A0A077ZFG8_TRITR Loading...

RNA binding protein

AlphaFold DB , UniProt , Accession A0A077ZFG8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 273 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M48.8Very low67.1Low219 Ų219104.7 Ų104.7100%1.07957%0.566SS**  01200-135.4170.889.300107T3M1-T3 PolarHBondContact O-N 3.3Å
2K55.8Low67.5Low198 Ų198100.2 Ų100.286%0.86154%0.539SS*.  trans-64.2119.2173-140.1176.8-175.4-179.40105.6D4K2-D4 VanDerWaalsContact C-N 3.31Å; K2-D4 PolarHBondContact O-N 3.42Å
3T62.8Low67.3Low94 Ų94105.1 Ų105.158%0.57756%0.56SS**  trans-65.996.4172.89.70000106.9M1 I8M1-T3 PolarHBondContact O-N 3.3Å; T3-I8 HydrophobicContact CG2-CG1 3.98Å
4D72.6Confident67.6Low88 Ų88108.6 Ų108.647%0.47158%0.578SS.*  trans-80.4169.3169.358.717.2000109.9K2 T6 G7 I8K2-D4 VanDerWaalsContact C-N 3.31Å; K2-D4 PolarHBondContact O-N 3.42Å; D4-T6 PolarHBondContact O-N 2.85Å; D4-G7 PolarHBondContact O-N 3.11Å; D4-G7 PolarHBondContact OD1-N 2.85Å; D4-I8 WeakPolarHBondContact O-CG1 3.05Å; D4-I8 PolarHBondContact O-N 3.15Å
5S71.9Confident68.3Low98 Ų98107.9 Ų107.969%0.68559%0.585SS**Hα-helixtrans-55.1-38.6-179.650.50000111.9I8 A9S5-I8 PolarHBondContact O-N 3.23Å; S5-A9 WeakPolarHBondContact O-CB 3.42Å; S5-A9 PolarHBondContact O-N 3.23Å
6T69.2Low69.2Low102 Ų102106.1 Ų106.163%0.62657%0.574SS**Hα-helixtrans-63.4-48.4178.4-50.90000111.9D4 I8 A9 A10D4-T6 PolarHBondContact O-N 2.85Å; T6-I8 VanDerWaalsContact C-N 3.35Å; T6-A9 PolarHBondContact O-N 3.03Å; T6-A10 WeakPolarHBondContact O-CB 3.44Å; T6-A10 PolarHBondContact O-N 3.42Å
7G71.5Confident70.2Confident18 Ų18105.3 Ų105.319%0.18657%0.57CS.*Hα-helixtrans-67.4-34.5178.300000113D4 R11D4-G7 PolarHBondContact O-N 3.11Å; D4-G7 PolarHBondContact OD1-N 2.85Å; G7-R11 WeakPolarHBondContact O-CG 3.38Å; G7-R11 PolarHBondContact O-N 3.13Å
8I74.7Confident70.9Confident74 Ų74106.7 Ų106.738%0.37957%0.565SS.*Hα-helixtrans-64.4-53171.9-68.4168.5000109.7T3 D4 S5 T6 A10 R11 M12T3-I8 HydrophobicContact CG2-CG1 3.98Å; D4-I8 WeakPolarHBondContact O-CG1 3.05Å; D4-I8 PolarHBondContact O-N 3.15Å; S5-I8 PolarHBondContact O-N 3.23Å; T6-I8 VanDerWaalsContact C-N 3.35Å; I8-A10 VanDerWaalsContact C-N 3.31Å; I8-A10 PolarHBondContact O-N 3.23Å; I8-R11 PolarHBondContact O-N 3.36Å; I8-M12 HydrophobicContact CG2-CG 3.97Å; I8-M12 HydrophobicContact CG2-SD 3.52Å; I8-M12 VanDerWaalsContact CG2-SD 3.52Å; I8-M12 VanDerWaalsContact O-CG 3.25Å; I8-M12 WeakPolarHBondContact O-CG 3.5Å; I8-M12 PolarHBondContact O-N 2.86Å
9A68.6Low71.7Confident33 Ų33109.6 Ų109.627%0.27358%0.575SS.*Hα-helixtrans-56.2-45-179.600000111.9S5 T6 R11 M12 M13S5-A9 WeakPolarHBondContact O-CB 3.42Å; S5-A9 PolarHBondContact O-N 3.23Å; T6-A9 PolarHBondContact O-N 3.03Å; A9-R11 VanDerWaalsContact C-N 3.33Å; A9-R11 PolarHBondContact O-N 3.44Å; A9-M12 PolarHBondContact O-N 3.35Å; A9-M13 WeakPolarHBondContact O-CG 3.44Å; A9-M13 PolarHBondContact O-N 2.93Å
10A69.9Low72.5Confident51 Ų51112.5 Ų112.542%0.42158%0.578SS.*Hα-helixtrans-59.9-40.7176.700000112.7T6 I8T6-A10 WeakPolarHBondContact O-CB 3.44Å; T6-A10 PolarHBondContact O-N 3.42Å; I8-A10 VanDerWaalsContact C-N 3.31Å; I8-A10 PolarHBondContact O-N 3.23Å
11R72.3Confident73.2Confident177 Ų177109.2 Ų109.267%0.66856%0.561SS**Hα-helixtrans-70.9-39.9175.7-76.2-179.9164.8-137.4-4.7112.6G7 I8 A9 M13 L14 S15G7-R11 WeakPolarHBondContact O-CG 3.38Å; G7-R11 PolarHBondContact O-N 3.13Å; I8-R11 PolarHBondContact O-N 3.36Å; A9-R11 VanDerWaalsContact C-N 3.33Å; A9-R11 PolarHBondContact O-N 3.44Å; R11-M13 PolarHBondContact O-N 3.43Å; R11-L14 PolarHBondContact O-N 2.73Å; R11-S15 WeakPolarHBondContact O-CB 3.43Å; R11-S15 PolarHBondContact O-N 3.36Å
12M71.9Confident74.9Confident50 Ų5099.9 Ų99.925%0.24652%0.517CS..Hα-helixtrans-60.4-37.9177.5-70-179.110800111.3I8 A9 L14 L16 M74 F75I8-M12 HydrophobicContact CG2-CG 3.97Å; I8-M12 HydrophobicContact CG2-SD 3.52Å; I8-M12 VanDerWaalsContact CG2-SD 3.52Å; I8-M12 VanDerWaalsContact O-CG 3.25Å; I8-M12 WeakPolarHBondContact O-CG 3.5Å; I8-M12 PolarHBondContact O-N 2.86Å; A9-M12 PolarHBondContact O-N 3.35Å; M12-L14 VanDerWaalsContact C-N 3.32Å; M12-L14 PolarHBondContact O-N 3.47Å; M12-L16 HydrophobicContact CB-CD1 3.79Å; M12-L16 HydrophobicContact CE-CD1 3.85Å; M12-L16 HydrophobicContact CG-CD1 3.59Å; M12-M74 HydrophobicContact CB-CE 4.42Å; M12-M74 HydrophobicContact CE-CE 4.15Å; M12-M74 HydrophobicContact SD-CE 3.31Å; M12-M74 WeakPolarHBondContact SD-CE 3.37Å; M12-F75 HydrophobicContact CE-CE2 4.05Å; M12-F75 HydrophobicContact CE-CZ 3.93Å
13M65.3Low76.4Confident164 Ų16496 Ų9681%0.80850%0.502SS*.Hα-helixtrans-65.6-29.6177.6-74.3179.9173.200114.1A9 R11A9-M13 WeakPolarHBondContact O-CG 3.44Å; A9-M13 PolarHBondContact O-N 2.93Å; R11-M13 PolarHBondContact O-N 3.43Å
14L71.1Confident77.6Confident154 Ų15494.2 Ų94.281%0.80649%0.493SS*.Hα-helixtrans-108.9-21.5-169.8-66.1176.3000114.7R11 M12R11-L14 PolarHBondContact O-N 2.73Å; M12-L14 VanDerWaalsContact C-N 3.32Å; M12-L14 PolarHBondContact O-N 3.47Å
15S78.8Confident78.3Confident98 Ų9891.6 Ų91.669%0.68548%0.479SS*.Hα-helixtrans-127.7-7.5-164.9-52.50000115.1R11R11-S15 WeakPolarHBondContact O-CB 3.43Å; R11-S15 PolarHBondContact O-N 3.36Å
16L82.1Confident78.8Confident79 Ų7991.2 Ų91.241%0.41447%0.468SS..SBendtrans-92.3144.9178.8-68.8-178.1000111.9M12 R18 I21 F75M12-L16 HydrophobicContact CB-CD1 3.79Å; M12-L16 HydrophobicContact CE-CD1 3.85Å; M12-L16 HydrophobicContact CG-CD1 3.59Å; L16-R18 VanDerWaalsContact C-N 3.3Å; L16-R18 PolarHBondContact O-N 2.87Å; L16-I21 HydrophobicContact CB-CD1 3.81Å; L16-I21 HydrophobicContact CD1-CD1 3.87Å; L16-I21 HydrophobicContact CG-CD1 4.33Å; L16-F75 HydrophobicContact CD1-CE1 4.4Å; L16-F75 HydrophobicContact CD1-CZ 3.94Å
17D85.7Confident79.5Confident93 Ų9390 Ų9050%0.49746%0.464SS..  trans-70.287.9169.9-176.1-9.6000109.5E19 R20 I21D17-E19 VanDerWaalsContact C-N 3.34Å; D17-E19 PolarHBondContact O-N 3.41Å; D17-R20 HydrophobicContact CB-CB 4.22Å; D17-R20 VanDerWaalsContact CG-CB 3.45Å; D17-R20 PolarHBondContact O-N 2.91Å; D17-R20 PolarHBondContact OD1-N 2.9Å; D17-R20 WeakPolarHBondContact OD2-CB 3.48Å; D17-I21 VanDerWaalsContact O-CG1 3.3Å; D17-I21 WeakPolarHBondContact O-CG1 3.5Å; D17-I21 PolarHBondContact O-N 3.08Å; D17-I21 VanDerWaalsContact O-N 3.15Å
18R84Confident79.9Confident131 Ų13195.5 Ų95.549%0.49449%0.485SS..Hα-helixtrans-62.3-40.7-174.4-179172.6-176.21594.3112.1L16 I21 C22 F75L16-R18 VanDerWaalsContact C-N 3.3Å; L16-R18 PolarHBondContact O-N 2.87Å; R18-I21 PolarHBondContact O-N 3.21Å; R18-C22 WeakPolarHBondContact O-CB 3.49Å; R18-C22 PolarHBondContact O-N 3.37Å; R18-C22 PolarHBondContact O-SG 3Å; R18-F75 HydrophobicContact CG-CD1 4.28Å; R18-F75 PolarHBondContact NH2-O 2.85Å
19E84.8Confident80Confident162 Ų16298.9 Ų98.976%0.75749%0.493SS*.Hα-helixtrans-62.2-47.6-177.8-69.5-179179.800110.6D17 I21 C22 E23D17-E19 VanDerWaalsContact C-N 3.34Å; D17-E19 PolarHBondContact O-N 3.41Å; E19-I21 VanDerWaalsContact C-N 3.34Å; E19-I21 PolarHBondContact O-N 3.21Å; E19-C22 PolarHBondContact O-N 2.99Å; E19-E23 PolarHBondContact O-N 2.79Å
20R87.9Confident80.5Confident167 Ų167106 Ų10663%0.6352%0.52SS*.Hα-helixtrans-62.5-40.2177.3-174.3171.8-179.7170.31.9112.7D17 E23 C24D17-R20 HydrophobicContact CB-CB 4.22Å; D17-R20 VanDerWaalsContact CG-CB 3.45Å; D17-R20 PolarHBondContact O-N 2.91Å; D17-R20 PolarHBondContact OD1-N 2.9Å; D17-R20 WeakPolarHBondContact OD2-CB 3.48Å; R20-E23 PolarHBondContact O-N 2.95Å; R20-C24 PolarHBondContact O-N 3.21Å; R20-C24 PolarHBondContact O-SG 2.82Å
21I87.1Confident80.9Confident44 Ų44110 Ų11023%0.22653%0.534CS..Hα-helixtrans-64.1-45.7176.7-67.1167.7000110.4L16 D17 R18 E19 E23 C24 L25 F75L16-I21 HydrophobicContact CB-CD1 3.81Å; L16-I21 HydrophobicContact CD1-CD1 3.87Å; L16-I21 HydrophobicContact CG-CD1 4.33Å; D17-I21 VanDerWaalsContact O-CG1 3.3Å; D17-I21 WeakPolarHBondContact O-CG1 3.5Å; D17-I21 PolarHBondContact O-N 3.08Å; D17-I21 VanDerWaalsContact O-N 3.15Å; R18-I21 PolarHBondContact O-N 3.21Å; E19-I21 VanDerWaalsContact C-N 3.34Å; E19-I21 PolarHBondContact O-N 3.21Å; I21-E23 PolarHBondContact O-N 2.81Å; I21-C24 PolarHBondContact O-N 2.96Å; I21-L25 HydrophobicContact CG2-CD1 4.06Å; I21-L25 HydrophobicContact CG2-CG 4.46Å; I21-L25 WeakPolarHBondContact O-CG 3.31Å; I21-L25 PolarHBondContact O-N 3.11Å; I21-F75 HydrophobicContact CB-CD1 4.47Å; I21-F75 HydrophobicContact CD1-CE1 3.88Å; I21-F75 HydrophobicContact CD1-CZ 3.99Å; I21-F75 HydrophobicContact CG2-CB 4.32Å; I21-F75 HydrophobicContact CG2-CD1 3.98Å; I21-F75 HydrophobicContact CG2-CD2 3.82Å; I21-F75 HydrophobicContact CG2-CE1 4.26Å; I21-F75 HydrophobicContact CG2-CE2 4.12Å; I21-F75 HydrophobicContact CG2-CG 3.75Å; I21-F75 HydrophobicContact CG2-CZ 4.33Å
22C84.9Confident81.1Confident22 Ų22109.6 Ų109.615%0.14954%0.54CS..Hα-helixtrans-59.4-46.4176.5-69.70000111.5R18 E19 C24 L25 L26 L76R18-C22 WeakPolarHBondContact O-CB 3.49Å; R18-C22 PolarHBondContact O-N 3.37Å; R18-C22 PolarHBondContact O-SG 3Å; E19-C22 PolarHBondContact O-N 2.99Å; C22-C24 VanDerWaalsContact C-N 3.31Å; C22-C24 PolarHBondContact O-N 2.91Å; C22-L25 PolarHBondContact O-N 3.05Å; C22-L26 WeakPolarHBondContact O-CB 3.39Å; C22-L26 VanDerWaalsContact O-CG 3.31Å; C22-L26 WeakPolarHBondContact O-CG 3.24Å; C22-L26 PolarHBondContact O-N 2.73Å; C22-L76 HydrophobicContact CB-CD2 3.8Å; C22-L76 VanDerWaalsContact SG-CD2 3.57Å
23E87.8Confident81.1Confident118 Ų118113 Ų11355%0.55157%0.568SS**Hα-helixtrans-58.2-43.2176.9-173.4-176-175.900111.6E19 R20 I21 L26 S27E19-E23 PolarHBondContact O-N 2.79Å; R20-E23 PolarHBondContact O-N 2.95Å; I21-E23 PolarHBondContact O-N 2.81Å; E23-L26 PolarHBondContact O-N 3.45Å; E23-S27 WeakPolarHBondContact O-CB 3.27Å; E23-S27 PolarHBondContact O-N 3.48Å; E23-S27 PolarHBondContact O-OG 2.92Å
24C88.1Confident81.6Confident55 Ų55110.1 Ų110.137%0.37256%0.56SS.*Hα-helixtrans-62.8-44.6176.1-69.80000112.7R20 I21 C22 L26 H28R20-C24 PolarHBondContact O-N 3.21Å; R20-C24 PolarHBondContact O-SG 2.82Å; I21-C24 PolarHBondContact O-N 2.96Å; C22-C24 VanDerWaalsContact C-N 3.31Å; C22-C24 PolarHBondContact O-N 2.91Å; C24-L26 VanDerWaalsContact C-N 3.3Å; C24-L26 PolarHBondContact O-N 3.1Å; C24-H28 WeakPolarHBondContact O-CB 3.21Å; C24-H28 PolarHBondContact O-N 3.38Å; C24-H28 VanDerWaalsContact O-N 3.12Å
25L86.1Confident81.8Confident34 Ų34107.6 Ų107.618%0.17855%0.553CS.*Hα-helixtrans-65.6-32.7179.6-70.3173.4000112.6I21 C22 R29 L71 F75 L76I21-L25 HydrophobicContact CG2-CD1 4.06Å; I21-L25 HydrophobicContact CG2-CG 4.46Å; I21-L25 WeakPolarHBondContact O-CG 3.31Å; I21-L25 PolarHBondContact O-N 3.11Å; C22-L25 PolarHBondContact O-N 3.05Å; L25-R29 VanDerWaalsContact O-CZ 3.3Å; L25-R29 PolarHBondContact O-NE 3.14Å; L25-R29 VanDerWaalsContact O-NE 3.16Å; L25-R29 PolarHBondContact O-NH2 2.95Å; L25-L71 HydrophobicContact CD1-CB 4.39Å; L25-L71 HydrophobicContact CD2-CB 4.15Å; L25-L71 HydrophobicContact CD2-CD1 4.37Å; L25-F75 HydrophobicContact CD1-CB 4.02Å; L25-F75 HydrophobicContact CD1-CD2 4.5Å; L25-L76 HydrophobicContact CB-CD1 3.92Å; L25-L76 HydrophobicContact CD1-CD1 4.16Å; L25-L76 HydrophobicContact CD1-CG 4.34Å
26L83.9Confident81.9Confident90 Ų90110.4 Ų110.447%0.47156%0.559SS.*Hα-helixtrans-83.9-42.3-179.7-66.7173.1000112.4C22 E23 C24 L76C22-L26 WeakPolarHBondContact O-CB 3.39Å; C22-L26 VanDerWaalsContact O-CG 3.31Å; C22-L26 WeakPolarHBondContact O-CG 3.24Å; C22-L26 PolarHBondContact O-N 2.73Å; E23-L26 PolarHBondContact O-N 3.45Å; C24-L26 VanDerWaalsContact C-N 3.3Å; C24-L26 PolarHBondContact O-N 3.1Å; L26-L76 HydrophobicContact CD1-CD2 4.34Å; L26-L76 HydrophobicContact CD2-CD1 3.92Å; L26-L76 HydrophobicContact CG-CD1 4.2Å; L26-L76 HydrophobicContact CG-CD2 4.4Å
27S82.4Confident81.9Confident77 Ų77115.4 Ų115.454%0.53858%0.581SS.*Hα-helixtrans-97.2-25.5-166.5-50.60000114.6E23E23-S27 WeakPolarHBondContact O-CB 3.27Å; E23-S27 PolarHBondContact O-N 3.48Å; E23-S27 PolarHBondContact O-OG 2.92Å
28H79.5Confident81.9Confident133 Ų133114.5 Ų114.562%0.61658%0.578SS**  trans-107.663.2-171.7-59.1-46.5000112.6C24 Q30C24-H28 WeakPolarHBondContact O-CB 3.21Å; C24-H28 PolarHBondContact O-N 3.38Å; C24-H28 VanDerWaalsContact O-N 3.12Å; H28-Q30 VanDerWaalsContact C-N 3.33Å; H28-Q30 PolarHBondContact O-N 3.45Å
29R78.4Confident82Confident144 Ų144120 Ų12054%0.54360%0.599SS.*  trans-80.8-7.3-179.2-64.4-67.5-174.1167.2-0.3114.9L25 L31 E68L25-R29 VanDerWaalsContact O-CZ 3.3Å; L25-R29 PolarHBondContact O-NE 3.14Å; L25-R29 VanDerWaalsContact O-NE 3.16Å; L25-R29 PolarHBondContact O-NH2 2.95Å; R29-L31 PolarHBondContact O-N 3.42Å; R29-E68 IonicContact NH1-OE2 3.67Å
30Q78.4Confident82.3Confident183 Ų183116.9 Ų116.986%0.85558%0.581SS**SBendtrans-72.1126.9-179.8-69.5-177.2-7.200110.7H28 Q32H28-Q30 VanDerWaalsContact C-N 3.33Å; H28-Q30 PolarHBondContact O-N 3.45Å; Q30-Q32 PolarHBondContact O-N 2.93Å
31L77.8Confident82.5Confident134 Ų134113.3 Ų113.370%0.70258%0.579SS**PPolyproline II helixtrans-63.9124.7173-66.4174.8000109.4R29R29-L31 PolarHBondContact O-N 3.42Å
32Q77.7Confident82.7Confident170 Ų170116.4 Ų116.479%0.79459%0.593SS**PPolyproline II helixtrans-68.3138.7171-67.1-166.2-16.600109.7Q30 T34Q30-Q32 PolarHBondContact O-N 2.93Å; Q32-T34 PolarHBondContact O-N 3.45Å
33S70.6Confident83.2Confident121 Ų121117.9 Ų117.985%0.84661%0.611SS**SBendtrans-67.1-25.2178.552.10000113.1P35S33-P35 WeakPolarHBondContact O-CD 2.99Å
34T76.4Confident83.5Confident104 Ų104115.3 Ų115.364%0.63860%0.603SS**SBendtrans-96.5111.9178.8-52.30000109.8Q32Q32-T34 PolarHBondContact O-N 3.45Å
35P75.7Confident83.8Confident100 Ų100120.4 Ų120.465%0.64962%0.615SS**  trans-69.2137.8-17927.9-33.9000111.2S33 Q37S33-P35 WeakPolarHBondContact O-CD 2.99Å; P35-Q37 PolarHBondContact O-N 2.93Å
36L80.5Confident84.2Confident157 Ų157122.6 Ų122.682%0.82263%0.627SS**  trans-68.2116.8168.8-177.168.3000109.1V38L36-V38 HydrophobicContact CD2-CG2 4.06Å; L36-V38 HydrophobicContact CG-CG2 4.1Å; L36-V38 PolarHBondContact O-N 3.14Å
37Q82.6Confident84.8Confident185 Ų185120.6 Ų120.686%0.86462%0.623SS**  trans-79.4103.1177-69-172.1-0.300110.7P35P35-Q37 PolarHBondContact O-N 2.93Å
38V84.5Confident85.4Confident73 Ų73117.8 Ų117.844%0.44260%0.602SS.*PPolyproline II helixtrans-99.1129.4174.5-1740000109.9L36 Y40L36-V38 HydrophobicContact CD2-CG2 4.06Å; L36-V38 HydrophobicContact CG-CG2 4.1Å; L36-V38 PolarHBondContact O-N 3.14Å; V38-Y40 HydrophobicContact CB-CE2 3.91Å; V38-Y40 HydrophobicContact CG1-CD1 4.39Å; V38-Y40 HydrophobicContact CG1-CD2 4.48Å; V38-Y40 HydrophobicContact CG1-CE1 3.85Å; V38-Y40 HydrophobicContact CG1-CE2 3.95Å
39R87.8Confident86.1Confident246 Ų246112.8 Ų112.893%0.92859%0.586SS**PPolyproline II helixtrans-91118.2174-66.1-175.9-179-173.30.5109.7
40Y89.7Confident87Confident98 Ų98110.4 Ų110.438%0.38458%0.584SS.*PPolyproline II helixtrans-100.6146.3175.7-63.4-75.4000111.5V38 V44V38-Y40 HydrophobicContact CB-CE2 3.91Å; V38-Y40 HydrophobicContact CG1-CD1 4.39Å; V38-Y40 HydrophobicContact CG1-CD2 4.48Å; V38-Y40 HydrophobicContact CG1-CE1 3.85Å; V38-Y40 HydrophobicContact CG1-CE2 3.95Å; Y40-V44 HydrophobicContact CD1-CG1 3.77Å; Y40-V44 HydrophobicContact CG-CG1 4.21Å
41P92.4Very high87.7Confident91 Ų91105.3 Ų105.359%0.59156%0.561SS**PPolyproline II helixtrans-54.9146.5162.1-21.933.1000110.7G43 V44 R45P41-G43 VanDerWaalsContact C-N 3.31Å; P41-G43 PolarHBondContact O-N 2.96Å; P41-V44 HydrophobicContact CB-CG2 4.31Å; P41-V44 HydrophobicContact CG-CG2 4.29Å; P41-V44 WeakPolarHBondContact O-CB 3.36Å; P41-V44 PolarHBondContact O-N 3.38Å; P41-R45 PolarHBondContact O-N 3.25Å; P41-R45 VanDerWaalsContact O-N 3.12Å
42Q92.5Very high88.5Confident110 Ų11099.8 Ų99.851%0.51453%0.533SS..Hα-helixtrans-53.7-45.6-174.7-175.459.739.200112.6V44 R45 D46Q42-V44 VanDerWaalsContact C-N 3.27Å; Q42-V44 PolarHBondContact O-N 2.99Å; Q42-R45 WeakPolarHBondContact O-CA 3.02Å; Q42-R45 WeakPolarHBondContact O-CB 3.26Å; Q42-R45 PolarHBondContact O-N 3.43Å; Q42-D46 PolarHBondContact NE2-OD1 3.17Å; Q42-D46 PolarHBondContact NE2-OD2 3.45Å; Q42-D46 PolarHBondContact O-N 2.84Å
43G95.2Very high89.3Confident52 Ų5299.1 Ų99.154%0.53653%0.53SS..Hα-helixtrans-61.7-31.1178.700000114.3P41 A47P41-G43 VanDerWaalsContact C-N 3.31Å; P41-G43 PolarHBondContact O-N 2.96Å; G43-A47 WeakPolarHBondContact O-CB 3.4Å; G43-A47 PolarHBondContact O-N 2.89Å; G43-A47 VanDerWaalsContact O-N 3.1Å
44V94Very high90.2Very high64 Ų64100.6 Ų100.639%0.38852%0.524SS..Hα-helixtrans-71.4-40.7174.2176.20000110.3Y40 P41 Q42 A47 L48Y40-V44 HydrophobicContact CD1-CG1 3.77Å; Y40-V44 HydrophobicContact CG-CG1 4.21Å; P41-V44 HydrophobicContact CB-CG2 4.31Å; P41-V44 HydrophobicContact CG-CG2 4.29Å; P41-V44 WeakPolarHBondContact O-CB 3.36Å; P41-V44 PolarHBondContact O-N 3.38Å; Q42-V44 VanDerWaalsContact C-N 3.27Å; Q42-V44 PolarHBondContact O-N 2.99Å; V44-A47 PolarHBondContact O-N 3.32Å; V44-L48 HydrophobicContact CG1-CD1 4.07Å; V44-L48 HydrophobicContact CG1-CG 4.43Å; V44-L48 WeakPolarHBondContact O-CB 3.49Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.5Å
45R93.3Very high90.9Very high163 Ų163100.4 Ų100.462%0.61552%0.518SS*.Hα-helixtrans-61.3-44.7175.9-177.9-175.8174.8-167.6-1.1111.4P41 Q42 L48 G49P41-R45 PolarHBondContact O-N 3.25Å; P41-R45 VanDerWaalsContact O-N 3.12Å; Q42-R45 WeakPolarHBondContact O-CA 3.02Å; Q42-R45 WeakPolarHBondContact O-CB 3.26Å; Q42-R45 PolarHBondContact O-N 3.43Å; R45-L48 PolarHBondContact O-N 2.76Å; R45-G49 PolarHBondContact O-N 2.75Å
46D95.8Very high91.7Very high80 Ų80101 Ų10143%0.42852%0.524SS..Hα-helixtrans-64.5-44.3179.7-63.2-25.7000110.9Q42 G49 I50Q42-D46 PolarHBondContact NE2-OD1 3.17Å; Q42-D46 PolarHBondContact NE2-OD2 3.45Å; Q42-D46 PolarHBondContact O-N 2.84Å; D46-G49 PolarHBondContact O-N 3.45Å; D46-I50 WeakPolarHBondContact O-CG1 3.46Å; D46-I50 PolarHBondContact O-N 3.23Å
47A95.3Very high92.3Very high47 Ų4796.8 Ų96.839%0.38850%0.502SS..Hα-helixtrans-60.2-47175.500000112.4G43 V44 G49 I50 M51G43-A47 WeakPolarHBondContact O-CB 3.4Å; G43-A47 PolarHBondContact O-N 2.89Å; G43-A47 VanDerWaalsContact O-N 3.1Å; V44-A47 PolarHBondContact O-N 3.32Å; A47-G49 VanDerWaalsContact C-N 3.28Å; A47-G49 PolarHBondContact O-N 2.67Å; A47-I50 PolarHBondContact O-N 3.09Å; A47-M51 VanDerWaalsContact O-CG 3.32Å; A47-M51 WeakPolarHBondContact O-CG 3.39Å; A47-M51 PolarHBondContact O-N 2.96Å
48L94.7Very high92.8Very high18 Ų1890.5 Ų90.59%0.09448%0.479CS..Hα-helixtrans-61.3-37.5175.5-73.1172.3000111.8V44 R45 S52 V59 L62 T63 L66V44-L48 HydrophobicContact CG1-CD1 4.07Å; V44-L48 HydrophobicContact CG1-CG 4.43Å; V44-L48 WeakPolarHBondContact O-CB 3.49Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.5Å; R45-L48 PolarHBondContact O-N 2.76Å; L48-S52 WeakPolarHBondContact O-CB 3.41Å; L48-S52 PolarHBondContact O-N 3.42Å; L48-S52 PolarHBondContact O-OG 3.43Å; L48-V59 HydrophobicContact CB-CG1 4.21Å; L48-V59 HydrophobicContact CD1-CG1 4.49Å; L48-L62 HydrophobicContact CD2-CD2 4.05Å; L48-L62 HydrophobicContact CD2-CG 4.42Å; L48-T63 HydrophobicContact CD1-CG2 3.72Å; L48-T63 HydrophobicContact CD2-CG2 4.13Å; L48-L66 HydrophobicContact CD2-CD1 4.35Å
49G95.3Very high93.2Very high28 Ų2890 Ų9029%0.28948%0.476SS..Hα-helixtrans-58.8-52.8174.500000111.9R45 D46 A47 M51 S52 E53R45-G49 PolarHBondContact O-N 2.75Å; D46-G49 PolarHBondContact O-N 3.45Å; A47-G49 VanDerWaalsContact C-N 3.28Å; A47-G49 PolarHBondContact O-N 2.67Å; G49-M51 PolarHBondContact O-N 3Å; G49-S52 PolarHBondContact O-N 3.29Å; G49-S52 PolarHBondContact O-OG 3.13Å; G49-E53 PolarHBondContact O-N 3.24Å; G49-E53 VanDerWaalsContact O-N 3.1Å
50I95.9Very high93.3Very high95 Ų9582.1 Ų82.149%0.48746%0.459SS..Hα-helixtrans-58.3-48.5178.2-65.1163.4000110.9D46 A47 S52 E53 Q54D46-I50 WeakPolarHBondContact O-CG1 3.46Å; D46-I50 PolarHBondContact O-N 3.23Å; A47-I50 PolarHBondContact O-N 3.09Å; I50-S52 VanDerWaalsContact C-N 3.34Å; I50-S52 PolarHBondContact O-N 2.94Å; I50-E53 PolarHBondContact O-N 3.1Å; I50-Q54 WeakPolarHBondContact O-CG 3.44Å; I50-Q54 PolarHBondContact O-N 3.28Å
51M94.6Very high93.4Very high75 Ų7580.3 Ų80.337%0.36946%0.456SS..Hα-helixtrans-62.9-41.1179.6-68.9173.268.800112A47 G49 E53 Q54 L55 L62A47-M51 VanDerWaalsContact O-CG 3.32Å; A47-M51 WeakPolarHBondContact O-CG 3.39Å; A47-M51 PolarHBondContact O-N 2.96Å; G49-M51 PolarHBondContact O-N 3Å; M51-E53 VanDerWaalsContact C-N 3.33Å; M51-E53 PolarHBondContact O-N 3.26Å; M51-Q54 PolarHBondContact O-N 2.9Å; M51-L55 VanDerWaalsContact O-CB 3.3Å; M51-L55 WeakPolarHBondContact O-CB 3.22Å; M51-L55 VanDerWaalsContact O-CG 3.29Å; M51-L55 WeakPolarHBondContact O-CG 3.33Å; M51-L55 PolarHBondContact O-N 2.75Å; M51-L62 HydrophobicContact CB-CD2 3.64Å; M51-L62 HydrophobicContact CE-CD2 4.42Å
52S94.5Very high93.4Very high18 Ų1876.3 Ų76.313%0.12643%0.429CS..Hα-helixtrans-62.5-40.9-179.875.20000112L48 G49 I50 S56 L57 V59L48-S52 WeakPolarHBondContact O-CB 3.41Å; L48-S52 PolarHBondContact O-N 3.42Å; L48-S52 PolarHBondContact O-OG 3.43Å; G49-S52 PolarHBondContact O-N 3.29Å; G49-S52 PolarHBondContact O-OG 3.13Å; I50-S52 VanDerWaalsContact C-N 3.34Å; I50-S52 PolarHBondContact O-N 2.94Å; S52-S56 WeakPolarHBondContact O-CA 3.33Å; S52-S56 PolarHBondContact O-N 3.22Å; S52-L57 CarbonylContact C-O 3.51Å; S52-L57 VanDerWaalsContact CB-O 3.28Å; S52-L57 WeakPolarHBondContact CB-O 3.39Å; S52-L57 PolarHBondContact O-N 3.16Å; S52-L57 VanDerWaalsContact O-O 3.12Å; S52-V59 WeakPolarHBondContact OG-CG2 3.44Å
53E93.6Very high93.4Very high157 Ų15772.3 Ų72.373%0.73441%0.412SS*.Hα-helixtrans-65.5-49.5176-174.5179.6177.300111G49 I50 M51 L55 S56G49-E53 PolarHBondContact O-N 3.24Å; G49-E53 VanDerWaalsContact O-N 3.1Å; I50-E53 PolarHBondContact O-N 3.1Å; M51-E53 VanDerWaalsContact C-N 3.33Å; M51-E53 PolarHBondContact O-N 3.26Å; E53-L55 VanDerWaalsContact C-N 3.3Å; E53-L55 PolarHBondContact O-N 3.09Å; E53-S56 PolarHBondContact O-N 2.85Å
54Q91Very high93.2Very high151 Ų15173.7 Ų73.771%0.70640%0.401SS*.Hα-helixtrans-63.5-34.2-179.3-71.6178.7-1100113.3I50 M51I50-Q54 WeakPolarHBondContact O-CG 3.44Å; I50-Q54 PolarHBondContact O-N 3.28Å; M51-Q54 PolarHBondContact O-N 2.9Å
55L90.6Very high93Very high100 Ų10073.5 Ų73.552%0.52440%0.397SS..Hα-helixtrans-90.9-4.2179.5-64.1173.2000113.2M51 E53 L57 L62M51-L55 VanDerWaalsContact O-CB 3.3Å; M51-L55 WeakPolarHBondContact O-CB 3.22Å; M51-L55 VanDerWaalsContact O-CG 3.29Å; M51-L55 WeakPolarHBondContact O-CG 3.33Å; M51-L55 PolarHBondContact O-N 2.75Å; E53-L55 VanDerWaalsContact C-N 3.3Å; E53-L55 PolarHBondContact O-N 3.09Å; L55-L57 HydrophobicContact CB-CD1 4.15Å; L55-L57 HydrophobicContact CB-CG 4.23Å; L55-L57 PolarHBondContact O-N 3.28Å; L55-L62 HydrophobicContact CD1-CD1 4.04Å
56S92.9Very high92.9Very high112 Ų11269.7 Ų69.778%0.78339%0.389SS*.THydrogen-bonded Turntrans53.140.1-173.5-59.70000113.2S52 E53S52-S56 WeakPolarHBondContact O-CA 3.33Å; S52-S56 PolarHBondContact O-N 3.22Å; E53-S56 PolarHBondContact O-N 2.85Å
57L92.6Very high92.6Very high69 Ų6969.6 Ų69.636%0.36139%0.391SS..  trans-115.5154.2176.8-69.6175.1000110S52 L55 I65S52-L57 CarbonylContact C-O 3.51Å; S52-L57 VanDerWaalsContact CB-O 3.28Å; S52-L57 WeakPolarHBondContact CB-O 3.39Å; S52-L57 PolarHBondContact O-N 3.16Å; S52-L57 VanDerWaalsContact O-O 3.12Å; L55-L57 HydrophobicContact CB-CD1 4.15Å; L55-L57 HydrophobicContact CB-CG 4.23Å; L55-L57 PolarHBondContact O-N 3.28Å; L57-I65 HydrophobicContact CD1-CD1 4.22Å
58S93Very high92.2Very high54 Ų5470.5 Ų70.538%0.37839%0.387SS..  trans-68.8148.8166.881.90000109.8S60 D61 L62S58-S60 PolarHBondContact O-N 3.41Å; S58-D61 PolarHBondContact O-N 2.94Å; S58-D61 VanDerWaalsContact O-N 3.13Å; S58-D61 WeakPolarHBondContact OG-CB 3.36Å; S58-D61 VanDerWaalsContact OG-CG 3.23Å; S58-D61 PolarHBondContact OG-N 3.03Å; S58-D61 PolarHBondContact OG-OD2 3.38Å; S58-L62 PolarHBondContact O-N 3.32Å
59V92.1Very high91.7Very high62 Ų6272.8 Ų72.838%0.37640%0.4SS..Hα-helixtrans-55.2-37.9172.6174.30000110.6L48 S52 L62 T63L48-V59 HydrophobicContact CB-CG1 4.21Å; L48-V59 HydrophobicContact CD1-CG1 4.49Å; S52-V59 WeakPolarHBondContact OG-CG2 3.44Å; V59-L62 PolarHBondContact O-N 2.83Å; V59-T63 HydrophobicContact CG1-CG2 4.23Å; V59-T63 WeakPolarHBondContact O-CB 3.35Å; V59-T63 VanDerWaalsContact O-CG2 3.27Å; V59-T63 WeakPolarHBondContact O-CG2 3.3Å; V59-T63 PolarHBondContact O-N 2.92Å; V59-T63 PolarHBondContact O-OG1 2.79Å; V59-T63 VanDerWaalsContact O-OG1 3.06Å
60S90.4Very high91.3Very high80 Ų8073.8 Ų73.856%0.55941%0.405SS*.Hα-helixtrans-61.5-47.7177.1-171.40000111.6S58 T63 R64S58-S60 PolarHBondContact O-N 3.41Å; S60-T63 PolarHBondContact O-N 2.59Å; S60-T63 PolarHBondContact O-OG1 3.22Å; S60-R64 VanDerWaalsContact O-CB 3.28Å; S60-R64 WeakPolarHBondContact O-CB 3.42Å; S60-R64 PolarHBondContact O-N 2.88Å
61D91.1Very high90.9Very high60 Ų6072 Ų7232%0.32140%0.396SS..Hα-helixtrans-66-42.8178.4-71.8-51.7000112S58 T63 R64 I65S58-D61 PolarHBondContact O-N 2.94Å; S58-D61 VanDerWaalsContact O-N 3.13Å; S58-D61 WeakPolarHBondContact OG-CB 3.36Å; S58-D61 VanDerWaalsContact OG-CG 3.23Å; S58-D61 PolarHBondContact OG-N 3.03Å; S58-D61 PolarHBondContact OG-OD2 3.38Å; D61-T63 PolarHBondContact O-N 3.05Å; D61-R64 PolarHBondContact O-N 2.99Å; D61-R64 IonicContact OD1-NE 2.78Å; D61-R64 IonicContact OD1-NH2 3.7Å; D61-R64 PolarHBondContact OD1-NH2 3.37Å; D61-I65 WeakPolarHBondContact O-CD1 3.49Å; D61-I65 VanDerWaalsContact O-CG1 3.23Å; D61-I65 WeakPolarHBondContact O-CG1 3.47Å; D61-I65 PolarHBondContact O-N 3.24Å
62L93Very high90.4Very high8 Ų868.6 Ų68.64%0.04238%0.38CS..Hα-helixtrans-58.8-49.8175.8178.360.3000111L48 M51 L55 S58 V59 R64 I65 L66L48-L62 HydrophobicContact CD2-CD2 4.05Å; L48-L62 HydrophobicContact CD2-CG 4.42Å; M51-L62 HydrophobicContact CB-CD2 3.64Å; M51-L62 HydrophobicContact CE-CD2 4.42Å; L55-L62 HydrophobicContact CD1-CD1 4.04Å; S58-L62 PolarHBondContact O-N 3.32Å; V59-L62 PolarHBondContact O-N 2.83Å; L62-R64 VanDerWaalsContact C-N 3.33Å; L62-R64 PolarHBondContact O-N 3.38Å; L62-I65 PolarHBondContact O-N 2.74Å; L62-L66 HydrophobicContact CD1-CD1 4Å; L62-L66 HydrophobicContact CD1-CG 4.18Å; L62-L66 HydrophobicContact CG-CD1 4.02Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.4Å; L62-L66 PolarHBondContact O-N 2.8Å
63T92.4Very high89.7Confident25 Ų2572.2 Ų72.215%0.15340%0.395CS..Hα-helixtrans-62.5-40.6178.456.40000112.3L48 V59 S60 D61 L66 V67L48-T63 HydrophobicContact CD1-CG2 3.72Å; L48-T63 HydrophobicContact CD2-CG2 4.13Å; V59-T63 HydrophobicContact CG1-CG2 4.23Å; V59-T63 WeakPolarHBondContact O-CB 3.35Å; V59-T63 VanDerWaalsContact O-CG2 3.27Å; V59-T63 WeakPolarHBondContact O-CG2 3.3Å; V59-T63 PolarHBondContact O-N 2.92Å; V59-T63 PolarHBondContact O-OG1 2.79Å; V59-T63 VanDerWaalsContact O-OG1 3.06Å; S60-T63 PolarHBondContact O-N 2.59Å; S60-T63 PolarHBondContact O-OG1 3.22Å; D61-T63 PolarHBondContact O-N 3.05Å; T63-L66 PolarHBondContact O-N 3.07Å; T63-V67 WeakPolarHBondContact O-CB 3.46Å; T63-V67 VanDerWaalsContact O-CG2 3.24Å; T63-V67 WeakPolarHBondContact O-CG2 3.5Å; T63-V67 PolarHBondContact O-N 3.04Å
64R90.7Very high89.2Confident82 Ų8268.9 Ų68.931%0.30938%0.38SS..Hα-helixtrans-60.3-50.8176.8179.8-176.760.571.23.5111.1S60 D61 L62 L66 V67 E68S60-R64 VanDerWaalsContact O-CB 3.28Å; S60-R64 WeakPolarHBondContact O-CB 3.42Å; S60-R64 PolarHBondContact O-N 2.88Å; D61-R64 PolarHBondContact O-N 2.99Å; D61-R64 IonicContact OD1-NE 2.78Å; D61-R64 IonicContact OD1-NH2 3.7Å; D61-R64 PolarHBondContact OD1-NH2 3.37Å; L62-R64 VanDerWaalsContact C-N 3.33Å; L62-R64 PolarHBondContact O-N 3.38Å; R64-L66 PolarHBondContact O-N 2.95Å; R64-V67 PolarHBondContact O-N 3.31Å; R64-E68 WeakPolarHBondContact CD-OE1 3.14Å; R64-E68 HydrophobicContact CG-CG 4.3Å; R64-E68 WeakPolarHBondContact CG-OE1 3.24Å; R64-E68 IonicContact CZ-OE1 2.64Å; R64-E68 IonicContact NH1-OE1 3.83Å; R64-E68 PolarHBondContact NH1-OE1 2.9Å; R64-E68 IonicContact NH1-OE2 3.47Å; R64-E68 WeakPolarHBondContact O-CB 3.42Å; R64-E68 WeakPolarHBondContact O-CG 3.48Å; R64-E68 PolarHBondContact O-N 2.87Å
65I89.4Confident88.8Confident59 Ų5962.3 Ų62.330%0.30335%0.349SS..Hα-helixtrans-56.7-50.9178.2-68.3163000110.1L57 D61 L62 V67 E68 D69L57-I65 HydrophobicContact CD1-CD1 4.22Å; D61-I65 WeakPolarHBondContact O-CD1 3.49Å; D61-I65 VanDerWaalsContact O-CG1 3.23Å; D61-I65 WeakPolarHBondContact O-CG1 3.47Å; D61-I65 PolarHBondContact O-N 3.24Å; L62-I65 PolarHBondContact O-N 2.74Å; I65-V67 VanDerWaalsContact C-N 3.35Å; I65-V67 PolarHBondContact O-N 3.02Å; I65-E68 PolarHBondContact O-N 3.11Å; I65-D69 WeakPolarHBondContact O-CB 3.42Å; I65-D69 PolarHBondContact O-N 3.38Å
66L91.7Very high88.5Confident83 Ų8358.1 Ų58.144%0.43533%0.327SS..Hα-helixtrans-61.5-40.3-178.6-67.8172.8000112.8L48 L62 T63 R64 A70L48-L66 HydrophobicContact CD2-CD1 4.35Å; L62-L66 HydrophobicContact CD1-CD1 4Å; L62-L66 HydrophobicContact CD1-CG 4.18Å; L62-L66 HydrophobicContact CG-CD1 4.02Å; L62-L66 VanDerWaalsContact O-CG 3.26Å; L62-L66 WeakPolarHBondContact O-CG 3.4Å; L62-L66 PolarHBondContact O-N 2.8Å; T63-L66 PolarHBondContact O-N 3.07Å; R64-L66 PolarHBondContact O-N 2.95Å; L66-A70 VanDerWaalsContact O-CB 3.3Å; L66-A70 WeakPolarHBondContact O-CB 3.15Å; L66-A70 PolarHBondContact O-N 2.88Å
67V90.4Very high87.8Confident78 Ų7855.9 Ų55.947%0.47331%0.31SS..Hα-helixtrans-73.3-44.3179.6172.10000111.4T63 R64 I65 D69 A70 L71T63-V67 WeakPolarHBondContact O-CB 3.46Å; T63-V67 VanDerWaalsContact O-CG2 3.24Å; T63-V67 WeakPolarHBondContact O-CG2 3.5Å; T63-V67 PolarHBondContact O-N 3.04Å; R64-V67 PolarHBondContact O-N 3.31Å; I65-V67 VanDerWaalsContact C-N 3.35Å; I65-V67 PolarHBondContact O-N 3.02Å; V67-D69 VanDerWaalsContact C-N 3.32Å; V67-D69 PolarHBondContact O-N 3.18Å; V67-A70 PolarHBondContact O-N 3.21Å; V67-L71 HydrophobicContact CG1-CD1 3.85Å; V67-L71 HydrophobicContact CG1-CG 4.3Å; V67-L71 WeakPolarHBondContact O-CB 3.19Å; V67-L71 VanDerWaalsContact O-CG 3.32Å; V67-L71 WeakPolarHBondContact O-CG 3.36Å; V67-L71 PolarHBondContact O-N 2.84Å
68E87.4Confident87Confident66 Ų6655.8 Ų55.831%0.30832%0.319SS..Hα-helixtrans-59.6-43.1175.8-77.2-178.7-149.400111.5R29 R64 I65 S72R29-E68 IonicContact NH1-OE2 3.67Å; R64-E68 WeakPolarHBondContact CD-OE1 3.14Å; R64-E68 HydrophobicContact CG-CG 4.3Å; R64-E68 WeakPolarHBondContact CG-OE1 3.24Å; R64-E68 IonicContact CZ-OE1 2.64Å; R64-E68 IonicContact NH1-OE1 3.83Å; R64-E68 PolarHBondContact NH1-OE1 2.9Å; R64-E68 IonicContact NH1-OE2 3.47Å; R64-E68 WeakPolarHBondContact O-CB 3.42Å; R64-E68 WeakPolarHBondContact O-CG 3.48Å; R64-E68 PolarHBondContact O-N 2.87Å; I65-E68 PolarHBondContact O-N 3.11Å; E68-S72 VanDerWaalsContact O-CB 3.29Å; E68-S72 WeakPolarHBondContact O-CB 3.47Å; E68-S72 PolarHBondContact O-N 3.25Å; E68-S72 PolarHBondContact O-OG 3.06Å
69D84.2Confident86.2Confident67 Ų6756.7 Ų56.736%0.35832%0.32SS..Hα-helixtrans-65.4-48.2176.4-82.7-27.4000111.6I65 V67 L71 S72 E73 R83I65-D69 WeakPolarHBondContact O-CB 3.42Å; I65-D69 PolarHBondContact O-N 3.38Å; V67-D69 VanDerWaalsContact C-N 3.32Å; V67-D69 PolarHBondContact O-N 3.18Å; D69-L71 PolarHBondContact O-N 3.1Å; D69-S72 PolarHBondContact O-N 3Å; D69-E73 WeakPolarHBondContact O-CB 3.44Å; D69-E73 WeakPolarHBondContact O-CG 3.48Å; D69-E73 PolarHBondContact O-N 3.32Å; D69-R83 IonicContact OD1-CZ 3.99Å; D69-R83 IonicContact OD1-NH2 3.73Å; D69-R83 PolarHBondContact OD1-NH2 2.87Å
70A86.2Confident85.6Confident48 Ų4853.9 Ų53.940%0.39730%0.303SS..Hα-helixtrans-59.4-45178.100000112.4L66 V67 E73 M74L66-A70 VanDerWaalsContact O-CB 3.3Å; L66-A70 WeakPolarHBondContact O-CB 3.15Å; L66-A70 PolarHBondContact O-N 2.88Å; V67-A70 PolarHBondContact O-N 3.21Å; A70-E73 PolarHBondContact O-N 3.34Å; A70-M74 VanDerWaalsContact O-CG 3.25Å; A70-M74 WeakPolarHBondContact O-CG 3.46Å; A70-M74 PolarHBondContact O-N 3.39Å
71L87.2Confident85.1Confident58 Ų5854 Ų5430%0.30430%0.296SS..Hα-helixtrans-66.8-41.5177.9-70.9175000111.7L25 V67 D69 E73 M74 F75L25-L71 HydrophobicContact CD1-CB 4.39Å; L25-L71 HydrophobicContact CD2-CB 4.15Å; L25-L71 HydrophobicContact CD2-CD1 4.37Å; V67-L71 HydrophobicContact CG1-CD1 3.85Å; V67-L71 HydrophobicContact CG1-CG 4.3Å; V67-L71 WeakPolarHBondContact O-CB 3.19Å; V67-L71 VanDerWaalsContact O-CG 3.32Å; V67-L71 WeakPolarHBondContact O-CG 3.36Å; V67-L71 PolarHBondContact O-N 2.84Å; D69-L71 PolarHBondContact O-N 3.1Å; L71-E73 PolarHBondContact O-N 3.12Å; L71-M74 PolarHBondContact O-N 3.46Å; L71-F75 HydrophobicContact CD2-CD2 4.44Å; L71-F75 HydrophobicContact CD2-CE2 4.13Å; L71-F75 WeakPolarHBondContact O-CD2 3.4Å; L71-F75 PolarHBondContact O-N 3Å
72S83.7Confident84.5Confident4 Ų454.1 Ų54.13%0.02830%0.299CS..Hα-helixtrans-58.6-50.9175.1-59.10000109.9E68 D69 M74 F75 L76 N80 R83E68-S72 VanDerWaalsContact O-CB 3.29Å; E68-S72 WeakPolarHBondContact O-CB 3.47Å; E68-S72 PolarHBondContact O-N 3.25Å; E68-S72 PolarHBondContact O-OG 3.06Å; D69-S72 PolarHBondContact O-N 3Å; S72-M74 PolarHBondContact O-N 3.45Å; S72-F75 PolarHBondContact O-N 3.33Å; S72-L76 CarbonylContact O-C 3.58Å; S72-L76 WeakPolarHBondContact O-CA 3.38Å; S72-L76 PolarHBondContact O-N 2.92Å; S72-N80 WeakPolarHBondContact CB-OD1 3.47Å; S72-N80 PolarHBondContact O-ND2 2.89Å; S72-R83 VanDerWaalsContact CB-NH1 3.32Å; S72-R83 VanDerWaalsContact CB-NH2 3.3Å; S72-R83 PolarHBondContact OG-NH1 2.85Å; S72-R83 VanDerWaalsContact OG-NH1 3.1Å; S72-R83 PolarHBondContact OG-NH2 3.34Å
73E80.9Confident84Confident93 Ų9357.2 Ų57.244%0.43531%0.31SS..Hα-helixtrans-52.6-37.9179.5-77-167.416100112.7D69 A70 L71 N80 R84D69-E73 WeakPolarHBondContact O-CB 3.44Å; D69-E73 WeakPolarHBondContact O-CG 3.48Å; D69-E73 PolarHBondContact O-N 3.32Å; A70-E73 PolarHBondContact O-N 3.34Å; L71-E73 PolarHBondContact O-N 3.12Å; E73-N80 WeakPolarHBondContact CA-ND2 3.3Å; E73-N80 PolarHBondContact N-ND2 3.19Å; E73-R84 VanDerWaalsContact CD-NH2 3.31Å; E73-R84 IonicContact OE1-CZ 3.99Å; E73-R84 IonicContact OE1-NE 3.77Å; E73-R84 IonicContact OE1-NH2 3.85Å; E73-R84 PolarHBondContact OE1-NH2 2.98Å; E73-R84 IonicContact OE2-NH2 3.06Å
74M81.7Confident83.6Confident87 Ų8758.5 Ų58.543%0.42931%0.312SS..Hα-helixtrans-77.1-43-180-67.617767.100113.7M12 A70 L71 S72M12-M74 HydrophobicContact CB-CE 4.42Å; M12-M74 HydrophobicContact CE-CE 4.15Å; M12-M74 HydrophobicContact SD-CE 3.31Å; M12-M74 WeakPolarHBondContact SD-CE 3.37Å; A70-M74 VanDerWaalsContact O-CG 3.25Å; A70-M74 WeakPolarHBondContact O-CG 3.46Å; A70-M74 PolarHBondContact O-N 3.39Å; L71-M74 PolarHBondContact O-N 3.46Å; S72-M74 PolarHBondContact O-N 3.45Å
75F84.2Confident83.4Confident13 Ų1355.7 Ų55.76%0.05730%0.303CS..Hα-helixtrans-104.3-29.2-167.3-68.5-75000114.4M12 L16 R18 I21 L25 L71 S72 P77M12-F75 HydrophobicContact CE-CE2 4.05Å; M12-F75 HydrophobicContact CE-CZ 3.93Å; L16-F75 HydrophobicContact CD1-CE1 4.4Å; L16-F75 HydrophobicContact CD1-CZ 3.94Å; R18-F75 HydrophobicContact CG-CD1 4.28Å; R18-F75 PolarHBondContact NH2-O 2.85Å; I21-F75 HydrophobicContact CB-CD1 4.47Å; I21-F75 HydrophobicContact CD1-CE1 3.88Å; I21-F75 HydrophobicContact CD1-CZ 3.99Å; I21-F75 HydrophobicContact CG2-CB 4.32Å; I21-F75 HydrophobicContact CG2-CD1 3.98Å; I21-F75 HydrophobicContact CG2-CD2 3.82Å; I21-F75 HydrophobicContact CG2-CE1 4.26Å; I21-F75 HydrophobicContact CG2-CE2 4.12Å; I21-F75 HydrophobicContact CG2-CG 3.75Å; I21-F75 HydrophobicContact CG2-CZ 4.33Å; L25-F75 HydrophobicContact CD1-CB 4.02Å; L25-F75 HydrophobicContact CD1-CD2 4.5Å; L71-F75 HydrophobicContact CD2-CD2 4.44Å; L71-F75 HydrophobicContact CD2-CE2 4.13Å; L71-F75 WeakPolarHBondContact O-CD2 3.4Å; L71-F75 PolarHBondContact O-N 3Å; S72-F75 PolarHBondContact O-N 3.33Å; F75-P77 WeakPolarHBondContact O-CD 3.24Å
76L83.7Confident83.3Confident13 Ų1353.9 Ų53.97%0.06829%0.294CS..  trans-118.751.5-174.4-58.6174.8000112.6C22 L25 L26 S72 A78 D79 N80C22-L76 HydrophobicContact CB-CD2 3.8Å; C22-L76 VanDerWaalsContact SG-CD2 3.57Å; L25-L76 HydrophobicContact CB-CD1 3.92Å; L25-L76 HydrophobicContact CD1-CD1 4.16Å; L25-L76 HydrophobicContact CD1-CG 4.34Å; L26-L76 HydrophobicContact CD1-CD2 4.34Å; L26-L76 HydrophobicContact CD2-CD1 3.92Å; L26-L76 HydrophobicContact CG-CD1 4.2Å; L26-L76 HydrophobicContact CG-CD2 4.4Å; S72-L76 CarbonylContact O-C 3.58Å; S72-L76 WeakPolarHBondContact O-CA 3.38Å; S72-L76 PolarHBondContact O-N 2.92Å; L76-A78 VanDerWaalsContact C-N 3.27Å; L76-A78 PolarHBondContact O-N 2.87Å; L76-A78 VanDerWaalsContact O-N 3.16Å; L76-D79 HydrophobicContact CB-CB 4.12Å; L76-D79 PolarHBondContact O-N 2.89Å; L76-D79 VanDerWaalsContact O-N 3.15Å; L76-N80 VanDerWaalsContact C-ND2 3.3Å; L76-N80 PolarHBondContact O-N 2.81Å; L76-N80 PolarHBondContact O-ND2 2.9Å
77P78.4Confident83.1Confident64 Ų6452.7 Ų52.742%0.41629%0.292SS..Hα-helixtrans-58.1-35.5-170.724.4-34.7000113.7F75 N80 I81F75-P77 WeakPolarHBondContact O-CD 3.24Å; P77-N80 PolarHBondContact O-N 2.64Å; P77-I81 WeakPolarHBondContact O-CG1 3.26Å; P77-I81 PolarHBondContact O-N 3.16Å
78A74.9Confident83.2Confident67 Ų6750 Ų5055%0.55427%0.274SS*.Hα-helixtrans-66.9-49.317700000111.8L76 N80 I81 V82L76-A78 VanDerWaalsContact C-N 3.27Å; L76-A78 PolarHBondContact O-N 2.87Å; L76-A78 VanDerWaalsContact O-N 3.16Å; A78-N80 PolarHBondContact O-N 3.47Å; A78-I81 WeakPolarHBondContact O-CB 3.46Å; A78-I81 PolarHBondContact O-N 2.98Å; A78-V82 PolarHBondContact O-N 3.48Å
79D77.2Confident83.3Confident73 Ų7347.1 Ų47.139%0.3926%0.26SS..Hα-helixtrans-61.2-33.4176.7-59.5-26.5000111.2L76 I81 V82 R83L76-D79 HydrophobicContact CB-CB 4.12Å; L76-D79 PolarHBondContact O-N 2.89Å; L76-D79 VanDerWaalsContact O-N 3.15Å; D79-I81 VanDerWaalsContact C-N 3.34Å; D79-I81 PolarHBondContact O-N 3.12Å; D79-V82 PolarHBondContact O-N 3Å; D79-R83 VanDerWaalsContact O-CB 3.28Å; D79-R83 WeakPolarHBondContact O-CB 2.93Å; D79-R83 PolarHBondContact O-N 3.47Å
80N78.4Confident83.6Confident4 Ų448.6 Ų48.62%0.02127%0.265CS..Hα-helixtrans-68-32.4174.8-62.4-52.7000113.2S72 E73 L76 P77 A78 V82 R83 R84S72-N80 WeakPolarHBondContact CB-OD1 3.47Å; S72-N80 PolarHBondContact O-ND2 2.89Å; E73-N80 WeakPolarHBondContact CA-ND2 3.3Å; E73-N80 PolarHBondContact N-ND2 3.19Å; L76-N80 VanDerWaalsContact C-ND2 3.3Å; L76-N80 PolarHBondContact O-N 2.81Å; L76-N80 PolarHBondContact O-ND2 2.9Å; P77-N80 PolarHBondContact O-N 2.64Å; A78-N80 PolarHBondContact O-N 3.47Å; N80-V82 VanDerWaalsContact C-N 3.33Å; N80-R83 VanDerWaalsContact OD1-CZ 3.27Å; N80-R83 PolarHBondContact OD1-NH1 2.95Å; N80-R83 PolarHBondContact OD1-NH2 3.47Å; N80-R84 WeakPolarHBondContact O-CB 3.31Å; N80-R84 WeakPolarHBondContact O-CD 3.24Å; N80-R84 WeakPolarHBondContact O-CG 3.37Å; N80-R84 PolarHBondContact O-N 3.44Å
81I79.5Confident83.9Confident81 Ų8150.3 Ų50.342%0.41527%0.265SS..Hα-helixtrans-63-47.4175.7-68.2164.7000108.8P77 A78 D79 R84 L85P77-I81 WeakPolarHBondContact O-CG1 3.26Å; P77-I81 PolarHBondContact O-N 3.16Å; A78-I81 WeakPolarHBondContact O-CB 3.46Å; A78-I81 PolarHBondContact O-N 2.98Å; D79-I81 VanDerWaalsContact C-N 3.34Å; D79-I81 PolarHBondContact O-N 3.12Å; I81-R84 PolarHBondContact O-N 2.84Å; I81-L85 PolarHBondContact O-N 2.87Å
82V79.6Confident84.2Confident63 Ų6347.5 Ų47.538%0.38225%0.25SS..Hα-helixtrans-62.4-47.4177.3-179.70000111.3A78 D79 N80 R84 L85 L86 T124A78-V82 PolarHBondContact O-N 3.48Å; D79-V82 PolarHBondContact O-N 3Å; N80-V82 VanDerWaalsContact C-N 3.33Å; V82-R84 VanDerWaalsContact C-N 3.33Å; V82-R84 PolarHBondContact O-N 3.49Å; V82-L85 WeakPolarHBondContact O-CB 3.48Å; V82-L85 PolarHBondContact O-N 2.93Å; V82-L86 PolarHBondContact O-N 3.45Å; V82-T124 HydrophobicContact CG1-CG2 3.55Å
83R81.5Confident84.7Confident74 Ų7448.7 Ų48.728%0.27926%0.255SS..Hα-helixtrans-62.8-38.7177.3-169.2172.577.6-145.113.6112.3D69 S72 D79 N80 L86 S87D69-R83 IonicContact OD1-CZ 3.99Å; D69-R83 IonicContact OD1-NH2 3.73Å; D69-R83 PolarHBondContact OD1-NH2 2.87Å; S72-R83 VanDerWaalsContact CB-NH1 3.32Å; S72-R83 VanDerWaalsContact CB-NH2 3.3Å; S72-R83 PolarHBondContact OG-NH1 2.85Å; S72-R83 VanDerWaalsContact OG-NH1 3.1Å; S72-R83 PolarHBondContact OG-NH2 3.34Å; D79-R83 VanDerWaalsContact O-CB 3.28Å; D79-R83 WeakPolarHBondContact O-CB 2.93Å; D79-R83 PolarHBondContact O-N 3.47Å; N80-R83 VanDerWaalsContact OD1-CZ 3.27Å; N80-R83 PolarHBondContact OD1-NH1 2.95Å; N80-R83 PolarHBondContact OD1-NH2 3.47Å; R83-L86 PolarHBondContact O-N 3.2Å; R83-S87 WeakPolarHBondContact O-CB 3.24Å; R83-S87 PolarHBondContact O-N 3.42Å; R83-S87 PolarHBondContact O-OG 3.3Å
84R83.9Confident85.3Confident51 Ų5150.5 Ų50.519%0.19226%0.264CS..Hα-helixtrans-64.8-39176.4-78.7169.5-179.5-175.74.3111.4E73 N80 I81 V82 S87 R88 G148E73-R84 VanDerWaalsContact CD-NH2 3.31Å; E73-R84 IonicContact OE1-CZ 3.99Å; E73-R84 IonicContact OE1-NE 3.77Å; E73-R84 IonicContact OE1-NH2 3.85Å; E73-R84 PolarHBondContact OE1-NH2 2.98Å; E73-R84 IonicContact OE2-NH2 3.06Å; N80-R84 WeakPolarHBondContact O-CB 3.31Å; N80-R84 WeakPolarHBondContact O-CD 3.24Å; N80-R84 WeakPolarHBondContact O-CG 3.37Å; N80-R84 PolarHBondContact O-N 3.44Å; I81-R84 PolarHBondContact O-N 2.84Å; V82-R84 VanDerWaalsContact C-N 3.33Å; V82-R84 PolarHBondContact O-N 3.49Å; R84-S87 PolarHBondContact O-N 2.92Å; R84-R88 WeakPolarHBondContact O-CB 3.32Å; R84-R88 WeakPolarHBondContact O-CG 3.5Å; R84-R88 PolarHBondContact O-N 3.23Å; R84-G148 PolarHBondContact NH1-O 2.9Å
85L87.4Confident85.8Confident24 Ų2447 Ų4713%0.12625%0.249CC..Hα-helixtrans-55.5-53.5175-79.1158.6000111I81 V82 R88 M89 L127 L132 L146I81-L85 PolarHBondContact O-N 2.87Å; V82-L85 WeakPolarHBondContact O-CB 3.48Å; V82-L85 PolarHBondContact O-N 2.93Å; L85-R88 PolarHBondContact O-N 3.35Å; L85-M89 PolarHBondContact O-N 2.99Å; L85-M89 VanDerWaalsContact O-N 3.09Å; L85-L127 HydrophobicContact CB-CD1 4.34Å; L85-L132 HydrophobicContact CD2-CD1 3.53Å; L85-L132 HydrophobicContact CD2-CD2 3.73Å; L85-L132 HydrophobicContact CD2-CG 4.28Å; L85-L146 WeakPolarHBondContact CD2-O 3.38Å
86L87.2Confident86.3Confident21 Ų2147.3 Ų47.311%0.1125%0.25CS..Hα-helixtrans-60.6-51.2177.6-71.2173.6000111.9V82 R83 R88 M89 E90 P120 L123 T124V82-L86 PolarHBondContact O-N 3.45Å; R83-L86 PolarHBondContact O-N 3.2Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 2.91Å; L86-M89 HydrophobicContact CD2-CE 4.04Å; L86-M89 PolarHBondContact O-N 3.02Å; L86-E90 WeakPolarHBondContact O-CG 3.48Å; L86-E90 PolarHBondContact O-N 2.95Å; L86-P120 HydrophobicContact CD1-CB 3.75Å; L86-P120 HydrophobicContact CD2-CB 4.48Å; L86-L123 HydrophobicContact CD2-CB 4.24Å; L86-L123 HydrophobicContact CD2-CD2 4.08Å; L86-L123 HydrophobicContact CD2-CG 4.2Å; L86-T124 HydrophobicContact CD1-CG2 3.55Å; L86-T124 HydrophobicContact CD2-CG2 3.64Å; L86-T124 HydrophobicContact CG-CG2 3.35Å
87S87.6Confident86.7Confident57 Ų5753.2 Ų53.240%0.39928%0.282SS..Hα-helixtrans-60.4-36.8-178.1-54.60000112R83 R84 H91R83-S87 WeakPolarHBondContact O-CB 3.24Å; R83-S87 PolarHBondContact O-N 3.42Å; R83-S87 PolarHBondContact O-OG 3.3Å; R84-S87 PolarHBondContact O-N 2.92Å; S87-H91 VanDerWaalsContact O-CB 3.23Å; S87-H91 WeakPolarHBondContact O-CB 3.34Å; S87-H91 PolarHBondContact O-N 3.21Å
88R91.6Very high87.4Confident23 Ų2351 Ų519%0.08727%0.266CS..Hα-helixtrans-72.7-37179.3-73175.1177.9-179-9.2111.9R84 L85 L86 H91 I92 W145 L146 V150R84-R88 WeakPolarHBondContact O-CB 3.32Å; R84-R88 WeakPolarHBondContact O-CG 3.5Å; R84-R88 PolarHBondContact O-N 3.23Å; L85-R88 PolarHBondContact O-N 3.35Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 2.91Å; R88-H91 PolarHBondContact O-N 3.39Å; R88-I92 VanDerWaalsContact O-CG1 3.31Å; R88-I92 WeakPolarHBondContact O-CG1 3.42Å; R88-I92 PolarHBondContact O-N 2.74Å; R88-W145 HydrophobicContact CB-CH2 3.76Å; R88-W145 HydrophobicContact CB-CZ2 4.04Å; R88-W145 HydrophobicContact CB-CZ3 4.02Å; R88-W145 WeakPolarHBondContact CD-O 3.47Å; R88-W145 HydrophobicContact CG-CD2 4.34Å; R88-W145 HydrophobicContact CG-CH2 3.9Å; R88-W145 HydrophobicContact CG-CZ2 3.62Å; R88-W145 HydrophobicContact CG-CZ3 4.37Å; R88-W145 VanDerWaalsContact CZ-O 3.27Å; R88-W145 PolarHBondContact NE-O 3.36Å; R88-W145 PolarHBondContact NH1-O 3.1Å; R88-L146 HydrophobicContact CB-CD2 4.35Å; R88-V150 VanDerWaalsContact CZ-O 3.29Å; R88-V150 PolarHBondContact NH1-O 3.42Å; R88-V150 PolarHBondContact NH2-O 3.44Å
89M90.6Very high88.3Confident5 Ų550.2 Ų50.23%0.02526%0.257CS..Hα-helixtrans-65.7-45.5172.1-179.8172.854.500111.6L85 L86 H91 I92 M93 F117 L123 L127L85-M89 PolarHBondContact O-N 2.99Å; L85-M89 VanDerWaalsContact O-N 3.09Å; L86-M89 HydrophobicContact CD2-CE 4.04Å; L86-M89 PolarHBondContact O-N 3.02Å; M89-H91 VanDerWaalsContact C-N 3.27Å; M89-H91 PolarHBondContact O-N 3Å; M89-I92 PolarHBondContact O-N 3.23Å; M89-M93 HydrophobicContact CG-SD 4.28Å; M89-M93 WeakPolarHBondContact O-CG 3.48Å; M89-M93 PolarHBondContact O-N 3.13Å; M89-F117 HydrophobicContact CE-CE1 4.32Å; M89-F117 HydrophobicContact SD-CE1 4.05Å; M89-L123 HydrophobicContact CE-CD1 4.34Å; M89-L123 HydrophobicContact CE-CD2 3.15Å; M89-L123 HydrophobicContact CE-CG 3.7Å; M89-L123 HydrophobicContact SD-CD2 4.37Å; M89-L127 HydrophobicContact CE-CD1 3.92Å; M89-L127 HydrophobicContact CE-CD2 4.46Å; M89-L127 HydrophobicContact SD-CD1 4.35Å; M89-L127 HydrophobicContact SD-CD2 3.98Å
90E90.5Very high89Confident98 Ų9848.6 Ų48.646%0.45825%0.254SS..Hα-helixtrans-59.2-40.9173.1-71.6178.7167.100111.3L86 M93 Q94L86-E90 WeakPolarHBondContact O-CG 3.48Å; L86-E90 PolarHBondContact O-N 2.95Å; E90-M93 WeakPolarHBondContact O-CB 3.46Å; E90-M93 PolarHBondContact O-N 3.39Å; E90-Q94 WeakPolarHBondContact O-CB 3.38Å; E90-Q94 VanDerWaalsContact O-CG 3.3Å; E90-Q94 WeakPolarHBondContact O-CG 3.29Å; E90-Q94 PolarHBondContact O-N 3.01Å
91H92Very high89.6Confident83 Ų8352.8 Ų52.838%0.38428%0.28SS..Hα-helixtrans-62.8-43.6176.6-171.960.6000112.2S87 R88 M89 M93 Q94 A95 L261S87-H91 VanDerWaalsContact O-CB 3.23Å; S87-H91 WeakPolarHBondContact O-CB 3.34Å; S87-H91 PolarHBondContact O-N 3.21Å; R88-H91 PolarHBondContact O-N 3.39Å; M89-H91 VanDerWaalsContact C-N 3.27Å; M89-H91 PolarHBondContact O-N 3Å; H91-M93 VanDerWaalsContact C-N 3.33Å; H91-M93 PolarHBondContact O-N 3.49Å; H91-Q94 PolarHBondContact O-N 2.99Å; H91-A95 WeakPolarHBondContact O-CB 3.23Å; H91-A95 PolarHBondContact O-N 2.92Å; H91-L261 WeakPolarHBondContact CD2-CD1 3.44Å; H91-L261 WeakPolarHBondContact NE2-CD1 3.19Å
92I93.7Very high90.3Very high0 Ų051 Ų510%027%0.273CS..Hα-helixtrans-58-49172-69.9163.9000109.9R88 M89 Q94 A95 H96 M103 F139 L141 W145 L146R88-I92 VanDerWaalsContact O-CG1 3.31Å; R88-I92 WeakPolarHBondContact O-CG1 3.42Å; R88-I92 PolarHBondContact O-N 2.74Å; M89-I92 PolarHBondContact O-N 3.23Å; I92-Q94 PolarHBondContact O-N 3.31Å; I92-A95 PolarHBondContact O-N 3.39Å; I92-H96 WeakPolarHBondContact O-CB 3.46Å; I92-H96 PolarHBondContact O-CD2 3.25Å; I92-H96 VanDerWaalsContact O-CD2 3.3Å; I92-H96 PolarHBondContact O-N 2.72Å; I92-M103 HydrophobicContact CG2-CE 4.35Å; I92-F139 HydrophobicContact CG2-CD1 4.06Å; I92-F139 HydrophobicContact CG2-CD2 3.92Å; I92-F139 HydrophobicContact CG2-CE1 4.09Å; I92-F139 HydrophobicContact CG2-CE2 3.95Å; I92-F139 HydrophobicContact CG2-CG 4Å; I92-F139 HydrophobicContact CG2-CZ 4.05Å; I92-L141 HydrophobicContact CD1-CD1 3.52Å; I92-L141 HydrophobicContact CG1-CD1 3.71Å; I92-W145 HydrophobicContact CD1-CZ3 3.96Å; I92-W145 HydrophobicContact CG1-CH2 4.23Å; I92-W145 HydrophobicContact CG1-CZ3 4.03Å; I92-L146 HydrophobicContact CD1-CD2 3.54Å; I92-L146 HydrophobicContact CD1-CG 4.48Å
93M94.1Very high91.1Very high28 Ų2848 Ų4814%0.13826%0.255CS..Hα-helixtrans-57.9-49.9-178.6-73.4173.162.600111.4M89 E90 H91 D97 I98 A100 M103 F117M89-M93 HydrophobicContact CG-SD 4.28Å; M89-M93 WeakPolarHBondContact O-CG 3.48Å; M89-M93 PolarHBondContact O-N 3.13Å; E90-M93 WeakPolarHBondContact O-CB 3.46Å; E90-M93 PolarHBondContact O-N 3.39Å; H91-M93 VanDerWaalsContact C-N 3.33Å; H91-M93 PolarHBondContact O-N 3.49Å; M93-D97 WeakPolarHBondContact O-CA 3.46Å; M93-D97 PolarHBondContact O-N 3.3Å; M93-I98 WeakPolarHBondContact CB-O 3.25Å; M93-I98 HydrophobicContact CG-CB 4.49Å; M93-I98 HydrophobicContact CG-CG2 4.47Å; M93-I98 PolarHBondContact O-N 2.99Å; M93-A100 HydrophobicContact CE-CB 4.12Å; M93-M103 HydrophobicContact CE-CB 4.32Å; M93-M103 HydrophobicContact CG-CB 4.42Å; M93-M103 HydrophobicContact CG-CE 3.45Å; M93-M103 VanDerWaalsContact CG-CE 3.45Å; M93-M103 HydrophobicContact CG-CG 4.44Å; M93-M103 HydrophobicContact SD-CB 4.17Å; M93-M103 HydrophobicContact SD-CE 4.26Å; M93-M103 HydrophobicContact SD-CG 4.15Å; M93-F117 HydrophobicContact SD-CD1 4.46Å; M93-F117 HydrophobicContact SD-CE1 4.16Å
94Q92.9Very high91.6Very high131 Ų13144.8 Ų44.861%0.61224%0.244SC*.Hα-helixtrans-62.7-48.2178-70.2171.9400111.7E90 H91 I92 H96 D97 R267E90-Q94 WeakPolarHBondContact O-CB 3.38Å; E90-Q94 VanDerWaalsContact O-CG 3.3Å; E90-Q94 WeakPolarHBondContact O-CG 3.29Å; E90-Q94 PolarHBondContact O-N 3.01Å; H91-Q94 PolarHBondContact O-N 2.99Å; I92-Q94 PolarHBondContact O-N 3.31Å; Q94-H96 VanDerWaalsContact C-N 3.28Å; Q94-H96 PolarHBondContact O-N 3.19Å; Q94-D97 PolarHBondContact O-N 3.25Å; Q94-R267 PolarHBondContact O-NH1 3.17Å; Q94-R267 PolarHBondContact O-NH2 3.39Å
95A93Very high92.1Very high14 Ų1444 Ų4412%0.11625%0.249CC..Hα-helixtrans-68.5-24.6-175.600000113.7H91 I92 L261 T263 R267H91-A95 WeakPolarHBondContact O-CB 3.23Å; H91-A95 PolarHBondContact O-N 2.92Å; I92-A95 PolarHBondContact O-N 3.39Å; A95-L261 HydrophobicContact CB-CD1 3.5Å; A95-T263 HydrophobicContact CB-CG2 3.68Å; A95-T263 WeakPolarHBondContact O-CG2 3.31Å; A95-T263 PolarHBondContact O-OG1 3.42Å; A95-R267 PolarHBondContact O-NE 3.19Å; A95-R267 PolarHBondContact O-NH2 2.92Å
96H93.6Very high92.5Very high19 Ų1942.9 Ų42.99%0.08824%0.243CC..Hα-helixtrans-104.7-0176.7-69.2-83.2000114.4I92 Q94 I98 F139I92-H96 WeakPolarHBondContact O-CB 3.46Å; I92-H96 PolarHBondContact O-CD2 3.25Å; I92-H96 VanDerWaalsContact O-CD2 3.3Å; I92-H96 PolarHBondContact O-N 2.72Å; Q94-H96 VanDerWaalsContact C-N 3.28Å; Q94-H96 PolarHBondContact O-N 3.19Å; H96-I98 HydrophobicContact CB-CD1 3.73Å; H96-I98 HydrophobicContact CB-CG1 3.84Å; H96-F139 HydrophobicContact CB-CE1 4.19Å; H96-F139 AromaticContact CD2-CD1 3.7Å; H96-F139 AromaticContact CE1-CD1 3.84Å; H96-F139 AromaticContact CG-CD1 3.89Å; H96-F139 AromaticContact CG-CE1 3.86Å; H96-F139 AromaticContact ND1-CD1 3.98Å; H96-F139 AromaticContact NE2-CD1 3.68Å
97D92.8Very high92.8Very high138 Ų13841.9 Ų41.974%0.73824%0.237SC*.THydrogen-bonded Turntrans60.444.2-177.6-160.631.3000112.4M93 Q94 R267M93-D97 WeakPolarHBondContact O-CA 3.46Å; M93-D97 PolarHBondContact O-N 3.3Å; Q94-D97 PolarHBondContact O-N 3.25Å; D97-R267 VanDerWaalsContact CB-NH2 3.28Å
98I94.3Very high93Very high16 Ų1641.7 Ų41.78%0.08224%0.239CC..  trans-101.2118.5-177.5-63.4179.1000108.8M93 H96 T102 M103 F139 I211M93-I98 WeakPolarHBondContact CB-O 3.25Å; M93-I98 HydrophobicContact CG-CB 4.49Å; M93-I98 HydrophobicContact CG-CG2 4.47Å; M93-I98 PolarHBondContact O-N 2.99Å; H96-I98 HydrophobicContact CB-CD1 3.73Å; H96-I98 HydrophobicContact CB-CG1 3.84Å; I98-T102 HydrophobicContact CG2-CG2 3.92Å; I98-M103 HydrophobicContact CG2-CB 3.97Å; I98-M103 HydrophobicContact CG2-CE 4.28Å; I98-F139 HydrophobicContact CD1-CE1 3.45Å; I98-F139 VanDerWaalsContact CD1-CE1 3.45Å; I98-F139 HydrophobicContact CD1-CZ 3.3Å; I98-I211 HydrophobicContact CD1-CG2 4.11Å
99S92.9Very high93.1Very high51 Ų5144.1 Ų44.136%0.35726%0.258SS..  trans-68.5157.7172.974.60000111.9T101 T102 M103S99-T101 PolarHBondContact O-N 2.98Å; S99-T101 PolarHBondContact OG-OG1 2.62Å; S99-T102 PolarHBondContact O-N 2.66Å; S99-T102 VanDerWaalsContact O-N 3.07Å; S99-T102 WeakPolarHBondContact OG-CB 3.24Å; S99-T102 PolarHBondContact OG-N 2.94Å; S99-T102 PolarHBondContact OG-OG1 2.88Å; S99-M103 PolarHBondContact O-N 2.87Å
100A91.3Very high93.3Very high40 Ų4047.2 Ų47.233%0.33127%0.269SS..Hα-helixtrans-57.1-33.5173.300000112.6M93 A104 F117M93-A100 HydrophobicContact CE-CB 4.12Å; A100-A104 VanDerWaalsContact O-CB 3.29Å; A100-A104 WeakPolarHBondContact O-CB 3.29Å; A100-A104 PolarHBondContact O-N 3.44Å; A100-F117 HydrophobicContact CB-CB 4.16Å; A100-F117 HydrophobicContact CB-CG 4.25Å
101T92.3Very high93.4Very high92 Ų9248.5 Ų48.556%0.56428%0.279SS*.Hα-helixtrans-67.7-41.3175.137.80000112.6S99 A105 P114S99-T101 PolarHBondContact O-N 2.98Å; S99-T101 PolarHBondContact OG-OG1 2.62Å; T101-A105 PolarHBondContact O-N 3.43Å; T101-P114 HydrophobicContact CG2-CB 4.35Å; T101-P114 HydrophobicContact CG2-CG 4.32Å
102T94.4Very high93.3Very high44 Ų4444.7 Ų44.727%0.2726%0.262SS..Hα-helixtrans-66.8-43.8175.8-53.10000110.6I98 S99 A105 L106 T209I98-T102 HydrophobicContact CG2-CG2 3.92Å; S99-T102 PolarHBondContact O-N 2.66Å; S99-T102 VanDerWaalsContact O-N 3.07Å; S99-T102 WeakPolarHBondContact OG-CB 3.24Å; S99-T102 PolarHBondContact OG-N 2.94Å; S99-T102 PolarHBondContact OG-OG1 2.88Å; T102-A105 WeakPolarHBondContact O-CB 3.47Å; T102-A105 PolarHBondContact O-N 2.91Å; T102-L106 WeakPolarHBondContact O-CG 3.31Å; T102-L106 PolarHBondContact O-N 3.13Å; T102-T209 HydrophobicContact CG2-CG2 3.58Å
103M94.9Very high93.1Very high0 Ų053.4 Ų53.40%030%0.295CS..Hα-helixtrans-63-42.8176.6-173.660.980.800111.7I92 M93 I98 S99 A105 L106 L107 F117 L135I92-M103 HydrophobicContact CG2-CE 4.35Å; M93-M103 HydrophobicContact CE-CB 4.32Å; M93-M103 HydrophobicContact CG-CB 4.42Å; M93-M103 HydrophobicContact CG-CE 3.45Å; M93-M103 VanDerWaalsContact CG-CE 3.45Å; M93-M103 HydrophobicContact CG-CG 4.44Å; M93-M103 HydrophobicContact SD-CB 4.17Å; M93-M103 HydrophobicContact SD-CE 4.26Å; M93-M103 HydrophobicContact SD-CG 4.15Å; I98-M103 HydrophobicContact CG2-CB 3.97Å; I98-M103 HydrophobicContact CG2-CE 4.28Å; S99-M103 PolarHBondContact O-N 2.87Å; M103-A105 VanDerWaalsContact C-N 3.3Å; M103-A105 PolarHBondContact O-N 3.47Å; M103-L106 WeakPolarHBondContact O-CB 3.12Å; M103-L106 PolarHBondContact O-N 3.26Å; M103-L106 HydrophobicContact SD-CD1 4.12Å; M103-L107 HydrophobicContact CG-CD1 4.13Å; M103-L107 WeakPolarHBondContact O-CG 3.3Å; M103-L107 PolarHBondContact O-N 3.33Å; M103-L107 HydrophobicContact SD-CD1 4.37Å; M103-L107 HydrophobicContact SD-CG 4.44Å; M103-F117 HydrophobicContact CB-CE1 4.14Å; M103-F117 HydrophobicContact CB-CZ 3.94Å; M103-F117 HydrophobicContact CG-CE1 3.69Å; M103-F117 HydrophobicContact CG-CZ 3.48Å; M103-F117 VanDerWaalsContact CG-CZ 3.48Å; M103-L135 HydrophobicContact CE-CD2 4.35Å; M103-L135 HydrophobicContact SD-CD2 3.88Å
104A93.5Very high92.7Very high5 Ų555 Ų554%0.04131%0.307CS..Hα-helixtrans-61.8-37174.600000112.7A100 L107 A108 P114 F117A100-A104 VanDerWaalsContact O-CB 3.29Å; A100-A104 WeakPolarHBondContact O-CB 3.29Å; A100-A104 PolarHBondContact O-N 3.44Å; A104-L107 CarbonylContact O-C 3.58Å; A104-L107 PolarHBondContact O-N 3.42Å; A104-A108 PolarHBondContact O-N 2.85Å; A104-P114 HydrophobicContact CB-CB 4.24Å; A104-P114 HydrophobicContact CB-CG 3.65Å; A104-F117 HydrophobicContact CB-CD2 4.28Å; A104-F117 HydrophobicContact CB-CE2 3.79Å
105A94.3Very high92.5Very high36 Ų3651.4 Ų51.430%0.29830%0.3SS..Hα-helixtrans-65.9-39.7175.300000112.1T101 T102 M103 L107 A108 T209T101-A105 PolarHBondContact O-N 3.43Å; T102-A105 WeakPolarHBondContact O-CB 3.47Å; T102-A105 PolarHBondContact O-N 2.91Å; M103-A105 VanDerWaalsContact C-N 3.3Å; M103-A105 PolarHBondContact O-N 3.47Å; A105-L107 VanDerWaalsContact C-N 3.26Å; A105-L107 PolarHBondContact O-N 2.93Å; A105-A108 WeakPolarHBondContact O-CB 3.45Å; A105-A108 PolarHBondContact O-N 2.77Å; A105-T209 HydrophobicContact CB-CG2 4.41Å; A105-T209 VanDerWaalsContact CB-OG1 3.24Å; A105-T209 WeakPolarHBondContact CB-OG1 3.19Å
106L95Very high92.4Very high0 Ų051.2 Ų51.20%030%0.297CS..Hα-helixtrans-60.1-38.4171.1-68.1167.7000111.8T102 M103 A108 W138 F139 I206 N207 T209 I211T102-L106 WeakPolarHBondContact O-CG 3.31Å; T102-L106 PolarHBondContact O-N 3.13Å; M103-L106 WeakPolarHBondContact O-CB 3.12Å; M103-L106 PolarHBondContact O-N 3.26Å; M103-L106 HydrophobicContact SD-CD1 4.12Å; L106-A108 VanDerWaalsContact C-N 3.31Å; L106-A108 PolarHBondContact O-N 2.78Å; L106-W138 HydrophobicContact CB-CH2 4.44Å; L106-W138 HydrophobicContact CB-CZ3 3.85Å; L106-W138 WeakPolarHBondContact O-CH2 3.28Å; L106-F139 HydrophobicContact CD1-CZ 4.34Å; L106-I206 HydrophobicContact CD2-CB 3.9Å; L106-I206 HydrophobicContact CD2-CG2 4.18Å; L106-N207 PolarHBondContact O-ND2 3.14Å; L106-T209 HydrophobicContact CD2-CG2 4.05Å; L106-T209 HydrophobicContact CG-CG2 4.11Å; L106-I211 HydrophobicContact CD1-CG2 3.67Å; L106-I211 HydrophobicContact CD2-CG2 3.86Å; L106-I211 HydrophobicContact CG-CG2 4.24Å
107L94.4Very high92.1Very high0 Ų051.9 Ų51.90%030%0.3CS..THydrogen-bonded Turntrans-89.48.4-178.5-60.9178.1000114M103 A104 A105 P109 W110 I112 F117 I131 L135 W138M103-L107 HydrophobicContact CG-CD1 4.13Å; M103-L107 WeakPolarHBondContact O-CG 3.3Å; M103-L107 PolarHBondContact O-N 3.33Å; M103-L107 HydrophobicContact SD-CD1 4.37Å; M103-L107 HydrophobicContact SD-CG 4.44Å; A104-L107 CarbonylContact O-C 3.58Å; A104-L107 PolarHBondContact O-N 3.42Å; A105-L107 VanDerWaalsContact C-N 3.26Å; A105-L107 PolarHBondContact O-N 2.93Å; L107-P109 VanDerWaalsContact C-N 3.32Å; L107-W110 HydrophobicContact CD2-CE3 4.27Å; L107-W110 HydrophobicContact CD2-CZ3 4.27Å; L107-W110 PolarHBondContact O-N 3.43Å; L107-W110 VanDerWaalsContact O-N 3.07Å; L107-I112 HydrophobicContact CB-CB 3.9Å; L107-I112 HydrophobicContact CB-CD1 4.07Å; L107-I112 HydrophobicContact CB-CG1 4.37Å; L107-I112 HydrophobicContact CB-CG2 4.47Å; L107-I112 HydrophobicContact CD1-CD1 3.92Å; L107-I112 HydrophobicContact CD1-CG2 4.34Å; L107-I112 HydrophobicContact CG-CD1 4.48Å; L107-F117 HydrophobicContact CD1-CZ 3.96Å; L107-I131 HydrophobicContact CD2-CG2 3.74Å; L107-L135 HydrophobicContact CD2-CD2 4.32Å; L107-L135 HydrophobicContact CD2-CG 4.48Å; L107-W138 HydrophobicContact CD2-CZ3 4.22Å
108A91.9Very high91.6Very high53 Ų5355.6 Ų55.644%0.43830%0.304SS..G310 helixtrans-53.8-36.9-178.700000114.5A104 A105 L106 W110 N111A104-A108 PolarHBondContact O-N 2.85Å; A105-A108 WeakPolarHBondContact O-CB 3.45Å; A105-A108 PolarHBondContact O-N 2.77Å; L106-A108 VanDerWaalsContact C-N 3.31Å; L106-A108 PolarHBondContact O-N 2.78Å; A108-W110 PolarHBondContact O-N 3.47Å; A108-W110 VanDerWaalsContact O-N 3.13Å; A108-N111 PolarHBondContact O-N 3.36Å
109P93.6Very high91.3Very high73 Ų7359.1 Ų59.147%0.47432%0.32SS..G310 helixtrans-58.8-25.1177.7-27.136.6000114.7L107 N207L107-P109 VanDerWaalsContact C-N 3.32Å; P109-N207 WeakPolarHBondContact CD-ND2 3.11Å; P109-N207 HydrophobicContact CG-CB 4.41Å; P109-N207 VanDerWaalsContact CG-CG 3.48Å; P109-N207 VanDerWaalsContact CG-ND2 3.28Å; P109-N207 WeakPolarHBondContact CG-ND2 3.5Å
110W94Very high90.8Very high71 Ų7159.5 Ų59.527%0.26932%0.321SS..G310 helixtrans-99.816.6177.7-59.2-90.4000113.1L107 A108 I112 I131 A134 W138L107-W110 HydrophobicContact CD2-CE3 4.27Å; L107-W110 HydrophobicContact CD2-CZ3 4.27Å; L107-W110 PolarHBondContact O-N 3.43Å; L107-W110 VanDerWaalsContact O-N 3.07Å; A108-W110 PolarHBondContact O-N 3.47Å; A108-W110 VanDerWaalsContact O-N 3.13Å; W110-I112 HydrophobicContact CB-CD1 4.43Å; W110-I112 HydrophobicContact CB-CG1 4.31Å; W110-I112 PolarHBondContact O-N 2.65Å; W110-I131 HydrophobicContact CB-CD1 3.81Å; W110-I131 HydrophobicContact CB-CG1 4.26Å; W110-I131 HydrophobicContact CD2-CD1 4.05Å; W110-I131 HydrophobicContact CD2-CG1 3.47Å; W110-I131 VanDerWaalsContact CD2-CG1 3.47Å; W110-I131 HydrophobicContact CE3-CG1 4.02Å; W110-I131 HydrophobicContact CG-CD1 3.63Å; W110-I131 HydrophobicContact CG-CG1 3.58Å; W110-I131 HydrophobicContact CZ2-CG1 4.18Å; W110-A134 HydrophobicContact CH2-CB 3.69Å; W110-A134 HydrophobicContact CZ2-CB 4.14Å; W110-W138 AromaticContact CH2-CH2 3.96Å; W110-W138 HydrophobicContact CH2-CH2 3.96Å; W110-W138 HydrophobicContact CH2-CZ2 4.01Å; W110-W138 AromaticContact CZ3-CH2 3.71Å; W110-W138 HydrophobicContact CZ3-CH2 3.71Å; W110-W138 HydrophobicContact CZ3-CZ2 4.19Å
111N91.8Very high90.4Very high125 Ų12563.9 Ų63.967%0.66834%0.339SS*.THydrogen-bonded Turntrans6024.1179.3-63.7-60000115.3A108 R113A108-N111 PolarHBondContact O-N 3.36Å; N111-R113 PolarHBondContact O-N 2.84Å
112I91.5Very high90.1Very high3 Ų364.9 Ų64.92%0.01533%0.333CS..  trans-81.5113.8176.5-55.9178.7000109.4L107 W110 V116 F117 L123 Y126 I131L107-I112 HydrophobicContact CB-CB 3.9Å; L107-I112 HydrophobicContact CB-CD1 4.07Å; L107-I112 HydrophobicContact CB-CG1 4.37Å; L107-I112 HydrophobicContact CB-CG2 4.47Å; L107-I112 HydrophobicContact CD1-CD1 3.92Å; L107-I112 HydrophobicContact CD1-CG2 4.34Å; L107-I112 HydrophobicContact CG-CD1 4.48Å; W110-I112 HydrophobicContact CB-CD1 4.43Å; W110-I112 HydrophobicContact CB-CG1 4.31Å; W110-I112 PolarHBondContact O-N 2.65Å; I112-V116 HydrophobicContact CG2-CB 4.28Å; I112-V116 HydrophobicContact CG2-CG1 4.49Å; I112-F117 HydrophobicContact CG2-CE2 3.84Å; I112-F117 HydrophobicContact CG2-CZ 4.44Å; I112-L123 HydrophobicContact CG2-CD1 4.18Å; I112-Y126 HydrophobicContact CD1-CG 4.36Å; I112-Y126 HydrophobicContact CG1-CD1 4.1Å; I112-Y126 HydrophobicContact CG1-CG 4.17Å; I112-I131 HydrophobicContact CD1-CD1 3.83Å
113R88.7Confident89.8Confident182 Ų18263.1 Ų63.169%0.68732%0.321SS*.  trans-96.7156.9-178.3-63-175.6-177.5-123.5-0.5111.2N111 A115 V116N111-R113 PolarHBondContact O-N 2.84Å; R113-A115 PolarHBondContact O-N 2.92Å; R113-V116 WeakPolarHBondContact O-CB 3.33Å; R113-V116 WeakPolarHBondContact O-CG2 3.2Å; R113-V116 PolarHBondContact O-N 3.46Å
114P86.7Confident89.4Confident61 Ų6164.3 Ų64.340%0.39633%0.328SS..G310 helixtrans-53.5-30.1177.8-26.332.8000114.6T101 A104 V116 F117T101-P114 HydrophobicContact CG2-CB 4.35Å; T101-P114 HydrophobicContact CG2-CG 4.32Å; A104-P114 HydrophobicContact CB-CB 4.24Å; A104-P114 HydrophobicContact CB-CG 3.65Å; P114-V116 VanDerWaalsContact C-N 3.26Å; P114-V116 PolarHBondContact O-N 3.18Å; P114-F117 WeakPolarHBondContact O-CB 3.48Å; P114-F117 PolarHBondContact O-N 3.25Å
115A88.6Confident89.1Confident57 Ų5770.4 Ų70.447%0.47136%0.361SS..G310 helixtrans-61.3-32.9177.500000113R113 F117 R118R113-A115 PolarHBondContact O-N 2.92Å; A115-F117 PolarHBondContact O-N 2.84Å; A115-R118 WeakPolarHBondContact O-CB 3.29Å; A115-R118 PolarHBondContact O-N 3.4Å
116V89.6Confident88.9Confident9 Ų972.3 Ų72.36%0.05536%0.361CS..G310 helixtrans-63.8-31179.7-175.30000111I112 R113 P114 R118 E119 R122 L123 Y126I112-V116 HydrophobicContact CG2-CB 4.28Å; I112-V116 HydrophobicContact CG2-CG1 4.49Å; R113-V116 WeakPolarHBondContact O-CB 3.33Å; R113-V116 WeakPolarHBondContact O-CG2 3.2Å; R113-V116 PolarHBondContact O-N 3.46Å; P114-V116 VanDerWaalsContact C-N 3.26Å; P114-V116 PolarHBondContact O-N 3.18Å; V116-R118 PolarHBondContact O-N 3.37Å; V116-R118 VanDerWaalsContact O-N 3.14Å; V116-E119 CarbonylContact O-C 3.55Å; V116-E119 PolarHBondContact O-N 2.68Å; V116-R122 HydrophobicContact CG1-CG 4.47Å; V116-L123 HydrophobicContact CG1-CB 4.02Å; V116-L123 HydrophobicContact CG1-CD1 3.86Å; V116-Y126 HydrophobicContact CG1-CD2 3.62Å; V116-Y126 HydrophobicContact CG1-CE2 3.71Å; V116-Y126 HydrophobicContact CG2-CE2 4.18Å
117F86.7Confident88.6Confident34 Ų3473 Ų7315%0.14936%0.364CS..G310 helixtrans-66.7-12176.2-71.2-94.6000114.1M89 M93 A100 M103 A104 L107 I112 P114 A115 E119 L123M89-F117 HydrophobicContact CE-CE1 4.32Å; M89-F117 HydrophobicContact SD-CE1 4.05Å; M93-F117 HydrophobicContact SD-CD1 4.46Å; M93-F117 HydrophobicContact SD-CE1 4.16Å; A100-F117 HydrophobicContact CB-CB 4.16Å; A100-F117 HydrophobicContact CB-CG 4.25Å; M103-F117 HydrophobicContact CB-CE1 4.14Å; M103-F117 HydrophobicContact CB-CZ 3.94Å; M103-F117 HydrophobicContact CG-CE1 3.69Å; M103-F117 HydrophobicContact CG-CZ 3.48Å; M103-F117 VanDerWaalsContact CG-CZ 3.48Å; A104-F117 HydrophobicContact CB-CD2 4.28Å; A104-F117 HydrophobicContact CB-CE2 3.79Å; L107-F117 HydrophobicContact CD1-CZ 3.96Å; I112-F117 HydrophobicContact CG2-CE2 3.84Å; I112-F117 HydrophobicContact CG2-CZ 4.44Å; P114-F117 WeakPolarHBondContact O-CB 3.48Å; P114-F117 PolarHBondContact O-N 3.25Å; A115-F117 PolarHBondContact O-N 2.84Å; F117-E119 VanDerWaalsContact C-N 3.34Å; F117-L123 HydrophobicContact CD1-CD2 3.69Å; F117-L123 HydrophobicContact CE1-CD1 4.44Å; F117-L123 HydrophobicContact CE1-CD2 3.95Å; F117-L123 HydrophobicContact CG-CD2 4.22Å; F117-L123 HydrophobicContact CZ-CD1 4.39Å
118R84.3Confident88.5Confident215 Ų21576 Ų7681%0.81138%0.383SS*.G310 helixtrans-86.3-9.6172.9-58.7-177.2-177.1168.4-0.2112.8A115 V116A115-R118 WeakPolarHBondContact O-CB 3.29Å; A115-R118 PolarHBondContact O-N 3.4Å; V116-R118 PolarHBondContact O-N 3.37Å; V116-R118 VanDerWaalsContact O-N 3.14Å
119E87.1Confident88.4Confident91 Ų9176.3 Ų76.343%0.42539%0.39SS..  trans-123.382.7-177.2-68.3169.5-144.900108.3V116 F117 D121 R122 L123V116-E119 CarbonylContact O-C 3.55Å; V116-E119 PolarHBondContact O-N 2.68Å; F117-E119 VanDerWaalsContact C-N 3.34Å; E119-D121 VanDerWaalsContact C-N 3.31Å; E119-D121 PolarHBondContact O-N 2.91Å; E119-R122 HydrophobicContact CB-CB 3.77Å; E119-R122 WeakPolarHBondContact O-CB 3.3Å; E119-R122 PolarHBondContact O-N 3.09Å; E119-R122 IonicContact OE1-NH1 3.88Å; E119-R122 WeakPolarHBondContact OE2-CD 3.49Å; E119-R122 IonicContact OE2-CZ 3.44Å; E119-R122 IonicContact OE2-NE 2.75Å; E119-R122 IonicContact OE2-NH1 3.69Å; E119-R122 PolarHBondContact OE2-NH1 2.95Å; E119-L123 PolarHBondContact O-N 3.45Å
120P81.7Confident88.4Confident59 Ų5979.6 Ų79.638%0.38340%0.399SS..Hα-helixtrans-56.4-41.8-172.3-2533.5000113.6L86 R122 L123 T124L86-P120 HydrophobicContact CD1-CB 3.75Å; L86-P120 HydrophobicContact CD2-CB 4.48Å; P120-R122 VanDerWaalsContact C-N 3.28Å; P120-R122 PolarHBondContact O-N 3.17Å; P120-L123 WeakPolarHBondContact O-CB 3.39Å; P120-L123 PolarHBondContact O-N 2.99Å; P120-L123 VanDerWaalsContact O-N 3.16Å; P120-T124 PolarHBondContact O-N 3.38Å; P120-T124 VanDerWaalsContact O-N 3.13Å
121D82.6Confident88.4Confident132 Ų13276.3 Ų76.371%0.70639%0.387SS*.Hα-helixtrans-63.4-36178.4-57.9-31.6000111.9E119 T124E119-D121 VanDerWaalsContact C-N 3.31Å; E119-D121 PolarHBondContact O-N 2.91Å; D121-T124 PolarHBondContact O-OG1 3.45Å
122R87.5Confident88.5Confident113 Ų11371.1 Ų71.143%0.42636%0.36SS..Hα-helixtrans-73.9-36.3176.3-173.3179178.7174.64.8111.4V116 E119 P120 T124 D125 Y126V116-R122 HydrophobicContact CG1-CG 4.47Å; E119-R122 HydrophobicContact CB-CB 3.77Å; E119-R122 WeakPolarHBondContact O-CB 3.3Å; E119-R122 PolarHBondContact O-N 3.09Å; E119-R122 IonicContact OE1-NH1 3.88Å; E119-R122 WeakPolarHBondContact OE2-CD 3.49Å; E119-R122 IonicContact OE2-CZ 3.44Å; E119-R122 IonicContact OE2-NE 2.75Å; E119-R122 IonicContact OE2-NH1 3.69Å; E119-R122 PolarHBondContact OE2-NH1 2.95Å; P120-R122 VanDerWaalsContact C-N 3.28Å; P120-R122 PolarHBondContact O-N 3.17Å; R122-T124 PolarHBondContact O-N 2.92Å; R122-D125 WeakPolarHBondContact O-CB 3.49Å; R122-D125 PolarHBondContact O-N 2.82Å; R122-Y126 HydrophobicContact CG-CE2 3.95Å; R122-Y126 WeakPolarHBondContact O-CD2 3.42Å
123L88.1Confident88.5Confident6 Ų673.3 Ų73.33%0.03138%0.378CS..Hα-helixtrans-60.9-36.3177.3-176.555.9000111.4L86 M89 I112 V116 F117 E119 P120 D125 Y126 L127L86-L123 HydrophobicContact CD2-CB 4.24Å; L86-L123 HydrophobicContact CD2-CD2 4.08Å; L86-L123 HydrophobicContact CD2-CG 4.2Å; M89-L123 HydrophobicContact CE-CD1 4.34Å; M89-L123 HydrophobicContact CE-CD2 3.15Å; M89-L123 HydrophobicContact CE-CG 3.7Å; M89-L123 HydrophobicContact SD-CD2 4.37Å; I112-L123 HydrophobicContact CG2-CD1 4.18Å; V116-L123 HydrophobicContact CG1-CB 4.02Å; V116-L123 HydrophobicContact CG1-CD1 3.86Å; F117-L123 HydrophobicContact CD1-CD2 3.69Å; F117-L123 HydrophobicContact CE1-CD1 4.44Å; F117-L123 HydrophobicContact CE1-CD2 3.95Å; F117-L123 HydrophobicContact CG-CD2 4.22Å; F117-L123 HydrophobicContact CZ-CD1 4.39Å; E119-L123 PolarHBondContact O-N 3.45Å; P120-L123 WeakPolarHBondContact O-CB 3.39Å; P120-L123 PolarHBondContact O-N 2.99Å; P120-L123 VanDerWaalsContact O-N 3.16Å; L123-D125 VanDerWaalsContact C-N 3.27Å; L123-D125 PolarHBondContact O-N 3.06Å; L123-Y126 PolarHBondContact O-N 3.14Å; L123-L127 WeakPolarHBondContact O-CG 3.21Å; L123-L127 PolarHBondContact O-N 3.3Å
124T86.4Confident88.8Confident25 Ų2565.4 Ų65.415%0.15335%0.352CS..Hα-helixtrans-61.4-33.817744.50000113.7V82 L86 P120 D121 R122 Y126 L127V82-T124 HydrophobicContact CG1-CG2 3.55Å; L86-T124 HydrophobicContact CD1-CG2 3.55Å; L86-T124 HydrophobicContact CD2-CG2 3.64Å; L86-T124 HydrophobicContact CG-CG2 3.35Å; P120-T124 PolarHBondContact O-N 3.38Å; P120-T124 VanDerWaalsContact O-N 3.13Å; D121-T124 PolarHBondContact O-OG1 3.45Å; R122-T124 PolarHBondContact O-N 2.92Å; T124-Y126 PolarHBondContact O-N 3.38Å; T124-L127 PolarHBondContact O-N 3.41Å
125D87.2Confident89.2Confident134 Ų13462.6 Ų62.672%0.71733%0.333SS*.Hα-helixtrans-65.2-25.8176.7-65.5-25.8000112.5R122 L123R122-D125 WeakPolarHBondContact O-CB 3.49Å; R122-D125 PolarHBondContact O-N 2.82Å; L123-D125 VanDerWaalsContact C-N 3.27Å; L123-D125 PolarHBondContact O-N 3.06Å
126Y90.3Very high89.4Confident76 Ų7660 Ų6030%0.29831%0.312SS..Hα-helixtrans-85-20.9177.1-70.9-79.3000113.4I112 V116 R122 L123 T124 T128 I131I112-Y126 HydrophobicContact CD1-CG 4.36Å; I112-Y126 HydrophobicContact CG1-CD1 4.1Å; I112-Y126 HydrophobicContact CG1-CG 4.17Å; V116-Y126 HydrophobicContact CG1-CD2 3.62Å; V116-Y126 HydrophobicContact CG1-CE2 3.71Å; V116-Y126 HydrophobicContact CG2-CE2 4.18Å; R122-Y126 HydrophobicContact CG-CE2 3.95Å; R122-Y126 WeakPolarHBondContact O-CD2 3.42Å; L123-Y126 PolarHBondContact O-N 3.14Å; T124-Y126 PolarHBondContact O-N 3.38Å; Y126-T128 PolarHBondContact O-N 2.88Å; Y126-I131 WeakPolarHBondContact O-CD1 3.34Å
127L89.3Confident89.6Confident14 Ų1463.7 Ų63.77%0.07333%0.331CS..  trans-7866.7-173.2-67.6178.9000112.4L85 M89 L123 T124 I131 L132L85-L127 HydrophobicContact CB-CD1 4.34Å; M89-L127 HydrophobicContact CE-CD1 3.92Å; M89-L127 HydrophobicContact CE-CD2 4.46Å; M89-L127 HydrophobicContact SD-CD1 4.35Å; M89-L127 HydrophobicContact SD-CD2 3.98Å; L123-L127 WeakPolarHBondContact O-CG 3.21Å; L123-L127 PolarHBondContact O-N 3.3Å; T124-L127 PolarHBondContact O-N 3.41Å; L127-I131 HydrophobicContact CD2-CG2 4.05Å; L127-L132 HydrophobicContact CB-CD2 4.28Å
128T90.9Very high90Very high64 Ų6463.3 Ų63.339%0.39333%0.329SS..  trans-68.4161.917870.70000112.2Y126 E130 I131 L132Y126-T128 PolarHBondContact O-N 2.88Å; T128-E130 PolarHBondContact O-N 2.93Å; T128-E130 VanDerWaalsContact O-N 3.13Å; T128-I131 PolarHBondContact O-N 3.19Å; T128-L132 WeakPolarHBondContact O-CG 3.28Å; T128-L132 PolarHBondContact O-N 2.99Å
129G90.8Very high90.5Very high58 Ų5853.2 Ų53.260%0.59829%0.291SS*.Hα-helixtrans-55.3-31.1176.100000114A133G129-A133 VanDerWaalsContact O-CB 3.31Å; G129-A133 WeakPolarHBondContact O-CB 3.37Å; G129-A133 PolarHBondContact O-N 3.39Å
130E93.6Very high90.8Very high142 Ų14250.9 Ų50.966%0.66428%0.278SS*.Hα-helixtrans-67.5-45.1175.6-65-178.4175.500112.2T128 A133 A134T128-E130 PolarHBondContact O-N 2.93Å; T128-E130 VanDerWaalsContact O-N 3.13Å; E130-A133 PolarHBondContact O-N 3.22Å; E130-A134 WeakPolarHBondContact O-CB 3.38Å; E130-A134 PolarHBondContact O-N 2.75Å
131I93.7Very high91.4Very high3 Ų348.3 Ų48.32%0.01526%0.261CS..Hα-helixtrans-65.4-42.7177.1-73.3158.2000110.5L107 W110 I112 Y126 L127 T128 A133 A134 L135L107-I131 HydrophobicContact CD2-CG2 3.74Å; W110-I131 HydrophobicContact CB-CD1 3.81Å; W110-I131 HydrophobicContact CB-CG1 4.26Å; W110-I131 HydrophobicContact CD2-CD1 4.05Å; W110-I131 HydrophobicContact CD2-CG1 3.47Å; W110-I131 VanDerWaalsContact CD2-CG1 3.47Å; W110-I131 HydrophobicContact CE3-CG1 4.02Å; W110-I131 HydrophobicContact CG-CD1 3.63Å; W110-I131 HydrophobicContact CG-CG1 3.58Å; W110-I131 HydrophobicContact CZ2-CG1 4.18Å; I112-I131 HydrophobicContact CD1-CD1 3.83Å; Y126-I131 WeakPolarHBondContact O-CD1 3.34Å; L127-I131 HydrophobicContact CD2-CG2 4.05Å; T128-I131 PolarHBondContact O-N 3.19Å; I131-A133 VanDerWaalsContact C-N 3.32Å; I131-A133 PolarHBondContact O-N 3.07Å; I131-A134 PolarHBondContact O-N 3.35Å; I131-L135 HydrophobicContact CG2-CD1 3.97Å; I131-L135 HydrophobicContact CG2-CG 4.39Å; I131-L135 WeakPolarHBondContact O-CB 3.41Å; I131-L135 WeakPolarHBondContact O-CG 3.28Å; I131-L135 PolarHBondContact O-N 3.25Å
132L92.9Very high91.8Very high16 Ų1642.2 Ų42.28%0.08423%0.229CC..Hα-helixtrans-63.3-39.8177-60.9177.8000111.4L85 L127 T128 A136 L146 N147L85-L132 HydrophobicContact CD2-CD1 3.53Å; L85-L132 HydrophobicContact CD2-CD2 3.73Å; L85-L132 HydrophobicContact CD2-CG 4.28Å; L127-L132 HydrophobicContact CB-CD2 4.28Å; T128-L132 WeakPolarHBondContact O-CG 3.28Å; T128-L132 PolarHBondContact O-N 2.99Å; L132-A136 WeakPolarHBondContact O-CB 3.4Å; L132-A136 PolarHBondContact O-N 3.43Å; L132-L146 HydrophobicContact CB-CB 4.25Å; L132-L146 HydrophobicContact CD2-CB 4.21Å; L132-L146 WeakPolarHBondContact O-CD1 3.27Å; L132-N147 HydrophobicContact CD1-CB 4.04Å
133A92.9Very high91.9Very high48 Ų4838.5 Ų38.540%0.39722%0.22SC..Hα-helixtrans-64.8-41174.800000112G129 E130 I131 A136 D137G129-A133 VanDerWaalsContact O-CB 3.31Å; G129-A133 WeakPolarHBondContact O-CB 3.37Å; G129-A133 PolarHBondContact O-N 3.39Å; E130-A133 PolarHBondContact O-N 3.22Å; I131-A133 VanDerWaalsContact C-N 3.32Å; I131-A133 PolarHBondContact O-N 3.07Å; A133-A136 PolarHBondContact O-N 3.1Å; A133-D137 PolarHBondContact O-N 3.06Å
134A94.5Very high91.9Very high17 Ų1741.6 Ų41.614%0.1423%0.234CC..Hα-helixtrans-63.1-49.1176.100000111.5W110 E130 I131 A136 D137 W138W110-A134 HydrophobicContact CH2-CB 3.69Å; W110-A134 HydrophobicContact CZ2-CB 4.14Å; E130-A134 WeakPolarHBondContact O-CB 3.38Å; E130-A134 PolarHBondContact O-N 2.75Å; I131-A134 PolarHBondContact O-N 3.35Å; A134-A136 VanDerWaalsContact C-N 3.31Å; A134-A136 PolarHBondContact O-N 3.23Å; A134-D137 PolarHBondContact O-N 2.92Å; A134-W138 HydrophobicContact CB-CD2 4.48Å; A134-W138 HydrophobicContact CB-CH2 4.2Å; A134-W138 HydrophobicContact CB-CZ2 3.78Å; A134-W138 WeakPolarHBondContact O-CB 3.19Å; A134-W138 VanDerWaalsContact O-CD2 3.25Å; A134-W138 PolarHBondContact O-N 3.05Å
135L94.5Very high92.1Very high2 Ų241 Ų411%0.0123%0.229CC..Hα-helixtrans-57.9-43.8175-72.3170.5000111.6M103 L107 I131 D137 W138 F139 L146M103-L135 HydrophobicContact CE-CD2 4.35Å; M103-L135 HydrophobicContact SD-CD2 3.88Å; L107-L135 HydrophobicContact CD2-CD2 4.32Å; L107-L135 HydrophobicContact CD2-CG 4.48Å; I131-L135 HydrophobicContact CG2-CD1 3.97Å; I131-L135 HydrophobicContact CG2-CG 4.39Å; I131-L135 WeakPolarHBondContact O-CB 3.41Å; I131-L135 WeakPolarHBondContact O-CG 3.28Å; I131-L135 PolarHBondContact O-N 3.25Å; L135-D137 VanDerWaalsContact C-N 3.34Å; L135-D137 PolarHBondContact O-N 3.42Å; L135-W138 HydrophobicContact CD2-CE3 3.98Å; L135-W138 HydrophobicContact CD2-CZ3 4.04Å; L135-W138 PolarHBondContact O-N 2.95Å; L135-F139 HydrophobicContact CD2-CD2 4.46Å; L135-F139 HydrophobicContact CD2-CE2 4.1Å; L135-F139 VanDerWaalsContact O-CD2 3.3Å; L135-F139 WeakPolarHBondContact O-CD2 3.32Å; L135-F139 PolarHBondContact O-N 2.85Å; L135-F139 VanDerWaalsContact O-N 3.1Å; L135-L146 HydrophobicContact CB-CD1 3.62Å
136A94Very high92.3Very high2 Ų234.7 Ų34.72%0.01720%0.195CC..Hα-helixtrans-59-45.4176.700000112L132 A133 A134 Y140 L141 P143 L146L132-A136 WeakPolarHBondContact O-CB 3.4Å; L132-A136 PolarHBondContact O-N 3.43Å; A133-A136 PolarHBondContact O-N 3.1Å; A134-A136 VanDerWaalsContact C-N 3.31Å; A134-A136 PolarHBondContact O-N 3.23Å; A136-Y140 CarbonylContact O-C 3.56Å; A136-Y140 WeakPolarHBondContact O-CA 3.39Å; A136-Y140 PolarHBondContact O-N 3.45Å; A136-L141 PolarHBondContact O-N 3.1Å; A136-P143 HydrophobicContact CB-CB 4.19Å; A136-P143 HydrophobicContact CB-CG 3.71Å; A136-L146 HydrophobicContact CB-CD1 3.92Å
137D93.7Very high92.1Very high86 Ų8632.9 Ų32.946%0.4619%0.19SC..Hα-helixtrans-64.9-45.1179-177.174.5000112.4A133 A134 L135 F139 Y140A133-D137 PolarHBondContact O-N 3.06Å; A134-D137 PolarHBondContact O-N 2.92Å; L135-D137 VanDerWaalsContact C-N 3.34Å; L135-D137 PolarHBondContact O-N 3.42Å; D137-F139 VanDerWaalsContact C-N 3.31Å; D137-F139 PolarHBondContact O-N 2.89Å; D137-Y140 PolarHBondContact O-N 2.95Å
138W95Very high91.8Very high27 Ų2732.4 Ų32.410%0.10219%0.189CC..Hα-helixtrans-63.4-38.9-177.5-59.7-13.3000112.3L106 L107 W110 A134 L135 I206 I211 P213L106-W138 HydrophobicContact CB-CH2 4.44Å; L106-W138 HydrophobicContact CB-CZ3 3.85Å; L106-W138 WeakPolarHBondContact O-CH2 3.28Å; L107-W138 HydrophobicContact CD2-CZ3 4.22Å; W110-W138 AromaticContact CH2-CH2 3.96Å; W110-W138 HydrophobicContact CH2-CH2 3.96Å; W110-W138 HydrophobicContact CH2-CZ2 4.01Å; W110-W138 AromaticContact CZ3-CH2 3.71Å; W110-W138 HydrophobicContact CZ3-CH2 3.71Å; W110-W138 HydrophobicContact CZ3-CZ2 4.19Å; A134-W138 HydrophobicContact CB-CD2 4.48Å; A134-W138 HydrophobicContact CB-CH2 4.2Å; A134-W138 HydrophobicContact CB-CZ2 3.78Å; A134-W138 WeakPolarHBondContact O-CB 3.19Å; A134-W138 VanDerWaalsContact O-CD2 3.25Å; A134-W138 PolarHBondContact O-N 3.05Å; L135-W138 HydrophobicContact CD2-CE3 3.98Å; L135-W138 HydrophobicContact CD2-CZ3 4.04Å; L135-W138 PolarHBondContact O-N 2.95Å; W138-I206 HydrophobicContact CB-CD1 3.66Å; W138-I206 VanDerWaalsContact CD1-CD1 3.48Å; W138-I206 HydrophobicContact CD2-CD1 3.81Å; W138-I206 HydrophobicContact CD2-CG2 4.02Å; W138-I206 HydrophobicContact CE3-CG2 4.5Å; W138-I206 HydrophobicContact CG-CD1 3.34Å; W138-I206 HydrophobicContact CH2-CG2 4.1Å; W138-I206 HydrophobicContact CZ2-CG2 3.6Å; W138-I211 HydrophobicContact CB-CD1 4.12Å; W138-P213 WeakPolarHBondContact O-CB 3.34Å; W138-P213 VanDerWaalsContact O-CG 3.31Å; W138-P213 WeakPolarHBondContact O-CG 3.49Å
139F94.5Very high91.4Very high3 Ų338.4 Ų38.41%0.01320%0.204CC..Hα-helixtrans-101.14.4-176.5-66.7-76.6000114.9I92 H96 I98 L106 L135 D137 L141 I211 P213I92-F139 HydrophobicContact CG2-CD1 4.06Å; I92-F139 HydrophobicContact CG2-CD2 3.92Å; I92-F139 HydrophobicContact CG2-CE1 4.09Å; I92-F139 HydrophobicContact CG2-CE2 3.95Å; I92-F139 HydrophobicContact CG2-CG 4Å; I92-F139 HydrophobicContact CG2-CZ 4.05Å; H96-F139 HydrophobicContact CB-CE1 4.19Å; H96-F139 AromaticContact CD2-CD1 3.7Å; H96-F139 AromaticContact CE1-CD1 3.84Å; H96-F139 AromaticContact CG-CD1 3.89Å; H96-F139 AromaticContact CG-CE1 3.86Å; H96-F139 AromaticContact ND1-CD1 3.98Å; H96-F139 AromaticContact NE2-CD1 3.68Å; I98-F139 HydrophobicContact CD1-CE1 3.45Å; I98-F139 VanDerWaalsContact CD1-CE1 3.45Å; I98-F139 HydrophobicContact CD1-CZ 3.3Å; L106-F139 HydrophobicContact CD1-CZ 4.34Å; L135-F139 HydrophobicContact CD2-CD2 4.46Å; L135-F139 HydrophobicContact CD2-CE2 4.1Å; L135-F139 VanDerWaalsContact O-CD2 3.3Å; L135-F139 WeakPolarHBondContact O-CD2 3.32Å; L135-F139 PolarHBondContact O-N 2.85Å; L135-F139 VanDerWaalsContact O-N 3.1Å; D137-F139 VanDerWaalsContact C-N 3.31Å; D137-F139 PolarHBondContact O-N 2.89Å; F139-L141 HydrophobicContact CB-CD1 3.65Å; F139-L141 HydrophobicContact CB-CG 3.75Å; F139-I211 HydrophobicContact CE1-CD1 4.04Å; F139-I211 HydrophobicContact CE2-CD1 4.44Å; F139-I211 HydrophobicContact CZ-CD1 3.9Å; F139-P213 HydrophobicContact CD1-CB 4.18Å
140Y93.7Very high91.2Very high42 Ų4238.4 Ų38.417%0.16519%0.193CC..THydrogen-bonded Turntrans6043.5-178.1-53.4-65.6000114.2A136 D137 Q202 K204 P213 L215A136-Y140 CarbonylContact O-C 3.56Å; A136-Y140 WeakPolarHBondContact O-CA 3.39Å; A136-Y140 PolarHBondContact O-N 3.45Å; D137-Y140 PolarHBondContact O-N 2.95Å; Y140-Q202 PolarHBondContact OH-OE1 2.69Å; Y140-K204 VanDerWaalsContact CZ-CE 3.49Å; Y140-K204 WeakPolarHBondContact OH-CE 3.32Å; Y140-K204 PolarHBondContact OH-NZ 3.4Å; Y140-P213 HydrophobicContact CD2-CB 4.07Å; Y140-P213 HydrophobicContact CE2-CB 4.1Å; Y140-P213 HydrophobicContact CE2-CG 4.14Å; Y140-L215 HydrophobicContact CD1-CD1 3.88Å; Y140-L215 HydrophobicContact CD2-CB 3.82Å; Y140-L215 HydrophobicContact CD2-CD1 4.33Å; Y140-L215 HydrophobicContact CE1-CD1 4.04Å; Y140-L215 HydrophobicContact CE2-CB 3.57Å; Y140-L215 HydrophobicContact CE2-CD1 4.46Å; Y140-L215 HydrophobicContact CG-CB 4.36Å; Y140-L215 HydrophobicContact CG-CD1 4Å
141L93.3Very high90.7Very high4 Ų437.1 Ų37.12%0.02119%0.187CC..  trans-109.8168.7-175.8-52.1175.5000111.9I92 A136 F139 P143 W145 P153 L261I92-L141 HydrophobicContact CD1-CD1 3.52Å; I92-L141 HydrophobicContact CG1-CD1 3.71Å; A136-L141 PolarHBondContact O-N 3.1Å; F139-L141 HydrophobicContact CB-CD1 3.65Å; F139-L141 HydrophobicContact CB-CG 3.75Å; L141-P143 WeakPolarHBondContact O-CD 3.4Å; L141-W145 HydrophobicContact CD1-CE3 4.34Å; L141-W145 HydrophobicContact CD1-CZ3 3.88Å; L141-P153 CarbonylContact C-O 3.53Å; L141-P153 WeakPolarHBondContact CA-O 3.4Å; L141-P153 HydrophobicContact CD2-CB 4.28Å; L141-L261 HydrophobicContact CD1-CD2 4.49Å; L141-L261 HydrophobicContact CD2-CD2 3.39Å
142S90.3Very high90.4Very high4 Ų442.7 Ų42.73%0.02821%0.208CC..  trans-76.3122.5169.3-176.50000110.4E144 W145 L146 P153 Y155S142-E144 PolarHBondContact O-N 3.44Å; S142-E144 PolarHBondContact OG-N 3.43Å; S142-W145 WeakPolarHBondContact O-CA 3.35Å; S142-W145 WeakPolarHBondContact O-CB 3.29Å; S142-W145 PolarHBondContact O-N 2.92Å; S142-W145 PolarHBondContact OG-N 3.49Å; S142-L146 PolarHBondContact O-N 3.31Å; S142-P153 WeakPolarHBondContact CB-O 3.18Å; S142-P153 PolarHBondContact N-O 2.84Å; S142-Y155 WeakPolarHBondContact OG-CB 3.21Å
143P89.8Confident90.1Very high36 Ų3642.2 Ų42.223%0.23421%0.206CC..Hα-helixtrans-57.9-33.6169-21.932.2000112.1A136 L141 W145 L146 N147A136-P143 HydrophobicContact CB-CB 4.19Å; A136-P143 HydrophobicContact CB-CG 3.71Å; L141-P143 WeakPolarHBondContact O-CD 3.4Å; P143-W145 VanDerWaalsContact C-N 3.25Å; P143-W145 PolarHBondContact O-N 3.38Å; P143-L146 PolarHBondContact O-N 2.9Å; P143-N147 PolarHBondContact O-N 3.06Å
144E88.8Confident89.6Confident70 Ų7041.5 Ų41.533%0.32720%0.195SC..Hα-helixtrans-71.8-21.6176.6-54.5-54.813900112.7S142 N147 R149 V150S142-E144 PolarHBondContact O-N 3.44Å; S142-E144 PolarHBondContact OG-N 3.43Å; E144-N147 VanDerWaalsContact C-OD1 3.27Å; E144-N147 VanDerWaalsContact CA-OD1 3.25Å; E144-N147 WeakPolarHBondContact CA-OD1 3.27Å; E144-N147 PolarHBondContact O-OD1 3.32Å; E144-N147 PolarHBondContact OE2-ND2 3.44Å; E144-R149 HydrophobicContact CB-CB 4.43Å; E144-R149 PolarHBondContact O-N 3.38Å; E144-R149 VanDerWaalsContact OE2-CD 3.24Å; E144-R149 WeakPolarHBondContact OE2-CD 3.35Å; E144-R149 IonicContact OE2-CZ 3.76Å; E144-R149 IonicContact OE2-NE 3.9Å; E144-R149 IonicContact OE2-NH1 3.06Å; E144-R149 PolarHBondContact OE2-NH1 3.02Å; E144-V150 HydrophobicContact CB-CG1 3.96Å; E144-V150 HydrophobicContact CB-CG2 4.04Å; E144-V150 PolarHBondContact O-N 2.89Å
145W91.1Very high88.1Confident13 Ų1348.4 Ų48.45%0.04922%0.219CC..Hα-helixtrans-78.2-44.6168178.981.6000109.3R88 I92 L141 S142 P143 N147 G148 V150 H151 Y152 P153R88-W145 HydrophobicContact CB-CH2 3.76Å; R88-W145 HydrophobicContact CB-CZ2 4.04Å; R88-W145 HydrophobicContact CB-CZ3 4.02Å; R88-W145 WeakPolarHBondContact CD-O 3.47Å; R88-W145 HydrophobicContact CG-CD2 4.34Å; R88-W145 HydrophobicContact CG-CH2 3.9Å; R88-W145 HydrophobicContact CG-CZ2 3.62Å; R88-W145 HydrophobicContact CG-CZ3 4.37Å; R88-W145 VanDerWaalsContact CZ-O 3.27Å; R88-W145 PolarHBondContact NE-O 3.36Å; R88-W145 PolarHBondContact NH1-O 3.1Å; I92-W145 HydrophobicContact CD1-CZ3 3.96Å; I92-W145 HydrophobicContact CG1-CH2 4.23Å; I92-W145 HydrophobicContact CG1-CZ3 4.03Å; L141-W145 HydrophobicContact CD1-CE3 4.34Å; L141-W145 HydrophobicContact CD1-CZ3 3.88Å; S142-W145 WeakPolarHBondContact O-CA 3.35Å; S142-W145 WeakPolarHBondContact O-CB 3.29Å; S142-W145 PolarHBondContact O-N 2.92Å; S142-W145 PolarHBondContact OG-N 3.49Å; P143-W145 VanDerWaalsContact C-N 3.25Å; P143-W145 PolarHBondContact O-N 3.38Å; W145-N147 VanDerWaalsContact C-N 3.27Å; W145-N147 PolarHBondContact O-N 3.48Å; W145-G148 PolarHBondContact O-N 3.36Å; W145-V150 HydrophobicContact CB-CG2 3.86Å; W145-H151 PolarHBondContact NE1-O 3.45Å; W145-Y152 WeakPolarHBondContact CB-O 3.3Å; W145-P153 HydrophobicContact CD2-CB 3.77Å; W145-P153 HydrophobicContact CE3-CB 4.11Å; W145-P153 VanDerWaalsContact CG-CA 3.42Å; W145-P153 HydrophobicContact CG-CB 4.16Å; W145-P153 HydrophobicContact CH2-CB 4.41Å; W145-P153 HydrophobicContact CZ2-CB 4.08Å; W145-P153 HydrophobicContact CZ3-CB 4.42Å
146L90.3Very high86.6Confident2 Ų255.5 Ų55.51%0.0125%0.246CC..Hα-helixtrans-58.6-41.1177-82.7178.5000112.7L85 R88 I92 L132 L135 A136 S142 P143 G148L85-L146 WeakPolarHBondContact CD2-O 3.38Å; R88-L146 HydrophobicContact CB-CD2 4.35Å; I92-L146 HydrophobicContact CD1-CD2 3.54Å; I92-L146 HydrophobicContact CD1-CG 4.48Å; L132-L146 HydrophobicContact CB-CB 4.25Å; L132-L146 HydrophobicContact CD2-CB 4.21Å; L132-L146 WeakPolarHBondContact O-CD1 3.27Å; L135-L146 HydrophobicContact CB-CD1 3.62Å; A136-L146 HydrophobicContact CB-CD1 3.92Å; S142-L146 PolarHBondContact O-N 3.31Å; P143-L146 PolarHBondContact O-N 2.9Å; L146-G148 VanDerWaalsContact C-N 3.29Å; L146-G148 PolarHBondContact O-N 2.75Å
147N86.6Confident85.5Confident37 Ų3757.5 Ų57.520%0.19826%0.258CS..THydrogen-bonded Turntrans-78.82.5-177.976.414.7000116.1L132 P143 E144 W145 R149L132-N147 HydrophobicContact CD1-CB 4.04Å; P143-N147 PolarHBondContact O-N 3.06Å; E144-N147 VanDerWaalsContact C-OD1 3.27Å; E144-N147 VanDerWaalsContact CA-OD1 3.25Å; E144-N147 WeakPolarHBondContact CA-OD1 3.27Å; E144-N147 PolarHBondContact O-OD1 3.32Å; E144-N147 PolarHBondContact OE2-ND2 3.44Å; W145-N147 VanDerWaalsContact C-N 3.27Å; W145-N147 PolarHBondContact O-N 3.48Å; N147-R149 VanDerWaalsContact OD1-CB 3.27Å; N147-R149 WeakPolarHBondContact OD1-CB 3.37Å; N147-R149 VanDerWaalsContact OD1-CG 3.23Å; N147-R149 WeakPolarHBondContact OD1-CG 3.36Å; N147-R149 PolarHBondContact OD1-N 2.72Å
148G83.4Confident84.7Confident4 Ų454.3 Ų54.34%0.04125%0.246CC..THydrogen-bonded Turntrans93.3-11.2177.200000116.3R84 W145 L146R84-G148 PolarHBondContact NH1-O 2.9Å; W145-G148 PolarHBondContact O-N 3.36Å; L146-G148 VanDerWaalsContact C-N 3.29Å; L146-G148 PolarHBondContact O-N 2.75Å
149R83Confident84.2Confident190 Ų19059.7 Ų59.772%0.71728%0.276SS*.SBendtrans-78-33.6-169.6-69.9-168.8-163163-13.1115.2E144 N147E144-R149 HydrophobicContact CB-CB 4.43Å; E144-R149 PolarHBondContact O-N 3.38Å; E144-R149 VanDerWaalsContact OE2-CD 3.24Å; E144-R149 WeakPolarHBondContact OE2-CD 3.35Å; E144-R149 IonicContact OE2-CZ 3.76Å; E144-R149 IonicContact OE2-NE 3.9Å; E144-R149 IonicContact OE2-NH1 3.06Å; E144-R149 PolarHBondContact OE2-NH1 3.02Å; N147-R149 VanDerWaalsContact OD1-CB 3.27Å; N147-R149 WeakPolarHBondContact OD1-CB 3.37Å; N147-R149 VanDerWaalsContact OD1-CG 3.23Å; N147-R149 WeakPolarHBondContact OD1-CG 3.36Å; N147-R149 PolarHBondContact OD1-N 2.72Å
150V85.5Confident84Confident58 Ų5861.7 Ų61.735%0.35228%0.284SS..  trans-113.4159.2173.3-52.30000111.4R88 E144 W145R88-V150 VanDerWaalsContact CZ-O 3.29Å; R88-V150 PolarHBondContact NH1-O 3.42Å; R88-V150 PolarHBondContact NH2-O 3.44Å; E144-V150 HydrophobicContact CB-CG1 3.96Å; E144-V150 HydrophobicContact CB-CG2 4.04Å; E144-V150 PolarHBondContact O-N 2.89Å; W145-V150 HydrophobicContact CB-CG2 3.86Å
151H82.6Confident84Confident116 Ų11660 Ų6054%0.53728%0.278SS..SBendtrans-86.1-26.4-178.4-72.8-83.9000113.6W145W145-H151 PolarHBondContact NE1-O 3.45Å
152Y87.9Confident83.9Confident120 Ų12064 Ų6447%0.47131%0.312SS..  trans-107.2133.8-169.6-56.6-44.1000112.6W145 L154 G258 K259W145-Y152 WeakPolarHBondContact CB-O 3.3Å; Y152-L154 PolarHBondContact O-N 3.42Å; Y152-G258 WeakPolarHBondContact CB-O 3.37Å; Y152-K259 HydrophobicContact CD1-CB 4.15Å; Y152-K259 HydrophobicContact CD1-CG 3.69Å; Y152-K259 HydrophobicContact CE1-CB 4.32Å; Y152-K259 HydrophobicContact CE1-CD 4.34Å; Y152-K259 HydrophobicContact CE1-CG 3.52Å; Y152-K259 HydrophobicContact CG-CG 4.28Å
153P87.1Confident84.1Confident5 Ų566.3 Ų66.33%0.03233%0.325CS..SBendtrans-67.1-29.1-171.622-35000116.2L141 S142 W145 G258 L261L141-P153 CarbonylContact C-O 3.53Å; L141-P153 WeakPolarHBondContact CA-O 3.4Å; L141-P153 HydrophobicContact CD2-CB 4.28Å; S142-P153 WeakPolarHBondContact CB-O 3.18Å; S142-P153 PolarHBondContact N-O 2.84Å; W145-P153 HydrophobicContact CD2-CB 3.77Å; W145-P153 HydrophobicContact CE3-CB 4.11Å; W145-P153 VanDerWaalsContact CG-CA 3.42Å; W145-P153 HydrophobicContact CG-CB 4.16Å; W145-P153 HydrophobicContact CH2-CB 4.41Å; W145-P153 HydrophobicContact CZ2-CB 4.08Å; W145-P153 HydrophobicContact CZ3-CB 4.42Å; P153-G258 WeakPolarHBondContact CD-O 3.48Å; P153-G258 VanDerWaalsContact CG-O 3.32Å; P153-G258 WeakPolarHBondContact CG-O 3.31Å; P153-L261 HydrophobicContact CB-CD2 3.55Å; P153-L261 HydrophobicContact CB-CG 4.47Å; P153-L261 HydrophobicContact CG-CD2 3.95Å; P153-L261 HydrophobicContact CG-CG 4.41Å
154L82Confident84.3Confident34 Ų3467.8 Ų67.818%0.17833%0.329CS..  trans-94.8129.6-170.2-67.4173.3000112.4Y152 L255 P262Y152-L154 PolarHBondContact O-N 3.42Å; L154-L255 HydrophobicContact CD1-CD1 4.46Å; L154-P262 HydrophobicContact CD1-CG 3.76Å; L154-P262 HydrophobicContact CD2-CG 3.92Å; L154-P262 HydrophobicContact CG-CG 4.39Å
155Y62.9Low84.5Confident162 Ų16270 Ų7064%0.63534%0.34SS*.SBendtrans-134-19.3171.8180-106.8000113.4S142 P157S142-Y155 WeakPolarHBondContact OG-CB 3.21Å; Y155-P157 VanDerWaalsContact C-CD 3.41Å; Y155-P157 WeakPolarHBondContact O-CD 3.39Å
156R62.8Low84.6Confident151 Ų15172.8 Ų72.857%0.5736%0.355SS*.  trans-12566.1-179.7-66.6-170.7-179.6177.90.9112.4
157P71.2Confident84.8Confident43 Ų4372.7 Ų72.728%0.27935%0.354SS..PPolyproline II helixtrans-57.6141.3159.929.3-34.7000109.1Y155 S216 Y218Y155-P157 VanDerWaalsContact C-CD 3.41Å; Y155-P157 WeakPolarHBondContact O-CD 3.39Å; P157-S216 CarbonylContact C-O 3.53Å; P157-S216 WeakPolarHBondContact CA-O 3.4Å; P157-S216 WeakPolarHBondContact CB-O 3.45Å; P157-Y218 HydrophobicContact CB-CD2 4.15Å; P157-Y218 HydrophobicContact CG-CD2 3.44Å; P157-Y218 VanDerWaalsContact CG-CD2 3.44Å; P157-Y218 HydrophobicContact CG-CE2 4.24Å; P157-Y218 HydrophobicContact CG-CG 4.27Å
158G76Confident85.1Confident19 Ų1971.9 Ų71.920%0.19635%0.351CS..BIsolated β-bridgetrans-63.5145.2169.700000109.6S216 L217 Y218G158-S216 PolarHBondContact N-O 3.04Å; G158-L217 CarbonylContact O-C 3.56Å; G158-L217 VanDerWaalsContact O-CA 3.28Å; G158-L217 WeakPolarHBondContact O-CA 3.48Å; G158-Y218 PolarHBondContact O-N 2.98Å
159D85.3Confident85.5Confident140 Ų14080.9 Ų80.975%0.74938%0.384SS*.PPolyproline II helixtrans-61.4147.4179.5-66.6-46.7000111.5
160W90.8Very high86Confident46 Ų4674.1 Ų74.117%0.17436%0.362CS..PPolyproline II helixtrans-62131169-171.2-89.4000108.8A162 V198 A220 K226 W229 F230W160-A162 PolarHBondContact O-N 3.27Å; W160-V198 HydrophobicContact CH2-CG2 4.42Å; W160-V198 HydrophobicContact CZ3-CG2 4.3Å; W160-A220 HydrophobicContact CD2-CB 3.86Å; W160-A220 HydrophobicContact CE3-CB 3.9Å; W160-A220 HydrophobicContact CG-CB 4.23Å; W160-A220 HydrophobicContact CZ3-CB 4.34Å; W160-K226 HydrophobicContact CH2-CD 4.27Å; W160-K226 HydrophobicContact CH2-CG 4.47Å; W160-K226 HydrophobicContact CZ2-CB 4.05Å; W160-K226 HydrophobicContact CZ2-CD 3.6Å; W160-K226 HydrophobicContact CZ2-CG 3.54Å; W160-W229 HydrophobicContact CZ2-CE3 4.22Å; W160-W229 HydrophobicContact CZ2-CZ3 4.41Å; W160-W229 AromaticContact NE1-CE3 3.95Å; W160-W229 AromaticContact NE1-CZ3 3.29Å; W160-W229 VanDerWaalsContact NE1-CZ3 3.29Å; W160-F230 AromaticContact CH2-CE1 3.68Å; W160-F230 HydrophobicContact CH2-CE1 3.68Å; W160-F230 AromaticContact CH2-CZ 3.84Å; W160-F230 HydrophobicContact CH2-CZ 3.84Å; W160-F230 HydrophobicContact CZ2-CE1 4.37Å
161P92.9Very high86.4Confident7 Ų771.4 Ų71.45%0.04535%0.345CS..PPolyproline II helixtrans-61.5136.2-175.7-28.240.5000112T163 I166 F167 I170 L217 W229P161-T163 VanDerWaalsContact C-N 3.3Å; P161-T163 PolarHBondContact O-N 3.43Å; P161-I166 HydrophobicContact CB-CB 4.18Å; P161-I166 HydrophobicContact CB-CG2 3.96Å; P161-F167 HydrophobicContact CB-CB 3.88Å; P161-F167 HydrophobicContact CB-CD2 4.49Å; P161-F167 HydrophobicContact CG-CB 4.07Å; P161-F167 HydrophobicContact CG-CD2 3.91Å; P161-F167 HydrophobicContact CG-CG 4.49Å; P161-I170 HydrophobicContact CB-CD1 4.28Å; P161-I170 HydrophobicContact CG-CD1 3.6Å; P161-L217 HydrophobicContact CG-CD1 4.27Å; P161-W229 HydrophobicContact CB-CZ3 4.26Å; P161-W229 VanDerWaalsContact O-CH2 3.3Å; P161-W229 WeakPolarHBondContact O-CH2 3.39Å; P161-W229 WeakPolarHBondContact O-CZ3 3.04Å
162A92.4Very high86.9Confident87 Ų8768.4 Ų68.472%0.71934%0.337SS*.SBendtrans-71.3-25.1-178.800000113.4W160 I166W160-A162 PolarHBondContact O-N 3.27Å; A162-I166 HydrophobicContact CB-CD1 4.41Å
163T93.9Very high87.1Confident52 Ų5263.9 Ų63.932%0.31932%0.324SS..SBendtrans-139160.3179.284.30000111.6P161 E165 I166 F167P161-T163 VanDerWaalsContact C-N 3.3Å; P161-T163 PolarHBondContact O-N 3.43Å; T163-E165 VanDerWaalsContact C-N 3.29Å; T163-E165 VanDerWaalsContact CB-OE2 3.24Å; T163-E165 WeakPolarHBondContact CB-OE2 3.4Å; T163-E165 PolarHBondContact O-N 3.19Å; T163-E165 PolarHBondContact OG1-N 3.01Å; T163-E165 PolarHBondContact OG1-OE2 3.34Å; T163-I166 HydrophobicContact CG2-CD1 4.34Å; T163-I166 PolarHBondContact O-N 3.31Å; T163-I166 PolarHBondContact OG1-N 3.29Å; T163-F167 PolarHBondContact O-N 3Å
164Q93Very high87.4Confident67 Ų6775 Ų7531%0.31337%0.366SS..Hα-helixtrans-60-37.1175.9-167.6-174.3-7900112.3I166 F167 C168 W229 M232Q164-I166 PolarHBondContact O-N 2.74Å; Q164-F167 WeakPolarHBondContact O-CB 3.39Å; Q164-F167 PolarHBondContact O-N 3.32Å; Q164-C168 WeakPolarHBondContact O-CB 3.23Å; Q164-C168 PolarHBondContact O-N 3.13Å; Q164-C168 PolarHBondContact O-SG 2.93Å; Q164-W229 HydrophobicContact CB-CD2 4.41Å; Q164-W229 HydrophobicContact CB-CZ2 4.22Å; Q164-W229 HydrophobicContact CG-CD2 4.48Å; Q164-W229 HydrophobicContact CG-CG 4.12Å; Q164-M232 HydrophobicContact CG-CE 4.19Å; Q164-M232 HydrophobicContact CG-SD 4.02Å; Q164-M232 PolarHBondContact NE2-SD 3.22Å; Q164-M232 VanDerWaalsContact NE2-SD 3.43Å
165E92.9Very high88Confident117 Ų11778.3 Ų78.355%0.54738%0.38SS..Hα-helixtrans-64.7-40.9178.3-59.875.2-162.100111.4T163 C168 R169T163-E165 VanDerWaalsContact C-N 3.29Å; T163-E165 VanDerWaalsContact CB-OE2 3.24Å; T163-E165 WeakPolarHBondContact CB-OE2 3.4Å; T163-E165 PolarHBondContact O-N 3.19Å; T163-E165 PolarHBondContact OG1-N 3.01Å; T163-E165 PolarHBondContact OG1-OE2 3.34Å; E165-C168 PolarHBondContact O-N 3.38Å; E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 3.37Å
166I94.5Very high89.5Confident72 Ų7270.9 Ų70.937%0.36935%0.351SS..Hα-helixtrans-66-44.4176.1-61.2171.4000109.4P161 A162 T163 Q164 C168 R169 I170P161-I166 HydrophobicContact CB-CB 4.18Å; P161-I166 HydrophobicContact CB-CG2 3.96Å; A162-I166 HydrophobicContact CB-CD1 4.41Å; T163-I166 HydrophobicContact CG2-CD1 4.34Å; T163-I166 PolarHBondContact O-N 3.31Å; T163-I166 PolarHBondContact OG1-N 3.29Å; Q164-I166 PolarHBondContact O-N 2.74Å; I166-C168 PolarHBondContact O-N 3.16Å; I166-R169 PolarHBondContact O-N 3.02Å; I166-I170 HydrophobicContact CG2-CD1 3.87Å; I166-I170 WeakPolarHBondContact O-CG1 3.45Å; I166-I170 PolarHBondContact O-N 3.33Å
167F94.5Very high91Very high0 Ų067.8 Ų67.80%035%0.345CS..Hα-helixtrans-55.9-49.5174.6-178.2-95.8000111.4P161 T163 Q164 R169 I170 I171 L181 V198 W229 F230 A233P161-F167 HydrophobicContact CB-CB 3.88Å; P161-F167 HydrophobicContact CB-CD2 4.49Å; P161-F167 HydrophobicContact CG-CB 4.07Å; P161-F167 HydrophobicContact CG-CD2 3.91Å; P161-F167 HydrophobicContact CG-CG 4.49Å; T163-F167 PolarHBondContact O-N 3Å; Q164-F167 WeakPolarHBondContact O-CB 3.39Å; Q164-F167 PolarHBondContact O-N 3.32Å; F167-R169 VanDerWaalsContact C-N 3.34Å; F167-R169 PolarHBondContact O-N 3.27Å; F167-I170 PolarHBondContact O-N 3.36Å; F167-I170 VanDerWaalsContact O-N 3.14Å; F167-I171 HydrophobicContact CD1-CG1 4.05Å; F167-I171 HydrophobicContact CE1-CD1 4.33Å; F167-I171 HydrophobicContact CE1-CG1 3.73Å; F167-I171 HydrophobicContact CE2-CD1 4.36Å; F167-I171 HydrophobicContact CE2-CG1 4.37Å; F167-I171 HydrophobicContact CG-CG1 4.5Å; F167-I171 HydrophobicContact CZ-CD1 3.97Å; F167-I171 HydrophobicContact CZ-CG1 3.88Å; F167-I171 WeakPolarHBondContact O-CG1 3.31Å; F167-I171 PolarHBondContact O-N 3.46Å; F167-L181 HydrophobicContact CZ-CD2 4.46Å; F167-V198 HydrophobicContact CE2-CG2 3.82Å; F167-V198 HydrophobicContact CZ-CG2 4.27Å; F167-W229 HydrophobicContact CB-CD2 4.39Å; F167-W229 HydrophobicContact CB-CE3 3.76Å; F167-W229 HydrophobicContact CB-CZ3 4.04Å; F167-W229 HydrophobicContact CD1-CB 3.91Å; F167-W229 HydrophobicContact CD1-CE3 4.3Å; F167-W229 HydrophobicContact CD1-CG 4.47Å; F167-W229 AromaticContact CD2-CE3 3.75Å; F167-W229 HydrophobicContact CD2-CE3 3.75Å; F167-W229 HydrophobicContact CD2-CZ3 4.3Å; F167-W229 HydrophobicContact CE1-CB 3.84Å; F167-W229 WeakPolarHBondContact CE1-O 3.24Å; F167-W229 HydrophobicContact CE2-CE3 4.44Å; F167-W229 HydrophobicContact CG-CB 4.44Å; F167-W229 HydrophobicContact CG-CD2 4.35Å; F167-W229 AromaticContact CG-CE3 3.69Å; F167-W229 HydrophobicContact CG-CE3 3.69Å; F167-W229 HydrophobicContact CG-CZ3 4.35Å; F167-W229 HydrophobicContact CZ-CB 4.35Å; F167-F230 HydrophobicContact CE1-CD1 4.46Å; F167-F230 HydrophobicContact CE2-CD1 4.31Å; F167-F230 AromaticContact CE2-CE1 3.97Å; F167-F230 HydrophobicContact CE2-CE1 3.97Å; F167-F230 AromaticContact CZ-CD1 3.68Å; F167-F230 HydrophobicContact CZ-CD1 3.68Å; F167-F230 AromaticContact CZ-CE1 3.75Å; F167-F230 HydrophobicContact CZ-CE1 3.75Å; F167-A233 HydrophobicContact CE1-CB 3.78Å; F167-A233 HydrophobicContact CZ-CB 4.31Å
168C92Very high92.1Very high20 Ų2067 Ų6714%0.13534%0.338CS..Hα-helixtrans-61.2-40.4178.6-66.70000112.5Q164 E165 I166 I171 S172 M232 I236Q164-C168 WeakPolarHBondContact O-CB 3.23Å; Q164-C168 PolarHBondContact O-N 3.13Å; Q164-C168 PolarHBondContact O-SG 2.93Å; E165-C168 PolarHBondContact O-N 3.38Å; I166-C168 PolarHBondContact O-N 3.16Å; C168-I171 PolarHBondContact O-N 3.34Å; C168-S172 VanDerWaalsContact O-CB 3.27Å; C168-S172 WeakPolarHBondContact O-CB 3.41Å; C168-S172 PolarHBondContact O-N 2.95Å; C168-S172 PolarHBondContact O-OG 2.81Å; C168-M232 PolarHBondContact SG-SD 3.5Å; C168-I236 HydrophobicContact CB-CD1 3.95Å; C168-I236 WeakPolarHBondContact SG-CD1 3.37Å
169R92.7Very high93.1Very high193 Ų19366 Ų6673%0.72833%0.328SS*.Hα-helixtrans-62.1-42.5174.4-76.9-178.9-168.5175.85.2111.9E165 I166 F167 S172 A173E165-R169 WeakPolarHBondContact O-CG 3.43Å; E165-R169 PolarHBondContact O-N 3.37Å; I166-R169 PolarHBondContact O-N 3.02Å; F167-R169 VanDerWaalsContact C-N 3.34Å; F167-R169 PolarHBondContact O-N 3.27Å; R169-S172 PolarHBondContact O-N 3.05Å; R169-A173 PolarHBondContact O-N 2.99Å; R169-A173 VanDerWaalsContact O-N 3.14Å
170I93.5Very high93.6Very high48 Ų4859.4 Ų59.425%0.24629%0.293CS..Hα-helixtrans-64.4-46.1178.3-71.2164.3000110.6P161 I166 F167 S172 A173 N176 L200 L217P161-I170 HydrophobicContact CB-CD1 4.28Å; P161-I170 HydrophobicContact CG-CD1 3.6Å; I166-I170 HydrophobicContact CG2-CD1 3.87Å; I166-I170 WeakPolarHBondContact O-CG1 3.45Å; I166-I170 PolarHBondContact O-N 3.33Å; F167-I170 PolarHBondContact O-N 3.36Å; F167-I170 VanDerWaalsContact O-N 3.14Å; I170-S172 VanDerWaalsContact C-N 3.31Å; I170-S172 PolarHBondContact O-N 3.06Å; I170-A173 WeakPolarHBondContact O-CB 3.44Å; I170-A173 PolarHBondContact O-N 3.07Å; I170-N176 PolarHBondContact O-ND2 3.12Å; I170-L200 HydrophobicContact CG2-CD1 3.49Å; I170-L200 VanDerWaalsContact CG2-CD1 3.49Å; I170-L217 HydrophobicContact CG2-CD1 4.41Å
171I93.5Very high93.9Very high0 Ų057.2 Ų57.20%029%0.285CS..Hα-helixtrans-63.8-37.7178.4-64.7-62.1000111.5F167 C168 A173 N176 I179 L181 V198 L200 A233F167-I171 HydrophobicContact CD1-CG1 4.05Å; F167-I171 HydrophobicContact CE1-CD1 4.33Å; F167-I171 HydrophobicContact CE1-CG1 3.73Å; F167-I171 HydrophobicContact CE2-CD1 4.36Å; F167-I171 HydrophobicContact CE2-CG1 4.37Å; F167-I171 HydrophobicContact CG-CG1 4.5Å; F167-I171 HydrophobicContact CZ-CD1 3.97Å; F167-I171 HydrophobicContact CZ-CG1 3.88Å; F167-I171 WeakPolarHBondContact O-CG1 3.31Å; F167-I171 PolarHBondContact O-N 3.46Å; C168-I171 PolarHBondContact O-N 3.34Å; I171-A173 VanDerWaalsContact C-N 3.31Å; I171-A173 PolarHBondContact O-N 3.13Å; I171-N176 PolarHBondContact O-ND2 2.97Å; I171-I179 HydrophobicContact CD1-CD1 4.28Å; I171-I179 HydrophobicContact CD1-CG2 4.17Å; I171-I179 HydrophobicContact CG2-CD1 3.89Å; I171-I179 WeakPolarHBondContact O-CD1 3.35Å; I171-L181 HydrophobicContact CD1-CD2 4.28Å; I171-V198 HydrophobicContact CD1-CG1 3.93Å; I171-L200 HydrophobicContact CD1-CD2 4.13Å; I171-A233 HydrophobicContact CG1-CB 4.16Å; I171-A233 HydrophobicContact CG2-CB 4.01Å
172S92.1Very high94.1Very high54 Ų5456.9 Ų56.938%0.37828%0.283SS..THydrogen-bonded Turntrans-88.67.1-177-460000114C168 R169 I170 R174 I236C168-S172 VanDerWaalsContact O-CB 3.27Å; C168-S172 WeakPolarHBondContact O-CB 3.41Å; C168-S172 PolarHBondContact O-N 2.95Å; C168-S172 PolarHBondContact O-OG 2.81Å; R169-S172 PolarHBondContact O-N 3.05Å; I170-S172 VanDerWaalsContact C-N 3.31Å; I170-S172 PolarHBondContact O-N 3.06Å; S172-R174 PolarHBondContact O-N 3.23Å; S172-I236 VanDerWaalsContact OG-CG2 3.24Å; S172-I236 WeakPolarHBondContact OG-CG2 3.13Å
173A93.4Very high94.3Very high24 Ų2453.3 Ų53.320%0.19825%0.251CS..  trans-60.2135.5179.200000110.3R169 I170 I171 E175 N176R169-A173 PolarHBondContact O-N 2.99Å; R169-A173 VanDerWaalsContact O-N 3.14Å; I170-A173 WeakPolarHBondContact O-CB 3.44Å; I170-A173 PolarHBondContact O-N 3.07Å; I171-A173 VanDerWaalsContact C-N 3.31Å; I171-A173 PolarHBondContact O-N 3.13Å; A173-E175 WeakPolarHBondContact CB-OE2 3.39Å; A173-E175 PolarHBondContact O-N 3.24Å; A173-E175 VanDerWaalsContact O-N 3.17Å; A173-N176 WeakPolarHBondContact O-CB 3.37Å; A173-N176 PolarHBondContact O-N 2.94Å
174R92.8Very high94.4Very high239 Ų23950.8 Ų50.890%0.90224%0.236SC*.THydrogen-bonded Turntrans-66.7-19.8-173.6-68.1-177.4176.3-174.3-1.1112.8S172 N176S172-R174 PolarHBondContact O-N 3.23Å; R174-N176 VanDerWaalsContact C-N 3.3Å
175E93.9Very high94.5Very high104 Ų10452.8 Ų52.849%0.48624%0.243SC..THydrogen-bonded Turntrans-74.2-22177.3-59.475.5-166.400111.7A173 Q202 K203A173-E175 WeakPolarHBondContact CB-OE2 3.39Å; A173-E175 PolarHBondContact O-N 3.24Å; A173-E175 VanDerWaalsContact O-N 3.17Å; E175-Q202 HydrophobicContact CB-CB 4.5Å; E175-Q202 CarbonylContact O-C 3.44Å; E175-Q202 VanDerWaalsContact O-CA 3.22Å; E175-Q202 WeakPolarHBondContact O-CA 3.44Å; E175-K203 PolarHBondContact O-N 2.79Å
176N95.3Very high94.4Very high5 Ų547.7 Ų47.73%0.02722%0.22CC..EExtended strand (participates in β ladder)trans-72.2133.1-178.2-63.1-22.7000111.1I170 I171 A173 R174 I179 Q202 I240I170-N176 PolarHBondContact O-ND2 3.12Å; I171-N176 PolarHBondContact O-ND2 2.97Å; A173-N176 WeakPolarHBondContact O-CB 3.37Å; A173-N176 PolarHBondContact O-N 2.94Å; R174-N176 VanDerWaalsContact C-N 3.3Å; N176-I179 HydrophobicContact CB-CD1 4.2Å; N176-I179 HydrophobicContact CB-CG1 4.38Å; N176-Q202 WeakPolarHBondContact OD1-CG 3.5Å; N176-Q202 PolarHBondContact OD1-NE2 3.23Å; N176-Q202 VanDerWaalsContact OD1-NE2 3.11Å; N176-I240 HydrophobicContact CB-CD1 4.13Å; N176-I240 HydrophobicContact CB-CG2 4.42Å
177M94.8Very high94.3Very high87 Ų8747.3 Ų47.343%0.42922%0.216SC..EExtended strand (participates in β ladder)trans-115.5-31.1-178.4-64-65.3-53.800113.1R201 K203 Y212 P241M177-R201 PolarHBondContact N-O 3.21Å; M177-K203 HydrophobicContact CG-CB 3.78Å; M177-K203 HydrophobicContact SD-CB 4.02Å; M177-K203 HydrophobicContact SD-CD 4.46Å; M177-Y212 HydrophobicContact CG-CD1 4.24Å; M177-Y212 HydrophobicContact CG-CE1 4.22Å; M177-P241 WeakPolarHBondContact O-CD 3.23Å
178D94.7Very high93.8Very high25 Ų2551.6 Ų51.613%0.13425%0.251CS..EExtended strand (participates in β ladder)trans-156.7136.3177.5-176.28.5000108.1R201 R243 F266D178-R201 HydrophobicContact CB-CB 4.28Å; D178-R201 WeakPolarHBondContact O-CB 3.03Å; D178-R201 PolarHBondContact O-N 3.36Å; D178-R243 IonicContact OD1-NE 3.51Å; D178-R243 IonicContact OD1-NH2 3.65Å; D178-R243 IonicContact OD2-CZ 3.68Å; D178-R243 IonicContact OD2-NE 3.85Å; D178-R243 IonicContact OD2-NH2 2.79Å; D178-R243 PolarHBondContact OD2-NH2 3.15Å; D178-F266 HydrophobicContact CB-CD1 4.39Å; D178-F266 HydrophobicContact CB-CE1 3.92Å; D178-F266 VanDerWaalsContact OD2-CD1 3.26Å; D178-F266 WeakPolarHBondContact OD2-CD1 3.35Å; D178-F266 WeakPolarHBondContact OD2-CE1 3.3Å
179I96Very high93.6Very high0 Ų053.2 Ų53.20%027%0.272CS..EExtended strand (participates in β ladder)trans-125.7129.3-174-58.8179.1000109.4I171 N176 L181 V198 L199 L200 I240 P241 V242 R243I171-I179 HydrophobicContact CD1-CD1 4.28Å; I171-I179 HydrophobicContact CD1-CG2 4.17Å; I171-I179 HydrophobicContact CG2-CD1 3.89Å; I171-I179 WeakPolarHBondContact O-CD1 3.35Å; N176-I179 HydrophobicContact CB-CD1 4.2Å; N176-I179 HydrophobicContact CB-CG1 4.38Å; I179-L181 HydrophobicContact CG2-CD2 3.97Å; I179-L181 HydrophobicContact CG2-CG 4.39Å; I179-V198 HydrophobicContact CG2-CG1 4.15Å; I179-L199 WeakPolarHBondContact CA-O 3.49Å; I179-L200 HydrophobicContact CB-CD2 4.45Å; I179-L200 HydrophobicContact CD1-CD2 3.93Å; I179-L200 HydrophobicContact CG1-CD2 3.84Å; I179-L200 HydrophobicContact CG2-CD2 3.95Å; I179-I240 HydrophobicContact CD1-CG2 4.08Å; I179-I240 HydrophobicContact CG1-CG2 4.1Å; I179-P241 PolarHBondContact N-O 3.27Å; I179-V242 HydrophobicContact CB-CG1 4.49Å; I179-V242 HydrophobicContact CB-CG2 4.28Å; I179-V242 HydrophobicContact CD1-CG2 4.38Å; I179-V242 HydrophobicContact CG2-CG1 4.33Å; I179-V242 WeakPolarHBondContact O-CA 3.27Å; I179-R243 PolarHBondContact O-N 3.36Å
180I96.4Very high92.8Very high1 Ų150.1 Ų50.11%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-109.1116.7168.9-62.1175.2000108.3W182 V198 L199 R243 V245 F266 L270I180-W182 HydrophobicContact CG2-CB 4.22Å; I180-V198 WeakPolarHBondContact O-CA 3.34Å; I180-L199 HydrophobicContact CB-CB 4.19Å; I180-L199 HydrophobicContact CB-CD1 4.43Å; I180-L199 PolarHBondContact N-O 3.3Å; I180-L199 PolarHBondContact O-N 2.94Å; I180-R243 WeakPolarHBondContact CA-O 3.5Å; I180-V245 HydrophobicContact CG2-CG2 3.43Å; I180-V245 VanDerWaalsContact CG2-CG2 3.43Å; I180-F266 HydrophobicContact CB-CZ 4.34Å; I180-F266 HydrophobicContact CD1-CD1 3.89Å; I180-F266 HydrophobicContact CD1-CD2 3.85Å; I180-F266 HydrophobicContact CD1-CE1 3.77Å; I180-F266 HydrophobicContact CD1-CE2 3.73Å; I180-F266 HydrophobicContact CD1-CG 3.92Å; I180-F266 HydrophobicContact CD1-CZ 3.7Å; I180-F266 HydrophobicContact CG1-CD1 4.33Å; I180-F266 HydrophobicContact CG1-CE1 3.78Å; I180-F266 HydrophobicContact CG1-CE2 4.26Å; I180-F266 HydrophobicContact CG1-CZ 3.75Å; I180-L270 HydrophobicContact CD1-CD1 4.07Å
181L96.3Very high92.1Very high0 Ų052.9 Ų52.90%029%0.286CS..EExtended strand (participates in β ladder)trans-93119163.2-52.6179.7000106.9F167 I171 I179 V198 F230 A233 R234 V242 R243 A244 V245F167-L181 HydrophobicContact CZ-CD2 4.46Å; I171-L181 HydrophobicContact CD1-CD2 4.28Å; I179-L181 HydrophobicContact CG2-CD2 3.97Å; I179-L181 HydrophobicContact CG2-CG 4.39Å; L181-V198 HydrophobicContact CD2-CB 4.39Å; L181-V198 HydrophobicContact CD2-CG1 3.98Å; L181-V198 HydrophobicContact CD2-CG2 3.77Å; L181-F230 HydrophobicContact CB-CD2 4.13Å; L181-F230 HydrophobicContact CB-CE2 4.04Å; L181-F230 HydrophobicContact CB-CG 4.39Å; L181-F230 HydrophobicContact CB-CZ 4.31Å; L181-F230 HydrophobicContact CD1-CB 4.16Å; L181-F230 HydrophobicContact CD1-CD1 4.31Å; L181-F230 HydrophobicContact CD1-CG 4.14Å; L181-F230 HydrophobicContact CD2-CD1 4.22Å; L181-F230 HydrophobicContact CD2-CE1 4.05Å; L181-F230 HydrophobicContact CD2-CZ 4.34Å; L181-A233 HydrophobicContact CD1-CB 3.94Å; L181-R234 HydrophobicContact CD1-CG 4.22Å; L181-V242 HydrophobicContact CD1-CG1 3.67Å; L181-V242 HydrophobicContact CG-CG1 3.85Å; L181-R243 PolarHBondContact N-O 3.16Å; L181-A244 CarbonylContact O-C 3.41Å; L181-A244 WeakPolarHBondContact O-CA 3.32Å; L181-V245 PolarHBondContact O-N 3.44Å
182W96.7Very high91.7Very high0 Ų056.8 Ų56.80%031%0.314CS..EExtended strand (participates in β ladder)trans-122.6151.4-177.667.5-95.2000112.1I180 C196 G197 P219 V245 L247 A252 L255 I256I180-W182 HydrophobicContact CG2-CB 4.22Å; W182-C196 CarbonylContact O-C 3.59Å; W182-C196 WeakPolarHBondContact O-CA 3.33Å; W182-C196 WeakPolarHBondContact O-CB 3.47Å; W182-G197 VanDerWaalsContact CD1-C 3.45Å; W182-G197 VanDerWaalsContact CD1-O 3.28Å; W182-G197 PolarHBondContact N-O 3.37Å; W182-G197 VanDerWaalsContact NE1-C 3.31Å; W182-G197 VanDerWaalsContact NE1-CA 3.28Å; W182-G197 PolarHBondContact O-N 3.31Å; W182-P219 HydrophobicContact CH2-CB 3.85Å; W182-P219 HydrophobicContact CH2-CG 4.25Å; W182-P219 HydrophobicContact CZ2-CB 3.78Å; W182-P219 HydrophobicContact CZ2-CG 3.8Å; W182-V245 VanDerWaalsContact CA-O 3.3Å; W182-V245 WeakPolarHBondContact CA-O 3.41Å; W182-V245 HydrophobicContact CB-CG2 3.72Å; W182-L247 HydrophobicContact CB-CD1 3.95Å; W182-L247 HydrophobicContact CB-CG 3.89Å; W182-L247 HydrophobicContact CD2-CD1 3.59Å; W182-L247 HydrophobicContact CD2-CG 4.33Å; W182-L247 HydrophobicContact CE3-CD1 3.69Å; W182-L247 HydrophobicContact CE3-CG 4.24Å; W182-L247 HydrophobicContact CG-CD1 3.72Å; W182-L247 HydrophobicContact CG-CG 4.22Å; W182-L247 HydrophobicContact CZ3-CD1 4.45Å; W182-A252 HydrophobicContact CZ3-CB 4.11Å; W182-L255 HydrophobicContact CD2-CD2 4.31Å; W182-L255 VanDerWaalsContact CE2-CD2 3.46Å; W182-L255 HydrophobicContact CZ2-CD2 3.65Å; W182-L255 HydrophobicContact CZ2-CG 4.49Å; W182-L255 VanDerWaalsContact NE1-CD2 3.26Å; W182-I256 HydrophobicContact CH2-CD1 4.05Å; W182-I256 HydrophobicContact CH2-CG1 3.95Å
183H96.9Very high91.6Very high11 Ų1155 Ų555%0.05130%0.304CS..EExtended strand (participates in β ladder)trans-134.2161.3166.375.6111.7000110.2E194 Y195 C196 M222 V245 T246 L247 W273H183-E194 HydrophobicContact CB-CG 4.38Å; H183-E194 IonicContact CE1-OE1 3.64Å; H183-E194 IonicContact CG-OE1 3.46Å; H183-E194 IonicContact ND1-OE1 2.67Å; H183-E194 PolarHBondContact ND1-OE1 3.44Å; H183-Y195 CarbonylContact C-O 3.52Å; H183-Y195 WeakPolarHBondContact CA-O 3.42Å; H183-C196 HydrophobicContact CB-CB 4.49Å; H183-M222 HydrophobicContact CB-CE 3.82Å; H183-V245 PolarHBondContact CD2-O 3.44Å; H183-V245 VanDerWaalsContact CD2-O 3.23Å; H183-V245 PolarHBondContact N-O 3.06Å; H183-V245 VanDerWaalsContact N-O 3.09Å; H183-T246 PolarHBondContact CE1-OG1 2.87Å; H183-T246 WeakPolarHBondContact NE2-CB 3.29Å; H183-T246 PolarHBondContact NE2-OG1 3.28Å; H183-L247 PolarHBondContact O-N 3.02Å; H183-W273 AromaticContact CD2-CD1 3.7Å; H183-W273 AromaticContact CD2-CD2 3.39Å; H183-W273 AromaticContact CD2-CE2 3.67Å; H183-W273 AromaticContact CD2-CE3 3.9Å; H183-W273 AromaticContact CD2-CG 3.42Å; H183-W273 VanDerWaalsContact CD2-CG 3.42Å; H183-W273 AromaticContact CD2-NE1 3.82Å; H183-W273 AromaticContact CE1-CD1 3.59Å; H183-W273 AromaticContact CE1-NE1 3.57Å; H183-W273 AromaticContact NE2-CD1 3.05Å; H183-W273 AromaticContact NE2-CD2 3.63Å; H183-W273 AromaticContact NE2-CE2 3.78Å; H183-W273 AromaticContact NE2-CG 3.17Å; H183-W273 AromaticContact NE2-NE1 3.41Å; H183-W273 PolarHBondContact NE2-NE1 3.38Å
184G95.8Very high91.7Very high0 Ų056.7 Ų56.70%031%0.308CS..EExtended strand (participates in β ladder)trans179.1173.8178.300000113.9P186 E194 Y195G184-P186 VanDerWaalsContact C-CD 3.46Å; G184-P186 WeakPolarHBondContact O-CD 3.27Å; G184-E194 WeakPolarHBondContact O-CA 3.48Å; G184-Y195 PolarHBondContact N-O 2.92Å; G184-Y195 PolarHBondContact O-N 3.47Å
185F95.1Very high91.9Very high109 Ų10946.9 Ų46.948%0.47827%0.271SS..  trans-117.775.4-176.6-60.8-92.3000109.6F187 E194 P249F185-F187 PolarHBondContact O-N 3.41Å; F185-E194 HydrophobicContact CD1-CB 4.2Å; F185-E194 HydrophobicContact CE1-CB 3.59Å; F185-E194 HydrophobicContact CE1-CG 4.15Å; F185-E194 HydrophobicContact CE2-CG 4.35Å; F185-E194 HydrophobicContact CZ-CB 3.83Å; F185-E194 HydrophobicContact CZ-CG 3.9Å; F185-P249 WeakPolarHBondContact O-CB 3.25Å
186P92.1Very high92Very high9 Ų942 Ų426%0.05825%0.248CC..  trans-68.5-29.5-170.127.5-38000114.2G184 Y195 A252 E253 I256G184-P186 VanDerWaalsContact C-CD 3.46Å; G184-P186 WeakPolarHBondContact O-CD 3.27Å; P186-Y195 HydrophobicContact CG-CD2 3.63Å; P186-Y195 HydrophobicContact CG-CE2 4.27Å; P186-Y195 HydrophobicContact CG-CG 4.07Å; P186-A252 HydrophobicContact CB-CB 3.87Å; P186-A252 HydrophobicContact CG-CB 4.47Å; P186-E253 HydrophobicContact CB-CB 4.1Å; P186-I256 HydrophobicContact CB-CD1 3.84Å; P186-I256 HydrophobicContact CG-CD1 3.51Å
187F91.2Very high92Very high65 Ų6541.7 Ų41.729%0.28525%0.246SC..  trans-122.7148.6-169.3-51.5-62.3000111.6F185 H191 S192 Y195 E253 I256F185-F187 PolarHBondContact O-N 3.41Å; F187-H191 HydrophobicContact CB-CB 3.74Å; F187-H191 HydrophobicContact CD2-CB 4.13Å; F187-H191 HydrophobicContact CG-CB 4.18Å; F187-S192 WeakPolarHBondContact O-CA 3.28Å; F187-Y195 HydrophobicContact CD2-CE2 4.02Å; F187-Y195 HydrophobicContact CE2-CE2 4.32Å; F187-E253 HydrophobicContact CD1-CG 4.39Å; F187-E253 HydrophobicContact CE1-CG 3.8Å; F187-I256 HydrophobicContact CE2-CD1 4.28Å; F187-I256 HydrophobicContact CE2-CG2 4.37Å; F187-I256 HydrophobicContact CZ-CD1 4.5Å; F187-I256 HydrophobicContact CZ-CG2 4.02Å
188A85.3Confident92Very high89 Ų8937.6 Ų37.674%0.73623%0.226SC*.  trans-97.3167.817000000111.5
189G86.8Confident92.1Very high55 Ų5536.4 Ų36.457%0.56722%0.22SC*.G310 helixtrans73.1-136173.100000113.6H191 S192G189-H191 PolarHBondContact O-N 2.86Å; G189-H191 VanDerWaalsContact O-N 3.1Å; G189-S192 WeakPolarHBondContact O-CB 3.26Å; G189-S192 PolarHBondContact O-N 3.45Å; G189-S192 PolarHBondContact O-OG 3.02Å
190T77Confident92.1Very high128 Ų12836.4 Ų36.479%0.78522%0.22SC*.G310 helixtrans-61.4-21.3-175.649.70000114.2
191H78.8Confident92Very high105 Ų10540.2 Ų40.249%0.48623%0.234SC..G310 helixtrans-102.612.7177.2-56.999.8000112.9F187 G189 G193F187-H191 HydrophobicContact CB-CB 3.74Å; F187-H191 HydrophobicContact CD2-CB 4.13Å; F187-H191 HydrophobicContact CG-CB 4.18Å; G189-H191 PolarHBondContact O-N 2.86Å; G189-H191 VanDerWaalsContact O-N 3.1Å; H191-G193 PolarHBondContact O-N 3.49Å
192S84Confident92Very high83 Ų8341.3 Ų41.358%0.5824%0.239SC*.  trans-67.180.3174.259.30000110.9F187 G189F187-S192 WeakPolarHBondContact O-CA 3.28Å; G189-S192 WeakPolarHBondContact O-CB 3.26Å; G189-S192 PolarHBondContact O-N 3.45Å; G189-S192 PolarHBondContact O-OG 3.02Å
193G91Very high92Very high17 Ų1745.7 Ų45.718%0.17526%0.258CS..  trans-131159.2172.600000109.2H191 Y195H191-G193 PolarHBondContact O-N 3.49Å; G193-Y195 WeakPolarHBondContact O-CD2 3.47Å
194E95.3Very high91.9Very high59 Ų5947.3 Ų47.328%0.27627%0.265SS..  trans-73.5130.6166.6-171.2171.8-157.900109.1H183 G184 F185 M222H183-E194 HydrophobicContact CB-CG 4.38Å; H183-E194 IonicContact CE1-OE1 3.64Å; H183-E194 IonicContact CG-OE1 3.46Å; H183-E194 IonicContact ND1-OE1 2.67Å; H183-E194 PolarHBondContact ND1-OE1 3.44Å; G184-E194 WeakPolarHBondContact O-CA 3.48Å; F185-E194 HydrophobicContact CD1-CB 4.2Å; F185-E194 HydrophobicContact CE1-CB 3.59Å; F185-E194 HydrophobicContact CE1-CG 4.15Å; F185-E194 HydrophobicContact CE2-CG 4.35Å; F185-E194 HydrophobicContact CZ-CB 3.83Å; F185-E194 HydrophobicContact CZ-CG 3.9Å; E194-M222 HydrophobicContact CB-CB 3.9Å; E194-M222 HydrophobicContact CG-CB 3.67Å; E194-M222 HydrophobicContact CG-CG 4.22Å; E194-M222 PolarHBondContact O-N 3.16Å
195Y95.9Very high91.9Very high33 Ų3353.7 Ų53.713%0.12930%0.295CS..EExtended strand (participates in β ladder)trans-113.2151172.1-76.7-102.6000109H183 G184 P186 F187 G193 A220 R221 I256H183-Y195 CarbonylContact C-O 3.52Å; H183-Y195 WeakPolarHBondContact CA-O 3.42Å; G184-Y195 PolarHBondContact N-O 2.92Å; G184-Y195 PolarHBondContact O-N 3.47Å; P186-Y195 HydrophobicContact CG-CD2 3.63Å; P186-Y195 HydrophobicContact CG-CE2 4.27Å; P186-Y195 HydrophobicContact CG-CG 4.07Å; F187-Y195 HydrophobicContact CD2-CE2 4.02Å; F187-Y195 HydrophobicContact CE2-CE2 4.32Å; G193-Y195 WeakPolarHBondContact O-CD2 3.47Å; Y195-A220 CarbonylContact C-O 3.6Å; Y195-A220 VanDerWaalsContact CA-O 3.29Å; Y195-A220 WeakPolarHBondContact CA-O 3.19Å; Y195-R221 HydrophobicContact CD1-CG 4.2Å; Y195-R221 HydrophobicContact CE1-CG 3.7Å; Y195-R221 HydrophobicContact CE2-CG 4.13Å; Y195-R221 PolarHBondContact OH-NE 3.25Å; Y195-I256 HydrophobicContact CD1-CD1 4.2Å; Y195-I256 HydrophobicContact CG-CD1 4.08Å
196C95.9Very high92Very high0 Ų049.5 Ų49.50%028%0.277CS..EExtended strand (participates in β ladder)trans-131.6159.1175.766.10000111.4W182 H183 P219 A220 M222 F230W182-C196 CarbonylContact O-C 3.59Å; W182-C196 WeakPolarHBondContact O-CA 3.33Å; W182-C196 WeakPolarHBondContact O-CB 3.47Å; H183-C196 HydrophobicContact CB-CB 4.49Å; C196-P219 CarbonylContact O-C 3.43Å; C196-P219 VanDerWaalsContact O-CA 3.31Å; C196-P219 WeakPolarHBondContact O-CA 3.23Å; C196-A220 PolarHBondContact N-O 2.81Å; C196-A220 PolarHBondContact O-N 3.1Å; C196-M222 HydrophobicContact CB-CB 4.48Å; C196-M222 HydrophobicContact CB-CE 3.51Å; C196-M222 HydrophobicContact CB-SD 3.92Å; C196-F230 HydrophobicContact CB-CE2 3.77Å; C196-F230 HydrophobicContact CB-CZ 4.02Å
197G95.6Very high92Very high0 Ų052.2 Ų52.20%029%0.291CS..EExtended strand (participates in β ladder)trans-160.1171.9175.400000112.4W182 F230W182-G197 VanDerWaalsContact CD1-C 3.45Å; W182-G197 VanDerWaalsContact CD1-O 3.28Å; W182-G197 PolarHBondContact N-O 3.37Å; W182-G197 VanDerWaalsContact NE1-C 3.31Å; W182-G197 VanDerWaalsContact NE1-CA 3.28Å; W182-G197 PolarHBondContact O-N 3.31Å; G197-F230 WeakPolarHBondContact O-CZ 3.33Å
198V95.8Very high92.1Very high0 Ų056.3 Ų56.30%032%0.316CS..EExtended strand (participates in β ladder)trans-129.8130.6-179.7-177.70000108.8W160 F167 I171 I179 I180 L181 L200 L217 F230W160-V198 HydrophobicContact CH2-CG2 4.42Å; W160-V198 HydrophobicContact CZ3-CG2 4.3Å; F167-V198 HydrophobicContact CE2-CG2 3.82Å; F167-V198 HydrophobicContact CZ-CG2 4.27Å; I171-V198 HydrophobicContact CD1-CG1 3.93Å; I179-V198 HydrophobicContact CG2-CG1 4.15Å; I180-V198 WeakPolarHBondContact O-CA 3.34Å; L181-V198 HydrophobicContact CD2-CB 4.39Å; L181-V198 HydrophobicContact CD2-CG1 3.98Å; L181-V198 HydrophobicContact CD2-CG2 3.77Å; V198-L200 HydrophobicContact CG1-CD2 3.59Å; V198-L200 HydrophobicContact CG1-CG 3.93Å; V198-L217 HydrophobicContact CB-CB 4.3Å; V198-L217 HydrophobicContact CB-CD1 3.85Å; V198-L217 HydrophobicContact CB-CG 4.05Å; V198-L217 HydrophobicContact CG1-CD1 4.27Å; V198-L217 HydrophobicContact CG2-CD1 4.25Å; V198-L217 PolarHBondContact O-N 3.04Å; V198-F230 HydrophobicContact CG2-CE1 3.68Å; V198-F230 HydrophobicContact CG2-CZ 3.85Å
199L96.2Very high92.5Very high0 Ų053 Ų530%029%0.287CS..EExtended strand (participates in β ladder)trans-114.1127170.9-50.8179.6000109.1I179 I180 V214 L215 S216 L255 P262 L265 F266I179-L199 WeakPolarHBondContact CA-O 3.49Å; I180-L199 HydrophobicContact CB-CB 4.19Å; I180-L199 HydrophobicContact CB-CD1 4.43Å; I180-L199 PolarHBondContact N-O 3.3Å; I180-L199 PolarHBondContact O-N 2.94Å; L199-V214 HydrophobicContact CB-CG1 3.97Å; L199-L215 WeakPolarHBondContact CA-O 3.23Å; L199-S216 VanDerWaalsContact CD2-OG 3.29Å; L199-S216 WeakPolarHBondContact CD2-OG 3.27Å; L199-L255 HydrophobicContact CD1-CD2 4.37Å; L199-L255 HydrophobicContact CD2-CD1 4.25Å; L199-L255 HydrophobicContact CD2-CD2 4.04Å; L199-P262 HydrophobicContact CD1-CB 4.49Å; L199-P262 HydrophobicContact CD2-CB 4.01Å; L199-L265 HydrophobicContact CD1-CB 4.08Å; L199-L265 HydrophobicContact CD1-CD1 3.71Å; L199-F266 HydrophobicContact CB-CE2 3.76Å; L199-F266 HydrophobicContact CB-CZ 3.97Å; L199-F266 HydrophobicContact CD1-CE2 4.12Å
200L95.4Very high92.9Very high0 Ų053.7 Ų53.70%028%0.277CS..EExtended strand (participates in β ladder)trans-116.4105.2-176.9-54.4168.7000108.1I170 I171 I179 V198 Q202 V214 L215 L217I170-L200 HydrophobicContact CG2-CD1 3.49Å; I170-L200 VanDerWaalsContact CG2-CD1 3.49Å; I171-L200 HydrophobicContact CD1-CD2 4.13Å; I179-L200 HydrophobicContact CB-CD2 4.45Å; I179-L200 HydrophobicContact CD1-CD2 3.93Å; I179-L200 HydrophobicContact CG1-CD2 3.84Å; I179-L200 HydrophobicContact CG2-CD2 3.95Å; V198-L200 HydrophobicContact CG1-CD2 3.59Å; V198-L200 HydrophobicContact CG1-CG 3.93Å; L200-Q202 HydrophobicContact CB-CG 4.21Å; L200-Q202 PolarHBondContact O-N 3.42Å; L200-V214 CarbonylContact O-C 3.44Å; L200-V214 WeakPolarHBondContact O-CA 3.5Å; L200-L215 HydrophobicContact CB-CB 4.3Å; L200-L215 HydrophobicContact CD1-CD2 4.19Å; L200-L215 PolarHBondContact N-O 3.25Å; L200-L215 PolarHBondContact O-N 2.78Å; L200-L217 HydrophobicContact CD1-CD2 4.37Å; L200-L217 HydrophobicContact CD1-CG 4.49Å
201R96.3Very high93.9Very high82 Ų8247.8 Ų47.831%0.30924%0.24SC..EExtended strand (participates in β ladder)trans-79.3114.9169.7-171.7176.4-176.4-167.4-1.8108.2M177 D178 V214 F266M177-R201 PolarHBondContact N-O 3.21Å; D178-R201 HydrophobicContact CB-CB 4.28Å; D178-R201 WeakPolarHBondContact O-CB 3.03Å; D178-R201 PolarHBondContact O-N 3.36Å; R201-V214 HydrophobicContact CB-CG2 4.08Å; R201-V214 HydrophobicContact CG-CG2 4.09Å; R201-F266 HydrophobicContact CB-CD1 4.36Å; R201-F266 HydrophobicContact CB-CE1 3.8Å; R201-F266 HydrophobicContact CB-CZ 3.92Å
202Q95.4Very high94.7Very high22 Ų2247 Ų4710%0.10323%0.234CC..EExtended strand (participates in β ladder)trans-113.6139.5-170.5-69.6179.9-32.100111.3Y140 E175 N176 L200 Y212 P213Y140-Q202 PolarHBondContact OH-OE1 2.69Å; E175-Q202 HydrophobicContact CB-CB 4.5Å; E175-Q202 CarbonylContact O-C 3.44Å; E175-Q202 VanDerWaalsContact O-CA 3.22Å; E175-Q202 WeakPolarHBondContact O-CA 3.44Å; N176-Q202 WeakPolarHBondContact OD1-CG 3.5Å; N176-Q202 PolarHBondContact OD1-NE2 3.23Å; N176-Q202 VanDerWaalsContact OD1-NE2 3.11Å; L200-Q202 HydrophobicContact CB-CG 4.21Å; L200-Q202 PolarHBondContact O-N 3.42Å; Q202-Y212 CarbonylContact O-C 3.57Å; Q202-Y212 VanDerWaalsContact O-CA 3.24Å; Q202-Y212 WeakPolarHBondContact O-CA 3.44Å; Q202-P213 PolarHBondContact N-O 3.26Å; Q202-P213 VanDerWaalsContact O-CD 3.26Å; Q202-P213 WeakPolarHBondContact O-CD 3.45Å
203K96.5Very high95.2Very high92 Ų9243.1 Ų43.140%0.421%0.206SC..  trans-78.9118.5167.5-176.3-176.7176.4-175.80108.6E175 M177 I210 Y212E175-K203 PolarHBondContact O-N 2.79Å; M177-K203 HydrophobicContact CG-CB 3.78Å; M177-K203 HydrophobicContact SD-CB 4.02Å; M177-K203 HydrophobicContact SD-CD 4.46Å; K203-I210 HydrophobicContact CD-CG2 4.38Å; K203-I210 HydrophobicContact CG-CG2 3.76Å; K203-Y212 HydrophobicContact CB-CD1 4.23Å; K203-Y212 HydrophobicContact CB-CE1 4Å; K203-Y212 HydrophobicContact CG-CE1 3.98Å
204K95.4Very high95.4Very high46 Ų4642.5 Ų42.520%0.220%0.199CC..EExtended strand (participates in β ladder)trans-118.7138.7169.8-69.2-167-178.9174.60110.3Y140 I206 I210 I211 P213Y140-K204 VanDerWaalsContact CZ-CE 3.49Å; Y140-K204 WeakPolarHBondContact OH-CE 3.32Å; Y140-K204 PolarHBondContact OH-NZ 3.4Å; K204-I206 HydrophobicContact CB-CD1 4.34Å; K204-I206 HydrophobicContact CB-CG1 4.25Å; K204-I206 HydrophobicContact CD-CD1 4.43Å; K204-I210 CarbonylContact O-C 3.42Å; K204-I210 WeakPolarHBondContact O-CA 3.39Å; K204-I211 HydrophobicContact CB-CG1 4.1Å; K204-I211 PolarHBondContact N-O 3.29Å; K204-I211 PolarHBondContact O-N 3.23Å; K204-P213 HydrophobicContact CB-CG 4.48Å; K204-P213 HydrophobicContact CD-CG 3.89Å; K204-P213 HydrophobicContact CG-CG 4.03Å
205E96.2Very high95.4Very high134 Ų13440.9 Ų40.963%0.62619%0.192SC*.EExtended strand (participates in β ladder)trans-104.6121.4169.4-174.1173.8174.300109T209 I210E205-T209 WeakPolarHBondContact CA-O 3.1Å; E205-I210 HydrophobicContact CG-CG1 4.48Å
206I95.5Very high95.3Very high20 Ų2039.6 Ų39.610%0.10319%0.188CC..EExtended strand (participates in β ladder)trans-137.2123.3-175.3-54.1-175.9000107.1L106 W138 K204 N208 T209 I211L106-I206 HydrophobicContact CD2-CB 3.9Å; L106-I206 HydrophobicContact CD2-CG2 4.18Å; W138-I206 HydrophobicContact CB-CD1 3.66Å; W138-I206 VanDerWaalsContact CD1-CD1 3.48Å; W138-I206 HydrophobicContact CD2-CD1 3.81Å; W138-I206 HydrophobicContact CD2-CG2 4.02Å; W138-I206 HydrophobicContact CE3-CG2 4.5Å; W138-I206 HydrophobicContact CG-CD1 3.34Å; W138-I206 HydrophobicContact CH2-CG2 4.1Å; W138-I206 HydrophobicContact CZ2-CG2 3.6Å; K204-I206 HydrophobicContact CB-CD1 4.34Å; K204-I206 HydrophobicContact CB-CG1 4.25Å; K204-I206 HydrophobicContact CD-CD1 4.43Å; I206-N208 VanDerWaalsContact C-N 3.27Å; I206-N208 PolarHBondContact O-N 3.34Å; I206-T209 PolarHBondContact N-O 2.94Å; I206-T209 WeakPolarHBondContact O-CA 3.33Å; I206-T209 VanDerWaalsContact O-CB 3.32Å; I206-T209 WeakPolarHBondContact O-CB 3.01Å; I206-T209 PolarHBondContact O-N 2.85Å; I206-T209 VanDerWaalsContact O-O 3.08Å; I206-I211 HydrophobicContact CD1-CD1 3.64Å; I206-I211 HydrophobicContact CD1-CG1 4.17Å; I206-I211 HydrophobicContact CG1-CD1 4.5Å
207N93.7Very high95.2Very high67 Ų6739.8 Ų39.836%0.35819%0.189SC..THydrogen-bonded Turntrans50.347.8179.8-56.7-33.3000112.2L106 P109 T209L106-N207 PolarHBondContact O-ND2 3.14Å; P109-N207 WeakPolarHBondContact CD-ND2 3.11Å; P109-N207 HydrophobicContact CG-CB 4.41Å; P109-N207 VanDerWaalsContact CG-CG 3.48Å; P109-N207 VanDerWaalsContact CG-ND2 3.28Å; P109-N207 WeakPolarHBondContact CG-ND2 3.5Å; N207-T209 PolarHBondContact O-N 2.88Å; N207-T209 VanDerWaalsContact O-N 3.11Å; N207-T209 PolarHBondContact O-OG1 2.54Å
208N91.6Very high95Very high150 Ų15046.4 Ų46.480%0.80222%0.215SC*.THydrogen-bonded Turntrans57.121.1-176.4-56.1-15.4000114.5I206I206-N208 VanDerWaalsContact C-N 3.27Å; I206-N208 PolarHBondContact O-N 3.34Å
209T94.5Very high94.8Very high19 Ų1947 Ų4712%0.11722%0.219CC..EExtended strand (participates in β ladder)trans-121.6131.6179.7-56.20000109.2T102 A105 L106 E205 I206 N207T102-T209 HydrophobicContact CG2-CG2 3.58Å; A105-T209 HydrophobicContact CB-CG2 4.41Å; A105-T209 VanDerWaalsContact CB-OG1 3.24Å; A105-T209 WeakPolarHBondContact CB-OG1 3.19Å; L106-T209 HydrophobicContact CD2-CG2 4.05Å; L106-T209 HydrophobicContact CG-CG2 4.11Å; E205-T209 WeakPolarHBondContact CA-O 3.1Å; I206-T209 PolarHBondContact N-O 2.94Å; I206-T209 WeakPolarHBondContact O-CA 3.33Å; I206-T209 VanDerWaalsContact O-CB 3.32Å; I206-T209 WeakPolarHBondContact O-CB 3.01Å; I206-T209 PolarHBondContact O-N 2.85Å; I206-T209 VanDerWaalsContact O-O 3.08Å; N207-T209 PolarHBondContact O-N 2.88Å; N207-T209 VanDerWaalsContact O-N 3.11Å; N207-T209 PolarHBondContact O-OG1 2.54Å
210I95.9Very high94.7Very high71 Ų7147.8 Ų47.836%0.36423%0.226SC..EExtended strand (participates in β ladder)trans-91.3129.6178.7-63.2165.9000109.2K203 K204 E205 Y212K203-I210 HydrophobicContact CD-CG2 4.38Å; K203-I210 HydrophobicContact CG-CG2 3.76Å; K204-I210 CarbonylContact O-C 3.42Å; K204-I210 WeakPolarHBondContact O-CA 3.39Å; E205-I210 HydrophobicContact CG-CG1 4.48Å; I210-Y212 HydrophobicContact CG2-CE1 4.28Å; I210-Y212 HydrophobicContact CG2-CE2 3.99Å
211I96.3Very high94.6Very high3 Ų353.9 Ų53.92%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-126163.7171.456.8163.7000111.1I98 L106 W138 F139 K204 I206 P213I98-I211 HydrophobicContact CD1-CG2 4.11Å; L106-I211 HydrophobicContact CD1-CG2 3.67Å; L106-I211 HydrophobicContact CD2-CG2 3.86Å; L106-I211 HydrophobicContact CG-CG2 4.24Å; W138-I211 HydrophobicContact CB-CD1 4.12Å; F139-I211 HydrophobicContact CE1-CD1 4.04Å; F139-I211 HydrophobicContact CE2-CD1 4.44Å; F139-I211 HydrophobicContact CZ-CD1 3.9Å; K204-I211 HydrophobicContact CB-CG1 4.1Å; K204-I211 PolarHBondContact N-O 3.29Å; K204-I211 PolarHBondContact O-N 3.23Å; I206-I211 HydrophobicContact CD1-CD1 3.64Å; I206-I211 HydrophobicContact CD1-CG1 4.17Å; I206-I211 HydrophobicContact CG1-CD1 4.5Å; I211-P213 VanDerWaalsContact C-CD 3.42Å; I211-P213 HydrophobicContact CD1-CG 4.32Å; I211-P213 WeakPolarHBondContact O-CD 3.49Å
212Y96.4Very high94.6Very high90 Ų9051.3 Ų51.335%0.35324%0.24SC..  trans-125.264.8-178.8-57-84.6000112.6M177 Q202 K203 I210M177-Y212 HydrophobicContact CG-CD1 4.24Å; M177-Y212 HydrophobicContact CG-CE1 4.22Å; Q202-Y212 CarbonylContact O-C 3.57Å; Q202-Y212 VanDerWaalsContact O-CA 3.24Å; Q202-Y212 WeakPolarHBondContact O-CA 3.44Å; K203-Y212 HydrophobicContact CB-CD1 4.23Å; K203-Y212 HydrophobicContact CB-CE1 4Å; K203-Y212 HydrophobicContact CG-CE1 3.98Å; I210-Y212 HydrophobicContact CG2-CE1 4.28Å; I210-Y212 HydrophobicContact CG2-CE2 3.99Å
213P95.2Very high94.5Very high0 Ų053.4 Ų53.40%025%0.252CS..  trans-65.6161.9175.431.1-38.8000111.6W138 F139 Y140 Q202 K204 I211W138-P213 WeakPolarHBondContact O-CB 3.34Å; W138-P213 VanDerWaalsContact O-CG 3.31Å; W138-P213 WeakPolarHBondContact O-CG 3.49Å; F139-P213 HydrophobicContact CD1-CB 4.18Å; Y140-P213 HydrophobicContact CD2-CB 4.07Å; Y140-P213 HydrophobicContact CE2-CB 4.1Å; Y140-P213 HydrophobicContact CE2-CG 4.14Å; Q202-P213 PolarHBondContact N-O 3.26Å; Q202-P213 VanDerWaalsContact O-CD 3.26Å; Q202-P213 WeakPolarHBondContact O-CD 3.45Å; K204-P213 HydrophobicContact CB-CG 4.48Å; K204-P213 HydrophobicContact CD-CG 3.89Å; K204-P213 HydrophobicContact CG-CG 4.03Å; I211-P213 VanDerWaalsContact C-CD 3.42Å; I211-P213 HydrophobicContact CD1-CG 4.32Å; I211-P213 WeakPolarHBondContact O-CD 3.49Å
214V95.3Very high94.4Very high4 Ų456.7 Ų56.72%0.02427%0.272CS..EExtended strand (participates in β ladder)trans-116.3114178.5178.20000109.4L199 L200 R201 P262 F266L199-V214 HydrophobicContact CB-CG1 3.97Å; L200-V214 CarbonylContact O-C 3.44Å; L200-V214 WeakPolarHBondContact O-CA 3.5Å; R201-V214 HydrophobicContact CB-CG2 4.08Å; R201-V214 HydrophobicContact CG-CG2 4.09Å; V214-P262 HydrophobicContact CB-CB 4.14Å; V214-P262 HydrophobicContact CG1-CB 3.59Å; V214-F266 HydrophobicContact CB-CE2 4.44Å; V214-F266 HydrophobicContact CG1-CD2 4.38Å; V214-F266 HydrophobicContact CG1-CE2 3.63Å; V214-F266 HydrophobicContact CG1-CZ 4.35Å; V214-F266 HydrophobicContact CG2-CD2 4.01Å; V214-F266 HydrophobicContact CG2-CE2 3.87Å
215L94.2Very high94.4Very high26 Ų2659.4 Ų59.414%0.13629%0.286CS..EExtended strand (participates in β ladder)trans-81.4121169.3177.259.5000108.6Y140 L199 L200 L217Y140-L215 HydrophobicContact CD1-CD1 3.88Å; Y140-L215 HydrophobicContact CD2-CB 3.82Å; Y140-L215 HydrophobicContact CD2-CD1 4.33Å; Y140-L215 HydrophobicContact CE1-CD1 4.04Å; Y140-L215 HydrophobicContact CE2-CB 3.57Å; Y140-L215 HydrophobicContact CE2-CD1 4.46Å; Y140-L215 HydrophobicContact CG-CB 4.36Å; Y140-L215 HydrophobicContact CG-CD1 4Å; L199-L215 WeakPolarHBondContact CA-O 3.23Å; L200-L215 HydrophobicContact CB-CB 4.3Å; L200-L215 HydrophobicContact CD1-CD2 4.19Å; L200-L215 PolarHBondContact N-O 3.25Å; L200-L215 PolarHBondContact O-N 2.78Å; L215-L217 HydrophobicContact CD2-CD2 4.31Å; L215-L217 HydrophobicContact CG-CD2 4.35Å
216S94.8Very high94.3Very high6 Ų654.1 Ų54.14%0.04226%0.261CS..EExtended strand (participates in β ladder)trans-94.2126.6167.7-174.10000108.7P157 G158 L199P157-S216 CarbonylContact C-O 3.53Å; P157-S216 WeakPolarHBondContact CA-O 3.4Å; P157-S216 WeakPolarHBondContact CB-O 3.45Å; G158-S216 PolarHBondContact N-O 3.04Å; L199-S216 VanDerWaalsContact CD2-OG 3.29Å; L199-S216 WeakPolarHBondContact CD2-OG 3.27Å
217L94.1Very high94.2Very high4 Ų455.7 Ų55.72%0.02127%0.268CS..BIsolated β-bridgetrans-74155.3165.2-56.4-172000109.9G158 P161 I170 V198 L200 L215 P219G158-L217 CarbonylContact O-C 3.56Å; G158-L217 VanDerWaalsContact O-CA 3.28Å; G158-L217 WeakPolarHBondContact O-CA 3.48Å; P161-L217 HydrophobicContact CG-CD1 4.27Å; I170-L217 HydrophobicContact CG2-CD1 4.41Å; V198-L217 HydrophobicContact CB-CB 4.3Å; V198-L217 HydrophobicContact CB-CD1 3.85Å; V198-L217 HydrophobicContact CB-CG 4.05Å; V198-L217 HydrophobicContact CG1-CD1 4.27Å; V198-L217 HydrophobicContact CG2-CD1 4.25Å; V198-L217 PolarHBondContact O-N 3.04Å; L200-L217 HydrophobicContact CD1-CD2 4.37Å; L200-L217 HydrophobicContact CD1-CG 4.49Å; L215-L217 HydrophobicContact CD2-CD2 4.31Å; L215-L217 HydrophobicContact CG-CD2 4.35Å; L217-P219 WeakPolarHBondContact O-CD 3.37Å
218Y90.4Very high94.2Very high139 Ų13953.8 Ų53.855%0.54526%0.264SS..PPolyproline II helixtrans-63.6122.7179.8-167.5-83.3000108P157 G158 A220P157-Y218 HydrophobicContact CB-CD2 4.15Å; P157-Y218 HydrophobicContact CG-CD2 3.44Å; P157-Y218 VanDerWaalsContact CG-CD2 3.44Å; P157-Y218 HydrophobicContact CG-CE2 4.24Å; P157-Y218 HydrophobicContact CG-CG 4.27Å; G158-Y218 PolarHBondContact O-N 2.98Å; Y218-A220 PolarHBondContact O-N 3.24Å
219P92.6Very high94.3Very high12 Ų1247 Ų478%0.07823%0.228CC..PPolyproline II helixtrans-63.6139.2-177.7-24.837000111.5W182 C196 L217 I256W182-P219 HydrophobicContact CH2-CB 3.85Å; W182-P219 HydrophobicContact CH2-CG 4.25Å; W182-P219 HydrophobicContact CZ2-CB 3.78Å; W182-P219 HydrophobicContact CZ2-CG 3.8Å; C196-P219 CarbonylContact O-C 3.43Å; C196-P219 VanDerWaalsContact O-CA 3.31Å; C196-P219 WeakPolarHBondContact O-CA 3.23Å; L217-P219 WeakPolarHBondContact O-CD 3.37Å; P219-I256 HydrophobicContact CB-CD1 4.49Å; P219-I256 HydrophobicContact CB-CG1 3.75Å; P219-I256 HydrophobicContact CG-CB 4.49Å; P219-I256 HydrophobicContact CG-CG1 3.77Å
220A93.3Very high94.3Very high17 Ų1746.2 Ų46.214%0.1422%0.222CC..EExtended strand (participates in β ladder)trans-118161.9178.800000110.4W160 Y195 C196 Y218 K226W160-A220 HydrophobicContact CD2-CB 3.86Å; W160-A220 HydrophobicContact CE3-CB 3.9Å; W160-A220 HydrophobicContact CG-CB 4.23Å; W160-A220 HydrophobicContact CZ3-CB 4.34Å; Y195-A220 CarbonylContact C-O 3.6Å; Y195-A220 VanDerWaalsContact CA-O 3.29Å; Y195-A220 WeakPolarHBondContact CA-O 3.19Å; C196-A220 PolarHBondContact N-O 2.81Å; C196-A220 PolarHBondContact O-N 3.1Å; Y218-A220 PolarHBondContact O-N 3.24Å; A220-K226 HydrophobicContact CB-CD 4.01Å; A220-K226 VanDerWaalsContact CB-CE 3.48Å
221R93.7Very high94.1Very high128 Ų12847.6 Ų47.648%0.48323%0.227SC..EExtended strand (participates in β ladder)trans-67.1137.2165.4-81-173.4161.8-164.2-7.7109.1Y195 K226Y195-R221 HydrophobicContact CD1-CG 4.2Å; Y195-R221 HydrophobicContact CE1-CG 3.7Å; Y195-R221 HydrophobicContact CE2-CG 4.13Å; Y195-R221 PolarHBondContact OH-NE 3.25Å; R221-K226 VanDerWaalsContact O-CD 3.25Å; R221-K226 WeakPolarHBondContact O-CD 3.34Å; R221-K226 WeakPolarHBondContact O-CE 2.94Å
222M94.8Very high93.8Very high28 Ų2850.1 Ų50.114%0.13824%0.239CC..  trans-67.9137174.5-171.863.795.300109.7H183 E194 C196 K226 F230 W273H183-M222 HydrophobicContact CB-CE 3.82Å; E194-M222 HydrophobicContact CB-CB 3.9Å; E194-M222 HydrophobicContact CG-CB 3.67Å; E194-M222 HydrophobicContact CG-CG 4.22Å; E194-M222 PolarHBondContact O-N 3.16Å; C196-M222 HydrophobicContact CB-CB 4.48Å; C196-M222 HydrophobicContact CB-CE 3.51Å; C196-M222 HydrophobicContact CB-SD 3.92Å; M222-K226 HydrophobicContact SD-CB 4.02Å; M222-F230 HydrophobicContact CE-CD2 4.06Å; M222-F230 HydrophobicContact CE-CE2 4.19Å; M222-W273 HydrophobicContact CE-CH2 3.66Å; M222-W273 HydrophobicContact CE-CZ2 3.98Å; M222-W273 HydrophobicContact CE-CZ3 4.5Å
223D94.4Very high93.5Very high65 Ų6545.9 Ų45.935%0.34822%0.223SC..  trans-145.2175.2171.458.935.5000109.6E225 K226 E227D223-E225 PolarHBondContact O-N 2.92Å; D223-E225 WeakPolarHBondContact OD1-CB 3.21Å; D223-E225 PolarHBondContact OD1-N 3.28Å; D223-E225 VanDerWaalsContact OD1-N 3.16Å; D223-K226 PolarHBondContact O-N 3.42Å; D223-K226 VanDerWaalsContact OD1-CG 3.31Å; D223-K226 WeakPolarHBondContact OD1-CG 3.48Å; D223-K226 PolarHBondContact OD1-N 2.66Å; D223-K226 IonicContact OD1-NZ 3.88Å; D223-K226 PolarHBondContact OD1-NZ 3.18Å; D223-K226 IonicContact OD2-NZ 3.05Å; D223-K226 PolarHBondContact OD2-NZ 3.27Å; D223-E227 WeakPolarHBondContact O-CB 3.31Å; D223-E227 PolarHBondContact O-N 3.21Å
224I94.2Very high93Very high161 Ų16152.5 Ų52.583%0.82625%0.248SC*.Hα-helixtrans-62.5-27.8-175.7-158.4164.4000113G228I224-G228 PolarHBondContact O-N 3.41Å
225E94.6Very high92.6Very high103 Ų10360.4 Ų60.448%0.48128%0.282SS..Hα-helixtrans-72.1-50.1178.5177.1176.5-158.400110.2D223 E227 G228 W229D223-E225 PolarHBondContact O-N 2.92Å; D223-E225 WeakPolarHBondContact OD1-CB 3.21Å; D223-E225 PolarHBondContact OD1-N 3.28Å; D223-E225 VanDerWaalsContact OD1-N 3.16Å; E225-E227 VanDerWaalsContact C-N 3.31Å; E225-E227 PolarHBondContact O-N 2.7Å; E225-G228 WeakPolarHBondContact O-CA 3.45Å; E225-G228 PolarHBondContact O-N 3.17Å; E225-G228 VanDerWaalsContact O-N 3.08Å; E225-W229 HydrophobicContact CG-CZ2 3.87Å; E225-W229 VanDerWaalsContact CG-NE1 3.3Å; E225-W229 PolarHBondContact O-N 3.41Å; E225-W229 VanDerWaalsContact OE1-CZ2 3.24Å; E225-W229 WeakPolarHBondContact OE1-CZ2 2.93Å
226K94.7Very high91.9Very high24 Ų2462.3 Ų62.310%0.10429%0.292CS..Hα-helixtrans-65.6-35.1179.6-64.2173.4-174.356.40112.2W160 A220 R221 M222 D223 G228 W229 F230W160-K226 HydrophobicContact CH2-CD 4.27Å; W160-K226 HydrophobicContact CH2-CG 4.47Å; W160-K226 HydrophobicContact CZ2-CB 4.05Å; W160-K226 HydrophobicContact CZ2-CD 3.6Å; W160-K226 HydrophobicContact CZ2-CG 3.54Å; A220-K226 HydrophobicContact CB-CD 4.01Å; A220-K226 VanDerWaalsContact CB-CE 3.48Å; R221-K226 VanDerWaalsContact O-CD 3.25Å; R221-K226 WeakPolarHBondContact O-CD 3.34Å; R221-K226 WeakPolarHBondContact O-CE 2.94Å; M222-K226 HydrophobicContact SD-CB 4.02Å; D223-K226 PolarHBondContact O-N 3.42Å; D223-K226 VanDerWaalsContact OD1-CG 3.31Å; D223-K226 WeakPolarHBondContact OD1-CG 3.48Å; D223-K226 PolarHBondContact OD1-N 2.66Å; D223-K226 IonicContact OD1-NZ 3.88Å; D223-K226 PolarHBondContact OD1-NZ 3.18Å; D223-K226 IonicContact OD2-NZ 3.05Å; D223-K226 PolarHBondContact OD2-NZ 3.27Å; K226-G228 VanDerWaalsContact C-N 3.34Å; K226-W229 WeakPolarHBondContact O-CB 3.49Å; K226-W229 PolarHBondContact O-N 3.12Å; K226-F230 PolarHBondContact O-N 3.44Å
227E93.3Very high90.6Very high52 Ų5262.8 Ų62.824%0.24330%0.295CS..Hα-helixtrans-56.1-49.7169.5179.656.9-145.200110.9D223 E225 W229 F230 Q231 W273D223-E227 WeakPolarHBondContact O-CB 3.31Å; D223-E227 PolarHBondContact O-N 3.21Å; E225-E227 VanDerWaalsContact C-N 3.31Å; E225-E227 PolarHBondContact O-N 2.7Å; E227-W229 VanDerWaalsContact C-N 3.31Å; E227-W229 PolarHBondContact O-N 2.91Å; E227-F230 PolarHBondContact O-N 2.92Å; E227-Q231 WeakPolarHBondContact O-CG 3.37Å; E227-Q231 PolarHBondContact O-N 3.38Å; E227-Q231 PolarHBondContact OE1-NE2 3.4Å; E227-W273 WeakPolarHBondContact OE2-CH2 3.39Å; E227-W273 WeakPolarHBondContact OE2-CZ2 3.47Å
228G93.8Very high89.5Confident28 Ų2868.1 Ų68.129%0.28933%0.33SS..Hα-helixtrans-59-39.8175.300000113I224 E225 K226 Q231 M232I224-G228 PolarHBondContact O-N 3.41Å; E225-G228 WeakPolarHBondContact O-CA 3.45Å; E225-G228 PolarHBondContact O-N 3.17Å; E225-G228 VanDerWaalsContact O-N 3.08Å; K226-G228 VanDerWaalsContact C-N 3.34Å; G228-Q231 PolarHBondContact O-N 2.98Å; G228-M232 WeakPolarHBondContact O-CB 3.35Å; G228-M232 PolarHBondContact O-N 3.38Å
229W94.8Very high89.1Confident8 Ų868.8 Ų68.83%0.0334%0.343CS..Hα-helixtrans-65.2-41.2176.8-63.79.3000111.8W160 P161 Q164 F167 E225 K226 E227 M232 A233W160-W229 HydrophobicContact CZ2-CE3 4.22Å; W160-W229 HydrophobicContact CZ2-CZ3 4.41Å; W160-W229 AromaticContact NE1-CE3 3.95Å; W160-W229 AromaticContact NE1-CZ3 3.29Å; W160-W229 VanDerWaalsContact NE1-CZ3 3.29Å; P161-W229 HydrophobicContact CB-CZ3 4.26Å; P161-W229 VanDerWaalsContact O-CH2 3.3Å; P161-W229 WeakPolarHBondContact O-CH2 3.39Å; P161-W229 WeakPolarHBondContact O-CZ3 3.04Å; Q164-W229 HydrophobicContact CB-CD2 4.41Å; Q164-W229 HydrophobicContact CB-CZ2 4.22Å; Q164-W229 HydrophobicContact CG-CD2 4.48Å; Q164-W229 HydrophobicContact CG-CG 4.12Å; F167-W229 HydrophobicContact CB-CD2 4.39Å; F167-W229 HydrophobicContact CB-CE3 3.76Å; F167-W229 HydrophobicContact CB-CZ3 4.04Å; F167-W229 HydrophobicContact CD1-CB 3.91Å; F167-W229 HydrophobicContact CD1-CE3 4.3Å; F167-W229 HydrophobicContact CD1-CG 4.47Å; F167-W229 AromaticContact CD2-CE3 3.75Å; F167-W229 HydrophobicContact CD2-CE3 3.75Å; F167-W229 HydrophobicContact CD2-CZ3 4.3Å; F167-W229 HydrophobicContact CE1-CB 3.84Å; F167-W229 WeakPolarHBondContact CE1-O 3.24Å; F167-W229 HydrophobicContact CE2-CE3 4.44Å; F167-W229 HydrophobicContact CG-CB 4.44Å; F167-W229 HydrophobicContact CG-CD2 4.35Å; F167-W229 AromaticContact CG-CE3 3.69Å; F167-W229 HydrophobicContact CG-CE3 3.69Å; F167-W229 HydrophobicContact CG-CZ3 4.35Å; F167-W229 HydrophobicContact CZ-CB 4.35Å; E225-W229 HydrophobicContact CG-CZ2 3.87Å; E225-W229 VanDerWaalsContact CG-NE1 3.3Å; E225-W229 PolarHBondContact O-N 3.41Å; E225-W229 VanDerWaalsContact OE1-CZ2 3.24Å; E225-W229 WeakPolarHBondContact OE1-CZ2 2.93Å; K226-W229 WeakPolarHBondContact O-CB 3.49Å; K226-W229 PolarHBondContact O-N 3.12Å; E227-W229 VanDerWaalsContact C-N 3.31Å; E227-W229 PolarHBondContact O-N 2.91Å; W229-M232 WeakPolarHBondContact O-CB 3.38Å; W229-M232 PolarHBondContact O-N 3.26Å; W229-A233 PolarHBondContact O-N 2.82Å
230F93.6Very high89Confident1 Ų169.5 Ų69.50%0.00435%0.346CS..Hα-helixtrans-66.9-41.7178.4-80.112.6000111.6W160 F167 L181 C196 G197 V198 M222 K226 E227 M232 A233 R234 W273W160-F230 AromaticContact CH2-CE1 3.68Å; W160-F230 HydrophobicContact CH2-CE1 3.68Å; W160-F230 AromaticContact CH2-CZ 3.84Å; W160-F230 HydrophobicContact CH2-CZ 3.84Å; W160-F230 HydrophobicContact CZ2-CE1 4.37Å; F167-F230 HydrophobicContact CE1-CD1 4.46Å; F167-F230 HydrophobicContact CE2-CD1 4.31Å; F167-F230 AromaticContact CE2-CE1 3.97Å; F167-F230 HydrophobicContact CE2-CE1 3.97Å; F167-F230 AromaticContact CZ-CD1 3.68Å; F167-F230 HydrophobicContact CZ-CD1 3.68Å; F167-F230 AromaticContact CZ-CE1 3.75Å; F167-F230 HydrophobicContact CZ-CE1 3.75Å; L181-F230 HydrophobicContact CB-CD2 4.13Å; L181-F230 HydrophobicContact CB-CE2 4.04Å; L181-F230 HydrophobicContact CB-CG 4.39Å; L181-F230 HydrophobicContact CB-CZ 4.31Å; L181-F230 HydrophobicContact CD1-CB 4.16Å; L181-F230 HydrophobicContact CD1-CD1 4.31Å; L181-F230 HydrophobicContact CD1-CG 4.14Å; L181-F230 HydrophobicContact CD2-CD1 4.22Å; L181-F230 HydrophobicContact CD2-CE1 4.05Å; L181-F230 HydrophobicContact CD2-CZ 4.34Å; C196-F230 HydrophobicContact CB-CE2 3.77Å; C196-F230 HydrophobicContact CB-CZ 4.02Å; G197-F230 WeakPolarHBondContact O-CZ 3.33Å; V198-F230 HydrophobicContact CG2-CE1 3.68Å; V198-F230 HydrophobicContact CG2-CZ 3.85Å; M222-F230 HydrophobicContact CE-CD2 4.06Å; M222-F230 HydrophobicContact CE-CE2 4.19Å; K226-F230 PolarHBondContact O-N 3.44Å; E227-F230 PolarHBondContact O-N 2.92Å; F230-M232 PolarHBondContact O-N 2.87Å; F230-A233 PolarHBondContact O-N 3.21Å; F230-R234 WeakPolarHBondContact O-CG 3.28Å; F230-R234 PolarHBondContact O-N 3.18Å; F230-W273 HydrophobicContact CB-CH2 4.26Å; F230-W273 HydrophobicContact CB-CZ3 4.01Å; F230-W273 AromaticContact CD2-CH2 3.8Å; F230-W273 HydrophobicContact CD2-CH2 3.8Å; F230-W273 AromaticContact CD2-CZ3 3.46Å; F230-W273 HydrophobicContact CD2-CZ3 3.46Å; F230-W273 VanDerWaalsContact CD2-CZ3 3.46Å; F230-W273 HydrophobicContact CE2-CZ3 4.37Å; F230-W273 HydrophobicContact CG-CZ3 4.23Å
231Q90.8Very high88.9Confident100 Ų10072.4 Ų72.447%0.46736%0.363SS..Hα-helixtrans-61.1-34.8172.6-69.2178.311.900112.5E227 G228E227-Q231 WeakPolarHBondContact O-CG 3.37Å; E227-Q231 PolarHBondContact O-N 3.38Å; E227-Q231 PolarHBondContact OE1-NE2 3.4Å; G228-Q231 PolarHBondContact O-N 2.98Å
232M90.3Very high88.9Confident56 Ų5667.8 Ų67.828%0.27635%0.349SS..Hα-helixtrans-72.4-45.9176-175.8-178.5-6000112.6Q164 C168 G228 W229 F230 R234 K235 I236Q164-M232 HydrophobicContact CG-CE 4.19Å; Q164-M232 HydrophobicContact CG-SD 4.02Å; Q164-M232 PolarHBondContact NE2-SD 3.22Å; Q164-M232 VanDerWaalsContact NE2-SD 3.43Å; C168-M232 PolarHBondContact SG-SD 3.5Å; G228-M232 WeakPolarHBondContact O-CB 3.35Å; G228-M232 PolarHBondContact O-N 3.38Å; W229-M232 WeakPolarHBondContact O-CB 3.38Å; W229-M232 PolarHBondContact O-N 3.26Å; F230-M232 PolarHBondContact O-N 2.87Å; M232-R234 PolarHBondContact O-N 2.7Å; M232-K235 WeakPolarHBondContact O-CA 3.41Å; M232-K235 WeakPolarHBondContact O-CB 3.06Å; M232-K235 PolarHBondContact O-N 3.48Å; M232-I236 HydrophobicContact CG-CD1 3.44Å; M232-I236 VanDerWaalsContact CG-CD1 3.44Å; M232-I236 HydrophobicContact CG-CG1 3.97Å; M232-I236 WeakPolarHBondContact O-CG1 3.3Å; M232-I236 PolarHBondContact O-N 3.01Å; M232-I236 VanDerWaalsContact O-N 3.13Å; M232-I236 HydrophobicContact SD-CD1 3.77Å
233A90.1Very high88.8Confident1 Ų170.5 Ų70.51%0.00836%0.358CS..Hα-helixtrans-56.4-37.6178.600000112.3F167 I171 L181 W229 F230 K235 I236F167-A233 HydrophobicContact CE1-CB 3.78Å; F167-A233 HydrophobicContact CZ-CB 4.31Å; I171-A233 HydrophobicContact CG1-CB 4.16Å; I171-A233 HydrophobicContact CG2-CB 4.01Å; L181-A233 HydrophobicContact CD1-CB 3.94Å; W229-A233 PolarHBondContact O-N 2.82Å; F230-A233 PolarHBondContact O-N 3.21Å; A233-K235 PolarHBondContact O-N 3.19Å; A233-K235 VanDerWaalsContact O-N 3.15Å; A233-I236 PolarHBondContact O-N 2.82Å
234R85.3Confident88.8Confident140 Ų14068 Ų6853%0.52835%0.347SS..Hα-helixtrans-62.3-17.5174.5-67.8174.574.7167.95.1113.7L181 F230 M232 V242L181-R234 HydrophobicContact CD1-CG 4.22Å; F230-R234 WeakPolarHBondContact O-CG 3.28Å; F230-R234 PolarHBondContact O-N 3.18Å; M232-R234 PolarHBondContact O-N 2.7Å; R234-V242 HydrophobicContact CG-CG1 4.3Å
235K86.1Confident88.9Confident170 Ų17060.7 Ų60.774%0.73931%0.309SS*.Hα-helixtrans-102.9-26.9-179.1-63.4175.3-1761750113.8M232 A233M232-K235 WeakPolarHBondContact O-CA 3.41Å; M232-K235 WeakPolarHBondContact O-CB 3.06Å; M232-K235 PolarHBondContact O-N 3.48Å; A233-K235 PolarHBondContact O-N 3.19Å; A233-K235 VanDerWaalsContact O-N 3.15Å
236I80.6Confident89Confident65 Ų6557.9 Ų57.933%0.33330%0.299SS..Hα-helixtrans-77.6-34.9-170.3-71.7173.2000113C168 S172 M232 A233 P238C168-I236 HydrophobicContact CB-CD1 3.95Å; C168-I236 WeakPolarHBondContact SG-CD1 3.37Å; S172-I236 VanDerWaalsContact OG-CG2 3.24Å; S172-I236 WeakPolarHBondContact OG-CG2 3.13Å; M232-I236 HydrophobicContact CG-CD1 3.44Å; M232-I236 VanDerWaalsContact CG-CD1 3.44Å; M232-I236 HydrophobicContact CG-CG1 3.97Å; M232-I236 WeakPolarHBondContact O-CG1 3.3Å; M232-I236 PolarHBondContact O-N 3.01Å; M232-I236 VanDerWaalsContact O-N 3.13Å; M232-I236 HydrophobicContact SD-CD1 3.77Å; A233-I236 PolarHBondContact O-N 2.82Å; I236-P238 VanDerWaalsContact C-CD 3.49Å; I236-P238 WeakPolarHBondContact O-CD 3.13Å
237S67.4Low89.1Confident16 Ų1657 Ų5711%0.11230%0.296CS..  trans-113.278.9-169.7-63.50000111.9D239 I240S237-D239 PolarHBondContact O-N 3.45Å; S237-I240 PolarHBondContact O-N 2.97Å; S237-I240 VanDerWaalsContact O-O 3.05Å
238P70.8Confident89.2Confident116 Ų11657.8 Ų57.875%0.75330%0.304SS*.THydrogen-bonded Turntrans-64.1-27.117826.5-33.8000112.8I236I236-P238 VanDerWaalsContact C-CD 3.49Å; I236-P238 WeakPolarHBondContact O-CD 3.13Å
239D83Confident89.1Confident153 Ų15360.1 Ų60.182%0.81831%0.314SS*.THydrogen-bonded Turntrans-88.9-14.4-175.9-58.6-37.9000113.8S237S237-D239 PolarHBondContact O-N 3.45Å
240I89.1Confident89Confident28 Ų2861.9 Ų61.914%0.14433%0.33CS..SBendtrans-111.6120.9-178.5-52174.9000107.8N176 I179 S237 V242N176-I240 HydrophobicContact CB-CD1 4.13Å; N176-I240 HydrophobicContact CB-CG2 4.42Å; I179-I240 HydrophobicContact CD1-CG2 4.08Å; I179-I240 HydrophobicContact CG1-CG2 4.1Å; S237-I240 PolarHBondContact O-N 2.97Å; S237-I240 VanDerWaalsContact O-O 3.05Å; I240-V242 WeakPolarHBondContact O-CG2 3.25Å; I240-V242 PolarHBondContact O-N 2.81Å; I240-V242 VanDerWaalsContact O-N 3.11Å
241P91.6Very high89Confident77 Ų7764 Ų6450%0.534%0.34SS..  trans-55.2119.4173.5-25.334000111.4M177 I179M177-P241 WeakPolarHBondContact O-CD 3.23Å; I179-P241 PolarHBondContact N-O 3.27Å
242V93.3Very high89.2Confident32 Ų3259.3 Ų59.319%0.19432%0.318CS..EExtended strand (participates in β ladder)trans-116.5114.9173.1-175.40000108.8I179 L181 R234 I240I179-V242 HydrophobicContact CB-CG1 4.49Å; I179-V242 HydrophobicContact CB-CG2 4.28Å; I179-V242 HydrophobicContact CD1-CG2 4.38Å; I179-V242 HydrophobicContact CG2-CG1 4.33Å; I179-V242 WeakPolarHBondContact O-CA 3.27Å; L181-V242 HydrophobicContact CD1-CG1 3.67Å; L181-V242 HydrophobicContact CG-CG1 3.85Å; R234-V242 HydrophobicContact CG-CG1 4.3Å; I240-V242 WeakPolarHBondContact O-CG2 3.25Å; I240-V242 PolarHBondContact O-N 2.81Å; I240-V242 VanDerWaalsContact O-N 3.11Å
243R93.4Very high89.3Confident85 Ų8559.3 Ų59.332%0.32132%0.318SS..EExtended strand (participates in β ladder)trans-104.7128.6177.7-66-178.5-74.5157.9-7.4110.2D178 I179 I180 L181 V245 F266D178-R243 IonicContact OD1-NE 3.51Å; D178-R243 IonicContact OD1-NH2 3.65Å; D178-R243 IonicContact OD2-CZ 3.68Å; D178-R243 IonicContact OD2-NE 3.85Å; D178-R243 IonicContact OD2-NH2 2.79Å; D178-R243 PolarHBondContact OD2-NH2 3.15Å; I179-R243 PolarHBondContact O-N 3.36Å; I180-R243 WeakPolarHBondContact CA-O 3.5Å; L181-R243 PolarHBondContact N-O 3.16Å; R243-V245 HydrophobicContact CB-CG1 4.24Å; R243-F266 VanDerWaalsContact NH2-CD1 3.35Å
244A94.4Very high89.4Confident13 Ų1364.1 Ų64.111%0.10734%0.336CS..EExtended strand (participates in β ladder)trans-99.2120.4171.900000108.1L181 W273L181-A244 CarbonylContact O-C 3.41Å; L181-A244 WeakPolarHBondContact O-CA 3.32Å; A244-W273 HydrophobicContact CB-CB 4.05Å; A244-W273 HydrophobicContact CB-CE3 3.86Å; A244-W273 PolarHBondContact O-N 3.2Å
245V96.5Very high89.7Confident7 Ų757.7 Ų57.74%0.04231%0.312CS..EExtended strand (participates in β ladder)trans-137.1147.7-170.8-570000113.3I180 L181 W182 H183 R243 L247 L270 S271I180-V245 HydrophobicContact CG2-CG2 3.43Å; I180-V245 VanDerWaalsContact CG2-CG2 3.43Å; L181-V245 PolarHBondContact O-N 3.44Å; W182-V245 VanDerWaalsContact CA-O 3.3Å; W182-V245 WeakPolarHBondContact CA-O 3.41Å; W182-V245 HydrophobicContact CB-CG2 3.72Å; H183-V245 PolarHBondContact CD2-O 3.44Å; H183-V245 VanDerWaalsContact CD2-O 3.23Å; H183-V245 PolarHBondContact N-O 3.06Å; H183-V245 VanDerWaalsContact N-O 3.09Å; R243-V245 HydrophobicContact CB-CG1 4.24Å; V245-L247 HydrophobicContact CG2-CD2 4.3Å; V245-L270 HydrophobicContact CB-CB 4.07Å; V245-L270 HydrophobicContact CB-CD1 4.32Å; V245-L270 HydrophobicContact CG1-CB 3.95Å; V245-L270 HydrophobicContact CG1-CD1 4.22Å; V245-L270 HydrophobicContact CG2-CB 4.5Å; V245-L270 HydrophobicContact CG2-CD1 3.9Å; V245-S271 CarbonylContact C-O 3.52Å; V245-S271 WeakPolarHBondContact CA-O 3.36Å; V245-S271 VanDerWaalsContact CB-O 3.31Å; V245-S271 WeakPolarHBondContact CB-O 3.45Å
246T96.8Very high89.9Confident44 Ų4451.6 Ų51.627%0.2729%0.287SS..EExtended strand (participates in β ladder)trans-95119.2168.2-47.70000109.6H183 S271H183-T246 PolarHBondContact CE1-OG1 2.87Å; H183-T246 WeakPolarHBondContact NE2-CB 3.29Å; H183-T246 PolarHBondContact NE2-OG1 3.28Å; T246-S271 PolarHBondContact N-O 3.42Å
247L96.4Very high90.3Very high5 Ų551 Ų513%0.02629%0.287CS..PPolyproline II helixtrans-84144.6172.2-64.4-175.2000110.8W182 H183 V245 Q251 A252 L255 L265 L270W182-L247 HydrophobicContact CB-CD1 3.95Å; W182-L247 HydrophobicContact CB-CG 3.89Å; W182-L247 HydrophobicContact CD2-CD1 3.59Å; W182-L247 HydrophobicContact CD2-CG 4.33Å; W182-L247 HydrophobicContact CE3-CD1 3.69Å; W182-L247 HydrophobicContact CE3-CG 4.24Å; W182-L247 HydrophobicContact CG-CD1 3.72Å; W182-L247 HydrophobicContact CG-CG 4.22Å; W182-L247 HydrophobicContact CZ3-CD1 4.45Å; H183-L247 PolarHBondContact O-N 3.02Å; V245-L247 HydrophobicContact CG2-CD2 4.3Å; L247-Q251 HydrophobicContact CB-CB 4.05Å; L247-Q251 HydrophobicContact CD1-CB 4.45Å; L247-Q251 HydrophobicContact CD2-CB 4.35Å; L247-A252 HydrophobicContact CB-CB 4.11Å; L247-A252 HydrophobicContact CD1-CB 4.48Å; L247-L255 HydrophobicContact CD1-CD2 4.28Å; L247-L265 HydrophobicContact CD1-CD1 4.12Å; L247-L265 HydrophobicContact CD2-CD1 4.5Å; L247-L265 HydrophobicContact CD2-CD2 4.24Å; L247-L270 HydrophobicContact CD2-CD1 4.2Å; L247-L270 HydrophobicContact CD2-CD2 3.75Å
248T94.5Very high91.4Very high68 Ų6850.4 Ų50.442%0.41728%0.284SS..PPolyproline II helixtrans-61.3155.6166.562.30000110.4A250 Q251 A252T248-A250 PolarHBondContact O-N 2.87Å; T248-Q251 PolarHBondContact O-N 3.5Å; T248-Q251 VanDerWaalsContact O-N 3.12Å; T248-Q251 WeakPolarHBondContact OG1-CB 3.36Å; T248-Q251 VanDerWaalsContact OG1-CG 3.23Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.12Å; T248-Q251 PolarHBondContact OG1-N 3.46Å; T248-Q251 PolarHBondContact OG1-OE1 2.91Å; T248-A252 PolarHBondContact O-N 3.21Å
249P93.4Very high92.3Very high78 Ų7848.2 Ų48.251%0.50626%0.262SS..Hα-helixtrans-50.7-43.4177.2-30.536.7000113.2F185 A252 E253F185-P249 WeakPolarHBondContact O-CB 3.25Å; P249-A252 PolarHBondContact O-N 3Å; P249-E253 VanDerWaalsContact O-CB 3.27Å; P249-E253 WeakPolarHBondContact O-CB 3.24Å; P249-E253 PolarHBondContact O-N 3.39Å
250A91.9Very high92.7Very high44 Ų4443 Ų4336%0.36423%0.234SC..Hα-helixtrans-65.3-4517900000112.8T248 E253 Y254T248-A250 PolarHBondContact O-N 2.87Å; A250-E253 PolarHBondContact O-N 3.27Å; A250-Y254 VanDerWaalsContact O-CB 3.27Å; A250-Y254 WeakPolarHBondContact O-CB 3.45Å; A250-Y254 WeakPolarHBondContact O-CD1 3.14Å; A250-Y254 PolarHBondContact O-N 3.02Å
251Q94.1Very high92.8Very high47 Ų4741.9 Ų41.922%0.2223%0.228CC..Hα-helixtrans-61.7-45.6177.2-74.7164.6-3000111.5L247 T248 Y254 L255 L265L247-Q251 HydrophobicContact CB-CB 4.05Å; L247-Q251 HydrophobicContact CD1-CB 4.45Å; L247-Q251 HydrophobicContact CD2-CB 4.35Å; T248-Q251 PolarHBondContact O-N 3.5Å; T248-Q251 VanDerWaalsContact O-N 3.12Å; T248-Q251 WeakPolarHBondContact OG1-CB 3.36Å; T248-Q251 VanDerWaalsContact OG1-CG 3.23Å; T248-Q251 WeakPolarHBondContact OG1-CG 3.12Å; T248-Q251 PolarHBondContact OG1-N 3.46Å; T248-Q251 PolarHBondContact OG1-OE1 2.91Å; Q251-Y254 PolarHBondContact O-N 2.89Å; Q251-L255 WeakPolarHBondContact O-CB 3.46Å; Q251-L255 PolarHBondContact O-N 3.25Å; Q251-L265 HydrophobicContact CB-CD2 4.36Å; Q251-L265 HydrophobicContact CG-CD2 4.25Å
252A94Very high92.9Very high0 Ų038.4 Ų38.40%021%0.205CC..Hα-helixtrans-64-46.7177.600000111.3W182 P186 L247 T248 P249 Y254 L255 I256W182-A252 HydrophobicContact CZ3-CB 4.11Å; P186-A252 HydrophobicContact CB-CB 3.87Å; P186-A252 HydrophobicContact CG-CB 4.47Å; L247-A252 HydrophobicContact CB-CB 4.11Å; L247-A252 HydrophobicContact CD1-CB 4.48Å; T248-A252 PolarHBondContact O-N 3.21Å; P249-A252 PolarHBondContact O-N 3Å; A252-Y254 VanDerWaalsContact C-N 3.34Å; A252-Y254 PolarHBondContact O-N 3.21Å; A252-L255 PolarHBondContact O-N 3.21Å; A252-I256 WeakPolarHBondContact O-CB 3.44Å; A252-I256 WeakPolarHBondContact O-CD1 3.44Å; A252-I256 WeakPolarHBondContact O-CG1 3.4Å; A252-I256 PolarHBondContact O-N 2.82Å
253E93Very high93Very high57 Ų5737.1 Ų37.127%0.26620%0.198SC..Hα-helixtrans-58.4-47177.2-170.6-149.6134.400110.8P186 F187 P249 A250 L255 I256 T257 K259P186-E253 HydrophobicContact CB-CB 4.1Å; F187-E253 HydrophobicContact CD1-CG 4.39Å; F187-E253 HydrophobicContact CE1-CG 3.8Å; P249-E253 VanDerWaalsContact O-CB 3.27Å; P249-E253 WeakPolarHBondContact O-CB 3.24Å; P249-E253 PolarHBondContact O-N 3.39Å; A250-E253 PolarHBondContact O-N 3.27Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 3.24Å; E253-I256 PolarHBondContact O-N 3.06Å; E253-T257 HydrophobicContact CG-CG2 4.32Å; E253-T257 WeakPolarHBondContact O-CB 3.33Å; E253-T257 WeakPolarHBondContact O-CG2 3.2Å; E253-T257 PolarHBondContact O-N 3.01Å; E253-T257 PolarHBondContact O-OG1 3.29Å; E253-K259 IonicContact OE1-NZ 2.69Å; E253-K259 PolarHBondContact OE1-NZ 2.94Å
254Y91.9Very high93Very high101 Ų10135 Ų3540%0.39620%0.198SC..Hα-helixtrans-67.8-36-177-70.90.7000112.4A250 Q251 A252 G258 K259 I260A250-Y254 VanDerWaalsContact O-CB 3.27Å; A250-Y254 WeakPolarHBondContact O-CB 3.45Å; A250-Y254 WeakPolarHBondContact O-CD1 3.14Å; A250-Y254 PolarHBondContact O-N 3.02Å; Q251-Y254 PolarHBondContact O-N 2.89Å; A252-Y254 VanDerWaalsContact C-N 3.34Å; A252-Y254 PolarHBondContact O-N 3.21Å; Y254-G258 CarbonylContact O-C 3.59Å; Y254-G258 PolarHBondContact O-N 2.92Å; Y254-G258 VanDerWaalsContact O-N 3.14Å; Y254-K259 HydrophobicContact CD1-CB 4.41Å; Y254-K259 HydrophobicContact CD1-CD 3.56Å; Y254-K259 HydrophobicContact CE1-CD 3.98Å; Y254-K259 HydrophobicContact CG-CB 4.24Å; Y254-K259 HydrophobicContact CG-CD 4.23Å; Y254-K259 PolarHBondContact O-N 2.96Å; Y254-I260 HydrophobicContact CD2-CG2 4.02Å; Y254-I260 HydrophobicContact CG-CG2 4.39Å
255L92Very high93Very high5 Ų534.6 Ų34.63%0.02619%0.194CC..Hα-helixtrans-67.9-46.3173.9-172.966.5000111.2L154 W182 L199 L247 Q251 A252 E253 T257 G258 I260 P262 L265L154-L255 HydrophobicContact CD1-CD1 4.46Å; W182-L255 HydrophobicContact CD2-CD2 4.31Å; W182-L255 VanDerWaalsContact CE2-CD2 3.46Å; W182-L255 HydrophobicContact CZ2-CD2 3.65Å; W182-L255 HydrophobicContact CZ2-CG 4.49Å; W182-L255 VanDerWaalsContact NE1-CD2 3.26Å; L199-L255 HydrophobicContact CD1-CD2 4.37Å; L199-L255 HydrophobicContact CD2-CD1 4.25Å; L199-L255 HydrophobicContact CD2-CD2 4.04Å; L247-L255 HydrophobicContact CD1-CD2 4.28Å; Q251-L255 WeakPolarHBondContact O-CB 3.46Å; Q251-L255 PolarHBondContact O-N 3.25Å; A252-L255 PolarHBondContact O-N 3.21Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 3.24Å; L255-T257 PolarHBondContact O-N 3.32Å; L255-G258 PolarHBondContact O-N 2.78Å; L255-I260 HydrophobicContact CB-CD1 4.46Å; L255-P262 HydrophobicContact CD1-CB 4.17Å; L255-P262 HydrophobicContact CD1-CG 3.98Å; L255-L265 HydrophobicContact CD1-CD1 4.2Å; L255-L265 HydrophobicContact CD2-CD1 3.83Å; L255-L265 HydrophobicContact CG-CD1 4.44Å
256I90.9Very high92.9Very high43 Ų4335.5 Ų35.522%0.22120%0.198CC..Hα-helixtrans-62.3-43.5179.2-69.7164.9000111.8W182 P186 F187 Y195 P219 A252 E253 G258W182-I256 HydrophobicContact CH2-CD1 4.05Å; W182-I256 HydrophobicContact CH2-CG1 3.95Å; P186-I256 HydrophobicContact CB-CD1 3.84Å; P186-I256 HydrophobicContact CG-CD1 3.51Å; F187-I256 HydrophobicContact CE2-CD1 4.28Å; F187-I256 HydrophobicContact CE2-CG2 4.37Å; F187-I256 HydrophobicContact CZ-CD1 4.5Å; F187-I256 HydrophobicContact CZ-CG2 4.02Å; Y195-I256 HydrophobicContact CD1-CD1 4.2Å; Y195-I256 HydrophobicContact CG-CD1 4.08Å; P219-I256 HydrophobicContact CB-CD1 4.49Å; P219-I256 HydrophobicContact CB-CG1 3.75Å; P219-I256 HydrophobicContact CG-CB 4.49Å; P219-I256 HydrophobicContact CG-CG1 3.77Å; A252-I256 WeakPolarHBondContact O-CB 3.44Å; A252-I256 WeakPolarHBondContact O-CD1 3.44Å; A252-I256 WeakPolarHBondContact O-CG1 3.4Å; A252-I256 PolarHBondContact O-N 2.82Å; E253-I256 PolarHBondContact O-N 3.06Å; I256-G258 PolarHBondContact O-N 2.98Å
257T88.8Confident92.5Very high51 Ų5139.5 Ų39.531%0.31321%0.208SC..THydrogen-bonded Turntrans-82.71.3-179.556.80000113E253 L255 K259E253-T257 HydrophobicContact CG-CG2 4.32Å; E253-T257 WeakPolarHBondContact O-CB 3.33Å; E253-T257 WeakPolarHBondContact O-CG2 3.2Å; E253-T257 PolarHBondContact O-N 3.01Å; E253-T257 PolarHBondContact O-OG1 3.29Å; L255-T257 PolarHBondContact O-N 3.32Å; T257-K259 VanDerWaalsContact C-N 3.27Å; T257-K259 PolarHBondContact O-N 3.37Å; T257-K259 VanDerWaalsContact OG1-CD 3.23Å; T257-K259 WeakPolarHBondContact OG1-CD 3.36Å; T257-K259 WeakPolarHBondContact OG1-CE 3.31Å; T257-K259 VanDerWaalsContact OG1-CG 3.27Å; T257-K259 WeakPolarHBondContact OG1-CG 3.22Å
258G89.3Confident92.1Very high5 Ų542.1 Ų42.15%0.05222%0.224CC..THydrogen-bonded Turntrans73.812.3176.400000115.2Y152 P153 Y254 L255 I256 I260Y152-G258 WeakPolarHBondContact CB-O 3.37Å; P153-G258 WeakPolarHBondContact CD-O 3.48Å; P153-G258 VanDerWaalsContact CG-O 3.32Å; P153-G258 WeakPolarHBondContact CG-O 3.31Å; Y254-G258 CarbonylContact O-C 3.59Å; Y254-G258 PolarHBondContact O-N 2.92Å; Y254-G258 VanDerWaalsContact O-N 3.14Å; L255-G258 PolarHBondContact O-N 2.78Å; I256-G258 PolarHBondContact O-N 2.98Å; G258-I260 VanDerWaalsContact C-N 3.34Å; G258-I260 PolarHBondContact O-N 2.88Å
259K89.3Confident91.9Very high69 Ų6944.9 Ų44.930%0.324%0.243SC..  trans-70.4-24.6-173.3-69.3175.3-178.1172.80114.2Y152 E253 Y254 T257Y152-K259 HydrophobicContact CD1-CB 4.15Å; Y152-K259 HydrophobicContact CD1-CG 3.69Å; Y152-K259 HydrophobicContact CE1-CB 4.32Å; Y152-K259 HydrophobicContact CE1-CD 4.34Å; Y152-K259 HydrophobicContact CE1-CG 3.52Å; Y152-K259 HydrophobicContact CG-CG 4.28Å; E253-K259 IonicContact OE1-NZ 2.69Å; E253-K259 PolarHBondContact OE1-NZ 2.94Å; Y254-K259 HydrophobicContact CD1-CB 4.41Å; Y254-K259 HydrophobicContact CD1-CD 3.56Å; Y254-K259 HydrophobicContact CE1-CD 3.98Å; Y254-K259 HydrophobicContact CG-CB 4.24Å; Y254-K259 HydrophobicContact CG-CD 4.23Å; Y254-K259 PolarHBondContact O-N 2.96Å; T257-K259 VanDerWaalsContact C-N 3.27Å; T257-K259 PolarHBondContact O-N 3.37Å; T257-K259 VanDerWaalsContact OG1-CD 3.23Å; T257-K259 WeakPolarHBondContact OG1-CD 3.36Å; T257-K259 WeakPolarHBondContact OG1-CE 3.31Å; T257-K259 VanDerWaalsContact OG1-CG 3.27Å; T257-K259 WeakPolarHBondContact OG1-CG 3.22Å
260I91.3Very high91.9Very high43 Ų4342.7 Ų42.722%0.22123%0.227CC..SBendtrans-120154.6-17959.7171000111.3Y254 L255 G258 L265Y254-I260 HydrophobicContact CD2-CG2 4.02Å; Y254-I260 HydrophobicContact CG-CG2 4.39Å; L255-I260 HydrophobicContact CB-CD1 4.46Å; G258-I260 VanDerWaalsContact C-N 3.34Å; G258-I260 PolarHBondContact O-N 2.88Å; I260-L265 HydrophobicContact CD1-CD1 4.42Å; I260-L265 HydrophobicContact CD1-CD2 4.35Å; I260-L265 HydrophobicContact CD1-CG 4.3Å
261L92.8Very high91.9Very high5 Ų544.1 Ų44.13%0.02623%0.234CC..  trans-72.3128.2166.9-65.5178.3000109.8H91 A95 L141 P153 T263 A264H91-L261 WeakPolarHBondContact CD2-CD1 3.44Å; H91-L261 WeakPolarHBondContact NE2-CD1 3.19Å; A95-L261 HydrophobicContact CB-CD1 3.5Å; L141-L261 HydrophobicContact CD1-CD2 4.49Å; L141-L261 HydrophobicContact CD2-CD2 3.39Å; P153-L261 HydrophobicContact CB-CD2 3.55Å; P153-L261 HydrophobicContact CB-CG 4.47Å; P153-L261 HydrophobicContact CG-CD2 3.95Å; P153-L261 HydrophobicContact CG-CG 4.41Å; L261-T263 HydrophobicContact CB-CG2 3.94Å; L261-T263 PolarHBondContact O-N 3.45Å; L261-T263 VanDerWaalsContact O-N 3.12Å; L261-A264 VanDerWaalsContact O-CB 3.24Å; L261-A264 WeakPolarHBondContact O-CB 3.46Å; L261-A264 PolarHBondContact O-N 3.15Å
262P93.7Very high91.8Very high4 Ų447.1 Ų47.13%0.02626%0.258CS..G310 helixtrans-56.1-31.5179.8-29.536.7000114.3L154 L199 V214 L255 A264 L265L154-P262 HydrophobicContact CD1-CG 3.76Å; L154-P262 HydrophobicContact CD2-CG 3.92Å; L154-P262 HydrophobicContact CG-CG 4.39Å; L199-P262 HydrophobicContact CD1-CB 4.49Å; L199-P262 HydrophobicContact CD2-CB 4.01Å; V214-P262 HydrophobicContact CB-CB 4.14Å; V214-P262 HydrophobicContact CG1-CB 3.59Å; L255-P262 HydrophobicContact CD1-CB 4.17Å; L255-P262 HydrophobicContact CD1-CG 3.98Å; P262-A264 PolarHBondContact O-N 3.32Å; P262-A264 VanDerWaalsContact O-N 3.16Å; P262-L265 PolarHBondContact O-N 3.22Å; P262-L265 VanDerWaalsContact O-N 3.09Å
263T94.6Very high91.6Very high5 Ų552 Ų523%0.03128%0.276CS..G310 helixtrans-57.9-26.4176.6-172.40000113.2A95 L261 L265 F266A95-T263 HydrophobicContact CB-CG2 3.68Å; A95-T263 WeakPolarHBondContact O-CG2 3.31Å; A95-T263 PolarHBondContact O-OG1 3.42Å; L261-T263 HydrophobicContact CB-CG2 3.94Å; L261-T263 PolarHBondContact O-N 3.45Å; L261-T263 VanDerWaalsContact O-N 3.12Å; T263-L265 PolarHBondContact O-N 3.01Å; T263-F266 WeakPolarHBondContact O-CB 3.25Å; T263-F266 PolarHBondContact O-N 3.24Å; T263-F266 VanDerWaalsContact O-N 3.1Å
264A93Very high91.5Very high40 Ų4051.8 Ų51.833%0.33128%0.277SS..G310 helixtrans-60.1-34.5177.300000112.1L261 P262 F266 R267L261-A264 VanDerWaalsContact O-CB 3.24Å; L261-A264 WeakPolarHBondContact O-CB 3.46Å; L261-A264 PolarHBondContact O-N 3.15Å; P262-A264 PolarHBondContact O-N 3.32Å; P262-A264 VanDerWaalsContact O-N 3.16Å; A264-F266 PolarHBondContact O-N 3.5Å; A264-R267 PolarHBondContact O-N 3.46Å; A264-R267 VanDerWaalsContact O-N 3.13Å
265L94.7Very high91.5Very high5 Ų549.2 Ų49.23%0.02627%0.27CS..G310 helixtrans-69.4-16.6-179.8-65.5174.9000113.1L199 L247 Q251 L255 I260 P262 T263 R267 V268 L270L199-L265 HydrophobicContact CD1-CB 4.08Å; L199-L265 HydrophobicContact CD1-CD1 3.71Å; L247-L265 HydrophobicContact CD1-CD1 4.12Å; L247-L265 HydrophobicContact CD2-CD1 4.5Å; L247-L265 HydrophobicContact CD2-CD2 4.24Å; Q251-L265 HydrophobicContact CB-CD2 4.36Å; Q251-L265 HydrophobicContact CG-CD2 4.25Å; L255-L265 HydrophobicContact CD1-CD1 4.2Å; L255-L265 HydrophobicContact CD2-CD1 3.83Å; L255-L265 HydrophobicContact CG-CD1 4.44Å; I260-L265 HydrophobicContact CD1-CD1 4.42Å; I260-L265 HydrophobicContact CD1-CD2 4.35Å; I260-L265 HydrophobicContact CD1-CG 4.3Å; P262-L265 PolarHBondContact O-N 3.22Å; P262-L265 VanDerWaalsContact O-N 3.09Å; T263-L265 PolarHBondContact O-N 3.01Å; L265-R267 VanDerWaalsContact C-N 3.3Å; L265-V268 HydrophobicContact CD2-CG2 4.38Å; L265-L270 HydrophobicContact CB-CD1 4.49Å; L265-L270 HydrophobicContact CD2-CD2 4.26Å; L265-L270 WeakPolarHBondContact O-CD1 3.37Å
266F94Very high91.4Very high26 Ų2651.6 Ų51.611%0.11428%0.284CS..G310 helixtrans-80.3-11.7174.8-74.3-100.3000113.4D178 I180 L199 R201 V214 R243 T263 A264D178-F266 HydrophobicContact CB-CD1 4.39Å; D178-F266 HydrophobicContact CB-CE1 3.92Å; D178-F266 VanDerWaalsContact OD2-CD1 3.26Å; D178-F266 WeakPolarHBondContact OD2-CD1 3.35Å; D178-F266 WeakPolarHBondContact OD2-CE1 3.3Å; I180-F266 HydrophobicContact CB-CZ 4.34Å; I180-F266 HydrophobicContact CD1-CD1 3.89Å; I180-F266 HydrophobicContact CD1-CD2 3.85Å; I180-F266 HydrophobicContact CD1-CE1 3.77Å; I180-F266 HydrophobicContact CD1-CE2 3.73Å; I180-F266 HydrophobicContact CD1-CG 3.92Å; I180-F266 HydrophobicContact CD1-CZ 3.7Å; I180-F266 HydrophobicContact CG1-CD1 4.33Å; I180-F266 HydrophobicContact CG1-CE1 3.78Å; I180-F266 HydrophobicContact CG1-CE2 4.26Å; I180-F266 HydrophobicContact CG1-CZ 3.75Å; L199-F266 HydrophobicContact CB-CE2 3.76Å; L199-F266 HydrophobicContact CB-CZ 3.97Å; L199-F266 HydrophobicContact CD1-CE2 4.12Å; R201-F266 HydrophobicContact CB-CD1 4.36Å; R201-F266 HydrophobicContact CB-CE1 3.8Å; R201-F266 HydrophobicContact CB-CZ 3.92Å; V214-F266 HydrophobicContact CB-CE2 4.44Å; V214-F266 HydrophobicContact CG1-CD2 4.38Å; V214-F266 HydrophobicContact CG1-CE2 3.63Å; V214-F266 HydrophobicContact CG1-CZ 4.35Å; V214-F266 HydrophobicContact CG2-CD2 4.01Å; V214-F266 HydrophobicContact CG2-CE2 3.87Å; R243-F266 VanDerWaalsContact NH2-CD1 3.35Å; T263-F266 WeakPolarHBondContact O-CB 3.25Å; T263-F266 PolarHBondContact O-N 3.24Å; T263-F266 VanDerWaalsContact O-N 3.1Å; A264-F266 PolarHBondContact O-N 3.5Å
267R89Confident91.5Very high128 Ų12852.1 Ų52.148%0.48329%0.288SS..THydrogen-bonded Turntrans-110.5-11.5-173.9-62.3-174.1179.8-168.60.5114.5Q94 A95 D97 A264 L265Q94-R267 PolarHBondContact O-NH1 3.17Å; Q94-R267 PolarHBondContact O-NH2 3.39Å; A95-R267 PolarHBondContact O-NE 3.19Å; A95-R267 PolarHBondContact O-NH2 2.92Å; D97-R267 VanDerWaalsContact CB-NH2 3.28Å; A264-R267 PolarHBondContact O-N 3.46Å; A264-R267 VanDerWaalsContact O-N 3.13Å; L265-R267 VanDerWaalsContact C-N 3.3Å
268V89Confident91.7Very high60 Ų6052.2 Ų52.236%0.36429%0.286SS..SBendtrans-101.1150.3179.8-60.10000109.8L265 L270L265-V268 HydrophobicContact CD2-CG2 4.38Å; V268-L270 HydrophobicContact CG2-CD2 3.71Å; V268-L270 HydrophobicContact CG2-CG 4.3Å; V268-L270 PolarHBondContact O-N 2.99Å
269P88.9Confident91.8Very high126 Ų12655.3 Ų55.382%0.81830%0.302SS*.  trans-62.6129.9168.626.3-32.5000109.3
270L93.7Very high92Very high33 Ų3354.4 Ų54.417%0.17330%0.302CS..  trans-117.1144.6176-61.3-179.2000109.2I180 V245 L247 L265 V268I180-L270 HydrophobicContact CD1-CD1 4.07Å; V245-L270 HydrophobicContact CB-CB 4.07Å; V245-L270 HydrophobicContact CB-CD1 4.32Å; V245-L270 HydrophobicContact CG1-CB 3.95Å; V245-L270 HydrophobicContact CG1-CD1 4.22Å; V245-L270 HydrophobicContact CG2-CB 4.5Å; V245-L270 HydrophobicContact CG2-CD1 3.9Å; L247-L270 HydrophobicContact CD2-CD1 4.2Å; L247-L270 HydrophobicContact CD2-CD2 3.75Å; L265-L270 HydrophobicContact CB-CD1 4.49Å; L265-L270 HydrophobicContact CD2-CD2 4.26Å; L265-L270 WeakPolarHBondContact O-CD1 3.37Å; V268-L270 HydrophobicContact CG2-CD2 3.71Å; V268-L270 HydrophobicContact CG2-CG 4.3Å; V268-L270 PolarHBondContact O-N 2.99Å
271S92.6Very high92Very high73 Ų7355.2 Ų55.251%0.5131%0.308SS..EExtended strand (participates in β ladder)trans-70.6131.9175.7-61.40000109.6V245 T246V245-S271 CarbonylContact C-O 3.52Å; V245-S271 WeakPolarHBondContact CA-O 3.36Å; V245-S271 VanDerWaalsContact CB-O 3.31Å; V245-S271 WeakPolarHBondContact CB-O 3.45Å; T246-S271 PolarHBondContact N-O 3.42Å
272P92.3Very high92Very high110 Ų11059.4 Ų59.471%0.71433%0.332SS*.EExtended strand (participates in β ladder)trans-62.3146.1171.828.2-33.8000110
273W88.3Confident91.8Very high103 Ų10364.5 Ų64.539%0.3936%0.359SS..  trans-79.60169.1-176.910.2000110.9H183 M222 E227 F230 A244H183-W273 AromaticContact CD2-CD1 3.7Å; H183-W273 AromaticContact CD2-CD2 3.39Å; H183-W273 AromaticContact CD2-CE2 3.67Å; H183-W273 AromaticContact CD2-CE3 3.9Å; H183-W273 AromaticContact CD2-CG 3.42Å; H183-W273 VanDerWaalsContact CD2-CG 3.42Å; H183-W273 AromaticContact CD2-NE1 3.82Å; H183-W273 AromaticContact CE1-CD1 3.59Å; H183-W273 AromaticContact CE1-NE1 3.57Å; H183-W273 AromaticContact NE2-CD1 3.05Å; H183-W273 AromaticContact NE2-CD2 3.63Å; H183-W273 AromaticContact NE2-CE2 3.78Å; H183-W273 AromaticContact NE2-CG 3.17Å; H183-W273 AromaticContact NE2-NE1 3.41Å; H183-W273 PolarHBondContact NE2-NE1 3.38Å; M222-W273 HydrophobicContact CE-CH2 3.66Å; M222-W273 HydrophobicContact CE-CZ2 3.98Å; M222-W273 HydrophobicContact CE-CZ3 4.5Å; E227-W273 WeakPolarHBondContact OE2-CH2 3.39Å; E227-W273 WeakPolarHBondContact OE2-CZ2 3.47Å; F230-W273 HydrophobicContact CB-CH2 4.26Å; F230-W273 HydrophobicContact CB-CZ3 4.01Å; F230-W273 AromaticContact CD2-CH2 3.8Å; F230-W273 HydrophobicContact CD2-CH2 3.8Å; F230-W273 AromaticContact CD2-CZ3 3.46Å; F230-W273 HydrophobicContact CD2-CZ3 3.46Å; F230-W273 VanDerWaalsContact CD2-CZ3 3.46Å; F230-W273 HydrophobicContact CE2-CZ3 4.37Å; F230-W273 HydrophobicContact CG-CZ3 4.23Å; A244-W273 HydrophobicContact CB-CB 4.05Å; A244-W273 HydrophobicContact CB-CE3 3.86Å; A244-W273 PolarHBondContact O-N 3.2Å

Retrieved 273 of 273 residues in 85.8 ms (Link to these results)