PolarHBondContact O-N 2.84Å; A273-Y276 PolarHBondContact O-N 2.89Å; A273-F277 WeakPolarHBondContact O-CB 3.38Å; A273-F277 PolarHBondContact O-N 2.96Å; A273-S409 PolarHBondContact O-OG 3.3Å; A273-Y410 HydrophobicContact CB-CD1 3.64Å; A273-Y410 HydrophobicContact CB-CE1 3.84Å; A273-Y410 HydrophobicContact CB-CG 4.21Å; A273-L413 HydrophobicContact CB-CD1 4.02Å
274D98.5Very high97.6Very high8 Ų822.8 Ų22.84%0.04312%0.12CC..Hα-helixtrans-59.8-47.2174-67.8-25.1000110.4L141 R157 L270 S271 Y276 F277 I278 Y410L141-D274 HydrophobicContact CD1-CB 3.64Å; L141-D274 VanDerWaalsContact CD1-CG 3.43Å; L141-D274 VanDerWaalsContact CD1-OD1 3.24Å; L141-D274 WeakPolarHBondContact CD1-OD1 3.37Å; R157-D274 IonicContact CZ-OD1 3.11Å; R157-D274 IonicContact CZ-OD2 3.16Å; R157-D274 IonicContact NE-OD1 3.88Å; R157-D274 PolarHBondContact NE-OD1 3.18Å; R157-D274 IonicContact NE-OD2 2.69Å; R157-D274 IonicContact NH2-OD1 2.85Å; R157-D274 IonicContact NH2-OD2 2.97Å; R157-D274 PolarHBondContact NH2-OD2 3.43Å; R157-D274 VanDerWaalsContact NH2-OD2 3.11Å; L270-D274 PolarHBondContact O-N 3.29Å; L270-D274 VanDerWaalsContact O-N 3.1Å; S271-D274 PolarHBondContact O-N 3.21Å; D274-Y276 PolarHBondContact O-N 3.49Å; D274-F277 WeakPolarHBondContact O-CB 3.34Å; D274-F277 PolarHBondContact O-N 2.75Å; D274-I278 WeakPolarHBondContact O-CG1 3.43Å; D274-I278 PolarHBondContact O-N 3.11Å; D274-Y410 WeakPolarHBondContact OD1-CE1 3.43Å; D274-Y410 PolarHBondContact OD1-OH 3.1Å
275N98.3Very high97.5Very high24 Ų2424.2 Ų24.213%0.12813%0.127CC..Hα-helixtrans-59.5-46.6179.8-74.27.1000112I246 L264 S271 I278 L279I246-N275 HydrophobicContact CD1-CB 4.37Å; I246-N275 HydrophobicContact CG1-CB 4.33Å; I246-N275 HydrophobicContact CG2-CB 4.05Å; L264-N275 HydrophobicContact CD1-CB 4.31Å; L264-N275 HydrophobicContact CD2-CB 4.44Å; S271-N275 VanDerWaalsContact O-CB 3.22Å; S271-N275 WeakPolarHBondContact O-CB 3.5Å; S271-N275 PolarHBondContact O-N 3.32Å; S271-N275 PolarHBondContact O-OD1 3Å; S271-N275 VanDerWaalsContact O-OD1 3.09Å; N275-I278 PolarHBondContact O-N 3.35Å; N275-L279 VanDerWaalsContact O-CB 3.32Å; N275-L279 WeakPolarHBondContact O-CB 3.07Å; N275-L279 PolarHBondContact O-N 3.05Å
276Y98.2Very high97.3Very high3 Ų321.2 Ų21.21%0.01211%0.111CC..Hα-helixtrans-65.7-40.2177.4179.1-148.4000111.9F179 P181 L264 A272 A273 D274 I278 L279 K280 F296 C309 S405F179-Y276 HydrophobicContact CB-CD1 3.8Å; F179-Y276 HydrophobicContact CB-CG 3.89Å; F179-Y276 AromaticContact CD1-CD1 3.66Å; F179-Y276 HydrophobicContact CD1-CD1 3.66Å; F179-Y276 HydrophobicContact CD1-CE1 4.16Å; F179-Y276 HydrophobicContact CD2-CD1 4.05Å; F179-Y276 HydrophobicContact CD2-CG 4.28Å; F179-Y276 HydrophobicContact CE1-CD1 4.22Å; F179-Y276 AromaticContact CG-CD1 3.56Å; F179-Y276 HydrophobicContact CG-CD1 3.56Å; F179-Y276 HydrophobicContact CG-CE1 4.4Å; F179-Y276 AromaticContact CG-CG 3.99Å; F179-Y276 HydrophobicContact CG-CG 3.99Å; P181-Y276 HydrophobicContact CB-CD2 4.07Å; P181-Y276 HydrophobicContact CB-CE2 3.36Å; P181-Y276 HydrophobicContact CG-CD2 3.95Å; P181-Y276 HydrophobicContact CG-CE2 3.74Å; L264-Y276 HydrophobicContact CD1-CG 4.44Å; A272-Y276 PolarHBondContact O-N 3.08Å; A273-Y276 PolarHBondContact O-N 2.89Å; D274-Y276 PolarHBondContact O-N 3.49Å; Y276-I278 VanDerWaalsContact C-N 3.34Å; Y276-I278 PolarHBondContact O-N 3.23Å; Y276-L279 PolarHBondContact O-N 2.84Å; Y276-K280 HydrophobicContact CE2-CB 4.24Å; Y276-K280 HydrophobicContact CE2-CD 4.5Å; Y276-K280 WeakPolarHBondContact O-CB 3.13Å; Y276-K280 PolarHBondContact O-N 3.08Å; Y276-F296 HydrophobicContact CE2-CE1 4.08Å; Y276-C309 VanDerWaalsContact CE1-SG 3.55Å; Y276-S405 PolarHBondContact OH-O 2.83Å
277F97.9Very high97.2Very high9 Ų919.2 Ų19.24%0.03910%0.098CC..Hα-helixtrans-61.3-42.3177.1-180-106.3000112.3L42 P43 H49 L141 A273 D274 Y410L42-F277 VanDerWaalsContact C-CZ 3.46Å; P43-F277 HydrophobicContact CB-CD2 4.23Å; P43-F277 HydrophobicContact CB-CE2 3.69Å; P43-F277 HydrophobicContact CB-CZ 4.04Å; P43-F277 VanDerWaalsContact N-CZ 3.3Å; H49-F277 HydrophobicContact CB-CE2 4.01Å; H49-F277 HydrophobicContact CB-CZ 3.87Å; H49-F277 AromaticContact CD2-CD1 3.76Å; H49-F277 AromaticContact CD2-CE1 3.13Å; H49-F277 WeakPolarHBondContact CD2-CE1 3.49Å; H49-F277 AromaticContact CD2-CE2 3.65Å; H49-F277 AromaticContact CD2-CZ 3.07Å; H49-F277 WeakPolarHBondContact CD2-CZ 3.43Å; H49-F277 AromaticContact CG-CE1 3.9Å; H49-F277 AromaticContact CG-CZ 3.43Å; H49-F277 VanDerWaalsContact CG-CZ 3.43Å; H49-F277 AromaticContact NE2-CD1 3.97Å; H49-F277 AromaticContact NE2-CE1 3.31Å; H49-F277 VanDerWaalsContact NE2-CE1 3.31Å; H49-F277 WeakPolarHBondContact NE2-CE1 3.22Å; H49-F277 AromaticContact NE2-CZ 3.71Å; L141-F277 HydrophobicContact CD2-CD1 3.67Å; L141-F277 HydrophobicContact CD2-CE1 3.62Å; A273-F277 WeakPolarHBondContact O-CB 3.38Å; A273-F277 PolarHBondContact O-N 2.96Å; D274-F277 WeakPolarHBondContact O-CB 3.34Å; D274-F277 PolarHBondContact O-N 2.75Å; F277-Y410 HydrophobicContact CB-CE2 3.92Å; F277-Y410 HydrophobicContact CD1-CE2 4.46Å; F277-Y410 HydrophobicContact CD2-CE2 4.07Å; F277-Y410 AromaticContact CG-CE2 3.9Å; F277-Y410 HydrophobicContact CG-CE2 3.9Å
278I97.6Very high96.9Very high10 Ų1020 Ų205%0.05111%0.105CC..Hα-helixtrans-66.9-46.9175.6-66.4163.4000110.8L141 I246 D274 N275 Y276 K280 Q281 A282L141-I278 HydrophobicContact CD1-CD1 4.44Å; I246-I278 HydrophobicContact CD1-CB 3.71Å; I246-I278 HydrophobicContact CD1-CD1 4.01Å; I246-I278 HydrophobicContact CD1-CG1 4.48Å; I246-I278 HydrophobicContact CD1-CG2 3.52Å; D274-I278 WeakPolarHBondContact O-CG1 3.43Å; D274-I278 PolarHBondContact O-N 3.11Å; N275-I278 PolarHBondContact O-N 3.35Å; Y276-I278 VanDerWaalsContact C-N 3.34Å; Y276-I278 PolarHBondContact O-N 3.23Å; I278-K280 VanDerWaalsContact C-N 3.33Å; I278-K280 PolarHBondContact O-N 2.91Å; I278-Q281 PolarHBondContact O-N 2.97Å; I278-A282 PolarHBondContact O-N 2.91Å
279L97.5Very high96.6Very high1 Ų118.5 Ų18.51%0.00510%0.101CC..Hα-helixtrans-56.3-47.7178.6179.664.9000111.3P181 I237 M241 I248 C262 L264 N275 Y276 Q281 A282 V283P181-L279 HydrophobicContact CG-CD2 4.02Å; I237-L279 HydrophobicContact CG2-CD1 4.15Å; M241-L279 HydrophobicContact CG-CD1 3.96Å; M241-L279 HydrophobicContact SD-CD1 3.86Å; I248-L279 HydrophobicContact CD1-CD1 3.67Å; C262-L279 HydrophobicContact CB-CD2 4.17Å; L264-L279 HydrophobicContact CD1-CD2 4.12Å; L264-L279 HydrophobicContact CD2-CD2 3.98Å; L264-L279 HydrophobicContact CG-CD2 3.95Å; N275-L279 VanDerWaalsContact O-CB 3.32Å; N275-L279 WeakPolarHBondContact O-CB 3.07Å; N275-L279 PolarHBondContact O-N 3.05Å; Y276-L279 PolarHBondContact O-N 2.84Å; L279-Q281 PolarHBondContact O-N 2.87Å; L279-A282 PolarHBondContact O-N 2.89Å; L279-V283 HydrophobicContact CD1-CG1 3.63Å; L279-V283 HydrophobicContact CG-CG1 4.04Å; L279-V283 WeakPolarHBondContact O-CG1 3.22Å; L279-V283 WeakPolarHBondContact O-CG2 3.26Å; L279-V283 PolarHBondContact O-N 3.15Å
280K96.8Very high96.3Very high18 Ų1818.4 Ų18.48%0.07810%0.098CC..Hα-helixtrans-55.7-38.9-178.6-172.9167.3-177.5172.90112.2Y276 I278 K284 F296 S405 M513Y276-K280 HydrophobicContact CE2-CB 4.24Å; Y276-K280 HydrophobicContact CE2-CD 4.5Å; Y276-K280 WeakPolarHBondContact O-CB 3.13Å; Y276-K280 PolarHBondContact O-N 3.08Å; I278-K280 VanDerWaalsContact C-N 3.33Å; I278-K280 PolarHBondContact O-N 2.91Å; K280-K284 WeakPolarHBondContact O-CG 3.36Å; K280-F296 HydrophobicContact CB-CE1 4.4Å; K280-F296 HydrophobicContact CB-CE2 4.42Å; K280-F296 HydrophobicContact CB-CZ 4.09Å; K280-F296 HydrophobicContact CD-CD1 4.21Å; K280-F296 HydrophobicContact CD-CD2 4.39Å; K280-F296 HydrophobicContact CD-CE1 4.41Å; K280-F296 HydrophobicContact CD-CG 4.22Å; K280-F296 HydrophobicContact CG-CD1 4.16Å; K280-F296 HydrophobicContact CG-CD2 3.87Å; K280-F296 HydrophobicContact CG-CE1 3.96Å; K280-F296 HydrophobicContact CG-CE2 3.64Å; K280-F296 HydrophobicContact CG-CG 4.14Å; K280-F296 HydrophobicContact CG-CZ 3.69Å; K280-S405 PolarHBondContact NZ-O 3.06Å; K280-M513 WeakPolarHBondContact CE-O 3.04Å
281Q95.4Very high96Very high44 Ų4418 Ų1821%0.20610%0.099CC..Hα-helixtrans-73.1-46174.8-173.564.323.900111.9I278 L279 V283 K284 E285I278-Q281 PolarHBondContact O-N 2.97Å; L279-Q281 PolarHBondContact O-N 2.87Å; Q281-V283 PolarHBondContact O-N 3.22Å; Q281-K284 PolarHBondContact O-N 3.22Å; Q281-E285 HydrophobicContact CG-CG 4.47Å; Q281-E285 PolarHBondContact NE2-OE1 3.17Å; Q281-E285 WeakPolarHBondContact O-CG 3Å; Q281-E285 PolarHBondContact O-N 3.38Å
282A96.1Very high95.9Very high0 Ų015.7 Ų15.70%08%0.083CC..Hα-helixtrans-62.6-44.7-175.600000112.3W110 M241 I278 L279 K284 E285 I286W110-A282 HydrophobicContact CH2-CB 4.23Å; W110-A282 HydrophobicContact CZ2-CB 3.88Å; M241-A282 HydrophobicContact CE-CB 3.29Å; M241-A282 HydrophobicContact SD-CB 3.93Å; I278-A282 PolarHBondContact O-N 2.91Å; L279-A282 PolarHBondContact O-N 2.89Å; A282-K284 VanDerWaalsContact C-N 3.28Å; A282-K284 PolarHBondContact O-N 3.13Å; A282-E285 PolarHBondContact O-N 3.01Å; A282-I286 HydrophobicContact CB-CD1 4.44Å; A282-I286 WeakPolarHBondContact O-CB 3.24Å; A282-I286 VanDerWaalsContact O-CG1 3.23Å; A282-I286 WeakPolarHBondContact O-CG1 3.48Å; A282-I286 PolarHBondContact O-N 3.39Å
283V96.8Very high95.7Very high0 Ų017.3 Ų17.30%09%0.09CC..Hα-helixtrans-62.1-36.7179.4-590000111.8F183 Y233 I237 L279 Q281 G287 I294 F296F183-V283 HydrophobicContact CZ-CB 4.46Å; F183-V283 HydrophobicContact CZ-CG1 4.36Å; Y233-V283 WeakPolarHBondContact OH-CB 3.37Å; Y233-V283 PolarHBondContact OH-O 3.29Å; Y233-V283 VanDerWaalsContact OH-O 3.08Å; I237-V283 HydrophobicContact CD1-CB 4.27Å; I237-V283 HydrophobicContact CD1-CG1 3.77Å; I237-V283 HydrophobicContact CG1-CG1 4.19Å; I237-V283 HydrophobicContact CG2-CG1 4.38Å; L279-V283 HydrophobicContact CD1-CG1 3.63Å; L279-V283 HydrophobicContact CG-CG1 4.04Å; L279-V283 WeakPolarHBondContact O-CG1 3.22Å; L279-V283 WeakPolarHBondContact O-CG2 3.26Å; L279-V283 PolarHBondContact O-N 3.15Å; Q281-V283 PolarHBondContact O-N 3.22Å; V283-G287 WeakPolarHBondContact O-CA 3.41Å; V283-G287 PolarHBondContact O-N 2.85Å; V283-I294 HydrophobicContact CG2-CG2 4.24Å; V283-F296 HydrophobicContact CG2-CE2 3.54Å; V283-F296 HydrophobicContact CG2-CZ 3.37Å
284K95.9Very high95.6Very high38 Ų3817.8 Ų17.817%0.1659%0.092CC..Hα-helixtrans-65.4-47.8174.7-70-177.9175.4-166.50111.9K280 Q281 A282 G287 S288 I294 F296 N511 F512 M513K280-K284 WeakPolarHBondContact O-CG 3.36Å; Q281-K284 PolarHBondContact O-N 3.22Å; A282-K284 VanDerWaalsContact C-N 3.28Å; A282-K284 PolarHBondContact O-N 3.13Å; K284-G287 PolarHBondContact O-N 2.75Å; K284-S288 PolarHBondContact O-N 3.38Å; K284-I294 HydrophobicContact CG-CB 4.05Å; K284-I294 HydrophobicContact CG-CG2 4.25Å; K284-F296 HydrophobicContact CG-CE2 4.25Å; K284-N511 PolarHBondContact NZ-O 3.33Å; K284-F512 PolarHBondContact NZ-O 2.95Å; K284-F512 VanDerWaalsContact NZ-O 3.08Å; K284-M513 WeakPolarHBondContact CE-O 3.07Å; K284-M513 PolarHBondContact NZ-O 3.48Å; K284-M513 PolarHBondContact NZ-OXT 3.03Å
285E94.7Very high95.5Very high36 Ų3617.4 Ų17.417%0.1689%0.09CC..Hα-helixtrans-67.1-43-177.8-71.1-177.2178.400112.2R39 W110 I111 Q281 A282R39-E285 IonicContact CZ-OE1 2.98Å; R39-E285 VanDerWaalsContact CZ-OE1 3.24Å; R39-E285 IonicContact NH1-OE1 2.68Å; R39-E285 PolarHBondContact NH1-OE1 3.35Å; R39-E285 IonicContact NH1-OE2 3Å; R39-E285 IonicContact NH2-OE1 2.77Å; R39-E285 PolarHBondContact NH2-OE1 3.27Å; R39-E285 IonicContact NH2-OE2 3.4Å; W110-E285 PolarHBondContact NE1-OE2 3.27Å; I111-E285 WeakPolarHBondContact CG1-OE2 3.37Å; Q281-E285 HydrophobicContact CG-CG 4.47Å; Q281-E285 PolarHBondContact NE2-OE1 3.17Å; Q281-E285 WeakPolarHBondContact O-CG 3Å; Q281-E285 PolarHBondContact O-N 3.38Å; A282-E285 PolarHBondContact O-N 3.01Å
286I95.2Very high95.4Very high0 Ų016.3 Ų16.30%08%0.084CC..Hα-helixtrans-66.2-44.6174.9-63.7167.6000109.5W110 Y233 D236 I237 N240 A282 S288 K289 H290W110-I286 HydrophobicContact CB-CD1 4.1Å; W110-I286 HydrophobicContact CB-CG1 3.64Å; W110-I286 HydrophobicContact CG-CD1 4.2Å; W110-I286 HydrophobicContact CG-CG1 3.8Å; Y233-I286 HydrophobicContact CD2-CG2 3.8Å; Y233-I286 HydrophobicContact CE2-CB 4.21Å; Y233-I286 HydrophobicContact CE2-CG2 3.91Å; D236-I286 HydrophobicContact CB-CG2 3.94Å; I237-I286 HydrophobicContact CG1-CD1 3.96Å; I237-I286 HydrophobicContact CG1-CG2 4.35Å; N240-I286 HydrophobicContact CB-CD1 4.22Å; A282-I286 HydrophobicContact CB-CD1 4.44Å; A282-I286 WeakPolarHBondContact O-CB 3.24Å; A282-I286 VanDerWaalsContact O-CG1 3.23Å; A282-I286 WeakPolarHBondContact O-CG1 3.48Å; A282-I286 PolarHBondContact O-N 3.39Å; I286-S288 VanDerWaalsContact C-N 3.3Å; I286-S288 PolarHBondContact O-N 3.17Å; I286-K289 WeakPolarHBondContact O-CA 3.29Å; I286-K289 WeakPolarHBondContact O-CB 3.25Å; I286-K289 PolarHBondContact O-N 3.12Å; I286-H290 PolarHBondContact O-CD2 2.87Å; I286-H290 PolarHBondContact O-N 2.85Å
287G94.9Very high95.3Very high0 Ų016.2 Ų16.20%08%0.084CC..Hα-helixtrans-57.5-41.7179.600000112.5V283 K284 K289 H290 G291 M292V283-G287 WeakPolarHBondContact O-CA 3.41Å; V283-G287 PolarHBondContact O-N 2.85Å; K284-G287 PolarHBondContact O-N 2.75Å; G287-K289 PolarHBondContact O-N 2.9Å; G287-H290 CarbonylContact O-C 3.41Å; G287-H290 WeakPolarHBondContact O-CA 3.3Å; G287-H290 PolarHBondContact O-N 3.06Å; G287-G291 PolarHBondContact O-N 2.83Å; G287-M292 CarbonylContact C-O 3.52Å; G287-M292 VanDerWaalsContact C-O 3.31Å; G287-M292 WeakPolarHBondContact O-CB 3.47Å; G287-M292 PolarHBondContact O-N 3.38Å
288S92.8Very high95.2Very high52 Ų5215.8 Ų15.836%0.3648%0.082SC..Hα-helixtrans-58.8-31.5175.7-161.10000113.5K188 K284 I286 G291 M292K188-S288 PolarHBondContact NZ-O 3.43Å; K188-S288 PolarHBondContact NZ-OG 2.83Å; K284-S288 PolarHBondContact O-N 3.38Å; I286-S288 VanDerWaalsContact C-N 3.3Å; I286-S288 PolarHBondContact O-N 3.17Å; S288-G291 PolarHBondContact O-N 3.48Å; S288-M292 VanDerWaalsContact CA-O 3.23Å; S288-M292 WeakPolarHBondContact CA-O 3.27Å; S288-M292 PolarHBondContact N-O 3.09Å
289K90.1Very high95.1Very high57 Ų5715.4 Ų15.425%0.2488%0.08CC..Hα-helixtrans-78.8-21176.8-62.2-171.6173.4-146.90113.3W110 I111 Q113 Y116 I286 G287 G291W110-K289 WeakPolarHBondContact O-CE 3.36Å; W110-K289 PolarHBondContact O-NZ 3.07Å; I111-K289 PolarHBondContact O-NZ 3.41Å; Q113-K289 PolarHBondContact O-NZ 2.91Å; Y116-K289 HydrophobicContact CD2-CB 3.57Å; Y116-K289 HydrophobicContact CD2-CD 3.52Å; Y116-K289 HydrophobicContact CD2-CG 4.17Å; Y116-K289 HydrophobicContact CE2-CB 3.99Å; Y116-K289 HydrophobicContact CE2-CD 3.22Å; Y116-K289 HydrophobicContact CE2-CG 4.24Å; Y116-K289 HydrophobicContact CG-CB 4.25Å; I286-K289 WeakPolarHBondContact O-CA 3.29Å; I286-K289 WeakPolarHBondContact O-CB 3.25Å; I286-K289 PolarHBondContact O-N 3.12Å; G287-K289 PolarHBondContact O-N 2.9Å; K289-G291 VanDerWaalsContact C-N 3.29Å
290H92.6Very high94.9Very high8 Ų815.3 Ų15.34%0.0378%0.08CC..THydrogen-bonded Turntrans-88.46.5168.8-76.7-96.2000113Y116 H118 Y233 D236 I286 G287 M292Y116-H290 AromaticContact CD1-NE2 3.71Å; H118-H290 PolarHBondContact CE1-O 2.95Å; H118-H290 VanDerWaalsContact CE1-O 3.26Å; Y233-H290 AromaticContact CD2-CD2 3.98Å; D236-H290 IonicContact OD2-CD2 2.87Å; D236-H290 IonicContact OD2-CE1 3.89Å; D236-H290 PolarHBondContact OD2-CE1 3.4Å; D236-H290 IonicContact OD2-NE2 3.73Å; D236-H290 PolarHBondContact OD2-NE2 3.13Å; I286-H290 PolarHBondContact O-CD2 2.87Å; I286-H290 PolarHBondContact O-N 2.85Å; G287-H290 CarbonylContact O-C 3.41Å; G287-H290 WeakPolarHBondContact O-CA 3.3Å; G287-H290 PolarHBondContact O-N 3.06Å; H290-M292 VanDerWaalsContact C-N 3.27Å; H290-M292 HydrophobicContact CB-CE 3.59Å; H290-M292 PolarHBondContact O-N 2.97Å
291G92.3Very high94.7Very high14 Ų1415.2 Ų15.214%0.1448%0.08CC..THydrogen-bonded Turntrans75.815.6-17900000114H118 K188 W215 G287 S288 K289H118-G291 PolarHBondContact CE1-N 3.4Å; K188-G291 WeakPolarHBondContact CB-O 3.48Å; K188-G291 PolarHBondContact N-O 2.95Å; W215-G291 WeakPolarHBondContact CZ3-O 3.19Å; G287-G291 PolarHBondContact O-N 2.83Å; S288-G291 PolarHBondContact O-N 3.48Å; K289-G291 VanDerWaalsContact C-N 3.29Å
292M95.2Very high94.4Very high4 Ų414 Ų142%0.027%0.074CC..EExtended strand (participates in β ladder)trans-99.5154.7175.7-64.1-176.6-77.700111.1A185 F186 W215 Y230 Y233 G287 S288 H290 I294A185-M292 HydrophobicContact CB-CG 4.48Å; A185-M292 HydrophobicContact CB-SD 3.71Å; F186-M292 CarbonylContact O-C 3.41Å; F186-M292 VanDerWaalsContact O-CA 3.31Å; F186-M292 WeakPolarHBondContact O-CA 3.37Å; W215-M292 HydrophobicContact CB-CG 4.45Å; W215-M292 HydrophobicContact CB-SD 4.3Å; W215-M292 HydrophobicContact CD2-CG 3.5Å; W215-M292 HydrophobicContact CD2-SD 3.92Å; W215-M292 HydrophobicContact CE3-CG 3.62Å; W215-M292 HydrophobicContact CG-CG 3.89Å; W215-M292 HydrophobicContact CG-SD 3.73Å; W215-M292 HydrophobicContact CH2-CG 4.32Å; W215-M292 HydrophobicContact CZ2-CG 4.23Å; W215-M292 HydrophobicContact CZ3-CG 4.03Å; Y230-M292 HydrophobicContact CD1-SD 4.11Å; Y230-M292 HydrophobicContact CE1-SD 3.91Å; Y233-M292 HydrophobicContact CD1-CE 3.77Å; Y233-M292 HydrophobicContact CD2-CE 3.61Å; Y233-M292 HydrophobicContact CE1-CE 4.2Å; Y233-M292 HydrophobicContact CE2-CE 4.09Å; Y233-M292 HydrophobicContact CG-CE 3.42Å; Y233-M292 VanDerWaalsContact CG-CE 3.42Å; G287-M292 CarbonylContact C-O 3.52Å; G287-M292 VanDerWaalsContact C-O 3.31Å; G287-M292 WeakPolarHBondContact O-CB 3.47Å; G287-M292 PolarHBondContact O-N 3.38Å; S288-M292 VanDerWaalsContact CA-O 3.23Å; S288-M292 WeakPolarHBondContact CA-O 3.27Å; S288-M292 PolarHBondContact N-O 3.09Å; H290-M292 VanDerWaalsContact C-N 3.27Å; H290-M292 HydrophobicContact CB-CE 3.59Å; H290-M292 PolarHBondContact O-N 2.97Å; M292-I294 HydrophobicContact CB-CD1 3.98Å
293E94.5Very high93.9Very high38 Ų3819 Ų1918%0.17810%0.101CC..EExtended strand (participates in β ladder)trans-114.2118.2167-162.5166.7145.600107.5F186 G189 F510 N511F186-E293 HydrophobicContact CB-CB 4.49Å; F186-E293 PolarHBondContact N-O 3.03Å; F186-E293 PolarHBondContact O-N 2.84Å; G189-E293 PolarHBondContact N-OE2 2.85Å; G189-E293 VanDerWaalsContact N-OE2 3.13Å; E293-F510 HydrophobicContact CG-CE1 4.28Å; E293-N511 PolarHBondContact OE1-OD1 3.27Å; E293-N511 VanDerWaalsContact OE1-OD1 3.04Å
294I96.4Very high93.4Very high10 Ų1019.5 Ų19.55%0.05111%0.105CC..EExtended strand (participates in β ladder)trans-101.2130.5-173.2-54.2-56.8000109.7F183 R184 A185 V283 K284 M292 F296F183-I294 HydrophobicContact CB-CG2 4.35Å; F183-I294 HydrophobicContact CD2-CG2 3.53Å; F183-I294 HydrophobicContact CE2-CG2 4.17Å; F183-I294 HydrophobicContact CG-CG2 4.21Å; R184-I294 CarbonylContact O-C 3.45Å; R184-I294 VanDerWaalsContact O-CA 3.29Å; R184-I294 WeakPolarHBondContact O-CA 3.35Å; A185-I294 HydrophobicContact CB-CD1 3.64Å; V283-I294 HydrophobicContact CG2-CG2 4.24Å; K284-I294 HydrophobicContact CG-CB 4.05Å; K284-I294 HydrophobicContact CG-CG2 4.25Å; M292-I294 HydrophobicContact CB-CD1 3.98Å; I294-F296 HydrophobicContact CG2-CE2 4.07Å
295S96.1Very high93.1Very high0 Ų019.1 Ų19.10%011%0.107CC..EExtended strand (participates in β ladder)trans-126.5139.5176.3-172.60000111.6R184 M297 F510 M513R184-S295 PolarHBondContact N-O 3.17Å; R184-S295 PolarHBondContact O-N 3Å; S295-M297 VanDerWaalsContact OG-CB 3.23Å; S295-M297 WeakPolarHBondContact OG-CB 3.26Å; S295-M297 PolarHBondContact OG-N 2.84Å; S295-M297 VanDerWaalsContact OG-N 3.13Å; S295-F510 WeakPolarHBondContact CB-O 3.26Å; S295-F510 PolarHBondContact OG-O 2.87Å; S295-M513 PolarHBondContact OG-OXT 3.33Å
296F97.2Very high93.1Very high1 Ų118.4 Ų18.40%0.00411%0.106CC..  trans-10314.9168.5-62.8-115.1000111.4P181 F183 Y276 K280 V283 K284 I294 T298 S405 A406 M513P181-F296 HydrophobicContact CB-CE1 4.15Å; F183-F296 HydrophobicContact CB-CD1 3.86Å; F183-F296 HydrophobicContact CB-CD2 4.12Å; F183-F296 HydrophobicContact CB-CE1 3.83Å; F183-F296 HydrophobicContact CB-CE2 4.09Å; F183-F296 HydrophobicContact CB-CG 3.99Å; F183-F296 HydrophobicContact CB-CZ 3.94Å; F183-F296 AromaticContact CD1-CE1 3.98Å; F183-F296 HydrophobicContact CD1-CE1 3.98Å; F183-F296 HydrophobicContact CD1-CZ 4.01Å; F183-F296 HydrophobicContact CG-CE1 4.19Å; F183-F296 HydrophobicContact CG-CE2 4.42Å; F183-F296 HydrophobicContact CG-CZ 4.04Å; Y276-F296 HydrophobicContact CE2-CE1 4.08Å; K280-F296 HydrophobicContact CB-CE1 4.4Å; K280-F296 HydrophobicContact CB-CE2 4.42Å; K280-F296 HydrophobicContact CB-CZ 4.09Å; K280-F296 HydrophobicContact CD-CD1 4.21Å; K280-F296 HydrophobicContact CD-CD2 4.39Å; K280-F296 HydrophobicContact CD-CE1 4.41Å; K280-F296 HydrophobicContact CD-CG 4.22Å; K280-F296 HydrophobicContact CG-CD1 4.16Å; K280-F296 HydrophobicContact CG-CD2 3.87Å; K280-F296 HydrophobicContact CG-CE1 3.96Å; K280-F296 HydrophobicContact CG-CE2 3.64Å; K280-F296 HydrophobicContact CG-CG 4.14Å; K280-F296 HydrophobicContact CG-CZ 3.69Å; V283-F296 HydrophobicContact CG2-CE2 3.54Å; V283-F296 HydrophobicContact CG2-CZ 3.37Å; K284-F296 HydrophobicContact CG-CE2 4.25Å; I294-F296 HydrophobicContact CG2-CE2 4.07Å; F296-T298 PolarHBondContact O-N 3.37Å; F296-S405 CarbonylContact O-C 3.48Å; F296-S405 WeakPolarHBondContact O-CB 3.08Å; F296-A406 PolarHBondContact O-N 3.42Å; F296-M513 WeakPolarHBondContact CB-O 3.42Å; F296-M513 WeakPolarHBondContact CD2-O 3.26Å; F296-M513 PolarHBondContact N-OXT 3.03Å
297M96.1Very high93Very high1 Ų118.4 Ų18.41%0.00511%0.106CC..  trans-55.5129.5167.8-177.4175178.100109.6S295 T299 P300 N361 L502 E505 R506 F510S295-M297 VanDerWaalsContact OG-CB 3.23Å; S295-M297 WeakPolarHBondContact OG-CB 3.26Å; S295-M297 PolarHBondContact OG-N 2.84Å; S295-M297 VanDerWaalsContact OG-N 3.13Å; M297-T299 PolarHBondContact O-N 2.66Å; M297-P300 HydrophobicContact CB-CB 4.5Å; M297-P300 HydrophobicContact CG-CB 4.45Å; M297-P300 WeakPolarHBondContact O-CD 3.21Å; M297-P300 HydrophobicContact SD-CB 4.25Å; M297-N361 HydrophobicContact CE-CB 4.02Å; M297-N361 WeakPolarHBondContact CE-ND2 3.25Å; M297-N361 VanDerWaalsContact CG-OD1 3.3Å; M297-N361 WeakPolarHBondContact CG-OD1 3.12Å; M297-L502 HydrophobicContact CE-CD1 3.89Å; M297-E505 HydrophobicContact CE-CB 3.81Å; M297-R506 HydrophobicContact CE-CB 4.47Å; M297-R506 HydrophobicContact CE-CG 3.92Å; M297-R506 HydrophobicContact SD-CG 3.94Å; M297-F510 HydrophobicContact SD-CB 4.13Å; M297-F510 HydrophobicContact SD-CD2 4.26Å
298T95.2Very high93Very high0 Ų018.5 Ų18.50%011%0.107CC..SBendtrans-62.1-42.6-170.2-55.80000113.3F296 S306 S307 N361 C362 R365 S404F296-T298 PolarHBondContact O-N 3.37Å; T298-S306 CarbonylContact O-C 3.55Å; T298-S306 WeakPolarHBondContact O-CA 3.4Å; T298-S306 VanDerWaalsContact O-CB 3.28Å; T298-S306 WeakPolarHBondContact O-CB 3.28Å; T298-S307 PolarHBondContact O-N 3.28Å; T298-N361 PolarHBondContact N-OD1 3.33Å; T298-C362 PolarHBondContact OG1-SG 2.96Å; T298-R365 HydrophobicContact CG2-CB 3.64Å; T298-R365 HydrophobicContact CG2-CG 4.32Å; T298-S404 WeakPolarHBondContact OG1-CB 3.45Å
299T94.5Very high93.2Very high1 Ų116 Ų161%0.0069%0.09CC..  trans-137.982.6-179.8-50.20000108.9M297 L301 S306 N361 R364 L502M297-T299 PolarHBondContact O-N 2.66Å; T299-L301 VanDerWaalsContact C-N 3.33Å; T299-L301 WeakPolarHBondContact CG2-O 3.36Å; T299-S306 PolarHBondContact OG1-OG 3.41Å; T299-N361 PolarHBondContact N-OD1 3.22Å; T299-N361 PolarHBondContact O-ND2 2.95Å; T299-R364 HydrophobicContact CG2-CB 4.21Å; T299-L502 VanDerWaalsContact O-CD1 3.31Å; T299-L502 WeakPolarHBondContact O-CD1 3.21Å
300P94Very high93.6Very high0 Ų014.4 Ų14.40%08%0.083CC..SBendtrans-80.2-15.8-177.431-33.4000113.3R184 F186 M297 L502 R506 F510R184-P300 HydrophobicContact CB-CG 4.47Å; R184-P300 HydrophobicContact CG-CG 4Å; F186-P300 HydrophobicContact CE2-CB 4.38Å; F186-P300 HydrophobicContact CE2-CG 4.33Å; F186-P300 HydrophobicContact CZ-CB 3.81Å; F186-P300 HydrophobicContact CZ-CG 3.74Å; M297-P300 HydrophobicContact CB-CB 4.5Å; M297-P300 HydrophobicContact CG-CB 4.45Å; M297-P300 WeakPolarHBondContact O-CD 3.21Å; M297-P300 HydrophobicContact SD-CB 4.25Å; P300-L502 WeakPolarHBondContact O-CD2 3.32Å; P300-R506 PolarHBondContact O-NH1 3.31Å; P300-F510 HydrophobicContact CB-CD2 4.3Å; P300-F510 HydrophobicContact CB-CE2 4.28Å
301L93.5Very high93.9Very high16 Ų1614 Ų148%0.0848%0.081CC..SBendtrans-131.5133.1179.5-59.6175.2000109.7F186 K211 P212 P214 T299F186-L301 HydrophobicContact CE1-CD1 4.35Å; F186-L301 HydrophobicContact CE1-CD2 4.49Å; F186-L301 HydrophobicContact CE1-CG 4.42Å; K211-L301 HydrophobicContact CB-CD2 4.48Å; P212-L301 HydrophobicContact CG-CD2 3.88Å; P214-L301 HydrophobicContact CG-CD1 3.81Å; T299-L301 VanDerWaalsContact C-N 3.33Å; T299-L301 WeakPolarHBondContact CG2-O 3.36Å
302L89.4Confident94.2Very high17 Ų1713.9 Ų13.99%0.0898%0.077CC..THydrogen-bonded Turntrans-62.9-45.6-175.5-69.4174.3000113.6S304 N497 E499 L502L302-S304 PolarHBondContact O-N 2.95Å; L302-N497 WeakPolarHBondContact CD1-O 3.38Å; L302-N497 WeakPolarHBondContact CD2-OD1 3.48Å; L302-E499 HydrophobicContact CD1-CG 3.91Å; L302-E499 WeakPolarHBondContact CD1-OE1 3.2Å; L302-L502 HydrophobicContact CB-CD2 4.46Å; L302-L502 HydrophobicContact CD2-CB 4.14Å; L302-L502 HydrophobicContact CD2-CD2 3.75Å; L302-L502 HydrophobicContact CD2-CG 4.47Å; L302-L502 HydrophobicContact CG-CB 4.43Å; L302-L502 HydrophobicContact CG-CD2 3.6Å
303D84.2Confident94.3Very high105 Ų10513.7 Ų13.756%0.5618%0.076SC*.THydrogen-bonded Turntrans-88.49.1-168.7-57.5-52.6000112.5K211 R219K211-D303 IonicContact NZ-OD2 3.48Å; K211-D303 PolarHBondContact NZ-OD2 2.84Å; R219-D303 PolarHBondContact NH1-O 2.76Å; R219-D303 PolarHBondContact NH2-O 3.34Å
304S87.1Confident94.5Very high11 Ų1112.2 Ų12.28%0.0777%0.07CC..SBendtrans-122.7169.5-170.1-161.60000112.8R184 E257 L302R184-S304 PolarHBondContact NH1-OG 2.81Å; R184-S304 VanDerWaalsContact NH1-OG 3.1Å; R184-S304 PolarHBondContact NH2-OG 3.01Å; E257-S304 WeakPolarHBondContact OE2-CB 3.47Å; E257-S304 PolarHBondContact OE2-OG 2.81Å; L302-S304 PolarHBondContact O-N 2.95Å
305S90.2Very high94.6Very high30 Ų3011.8 Ų11.821%0.217%0.068CC..PPolyproline II helixtrans-70.1140.8-177.5-56.90000112R184 D255R184-S305 PolarHBondContact NH2-O 2.9Å; D255-S305 WeakPolarHBondContact OD2-CB 3.48Å; D255-S305 PolarHBondContact OD2-OG 3.42Å
306S93Very high94.8Very high21 Ų2113.3 Ų13.315%0.1477%0.073CC..PPolyproline II helixtrans-81.5155.6179.7-60.20000111Q259 T298 T299 R365Q259-S306 PolarHBondContact NE2-O 2.86Å; T298-S306 CarbonylContact O-C 3.55Å; T298-S306 WeakPolarHBondContact O-CA 3.4Å; T298-S306 VanDerWaalsContact O-CB 3.28Å; T298-S306 WeakPolarHBondContact O-CB 3.28Å; T299-S306 PolarHBondContact OG1-OG 3.41Å; S306-R365 VanDerWaalsContact CB-CG 3.41Å
307S94.6Very high94.8Very high0 Ų017.1 Ų17.10%09%0.089CC..PPolyproline II helixtrans-90.1118.1174.6-61.80000111.9E182 Q259 T298 S405E182-S307 VanDerWaalsContact OE2-CA 3.26Å; E182-S307 WeakPolarHBondContact OE2-CA 3.44Å; Q259-S307 PolarHBondContact NE2-OG 3.45Å; T298-S307 PolarHBondContact O-N 3.28Å; S307-S405 PolarHBondContact O-OG 2.71Å
308G94.9Very high94.8Very high2 Ų218.9 Ų18.92%0.02110%0.103CC..BIsolated β-bridgetrans-96.7165.7173.100000113.1E182 S405E182-G308 WeakPolarHBondContact CB-O 3.43Å; E182-G308 PolarHBondContact N-O 3.36Å; E182-G308 PolarHBondContact OE2-N 2.75Å; G308-S405 VanDerWaalsContact C-OG 3.31Å; G308-S405 PolarHBondContact O-OG 3.1Å
309C97Very high94.7Very high0 Ų024.3 Ų24.30%013%0.132CC..EExtended strand (participates in β ladder)trans-135.487.6167.7-174.70000108.4E180 Y276 Y311 P403 S404E180-C309 VanDerWaalsContact O-CA 3.3Å; E180-C309 WeakPolarHBondContact O-CA 3.39Å; Y276-C309 VanDerWaalsContact CE1-SG 3.55Å; C309-Y311 PolarHBondContact O-N 3.48Å; C309-P403 PolarHBondContact N-O 3.02Å; C309-P403 VanDerWaalsContact O-CB 3.26Å; C309-P403 WeakPolarHBondContact O-CB 3.21Å; C309-S404 WeakPolarHBondContact CB-O 3.33Å
310H97.1Very high94.7Very high23 Ų2328.2 Ų28.211%0.10615%0.153CC..EExtended strand (participates in β ladder)trans-65.4136.9179.7-52.5142.5000109.5F179 E180 E399 N400F179-H310 CarbonylContact C-O 3.31Å; F179-H310 WeakPolarHBondContact CA-O 3.33Å; E180-H310 HydrophobicContact CB-CB 4.13Å; E180-H310 HydrophobicContact CG-CB 4.5Å; E180-H310 PolarHBondContact N-O 2.68Å; E180-H310 PolarHBondContact O-N 3.17Å; E180-H310 WeakPolarHBondContact OE2-CB 3.27Å; E180-H310 IonicContact OE2-CG 3.97Å; E180-H310 IonicContact OE2-ND1 3.89Å; E180-H310 PolarHBondContact OE2-ND1 2.95Å; H310-E399 HydrophobicContact CB-CG 4.08Å; H310-N400 WeakPolarHBondContact CA-O 3.47Å
311Y98.6Very high94.7Very high1 Ų132.5 Ų32.50%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-106.7113175.5178.9-117.3000109.2L175 S177 A178 F179 C309 H313 N400 V412 T416L175-Y311 WeakPolarHBondContact CD2-OH 3.48Å; S177-Y311 VanDerWaalsContact CB-OH 3.24Å; S177-Y311 WeakPolarHBondContact CB-OH 3.13Å; S177-Y311 PolarHBondContact OG-OH 3.38Å; A178-Y311 WeakPolarHBondContact O-CD2 3.47Å; F179-Y311 AromaticContact CD1-CD2 3.77Å; F179-Y311 HydrophobicContact CD1-CD2 3.77Å; F179-Y311 HydrophobicContact CD1-CG 4.49Å; F179-Y311 HydrophobicContact CD2-CD2 4.13Å; F179-Y311 HydrophobicContact CD2-CE2 4.3Å; F179-Y311 AromaticContact CE1-CD2 3.43Å; F179-Y311 HydrophobicContact CE1-CD2 3.43Å; F179-Y311 VanDerWaalsContact CE1-CD2 3.43Å; F179-Y311 HydrophobicContact CE1-CE2 4.05Å; F179-Y311 HydrophobicContact CE1-CG 4.11Å; F179-Y311 AromaticContact CE2-CD2 3.8Å; F179-Y311 HydrophobicContact CE2-CD2 3.8Å; F179-Y311 AromaticContact CE2-CE2 3.68Å; F179-Y311 HydrophobicContact CE2-CE2 3.68Å; F179-Y311 HydrophobicContact CG-CD2 4.11Å; F179-Y311 AromaticContact CZ-CD2 3.44Å; F179-Y311 HydrophobicContact CZ-CD2 3.44Å; F179-Y311 VanDerWaalsContact CZ-CD2 3.44Å; F179-Y311 AromaticContact CZ-CE2 3.54Å; F179-Y311 HydrophobicContact CZ-CE2 3.54Å; F179-Y311 HydrophobicContact CZ-CG 4.4Å; C309-Y311 PolarHBondContact O-N 3.48Å; Y311-H313 HydrophobicContact CD1-CB 4.47Å; Y311-H313 AromaticContact CD1-ND1 3.59Å; Y311-H313 HydrophobicContact CE1-CB 3.82Å; Y311-H313 AromaticContact CE1-CG 3.83Å; Y311-H313 AromaticContact CE1-ND1 3.58Å; Y311-N400 PolarHBondContact N-O 2.85Å; Y311-N400 PolarHBondContact O-N 3.23Å; Y311-V412 HydrophobicContact CD1-CG1 4.11Å; Y311-V412 HydrophobicContact CD2-CG1 4.48Å; Y311-V412 HydrophobicContact CG-CG1 3.91Å; Y311-T416 HydrophobicContact CD1-CG2 4.29Å; Y311-T416 HydrophobicContact CE1-CG2 3.92Å
312N98.5Very high94.9Very high10 Ų1037.4 Ų37.45%0.05319%0.193CC..EExtended strand (participates in β ladder)trans-100.9126.5-179.8-64.4-70.6000109.5S177 A178 E180 Y397 I398 E399S177-N312 CarbonylContact C-O 3.5Å; S177-N312 WeakPolarHBondContact CA-O 3.49Å; S177-N312 WeakPolarHBondContact CB-O 3.47Å; A178-N312 PolarHBondContact N-O 2.82Å; A178-N312 PolarHBondContact O-N 3.12Å; E180-N312 VanDerWaalsContact CG-ND2 3.35Å; E180-N312 WeakPolarHBondContact CG-ND2 3.46Å; E180-N312 PolarHBondContact OE1-ND2 3.01Å; N312-Y397 HydrophobicContact CB-CD2 4.03Å; N312-Y397 HydrophobicContact CB-CE2 4.05Å; N312-Y397 WeakPolarHBondContact OD1-CE2 3.36Å; N312-I398 CarbonylContact C-O 3.53Å; N312-I398 WeakPolarHBondContact CA-O 3.5Å; N312-E399 WeakPolarHBondContact OD1-CB 3.36Å; N312-E399 VanDerWaalsContact OD1-CG 3.3Å; N312-E399 WeakPolarHBondContact OD1-CG 3.16Å
313H98.8Very high95.4Very high1 Ų136.8 Ų36.81%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-144.9150.2-18064.6-80.9000113.4L175 Y176 Y311 F325 W341 Y397 I398L175-H313 HydrophobicContact CD1-CB 3.88Å; Y176-H313 CarbonylContact O-C 3.51Å; Y176-H313 WeakPolarHBondContact O-CA 3.23Å; Y311-H313 HydrophobicContact CD1-CB 4.47Å; Y311-H313 AromaticContact CD1-ND1 3.59Å; Y311-H313 HydrophobicContact CE1-CB 3.82Å; Y311-H313 AromaticContact CE1-CG 3.83Å; Y311-H313 AromaticContact CE1-ND1 3.58Å; H313-F325 AromaticContact CD2-CE2 3.99Å; H313-W341 AromaticContact CD2-NE1 3.71Å; H313-W341 AromaticContact NE2-CD1 3.86Å; H313-W341 AromaticContact NE2-NE1 3.16Å; H313-W341 PolarHBondContact NE2-NE1 3.5Å; H313-W341 VanDerWaalsContact NE2-NE1 3.16Å; H313-Y397 WeakPolarHBondContact O-CB 3.29Å; H313-I398 PolarHBondContact N-O 3.25Å; H313-I398 PolarHBondContact O-N 2.67Å
314S98.7Very high96Very high7 Ų731.9 Ų31.95%0.04916%0.164CC..EExtended strand (participates in β ladder)trans-136.5152.7169.955.80000109.8Y176 W316Y176-S314 PolarHBondContact N-O 3.04Å; Y176-S314 PolarHBondContact O-N 3Å; Y176-S314 PolarHBondContact O-OG 3.42Å; S314-W316 PolarHBondContact OG-NE1 2.81Å
315L98.8Very high96.6Very high0 Ų031.4 Ų31.40%016%0.161CC..EExtended strand (participates in β ladder)trans-106.2142173.2-63.5-176.5000109.9L167 L173 R174 L175 N323 A324 F325 L337 W341L167-L315 HydrophobicContact CD1-CD1 4.35Å; L167-L315 HydrophobicContact CD1-CD2 4.36Å; L167-L315 HydrophobicContact CD2-CD2 3.77Å; L173-L315 HydrophobicContact CD1-CD1 4.03Å; L173-L315 HydrophobicContact CD2-CB 4.46Å; R174-L315 WeakPolarHBondContact O-CA 3.48Å; L175-L315 HydrophobicContact CB-CD2 4.47Å; L175-L315 HydrophobicContact CD1-CD2 3.98Å; L315-N323 CarbonylContact O-C 3.48Å; L315-N323 PolarHBondContact O-OD1 3.4Å; L315-A324 HydrophobicContact CB-CB 4.19Å; L315-A324 WeakPolarHBondContact O-CB 3.47Å; L315-A324 PolarHBondContact O-N 2.69Å; L315-F325 HydrophobicContact CB-CD1 4.21Å; L315-F325 HydrophobicContact CB-CE1 3.81Å; L315-F325 HydrophobicContact CB-CZ 4.05Å; L315-F325 HydrophobicContact CD1-CE1 3.61Å; L315-F325 HydrophobicContact CD1-CZ 3.83Å; L315-F325 HydrophobicContact CG-CE1 3.64Å; L315-F325 HydrophobicContact CG-CE2 4.34Å; L315-F325 HydrophobicContact CG-CZ 3.54Å; L315-L337 HydrophobicContact CD1-CD2 4.26Å; L315-W341 HydrophobicContact CD1-CD2 3.78Å; L315-W341 HydrophobicContact CD1-CE3 3.47Å; L315-W341 VanDerWaalsContact CD1-CE3 3.47Å; L315-W341 HydrophobicContact CD1-CH2 3.78Å; L315-W341 HydrophobicContact CD1-CZ2 4.08Å; L315-W341 HydrophobicContact CD1-CZ3 3.48Å; L315-W341 VanDerWaalsContact CD1-CZ3 3.48Å; L315-W341 HydrophobicContact CD2-CH2 4.39Å
316W98.6Very high97Very high32 Ų3231.9 Ų31.912%0.12116%0.158CC..EExtended strand (participates in β ladder)trans-130.1138.5-178.2-66.372.2000110L173 R174 W268 S314 A318 N321 R322 N323L173-W316 CarbonylContact C-O 3.55Å; L173-W316 WeakPolarHBondContact CA-O 3.15Å; R174-W316 PolarHBondContact N-O 3.35Å; R174-W316 PolarHBondContact O-N 3.09Å; W268-W316 HydrophobicContact CH2-CB 4.01Å; W268-W316 AromaticContact CH2-CD1 3.91Å; W268-W316 AromaticContact CH2-CD2 3.99Å; W268-W316 HydrophobicContact CH2-CD2 3.99Å; W268-W316 AromaticContact CH2-CG 3.7Å; W268-W316 HydrophobicContact CH2-CG 3.7Å; W268-W316 HydrophobicContact CZ3-CB 3.89Å; W268-W316 AromaticContact CZ3-CD1 3.86Å; W268-W316 AromaticContact CZ3-CG 3.85Å; W268-W316 HydrophobicContact CZ3-CG 3.85Å; S314-W316 PolarHBondContact OG-NE1 2.81Å; W316-A318 PolarHBondContact O-N 2.59Å; W316-N321 WeakPolarHBondContact CZ3-O 3.11Å; W316-R322 CarbonylContact C-O 3.58Å; W316-R322 VanDerWaalsContact CA-O 3.28Å; W316-R322 WeakPolarHBondContact CA-O 3.43Å; W316-N323 HydrophobicContact CD2-CB 4.07Å; W316-N323 HydrophobicContact CE3-CB 4.09Å; W316-N323 VanDerWaalsContact CE3-N 3.33Å; W316-N323 HydrophobicContact CH2-CB 3.87Å; W316-N323 HydrophobicContact CZ2-CB 3.84Å; W316-N323 HydrophobicContact CZ3-CB 3.99Å
317Y98.2Very high97.2Very high82 Ų8233.2 Ų33.232%0.32216%0.164SC..EExtended strand (participates in β ladder)trans-68.6123.8174.7-70-66.4000110.3L173 N319 N320 N321 R322 A324 L337L173-Y317 HydrophobicContact CD2-CD1 3.68Å; L173-Y317 HydrophobicContact CD2-CE1 3.84Å; L173-Y317 HydrophobicContact CD2-CG 4.39Å; Y317-N319 WeakPolarHBondContact CB-OD1 3.08Å; Y317-N319 PolarHBondContact O-N 2.99Å; Y317-N320 WeakPolarHBondContact CB-OD1 3.36Å; Y317-N320 PolarHBondContact O-N 2.99Å; Y317-N321 WeakPolarHBondContact O-CA 3.46Å; Y317-N321 PolarHBondContact O-N 3.35Å; Y317-R322 HydrophobicContact CD2-CB 4.38Å; Y317-R322 PolarHBondContact N-O 3.16Å; Y317-A324 HydrophobicContact CD1-CB 4.44Å; Y317-A324 HydrophobicContact CD2-CB 3.89Å; Y317-A324 HydrophobicContact CE1-CB 4.23Å; Y317-A324 HydrophobicContact CE2-CB 3.66Å; Y317-A324 HydrophobicContact CG-CB 4.28Å; Y317-L337 HydrophobicContact CE1-CD1 4.4Å
318A94.8Very high97.3Very high38 Ų3838.1 Ų38.131%0.31419%0.19SC..THydrogen-bonded Turntrans-65.8-26.9-173.700000113.2N172 R174 W316N172-A318 PolarHBondContact O-N 3.41Å; N172-A318 WeakPolarHBondContact OD1-CB 3.28Å; R174-A318 HydrophobicContact CG-CB 3.76Å; W316-A318 PolarHBondContact O-N 2.59Å
319N94.2Very high97.4Very high113 Ų11346.5 Ų46.560%0.60423%0.226SC*.THydrogen-bonded Turntrans-79.5-21.1-175.364.1-10000114.4Y317Y317-N319 WeakPolarHBondContact CB-OD1 3.08Å; Y317-N319 PolarHBondContact O-N 2.99Å
320N95.4Very high97.4Very high83 Ų8348.5 Ų48.544%0.44424%0.236SC..THydrogen-bonded Turntrans-142.91.5-17466.219.5000114.3Y317 R322Y317-N320 WeakPolarHBondContact CB-OD1 3.36Å; Y317-N320 PolarHBondContact O-N 2.99Å; N320-R322 HydrophobicContact CB-CG 4.49Å; N320-R322 PolarHBondContact O-N 3.31Å; N320-R322 VanDerWaalsContact OD1-CB 3.29Å; N320-R322 WeakPolarHBondContact OD1-CB 3.46Å; N320-R322 WeakPolarHBondContact OD1-CG 3.28Å; N320-R322 PolarHBondContact OD1-N 3.39Å
321N93.7Very high97.3Very high90 Ų9053.1 Ų53.148%0.48127%0.269SS..  trans50.240.4-177.3-65.3-30.7000113W316 Y317W316-N321 WeakPolarHBondContact CZ3-O 3.11Å; Y317-N321 WeakPolarHBondContact O-CA 3.46Å; Y317-N321 PolarHBondContact O-N 3.35Å
322R97.5Very high97.2Very high120 Ų12056.2 Ų56.245%0.45329%0.285SS..  trans-93.7143.6167.5-67.2-169.365.8-167.5-3.2111W316 Y317 N320 A324 E393W316-R322 CarbonylContact C-O 3.58Å; W316-R322 VanDerWaalsContact CA-O 3.28Å; W316-R322 WeakPolarHBondContact CA-O 3.43Å; Y317-R322 HydrophobicContact CD2-CB 4.38Å; Y317-R322 PolarHBondContact N-O 3.16Å; N320-R322 HydrophobicContact CB-CG 4.49Å; N320-R322 PolarHBondContact O-N 3.31Å; N320-R322 VanDerWaalsContact OD1-CB 3.29Å; N320-R322 WeakPolarHBondContact OD1-CB 3.46Å; N320-R322 WeakPolarHBondContact OD1-CG 3.28Å; N320-R322 PolarHBondContact OD1-N 3.39Å; R322-A324 PolarHBondContact O-N 3.16Å; R322-A324 VanDerWaalsContact O-N 3.16Å; R322-E393 IonicContact CZ-OE1 2.72Å; R322-E393 IonicContact NE-OE1 2.85Å; R322-E393 PolarHBondContact NE-OE1 3.44Å; R322-E393 IonicContact NH2-OE1 3.78Å
323N98.4Very high97.2Very high4 Ų461.5 Ų61.52%0.02130%0.304CS..BIsolated β-bridgetrans-70.6111.4178.1-171.6-27000109.5L315 W316 F325 Y326 E393 T396L315-N323 CarbonylContact O-C 3.48Å; L315-N323 PolarHBondContact O-OD1 3.4Å; W316-N323 HydrophobicContact CD2-CB 4.07Å; W316-N323 HydrophobicContact CE3-CB 4.09Å; W316-N323 VanDerWaalsContact CE3-N 3.33Å; W316-N323 HydrophobicContact CH2-CB 3.87Å; W316-N323 HydrophobicContact CZ2-CB 3.84Å; W316-N323 HydrophobicContact CZ3-CB 3.99Å; N323-F325 PolarHBondContact O-N 3.41Å; N323-F325 WeakPolarHBondContact OD1-CB 3.39Å; N323-F325 PolarHBondContact OD1-N 2.97Å; N323-Y326 PolarHBondContact O-N 3.38Å; N323-E393 HydrophobicContact CB-CG 3.78Å; N323-E393 WeakPolarHBondContact CB-O 3.45Å; N323-E393 PolarHBondContact ND2-O 3.05Å; N323-T396 PolarHBondContact ND2-O 2.94Å
324A98.6Very high97.2Very high2 Ų261.5 Ų61.52%0.01730%0.304CS..THydrogen-bonded Turntrans-69.4-14.8-176.900000112.9L173 L315 Y317 R322 S335 L337L173-A324 HydrophobicContact CD2-CB 3.67Å; L315-A324 HydrophobicContact CB-CB 4.19Å; L315-A324 WeakPolarHBondContact O-CB 3.47Å; L315-A324 PolarHBondContact O-N 2.69Å; Y317-A324 HydrophobicContact CD1-CB 4.44Å; Y317-A324 HydrophobicContact CD2-CB 3.89Å; Y317-A324 HydrophobicContact CE1-CB 4.23Å; Y317-A324 HydrophobicContact CE2-CB 3.66Å; Y317-A324 HydrophobicContact CG-CB 4.28Å; R322-A324 PolarHBondContact O-N 3.16Å; R322-A324 VanDerWaalsContact O-N 3.16Å; A324-S335 WeakPolarHBondContact O-CB 3.49Å; A324-S335 PolarHBondContact O-OG 3.37Å; A324-L337 HydrophobicContact CB-CD1 4.23Å; A324-L337 HydrophobicContact CB-CD2 4.18Å
325F98.7Very high97.1Very high1 Ų161.7 Ų61.70%0.00431%0.306CS..THydrogen-bonded Turntrans-85.3-18174.2-68.8-14.5000114.1H313 L315 N323 S335 L337 A338 W341 T396 I398H313-F325 AromaticContact CD2-CE2 3.99Å; L315-F325 HydrophobicContact CB-CD1 4.21Å; L315-F325 HydrophobicContact CB-CE1 3.81Å; L315-F325 HydrophobicContact CB-CZ 4.05Å; L315-F325 HydrophobicContact CD1-CE1 3.61Å; L315-F325 HydrophobicContact CD1-CZ 3.83Å; L315-F325 HydrophobicContact CG-CE1 3.64Å; L315-F325 HydrophobicContact CG-CE2 4.34Å; L315-F325 HydrophobicContact CG-CZ 3.54Å; N323-F325 PolarHBondContact O-N 3.41Å; N323-F325 WeakPolarHBondContact OD1-CB 3.39Å; N323-F325 PolarHBondContact OD1-N 2.97Å; F325-S335 PolarHBondContact O-N 3.06Å; F325-S335 PolarHBondContact O-OG 3.16Å; F325-L337 HydrophobicContact CD1-CD2 3.73Å; F325-L337 HydrophobicContact CE1-CD2 3.73Å; F325-A338 HydrophobicContact CB-CB 3.84Å; F325-A338 HydrophobicContact CD1-CB 3.67Å; F325-A338 HydrophobicContact CE1-CB 4.41Å; F325-A338 HydrophobicContact CG-CB 3.9Å; F325-W341 HydrophobicContact CE1-CB 4.02Å; F325-W341 HydrophobicContact CE1-CD2 4.3Å; F325-W341 AromaticContact CE1-CG 3.88Å; F325-W341 HydrophobicContact CE1-CG 3.88Å; F325-W341 HydrophobicContact CZ-CB 4.34Å; F325-W341 AromaticContact CZ-CD1 3.62Å; F325-W341 HydrophobicContact CZ-CD2 4.14Å; F325-W341 AromaticContact CZ-CG 3.77Å; F325-W341 HydrophobicContact CZ-CG 3.77Å; F325-W341 AromaticContact CZ-NE1 3.87Å; F325-T396 HydrophobicContact CB-CG2 3.85Å; F325-I398 HydrophobicContact CD2-CD1 4.06Å; F325-I398 HydrophobicContact CD2-CG1 4.13Å; F325-I398 HydrophobicContact CE2-CB 4.48Å; F325-I398 HydrophobicContact CE2-CD1 3.52Å; F325-I398 HydrophobicContact CE2-CG1 3.87Å; F325-I398 HydrophobicContact CZ-CD1 3.8Å
326Y98.6Very high97.1Very high39 Ų3965.2 Ų65.215%0.15333%0.327CS..BIsolated β-bridgetrans-93.9138.3-177.2179.8-105.3000111.7N323 D328 R333 E393 T396N323-Y326 PolarHBondContact O-N 3.38Å; Y326-D328 HydrophobicContact CE1-CB 3.87Å; Y326-R333 HydrophobicContact CD2-CB 4.14Å; Y326-R333 WeakPolarHBondContact CD2-O 3.46Å; Y326-R333 HydrophobicContact CE2-CB 3.8Å; Y326-R333 HydrophobicContact CE2-CG 4.18Å; Y326-E393 HydrophobicContact CD1-CB 3.43Å; Y326-E393 VanDerWaalsContact CD1-CB 3.43Å; Y326-E393 HydrophobicContact CD1-CG 3.62Å; Y326-E393 HydrophobicContact CE1-CB 3.7Å; Y326-E393 HydrophobicContact CE1-CG 4.28Å; Y326-E393 VanDerWaalsContact CG-CA 3.47Å; Y326-E393 HydrophobicContact CG-CB 3.88Å; Y326-E393 HydrophobicContact CG-CG 4.12Å; Y326-T396 WeakPolarHBondContact CD2-OG1 3.33Å
327D97.8Very high97.1Very high50 Ų5065.1 Ų65.127%0.26733%0.329SS..  trans-140.2115.1169.4-174.1-11.1000108.9K329 D330 R333D327-K329 PolarHBondContact O-N 2.85Å; D327-K329 WeakPolarHBondContact OD1-CB 3.45Å; D327-K329 PolarHBondContact OD1-N 3.39Å; D327-D330 HydrophobicContact CB-CB 4.19Å; D327-D330 PolarHBondContact O-N 2.87Å; D327-R333 PolarHBondContact N-O 2.62Å; D327-R333 CarbonylContact O-C 3.54Å; D327-R333 WeakPolarHBondContact O-CA 3.23Å
328D96.7Very high97.1Very high102 Ų10261.2 Ų61.255%0.54531%0.313SS..THydrogen-bonded Turntrans-71.1-13.8-178.165.4-27.4000113.7Y326Y326-D328 HydrophobicContact CE1-CB 3.87Å
329K96.8Very high97.3Very high179 Ų17961.2 Ų61.278%0.77831%0.306SS*.THydrogen-bonded Turntrans-89.7-21.4179-59.4176.2-175.1174.10113.1D327D327-K329 PolarHBondContact O-N 2.85Å; D327-K329 WeakPolarHBondContact OD1-CB 3.45Å; D327-K329 PolarHBondContact OD1-N 3.39Å
330D97.1Very high97.5Very high41 Ų4156.8 Ų56.822%0.21928%0.281CS..SBendtrans-76.8133.9175.6-173.6-95.1000109.6D327 D332 R333 L334 R339D327-D330 HydrophobicContact CB-CB 4.19Å; D327-D330 PolarHBondContact O-N 2.87Å; D330-D332 PolarHBondContact O-N 3.24Å; D330-D332 WeakPolarHBondContact OD1-CA 3.17Å; D330-D332 WeakPolarHBondContact OD1-CB 2.93Å; D330-D332 PolarHBondContact OD1-N 3.13Å; D330-R333 WeakPolarHBondContact O-CA 3.42Å; D330-R333 PolarHBondContact O-N 3.17Å; D330-R333 PolarHBondContact OD1-N 3.43Å; D330-L334 WeakPolarHBondContact CB-O 3.23Å; D330-L334 VanDerWaalsContact CG-O 3.26Å; D330-L334 PolarHBondContact OD1-N 3.47Å; D330-R339 IonicContact OD1-NH2 3.41Å; D330-R339 PolarHBondContact OD1-NH2 3.14Å; D330-R339 IonicContact OD2-NH2 3.72Å; D330-R339 PolarHBondContact OD2-NH2 2.84Å
331P95.6Very high97.7Very high121 Ų12152.8 Ų52.879%0.78626%0.26SS*.THydrogen-bonded Turntrans-57.1-32.4178.6-26.935.4000113.9R333P331-R333 VanDerWaalsContact C-N 3.28Å
332D96.4Very high98Very high65 Ų6548.5 Ų48.535%0.34824%0.237SC..THydrogen-bonded Turntrans-90.49.2176-52.7-37.1000111.9D330 L334 R339 F379 N390D330-D332 PolarHBondContact O-N 3.24Å; D330-D332 WeakPolarHBondContact OD1-CA 3.17Å; D330-D332 WeakPolarHBondContact OD1-CB 2.93Å; D330-D332 PolarHBondContact OD1-N 3.13Å; D332-L334 HydrophobicContact CB-CB 4.34Å; D332-L334 PolarHBondContact O-N 2.98Å; D332-R339 IonicContact OD2-CZ 2.66Å; D332-R339 IonicContact OD2-NH1 3.92Å; D332-R339 IonicContact OD2-NH2 2.67Å; D332-R339 PolarHBondContact OD2-NH2 3.47Å; D332-F379 HydrophobicContact CB-CE1 4.01Å; D332-F379 HydrophobicContact CB-CE2 4.25Å; D332-F379 HydrophobicContact CB-CZ 3.57Å; D332-N390 PolarHBondContact O-ND2 2.79Å
333R97.5Very high98Very high122 Ų12242.9 Ų42.946%0.4622%0.216SC..SBendtrans53.628.7-177.8-63.1177.7179.7-175.82.6114Y326 D327 D330 P331 N390 L391Y326-R333 HydrophobicContact CD2-CB 4.14Å; Y326-R333 WeakPolarHBondContact CD2-O 3.46Å; Y326-R333 HydrophobicContact CE2-CB 3.8Å; Y326-R333 HydrophobicContact CE2-CG 4.18Å; D327-R333 PolarHBondContact N-O 2.62Å; D327-R333 CarbonylContact O-C 3.54Å; D327-R333 WeakPolarHBondContact O-CA 3.23Å; D330-R333 WeakPolarHBondContact O-CA 3.42Å; D330-R333 PolarHBondContact O-N 3.17Å; D330-R333 PolarHBondContact OD1-N 3.43Å; P331-R333 VanDerWaalsContact C-N 3.28Å; R333-N390 HydrophobicContact CB-CB 4.5Å; R333-L391 PolarHBondContact NH1-O 2.89Å
334L98.3Very high98Very high1 Ų142.7 Ų42.71%0.00522%0.215CC..BIsolated β-bridgetrans-123.4119.6-171.1-168.170.5000110.4D330 D332 A338 R339 I342 W377 F379 V388D330-L334 WeakPolarHBondContact CB-O 3.23Å; D330-L334 VanDerWaalsContact CG-O 3.26Å; D330-L334 PolarHBondContact OD1-N 3.47Å; D332-L334 HydrophobicContact CB-CB 4.34Å; D332-L334 PolarHBondContact O-N 2.98Å; L334-A338 HydrophobicContact CD1-CB 3.45Å; L334-A338 VanDerWaalsContact CD1-CB 3.45Å; L334-A338 HydrophobicContact CG-CB 3.78Å; L334-R339 HydrophobicContact CD2-CG 3.85Å; L334-R339 HydrophobicContact CG-CG 4.28Å; L334-I342 HydrophobicContact CD2-CD1 4.09Å; L334-W377 HydrophobicContact CD2-CH2 3.83Å; L334-W377 HydrophobicContact CD2-CZ3 3.77Å; L334-F379 HydrophobicContact CB-CE1 4.43Å; L334-F379 HydrophobicContact CD2-CE1 4Å; L334-F379 HydrophobicContact CD2-CZ 3.97Å; L334-V388 HydrophobicContact CD1-CG1 3.88Å
335S98.3Very high98Very high11 Ų1142.6 Ų42.68%0.07721%0.214CC..  trans-67.6157.3-177.376.90000112.5A324 F325 L337 A338 R339A324-S335 WeakPolarHBondContact O-CB 3.49Å; A324-S335 PolarHBondContact O-OG 3.37Å; F325-S335 PolarHBondContact O-N 3.06Å; F325-S335 PolarHBondContact O-OG 3.16Å; S335-L337 PolarHBondContact O-N 2.76Å; S335-L337 PolarHBondContact OG-N 3.43Å; S335-A338 PolarHBondContact O-N 3.36Å; S335-A338 VanDerWaalsContact O-N 3.12Å; S335-A338 PolarHBondContact OG-N 3.29Å; S335-R339 PolarHBondContact O-N 3.05Å
336T98.5Very high98Very high73 Ų7343 Ų4345%0.44822%0.216SC..Hα-helixtrans-55.8-36.4169.3-58.40000112R339 H340 Y429T336-R339 PolarHBondContact O-N 2.6Å; T336-H340 PolarHBondContact O-CD2 3.45Å; T336-H340 PolarHBondContact O-N 3.39Å; T336-Y429 VanDerWaalsContact CG2-OH 3.32Å; T336-Y429 WeakPolarHBondContact CG2-OH 3.45Å
337L98.6Very high98Very high30 Ų3046 Ų4616%0.15723%0.232CC..Hα-helixtrans-61.4-45.7176.4-175.8154.5000111.1L173 L315 Y317 A324 F325 S335 R339 H340 W341 L424L173-L337 HydrophobicContact CD1-CD1 4.15Å; L173-L337 HydrophobicContact CD2-CD1 4.32Å; L315-L337 HydrophobicContact CD1-CD2 4.26Å; Y317-L337 HydrophobicContact CE1-CD1 4.4Å; A324-L337 HydrophobicContact CB-CD1 4.23Å; A324-L337 HydrophobicContact CB-CD2 4.18Å; F325-L337 HydrophobicContact CD1-CD2 3.73Å; F325-L337 HydrophobicContact CE1-CD2 3.73Å; S335-L337 PolarHBondContact O-N 2.76Å; S335-L337 PolarHBondContact OG-N 3.43Å; L337-R339 VanDerWaalsContact C-N 3.34Å; L337-R339 PolarHBondContact O-N 3.28Å; L337-H340 PolarHBondContact O-N 3.25Å; L337-W341 WeakPolarHBondContact O-CB 3.21Å; L337-W341 PolarHBondContact O-N 2.82Å; L337-L424 HydrophobicContact CD2-CD2 4.31Å; L337-L424 HydrophobicContact CG-CD2 3.83Å; L337-L424 WeakPolarHBondContact O-CD2 3.41Å
338A98.7Very high98Very high0 Ų043.7 Ų43.70%022%0.22CC..Hα-helixtrans-62.4-41.2175.600000112.1F325 L334 S335 W341 I342F325-A338 HydrophobicContact CB-CB 3.84Å; F325-A338 HydrophobicContact CD1-CB 3.67Å; F325-A338 HydrophobicContact CE1-CB 4.41Å; F325-A338 HydrophobicContact CG-CB 3.9Å; L334-A338 HydrophobicContact CD1-CB 3.45Å; L334-A338 VanDerWaalsContact CD1-CB 3.45Å; L334-A338 HydrophobicContact CG-CB 3.78Å; S335-A338 PolarHBondContact O-N 3.36Å; S335-A338 VanDerWaalsContact O-N 3.12Å; S335-A338 PolarHBondContact OG-N 3.29Å; A338-W341 WeakPolarHBondContact O-CB 3.32Å; A338-W341 PolarHBondContact O-N 3.22Å; A338-I342 WeakPolarHBondContact O-CD1 3.31Å; A338-I342 VanDerWaalsContact O-CG1 3.22Å; A338-I342 WeakPolarHBondContact O-CG1 3.33Å; A338-I342 PolarHBondContact O-N 2.91Å
339R98.7Very high98Very high39 Ų3938.9 Ų38.915%0.14719%0.194CC..Hα-helixtrans-59.6-49.8176.5-65.9178.7-171.8-85.85.1110.2D330 D332 L334 S335 T336 L337 W341 I342 G343 Y429 P430D330-R339 IonicContact OD1-NH2 3.41Å; D330-R339 PolarHBondContact OD1-NH2 3.14Å; D330-R339 IonicContact OD2-NH2 3.72Å; D330-R339 PolarHBondContact OD2-NH2 2.84Å; D332-R339 IonicContact OD2-CZ 2.66Å; D332-R339 IonicContact OD2-NH1 3.92Å; D332-R339 IonicContact OD2-NH2 2.67Å; D332-R339 PolarHBondContact OD2-NH2 3.47Å; L334-R339 HydrophobicContact CD2-CG 3.85Å; L334-R339 HydrophobicContact CG-CG 4.28Å; S335-R339 PolarHBondContact O-N 3.05Å; T336-R339 PolarHBondContact O-N 2.6Å; L337-R339 VanDerWaalsContact C-N 3.34Å; L337-R339 PolarHBondContact O-N 3.28Å; R339-W341 VanDerWaalsContact C-N 3.32Å; R339-W341 PolarHBondContact O-N 2.67Å; R339-I342 PolarHBondContact O-N 3.31Å; R339-G343 PolarHBondContact O-N 3.31Å; R339-Y429 HydrophobicContact CB-CD1 4.33Å; R339-Y429 HydrophobicContact CB-CE1 4.26Å; R339-P430 HydrophobicContact CB-CG 4.37Å; R339-P430 VanDerWaalsContact O-CD 3.25Å; R339-P430 WeakPolarHBondContact O-CD 3.44Å
340H98.9Very high98Very high19 Ų1931.7 Ų31.79%0.08817%0.166CC..Hα-helixtrans-58.2-43.4176.1-74.1-163000112.7T336 L337 I342 G343 G344 G423 L424 Q427 I428 Y429T336-H340 PolarHBondContact O-CD2 3.45Å; T336-H340 PolarHBondContact O-N 3.39Å; L337-H340 PolarHBondContact O-N 3.25Å; H340-I342 PolarHBondContact O-N 3.22Å; H340-G343 PolarHBondContact O-N 3.26Å; H340-G344 PolarHBondContact O-N 3.19Å; H340-G423 CarbonylContact O-C 3.56Å; H340-G423 VanDerWaalsContact O-CA 3.23Å; H340-G423 WeakPolarHBondContact O-CA 3Å; H340-L424 HydrophobicContact CB-CD2 3.75Å; H340-Q427 VanDerWaalsContact CE1-CA 3.46Å; H340-Q427 WeakPolarHBondContact CE1-CA 3.46Å; H340-Q427 WeakPolarHBondContact CE1-CB 3.46Å; H340-Q427 WeakPolarHBondContact ND1-CA 3.46Å; H340-I428 VanDerWaalsContact CA-O 3.29Å; H340-I428 WeakPolarHBondContact CA-O 3.47Å; H340-Y429 AromaticContact CD2-CD2 3.91Å; H340-Y429 AromaticContact CD2-CE2 3.68Å; H340-Y429 AromaticContact NE2-CD2 3.64Å; H340-Y429 AromaticContact NE2-CE2 3.06Å; H340-Y429 WeakPolarHBondContact NE2-CE2 3.19Å; H340-Y429 AromaticContact NE2-CZ 3.6Å
341W98.9Very high98.1Very high0 Ų029.9 Ų29.90%016%0.156CC..Hα-helixtrans-59.6-45.7176.5-171.5-88.2000112.4L167 H313 L315 F325 L337 A338 R339 G344 I345 T416 I417 G420 L421 L424L167-W341 HydrophobicContact CD1-CH2 4.23Å; L167-W341 HydrophobicContact CD1-CZ3 4.14Å; H313-W341 AromaticContact CD2-NE1 3.71Å; H313-W341 AromaticContact NE2-CD1 3.86Å; H313-W341 AromaticContact NE2-NE1 3.16Å; H313-W341 PolarHBondContact NE2-NE1 3.5Å; H313-W341 VanDerWaalsContact NE2-NE1 3.16Å; L315-W341 HydrophobicContact CD1-CD2 3.78Å; L315-W341 HydrophobicContact CD1-CE3 3.47Å; L315-W341 VanDerWaalsContact CD1-CE3 3.47Å; L315-W341 HydrophobicContact CD1-CH2 3.78Å; L315-W341 HydrophobicContact CD1-CZ2 4.08Å; L315-W341 HydrophobicContact CD1-CZ3 3.48Å; L315-W341 VanDerWaalsContact CD1-CZ3 3.48Å; L315-W341 HydrophobicContact CD2-CH2 4.39Å; F325-W341 HydrophobicContact CE1-CB 4.02Å; F325-W341 HydrophobicContact CE1-CD2 4.3Å; F325-W341 AromaticContact CE1-CG 3.88Å; F325-W341 HydrophobicContact CE1-CG 3.88Å; F325-W341 HydrophobicContact CZ-CB 4.34Å; F325-W341 AromaticContact CZ-CD1 3.62Å; F325-W341 HydrophobicContact CZ-CD2 4.14Å; F325-W341 AromaticContact CZ-CG 3.77Å; F325-W341 HydrophobicContact CZ-CG 3.77Å; F325-W341 AromaticContact CZ-NE1 3.87Å; L337-W341 WeakPolarHBondContact O-CB 3.21Å; L337-W341 PolarHBondContact O-N 2.82Å; A338-W341 WeakPolarHBondContact O-CB 3.32Å; A338-W341 PolarHBondContact O-N 3.22Å; R339-W341 VanDerWaalsContact C-N 3.32Å; R339-W341 PolarHBondContact O-N 2.67Å; W341-G344 PolarHBondContact O-N 2.77Å; W341-I345 WeakPolarHBondContact O-CG1 3.47Å; W341-I345 PolarHBondContact O-N 3.02Å; W341-T416 HydrophobicContact CZ2-CG2 4.46Å; W341-I417 HydrophobicContact CH2-CB 4.43Å; W341-I417 HydrophobicContact CH2-CG2 4.35Å; W341-G420 VanDerWaalsContact CD2-CA 3.42Å; W341-G420 VanDerWaalsContact CZ3-C 3.42Å; W341-L421 HydrophobicContact CZ3-CD2 4.28Å; W341-L421 HydrophobicContact CZ3-CG 4.42Å; W341-L424 HydrophobicContact CE3-CD1 3.94Å; W341-L424 HydrophobicContact CE3-CD2 4.47Å; W341-L424 HydrophobicContact CE3-CG 4.04Å; W341-L424 HydrophobicContact CZ3-CD1 4.16Å
342I98.7Very high98.2Very high0 Ų024.1 Ų24.10%012%0.118CC..Hα-helixtrans-63.9-43.5176.2-65.6160.6000110.3L334 A338 R339 H340 G344 I345 L346 W377 I386 V388 I398 P430L334-I342 HydrophobicContact CD2-CD1 4.09Å; A338-I342 WeakPolarHBondContact O-CD1 3.31Å; A338-I342 VanDerWaalsContact O-CG1 3.22Å; A338-I342 WeakPolarHBondContact O-CG1 3.33Å; A338-I342 PolarHBondContact O-N 2.91Å; R339-I342 PolarHBondContact O-N 3.31Å; H340-I342 PolarHBondContact O-N 3.22Å; I342-G344 VanDerWaalsContact C-N 3.31Å; I342-G344 PolarHBondContact O-N 2.96Å; I342-I345 PolarHBondContact O-N 3.28Å; I342-L346 HydrophobicContact CG2-CD1 3.89Å; I342-L346 HydrophobicContact CG2-CG 4.13Å; I342-L346 VanDerWaalsContact O-CG 3.31Å; I342-L346 WeakPolarHBondContact O-CG 3.23Å; I342-L346 PolarHBondContact O-N 3.32Å; I342-W377 HydrophobicContact CD1-CE3 3.83Å; I342-W377 HydrophobicContact CD1-CZ3 3.81Å; I342-W377 HydrophobicContact CG2-CB 4Å; I342-W377 HydrophobicContact CG2-CD2 3.81Å; I342-W377 HydrophobicContact CG2-CE3 4.13Å; I342-W377 HydrophobicContact CG2-CG 3.76Å; I342-I386 HydrophobicContact CG2-CG2 4.44Å; I342-V388 HydrophobicContact CD1-CG2 3.65Å; I342-I398 HydrophobicContact CD1-CD1 4.08Å; I342-I398 HydrophobicContact CG1-CD1 3.54Å; I342-I398 HydrophobicContact CG1-CG1 4.36Å; I342-P430 HydrophobicContact CB-CB 4.39Å; I342-P430 HydrophobicContact CB-CG 4.37Å; I342-P430 HydrophobicContact CG2-CB 3.86Å; I342-P430 HydrophobicContact CG2-CG 4.23Å
343G98.5Very high98.3Very high2 Ų221 Ų212%0.02110%0.102CC..Hα-helixtrans-57.4-43.9177.400000112.5R339 H340 L346 E347 I428R339-G343 PolarHBondContact O-N 3.31Å; H340-G343 PolarHBondContact O-N 3.26Å; G343-L346 PolarHBondContact O-N 2.99Å; G343-E347 WeakPolarHBondContact O-CB 3.22Å; G343-E347 PolarHBondContact O-N 2.71Å; G343-I428 WeakPolarHBondContact CA-O 3.29Å
344G98.7Very high98.3Very high0 Ų015.2 Ų15.20%08%0.08CC..Hα-helixtrans-61.4-47.417300000113.2H340 W341 I342 L346 E347 H348 A419H340-G344 PolarHBondContact O-N 3.19Å; W341-G344 PolarHBondContact O-N 2.77Å; I342-G344 VanDerWaalsContact C-N 3.31Å; I342-G344 PolarHBondContact O-N 2.96Å; G344-L346 VanDerWaalsContact C-N 3.33Å; G344-L346 PolarHBondContact O-N 2.8Å; G344-E347 PolarHBondContact O-N 3.29Å; G344-H348 PolarHBondContact O-CD2 2.75Å; G344-H348 PolarHBondContact O-N 3Å; G344-H348 VanDerWaalsContact O-N 3.16Å; G344-A419 CarbonylContact C-O 3.38Å; G344-A419 VanDerWaalsContact CA-O 3.27Å; G344-A419 WeakPolarHBondContact CA-O 3.46Å
345I98.7Very high98.3Very high0 Ų015.2 Ų15.20%08%0.08CC..Hα-helixtrans-57.8-45.4176.1-69.6172.3000111.5W341 I342 H348 L349 M352 I386 T416 A419W341-I345 WeakPolarHBondContact O-CG1 3.47Å; W341-I345 PolarHBondContact O-N 3.02Å; I342-I345 PolarHBondContact O-N 3.28Å; I345-H348 PolarHBondContact O-N 2.87Å; I345-L349 HydrophobicContact CG2-CD1 4.01Å; I345-L349 WeakPolarHBondContact O-CA 3.49Å; I345-L349 WeakPolarHBondContact O-CB 3.18Å; I345-L349 PolarHBondContact O-N 2.71Å; I345-M352 HydrophobicContact CG2-SD 4.29Å; I345-I386 HydrophobicContact CG2-CD1 3.57Å; I345-I386 HydrophobicContact CG2-CG1 3.88Å; I345-T416 HydrophobicContact CD1-CG2 3.99Å; I345-A419 HydrophobicContact CG1-CB 4.31Å
346L98Very high98.3Very high8 Ų814.7 Ų14.74%0.0428%0.076CC..Hα-helixtrans-66.3-41.2-178.7-67.6179000112.3I342 G343 G344 H348 L349 V375 N376 W377 I386 P430 P431I342-L346 HydrophobicContact CG2-CD1 3.89Å; I342-L346 HydrophobicContact CG2-CG 4.13Å; I342-L346 VanDerWaalsContact O-CG 3.31Å; I342-L346 WeakPolarHBondContact O-CG 3.23Å; I342-L346 PolarHBondContact O-N 3.32Å; G343-L346 PolarHBondContact O-N 2.99Å; G344-L346 VanDerWaalsContact C-N 3.33Å; G344-L346 PolarHBondContact O-N 2.8Å; L346-H348 VanDerWaalsContact C-N 3.28Å; L346-H348 PolarHBondContact O-N 3.08Å; L346-L349 HydrophobicContact CD2-CD2 4.28Å; L346-L349 WeakPolarHBondContact O-CB 3.37Å; L346-L349 PolarHBondContact O-N 3.3Å; L346-V375 HydrophobicContact CB-CG1 3.8Å; L346-V375 HydrophobicContact CD2-CG1 3.92Å; L346-V375 HydrophobicContact CG-CG1 4.4Å; L346-V375 WeakPolarHBondContact O-CG1 3.47Å; L346-N376 WeakPolarHBondContact CD2-O 3.47Å; L346-W377 HydrophobicContact CD1-CB 4.15Å; L346-W377 HydrophobicContact CD1-CG 3.99Å; L346-W377 HydrophobicContact CD2-CB 4.41Å; L346-I386 HydrophobicContact CD2-CB 4.38Å; L346-I386 HydrophobicContact CD2-CG1 3.77Å; L346-P430 HydrophobicContact CD1-CB 3.86Å; L346-P431 HydrophobicContact CD1-CG 4.36Å
347E98Very high98.2Very high102 Ų10211.2 Ų11.248%0.4776%0.055SC..Hα-helixtrans-57.8-42.3176.7179.969.5174.400111.7G343 G344 R426 I428G343-E347 WeakPolarHBondContact O-CB 3.22Å; G343-E347 PolarHBondContact O-N 2.71Å; G344-E347 PolarHBondContact O-N 3.29Å; E347-R426 IonicContact OE1-NH1 3.58Å; E347-R426 IonicContact OE1-NH2 3.46Å; E347-I428 HydrophobicContact CB-CD1 4.37Å; E347-I428 HydrophobicContact CG-CD1 4.33Å
348H98.4Very high98.1Very high3 Ų310 Ų101%0.0145%0.049CC..Hα-helixtrans-92.3-2.9-177.1-63.1-58.3000114G344 I345 L346 P350 A351 M352 A419 D422 D462 L465G344-H348 PolarHBondContact O-CD2 2.75Å; G344-H348 PolarHBondContact O-N 3Å; G344-H348 VanDerWaalsContact O-N 3.16Å; I345-H348 PolarHBondContact O-N 2.87Å; L346-H348 VanDerWaalsContact C-N 3.28Å; L346-H348 PolarHBondContact O-N 3.08Å; H348-P350 VanDerWaalsContact C-CD 3.5Å; H348-A351 WeakPolarHBondContact O-CB 3.36Å; H348-A351 PolarHBondContact O-N 2.84Å; H348-M352 HydrophobicContact CB-CG 4.22Å; H348-M352 HydrophobicContact CB-SD 4.29Å; H348-M352 WeakPolarHBondContact O-CG 3.45Å; H348-M352 PolarHBondContact O-N 2.86Å; H348-A419 HydrophobicContact CB-CB 3.77Å; H348-D422 IonicContact CD2-OD2 3.24Å; H348-D422 IonicContact CE1-OD2 3.29Å; H348-D422 WeakPolarHBondContact NE2-CB 3.43Å; H348-D422 IonicContact NE2-OD2 3Å; H348-D422 PolarHBondContact NE2-OD2 3.36Å; H348-D462 IonicContact CE1-OD1 3.81Å; H348-D462 PolarHBondContact CE1-OD1 3.33Å; H348-D462 IonicContact CE1-OD2 3.96Å; H348-D462 IonicContact CG-OD2 2.91Å; H348-D462 VanDerWaalsContact ND1-CG 3.29Å; H348-D462 IonicContact ND1-OD1 3.85Å; H348-D462 PolarHBondContact ND1-OD1 3.45Å; H348-D462 VanDerWaalsContact ND1-OD1 3.16Å; H348-D462 IonicContact ND1-OD2 3.79Å; H348-D462 PolarHBondContact ND1-OD2 2.7Å; H348-L465 HydrophobicContact CB-CD1 4.38Å; H348-L465 HydrophobicContact CB-CD2 4.35Å
349L97.6Very high98Very high0 Ų010 Ų100%05%0.049CC..Hα-helixtrans-57.3-41.3-169.8-15763.7000114.3I345 L346 A351 M352 L353 V375 I386 I402 L448I345-L349 HydrophobicContact CG2-CD1 4.01Å; I345-L349 WeakPolarHBondContact O-CA 3.49Å; I345-L349 WeakPolarHBondContact O-CB 3.18Å; I345-L349 PolarHBondContact O-N 2.71Å; L346-L349 HydrophobicContact CD2-CD2 4.28Å; L346-L349 WeakPolarHBondContact O-CB 3.37Å; L346-L349 PolarHBondContact O-N 3.3Å; L349-A351 VanDerWaalsContact C-N 3.28Å; L349-A351 PolarHBondContact O-N 2.91Å; L349-M352 HydrophobicContact CD1-SD 4.47Å; L349-M352 PolarHBondContact O-N 2.89Å; L349-L353 PolarHBondContact O-N 3.11Å; L349-V375 HydrophobicContact CB-CG1 4.44Å; L349-V375 HydrophobicContact CB-CG2 4.27Å; L349-V375 HydrophobicContact CD2-CG1 4.38Å; L349-V375 HydrophobicContact CD2-CG2 4.38Å; L349-I386 HydrophobicContact CD1-CD1 4.17Å; L349-I402 HydrophobicContact CD1-CG1 3.95Å; L349-I402 HydrophobicContact CD2-CD1 4.21Å; L349-I402 HydrophobicContact CD2-CG1 4.39Å; L349-I402 HydrophobicContact CG-CD1 4.43Å; L349-I402 HydrophobicContact CG-CG1 4.35Å; L349-L448 HydrophobicContact CB-CD2 4.5Å; L349-L448 HydrophobicContact CD2-CD2 4.09Å; L349-L448 HydrophobicContact CG-CD2 4.07Å
350P97.2Very high97.8Very high29 Ų298.4 Ų8.419%0.1884%0.043CC..Hα-helixtrans-59.2-38175.3-25.636.7000113.2H348 L353 V375 P449H348-P350 VanDerWaalsContact C-CD 3.5Å; P350-L353 WeakPolarHBondContact O-CB 3.22Å; P350-V375 HydrophobicContact CG-CG2 4.02Å; P350-P449 HydrophobicContact CB-CG 4.07Å
351A98.1Very high97.7Very high2 Ų27.5 Ų7.52%0.0174%0.039CC..Hα-helixtrans-74.1-43.6176.600000111.9H348 L349 L353 A354 L459 D462 L465H348-A351 WeakPolarHBondContact O-CB 3.36Å; H348-A351 PolarHBondContact O-N 2.84Å; L349-A351 VanDerWaalsContact C-N 3.28Å; L349-A351 PolarHBondContact O-N 2.91Å; A351-L353 PolarHBondContact O-N 3.23Å; A351-L353 VanDerWaalsContact O-N 3.15Å; A351-A354 WeakPolarHBondContact O-CB 3.21Å; A351-A354 PolarHBondContact O-N 2.89Å; A351-A354 VanDerWaalsContact O-N 3.11Å; A351-L459 HydrophobicContact CB-CB 4.37Å; A351-L459 HydrophobicContact CB-CD1 4.4Å; A351-D462 HydrophobicContact CB-CB 3.72Å; A351-D462 WeakPolarHBondContact CB-OD2 3.46Å; A351-L465 HydrophobicContact CB-CD2 3.64Å
352M98.3Very high97.5Very high0 Ų07.5 Ų7.50%04%0.039CC..Hα-helixtrans-59.4-24.9176-68.9179.965.200112.8I345 H348 L349 A354 I355 S356 A415 A419 L465I345-M352 HydrophobicContact CG2-SD 4.29Å; H348-M352 HydrophobicContact CB-CG 4.22Å; H348-M352 HydrophobicContact CB-SD 4.29Å; H348-M352 WeakPolarHBondContact O-CG 3.45Å; H348-M352 PolarHBondContact O-N 2.86Å; L349-M352 HydrophobicContact CD1-SD 4.47Å; L349-M352 PolarHBondContact O-N 2.89Å; M352-A354 VanDerWaalsContact C-N 3.27Å; M352-A354 PolarHBondContact O-N 2.95Å; M352-I355 PolarHBondContact O-N 2.92Å; M352-I355 VanDerWaalsContact O-N 3.12Å; M352-S356 WeakPolarHBondContact O-CB 3.31Å; M352-S356 PolarHBondContact O-N 3.14Å; M352-S356 PolarHBondContact O-OG 2.59Å; M352-S356 VanDerWaalsContact O-OG 3.07Å; M352-A415 HydrophobicContact CE-CB 4.13Å; M352-A415 HydrophobicContact CG-CB 4.27Å; M352-A419 HydrophobicContact SD-CB 3.56Å; M352-A419 VanDerWaalsContact SD-CB 3.56Å; M352-L465 HydrophobicContact CG-CD2 4.04Å
353L97.4Very high97.3Very high0 Ų07.8 Ų7.80%04%0.04CC..Hα-helixtrans-61.1-36.4177.2-15871.5000111.9L349 P350 A351 I355 S356 C357 Y363 L366 I402 L448 P449 A455L349-L353 PolarHBondContact O-N 3.11Å; P350-L353 WeakPolarHBondContact O-CB 3.22Å; A351-L353 PolarHBondContact O-N 3.23Å; A351-L353 VanDerWaalsContact O-N 3.15Å; L353-I355 PolarHBondContact O-N 3.26Å; L353-S356 PolarHBondContact O-N 3.28Å; L353-C357 HydrophobicContact CG-CB 4.4Å; L353-C357 WeakPolarHBondContact O-CA 3.4Å; L353-C357 VanDerWaalsContact O-CB 3.28Å; L353-C357 WeakPolarHBondContact O-CB 3.32Å; L353-C357 PolarHBondContact O-N 3.47Å; L353-Y363 HydrophobicContact CD2-CE1 3.8Å; L353-Y363 HydrophobicContact CG-CE1 4.21Å; L353-Y363 PolarHBondContact O-OH 3.13Å; L353-L366 HydrophobicContact CD1-CD1 3.8Å; L353-L366 HydrophobicContact CD1-CD2 4.38Å; L353-L366 HydrophobicContact CD2-CD1 3.61Å; L353-L366 HydrophobicContact CG-CD1 3.99Å; L353-I402 HydrophobicContact CD1-CB 4.12Å; L353-I402 HydrophobicContact CD1-CD1 4.23Å; L353-I402 HydrophobicContact CD1-CG2 4.18Å; L353-L448 HydrophobicContact CD2-CB 4.16Å; L353-P449 HydrophobicContact CD2-CB 3.93Å; L353-P449 HydrophobicContact CD2-CG 4.03Å; L353-P449 WeakPolarHBondContact CD2-O 3.01Å; L353-A455 HydrophobicContact CB-CB 4.34Å
354A97.8Very high97.1Very high0 Ų08.1 Ų8.10%04%0.041CC..Hα-helixtrans-61.6-29.8177.200000112.4A351 M352 A455 L456 L459 Y477A351-A354 WeakPolarHBondContact O-CB 3.21Å; A351-A354 PolarHBondContact O-N 2.89Å; A351-A354 VanDerWaalsContact O-N 3.11Å; M352-A354 VanDerWaalsContact C-N 3.27Å; M352-A354 PolarHBondContact O-N 2.95Å; A354-A455 HydrophobicContact CB-CB 3.81Å; A354-L456 HydrophobicContact CB-CD2 4.22Å; A354-L459 HydrophobicContact CB-CB 4.08Å; A354-L459 HydrophobicContact CB-CD2 4.08Å; A354-Y477 PolarHBondContact O-OH 2.82Å
355I98.1Very high96.8Very high1 Ų18.7 Ų8.71%0.0054%0.043CC..Hα-helixtrans-87.8-43.6-177.9-68.2169.1000111M352 L353 H411 A415 L459 L469 Y477M352-I355 PolarHBondContact O-N 2.92Å; M352-I355 VanDerWaalsContact O-N 3.12Å; L353-I355 PolarHBondContact O-N 3.26Å; I355-H411 HydrophobicContact CG2-CB 3.37Å; I355-A415 HydrophobicContact CD1-CB 3.98Å; I355-A415 HydrophobicContact CG2-CB 4.14Å; I355-L459 HydrophobicContact CD1-CD1 4.15Å; I355-L459 HydrophobicContact CG1-CD2 4.31Å; I355-L469 HydrophobicContact CD1-CD1 3.42Å; I355-L469 VanDerWaalsContact CD1-CD1 3.42Å; I355-Y477 HydrophobicContact CG1-CE1 4.47Å
356S97.9Very high96.4Very high0 Ų09 Ų90%05%0.045CC..Hα-helixtrans-81.8-22.6-174.9-59.80000113M352 L353 I402 P403 S404 S407M352-S356 WeakPolarHBondContact O-CB 3.31Å; M352-S356 PolarHBondContact O-N 3.14Å; M352-S356 PolarHBondContact O-OG 2.59Å; M352-S356 VanDerWaalsContact O-OG 3.07Å; L353-S356 PolarHBondContact O-N 3.28Å; S356-I402 VanDerWaalsContact CB-CG2 3.42Å; S356-P403 WeakPolarHBondContact O-CA 3.29Å; S356-S404 PolarHBondContact O-N 2.88Å; S356-S404 PolarHBondContact O-OG 2.84Å; S356-S407 WeakPolarHBondContact O-CB 3.39Å
357C97.1Very high95.8Very high0 Ų011.6 Ų11.60%06%0.057CC..SBendtrans-123.569.2175.1-71.50000109.2L353 T359 C362 Y363 I402L353-C357 HydrophobicContact CG-CB 4.4Å; L353-C357 WeakPolarHBondContact O-CA 3.4Å; L353-C357 VanDerWaalsContact O-CB 3.28Å; L353-C357 WeakPolarHBondContact O-CB 3.32Å; L353-C357 PolarHBondContact O-N 3.47Å; C357-T359 VanDerWaalsContact C-N 3.27Å; C357-T359 PolarHBondContact O-N 3.2Å; C357-T359 VanDerWaalsContact O-N 3.16Å; C357-C362 HydrophobicContact CB-CB 3.49Å; C357-C362 VanDerWaalsContact CB-CB 3.49Å; C357-Y363 HydrophobicContact CB-CE2 4.23Å; C357-Y363 WeakPolarHBondContact O-CE2 3.15Å; C357-Y363 PolarHBondContact O-OH 2.83Å; C357-I402 PolarHBondContact SG-O 3.33Å
358P96.8Very high95.1Very high4 Ų410.9 Ų10.93%0.0265%0.052CC..  trans-78.9-1.2-160.535.7-42.3000115.3A406 I452 Y477 K481P358-A406 HydrophobicContact CG-CB 4.43Å; P358-A406 WeakPolarHBondContact CG-O 3.15Å; P358-I452 VanDerWaalsContact O-CD1 3.23Å; P358-I452 WeakPolarHBondContact O-CD1 3.2Å; P358-Y477 WeakPolarHBondContact CB-OH 3.44Å; P358-K481 WeakPolarHBondContact O-CE 3.33Å; P358-K481 PolarHBondContact O-NZ 3.24Å; P358-K481 VanDerWaalsContact O-NZ 3.1Å
359T96.2Very high93.8Very high1 Ų117.8 Ų17.81%0.0068%0.084CC..SBendtrans-121.3157.4-176.674.90000111.4C357 N361 C362 Y363 A406 Y509 M513C357-T359 VanDerWaalsContact C-N 3.27Å; C357-T359 PolarHBondContact O-N 3.2Å; C357-T359 VanDerWaalsContact O-N 3.16Å; T359-N361 PolarHBondContact O-N 3.11Å; T359-N361 PolarHBondContact OG1-N 3.4Å; T359-C362 WeakPolarHBondContact O-CB 3.2Å; T359-C362 PolarHBondContact O-N 3.32Å; T359-C362 PolarHBondContact OG1-N 2.65Å; T359-C362 PolarHBondContact OG1-SG 2.92Å; T359-Y363 VanDerWaalsContact O-CD2 3.22Å; T359-Y363 WeakPolarHBondContact O-CD2 3.4Å; T359-Y363 WeakPolarHBondContact O-CE2 2.98Å; T359-A406 HydrophobicContact CG2-CB 4.13Å; T359-Y509 HydrophobicContact CG2-CD1 3.74Å; T359-Y509 HydrophobicContact CG2-CE1 3.64Å; T359-Y509 HydrophobicContact CG2-CG 4.23Å; T359-M513 HydrophobicContact CG2-CE 3.78Å; T359-M513 HydrophobicContact CG2-CG 4.38Å; T359-M513 HydrophobicContact CG2-SD 4.46Å
360V95.7Very high92.9Very high5 Ų521.3 Ų21.33%0.0310%0.103CC..G310 helixtrans-53-41171.4174.70000110.9C362 Y363 I452 L486 L489 I494 Y509V360-C362 VanDerWaalsContact C-N 3.29Å; V360-C362 PolarHBondContact O-N 3.07Å; V360-Y363 PolarHBondContact O-N 3.49Å; V360-I452 HydrophobicContact CG2-CG2 3.87Å; V360-L486 HydrophobicContact CG2-CD2 4.17Å; V360-L489 HydrophobicContact CB-CB 4.46Å; V360-L489 HydrophobicContact CB-CD1 4.31Å; V360-L489 HydrophobicContact CG2-CB 3.95Å; V360-L489 HydrophobicContact CG2-CD1 4.35Å; V360-I494 HydrophobicContact CG1-CG2 3.53Å; V360-Y509 HydrophobicContact CB-CE2 4.36Å; V360-Y509 PolarHBondContact N-OH 2.99Å
361N95.3Very high92.1Very high0 Ų020.6 Ų20.60%010%0.099CC..G310 helixtrans-64.5-28.3-179.9-177.3-105.2000113.9M297 T298 T299 T359 Y363 R364 E505 Y509M297-N361 HydrophobicContact CE-CB 4.02Å; M297-N361 WeakPolarHBondContact CE-ND2 3.25Å; M297-N361 VanDerWaalsContact CG-OD1 3.3Å; M297-N361 WeakPolarHBondContact CG-OD1 3.12Å; T298-N361 PolarHBondContact N-OD1 3.33Å; T299-N361 PolarHBondContact N-OD1 3.22Å; T299-N361 PolarHBondContact O-ND2 2.95Å; T359-N361 PolarHBondContact O-N 3.11Å; T359-N361 PolarHBondContact OG1-N 3.4Å; N361-Y363 PolarHBondContact O-N 2.89Å; N361-R364 WeakPolarHBondContact O-CB 3.49Å; N361-R364 PolarHBondContact O-N 3.46Å; N361-R364 VanDerWaalsContact O-N 3.1Å; N361-E505 VanDerWaalsContact CA-OE2 3.26Å; N361-E505 WeakPolarHBondContact CA-OE2 3.31Å; N361-E505 HydrophobicContact CB-CB 4.41Å; N361-E505 VanDerWaalsContact CB-OE2 3.27Å; N361-E505 WeakPolarHBondContact CB-OE2 3.43Å; N361-E505 PolarHBondContact ND2-OE2 3.35Å; N361-Y509 HydrophobicContact CB-CD2 3.89Å; N361-Y509 HydrophobicContact CB-CE2 4.15Å
362C95.6Very high91.6Very high0 Ų020.5 Ų20.50%010%0.098CC..G310 helixtrans-59.9-32.6179-66.70000112.8T298 C357 T359 V360 R364 R365 S404T298-C362 PolarHBondContact OG1-SG 2.96Å; C357-C362 HydrophobicContact CB-CB 3.49Å; C357-C362 VanDerWaalsContact CB-CB 3.49Å; T359-C362 WeakPolarHBondContact O-CB 3.2Å; T359-C362 PolarHBondContact O-N 3.32Å; T359-C362 PolarHBondContact OG1-N 2.65Å; T359-C362 PolarHBondContact OG1-SG 2.92Å; V360-C362 VanDerWaalsContact C-N 3.29Å; V360-C362 PolarHBondContact O-N 3.07Å; C362-R364 PolarHBondContact O-N 2.75Å; C362-R365 WeakPolarHBondContact O-CB 3.44Å; C362-R365 PolarHBondContact O-N 3.22Å; C362-R365 VanDerWaalsContact O-N 3.1Å; C362-S404 PolarHBondContact SG-OG 2.8Å
363Y94.6Very high91.2Very high6 Ų622.2 Ų22.22%0.02411%0.11CC..G310 helixtrans-74.8-11.4-177.6-64.6-92.5000112.8L353 C357 T359 V360 N361 R365 L366 N450 T451 I452 A455 I494L353-Y363 HydrophobicContact CD2-CE1 3.8Å; L353-Y363 HydrophobicContact CG-CE1 4.21Å; L353-Y363 PolarHBondContact O-OH 3.13Å; C357-Y363 HydrophobicContact CB-CE2 4.23Å; C357-Y363 WeakPolarHBondContact O-CE2 3.15Å; C357-Y363 PolarHBondContact O-OH 2.83Å; T359-Y363 VanDerWaalsContact O-CD2 3.22Å; T359-Y363 WeakPolarHBondContact O-CD2 3.4Å; T359-Y363 WeakPolarHBondContact O-CE2 2.98Å; V360-Y363 PolarHBondContact O-N 3.49Å; N361-Y363 PolarHBondContact O-N 2.89Å; Y363-R365 PolarHBondContact O-N 2.89Å; Y363-L366 HydrophobicContact CD1-CD1 3.81Å; Y363-L366 HydrophobicContact CE1-CD1 4.12Å; Y363-N450 WeakPolarHBondContact CB-O 3.49Å; Y363-T451 VanDerWaalsContact CD1-C 3.47Å; Y363-T451 WeakPolarHBondContact CE1-O 3.48Å; Y363-I452 HydrophobicContact CD2-CB 3.9Å; Y363-I452 HydrophobicContact CE2-CB 3.32Å; Y363-I452 HydrophobicContact CE2-CG1 3.83Å; Y363-A455 HydrophobicContact CE1-CB 4.05Å; Y363-A455 WeakPolarHBondContact OH-CB 3.23Å; Y363-I494 VanDerWaalsContact CB-CD1 3.49Å
364R93.2Very high91Very high9 Ų922.3 Ų22.33%0.03411%0.111CC..G310 helixtrans-69.5-19167.5-64.3-175.1174.2-82.1-1.6113.1T299 N361 C362 K368 I494 N497 T501 E505T299-R364 HydrophobicContact CG2-CB 4.21Å; N361-R364 WeakPolarHBondContact O-CB 3.49Å; N361-R364 PolarHBondContact O-N 3.46Å; N361-R364 VanDerWaalsContact O-N 3.1Å; C362-R364 PolarHBondContact O-N 2.75Å; R364-K368 WeakPolarHBondContact O-CD 3.01Å; R364-K368 WeakPolarHBondContact O-CE 3.41Å; R364-K368 PolarHBondContact O-NZ 3.22Å; R364-I494 HydrophobicContact CG-CB 4.13Å; R364-I494 HydrophobicContact CG-CG2 4.44Å; R364-I494 PolarHBondContact NH1-O 3.07Å; R364-N497 PolarHBondContact NH1-OD1 3.44Å; R364-T501 PolarHBondContact NH2-OG1 2.85Å; R364-E505 WeakPolarHBondContact CD-OE2 3.41Å; R364-E505 IonicContact CZ-OE1 3.14Å; R364-E505 IonicContact CZ-OE2 3Å; R364-E505 IonicContact NE-OE1 3.59Å; R364-E505 PolarHBondContact NE-OE1 2.85Å; R364-E505 IonicContact NE-OE2 2.99Å; R364-E505 PolarHBondContact NE-OE2 3.46Å; R364-E505 IonicContact NH2-OE1 2.64Å; R364-E505 PolarHBondContact NH2-OE1 3.31Å
365R92.7Very high90.9Very high13 Ų1323.1 Ų23.15%0.04912%0.115CC..THydrogen-bonded Turntrans-83-40.9177.2177.9174.576.193.27.9112.3T298 S306 C362 Y363 K368 A371 R401 I402T298-R365 HydrophobicContact CG2-CB 3.64Å; T298-R365 HydrophobicContact CG2-CG 4.32Å; S306-R365 VanDerWaalsContact CB-CG 3.41Å; C362-R365 WeakPolarHBondContact O-CB 3.44Å; C362-R365 PolarHBondContact O-N 3.22Å; C362-R365 VanDerWaalsContact O-N 3.1Å; Y363-R365 PolarHBondContact O-N 2.89Å; R365-K368 WeakPolarHBondContact O-CB 3.35Å; R365-A371 HydrophobicContact CG-CB 4Å; R365-A371 WeakPolarHBondContact O-CB 3.41Å; R365-R401 PolarHBondContact NH1-O 3.25Å; R365-I402 PolarHBondContact NH2-O 3.47Å
366L89.9Confident90.8Very high6 Ų623.3 Ų23.33%0.03112%0.117CC..THydrogen-bonded Turntrans-64.6154.7-172.7-58.5178.4000111L353 Y363 K368L353-L366 HydrophobicContact CD1-CD1 3.8Å; L353-L366 HydrophobicContact CD1-CD2 4.38Å; L353-L366 HydrophobicContact CD2-CD1 3.61Å; L353-L366 HydrophobicContact CG-CD1 3.99Å; Y363-L366 HydrophobicContact CD1-CD1 3.81Å; Y363-L366 HydrophobicContact CE1-CD1 4.12Å; L366-K368 PolarHBondContact O-N 3.15Å
367H85.9Confident90.8Very high63 Ų6323.6 Ų23.629%0.29212%0.118SC..THydrogen-bonded Turntrans6210.2-180-43.4-84.9000115.2P372 S373 L448 N450H367-P372 PolarHBondContact N-O 2.88Å; H367-S373 PolarHBondContact CE1-O 3.28Å; H367-S373 PolarHBondContact ND1-O 3.23Å; H367-L448 PolarHBondContact CE1-O 3Å; H367-L448 PolarHBondContact NE2-O 2.54Å; H367-N450 PolarHBondContact CD2-OD1 3.12Å; H367-N450 VanDerWaalsContact CD2-OD1 3.23Å; H367-N450 PolarHBondContact NE2-OD1 2.67Å
368K82.7Confident90.8Very high86 Ų8625.1 Ų25.137%0.37413%0.126SC..SBendtrans-94.7173.4169.8-67.7-175.4172.7168.50111.8R364 R365 L366 L370 A371R364-K368 WeakPolarHBondContact O-CD 3.01Å; R364-K368 WeakPolarHBondContact O-CE 3.41Å; R364-K368 PolarHBondContact O-NZ 3.22Å; R365-K368 WeakPolarHBondContact O-CB 3.35Å; L366-K368 PolarHBondContact O-N 3.15Å; K368-L370 PolarHBondContact O-N 3.38Å; K368-A371 PolarHBondContact O-N 3.32Å; K368-A371 VanDerWaalsContact O-N 3.17Å
369H72.9Confident90.8Very high148 Ų14826.6 Ų26.669%0.68513%0.132SC*.THydrogen-bonded Turntrans-55.1134.4175.5-173.7-97.8000111.3A371 Y383H369-A371 PolarHBondContact O-N 3.03Å; H369-Y383 AromaticContact NE2-CE1 3.88Å
370L77Confident90.7Very high75 Ų7530.1 Ų30.139%0.39315%0.148SC..THydrogen-bonded Turntrans61.8-0.9-176.3-64.2164.2000116.6K368 Y383 R401K368-L370 PolarHBondContact O-N 3.38Å; L370-Y383 HydrophobicContact CD2-CD1 4.01Å; L370-Y383 HydrophobicContact CD2-CE1 3.45Å; L370-Y383 VanDerWaalsContact CD2-CE1 3.45Å; L370-Y383 HydrophobicContact CD2-CE2 4.35Å; L370-Y383 HydrophobicContact CG-CE1 4.08Å; L370-R401 PolarHBondContact O-NH2 3.09Å
371A82.1Confident90.5Very high13 Ų1331.2 Ų31.211%0.10715%0.154CC..SBendtrans-98.2147.617500000111.3R365 K368 H369R365-A371 HydrophobicContact CG-CB 4Å; R365-A371 WeakPolarHBondContact O-CB 3.41Å; K368-A371 PolarHBondContact O-N 3.32Å; K368-A371 VanDerWaalsContact O-N 3.17Å; H369-A371 PolarHBondContact O-N 3.03Å
372P86.2Confident90.2Very high1 Ų138.1 Ų38.11%0.00618%0.18CC..  trans-56.1142.2173.5-30.539.1000114H367 S385 R401 I402 L448H367-P372 PolarHBondContact N-O 2.88Å; P372-S385 WeakPolarHBondContact CB-OG 3.46Å; P372-R401 HydrophobicContact CG-CB 3.96Å; P372-R401 WeakPolarHBondContact CG-O 3.39Å; P372-I402 HydrophobicContact CB-CD1 3.36Å; P372-I402 HydrophobicContact CB-CG1 4.47Å; P372-I402 HydrophobicContact CG-CD1 3.81Å; P372-I402 HydrophobicContact CG-CG1 4.46Å; P372-L448 HydrophobicContact CB-CD1 4.11Å
373S90.2Very high89.9Confident36 Ų3643.9 Ų43.925%0.25220%0.202SC..  trans-132.9-20.3-178.665.20000114.5H367 L448H367-S373 PolarHBondContact CE1-O 3.28Å; H367-S373 PolarHBondContact ND1-O 3.23Å; S373-L448 PolarHBondContact O-N 3.11Å; S373-L448 VanDerWaalsContact O-N 3.08Å
374C94Very high89.8Confident2 Ų243.6 Ų43.61%0.01420%0.202CC..BIsolated β-bridgetrans-150167.2-176.555.60000112.5N376 S385 L437 C445 K446C374-N376 PolarHBondContact O-N 2.94Å; C374-N376 PolarHBondContact O-OD1 3.14Å; C374-N376 VanDerWaalsContact SG-CG 3.6Å; C374-N376 PolarHBondContact SG-ND2 3.18Å; C374-S385 WeakPolarHBondContact O-CB 3.41Å; C374-S385 PolarHBondContact O-OG 3.05Å; C374-L437 HydrophobicContact CB-CD1 3.89Å; C374-L437 HydrophobicContact CB-CD2 3.91Å; C374-L437 HydrophobicContact CB-CG 3.69Å; C374-C445 PolarHBondContact SG-SG 3.35Å; C374-K446 CarbonylContact C-O 3.58Å; C374-K446 WeakPolarHBondContact CA-O 3.39Å; C374-K446 WeakPolarHBondContact CB-O 3.39Å
375V95.7Very high90Very high16 Ų1643.2 Ų43.210%0.09720%0.2CC..SBendtrans-76.2100.4175.7-177.60000109L346 L349 P350 C445 K446 L448L346-V375 HydrophobicContact CB-CG1 3.8Å; L346-V375 HydrophobicContact CD2-CG1 3.92Å; L346-V375 HydrophobicContact CG-CG1 4.4Å; L346-V375 WeakPolarHBondContact O-CG1 3.47Å; L349-V375 HydrophobicContact CB-CG1 4.44Å; L349-V375 HydrophobicContact CB-CG2 4.27Å; L349-V375 HydrophobicContact CD2-CG1 4.38Å; L349-V375 HydrophobicContact CD2-CG2 4.38Å; P350-V375 HydrophobicContact CG-CG2 4.02Å; V375-C445 PolarHBondContact O-SG 3Å; V375-K446 HydrophobicContact CG2-CB 4.35Å; V375-K446 PolarHBondContact N-O 3.21Å; V375-L448 HydrophobicContact CG2-CD2 3.92Å
376N95.9Very high90.2Very high5 Ų542.6 Ų42.63%0.02720%0.198CC..  trans-158.6167.517960.35.6000113.5L346 C374 I384 S385 I386 L435L346-N376 WeakPolarHBondContact CD2-O 3.47Å; C374-N376 PolarHBondContact O-N 2.94Å; C374-N376 PolarHBondContact O-OD1 3.14Å; C374-N376 VanDerWaalsContact SG-CG 3.6Å; C374-N376 PolarHBondContact SG-ND2 3.18Å; N376-I384 HydrophobicContact CB-CD1 3.81Å; N376-I384 HydrophobicContact CB-CG1 4.11Å; N376-I384 WeakPolarHBondContact ND2-CD1 3.27Å; N376-I384 WeakPolarHBondContact OD1-CG1 3.38Å; N376-S385 WeakPolarHBondContact O-CB 3.45Å; N376-S385 PolarHBondContact OD1-N 2.8Å; N376-S385 PolarHBondContact OD1-OG 2.89Å; N376-I386 PolarHBondContact O-N 2.96Å; N376-I386 VanDerWaalsContact O-N 3.16Å; N376-L435 WeakPolarHBondContact CB-O 3.34Å; N376-L435 PolarHBondContact ND2-O 2.99Å
377W97.5Very high90.6Very high6 Ų643.4 Ų43.42%0.02320%0.2CC..EExtended strand (participates in β ladder)trans-148.5153.6178.477.9-66000111.1L334 I342 L346 F379 I384 I386 V388 P430 P431 S433 G434L334-W377 HydrophobicContact CD2-CH2 3.83Å; L334-W377 HydrophobicContact CD2-CZ3 3.77Å; I342-W377 HydrophobicContact CD1-CE3 3.83Å; I342-W377 HydrophobicContact CD1-CZ3 3.81Å; I342-W377 HydrophobicContact CG2-CB 4Å; I342-W377 HydrophobicContact CG2-CD2 3.81Å; I342-W377 HydrophobicContact CG2-CE3 4.13Å; I342-W377 HydrophobicContact CG2-CG 3.76Å; L346-W377 HydrophobicContact CD1-CB 4.15Å; L346-W377 HydrophobicContact CD1-CG 3.99Å; L346-W377 HydrophobicContact CD2-CB 4.41Å; W377-F379 HydrophobicContact CH2-CE2 4.05Å; W377-F379 AromaticContact CH2-CZ 3.86Å; W377-F379 HydrophobicContact CH2-CZ 3.86Å; W377-F379 HydrophobicContact CZ3-CE1 4.19Å; W377-F379 HydrophobicContact CZ3-CE2 4.05Å; W377-F379 AromaticContact CZ3-CZ 3.77Å; W377-F379 HydrophobicContact CZ3-CZ 3.77Å; W377-I384 VanDerWaalsContact C-CG1 3.45Å; W377-I384 VanDerWaalsContact CA-CG1 3.49Å; W377-I386 WeakPolarHBondContact CA-O 3.21Å; W377-I386 HydrophobicContact CB-CB 3.92Å; W377-I386 HydrophobicContact CB-CG2 4.39Å; W377-I386 VanDerWaalsContact CB-O 3.26Å; W377-I386 WeakPolarHBondContact CB-O 3.22Å; W377-V388 HydrophobicContact CE3-CG2 3.62Å; W377-V388 HydrophobicContact CZ3-CG2 3.83Å; W377-P430 HydrophobicContact CH2-CG 4.47Å; W377-P430 HydrophobicContact CZ2-CB 4.27Å; W377-P430 HydrophobicContact CZ2-CG 3.69Å; W377-P431 PolarHBondContact NE1-O 3.17Å; W377-S433 WeakPolarHBondContact O-CA 3.41Å; W377-G434 PolarHBondContact O-N 2.95Å
378D96.8Very high91.2Very high33 Ų3340.4 Ų40.418%0.17619%0.186CC..EExtended strand (participates in β ladder)trans-162.3165.6176.3-1567.8000112.1D381 I384 I386 R387 V388 S433 G434D378-D381 HydrophobicContact CB-CB 3.95Å; D378-I384 HydrophobicContact CB-CB 4.44Å; D378-I384 HydrophobicContact CB-CD1 4.08Å; D378-I384 HydrophobicContact CB-CG1 4Å; D378-I386 PolarHBondContact N-O 2.91Å; D378-R387 WeakPolarHBondContact O-CA 3.42Å; D378-V388 PolarHBondContact O-N 2.77Å; D378-S433 WeakPolarHBondContact OD1-CB 3.39Å; D378-S433 PolarHBondContact OD1-OG 3.46Å; D378-G434 VanDerWaalsContact CG-CA 3.47Å; D378-G434 PolarHBondContact OD1-N 2.72Å; D378-G434 WeakPolarHBondContact OD2-CA 3.47Å
379F97.2Very high91.9Very high35 Ų3537.9 Ų37.915%0.15418%0.176CC..EExtended strand (participates in β ladder)trans-81125.1174.4-59.3-82.6000110.3D332 L334 W377 D381 V388 N390D332-F379 HydrophobicContact CB-CE1 4.01Å; D332-F379 HydrophobicContact CB-CE2 4.25Å; D332-F379 HydrophobicContact CB-CZ 3.57Å; L334-F379 HydrophobicContact CB-CE1 4.43Å; L334-F379 HydrophobicContact CD2-CE1 4Å; L334-F379 HydrophobicContact CD2-CZ 3.97Å; W377-F379 HydrophobicContact CH2-CE2 4.05Å; W377-F379 AromaticContact CH2-CZ 3.86Å; W377-F379 HydrophobicContact CH2-CZ 3.86Å; W377-F379 HydrophobicContact CZ3-CE1 4.19Å; W377-F379 HydrophobicContact CZ3-CE2 4.05Å; W377-F379 AromaticContact CZ3-CZ 3.77Å; W377-F379 HydrophobicContact CZ3-CZ 3.77Å; F379-D381 PolarHBondContact O-N 3.45Å; F379-V388 WeakPolarHBondContact CA-O 3.22Å; F379-V388 HydrophobicContact CD1-CB 3.93Å; F379-V388 HydrophobicContact CD1-CG1 3.85Å; F379-V388 HydrophobicContact CE1-CB 4.25Å; F379-V388 HydrophobicContact CE1-CG1 3.9Å; F379-N390 VanDerWaalsContact CD1-ND2 3.32Å; F379-N390 WeakPolarHBondContact CD1-ND2 3.17Å; F379-N390 WeakPolarHBondContact CE1-ND2 3.43Å
380H92.8Very high93Very high74 Ų7431.9 Ų31.934%0.34315%0.148SC..SBendtrans59.7-2.6173-54.1-77.3000117.3R387 V388 N390H380-R387 VanDerWaalsContact C-NE 3.25Å; H380-R387 PolarHBondContact O-NE 3.04Å; H380-R387 PolarHBondContact O-NH2 3.06Å; H380-V388 PolarHBondContact N-O 3.12Å; H380-N390 PolarHBondContact NE2-OD1 3.17Å
381D92.4Very high93.8Very high28 Ų2832.6 Ų32.615%0.1515%0.152CC..  trans-74.4128178.4-167.1-9.9000112.4D378 F379 Y383 I384 R387 K436D378-D381 HydrophobicContact CB-CB 3.95Å; F379-D381 PolarHBondContact O-N 3.45Å; D381-Y383 WeakPolarHBondContact OD1-CB 3.19Å; D381-Y383 WeakPolarHBondContact OD1-CD2 3.17Å; D381-Y383 PolarHBondContact OD1-N 3.38Å; D381-I384 HydrophobicContact CB-CB 4.3Å; D381-I384 HydrophobicContact CB-CG2 4.48Å; D381-I384 WeakPolarHBondContact O-CG2 3.31Å; D381-R387 VanDerWaalsContact O-CD 3.3Å; D381-R387 WeakPolarHBondContact O-CD 3.25Å; D381-R387 VanDerWaalsContact O-CG 3.3Å; D381-R387 WeakPolarHBondContact O-CG 3.12Å; D381-K436 WeakPolarHBondContact OD2-CE 3.25Å; D381-K436 IonicContact OD2-NZ 3.7Å; D381-K436 PolarHBondContact OD2-NZ 3.05Å
382R89.4Confident94.5Very high146 Ų14634.8 Ų34.855%0.55116%0.162SC*.THydrogen-bonded Turntrans-84.9-9.1176.5-65.7-177.4-179.2-1193.8113.3R401R382-R401 PolarHBondContact O-NE 3.01Å; R382-R401 VanDerWaalsContact O-NE 3.09Å; R382-R401 PolarHBondContact O-NH2 2.82Å
383Y88.6Confident95Very high120 Ų12037.5 Ų37.547%0.47118%0.175SC..THydrogen-bonded Turntrans-96.89.5-179.6-62.1-84.8000113.2H369 L370 D381H369-Y383 AromaticContact NE2-CE1 3.88Å; L370-Y383 HydrophobicContact CD2-CD1 4.01Å; L370-Y383 HydrophobicContact CD2-CE1 3.45Å; L370-Y383 VanDerWaalsContact CD2-CE1 3.45Å; L370-Y383 HydrophobicContact CD2-CE2 4.35Å; L370-Y383 HydrophobicContact CG-CE1 4.08Å; D381-Y383 WeakPolarHBondContact OD1-CB 3.19Å; D381-Y383 WeakPolarHBondContact OD1-CD2 3.17Å; D381-Y383 PolarHBondContact OD1-N 3.38Å
384I93.7Very high95.2Very high1 Ų144.3 Ų44.31%0.00520%0.2CC..SBendtrans-105.3162.1-175.9-144.377.9000110.9N376 W377 D378 D381 I386 R387 R401N376-I384 HydrophobicContact CB-CD1 3.81Å; N376-I384 HydrophobicContact CB-CG1 4.11Å; N376-I384 WeakPolarHBondContact ND2-CD1 3.27Å; N376-I384 WeakPolarHBondContact OD1-CG1 3.38Å; W377-I384 VanDerWaalsContact C-CG1 3.45Å; W377-I384 VanDerWaalsContact CA-CG1 3.49Å; D378-I384 HydrophobicContact CB-CB 4.44Å; D378-I384 HydrophobicContact CB-CD1 4.08Å; D378-I384 HydrophobicContact CB-CG1 4Å; D381-I384 HydrophobicContact CB-CB 4.3Å; D381-I384 HydrophobicContact CB-CG2 4.48Å; D381-I384 WeakPolarHBondContact O-CG2 3.31Å; I384-I386 WeakPolarHBondContact CG2-O 3.38Å; I384-R387 HydrophobicContact CG2-CB 3.83Å; I384-R401 WeakPolarHBondContact O-CD 3.33Å; I384-R401 PolarHBondContact O-NE 2.83Å
385S96.2Very high95.3Very high0 Ų049 Ų490%022%0.221CC..SBendtrans-76.4-49.5176.3-68.80000113P372 C374 N376 R401P372-S385 WeakPolarHBondContact CB-OG 3.46Å; C374-S385 WeakPolarHBondContact O-CB 3.41Å; C374-S385 PolarHBondContact O-OG 3.05Å; N376-S385 WeakPolarHBondContact O-CB 3.45Å; N376-S385 PolarHBondContact OD1-N 2.8Å; N376-S385 PolarHBondContact OD1-OG 2.89Å; S385-R401 WeakPolarHBondContact O-CB 3.33Å; S385-R401 PolarHBondContact O-N 3.22Å
386I98Very high95.4Very high0 Ų048.3 Ų48.30%022%0.217CC..EExtended strand (participates in β ladder)trans-114.6106.8179.8-54.9-56.9000109.1I342 I345 L346 L349 N376 W377 D378 I384 I398 N400I342-I386 HydrophobicContact CG2-CG2 4.44Å; I345-I386 HydrophobicContact CG2-CD1 3.57Å; I345-I386 HydrophobicContact CG2-CG1 3.88Å; L346-I386 HydrophobicContact CD2-CB 4.38Å; L346-I386 HydrophobicContact CD2-CG1 3.77Å; L349-I386 HydrophobicContact CD1-CD1 4.17Å; N376-I386 PolarHBondContact O-N 2.96Å; N376-I386 VanDerWaalsContact O-N 3.16Å; W377-I386 WeakPolarHBondContact CA-O 3.21Å; W377-I386 HydrophobicContact CB-CB 3.92Å; W377-I386 HydrophobicContact CB-CG2 4.39Å; W377-I386 VanDerWaalsContact CB-O 3.26Å; W377-I386 WeakPolarHBondContact CB-O 3.22Å; D378-I386 PolarHBondContact N-O 2.91Å; I384-I386 WeakPolarHBondContact CG2-O 3.38Å; I386-I398 HydrophobicContact CG2-CG2 3.44Å; I386-I398 VanDerWaalsContact CG2-CG2 3.44Å; I386-N400 HydrophobicContact CD1-CB 4.07Å
387R97.6Very high95.6Very high23 Ų2350.9 Ų50.99%0.08723%0.227CC..EExtended strand (participates in β ladder)trans-99131.4-176.6180-170.9-171-158.60.7110.2D378 H380 D381 I384 E399D378-R387 WeakPolarHBondContact O-CA 3.42Å; H380-R387 VanDerWaalsContact C-NE 3.25Å; H380-R387 PolarHBondContact O-NE 3.04Å; H380-R387 PolarHBondContact O-NH2 3.06Å; D381-R387 VanDerWaalsContact O-CD 3.3Å; D381-R387 WeakPolarHBondContact O-CD 3.25Å; D381-R387 VanDerWaalsContact O-CG 3.3Å; D381-R387 WeakPolarHBondContact O-CG 3.12Å; I384-R387 HydrophobicContact CG2-CB 3.83Å; R387-E399 HydrophobicContact CB-CB 4.14Å; R387-E399 WeakPolarHBondContact CD-OE2 3.33Å; R387-E399 PolarHBondContact N-O 2.82Å; R387-E399 IonicContact NH1-OE1 3.88Å; R387-E399 PolarHBondContact NH1-OE1 2.85Å; R387-E399 VanDerWaalsContact NH1-OE1 3.13Å; R387-E399 IonicContact NH1-OE2 3.39Å; R387-E399 PolarHBondContact NH1-OE2 2.85Å; R387-E399 PolarHBondContact O-N 3.01Å
388V98.5Very high95.6Very high0 Ų050.7 Ų50.70%023%0.226CC..EExtended strand (participates in β ladder)trans-103.2128.21771800000109.5L334 I342 W377 D378 F379 H380 N390 I398L334-V388 HydrophobicContact CD1-CG1 3.88Å; I342-V388 HydrophobicContact CD1-CG2 3.65Å; W377-V388 HydrophobicContact CE3-CG2 3.62Å; W377-V388 HydrophobicContact CZ3-CG2 3.83Å; D378-V388 PolarHBondContact O-N 2.77Å; F379-V388 WeakPolarHBondContact CA-O 3.22Å; F379-V388 HydrophobicContact CD1-CB 3.93Å; F379-V388 HydrophobicContact CD1-CG1 3.85Å; F379-V388 HydrophobicContact CE1-CB 4.25Å; F379-V388 HydrophobicContact CE1-CG1 3.9Å; H380-V388 PolarHBondContact N-O 3.12Å; V388-N390 HydrophobicContact CG1-CB 4.33Å; V388-I398 HydrophobicContact CG2-CG1 4.4Å
389K97.7Very high95.7Very high34 Ų3449.2 Ų49.215%0.14822%0.218CC..EExtended strand (participates in β ladder)trans-106.7131.4164.9-54.4-166-154.4165.30107.2T396 Y397 E399K389-T396 CarbonylContact O-C 3.4Å; K389-T396 WeakPolarHBondContact O-CA 3.18Å; K389-Y397 HydrophobicContact CB-CD1 4.19Å; K389-Y397 HydrophobicContact CB-CE1 3.97Å; K389-Y397 HydrophobicContact CB-CE2 4.5Å; K389-Y397 HydrophobicContact CD-CE1 3.92Å; K389-Y397 HydrophobicContact CD-CE2 3.89Å; K389-Y397 VanDerWaalsContact CD-CZ 3.42Å; K389-Y397 VanDerWaalsContact CD-OH 3.32Å; K389-Y397 WeakPolarHBondContact CD-OH 3.38Å; K389-Y397 WeakPolarHBondContact CE-OH 3.34Å; K389-Y397 HydrophobicContact CG-CE1 4.35Å; K389-Y397 HydrophobicContact CG-CE2 4.22Å; K389-Y397 PolarHBondContact N-O 3.28Å; K389-Y397 PolarHBondContact NZ-OH 3.33Å; K389-Y397 PolarHBondContact O-N 2.58Å; K389-Y397 VanDerWaalsContact O-O 3.13Å; K389-E399 WeakPolarHBondContact CE-OE1 3.3Å; K389-E399 IonicContact NZ-OE1 2.91Å; K389-E399 PolarHBondContact NZ-OE1 3.39Å
390N96.1Very high95.7Very high21 Ų2147.5 Ų47.511%0.11221%0.211CC..EExtended strand (participates in β ladder)trans-141.234.8-168.663.6-17.5000112.9D332 R333 F379 H380 V388 T396D332-N390 PolarHBondContact O-ND2 2.79Å; R333-N390 HydrophobicContact CB-CB 4.5Å; F379-N390 VanDerWaalsContact CD1-ND2 3.32Å; F379-N390 WeakPolarHBondContact CD1-ND2 3.17Å; F379-N390 WeakPolarHBondContact CE1-ND2 3.43Å; H380-N390 PolarHBondContact NE2-OD1 3.17Å; V388-N390 HydrophobicContact CG1-CB 4.33Å; N390-T396 WeakPolarHBondContact CA-OG1 3.38Å
391L93.9Very high95.9Very high90 Ų9044.6 Ų44.647%0.47120%0.197SC..SBendtrans-65.7-44.6-170.9-63.3178.2000112.6R333 Q395R333-L391 PolarHBondContact NH1-O 2.89Å; L391-Q395 HydrophobicContact CB-CB 4.13Å
392N96.2Very high96.1Very high59 Ų5943.3 Ų43.332%0.31619%0.19SC..SBendtrans-162.1173.6177.556.965.1000109.1K394 Q395 T396N392-K394 PolarHBondContact O-N 3.22Å; N392-K394 PolarHBondContact OD1-N 2.74Å; N392-Q395 PolarHBondContact ND2-OE1 3Å; N392-Q395 CarbonylContact O-C 3.6Å; N392-Q395 PolarHBondContact O-N 3.35Å; N392-Q395 PolarHBondContact OD1-N 2.63Å; N392-T396 PolarHBondContact O-N 3.2Å; N392-T396 PolarHBondContact O-OG1 3.25Å
393E96.9Very high96.5Very high59 Ų5936.3 Ų36.328%0.27616%0.164SC..G310 helixtrans-50-38.7-177.1-166.7172.6-150.500113.8R322 N323 Y326R322-E393 IonicContact CZ-OE1 2.72Å; R322-E393 IonicContact NE-OE1 2.85Å; R322-E393 PolarHBondContact NE-OE1 3.44Å; R322-E393 IonicContact NH2-OE1 3.78Å; N323-E393 HydrophobicContact CB-CG 3.78Å; N323-E393 WeakPolarHBondContact CB-O 3.45Å; N323-E393 PolarHBondContact ND2-O 3.05Å; Y326-E393 HydrophobicContact CD1-CB 3.43Å; Y326-E393 VanDerWaalsContact CD1-CB 3.43Å; Y326-E393 HydrophobicContact CD1-CG 3.62Å; Y326-E393 HydrophobicContact CE1-CB 3.7Å; Y326-E393 HydrophobicContact CE1-CG 4.28Å; Y326-E393 VanDerWaalsContact CG-CA 3.47Å; Y326-E393 HydrophobicContact CG-CB 3.88Å; Y326-E393 HydrophobicContact CG-CG 4.12Å
394K95.4Very high96.8Very high178 Ų17830.6 Ų30.677%0.77414%0.141SC*.G310 helixtrans-79.9-25.6-179.6-65.3-173178.4-175.60113.6N392N392-K394 PolarHBondContact O-N 3.22Å; N392-K394 PolarHBondContact OD1-N 2.74Å
395Q95.3Very high96.9Very high100 Ų10030.6 Ų30.647%0.46714%0.141SC..G310 helixtrans-110.118.7-175.9-63.5-177.4-69.900112.4L391 N392L391-Q395 HydrophobicContact CB-CB 4.13Å; N392-Q395 PolarHBondContact ND2-OE1 3Å; N392-Q395 CarbonylContact O-C 3.6Å; N392-Q395 PolarHBondContact O-N 3.35Å; N392-Q395 PolarHBondContact OD1-N 2.63Å
396T98.2Very high96.9Very high2 Ų230.6 Ų30.61%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-91.2114.4171.4-65.90000110.6N323 F325 Y326 K389 N390 N392N323-T396 PolarHBondContact ND2-O 2.94Å; F325-T396 HydrophobicContact CB-CG2 3.85Å; Y326-T396 WeakPolarHBondContact CD2-OG1 3.33Å; K389-T396 CarbonylContact O-C 3.4Å; K389-T396 WeakPolarHBondContact O-CA 3.18Å; N390-T396 WeakPolarHBondContact CA-OG1 3.38Å; N392-T396 PolarHBondContact O-N 3.2Å; N392-T396 PolarHBondContact O-OG1 3.25Å
397Y98.5Very high96.8Very high60 Ų6030.7 Ų30.724%0.23514%0.142CC..EExtended strand (participates in β ladder)trans-156.4166.7178.664.8-89.9000111.3N312 H313 K389 E399N312-Y397 HydrophobicContact CB-CD2 4.03Å; N312-Y397 HydrophobicContact CB-CE2 4.05Å; N312-Y397 WeakPolarHBondContact OD1-CE2 3.36Å; H313-Y397 WeakPolarHBondContact O-CB 3.29Å; K389-Y397 HydrophobicContact CB-CD1 4.19Å; K389-Y397 HydrophobicContact CB-CE1 3.97Å; K389-Y397 HydrophobicContact CB-CE2 4.5Å; K389-Y397 HydrophobicContact CD-CE1 3.92Å; K389-Y397 HydrophobicContact CD-CE2 3.89Å; K389-Y397 VanDerWaalsContact CD-CZ 3.42Å; K389-Y397 VanDerWaalsContact CD-OH 3.32Å; K389-Y397 WeakPolarHBondContact CD-OH 3.38Å; K389-Y397 WeakPolarHBondContact CE-OH 3.34Å; K389-Y397 HydrophobicContact CG-CE1 4.35Å; K389-Y397 HydrophobicContact CG-CE2 4.22Å; K389-Y397 PolarHBondContact N-O 3.28Å; K389-Y397 PolarHBondContact NZ-OH 3.33Å; K389-Y397 PolarHBondContact O-N 2.58Å; K389-Y397 VanDerWaalsContact O-O 3.13Å; Y397-E399 HydrophobicContact CE2-CB 4.47Å
398I98.7Very high96.8Very high1 Ų129.8 Ų29.81%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-107.8129.2176.9-62.2171.6000108N312 H313 F325 I342 I386 V388N312-I398 CarbonylContact C-O 3.53Å; N312-I398 WeakPolarHBondContact CA-O 3.5Å; H313-I398 PolarHBondContact N-O 3.25Å; H313-I398 PolarHBondContact O-N 2.67Å; F325-I398 HydrophobicContact CD2-CD1 4.06Å; F325-I398 HydrophobicContact CD2-CG1 4.13Å; F325-I398 HydrophobicContact CE2-CB 4.48Å; F325-I398 HydrophobicContact CE2-CD1 3.52Å; F325-I398 HydrophobicContact CE2-CG1 3.87Å; F325-I398 HydrophobicContact CZ-CD1 3.8Å; I342-I398 HydrophobicContact CD1-CD1 4.08Å; I342-I398 HydrophobicContact CG1-CD1 3.54Å; I342-I398 HydrophobicContact CG1-CG1 4.36Å; I386-I398 HydrophobicContact CG2-CG2 3.44Å; I386-I398 VanDerWaalsContact CG2-CG2 3.44Å; V388-I398 HydrophobicContact CG2-CG1 4.4Å
399E98.5Very high96.8Very high2 Ų230 Ų301%0.00914%0.14CC..EExtended strand (participates in β ladder)trans-101.8106.3172.1178-170.7-69.900107.6H310 N312 R387 K389 Y397 R401H310-E399 HydrophobicContact CB-CG 4.08Å; N312-E399 WeakPolarHBondContact OD1-CB 3.36Å; N312-E399 VanDerWaalsContact OD1-CG 3.3Å; N312-E399 WeakPolarHBondContact OD1-CG 3.16Å; R387-E399 HydrophobicContact CB-CB 4.14Å; R387-E399 WeakPolarHBondContact CD-OE2 3.33Å; R387-E399 PolarHBondContact N-O 2.82Å; R387-E399 IonicContact NH1-OE1 3.88Å; R387-E399 PolarHBondContact NH1-OE1 2.85Å; R387-E399 VanDerWaalsContact NH1-OE1 3.13Å; R387-E399 IonicContact NH1-OE2 3.39Å; R387-E399 PolarHBondContact NH1-OE2 2.85Å; R387-E399 PolarHBondContact O-N 3.01Å; K389-E399 WeakPolarHBondContact CE-OE1 3.3Å; K389-E399 IonicContact NZ-OE1 2.91Å; K389-E399 PolarHBondContact NZ-OE1 3.39Å; Y397-E399 HydrophobicContact CE2-CB 4.47Å; E399-R401 HydrophobicContact CG-CG 3.9Å; E399-R401 VanDerWaalsContact OE2-CD 3.28Å; E399-R401 WeakPolarHBondContact OE2-CD 3.32Å; E399-R401 WeakPolarHBondContact OE2-CG 3.16Å; E399-R401 IonicContact OE2-CZ 3.7Å; E399-R401 IonicContact OE2-NE 4Å; E399-R401 IonicContact OE2-NH1 3.31Å; E399-R401 PolarHBondContact OE2-NH1 2.94Å
400N97.8Very high96.9Very high0 Ų028.3 Ų28.30%013%0.133CC..EExtended strand (participates in β ladder)trans-83.7113.7169.7-179.90.9000109.1H310 Y311 I386 I402 P403H310-N400 WeakPolarHBondContact CA-O 3.47Å; Y311-N400 PolarHBondContact N-O 2.85Å; Y311-N400 PolarHBondContact O-N 3.23Å; I386-N400 HydrophobicContact CD1-CB 4.07Å; N400-I402 WeakPolarHBondContact OD1-CG1 3.23Å; N400-I402 PolarHBondContact OD1-N 3.34Å; N400-I402 VanDerWaalsContact OD1-N 3.12Å; N400-P403 VanDerWaalsContact O-CD 3.25Å; N400-P403 WeakPolarHBondContact O-CD 3.45Å
401R96.5Very high97Very high13 Ų1327.5 Ų27.55%0.04913%0.128CC..  trans-94.3-1.5-173.3-59.9167.759.974.413.7113.4R365 L370 P372 R382 I384 S385 E399R365-R401 PolarHBondContact NH1-O 3.25Å; L370-R401 PolarHBondContact O-NH2 3.09Å; P372-R401 HydrophobicContact CG-CB 3.96Å; P372-R401 WeakPolarHBondContact CG-O 3.39Å; R382-R401 PolarHBondContact O-NE 3.01Å; R382-R401 VanDerWaalsContact O-NE 3.09Å; R382-R401 PolarHBondContact O-NH2 2.82Å; I384-R401 WeakPolarHBondContact O-CD 3.33Å; I384-R401 PolarHBondContact O-NE 2.83Å; S385-R401 WeakPolarHBondContact O-CB 3.33Å; S385-R401 PolarHBondContact O-N 3.22Å; E399-R401 HydrophobicContact CG-CG 3.9Å; E399-R401 VanDerWaalsContact OE2-CD 3.28Å; E399-R401 WeakPolarHBondContact OE2-CD 3.32Å; E399-R401 WeakPolarHBondContact OE2-CG 3.16Å; E399-R401 IonicContact OE2-CZ 3.7Å; E399-R401 IonicContact OE2-NE 4Å; E399-R401 IonicContact OE2-NH1 3.31Å; E399-R401 PolarHBondContact OE2-NH1 2.94Å
402I96.2Very high97.2Very high0 Ų023.2 Ų23.20%011%0.106CC..  trans-77-29.6-179.2-34.8-94.2000114.3L349 L353 S356 C357 R365 P372 N400 S404 L448L349-I402 HydrophobicContact CD1-CG1 3.95Å; L349-I402 HydrophobicContact CD2-CD1 4.21Å; L349-I402 HydrophobicContact CD2-CG1 4.39Å; L349-I402 HydrophobicContact CG-CD1 4.43Å; L349-I402 HydrophobicContact CG-CG1 4.35Å; L353-I402 HydrophobicContact CD1-CB 4.12Å; L353-I402 HydrophobicContact CD1-CD1 4.23Å; L353-I402 HydrophobicContact CD1-CG2 4.18Å; S356-I402 VanDerWaalsContact CB-CG2 3.42Å; C357-I402 PolarHBondContact SG-O 3.33Å; R365-I402 PolarHBondContact NH2-O 3.47Å; P372-I402 HydrophobicContact CB-CD1 3.36Å; P372-I402 HydrophobicContact CB-CG1 4.47Å; P372-I402 HydrophobicContact CG-CD1 3.81Å; P372-I402 HydrophobicContact CG-CG1 4.46Å; N400-I402 WeakPolarHBondContact OD1-CG1 3.23Å; N400-I402 PolarHBondContact OD1-N 3.34Å; N400-I402 VanDerWaalsContact OD1-N 3.12Å; I402-S404 PolarHBondContact O-N 3.34Å; I402-L448 HydrophobicContact CD1-CD1 3.47Å; I402-L448 VanDerWaalsContact CD1-CD1 3.47Å
403P97.5Very high97.3Very high0 Ų020.4 Ų20.40%09%0.091CC..  trans-65.7143.7-177.8-12.526000112.2C309 S356 N400 V412C309-P403 PolarHBondContact N-O 3.02Å; C309-P403 VanDerWaalsContact O-CB 3.26Å; C309-P403 WeakPolarHBondContact O-CB 3.21Å; S356-P403 WeakPolarHBondContact O-CA 3.29Å; N400-P403 VanDerWaalsContact O-CD 3.25Å; N400-P403 WeakPolarHBondContact O-CD 3.45Å; P403-V412 HydrophobicContact CB-CG1 4.02Å; P403-V412 HydrophobicContact CB-CG2 3.86Å; P403-V412 HydrophobicContact CG-CG1 3.56Å; P403-V412 HydrophobicContact CG-CG2 4.25Å
404S96Very high97.4Very high0 Ų017.6 Ų17.60%08%0.078CC..BIsolated β-bridgetrans-99.7159.3175.261.80000110.1T298 C309 S356 C362 I402 A406 S407T298-S404 WeakPolarHBondContact OG1-CB 3.45Å; C309-S404 WeakPolarHBondContact CB-O 3.33Å; S356-S404 PolarHBondContact O-N 2.88Å; S356-S404 PolarHBondContact O-OG 2.84Å; C362-S404 PolarHBondContact SG-OG 2.8Å; I402-S404 PolarHBondContact O-N 3.34Å; S404-A406 PolarHBondContact O-N 3.27Å; S404-S407 WeakPolarHBondContact O-CB 3.3Å; S404-S407 PolarHBondContact O-N 2.76Å; S404-S407 PolarHBondContact O-OG 3.13Å
405S94.9Very high97.6Very high0 Ų09.1 Ų9.10%04%0.041CC..THydrogen-bonded Turntrans-60.7-25.3174.2-53.90000113.3E182 Y276 K280 F296 S307 G308 S407E182-S405 WeakPolarHBondContact O-CB 3.23Å; E182-S405 PolarHBondContact O-OG 3.24Å; Y276-S405 PolarHBondContact OH-O 2.83Å; K280-S405 PolarHBondContact NZ-O 3.06Å; F296-S405 CarbonylContact O-C 3.48Å; F296-S405 WeakPolarHBondContact O-CB 3.08Å; S307-S405 PolarHBondContact O-OG 2.71Å; G308-S405 VanDerWaalsContact C-OG 3.31Å; G308-S405 PolarHBondContact O-OG 3.1Å; S405-S407 PolarHBondContact O-N 2.77Å
406A95.9Very high97.8Very high0 Ų04.4 Ų4.40%02%0.019CC..THydrogen-bonded Turntrans-73.4-12.2173.300000113.6F296 P358 T359 S404 M513F296-A406 PolarHBondContact O-N 3.42Å; P358-A406 HydrophobicContact CG-CB 4.43Å; P358-A406 WeakPolarHBondContact CG-O 3.15Å; T359-A406 HydrophobicContact CG2-CB 4.13Å; S404-A406 PolarHBondContact O-N 3.27Å; A406-M513 HydrophobicContact CB-CB 4.18Å; A406-M513 HydrophobicContact CB-CG 4.06Å; A406-M513 HydrophobicContact CB-SD 4.03Å
407S97Very high97.8Very high2 Ų24.3 Ų4.31%0.0142%0.019CC..SBendtrans-67151.4-178.268.70000113.8S356 S404 S405 V412S356-S407 WeakPolarHBondContact O-CB 3.39Å; S404-S407 WeakPolarHBondContact O-CB 3.3Å; S404-S407 PolarHBondContact O-N 2.76Å; S404-S407 PolarHBondContact O-OG 3.13Å; S405-S407 PolarHBondContact O-N 2.77Å; S407-V412 WeakPolarHBondContact OG-CG2 3.28Å
408C97.8Very high97.8Very high4 Ų41.5 Ų1.53%0.0271%0.008CC..  trans-80.5119.3167.81780000109.1Y410 H411 V412C408-Y410 VanDerWaalsContact C-N 3.28Å; C408-Y410 PolarHBondContact O-N 2.76Å; C408-H411 HydrophobicContact CB-CB 4.16Å; C408-H411 WeakPolarHBondContact CB-ND1 3.3Å; C408-H411 PolarHBondContact O-N 3.41Å; C408-V412 PolarHBondContact O-N 3.41Å; C408-V412 VanDerWaalsContact O-N 3.09Å
409S98.3Very high97.8Very high4 Ų41.4 Ų1.43%0.0281%0.007CC..Hα-helixtrans-54.6-42.7-176.8610000112.7F179 A273 H411 V412 L413F179-S409 WeakPolarHBondContact CZ-O 3.33Å; A273-S409 PolarHBondContact O-OG 3.3Å; S409-H411 VanDerWaalsContact C-N 3.33Å; S409-H411 PolarHBondContact O-N 3.2Å; S409-V412 PolarHBondContact O-N 3.1Å; S409-L413 WeakPolarHBondContact O-CB 3.17Å; S409-L413 PolarHBondContact O-N 3.4Å
410Y98.7Very high97.8Very high0 Ų01.3 Ų1.30%01%0.007CC..Hα-helixtrans-62-39.8177.8-54.1-79000112.4P43 P156 R157 A160 L270 A273 D274 F277 C408 A414P43-Y410 HydrophobicContact CB-CD2 3.99Å; P43-Y410 HydrophobicContact CB-CE2 3.85Å; P43-Y410 HydrophobicContact CG-CD2 3.73Å; P43-Y410 HydrophobicContact CG-CE2 3.48Å; P43-Y410 VanDerWaalsContact CG-CE2 3.48Å; P156-Y410 HydrophobicContact CB-CD2 4.31Å; P156-Y410 HydrophobicContact CB-CG 4.38Å; R157-Y410 HydrophobicContact CB-CD1 4.2Å; R157-Y410 HydrophobicContact CB-CE1 4.24Å; R157-Y410 HydrophobicContact CG-CD1 4.03Å; R157-Y410 HydrophobicContact CG-CE1 3.76Å; A160-Y410 HydrophobicContact CB-CD1 4.41Å; L270-Y410 HydrophobicContact CD1-CD1 3.96Å; L270-Y410 HydrophobicContact CD1-CE1 4.21Å; A273-Y410 HydrophobicContact CB-CD1 3.64Å; A273-Y410 HydrophobicContact CB-CE1 3.84Å; A273-Y410 HydrophobicContact CB-CG 4.21Å; D274-Y410 WeakPolarHBondContact OD1-CE1 3.43Å; D274-Y410 PolarHBondContact OD1-OH 3.1Å; F277-Y410 HydrophobicContact CB-CE2 3.92Å; F277-Y410 HydrophobicContact CD1-CE2 4.46Å; F277-Y410 HydrophobicContact CD2-CE2 4.07Å; F277-Y410 AromaticContact CG-CE2 3.9Å; F277-Y410 HydrophobicContact CG-CE2 3.9Å; C408-Y410 VanDerWaalsContact C-N 3.28Å; C408-Y410 PolarHBondContact O-N 2.76Å; Y410-A414 WeakPolarHBondContact O-CB 3.47Å; Y410-A414 PolarHBondContact O-N 3.17Å
411H98.5Very high97.9Very high3 Ų31.3 Ų1.31%0.0141%0.007CC..Hα-helixtrans-72.4-38.8179.9-56.1166.6000112.1I45 P156 I355 C408 S409 L413 A414 A415 F473I45-H411 PolarHBondContact O-CE1 3.48Å; P156-H411 WeakPolarHBondContact CB-NE2 3.49Å; P156-H411 VanDerWaalsContact CG-NE2 3.31Å; P156-H411 WeakPolarHBondContact CG-NE2 3.37Å; I355-H411 HydrophobicContact CG2-CB 3.37Å; C408-H411 HydrophobicContact CB-CB 4.16Å; C408-H411 WeakPolarHBondContact CB-ND1 3.3Å; C408-H411 PolarHBondContact O-N 3.41Å; S409-H411 VanDerWaalsContact C-N 3.33Å; S409-H411 PolarHBondContact O-N 3.2Å; H411-L413 VanDerWaalsContact C-N 3.35Å; H411-A414 PolarHBondContact O-N 2.92Å; H411-A415 WeakPolarHBondContact O-CB 3.35Å; H411-A415 PolarHBondContact O-N 3.16Å; H411-F473 HydrophobicContact CB-CZ 4.49Å; H411-F473 AromaticContact CD2-CE2 3.62Å; H411-F473 AromaticContact CD2-CZ 3.64Å; H411-F473 AromaticContact CE1-CE2 3.59Å; H411-F473 AromaticContact CE1-CZ 3.88Å; H411-F473 AromaticContact CG-CZ 3.86Å; H411-F473 AromaticContact ND1-CZ 3.99Å; H411-F473 AromaticContact NE2-CE2 3.21Å; H411-F473 WeakPolarHBondContact NE2-CE2 3.26Å; H411-F473 AromaticContact NE2-CZ 3.68Å
412V98.7Very high98Very high0 Ų00.9 Ų0.90%01%0.005CC..Hα-helixtrans-61.4-46.6175.5173.60000110.4F179 Y311 P403 S407 C408 S409 T416F179-V412 HydrophobicContact CE1-CB 4Å; F179-V412 HydrophobicContact CE1-CG1 3.88Å; F179-V412 HydrophobicContact CZ-CB 4.44Å; F179-V412 HydrophobicContact CZ-CG1 4.48Å; Y311-V412 HydrophobicContact CD1-CG1 4.11Å; Y311-V412 HydrophobicContact CD2-CG1 4.48Å; Y311-V412 HydrophobicContact CG-CG1 3.91Å; P403-V412 HydrophobicContact CB-CG1 4.02Å; P403-V412 HydrophobicContact CB-CG2 3.86Å; P403-V412 HydrophobicContact CG-CG1 3.56Å; P403-V412 HydrophobicContact CG-CG2 4.25Å; S407-V412 WeakPolarHBondContact OG-CG2 3.28Å; C408-V412 PolarHBondContact O-N 3.41Å; C408-V412 VanDerWaalsContact O-N 3.09Å; S409-V412 PolarHBondContact O-N 3.1Å; V412-T416 WeakPolarHBondContact O-CB 3.2Å; V412-T416 PolarHBondContact O-N 3.46Å; V412-T416 PolarHBondContact O-OG1 3.32Å
413L98.7Very high98.1Very high0 Ų00.9 Ų0.90%01%0.005CC..Hα-helixtrans-60-51.9175.9-175.4157.6000110.6A160 I164 L175 A273 S409 H411 A415 T416 I417A160-L413 HydrophobicContact CB-CD2 4.09Å; I164-L413 HydrophobicContact CD1-CD1 4.42Å; I164-L413 HydrophobicContact CD1-CD2 3.87Å; I164-L413 HydrophobicContact CG1-CD2 3.94Å; L175-L413 HydrophobicContact CD2-CD1 3.79Å; L175-L413 HydrophobicContact CD2-CD2 4.08Å; L175-L413 HydrophobicContact CD2-CG 3.77Å; A273-L413 HydrophobicContact CB-CD1 4.02Å; S409-L413 WeakPolarHBondContact O-CB 3.17Å; S409-L413 PolarHBondContact O-N 3.4Å; H411-L413 VanDerWaalsContact C-N 3.35Å; L413-A415 PolarHBondContact O-N 3Å; L413-T416 PolarHBondContact O-N 2.58Å; L413-I417 HydrophobicContact CD2-CD1 3.47Å; L413-I417 VanDerWaalsContact CD2-CD1 3.47Å; L413-I417 HydrophobicContact CD2-CG1 4.25Å; L413-I417 HydrophobicContact CG-CD1 4.43Å; L413-I417 WeakPolarHBondContact O-CG1 3.15Å; L413-I417 PolarHBondContact O-N 3.45Å
414A98.7Very high98.1Very high0 Ų02.1 Ų2.10%01%0.012CC..Hα-helixtrans-58.5-50.1179.900000112.4V159 L163 Y410 H411 T416 I417 A418 L469V159-A414 HydrophobicContact CG1-CB 3.85Å; L163-A414 HydrophobicContact CD1-CB 3.75Å; L163-A414 WeakPolarHBondContact CD1-O 3.28Å; Y410-A414 WeakPolarHBondContact O-CB 3.47Å; Y410-A414 PolarHBondContact O-N 3.17Å; H411-A414 PolarHBondContact O-N 2.92Å; A414-T416 VanDerWaalsContact C-N 3.27Å; A414-T416 PolarHBondContact O-N 3.33Å; A414-I417 PolarHBondContact O-N 3.46Å; A414-A418 VanDerWaalsContact O-CB 3.31Å; A414-A418 WeakPolarHBondContact O-CB 3.38Å; A414-A418 PolarHBondContact O-N 2.86Å; A414-L469 HydrophobicContact CB-CD2 3.98Å
415A98.8Very high98.3Very high0 Ų06.2 Ų6.20%03%0.031CC..Hα-helixtrans-61.2-38.3179.300000111.8M352 I355 H411 L413 A419 L469M352-A415 HydrophobicContact CE-CB 4.13Å; M352-A415 HydrophobicContact CG-CB 4.27Å; I355-A415 HydrophobicContact CD1-CB 3.98Å; I355-A415 HydrophobicContact CG2-CB 4.14Å; H411-A415 WeakPolarHBondContact O-CB 3.35Å; H411-A415 PolarHBondContact O-N 3.16Å; L413-A415 PolarHBondContact O-N 3Å; A415-A419 VanDerWaalsContact O-CB 3.28Å; A415-A419 WeakPolarHBondContact O-CB 3.43Å; A415-A419 PolarHBondContact O-N 3.24Å; A415-L469 HydrophobicContact CB-CD2 4.46Å
416T98.8Very high98.4Very high1 Ų111.4 Ų11.41%0.0065%0.05CC..Hα-helixtrans-66-44.1177-57.60000111.7Y311 W341 I345 V412 L413 A414 G420Y311-T416 HydrophobicContact CD1-CG2 4.29Å; Y311-T416 HydrophobicContact CE1-CG2 3.92Å; W341-T416 HydrophobicContact CZ2-CG2 4.46Å; I345-T416 HydrophobicContact CD1-CG2 3.99Å; V412-T416 WeakPolarHBondContact O-CB 3.2Å; V412-T416 PolarHBondContact O-N 3.46Å; V412-T416 PolarHBondContact O-OG1 3.32Å; L413-T416 PolarHBondContact O-N 2.58Å; A414-T416 VanDerWaalsContact C-N 3.27Å; A414-T416 PolarHBondContact O-N 3.33Å; T416-G420 PolarHBondContact O-N 2.99Å
417I98.8Very high98.6Very high1 Ų118 Ų181%0.0058%0.081CC..Hα-helixtrans-65.1-48.8175.9-63.3175.8000110.4L163 I164 L167 L175 W341 L413 A414 A419 G420 L421L163-I417 HydrophobicContact CB-CB 4.19Å; L163-I417 HydrophobicContact CB-CD1 4.33Å; L163-I417 HydrophobicContact CB-CG2 3.9Å; L163-I417 HydrophobicContact CD2-CG2 4.44Å; I164-I417 HydrophobicContact CG1-CD1 3.67Å; L167-I417 HydrophobicContact CB-CG2 4.45Å; L175-I417 HydrophobicContact CD2-CD1 3.99Å; L175-I417 HydrophobicContact CD2-CG1 4.4Å; W341-I417 HydrophobicContact CH2-CB 4.43Å; W341-I417 HydrophobicContact CH2-CG2 4.35Å; L413-I417 HydrophobicContact CD2-CD1 3.47Å; L413-I417 VanDerWaalsContact CD2-CD1 3.47Å; L413-I417 HydrophobicContact CD2-CG1 4.25Å; L413-I417 HydrophobicContact CG-CD1 4.43Å; L413-I417 WeakPolarHBondContact O-CG1 3.15Å; L413-I417 PolarHBondContact O-N 3.45Å; A414-I417 PolarHBondContact O-N 3.46Å; I417-A419 VanDerWaalsContact C-N 3.35Å; I417-A419 PolarHBondContact O-N 3.37Å; I417-G420 PolarHBondContact O-N 3Å; I417-L421 HydrophobicContact CG2-CD1 3.73Å; I417-L421 HydrophobicContact CG2-CG 3.9Å; I417-L421 WeakPolarHBondContact O-CB 3.4Å; I417-L421 VanDerWaalsContact O-CG 3.26Å; I417-L421 WeakPolarHBondContact O-CG 3.18Å; I417-L421 PolarHBondContact O-N 2.87Å
418A98.8Very high98.6Very high0 Ų019.3 Ų19.30%09%0.088CC..Hα-helixtrans-55.6-49.7-179.400000111.5L163 A414 D422 L465 K468 L469L163-A418 HydrophobicContact CD1-CB 4.11Å; L163-A418 HydrophobicContact CD2-CB 4.34Å; A414-A418 VanDerWaalsContact O-CB 3.31Å; A414-A418 WeakPolarHBondContact O-CB 3.38Å; A414-A418 PolarHBondContact O-N 2.86Å; A418-D422 PolarHBondContact O-N 2.92Å; A418-L465 HydrophobicContact CB-CD1 3.81Å; A418-K468 HydrophobicContact CB-CB 3.72Å; A418-K468 HydrophobicContact CB-CD 4.39Å; A418-K468 WeakPolarHBondContact O-CD 3.28Å; A418-L469 HydrophobicContact CB-CD2 4.12Å; A418-L469 HydrophobicContact CB-CG 4.25Å
419A98.9Very high98.6Very high0 Ų025.7 Ų25.70%011%0.113CC..Hα-helixtrans-65.7-43.1178.500000112.5G344 I345 H348 M352 A415 I417 D422 G423 L465G344-A419 CarbonylContact C-O 3.38Å; G344-A419 VanDerWaalsContact CA-O 3.27Å; G344-A419 WeakPolarHBondContact CA-O 3.46Å; I345-A419 HydrophobicContact CG1-CB 4.31Å; H348-A419 HydrophobicContact CB-CB 3.77Å; M352-A419 HydrophobicContact SD-CB 3.56Å; M352-A419 VanDerWaalsContact SD-CB 3.56Å; A415-A419 VanDerWaalsContact O-CB 3.28Å; A415-A419 WeakPolarHBondContact O-CB 3.43Å; A415-A419 PolarHBondContact O-N 3.24Å; I417-A419 VanDerWaalsContact C-N 3.35Å; I417-A419 PolarHBondContact O-N 3.37Å; A419-D422 PolarHBondContact O-N 2.88Å; A419-G423 PolarHBondContact O-N 2.89Å; A419-G423 VanDerWaalsContact O-N 3.13Å; A419-L465 HydrophobicContact CB-CD1 4.29Å
420G98.8Very high98.6Very high0 Ų026.3 Ų26.30%012%0.116CC..Hα-helixtrans-62-43.7177.400000113.1W341 T416 I417 D422 G423 L424W341-G420 VanDerWaalsContact CD2-CA 3.42Å; W341-G420 VanDerWaalsContact CZ3-C 3.42Å; T416-G420 PolarHBondContact O-N 2.99Å; I417-G420 PolarHBondContact O-N 3Å; G420-D422 VanDerWaalsContact C-N 3.32Å; G420-D422 PolarHBondContact O-N 2.77Å; G420-G423 PolarHBondContact O-N 2.46Å; G420-G423 VanDerWaalsContact O-N 3.16Å; G420-L424 WeakPolarHBondContact O-CG 3.34Å; G420-L424 PolarHBondContact O-N 2.66Å
421L98.7Very high98.4Very high0 Ų027.9 Ų27.90%013%0.127CC..Hα-helixtrans-61.1-39.7176.7-74.9-177.8000112.1L163 E166 L167 Y171 W341 I417 G423 L424 E425L163-L421 HydrophobicContact CD2-CD1 4.37Å; E166-L421 HydrophobicContact CG-CD1 4.15Å; L167-L421 HydrophobicContact CD1-CD2 3.84Å; Y171-L421 HydrophobicContact CD2-CD2 3.6Å; Y171-L421 HydrophobicContact CE1-CD2 4.33Å; Y171-L421 HydrophobicContact CE2-CD1 4.44Å; Y171-L421 HydrophobicContact CE2-CD2 3.4Å; Y171-L421 HydrophobicContact CE2-CG 4.46Å; Y171-L421 HydrophobicContact CG-CD2 4.18Å; W341-L421 HydrophobicContact CZ3-CD2 4.28Å; W341-L421 HydrophobicContact CZ3-CG 4.42Å; I417-L421 HydrophobicContact CG2-CD1 3.73Å; I417-L421 HydrophobicContact CG2-CG 3.9Å; I417-L421 WeakPolarHBondContact O-CB 3.4Å; I417-L421 VanDerWaalsContact O-CG 3.26Å; I417-L421 WeakPolarHBondContact O-CG 3.18Å; I417-L421 PolarHBondContact O-N 2.87Å; L421-G423 VanDerWaalsContact C-N 3.35Å; L421-L424 HydrophobicContact CD2-CD1 4.42Å; L421-L424 PolarHBondContact O-N 3.47Å; L421-E425 WeakPolarHBondContact O-CG 3.4Å; L421-E425 PolarHBondContact O-N 3.4Å
422D98.8Very high98.2Very high3 Ų332.4 Ų32.42%0.01616%0.156CC..Hα-helixtrans-61.7-44.8174177.472.9000111.7H348 A418 A419 G420 L424 E425 R426 I428 I464 K468H348-D422 IonicContact CD2-OD2 3.24Å; H348-D422 IonicContact CE1-OD2 3.29Å; H348-D422 WeakPolarHBondContact NE2-CB 3.43Å; H348-D422 IonicContact NE2-OD2 3Å; H348-D422 PolarHBondContact NE2-OD2 3.36Å; A418-D422 PolarHBondContact O-N 2.92Å; A419-D422 PolarHBondContact O-N 2.88Å; G420-D422 VanDerWaalsContact C-N 3.32Å; G420-D422 PolarHBondContact O-N 2.77Å; D422-L424 VanDerWaalsContact C-N 3.26Å; D422-L424 PolarHBondContact O-N 2.58Å; D422-E425 PolarHBondContact O-N 2.77Å; D422-E425 VanDerWaalsContact O-N 3.14Å; D422-R426 PolarHBondContact O-N 3.22Å; D422-R426 IonicContact OD1-CZ 2.89Å; D422-R426 IonicContact OD1-NE 3.4Å; D422-R426 PolarHBondContact OD1-NE 3.31Å; D422-R426 IonicContact OD1-NH2 3.59Å; D422-R426 IonicContact OD2-CZ 2.77Å; D422-R426 IonicContact OD2-NE 2.84Å; D422-R426 PolarHBondContact OD2-NE 3.18Å; D422-R426 IonicContact OD2-NH2 2.96Å; D422-R426 PolarHBondContact OD2-NH2 3.31Å; D422-I428 VanDerWaalsContact OD2-CD1 3.28Å; D422-I428 WeakPolarHBondContact OD2-CD1 2.9Å; D422-I464 HydrophobicContact CB-CG2 3.98Å; D422-I464 WeakPolarHBondContact OD1-CG2 3.48Å; D422-K468 HydrophobicContact CB-CD 4.13Å
423G98.8Very high98Very high0 Ų034.8 Ų34.80%017%0.173CC..Hα-helixtrans-55.8-40.6174.700000113.1H340 A419 G420 L421 Q427 I428H340-G423 CarbonylContact O-C 3.56Å; H340-G423 VanDerWaalsContact O-CA 3.23Å; H340-G423 WeakPolarHBondContact O-CA 3Å; A419-G423 PolarHBondContact O-N 2.89Å; A419-G423 VanDerWaalsContact O-N 3.13Å; G420-G423 PolarHBondContact O-N 2.46Å; G420-G423 VanDerWaalsContact O-N 3.16Å; L421-G423 VanDerWaalsContact C-N 3.35Å; G423-Q427 VanDerWaalsContact O-CA 3.29Å; G423-Q427 WeakPolarHBondContact O-CA 3.41Å; G423-Q427 PolarHBondContact O-N 2.73Å; G423-I428 PolarHBondContact O-N 3.35Å
424L98.7Very high97.8Very high27 Ų2735.5 Ų35.514%0.14118%0.18CC..Hα-helixtrans-66.3-46.3174.7-61.1-174000112.4Y171 L173 L337 H340 W341 G420 L421 D422Y171-L424 HydrophobicContact CD1-CD1 4.26Å; L173-L424 HydrophobicContact CD1-CD1 4.17Å; L337-L424 HydrophobicContact CD2-CD2 4.31Å; L337-L424 HydrophobicContact CG-CD2 3.83Å; L337-L424 WeakPolarHBondContact O-CD2 3.41Å; H340-L424 HydrophobicContact CB-CD2 3.75Å; W341-L424 HydrophobicContact CE3-CD1 3.94Å; W341-L424 HydrophobicContact CE3-CD2 4.47Å; W341-L424 HydrophobicContact CE3-CG 4.04Å; W341-L424 HydrophobicContact CZ3-CD1 4.16Å; G420-L424 WeakPolarHBondContact O-CG 3.34Å; G420-L424 PolarHBondContact O-N 2.66Å; L421-L424 HydrophobicContact CD2-CD1 4.42Å; L421-L424 PolarHBondContact O-N 3.47Å; D422-L424 VanDerWaalsContact C-N 3.26Å; D422-L424 PolarHBondContact O-N 2.58Å
425E98.4Very high97.5Very high85 Ų8536.9 Ų36.940%0.39719%0.187SC..Hα-helixtrans-66.4-45.8-177.2-74.4174.7168.400112.5K170 Y171 L421 D422 Q427 K468K170-E425 IonicContact NZ-OE1 3.38Å; K170-E425 PolarHBondContact NZ-OE1 2.77Å; Y171-E425 WeakPolarHBondContact OH-CG 2.97Å; Y171-E425 PolarHBondContact OH-OE1 2.95Å; L421-E425 WeakPolarHBondContact O-CG 3.4Å; L421-E425 PolarHBondContact O-N 3.4Å; D422-E425 PolarHBondContact O-N 2.77Å; D422-E425 VanDerWaalsContact O-N 3.14Å; E425-Q427 VanDerWaalsContact C-N 3.33Å; E425-K468 IonicContact OE1-NZ 2.68Å; E425-K468 PolarHBondContact OE1-NZ 3.29Å; E425-K468 WeakPolarHBondContact OE2-CE 3.25Å; E425-K468 IonicContact OE2-NZ 3.07Å; E425-K468 PolarHBondContact OE2-NZ 3.08Å
426R98.5Very high97.2Very high109 Ų10939.2 Ų39.241%0.41120%0.197SC..Hα-helixtrans-88.5-0.6-179.5-66.1-163.5-67.6143.6-8.8113.6E347 D422 I428E347-R426 IonicContact OE1-NH1 3.58Å; E347-R426 IonicContact OE1-NH2 3.46Å; D422-R426 PolarHBondContact O-N 3.22Å; D422-R426 IonicContact OD1-CZ 2.89Å; D422-R426 IonicContact OD1-NE 3.4Å; D422-R426 PolarHBondContact OD1-NE 3.31Å; D422-R426 IonicContact OD1-NH2 3.59Å; D422-R426 IonicContact OD2-CZ 2.77Å; D422-R426 IonicContact OD2-NE 2.84Å; D422-R426 PolarHBondContact OD2-NE 3.18Å; D422-R426 IonicContact OD2-NH2 2.96Å; D422-R426 PolarHBondContact OD2-NH2 3.31Å; R426-I428 VanDerWaalsContact C-N 3.33Å; R426-I428 HydrophobicContact CB-CD1 4.02Å; R426-I428 HydrophobicContact CB-CG1 3.68Å; R426-I428 VanDerWaalsContact CZ-CD1 3.41Å; R426-I428 VanDerWaalsContact NH2-CD1 3.32Å; R426-I428 PolarHBondContact O-N 3.31Å
427Q98.5Very high96.7Very high138 Ų13842.9 Ų42.965%0.64522%0.217SC*.THydrogen-bonded Turntrans54.646-180-59.2-174.7-15.700113.4H340 G423 E425 Y429H340-Q427 VanDerWaalsContact CE1-CA 3.46Å; H340-Q427 WeakPolarHBondContact CE1-CA 3.46Å; H340-Q427 WeakPolarHBondContact CE1-CB 3.46Å; H340-Q427 WeakPolarHBondContact ND1-CA 3.46Å; G423-Q427 VanDerWaalsContact O-CA 3.29Å; G423-Q427 WeakPolarHBondContact O-CA 3.41Å; G423-Q427 PolarHBondContact O-N 2.73Å; E425-Q427 VanDerWaalsContact C-N 3.33Å; Q427-Y429 PolarHBondContact O-N 3.1Å
428I98.6Very high96.3Very high30 Ų3051 Ų5115%0.15426%0.255CS..  trans-78.5111.4-172.2-52.6178.1000109.5H340 G343 E347 D422 G423 R426H340-I428 VanDerWaalsContact CA-O 3.29Å; H340-I428 WeakPolarHBondContact CA-O 3.47Å; G343-I428 WeakPolarHBondContact CA-O 3.29Å; E347-I428 HydrophobicContact CB-CD1 4.37Å; E347-I428 HydrophobicContact CG-CD1 4.33Å; D422-I428 VanDerWaalsContact OD2-CD1 3.28Å; D422-I428 WeakPolarHBondContact OD2-CD1 2.9Å; G423-I428 PolarHBondContact O-N 3.35Å; R426-I428 VanDerWaalsContact C-N 3.33Å; R426-I428 HydrophobicContact CB-CD1 4.02Å; R426-I428 HydrophobicContact CB-CG1 3.68Å; R426-I428 VanDerWaalsContact CZ-CD1 3.41Å; R426-I428 VanDerWaalsContact NH2-CD1 3.32Å; R426-I428 PolarHBondContact O-N 3.31Å
429Y98Very high95.9Very high139 Ų13954.8 Ų54.855%0.54528%0.275SS..PPolyproline II helixtrans-75.7137.1168.9-87.1-96.9000110.8T336 R339 H340 Q427T336-Y429 VanDerWaalsContact CG2-OH 3.32Å; T336-Y429 WeakPolarHBondContact CG2-OH 3.45Å; R339-Y429 HydrophobicContact CB-CD1 4.33Å; R339-Y429 HydrophobicContact CB-CE1 4.26Å; H340-Y429 AromaticContact CD2-CD2 3.91Å; H340-Y429 AromaticContact CD2-CE2 3.68Å; H340-Y429 AromaticContact NE2-CD2 3.64Å; H340-Y429 AromaticContact NE2-CE2 3.06Å; H340-Y429 WeakPolarHBondContact NE2-CE2 3.19Å; H340-Y429 AromaticContact NE2-CZ 3.6Å; Q427-Y429 PolarHBondContact O-N 3.1Å
430P97.3Very high95.4Very high17 Ų1756 Ų5611%0.1128%0.281CS..PPolyproline II helixtrans-71.7156.3172.434.4-31.5000108.4R339 I342 L346 W377R339-P430 HydrophobicContact CB-CG 4.37Å; R339-P430 VanDerWaalsContact O-CD 3.25Å; R339-P430 WeakPolarHBondContact O-CD 3.44Å; I342-P430 HydrophobicContact CB-CB 4.39Å; I342-P430 HydrophobicContact CB-CG 4.37Å; I342-P430 HydrophobicContact CG2-CB 3.86Å; I342-P430 HydrophobicContact CG2-CG 4.23Å; L346-P430 HydrophobicContact CD1-CB 3.86Å; W377-P430 HydrophobicContact CH2-CG 4.47Å; W377-P430 HydrophobicContact CZ2-CB 4.27Å; W377-P430 HydrophobicContact CZ2-CG 3.69Å
431P94.7Very high94.9Very high33 Ų3365.9 Ų65.921%0.21432%0.324CS..PPolyproline II helixtrans-62.4171.3172.531-37.2000111L346 W377 S433 L435 V444L346-P431 HydrophobicContact CD1-CG 4.36Å; W377-P431 PolarHBondContact NE1-O 3.17Å; P431-S433 PolarHBondContact O-N 3.06Å; P431-L435 HydrophobicContact CB-CD1 3.92Å; P431-V444 HydrophobicContact CB-CG1 3.71Å; P431-V444 HydrophobicContact CG-CG1 3.94Å
432P94Very high94.2Very high98 Ų9870.9 Ų70.964%0.63636%0.355SS*.PPolyproline II helixtrans-47.8138.6172.1-28.335.4000112.1L435P432-L435 HydrophobicContact CB-CD1 4.46Å; P432-L435 HydrophobicContact CB-CG 4.45Å; P432-L435 WeakPolarHBondContact O-CG 3.33Å
433S95.2Very high93.5Very high49 Ų4973.2 Ų73.234%0.34338%0.379SS..THydrogen-bonded Turntrans-66.7154.6177.967.20000111.1W377 D378 P431 L435W377-S433 WeakPolarHBondContact O-CA 3.41Å; D378-S433 WeakPolarHBondContact OD1-CB 3.39Å; D378-S433 PolarHBondContact OD1-OG 3.46Å; P431-S433 PolarHBondContact O-N 3.06Å; S433-L435 VanDerWaalsContact C-N 3.26Å; S433-L435 PolarHBondContact O-N 3.34Å
434G93.9Very high92.9Very high15 Ų1576.6 Ų76.616%0.15540%0.4CS..THydrogen-bonded Turntrans76.97.317700000115W377 D378 K436 N439W377-G434 PolarHBondContact O-N 2.95Å; D378-G434 VanDerWaalsContact CG-CA 3.47Å; D378-G434 PolarHBondContact OD1-N 2.72Å; D378-G434 WeakPolarHBondContact OD2-CA 3.47Å; G434-K436 PolarHBondContact O-N 2.85Å; G434-N439 PolarHBondContact O-ND2 3.43Å
435L92.7Very high92.5Very high30 Ų3075.8 Ų75.816%0.15740%0.396CS..  trans-65.2132.2169.3-72.3179.6000110.9N376 P431 P432 S433 N439 D440N376-L435 WeakPolarHBondContact CB-O 3.34Å; N376-L435 PolarHBondContact ND2-O 2.99Å; P431-L435 HydrophobicContact CB-CD1 3.92Å; P432-L435 HydrophobicContact CB-CD1 4.46Å; P432-L435 HydrophobicContact CB-CG 4.45Å; P432-L435 WeakPolarHBondContact O-CG 3.33Å; S433-L435 VanDerWaalsContact C-N 3.26Å; S433-L435 PolarHBondContact O-N 3.34Å; L435-N439 WeakPolarHBondContact CA-OD1 3.36Å; L435-D440 HydrophobicContact CD2-CB 4.3Å
436K91.3Very high92.2Very high48 Ų4878.1 Ų78.121%0.20941%0.405CS..  trans-133.3155.2177-64-176.5-178.4-177.40107.9D381 G434 E438 N439 D440D381-K436 WeakPolarHBondContact OD2-CE 3.25Å; D381-K436 IonicContact OD2-NZ 3.7Å; D381-K436 PolarHBondContact OD2-NZ 3.05Å; G434-K436 PolarHBondContact O-N 2.85Å; K436-E438 HydrophobicContact CB-CG 3.96Å; K436-E438 PolarHBondContact O-N 2.91Å; K436-N439 PolarHBondContact N-OD1 3.42Å; K436-N439 PolarHBondContact O-N 2.81Å; K436-N439 PolarHBondContact O-OD1 3.17Å; K436-D440 WeakPolarHBondContact O-CB 3.43Å; K436-D440 PolarHBondContact O-N 3.03Å
437L89.9Confident92Very high79 Ų7976.7 Ų76.741%0.41441%0.408SS..THydrogen-bonded Turntrans-51.8-35.7-179.4-68.9169.7000112.9C374 C445 V447C374-L437 HydrophobicContact CB-CD1 3.89Å; C374-L437 HydrophobicContact CB-CD2 3.91Å; C374-L437 HydrophobicContact CB-CG 3.69Å; L437-C445 VanDerWaalsContact CD2-O 3.25Å; L437-C445 WeakPolarHBondContact CD2-O 3.33Å; L437-V447 HydrophobicContact CD1-CG2 3.9Å; L437-V447 HydrophobicContact CD2-CG2 3.73Å; L437-V447 HydrophobicContact CG-CG2 4.5Å
438E89.4Confident91.8Very high171 Ų17170.2 Ų70.280%0.79938%0.378SS*.THydrogen-bonded Turntrans-72.8-26.4-18064.2-157.9-160.800114.7K436K436-E438 HydrophobicContact CB-CG 3.96Å; K436-E438 PolarHBondContact O-N 2.91Å
439N91.1Very high91.7Very high80 Ų8069.2 Ų69.243%0.42837%0.374SS..THydrogen-bonded Turntrans-110.7-12.1-176.175.613.1000113.4G434 L435 K436 K441G434-N439 PolarHBondContact O-ND2 3.43Å; L435-N439 WeakPolarHBondContact CA-OD1 3.36Å; K436-N439 PolarHBondContact N-OD1 3.42Å; K436-N439 PolarHBondContact O-N 2.81Å; K436-N439 PolarHBondContact O-OD1 3.17Å; N439-K441 PolarHBondContact O-N 3.32Å
440D88.4Confident91.5Very high24 Ų2465 Ų6513%0.12836%0.361CS..  trans-80.1112.7-178.9-177.420.6000111.9L435 K436 T442 G443 V444 C445L435-D440 HydrophobicContact CD2-CB 4.3Å; K436-D440 WeakPolarHBondContact O-CB 3.43Å; K436-D440 PolarHBondContact O-N 3.03Å; D440-T442 WeakPolarHBondContact OD1-CA 3.25Å; D440-T442 WeakPolarHBondContact OD1-CB 3.43Å; D440-T442 PolarHBondContact OD1-N 3.37Å; D440-T442 PolarHBondContact OD1-OG1 2.96Å; D440-G443 PolarHBondContact OD1-N 3.45Å; D440-G443 WeakPolarHBondContact OD2-CA 3.4Å; D440-G443 PolarHBondContact OD2-N 2.72Å; D440-G443 VanDerWaalsContact OD2-N 3.12Å; D440-V444 PolarHBondContact OD2-N 3.03Å; D440-C445 HydrophobicContact CB-CB 3.86Å; D440-C445 VanDerWaalsContact OD2-CB 3.27Å; D440-C445 WeakPolarHBondContact OD2-CB 3.42Å; D440-C445 PolarHBondContact OD2-N 3.5Å
441K87.5Confident91.4Very high209 Ų20965.8 Ų65.891%0.90937%0.365SS*.SBendtrans-92.9-8.5174.5-61-176.3-177.3179.20113.4N439N439-K441 PolarHBondContact O-N 3.32Å
442T84.9Confident91.4Very high105 Ų10564.2 Ų64.264%0.64436%0.355SS*.SBendtrans-93-22.9-173.968.40000112.7D440 V444D440-T442 WeakPolarHBondContact OD1-CA 3.25Å; D440-T442 WeakPolarHBondContact OD1-CB 3.43Å; D440-T442 PolarHBondContact OD1-N 3.37Å; D440-T442 PolarHBondContact OD1-OG1 2.96Å; T442-V444 VanDerWaalsContact C-N 3.3Å; T442-V444 VanDerWaalsContact OG1-CG2 3.28Å; T442-V444 WeakPolarHBondContact OG1-CG2 3.43Å; T442-V444 PolarHBondContact OG1-N 2.87Å
443G84.7Confident91.5Very high51 Ų5162.1 Ų62.153%0.52634%0.336SS..SBendtrans77.614.8-176.700000113.7D440D440-G443 PolarHBondContact OD1-N 3.45Å; D440-G443 WeakPolarHBondContact OD2-CA 3.4Å; D440-G443 PolarHBondContact OD2-N 2.72Å; D440-G443 VanDerWaalsContact OD2-N 3.12Å
444V85.3Confident91.6Very high72 Ų7263.7 Ų63.744%0.43634%0.338SS..  trans-75.2-34.6176.6177.30000110.8P431 D440 T442 K446P431-V444 HydrophobicContact CB-CG1 3.71Å; P431-V444 HydrophobicContact CG-CG1 3.94Å; D440-V444 PolarHBondContact OD2-N 3.03Å; T442-V444 VanDerWaalsContact C-N 3.3Å; T442-V444 VanDerWaalsContact OG1-CG2 3.28Å; T442-V444 WeakPolarHBondContact OG1-CG2 3.43Å; T442-V444 PolarHBondContact OG1-N 2.87Å; V444-K446 PolarHBondContact O-N 3.06Å
445C90.1Very high91.8Very high9 Ų963 Ų636%0.06133%0.331CS..SBendtrans-74.794.6174.3-167.70000109.7C374 V375 L437 D440C374-C445 PolarHBondContact SG-SG 3.35Å; V375-C445 PolarHBondContact O-SG 3Å; L437-C445 VanDerWaalsContact CD2-O 3.25Å; L437-C445 WeakPolarHBondContact CD2-O 3.33Å; D440-C445 HydrophobicContact CB-CB 3.86Å; D440-C445 VanDerWaalsContact OD2-CB 3.27Å; D440-C445 WeakPolarHBondContact OD2-CB 3.42Å; D440-C445 PolarHBondContact OD2-N 3.5Å
446K91.5Very high92.1Very high135 Ų13561.7 Ų61.759%0.58732%0.324SS*.PPolyproline II helixtrans-87.7144.1-178.9-65.5175.9-174.8169.90111.3C374 V375 V444C374-K446 CarbonylContact C-O 3.58Å; C374-K446 WeakPolarHBondContact CA-O 3.39Å; C374-K446 WeakPolarHBondContact CB-O 3.39Å; V375-K446 HydrophobicContact CG2-CB 4.35Å; V375-K446 PolarHBondContact N-O 3.21Å; V444-K446 PolarHBondContact O-N 3.06Å
447V94.1Very high92.4Very high78 Ų7867.5 Ų67.547%0.47335%0.345SS..BIsolated β-bridgetrans-64.5136.7171.3-173.80000109.3L437L437-V447 HydrophobicContact CD1-CG2 3.9Å; L437-V447 HydrophobicContact CD2-CG2 3.73Å; L437-V447 HydrophobicContact CG-CG2 4.5Å
448L95.7Very high92.8Very high2 Ų265.5 Ų65.51%0.0134%0.337CS..PPolyproline II helixtrans-69.7154.2174.3-73.8170.2000111.3L349 L353 H367 P372 S373 V375 I402 N450L349-L448 HydrophobicContact CB-CD2 4.5Å; L349-L448 HydrophobicContact CD2-CD2 4.09Å; L349-L448 HydrophobicContact CG-CD2 4.07Å; L353-L448 HydrophobicContact CD2-CB 4.16Å; H367-L448 PolarHBondContact CE1-O 3Å; H367-L448 PolarHBondContact NE2-O 2.54Å; P372-L448 HydrophobicContact CB-CD1 4.11Å; S373-L448 PolarHBondContact O-N 3.11Å; S373-L448 VanDerWaalsContact O-N 3.08Å; V375-L448 HydrophobicContact CG2-CD2 3.92Å; I402-L448 HydrophobicContact CD1-CD1 3.47Å; I402-L448 VanDerWaalsContact CD1-CD1 3.47Å; L448-N450 PolarHBondContact O-N 3.49Å
449P96.1Very high93.2Very high10 Ų1057.3 Ų57.37%0.06530%0.299CS..PPolyproline II helixtrans-53.5132.1172.7-25.731.5000112.7P350 L353 Q454 A455P350-P449 HydrophobicContact CB-CG 4.07Å; L353-P449 HydrophobicContact CD2-CB 3.93Å; L353-P449 HydrophobicContact CD2-CG 4.03Å; L353-P449 WeakPolarHBondContact CD2-O 3.01Å; P449-Q454 HydrophobicContact CB-CB 3.76Å; P449-A455 HydrophobicContact CB-CB 3.95Å; P449-A455 HydrophobicContact CG-CB 4.25Å
450N93.7Very high93.5Very high51 Ų5155.7 Ų55.727%0.27329%0.292SS..SBendtrans-87.7-11.9-177.4-70.8-85.9000113Y363 H367 L448Y363-N450 WeakPolarHBondContact CB-O 3.49Å; H367-N450 PolarHBondContact CD2-OD1 3.12Å; H367-N450 VanDerWaalsContact CD2-OD1 3.23Å; H367-N450 PolarHBondContact NE2-OD1 2.67Å; L448-N450 PolarHBondContact O-N 3.49Å
451T95Very high94Very high32 Ų3260.1 Ų60.120%0.19632%0.316CS..SBendtrans-140.2158179.574.40000111.4Y363 Q453 Q454 A455Y363-T451 VanDerWaalsContact CD1-C 3.47Å; Y363-T451 WeakPolarHBondContact CE1-O 3.48Å; T451-Q453 VanDerWaalsContact CB-OE1 3.27Å; T451-Q453 PolarHBondContact O-N 3.13Å; T451-Q453 PolarHBondContact OG1-OE1 3.23Å; T451-Q454 PolarHBondContact O-N 3.34Å; T451-Q454 VanDerWaalsContact O-N 3.13Å; T451-Q454 PolarHBondContact OG1-N 3.37Å; T451-A455 PolarHBondContact O-N 3.23Å
452I95.7Very high94.5Very high1 Ų151.5 Ų51.51%0.00528%0.28CS..Hα-helixtrans-60.3-33.8175.8-164.3174.6000111.8P358 V360 Y363 Q454 A455 L456 K481 L486P358-I452 VanDerWaalsContact O-CD1 3.23Å; P358-I452 WeakPolarHBondContact O-CD1 3.2Å; V360-I452 HydrophobicContact CG2-CG2 3.87Å; Y363-I452 HydrophobicContact CD2-CB 3.9Å; Y363-I452 HydrophobicContact CE2-CB 3.32Å; Y363-I452 HydrophobicContact CE2-CG1 3.83Å; I452-Q454 PolarHBondContact O-N 3.13Å; I452-A455 PolarHBondContact O-N 3.09Å; I452-L456 HydrophobicContact CG1-CD1 4.1Å; I452-L456 HydrophobicContact CG1-CG 4.19Å; I452-L456 WeakPolarHBondContact O-CB 3.4Å; I452-L456 VanDerWaalsContact O-CG 3.24Å; I452-L456 WeakPolarHBondContact O-CG 3.1Å; I452-L456 PolarHBondContact O-N 3.24Å; I452-K481 HydrophobicContact CD1-CD 4.46Å; I452-K481 HydrophobicContact CD1-CG 4.49Å; I452-L486 HydrophobicContact CG2-CD1 4.35Å; I452-L486 HydrophobicContact CG2-CD2 3.5Å; I452-L486 VanDerWaalsContact CG2-CD2 3.5Å; I452-L486 HydrophobicContact CG2-CG 4.15Å
453Q96.4Very high95.2Very high53 Ų5352.3 Ų52.325%0.24827%0.274CS..Hα-helixtrans-63.4-42176.7-6187.1-21.800111.4T451 R457 L486 G490T451-Q453 VanDerWaalsContact CB-OE1 3.27Å; T451-Q453 PolarHBondContact O-N 3.13Å; T451-Q453 PolarHBondContact OG1-OE1 3.23Å; Q453-R457 VanDerWaalsContact O-CG 3.31Å; Q453-R457 WeakPolarHBondContact O-CG 3.34Å; Q453-R457 PolarHBondContact O-N 3.08Å; Q453-R457 VanDerWaalsContact O-N 3.15Å; Q453-L486 HydrophobicContact CG-CD1 3.92Å; Q453-L486 HydrophobicContact CG-CD2 3.91Å; Q453-G490 PolarHBondContact NE2-O 3.38Å
454Q96.6Very high95.9Very high82 Ų8252.8 Ų52.838%0.38326%0.264SS..Hα-helixtrans-66.5-44.1176-69.7175.90.100110.7P449 T451 I452 L456 R457 S458P449-Q454 HydrophobicContact CB-CB 3.76Å; T451-Q454 PolarHBondContact O-N 3.34Å; T451-Q454 VanDerWaalsContact O-N 3.13Å; T451-Q454 PolarHBondContact OG1-N 3.37Å; I452-Q454 PolarHBondContact O-N 3.13Å; Q454-L456 PolarHBondContact O-N 3.23Å; Q454-R457 WeakPolarHBondContact O-CB 3.23Å; Q454-R457 PolarHBondContact O-N 3.35Å; Q454-S458 PolarHBondContact O-N 3.3Å; Q454-S458 PolarHBondContact O-OG 3.04Å
455A97.7Very high96.5Very high0 Ų049.4 Ų49.40%024%0.244CC..Hα-helixtrans-64.7-40.6178.800000112.5L353 A354 Y363 P449 T451 I452 R457 S458 L459L353-A455 HydrophobicContact CB-CB 4.34Å; A354-A455 HydrophobicContact CB-CB 3.81Å; Y363-A455 HydrophobicContact CE1-CB 4.05Å; Y363-A455 WeakPolarHBondContact OH-CB 3.23Å; P449-A455 HydrophobicContact CB-CB 3.95Å; P449-A455 HydrophobicContact CG-CB 4.25Å; T451-A455 PolarHBondContact O-N 3.23Å; I452-A455 PolarHBondContact O-N 3.09Å; A455-R457 VanDerWaalsContact C-N 3.29Å; A455-R457 PolarHBondContact O-N 3.45Å; A455-S458 CarbonylContact O-C 3.58Å; A455-S458 WeakPolarHBondContact O-CB 3.3Å; A455-S458 PolarHBondContact O-N 2.91Å; A455-L459 PolarHBondContact O-N 2.89Å
456L98.2Very high96.9Very high4 Ų449.9 Ų49.92%0.02125%0.246CC..Hα-helixtrans-64-33.9175.3-73.3169.2000112.1A354 I452 Q454 T460 Y477 I478 K481 L486A354-L456 HydrophobicContact CB-CD2 4.22Å; I452-L456 HydrophobicContact CG1-CD1 4.1Å; I452-L456 HydrophobicContact CG1-CG 4.19Å; I452-L456 WeakPolarHBondContact O-CB 3.4Å; I452-L456 VanDerWaalsContact O-CG 3.24Å; I452-L456 WeakPolarHBondContact O-CG 3.1Å; I452-L456 PolarHBondContact O-N 3.24Å; Q454-L456 PolarHBondContact O-N 3.23Å; L456-T460 WeakPolarHBondContact O-CB 3.31Å; L456-T460 PolarHBondContact O-N 2.94Å; L456-T460 PolarHBondContact O-OG1 3Å; L456-Y477 HydrophobicContact CD2-CD1 4.37Å; L456-Y477 HydrophobicContact CD2-CE1 4.15Å; L456-I478 HydrophobicContact CD2-CG1 4.18Å; L456-K481 HydrophobicContact CD1-CB 3.79Å; L456-K481 HydrophobicContact CD2-CB 4.06Å; L456-K481 HydrophobicContact CD2-CG 4.24Å; L456-L486 HydrophobicContact CD1-CD1 3.71Å
457R98.2Very high97.2Very high170 Ų17049 Ų4964%0.64225%0.248SC*.Hα-helixtrans-65.3-48.5170.6-70.5170.8-170.1179.33110.5Q453 Q454 A455 L459 T460 D461Q453-R457 VanDerWaalsContact O-CG 3.31Å; Q453-R457 WeakPolarHBondContact O-CG 3.34Å; Q453-R457 PolarHBondContact O-N 3.08Å; Q453-R457 VanDerWaalsContact O-N 3.15Å; Q454-R457 WeakPolarHBondContact O-CB 3.23Å; Q454-R457 PolarHBondContact O-N 3.35Å; A455-R457 VanDerWaalsContact C-N 3.29Å; A455-R457 PolarHBondContact O-N 3.45Å; R457-L459 VanDerWaalsContact C-N 3.29Å; R457-L459 PolarHBondContact O-N 2.92Å; R457-T460 WeakPolarHBondContact O-CB 3.5Å; R457-T460 PolarHBondContact O-N 3.09Å; R457-D461 WeakPolarHBondContact O-CB 3.41Å; R457-D461 VanDerWaalsContact O-CG 3.28Å; R457-D461 PolarHBondContact O-N 3.35Å
458S98.2Very high97.4Very high36 Ų3646.4 Ų46.425%0.25223%0.231SC..Hα-helixtrans-55.2-43.6174.4-61.20000112.2Q454 A455 D461 D462Q454-S458 PolarHBondContact O-N 3.3Å; Q454-S458 PolarHBondContact O-OG 3.04Å; A455-S458 CarbonylContact O-C 3.58Å; A455-S458 WeakPolarHBondContact O-CB 3.3Å; A455-S458 PolarHBondContact O-N 2.91Å; S458-D461 PolarHBondContact O-N 3.04Å; S458-D462 WeakPolarHBondContact O-CB 3.36Å; S458-D462 PolarHBondContact O-N 3.27Å
459L98.6Very high97.5Very high0 Ų046.4 Ų46.40%023%0.23CC..Hα-helixtrans-62.6-43.1174.1178.561.6000112.4A351 A354 I355 A455 R457 D461 D462 L465 V466 L469 V474 Y477 I478A351-L459 HydrophobicContact CB-CB 4.37Å; A351-L459 HydrophobicContact CB-CD1 4.4Å; A354-L459 HydrophobicContact CB-CB 4.08Å; A354-L459 HydrophobicContact CB-CD2 4.08Å; I355-L459 HydrophobicContact CD1-CD1 4.15Å; I355-L459 HydrophobicContact CG1-CD2 4.31Å; A455-L459 PolarHBondContact O-N 2.89Å; R457-L459 VanDerWaalsContact C-N 3.29Å; R457-L459 PolarHBondContact O-N 2.92Å; L459-D461 VanDerWaalsContact C-N 3.3Å; L459-D461 PolarHBondContact O-N 3.26Å; L459-D462 PolarHBondContact O-N 3.32Å; L459-L465 HydrophobicContact CD1-CD2 4.04Å; L459-V466 WeakPolarHBondContact O-CG2 3.2Å; L459-L469 HydrophobicContact CD1-CD1 4.47Å; L459-V474 HydrophobicContact CD2-CG1 4.31Å; L459-V474 HydrophobicContact CG-CG1 4.21Å; L459-Y477 HydrophobicContact CD2-CD1 4.05Å; L459-Y477 HydrophobicContact CD2-CE1 4.37Å; L459-I478 HydrophobicContact CD2-CG1 4.45Å
460T98.1Very high97.6Very high45 Ų4546.9 Ų46.928%0.27624%0.237SC..Hα-helixtrans-64.2-38.5178.6-56.80000111.5L456 R457 K463 I478L456-T460 WeakPolarHBondContact O-CB 3.31Å; L456-T460 PolarHBondContact O-N 2.94Å; L456-T460 PolarHBondContact O-OG1 3Å; R457-T460 WeakPolarHBondContact O-CB 3.5Å; R457-T460 PolarHBondContact O-N 3.09Å; T460-K463 WeakPolarHBondContact O-CE 3.39Å; T460-K463 PolarHBondContact O-NZ 2.98Å; T460-I478 WeakPolarHBondContact OG1-CD1 3.37Å
461D98.3Very high97.8Very high117 Ų11747.2 Ų47.263%0.62625%0.247SC*.Hα-helixtrans-79.1-25.1-175.8-66.8-21.2000112.6R457 S458 L459 K463R457-D461 WeakPolarHBondContact O-CB 3.41Å; R457-D461 VanDerWaalsContact O-CG 3.28Å; R457-D461 PolarHBondContact O-N 3.35Å; S458-D461 PolarHBondContact O-N 3.04Å; L459-D461 VanDerWaalsContact C-N 3.3Å; L459-D461 PolarHBondContact O-N 3.26Å; D461-K463 VanDerWaalsContact C-N 3.34Å; D461-K463 PolarHBondContact O-N 3.08Å
462D98.6Very high97.7Very high28 Ų2849.3 Ų49.315%0.1526%0.257CS..  trans-78.375.8178.4-166.3-24.2000112.8H348 A351 S458 L459 I464 L465 V466H348-D462 IonicContact CE1-OD1 3.81Å; H348-D462 PolarHBondContact CE1-OD1 3.33Å; H348-D462 IonicContact CE1-OD2 3.96Å; H348-D462 IonicContact CG-OD2 2.91Å; H348-D462 VanDerWaalsContact ND1-CG 3.29Å; H348-D462 IonicContact ND1-OD1 3.85Å; H348-D462 PolarHBondContact ND1-OD1 3.45Å; H348-D462 VanDerWaalsContact ND1-OD1 3.16Å; H348-D462 IonicContact ND1-OD2 3.79Å; H348-D462 PolarHBondContact ND1-OD2 2.7Å; A351-D462 HydrophobicContact CB-CB 3.72Å; A351-D462 WeakPolarHBondContact CB-OD2 3.46Å; S458-D462 WeakPolarHBondContact O-CB 3.36Å; S458-D462 PolarHBondContact O-N 3.27Å; L459-D462 PolarHBondContact O-N 3.32Å; D462-I464 PolarHBondContact O-N 2.84Å; D462-I464 VanDerWaalsContact O-N 3.14Å; D462-L465 HydrophobicContact CB-CB 4.14Å; D462-L465 VanDerWaalsContact CG-CB 3.43Å; D462-L465 PolarHBondContact O-N 3.24Å; D462-L465 WeakPolarHBondContact OD1-CB 3.31Å; D462-L465 PolarHBondContact OD1-N 3.01Å; D462-V466 VanDerWaalsContact O-CG2 3.31Å; D462-V466 WeakPolarHBondContact O-CG2 3.11Å; D462-V466 PolarHBondContact O-N 3.42Å
463K98.4Very high97.8Very high123 Ų12349.3 Ų49.354%0.53526%0.257SS..Hα-helixtrans-59.5-29-175.6-55-50.2179.6-171.80113.7T460 D461 N467T460-K463 WeakPolarHBondContact O-CE 3.39Å; T460-K463 PolarHBondContact O-NZ 2.98Å; D461-K463 VanDerWaalsContact C-N 3.34Å; D461-K463 PolarHBondContact O-N 3.08Å; K463-N467 WeakPolarHBondContact O-CB 3.27Å; K463-N467 PolarHBondContact O-N 3.13Å; K463-N467 PolarHBondContact O-ND2 2.9Å
464I98.6Very high97.9Very high60 Ų6047 Ų4731%0.30825%0.247SC..Hα-helixtrans-68.9-52.3178.3-65.5177.4000109.3D422 D462 V466 N467 K468D422-I464 HydrophobicContact CB-CG2 3.98Å; D422-I464 WeakPolarHBondContact OD1-CG2 3.48Å; D462-I464 PolarHBondContact O-N 2.84Å; D462-I464 VanDerWaalsContact O-N 3.14Å; I464-V466 VanDerWaalsContact C-N 3.3Å; I464-V466 PolarHBondContact O-N 3.36Å; I464-N467 PolarHBondContact O-N 3.29Å; I464-K468 PolarHBondContact O-N 2.53Å
465L98.6Very high97.9Very high1 Ų146.1 Ų46.11%0.00525%0.245CC..Hα-helixtrans-62.2-41178.5-170.768.1000111H348 A351 M352 A418 A419 L459 D462 N467 K468 L469H348-L465 HydrophobicContact CB-CD1 4.38Å; H348-L465 HydrophobicContact CB-CD2 4.35Å; A351-L465 HydrophobicContact CB-CD2 3.64Å; M352-L465 HydrophobicContact CG-CD2 4.04Å; A418-L465 HydrophobicContact CB-CD1 3.81Å; A419-L465 HydrophobicContact CB-CD1 4.29Å; L459-L465 HydrophobicContact CD1-CD2 4.04Å; D462-L465 HydrophobicContact CB-CB 4.14Å; D462-L465 VanDerWaalsContact CG-CB 3.43Å; D462-L465 PolarHBondContact O-N 3.24Å; D462-L465 WeakPolarHBondContact OD1-CB 3.31Å; D462-L465 PolarHBondContact OD1-N 3.01Å; L465-N467 PolarHBondContact O-N 3.47Å; L465-K468 PolarHBondContact O-N 3.17Å; L465-L469 HydrophobicContact CD1-CD1 4.25Å; L465-L469 HydrophobicContact CD1-CG 4.36Å; L465-L469 HydrophobicContact CD2-CD1 4.27Å; L465-L469 HydrophobicContact CG-CD1 3.8Å; L465-L469 HydrophobicContact CG-CG 4.31Å; L465-L469 WeakPolarHBondContact O-CB 3.3Å; L465-L469 WeakPolarHBondContact O-CG 3.3Å; L465-L469 PolarHBondContact O-N 2.98Å
466V98.6Very high97.9Very high20 Ų2046.2 Ų46.212%0.12125%0.245CC..Hα-helixtrans-58.2-49.1175.9172.50000111.9L459 D462 I464 K468 L469 G470 V474L459-V466 WeakPolarHBondContact O-CG2 3.2Å; D462-V466 VanDerWaalsContact O-CG2 3.31Å; D462-V466 WeakPolarHBondContact O-CG2 3.11Å; D462-V466 PolarHBondContact O-N 3.42Å; I464-V466 VanDerWaalsContact C-N 3.3Å; I464-V466 PolarHBondContact O-N 3.36Å; V466-K468 VanDerWaalsContact C-N 3.33Å; V466-K468 PolarHBondContact O-N 3.15Å; V466-L469 PolarHBondContact O-N 3.19Å; V466-G470 CarbonylContact O-C 3.42Å; V466-G470 PolarHBondContact O-N 3.32Å; V466-V474 HydrophobicContact CB-CG2 4.4Å; V466-V474 HydrophobicContact CG1-CB 4.12Å; V466-V474 HydrophobicContact CG1-CG1 4.21Å; V466-V474 HydrophobicContact CG1-CG2 4.17Å; V466-V474 HydrophobicContact CG2-CB 4.49Å; V466-V474 HydrophobicContact CG2-CG1 3.9Å; V466-V474 HydrophobicContact CG2-CG2 4.28Å
467N98.2Very high97.9Very high117 Ų11746.1 Ų46.163%0.62624%0.244SC*.Hα-helixtrans-63.9-40.3179.3-71.9-19.1000111.7K463 I464 L465 G470K463-N467 WeakPolarHBondContact O-CB 3.27Å; K463-N467 PolarHBondContact O-N 3.13Å; K463-N467 PolarHBondContact O-ND2 2.9Å; I464-N467 PolarHBondContact O-N 3.29Å; L465-N467 PolarHBondContact O-N 3.47Å; N467-G470 PolarHBondContact O-N 2.87Å
468K98.2Very high97.9Very high23 Ų2338.7 Ų38.710%0.122%0.217CC..Hα-helixtrans-69-37.5178.7-76.1-169.5178.2-67.80113R162 A418 D422 E425 I464 L465 V466R162-K468 VanDerWaalsContact CZ-O 3.32Å; R162-K468 PolarHBondContact NH1-O 3.01Å; R162-K468 VanDerWaalsContact NH1-O 3.08Å; R162-K468 PolarHBondContact NH2-O 2.96Å; A418-K468 HydrophobicContact CB-CB 3.72Å; A418-K468 HydrophobicContact CB-CD 4.39Å; A418-K468 WeakPolarHBondContact O-CD 3.28Å; D422-K468 HydrophobicContact CB-CD 4.13Å; E425-K468 IonicContact OE1-NZ 2.68Å; E425-K468 PolarHBondContact OE1-NZ 3.29Å; E425-K468 WeakPolarHBondContact OE2-CE 3.25Å; E425-K468 IonicContact OE2-NZ 3.07Å; E425-K468 PolarHBondContact OE2-NZ 3.08Å; I464-K468 PolarHBondContact O-N 2.53Å; L465-K468 PolarHBondContact O-N 3.17Å; V466-K468 VanDerWaalsContact C-N 3.33Å; V466-K468 PolarHBondContact O-N 3.15Å
469L98.5Very high97.8Very high1 Ų139.1 Ų39.11%0.00522%0.215CC..Hα-helixtrans-74.6-27.7175.3-72.6172.3000112.8V159 R162 L163 I355 A414 A415 A418 L459 L465 V466 F473 V474V159-L469 HydrophobicContact CG1-CD2 4.31Å; V159-L469 WeakPolarHBondContact CG1-O 3.18Å; R162-L469 PolarHBondContact NH2-O 2.91Å; L163-L469 HydrophobicContact CD1-CD2 4.21Å; I355-L469 HydrophobicContact CD1-CD1 3.42Å; I355-L469 VanDerWaalsContact CD1-CD1 3.42Å; A414-L469 HydrophobicContact CB-CD2 3.98Å; A415-L469 HydrophobicContact CB-CD2 4.46Å; A418-L469 HydrophobicContact CB-CD2 4.12Å; A418-L469 HydrophobicContact CB-CG 4.25Å; L459-L469 HydrophobicContact CD1-CD1 4.47Å; L465-L469 HydrophobicContact CD1-CD1 4.25Å; L465-L469 HydrophobicContact CD1-CG 4.36Å; L465-L469 HydrophobicContact CD2-CD1 4.27Å; L465-L469 HydrophobicContact CG-CD1 3.8Å; L465-L469 HydrophobicContact CG-CG 4.31Å; L465-L469 WeakPolarHBondContact O-CB 3.3Å; L465-L469 WeakPolarHBondContact O-CG 3.3Å; L465-L469 PolarHBondContact O-N 2.98Å; V466-L469 PolarHBondContact O-N 3.19Å; L469-F473 HydrophobicContact CB-CD1 3.98Å; L469-F473 HydrophobicContact CB-CE1 4.4Å; L469-F473 HydrophobicContact CD1-CE1 4.26Å; L469-V474 HydrophobicContact CB-CG2 4.02Å; L469-V474 HydrophobicContact CD1-CG2 4.27Å
470G97.9Very high97.7Very high21 Ų2139.1 Ų39.122%0.21622%0.215CC..  trans103.7124.8-175.700000110.3V466 N467 D472 F473 V474V466-G470 CarbonylContact O-C 3.42Å; V466-G470 PolarHBondContact O-N 3.32Å; N467-G470 PolarHBondContact O-N 2.87Å; G470-D472 VanDerWaalsContact C-N 3.28Å; G470-D472 PolarHBondContact O-N 3.48Å; G470-F473 PolarHBondContact O-N 3.4Å; G470-V474 PolarHBondContact O-N 3.5Å; G470-V474 VanDerWaalsContact O-N 3.11Å
471A96.4Very high97.7Very high57 Ų5737 Ų3747%0.47120%0.202SC..Hα-helixtrans-60.5-37.9-17500000112.5V474 D475A471-V474 PolarHBondContact O-N 3.39Å; A471-D475 WeakPolarHBondContact O-CB 3.33Å; A471-D475 PolarHBondContact O-N 3.25Å
472D94.1Very high97.5Very high76 Ų7636.1 Ų36.141%0.40619%0.193SC..Hα-helixtrans-61.9-46.9178.1-56.7-26.2000111.2G470 V474 D475 W476G470-D472 VanDerWaalsContact C-N 3.28Å; G470-D472 PolarHBondContact O-N 3.48Å; D472-V474 PolarHBondContact O-N 2.86Å; D472-D475 PolarHBondContact O-N 2.86Å; D472-W476 PolarHBondContact O-N 2.86Å
473F97.7Very high97.3Very high1 Ų138.4 Ų38.40%0.00421%0.205CC..Hα-helixtrans-57.9-49.6175.5165.4-107.1000111.6V159 H411 L469 G470 D475 W476 Y477V159-F473 HydrophobicContact CG1-CD1 4.48Å; V159-F473 HydrophobicContact CG2-CB 3.76Å; V159-F473 HydrophobicContact CG2-CD1 4.48Å; V159-F473 HydrophobicContact CG2-CD2 3.97Å; V159-F473 HydrophobicContact CG2-CG 3.78Å; H411-F473 HydrophobicContact CB-CZ 4.49Å; H411-F473 AromaticContact CD2-CE2 3.62Å; H411-F473 AromaticContact CD2-CZ 3.64Å; H411-F473 AromaticContact CE1-CE2 3.59Å; H411-F473 AromaticContact CE1-CZ 3.88Å; H411-F473 AromaticContact CG-CZ 3.86Å; H411-F473 AromaticContact ND1-CZ 3.99Å; H411-F473 AromaticContact NE2-CE2 3.21Å; H411-F473 WeakPolarHBondContact NE2-CE2 3.26Å; H411-F473 AromaticContact NE2-CZ 3.68Å; L469-F473 HydrophobicContact CB-CD1 3.98Å; L469-F473 HydrophobicContact CB-CE1 4.4Å; L469-F473 HydrophobicContact CD1-CE1 4.26Å; G470-F473 PolarHBondContact O-N 3.4Å; F473-D475 PolarHBondContact O-N 3.34Å; F473-W476 PolarHBondContact O-N 2.77Å; F473-Y477 HydrophobicContact CE2-CD2 4.27Å; F473-Y477 HydrophobicContact CZ-CD2 4.06Å; F473-Y477 HydrophobicContact CZ-CG 4.34Å; F473-Y477 VanDerWaalsContact O-CB 3.28Å; F473-Y477 WeakPolarHBondContact O-CB 3.26Å; F473-Y477 PolarHBondContact O-N 3.15Å
474V98.2Very high97.1Very high6 Ų632.5 Ų32.54%0.03618%0.179CC..Hα-helixtrans-65.5-39.9-177.3174.50000111.5L459 V466 L469 G470 A471 D472 Y477 I478L459-V474 HydrophobicContact CD2-CG1 4.31Å; L459-V474 HydrophobicContact CG-CG1 4.21Å; V466-V474 HydrophobicContact CB-CG2 4.4Å; V466-V474 HydrophobicContact CG1-CB 4.12Å; V466-V474 HydrophobicContact CG1-CG1 4.21Å; V466-V474 HydrophobicContact CG1-CG2 4.17Å; V466-V474 HydrophobicContact CG2-CB 4.49Å; V466-V474 HydrophobicContact CG2-CG1 3.9Å; V466-V474 HydrophobicContact CG2-CG2 4.28Å; L469-V474 HydrophobicContact CB-CG2 4.02Å; L469-V474 HydrophobicContact CD1-CG2 4.27Å; G470-V474 PolarHBondContact O-N 3.5Å; G470-V474 VanDerWaalsContact O-N 3.11Å; A471-V474 PolarHBondContact O-N 3.39Å; D472-V474 PolarHBondContact O-N 2.86Å; V474-Y477 PolarHBondContact O-N 3.28Å; V474-I478 HydrophobicContact CG1-CD1 3.61Å; V474-I478 HydrophobicContact CG1-CG1 4.22Å; V474-I478 WeakPolarHBondContact O-CB 3.25Å; V474-I478 VanDerWaalsContact O-CG1 3.26Å; V474-I478 WeakPolarHBondContact O-CG1 3.3Å; V474-I478 PolarHBondContact O-N 3.3Å
475D96.8Very high96.8Very high63 Ų6329.7 Ų29.734%0.33717%0.165SC..Hα-helixtrans-60-53.6175.1-178.956.1000110.3A471 D472 F473 Y477 I478 Q479A471-D475 WeakPolarHBondContact O-CB 3.33Å; A471-D475 PolarHBondContact O-N 3.25Å; D472-D475 PolarHBondContact O-N 2.86Å; F473-D475 PolarHBondContact O-N 3.34Å; D475-Y477 VanDerWaalsContact C-N 3.31Å; D475-Y477 PolarHBondContact O-N 3.02Å; D475-I478 PolarHBondContact O-N 3.28Å; D475-I478 VanDerWaalsContact O-N 3.17Å; D475-Q479 VanDerWaalsContact O-CG 3.3Å; D475-Q479 WeakPolarHBondContact O-CG 3.44Å; D475-Q479 PolarHBondContact O-N 3.3Å; D475-Q479 PolarHBondContact OD1-NE2 2.73Å
476W97.4Very high96.6Very high2 Ų231 Ų311%0.00817%0.172CC..Hα-helixtrans-58.1-45179.5-71.241.9000111.6I45 I74 A75 I85 E87 V88 W146 V152 A154 D472 F473 I478 Q479 V480I45-W476 HydrophobicContact CD1-CB 3.43Å; I45-W476 VanDerWaalsContact CD1-CB 3.43Å; I45-W476 HydrophobicContact CD1-CD2 4.41Å; I45-W476 HydrophobicContact CD1-CE3 3.86Å; I45-W476 HydrophobicContact CD1-CG 4.34Å; I74-W476 HydrophobicContact CD1-CE3 4.26Å; I74-W476 HydrophobicContact CD1-CH2 4.3Å; I74-W476 HydrophobicContact CD1-CZ3 3.61Å; I74-W476 HydrophobicContact CG1-CE3 4.21Å; I74-W476 HydrophobicContact CG1-CZ3 3.56Å; A75-W476 HydrophobicContact CB-CE3 3.73Å; A75-W476 HydrophobicContact CB-CZ3 4.01Å; I85-W476 HydrophobicContact CD1-CB 4.4Å; I85-W476 HydrophobicContact CD1-CG 4.47Å; I85-W476 HydrophobicContact CG1-CD2 4.44Å; I85-W476 HydrophobicContact CG1-CE3 4.37Å; I85-W476 HydrophobicContact CG2-CD2 3.52Å; I85-W476 HydrophobicContact CG2-CE3 4.11Å; I85-W476 HydrophobicContact CG2-CG 3.77Å; I85-W476 HydrophobicContact CG2-CH2 4.35Å; I85-W476 HydrophobicContact CG2-CZ2 3.82Å; I85-W476 HydrophobicContact CG2-CZ3 4.45Å; E87-W476 HydrophobicContact CB-CZ2 4.11Å; E87-W476 HydrophobicContact CG-CZ2 4.45Å; E87-W476 WeakPolarHBondContact OE2-CZ2 3.4Å; E87-W476 PolarHBondContact OE2-NE1 3.24Å; V88-W476 HydrophobicContact CG2-CH2 3.41Å; V88-W476 VanDerWaalsContact CG2-CH2 3.41Å; V88-W476 HydrophobicContact CG2-CZ2 3.81Å; V88-W476 HydrophobicContact CG2-CZ3 4.04Å; W146-W476 HydrophobicContact CH2-CH2 4.1Å; W146-W476 HydrophobicContact CH2-CZ2 4.26Å; W146-W476 HydrophobicContact CZ2-CH2 4.22Å; W146-W476 HydrophobicContact CZ2-CZ2 4.1Å; V152-W476 HydrophobicContact CG1-CH2 3.94Å; V152-W476 HydrophobicContact CG1-CZ2 4.37Å; V152-W476 HydrophobicContact CG1-CZ3 4.42Å; A154-W476 HydrophobicContact CB-CB 4.02Å; A154-W476 HydrophobicContact CB-CD2 3.35Å; A154-W476 HydrophobicContact CB-CE3 3.76Å; A154-W476 HydrophobicContact CB-CG 3.51Å; A154-W476 HydrophobicContact CB-CZ2 4.32Å; A154-W476 HydrophobicContact CB-CZ3 4.43Å; D472-W476 PolarHBondContact O-N 2.86Å; F473-W476 PolarHBondContact O-N 2.77Å; W476-I478 PolarHBondContact O-N 3.22Å; W476-Q479 PolarHBondContact O-N 2.85Å; W476-V480 WeakPolarHBondContact O-CG2 3.44Å; W476-V480 PolarHBondContact O-N 3.1Å
477Y98Very high96.3Very high1 Ų132.8 Ų32.80%0.00419%0.185CC..Hα-helixtrans-57-49.6177.2-173-93.1000111.6I45 A354 I355 P358 L456 L459 F473 V474 D475 Q479 V480 K481I45-Y477 HydrophobicContact CG2-CD2 3.84Å; I45-Y477 HydrophobicContact CG2-CE2 4.48Å; A354-Y477 PolarHBondContact O-OH 2.82Å; I355-Y477 HydrophobicContact CG1-CE1 4.47Å; P358-Y477 WeakPolarHBondContact CB-OH 3.44Å; L456-Y477 HydrophobicContact CD2-CD1 4.37Å; L456-Y477 HydrophobicContact CD2-CE1 4.15Å; L459-Y477 HydrophobicContact CD2-CD1 4.05Å; L459-Y477 HydrophobicContact CD2-CE1 4.37Å; F473-Y477 HydrophobicContact CE2-CD2 4.27Å; F473-Y477 HydrophobicContact CZ-CD2 4.06Å; F473-Y477 HydrophobicContact CZ-CG 4.34Å; F473-Y477 VanDerWaalsContact O-CB 3.28Å; F473-Y477 WeakPolarHBondContact O-CB 3.26Å; F473-Y477 PolarHBondContact O-N 3.15Å; V474-Y477 PolarHBondContact O-N 3.28Å; D475-Y477 VanDerWaalsContact C-N 3.31Å; D475-Y477 PolarHBondContact O-N 3.02Å; Y477-Q479 PolarHBondContact O-N 3.13Å; Y477-V480 PolarHBondContact O-N 3.29Å; Y477-K481 HydrophobicContact CD1-CG 4.2Å; Y477-K481 HydrophobicContact CE1-CG 3.79Å; Y477-K481 WeakPolarHBondContact O-CG 3.35Å; Y477-K481 PolarHBondContact O-N 3.49Å
478I97.4Very high95.9Very high14 Ų1427.7 Ų27.77%0.07216%0.158CC..Hα-helixtrans-63.3-40.8178.8-72.5172.3000111.2L456 L459 T460 V474 D475 W476 K481 K482L456-I478 HydrophobicContact CD2-CG1 4.18Å; L459-I478 HydrophobicContact CD2-CG1 4.45Å; T460-I478 WeakPolarHBondContact OG1-CD1 3.37Å; V474-I478 HydrophobicContact CG1-CD1 3.61Å; V474-I478 HydrophobicContact CG1-CG1 4.22Å; V474-I478 WeakPolarHBondContact O-CB 3.25Å; V474-I478 VanDerWaalsContact O-CG1 3.26Å; V474-I478 WeakPolarHBondContact O-CG1 3.3Å; V474-I478 PolarHBondContact O-N 3.3Å; D475-I478 PolarHBondContact O-N 3.28Å; D475-I478 VanDerWaalsContact O-N 3.17Å; W476-I478 PolarHBondContact O-N 3.22Å; I478-K481 PolarHBondContact O-N 3.48Å; I478-K482 HydrophobicContact CG2-CD 3.63Å; I478-K482 VanDerWaalsContact CG2-CE 3.46Å; I478-K482 HydrophobicContact CG2-CG 4.17Å; I478-K482 VanDerWaalsContact O-CB 3.3Å; I478-K482 WeakPolarHBondContact O-CB 3.22Å; I478-K482 WeakPolarHBondContact O-CG 3.24Å; I478-K482 PolarHBondContact O-N 3.15Å
479Q96.7Very high95.7Very high46 Ų4626.6 Ų26.622%0.21515%0.154CC..Hα-helixtrans-63.2-44.7177.4-65.5-56.2-23.300111.3V83 I85 D475 W476 Y477 K481 K482 N483V83-Q479 HydrophobicContact CG1-CB 4.2Å; I85-Q479 HydrophobicContact CD1-CB 3.61Å; I85-Q479 HydrophobicContact CD1-CG 4.26Å; D475-Q479 VanDerWaalsContact O-CG 3.3Å; D475-Q479 WeakPolarHBondContact O-CG 3.44Å; D475-Q479 PolarHBondContact O-N 3.3Å; D475-Q479 PolarHBondContact OD1-NE2 2.73Å; W476-Q479 PolarHBondContact O-N 2.85Å; Y477-Q479 PolarHBondContact O-N 3.13Å; Q479-K481 VanDerWaalsContact C-N 3.35Å; Q479-K481 PolarHBondContact O-N 2.86Å; Q479-K482 PolarHBondContact O-N 2.95Å; Q479-N483 VanDerWaalsContact O-CB 3.29Å; Q479-N483 WeakPolarHBondContact O-CB 3.27Å; Q479-N483 PolarHBondContact O-N 3.46Å; Q479-N483 PolarHBondContact O-ND2 3.15Å; Q479-N483 PolarHBondContact OE1-ND2 3.33Å
480V97.2Very high95.4Very high0 Ų027.9 Ų27.90%017%0.167CC..Hα-helixtrans-59.5-47.2176.4172.10000110.4I45 N46 A75 F76 I85 W476 Y477 K482 G484I45-V480 HydrophobicContact CB-CG2 4.38Å; I45-V480 HydrophobicContact CD1-CG2 4.29Å; I45-V480 HydrophobicContact CG2-CB 3.87Å; I45-V480 HydrophobicContact CG2-CG1 3.99Å; I45-V480 HydrophobicContact CG2-CG2 3.86Å; N46-V480 WeakPolarHBondContact OD1-CG1 3.42Å; A75-V480 HydrophobicContact CB-CG2 3.91Å; A75-V480 WeakPolarHBondContact O-CG2 3.5Å; F76-V480 WeakPolarHBondContact O-CG1 3.43Å; I85-V480 HydrophobicContact CD1-CG2 4.41Å; W476-V480 WeakPolarHBondContact O-CG2 3.44Å; W476-V480 PolarHBondContact O-N 3.1Å; Y477-V480 PolarHBondContact O-N 3.29Å; V480-K482 PolarHBondContact O-N 3.07Å; V480-G484 WeakPolarHBondContact O-CA 3.43Å; V480-G484 PolarHBondContact O-N 3.34Å
481K97Very high94.9Very high0 Ų032.8 Ų32.80%018%0.184CC..Iπ-helixtrans-68.3-37.6179.6-61.3-43.6-176-178.20113.8N46 P358 I452 L456 Y477 I478 Q479 D485 L486N46-K481 PolarHBondContact OD1-NZ 2.67Å; P358-K481 WeakPolarHBondContact O-CE 3.33Å; P358-K481 PolarHBondContact O-NZ 3.24Å; P358-K481 VanDerWaalsContact O-NZ 3.1Å; I452-K481 HydrophobicContact CD1-CD 4.46Å; I452-K481 HydrophobicContact CD1-CG 4.49Å; L456-K481 HydrophobicContact CD1-CB 3.79Å; L456-K481 HydrophobicContact CD2-CB 4.06Å; L456-K481 HydrophobicContact CD2-CG 4.24Å; Y477-K481 HydrophobicContact CD1-CG 4.2Å; Y477-K481 HydrophobicContact CE1-CG 3.79Å; Y477-K481 WeakPolarHBondContact O-CG 3.35Å; Y477-K481 PolarHBondContact O-N 3.49Å; I478-K481 PolarHBondContact O-N 3.48Å; Q479-K481 VanDerWaalsContact C-N 3.35Å; Q479-K481 PolarHBondContact O-N 2.86Å; K481-D485 HydrophobicContact CD-CB 4.5Å; K481-D485 VanDerWaalsContact CD-OD2 3.3Å; K481-D485 WeakPolarHBondContact CD-OD2 3.16Å; K481-D485 IonicContact NZ-OD1 3.23Å; K481-D485 PolarHBondContact NZ-OD1 2.58Å; K481-D485 IonicContact NZ-OD2 2.7Å; K481-D485 PolarHBondContact NZ-OD2 2.92Å; K481-L486 VanDerWaalsContact O-CB 3.25Å; K481-L486 WeakPolarHBondContact O-CB 3.31Å; K481-L486 VanDerWaalsContact O-CG 3.3Å; K481-L486 WeakPolarHBondContact O-CG 3.41Å; K481-L486 PolarHBondContact O-N 2.95Å
482K95.6Very high94.6Very high98 Ų9831.2 Ų31.243%0.42617%0.168SC..Iπ-helixtrans-74.1-44.8-180-76.5179.6179.5167.20112.7I478 Q479 V480 L486 S487I478-K482 HydrophobicContact CG2-CD 3.63Å; I478-K482 VanDerWaalsContact CG2-CE 3.46Å; I478-K482 HydrophobicContact CG2-CG 4.17Å; I478-K482 VanDerWaalsContact O-CB 3.3Å; I478-K482 WeakPolarHBondContact O-CB 3.22Å; I478-K482 WeakPolarHBondContact O-CG 3.24Å; I478-K482 PolarHBondContact O-N 3.15Å; Q479-K482 PolarHBondContact O-N 2.95Å; V480-K482 PolarHBondContact O-N 3.07Å; K482-L486 HydrophobicContact CG-CD1 4.47Å; K482-S487 PolarHBondContact O-N 2.78Å
483N94.6Very high94.3Very high76 Ų7631 Ų3141%0.40617%0.166SC..Iπ-helixtrans-99.7-12.5-170.8-54.9-42.7000113.3V83 Q479 S487V83-N483 HydrophobicContact CG1-CB 3.89Å; V83-N483 HydrophobicContact CG2-CB 4.44Å; Q479-N483 VanDerWaalsContact O-CB 3.29Å; Q479-N483 WeakPolarHBondContact O-CB 3.27Å; Q479-N483 PolarHBondContact O-N 3.46Å; Q479-N483 PolarHBondContact O-ND2 3.15Å; Q479-N483 PolarHBondContact OE1-ND2 3.33Å; N483-S487 WeakPolarHBondContact O-CB 2.96Å; N483-S487 PolarHBondContact O-OG 3.3Å; N483-S487 VanDerWaalsContact O-OG 3.07Å
484G92.9Very high93.9Very high0 Ų031.5 Ų31.50%017%0.169CC..Iπ-helixtrans-97.4-94.1165.700000109.9E81 V480 L486 S487 S488E81-G484 WeakPolarHBondContact OE1-CA 3.28Å; V480-G484 WeakPolarHBondContact O-CA 3.43Å; V480-G484 PolarHBondContact O-N 3.34Å; G484-L486 PolarHBondContact O-N 3.45Å; G484-S487 WeakPolarHBondContact O-CB 3.16Å; G484-S487 PolarHBondContact O-N 3.24Å; G484-S487 PolarHBondContact O-OG 2.75Å; G484-S488 PolarHBondContact O-N 3.36Å
485D93.1Very high93.3Very high0 Ų036.9 Ų36.90%019%0.194CC..Iπ-helixtrans-48.7-51-171.8-51.7-136.3000113.5K481 S488 L489K481-D485 HydrophobicContact CD-CB 4.5Å; K481-D485 VanDerWaalsContact CD-OD2 3.3Å; K481-D485 WeakPolarHBondContact CD-OD2 3.16Å; K481-D485 IonicContact NZ-OD1 3.23Å; K481-D485 PolarHBondContact NZ-OD1 2.58Å; K481-D485 IonicContact NZ-OD2 2.7Å; K481-D485 PolarHBondContact NZ-OD2 2.92Å; D485-S488 PolarHBondContact O-OG 3.07Å; D485-L489 WeakPolarHBondContact O-CB 3.42Å; D485-L489 PolarHBondContact O-N 2.96Å
486L94.5Very high92.9Very high29 Ų2938.2 Ų38.215%0.15220%0.201CC..Hα-helixtrans-80-16.8-176.5-70.7178.2000113.6V360 I452 Q453 L456 K481 K482 G484 S488 G490V360-L486 HydrophobicContact CG2-CD2 4.17Å; I452-L486 HydrophobicContact CG2-CD1 4.35Å; I452-L486 HydrophobicContact CG2-CD2 3.5Å; I452-L486 VanDerWaalsContact CG2-CD2 3.5Å; I452-L486 HydrophobicContact CG2-CG 4.15Å; Q453-L486 HydrophobicContact CG-CD1 3.92Å; Q453-L486 HydrophobicContact CG-CD2 3.91Å; L456-L486 HydrophobicContact CD1-CD1 3.71Å; K481-L486 VanDerWaalsContact O-CB 3.25Å; K481-L486 WeakPolarHBondContact O-CB 3.31Å; K481-L486 VanDerWaalsContact O-CG 3.3Å; K481-L486 WeakPolarHBondContact O-CG 3.41Å; K481-L486 PolarHBondContact O-N 2.95Å; K482-L486 HydrophobicContact CG-CD1 4.47Å; G484-L486 PolarHBondContact O-N 3.45Å; L486-S488 VanDerWaalsContact C-N 3.29Å; L486-G490 WeakPolarHBondContact O-CA 3.28Å; L486-G490 PolarHBondContact O-N 3.45Å
487S92.5Very high92.3Very high57 Ų5741.7 Ų41.740%0.39922%0.22SC..Hα-helixtrans-70.6-31.9175.382.60000111.4K482 N483 G484K482-S487 PolarHBondContact O-N 2.78Å; N483-S487 WeakPolarHBondContact O-CB 2.96Å; N483-S487 PolarHBondContact O-OG 3.3Å; N483-S487 VanDerWaalsContact O-OG 3.07Å; G484-S487 WeakPolarHBondContact O-CB 3.16Å; G484-S487 PolarHBondContact O-N 3.24Å; G484-S487 PolarHBondContact O-OG 2.75Å
488S90.1Very high91.9Very high10 Ų1044.3 Ų44.37%0.0724%0.236CC..Hα-helixtrans-95.8-43.3177.761.40000112P198 G484 D485 L486 H491 E508P198-S488 WeakPolarHBondContact CB-O 3.38Å; G484-S488 PolarHBondContact O-N 3.36Å; D485-S488 PolarHBondContact O-OG 3.07Å; L486-S488 VanDerWaalsContact C-N 3.29Å; S488-H491 PolarHBondContact O-CE1 2.99Å; S488-H491 PolarHBondContact O-ND1 2.8Å; S488-E508 WeakPolarHBondContact CB-OE1 3.44Å; S488-E508 VanDerWaalsContact OG-CD 3.29Å; S488-E508 PolarHBondContact OG-OE1 3.18Å
489L93.5Very high91.6Very high0 Ų045.5 Ų45.50%024%0.241CC..Hα-helixtrans-107.6-3.4-172.3-59.4173.1000114.7P198 V360 D485 H491 L492 E505 E508 Y509P198-L489 HydrophobicContact CB-CD2 4.45Å; P198-L489 HydrophobicContact CG-CD2 3.91Å; V360-L489 HydrophobicContact CB-CB 4.46Å; V360-L489 HydrophobicContact CB-CD1 4.31Å; V360-L489 HydrophobicContact CG2-CB 3.95Å; V360-L489 HydrophobicContact CG2-CD1 4.35Å; D485-L489 WeakPolarHBondContact O-CB 3.42Å; D485-L489 PolarHBondContact O-N 2.96Å; L489-H491 PolarHBondContact O-N 3.21Å; L489-L492 HydrophobicContact CB-CD1 4.16Å; L489-L492 HydrophobicContact CD2-CD1 3.44Å; L489-L492 VanDerWaalsContact CD2-CD1 3.44Å; L489-L492 HydrophobicContact CD2-CG 4.45Å; L489-L492 HydrophobicContact CG-CD1 4.36Å; L489-L492 WeakPolarHBondContact O-CB 3.1Å; L489-L492 PolarHBondContact O-N 3.47Å; L489-E505 HydrophobicContact CD1-CG 4.28Å; L489-E508 HydrophobicContact CD1-CB 3.87Å; L489-E508 HydrophobicContact CD1-CG 3.68Å; L489-E508 HydrophobicContact CD2-CG 3.95Å; L489-E508 HydrophobicContact CG-CG 3.85Å; L489-Y509 HydrophobicContact CD1-CD2 4.35Å; L489-Y509 HydrophobicContact CD1-CE2 3.33Å; L489-Y509 VanDerWaalsContact CD1-CZ 3.48Å; L489-Y509 VanDerWaalsContact CD1-OH 3.25Å; L489-Y509 WeakPolarHBondContact CD1-OH 3.25Å
490G91Very high91.1Very high28 Ų2847.7 Ų47.729%0.28925%0.251SS..THydrogen-bonded Turntrans-66-13.7-172.300000115.2Q453 L486Q453-G490 PolarHBondContact NE2-O 3.38Å; L486-G490 WeakPolarHBondContact O-CA 3.28Å; L486-G490 PolarHBondContact O-N 3.45Å
491H88.4Confident90.8Very high125 Ų12548.1 Ų48.158%0.57925%0.254SS*.THydrogen-bonded Turntrans-85.5-16.9174.968.6-86000113.2S488 L489S488-H491 PolarHBondContact O-CE1 2.99Å; S488-H491 PolarHBondContact O-ND1 2.8Å; L489-H491 PolarHBondContact O-N 3.21Å
492L89.5Confident90.6Very high23 Ų2348.1 Ų48.112%0.1225%0.254CS..  trans-73.9137.3-178-61-179.2000111.1L489 T501 Y504 E505L489-L492 HydrophobicContact CB-CD1 4.16Å; L489-L492 HydrophobicContact CD2-CD1 3.44Å; L489-L492 VanDerWaalsContact CD2-CD1 3.44Å; L489-L492 HydrophobicContact CD2-CG 4.45Å; L489-L492 HydrophobicContact CG-CD1 4.36Å; L489-L492 WeakPolarHBondContact O-CB 3.1Å; L489-L492 PolarHBondContact O-N 3.47Å; L492-T501 HydrophobicContact CD2-CG2 4.31Å; L492-Y504 HydrophobicContact CD1-CD2 4.43Å; L492-Y504 HydrophobicContact CD2-CD2 3.99Å; L492-E505 HydrophobicContact CD1-CG 4.32Å
493N89.2Confident90.4Very high71 Ų7143.5 Ų43.538%0.3823%0.234SC..  trans-97.2106.5165.6179.116.6000109.3H495 D496N493-H495 PolarHBondContact O-N 3Å; N493-H495 WeakPolarHBondContact OD1-CB 3.22Å; N493-H495 PolarHBondContact OD1-CD2 3.47Å; N493-H495 PolarHBondContact OD1-N 2.85Å; N493-H495 VanDerWaalsContact OD1-N 3.17Å; N493-D496 PolarHBondContact ND2-OD1 3.31Å; N493-D496 WeakPolarHBondContact O-CB 3.46Å; N493-D496 PolarHBondContact O-N 2.78Å
494I88Confident90.3Very high13 Ų1340.8 Ų40.87%0.06722%0.218CC..G310 helixtrans-58.5-23.5-179.862.5173.5000112.9V360 Y363 R364 D496 N497V360-I494 HydrophobicContact CG1-CG2 3.53Å; Y363-I494 VanDerWaalsContact CB-CD1 3.49Å; R364-I494 HydrophobicContact CG-CB 4.13Å; R364-I494 HydrophobicContact CG-CG2 4.44Å; R364-I494 PolarHBondContact NH1-O 3.07Å; I494-D496 VanDerWaalsContact C-N 3.29Å; I494-D496 PolarHBondContact O-N 3.44Å; I494-N497 PolarHBondContact O-N 3.05Å
495H86.6Confident90.3Very high119 Ų11940.8 Ų40.855%0.55122%0.218SC*.G310 helixtrans-77.2-12.3179.4-57.9-63000113.8N493 N497N493-H495 PolarHBondContact O-N 3Å; N493-H495 WeakPolarHBondContact OD1-CB 3.22Å; N493-H495 PolarHBondContact OD1-CD2 3.47Å; N493-H495 PolarHBondContact OD1-N 2.85Å; N493-H495 VanDerWaalsContact OD1-N 3.17Å; H495-N497 PolarHBondContact O-N 3.37Å
496D87.1Confident90.4Very high91 Ų9140.8 Ų40.849%0.48722%0.218SC..G310 helixtrans-63.6-28.3171.4-63.8-9.9000110.5N493 I494 T498 T501N493-D496 PolarHBondContact ND2-OD1 3.31Å; N493-D496 WeakPolarHBondContact O-CB 3.46Å; N493-D496 PolarHBondContact O-N 2.78Å; I494-D496 VanDerWaalsContact C-N 3.29Å; I494-D496 PolarHBondContact O-N 3.44Å; D496-T498 VanDerWaalsContact C-N 3.28Å; D496-T498 HydrophobicContact CB-CG2 4.33Å; D496-T498 WeakPolarHBondContact O-CG2 3.49Å; D496-T498 PolarHBondContact O-N 3.29Å; D496-T501 HydrophobicContact CB-CG2 4.33Å
497N86Confident90.2Very high74 Ų7441.6 Ų41.640%0.39622%0.22SC..  trans51.942.7170-153.956.5000113.4L302 R364 I494 H495L302-N497 WeakPolarHBondContact CD1-O 3.38Å; L302-N497 WeakPolarHBondContact CD2-OD1 3.48Å; R364-N497 PolarHBondContact NH1-OD1 3.44Å; I494-N497 PolarHBondContact O-N 3.05Å; H495-N497 PolarHBondContact O-N 3.37Å
498T89.5Confident90.3Very high56 Ų5639.3 Ų39.334%0.34420%0.203SC..  trans-104153.1178.970.30000111.9D496 E500 T501 L502D496-T498 VanDerWaalsContact C-N 3.28Å; D496-T498 HydrophobicContact CB-CG2 4.33Å; D496-T498 WeakPolarHBondContact O-CG2 3.49Å; D496-T498 PolarHBondContact O-N 3.29Å; T498-E500 PolarHBondContact O-N 2.77Å; T498-T501 PolarHBondContact N-OG1 3.09Å; T498-T501 PolarHBondContact O-N 3.29Å; T498-T501 PolarHBondContact O-OG1 2.94Å; T498-T501 WeakPolarHBondContact OG1-CG2 3.14Å; T498-T501 PolarHBondContact OG1-N 3.28Å; T498-T501 PolarHBondContact OG1-OG1 3.2Å; T498-L502 PolarHBondContact O-N 3.4Å; T498-L502 VanDerWaalsContact O-N 3.09Å
499E89.7Confident90.4Very high39 Ų3938.9 Ų38.918%0.18220%0.199CC..Hα-helixtrans-63.2-25.9176.6-77.4-63.215700112.3K211 L302 A503 R506K211-E499 WeakPolarHBondContact CE-OE1 3.35Å; K211-E499 IonicContact NZ-OE1 2.77Å; K211-E499 PolarHBondContact NZ-OE1 2.86Å; L302-E499 HydrophobicContact CD1-CG 3.91Å; L302-E499 WeakPolarHBondContact CD1-OE1 3.2Å; E499-A503 VanDerWaalsContact O-CB 3.31Å; E499-A503 WeakPolarHBondContact O-CB 3.37Å; E499-A503 PolarHBondContact O-N 2.95Å; E499-R506 PolarHBondContact O-NH2 3.36Å; E499-R506 IonicContact OE2-CZ 3.76Å; E499-R506 IonicContact OE2-NH1 2.81Å; E499-R506 PolarHBondContact OE2-NH1 3.19Å; E499-R506 IonicContact OE2-NH2 3.24Å; E499-R506 PolarHBondContact OE2-NH2 2.89Å
500E87.4Confident90.4Very high92 Ų9239 Ų3943%0.4320%0.2SC..Hα-helixtrans-65.7-52.4174.1-175-177.9-179.400111.4L196 L209 T498 L502 A503 Y504L196-E500 HydrophobicContact CD1-CG 4.05Å; L209-E500 HydrophobicContact CD1-CB 4.46Å; T498-E500 PolarHBondContact O-N 2.77Å; E500-L502 PolarHBondContact O-N 2.64Å; E500-A503 WeakPolarHBondContact O-CB 3.29Å; E500-A503 PolarHBondContact O-N 3.3Å; E500-Y504 HydrophobicContact CG-CE2 4.01Å; E500-Y504 WeakPolarHBondContact O-CD2 3.11Å; E500-Y504 PolarHBondContact O-N 2.97Å
501T89.8Confident90.2Very high10 Ų1041.4 Ų41.46%0.06121%0.206CC..Hα-helixtrans-59.3-38.9176.459.20000111.4R364 L492 D496 T498 A503 Y504 E505R364-T501 PolarHBondContact NH2-OG1 2.85Å; L492-T501 HydrophobicContact CD2-CG2 4.31Å; D496-T501 HydrophobicContact CB-CG2 4.33Å; T498-T501 PolarHBondContact N-OG1 3.09Å; T498-T501 PolarHBondContact O-N 3.29Å; T498-T501 PolarHBondContact O-OG1 2.94Å; T498-T501 WeakPolarHBondContact OG1-CG2 3.14Å; T498-T501 PolarHBondContact OG1-N 3.28Å; T498-T501 PolarHBondContact OG1-OG1 3.2Å; T501-A503 VanDerWaalsContact C-N 3.35Å; T501-Y504 PolarHBondContact O-N 3.05Å; T501-E505 PolarHBondContact O-N 3.28Å
502L92.7Very high89.9Confident0 Ų037.5 Ų37.50%019%0.187CC..Hα-helixtrans-71.1-29177.6-171.858.8000112.7M297 T299 P300 L302 T498 E500 Y504 E505 R506M297-L502 HydrophobicContact CE-CD1 3.89Å; T299-L502 VanDerWaalsContact O-CD1 3.31Å; T299-L502 WeakPolarHBondContact O-CD1 3.21Å; P300-L502 WeakPolarHBondContact O-CD2 3.32Å; L302-L502 HydrophobicContact CB-CD2 4.46Å; L302-L502 HydrophobicContact CD2-CB 4.14Å; L302-L502 HydrophobicContact CD2-CD2 3.75Å; L302-L502 HydrophobicContact CD2-CG 4.47Å; L302-L502 HydrophobicContact CG-CB 4.43Å; L302-L502 HydrophobicContact CG-CD2 3.6Å; T498-L502 PolarHBondContact O-N 3.4Å; T498-L502 VanDerWaalsContact O-N 3.09Å; E500-L502 PolarHBondContact O-N 2.64Å; L502-Y504 VanDerWaalsContact C-N 3.35Å; L502-E505 HydrophobicContact CD1-CB 4.33Å; L502-E505 PolarHBondContact O-N 3.01Å; L502-R506 HydrophobicContact CG-CG 4.48Å; L502-R506 VanDerWaalsContact O-CB 3.22Å; L502-R506 WeakPolarHBondContact O-CB 3.19Å; L502-R506 WeakPolarHBondContact O-CG 3.4Å; L502-R506 PolarHBondContact O-N 3Å
503A92Very high89.4Confident0 Ų036.4 Ų36.40%018%0.182CC..Hα-helixtrans-64.9-37.8175.400000112.2S194 L196 L209 E499 E500 T501 R506 Y507S194-A503 WeakPolarHBondContact O-CA 3.21Å; S194-A503 VanDerWaalsContact O-CB 3.28Å; S194-A503 WeakPolarHBondContact O-CB 3.35Å; L196-A503 HydrophobicContact CB-CB 4.27Å; L196-A503 HydrophobicContact CD1-CB 4.37Å; L196-A503 HydrophobicContact CG-CB 4.01Å; L196-A503 PolarHBondContact N-O 2.81Å; L209-A503 HydrophobicContact CD1-CB 4Å; L209-A503 HydrophobicContact CD2-CB 4.07Å; E499-A503 VanDerWaalsContact O-CB 3.31Å; E499-A503 WeakPolarHBondContact O-CB 3.37Å; E499-A503 PolarHBondContact O-N 2.95Å; E500-A503 WeakPolarHBondContact O-CB 3.29Å; E500-A503 PolarHBondContact O-N 3.3Å; T501-A503 VanDerWaalsContact C-N 3.35Å; A503-R506 PolarHBondContact O-N 3.33Å; A503-Y507 PolarHBondContact O-N 2.98Å
504Y92.2Very high89.4Confident19 Ų1934.7 Ų34.78%0.07517%0.172CC..Hα-helixtrans-65.8-45.2172.8-67.8-57.7000112.1L196 E197 P198 L492 E500 T501 L502 R506 Y507 E508L196-Y504 HydrophobicContact CB-CD1 3.55Å; L196-Y504 HydrophobicContact CB-CE1 3.35Å; L196-Y504 HydrophobicContact CB-CG 4.33Å; L196-Y504 HydrophobicContact CD1-CE1 4.19Å; L196-Y504 HydrophobicContact CD1-CE2 4.34Å; L196-Y504 HydrophobicContact CG-CE1 4.42Å; L196-Y504 VanDerWaalsContact O-CD1 3.26Å; L196-Y504 WeakPolarHBondContact O-CD1 3.34Å; E197-Y504 VanDerWaalsContact O-CE1 3.26Å; E197-Y504 WeakPolarHBondContact O-CE1 3.48Å; P198-Y504 HydrophobicContact CB-CD1 4.1Å; P198-Y504 HydrophobicContact CG-CD1 3.98Å; L492-Y504 HydrophobicContact CD1-CD2 4.43Å; L492-Y504 HydrophobicContact CD2-CD2 3.99Å; E500-Y504 HydrophobicContact CG-CE2 4.01Å; E500-Y504 WeakPolarHBondContact O-CD2 3.11Å; E500-Y504 PolarHBondContact O-N 2.97Å; T501-Y504 PolarHBondContact O-N 3.05Å; L502-Y504 VanDerWaalsContact C-N 3.35Å; Y504-R506 VanDerWaalsContact C-N 3.3Å; Y504-R506 PolarHBondContact O-N 3.4Å; Y504-Y507 WeakPolarHBondContact O-CB 3.37Å; Y504-Y507 PolarHBondContact O-N 2.75Å; Y504-E508 WeakPolarHBondContact O-CG 3.39Å; Y504-E508 PolarHBondContact O-N 2.96Å
505E94.2Very high89.5Confident0 Ų035.8 Ų35.80%018%0.178CC..Hα-helixtrans-63.9-38.7175.1-70.6169.7-133.700112.1M297 N361 R364 L489 L492 T501 L502 E508 Y509M297-E505 HydrophobicContact CE-CB 3.81Å; N361-E505 VanDerWaalsContact CA-OE2 3.26Å; N361-E505 WeakPolarHBondContact CA-OE2 3.31Å; N361-E505 HydrophobicContact CB-CB 4.41Å; N361-E505 VanDerWaalsContact CB-OE2 3.27Å; N361-E505 WeakPolarHBondContact CB-OE2 3.43Å; N361-E505 PolarHBondContact ND2-OE2 3.35Å; R364-E505 WeakPolarHBondContact CD-OE2 3.41Å; R364-E505 IonicContact CZ-OE1 3.14Å; R364-E505 IonicContact CZ-OE2 3Å; R364-E505 IonicContact NE-OE1 3.59Å; R364-E505 PolarHBondContact NE-OE1 2.85Å; R364-E505 IonicContact NE-OE2 2.99Å; R364-E505 PolarHBondContact NE-OE2 3.46Å; R364-E505 IonicContact NH2-OE1 2.64Å; R364-E505 PolarHBondContact NH2-OE1 3.31Å; L489-E505 HydrophobicContact CD1-CG 4.28Å; L492-E505 HydrophobicContact CD1-CG 4.32Å; T501-E505 PolarHBondContact O-N 3.28Å; L502-E505 HydrophobicContact CD1-CB 4.33Å; L502-E505 PolarHBondContact O-N 3.01Å; E505-E508 PolarHBondContact O-N 3.03Å; E505-Y509 HydrophobicContact CB-CD2 4.26Å; E505-Y509 HydrophobicContact CB-CE2 4.43Å; E505-Y509 WeakPolarHBondContact O-CD2 3.37Å; E505-Y509 PolarHBondContact O-N 2.83Å
506R93.7Very high89.7Confident0 Ų031.2 Ų31.20%016%0.157CC..Hα-helixtrans-58.2-53.9174.7-92.7-168.4-58.8-105.50.5109.1Y191 S194 M297 P300 E499 L502 A503 Y504 E508 Y509 F510Y191-R506 HydrophobicContact CE2-CB 3.69Å; Y191-R506 HydrophobicContact CE2-CG 3.99Å; Y191-R506 PolarHBondContact OH-O 3.17Å; S194-R506 PolarHBondContact O-NE 3.24Å; S194-R506 PolarHBondContact O-NH2 3.01Å; S194-R506 VanDerWaalsContact O-NH2 3.15Å; M297-R506 HydrophobicContact CE-CB 4.47Å; M297-R506 HydrophobicContact CE-CG 3.92Å; M297-R506 HydrophobicContact SD-CG 3.94Å; P300-R506 PolarHBondContact O-NH1 3.31Å; E499-R506 PolarHBondContact O-NH2 3.36Å; E499-R506 IonicContact OE2-CZ 3.76Å; E499-R506 IonicContact OE2-NH1 2.81Å; E499-R506 PolarHBondContact OE2-NH1 3.19Å; E499-R506 IonicContact OE2-NH2 3.24Å; E499-R506 PolarHBondContact OE2-NH2 2.89Å; L502-R506 HydrophobicContact CG-CG 4.48Å; L502-R506 VanDerWaalsContact O-CB 3.22Å; L502-R506 WeakPolarHBondContact O-CB 3.19Å; L502-R506 WeakPolarHBondContact O-CG 3.4Å; L502-R506 PolarHBondContact O-N 3Å; A503-R506 PolarHBondContact O-N 3.33Å; Y504-R506 VanDerWaalsContact C-N 3.3Å; Y504-R506 PolarHBondContact O-N 3.4Å; R506-E508 PolarHBondContact O-N 3.04Å; R506-Y509 PolarHBondContact O-N 3.38Å; R506-Y509 VanDerWaalsContact O-N 3.15Å; R506-F510 HydrophobicContact CG-CD2 4.34Å; R506-F510 VanDerWaalsContact O-CB 3.23Å; R506-F510 WeakPolarHBondContact O-CB 3.46Å; R506-F510 PolarHBondContact O-N 3.07Å
507Y92.1Very high89.8Confident47 Ų4727.7 Ų27.718%0.18414%0.137CC..Hα-helixtrans-49.4-42.5179.6176.2-97.8000112.6R79 Y191 C195 L196 E197 P198 A503 Y504R79-Y507 PolarHBondContact NH2-OH 3.15Å; Y191-Y507 VanDerWaalsContact OH-CA 3.31Å; Y191-Y507 WeakPolarHBondContact OH-CA 3.24Å; Y191-Y507 PolarHBondContact OH-N 3.2Å; C195-Y507 HydrophobicContact CB-CD2 4.34Å; L196-Y507 WeakPolarHBondContact O-CB 3.36Å; E197-Y507 HydrophobicContact CB-CE1 4.23Å; E197-Y507 HydrophobicContact CB-CE2 4.19Å; E197-Y507 HydrophobicContact CG-CE1 3.96Å; E197-Y507 PolarHBondContact OE1-OH 3.26Å; P198-Y507 VanDerWaalsContact CD-CD1 3.43Å; P198-Y507 HydrophobicContact CG-CD1 4.28Å; A503-Y507 PolarHBondContact O-N 2.98Å; Y504-Y507 WeakPolarHBondContact O-CB 3.37Å; Y504-Y507 PolarHBondContact O-N 2.75Å
508E92.6Very high90.1Very high9 Ų924.8 Ų24.84%0.04212%0.121CC..Hα-helixtrans-74.3-41.6-178.8-69.9-70.4174.700113.3R79 P198 S488 L489 Y504 E505 R506 F512R79-E508 WeakPolarHBondContact CG-OE2 3.42Å; P198-E508 HydrophobicContact CG-CG 4.14Å; S488-E508 WeakPolarHBondContact CB-OE1 3.44Å; S488-E508 VanDerWaalsContact OG-CD 3.29Å; S488-E508 PolarHBondContact OG-OE1 3.18Å; L489-E508 HydrophobicContact CD1-CB 3.87Å; L489-E508 HydrophobicContact CD1-CG 3.68Å; L489-E508 HydrophobicContact CD2-CG 3.95Å; L489-E508 HydrophobicContact CG-CG 3.85Å; Y504-E508 WeakPolarHBondContact O-CG 3.39Å; Y504-E508 PolarHBondContact O-N 2.96Å; E505-E508 PolarHBondContact O-N 3.03Å; R506-E508 PolarHBondContact O-N 3.04Å; E508-F512 WeakPolarHBondContact O-CD2 3.42Å
509Y94.1Very high90.1Very high1 Ų122.7 Ų22.70%0.00411%0.107CC..Hα-helixtrans-112.9-29.3-164-56.3-53.3000115.7P78 T359 V360 N361 L489 E505 R506 N511 F512 M513P78-Y509 HydrophobicContact CB-CD1 4.23Å; P78-Y509 HydrophobicContact CB-CE1 4.2Å; P78-Y509 HydrophobicContact CG-CE1 4.13Å; T359-Y509 HydrophobicContact CG2-CD1 3.74Å; T359-Y509 HydrophobicContact CG2-CE1 3.64Å; T359-Y509 HydrophobicContact CG2-CG 4.23Å; V360-Y509 HydrophobicContact CB-CE2 4.36Å; V360-Y509 PolarHBondContact N-OH 2.99Å; N361-Y509 HydrophobicContact CB-CD2 3.89Å; N361-Y509 HydrophobicContact CB-CE2 4.15Å; L489-Y509 HydrophobicContact CD1-CD2 4.35Å; L489-Y509 HydrophobicContact CD1-CE2 3.33Å; L489-Y509 VanDerWaalsContact CD1-CZ 3.48Å; L489-Y509 VanDerWaalsContact CD1-OH 3.25Å; L489-Y509 WeakPolarHBondContact CD1-OH 3.25Å; E505-Y509 HydrophobicContact CB-CD2 4.26Å; E505-Y509 HydrophobicContact CB-CE2 4.43Å; E505-Y509 WeakPolarHBondContact O-CD2 3.37Å; E505-Y509 PolarHBondContact O-N 2.83Å; R506-Y509 PolarHBondContact O-N 3.38Å; R506-Y509 VanDerWaalsContact O-N 3.15Å; Y509-N511 PolarHBondContact O-N 3.43Å; Y509-F512 PolarHBondContact O-N 3.2Å; Y509-M513 HydrophobicContact CD1-CE 4.32Å; Y509-M513 HydrophobicContact CD1-CG 4.32Å; Y509-M513 VanDerWaalsContact O-CB 3.29Å; Y509-M513 WeakPolarHBondContact O-CB 3.35Å; Y509-M513 PolarHBondContact O-N 2.87Å
510F92.9Very high90.1Very high2 Ų221.6 Ų21.61%0.00910%0.101CC..THydrogen-bonded Turntrans-60-43.5-162-174.4-88.3000114.6F186 Y191 P212 E293 S295 M297 P300 R506F186-F510 HydrophobicContact CB-CZ 4.26Å; F186-F510 HydrophobicContact CD1-CE2 4.48Å; F186-F510 HydrophobicContact CD1-CZ 4.26Å; F186-F510 HydrophobicContact CD2-CE1 4.35Å; F186-F510 AromaticContact CD2-CE2 3.73Å; F186-F510 HydrophobicContact CD2-CE2 3.73Å; F186-F510 AromaticContact CD2-CZ 3.33Å; F186-F510 HydrophobicContact CD2-CZ 3.33Å; F186-F510 HydrophobicContact CE1-CE2 4.27Å; F186-F510 HydrophobicContact CE1-CZ 4.5Å; F186-F510 AromaticContact CE2-CE2 3.44Å; F186-F510 HydrophobicContact CE2-CE2 3.44Å; F186-F510 VanDerWaalsContact CE2-CE2 3.44Å; F186-F510 AromaticContact CE2-CZ 3.59Å; F186-F510 HydrophobicContact CE2-CZ 3.59Å; F186-F510 HydrophobicContact CG-CE2 4.23Å; F186-F510 AromaticContact CG-CZ 3.69Å; F186-F510 HydrophobicContact CG-CZ 3.69Å; F186-F510 AromaticContact CZ-CE2 3.76Å; F186-F510 HydrophobicContact CZ-CE2 3.76Å; F186-F510 HydrophobicContact CZ-CZ 4.19Å; Y191-F510 AromaticContact CD1-CD1 3.74Å; Y191-F510 HydrophobicContact CD1-CD1 3.74Å; Y191-F510 AromaticContact CD1-CE1 3.98Å; Y191-F510 HydrophobicContact CD1-CE1 3.98Å; Y191-F510 HydrophobicContact CD1-CG 4.42Å; Y191-F510 HydrophobicContact CD2-CB 4.01Å; Y191-F510 AromaticContact CD2-CD1 3.29Å; Y191-F510 HydrophobicContact CD2-CD1 3.29Å; Y191-F510 AromaticContact CD2-CD2 3.5Å; Y191-F510 HydrophobicContact CD2-CD2 3.5Å; Y191-F510 AromaticContact CD2-CE1 3.4Å; Y191-F510 HydrophobicContact CD2-CE1 3.4Å; Y191-F510 AromaticContact CD2-CE2 3.59Å; Y191-F510 HydrophobicContact CD2-CE2 3.59Å; Y191-F510 AromaticContact CD2-CG 3.34Å; Y191-F510 HydrophobicContact CD2-CG 3.34Å; Y191-F510 AromaticContact CD2-CZ 3.53Å; Y191-F510 HydrophobicContact CD2-CZ 3.53Å; Y191-F510 HydrophobicContact CE1-CB 4.17Å; Y191-F510 AromaticContact CE1-CD1 3.84Å; Y191-F510 HydrophobicContact CE1-CD1 3.84Å; Y191-F510 HydrophobicContact CE1-CG 4.23Å; Y191-F510 HydrophobicContact CE2-CB 3.13Å; Y191-F510 AromaticContact CE2-CD1 3.33Å; Y191-F510 HydrophobicContact CE2-CD1 3.33Å; Y191-F510 AromaticContact CE2-CD2 3.4Å; Y191-F510 HydrophobicContact CE2-CD2 3.4Å; Y191-F510 VanDerWaalsContact CE2-CD2 3.4Å; Y191-F510 AromaticContact CE2-CE1 3.97Å; Y191-F510 HydrophobicContact CE2-CE1 3.97Å; Y191-F510 HydrophobicContact CE2-CE2 4.01Å; Y191-F510 AromaticContact CE2-CG 3Å; Y191-F510 HydrophobicContact CE2-CG 3Å; Y191-F510 HydrophobicContact CE2-CZ 4.26Å; Y191-F510 AromaticContact CG-CD1 3.46Å; Y191-F510 HydrophobicContact CG-CD1 3.46Å; Y191-F510 VanDerWaalsContact CG-CD1 3.46Å; Y191-F510 HydrophobicContact CG-CD2 4.45Å; Y191-F510 AromaticContact CG-CE1 3.37Å; Y191-F510 HydrophobicContact CG-CE1 3.37Å; Y191-F510 HydrophobicContact CG-CE2 4.37Å; Y191-F510 HydrophobicContact CG-CG 4.02Å; Y191-F510 AromaticContact CG-CZ 3.85Å; Y191-F510 HydrophobicContact CG-CZ 3.85Å; Y191-F510 AromaticContact CZ-CD1 3.62Å; Y191-F510 AromaticContact CZ-CG 3.53Å; Y191-F510 VanDerWaalsContact OH-CB 3.3Å; Y191-F510 WeakPolarHBondContact OH-CB 3.26Å; P212-F510 HydrophobicContact CB-CE2 4.29Å; P212-F510 HydrophobicContact CB-CZ 4.27Å; P212-F510 HydrophobicContact CG-CE2 4.19Å; E293-F510 HydrophobicContact CG-CE1 4.28Å; S295-F510 WeakPolarHBondContact CB-O 3.26Å; S295-F510 PolarHBondContact OG-O 2.87Å; M297-F510 HydrophobicContact SD-CB 4.13Å; M297-F510 HydrophobicContact SD-CD2 4.26Å; P300-F510 HydrophobicContact CB-CD2 4.3Å; P300-F510 HydrophobicContact CB-CE2 4.28Å; R506-F510 HydrophobicContact CG-CD2 4.34Å; R506-F510 VanDerWaalsContact O-CB 3.23Å; R506-F510 WeakPolarHBondContact O-CB 3.46Å; R506-F510 PolarHBondContact O-N 3.07Å
511N86.4Confident90.3Very high78 Ų7816.2 Ų16.242%0.4178%0.076SC..THydrogen-bonded Turntrans-79-32-178.6-77.2-25.1000112.7K284 E293 Y509K284-N511 PolarHBondContact NZ-O 3.33Å; E293-N511 PolarHBondContact OE1-OD1 3.27Å; E293-N511 VanDerWaalsContact OE1-OD1 3.04Å; Y509-N511 PolarHBondContact O-N 3.43Å
512F82.7Confident90.4Very high43 Ų4316.7 Ų16.719%0.1898%0.077CC..THydrogen-bonded Turntrans-90.7-41-169.4-54.8-72.8000111.9I48 P78 R79 F80 K284 E508 Y509I48-F512 HydrophobicContact CD1-CB 3.88Å; I48-F512 HydrophobicContact CG1-CB 4.31Å; P78-F512 WeakPolarHBondContact O-CD2 3.39Å; P78-F512 WeakPolarHBondContact O-CG 3.34Å; R79-F512 VanDerWaalsContact CD-CE2 3.42Å; R79-F512 HydrophobicContact CG-CE2 4.4Å; F80-F512 HydrophobicContact CD2-CD1 4.23Å; F80-F512 AromaticContact CD2-CE1 3.91Å; F80-F512 HydrophobicContact CD2-CE1 3.91Å; F80-F512 AromaticContact CE2-CD1 3.68Å; F80-F512 HydrophobicContact CE2-CD1 3.68Å; F80-F512 AromaticContact CE2-CE1 3.7Å; F80-F512 HydrophobicContact CE2-CE1 3.7Å; K284-F512 PolarHBondContact NZ-O 2.95Å; K284-F512 VanDerWaalsContact NZ-O 3.08Å; E508-F512 WeakPolarHBondContact O-CD2 3.42Å; Y509-F512 PolarHBondContact O-N 3.2Å
513M79.2Confident90.2Very high1 Ų118.2 Ų18.21%0.0058%0.084CC..  trans-79.20172-59.2-58.3172.500109.3N46 K280 K284 S295 F296 T359 A406 Y509N46-M513 HydrophobicContact CB-CE 4.18Å; K280-M513 WeakPolarHBondContact CE-O 3.04Å; K284-M513 WeakPolarHBondContact CE-O 3.07Å; K284-M513 PolarHBondContact NZ-O 3.48Å; K284-M513 PolarHBondContact NZ-OXT 3.03Å; S295-M513 PolarHBondContact OG-OXT 3.33Å; F296-M513 WeakPolarHBondContact CB-O 3.42Å; F296-M513 WeakPolarHBondContact CD2-O 3.26Å; F296-M513 PolarHBondContact N-OXT 3.03Å; T359-M513 HydrophobicContact CG2-CE 3.78Å; T359-M513 HydrophobicContact CG2-CG 4.38Å; T359-M513 HydrophobicContact CG2-SD 4.46Å; A406-M513 HydrophobicContact CB-CB 4.18Å; A406-M513 HydrophobicContact CB-CG 4.06Å; A406-M513 HydrophobicContact CB-SD 4.03Å; Y509-M513 HydrophobicContact CD1-CE 4.32Å; Y509-M513 HydrophobicContact CD1-CG 4.32Å; Y509-M513 VanDerWaalsContact O-CB 3.29Å; Y509-M513 WeakPolarHBondContact O-CB 3.35Å; Y509-M513 PolarHBondContact O-N 2.87Å

Retrieved 513 of 513 residues in 1323.2 ms (Link to these results)

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