A0A087YQ15_POEFO Loading...

Hexosyltransferase

AlphaFold DB , UniProt , Accession A0A087YQ15, Species POEFO (Poecilia formosa, Amazon molly), Gene B3GNT5, Length 386 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.3Very low55.4Low213 Ų213159 Ų159100%1.04970%0.698SS**  071.60-172.7173.7158.500109.4M3M1-M3 HydrophobicContact CE-SD 4.28Å; M1-M3 PolarHBondContact O-N 3.32Å
2F48Very low56.9Low217 Ų217154.5 Ų154.595%0.95268%0.681SS**  trans-93.682.2175.1-86.8-85.8000108.7N4F2-N4 PolarHBondContact O-N 2.98Å
3M48.1Very low58.4Low132 Ų132148.3 Ų148.365%0.6567%0.667SS**  trans-70.985.8170.1-88.6175.257.900109.7M1 F5M1-M3 HydrophobicContact CE-SD 4.28Å; M1-M3 PolarHBondContact O-N 3.32Å; M3-F5 PolarHBondContact O-N 3.43Å
4N52.9Low60Low89 Ų89143.4 Ų143.448%0.47665%0.654SS.*  trans29.558.8139.3-126.9-22.6000117.7F2 R6 R7 I8F2-N4 PolarHBondContact O-N 2.98Å; N4-R6 PolarHBondContact O-N 3.18Å; N4-R6 VanDerWaalsContact O-N 3.15Å; N4-R7 HydrophobicContact CB-CB 4.08Å; N4-R7 WeakPolarHBondContact O-CB 3.48Å; N4-R7 PolarHBondContact O-N 2.86Å; N4-I8 PolarHBondContact O-N 3.29Å
5F49.5Very low61.2Low169 Ų169142.3 Ų142.374%0.74165%0.649SS**Hα-helixtrans-52.1-34.4176-107.8-96.5000113.4M3 R7 I8 H9M3-F5 PolarHBondContact O-N 3.43Å; F5-R7 VanDerWaalsContact C-N 3.3Å; F5-R7 PolarHBondContact O-N 2.99Å; F5-I8 PolarHBondContact O-N 2.75Å; F5-H9 PolarHBondContact O-N 2.9Å; F5-H9 VanDerWaalsContact O-N 3.14Å
6R56.7Low62.5Low218 Ų218140.8 Ų140.882%0.82365%0.647SS**Hα-helixtrans-63.2-31.6174.4-84.6-177.5173.4179.9-1.8113.6N4 K10N4-R6 PolarHBondContact O-N 3.18Å; N4-R6 VanDerWaalsContact O-N 3.15Å; R6-K10 WeakPolarHBondContact O-CB 3.3Å; R6-K10 PolarHBondContact O-N 3.34Å; R6-K10 VanDerWaalsContact O-N 3.16Å
7R55.5Low63.8Low165 Ų165139.4 Ų139.462%0.62365%0.645SS**Hα-helixtrans-74.7-33.8178.4-119-179.4-169.7178.93.5111.5N4 F5 R11N4-R7 HydrophobicContact CB-CB 4.08Å; N4-R7 WeakPolarHBondContact O-CB 3.48Å; N4-R7 PolarHBondContact O-N 2.86Å; F5-R7 VanDerWaalsContact C-N 3.3Å; F5-R7 PolarHBondContact O-N 2.99Å; R7-R11 WeakPolarHBondContact O-CB 3.3Å; R7-R11 WeakPolarHBondContact O-CG 3.49Å; R7-R11 PolarHBondContact O-N 2.9Å
8I58.1Low65.1Low75 Ų75136.8 Ų136.839%0.38564%0.636SS.*Hα-helixtrans-69.7-47.3177.4-62.7171.2000110.1N4 F5 K10 R11 Q12N4-I8 PolarHBondContact O-N 3.29Å; F5-I8 PolarHBondContact O-N 2.75Å; I8-K10 PolarHBondContact O-N 3.36Å; I8-R11 PolarHBondContact O-N 3.49Å; I8-Q12 WeakPolarHBondContact O-CG 3.36Å; I8-Q12 PolarHBondContact O-N 2.94Å
9H60.8Low66Low129 Ų129133.3 Ų133.360%0.59763%0.625SS**Hα-helixtrans-62.5-39.7175.7-110.4-69.1000112.9F5 Q12 C13F5-H9 PolarHBondContact O-N 2.9Å; F5-H9 VanDerWaalsContact O-N 3.14Å; H9-Q12 PolarHBondContact O-N 3.5Å; H9-C13 VanDerWaalsContact O-CB 3.32Å; H9-C13 WeakPolarHBondContact O-CB 3.2Å; H9-C13 PolarHBondContact O-N 3.41Å
10K67.3Low66.9Low159 Ų159129.1 Ų129.169%0.69161%0.614SS**Hα-helixtrans-62.8-42.8173.5-84.8-172.6174.5-172.20112.1R6 I8 C13 V14R6-K10 WeakPolarHBondContact O-CB 3.3Å; R6-K10 PolarHBondContact O-N 3.34Å; R6-K10 VanDerWaalsContact O-N 3.16Å; I8-K10 PolarHBondContact O-N 3.36Å; K10-C13 PolarHBondContact O-N 2.86Å; K10-V14 WeakPolarHBondContact O-CB 3.47Å; K10-V14 VanDerWaalsContact O-CG2 3.25Å; K10-V14 WeakPolarHBondContact O-CG2 3.32Å; K10-V14 PolarHBondContact O-N 3.22Å
11R68.4Low67.9Low183 Ų183129.3 Ų129.369%0.69162%0.616SS**Hα-helixtrans-65.4-40.2176.8-79.3-177.6175.3-172.9-2.2112.4R7 I8 V14 H15R7-R11 WeakPolarHBondContact O-CB 3.3Å; R7-R11 WeakPolarHBondContact O-CG 3.49Å; R7-R11 PolarHBondContact O-N 2.9Å; I8-R11 PolarHBondContact O-N 3.49Å; R11-V14 PolarHBondContact O-N 2.92Å; R11-H15 WeakPolarHBondContact O-CB 3.41Å; R11-H15 PolarHBondContact O-N 3.25Å
12Q72.8Confident69.8Low105 Ų105122.8 Ų122.849%0.49159%0.588SS.*Hα-helixtrans-65.4-41.6175.2-74.3174.3-21.200112I8 H9 H15 L16I8-Q12 WeakPolarHBondContact O-CG 3.36Å; I8-Q12 PolarHBondContact O-N 2.94Å; H9-Q12 PolarHBondContact O-N 3.5Å; Q12-H15 PolarHBondContact O-N 2.8Å; Q12-L16 PolarHBondContact O-N 2.82Å
13C77.5Confident71.4Confident74 Ų74117.6 Ų117.650%0.557%0.57SS.*Hα-helixtrans-64.9-41.5176.4-154.70000111.7H9 K10 L16 L17H9-C13 VanDerWaalsContact O-CB 3.32Å; H9-C13 WeakPolarHBondContact O-CB 3.2Å; H9-C13 PolarHBondContact O-N 3.41Å; K10-C13 PolarHBondContact O-N 2.86Å; C13-L16 PolarHBondContact O-N 3.43Å; C13-L17 WeakPolarHBondContact O-CG 3.08Å; C13-L17 PolarHBondContact O-N 3.34Å
14V80.7Confident73Confident80 Ų80115 Ų11549%0.48556%0.564SS.*Hα-helixtrans-63.2-42.1173.3171.20000111.5K10 R11 L17 I18K10-V14 WeakPolarHBondContact O-CB 3.47Å; K10-V14 VanDerWaalsContact O-CG2 3.25Å; K10-V14 WeakPolarHBondContact O-CG2 3.32Å; K10-V14 PolarHBondContact O-N 3.22Å; R11-V14 PolarHBondContact O-N 2.92Å; V14-L17 PolarHBondContact O-N 3.1Å; V14-I18 HydrophobicContact CG1-CD1 3.71Å; V14-I18 HydrophobicContact CG1-CG1 4.39Å; V14-I18 VanDerWaalsContact O-CG1 3.24Å; V14-I18 WeakPolarHBondContact O-CG1 3.49Å; V14-I18 PolarHBondContact O-N 2.86Å
15H78.1Confident74.2Confident127 Ų127114.6 Ų114.659%0.58856%0.564SS**Hα-helixtrans-62.6-41175-100.6-74.4000113.1R11 Q12 I18 T19R11-H15 WeakPolarHBondContact O-CB 3.41Å; R11-H15 PolarHBondContact O-N 3.25Å; Q12-H15 PolarHBondContact O-N 2.8Å; H15-I18 PolarHBondContact O-N 2.67Å; H15-T19 WeakPolarHBondContact O-CB 3.33Å; H15-T19 WeakPolarHBondContact O-CG2 3.4Å; H15-T19 PolarHBondContact O-N 2.9Å; H15-T19 PolarHBondContact O-OG1 3.47Å
16L81.1Confident75.4Confident118 Ų118111.5 Ų111.562%0.61856%0.555SS**Hα-helixtrans-63.9-42.7175.2-87.5157.4000111.9Q12 C13 T19 A20Q12-L16 PolarHBondContact O-N 2.82Å; C13-L16 PolarHBondContact O-N 3.43Å; L16-T19 WeakPolarHBondContact CA-OG1 3.45Å; L16-T19 PolarHBondContact O-N 2.91Å; L16-T19 PolarHBondContact O-OG1 3.07Å; L16-A20 VanDerWaalsContact O-CB 3.26Å; L16-A20 WeakPolarHBondContact O-CB 3.44Å; L16-A20 PolarHBondContact O-N 3.16Å
17L85.7Confident76.1Confident117 Ų117104.8 Ų104.861%0.61354%0.539SS*.Hα-helixtrans-64.2-42.5175.9-71.7169.7000111.9C13 V14 M21C13-L17 WeakPolarHBondContact O-CG 3.08Å; C13-L17 PolarHBondContact O-N 3.34Å; V14-L17 PolarHBondContact O-N 3.1Å; L17-M21 VanDerWaalsContact O-CB 3.28Å; L17-M21 WeakPolarHBondContact O-CB 3.42Å; L17-M21 PolarHBondContact O-N 2.99Å
18I85.9Confident76.9Confident92 Ų92100.9 Ų100.947%0.47253%0.533SS..Hα-helixtrans-64.9-45.8177.2-68.6167000110.7V14 H15 M21 V22V14-I18 HydrophobicContact CG1-CD1 3.71Å; V14-I18 HydrophobicContact CG1-CG1 4.39Å; V14-I18 VanDerWaalsContact O-CG1 3.24Å; V14-I18 WeakPolarHBondContact O-CG1 3.49Å; V14-I18 PolarHBondContact O-N 2.86Å; H15-I18 PolarHBondContact O-N 2.67Å; I18-M21 PolarHBondContact O-N 2.67Å; I18-V22 HydrophobicContact CG2-CG2 4.38Å; I18-V22 VanDerWaalsContact O-CG2 3.27Å; I18-V22 WeakPolarHBondContact O-CG2 3.21Å; I18-V22 PolarHBondContact O-N 3.41Å
19T82.4Confident77.4Confident70 Ų70100.9 Ų100.943%0.42954%0.539SS..Hα-helixtrans-66.2-41.3179.645.90000112.2H15 L16 V22 L23H15-T19 WeakPolarHBondContact O-CB 3.33Å; H15-T19 WeakPolarHBondContact O-CG2 3.4Å; H15-T19 PolarHBondContact O-N 2.9Å; H15-T19 PolarHBondContact O-OG1 3.47Å; L16-T19 WeakPolarHBondContact CA-OG1 3.45Å; L16-T19 PolarHBondContact O-N 2.91Å; L16-T19 PolarHBondContact O-OG1 3.07Å; T19-V22 PolarHBondContact O-N 3.32Å; T19-L23 WeakPolarHBondContact O-CB 3.36Å; T19-L23 WeakPolarHBondContact O-CG 3.42Å; T19-L23 PolarHBondContact O-N 2.98Å
20A85.1Confident77.9Confident50 Ų50103.4 Ų103.441%0.41354%0.543SS..Hα-helixtrans-61.2-43.9172.500000111.5L16 V22 L23 C24L16-A20 VanDerWaalsContact O-CB 3.26Å; L16-A20 WeakPolarHBondContact O-CB 3.44Å; L16-A20 PolarHBondContact O-N 3.16Å; A20-V22 PolarHBondContact O-N 3.36Å; A20-L23 PolarHBondContact O-N 3.19Å; A20-C24 WeakPolarHBondContact O-CB 3.3Å; A20-C24 PolarHBondContact O-N 3.26Å; A20-C24 PolarHBondContact O-SG 3.3Å
21M86.4Confident77.9Confident133 Ų133102 Ų10266%0.65554%0.539SS*.Hα-helixtrans-61.1-44.9175.7-174.5-178.7177.600111.6L17 I18 C24 V25L17-M21 VanDerWaalsContact O-CB 3.28Å; L17-M21 WeakPolarHBondContact O-CB 3.42Å; L17-M21 PolarHBondContact O-N 2.99Å; I18-M21 PolarHBondContact O-N 2.67Å; M21-C24 PolarHBondContact O-N 3.44Å; M21-V25 VanDerWaalsContact O-CG2 3.28Å; M21-V25 WeakPolarHBondContact O-CG2 3.2Å; M21-V25 PolarHBondContact O-N 2.82Å
22V85.6Confident77.8Confident77 Ų7798.7 Ų98.747%0.46753%0.531SS..Hα-helixtrans-62.6-43.9177.1170.20000111.2I18 T19 A20 V25 L26I18-V22 HydrophobicContact CG2-CG2 4.38Å; I18-V22 VanDerWaalsContact O-CG2 3.27Å; I18-V22 WeakPolarHBondContact O-CG2 3.21Å; I18-V22 PolarHBondContact O-N 3.41Å; T19-V22 PolarHBondContact O-N 3.32Å; A20-V22 PolarHBondContact O-N 3.36Å; V22-V25 PolarHBondContact O-N 3.12Å; V22-L26 HydrophobicContact CG1-CD1 3.89Å; V22-L26 HydrophobicContact CG1-CG 4.32Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 VanDerWaalsContact O-CG 3.27Å; V22-L26 WeakPolarHBondContact O-CG 3.38Å; V22-L26 PolarHBondContact O-N 3.3Å
23L80.2Confident77.6Confident108 Ų10898.7 Ų98.757%0.56553%0.534SS*.Hα-helixtrans-65.3-40.6177.2-73.2168.8000112.3T19 A20 V25 L26 T27T19-L23 WeakPolarHBondContact O-CB 3.36Å; T19-L23 WeakPolarHBondContact O-CG 3.42Å; T19-L23 PolarHBondContact O-N 2.98Å; A20-L23 PolarHBondContact O-N 3.19Å; L23-V25 VanDerWaalsContact C-N 3.34Å; L23-L26 PolarHBondContact O-N 3.23Å; L23-T27 WeakPolarHBondContact O-CB 3.06Å; L23-T27 WeakPolarHBondContact O-CG2 3.09Å; L23-T27 PolarHBondContact O-N 2.61Å; L23-T27 PolarHBondContact O-OG1 2.84Å
24C81.8Confident77.3Confident77 Ų7799.2 Ų99.252%0.5253%0.532SS..Hα-helixtrans-61.8-42.3173-71.90000111.6A20 M21 T27 V28A20-C24 WeakPolarHBondContact O-CB 3.3Å; A20-C24 PolarHBondContact O-N 3.26Å; A20-C24 PolarHBondContact O-SG 3.3Å; M21-C24 PolarHBondContact O-N 3.44Å; C24-T27 WeakPolarHBondContact CA-OG1 3.32Å; C24-T27 PolarHBondContact O-OG1 3.3Å; C24-V28 WeakPolarHBondContact O-CB 3.46Å; C24-V28 VanDerWaalsContact O-CG2 3.27Å; C24-V28 WeakPolarHBondContact O-CG2 3.4Å; C24-V28 PolarHBondContact O-N 3.22Å
25V78.2Confident77Confident80 Ų80101.2 Ų101.249%0.48554%0.539SS..Hα-helixtrans-64.5-45.4176170.90000110.7M21 V22 L23 T27 V28 C29M21-V25 VanDerWaalsContact O-CG2 3.28Å; M21-V25 WeakPolarHBondContact O-CG2 3.2Å; M21-V25 PolarHBondContact O-N 2.82Å; V22-V25 PolarHBondContact O-N 3.12Å; L23-V25 VanDerWaalsContact C-N 3.34Å; V25-T27 PolarHBondContact O-N 3.09Å; V25-V28 PolarHBondContact O-N 3Å; V25-C29 VanDerWaalsContact O-CB 3.31Å; V25-C29 WeakPolarHBondContact O-CB 3.01Å; V25-C29 PolarHBondContact O-N 3.48Å; V25-C29 PolarHBondContact O-SG 3.04Å
26L76.3Confident77Confident104 Ų104100.5 Ų100.555%0.54554%0.536SS..Hα-helixtrans-62.6-40.8179.3-72.9172.3000112.4V22 L23 W30V22-L26 HydrophobicContact CG1-CD1 3.89Å; V22-L26 HydrophobicContact CG1-CG 4.32Å; V22-L26 WeakPolarHBondContact O-CB 3.49Å; V22-L26 VanDerWaalsContact O-CG 3.27Å; V22-L26 WeakPolarHBondContact O-CG 3.38Å; V22-L26 PolarHBondContact O-N 3.3Å; L23-L26 PolarHBondContact O-N 3.23Å; L26-W30 WeakPolarHBondContact O-CB 3.25Å; L26-W30 PolarHBondContact O-N 3.46Å
27T69.7Low77Confident78 Ų7897.8 Ų97.848%0.47952%0.524SS..Hα-helixtrans-67.9-45.4178.545.80000112L23 C24 V25 W30 E31L23-T27 WeakPolarHBondContact O-CB 3.06Å; L23-T27 WeakPolarHBondContact O-CG2 3.09Å; L23-T27 PolarHBondContact O-N 2.61Å; L23-T27 PolarHBondContact O-OG1 2.84Å; C24-T27 WeakPolarHBondContact CA-OG1 3.32Å; C24-T27 PolarHBondContact O-OG1 3.3Å; V25-T27 PolarHBondContact O-N 3.09Å; T27-W30 PolarHBondContact O-N 3.09Å; T27-E31 WeakPolarHBondContact O-CG 3.46Å; T27-E31 PolarHBondContact O-N 2.93Å
28V72Confident76.8Confident83 Ų8394.4 Ų94.450%0.50351%0.508SS..Hα-helixtrans-62-45.2175.3172.60000111.2C24 V25 W30 E31 E32C24-V28 WeakPolarHBondContact O-CB 3.46Å; C24-V28 VanDerWaalsContact O-CG2 3.27Å; C24-V28 WeakPolarHBondContact O-CG2 3.4Å; C24-V28 PolarHBondContact O-N 3.22Å; V25-V28 PolarHBondContact O-N 3Å; V28-W30 VanDerWaalsContact C-N 3.3Å; V28-W30 PolarHBondContact O-N 2.77Å; V28-E31 PolarHBondContact O-N 3.21Å; V28-E32 PolarHBondContact O-N 3.38Å; V28-E32 VanDerWaalsContact O-N 3.08Å
29C70.4Confident76.9Confident75 Ų7591.6 Ų91.651%0.50750%0.497SS..Hα-helixtrans-64.3-35.6176.5-700000112.4V25 L33V25-C29 VanDerWaalsContact O-CB 3.31Å; V25-C29 WeakPolarHBondContact O-CB 3.01Å; V25-C29 PolarHBondContact O-N 3.48Å; V25-C29 PolarHBondContact O-SG 3.04Å; C29-L33 WeakPolarHBondContact O-CB 3.4Å; C29-L33 PolarHBondContact O-N 3.35Å; C29-L33 VanDerWaalsContact O-N 3.09Å
30W70.9Confident77.1Confident181 Ų18192.3 Ų92.369%0.68650%0.495SS*.Hα-helixtrans-68.3-44.6176.7-171.3-87.7000111.7L26 T27 V28 L33 D34L26-W30 WeakPolarHBondContact O-CB 3.25Å; L26-W30 PolarHBondContact O-N 3.46Å; T27-W30 PolarHBondContact O-N 3.09Å; V28-W30 VanDerWaalsContact C-N 3.3Å; V28-W30 PolarHBondContact O-N 2.77Å; W30-L33 PolarHBondContact O-N 3.38Å; W30-D34 VanDerWaalsContact O-CB 3.26Å; W30-D34 WeakPolarHBondContact O-CB 3.45Å; W30-D34 PolarHBondContact O-N 2.92Å
31E66.6Low77.2Confident129 Ų12995.7 Ų95.760%0.60350%0.504SS*.Hα-helixtrans-60.8-44.3176.4-76.6-177.317900112T27 V28 D34 L35T27-E31 WeakPolarHBondContact O-CG 3.46Å; T27-E31 PolarHBondContact O-N 2.93Å; V28-E31 PolarHBondContact O-N 3.21Å; E31-D34 PolarHBondContact O-N 3.5Å; E31-L35 VanDerWaalsContact O-CB 3.31Å; E31-L35 WeakPolarHBondContact O-CB 3.34Å; E31-L35 WeakPolarHBondContact O-CD1 3.49Å; E31-L35 WeakPolarHBondContact O-CG 3.43Å; E31-L35 PolarHBondContact O-N 3.17Å
32E66.2Low77.1Confident115 Ų11596.8 Ų96.854%0.53750%0.501SS..Hα-helixtrans-64.6-42176.8-73.3-151.9162.600112.6V28 H36V28-E32 PolarHBondContact O-N 3.38Å; V28-E32 VanDerWaalsContact O-N 3.08Å; E32-H36 WeakPolarHBondContact O-CB 3.39Å; E32-H36 PolarHBondContact O-N 2.06Å
33L69.6Low77.3Confident104 Ų10493.2 Ų93.255%0.54548%0.479SS..Hα-helixtrans-64.9-45177.8-174.368.7000111.4C29 W30 H36 V37C29-L33 WeakPolarHBondContact O-CB 3.4Å; C29-L33 PolarHBondContact O-N 3.35Å; C29-L33 VanDerWaalsContact O-N 3.09Å; W30-L33 PolarHBondContact O-N 3.38Å; L33-H36 PolarHBondContact O-N 2.79Å; L33-V37 WeakPolarHBondContact O-CG2 3.47Å; L33-V37 PolarHBondContact O-N 3.11Å
34D71.4Confident77.7Confident85 Ų8595.9 Ų95.946%0.45548%0.483SS..Hα-helixtrans-62.9-45.5178.6-169.243.4000110.7W30 E31 H36 V37 V38W30-D34 VanDerWaalsContact O-CB 3.26Å; W30-D34 WeakPolarHBondContact O-CB 3.45Å; W30-D34 PolarHBondContact O-N 2.92Å; E31-D34 PolarHBondContact O-N 3.5Å; D34-H36 VanDerWaalsContact C-N 3.33Å; D34-H36 PolarHBondContact O-N 3.3Å; D34-V37 PolarHBondContact O-N 2.9Å; D34-V38 WeakPolarHBondContact O-CB 3.43Å; D34-V38 WeakPolarHBondContact O-CG2 3.16Å; D34-V38 PolarHBondContact O-N 3.01Å
35L74.2Confident77.9Confident122 Ų12294.8 Ų94.864%0.63948%0.476SS*.Hα-helixtrans-58.1-43174.8-75.9168.9000112.3E31 S39E31-L35 VanDerWaalsContact O-CB 3.31Å; E31-L35 WeakPolarHBondContact O-CB 3.34Å; E31-L35 WeakPolarHBondContact O-CD1 3.49Å; E31-L35 WeakPolarHBondContact O-CG 3.43Å; E31-L35 PolarHBondContact O-N 3.17Å; L35-S39 WeakPolarHBondContact O-CB 3.24Å; L35-S39 PolarHBondContact O-N 2.83Å
36H76.9Confident78.3Confident113 Ų11392.2 Ų92.252%0.52346%0.458SS..Hα-helixtrans-65-50.6177.8-174.4-81.7000111.6E32 L33 D34 S39 H40E32-H36 WeakPolarHBondContact O-CB 3.39Å; E32-H36 PolarHBondContact O-N 2.06Å; L33-H36 PolarHBondContact O-N 2.79Å; D34-H36 VanDerWaalsContact C-N 3.33Å; D34-H36 PolarHBondContact O-N 3.3Å; H36-S39 PolarHBondContact O-N 2.73Å; H36-H40 AromaticContact CE1-CD2 3.39Å; H36-H40 PolarHBondContact CE1-CD2 2.77Å; H36-H40 AromaticContact CE1-NE2 3.45Å; H36-H40 PolarHBondContact CE1-NE2 3.25Å; H36-H40 AromaticContact ND1-CD2 3.69Å; H36-H40 AromaticContact NE2-CD2 3.74Å; H36-H40 AromaticContact NE2-NE2 3.48Å; H36-H40 PolarHBondContact NE2-NE2 3.29Å; H36-H40 PolarHBondContact O-CD2 3.36Å; H36-H40 VanDerWaalsContact O-CD2 3.29Å; H36-H40 PolarHBondContact O-N 2.92Å
37V80.8Confident78.8Confident61 Ų6190.3 Ų90.337%0.3744%0.443SS..Hα-helixtrans-62.4-48.8-179.5173.40000111L33 D34 S39 H40 M41L33-V37 WeakPolarHBondContact O-CG2 3.47Å; L33-V37 PolarHBondContact O-N 3.11Å; D34-V37 PolarHBondContact O-N 2.9Å; V37-S39 VanDerWaalsContact C-N 3.33Å; V37-S39 PolarHBondContact O-N 2.71Å; V37-H40 PolarHBondContact O-N 3.2Å; V37-M41 HydrophobicContact CG1-CE 3.95Å; V37-M41 HydrophobicContact CG1-CG 4.37Å; V37-M41 HydrophobicContact CG1-SD 4.16Å; V37-M41 WeakPolarHBondContact O-CG 3.5Å; V37-M41 PolarHBondContact O-N 3.16Å
38V83.4Confident79.4Confident46 Ų4695.3 Ų95.328%0.27946%0.455SS..Hα-helixtrans-61.2-41.9179.4172.10000111D34 M41 R42D34-V38 WeakPolarHBondContact O-CB 3.43Å; D34-V38 WeakPolarHBondContact O-CG2 3.16Å; D34-V38 PolarHBondContact O-N 3.01Å; V38-M41 PolarHBondContact O-N 2.81Å; V38-R42 HydrophobicContact CG1-CG 4.36Å; V38-R42 WeakPolarHBondContact O-CB 3.26Å; V38-R42 VanDerWaalsContact O-CG 3.29Å; V38-R42 WeakPolarHBondContact O-CG 3.36Å; V38-R42 PolarHBondContact O-N 3.42Å
39S86.5Confident79.9Confident33 Ų3397.8 Ų97.823%0.23146%0.464CS..Hα-helixtrans-61.4-45.7177.2-171.50000111.8L35 H36 V37 R42 S43 P236L35-S39 WeakPolarHBondContact O-CB 3.24Å; L35-S39 PolarHBondContact O-N 2.83Å; H36-S39 PolarHBondContact O-N 2.73Å; V37-S39 VanDerWaalsContact C-N 3.33Å; V37-S39 PolarHBondContact O-N 2.71Å; S39-R42 PolarHBondContact O-N 3.03Å; S39-S43 WeakPolarHBondContact O-CB 3.38Å; S39-S43 PolarHBondContact O-N 3.34Å; S39-P236 WeakPolarHBondContact OG-CB 3.37Å
40H87.4Confident80.5Confident84 Ų8498.1 Ų98.139%0.38946%0.46SS..Hα-helixtrans-65.9-40.6176.2-86.1-91.3000112.8H36 V37 S43 Y44H36-H40 AromaticContact CE1-CD2 3.39Å; H36-H40 PolarHBondContact CE1-CD2 2.77Å; H36-H40 AromaticContact CE1-NE2 3.45Å; H36-H40 PolarHBondContact CE1-NE2 3.25Å; H36-H40 AromaticContact ND1-CD2 3.69Å; H36-H40 AromaticContact NE2-CD2 3.74Å; H36-H40 AromaticContact NE2-NE2 3.48Å; H36-H40 PolarHBondContact NE2-NE2 3.29Å; H36-H40 PolarHBondContact O-CD2 3.36Å; H36-H40 VanDerWaalsContact O-CD2 3.29Å; H36-H40 PolarHBondContact O-N 2.92Å; V37-H40 PolarHBondContact O-N 3.2Å; H40-S43 PolarHBondContact O-N 3.49Å; H40-Y44 WeakPolarHBondContact O-CB 3.27Å; H40-Y44 PolarHBondContact O-N 2.87Å
41M86.1Confident81Confident122 Ų12293 Ų9360%0.60145%0.446SS*.Hα-helixtrans-62.7-43.7175-75.3-173169.800112.1V37 V38 Y44 S45V37-M41 HydrophobicContact CG1-CE 3.95Å; V37-M41 HydrophobicContact CG1-CG 4.37Å; V37-M41 HydrophobicContact CG1-SD 4.16Å; V37-M41 WeakPolarHBondContact O-CG 3.5Å; V37-M41 PolarHBondContact O-N 3.16Å; V38-M41 PolarHBondContact O-N 2.81Å; M41-Y44 PolarHBondContact O-N 2.97Å; M41-S45 WeakPolarHBondContact O-CB 3.1Å; M41-S45 PolarHBondContact O-N 3.19Å; M41-S45 PolarHBondContact O-OG 3.18Å
42R86.1Confident81.5Confident156 Ų15694.1 Ų94.159%0.58945%0.445SS*.Hα-helixtrans-61.9-45.6175-76.1177.1179-174.31.8111.3V38 S39 S45 Y46 P255V38-R42 HydrophobicContact CG1-CG 4.36Å; V38-R42 WeakPolarHBondContact O-CB 3.26Å; V38-R42 VanDerWaalsContact O-CG 3.29Å; V38-R42 WeakPolarHBondContact O-CG 3.36Å; V38-R42 PolarHBondContact O-N 3.42Å; S39-R42 PolarHBondContact O-N 3.03Å; R42-S45 PolarHBondContact O-N 3.05Å; R42-Y46 VanDerWaalsContact O-CB 3.31Å; R42-Y46 WeakPolarHBondContact O-CB 3.39Å; R42-Y46 PolarHBondContact O-N 2.95Å; R42-P255 HydrophobicContact CB-CB 4.48Å
43S89.7Confident82.1Confident1 Ų189.4 Ų89.41%0.00742%0.422CS..Hα-helixtrans-61.2-46.8177.9-1710000111.9S39 H40 S45 Y46 R47 G234 P255 S256S39-S43 WeakPolarHBondContact O-CB 3.38Å; S39-S43 PolarHBondContact O-N 3.34Å; H40-S43 PolarHBondContact O-N 3.49Å; S43-S45 PolarHBondContact O-N 3.14Å; S43-Y46 PolarHBondContact O-N 2.87Å; S43-R47 VanDerWaalsContact O-CB 3.31Å; S43-R47 WeakPolarHBondContact O-CB 3.13Å; S43-R47 PolarHBondContact O-N 3.15Å; S43-G234 PolarHBondContact OG-O 3.16Å; S43-P255 WeakPolarHBondContact CB-O 3.03Å; S43-P255 PolarHBondContact OG-O 3.08Å; S43-S256 WeakPolarHBondContact OG-CA 2.9Å; S43-S256 WeakPolarHBondContact OG-CB 2.81Å; S43-S256 PolarHBondContact OG-OG 3.17Å
44Y88.4Confident82.1Confident165 Ų16588.8 Ų88.865%0.64742%0.42SS*.Hα-helixtrans-59.9-47.5176.5-178.5-93.1000111.9H40 M41 Y46 R47 Y48H40-Y44 WeakPolarHBondContact O-CB 3.27Å; H40-Y44 PolarHBondContact O-N 2.87Å; M41-Y44 PolarHBondContact O-N 2.97Å; Y44-Y46 PolarHBondContact O-N 2.89Å; Y44-R47 PolarHBondContact O-N 3.36Å; Y44-Y48 PolarHBondContact O-N 3.29Å
45S86.3Confident82.2Confident54 Ų5486.3 Ų86.338%0.37841%0.405SS..Hα-helixtrans-61.9-45.3178.4-56.50000111.3M41 R42 S43 R47 Y48 L49M41-S45 WeakPolarHBondContact O-CB 3.1Å; M41-S45 PolarHBondContact O-N 3.19Å; M41-S45 PolarHBondContact O-OG 3.18Å; R42-S45 PolarHBondContact O-N 3.05Å; S43-S45 PolarHBondContact O-N 3.14Å; S45-R47 PolarHBondContact O-N 2.04Å; S45-Y48 PolarHBondContact O-N 2.98Å; S45-L49 VanDerWaalsContact O-CB 3.24Å; S45-L49 WeakPolarHBondContact O-CB 3.43Å; S45-L49 VanDerWaalsContact O-CG 3.29Å; S45-L49 WeakPolarHBondContact O-CG 3.48Å; S45-L49 PolarHBondContact O-N 3.26Å
46Y86.2Confident82.1Confident26 Ų2681 Ų8110%0.10238%0.377CS..Hα-helixtrans-59.7-47.6176.7-176.4-90.6000111.8R42 S43 Y44 Y48 I50 N51 R52 W254 P255R42-Y46 VanDerWaalsContact O-CB 3.31Å; R42-Y46 WeakPolarHBondContact O-CB 3.39Å; R42-Y46 PolarHBondContact O-N 2.95Å; S43-Y46 PolarHBondContact O-N 2.87Å; Y44-Y46 PolarHBondContact O-N 2.89Å; Y46-Y48 VanDerWaalsContact C-N 3.3Å; Y46-Y48 PolarHBondContact O-N 2.93Å; Y46-I50 HydrophobicContact CD2-CB 4.02Å; Y46-I50 HydrophobicContact CD2-CD1 3.71Å; Y46-I50 HydrophobicContact CD2-CG1 4.33Å; Y46-I50 HydrophobicContact CD2-CG2 4.34Å; Y46-I50 HydrophobicContact CE1-CG2 4.49Å; Y46-I50 HydrophobicContact CE2-CB 3.87Å; Y46-I50 HydrophobicContact CE2-CD1 3.78Å; Y46-I50 HydrophobicContact CE2-CG1 4.4Å; Y46-I50 HydrophobicContact CE2-CG2 3.67Å; Y46-I50 HydrophobicContact CG-CB 4.43Å; Y46-I50 CarbonylContact O-C 3.56Å; Y46-I50 WeakPolarHBondContact O-CA 3.48Å; Y46-I50 WeakPolarHBondContact O-CB 3.18Å; Y46-I50 PolarHBondContact O-N 2.99Å; Y46-N51 PolarHBondContact O-N 2.95Å; Y46-R52 PolarHBondContact OH-O 3.42Å; Y46-W254 AromaticContact CZ-CD1 3.63Å; Y46-P255 HydrophobicContact CD1-CG 4.13Å; Y46-P255 HydrophobicContact CD2-CG 3.36Å; Y46-P255 HydrophobicContact CE2-CG 4.11Å; Y46-P255 HydrophobicContact CG-CG 3.39Å
47R85.5Confident81.5Confident64 Ų6481 Ų8124%0.24238%0.381CS..Hα-helixtrans-60.8-38.7179.6-178.8-171.5177.881.5-3.7112.3S43 Y44 S45 N51 D259S43-R47 VanDerWaalsContact O-CB 3.31Å; S43-R47 WeakPolarHBondContact O-CB 3.13Å; S43-R47 PolarHBondContact O-N 3.15Å; Y44-R47 PolarHBondContact O-N 3.36Å; S45-R47 PolarHBondContact O-N 2.04Å; R47-N51 WeakPolarHBondContact O-CB 3.31Å; R47-D259 IonicContact CZ-OD1 3.1Å; R47-D259 IonicContact CZ-OD2 3.54Å; R47-D259 IonicContact NH1-OD1 2.58Å; R47-D259 PolarHBondContact NH1-OD1 3.26Å; R47-D259 IonicContact NH1-OD2 3.54Å; R47-D259 IonicContact NH2-OD1 3.01Å; R47-D259 PolarHBondContact NH2-OD1 3.49Å; R47-D259 IonicContact NH2-OD2 2.68Å; R47-D259 PolarHBondContact NH2-OD2 3.46Å
48Y82.8Confident80.5Confident183 Ų18382.1 Ų82.172%0.71838%0.384SS*.Hα-helixtrans-81-41.8-178.7-172.9-98.7000112.6Y44 S45 Y46Y44-Y48 PolarHBondContact O-N 3.29Å; S45-Y48 PolarHBondContact O-N 2.98Å; Y46-Y48 VanDerWaalsContact C-N 3.3Å; Y46-Y48 PolarHBondContact O-N 2.93Å
49L83.6Confident79.2Confident134 Ų13484.8 Ų84.870%0.70240%0.395SS*.Hα-helixtrans-90.6-35.4-171-62172.4000113.8S45S45-L49 VanDerWaalsContact O-CB 3.24Å; S45-L49 WeakPolarHBondContact O-CB 3.43Å; S45-L49 VanDerWaalsContact O-CG 3.29Å; S45-L49 WeakPolarHBondContact O-CG 3.48Å; S45-L49 PolarHBondContact O-N 3.26Å
50I82.5Confident76.9Confident83 Ų8387.7 Ų87.743%0.42642%0.416SS..THydrogen-bonded Turntrans-111.5-56.1-171.9-58.9178.3000109.8Y46 R52Y46-I50 HydrophobicContact CD2-CB 4.02Å; Y46-I50 HydrophobicContact CD2-CD1 3.71Å; Y46-I50 HydrophobicContact CD2-CG1 4.33Å; Y46-I50 HydrophobicContact CD2-CG2 4.34Å; Y46-I50 HydrophobicContact CE1-CG2 4.49Å; Y46-I50 HydrophobicContact CE2-CB 3.87Å; Y46-I50 HydrophobicContact CE2-CD1 3.78Å; Y46-I50 HydrophobicContact CE2-CG1 4.4Å; Y46-I50 HydrophobicContact CE2-CG2 3.67Å; Y46-I50 HydrophobicContact CG-CB 4.43Å; Y46-I50 CarbonylContact O-C 3.56Å; Y46-I50 WeakPolarHBondContact O-CA 3.48Å; Y46-I50 WeakPolarHBondContact O-CB 3.18Å; Y46-I50 PolarHBondContact O-N 2.99Å; I50-R52 HydrophobicContact CG2-CB 3.93Å; I50-R52 HydrophobicContact CG2-CG 4.43Å; I50-R52 WeakPolarHBondContact O-CG 3.45Å; I50-R52 PolarHBondContact O-N 3.32Å
51N80.1Confident74.7Confident72 Ų7289.3 Ų89.339%0.38544%0.437SS..  trans44.726.7-178.5-155.312.7000115.3Y46 R47 Y53Y46-N51 PolarHBondContact O-N 2.95Å; R47-N51 WeakPolarHBondContact O-CB 3.31Å; N51-Y53 WeakPolarHBondContact OD1-CE2 3.18Å
52R78.3Confident72.3Confident154 Ų15488.9 Ų88.958%0.58145%0.446SS*.  trans-98.5136.3-179-79.6-174.5-115.7-168.7-1109.7Y46 I50Y46-R52 PolarHBondContact OH-O 3.42Å; I50-R52 HydrophobicContact CG2-CB 3.93Å; I50-R52 HydrophobicContact CG2-CG 4.43Å; I50-R52 WeakPolarHBondContact O-CG 3.45Å; I50-R52 PolarHBondContact O-N 3.32Å
53Y77.6Confident70Confident16 Ų1684.6 Ų84.66%0.06345%0.45CS..  trans-127.151.1177.1-63.8-93000107.9N51 F55 L56 S256 Y257 P258N51-Y53 WeakPolarHBondContact OD1-CE2 3.18Å; Y53-F55 AromaticContact CD1-CE1 3.67Å; Y53-F55 HydrophobicContact CD1-CE1 3.67Å; Y53-F55 HydrophobicContact CD1-CZ 4.03Å; Y53-F55 HydrophobicContact CG-CE1 4.24Å; Y53-F55 PolarHBondContact O-N 2.88Å; Y53-L56 HydrophobicContact CG-CD1 4.34Å; Y53-L56 VanDerWaalsContact O-CB 3.31Å; Y53-L56 WeakPolarHBondContact O-CB 3.35Å; Y53-L56 PolarHBondContact O-N 3.25Å; Y53-S256 WeakPolarHBondContact CE1-O 3.27Å; Y53-Y257 VanDerWaalsContact OH-C 3.29Å; Y53-Y257 PolarHBondContact OH-O 3.44Å; Y53-P258 HydrophobicContact CD1-CG 3.74Å; Y53-P258 HydrophobicContact CE1-CB 4.32Å; Y53-P258 HydrophobicContact CE1-CG 3.66Å; Y53-P258 VanDerWaalsContact CE1-N 3.33Å; Y53-P258 HydrophobicContact CG-CG 4.37Å
54D71.2Confident67.7Low91 Ų9190.1 Ų90.149%0.48749%0.488SS..G310 helixtrans-60.5-16.7-170.5-56.7-22.6000112.5L56 N57D54-L56 VanDerWaalsContact C-N 3.28Å; D54-L56 PolarHBondContact O-N 3.45Å; D54-N57 WeakPolarHBondContact O-CB 3.25Å; D54-N57 PolarHBondContact O-N 2.93Å; D54-N57 PolarHBondContact O-ND2 2.93Å; D54-N57 PolarHBondContact O-OD1 3.36Å
55F72.6Confident65.3Low33 Ų3388 Ų8815%0.14549%0.492CS..G310 helixtrans-73.1-18.1172.470.9-84.4000114.7Y53 N57 Y252 W254 M296Y53-F55 AromaticContact CD1-CE1 3.67Å; Y53-F55 HydrophobicContact CD1-CE1 3.67Å; Y53-F55 HydrophobicContact CD1-CZ 4.03Å; Y53-F55 HydrophobicContact CG-CE1 4.24Å; Y53-F55 PolarHBondContact O-N 2.88Å; F55-N57 PolarHBondContact O-N 3.39Å; F55-N57 VanDerWaalsContact O-N 3.15Å; F55-Y252 HydrophobicContact CE1-CE2 4.21Å; F55-Y252 HydrophobicContact CE2-CD2 4.47Å; F55-Y252 AromaticContact CE2-CE2 3.86Å; F55-Y252 HydrophobicContact CE2-CE2 3.86Å; F55-Y252 HydrophobicContact CZ-CD2 4.36Å; F55-Y252 AromaticContact CZ-CE2 3.4Å; F55-Y252 HydrophobicContact CZ-CE2 3.4Å; F55-Y252 VanDerWaalsContact CZ-CE2 3.4Å; F55-Y252 AromaticContact CZ-CZ 3.8Å; F55-W254 HydrophobicContact CB-CE3 4.4Å; F55-W254 HydrophobicContact CB-CH2 3.15Å; F55-W254 HydrophobicContact CB-CZ2 3.67Å; F55-W254 HydrophobicContact CB-CZ3 3.5Å; F55-W254 VanDerWaalsContact CB-CZ3 3.5Å; F55-W254 AromaticContact CD1-CD2 3.41Å; F55-W254 HydrophobicContact CD1-CD2 3.41Å; F55-W254 VanDerWaalsContact CD1-CD2 3.41Å; F55-W254 AromaticContact CD1-CE2 3.48Å; F55-W254 VanDerWaalsContact CD1-CE2 3.48Å; F55-W254 AromaticContact CD1-CE3 3.23Å; F55-W254 HydrophobicContact CD1-CE3 3.23Å; F55-W254 HydrophobicContact CD1-CG 4.36Å; F55-W254 AromaticContact CD1-CH2 3.47Å; F55-W254 HydrophobicContact CD1-CH2 3.47Å; F55-W254 VanDerWaalsContact CD1-CH2 3.47Å; F55-W254 AromaticContact CD1-CZ2 3.53Å; F55-W254 HydrophobicContact CD1-CZ2 3.53Å; F55-W254 AromaticContact CD1-CZ3 3.23Å; F55-W254 HydrophobicContact CD1-CZ3 3.23Å; F55-W254 HydrophobicContact CD2-CE3 4.28Å; F55-W254 HydrophobicContact CD2-CH2 4.38Å; F55-W254 AromaticContact CD2-CZ3 3.82Å; F55-W254 HydrophobicContact CD2-CZ3 3.82Å; F55-W254 AromaticContact CE1-CD2 3.56Å; F55-W254 HydrophobicContact CE1-CD2 3.56Å; F55-W254 AromaticContact CE1-CE3 3.38Å; F55-W254 HydrophobicContact CE1-CE3 3.38Å; F55-W254 HydrophobicContact CE1-CG 4.16Å; F55-W254 HydrophobicContact CE1-CH2 4.44Å; F55-W254 AromaticContact CE1-CZ3 3.83Å; F55-W254 HydrophobicContact CE1-CZ3 3.83Å; F55-W254 HydrophobicContact CE2-CE3 4.41Å; F55-W254 HydrophobicContact CE2-CZ3 4.36Å; F55-W254 HydrophobicContact CG-CD2 4.29Å; F55-W254 AromaticContact CG-CE3 3.73Å; F55-W254 HydrophobicContact CG-CE3 3.73Å; F55-W254 AromaticContact CG-CH2 3.42Å; F55-W254 HydrophobicContact CG-CH2 3.42Å; F55-W254 VanDerWaalsContact CG-CH2 3.42Å; F55-W254 AromaticContact CG-CZ2 3.92Å; F55-W254 HydrophobicContact CG-CZ2 3.92Å; F55-W254 AromaticContact CG-CZ3 3.22Å; F55-W254 HydrophobicContact CG-CZ3 3.22Å; F55-W254 HydrophobicContact CZ-CE3 4.02Å; F55-W254 HydrophobicContact CZ-CZ3 4.39Å; F55-M296 HydrophobicContact CE2-CE 3.94Å; F55-M296 HydrophobicContact CE2-SD 4.45Å
56L71.7Confident63.1Low11 Ų1191.3 Ų91.36%0.05851%0.51CS..G310 helixtrans-749.4171.2-60.3179.8000111.9Y53 D54 I58 P258 L283 M296 K299 V300Y53-L56 HydrophobicContact CG-CD1 4.34Å; Y53-L56 VanDerWaalsContact O-CB 3.31Å; Y53-L56 WeakPolarHBondContact O-CB 3.35Å; Y53-L56 PolarHBondContact O-N 3.25Å; D54-L56 VanDerWaalsContact C-N 3.28Å; D54-L56 PolarHBondContact O-N 3.45Å; L56-I58 PolarHBondContact O-N 3.43Å; L56-I58 VanDerWaalsContact O-N 3.16Å; L56-P258 HydrophobicContact CD1-CG 4.3Å; L56-L283 HydrophobicContact CD2-CD2 4.1Å; L56-M296 HydrophobicContact CD1-CB 4.49Å; L56-M296 HydrophobicContact CD2-CB 3.72Å; L56-M296 HydrophobicContact CD2-CE 3.59Å; L56-M296 HydrophobicContact CD2-CG 3.86Å; L56-M296 HydrophobicContact CD2-SD 4.46Å; L56-K299 HydrophobicContact CD1-CB 3.96Å; L56-K299 HydrophobicContact CD1-CG 3.81Å; L56-V300 HydrophobicContact CB-CG2 3.89Å
57N64.3Low61Low113 Ų11393.5 Ų93.560%0.60453%0.529SS*.  trans-49.4121.9174.9-81.8-14.4000110.9D54 F55D54-N57 WeakPolarHBondContact O-CB 3.25Å; D54-N57 PolarHBondContact O-N 2.93Å; D54-N57 PolarHBondContact O-ND2 2.93Å; D54-N57 PolarHBondContact O-OD1 3.36Å; F55-N57 PolarHBondContact O-N 3.39Å; F55-N57 VanDerWaalsContact O-N 3.15Å
58I61Low59.2Low83 Ų83100.6 Ų100.643%0.42656%0.556SS.*  trans-62.6150.8175-61.1162.9000108.3L56 S60 V282 V300L56-I58 PolarHBondContact O-N 3.43Å; L56-I58 VanDerWaalsContact O-N 3.16Å; I58-S60 PolarHBondContact O-N 3.39Å; I58-V282 HydrophobicContact CG2-CB 4.3Å; I58-V282 HydrophobicContact CG2-CG2 4.47Å; I58-V300 HydrophobicContact CD1-CG1 3.93Å; I58-V300 HydrophobicContact CG1-CG1 3.77Å
59I55.5Low57.9Low102 Ų10295.9 Ų95.952%0.52355%0.549SS..  trans-5691.3165.6-58.2168.4000108.9N284I59-N284 WeakPolarHBondContact CD1-OD1 3.48Å; I59-N284 WeakPolarHBondContact CG1-OD1 3.35Å
60S39.1Very low56.9Low94 Ų9493.9 Ų93.966%0.65754%0.542SS*.  trans-104.293.6164.5-65.60000106.4I58 S62I58-S60 PolarHBondContact O-N 3.39Å; S60-S62 PolarHBondContact O-N 2.81Å
61S40.5Very low56.6Low119 Ų11995.5 Ų95.583%0.83256%0.556SS**SBendtrans35.369.5157.258.40000116.5
62S35.1Very low57Low113 Ų11395.3 Ų95.379%0.7955%0.551SS**  trans-166.9108.6159.1171.10000111.3S60S60-S62 PolarHBondContact O-N 2.81Å
63G39.1Very low57.7Low65 Ų6591.8 Ų91.867%0.6755%0.548SS*.SBendtrans56.189.4146.800000119.3
64S39.9Very low58.5Low117 Ų11794 Ų9482%0.81857%0.565SS**  trans51.377.2144.4660000119.1
65V39.2Very low59.7Low121 Ų12193.5 Ų93.573%0.73356%0.562SS**  trans-135.498.2133.1-177.90000106.6S67V65-S67 PolarHBondContact O-N 3.3Å
66V39.2Very low60.9Low124 Ų12492.6 Ų92.675%0.75256%0.558SS**  trans-67.799.1170.9177.40000106.5R68V66-R68 HydrophobicContact CG1-CG 4.23Å; V66-R68 PolarHBondContact O-N 2.86Å
67S42.1Very low62.1Low71 Ų7194.2 Ų94.250%0.49757%0.567SS.*  trans-60.693.8156177.20000105.9V65 S69V65-S67 PolarHBondContact O-N 3.3Å; S67-S69 VanDerWaalsContact C-N 3.32Å; S67-S69 PolarHBondContact O-N 3.11Å
68R48.5Very low63.6Low214 Ų21490 Ų9081%0.80854%0.544SS*.  trans-63.7100.7172.9-115.5176161144-6105.2V66 V70V66-R68 HydrophobicContact CG1-CG 4.23Å; V66-R68 PolarHBondContact O-N 2.86Å; R68-V70 VanDerWaalsContact C-N 3.3Å; R68-V70 WeakPolarHBondContact O-CG2 3.3Å; R68-V70 PolarHBondContact O-N 3.29Å
69S54.1Low65.2Low83 Ų8388.4 Ų88.458%0.5854%0.539SS*.  trans-51.8102.2162.8175.50000106.6S67 T71S67-S69 VanDerWaalsContact C-N 3.32Å; S67-S69 PolarHBondContact O-N 3.11Å; S69-T71 VanDerWaalsContact C-N 3.29Å; S69-T71 PolarHBondContact O-N 3.12Å; S69-T71 PolarHBondContact O-OG1 3.41Å
70V63.1Low66.9Low92 Ų9285.8 Ų85.856%0.55853%0.53SS*.  trans-71.995.1177.7-179.20000106.1R68 Y72R68-V70 VanDerWaalsContact C-N 3.3Å; R68-V70 WeakPolarHBondContact O-CG2 3.3Å; R68-V70 PolarHBondContact O-N 3.29Å; V70-Y72 HydrophobicContact CB-CE2 4.19Å; V70-Y72 HydrophobicContact CG1-CD1 4.33Å; V70-Y72 HydrophobicContact CG1-CD2 4.28Å; V70-Y72 HydrophobicContact CG1-CE1 3.79Å; V70-Y72 HydrophobicContact CG1-CE2 3.72Å; V70-Y72 VanDerWaalsContact CG1-CZ 3.46Å; V70-Y72 WeakPolarHBondContact O-CD2 3.14Å; V70-Y72 PolarHBondContact O-N 3.47Å
71T77.2Confident69.4Low117 Ų11783.2 Ų83.272%0.71851%0.507SS*.  trans-77.3110.8176.7-51.30000108.3S69S69-T71 VanDerWaalsContact C-N 3.29Å; S69-T71 PolarHBondContact O-N 3.12Å; S69-T71 PolarHBondContact O-OG1 3.41Å
72Y87.9Confident71.7Confident68 Ų6877.6 Ų77.627%0.26747%0.467SS..PPolyproline II helixtrans-85.4130.9173.3-66.4-74.6000110.2V70 D166 F167 T176V70-Y72 HydrophobicContact CB-CE2 4.19Å; V70-Y72 HydrophobicContact CG1-CD1 4.33Å; V70-Y72 HydrophobicContact CG1-CD2 4.28Å; V70-Y72 HydrophobicContact CG1-CE1 3.79Å; V70-Y72 HydrophobicContact CG1-CE2 3.72Å; V70-Y72 VanDerWaalsContact CG1-CZ 3.46Å; V70-Y72 WeakPolarHBondContact O-CD2 3.14Å; V70-Y72 PolarHBondContact O-N 3.47Å; Y72-D166 WeakPolarHBondContact CD1-O 3.43Å; Y72-F167 HydrophobicContact CD1-CB 3.66Å; Y72-F167 HydrophobicContact CD2-CB 4.03Å; Y72-F167 HydrophobicContact CD2-CD1 4.2Å; Y72-F167 HydrophobicContact CD2-CG 4.45Å; Y72-F167 HydrophobicContact CE1-CB 3.53Å; Y72-F167 HydrophobicContact CE2-CB 3.92Å; Y72-F167 HydrophobicContact CG-CB 3.89Å; Y72-F167 HydrophobicContact CG-CD1 4.27Å; Y72-T176 HydrophobicContact CD2-CG2 3.54Å; Y72-T176 HydrophobicContact CE2-CG2 3.49Å; Y72-T176 VanDerWaalsContact CE2-CG2 3.49Å
73P92.6Very high74Confident81 Ų8179.2 Ų79.253%0.52646%0.456SS..PPolyproline II helixtrans-55.8141.1172.2-2533.7000111.6Q165 D166P73-Q165 WeakPolarHBondContact O-CA 3.12Å; P73-D166 PolarHBondContact O-N 3.04Å
74C94Very high75.2Confident63 Ų6378.6 Ų78.643%0.42645%0.445SS..EExtended strand (participates in β ladder)trans-81.7127.3173.1-1490000109.4I76 Q164C74-I76 PolarHBondContact SG-O 3.21Å; C74-Q164 PolarHBondContact SG-O 3.24Å; C74-Q164 VanDerWaalsContact SG-O 3.41Å
75L96.9Very high75.8Confident79 Ų7977.8 Ų77.841%0.41443%0.428SS..EExtended strand (participates in β ladder)trans-96.5-36.6178.8-59.8179.4000112.1V138 Q164 D166L75-V138 HydrophobicContact CD1-CG1 3.46Å; L75-V138 VanDerWaalsContact CD1-CG1 3.46Å; L75-Q164 HydrophobicContact CB-CB 4.29Å; L75-Q164 HydrophobicContact CB-CG 4.35Å; L75-Q164 HydrophobicContact CD1-CG 4.3Å; L75-Q164 PolarHBondContact N-O 3.13Å; L75-D166 HydrophobicContact CD1-CB 4.01Å; L75-D166 HydrophobicContact CD2-CB 4.16Å; L75-D166 HydrophobicContact CG-CB 4.08Å
76I97.8Very high76.3Confident14 Ų1479.5 Ų79.57%0.07243%0.433CS..EExtended strand (participates in β ladder)trans-137.4132.6177.6-56.1178.4000107.5C74 L152 D156 L162 I163 Q164C74-I76 PolarHBondContact SG-O 3.21Å; I76-L152 HydrophobicContact CD1-CB 4.43Å; I76-D156 HydrophobicContact CD1-CB 4.49Å; I76-D156 HydrophobicContact CG2-CB 4.24Å; I76-D156 VanDerWaalsContact CG2-OD1 3.3Å; I76-D156 WeakPolarHBondContact CG2-OD1 3.39Å; I76-D156 VanDerWaalsContact CG2-OD2 3.23Å; I76-D156 WeakPolarHBondContact CG2-OD2 3.12Å; I76-L162 HydrophobicContact CG2-CB 4.13Å; I76-L162 WeakPolarHBondContact CG2-O 3.45Å; I76-I163 WeakPolarHBondContact O-CA 3.46Å; I76-Q164 HydrophobicContact CB-CB 3.9Å; I76-Q164 HydrophobicContact CD1-CB 4.26Å; I76-Q164 HydrophobicContact CG1-CB 4.07Å; I76-Q164 PolarHBondContact N-O 3.48Å; I76-Q164 PolarHBondContact O-N 2.87Å
77N97.1Very high76.7Confident46 Ų4677.6 Ų77.625%0.24644%0.439CS..  trans-155.6151.4-177.2-164.213.6000112W184N77-W184 PolarHBondContact OD1-NE1 3.48Å
78H95.9Very high77.2Confident23 Ų2380.8 Ų80.811%0.10644%0.444CS..  trans-132.667.7179.9-65-62.3000112.5S80 K81 D156 E160 L162 W184H78-S80 PolarHBondContact O-N 3.31Å; H78-K81 HydrophobicContact CB-CB 4.19Å; H78-K81 WeakPolarHBondContact O-CB 3.42Å; H78-K81 PolarHBondContact O-N 2.61Å; H78-D156 IonicContact CD2-OD1 2.69Å; H78-D156 IonicContact CE1-OD1 3.12Å; H78-D156 PolarHBondContact CE1-OD1 3.23Å; H78-D156 IonicContact CE1-OD2 2.71Å; H78-D156 PolarHBondContact CE1-OD2 2.91Å; H78-D156 IonicContact NE2-OD1 2.89Å; H78-D156 PolarHBondContact NE2-OD1 2.79Å; H78-D156 IonicContact NE2-OD2 3.57Å; H78-D156 PolarHBondContact NE2-OD2 3.09Å; H78-E160 VanDerWaalsContact CD2-C 3.46Å; H78-L162 PolarHBondContact CD2-O 3.15Å; H78-L162 PolarHBondContact NE2-O 3.44Å; H78-W184 WeakPolarHBondContact O-CZ2 3.23Å
79P93.6Very high77.4Confident51 Ų5176.5 Ų76.533%0.33144%0.437SS..THydrogen-bonded Turntrans-63.5-14.8-173.228.1-36.7000114.5R83 Y188P79-R83 PolarHBondContact O-NE 3.07Å; P79-Y188 HydrophobicContact CB-CD1 3.53Å; P79-Y188 HydrophobicContact CB-CE1 3.61Å; P79-Y188 HydrophobicContact CB-CG 4.19Å
80S91.2Very high77.7Confident46 Ų4674.5 Ų74.532%0.32242%0.417SS..THydrogen-bonded Turntrans-89.5-7.1175.155.60000114.2H78 C82 R83 E85H78-S80 PolarHBondContact O-N 3.31Å; S80-C82 PolarHBondContact O-N 2.88Å; S80-R83 WeakPolarHBondContact O-CB 3.18Å; S80-R83 PolarHBondContact O-N 3.41Å; S80-E85 PolarHBondContact OG-OE1 2.91Å
81K91.8Very high77.7Confident41 Ų4175.1 Ų75.118%0.17842%0.416CS..THydrogen-bonded Turntrans-54.2-34.4-173.7-172.171.8168-164.90114.3H78 E119 R131 L133 E160 W184H78-K81 HydrophobicContact CB-CB 4.19Å; H78-K81 WeakPolarHBondContact O-CB 3.42Å; H78-K81 PolarHBondContact O-N 2.61Å; K81-E119 WeakPolarHBondContact CE-OE1 3.5Å; K81-E119 IonicContact NZ-OE1 3.84Å; K81-R131 WeakPolarHBondContact O-CD 3.4Å; K81-R131 PolarHBondContact O-NE 2.95Å; K81-R131 VanDerWaalsContact O-NE 3.09Å; K81-L133 HydrophobicContact CG-CD1 4.47Å; K81-L133 HydrophobicContact CG-CD2 4.09Å; K81-L133 HydrophobicContact CG-CG 4.4Å; K81-E160 PolarHBondContact NZ-O 3.07Å; K81-W184 HydrophobicContact CB-CH2 4.11Å; K81-W184 HydrophobicContact CB-CZ2 4.37Å
82C90.3Very high78.1Confident0 Ų073.6 Ų73.60%040%0.404CS..THydrogen-bonded Turntrans-100.21.5176.3-66.30000114.1S80 C189 Q191S80-C82 PolarHBondContact O-N 2.88Å; C82-C189 HydrophobicContact CB-CB 3.62Å; C82-C189 WeakPolarHBondContact CB-SG 3.31Å; C82-C189 WeakPolarHBondContact SG-CB 3.48Å; C82-C189 CovalentContact SG-SG 2.04Å; C82-C189 PolarHBondContact SG-SG 3.35Å; C82-Q191 PolarHBondContact O-NE2 3.36Å
83R82.9Confident78.3Confident147 Ų14770.3 Ų70.356%0.55539%0.391SS*.SBendtrans-88.2151.7177.4-61.5-176.1-179-178.2-3.3109.6P79 S80 E85P79-R83 PolarHBondContact O-NE 3.07Å; S80-R83 WeakPolarHBondContact O-CB 3.18Å; S80-R83 PolarHBondContact O-N 3.41Å; R83-E85 PolarHBondContact O-N 3.14Å
84A63.2Low78.5Confident53 Ų5366.9 Ų66.944%0.43837%0.368SS..  trans-62.6119.8173.200000110.2
85E53.4Low78.7Confident99 Ų9963.9 Ų63.946%0.46335%0.348SS..  trans-108.9130.1165.8-76-175.5-178.600108.7S80 R83 G87S80-E85 PolarHBondContact OG-OE1 2.91Å; R83-E85 PolarHBondContact O-N 3.14Å; E85-G87 PolarHBondContact O-N 3.03Å
86N50Low78.7Confident158 Ų15860.1 Ų60.185%0.84533%0.328SS*.THydrogen-bonded Turntrans61.941.7169.7-54.6-36.9000116.2K88N86-K88 PolarHBondContact O-N 3.31Å; N86-K88 VanDerWaalsContact O-N 3.1Å
87G47.7Very low78.8Confident84 Ų8459.5 Ų59.587%0.86633%0.325SS*.THydrogen-bonded Turntrans69.38.7171.900000115.1E85E85-G87 PolarHBondContact O-N 3.03Å
88K52.3Low78.9Confident138 Ų13857.3 Ų57.360%0.631%0.313SS*.  trans-84.7112.5162.7-69.6-177.1-1781790107.2N86 W90N86-K88 PolarHBondContact O-N 3.31Å; N86-K88 VanDerWaalsContact O-N 3.1Å; K88-W90 VanDerWaalsContact C-N 3.28Å; K88-W90 HydrophobicContact CB-CD2 4.38Å; K88-W90 HydrophobicContact CB-CZ2 4.35Å; K88-W90 HydrophobicContact CD-CZ2 3.98Å; K88-W90 VanDerWaalsContact O-CD1 3.24Å; K88-W90 PolarHBondContact O-N 3.33Å
89D52Low79Confident124 Ų12456.2 Ų56.266%0.66331%0.308SS*.  trans-69.986.4-178.4-153.1-2.7000109.1D91D89-D91 PolarHBondContact O-N 3.47Å; D89-D91 WeakPolarHBondContact OD1-CB 3.45Å; D89-D91 VanDerWaalsContact OD1-CG 3.27Å
90W61.1Low79.2Confident41 Ų4154.1 Ų54.116%0.15529%0.294CS..  trans-87.816175.8-59121.8000111.8K88 D92 V93 W123K88-W90 VanDerWaalsContact C-N 3.28Å; K88-W90 HydrophobicContact CB-CD2 4.38Å; K88-W90 HydrophobicContact CB-CZ2 4.35Å; K88-W90 HydrophobicContact CD-CZ2 3.98Å; K88-W90 VanDerWaalsContact O-CD1 3.24Å; K88-W90 PolarHBondContact O-N 3.33Å; W90-D92 PolarHBondContact O-N 3.09Å; W90-D92 VanDerWaalsContact O-N 3.16Å; W90-V93 WeakPolarHBondContact O-CG2 3.41Å; W90-W123 HydrophobicContact CE3-CZ3 4.31Å; W90-W123 HydrophobicContact CH2-CD2 4.27Å; W90-W123 HydrophobicContact CH2-CE3 4.31Å; W90-W123 HydrophobicContact CZ3-CD2 4.06Å; W90-W123 AromaticContact CZ3-CE3 3.65Å; W90-W123 HydrophobicContact CZ3-CE3 3.65Å; W90-W123 HydrophobicContact CZ3-CH2 4.31Å; W90-W123 AromaticContact CZ3-CZ3 3.79Å; W90-W123 HydrophobicContact CZ3-CZ3 3.79Å
91D62.5Low79.5Confident104 Ų10452 Ų5256%0.55628%0.279SS*.  trans-64.2-17.4179.2-74.5-2.5000112.1D89D89-D91 PolarHBondContact O-N 3.47Å; D89-D91 WeakPolarHBondContact OD1-CB 3.45Å; D89-D91 VanDerWaalsContact OD1-CG 3.27Å
92D85Confident79.8Confident85 Ų8551 Ų5146%0.45528%0.278SS..  trans-107.365.8177.5-16018.6000113.6W90 L94 R193W90-D92 PolarHBondContact O-N 3.09Å; W90-D92 VanDerWaalsContact O-N 3.16Å; D92-L94 PolarHBondContact O-N 2.75Å; D92-R193 IonicContact OD1-CZ 3.16Å; D92-R193 IonicContact OD1-NE 2.73Å; D92-R193 PolarHBondContact OD1-NE 2.89Å; D92-R193 IonicContact OD1-NH2 2.83Å; D92-R193 PolarHBondContact OD1-NH2 3.45Å; D92-R193 IonicContact OD2-CZ 3.66Å; D92-R193 IonicContact OD2-NE 3.94Å; D92-R193 IonicContact OD2-NH2 2.81Å; D92-R193 PolarHBondContact OD2-NH2 2.86Å
93V93.8Very high80.1Confident0 Ų051.3 Ų51.30%028%0.279CS..EExtended strand (participates in β ladder)trans-70.9108.5170.3179.90000109.4W90 R131 A192 R193W90-V93 WeakPolarHBondContact O-CG2 3.41Å; V93-R131 HydrophobicContact CG1-CG 4.18Å; V93-R131 HydrophobicContact CG2-CG 4.25Å; V93-A192 HydrophobicContact CB-CB 4.2Å; V93-A192 HydrophobicContact CG1-CB 3.94Å; V93-A192 WeakPolarHBondContact O-CA 3.29Å; V93-R193 PolarHBondContact O-N 3.41Å
94L95.7Very high80.8Confident9 Ų948.4 Ų48.45%0.04727%0.272CS..EExtended strand (participates in β ladder)trans-66.8-47.5175.2177.566.9000110.7D92 V128 S129 F194 V210 Q214 L217D92-L94 PolarHBondContact O-N 2.75Å; L94-V128 HydrophobicContact CB-CB 4.23Å; L94-V128 HydrophobicContact CD2-CB 3.72Å; L94-V128 HydrophobicContact CD2-CG1 3.74Å; L94-V128 HydrophobicContact CD2-CG2 3.83Å; L94-S129 WeakPolarHBondContact CB-O 3.38Å; L94-S129 PolarHBondContact N-O 2.84Å; L94-F194 HydrophobicContact CD1-CD2 3.93Å; L94-F194 HydrophobicContact CD1-CE2 3.99Å; L94-F194 WeakPolarHBondContact O-CD2 3.42Å; L94-F194 PolarHBondContact O-N 2.55Å; L94-V210 HydrophobicContact CD2-CG1 4.2Å; L94-Q214 HydrophobicContact CD2-CG 4.39Å; L94-L217 HydrophobicContact CD1-CD1 3.5Å; L94-L217 VanDerWaalsContact CD1-CD1 3.5Å
95L97.9Very high82.5Confident0 Ų047.3 Ų47.30%026%0.259CS..EExtended strand (participates in β ladder)trans-136.6122.5-174.1-175.166.7000112.1S129 V130 R131 F194 M196 M206 L209 L213L95-S129 PolarHBondContact N-O 2.85Å; L95-V130 HydrophobicContact CB-CG1 4.24Å; L95-V130 HydrophobicContact CB-CG2 3.92Å; L95-V130 HydrophobicContact CD2-CG1 4.31Å; L95-V130 HydrophobicContact CG-CG1 4.45Å; L95-V130 VanDerWaalsContact O-CA 3.29Å; L95-V130 WeakPolarHBondContact O-CA 3.29Å; L95-R131 PolarHBondContact O-N 2.91Å; L95-F194 WeakPolarHBondContact CA-O 3.35Å; L95-F194 HydrophobicContact CD1-CB 3.76Å; L95-M196 HydrophobicContact CD1-CB 3.79Å; L95-M196 HydrophobicContact CD2-CB 4.38Å; L95-M196 HydrophobicContact CG-CB 4.39Å; L95-M206 HydrophobicContact CD2-SD 4.32Å; L95-L209 HydrophobicContact CD2-CD2 3.8Å; L95-L213 HydrophobicContact CD1-CD1 4.06Å; L95-L213 HydrophobicContact CD2-CD1 4.46Å
96L98.2Very high84.6Confident0 Ų047 Ų470%026%0.256CS..EExtended strand (participates in β ladder)trans-90.2115.2162.1-17763.1000109F98 R131 L133 W184 C189 A192 F194 L195 M196L96-F98 HydrophobicContact CD2-CD2 4.42Å; L96-F98 HydrophobicContact CD2-CE2 3.54Å; L96-F98 HydrophobicContact CD2-CZ 3.75Å; L96-F98 HydrophobicContact CG-CD2 4.36Å; L96-F98 HydrophobicContact CG-CE2 3.91Å; L96-F98 HydrophobicContact CG-CZ 4.15Å; L96-R131 HydrophobicContact CD1-CB 3.92Å; L96-L133 HydrophobicContact CD1-CD1 3.86Å; L96-W184 HydrophobicContact CD1-CZ3 4.04Å; L96-W184 HydrophobicContact CD2-CE3 4.26Å; L96-W184 HydrophobicContact CD2-CZ3 4.11Å; L96-C189 HydrophobicContact CD2-CB 3.88Å; L96-A192 HydrophobicContact CB-CB 3.92Å; L96-F194 PolarHBondContact N-O 3.43Å; L96-L195 HydrophobicContact CD2-CD1 4.43Å; L96-L195 CarbonylContact O-C 3.59Å; L96-L195 WeakPolarHBondContact O-CA 3.42Å; L96-M196 PolarHBondContact O-N 2.65Å
97L98.7Very high86.9Confident0 Ų047.7 Ų47.70%025%0.252CS..EExtended strand (participates in β ladder)trans-107.5105.9-174178.557.4000110.3V99 W116 V130 R131 L132 L133 M196 M206L97-V99 HydrophobicContact CG-CG2 4.41Å; L97-W116 HydrophobicContact CD1-CZ3 4.2Å; L97-W116 HydrophobicContact CD2-CE3 3.99Å; L97-W116 HydrophobicContact CD2-CZ3 3.74Å; L97-W116 HydrophobicContact CG-CZ3 4.25Å; L97-V130 HydrophobicContact CB-CG1 4.19Å; L97-V130 HydrophobicContact CD2-CG1 4.4Å; L97-R131 PolarHBondContact N-O 3.01Å; L97-L132 HydrophobicContact CD2-CD1 4.09Å; L97-L132 HydrophobicContact CG-CD1 4.04Å; L97-L132 WeakPolarHBondContact O-CA 3.37Å; L97-L133 PolarHBondContact O-N 2.94Å; L97-M196 HydrophobicContact CD1-CB 3.89Å; L97-M196 HydrophobicContact CD1-CG 3.77Å; L97-M196 HydrophobicContact CD1-SD 3.9Å; L97-M206 HydrophobicContact CD2-CE 3.7Å
98F98.7Very high89.3Confident0 Ų046.9 Ų46.90%022%0.223CC..EExtended strand (participates in β ladder)trans-93.5133.7171.2-72.4-62.3000111.6L96 L133 V135 I163 Q181 W184 L195 M196 T197 A198L96-F98 HydrophobicContact CD2-CD2 4.42Å; L96-F98 HydrophobicContact CD2-CE2 3.54Å; L96-F98 HydrophobicContact CD2-CZ 3.75Å; L96-F98 HydrophobicContact CG-CD2 4.36Å; L96-F98 HydrophobicContact CG-CE2 3.91Å; L96-F98 HydrophobicContact CG-CZ 4.15Å; F98-L133 WeakPolarHBondContact CA-O 3.41Å; F98-L133 HydrophobicContact CD1-CB 3.68Å; F98-L133 HydrophobicContact CD1-CD1 4.46Å; F98-L133 HydrophobicContact CE1-CB 3.71Å; F98-L133 HydrophobicContact CE1-CD1 3.71Å; F98-L133 HydrophobicContact CE1-CG 4.35Å; F98-L133 HydrophobicContact CZ-CD1 4.32Å; F98-V135 HydrophobicContact CD1-CG1 3.61Å; F98-V135 HydrophobicContact CE1-CG1 4.05Å; F98-V135 HydrophobicContact CG-CG1 4.43Å; F98-I163 HydrophobicContact CE1-CD1 3.72Å; F98-Q181 HydrophobicContact CB-CG 3.81Å; F98-Q181 HydrophobicContact CD1-CG 4.07Å; F98-Q181 HydrophobicContact CD2-CB 3.72Å; F98-Q181 HydrophobicContact CD2-CG 3.89Å; F98-Q181 HydrophobicContact CE2-CB 3.94Å; F98-Q181 HydrophobicContact CE2-CG 4.42Å; F98-Q181 VanDerWaalsContact CE2-O 3.29Å; F98-Q181 WeakPolarHBondContact CE2-O 3.48Å; F98-Q181 HydrophobicContact CG-CB 4.05Å; F98-Q181 HydrophobicContact CG-CG 3.67Å; F98-Q181 HydrophobicContact CZ-CB 4.46Å; F98-W184 HydrophobicContact CE1-CD2 4.43Å; F98-W184 HydrophobicContact CE1-CE3 4.16Å; F98-W184 HydrophobicContact CZ-CB 4.2Å; F98-W184 HydrophobicContact CZ-CD2 4.17Å; F98-W184 AromaticContact CZ-CE3 3.63Å; F98-W184 HydrophobicContact CZ-CE3 3.63Å; F98-W184 HydrophobicContact CZ-CG 4.43Å; F98-W184 HydrophobicContact CZ-CZ3 4.38Å; F98-L195 HydrophobicContact CD2-CD1 3.92Å; F98-L195 HydrophobicContact CD2-CD2 4.38Å; F98-L195 HydrophobicContact CD2-CG 4.05Å; F98-L195 HydrophobicContact CE2-CD1 3.74Å; F98-L195 HydrophobicContact CE2-CG 4.3Å; F98-M196 PolarHBondContact N-O 3.05Å; F98-T197 CarbonylContact O-C 3.43Å; F98-T197 WeakPolarHBondContact O-CA 3.31Å; F98-A198 PolarHBondContact O-N 3Å
99V98.6Very high91.5Very high0 Ų040.4 Ų40.40%019%0.194CC..EExtended strand (participates in β ladder)trans-118.3115.4174-178.40000109.7L97 S101 I112 W116 L132 L133 F134 V135 A198 D200L97-V99 HydrophobicContact CG-CG2 4.41Å; V99-S101 PolarHBondContact O-N 3.21Å; V99-I112 HydrophobicContact CG1-CD1 3.91Å; V99-W116 HydrophobicContact CG1-CH2 4.49Å; V99-W116 HydrophobicContact CG2-CH2 3.59Å; V99-W116 HydrophobicContact CG2-CZ3 3.89Å; V99-L132 HydrophobicContact CG2-CD1 3.63Å; V99-L133 PolarHBondContact N-O 2.58Å; V99-F134 HydrophobicContact CB-CD1 3.57Å; V99-F134 HydrophobicContact CB-CE1 3.78Å; V99-F134 HydrophobicContact CG1-CD1 3.76Å; V99-F134 HydrophobicContact CG1-CE1 3.79Å; V99-F134 HydrophobicContact CG2-CD1 4.4Å; V99-F134 HydrophobicContact CG2-CE1 4.19Å; V99-F134 WeakPolarHBondContact O-CA 3.45Å; V99-V135 PolarHBondContact O-N 3.14Å; V99-A198 CarbonylContact C-O 3.56Å; V99-A198 VanDerWaalsContact CA-O 3.31Å; V99-A198 WeakPolarHBondContact CA-O 3.49Å; V99-D200 HydrophobicContact CG1-CB 3.84Å
100K98.3Very high93.7Very high8 Ų835.9 Ų35.94%0.03517%0.169CC..EExtended strand (participates in β ladder)trans-69.3109.6173-71.5179.6-81.3159.70108.8V135 K177 A198 D199 D200 G263 D290K100-V135 HydrophobicContact CG-CG2 4.07Å; K100-K177 HydrophobicContact CB-CD 4.35Å; K100-K177 HydrophobicContact CG-CB 4.49Å; K100-K177 HydrophobicContact CG-CD 4.25Å; K100-A198 PolarHBondContact N-O 2.95Å; K100-D199 WeakPolarHBondContact CE-OD1 3.37Å; K100-D199 IonicContact NZ-OD1 3.69Å; K100-D199 PolarHBondContact NZ-OD1 3.16Å; K100-D200 PolarHBondContact O-N 2.87Å; K100-D200 VanDerWaalsContact O-N 3.14Å; K100-G263 PolarHBondContact NZ-O 3.31Å; K100-D290 IonicContact NZ-OD2 3.92Å; K100-D290 PolarHBondContact NZ-OD2 3.49Å
101S97.9Very high95.5Very high1 Ų134.3 Ų34.31%0.00717%0.165CC..  trans-127.1173.4179.8-167.70000111.8V99 R109 V135 M136 N169 K177 D200V99-S101 PolarHBondContact O-N 3.21Å; S101-R109 WeakPolarHBondContact OG-CG 3.3Å; S101-R109 PolarHBondContact OG-NH1 2.83Å; S101-V135 PolarHBondContact N-O 2.79Å; S101-V135 VanDerWaalsContact N-O 3.08Å; S101-M136 VanDerWaalsContact O-CB 3.3Å; S101-M136 WeakPolarHBondContact O-CB 3.47Å; S101-N169 PolarHBondContact O-OD1 2.78Å; S101-K177 PolarHBondContact O-NZ 3.29Å; S101-D200 VanDerWaalsContact CA-OD2 3.28Å; S101-D200 WeakPolarHBondContact CA-OD2 3.47Å; S101-D200 WeakPolarHBondContact CB-OD2 3.4Å; S101-D200 PolarHBondContact OG-OD2 3.48Å
102S97.6Very high97.3Very high21 Ų2129.3 Ų29.315%0.14714%0.138CC..  trans-119150.6175.8-59.60000110.2E104 N105 R109 N169S102-E104 WeakPolarHBondContact CB-OE1 3.45Å; S102-E104 WeakPolarHBondContact CB-OE2 3.49Å; S102-E104 PolarHBondContact O-N 2.86Å; S102-E104 VanDerWaalsContact O-N 3.09Å; S102-N105 WeakPolarHBondContact O-CB 3.34Å; S102-N105 PolarHBondContact O-N 3.1Å; S102-R109 PolarHBondContact O-NH1 2.96Å; S102-N169 WeakPolarHBondContact CB-ND2 3.32Å; S102-N169 PolarHBondContact OG-ND2 3.49Å
103P97.7Very high97.9Very high5 Ų526.4 Ų26.43%0.03212%0.121CC..THydrogen-bonded Turntrans-45.3-45.4-177.6-35.440.5000115.2N105 R109 G137 L152P103-N105 VanDerWaalsContact C-N 3.29Å; P103-N105 PolarHBondContact O-N 2.97Å; P103-R109 PolarHBondContact O-NH2 3.11Å; P103-R109 VanDerWaalsContact O-NH2 3.07Å; P103-G137 WeakPolarHBondContact CG-O 3.44Å; P103-L152 HydrophobicContact CB-CD1 3.83Å; P103-L152 HydrophobicContact CG-CD1 4.24Å
104E97.1Very high98.1Very high86 Ų8630.7 Ų30.740%0.40214%0.141SC..THydrogen-bonded Turntrans-70.1-17-178.265.9-84.7-161.300114.7S102 F106 Y139 L148S102-E104 WeakPolarHBondContact CB-OE1 3.45Å; S102-E104 WeakPolarHBondContact CB-OE2 3.49Å; S102-E104 PolarHBondContact O-N 2.86Å; S102-E104 VanDerWaalsContact O-N 3.09Å; E104-F106 PolarHBondContact O-N 3.35Å; E104-Y139 HydrophobicContact CB-CE2 4.5Å; E104-Y139 HydrophobicContact CG-CE2 4.48Å; E104-Y139 VanDerWaalsContact OE2-CD2 3.3Å; E104-Y139 WeakPolarHBondContact OE2-CD2 3.45Å; E104-L148 HydrophobicContact CB-CD1 4.49Å; E104-L148 HydrophobicContact CB-CD2 4.49Å
105N97.9Very high98.2Very high31 Ų3130.4 Ų30.417%0.16614%0.14CC..  trans-83.734.3-172.1-74-14.3000114.5S102 P103 K107 R108 R109 D200S102-N105 WeakPolarHBondContact O-CB 3.34Å; S102-N105 PolarHBondContact O-N 3.1Å; P103-N105 VanDerWaalsContact C-N 3.29Å; P103-N105 PolarHBondContact O-N 2.97Å; N105-K107 VanDerWaalsContact C-N 3.27Å; N105-K107 PolarHBondContact O-N 2.91Å; N105-R108 HydrophobicContact CB-CB 4.28Å; N105-R108 HydrophobicContact CB-CG 4.4Å; N105-R108 PolarHBondContact O-N 3.39Å; N105-R109 PolarHBondContact O-N 3.41Å; N105-R109 VanDerWaalsContact O-N 3.11Å; N105-D200 VanDerWaalsContact CB-OD2 3.29Å; N105-D200 WeakPolarHBondContact CB-OD2 3.14Å; N105-D200 PolarHBondContact ND2-OD1 3.25Å; N105-D200 PolarHBondContact ND2-OD2 3.06Å
106F98.1Very high98.2Very high92 Ų9230.5 Ų30.540%0.40414%0.14SC..Hα-helixtrans-49.9-46178.5176.4-93.3000112.5E104 R108 R109 Q110 E155E104-F106 PolarHBondContact O-N 3.35Å; F106-R108 VanDerWaalsContact C-N 3.29Å; F106-R108 PolarHBondContact O-N 3.17Å; F106-R109 PolarHBondContact O-N 3.45Å; F106-Q110 HydrophobicContact CE1-CB 4.37Å; F106-Q110 WeakPolarHBondContact O-CB 3.29Å; F106-Q110 PolarHBondContact O-N 3.28Å; F106-E155 HydrophobicContact CD2-CB 4.35Å; F106-E155 VanDerWaalsContact CD2-CD 3.48Å; F106-E155 HydrophobicContact CD2-CG 4.04Å; F106-E155 WeakPolarHBondContact CD2-OE2 3.33Å; F106-E155 HydrophobicContact CE2-CB 4.18Å; F106-E155 HydrophobicContact CE2-CG 3.85Å
107K98.3Very high98.2Very high173 Ų17330.8 Ų30.875%0.75214%0.143SC*.Hα-helixtrans-63.4-32.4-178.5-67.4-174.6-179.5-179.60113.3N105 A111N105-K107 VanDerWaalsContact C-N 3.27Å; N105-K107 PolarHBondContact O-N 2.91Å; K107-A111 WeakPolarHBondContact O-CB 3.35Å; K107-A111 PolarHBondContact O-N 3.48Å; K107-A111 VanDerWaalsContact O-N 3.08Å
108R98.4Very high98.1Very high67 Ų6733.3 Ų33.325%0.25316%0.156SC..Hα-helixtrans-72.8-49.3176.9-64.9-174.1-177-173-2.5110.2N105 F106 Q110 A111 I112 D200 S334N105-R108 HydrophobicContact CB-CB 4.28Å; N105-R108 HydrophobicContact CB-CG 4.4Å; N105-R108 PolarHBondContact O-N 3.39Å; F106-R108 VanDerWaalsContact C-N 3.29Å; F106-R108 PolarHBondContact O-N 3.17Å; R108-Q110 VanDerWaalsContact C-N 3.27Å; R108-Q110 PolarHBondContact O-N 3.05Å; R108-A111 WeakPolarHBondContact O-CB 3.44Å; R108-A111 PolarHBondContact O-N 3.35Å; R108-I112 WeakPolarHBondContact O-CG1 3.35Å; R108-I112 PolarHBondContact O-N 2.88Å; R108-D200 HydrophobicContact CB-CB 4.39Å; R108-D200 VanDerWaalsContact CD-OD1 3.22Å; R108-D200 WeakPolarHBondContact CD-OD1 3.31Å; R108-D200 IonicContact CZ-OD1 2.69Å; R108-D200 IonicContact NE-OD1 3.65Å; R108-D200 IonicContact NH1-OD1 2.86Å; R108-D200 PolarHBondContact NH1-OD1 2.95Å; R108-S334 VanDerWaalsContact CZ-OG 3.31Å; R108-S334 PolarHBondContact NH2-OG 2.49Å
109R98.6Very high98Very high1 Ų135.3 Ų35.30%0.00417%0.166CC..Hα-helixtrans-54.4-46.2174.1-64.1-165.6-70.8-80.54.8111.7S101 S102 P103 N105 F106 A111 I112 R113 F134 L152 E155S101-R109 WeakPolarHBondContact OG-CG 3.3Å; S101-R109 PolarHBondContact OG-NH1 2.83Å; S102-R109 PolarHBondContact O-NH1 2.96Å; P103-R109 PolarHBondContact O-NH2 3.11Å; P103-R109 VanDerWaalsContact O-NH2 3.07Å; N105-R109 PolarHBondContact O-N 3.41Å; N105-R109 VanDerWaalsContact O-N 3.11Å; F106-R109 PolarHBondContact O-N 3.45Å; R109-A111 PolarHBondContact O-N 3.37Å; R109-I112 WeakPolarHBondContact O-CB 3.43Å; R109-I112 PolarHBondContact O-N 2.81Å; R109-I112 VanDerWaalsContact O-N 3.15Å; R109-R113 WeakPolarHBondContact O-CG 3.42Å; R109-R113 PolarHBondContact O-N 3.41Å; R109-F134 HydrophobicContact CB-CD1 4.16Å; R109-F134 HydrophobicContact CB-CD2 4.39Å; R109-F134 HydrophobicContact CB-CE1 3.81Å; R109-F134 HydrophobicContact CB-CE2 4.04Å; R109-F134 HydrophobicContact CB-CG 4.44Å; R109-F134 HydrophobicContact CB-CZ 3.73Å; R109-F134 VanDerWaalsContact CD-CG 3.48Å; R109-F134 HydrophobicContact CG-CD1 3.52Å; R109-F134 HydrophobicContact CG-CD2 4.3Å; R109-F134 HydrophobicContact CG-CE1 3.61Å; R109-F134 HydrophobicContact CG-CE2 4.36Å; R109-F134 HydrophobicContact CG-CG 3.89Å; R109-F134 HydrophobicContact CG-CZ 4.04Å; R109-L152 VanDerWaalsContact NH2-CD2 3.31Å; R109-E155 IonicContact CZ-OE1 3.78Å; R109-E155 IonicContact CZ-OE2 3.49Å; R109-E155 IonicContact NE-OE1 3.41Å; R109-E155 PolarHBondContact NE-OE1 2.8Å; R109-E155 IonicContact NE-OE2 2.69Å; R109-E155 PolarHBondContact NE-OE2 3.42Å; R109-E155 IonicContact NH2-OE1 3.46Å; R109-E155 IonicContact NH2-OE2 3.34Å; R109-E155 PolarHBondContact NH2-OE2 3.02Å
110Q98.6Very high97.8Very high30 Ų3039.6 Ų39.614%0.1420%0.196CC..Hα-helixtrans-60.7-41.9176.5-171.661.623.600112.7F106 R108 I112 R113 E114 Y159F106-Q110 HydrophobicContact CE1-CB 4.37Å; F106-Q110 WeakPolarHBondContact O-CB 3.29Å; F106-Q110 PolarHBondContact O-N 3.28Å; R108-Q110 VanDerWaalsContact C-N 3.27Å; R108-Q110 PolarHBondContact O-N 3.05Å; Q110-I112 VanDerWaalsContact C-N 3.29Å; Q110-I112 PolarHBondContact O-N 3.4Å; Q110-R113 PolarHBondContact O-N 3.48Å; Q110-E114 VanDerWaalsContact CG-OE1 3.27Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.07Å; Q110-E114 PolarHBondContact NE2-OE1 2.88Å; Q110-E114 WeakPolarHBondContact O-CB 3.46Å; Q110-E114 VanDerWaalsContact O-CG 3.31Å; Q110-E114 WeakPolarHBondContact O-CG 3.35Å; Q110-E114 PolarHBondContact O-N 2.87Å; Q110-E114 VanDerWaalsContact O-N 3.09Å; Q110-Y159 PolarHBondContact NE2-OH 3.2Å; Q110-Y159 PolarHBondContact OE1-OH 3.27Å
111A98.6Very high97.7Very high7 Ų741.4 Ų41.46%0.05820%0.204CC..Hα-helixtrans-62.5-38.3175.900000112K107 R108 R109 E114 T115 V337 R338K107-A111 WeakPolarHBondContact O-CB 3.35Å; K107-A111 PolarHBondContact O-N 3.48Å; K107-A111 VanDerWaalsContact O-N 3.08Å; R108-A111 WeakPolarHBondContact O-CB 3.44Å; R108-A111 PolarHBondContact O-N 3.35Å; R109-A111 PolarHBondContact O-N 3.37Å; A111-E114 PolarHBondContact O-N 3.06Å; A111-T115 WeakPolarHBondContact O-CB 3.45Å; A111-T115 WeakPolarHBondContact O-CG2 3.43Å; A111-T115 PolarHBondContact O-N 3.4Å; A111-T115 PolarHBondContact O-OG1 3.37Å; A111-V337 HydrophobicContact CB-CB 4.49Å; A111-R338 HydrophobicContact CB-CG 4.39Å
112I98.8Very high97.6Very high0 Ų041.4 Ų41.40%020%0.204CC..Hα-helixtrans-66.3-47.9177.5-66.6170.4000110.5V99 R108 R109 Q110 E114 T115 W116 G117 L132 F134 D200V99-I112 HydrophobicContact CG1-CD1 3.91Å; R108-I112 WeakPolarHBondContact O-CG1 3.35Å; R108-I112 PolarHBondContact O-N 2.88Å; R109-I112 WeakPolarHBondContact O-CB 3.43Å; R109-I112 PolarHBondContact O-N 2.81Å; R109-I112 VanDerWaalsContact O-N 3.15Å; Q110-I112 VanDerWaalsContact C-N 3.29Å; Q110-I112 PolarHBondContact O-N 3.4Å; I112-E114 PolarHBondContact O-N 3.26Å; I112-T115 CarbonylContact O-C 3.13Å; I112-T115 PolarHBondContact O-N 3.2Å; I112-T115 PolarHBondContact O-OG1 3.01Å; I112-W116 HydrophobicContact CB-CZ2 4.16Å; I112-W116 HydrophobicContact CD1-CH2 3.9Å; I112-W116 HydrophobicContact CD1-CZ2 3.46Å; I112-W116 VanDerWaalsContact CD1-CZ2 3.46Å; I112-W116 HydrophobicContact CG1-CH2 4.15Å; I112-W116 HydrophobicContact CG1-CZ2 3.44Å; I112-W116 VanDerWaalsContact CG1-CZ2 3.44Å; I112-W116 HydrophobicContact CG2-CD2 3.95Å; I112-W116 HydrophobicContact CG2-CE3 3.91Å; I112-W116 HydrophobicContact CG2-CH2 3.65Å; I112-W116 HydrophobicContact CG2-CZ2 3.68Å; I112-W116 HydrophobicContact CG2-CZ3 3.75Å; I112-G117 WeakPolarHBondContact O-CA 3.04Å; I112-G117 PolarHBondContact O-N 3.34Å; I112-L132 HydrophobicContact CG2-CD1 4.49Å; I112-L132 HydrophobicContact CG2-CD2 4.32Å; I112-F134 HydrophobicContact CB-CE1 4.29Å; I112-F134 HydrophobicContact CB-CZ 4.09Å; I112-F134 HydrophobicContact CD1-CE1 4.04Å; I112-F134 HydrophobicContact CG2-CE1 4.19Å; I112-F134 HydrophobicContact CG2-CZ 3.97Å; I112-D200 HydrophobicContact CD1-CB 4.2Å
113R98.6Very high97.4Very high23 Ų2346.8 Ų46.89%0.08722%0.221CC..Hα-helixtrans-56.3-37.5175.6-69.5-179.6-171.4113.34112.9R109 Q110 T115 N118 L132 F134 E155 D161R109-R113 WeakPolarHBondContact O-CG 3.42Å; R109-R113 PolarHBondContact O-N 3.41Å; Q110-R113 PolarHBondContact O-N 3.48Å; R113-T115 VanDerWaalsContact C-N 3.29Å; R113-N118 WeakPolarHBondContact O-CA 3.41Å; R113-N118 VanDerWaalsContact O-CB 3.29Å; R113-N118 WeakPolarHBondContact O-CB 3.25Å; R113-L132 HydrophobicContact CG-CD2 4.23Å; R113-F134 HydrophobicContact CG-CE2 4.04Å; R113-F134 HydrophobicContact CG-CZ 4.27Å; R113-E155 IonicContact CZ-OE1 2.9Å; R113-E155 VanDerWaalsContact CZ-OE1 3.23Å; R113-E155 IonicContact NH1-OE1 3.36Å; R113-E155 PolarHBondContact NH1-OE1 3.2Å; R113-E155 IonicContact NH2-OE1 3.57Å; R113-E155 PolarHBondContact NH2-OE1 3.46Å; R113-D161 IonicContact CZ-OD1 3.4Å; R113-D161 IonicContact CZ-OD2 2.8Å; R113-D161 IonicContact NE-OD1 3.64Å; R113-D161 IonicContact NE-OD2 3.3Å; R113-D161 PolarHBondContact NE-OD2 3.25Å; R113-D161 IonicContact NH2-OD1 2.81Å; R113-D161 PolarHBondContact NH2-OD1 2.88Å; R113-D161 IonicContact NH2-OD2 3.23Å; R113-D161 PolarHBondContact NH2-OD2 3.29Å
114E97.9Very high97.3Very high90 Ų9050.2 Ų50.242%0.42125%0.245SC..THydrogen-bonded Turntrans-80.2-8.1179.4-71.4168.3-167.600113.7Q110 A111 I112 R338Q110-E114 VanDerWaalsContact CG-OE1 3.27Å; Q110-E114 WeakPolarHBondContact CG-OE1 3.07Å; Q110-E114 PolarHBondContact NE2-OE1 2.88Å; Q110-E114 WeakPolarHBondContact O-CB 3.46Å; Q110-E114 VanDerWaalsContact O-CG 3.31Å; Q110-E114 WeakPolarHBondContact O-CG 3.35Å; Q110-E114 PolarHBondContact O-N 2.87Å; Q110-E114 VanDerWaalsContact O-N 3.09Å; A111-E114 PolarHBondContact O-N 3.06Å; I112-E114 PolarHBondContact O-N 3.26Å; E114-R338 IonicContact OE1-NH2 3.74Å; E114-R338 IonicContact OE2-CZ 2.75Å; E114-R338 IonicContact OE2-NE 2.77Å; E114-R338 PolarHBondContact OE2-NE 2.86Å; E114-R338 IonicContact OE2-NH2 3.61Å; E114-R338 PolarHBondContact OE2-NH2 2.91Å
115T98Very high97.1Very high4 Ų452.1 Ų52.13%0.02525%0.254CS..THydrogen-bonded Turntrans-130.4-113.9-174.3600000111.3A111 I112 R113 G117 N118 V337 R338 W341A111-T115 WeakPolarHBondContact O-CB 3.45Å; A111-T115 WeakPolarHBondContact O-CG2 3.43Å; A111-T115 PolarHBondContact O-N 3.4Å; A111-T115 PolarHBondContact O-OG1 3.37Å; I112-T115 CarbonylContact O-C 3.13Å; I112-T115 PolarHBondContact O-N 3.2Å; I112-T115 PolarHBondContact O-OG1 3.01Å; R113-T115 VanDerWaalsContact C-N 3.29Å; T115-G117 PolarHBondContact O-N 3.04Å; T115-N118 VanDerWaalsContact O-CB 3.23Å; T115-N118 WeakPolarHBondContact O-CB 3.28Å; T115-N118 PolarHBondContact O-N 3.44Å; T115-N118 VanDerWaalsContact O-N 3.14Å; T115-V337 HydrophobicContact CG2-CG1 4.31Å; T115-V337 VanDerWaalsContact OG1-CG1 3.29Å; T115-V337 WeakPolarHBondContact OG1-CG1 3.28Å; T115-R338 HydrophobicContact CG2-CG 4.11Å; T115-W341 HydrophobicContact CG2-CB 3.66Å; T115-W341 HydrophobicContact CG2-CD2 4.36Å; T115-W341 HydrophobicContact CG2-CG 3.68Å
116W97.6Very high97Very high1 Ų152.5 Ų52.50%0.00426%0.256CS..THydrogen-bonded Turntrans-71.9-15.3-170.757-99.8000114.3L97 V99 I112 A198 I202 V204 M206 W341L97-W116 HydrophobicContact CD1-CZ3 4.2Å; L97-W116 HydrophobicContact CD2-CE3 3.99Å; L97-W116 HydrophobicContact CD2-CZ3 3.74Å; L97-W116 HydrophobicContact CG-CZ3 4.25Å; V99-W116 HydrophobicContact CG1-CH2 4.49Å; V99-W116 HydrophobicContact CG2-CH2 3.59Å; V99-W116 HydrophobicContact CG2-CZ3 3.89Å; I112-W116 HydrophobicContact CB-CZ2 4.16Å; I112-W116 HydrophobicContact CD1-CH2 3.9Å; I112-W116 HydrophobicContact CD1-CZ2 3.46Å; I112-W116 VanDerWaalsContact CD1-CZ2 3.46Å; I112-W116 HydrophobicContact CG1-CH2 4.15Å; I112-W116 HydrophobicContact CG1-CZ2 3.44Å; I112-W116 VanDerWaalsContact CG1-CZ2 3.44Å; I112-W116 HydrophobicContact CG2-CD2 3.95Å; I112-W116 HydrophobicContact CG2-CE3 3.91Å; I112-W116 HydrophobicContact CG2-CH2 3.65Å; I112-W116 HydrophobicContact CG2-CZ2 3.68Å; I112-W116 HydrophobicContact CG2-CZ3 3.75Å; W116-A198 HydrophobicContact CH2-CB 4.46Å; W116-I202 VanDerWaalsContact CZ2-O 3.25Å; W116-I202 WeakPolarHBondContact CZ2-O 3.35Å; W116-I202 PolarHBondContact NE1-O 2.87Å; W116-I202 VanDerWaalsContact NE1-O 3.1Å; W116-V204 HydrophobicContact CB-CB 4.34Å; W116-V204 WeakPolarHBondContact CB-O 3.09Å; W116-V204 HydrophobicContact CD2-CB 3.91Å; W116-V204 HydrophobicContact CD2-CG2 4.09Å; W116-V204 HydrophobicContact CE3-CB 3.86Å; W116-V204 HydrophobicContact CE3-CG2 3.87Å; W116-V204 HydrophobicContact CG-CB 4.16Å; W116-V204 HydrophobicContact CH2-CG2 4.19Å; W116-V204 HydrophobicContact CZ2-CG2 4.38Å; W116-V204 HydrophobicContact CZ3-CB 4.44Å; W116-V204 HydrophobicContact CZ3-CG2 3.93Å; W116-M206 HydrophobicContact CE3-CE 4.44Å; W116-M206 WeakPolarHBondContact O-CE 3.41Å; W116-W341 HydrophobicContact CB-CE3 3.94Å; W116-W341 HydrophobicContact CB-CH2 4.44Å; W116-W341 HydrophobicContact CB-CZ3 3.62Å
117G97.9Very high96.8Very high7 Ų750.9 Ų50.97%0.07227%0.265CS..THydrogen-bonded Turntrans-93.77.4173.400000114.2I112 T115 E119 L132I112-G117 WeakPolarHBondContact O-CA 3.04Å; I112-G117 PolarHBondContact O-N 3.34Å; T115-G117 PolarHBondContact O-N 3.04Å; G117-E119 PolarHBondContact O-N 3.15Å; G117-E119 VanDerWaalsContact O-N 3.07Å; G117-L132 WeakPolarHBondContact O-CD2 3.31Å
118N97.6Very high96.6Very high52 Ų5243.4 Ų43.428%0.27823%0.234SC..  trans-73.798.4-178.7-173.2-29.3000111.2R113 T115 S120 F121 V122R113-N118 WeakPolarHBondContact O-CA 3.41Å; R113-N118 VanDerWaalsContact O-CB 3.29Å; R113-N118 WeakPolarHBondContact O-CB 3.25Å; T115-N118 VanDerWaalsContact O-CB 3.23Å; T115-N118 WeakPolarHBondContact O-CB 3.28Å; T115-N118 PolarHBondContact O-N 3.44Å; T115-N118 VanDerWaalsContact O-N 3.14Å; N118-S120 VanDerWaalsContact C-N 3.27Å; N118-S120 PolarHBondContact O-N 3.08Å; N118-S120 WeakPolarHBondContact OD1-CB 3.3Å; N118-S120 PolarHBondContact OD1-N 3.33Å; N118-S120 VanDerWaalsContact OD1-N 3.13Å; N118-F121 HydrophobicContact CB-CB 3.9Å; N118-F121 PolarHBondContact O-N 2.94Å; N118-F121 PolarHBondContact OD1-N 3.42Å; N118-V122 WeakPolarHBondContact O-CG2 3.32Å; N118-V122 PolarHBondContact O-N 3.16Å; N118-V122 VanDerWaalsContact O-N 3.11Å
119E96.1Very high96.4Very high42 Ų4240.5 Ų40.520%0.19622%0.224CC..Hα-helixtrans-57.4-38.2-179.5-60.4-170.4-167.300112.8K81 G117 V122 W123 V130 R131 L132K81-E119 WeakPolarHBondContact CE-OE1 3.5Å; K81-E119 IonicContact NZ-OE1 3.84Å; G117-E119 PolarHBondContact O-N 3.15Å; G117-E119 VanDerWaalsContact O-N 3.07Å; E119-V122 PolarHBondContact O-N 3.49Å; E119-W123 WeakPolarHBondContact O-CB 3.34Å; E119-W123 PolarHBondContact O-N 3.28Å; E119-V130 VanDerWaalsContact CD-O 3.31Å; E119-V130 WeakPolarHBondContact CG-O 3.24Å; E119-R131 IonicContact OE2-CZ 3.75Å; E119-R131 IonicContact OE2-NE 3.99Å; E119-R131 IonicContact OE2-NH1 2.84Å; E119-R131 PolarHBondContact OE2-NH1 3.01Å; E119-L132 HydrophobicContact CG-CB 4.35Å; E119-L132 PolarHBondContact OE1-N 2.68Å
120S95.1Very high96.3Very high90 Ų9040.7 Ų40.763%0.62923%0.225SC*.Hα-helixtrans-66.5-43.1-179.7-60.90000112.3N118 W123 S124N118-S120 VanDerWaalsContact C-N 3.27Å; N118-S120 PolarHBondContact O-N 3.08Å; N118-S120 WeakPolarHBondContact OD1-CB 3.3Å; N118-S120 PolarHBondContact OD1-N 3.33Å; N118-S120 VanDerWaalsContact OD1-N 3.13Å; S120-W123 PolarHBondContact O-N 3.08Å; S120-S124 PolarHBondContact O-N 3.34Å; S120-S124 PolarHBondContact O-OG 3.4Å
121F95.4Very high96.3Very high46 Ų4640 Ų4020%0.20222%0.221CC..Hα-helixtrans-61.2-45174.5168.3-91.7000111N118 W123 S124 E125 W341 I345N118-F121 HydrophobicContact CB-CB 3.9Å; N118-F121 PolarHBondContact O-N 2.94Å; N118-F121 PolarHBondContact OD1-N 3.42Å; F121-W123 VanDerWaalsContact C-N 3.32Å; F121-W123 PolarHBondContact O-N 2.76Å; F121-S124 PolarHBondContact O-N 3.49Å; F121-S124 PolarHBondContact O-OG 2.92Å; F121-E125 HydrophobicContact CD2-CB 4.35Å; F121-E125 HydrophobicContact CD2-CG 3.57Å; F121-E125 HydrophobicContact CE2-CB 4.09Å; F121-E125 HydrophobicContact CE2-CG 3.51Å; F121-E125 HydrophobicContact CG-CG 4.27Å; F121-E125 HydrophobicContact CZ-CB 4.21Å; F121-E125 HydrophobicContact CZ-CG 4.13Å; F121-E125 VanDerWaalsContact O-CB 3.31Å; F121-E125 WeakPolarHBondContact O-CB 3.25Å; F121-E125 WeakPolarHBondContact O-CG 3.48Å; F121-E125 PolarHBondContact O-N 3.5Å; F121-W341 HydrophobicContact CD1-CH2 4.16Å; F121-W341 AromaticContact CD1-CZ2 3.97Å; F121-W341 HydrophobicContact CD1-CZ2 3.97Å; F121-W341 AromaticContact CE1-CH2 3.67Å; F121-W341 HydrophobicContact CE1-CH2 3.67Å; F121-W341 AromaticContact CE1-CZ2 3.62Å; F121-W341 HydrophobicContact CE1-CZ2 3.62Å; F121-W341 HydrophobicContact CE2-CZ2 4.33Å; F121-W341 HydrophobicContact CZ-CH2 4.19Å; F121-W341 AromaticContact CZ-CZ2 3.81Å; F121-W341 HydrophobicContact CZ-CZ2 3.81Å; F121-I345 HydrophobicContact CZ-CG2 4.41Å
122V95.6Very high96.2Very high2 Ų239.9 Ų39.91%0.01222%0.219CC..Hα-helixtrans-64-40.8-179.9176.20000111.1N118 E119 L126 G127 V128 V130 M206N118-V122 WeakPolarHBondContact O-CG2 3.32Å; N118-V122 PolarHBondContact O-N 3.16Å; N118-V122 VanDerWaalsContact O-N 3.11Å; E119-V122 PolarHBondContact O-N 3.49Å; V122-L126 HydrophobicContact CG1-CB 4.42Å; V122-L126 HydrophobicContact CG1-CD1 4.16Å; V122-L126 HydrophobicContact CG2-CD1 4.4Å; V122-L126 CarbonylContact O-C 3.43Å; V122-L126 WeakPolarHBondContact O-CA 3.4Å; V122-L126 VanDerWaalsContact O-CB 3.26Å; V122-L126 WeakPolarHBondContact O-CB 3.37Å; V122-L126 PolarHBondContact O-N 3.06Å; V122-G127 PolarHBondContact O-N 3.49Å; V122-V128 HydrophobicContact CG1-CG2 3.67Å; V122-V130 HydrophobicContact CB-CG2 4.47Å; V122-V130 HydrophobicContact CG1-CB 4.07Å; V122-V130 HydrophobicContact CG1-CG2 3.48Å; V122-V130 VanDerWaalsContact CG1-CG2 3.48Å; V122-M206 HydrophobicContact CG2-CG 3.52Å
123W94.1Very high96.2Very high134 Ų13439.9 Ų39.951%0.50822%0.219SC..Hα-helixtrans-63.9-49.8175.1180-99.7000112.4W90 E119 S120 F121 G127W90-W123 HydrophobicContact CE3-CZ3 4.31Å; W90-W123 HydrophobicContact CH2-CD2 4.27Å; W90-W123 HydrophobicContact CH2-CE3 4.31Å; W90-W123 HydrophobicContact CZ3-CD2 4.06Å; W90-W123 AromaticContact CZ3-CE3 3.65Å; W90-W123 HydrophobicContact CZ3-CE3 3.65Å; W90-W123 HydrophobicContact CZ3-CH2 4.31Å; W90-W123 AromaticContact CZ3-CZ3 3.79Å; W90-W123 HydrophobicContact CZ3-CZ3 3.79Å; E119-W123 WeakPolarHBondContact O-CB 3.34Å; E119-W123 PolarHBondContact O-N 3.28Å; S120-W123 PolarHBondContact O-N 3.08Å; F121-W123 VanDerWaalsContact C-N 3.32Å; F121-W123 PolarHBondContact O-N 2.76Å; W123-G127 WeakPolarHBondContact O-CA 3.32Å; W123-G127 PolarHBondContact O-N 3.01Å
124S94.3Very high96.2Very high76 Ų7638.8 Ų38.853%0.53122%0.215SC..Hα-helixtrans-73.1-42.1-174.668.80000113.5S120 F121S120-S124 PolarHBondContact O-N 3.34Å; S120-S124 PolarHBondContact O-OG 3.4Å; F121-S124 PolarHBondContact O-N 3.49Å; F121-S124 PolarHBondContact O-OG 2.92Å
125E94.3Very high96.3Very high127 Ų12734.5 Ų34.559%0.59320%0.195SC*.Hα-helixtrans-93.6-29.6-172.3-57.3-51.4128.300113.3F121F121-E125 HydrophobicContact CD2-CB 4.35Å; F121-E125 HydrophobicContact CD2-CG 3.57Å; F121-E125 HydrophobicContact CE2-CB 4.09Å; F121-E125 HydrophobicContact CE2-CG 3.51Å; F121-E125 HydrophobicContact CG-CG 4.27Å; F121-E125 HydrophobicContact CZ-CB 4.21Å; F121-E125 HydrophobicContact CZ-CG 4.13Å; F121-E125 VanDerWaalsContact O-CB 3.31Å; F121-E125 WeakPolarHBondContact O-CB 3.25Å; F121-E125 WeakPolarHBondContact O-CG 3.48Å; F121-E125 PolarHBondContact O-N 3.5Å
126L94.9Very high96.2Very high39 Ų3934.4 Ų34.420%0.20419%0.194CC..Hα-helixtrans-111.2-9.7-175.1-49178.6000113.2V122 V128 M206 P207 V210V122-L126 HydrophobicContact CG1-CB 4.42Å; V122-L126 HydrophobicContact CG1-CD1 4.16Å; V122-L126 HydrophobicContact CG2-CD1 4.4Å; V122-L126 CarbonylContact O-C 3.43Å; V122-L126 WeakPolarHBondContact O-CA 3.4Å; V122-L126 VanDerWaalsContact O-CB 3.26Å; V122-L126 WeakPolarHBondContact O-CB 3.37Å; V122-L126 PolarHBondContact O-N 3.06Å; L126-V128 VanDerWaalsContact C-N 3.29Å; L126-V128 HydrophobicContact CB-CG2 4.18Å; L126-V128 PolarHBondContact O-N 3.33Å; L126-M206 HydrophobicContact CD1-CG 4.21Å; L126-P207 HydrophobicContact CD1-CB 4.43Å; L126-P207 HydrophobicContact CD1-CG 4.31Å; L126-P207 HydrophobicContact CD2-CB 4Å; L126-P207 HydrophobicContact CD2-CG 4.21Å; L126-V210 HydrophobicContact CB-CG1 4.23Å; L126-V210 HydrophobicContact CD1-CB 4.13Å; L126-V210 HydrophobicContact CD1-CG2 3.86Å
127G94.3Very high96.2Very high58 Ų5834.3 Ų34.360%0.59819%0.194SC*.  trans67.126.1173.700000114.3V122 W123V122-G127 PolarHBondContact O-N 3.49Å; W123-G127 WeakPolarHBondContact O-CA 3.32Å; W123-G127 PolarHBondContact O-N 3.01Å
128V94.8Very high96.2Very high15 Ų1534.3 Ų34.39%0.09119%0.193CC..  trans-134152.7-177.8-61.80000111.2L94 V122 L126 V130 V210 Q214L94-V128 HydrophobicContact CB-CB 4.23Å; L94-V128 HydrophobicContact CD2-CB 3.72Å; L94-V128 HydrophobicContact CD2-CG1 3.74Å; L94-V128 HydrophobicContact CD2-CG2 3.83Å; V122-V128 HydrophobicContact CG1-CG2 3.67Å; L126-V128 VanDerWaalsContact C-N 3.29Å; L126-V128 HydrophobicContact CB-CG2 4.18Å; L126-V128 PolarHBondContact O-N 3.33Å; V128-V130 HydrophobicContact CG2-CG2 4.43Å; V128-V210 HydrophobicContact CG1-CG1 4.11Å; V128-V210 HydrophobicContact CG2-CB 4.44Å; V128-V210 HydrophobicContact CG2-CG1 3.64Å; V128-V210 HydrophobicContact CG2-CG2 3.87Å; V128-Q214 HydrophobicContact CG1-CG 4.5Å
129S94.5Very high96.2Very high6 Ų634 Ų344%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-91126.9176.8-173.20000111.2L94 L95L94-S129 WeakPolarHBondContact CB-O 3.38Å; L94-S129 PolarHBondContact N-O 2.84Å; L95-S129 PolarHBondContact N-O 2.85Å
130V96.5Very high96.1Very high5 Ų535 Ų353%0.0320%0.199CC..EExtended strand (participates in β ladder)trans-127.9138.4174.2176.30000108.6L95 L97 E119 V122 V128L95-V130 HydrophobicContact CB-CG1 4.24Å; L95-V130 HydrophobicContact CB-CG2 3.92Å; L95-V130 HydrophobicContact CD2-CG1 4.31Å; L95-V130 HydrophobicContact CG-CG1 4.45Å; L95-V130 VanDerWaalsContact O-CA 3.29Å; L95-V130 WeakPolarHBondContact O-CA 3.29Å; L97-V130 HydrophobicContact CB-CG1 4.19Å; L97-V130 HydrophobicContact CD2-CG1 4.4Å; E119-V130 VanDerWaalsContact CD-O 3.31Å; E119-V130 WeakPolarHBondContact CG-O 3.24Å; V122-V130 HydrophobicContact CB-CG2 4.47Å; V122-V130 HydrophobicContact CG1-CB 4.07Å; V122-V130 HydrophobicContact CG1-CG2 3.48Å; V122-V130 VanDerWaalsContact CG1-CG2 3.48Å; V128-V130 HydrophobicContact CG2-CG2 4.43Å
131R96.6Very high96Very high17 Ų1731.9 Ų31.96%0.06418%0.182CC..EExtended strand (participates in β ladder)trans-117117.9178.1-68.8-61.4-177.4-117.8-7.8111.2K81 V93 L95 L96 L97 E119K81-R131 WeakPolarHBondContact O-CD 3.4Å; K81-R131 PolarHBondContact O-NE 2.95Å; K81-R131 VanDerWaalsContact O-NE 3.09Å; V93-R131 HydrophobicContact CG1-CG 4.18Å; V93-R131 HydrophobicContact CG2-CG 4.25Å; L95-R131 PolarHBondContact O-N 2.91Å; L96-R131 HydrophobicContact CD1-CB 3.92Å; L97-R131 PolarHBondContact N-O 3.01Å; E119-R131 IonicContact OE2-CZ 3.75Å; E119-R131 IonicContact OE2-NE 3.99Å; E119-R131 IonicContact OE2-NH1 2.84Å; E119-R131 PolarHBondContact OE2-NH1 3.01Å
132L98.3Very high95.9Very high4 Ų435.2 Ų35.22%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-94130.9179.217465.4000110.6L97 V99 I112 R113 G117 E119 F134L97-L132 HydrophobicContact CD2-CD1 4.09Å; L97-L132 HydrophobicContact CG-CD1 4.04Å; L97-L132 WeakPolarHBondContact O-CA 3.37Å; V99-L132 HydrophobicContact CG2-CD1 3.63Å; I112-L132 HydrophobicContact CG2-CD1 4.49Å; I112-L132 HydrophobicContact CG2-CD2 4.32Å; R113-L132 HydrophobicContact CG-CD2 4.23Å; G117-L132 WeakPolarHBondContact O-CD2 3.31Å; E119-L132 HydrophobicContact CG-CB 4.35Å; E119-L132 PolarHBondContact OE1-N 2.68Å; L132-F134 HydrophobicContact CD1-CE1 4.5Å; L132-F134 HydrophobicContact CD1-CE2 4.41Å; L132-F134 HydrophobicContact CD1-CZ 4.22Å; L132-F134 HydrophobicContact CD2-CE2 3.69Å; L132-F134 HydrophobicContact CD2-CZ 3.77Å; L132-F134 HydrophobicContact CG-CE2 4.03Å; L132-F134 HydrophobicContact CG-CZ 4.25Å
133L98.7Very high95.8Very high0 Ų039.9 Ų39.90%024%0.244CC..EExtended strand (participates in β ladder)trans-138.4128.5172.6-70.8160000110.7K81 L96 L97 F98 V99 D161 I163 W184K81-L133 HydrophobicContact CG-CD1 4.47Å; K81-L133 HydrophobicContact CG-CD2 4.09Å; K81-L133 HydrophobicContact CG-CG 4.4Å; L96-L133 HydrophobicContact CD1-CD1 3.86Å; L97-L133 PolarHBondContact O-N 2.94Å; F98-L133 WeakPolarHBondContact CA-O 3.41Å; F98-L133 HydrophobicContact CD1-CB 3.68Å; F98-L133 HydrophobicContact CD1-CD1 4.46Å; F98-L133 HydrophobicContact CE1-CB 3.71Å; F98-L133 HydrophobicContact CE1-CD1 3.71Å; F98-L133 HydrophobicContact CE1-CG 4.35Å; F98-L133 HydrophobicContact CZ-CD1 4.32Å; V99-L133 PolarHBondContact N-O 2.58Å; L133-D161 CarbonylContact C-O 3.15Å; L133-D161 WeakPolarHBondContact CA-O 3.22Å; L133-I163 HydrophobicContact CB-CD1 4.01Å; L133-I163 HydrophobicContact CB-CG1 4.44Å; L133-I163 HydrophobicContact CD1-CD1 3.97Å; L133-I163 HydrophobicContact CD2-CD1 4.12Å; L133-I163 HydrophobicContact CD2-CG1 4.02Å; L133-I163 HydrophobicContact CG-CD1 4.23Å; L133-W184 HydrophobicContact CD1-CD2 4.21Å; L133-W184 HydrophobicContact CD1-CE3 3.84Å; L133-W184 HydrophobicContact CD1-CH2 3.24Å; L133-W184 HydrophobicContact CD1-CZ2 3.64Å; L133-W184 HydrophobicContact CD1-CZ3 3.33Å
134F98.8Very high95.9Very high0 Ų038.5 Ų38.50%024%0.244CC..EExtended strand (participates in β ladder)trans-91.6124.8172.5-63.3-80.1000110.5V99 R109 I112 R113 L132 M136 D161 L162 I163V99-F134 HydrophobicContact CB-CD1 3.57Å; V99-F134 HydrophobicContact CB-CE1 3.78Å; V99-F134 HydrophobicContact CG1-CD1 3.76Å; V99-F134 HydrophobicContact CG1-CE1 3.79Å; V99-F134 HydrophobicContact CG2-CD1 4.4Å; V99-F134 HydrophobicContact CG2-CE1 4.19Å; V99-F134 WeakPolarHBondContact O-CA 3.45Å; R109-F134 HydrophobicContact CB-CD1 4.16Å; R109-F134 HydrophobicContact CB-CD2 4.39Å; R109-F134 HydrophobicContact CB-CE1 3.81Å; R109-F134 HydrophobicContact CB-CE2 4.04Å; R109-F134 HydrophobicContact CB-CG 4.44Å; R109-F134 HydrophobicContact CB-CZ 3.73Å; R109-F134 VanDerWaalsContact CD-CG 3.48Å; R109-F134 HydrophobicContact CG-CD1 3.52Å; R109-F134 HydrophobicContact CG-CD2 4.3Å; R109-F134 HydrophobicContact CG-CE1 3.61Å; R109-F134 HydrophobicContact CG-CE2 4.36Å; R109-F134 HydrophobicContact CG-CG 3.89Å; R109-F134 HydrophobicContact CG-CZ 4.04Å; I112-F134 HydrophobicContact CB-CE1 4.29Å; I112-F134 HydrophobicContact CB-CZ 4.09Å; I112-F134 HydrophobicContact CD1-CE1 4.04Å; I112-F134 HydrophobicContact CG2-CE1 4.19Å; I112-F134 HydrophobicContact CG2-CZ 3.97Å; R113-F134 HydrophobicContact CG-CE2 4.04Å; R113-F134 HydrophobicContact CG-CZ 4.27Å; L132-F134 HydrophobicContact CD1-CE1 4.5Å; L132-F134 HydrophobicContact CD1-CE2 4.41Å; L132-F134 HydrophobicContact CD1-CZ 4.22Å; L132-F134 HydrophobicContact CD2-CE2 3.69Å; L132-F134 HydrophobicContact CD2-CZ 3.77Å; L132-F134 HydrophobicContact CG-CE2 4.03Å; L132-F134 HydrophobicContact CG-CZ 4.25Å; F134-M136 HydrophobicContact CB-CE 3.86Å; F134-D161 WeakPolarHBondContact CE2-OD2 3.46Å; F134-D161 PolarHBondContact N-O 3.23Å; F134-L162 HydrophobicContact CB-CD2 3.82Å; F134-L162 HydrophobicContact CD2-CD2 4.06Å; F134-L162 HydrophobicContact CG-CD2 4.32Å; F134-I163 PolarHBondContact O-N 3.32Å
135V98.2Very high95.9Very high0 Ų038.6 Ų38.60%023%0.232CC..EExtended strand (participates in β ladder)trans-108.1130.8-178.8-62.10000111.5F98 V99 K100 S101 I163 M180 Q181F98-V135 HydrophobicContact CD1-CG1 3.61Å; F98-V135 HydrophobicContact CE1-CG1 4.05Å; F98-V135 HydrophobicContact CG-CG1 4.43Å; V99-V135 PolarHBondContact O-N 3.14Å; K100-V135 HydrophobicContact CG-CG2 4.07Å; S101-V135 PolarHBondContact N-O 2.79Å; S101-V135 VanDerWaalsContact N-O 3.08Å; V135-I163 HydrophobicContact CG1-CB 4.36Å; V135-I163 HydrophobicContact CG1-CD1 4.1Å; V135-M180 HydrophobicContact CB-CE 4.34Å; V135-M180 HydrophobicContact CB-SD 4.45Å; V135-M180 HydrophobicContact CG1-CE 4.45Å; V135-Q181 HydrophobicContact CB-CG 4.26Å; V135-Q181 HydrophobicContact CG1-CG 3.83Å; V135-Q181 HydrophobicContact CG2-CG 3.72Å
136M97.8Very high96Very high1 Ų139.3 Ų39.31%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-154.6161.9-178.265.4-163.27800113.8S101 F134 L152 L162 I163 Q164 Q165S101-M136 VanDerWaalsContact O-CB 3.3Å; S101-M136 WeakPolarHBondContact O-CB 3.47Å; F134-M136 HydrophobicContact CB-CE 3.86Å; M136-L152 HydrophobicContact SD-CD1 4.12Å; M136-L152 HydrophobicContact SD-CD2 3.77Å; M136-L162 HydrophobicContact CE-CD2 3.92Å; M136-I163 PolarHBondContact N-O 3.14Å; M136-I163 VanDerWaalsContact N-O 3.11Å; M136-Q164 HydrophobicContact CG-CB 4.45Å; M136-Q164 HydrophobicContact CG-CG 4.19Å; M136-Q164 WeakPolarHBondContact O-CA 3.37Å; M136-Q165 PolarHBondContact O-N 2.68Å
137G97.3Very high96.1Very high0 Ų046.7 Ų46.70%026%0.259CS..EExtended strand (participates in β ladder)trans-93.6-164.4166.600000112.2P103 Q164 Q165 F167 N169P103-G137 WeakPolarHBondContact CG-O 3.44Å; G137-Q164 PolarHBondContact O-NE2 2.87Å; G137-Q165 WeakPolarHBondContact CA-O 3.48Å; G137-F167 CarbonylContact C-O 3.58Å; G137-F167 WeakPolarHBondContact CA-O 3.34Å; G137-N169 PolarHBondContact N-OD1 2.55Å
138V97.4Very high96.2Very high7 Ų745.8 Ų45.84%0.04224%0.24CC..EExtended strand (participates in β ladder)trans-85.3152.8170.4-57.90000111.5L75 F167 I168 N169L75-V138 HydrophobicContact CD1-CG1 3.46Å; L75-V138 VanDerWaalsContact CD1-CG1 3.46Å; V138-F167 WeakPolarHBondContact CG2-O 3.38Å; V138-F167 PolarHBondContact N-O 3.39Å; V138-I168 HydrophobicContact CG2-CD1 3.81Å; V138-N169 VanDerWaalsContact O-CB 3.29Å; V138-N169 WeakPolarHBondContact O-CB 3.16Å; V138-N169 PolarHBondContact O-N 2.65Å
139Y97.1Very high96.4Very high45 Ų4546.8 Ų46.818%0.17624%0.244CC..  trans-66138-178.9-176.6-114.2000111.8E104 G141 Q144 R145 L148E104-Y139 HydrophobicContact CB-CE2 4.5Å; E104-Y139 HydrophobicContact CG-CE2 4.48Å; E104-Y139 VanDerWaalsContact OE2-CD2 3.3Å; E104-Y139 WeakPolarHBondContact OE2-CD2 3.45Å; Y139-G141 VanDerWaalsContact CD1-N 3.28Å; Y139-G141 VanDerWaalsContact CD1-O 3.22Å; Y139-G141 WeakPolarHBondContact CD1-O 3.38Å; Y139-G141 VanDerWaalsContact CE1-CA 3.42Å; Y139-G141 WeakPolarHBondContact CE1-O 3.31Å; Y139-Q144 HydrophobicContact CD1-CB 4.27Å; Y139-Q144 HydrophobicContact CE1-CB 3.84Å; Y139-Q144 PolarHBondContact OH-OE1 2.88Å; Y139-Q144 VanDerWaalsContact OH-OE1 3.08Å; Y139-R145 PolarHBondContact O-NE 3.22Å; Y139-R145 PolarHBondContact O-NH2 2.79Å; Y139-L148 HydrophobicContact CD1-CD1 3.47Å; Y139-L148 VanDerWaalsContact CD1-CD1 3.47Å; Y139-L148 HydrophobicContact CD2-CD1 3.72Å; Y139-L148 HydrophobicContact CE1-CD1 3.72Å; Y139-L148 HydrophobicContact CE2-CD1 3.98Å; Y139-L148 HydrophobicContact CG-CD1 3.44Å; Y139-L148 VanDerWaalsContact CG-CD1 3.44Å
140S93.8Very high96.5Very high62 Ų6251.2 Ų51.243%0.43426%0.264SS..SBendtrans-70.2-36.2-176.6590000113.1V142 R145S140-V142 PolarHBondContact O-N 3.34Å; S140-R145 PolarHBondContact O-NH2 3.17Å; S140-R145 VanDerWaalsContact O-NH2 3.14Å
141G94Very high96.6Very high26 Ų2653.7 Ų53.727%0.26829%0.285SS..  trans-73.9105.4-178.200000113.5Y139 A143 Q144 R145Y139-G141 VanDerWaalsContact CD1-N 3.28Å; Y139-G141 VanDerWaalsContact CD1-O 3.22Å; Y139-G141 WeakPolarHBondContact CD1-O 3.38Å; Y139-G141 VanDerWaalsContact CE1-CA 3.42Å; Y139-G141 WeakPolarHBondContact CE1-O 3.31Å; G141-A143 VanDerWaalsContact C-N 3.31Å; G141-A143 PolarHBondContact O-N 3.31Å; G141-Q144 PolarHBondContact O-N 3.06Å; G141-Q144 VanDerWaalsContact O-N 3.16Å; G141-R145 PolarHBondContact O-N 2.04Å
142V92.6Very high96.7Very high115 Ų11553 Ų5370%0.69728%0.282SS*.Hα-helixtrans-53.4-44.4-175.1-1770000112.5S140 Q144 R145S140-V142 PolarHBondContact O-N 3.34Å; V142-Q144 VanDerWaalsContact C-N 3.3Å; V142-Q144 PolarHBondContact O-N 2.8Å; V142-R145 PolarHBondContact O-N 2.82Å
143A94.6Very high96.7Very high100 Ų10057.6 Ų57.683%0.82630%0.304SS*.Hα-helixtrans-63.8-30.5-176.300000114.3G141G141-A143 VanDerWaalsContact C-N 3.31Å; G141-A143 PolarHBondContact O-N 3.31Å
144Q94.8Very high96.7Very high106 Ų10662.9 Ų62.950%0.49533%0.329SS..Hα-helixtrans-104.1-11.2-177.8-62.9170.6-7.300112.6Y139 G141 V142 F146 R147 L148Y139-Q144 HydrophobicContact CD1-CB 4.27Å; Y139-Q144 HydrophobicContact CE1-CB 3.84Å; Y139-Q144 PolarHBondContact OH-OE1 2.88Å; Y139-Q144 VanDerWaalsContact OH-OE1 3.08Å; G141-Q144 PolarHBondContact O-N 3.06Å; G141-Q144 VanDerWaalsContact O-N 3.16Å; V142-Q144 VanDerWaalsContact C-N 3.3Å; V142-Q144 PolarHBondContact O-N 2.8Å; Q144-F146 VanDerWaalsContact C-N 3.31Å; Q144-F146 PolarHBondContact O-N 3.23Å; Q144-R147 PolarHBondContact O-N 2.93Å; Q144-R147 VanDerWaalsContact O-N 3.13Å; Q144-L148 HydrophobicContact CB-CD1 4.28Å; Q144-L148 PolarHBondContact O-N 2.83Å
145R95.1Very high96.6Very high78 Ų7863.2 Ų63.229%0.29433%0.33SS..Hα-helixtrans-52.3-47.2-174.4-175.2-179.7-63.6157.74.7112.4Y139 S140 G141 V142 L148 Q149Y139-R145 PolarHBondContact O-NE 3.22Å; Y139-R145 PolarHBondContact O-NH2 2.79Å; S140-R145 PolarHBondContact O-NH2 3.17Å; S140-R145 VanDerWaalsContact O-NH2 3.14Å; G141-R145 PolarHBondContact O-N 2.04Å; V142-R145 PolarHBondContact O-N 2.82Å; R145-L148 PolarHBondContact O-N 3.09Å; R145-Q149 VanDerWaalsContact O-CB 3.3Å; R145-Q149 WeakPolarHBondContact O-CB 3.49Å; R145-Q149 PolarHBondContact O-N 2.77Å
146F96.4Very high96.6Very high142 Ų14264.4 Ų64.462%0.62334%0.337SS*.Hα-helixtrans-60.8-48.2179.8178.8-98.3000112.5Q144 L148 Q149 Q150Q144-F146 VanDerWaalsContact C-N 3.31Å; Q144-F146 PolarHBondContact O-N 3.23Å; F146-L148 PolarHBondContact O-N 2.84Å; F146-Q149 PolarHBondContact O-N 2.96Å; F146-Q150 HydrophobicContact CE1-CG 4.19Å; F146-Q150 VanDerWaalsContact CE1-NE2 3.27Å; F146-Q150 HydrophobicContact CZ-CG 4.23Å; F146-Q150 WeakPolarHBondContact O-CG 3.47Å; F146-Q150 PolarHBondContact O-N 2.79Å
147R96.8Very high96.6Very high193 Ų19371.5 Ų71.573%0.72837%0.367SS*.Hα-helixtrans-63.9-42.8-179.9-68.5-177.2179.3171.8-0111.9Q144 Q149 Q150 A151Q144-R147 PolarHBondContact O-N 2.93Å; Q144-R147 VanDerWaalsContact O-N 3.13Å; R147-Q149 VanDerWaalsContact C-N 3.34Å; R147-Q150 PolarHBondContact O-N 3.42Å; R147-A151 PolarHBondContact O-N 3.27Å
148L96.9Very high96.7Very high39 Ų3975.5 Ų75.520%0.20439%0.392CS..Hα-helixtrans-66.5-37.4176.6-74.4170.9000111.7E104 Y139 Q144 R145 F146 A151 L152E104-L148 HydrophobicContact CB-CD1 4.49Å; E104-L148 HydrophobicContact CB-CD2 4.49Å; Y139-L148 HydrophobicContact CD1-CD1 3.47Å; Y139-L148 VanDerWaalsContact CD1-CD1 3.47Å; Y139-L148 HydrophobicContact CD2-CD1 3.72Å; Y139-L148 HydrophobicContact CE1-CD1 3.72Å; Y139-L148 HydrophobicContact CE2-CD1 3.98Å; Y139-L148 HydrophobicContact CG-CD1 3.44Å; Y139-L148 VanDerWaalsContact CG-CD1 3.44Å; Q144-L148 HydrophobicContact CB-CD1 4.28Å; Q144-L148 PolarHBondContact O-N 2.83Å; R145-L148 PolarHBondContact O-N 3.09Å; F146-L148 PolarHBondContact O-N 2.84Å; L148-A151 PolarHBondContact O-N 2.84Å; L148-L152 WeakPolarHBondContact O-CG 3.28Å; L148-L152 PolarHBondContact O-N 3.09Å
149Q97.9Very high96.7Very high36 Ų3679 Ų7917%0.16841%0.405CS..Hα-helixtrans-63.8-41.1175.6-168.961.932.600112R145 F146 R147 L152 Q153R145-Q149 VanDerWaalsContact O-CB 3.3Å; R145-Q149 WeakPolarHBondContact O-CB 3.49Å; R145-Q149 PolarHBondContact O-N 2.77Å; F146-Q149 PolarHBondContact O-N 2.96Å; R147-Q149 VanDerWaalsContact C-N 3.34Å; Q149-L152 PolarHBondContact O-N 3.48Å; Q149-Q153 WeakPolarHBondContact O-CG 3.33Å; Q149-Q153 PolarHBondContact O-N 2.84Å
150Q97.7Very high96.7Very high100 Ų10082.1 Ų82.147%0.46742%0.421SS..Hα-helixtrans-63-41.7173.7-71.3-177.3-41.100112F146 R147 Q153 Q154F146-Q150 HydrophobicContact CE1-CG 4.19Å; F146-Q150 VanDerWaalsContact CE1-NE2 3.27Å; F146-Q150 HydrophobicContact CZ-CG 4.23Å; F146-Q150 WeakPolarHBondContact O-CG 3.47Å; F146-Q150 PolarHBondContact O-N 2.79Å; R147-Q150 PolarHBondContact O-N 3.42Å; Q150-Q153 PolarHBondContact O-N 2.88Å; Q150-Q154 PolarHBondContact O-N 3.02Å; Q150-Q154 VanDerWaalsContact O-N 3.1Å
151A98.1Very high96.9Very high57 Ų5779.5 Ų79.547%0.47140%0.402SS..Hα-helixtrans-63.1-41.617600000111.9R147 L148 Q154 E155R147-A151 PolarHBondContact O-N 3.27Å; L148-A151 PolarHBondContact O-N 2.84Å; A151-Q154 PolarHBondContact O-N 3.07Å; A151-E155 PolarHBondContact O-N 2.77Å
152L98.1Very high97.1Very high2 Ų278.3 Ų78.31%0.0139%0.39CS..Hα-helixtrans-62.1-43174.6-75.5176000112.1I76 P103 R109 M136 L148 Q149 Q154 E155 D156 L162I76-L152 HydrophobicContact CD1-CB 4.43Å; P103-L152 HydrophobicContact CB-CD1 3.83Å; P103-L152 HydrophobicContact CG-CD1 4.24Å; R109-L152 VanDerWaalsContact NH2-CD2 3.31Å; M136-L152 HydrophobicContact SD-CD1 4.12Å; M136-L152 HydrophobicContact SD-CD2 3.77Å; L148-L152 WeakPolarHBondContact O-CG 3.28Å; L148-L152 PolarHBondContact O-N 3.09Å; Q149-L152 PolarHBondContact O-N 3.48Å; L152-Q154 VanDerWaalsContact C-N 3.26Å; L152-Q154 PolarHBondContact O-N 2.79Å; L152-E155 WeakPolarHBondContact O-CB 3.44Å; L152-E155 PolarHBondContact O-N 3.49Å; L152-D156 VanDerWaalsContact O-CB 3.31Å; L152-D156 WeakPolarHBondContact O-CB 3.23Å; L152-D156 PolarHBondContact O-N 3.24Å; L152-L162 HydrophobicContact CD2-CD1 3.96Å
153Q98.2Very high97.4Very high101 Ų10172.9 Ų72.947%0.47236%0.357SS..Hα-helixtrans-61.9-35175.9-73.4173.7-14.200112.2Q149 Q150 K157Q149-Q153 WeakPolarHBondContact O-CG 3.33Å; Q149-Q153 PolarHBondContact O-N 2.84Å; Q150-Q153 PolarHBondContact O-N 2.88Å; Q153-K157 VanDerWaalsContact O-CG 3.26Å; Q153-K157 WeakPolarHBondContact O-CG 3.42Å; Q153-K157 PolarHBondContact O-N 3.29Å; Q153-K157 VanDerWaalsContact O-N 3.15Å
154Q98.3Very high97.5Very high111 Ų11168.2 Ų68.252%0.51932%0.318SS..Hα-helixtrans-73.9-38.1176.6-17356.345.600112.3Q150 A151 L152 T158Q150-Q154 PolarHBondContact O-N 3.02Å; Q150-Q154 VanDerWaalsContact O-N 3.1Å; A151-Q154 PolarHBondContact O-N 3.07Å; L152-Q154 VanDerWaalsContact C-N 3.26Å; L152-Q154 PolarHBondContact O-N 2.79Å; Q154-T158 PolarHBondContact O-OG1 3.21Å
155E98.5Very high97.7Very high7 Ų764.3 Ų64.33%0.03330%0.3CS..Hα-helixtrans-60.1-47.3170.9178.6-179.8-17000110.7F106 R109 R113 A151 L152 K157 T158 Y159 L162F106-E155 HydrophobicContact CD2-CB 4.35Å; F106-E155 VanDerWaalsContact CD2-CD 3.48Å; F106-E155 HydrophobicContact CD2-CG 4.04Å; F106-E155 WeakPolarHBondContact CD2-OE2 3.33Å; F106-E155 HydrophobicContact CE2-CB 4.18Å; F106-E155 HydrophobicContact CE2-CG 3.85Å; R109-E155 IonicContact CZ-OE1 3.78Å; R109-E155 IonicContact CZ-OE2 3.49Å; R109-E155 IonicContact NE-OE1 3.41Å; R109-E155 PolarHBondContact NE-OE1 2.8Å; R109-E155 IonicContact NE-OE2 2.69Å; R109-E155 PolarHBondContact NE-OE2 3.42Å; R109-E155 IonicContact NH2-OE1 3.46Å; R109-E155 IonicContact NH2-OE2 3.34Å; R109-E155 PolarHBondContact NH2-OE2 3.02Å; R113-E155 IonicContact CZ-OE1 2.9Å; R113-E155 VanDerWaalsContact CZ-OE1 3.23Å; R113-E155 IonicContact NH1-OE1 3.36Å; R113-E155 PolarHBondContact NH1-OE1 3.2Å; R113-E155 IonicContact NH2-OE1 3.57Å; R113-E155 PolarHBondContact NH2-OE1 3.46Å; A151-E155 PolarHBondContact O-N 2.77Å; L152-E155 WeakPolarHBondContact O-CB 3.44Å; L152-E155 PolarHBondContact O-N 3.49Å; E155-K157 PolarHBondContact O-N 3Å; E155-T158 WeakPolarHBondContact O-CA 3.01Å; E155-T158 WeakPolarHBondContact O-CB 3.44Å; E155-T158 PolarHBondContact O-N 3.26Å; E155-Y159 HydrophobicContact CG-CD2 3.79Å; E155-Y159 HydrophobicContact CG-CE2 4.29Å; E155-Y159 WeakPolarHBondContact O-CD2 3.49Å; E155-Y159 PolarHBondContact O-N 3.17Å; E155-L162 HydrophobicContact CB-CD1 4.31Å; E155-L162 HydrophobicContact CG-CD1 4.09Å
156D98.3Very high97.7Very high25 Ų2564.5 Ų64.513%0.13431%0.306CS..Hα-helixtrans-61.6-43.7-177.3-167.260.4000112.9I76 H78 L152 T158 Y159 E160 L162I76-D156 HydrophobicContact CD1-CB 4.49Å; I76-D156 HydrophobicContact CG2-CB 4.24Å; I76-D156 VanDerWaalsContact CG2-OD1 3.3Å; I76-D156 WeakPolarHBondContact CG2-OD1 3.39Å; I76-D156 VanDerWaalsContact CG2-OD2 3.23Å; I76-D156 WeakPolarHBondContact CG2-OD2 3.12Å; H78-D156 IonicContact CD2-OD1 2.69Å; H78-D156 IonicContact CE1-OD1 3.12Å; H78-D156 PolarHBondContact CE1-OD1 3.23Å; H78-D156 IonicContact CE1-OD2 2.71Å; H78-D156 PolarHBondContact CE1-OD2 2.91Å; H78-D156 IonicContact NE2-OD1 2.89Å; H78-D156 PolarHBondContact NE2-OD1 2.79Å; H78-D156 IonicContact NE2-OD2 3.57Å; H78-D156 PolarHBondContact NE2-OD2 3.09Å; L152-D156 VanDerWaalsContact O-CB 3.31Å; L152-D156 WeakPolarHBondContact O-CB 3.23Å; L152-D156 PolarHBondContact O-N 3.24Å; D156-T158 PolarHBondContact O-N 3.4Å; D156-Y159 PolarHBondContact O-N 2.87Å; D156-E160 WeakPolarHBondContact O-CA 3.36Å; D156-E160 PolarHBondContact O-N 2.93Å; D156-L162 HydrophobicContact CB-CD1 4.05Å; D156-L162 HydrophobicContact CB-CG 4.42Å; D156-L162 WeakPolarHBondContact OD1-CB 2.98Å
157K97.9Very high97.7Very high149 Ų14958 Ų5865%0.64828%0.278SS*.Hα-helixtrans-56.5-21.6172.9-75.8173.2-175.6-179.90114Q153 E155Q153-K157 VanDerWaalsContact O-CG 3.26Å; Q153-K157 WeakPolarHBondContact O-CG 3.42Å; Q153-K157 PolarHBondContact O-N 3.29Å; Q153-K157 VanDerWaalsContact O-N 3.15Å; E155-K157 PolarHBondContact O-N 3Å
158T97.4Very high97.6Very high85 Ų8551.8 Ų51.852%0.52126%0.259SS..Hα-helixtrans-96.4-40.7-176.3-490000111.6Q154 E155 D156Q154-T158 PolarHBondContact O-OG1 3.21Å; E155-T158 WeakPolarHBondContact O-CA 3.01Å; E155-T158 WeakPolarHBondContact O-CB 3.44Å; E155-T158 PolarHBondContact O-N 3.26Å; D156-T158 PolarHBondContact O-N 3.4Å
159Y97.8Very high97.5Very high79 Ų7950.7 Ų50.731%0.3125%0.253SS..Hα-helixtrans-113-19.9-168-62.1-70.3000114.5Q110 E155 D156 D161Q110-Y159 PolarHBondContact NE2-OH 3.2Å; Q110-Y159 PolarHBondContact OE1-OH 3.27Å; E155-Y159 HydrophobicContact CG-CD2 3.79Å; E155-Y159 HydrophobicContact CG-CE2 4.29Å; E155-Y159 WeakPolarHBondContact O-CD2 3.49Å; E155-Y159 PolarHBondContact O-N 3.17Å; D156-Y159 PolarHBondContact O-N 2.87Å; Y159-D161 WeakPolarHBondContact CB-OD1 3.33Å; Y159-D161 PolarHBondContact O-N 3.1Å; Y159-D161 VanDerWaalsContact O-N 3.14Å
160E97.2Very high97.3Very high111 Ų11151.3 Ų51.352%0.51926%0.259SS..  trans47.345177.3-59.8-179.4162.800112.6H78 K81 D156H78-E160 VanDerWaalsContact CD2-C 3.46Å; K81-E160 PolarHBondContact NZ-O 3.07Å; D156-E160 WeakPolarHBondContact O-CA 3.36Å; D156-E160 PolarHBondContact O-N 2.93Å
161D98Very high97Very high7 Ų749.6 Ų49.64%0.03725%0.25CS..  trans-135.512.6-174.167.64000113.1R113 L133 F134 Y159R113-D161 IonicContact CZ-OD1 3.4Å; R113-D161 IonicContact CZ-OD2 2.8Å; R113-D161 IonicContact NE-OD1 3.64Å; R113-D161 IonicContact NE-OD2 3.3Å; R113-D161 PolarHBondContact NE-OD2 3.25Å; R113-D161 IonicContact NH2-OD1 2.81Å; R113-D161 PolarHBondContact NH2-OD1 2.88Å; R113-D161 IonicContact NH2-OD2 3.23Å; R113-D161 PolarHBondContact NH2-OD2 3.29Å; L133-D161 CarbonylContact C-O 3.15Å; L133-D161 WeakPolarHBondContact CA-O 3.22Å; F134-D161 WeakPolarHBondContact CE2-OD2 3.46Å; F134-D161 PolarHBondContact N-O 3.23Å; Y159-D161 WeakPolarHBondContact CB-OD1 3.33Å; Y159-D161 PolarHBondContact O-N 3.1Å; Y159-D161 VanDerWaalsContact O-N 3.14Å
162L98.6Very high96.6Very high1 Ų152 Ų521%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-99.5139177.2-52.1-172.9000111.1I76 H78 F134 M136 L152 E155 D156I76-L162 HydrophobicContact CG2-CB 4.13Å; I76-L162 WeakPolarHBondContact CG2-O 3.45Å; H78-L162 PolarHBondContact CD2-O 3.15Å; H78-L162 PolarHBondContact NE2-O 3.44Å; F134-L162 HydrophobicContact CB-CD2 3.82Å; F134-L162 HydrophobicContact CD2-CD2 4.06Å; F134-L162 HydrophobicContact CG-CD2 4.32Å; M136-L162 HydrophobicContact CE-CD2 3.92Å; L152-L162 HydrophobicContact CD2-CD1 3.96Å; E155-L162 HydrophobicContact CB-CD1 4.31Å; E155-L162 HydrophobicContact CG-CD1 4.09Å; D156-L162 HydrophobicContact CB-CD1 4.05Å; D156-L162 HydrophobicContact CB-CG 4.42Å; D156-L162 WeakPolarHBondContact OD1-CB 2.98Å
163I98.3Very high96.4Very high2 Ų254 Ų541%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-122.8126.1164-45.5166.1000107.5I76 F98 L133 F134 V135 M136 M180 W184I76-I163 WeakPolarHBondContact O-CA 3.46Å; F98-I163 HydrophobicContact CE1-CD1 3.72Å; L133-I163 HydrophobicContact CB-CD1 4.01Å; L133-I163 HydrophobicContact CB-CG1 4.44Å; L133-I163 HydrophobicContact CD1-CD1 3.97Å; L133-I163 HydrophobicContact CD2-CD1 4.12Å; L133-I163 HydrophobicContact CD2-CG1 4.02Å; L133-I163 HydrophobicContact CG-CD1 4.23Å; F134-I163 PolarHBondContact O-N 3.32Å; V135-I163 HydrophobicContact CG1-CB 4.36Å; V135-I163 HydrophobicContact CG1-CD1 4.1Å; M136-I163 PolarHBondContact N-O 3.14Å; M136-I163 VanDerWaalsContact N-O 3.11Å; I163-M180 VanDerWaalsContact C-CE 3.44Å; I163-M180 HydrophobicContact CB-CE 3.57Å; I163-M180 HydrophobicContact CG2-CE 3.17Å; I163-M180 VanDerWaalsContact O-CE 3.26Å; I163-M180 WeakPolarHBondContact O-CE 3.26Å; I163-W184 HydrophobicContact CD1-CB 4.4Å; I163-W184 VanDerWaalsContact CD1-CD1 3.47Å; I163-W184 HydrophobicContact CD1-CD2 3.76Å; I163-W184 HydrophobicContact CD1-CG 3.63Å; I163-W184 HydrophobicContact CD1-CZ2 4.44Å
164Q98.2Very high96.3Very high1 Ų150.4 Ų50.41%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-129.9134.8-179.2-165.6-176.224.700111.2C74 L75 I76 M136 G137C74-Q164 PolarHBondContact SG-O 3.24Å; C74-Q164 VanDerWaalsContact SG-O 3.41Å; L75-Q164 HydrophobicContact CB-CB 4.29Å; L75-Q164 HydrophobicContact CB-CG 4.35Å; L75-Q164 HydrophobicContact CD1-CG 4.3Å; L75-Q164 PolarHBondContact N-O 3.13Å; I76-Q164 HydrophobicContact CB-CB 3.9Å; I76-Q164 HydrophobicContact CD1-CB 4.26Å; I76-Q164 HydrophobicContact CG1-CB 4.07Å; I76-Q164 PolarHBondContact N-O 3.48Å; I76-Q164 PolarHBondContact O-N 2.87Å; M136-Q164 HydrophobicContact CG-CB 4.45Å; M136-Q164 HydrophobicContact CG-CG 4.19Å; M136-Q164 WeakPolarHBondContact O-CA 3.37Å; G137-Q164 PolarHBondContact O-NE2 2.87Å
165Q97.1Very high96.1Very high25 Ų2545.3 Ų45.312%0.11722%0.223CC..EExtended strand (participates in β ladder)trans-120.1155170.4-75.5179.9-1000111P73 M136 G137 F167 M180P73-Q165 WeakPolarHBondContact O-CA 3.12Å; M136-Q165 PolarHBondContact O-N 2.68Å; G137-Q165 WeakPolarHBondContact CA-O 3.48Å; Q165-F167 HydrophobicContact CB-CD1 3.77Å; Q165-F167 HydrophobicContact CB-CE1 3.85Å; Q165-F167 PolarHBondContact O-N 2.83Å; Q165-M180 HydrophobicContact CB-CE 4.38Å; Q165-M180 HydrophobicContact CB-SD 4.13Å; Q165-M180 HydrophobicContact CG-CE 3.9Å; Q165-M180 HydrophobicContact CG-CG 4.34Å; Q165-M180 HydrophobicContact CG-SD 3.89Å
166D96Very high95.9Very high81 Ų8146.2 Ų46.243%0.43323%0.229SC..EExtended strand (participates in β ladder)trans-80.260.5-174.8-167.623.6000113.7Y72 P73 L75Y72-D166 WeakPolarHBondContact CD1-O 3.43Å; P73-D166 PolarHBondContact O-N 3.04Å; L75-D166 HydrophobicContact CD1-CB 4.01Å; L75-D166 HydrophobicContact CD2-CB 4.16Å; L75-D166 HydrophobicContact CG-CB 4.08Å
167F95.6Very high95.8Very high5 Ų545.3 Ų45.32%0.02222%0.224CC..EExtended strand (participates in β ladder)trans-127149.3169.468.5-92.2000110.7Y72 G137 V138 Q165 N169 N173 T176 K177 M180Y72-F167 HydrophobicContact CD1-CB 3.66Å; Y72-F167 HydrophobicContact CD2-CB 4.03Å; Y72-F167 HydrophobicContact CD2-CD1 4.2Å; Y72-F167 HydrophobicContact CD2-CG 4.45Å; Y72-F167 HydrophobicContact CE1-CB 3.53Å; Y72-F167 HydrophobicContact CE2-CB 3.92Å; Y72-F167 HydrophobicContact CG-CB 3.89Å; Y72-F167 HydrophobicContact CG-CD1 4.27Å; G137-F167 CarbonylContact C-O 3.58Å; G137-F167 WeakPolarHBondContact CA-O 3.34Å; V138-F167 WeakPolarHBondContact CG2-O 3.38Å; V138-F167 PolarHBondContact N-O 3.39Å; Q165-F167 HydrophobicContact CB-CD1 3.77Å; Q165-F167 HydrophobicContact CB-CE1 3.85Å; Q165-F167 PolarHBondContact O-N 2.83Å; F167-N169 PolarHBondContact O-N 3.24Å; F167-N173 HydrophobicContact CD2-CB 3.87Å; F167-N173 HydrophobicContact CE2-CB 4.08Å; F167-T176 HydrophobicContact CB-CG2 4.47Å; F167-T176 HydrophobicContact CD1-CG2 3.53Å; F167-T176 HydrophobicContact CD2-CG2 4.18Å; F167-T176 HydrophobicContact CE1-CG2 3.67Å; F167-T176 HydrophobicContact CE2-CG2 4.32Å; F167-T176 HydrophobicContact CG-CG2 3.81Å; F167-T176 HydrophobicContact CZ-CG2 4.08Å; F167-K177 HydrophobicContact CE2-CG 4.12Å; F167-K177 HydrophobicContact CZ-CG 3.62Å; F167-M180 HydrophobicContact CE1-SD 4.08Å
168I96.3Very high95.7Very high63 Ų6338.3 Ų38.332%0.32319%0.193SC..EExtended strand (participates in β ladder)trans-66.3124-179.9-53.6-64.9000110.1V138 T170 N173V138-I168 HydrophobicContact CG2-CD1 3.81Å; I168-T170 HydrophobicContact CB-CG2 4.49Å; I168-T170 HydrophobicContact CG2-CG2 3.75Å; I168-T170 PolarHBondContact O-N 2.9Å; I168-N173 PolarHBondContact O-ND2 3.16Å
169N93.6Very high95.7Very high16 Ų1636.9 Ų36.99%0.08618%0.182CC..  trans-7198.5178-171.487.8000110.9S101 S102 G137 V138 F167 K177S101-N169 PolarHBondContact O-OD1 2.78Å; S102-N169 WeakPolarHBondContact CB-ND2 3.32Å; S102-N169 PolarHBondContact OG-ND2 3.49Å; G137-N169 PolarHBondContact N-OD1 2.55Å; V138-N169 VanDerWaalsContact O-CB 3.29Å; V138-N169 WeakPolarHBondContact O-CB 3.16Å; V138-N169 PolarHBondContact O-N 2.65Å; F167-N169 PolarHBondContact O-N 3.24Å; N169-K177 WeakPolarHBondContact OD1-CE 3.31Å; N169-K177 PolarHBondContact OD1-NZ 3.05Å
170T93.6Very high95.6Very high50 Ų5033.2 Ų33.231%0.30717%0.168SC..  trans-137.3164.6175.2710000110.7I168 H172 N173I168-T170 HydrophobicContact CB-CG2 4.49Å; I168-T170 HydrophobicContact CG2-CG2 3.75Å; I168-T170 PolarHBondContact O-N 2.9Å; T170-H172 PolarHBondContact O-N 3.18Å; T170-H172 PolarHBondContact OG1-N 2.98Å; T170-N173 PolarHBondContact O-N 2.86Å; T170-N173 PolarHBondContact OG1-N 3.02Å
171F91.3Very high95.6Very high63 Ų6328 Ų2828%0.27614%0.143SC..G310 helixtrans-54.1-40.8171.9179.5-97.3000112.3N173 L174 K244 Y245 Y288F171-N173 PolarHBondContact O-N 2.54Å; F171-L174 HydrophobicContact CD2-CD1 3.55Å; F171-L174 HydrophobicContact CE2-CD1 3.76Å; F171-L174 HydrophobicContact CG-CD1 4.31Å; F171-L174 WeakPolarHBondContact O-CB 3.42Å; F171-L174 VanDerWaalsContact O-CG 3.24Å; F171-L174 WeakPolarHBondContact O-CG 3.35Å; F171-L174 PolarHBondContact O-N 3.47Å; F171-K244 WeakPolarHBondContact CE1-O 3.19Å; F171-Y245 HydrophobicContact CE2-CD1 4.43Å; F171-Y245 HydrophobicContact CE2-CE1 4.07Å; F171-Y245 AromaticContact CZ-CD1 3.71Å; F171-Y245 HydrophobicContact CZ-CD1 3.71Å; F171-Y245 AromaticContact CZ-CE1 3.8Å; F171-Y245 HydrophobicContact CZ-CE1 3.8Å; F171-Y288 HydrophobicContact CE1-CD2 4.3Å
172H91.3Very high95.6Very high108 Ų10827.7 Ų27.750%0.514%0.142SC..G310 helixtrans-70.3-13.8-179.1-65.288.2000113.6T170 Y288T170-H172 PolarHBondContact O-N 3.18Å; T170-H172 PolarHBondContact OG1-N 2.98Å; H172-Y288 AromaticContact CD2-CD2 3.75Å; H172-Y288 AromaticContact CD2-CE2 3.93Å; H172-Y288 AromaticContact CD2-CG 3.8Å; H172-Y288 WeakPolarHBondContact O-CB 3.5Å
173N94.2Very high95.5Very high43 Ų4330.4 Ų30.423%0.2315%0.154CC..G310 helixtrans-105.514.8177.3-68-25000112.7F167 I168 T170 F171 T175 T176 K177F167-N173 HydrophobicContact CD2-CB 3.87Å; F167-N173 HydrophobicContact CE2-CB 4.08Å; I168-N173 PolarHBondContact O-ND2 3.16Å; T170-N173 PolarHBondContact O-N 2.86Å; T170-N173 PolarHBondContact OG1-N 3.02Å; F171-N173 PolarHBondContact O-N 2.54Å; N173-T175 PolarHBondContact O-N 2.91Å; N173-T176 WeakPolarHBondContact O-CB 3.22Å; N173-T176 PolarHBondContact O-N 3.08Å; N173-T176 VanDerWaalsContact O-N 3.12Å; N173-K177 PolarHBondContact O-N 3.36Å
174L94.4Very high95.4Very high26 Ų2630.6 Ų30.614%0.13616%0.155CC..Hα-helixtrans-60.5-34.3174.2-73.5175.5000111.8F171 T176 K177 L178 D290F171-L174 HydrophobicContact CD2-CD1 3.55Å; F171-L174 HydrophobicContact CE2-CD1 3.76Å; F171-L174 HydrophobicContact CG-CD1 4.31Å; F171-L174 WeakPolarHBondContact O-CB 3.42Å; F171-L174 VanDerWaalsContact O-CG 3.24Å; F171-L174 WeakPolarHBondContact O-CG 3.35Å; F171-L174 PolarHBondContact O-N 3.47Å; L174-T176 VanDerWaalsContact C-N 3.25Å; L174-T176 PolarHBondContact O-N 2.89Å; L174-K177 HydrophobicContact CD2-CD 4.14Å; L174-K177 WeakPolarHBondContact O-CA 3.48Å; L174-K177 VanDerWaalsContact O-CB 3.3Å; L174-K177 WeakPolarHBondContact O-CB 3.07Å; L174-K177 PolarHBondContact O-N 2.87Å; L174-L178 PolarHBondContact O-N 3.42Å; L174-D290 HydrophobicContact CB-CB 3.91Å
175T94.9Very high95.4Very high5 Ų530.9 Ų30.93%0.03116%0.157CC..Hα-helixtrans-62.4-33.4175.5-67.80000112.6N173 K177 L178 I179 L287 Y288 D290 F293N173-T175 PolarHBondContact O-N 2.91Å; T175-K177 VanDerWaalsContact C-N 3.34Å; T175-K177 PolarHBondContact O-N 3.35Å; T175-L178 WeakPolarHBondContact O-CB 3.49Å; T175-L178 PolarHBondContact O-N 3.44Å; T175-I179 HydrophobicContact CG2-CD1 4.06Å; T175-I179 WeakPolarHBondContact O-CG1 3.4Å; T175-I179 PolarHBondContact O-N 3.4Å; T175-L287 PolarHBondContact OG1-O 2.86Å; T175-Y288 PolarHBondContact OG1-O 3.04Å; T175-D290 WeakPolarHBondContact OG1-CA 3.46Å; T175-F293 HydrophobicContact CG2-CB 4.36Å; T175-F293 HydrophobicContact CG2-CD1 3.39Å; T175-F293 HydrophobicContact CG2-CE1 3.74Å; T175-F293 HydrophobicContact CG2-CG 3.86Å; T175-F293 HydrophobicContact CG2-CZ 4.48Å
176T95.1Very high95.3Very high26 Ų2634.2 Ų34.216%0.1617%0.169CC..Hα-helixtrans-63.3-40.7171.6-50.70000111.2Y72 F167 N173 L174 L178 I179 M180Y72-T176 HydrophobicContact CD2-CG2 3.54Å; Y72-T176 HydrophobicContact CE2-CG2 3.49Å; Y72-T176 VanDerWaalsContact CE2-CG2 3.49Å; F167-T176 HydrophobicContact CB-CG2 4.47Å; F167-T176 HydrophobicContact CD1-CG2 3.53Å; F167-T176 HydrophobicContact CD2-CG2 4.18Å; F167-T176 HydrophobicContact CE1-CG2 3.67Å; F167-T176 HydrophobicContact CE2-CG2 4.32Å; F167-T176 HydrophobicContact CG-CG2 3.81Å; F167-T176 HydrophobicContact CZ-CG2 4.08Å; N173-T176 WeakPolarHBondContact O-CB 3.22Å; N173-T176 PolarHBondContact O-N 3.08Å; N173-T176 VanDerWaalsContact O-N 3.12Å; L174-T176 VanDerWaalsContact C-N 3.25Å; L174-T176 PolarHBondContact O-N 2.89Å; T176-L178 VanDerWaalsContact C-N 3.33Å; T176-L178 PolarHBondContact O-N 2.86Å; T176-I179 PolarHBondContact O-N 3.3Å; T176-M180 WeakPolarHBondContact O-CB 3.41Å; T176-M180 PolarHBondContact O-N 3.03Å
177K95.6Very high95.3Very high6 Ų634.9 Ų34.93%0.02617%0.171CC..Hα-helixtrans-62.9-39.4172.8-67.7-175.8-171.7-174.20112.2K100 S101 F167 N169 N173 L174 T175 M180 Q181K100-K177 HydrophobicContact CB-CD 4.35Å; K100-K177 HydrophobicContact CG-CB 4.49Å; K100-K177 HydrophobicContact CG-CD 4.25Å; S101-K177 PolarHBondContact O-NZ 3.29Å; F167-K177 HydrophobicContact CE2-CG 4.12Å; F167-K177 HydrophobicContact CZ-CG 3.62Å; N169-K177 WeakPolarHBondContact OD1-CE 3.31Å; N169-K177 PolarHBondContact OD1-NZ 3.05Å; N173-K177 PolarHBondContact O-N 3.36Å; L174-K177 HydrophobicContact CD2-CD 4.14Å; L174-K177 WeakPolarHBondContact O-CA 3.48Å; L174-K177 VanDerWaalsContact O-CB 3.3Å; L174-K177 WeakPolarHBondContact O-CB 3.07Å; L174-K177 PolarHBondContact O-N 2.87Å; T175-K177 VanDerWaalsContact C-N 3.34Å; T175-K177 PolarHBondContact O-N 3.35Å; K177-M180 WeakPolarHBondContact O-CB 3.45Å; K177-M180 PolarHBondContact O-N 3.45Å; K177-Q181 VanDerWaalsContact O-CG 3.27Å; K177-Q181 WeakPolarHBondContact O-CG 3.25Å; K177-Q181 PolarHBondContact O-N 2.96Å; K177-Q181 PolarHBondContact O-NE2 3.24Å
178L96.2Very high95.2Very high1 Ų137.7 Ų37.71%0.00518%0.182CC..Hα-helixtrans-60-54.3177.1-17496.6000110.2L174 T175 T176 M180 Q181 F182 Y266 D290 F293 M294L174-L178 PolarHBondContact O-N 3.42Å; T175-L178 WeakPolarHBondContact O-CB 3.49Å; T175-L178 PolarHBondContact O-N 3.44Å; T176-L178 VanDerWaalsContact C-N 3.33Å; T176-L178 PolarHBondContact O-N 2.86Å; L178-M180 VanDerWaalsContact C-N 3.27Å; L178-M180 PolarHBondContact O-N 3.26Å; L178-Q181 WeakPolarHBondContact O-CB 3.46Å; L178-Q181 PolarHBondContact O-N 2.87Å; L178-Q181 VanDerWaalsContact O-N 3.14Å; L178-F182 HydrophobicContact CD1-CD2 4.45Å; L178-F182 HydrophobicContact CD1-CE2 3.79Å; L178-F182 HydrophobicContact CD2-CE2 4.38Å; L178-F182 HydrophobicContact CG-CD2 3.95Å; L178-F182 HydrophobicContact CG-CE2 3.77Å; L178-F182 VanDerWaalsContact O-CD2 3.24Å; L178-F182 WeakPolarHBondContact O-CD2 3.23Å; L178-F182 PolarHBondContact O-N 2.78Å; L178-Y266 VanDerWaalsContact CD1-OH 3.26Å; L178-Y266 WeakPolarHBondContact CD1-OH 3.21Å; L178-D290 HydrophobicContact CB-CB 4.16Å; L178-D290 HydrophobicContact CD1-CB 4.39Å; L178-F293 HydrophobicContact CD2-CD1 3.65Å; L178-F293 HydrophobicContact CD2-CE1 4.26Å; L178-M294 HydrophobicContact CD1-CB 4.18Å; L178-M294 HydrophobicContact CD2-CB 4.11Å
179I96Very high95.2Very high55 Ų5534.7 Ų34.728%0.28217%0.166SC..Hα-helixtrans-56.6-44.6178.2-64.9165.6000110.3T175 T176 Q181 F182 H183 T280 F293T175-I179 HydrophobicContact CG2-CD1 4.06Å; T175-I179 WeakPolarHBondContact O-CG1 3.4Å; T175-I179 PolarHBondContact O-N 3.4Å; T176-I179 PolarHBondContact O-N 3.3Å; I179-Q181 PolarHBondContact O-N 2.98Å; I179-F182 PolarHBondContact O-N 2.93Å; I179-H183 WeakPolarHBondContact O-CB 3.42Å; I179-H183 PolarHBondContact O-N 3.26Å; I179-T280 HydrophobicContact CG1-CG2 4.1Å; I179-F293 HydrophobicContact CD1-CE1 4.2Å; I179-F293 HydrophobicContact CG1-CE1 4.1Å
180M95.6Very high95.2Very high3 Ų338.3 Ų38.32%0.01519%0.193CC..Hα-helixtrans-57.3-44.3177.3174.4-177.9176.500112.9V135 I163 Q165 F167 T176 K177 L178 W184V135-M180 HydrophobicContact CB-CE 4.34Å; V135-M180 HydrophobicContact CB-SD 4.45Å; V135-M180 HydrophobicContact CG1-CE 4.45Å; I163-M180 VanDerWaalsContact C-CE 3.44Å; I163-M180 HydrophobicContact CB-CE 3.57Å; I163-M180 HydrophobicContact CG2-CE 3.17Å; I163-M180 VanDerWaalsContact O-CE 3.26Å; I163-M180 WeakPolarHBondContact O-CE 3.26Å; Q165-M180 HydrophobicContact CB-CE 4.38Å; Q165-M180 HydrophobicContact CB-SD 4.13Å; Q165-M180 HydrophobicContact CG-CE 3.9Å; Q165-M180 HydrophobicContact CG-CG 4.34Å; Q165-M180 HydrophobicContact CG-SD 3.89Å; F167-M180 HydrophobicContact CE1-SD 4.08Å; T176-M180 WeakPolarHBondContact O-CB 3.41Å; T176-M180 PolarHBondContact O-N 3.03Å; K177-M180 WeakPolarHBondContact O-CB 3.45Å; K177-M180 PolarHBondContact O-N 3.45Å; L178-M180 VanDerWaalsContact C-N 3.27Å; L178-M180 PolarHBondContact O-N 3.26Å; M180-W184 VanDerWaalsContact O-CB 3.27Å; M180-W184 WeakPolarHBondContact O-CB 3.34Å; M180-W184 PolarHBondContact O-N 2.89Å
181Q97.6Very high95.1Very high1 Ų139.4 Ų39.41%0.00520%0.195CC..Hα-helixtrans-63-49.7178.1-72.9165.377.700111.9F98 V135 K177 L178 I179 W184 S185 T197F98-Q181 HydrophobicContact CB-CG 3.81Å; F98-Q181 HydrophobicContact CD1-CG 4.07Å; F98-Q181 HydrophobicContact CD2-CB 3.72Å; F98-Q181 HydrophobicContact CD2-CG 3.89Å; F98-Q181 HydrophobicContact CE2-CB 3.94Å; F98-Q181 HydrophobicContact CE2-CG 4.42Å; F98-Q181 VanDerWaalsContact CE2-O 3.29Å; F98-Q181 WeakPolarHBondContact CE2-O 3.48Å; F98-Q181 HydrophobicContact CG-CB 4.05Å; F98-Q181 HydrophobicContact CG-CG 3.67Å; F98-Q181 HydrophobicContact CZ-CB 4.46Å; V135-Q181 HydrophobicContact CB-CG 4.26Å; V135-Q181 HydrophobicContact CG1-CG 3.83Å; V135-Q181 HydrophobicContact CG2-CG 3.72Å; K177-Q181 VanDerWaalsContact O-CG 3.27Å; K177-Q181 WeakPolarHBondContact O-CG 3.25Å; K177-Q181 PolarHBondContact O-N 2.96Å; K177-Q181 PolarHBondContact O-NE2 3.24Å; L178-Q181 WeakPolarHBondContact O-CB 3.46Å; L178-Q181 PolarHBondContact O-N 2.87Å; L178-Q181 VanDerWaalsContact O-N 3.14Å; I179-Q181 PolarHBondContact O-N 2.98Å; Q181-W184 PolarHBondContact O-N 3.37Å; Q181-S185 WeakPolarHBondContact O-CB 3.29Å; Q181-S185 PolarHBondContact O-N 3.13Å; Q181-T197 PolarHBondContact OE1-OG1 2.75Å
182F97.8Very high95.2Very high1 Ų136.7 Ų36.70%0.00418%0.184CC..Hα-helixtrans-67.9-38.9-178.9-74.4-70.7000112.2L178 I179 Y186 L195 Y266 V268 A273 I276 M294L178-F182 HydrophobicContact CD1-CD2 4.45Å; L178-F182 HydrophobicContact CD1-CE2 3.79Å; L178-F182 HydrophobicContact CD2-CE2 4.38Å; L178-F182 HydrophobicContact CG-CD2 3.95Å; L178-F182 HydrophobicContact CG-CE2 3.77Å; L178-F182 VanDerWaalsContact O-CD2 3.24Å; L178-F182 WeakPolarHBondContact O-CD2 3.23Å; L178-F182 PolarHBondContact O-N 2.78Å; I179-F182 PolarHBondContact O-N 2.93Å; F182-Y186 WeakPolarHBondContact O-CB 3.45Å; F182-Y186 PolarHBondContact O-N 3.41Å; F182-L195 HydrophobicContact CD1-CD1 4.33Å; F182-L195 HydrophobicContact CE1-CD1 4.39Å; F182-L195 HydrophobicContact CE1-CD2 4.21Å; F182-L195 HydrophobicContact CZ-CD2 4.49Å; F182-Y266 HydrophobicContact CZ-CE2 4.35Å; F182-V268 HydrophobicContact CE1-CG2 4.17Å; F182-A273 HydrophobicContact CD1-CB 3.88Å; F182-A273 WeakPolarHBondContact CD1-O 3.27Å; F182-A273 HydrophobicContact CE1-CB 4Å; F182-I276 HydrophobicContact CD1-CB 4.13Å; F182-I276 HydrophobicContact CD1-CG2 4.11Å; F182-I276 HydrophobicContact CD2-CG2 3.75Å; F182-I276 HydrophobicContact CE1-CB 4.09Å; F182-I276 HydrophobicContact CE1-CG1 4.47Å; F182-I276 HydrophobicContact CE1-CG2 4.09Å; F182-I276 HydrophobicContact CE2-CG2 3.73Å; F182-I276 HydrophobicContact CG-CB 4.41Å; F182-I276 HydrophobicContact CG-CG2 3.96Å; F182-I276 HydrophobicContact CZ-CB 4.33Å; F182-I276 HydrophobicContact CZ-CG2 3.9Å; F182-M294 HydrophobicContact CE2-SD 3.96Å; F182-M294 HydrophobicContact CZ-CE 4.26Å; F182-M294 HydrophobicContact CZ-SD 3.8Å
183H96.3Very high95.4Very high57 Ų5736.4 Ų36.426%0.26418%0.178SC..Hα-helixtrans-60.4-48.6172.1173.2-115.8000111.6I179 S185 Y186 M187 Y277I179-H183 WeakPolarHBondContact O-CB 3.42Å; I179-H183 PolarHBondContact O-N 3.26Å; H183-S185 PolarHBondContact O-N 2.92Å; H183-Y186 PolarHBondContact O-N 3.07Å; H183-M187 WeakPolarHBondContact NE2-CG 3.43Å; H183-M187 WeakPolarHBondContact O-CB 3.45Å; H183-M187 VanDerWaalsContact O-CG 3.32Å; H183-M187 WeakPolarHBondContact O-CG 3.39Å; H183-M187 PolarHBondContact O-N 3.01Å; H183-Y277 HydrophobicContact CB-CD2 3.94Å; H183-Y277 HydrophobicContact CB-CE2 3.58Å; H183-Y277 AromaticContact CD2-CE2 3.73Å; H183-Y277 AromaticContact CD2-CZ 3.5Å; H183-Y277 PolarHBondContact CD2-OH 3.12Å; H183-Y277 VanDerWaalsContact CD2-OH 3.22Å
184W97.2Very high95.6Very high6 Ų634.5 Ų34.52%0.02317%0.168CC..Hα-helixtrans-63-44.8-178.9-168.2100.9000111.6N77 H78 K81 L96 F98 L133 I163 M180 Q181 Y186 M187 Y188 C189N77-W184 PolarHBondContact OD1-NE1 3.48Å; H78-W184 WeakPolarHBondContact O-CZ2 3.23Å; K81-W184 HydrophobicContact CB-CH2 4.11Å; K81-W184 HydrophobicContact CB-CZ2 4.37Å; L96-W184 HydrophobicContact CD1-CZ3 4.04Å; L96-W184 HydrophobicContact CD2-CE3 4.26Å; L96-W184 HydrophobicContact CD2-CZ3 4.11Å; F98-W184 HydrophobicContact CE1-CD2 4.43Å; F98-W184 HydrophobicContact CE1-CE3 4.16Å; F98-W184 HydrophobicContact CZ-CB 4.2Å; F98-W184 HydrophobicContact CZ-CD2 4.17Å; F98-W184 AromaticContact CZ-CE3 3.63Å; F98-W184 HydrophobicContact CZ-CE3 3.63Å; F98-W184 HydrophobicContact CZ-CG 4.43Å; F98-W184 HydrophobicContact CZ-CZ3 4.38Å; L133-W184 HydrophobicContact CD1-CD2 4.21Å; L133-W184 HydrophobicContact CD1-CE3 3.84Å; L133-W184 HydrophobicContact CD1-CH2 3.24Å; L133-W184 HydrophobicContact CD1-CZ2 3.64Å; L133-W184 HydrophobicContact CD1-CZ3 3.33Å; I163-W184 HydrophobicContact CD1-CB 4.4Å; I163-W184 VanDerWaalsContact CD1-CD1 3.47Å; I163-W184 HydrophobicContact CD1-CD2 3.76Å; I163-W184 HydrophobicContact CD1-CG 3.63Å; I163-W184 HydrophobicContact CD1-CZ2 4.44Å; M180-W184 VanDerWaalsContact O-CB 3.27Å; M180-W184 WeakPolarHBondContact O-CB 3.34Å; M180-W184 PolarHBondContact O-N 2.89Å; Q181-W184 PolarHBondContact O-N 3.37Å; W184-Y186 VanDerWaalsContact C-N 3.33Å; W184-Y186 PolarHBondContact O-N 3.08Å; W184-M187 PolarHBondContact O-N 3.27Å; W184-Y188 AromaticContact CD1-CD2 3.49Å; W184-Y188 VanDerWaalsContact CD1-CD2 3.49Å; W184-Y188 AromaticContact CD1-CE2 3.84Å; W184-Y188 AromaticContact CD2-CD2 3.86Å; W184-Y188 HydrophobicContact CD2-CD2 3.86Å; W184-Y188 HydrophobicContact CD2-CG 4.48Å; W184-Y188 AromaticContact CE2-CD2 3.71Å; W184-Y188 AromaticContact CG-CD2 3.74Å; W184-Y188 HydrophobicContact CG-CD2 3.74Å; W184-Y188 HydrophobicContact CG-CE2 4.4Å; W184-Y188 HydrophobicContact CZ2-CD2 4.43Å; W184-Y188 AromaticContact NE1-CD2 3.46Å; W184-Y188 AromaticContact NE1-CE2 3.99Å; W184-Y188 PolarHBondContact O-N 2.94Å; W184-C189 HydrophobicContact CE3-CB 4.28Å; W184-C189 HydrophobicContact CH2-CB 4.34Å; W184-C189 HydrophobicContact CZ3-CB 3.57Å
185S97Very high95.7Very high7 Ų733.3 Ų33.35%0.04916%0.162CC..Hα-helixtrans-56.8-46.9174.8173.30000111.6Q181 H183 M187 C189 S190Q181-S185 WeakPolarHBondContact O-CB 3.29Å; Q181-S185 PolarHBondContact O-N 3.13Å; H183-S185 PolarHBondContact O-N 2.92Å; S185-M187 PolarHBondContact O-N 3.43Å; S185-C189 CarbonylContact O-C 3.43Å; S185-C189 WeakPolarHBondContact O-CA 3.4Å; S185-C189 PolarHBondContact O-N 3.48Å; S185-S190 PolarHBondContact O-N 3.02Å; S185-S190 VanDerWaalsContact O-N 3.14Å
186Y96.3Very high95.9Very high95 Ų9533.1 Ų33.137%0.37316%0.16SC..Hα-helixtrans-61.9-41.3178.8-177.5-94.2000112.5F182 H183 W184 A274 Y277 H278F182-Y186 WeakPolarHBondContact O-CB 3.45Å; F182-Y186 PolarHBondContact O-N 3.41Å; H183-Y186 PolarHBondContact O-N 3.07Å; W184-Y186 VanDerWaalsContact C-N 3.33Å; W184-Y186 PolarHBondContact O-N 3.08Å; Y186-A274 HydrophobicContact CD2-CB 4.1Å; Y186-A274 HydrophobicContact CE2-CB 4.4Å; Y186-Y277 AromaticContact CD1-CD1 3.77Å; Y186-Y277 HydrophobicContact CD1-CD1 3.77Å; Y186-Y277 AromaticContact CD1-CE1 3.7Å; Y186-Y277 HydrophobicContact CD1-CE1 3.7Å; Y186-Y277 HydrophobicContact CD2-CD1 4.03Å; Y186-Y277 HydrophobicContact CE1-CD1 4.35Å; Y186-Y277 HydrophobicContact CE1-CE1 4.15Å; Y186-Y277 AromaticContact CG-CD1 3.59Å; Y186-Y277 HydrophobicContact CG-CD1 3.59Å; Y186-Y277 HydrophobicContact CG-CE1 4.03Å; Y186-Y277 HydrophobicContact CG-CG 4.49Å; Y186-H278 AromaticContact CE2-NE2 3.74Å
187M95.1Very high96Very high96 Ų9631.9 Ų31.947%0.47315%0.153SC..Hα-helixtrans-81.7-35.1-174.6-68.7-58-6700114.3H183 W184 S185H183-M187 WeakPolarHBondContact NE2-CG 3.43Å; H183-M187 WeakPolarHBondContact O-CB 3.45Å; H183-M187 VanDerWaalsContact O-CG 3.32Å; H183-M187 WeakPolarHBondContact O-CG 3.39Å; H183-M187 PolarHBondContact O-N 3.01Å; W184-M187 PolarHBondContact O-N 3.27Å; S185-M187 PolarHBondContact O-N 3.43Å
188Y94.9Very high96.1Very high63 Ų6331.6 Ų31.625%0.24715%0.152CC..Hα-helixtrans-124.1-10.8-166.3-55.8-62000114.6P79 W184P79-Y188 HydrophobicContact CB-CD1 3.53Å; P79-Y188 HydrophobicContact CB-CE1 3.61Å; P79-Y188 HydrophobicContact CB-CG 4.19Å; W184-Y188 AromaticContact CD1-CD2 3.49Å; W184-Y188 VanDerWaalsContact CD1-CD2 3.49Å; W184-Y188 AromaticContact CD1-CE2 3.84Å; W184-Y188 AromaticContact CD2-CD2 3.86Å; W184-Y188 HydrophobicContact CD2-CD2 3.86Å; W184-Y188 HydrophobicContact CD2-CG 4.48Å; W184-Y188 AromaticContact CE2-CD2 3.71Å; W184-Y188 AromaticContact CG-CD2 3.74Å; W184-Y188 HydrophobicContact CG-CD2 3.74Å; W184-Y188 HydrophobicContact CG-CE2 4.4Å; W184-Y188 HydrophobicContact CZ2-CD2 4.43Å; W184-Y188 AromaticContact NE1-CD2 3.46Å; W184-Y188 AromaticContact NE1-CE2 3.99Å; W184-Y188 PolarHBondContact O-N 2.94Å
189C95.3Very high96.2Very high0 Ų033.3 Ų33.30%016%0.161CC..  trans-151.146.1-174.4-159.30000112.4C82 L96 W184 S185 Q191 A192C82-C189 HydrophobicContact CB-CB 3.62Å; C82-C189 WeakPolarHBondContact CB-SG 3.31Å; C82-C189 WeakPolarHBondContact SG-CB 3.48Å; C82-C189 CovalentContact SG-SG 2.04Å; C82-C189 PolarHBondContact SG-SG 3.35Å; L96-C189 HydrophobicContact CD2-CB 3.88Å; W184-C189 HydrophobicContact CE3-CB 4.28Å; W184-C189 HydrophobicContact CH2-CB 4.34Å; W184-C189 HydrophobicContact CZ3-CB 3.57Å; S185-C189 CarbonylContact O-C 3.43Å; S185-C189 WeakPolarHBondContact O-CA 3.4Å; S185-C189 PolarHBondContact O-N 3.48Å; C189-Q191 VanDerWaalsContact CA-OE1 3.24Å; C189-Q191 PolarHBondContact O-N 2.89Å; C189-A192 PolarHBondContact O-N 2.9Å
190S92.9Very high96.3Very high93 Ų9331.1 Ų31.165%0.6515%0.15SC*.THydrogen-bonded Turntrans-70.5-16-176.657.10000113.7S185S185-S190 PolarHBondContact O-N 3.02Å; S185-S190 VanDerWaalsContact O-N 3.14Å
191Q91.5Very high96.3Very high72 Ų7232.5 Ų32.534%0.33616%0.157SC..THydrogen-bonded Turntrans-78.7-14.1175.973-82.430.600113.9C82 C189 R193C82-Q191 PolarHBondContact O-NE2 3.36Å; C189-Q191 VanDerWaalsContact CA-OE1 3.24Å; C189-Q191 PolarHBondContact O-N 2.89Å; Q191-R193 PolarHBondContact O-N 3.47Å
192A94.8Very high96.3Very high6 Ų632.4 Ų32.45%0.0516%0.157CC..  trans-61.4129.5-179.800000111.2V93 L96 C189V93-A192 HydrophobicContact CB-CB 4.2Å; V93-A192 HydrophobicContact CG1-CB 3.94Å; V93-A192 WeakPolarHBondContact O-CA 3.29Å; L96-A192 HydrophobicContact CB-CB 3.92Å; C189-A192 PolarHBondContact O-N 2.9Å
193R94.8Very high96.3Very high103 Ų10332.4 Ų32.439%0.38916%0.157SC..SBendtrans-67-41.4-177.9-59.9-170.7-175.9-159.24.4111.8D92 V93 Q191 G270D92-R193 IonicContact OD1-CZ 3.16Å; D92-R193 IonicContact OD1-NE 2.73Å; D92-R193 PolarHBondContact OD1-NE 2.89Å; D92-R193 IonicContact OD1-NH2 2.83Å; D92-R193 PolarHBondContact OD1-NH2 3.45Å; D92-R193 IonicContact OD2-CZ 3.66Å; D92-R193 IonicContact OD2-NE 3.94Å; D92-R193 IonicContact OD2-NH2 2.81Å; D92-R193 PolarHBondContact OD2-NH2 2.86Å; V93-R193 PolarHBondContact O-N 3.41Å; Q191-R193 PolarHBondContact O-N 3.47Å; R193-G270 PolarHBondContact O-N 2.77Å
194F97.5Very high96.4Very high3 Ų329.7 Ų29.71%0.01314%0.144CC..EExtended strand (participates in β ladder)trans-130.6151.7177.9-58.6-75000111.5L94 L95 L96 L213 L217 T223 L226 V267 V268L94-F194 HydrophobicContact CD1-CD2 3.93Å; L94-F194 HydrophobicContact CD1-CE2 3.99Å; L94-F194 WeakPolarHBondContact O-CD2 3.42Å; L94-F194 PolarHBondContact O-N 2.55Å; L95-F194 WeakPolarHBondContact CA-O 3.35Å; L95-F194 HydrophobicContact CD1-CB 3.76Å; L96-F194 PolarHBondContact N-O 3.43Å; F194-L213 HydrophobicContact CB-CD1 4.36Å; F194-L213 HydrophobicContact CD1-CD2 4.2Å; F194-L213 HydrophobicContact CD2-CB 4.11Å; F194-L213 HydrophobicContact CD2-CD1 4.01Å; F194-L213 HydrophobicContact CD2-CD2 4.12Å; F194-L213 HydrophobicContact CD2-CG 4.29Å; F194-L213 HydrophobicContact CE1-CD2 4.35Å; F194-L213 HydrophobicContact CE2-CB 3.94Å; F194-L213 HydrophobicContact CE2-CD2 4.25Å; F194-L213 HydrophobicContact CE2-CG 4.49Å; F194-L213 HydrophobicContact CG-CD1 4.27Å; F194-L213 HydrophobicContact CG-CD2 4.09Å; F194-L213 HydrophobicContact CZ-CD2 4.37Å; F194-L217 HydrophobicContact CE2-CD1 4.03Å; F194-L217 HydrophobicContact CE2-CD2 3.91Å; F194-L217 HydrophobicContact CE2-CG 3.86Å; F194-L217 HydrophobicContact CZ-CD2 3.92Å; F194-L217 HydrophobicContact CZ-CG 4.09Å; F194-T223 HydrophobicContact CE1-CG2 4.45Å; F194-L226 HydrophobicContact CD1-CD2 3.88Å; F194-L226 HydrophobicContact CE1-CD2 3.52Å; F194-V267 HydrophobicContact CB-CG1 3.88Å; F194-V267 HydrophobicContact CD1-CG1 4.13Å; F194-V267 HydrophobicContact CG-CG1 4.27Å; F194-V268 CarbonylContact C-O 3.56Å; F194-V268 VanDerWaalsContact CA-O 3.3Å; F194-V268 WeakPolarHBondContact CA-O 3.39Å
195L98.1Very high96.4Very high1 Ų129.9 Ų29.91%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-119.1129.8168.3178.3157.5000108.3L96 F98 F182 V267 V268 A273L96-L195 HydrophobicContact CD2-CD1 4.43Å; L96-L195 CarbonylContact O-C 3.59Å; L96-L195 WeakPolarHBondContact O-CA 3.42Å; F98-L195 HydrophobicContact CD2-CD1 3.92Å; F98-L195 HydrophobicContact CD2-CD2 4.38Å; F98-L195 HydrophobicContact CD2-CG 4.05Å; F98-L195 HydrophobicContact CE2-CD1 3.74Å; F98-L195 HydrophobicContact CE2-CG 4.3Å; F182-L195 HydrophobicContact CD1-CD1 4.33Å; F182-L195 HydrophobicContact CE1-CD1 4.39Å; F182-L195 HydrophobicContact CE1-CD2 4.21Å; F182-L195 HydrophobicContact CZ-CD2 4.49Å; L195-V267 CarbonylContact O-C 3.56Å; L195-V267 WeakPolarHBondContact O-CA 3.27Å; L195-V268 HydrophobicContact CB-CG2 3.85Å; L195-V268 HydrophobicContact CD2-CG2 4.01Å; L195-V268 HydrophobicContact CG-CG2 4.46Å; L195-V268 PolarHBondContact N-O 3.21Å; L195-V268 PolarHBondContact O-N 3.48Å; L195-A273 HydrophobicContact CB-CB 4.39Å; L195-A273 HydrophobicContact CD1-CB 4.07Å
196M98.5Very high96.5Very high0 Ų029.5 Ų29.50%014%0.143CC..EExtended strand (participates in β ladder)trans-112.6138.1168.1178.2169-175.700109.8L95 L96 L97 F98 A198 V204 L209 Y266 V267 T329L95-M196 HydrophobicContact CD1-CB 3.79Å; L95-M196 HydrophobicContact CD2-CB 4.38Å; L95-M196 HydrophobicContact CG-CB 4.39Å; L96-M196 PolarHBondContact O-N 2.65Å; L97-M196 HydrophobicContact CD1-CB 3.89Å; L97-M196 HydrophobicContact CD1-CG 3.77Å; L97-M196 HydrophobicContact CD1-SD 3.9Å; F98-M196 PolarHBondContact N-O 3.05Å; M196-A198 HydrophobicContact CE-CB 4.3Å; M196-V204 HydrophobicContact CE-CB 4.41Å; M196-V204 HydrophobicContact CE-CG1 3.95Å; M196-V204 HydrophobicContact CE-CG2 3.52Å; M196-V204 HydrophobicContact SD-CG1 4.21Å; M196-V204 HydrophobicContact SD-CG2 4.47Å; M196-L209 HydrophobicContact CE-CD2 4.48Å; M196-L209 HydrophobicContact SD-CD2 3.42Å; M196-L209 WeakPolarHBondContact SD-CD2 3.44Å; M196-Y266 WeakPolarHBondContact CA-O 3.37Å; M196-Y266 WeakPolarHBondContact CG-O 3.33Å; M196-V267 HydrophobicContact CB-CG2 4.1Å; M196-V267 HydrophobicContact CG-CG2 4.17Å; M196-V267 HydrophobicContact SD-CG2 4.23Å; M196-T329 HydrophobicContact CE-CG2 3.88Å
197T97.9Very high96.5Very high1 Ų125.9 Ų25.91%0.00613%0.131CC..EExtended strand (participates in β ladder)trans-110.4146.3162.2-167.40000109.2F98 Q181 G265 Y266F98-T197 CarbonylContact O-C 3.43Å; F98-T197 WeakPolarHBondContact O-CA 3.31Å; Q181-T197 PolarHBondContact OE1-OG1 2.75Å; T197-G265 WeakPolarHBondContact O-CA 3.4Å; T197-Y266 HydrophobicContact CG2-CD1 3.56Å; T197-Y266 HydrophobicContact CG2-CD2 4.01Å; T197-Y266 HydrophobicContact CG2-CE1 3.14Å; T197-Y266 HydrophobicContact CG2-CE2 3.61Å; T197-Y266 HydrophobicContact CG2-CG 3.99Å; T197-Y266 PolarHBondContact N-O 3.14Å; T197-Y266 PolarHBondContact O-N 2.95Å
198A97.6Very high96.6Very high0 Ų021.9 Ų21.90%011%0.112CC..EExtended strand (participates in β ladder)trans-149.6157.4173.100000110.4F98 V99 K100 W116 M196 I202F98-A198 PolarHBondContact O-N 3Å; V99-A198 CarbonylContact C-O 3.56Å; V99-A198 VanDerWaalsContact CA-O 3.31Å; V99-A198 WeakPolarHBondContact CA-O 3.49Å; K100-A198 PolarHBondContact N-O 2.95Å; W116-A198 HydrophobicContact CH2-CB 4.46Å; M196-A198 HydrophobicContact CE-CB 4.3Å; A198-I202 HydrophobicContact CB-CB 4.47Å
199D97.3Very high96.7Very high36 Ų3618.9 Ų18.919%0.19310%0.1CC..EExtended strand (participates in β ladder)trans-82.1160.2167.7-69-29000111.2K100 D201 I202K100-D199 WeakPolarHBondContact CE-OD1 3.37Å; K100-D199 IonicContact NZ-OD1 3.69Å; K100-D199 PolarHBondContact NZ-OD1 3.16Å; D199-D201 WeakPolarHBondContact CB-OD1 3.29Å; D199-D201 PolarHBondContact O-N 3.03Å; D199-I202 HydrophobicContact CB-CD1 4.27Å; D199-I202 HydrophobicContact CB-CG1 3.75Å; D199-I202 WeakPolarHBondContact O-CB 3.46Å; D199-I202 VanDerWaalsContact O-CG1 3.25Å; D199-I202 WeakPolarHBondContact O-CG1 3.31Å; D199-I202 PolarHBondContact O-N 3.44Å
200D97.7Very high96.8Very high10 Ų1019 Ų195%0.05310%0.1CC..THydrogen-bonded Turntrans-771.8-177.874.412.3000115.3V99 K100 S101 N105 R108 I112V99-D200 HydrophobicContact CG1-CB 3.84Å; K100-D200 PolarHBondContact O-N 2.87Å; K100-D200 VanDerWaalsContact O-N 3.14Å; S101-D200 VanDerWaalsContact CA-OD2 3.28Å; S101-D200 WeakPolarHBondContact CA-OD2 3.47Å; S101-D200 WeakPolarHBondContact CB-OD2 3.4Å; S101-D200 PolarHBondContact OG-OD2 3.48Å; N105-D200 VanDerWaalsContact CB-OD2 3.29Å; N105-D200 WeakPolarHBondContact CB-OD2 3.14Å; N105-D200 PolarHBondContact ND2-OD1 3.25Å; N105-D200 PolarHBondContact ND2-OD2 3.06Å; R108-D200 HydrophobicContact CB-CB 4.39Å; R108-D200 VanDerWaalsContact CD-OD1 3.22Å; R108-D200 WeakPolarHBondContact CD-OD1 3.31Å; R108-D200 IonicContact CZ-OD1 2.69Å; R108-D200 IonicContact NE-OD1 3.65Å; R108-D200 IonicContact NH1-OD1 2.86Å; R108-D200 PolarHBondContact NH1-OD1 2.95Å; I112-D200 HydrophobicContact CD1-CB 4.2Å
201D97.1Very high97Very high31 Ų3121.3 Ų21.317%0.16610%0.095CC..THydrogen-bonded Turntrans-113.529.1171.165-10.1000112.2D199 G332 H333D199-D201 WeakPolarHBondContact CB-OD1 3.29Å; D199-D201 PolarHBondContact O-N 3.03Å; D201-G332 CarbonylContact O-C 3.56Å; D201-G332 WeakPolarHBondContact O-CA 3.36Å; D201-G332 PolarHBondContact O-N 3.48Å; D201-H333 PolarHBondContact O-N 3.41Å
202I97.4Very high97.2Very high0 Ų020.2 Ų20.20%09%0.088CC..EExtended strand (participates in β ladder)trans-107.8148178-51.6-64.8000109.3W116 A198 D199 V204 A264 S330 H331W116-I202 VanDerWaalsContact CZ2-O 3.25Å; W116-I202 WeakPolarHBondContact CZ2-O 3.35Å; W116-I202 PolarHBondContact NE1-O 2.87Å; W116-I202 VanDerWaalsContact NE1-O 3.1Å; A198-I202 HydrophobicContact CB-CB 4.47Å; D199-I202 HydrophobicContact CB-CD1 4.27Å; D199-I202 HydrophobicContact CB-CG1 3.75Å; D199-I202 WeakPolarHBondContact O-CB 3.46Å; D199-I202 VanDerWaalsContact O-CG1 3.25Å; D199-I202 WeakPolarHBondContact O-CG1 3.31Å; D199-I202 PolarHBondContact O-N 3.44Å; I202-V204 HydrophobicContact CG2-CG2 4.33Å; I202-A264 HydrophobicContact CD1-CB 3.86Å; I202-A264 WeakPolarHBondContact CG1-O 3.44Å; I202-S330 WeakPolarHBondContact CA-O 3.49Å; I202-S330 WeakPolarHBondContact CG2-O 3.26Å; I202-H331 HydrophobicContact CD1-CB 3.93Å; I202-H331 WeakPolarHBondContact CD1-CD2 3.33Å
203F97.8Very high97.3Very high0 Ų020 Ų200%09%0.086CC..EExtended strand (participates in β ladder)trans-102.6129.3164.2-179.7-90.1000109H205 M327 T329 S330 H333 V337 L340 W341 A344F203-H205 HydrophobicContact CE1-CB 3.93Å; F203-M327 HydrophobicContact CD1-CE 3.79Å; F203-M327 HydrophobicContact CD1-SD 4.37Å; F203-M327 HydrophobicContact CE1-CE 3.62Å; F203-T329 CarbonylContact O-C 3.57Å; F203-T329 VanDerWaalsContact O-CA 3.23Å; F203-T329 WeakPolarHBondContact O-CA 3.34Å; F203-S330 PolarHBondContact N-O 2.91Å; F203-S330 PolarHBondContact O-N 2.85Å; F203-H333 VanDerWaalsContact CB-CD2 3.43Å; F203-H333 WeakPolarHBondContact CB-CD2 3.28Å; F203-V337 HydrophobicContact CD2-CG1 4.27Å; F203-L340 HydrophobicContact CB-CD2 3.73Å; F203-L340 HydrophobicContact CD1-CD2 3.87Å; F203-L340 HydrophobicContact CD1-CG 4.28Å; F203-L340 HydrophobicContact CD2-CB 4.17Å; F203-L340 HydrophobicContact CD2-CD2 3.73Å; F203-L340 HydrophobicContact CD2-CG 3.85Å; F203-L340 HydrophobicContact CE1-CD2 4.44Å; F203-L340 HydrophobicContact CE1-CG 4.38Å; F203-L340 HydrophobicContact CE2-CB 4.28Å; F203-L340 HydrophobicContact CE2-CD2 4.31Å; F203-L340 HydrophobicContact CE2-CG 3.94Å; F203-L340 HydrophobicContact CG-CD2 3.47Å; F203-L340 VanDerWaalsContact CG-CD2 3.47Å; F203-L340 HydrophobicContact CG-CG 4.02Å; F203-L340 HydrophobicContact CZ-CG 4.21Å; F203-W341 HydrophobicContact CE2-CB 3.95Å; F203-W341 AromaticContact CE2-CE3 3.81Å; F203-W341 HydrophobicContact CE2-CE3 3.81Å; F203-W341 AromaticContact CZ-CE3 3.8Å; F203-W341 HydrophobicContact CZ-CE3 3.8Å; F203-W341 HydrophobicContact CZ-CZ3 4.48Å; F203-A344 HydrophobicContact CE1-CB 4.47Å; F203-A344 HydrophobicContact CZ-CB 4.13Å
204V98.2Very high97.3Very high0 Ų018.8 Ų18.80%09%0.085CC..EExtended strand (participates in β ladder)trans-112.2122172.8-176.90000108.9W116 M196 I202 M206 L209 I328W116-V204 HydrophobicContact CB-CB 4.34Å; W116-V204 WeakPolarHBondContact CB-O 3.09Å; W116-V204 HydrophobicContact CD2-CB 3.91Å; W116-V204 HydrophobicContact CD2-CG2 4.09Å; W116-V204 HydrophobicContact CE3-CB 3.86Å; W116-V204 HydrophobicContact CE3-CG2 3.87Å; W116-V204 HydrophobicContact CG-CB 4.16Å; W116-V204 HydrophobicContact CH2-CG2 4.19Å; W116-V204 HydrophobicContact CZ2-CG2 4.38Å; W116-V204 HydrophobicContact CZ3-CB 4.44Å; W116-V204 HydrophobicContact CZ3-CG2 3.93Å; M196-V204 HydrophobicContact CE-CB 4.41Å; M196-V204 HydrophobicContact CE-CG1 3.95Å; M196-V204 HydrophobicContact CE-CG2 3.52Å; M196-V204 HydrophobicContact SD-CG1 4.21Å; M196-V204 HydrophobicContact SD-CG2 4.47Å; I202-V204 HydrophobicContact CG2-CG2 4.33Å; V204-M206 VanDerWaalsContact C-N 3.29Å; V204-M206 HydrophobicContact CG1-CE 4.15Å; V204-M206 PolarHBondContact O-N 3.48Å; V204-L209 HydrophobicContact CG1-CB 4.5Å; V204-L209 HydrophobicContact CG1-CD2 3.75Å; V204-I328 CarbonylContact C-O 3.52Å; V204-I328 WeakPolarHBondContact CA-O 3.45Å
205H97.6Very high97.1Very high10 Ų1024.3 Ų24.35%0.04611%0.11CC..  trans-79.580.9173.5-165.6-63.1000109.9F203 N208 L209 Y324 M327 I328F203-H205 HydrophobicContact CE1-CB 3.93Å; H205-N208 HydrophobicContact CB-CB 4.26Å; H205-N208 VanDerWaalsContact CE1-CG 3.47Å; H205-N208 PolarHBondContact CE1-ND2 3.43Å; H205-N208 PolarHBondContact CE1-OD1 3.18Å; H205-N208 WeakPolarHBondContact ND1-CB 3.47Å; H205-N208 PolarHBondContact ND1-N 3.29Å; H205-N208 PolarHBondContact ND1-ND2 3.28Å; H205-N208 PolarHBondContact O-N 3.39Å; H205-L209 PolarHBondContact O-N 3.25Å; H205-Y324 PolarHBondContact CD2-O 2.69Å; H205-M327 HydrophobicContact CB-CG 4.39Å; H205-M327 WeakPolarHBondContact CB-O 3.43Å; H205-I328 PolarHBondContact N-O 3.21Å
206M97.6Very high96.8Very high0 Ų024.6 Ų24.60%011%0.112CC..Hα-helixtrans-53-41.6-169.9-164.356.471.400114.5L95 L97 W116 V122 L126 V204 N208 L209 V210 W341L95-M206 HydrophobicContact CD2-SD 4.32Å; L97-M206 HydrophobicContact CD2-CE 3.7Å; W116-M206 HydrophobicContact CE3-CE 4.44Å; W116-M206 WeakPolarHBondContact O-CE 3.41Å; V122-M206 HydrophobicContact CG2-CG 3.52Å; L126-M206 HydrophobicContact CD1-CG 4.21Å; V204-M206 VanDerWaalsContact C-N 3.29Å; V204-M206 HydrophobicContact CG1-CE 4.15Å; V204-M206 PolarHBondContact O-N 3.48Å; M206-N208 VanDerWaalsContact C-N 3.33Å; M206-N208 PolarHBondContact O-N 3.45Å; M206-L209 PolarHBondContact O-N 3.46Å; M206-L209 HydrophobicContact SD-CD2 4.07Å; M206-V210 HydrophobicContact CG-CG2 4.32Å; M206-V210 WeakPolarHBondContact O-CB 3.36Å; M206-V210 WeakPolarHBondContact O-CG2 3.41Å; M206-V210 PolarHBondContact O-N 2.98Å; M206-V210 HydrophobicContact SD-CG2 4.18Å; M206-W341 HydrophobicContact CB-CH2 4.42Å; M206-W341 HydrophobicContact CB-CZ3 4.47Å
207P96.8Very high96.4Very high19 Ų1926.9 Ų26.912%0.12312%0.124CC..Hα-helixtrans-60.9-36174.9-25.534.3000115L126 R211 I345L126-P207 HydrophobicContact CD1-CB 4.43Å; L126-P207 HydrophobicContact CD1-CG 4.31Å; L126-P207 HydrophobicContact CD2-CB 4Å; L126-P207 HydrophobicContact CD2-CG 4.21Å; P207-R211 VanDerWaalsContact O-CB 3.3Å; P207-R211 WeakPolarHBondContact O-CB 3.43Å; P207-R211 PolarHBondContact O-N 2.91Å; P207-R211 VanDerWaalsContact O-N 3.08Å; P207-I345 HydrophobicContact CG-CD1 3.72Å
208N96.9Very high96Very high12 Ų1232.6 Ų32.66%0.06416%0.158CC..Hα-helixtrans-76.1-40-179.6-72.7-9.9000110H205 M206 R211 Y212 Y324 D325 M327H205-N208 HydrophobicContact CB-CB 4.26Å; H205-N208 VanDerWaalsContact CE1-CG 3.47Å; H205-N208 PolarHBondContact CE1-ND2 3.43Å; H205-N208 PolarHBondContact CE1-OD1 3.18Å; H205-N208 WeakPolarHBondContact ND1-CB 3.47Å; H205-N208 PolarHBondContact ND1-N 3.29Å; H205-N208 PolarHBondContact ND1-ND2 3.28Å; H205-N208 PolarHBondContact O-N 3.39Å; M206-N208 VanDerWaalsContact C-N 3.33Å; M206-N208 PolarHBondContact O-N 3.45Å; N208-R211 PolarHBondContact O-N 3.41Å; N208-R211 PolarHBondContact OD1-NH1 2.82Å; N208-Y212 WeakPolarHBondContact O-CB 3.49Å; N208-Y212 PolarHBondContact O-N 2.93Å; N208-Y324 PolarHBondContact ND2-O 2.75Å; N208-D325 PolarHBondContact ND2-O 3.19Å; N208-D325 VanDerWaalsContact ND2-O 3.09Å; N208-D325 PolarHBondContact OD1-O 3.02Å; N208-M327 WeakPolarHBondContact CB-O 3.28Å; N208-M327 PolarHBondContact ND2-O 3.36Å
209L98.2Very high95.4Very high0 Ų035.3 Ų35.30%018%0.177CC..Hα-helixtrans-59.9-52.1173.8178.459.6000111.3L95 M196 V204 H205 M206 R211 Y212 L213 V267 F311 I328L95-L209 HydrophobicContact CD2-CD2 3.8Å; M196-L209 HydrophobicContact CE-CD2 4.48Å; M196-L209 HydrophobicContact SD-CD2 3.42Å; M196-L209 WeakPolarHBondContact SD-CD2 3.44Å; V204-L209 HydrophobicContact CG1-CB 4.5Å; V204-L209 HydrophobicContact CG1-CD2 3.75Å; H205-L209 PolarHBondContact O-N 3.25Å; M206-L209 PolarHBondContact O-N 3.46Å; M206-L209 HydrophobicContact SD-CD2 4.07Å; L209-R211 VanDerWaalsContact C-N 3.34Å; L209-R211 PolarHBondContact O-N 3.26Å; L209-Y212 WeakPolarHBondContact O-CB 3.24Å; L209-Y212 PolarHBondContact O-N 2.64Å; L209-Y212 VanDerWaalsContact O-N 3.16Å; L209-L213 HydrophobicContact CD1-CD1 4.07Å; L209-L213 HydrophobicContact CD1-CD2 4.4Å; L209-L213 HydrophobicContact CD1-CG 4.06Å; L209-L213 HydrophobicContact CG-CD1 4.11Å; L209-L213 HydrophobicContact CG-CG 4.43Å; L209-L213 WeakPolarHBondContact O-CG 3.45Å; L209-L213 PolarHBondContact O-N 3.11Å; L209-V267 HydrophobicContact CD1-CG2 3.95Å; L209-F311 HydrophobicContact CD1-CZ 4.38Å; L209-I328 HydrophobicContact CB-CG2 4.18Å; L209-I328 HydrophobicContact CD1-CG2 4Å
210V97.6Very high94.5Very high2 Ų238.4 Ų38.41%0.01219%0.191CC..Hα-helixtrans-59.3-45.7179.4168.50000111L94 L126 V128 M206 Y212 L213 Q214L94-V210 HydrophobicContact CD2-CG1 4.2Å; L126-V210 HydrophobicContact CB-CG1 4.23Å; L126-V210 HydrophobicContact CD1-CB 4.13Å; L126-V210 HydrophobicContact CD1-CG2 3.86Å; V128-V210 HydrophobicContact CG1-CG1 4.11Å; V128-V210 HydrophobicContact CG2-CB 4.44Å; V128-V210 HydrophobicContact CG2-CG1 3.64Å; V128-V210 HydrophobicContact CG2-CG2 3.87Å; M206-V210 HydrophobicContact CG-CG2 4.32Å; M206-V210 WeakPolarHBondContact O-CB 3.36Å; M206-V210 WeakPolarHBondContact O-CG2 3.41Å; M206-V210 PolarHBondContact O-N 2.98Å; M206-V210 HydrophobicContact SD-CG2 4.18Å; V210-Y212 VanDerWaalsContact C-N 3.3Å; V210-Y212 PolarHBondContact O-N 2.9Å; V210-L213 PolarHBondContact O-N 2.88Å; V210-Q214 HydrophobicContact CG1-CG 4.2Å; V210-Q214 WeakPolarHBondContact O-CB 3.29Å; V210-Q214 WeakPolarHBondContact O-CG 3.35Å; V210-Q214 PolarHBondContact O-N 3.38Å
211R96.3Very high92.9Very high142 Ų14243.3 Ų43.354%0.53622%0.223SC..Hα-helixtrans-56.3-45175.9-173-173.1-57120.25.6111.7P207 N208 L209 H215P207-R211 VanDerWaalsContact O-CB 3.3Å; P207-R211 WeakPolarHBondContact O-CB 3.43Å; P207-R211 PolarHBondContact O-N 2.91Å; P207-R211 VanDerWaalsContact O-N 3.08Å; N208-R211 PolarHBondContact O-N 3.41Å; N208-R211 PolarHBondContact OD1-NH1 2.82Å; L209-R211 VanDerWaalsContact C-N 3.34Å; L209-R211 PolarHBondContact O-N 3.26Å; R211-H215 WeakPolarHBondContact O-CB 3.4Å; R211-H215 PolarHBondContact O-N 3.25Å
212Y96.3Very high91.2Very high49 Ų4944.6 Ų44.619%0.19224%0.243CC..Hα-helixtrans-62.1-47.5177172.5-108.2000112N208 L209 V210 H215 L216 V228 H308 I328N208-Y212 WeakPolarHBondContact O-CB 3.49Å; N208-Y212 PolarHBondContact O-N 2.93Å; L209-Y212 WeakPolarHBondContact O-CB 3.24Å; L209-Y212 PolarHBondContact O-N 2.64Å; L209-Y212 VanDerWaalsContact O-N 3.16Å; V210-Y212 VanDerWaalsContact C-N 3.3Å; V210-Y212 PolarHBondContact O-N 2.9Å; Y212-H215 PolarHBondContact O-N 3.33Å; Y212-L216 HydrophobicContact CD1-CD1 4.24Å; Y212-L216 HydrophobicContact CE1-CD1 3.6Å; Y212-L216 HydrophobicContact CE1-CG 4.36Å; Y212-L216 HydrophobicContact CE2-CD1 4.25Å; Y212-L216 HydrophobicContact CE2-CD2 4.32Å; Y212-L216 HydrophobicContact CE2-CG 4.22Å; Y212-L216 WeakPolarHBondContact O-CG 3.33Å; Y212-L216 PolarHBondContact O-N 2.88Å; Y212-V228 HydrophobicContact CE1-CG1 4.14Å; Y212-H308 AromaticContact CD2-NE2 3.9Å; Y212-H308 AromaticContact CE2-CD2 3.68Å; Y212-H308 AromaticContact CE2-NE2 3.78Å; Y212-H308 AromaticContact CZ-CD2 3.76Å; Y212-I328 HydrophobicContact CG-CD1 4.42Å
213L96.1Very high89.6Confident0 Ų045.7 Ų45.70%025%0.25CS..Hα-helixtrans-65.8-41.4-179.7-63.1-179.5000112.6L95 F194 L209 V210 L216 L217 V267L95-L213 HydrophobicContact CD1-CD1 4.06Å; L95-L213 HydrophobicContact CD2-CD1 4.46Å; F194-L213 HydrophobicContact CB-CD1 4.36Å; F194-L213 HydrophobicContact CD1-CD2 4.2Å; F194-L213 HydrophobicContact CD2-CB 4.11Å; F194-L213 HydrophobicContact CD2-CD1 4.01Å; F194-L213 HydrophobicContact CD2-CD2 4.12Å; F194-L213 HydrophobicContact CD2-CG 4.29Å; F194-L213 HydrophobicContact CE1-CD2 4.35Å; F194-L213 HydrophobicContact CE2-CB 3.94Å; F194-L213 HydrophobicContact CE2-CD2 4.25Å; F194-L213 HydrophobicContact CE2-CG 4.49Å; F194-L213 HydrophobicContact CG-CD1 4.27Å; F194-L213 HydrophobicContact CG-CD2 4.09Å; F194-L213 HydrophobicContact CZ-CD2 4.37Å; L209-L213 HydrophobicContact CD1-CD1 4.07Å; L209-L213 HydrophobicContact CD1-CD2 4.4Å; L209-L213 HydrophobicContact CD1-CG 4.06Å; L209-L213 HydrophobicContact CG-CD1 4.11Å; L209-L213 HydrophobicContact CG-CG 4.43Å; L209-L213 WeakPolarHBondContact O-CG 3.45Å; L209-L213 PolarHBondContact O-N 3.11Å; V210-L213 PolarHBondContact O-N 2.88Å; L213-L216 HydrophobicContact CD2-CD1 4.46Å; L213-L216 PolarHBondContact O-N 2.67Å; L213-L217 WeakPolarHBondContact O-CG 3.4Å; L213-L217 PolarHBondContact O-N 3Å; L213-L217 VanDerWaalsContact O-N 3.07Å; L213-V267 HydrophobicContact CD2-CG1 3.94Å
214Q94.3Very high88.6Confident79 Ų7953.2 Ų53.237%0.36928%0.283SS..Hα-helixtrans-63.2-42.4174.2-73.4176.7-39.400111.5L94 V128 V210 L216 L217 V218L94-Q214 HydrophobicContact CD2-CG 4.39Å; V128-Q214 HydrophobicContact CG1-CG 4.5Å; V210-Q214 HydrophobicContact CG1-CG 4.2Å; V210-Q214 WeakPolarHBondContact O-CB 3.29Å; V210-Q214 WeakPolarHBondContact O-CG 3.35Å; V210-Q214 PolarHBondContact O-N 3.38Å; Q214-L216 VanDerWaalsContact C-N 3.31Å; Q214-L216 PolarHBondContact O-N 3.48Å; Q214-L217 WeakPolarHBondContact O-CB 3.2Å; Q214-L217 PolarHBondContact O-N 2.99Å; Q214-L217 VanDerWaalsContact O-N 3.16Å; Q214-V218 PolarHBondContact O-N 3.43Å; Q214-V218 VanDerWaalsContact O-N 3.12Å
215H93.9Very high88.2Confident118 Ų11856.3 Ų56.355%0.54630%0.299SS..Hα-helixtrans-60.4-41.2175.5-179.6-89.9000111.7R211 Y212 L217 V218 S219R211-H215 WeakPolarHBondContact O-CB 3.4Å; R211-H215 PolarHBondContact O-N 3.25Å; Y212-H215 PolarHBondContact O-N 3.33Å; H215-L217 VanDerWaalsContact C-N 3.34Å; H215-L217 PolarHBondContact O-N 3.15Å; H215-V218 PolarHBondContact O-N 2.99Å; H215-S219 VanDerWaalsContact O-CB 3.3Å; H215-S219 WeakPolarHBondContact O-CB 3.42Å; H215-S219 PolarHBondContact O-N 2.94Å; H215-S219 PolarHBondContact O-OG 3.42Å
216L92.6Very high88.1Confident8 Ų856 Ų564%0.04230%0.298CS..Hα-helixtrans-60.6-42.4174.1-71.3179.2000112.1Y212 L213 Q214 V218 Q220 T223 L226Y212-L216 HydrophobicContact CD1-CD1 4.24Å; Y212-L216 HydrophobicContact CE1-CD1 3.6Å; Y212-L216 HydrophobicContact CE1-CG 4.36Å; Y212-L216 HydrophobicContact CE2-CD1 4.25Å; Y212-L216 HydrophobicContact CE2-CD2 4.32Å; Y212-L216 HydrophobicContact CE2-CG 4.22Å; Y212-L216 WeakPolarHBondContact O-CG 3.33Å; Y212-L216 PolarHBondContact O-N 2.88Å; L213-L216 HydrophobicContact CD2-CD1 4.46Å; L213-L216 PolarHBondContact O-N 2.67Å; Q214-L216 VanDerWaalsContact C-N 3.31Å; Q214-L216 PolarHBondContact O-N 3.48Å; L216-V218 VanDerWaalsContact C-N 3.29Å; L216-V218 PolarHBondContact O-N 3.27Å; L216-Q220 CarbonylContact O-C 3.45Å; L216-Q220 WeakPolarHBondContact O-CA 3.47Å; L216-Q220 WeakPolarHBondContact O-CB 3.26Å; L216-Q220 PolarHBondContact O-N 2.82Å; L216-T223 PolarHBondContact O-OG1 2.89Å; L216-L226 HydrophobicContact CD1-CD1 4.15Å; L216-L226 HydrophobicContact CD1-CD2 3.64Å
217L90.3Very high88.1Confident48 Ų4856 Ų5625%0.25130%0.298SS..Hα-helixtrans-62.2-35.6178.8-69.7169.8000112.9L94 F194 L213 Q214 H215L94-L217 HydrophobicContact CD1-CD1 3.5Å; L94-L217 VanDerWaalsContact CD1-CD1 3.5Å; F194-L217 HydrophobicContact CE2-CD1 4.03Å; F194-L217 HydrophobicContact CE2-CD2 3.91Å; F194-L217 HydrophobicContact CE2-CG 3.86Å; F194-L217 HydrophobicContact CZ-CD2 3.92Å; F194-L217 HydrophobicContact CZ-CG 4.09Å; L213-L217 WeakPolarHBondContact O-CG 3.4Å; L213-L217 PolarHBondContact O-N 3Å; L213-L217 VanDerWaalsContact O-N 3.07Å; Q214-L217 WeakPolarHBondContact O-CB 3.2Å; Q214-L217 PolarHBondContact O-N 2.99Å; Q214-L217 VanDerWaalsContact O-N 3.16Å; H215-L217 VanDerWaalsContact C-N 3.34Å; H215-L217 PolarHBondContact O-N 3.15Å
218V88.7Confident88.1Confident120 Ų12055.1 Ų55.173%0.72729%0.293SS*.Hα-helixtrans-79.8-47.6178.4176.60000111.6Q214 H215 L216Q214-V218 PolarHBondContact O-N 3.43Å; Q214-V218 VanDerWaalsContact O-N 3.12Å; H215-V218 PolarHBondContact O-N 2.99Å; L216-V218 VanDerWaalsContact C-N 3.29Å; L216-V218 PolarHBondContact O-N 3.27Å
219S85.3Confident88.1Confident57 Ų5754.6 Ų54.640%0.39929%0.289SS..Hα-helixtrans-78.6-23.9-173.860.10000113.8H215H215-S219 VanDerWaalsContact O-CB 3.3Å; H215-S219 WeakPolarHBondContact O-CB 3.42Å; H215-S219 PolarHBondContact O-N 2.94Å; H215-S219 PolarHBondContact O-OG 3.42Å
220Q78.6Confident88Confident102 Ų10255.2 Ų55.248%0.47729%0.292SS..SBendtrans-131.672.7179.7-60.4-179.828.700109.7L216 G222 T223L216-Q220 CarbonylContact O-C 3.45Å; L216-Q220 WeakPolarHBondContact O-CA 3.47Å; L216-Q220 WeakPolarHBondContact O-CB 3.26Å; L216-Q220 PolarHBondContact O-N 2.82Å; Q220-G222 PolarHBondContact O-N 3.28Å; Q220-G222 VanDerWaalsContact O-N 3.1Å; Q220-T223 WeakPolarHBondContact CB-OG1 3.36Å; Q220-T223 PolarHBondContact O-N 3.25Å; Q220-T223 PolarHBondContact O-OG1 3.46Å
221P63.8Low88Confident112 Ų11255.7 Ų55.773%0.72730%0.295SS*.THydrogen-bonded Turntrans-55.4119.9179.4-2232.2000110.1
222G61.1Low87.9Confident58 Ų5850.1 Ų50.160%0.59828%0.275SS*.THydrogen-bonded Turntrans78.237.2-17400000113.9Q220 K224Q220-G222 PolarHBondContact O-N 3.28Å; Q220-G222 VanDerWaalsContact O-N 3.1Å; G222-K224 VanDerWaalsContact C-N 3.28Å; G222-K224 VanDerWaalsContact O-CG 3.25Å; G222-K224 WeakPolarHBondContact O-CG 3.32Å; G222-K224 PolarHBondContact O-N 3.08Å
223T63.9Low87.7Confident24 Ų2454.6 Ų54.615%0.14730%0.296CS..  trans-43.792.8167.5-62.90000109.9F194 L216 Q220 L226F194-T223 HydrophobicContact CE1-CG2 4.45Å; L216-T223 PolarHBondContact O-OG1 2.89Å; Q220-T223 WeakPolarHBondContact CB-OG1 3.36Å; Q220-T223 PolarHBondContact O-N 3.25Å; Q220-T223 PolarHBondContact O-OG1 3.46Å; T223-L226 HydrophobicContact CG2-CB 3.66Å; T223-L226 HydrophobicContact CG2-CD2 4.27Å; T223-L226 HydrophobicContact CG2-CG 4.38Å
224K75.9Confident87.5Confident158 Ų15854.8 Ų54.869%0.68730%0.298SS*.  trans-108.2136.6178.1-77.3168.1-172.9-176.60105.8G222G222-K224 VanDerWaalsContact C-N 3.28Å; G222-K224 VanDerWaalsContact O-CG 3.25Å; G222-K224 WeakPolarHBondContact O-CG 3.32Å; G222-K224 PolarHBondContact O-N 3.08Å
225N89.8Confident87.4Confident64 Ų6451.9 Ų51.934%0.34229%0.288SS..SBendtrans73.830.6179-45.9-51.2000115.3S269 N271 V272 K275N225-S269 PolarHBondContact N-OG 2.71Å; N225-N271 PolarHBondContact N-ND2 2.69Å; N225-N271 PolarHBondContact N-OD1 2.82Å; N225-N271 VanDerWaalsContact N-OD1 3.07Å; N225-N271 PolarHBondContact OD1-ND2 3.09Å; N225-N271 VanDerWaalsContact OD1-ND2 3.09Å; N225-V272 HydrophobicContact CB-CG2 4.35Å; N225-K275 PolarHBondContact OD1-NZ 2.84Å
226L95.6Very high87.5Confident3 Ų347 Ų472%0.01627%0.266CS..  trans-75.2127.8170.8-176.573.4000109.9F194 L216 T223 V228 V268 S269 V272 M306F194-L226 HydrophobicContact CD1-CD2 3.88Å; F194-L226 HydrophobicContact CE1-CD2 3.52Å; L216-L226 HydrophobicContact CD1-CD1 4.15Å; L216-L226 HydrophobicContact CD1-CD2 3.64Å; T223-L226 HydrophobicContact CG2-CB 3.66Å; T223-L226 HydrophobicContact CG2-CD2 4.27Å; T223-L226 HydrophobicContact CG2-CG 4.38Å; L226-V228 HydrophobicContact CD1-CB 4.14Å; L226-V228 HydrophobicContact CD1-CG1 4.13Å; L226-V228 HydrophobicContact CD2-CG1 4.14Å; L226-V228 HydrophobicContact CG-CB 4.47Å; L226-V228 HydrophobicContact CG-CG1 4.1Å; L226-V268 CarbonylContact O-C 3.55Å; L226-V268 WeakPolarHBondContact O-CA 3.4Å; L226-S269 PolarHBondContact N-OG 2.76Å; L226-S269 PolarHBondContact O-N 3.26Å; L226-V272 WeakPolarHBondContact O-CG2 3.18Å; L226-M306 HydrophobicContact CD1-CE 4.01Å; L226-M306 HydrophobicContact CD1-SD 4.14Å
227W97.6Very high87.5Confident1 Ų146.7 Ų46.70%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-142.4111.5161.8175.822.6000107.1D259 T261 Y266 V267 V268 M294 A298 V303 P305 M306W227-D259 WeakPolarHBondContact CH2-O 3.45Å; W227-T261 HydrophobicContact CZ2-CG2 4.16Å; W227-T261 PolarHBondContact NE1-OG1 2.92Å; W227-Y266 AromaticContact CD1-CD2 3.96Å; W227-Y266 AromaticContact NE1-CD2 3.76Å; W227-Y266 AromaticContact NE1-CG 3.93Å; W227-V267 CarbonylContact C-O 3.55Å; W227-V267 WeakPolarHBondContact CA-O 3.29Å; W227-V268 HydrophobicContact CB-CG1 4.03Å; W227-V268 HydrophobicContact CG-CG1 3.91Å; W227-M294 HydrophobicContact CD2-CE 3.9Å; W227-M294 HydrophobicContact CE3-CE 4.45Å; W227-M294 HydrophobicContact CG-CE 4.22Å; W227-M294 HydrophobicContact CH2-CG 4.37Å; W227-M294 HydrophobicContact CZ2-CE 4.01Å; W227-M294 HydrophobicContact CZ2-CG 3.78Å; W227-A298 HydrophobicContact CE3-CB 3.64Å; W227-A298 HydrophobicContact CH2-CB 3.86Å; W227-A298 HydrophobicContact CZ3-CB 3.15Å; W227-V303 HydrophobicContact CB-CG1 4.06Å; W227-V303 HydrophobicContact CE3-CG1 4.16Å; W227-P305 HydrophobicContact CD2-CB 3.69Å; W227-P305 HydrophobicContact CE3-CB 3.57Å; W227-P305 HydrophobicContact CE3-CG 4.08Å; W227-P305 HydrophobicContact CG-CB 4.35Å; W227-P305 HydrophobicContact CH2-CB 3.93Å; W227-P305 HydrophobicContact CH2-CG 4.03Å; W227-P305 HydrophobicContact CZ2-CB 4.05Å; W227-P305 HydrophobicContact CZ3-CB 3.68Å; W227-P305 VanDerWaalsContact CZ3-CD 3.44Å; W227-P305 HydrophobicContact CZ3-CG 3.74Å; W227-P305 CarbonylContact O-C 3.03Å; W227-P305 WeakPolarHBondContact O-CA 3.15Å; W227-M306 WeakPolarHBondContact O-CB 3.3Å; W227-M306 PolarHBondContact O-N 3.04Å
228V97.3Very high87.7Confident1 Ų147 Ų471%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-133.3138.3-170630000111.6Y212 L226 Y266 V267 M306 H308Y212-V228 HydrophobicContact CE1-CG1 4.14Å; L226-V228 HydrophobicContact CD1-CB 4.14Å; L226-V228 HydrophobicContact CD1-CG1 4.13Å; L226-V228 HydrophobicContact CD2-CG1 4.14Å; L226-V228 HydrophobicContact CG-CB 4.47Å; L226-V228 HydrophobicContact CG-CG1 4.1Å; V228-Y266 WeakPolarHBondContact O-CA 3.27Å; V228-Y266 WeakPolarHBondContact O-CB 3.46Å; V228-V267 HydrophobicContact CG1-CB 3.91Å; V228-V267 PolarHBondContact N-O 3.01Å; V228-V267 PolarHBondContact O-N 3.18Å; V228-M306 WeakPolarHBondContact CA-O 3.42Å; V228-M306 HydrophobicContact CB-CB 4.41Å; V228-M306 HydrophobicContact CG2-CB 4.41Å; V228-H308 HydrophobicContact CG2-CB 3.57Å
229G97.3Very high87.9Confident0 Ų043.9 Ų43.90%024%0.244CC..EExtended strand (participates in β ladder)trans177.5-159.1178.900000112.1M306 Q307 H308G229-M306 PolarHBondContact N-O 2.72Å; G229-M306 VanDerWaalsContact N-O 3.09Å; G229-Q307 WeakPolarHBondContact O-CA 3.33Å; G229-H308 PolarHBondContact O-N 3.11Å
230H96.3Very high88.2Confident13 Ų1348.7 Ų48.76%0.0625%0.253CS..EExtended strand (participates in β ladder)trans-82.5116.2168.1-176.193.2000109.8H232 T261 A262 F311 N377H230-H232 AromaticContact CD2-NE2 3.99Å; H230-T261 CarbonylContact O-C 3.57Å; H230-T261 WeakPolarHBondContact O-CA 3.43Å; H230-A262 HydrophobicContact CB-CB 4.12Å; H230-A262 PolarHBondContact O-N 3.37Å; H230-F311 HydrophobicContact CB-CB 4.38Å; H230-N377 PolarHBondContact NE2-OD1 3.19Å
231V96.3Very high88.8Confident12 Ų1252.2 Ų52.27%0.07327%0.267CS..EExtended strand (participates in β ladder)trans-98.7120.6-169.6-176.80000112.2K233 D259 Y260 T261 P305 Q307V231-K233 HydrophobicContact CG1-CG 3.95Å; V231-D259 HydrophobicContact CG1-CB 4.35Å; V231-Y260 CarbonylContact C-O 3.55Å; V231-Y260 WeakPolarHBondContact CA-O 3.3Å; V231-T261 HydrophobicContact CG2-CG2 4.17Å; V231-P305 HydrophobicContact CG1-CB 4.2Å; V231-P305 HydrophobicContact CG1-CG 3.8Å; V231-P305 HydrophobicContact CG2-CB 3.86Å; V231-P305 HydrophobicContact CG2-CG 4.36Å; V231-Q307 HydrophobicContact CG2-CB 4.22Å
232H94.4Very high90.1Very high25 Ų2549.3 Ų49.312%0.11626%0.257CS..EExtended strand (participates in β ladder)trans-83.7112.6164.6-61.8-75.9000109.6H230 A235 Y260 A262 E314H230-H232 AromaticContact CD2-NE2 3.99Å; H232-A235 HydrophobicContact CB-CB 4.22Å; H232-Y260 HydrophobicContact CB-CD1 4.09Å; H232-Y260 HydrophobicContact CB-CD2 4.32Å; H232-Y260 HydrophobicContact CB-CE1 3.62Å; H232-Y260 HydrophobicContact CB-CE2 3.89Å; H232-Y260 HydrophobicContact CB-CG 4.41Å; H232-Y260 VanDerWaalsContact CB-CZ 3.49Å; H232-Y260 AromaticContact CD2-CD2 3.87Å; H232-Y260 AromaticContact CD2-CE2 3.27Å; H232-Y260 WeakPolarHBondContact CD2-CE2 3.45Å; H232-Y260 AromaticContact CD2-CZ 3.69Å; H232-Y260 AromaticContact CG-CE2 3.78Å; H232-Y260 AromaticContact CG-CZ 3.68Å; H232-Y260 PolarHBondContact N-O 2.97Å; H232-Y260 PolarHBondContact O-N 3.46Å; H232-A262 WeakPolarHBondContact NE2-CB 2.93Å; H232-E314 IonicContact CE1-OE1 3.28Å; H232-E314 PolarHBondContact CE1-OE1 2.96Å; H232-E314 VanDerWaalsContact CE1-OE1 3.28Å; H232-E314 IonicContact CE1-OE2 3.41Å; H232-E314 PolarHBondContact CE1-OE2 3.15Å; H232-E314 IonicContact NE2-OE1 3.66Å; H232-E314 IonicContact NE2-OE2 3.67Å
233K92.8Very high91.6Very high143 Ų14347.7 Ų47.762%0.62224%0.237SC*.  trans-92.5106.9-177.9-66.4-176.8-177.5178.60111.3V231 A235 D259V231-K233 HydrophobicContact CG1-CG 3.95Å; K233-A235 VanDerWaalsContact C-N 3.31Å; K233-A235 PolarHBondContact O-N 2.71Å; K233-D259 VanDerWaalsContact CA-OD1 3.23Å; K233-D259 WeakPolarHBondContact CA-OD1 3.46Å
234G91.5Very high92.9Very high5 Ų552.9 Ų52.95%0.05226%0.257CS..SBendtrans51.548.5179.700000112.7S43 S256 Y257 D259S43-G234 PolarHBondContact OG-O 3.16Å; G234-S256 VanDerWaalsContact CA-OG 3.28Å; G234-S256 WeakPolarHBondContact CA-OG 3.17Å; G234-S256 PolarHBondContact O-OG 2.92Å; G234-Y257 WeakPolarHBondContact CA-O 3.07Å; G234-D259 PolarHBondContact N-OD1 2.86Å
235A93.3Very high93.8Very high18 Ų1849.4 Ų49.415%0.14924%0.24CC..PPolyproline II helixtrans-65.5140.417700000110.2H232 K233 Y257 Y260H232-A235 HydrophobicContact CB-CB 4.22Å; K233-A235 VanDerWaalsContact C-N 3.31Å; K233-A235 PolarHBondContact O-N 2.71Å; A235-Y257 WeakPolarHBondContact O-CD2 2.98Å; A235-Y257 PolarHBondContact O-N 3.32Å; A235-Y260 HydrophobicContact CB-CE1 4.06Å
236P94.2Very high94Very high14 Ų1448.7 Ų48.79%0.09123%0.234CC..PPolyproline II helixtrans-72.3147.7175.126.6-30.8000111.7S39 V238S39-P236 WeakPolarHBondContact OG-CB 3.37Å; P236-V238 PolarHBondContact O-N 3.29Å
237P94.4Very high94Very high3 Ų348.6 Ų48.62%0.01923%0.234CC..PPolyproline II helixtrans-60.6134.1165.4-19.831.1000111.5R239 V247 Y252 W254 P255 Y257P237-R239 PolarHBondContact O-N 3.46Å; P237-V247 HydrophobicContact CB-CB 4.38Å; P237-Y252 HydrophobicContact CB-CD1 4.47Å; P237-Y252 HydrophobicContact CG-CD1 3.53Å; P237-Y252 HydrophobicContact CG-CE1 3.82Å; P237-W254 WeakPolarHBondContact CG-O 3.25Å; P237-P255 WeakPolarHBondContact CD-O 3.43Å; P237-Y257 WeakPolarHBondContact CA-OH 3.48Å; P237-Y257 HydrophobicContact CB-CE1 3.99Å; P237-Y257 HydrophobicContact CB-CE2 4.11Å; P237-Y257 VanDerWaalsContact CB-OH 3.3Å; P237-Y257 WeakPolarHBondContact CB-OH 3.27Å; P237-Y257 HydrophobicContact CG-CD1 4.11Å; P237-Y257 HydrophobicContact CG-CE1 3.59Å; P237-Y257 HydrophobicContact CG-CE2 4.15Å
238V93.8Very high93.7Very high54 Ų5450.5 Ų50.533%0.32725%0.246SC..BIsolated β-bridgetrans-74.2118.2175.2-178.70000109.1P236 W240 F246 V247P236-V238 PolarHBondContact O-N 3.29Å; V238-W240 HydrophobicContact CG1-CB 4.37Å; V238-F246 CarbonylContact O-C 3.44Å; V238-F246 WeakPolarHBondContact O-CA 3.25Å; V238-V247 PolarHBondContact O-N 3.2Å
239R92.4Very high93.4Very high54 Ų5456.7 Ų56.720%0.20427%0.27CS..  trans-96.9-5.1-177.8-56-53.7-173.3176.42.9114.3P237 F246 V247 P248 Y249 Y252 W254P237-R239 PolarHBondContact O-N 3.46Å; R239-F246 WeakPolarHBondContact O-CD2 3.35Å; R239-F246 VanDerWaalsContact O-CE2 3.24Å; R239-F246 WeakPolarHBondContact O-CE2 3.46Å; R239-V247 VanDerWaalsContact CD-O 3.31Å; R239-V247 WeakPolarHBondContact CD-O 3.35Å; R239-V247 PolarHBondContact NH1-O 3.08Å; R239-P248 VanDerWaalsContact NH1-C 3.34Å; R239-P248 PolarHBondContact NH1-O 2.64Å; R239-Y249 HydrophobicContact CG-CE2 4.29Å; R239-Y252 VanDerWaalsContact CZ-O 3.22Å; R239-Y252 PolarHBondContact NH1-O 3.29Å; R239-Y252 PolarHBondContact NH2-O 3.15Å; R239-W254 PolarHBondContact NH2-O 2.94Å
240W91.5Very high93.1Very high159 Ų15964.6 Ų64.660%0.60231%0.313SS*.  trans-78.9120.1177.517766.5000111.3V238 G242 S243 F246V238-W240 HydrophobicContact CG1-CB 4.37Å; W240-G242 VanDerWaalsContact C-N 3.26Å; W240-G242 VanDerWaalsContact CE3-C 3.48Å; W240-G242 WeakPolarHBondContact CH2-O 3.35Å; W240-G242 VanDerWaalsContact CZ2-CA 3.5Å; W240-G242 WeakPolarHBondContact CZ3-O 3.34Å; W240-G242 PolarHBondContact O-N 2.98Å; W240-S243 WeakPolarHBondContact O-CB 3.47Å; W240-S243 PolarHBondContact O-N 3.36Å; W240-S243 VanDerWaalsContact O-N 3.11Å; W240-F246 WeakPolarHBondContact O-CB 3.43Å
241K91.6Very high92.7Very high176 Ų17667.4 Ų67.477%0.76533%0.328SS*.THydrogen-bonded Turntrans-64-22.7-174.2-71-177.1178.4-179.90114.9S243 F246K241-S243 VanDerWaalsContact C-N 3.26Å; K241-S243 PolarHBondContact O-N 3.19Å; K241-F246 HydrophobicContact CG-CD2 4.18Å; K241-F246 HydrophobicContact CG-CE1 4.17Å; K241-F246 HydrophobicContact CG-CE2 3.78Å; K241-F246 HydrophobicContact CG-CZ 3.78Å
242G91.8Very high92.4Very high50 Ų5067 Ų6752%0.51533%0.325SS..THydrogen-bonded Turntrans-79.5-7.7177.100000113.8W240W240-G242 VanDerWaalsContact C-N 3.26Å; W240-G242 VanDerWaalsContact CE3-C 3.48Å; W240-G242 WeakPolarHBondContact CH2-O 3.35Å; W240-G242 VanDerWaalsContact CZ2-CA 3.5Å; W240-G242 WeakPolarHBondContact CZ3-O 3.34Å; W240-G242 PolarHBondContact O-N 2.98Å
243S92.2Very high92.1Very high25 Ų2569 Ų6918%0.17534%0.34CS..SBendtrans-79.5137.9178.6-173.80000110.5W240 K241 Y245 F246W240-S243 WeakPolarHBondContact O-CB 3.47Å; W240-S243 PolarHBondContact O-N 3.36Å; W240-S243 VanDerWaalsContact O-N 3.11Å; K241-S243 VanDerWaalsContact C-N 3.26Å; K241-S243 PolarHBondContact O-N 3.19Å; S243-Y245 PolarHBondContact O-N 3.11Å; S243-Y245 VanDerWaalsContact O-N 3.13Å; S243-Y245 PolarHBondContact OG-N 3.39Å; S243-F246 VanDerWaalsContact O-CB 3.27Å; S243-F246 WeakPolarHBondContact O-CB 3.31Å; S243-F246 PolarHBondContact O-N 3.36Å
244K92.1Very high92Very high132 Ų13265.4 Ų65.457%0.57432%0.323SS*.THydrogen-bonded Turntrans-58.2-22.8165.573.3-179.8-170.8174.50112.7F171F171-K244 WeakPolarHBondContact CE1-O 3.19Å
245Y94.1Very high92Very high86 Ų8667.1 Ų67.134%0.33733%0.333SS..THydrogen-bonded Turntrans-98.611178-57.7-69.6000113.4F171 S243 V247F171-Y245 HydrophobicContact CE2-CD1 4.43Å; F171-Y245 HydrophobicContact CE2-CE1 4.07Å; F171-Y245 AromaticContact CZ-CD1 3.71Å; F171-Y245 HydrophobicContact CZ-CD1 3.71Å; F171-Y245 AromaticContact CZ-CE1 3.8Å; F171-Y245 HydrophobicContact CZ-CE1 3.8Å; S243-Y245 PolarHBondContact O-N 3.11Å; S243-Y245 VanDerWaalsContact O-N 3.13Å; S243-Y245 PolarHBondContact OG-N 3.39Å; Y245-V247 PolarHBondContact O-N 3.45Å
246F94.6Very high92Very high49 Ų4966.2 Ų66.222%0.21533%0.326CS..BIsolated β-bridgetrans-50.6136.3175.8170.8-116.7000110.1V238 R239 W240 K241 S243 P248 Y288V238-F246 CarbonylContact O-C 3.44Å; V238-F246 WeakPolarHBondContact O-CA 3.25Å; R239-F246 WeakPolarHBondContact O-CD2 3.35Å; R239-F246 VanDerWaalsContact O-CE2 3.24Å; R239-F246 WeakPolarHBondContact O-CE2 3.46Å; W240-F246 WeakPolarHBondContact O-CB 3.43Å; K241-F246 HydrophobicContact CG-CD2 4.18Å; K241-F246 HydrophobicContact CG-CE1 4.17Å; K241-F246 HydrophobicContact CG-CE2 3.78Å; K241-F246 HydrophobicContact CG-CZ 3.78Å; S243-F246 VanDerWaalsContact O-CB 3.27Å; S243-F246 WeakPolarHBondContact O-CB 3.31Å; S243-F246 PolarHBondContact O-N 3.36Å; F246-P248 HydrophobicContact CE1-CB 4.06Å; F246-P248 HydrophobicContact CE1-CG 4.29Å; F246-P248 HydrophobicContact CZ-CB 3.81Å; F246-Y288 PolarHBondContact O-OH 2.77Å
247V94.1Very high92Very high0 Ų065.9 Ų65.90%032%0.323CS..  trans-134.1120.1171.1175.90000109.2P237 V238 R239 Y245 L251 Y257 L287 Y288 I289P237-V247 HydrophobicContact CB-CB 4.38Å; V238-V247 PolarHBondContact O-N 3.2Å; R239-V247 VanDerWaalsContact CD-O 3.31Å; R239-V247 WeakPolarHBondContact CD-O 3.35Å; R239-V247 PolarHBondContact NH1-O 3.08Å; Y245-V247 PolarHBondContact O-N 3.45Å; V247-L251 HydrophobicContact CG1-CB 4.45Å; V247-L251 HydrophobicContact CG1-CD2 4.32Å; V247-L251 HydrophobicContact CG1-CG 4.48Å; V247-Y257 WeakPolarHBondContact CG2-OH 3.31Å; V247-L287 HydrophobicContact CG1-CD1 3.98Å; V247-L287 HydrophobicContact CG2-CD1 4.31Å; V247-Y288 HydrophobicContact CG2-CE2 4.36Å; V247-I289 HydrophobicContact CG2-CD1 3.51Å; V247-I289 HydrophobicContact CG2-CG1 4.35Å
248P92.8Very high92Very high42 Ų4265.9 Ų65.927%0.27332%0.323SS..  trans-71.9156.4179.528.3-32.1000112R239 F246 D250 L251 Y252R239-P248 VanDerWaalsContact NH1-C 3.34Å; R239-P248 PolarHBondContact NH1-O 2.64Å; F246-P248 HydrophobicContact CE1-CB 4.06Å; F246-P248 HydrophobicContact CE1-CG 4.29Å; F246-P248 HydrophobicContact CZ-CB 3.81Å; P248-D250 VanDerWaalsContact C-N 3.29Å; P248-D250 PolarHBondContact O-N 3.22Å; P248-L251 HydrophobicContact CG-CB 3.76Å; P248-L251 PolarHBondContact O-N 2.99Å; P248-Y252 PolarHBondContact O-N 2.81Å
249Y90.4Very high92.1Very high130 Ų13064.9 Ų64.951%0.5132%0.315SS..THydrogen-bonded Turntrans-62.2-35.6177.8-77.4-77000112.5R239 L251 Y252 P253R239-Y249 HydrophobicContact CG-CE2 4.29Å; Y249-L251 PolarHBondContact O-N 3.47Å; Y249-Y252 CarbonylContact O-C 3.48Å; Y249-Y252 PolarHBondContact O-N 3.4Å; Y249-P253 VanDerWaalsContact O-CA 3.28Å; Y249-P253 WeakPolarHBondContact O-CA 3.21Å; Y249-P253 VanDerWaalsContact O-CD 3.3Å; Y249-P253 WeakPolarHBondContact O-CD 3.43Å
250D89.8Confident92.3Very high166 Ų16663.5 Ų63.589%0.88831%0.311SS*.THydrogen-bonded Turntrans-64.5-29.5179-56.7-22.4000112.5P248P248-D250 VanDerWaalsContact C-N 3.29Å; P248-D250 PolarHBondContact O-N 3.22Å
251L88.6Confident92.6Very high72 Ų7256 Ų5638%0.37728%0.282SS..THydrogen-bonded Turntrans-83.4-39.4175.9-177.660000111.9V247 P248 Y249 L287 Y288V247-L251 HydrophobicContact CG1-CB 4.45Å; V247-L251 HydrophobicContact CG1-CD2 4.32Å; V247-L251 HydrophobicContact CG1-CG 4.48Å; P248-L251 HydrophobicContact CG-CB 3.76Å; P248-L251 PolarHBondContact O-N 2.99Å; Y249-L251 PolarHBondContact O-N 3.47Å; L251-L287 HydrophobicContact CD2-CD1 3.71Å; L251-L287 HydrophobicContact CG-CD1 3.88Å; L251-Y288 HydrophobicContact CD2-CD1 3.84Å; L251-Y288 HydrophobicContact CD2-CE1 3.28Å
252Y90.8Very high92.7Very high4 Ų447.7 Ų47.72%0.01625%0.246CC..  trans-145.497.1179.7-164.3-86.5000109.9F55 P237 R239 P248 Y249 W254 S256 Y257F55-Y252 HydrophobicContact CE1-CE2 4.21Å; F55-Y252 HydrophobicContact CE2-CD2 4.47Å; F55-Y252 AromaticContact CE2-CE2 3.86Å; F55-Y252 HydrophobicContact CE2-CE2 3.86Å; F55-Y252 HydrophobicContact CZ-CD2 4.36Å; F55-Y252 AromaticContact CZ-CE2 3.4Å; F55-Y252 HydrophobicContact CZ-CE2 3.4Å; F55-Y252 VanDerWaalsContact CZ-CE2 3.4Å; F55-Y252 AromaticContact CZ-CZ 3.8Å; P237-Y252 HydrophobicContact CB-CD1 4.47Å; P237-Y252 HydrophobicContact CG-CD1 3.53Å; P237-Y252 HydrophobicContact CG-CE1 3.82Å; R239-Y252 VanDerWaalsContact CZ-O 3.22Å; R239-Y252 PolarHBondContact NH1-O 3.29Å; R239-Y252 PolarHBondContact NH2-O 3.15Å; P248-Y252 PolarHBondContact O-N 2.81Å; Y249-Y252 CarbonylContact O-C 3.48Å; Y249-Y252 PolarHBondContact O-N 3.4Å; Y252-W254 HydrophobicContact CD1-CB 4.17Å; Y252-W254 WeakPolarHBondContact CD1-O 3.38Å; Y252-W254 HydrophobicContact CE1-CB 3.52Å; Y252-W254 WeakPolarHBondContact CE1-O 3.46Å; Y252-W254 HydrophobicContact CE2-CE3 4.48Å; Y252-S256 PolarHBondContact OH-O 3.39Å; Y252-Y257 HydrophobicContact CD1-CD1 4.08Å; Y252-Y257 AromaticContact CD1-CE1 3.74Å; Y252-Y257 HydrophobicContact CD1-CE1 3.74Å; Y252-Y257 HydrophobicContact CD2-CD1 4.3Å; Y252-Y257 HydrophobicContact CD2-CE1 4.03Å; Y252-Y257 AromaticContact CE1-CD1 3.59Å; Y252-Y257 HydrophobicContact CE1-CD1 3.59Å; Y252-Y257 AromaticContact CE1-CE1 3.76Å; Y252-Y257 HydrophobicContact CE1-CE1 3.76Å; Y252-Y257 AromaticContact CE2-CD1 3.86Å; Y252-Y257 HydrophobicContact CE2-CD1 3.86Å; Y252-Y257 HydrophobicContact CE2-CE1 4.06Å; Y252-Y257 HydrophobicContact CG-CD1 4.41Å; Y252-Y257 AromaticContact CG-CE1 3.88Å; Y252-Y257 HydrophobicContact CG-CE1 3.88Å; Y252-Y257 AromaticContact CZ-CD1 3.5Å; Y252-Y257 AromaticContact CZ-CE1 3.96Å
253P88.4Confident92.5Very high66 Ų6645.5 Ų45.543%0.42922%0.224SC..  trans-79.5-18.4-175.227.1-35.5000114Y249Y249-P253 VanDerWaalsContact O-CA 3.28Å; Y249-P253 WeakPolarHBondContact O-CA 3.21Å; Y249-P253 VanDerWaalsContact O-CD 3.3Å; Y249-P253 WeakPolarHBondContact O-CD 3.43Å
254W90.3Very high92.4Very high68 Ų6844.5 Ų44.526%0.25822%0.217SC..SBendtrans-72.1152.1-176.7-66.7-87000113.2Y46 F55 P237 R239 Y252 S256Y46-W254 AromaticContact CZ-CD1 3.63Å; F55-W254 HydrophobicContact CB-CE3 4.4Å; F55-W254 HydrophobicContact CB-CH2 3.15Å; F55-W254 HydrophobicContact CB-CZ2 3.67Å; F55-W254 HydrophobicContact CB-CZ3 3.5Å; F55-W254 VanDerWaalsContact CB-CZ3 3.5Å; F55-W254 AromaticContact CD1-CD2 3.41Å; F55-W254 HydrophobicContact CD1-CD2 3.41Å; F55-W254 VanDerWaalsContact CD1-CD2 3.41Å; F55-W254 AromaticContact CD1-CE2 3.48Å; F55-W254 VanDerWaalsContact CD1-CE2 3.48Å; F55-W254 AromaticContact CD1-CE3 3.23Å; F55-W254 HydrophobicContact CD1-CE3 3.23Å; F55-W254 HydrophobicContact CD1-CG 4.36Å; F55-W254 AromaticContact CD1-CH2 3.47Å; F55-W254 HydrophobicContact CD1-CH2 3.47Å; F55-W254 VanDerWaalsContact CD1-CH2 3.47Å; F55-W254 AromaticContact CD1-CZ2 3.53Å; F55-W254 HydrophobicContact CD1-CZ2 3.53Å; F55-W254 AromaticContact CD1-CZ3 3.23Å; F55-W254 HydrophobicContact CD1-CZ3 3.23Å; F55-W254 HydrophobicContact CD2-CE3 4.28Å; F55-W254 HydrophobicContact CD2-CH2 4.38Å; F55-W254 AromaticContact CD2-CZ3 3.82Å; F55-W254 HydrophobicContact CD2-CZ3 3.82Å; F55-W254 AromaticContact CE1-CD2 3.56Å; F55-W254 HydrophobicContact CE1-CD2 3.56Å; F55-W254 AromaticContact CE1-CE3 3.38Å; F55-W254 HydrophobicContact CE1-CE3 3.38Å; F55-W254 HydrophobicContact CE1-CG 4.16Å; F55-W254 HydrophobicContact CE1-CH2 4.44Å; F55-W254 AromaticContact CE1-CZ3 3.83Å; F55-W254 HydrophobicContact CE1-CZ3 3.83Å; F55-W254 HydrophobicContact CE2-CE3 4.41Å; F55-W254 HydrophobicContact CE2-CZ3 4.36Å; F55-W254 HydrophobicContact CG-CD2 4.29Å; F55-W254 AromaticContact CG-CE3 3.73Å; F55-W254 HydrophobicContact CG-CE3 3.73Å; F55-W254 AromaticContact CG-CH2 3.42Å; F55-W254 HydrophobicContact CG-CH2 3.42Å; F55-W254 VanDerWaalsContact CG-CH2 3.42Å; F55-W254 AromaticContact CG-CZ2 3.92Å; F55-W254 HydrophobicContact CG-CZ2 3.92Å; F55-W254 AromaticContact CG-CZ3 3.22Å; F55-W254 HydrophobicContact CG-CZ3 3.22Å; F55-W254 HydrophobicContact CZ-CE3 4.02Å; F55-W254 HydrophobicContact CZ-CZ3 4.39Å; P237-W254 WeakPolarHBondContact CG-O 3.25Å; R239-W254 PolarHBondContact NH2-O 2.94Å; Y252-W254 HydrophobicContact CD1-CB 4.17Å; Y252-W254 WeakPolarHBondContact CD1-O 3.38Å; Y252-W254 HydrophobicContact CE1-CB 3.52Å; Y252-W254 WeakPolarHBondContact CE1-O 3.46Å; Y252-W254 HydrophobicContact CE2-CE3 4.48Å; W254-S256 VanDerWaalsContact C-N 3.32Å
255P91Very high92.6Very high41 Ų4138.2 Ų38.227%0.26619%0.19SC..SBendtrans-81.8-8.5-178.333.8-37.6000113.8R42 S43 Y46 P237R42-P255 HydrophobicContact CB-CB 4.48Å; S43-P255 WeakPolarHBondContact CB-O 3.03Å; S43-P255 PolarHBondContact OG-O 3.08Å; Y46-P255 HydrophobicContact CD1-CG 4.13Å; Y46-P255 HydrophobicContact CD2-CG 3.36Å; Y46-P255 HydrophobicContact CE2-CG 4.11Å; Y46-P255 HydrophobicContact CG-CG 3.39Å; P237-P255 WeakPolarHBondContact CD-O 3.43Å
256S93.4Very high92.8Very high0 Ų034.1 Ų34.10%017%0.173CC..SBendtrans-143.5136.3-173.9-165.40000110.7S43 Y53 G234 Y252 W254S43-S256 WeakPolarHBondContact OG-CA 2.9Å; S43-S256 WeakPolarHBondContact OG-CB 2.81Å; S43-S256 PolarHBondContact OG-OG 3.17Å; Y53-S256 WeakPolarHBondContact CE1-O 3.27Å; G234-S256 VanDerWaalsContact CA-OG 3.28Å; G234-S256 WeakPolarHBondContact CA-OG 3.17Å; G234-S256 PolarHBondContact O-OG 2.92Å; Y252-S256 PolarHBondContact OH-O 3.39Å; W254-S256 VanDerWaalsContact C-N 3.32Å
257Y94.6Very high92.9Very high6 Ų631.8 Ų31.82%0.02416%0.163CC..PPolyproline II helixtrans-76.2157.9169.1-65.2-47.2000112.4Y53 G234 A235 P237 V247 Y252 Y260 L287 V292Y53-Y257 VanDerWaalsContact OH-C 3.29Å; Y53-Y257 PolarHBondContact OH-O 3.44Å; G234-Y257 WeakPolarHBondContact CA-O 3.07Å; A235-Y257 WeakPolarHBondContact O-CD2 2.98Å; A235-Y257 PolarHBondContact O-N 3.32Å; P237-Y257 WeakPolarHBondContact CA-OH 3.48Å; P237-Y257 HydrophobicContact CB-CE1 3.99Å; P237-Y257 HydrophobicContact CB-CE2 4.11Å; P237-Y257 VanDerWaalsContact CB-OH 3.3Å; P237-Y257 WeakPolarHBondContact CB-OH 3.27Å; P237-Y257 HydrophobicContact CG-CD1 4.11Å; P237-Y257 HydrophobicContact CG-CE1 3.59Å; P237-Y257 HydrophobicContact CG-CE2 4.15Å; V247-Y257 WeakPolarHBondContact CG2-OH 3.31Å; Y252-Y257 HydrophobicContact CD1-CD1 4.08Å; Y252-Y257 AromaticContact CD1-CE1 3.74Å; Y252-Y257 HydrophobicContact CD1-CE1 3.74Å; Y252-Y257 HydrophobicContact CD2-CD1 4.3Å; Y252-Y257 HydrophobicContact CD2-CE1 4.03Å; Y252-Y257 AromaticContact CE1-CD1 3.59Å; Y252-Y257 HydrophobicContact CE1-CD1 3.59Å; Y252-Y257 AromaticContact CE1-CE1 3.76Å; Y252-Y257 HydrophobicContact CE1-CE1 3.76Å; Y252-Y257 AromaticContact CE2-CD1 3.86Å; Y252-Y257 HydrophobicContact CE2-CD1 3.86Å; Y252-Y257 HydrophobicContact CE2-CE1 4.06Å; Y252-Y257 HydrophobicContact CG-CD1 4.41Å; Y252-Y257 AromaticContact CG-CE1 3.88Å; Y252-Y257 HydrophobicContact CG-CE1 3.88Å; Y252-Y257 AromaticContact CZ-CD1 3.5Å; Y252-Y257 AromaticContact CZ-CE1 3.96Å; Y257-Y260 HydrophobicContact CD2-CE1 4.19Å; Y257-L287 HydrophobicContact CE1-CD2 4.05Å; Y257-V292 HydrophobicContact CD1-CG1 3.41Å; Y257-V292 VanDerWaalsContact CD1-CG1 3.41Å; Y257-V292 HydrophobicContact CD2-CG1 4.09Å; Y257-V292 HydrophobicContact CD2-CG2 3.77Å; Y257-V292 HydrophobicContact CE1-CG1 3.77Å; Y257-V292 HydrophobicContact CE2-CG1 4.38Å; Y257-V292 HydrophobicContact CE2-CG2 3.9Å; Y257-V292 HydrophobicContact CG-CG1 3.58Å; Y257-V292 HydrophobicContact CG-CG2 4.11Å
258P94.1Very high93.1Very high3 Ų331.8 Ų31.82%0.01916%0.163CC..PPolyproline II helixtrans-57.1163160.6-18.831.8000110.5Y53 L56 Y260 M296 K299Y53-P258 HydrophobicContact CD1-CG 3.74Å; Y53-P258 HydrophobicContact CE1-CB 4.32Å; Y53-P258 HydrophobicContact CE1-CG 3.66Å; Y53-P258 VanDerWaalsContact CE1-N 3.33Å; Y53-P258 HydrophobicContact CG-CG 4.37Å; L56-P258 HydrophobicContact CD1-CG 4.3Å; P258-Y260 WeakPolarHBondContact O-CD1 3.48Å; P258-Y260 PolarHBondContact O-N 3.43Å; P258-M296 HydrophobicContact CG-CG 4.09Å; P258-K299 HydrophobicContact CB-CB 4.31Å
259D95.2Very high93.3Very high33 Ų3329.9 Ų29.918%0.17615%0.151CC..PPolyproline II helixtrans-64.1138.8173-67.9-20.4000111.1R47 W227 V231 K233 G234 G295 P305R47-D259 IonicContact CZ-OD1 3.1Å; R47-D259 IonicContact CZ-OD2 3.54Å; R47-D259 IonicContact NH1-OD1 2.58Å; R47-D259 PolarHBondContact NH1-OD1 3.26Å; R47-D259 IonicContact NH1-OD2 3.54Å; R47-D259 IonicContact NH2-OD1 3.01Å; R47-D259 PolarHBondContact NH2-OD1 3.49Å; R47-D259 IonicContact NH2-OD2 2.68Å; R47-D259 PolarHBondContact NH2-OD2 3.46Å; W227-D259 WeakPolarHBondContact CH2-O 3.45Å; V231-D259 HydrophobicContact CG1-CB 4.35Å; K233-D259 VanDerWaalsContact CA-OD1 3.23Å; K233-D259 WeakPolarHBondContact CA-OD1 3.46Å; G234-D259 PolarHBondContact N-OD1 2.86Å; D259-G295 WeakPolarHBondContact O-CA 3.35Å; D259-P305 HydrophobicContact CB-CG 3.48Å; D259-P305 VanDerWaalsContact CB-CG 3.48Å
260Y96.9Very high93.5Very high26 Ų2624.8 Ų24.810%0.10214%0.138CC..EExtended strand (participates in β ladder)trans-146.1159.9177.266.8-83.4000111.8V231 H232 A235 Y257 P258 D291 V292V231-Y260 CarbonylContact C-O 3.55Å; V231-Y260 WeakPolarHBondContact CA-O 3.3Å; H232-Y260 HydrophobicContact CB-CD1 4.09Å; H232-Y260 HydrophobicContact CB-CD2 4.32Å; H232-Y260 HydrophobicContact CB-CE1 3.62Å; H232-Y260 HydrophobicContact CB-CE2 3.89Å; H232-Y260 HydrophobicContact CB-CG 4.41Å; H232-Y260 VanDerWaalsContact CB-CZ 3.49Å; H232-Y260 AromaticContact CD2-CD2 3.87Å; H232-Y260 AromaticContact CD2-CE2 3.27Å; H232-Y260 WeakPolarHBondContact CD2-CE2 3.45Å; H232-Y260 AromaticContact CD2-CZ 3.69Å; H232-Y260 AromaticContact CG-CE2 3.78Å; H232-Y260 AromaticContact CG-CZ 3.68Å; H232-Y260 PolarHBondContact N-O 2.97Å; H232-Y260 PolarHBondContact O-N 3.46Å; A235-Y260 HydrophobicContact CB-CE1 4.06Å; Y257-Y260 HydrophobicContact CD2-CE1 4.19Å; P258-Y260 WeakPolarHBondContact O-CD1 3.48Å; P258-Y260 PolarHBondContact O-N 3.43Å; Y260-D291 WeakPolarHBondContact CB-O 3.42Å; Y260-D291 HydrophobicContact CD2-CB 3.66Å; Y260-D291 HydrophobicContact CE2-CB 4.09Å; Y260-V292 HydrophobicContact CD1-CG2 3.97Å; Y260-V292 HydrophobicContact CD2-CG2 4.32Å; Y260-V292 HydrophobicContact CE1-CG2 3.69Å; Y260-V292 HydrophobicContact CE2-CG2 4.06Å; Y260-V292 HydrophobicContact CG-CG2 4.28Å
261T97.1Very high93.8Very high0 Ų019.4 Ų19.40%011%0.109CC..EExtended strand (participates in β ladder)trans-90.6144172.149.30000111W227 H230 V231 Y266 D291 P305W227-T261 HydrophobicContact CZ2-CG2 4.16Å; W227-T261 PolarHBondContact NE1-OG1 2.92Å; H230-T261 CarbonylContact O-C 3.57Å; H230-T261 WeakPolarHBondContact O-CA 3.43Å; V231-T261 HydrophobicContact CG2-CG2 4.17Å; T261-Y266 WeakPolarHBondContact OG1-CB 3.32Å; T261-Y266 WeakPolarHBondContact OG1-CD1 3.49Å; T261-Y266 VanDerWaalsContact OG1-CG 3.29Å; T261-D291 WeakPolarHBondContact O-CB 3.32Å; T261-P305 HydrophobicContact CG2-CB 3.92Å
262A94Very high94.2Very high2 Ų216 Ų162%0.0179%0.091CC..EExtended strand (participates in β ladder)trans-55.5140173.400000112H230 H232 A264 G265H230-A262 HydrophobicContact CB-CB 4.12Å; H230-A262 PolarHBondContact O-N 3.37Å; H232-A262 WeakPolarHBondContact NE2-CB 2.93Å; A262-A264 HydrophobicContact CB-CB 4.49Å; A262-A264 PolarHBondContact O-N 3.31Å; A262-G265 PolarHBondContact O-N 3.49Å
263G88.3Confident94.5Very high4 Ų415.9 Ų15.94%0.0419%0.091CC..EExtended strand (participates in β ladder)trans-70-9.9-17900000115.5K100 G265 D291K100-G263 PolarHBondContact NZ-O 3.31Å; G263-G265 PolarHBondContact O-N 3.15Å; G263-D291 WeakPolarHBondContact CA-OD1 3.46Å; G263-D291 WeakPolarHBondContact CA-OD2 3.45Å; G263-D291 PolarHBondContact N-OD1 3.11Å; G263-D291 PolarHBondContact N-OD2 3.18Å
264A90.3Very high94.9Very high4 Ų414.1 Ų14.13%0.0338%0.082CC..EExtended strand (participates in β ladder)trans-51.4-38.9168.300000111.3I202 A262 H331I202-A264 HydrophobicContact CD1-CB 3.86Å; I202-A264 WeakPolarHBondContact CG1-O 3.44Å; A262-A264 HydrophobicContact CB-CB 4.49Å; A262-A264 PolarHBondContact O-N 3.31Å; A264-H331 HydrophobicContact CB-CB 4.32Å
265G95.4Very high95.1Very high0 Ų014 Ų140%08%0.083CC..EExtended strand (participates in β ladder)trans164.3148.9168.900000113.2T197 A262 G263 F311T197-G265 WeakPolarHBondContact O-CA 3.4Å; A262-G265 PolarHBondContact O-N 3.49Å; G263-G265 PolarHBondContact O-N 3.15Å; G265-F311 WeakPolarHBondContact O-CD1 3.47Å
266Y98.1Very high95.4Very high0 Ų012 Ų120%07%0.07CC..EExtended strand (participates in β ladder)trans-154.8161.2177.360.8-101.4000110.4L178 F182 M196 T197 W227 V228 T261 V268 M294L178-Y266 VanDerWaalsContact CD1-OH 3.26Å; L178-Y266 WeakPolarHBondContact CD1-OH 3.21Å; F182-Y266 HydrophobicContact CZ-CE2 4.35Å; M196-Y266 WeakPolarHBondContact CA-O 3.37Å; M196-Y266 WeakPolarHBondContact CG-O 3.33Å; T197-Y266 HydrophobicContact CG2-CD1 3.56Å; T197-Y266 HydrophobicContact CG2-CD2 4.01Å; T197-Y266 HydrophobicContact CG2-CE1 3.14Å; T197-Y266 HydrophobicContact CG2-CE2 3.61Å; T197-Y266 HydrophobicContact CG2-CG 3.99Å; T197-Y266 PolarHBondContact N-O 3.14Å; T197-Y266 PolarHBondContact O-N 2.95Å; W227-Y266 AromaticContact CD1-CD2 3.96Å; W227-Y266 AromaticContact NE1-CD2 3.76Å; W227-Y266 AromaticContact NE1-CG 3.93Å; V228-Y266 WeakPolarHBondContact O-CA 3.27Å; V228-Y266 WeakPolarHBondContact O-CB 3.46Å; T261-Y266 WeakPolarHBondContact OG1-CB 3.32Å; T261-Y266 WeakPolarHBondContact OG1-CD1 3.49Å; T261-Y266 VanDerWaalsContact OG1-CG 3.29Å; Y266-V268 HydrophobicContact CD2-CG1 3.98Å; Y266-V268 HydrophobicContact CE2-CG1 4.03Å; Y266-M294 HydrophobicContact CE2-CE 4.26Å
267V98.4Very high95.5Very high0 Ų013.5 Ų13.50%08%0.076CC..EExtended strand (participates in β ladder)trans-118.4139.8176.1-175.90000109.8F194 L195 M196 L209 L213 W227 V228 F311F194-V267 HydrophobicContact CB-CG1 3.88Å; F194-V267 HydrophobicContact CD1-CG1 4.13Å; F194-V267 HydrophobicContact CG-CG1 4.27Å; L195-V267 CarbonylContact O-C 3.56Å; L195-V267 WeakPolarHBondContact O-CA 3.27Å; M196-V267 HydrophobicContact CB-CG2 4.1Å; M196-V267 HydrophobicContact CG-CG2 4.17Å; M196-V267 HydrophobicContact SD-CG2 4.23Å; L209-V267 HydrophobicContact CD1-CG2 3.95Å; L213-V267 HydrophobicContact CD2-CG1 3.94Å; W227-V267 CarbonylContact C-O 3.55Å; W227-V267 WeakPolarHBondContact CA-O 3.29Å; V228-V267 HydrophobicContact CG1-CB 3.91Å; V228-V267 PolarHBondContact N-O 3.01Å; V228-V267 PolarHBondContact O-N 3.18Å; V267-F311 HydrophobicContact CG2-CE1 4.22Å; V267-F311 HydrophobicContact CG2-CZ 3.86Å
268V98.2Very high95.6Very high0 Ų017 Ų170%09%0.093CC..EExtended strand (participates in β ladder)trans-125.6152.3170.4-60.70000110.8F182 F194 L195 L226 W227 Y266 V272 A273 M294F182-V268 HydrophobicContact CE1-CG2 4.17Å; F194-V268 CarbonylContact C-O 3.56Å; F194-V268 VanDerWaalsContact CA-O 3.3Å; F194-V268 WeakPolarHBondContact CA-O 3.39Å; L195-V268 HydrophobicContact CB-CG2 3.85Å; L195-V268 HydrophobicContact CD2-CG2 4.01Å; L195-V268 HydrophobicContact CG-CG2 4.46Å; L195-V268 PolarHBondContact N-O 3.21Å; L195-V268 PolarHBondContact O-N 3.48Å; L226-V268 CarbonylContact O-C 3.55Å; L226-V268 WeakPolarHBondContact O-CA 3.4Å; W227-V268 HydrophobicContact CB-CG1 4.03Å; W227-V268 HydrophobicContact CG-CG1 3.91Å; Y266-V268 HydrophobicContact CD2-CG1 3.98Å; Y266-V268 HydrophobicContact CE2-CG1 4.03Å; V268-V272 HydrophobicContact CB-CB 3.98Å; V268-V272 HydrophobicContact CB-CG1 3.79Å; V268-V272 HydrophobicContact CG1-CG1 3.83Å; V268-A273 HydrophobicContact CG2-CB 4.08Å; V268-M294 HydrophobicContact CG1-CE 4Å
269S96.9Very high95.5Very high3 Ų316.8 Ų16.82%0.0219%0.092CC..EExtended strand (participates in β ladder)trans-71.9154.1167.554.20000110.8N225 L226 N271 V272 A273N225-S269 PolarHBondContact N-OG 2.71Å; L226-S269 PolarHBondContact N-OG 2.76Å; L226-S269 PolarHBondContact O-N 3.26Å; S269-N271 WeakPolarHBondContact CB-OD1 3.3Å; S269-N271 PolarHBondContact O-N 3.33Å; S269-N271 VanDerWaalsContact O-N 3.14Å; S269-N271 PolarHBondContact OG-OD1 3.35Å; S269-V272 WeakPolarHBondContact O-CA 3.35Å; S269-V272 WeakPolarHBondContact O-CB 3.12Å; S269-V272 PolarHBondContact O-N 2.82Å; S269-V272 WeakPolarHBondContact OG-CG2 3.38Å; S269-A273 PolarHBondContact O-N 2.94Å
270G94.8Very high95.4Very high22 Ų2216.2 Ų16.223%0.2279%0.089CC..Hα-helixtrans-54.2-36.5-17900000113.6R193 V272 A273 A274R193-G270 PolarHBondContact O-N 2.77Å; G270-V272 VanDerWaalsContact C-N 3.33Å; G270-V272 PolarHBondContact O-N 3.39Å; G270-A273 WeakPolarHBondContact O-CB 3.37Å; G270-A273 PolarHBondContact O-N 2.99Å; G270-A274 PolarHBondContact O-N 3.47Å; G270-A274 VanDerWaalsContact O-N 3.08Å
271N94.8Very high95.1Very high54 Ų5419.1 Ų19.129%0.28911%0.106SC..Hα-helixtrans-67.6-30.317683.6-70.8000113.3N225 S269 K275N225-N271 PolarHBondContact N-ND2 2.69Å; N225-N271 PolarHBondContact N-OD1 2.82Å; N225-N271 VanDerWaalsContact N-OD1 3.07Å; N225-N271 PolarHBondContact OD1-ND2 3.09Å; N225-N271 VanDerWaalsContact OD1-ND2 3.09Å; S269-N271 WeakPolarHBondContact CB-OD1 3.3Å; S269-N271 PolarHBondContact O-N 3.33Å; S269-N271 VanDerWaalsContact O-N 3.14Å; S269-N271 PolarHBondContact OG-OD1 3.35Å; N271-K275 WeakPolarHBondContact O-CG 3.49Å; N271-K275 PolarHBondContact O-N 2.9Å; N271-K275 VanDerWaalsContact O-N 3.16Å
272V97.1Very high94.6Very high0 Ų021.4 Ų21.40%012%0.12CC..Hα-helixtrans-72.6-42.5172.5171.30000109.7N225 L226 V268 S269 G270 A274 K275 I276 V303N225-V272 HydrophobicContact CB-CG2 4.35Å; L226-V272 WeakPolarHBondContact O-CG2 3.18Å; V268-V272 HydrophobicContact CB-CB 3.98Å; V268-V272 HydrophobicContact CB-CG1 3.79Å; V268-V272 HydrophobicContact CG1-CG1 3.83Å; S269-V272 WeakPolarHBondContact O-CA 3.35Å; S269-V272 WeakPolarHBondContact O-CB 3.12Å; S269-V272 PolarHBondContact O-N 2.82Å; S269-V272 WeakPolarHBondContact OG-CG2 3.38Å; G270-V272 VanDerWaalsContact C-N 3.33Å; G270-V272 PolarHBondContact O-N 3.39Å; V272-A274 VanDerWaalsContact C-N 3.26Å; V272-A274 PolarHBondContact O-N 2.86Å; V272-K275 WeakPolarHBondContact O-CB 3.5Å; V272-K275 PolarHBondContact O-N 2.82Å; V272-I276 HydrophobicContact CG1-CG1 3.94Å; V272-I276 VanDerWaalsContact O-CG1 3.28Å; V272-I276 WeakPolarHBondContact O-CG1 3.4Å; V272-I276 PolarHBondContact O-N 2.79Å; V272-V303 HydrophobicContact CG1-CG1 4.01Å; V272-V303 HydrophobicContact CG2-CG1 4.02Å; V272-V303 HydrophobicContact CG2-CG2 4.33Å
273A97.3Very high94.2Very high1 Ų121.6 Ų21.61%0.00812%0.121CC..Hα-helixtrans-53.8-45.1175.800000111.8F182 L195 V268 S269 G270 I276 Y277F182-A273 HydrophobicContact CD1-CB 3.88Å; F182-A273 WeakPolarHBondContact CD1-O 3.27Å; F182-A273 HydrophobicContact CE1-CB 4Å; L195-A273 HydrophobicContact CB-CB 4.39Å; L195-A273 HydrophobicContact CD1-CB 4.07Å; V268-A273 HydrophobicContact CG2-CB 4.08Å; S269-A273 PolarHBondContact O-N 2.94Å; G270-A273 WeakPolarHBondContact O-CB 3.37Å; G270-A273 PolarHBondContact O-N 2.99Å; A273-I276 PolarHBondContact O-N 3.2Å; A273-Y277 PolarHBondContact O-N 3.41Å
274A96.3Very high93.3Very high29 Ų2924.7 Ų24.724%0.2414%0.136CC..Hα-helixtrans-62-47173.900000112.8Y186 G270 V272 I276 Y277 H278Y186-A274 HydrophobicContact CD2-CB 4.1Å; Y186-A274 HydrophobicContact CE2-CB 4.4Å; G270-A274 PolarHBondContact O-N 3.47Å; G270-A274 VanDerWaalsContact O-N 3.08Å; V272-A274 VanDerWaalsContact C-N 3.26Å; V272-A274 PolarHBondContact O-N 2.86Å; A274-I276 VanDerWaalsContact C-N 3.33Å; A274-I276 PolarHBondContact O-N 3.36Å; A274-Y277 PolarHBondContact O-N 3.49Å; A274-H278 PolarHBondContact O-CD2 3.28Å; A274-H278 PolarHBondContact O-N 3.48Å
275K96Very high92.5Very high65 Ų6526.7 Ų26.728%0.28315%0.15SC..Hα-helixtrans-56.7-45.7176.6-79.3178.3170.2-168.70112.3N225 N271 V272 H278 A279 M301 V303N225-K275 PolarHBondContact OD1-NZ 2.84Å; N271-K275 WeakPolarHBondContact O-CG 3.49Å; N271-K275 PolarHBondContact O-N 2.9Å; N271-K275 VanDerWaalsContact O-N 3.16Å; V272-K275 WeakPolarHBondContact O-CB 3.5Å; V272-K275 PolarHBondContact O-N 2.82Å; K275-H278 PolarHBondContact O-N 2.91Å; K275-A279 PolarHBondContact O-N 3.03Å; K275-M301 HydrophobicContact CB-CB 4.07Å; K275-M301 HydrophobicContact CB-CG 4.1Å; K275-M301 HydrophobicContact CD-CB 4.45Å; K275-M301 WeakPolarHBondContact O-CG 3.28Å; K275-V303 HydrophobicContact CD-CG2 3.87Å
276I96.8Very high91.8Very high0 Ų030 Ų300%017%0.173CC..Hα-helixtrans-64-44.2179.5-63.4-61.1000110.6F182 V272 A273 A274 H278 A279 T280 M294 C297 A298F182-I276 HydrophobicContact CD1-CB 4.13Å; F182-I276 HydrophobicContact CD1-CG2 4.11Å; F182-I276 HydrophobicContact CD2-CG2 3.75Å; F182-I276 HydrophobicContact CE1-CB 4.09Å; F182-I276 HydrophobicContact CE1-CG1 4.47Å; F182-I276 HydrophobicContact CE1-CG2 4.09Å; F182-I276 HydrophobicContact CE2-CG2 3.73Å; F182-I276 HydrophobicContact CG-CB 4.41Å; F182-I276 HydrophobicContact CG-CG2 3.96Å; F182-I276 HydrophobicContact CZ-CB 4.33Å; F182-I276 HydrophobicContact CZ-CG2 3.9Å; V272-I276 HydrophobicContact CG1-CG1 3.94Å; V272-I276 VanDerWaalsContact O-CG1 3.28Å; V272-I276 WeakPolarHBondContact O-CG1 3.4Å; V272-I276 PolarHBondContact O-N 2.79Å; A273-I276 PolarHBondContact O-N 3.2Å; A274-I276 VanDerWaalsContact C-N 3.33Å; A274-I276 PolarHBondContact O-N 3.36Å; I276-H278 VanDerWaalsContact C-N 3.33Å; I276-H278 PolarHBondContact O-N 2.69Å; I276-A279 VanDerWaalsContact O-CB 3.31Å; I276-A279 WeakPolarHBondContact O-CB 3.1Å; I276-A279 PolarHBondContact O-N 2.92Å; I276-A279 VanDerWaalsContact O-N 3.08Å; I276-T280 WeakPolarHBondContact O-CG2 3.15Å; I276-T280 PolarHBondContact O-N 3.47Å; I276-M294 HydrophobicContact CB-SD 4.26Å; I276-M294 HydrophobicContact CD1-CE 3.67Å; I276-M294 HydrophobicContact CD1-SD 3.68Å; I276-M294 HydrophobicContact CG1-CE 3.65Å; I276-M294 HydrophobicContact CG1-SD 3.72Å; I276-M294 HydrophobicContact CG2-SD 3.57Å; I276-M294 VanDerWaalsContact CG2-SD 3.57Å; I276-C297 HydrophobicContact CD1-CB 3.89Å; I276-C297 HydrophobicContact CG2-CB 4.09Å; I276-A298 HydrophobicContact CD1-CB 3.85Å
277Y96Very high91.5Very high31 Ų3130.2 Ų30.212%0.12217%0.174CC..Hα-helixtrans-56.4-49.1174.4178.9-122.7000111.2H183 Y186 A273 A274 A279 T280 L281H183-Y277 HydrophobicContact CB-CD2 3.94Å; H183-Y277 HydrophobicContact CB-CE2 3.58Å; H183-Y277 AromaticContact CD2-CE2 3.73Å; H183-Y277 AromaticContact CD2-CZ 3.5Å; H183-Y277 PolarHBondContact CD2-OH 3.12Å; H183-Y277 VanDerWaalsContact CD2-OH 3.22Å; Y186-Y277 AromaticContact CD1-CD1 3.77Å; Y186-Y277 HydrophobicContact CD1-CD1 3.77Å; Y186-Y277 AromaticContact CD1-CE1 3.7Å; Y186-Y277 HydrophobicContact CD1-CE1 3.7Å; Y186-Y277 HydrophobicContact CD2-CD1 4.03Å; Y186-Y277 HydrophobicContact CE1-CD1 4.35Å; Y186-Y277 HydrophobicContact CE1-CE1 4.15Å; Y186-Y277 AromaticContact CG-CD1 3.59Å; Y186-Y277 HydrophobicContact CG-CD1 3.59Å; Y186-Y277 HydrophobicContact CG-CE1 4.03Å; Y186-Y277 HydrophobicContact CG-CG 4.49Å; A273-Y277 PolarHBondContact O-N 3.41Å; A274-Y277 PolarHBondContact O-N 3.49Å; Y277-A279 VanDerWaalsContact C-N 3.27Å; Y277-A279 PolarHBondContact O-N 3.34Å; Y277-T280 WeakPolarHBondContact O-CB 2.95Å; Y277-T280 PolarHBondContact O-N 3.09Å; Y277-T280 VanDerWaalsContact O-N 3.08Å; Y277-T280 PolarHBondContact O-OG1 3.14Å; Y277-L281 HydrophobicContact CE1-CD1 3.98Å; Y277-L281 HydrophobicContact CE2-CD2 4.22Å; Y277-L281 HydrophobicContact CE2-CG 4.42Å; Y277-L281 PolarHBondContact O-N 3.34Å
278H94.9Very high91.1Very high79 Ų7932.1 Ų32.137%0.36618%0.182SC..Hα-helixtrans-58-38.1175-69.4-58.5000112.9Y186 A274 K275 I276 T280 L281 V282 M301Y186-H278 AromaticContact CE2-NE2 3.74Å; A274-H278 PolarHBondContact O-CD2 3.28Å; A274-H278 PolarHBondContact O-N 3.48Å; K275-H278 PolarHBondContact O-N 2.91Å; I276-H278 VanDerWaalsContact C-N 3.33Å; I276-H278 PolarHBondContact O-N 2.69Å; H278-T280 VanDerWaalsContact C-N 3.27Å; H278-T280 PolarHBondContact O-N 2.84Å; H278-L281 WeakPolarHBondContact O-CB 3.2Å; H278-L281 PolarHBondContact O-N 2.94Å; H278-L281 VanDerWaalsContact O-N 3.11Å; H278-V282 PolarHBondContact O-N 2.75Å; H278-M301 HydrophobicContact CB-CE 4.38Å
279A93.9Very high91Very high0 Ų032.7 Ų32.70%019%0.185CC..Hα-helixtrans-60.6-40.1176.900000111.5K275 I276 Y277 L281 V282 L283 C297 M301K275-A279 PolarHBondContact O-N 3.03Å; I276-A279 VanDerWaalsContact O-CB 3.31Å; I276-A279 WeakPolarHBondContact O-CB 3.1Å; I276-A279 PolarHBondContact O-N 2.92Å; I276-A279 VanDerWaalsContact O-N 3.08Å; Y277-A279 VanDerWaalsContact C-N 3.27Å; Y277-A279 PolarHBondContact O-N 3.34Å; A279-L281 PolarHBondContact O-N 2.72Å; A279-V282 PolarHBondContact O-N 2.75Å; A279-L283 HydrophobicContact CB-CD1 4.48Å; A279-L283 VanDerWaalsContact O-CB 3.3Å; A279-L283 WeakPolarHBondContact O-CB 3.38Å; A279-L283 WeakPolarHBondContact O-CG 3.42Å; A279-L283 PolarHBondContact O-N 3.14Å; A279-C297 HydrophobicContact CB-CB 3.65Å; A279-M301 HydrophobicContact CB-CE 3.62Å; A279-M301 HydrophobicContact CB-CG 3.68Å; A279-M301 HydrophobicContact CB-SD 4.48Å
280T92.3Very high90.9Very high21 Ų2132.8 Ų32.813%0.12919%0.185CC..Hα-helixtrans-63.4-23.5178.476.60000113.1I179 I276 Y277 H278 F293I179-T280 HydrophobicContact CG1-CG2 4.1Å; I276-T280 WeakPolarHBondContact O-CG2 3.15Å; I276-T280 PolarHBondContact O-N 3.47Å; Y277-T280 WeakPolarHBondContact O-CB 2.95Å; Y277-T280 PolarHBondContact O-N 3.09Å; Y277-T280 VanDerWaalsContact O-N 3.08Å; Y277-T280 PolarHBondContact O-OG1 3.14Å; H278-T280 VanDerWaalsContact C-N 3.27Å; H278-T280 PolarHBondContact O-N 2.84Å; T280-F293 HydrophobicContact CG2-CE1 4.09Å; T280-F293 HydrophobicContact CG2-CZ 4.44Å
281L90.3Very high90.9Very high87 Ų8732.8 Ų32.846%0.45518%0.18SC..Hα-helixtrans-85-25.4178.7-59177.4000113.3Y277 H278 A279Y277-L281 HydrophobicContact CE1-CD1 3.98Å; Y277-L281 HydrophobicContact CE2-CD2 4.22Å; Y277-L281 HydrophobicContact CE2-CG 4.42Å; Y277-L281 PolarHBondContact O-N 3.34Å; H278-L281 WeakPolarHBondContact O-CB 3.2Å; H278-L281 PolarHBondContact O-N 2.94Å; H278-L281 VanDerWaalsContact O-N 3.11Å; A279-L281 PolarHBondContact O-N 2.72Å
282V87.1Confident91Very high48 Ų4830.2 Ų30.229%0.29117%0.166SC..Hα-helixtrans-108.1-14.1-173.6-56.40000113.7I58 H278 A279 M301I58-V282 HydrophobicContact CG2-CB 4.3Å; I58-V282 HydrophobicContact CG2-CG2 4.47Å; H278-V282 PolarHBondContact O-N 2.75Å; A279-V282 PolarHBondContact O-N 2.75Å; V282-M301 HydrophobicContact CG2-CE 4Å
283L84.5Confident90.9Very high6 Ų630.5 Ų30.53%0.03117%0.167CC..  trans-75.1132.1177.7-90.1172.8000111.6L56 A279 F293 C297 V300L56-L283 HydrophobicContact CD2-CD2 4.1Å; A279-L283 HydrophobicContact CB-CD1 4.48Å; A279-L283 VanDerWaalsContact O-CB 3.3Å; A279-L283 WeakPolarHBondContact O-CB 3.38Å; A279-L283 WeakPolarHBondContact O-CG 3.42Å; A279-L283 PolarHBondContact O-N 3.14Å; L283-F293 HydrophobicContact CD1-CE2 4.24Å; L283-C297 HydrophobicContact CD1-CB 4.35Å; L283-C297 VanDerWaalsContact CD1-SG 3.55Å; L283-V300 HydrophobicContact CD1-CG2 4.36Å; L283-V300 HydrophobicContact CD2-CG2 3.62Å; L283-V300 HydrophobicContact CG-CG2 4.13Å
284N70.6Confident90.9Very high69 Ų6930.4 Ų30.437%0.36917%0.167SC..SBendtrans-83.9-16.9176.2-72.3-31.9000113.7I59I59-N284 WeakPolarHBondContact CD1-OD1 3.48Å; I59-N284 WeakPolarHBondContact CG1-OD1 3.35Å
285S72.3Confident90.9Very high45 Ų4529.1 Ų29.132%0.31516%0.156SC..  trans-115.9138.7-175.7-55.60000110.2F293S285-F293 WeakPolarHBondContact O-CE2 3.26Å
286S81.7Confident90.8Very high71 Ų7126.1 Ų26.150%0.49714%0.143SC..  trans-126.3149.3171.7-179.60000109.5
287L90.4Very high90.7Very high4 Ų426.1 Ų26.12%0.02114%0.143CC..  trans-132.2135.3177.9-177.173.8000107.4T175 V247 L251 Y257 I289 V292 F293 M296T175-L287 PolarHBondContact OG1-O 2.86Å; V247-L287 HydrophobicContact CG1-CD1 3.98Å; V247-L287 HydrophobicContact CG2-CD1 4.31Å; L251-L287 HydrophobicContact CD2-CD1 3.71Å; L251-L287 HydrophobicContact CG-CD1 3.88Å; Y257-L287 HydrophobicContact CE1-CD2 4.05Å; L287-I289 HydrophobicContact CD2-CB 4.1Å; L287-I289 HydrophobicContact CG-CB 4.34Å; L287-I289 PolarHBondContact O-N 3.35Å; L287-V292 HydrophobicContact CD2-CB 3.66Å; L287-V292 HydrophobicContact CD2-CG1 3.31Å; L287-F293 HydrophobicContact CB-CB 4.5Å; L287-M296 HydrophobicContact CB-SD 4.22Å
288Y91.1Very high90.7Very high39 Ų3924.7 Ų24.715%0.15314%0.137CC..SBendtrans-70.9-16.5-175.949.7-100.1000114.9F171 H172 T175 F246 V247 L251 D290F171-Y288 HydrophobicContact CE1-CD2 4.3Å; H172-Y288 AromaticContact CD2-CD2 3.75Å; H172-Y288 AromaticContact CD2-CE2 3.93Å; H172-Y288 AromaticContact CD2-CG 3.8Å; H172-Y288 WeakPolarHBondContact O-CB 3.5Å; T175-Y288 PolarHBondContact OG1-O 3.04Å; F246-Y288 PolarHBondContact O-OH 2.77Å; V247-Y288 HydrophobicContact CG2-CE2 4.36Å; L251-Y288 HydrophobicContact CD2-CD1 3.84Å; L251-Y288 HydrophobicContact CD2-CE1 3.28Å; Y288-D290 PolarHBondContact O-N 2.78Å; Y288-D290 VanDerWaalsContact O-N 3.15Å
289I95.2Very high90.6Very high12 Ų1224.2 Ų24.26%0.06213%0.134CC..  trans-75.998.5169.9-53.7-179.8000107.1V247 L287 D291 V292 F293V247-I289 HydrophobicContact CG2-CD1 3.51Å; V247-I289 HydrophobicContact CG2-CG1 4.35Å; L287-I289 HydrophobicContact CD2-CB 4.1Å; L287-I289 HydrophobicContact CG-CB 4.34Å; L287-I289 PolarHBondContact O-N 3.35Å; I289-D291 VanDerWaalsContact C-N 3.3Å; I289-D291 PolarHBondContact O-N 3.32Å; I289-V292 HydrophobicContact CB-CB 4.2Å; I289-V292 HydrophobicContact CB-CG2 4.2Å; I289-V292 HydrophobicContact CG2-CB 4.04Å; I289-V292 HydrophobicContact CG2-CG2 3.63Å; I289-V292 PolarHBondContact O-N 3.05Å; I289-F293 PolarHBondContact O-N 2.8Å
290D95.4Very high90.5Very high5 Ų525.7 Ų25.73%0.02714%0.143CC..Hα-helixtrans-57.4-40.5-171.356.5-35.1000113.1K100 L174 T175 L178 Y288 V292 F293 M294K100-D290 IonicContact NZ-OD2 3.92Å; K100-D290 PolarHBondContact NZ-OD2 3.49Å; L174-D290 HydrophobicContact CB-CB 3.91Å; T175-D290 WeakPolarHBondContact OG1-CA 3.46Å; L178-D290 HydrophobicContact CB-CB 4.16Å; L178-D290 HydrophobicContact CD1-CB 4.39Å; Y288-D290 PolarHBondContact O-N 2.78Å; Y288-D290 VanDerWaalsContact O-N 3.15Å; D290-V292 PolarHBondContact O-N 3.32Å; D290-F293 PolarHBondContact O-N 2.87Å; D290-M294 WeakPolarHBondContact O-CB 3.48Å; D290-M294 PolarHBondContact O-N 3.42Å
291D95.7Very high90.5Very high22 Ų2227 Ų2712%0.11815%0.149CC..Hα-helixtrans-66.8-39.7-179.6-51.1-30.7000112.4Y260 T261 G263 I289 M294 G295Y260-D291 WeakPolarHBondContact CB-O 3.42Å; Y260-D291 HydrophobicContact CD2-CB 3.66Å; Y260-D291 HydrophobicContact CE2-CB 4.09Å; T261-D291 WeakPolarHBondContact O-CB 3.32Å; G263-D291 WeakPolarHBondContact CA-OD1 3.46Å; G263-D291 WeakPolarHBondContact CA-OD2 3.45Å; G263-D291 PolarHBondContact N-OD1 3.11Å; G263-D291 PolarHBondContact N-OD2 3.18Å; I289-D291 VanDerWaalsContact C-N 3.3Å; I289-D291 PolarHBondContact O-N 3.32Å; D291-M294 WeakPolarHBondContact O-CB 3.33Å; D291-M294 PolarHBondContact O-N 2.9Å; D291-G295 PolarHBondContact O-N 2.98Å; D291-G295 VanDerWaalsContact O-N 3.08Å
292V96.1Very high90.6Very high1 Ų125.1 Ų25.11%0.00615%0.15CC..Hα-helixtrans-69.9-40.1175.8174.90000109.9Y257 Y260 L287 I289 D290 M294 G295 M296Y257-V292 HydrophobicContact CD1-CG1 3.41Å; Y257-V292 VanDerWaalsContact CD1-CG1 3.41Å; Y257-V292 HydrophobicContact CD2-CG1 4.09Å; Y257-V292 HydrophobicContact CD2-CG2 3.77Å; Y257-V292 HydrophobicContact CE1-CG1 3.77Å; Y257-V292 HydrophobicContact CE2-CG1 4.38Å; Y257-V292 HydrophobicContact CE2-CG2 3.9Å; Y257-V292 HydrophobicContact CG-CG1 3.58Å; Y257-V292 HydrophobicContact CG-CG2 4.11Å; Y260-V292 HydrophobicContact CD1-CG2 3.97Å; Y260-V292 HydrophobicContact CD2-CG2 4.32Å; Y260-V292 HydrophobicContact CE1-CG2 3.69Å; Y260-V292 HydrophobicContact CE2-CG2 4.06Å; Y260-V292 HydrophobicContact CG-CG2 4.28Å; L287-V292 HydrophobicContact CD2-CB 3.66Å; L287-V292 HydrophobicContact CD2-CG1 3.31Å; I289-V292 HydrophobicContact CB-CB 4.2Å; I289-V292 HydrophobicContact CB-CG2 4.2Å; I289-V292 HydrophobicContact CG2-CB 4.04Å; I289-V292 HydrophobicContact CG2-CG2 3.63Å; I289-V292 PolarHBondContact O-N 3.05Å; D290-V292 PolarHBondContact O-N 3.32Å; V292-M294 VanDerWaalsContact C-N 3.32Å; V292-M294 PolarHBondContact O-N 3.08Å; V292-G295 CarbonylContact O-C 3.53Å; V292-G295 WeakPolarHBondContact O-CA 3.29Å; V292-G295 PolarHBondContact O-N 3.38Å; V292-G295 VanDerWaalsContact O-N 3.07Å; V292-M296 WeakPolarHBondContact O-CG 3.41Å; V292-M296 PolarHBondContact O-N 2.86Å
293F96.1Very high91Very high5 Ų523 Ų232%0.02214%0.137CC..Hα-helixtrans-62.2-39.3174.4-178.9-111.2000111.8T175 L178 I179 T280 L283 S285 L287 I289 D290 G295 M296 C297T175-F293 HydrophobicContact CG2-CB 4.36Å; T175-F293 HydrophobicContact CG2-CD1 3.39Å; T175-F293 HydrophobicContact CG2-CE1 3.74Å; T175-F293 HydrophobicContact CG2-CG 3.86Å; T175-F293 HydrophobicContact CG2-CZ 4.48Å; L178-F293 HydrophobicContact CD2-CD1 3.65Å; L178-F293 HydrophobicContact CD2-CE1 4.26Å; I179-F293 HydrophobicContact CD1-CE1 4.2Å; I179-F293 HydrophobicContact CG1-CE1 4.1Å; T280-F293 HydrophobicContact CG2-CE1 4.09Å; T280-F293 HydrophobicContact CG2-CZ 4.44Å; L283-F293 HydrophobicContact CD1-CE2 4.24Å; S285-F293 WeakPolarHBondContact O-CE2 3.26Å; L287-F293 HydrophobicContact CB-CB 4.5Å; I289-F293 PolarHBondContact O-N 2.8Å; D290-F293 PolarHBondContact O-N 2.87Å; F293-G295 VanDerWaalsContact C-N 3.3Å; F293-G295 PolarHBondContact O-N 2.69Å; F293-M296 HydrophobicContact CD2-CE 4.32Å; F293-M296 HydrophobicContact CD2-SD 4.48Å; F293-M296 WeakPolarHBondContact O-CB 3.22Å; F293-M296 PolarHBondContact O-N 3.29Å; F293-M296 VanDerWaalsContact O-N 3.13Å; F293-C297 PolarHBondContact O-N 3.05Å; F293-C297 PolarHBondContact O-SG 2.71Å; F293-C297 VanDerWaalsContact O-SG 3.36Å
294M96.2Very high91.5Very high0 Ų028.7 Ų28.70%016%0.162CC..Hα-helixtrans-57.3-42169.8172.361.6-170.100111.6L178 F182 W227 Y266 V268 I276 D290 D291 V292 C297 A298L178-M294 HydrophobicContact CD1-CB 4.18Å; L178-M294 HydrophobicContact CD2-CB 4.11Å; F182-M294 HydrophobicContact CE2-SD 3.96Å; F182-M294 HydrophobicContact CZ-CE 4.26Å; F182-M294 HydrophobicContact CZ-SD 3.8Å; W227-M294 HydrophobicContact CD2-CE 3.9Å; W227-M294 HydrophobicContact CE3-CE 4.45Å; W227-M294 HydrophobicContact CG-CE 4.22Å; W227-M294 HydrophobicContact CH2-CG 4.37Å; W227-M294 HydrophobicContact CZ2-CE 4.01Å; W227-M294 HydrophobicContact CZ2-CG 3.78Å; Y266-M294 HydrophobicContact CE2-CE 4.26Å; V268-M294 HydrophobicContact CG1-CE 4Å; I276-M294 HydrophobicContact CB-SD 4.26Å; I276-M294 HydrophobicContact CD1-CE 3.67Å; I276-M294 HydrophobicContact CD1-SD 3.68Å; I276-M294 HydrophobicContact CG1-CE 3.65Å; I276-M294 HydrophobicContact CG1-SD 3.72Å; I276-M294 HydrophobicContact CG2-SD 3.57Å; I276-M294 VanDerWaalsContact CG2-SD 3.57Å; D290-M294 WeakPolarHBondContact O-CB 3.48Å; D290-M294 PolarHBondContact O-N 3.42Å; D291-M294 WeakPolarHBondContact O-CB 3.33Å; D291-M294 PolarHBondContact O-N 2.9Å; V292-M294 VanDerWaalsContact C-N 3.32Å; V292-M294 PolarHBondContact O-N 3.08Å; M294-C297 WeakPolarHBondContact O-CB 3.01Å; M294-C297 PolarHBondContact O-N 3.27Å; M294-A298 WeakPolarHBondContact O-CB 3.33Å; M294-A298 PolarHBondContact O-N 2.8Å
295G95.8Very high92.7Very high1 Ų126.3 Ų26.31%0.0115%0.15CC..Hα-helixtrans-64.1-37.1172.600000114.5D259 D291 V292 F293 K299D259-G295 WeakPolarHBondContact O-CA 3.35Å; D291-G295 PolarHBondContact O-N 2.98Å; D291-G295 VanDerWaalsContact O-N 3.08Å; V292-G295 CarbonylContact O-C 3.53Å; V292-G295 WeakPolarHBondContact O-CA 3.29Å; V292-G295 PolarHBondContact O-N 3.38Å; V292-G295 VanDerWaalsContact O-N 3.07Å; F293-G295 VanDerWaalsContact C-N 3.3Å; F293-G295 PolarHBondContact O-N 2.69Å; G295-K299 VanDerWaalsContact O-CB 3.29Å; G295-K299 WeakPolarHBondContact O-CB 3.3Å; G295-K299 PolarHBondContact O-N 3.35Å
296M94.6Very high93.8Very high3 Ų328.2 Ų28.22%0.01516%0.155CC..Hα-helixtrans-62.2-48.8171.8-67.7171.34800111.2F55 L56 P258 L287 V292 F293 A298 K299 V300F55-M296 HydrophobicContact CE2-CE 3.94Å; F55-M296 HydrophobicContact CE2-SD 4.45Å; L56-M296 HydrophobicContact CD1-CB 4.49Å; L56-M296 HydrophobicContact CD2-CB 3.72Å; L56-M296 HydrophobicContact CD2-CE 3.59Å; L56-M296 HydrophobicContact CD2-CG 3.86Å; L56-M296 HydrophobicContact CD2-SD 4.46Å; P258-M296 HydrophobicContact CG-CG 4.09Å; L287-M296 HydrophobicContact CB-SD 4.22Å; V292-M296 WeakPolarHBondContact O-CG 3.41Å; V292-M296 PolarHBondContact O-N 2.86Å; F293-M296 HydrophobicContact CD2-CE 4.32Å; F293-M296 HydrophobicContact CD2-SD 4.48Å; F293-M296 WeakPolarHBondContact O-CB 3.22Å; F293-M296 PolarHBondContact O-N 3.29Å; F293-M296 VanDerWaalsContact O-N 3.13Å; M296-A298 PolarHBondContact O-N 3.38Å; M296-K299 PolarHBondContact O-N 3.31Å; M296-V300 WeakPolarHBondContact O-CG2 3.36Å; M296-V300 PolarHBondContact O-N 3.49Å; M296-V300 VanDerWaalsContact O-N 3.16Å
297C95.3Very high94.5Very high0 Ų028.5 Ų28.50%015%0.148CC..Hα-helixtrans-57.3-47.8175.6-710000112.2I276 A279 L283 F293 M294 K299 V300 M301I276-C297 HydrophobicContact CD1-CB 3.89Å; I276-C297 HydrophobicContact CG2-CB 4.09Å; A279-C297 HydrophobicContact CB-CB 3.65Å; L283-C297 HydrophobicContact CD1-CB 4.35Å; L283-C297 VanDerWaalsContact CD1-SG 3.55Å; F293-C297 PolarHBondContact O-N 3.05Å; F293-C297 PolarHBondContact O-SG 2.71Å; F293-C297 VanDerWaalsContact O-SG 3.36Å; M294-C297 WeakPolarHBondContact O-CB 3.01Å; M294-C297 PolarHBondContact O-N 3.27Å; C297-K299 PolarHBondContact O-N 3.12Å; C297-V300 PolarHBondContact O-N 3.35Å; C297-M301 WeakPolarHBondContact O-CG 3.31Å; C297-M301 PolarHBondContact O-N 3.19Å; C297-M301 VanDerWaalsContact O-N 3.15Å
298A95Very high94.7Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-63.3-41.9179.700000112W227 I276 M294 M296 V300 M301 G302 V303W227-A298 HydrophobicContact CE3-CB 3.64Å; W227-A298 HydrophobicContact CH2-CB 3.86Å; W227-A298 HydrophobicContact CZ3-CB 3.15Å; I276-A298 HydrophobicContact CD1-CB 3.85Å; M294-A298 WeakPolarHBondContact O-CB 3.33Å; M294-A298 PolarHBondContact O-N 2.8Å; M296-A298 PolarHBondContact O-N 3.38Å; A298-V300 VanDerWaalsContact C-N 3.34Å; A298-V300 PolarHBondContact O-N 2.82Å; A298-M301 CarbonylContact O-C 3.39Å; A298-M301 PolarHBondContact O-N 3.38Å; A298-M301 VanDerWaalsContact O-N 3.08Å; A298-G302 PolarHBondContact O-N 2.95Å; A298-V303 CarbonylContact C-O 3.53Å; A298-V303 HydrophobicContact CB-CB 4.13Å; A298-V303 PolarHBondContact O-N 3Å
299K92.6Very high94.9Very high70 Ų7029.5 Ų29.530%0.30416%0.156SC..Hα-helixtrans-59.2-43.5177.3-175.368.5173.7-170.40111.9L56 P258 G295 M296 C297 M301 G302L56-K299 HydrophobicContact CD1-CB 3.96Å; L56-K299 HydrophobicContact CD1-CG 3.81Å; P258-K299 HydrophobicContact CB-CB 4.31Å; G295-K299 VanDerWaalsContact O-CB 3.29Å; G295-K299 WeakPolarHBondContact O-CB 3.3Å; G295-K299 PolarHBondContact O-N 3.35Å; M296-K299 PolarHBondContact O-N 3.31Å; C297-K299 PolarHBondContact O-N 3.12Å; K299-M301 VanDerWaalsContact C-N 3.28Å; K299-M301 PolarHBondContact O-N 3.31Å; K299-G302 PolarHBondContact O-N 3.41Å
300V91.6Very high94.9Very high30 Ų3029.4 Ų29.418%0.18216%0.155CC..Hα-helixtrans-62.1-37.8175.2172.80000111.6L56 I58 L283 M296 C297 A298 G302L56-V300 HydrophobicContact CB-CG2 3.89Å; I58-V300 HydrophobicContact CD1-CG1 3.93Å; I58-V300 HydrophobicContact CG1-CG1 3.77Å; L283-V300 HydrophobicContact CD1-CG2 4.36Å; L283-V300 HydrophobicContact CD2-CG2 3.62Å; L283-V300 HydrophobicContact CG-CG2 4.13Å; M296-V300 WeakPolarHBondContact O-CG2 3.36Å; M296-V300 PolarHBondContact O-N 3.49Å; M296-V300 VanDerWaalsContact O-N 3.16Å; C297-V300 PolarHBondContact O-N 3.35Å; A298-V300 VanDerWaalsContact C-N 3.34Å; A298-V300 PolarHBondContact O-N 2.82Å; V300-G302 VanDerWaalsContact C-N 3.31Å; V300-G302 PolarHBondContact O-N 2.98Å
301M93Very high95Very high50 Ų5029.2 Ų29.225%0.24615%0.154CC..THydrogen-bonded Turntrans-88.25.9-177.1-65.9-63.2155.700114.4K275 H278 A279 V282 C297 A298 K299 V303K275-M301 HydrophobicContact CB-CB 4.07Å; K275-M301 HydrophobicContact CB-CG 4.1Å; K275-M301 HydrophobicContact CD-CB 4.45Å; K275-M301 WeakPolarHBondContact O-CG 3.28Å; H278-M301 HydrophobicContact CB-CE 4.38Å; A279-M301 HydrophobicContact CB-CE 3.62Å; A279-M301 HydrophobicContact CB-CG 3.68Å; A279-M301 HydrophobicContact CB-SD 4.48Å; V282-M301 HydrophobicContact CG2-CE 4Å; C297-M301 WeakPolarHBondContact O-CG 3.31Å; C297-M301 PolarHBondContact O-N 3.19Å; C297-M301 VanDerWaalsContact O-N 3.15Å; A298-M301 CarbonylContact O-C 3.39Å; A298-M301 PolarHBondContact O-N 3.38Å; A298-M301 VanDerWaalsContact O-N 3.08Å; K299-M301 VanDerWaalsContact C-N 3.28Å; K299-M301 PolarHBondContact O-N 3.31Å; M301-V303 VanDerWaalsContact C-N 3.26Å; M301-V303 HydrophobicContact CB-CG2 4.23Å; M301-V303 PolarHBondContact O-N 3.13Å
302G92.7Very high94.9Very high46 Ų4628.1 Ų28.147%0.47415%0.148SC..THydrogen-bonded Turntrans62.531.2-177.700000113.4A298 K299 V300A298-G302 PolarHBondContact O-N 2.95Å; K299-G302 PolarHBondContact O-N 3.41Å; V300-G302 VanDerWaalsContact C-N 3.31Å; V300-G302 PolarHBondContact O-N 2.98Å
303V94.9Very high94.6Very high4 Ų428.1 Ų28.12%0.02415%0.148CC..  trans-103.8137.1175.7-176.70000108.8W227 V272 K275 A298 M301W227-V303 HydrophobicContact CB-CG1 4.06Å; W227-V303 HydrophobicContact CE3-CG1 4.16Å; V272-V303 HydrophobicContact CG1-CG1 4.01Å; V272-V303 HydrophobicContact CG2-CG1 4.02Å; V272-V303 HydrophobicContact CG2-CG2 4.33Å; K275-V303 HydrophobicContact CD-CG2 3.87Å; A298-V303 CarbonylContact C-O 3.53Å; A298-V303 HydrophobicContact CB-CB 4.13Å; A298-V303 PolarHBondContact O-N 3Å; M301-V303 VanDerWaalsContact C-N 3.26Å; M301-V303 HydrophobicContact CB-CG2 4.23Å; M301-V303 PolarHBondContact O-N 3.13Å
304F94.5Very high94.3Very high126 Ų12631.4 Ų31.455%0.55316%0.164SC*.  trans-121.8139-178.1-60.3-82.8000110.4
305P96.5Very high94Very high18 Ų1832.3 Ų32.312%0.11717%0.173CC..  trans-76.3142.8179.531-31.6000110.8W227 V231 D259 T261W227-P305 HydrophobicContact CD2-CB 3.69Å; W227-P305 HydrophobicContact CE3-CB 3.57Å; W227-P305 HydrophobicContact CE3-CG 4.08Å; W227-P305 HydrophobicContact CG-CB 4.35Å; W227-P305 HydrophobicContact CH2-CB 3.93Å; W227-P305 HydrophobicContact CH2-CG 4.03Å; W227-P305 HydrophobicContact CZ2-CB 4.05Å; W227-P305 HydrophobicContact CZ3-CB 3.68Å; W227-P305 VanDerWaalsContact CZ3-CD 3.44Å; W227-P305 HydrophobicContact CZ3-CG 3.74Å; W227-P305 CarbonylContact O-C 3.03Å; W227-P305 WeakPolarHBondContact O-CA 3.15Å; V231-P305 HydrophobicContact CG1-CB 4.2Å; V231-P305 HydrophobicContact CG1-CG 3.8Å; V231-P305 HydrophobicContact CG2-CB 3.86Å; V231-P305 HydrophobicContact CG2-CG 4.36Å; D259-P305 HydrophobicContact CB-CG 3.48Å; D259-P305 VanDerWaalsContact CB-CG 3.48Å; T261-P305 HydrophobicContact CG2-CB 3.92Å
306M95.6Very high93.9Very high86 Ų8636.4 Ų36.442%0.42419%0.19SC..EExtended strand (participates in β ladder)trans-107.4130177.8-59.4-178.1-137.900109.7L226 W227 V228 G229 H308L226-M306 HydrophobicContact CD1-CE 4.01Å; L226-M306 HydrophobicContact CD1-SD 4.14Å; W227-M306 WeakPolarHBondContact O-CB 3.3Å; W227-M306 PolarHBondContact O-N 3.04Å; V228-M306 WeakPolarHBondContact CA-O 3.42Å; V228-M306 HydrophobicContact CB-CB 4.41Å; V228-M306 HydrophobicContact CG2-CB 4.41Å; G229-M306 PolarHBondContact N-O 2.72Å; G229-M306 VanDerWaalsContact N-O 3.09Å; M306-H308 PolarHBondContact O-N 2.69Å
307Q95.4Very high93.8Very high76 Ų7636.4 Ų36.436%0.35519%0.191SC..EExtended strand (participates in β ladder)trans-71.1129.6174.9-179.268.63900110G229 V231G229-Q307 WeakPolarHBondContact O-CA 3.33Å; V231-Q307 HydrophobicContact CG2-CB 4.22Å
308H95.6Very high93.7Very high35 Ų3537.6 Ų37.616%0.16220%0.198CC..  trans-116.8131.5160.8-169.1-74.9000109.6Y212 V228 G229 M306 Y310 F311 I328Y212-H308 AromaticContact CD2-NE2 3.9Å; Y212-H308 AromaticContact CE2-CD2 3.68Å; Y212-H308 AromaticContact CE2-NE2 3.78Å; Y212-H308 AromaticContact CZ-CD2 3.76Å; V228-H308 HydrophobicContact CG2-CB 3.57Å; G229-H308 PolarHBondContact O-N 3.11Å; M306-H308 PolarHBondContact O-N 2.69Å; H308-Y310 VanDerWaalsContact C-N 3.26Å; H308-Y310 PolarHBondContact ND1-N 2.9Å; H308-Y310 PolarHBondContact O-N 3.08Å; H308-F311 HydrophobicContact CB-CD2 3.58Å; H308-F311 HydrophobicContact CB-CE2 4.14Å; H308-F311 HydrophobicContact CB-CG 4.46Å; H308-F311 AromaticContact CG-CD2 3.74Å; H308-F311 AromaticContact ND1-CD2 3.72Å; H308-F311 PolarHBondContact O-N 2.86Å; H308-I328 WeakPolarHBondContact CE1-CD1 3.31Å
309V95Very high93.6Very high30 Ų3042.8 Ų42.818%0.18222%0.219CC..THydrogen-bonded Turntrans-71.4-21-168.5-62.40000113.8Y379 A383 T386V309-Y379 WeakPolarHBondContact O-CD1 3.2Å; V309-A383 HydrophobicContact CB-CB 3.89Å; V309-A383 HydrophobicContact CG2-CB 4.04Å; V309-T386 HydrophobicContact CG2-CG2 3.98Å
310Y96.1Very high93.6Very high10 Ų1041.5 Ų41.54%0.03921%0.214CC..THydrogen-bonded Turntrans-104.910.6178.8-64.4-71.6000115.2H308 H326 I328 T329 R366 Y379 A383 T386H308-Y310 VanDerWaalsContact C-N 3.26Å; H308-Y310 PolarHBondContact ND1-N 2.9Å; H308-Y310 PolarHBondContact O-N 3.08Å; Y310-H326 WeakPolarHBondContact CB-O 3.26Å; Y310-H326 HydrophobicContact CD1-CB 3.86Å; Y310-H326 HydrophobicContact CD2-CB 3.77Å; Y310-H326 HydrophobicContact CE1-CB 3.46Å; Y310-H326 VanDerWaalsContact CE1-CB 3.46Å; Y310-H326 HydrophobicContact CE2-CB 3.39Å; Y310-H326 HydrophobicContact CG-CB 3.99Å; Y310-H326 AromaticContact CZ-CG 3.79Å; Y310-H326 PolarHBondContact OH-CD2 3.29Å; Y310-I328 WeakPolarHBondContact O-CB 3.42Å; Y310-I328 PolarHBondContact O-N 3.4Å; Y310-T329 PolarHBondContact O-N 3.08Å; Y310-T329 VanDerWaalsContact O-N 3.17Å; Y310-R366 PolarHBondContact OH-NH1 3.08Å; Y310-Y379 WeakPolarHBondContact O-CE1 3.45Å; Y310-A383 HydrophobicContact CD1-CB 4.45Å; Y310-A383 HydrophobicContact CE1-CB 3.97Å; Y310-A383 PolarHBondContact OH-O 3.3Å; Y310-T386 WeakPolarHBondContact CE2-OG1 3.36Å; Y310-T386 PolarHBondContact OH-OG1 2.89Å
311F96.8Very high93.5Very high0 Ų042.9 Ų42.90%022%0.223CC..SBendtrans-85.2121.7157.6-83.1-106.7000107.3L209 H230 G265 V267 H308 I328 T329L209-F311 HydrophobicContact CD1-CZ 4.38Å; H230-F311 HydrophobicContact CB-CB 4.38Å; G265-F311 WeakPolarHBondContact O-CD1 3.47Å; V267-F311 HydrophobicContact CG2-CE1 4.22Å; V267-F311 HydrophobicContact CG2-CZ 3.86Å; H308-F311 HydrophobicContact CB-CD2 3.58Å; H308-F311 HydrophobicContact CB-CE2 4.14Å; H308-F311 HydrophobicContact CB-CG 4.46Å; H308-F311 AromaticContact CG-CD2 3.74Å; H308-F311 AromaticContact ND1-CD2 3.72Å; H308-F311 PolarHBondContact O-N 2.86Å; F311-I328 HydrophobicContact CD2-CB 4.12Å; F311-I328 HydrophobicContact CD2-CD1 4.03Å; F311-I328 HydrophobicContact CD2-CG2 4.08Å; F311-I328 HydrophobicContact CE1-CG2 4.23Å; F311-I328 HydrophobicContact CE2-CB 4.1Å; F311-I328 HydrophobicContact CE2-CD1 3.65Å; F311-I328 HydrophobicContact CE2-CG1 4.47Å; F311-I328 HydrophobicContact CE2-CG2 3.63Å; F311-I328 HydrophobicContact CZ-CG2 3.71Å; F311-T329 WeakPolarHBondContact CA-OG1 3.19Å; F311-T329 HydrophobicContact CD1-CG2 3.79Å; F311-T329 HydrophobicContact CE1-CG2 3.98Å; F311-T329 HydrophobicContact CG-CG2 4.48Å
312S94.3Very high93.4Very high0 Ų040.8 Ų40.80%021%0.214CC..  trans-67.7143176.360.90000111T329 S330 H331 T378S312-T329 VanDerWaalsContact CB-O 3.26Å; S312-T329 WeakPolarHBondContact CB-O 3.33Å; S312-T329 PolarHBondContact N-O 2.72Å; S312-T329 PolarHBondContact N-OG1 3.2Å; S312-T329 PolarHBondContact OG-O 3.3Å; S312-T329 PolarHBondContact OG-OG1 2.98Å; S312-S330 WeakPolarHBondContact OG-CA 3.12Å; S312-H331 PolarHBondContact OG-N 2.81Å; S312-T378 WeakPolarHBondContact CA-O 3.31Å
313G89.9Confident93.5Very high0 Ų038.6 Ų38.60%019%0.191CC..  trans-71.9-138155.200000111G315 H331 N377 T378G313-G315 VanDerWaalsContact C-N 3.29Å; G313-G315 PolarHBondContact O-N 2.66Å; G313-H331 WeakPolarHBondContact O-CB 3.46Å; G313-N377 CarbonylContact C-O 3.53Å; G313-N377 VanDerWaalsContact CA-O 3.22Å; G313-N377 WeakPolarHBondContact CA-O 3.24Å; G313-N377 PolarHBondContact N-O 3.09Å; G313-T378 PolarHBondContact N-O 2.92Å; G313-T378 VanDerWaalsContact N-O 3.09Å
314E88.4Confident93.3Very high75 Ų7539.4 Ų39.435%0.3519%0.194SC..SBendtrans-80.6-2.8-174.6-6192124.200114.3H232 H331 N377H232-E314 IonicContact CE1-OE1 3.28Å; H232-E314 PolarHBondContact CE1-OE1 2.96Å; H232-E314 VanDerWaalsContact CE1-OE1 3.28Å; H232-E314 IonicContact CE1-OE2 3.41Å; H232-E314 PolarHBondContact CE1-OE2 3.15Å; H232-E314 IonicContact NE2-OE1 3.66Å; H232-E314 IonicContact NE2-OE2 3.67Å; E314-H331 PolarHBondContact O-ND1 2.91Å; E314-N377 HydrophobicContact CB-CB 4.48Å; E314-N377 PolarHBondContact N-O 3.04Å; E314-N377 PolarHBondContact OE1-ND2 3.22Å; E314-N377 VanDerWaalsContact OE1-ND2 3.11Å; E314-N377 PolarHBondContact OE2-ND2 2.8Å; E314-N377 PolarHBondContact OE2-OD1 3.38Å
315G90.6Very high93Very high18 Ų1837.1 Ų37.119%0.18619%0.187CC..SBendtrans-108.1150.2-175.600000114.6G313 N377 T378G313-G315 VanDerWaalsContact C-N 3.29Å; G313-G315 PolarHBondContact O-N 2.66Å; G315-N377 WeakPolarHBondContact CA-O 3.26Å; G315-N377 PolarHBondContact N-O 3.14Å; G315-T378 VanDerWaalsContact O-CB 3.31Å; G315-T378 WeakPolarHBondContact O-CB 3.28Å; G315-T378 PolarHBondContact O-OG1 3Å
316K93.1Very high92.8Very high88 Ų8839.2 Ų39.238%0.38320%0.195SC..PPolyproline II helixtrans-62.2134.5170.8-81-173.6176.1-160.90111.5H331 G332 D336 T378K316-H331 WeakPolarHBondContact CA-O 2.93Å; K316-H331 WeakPolarHBondContact CG-O 3.2Å; K316-G332 WeakPolarHBondContact CE-O 3.38Å; K316-G332 PolarHBondContact NZ-O 3.31Å; K316-G332 VanDerWaalsContact NZ-O 3.08Å; K316-D336 IonicContact NZ-OD1 3.59Å; K316-D336 IonicContact NZ-OD2 3.4Å; K316-D336 PolarHBondContact NZ-OD2 2.82Å; K316-T378 VanDerWaalsContact C-OG1 3.28Å; K316-T378 WeakPolarHBondContact O-CB 3.48Å; K316-T378 PolarHBondContact O-OG1 3.22Å
317A93.4Very high92.7Very high3 Ų335.1 Ų35.13%0.02518%0.175CC..PPolyproline II helixtrans-62.9142.216500000110.1Y319 I323 M327 S330 T378 Y379A317-Y319 PolarHBondContact O-N 3.44Å; A317-I323 HydrophobicContact CB-CG2 4.32Å; A317-M327 HydrophobicContact CB-SD 3.79Å; A317-S330 VanDerWaalsContact CB-OG 3.31Å; A317-S330 WeakPolarHBondContact CB-OG 3.3Å; A317-S330 PolarHBondContact N-OG 2.97Å; A317-T378 WeakPolarHBondContact CA-OG1 3.33Å; A317-T378 PolarHBondContact N-OG1 3.29Å; A317-Y379 HydrophobicContact CB-CD2 4.47Å; A317-Y379 HydrophobicContact CB-CE2 3.45Å; A317-Y379 VanDerWaalsContact CB-CE2 3.45Å; A317-Y379 WeakPolarHBondContact CB-OH 3.25Å
318P92.9Very high92.8Very high24 Ų2431.7 Ų31.716%0.15616%0.159CC..PPolyproline II helixtrans-60.6136.9173.3-23.233.7000111.9H320 I323 L369 L370P318-H320 PolarHBondContact O-N 3.15Å; P318-I323 HydrophobicContact CB-CG1 4.37Å; P318-L369 HydrophobicContact CB-CB 4.28Å; P318-L369 HydrophobicContact CB-CD1 4.03Å; P318-L369 HydrophobicContact CB-CD2 4.4Å; P318-L369 HydrophobicContact CB-CG 4.48Å; P318-L369 HydrophobicContact CG-CB 4.18Å; P318-L370 HydrophobicContact CG-CD2 3.87Å
319Y92.8Very high92.9Very high109 Ų10930 Ų3043%0.42715%0.152SC..  trans-77.992.3176.9-64.5-21.9000111.3A317 Y324 H333 D336 L340A317-Y319 PolarHBondContact O-N 3.44Å; Y319-Y324 VanDerWaalsContact CA-OH 3.25Å; Y319-Y324 WeakPolarHBondContact CA-OH 3.42Å; Y319-Y324 WeakPolarHBondContact CB-OH 3.39Å; Y319-Y324 HydrophobicContact CD1-CE1 4.48Å; Y319-H333 AromaticContact CE1-CE1 3.72Å; Y319-H333 AromaticContact CZ-CE1 3.85Å; Y319-H333 PolarHBondContact OH-CE1 3.2Å; Y319-H333 PolarHBondContact OH-ND1 3.4Å; Y319-D336 PolarHBondContact OH-OD2 3.23Å; Y319-L340 HydrophobicContact CD1-CD1 4.07Å; Y319-L340 HydrophobicContact CE1-CD1 4.08Å; Y319-L340 HydrophobicContact CE1-CD2 4.15Å
320H92.8Very high93Very high43 Ų4328.6 Ų28.620%0.19914%0.143CC..  trans-154.4139.7177.3-164.2-84.3000111.3P318 C322 I323 Y324 L369P318-H320 PolarHBondContact O-N 3.15Å; H320-C322 VanDerWaalsContact C-N 3.3Å; H320-C322 WeakPolarHBondContact ND1-CB 3.23Å; H320-C322 PolarHBondContact ND1-N 2.87Å; H320-C322 VanDerWaalsContact ND1-N 3.15Å; H320-C322 PolarHBondContact O-N 3.43Å; H320-I323 HydrophobicContact CB-CG1 4.11Å; H320-I323 WeakPolarHBondContact O-CA 3.3Å; H320-I323 WeakPolarHBondContact O-CB 3.5Å; H320-I323 PolarHBondContact O-N 2.9Å; H320-Y324 WeakPolarHBondContact O-CD1 3.48Å; H320-Y324 PolarHBondContact O-N 2.91Å; H320-L369 HydrophobicContact CB-CD1 3.73Å
321P90.1Very high93Very high59 Ų5930.1 Ų30.138%0.38315%0.15SC..Hα-helixtrans-53.4-41178.2-29.836.4000114.6I323 Y324 D325P321-I323 PolarHBondContact O-N 3.44Å; P321-I323 VanDerWaalsContact O-N 3.11Å; P321-Y324 PolarHBondContact O-N 3.07Å; P321-Y324 VanDerWaalsContact O-N 3.12Å; P321-D325 PolarHBondContact O-N 3.3Å
322C90.9Very high92.9Very high7 Ų731.2 Ų31.25%0.04716%0.161CC..Hα-helixtrans-64.1-10.7174.8-61.30000115H320 C362 I365 R366H320-C322 VanDerWaalsContact C-N 3.3Å; H320-C322 WeakPolarHBondContact ND1-CB 3.23Å; H320-C322 PolarHBondContact ND1-N 2.87Å; H320-C322 VanDerWaalsContact ND1-N 3.15Å; H320-C322 PolarHBondContact O-N 3.43Å; C322-C362 HydrophobicContact CB-CB 3.54Å; C322-C362 WeakPolarHBondContact CB-SG 3.46Å; C322-C362 WeakPolarHBondContact SG-CA 3.48Å; C322-C362 WeakPolarHBondContact SG-CB 3.27Å; C322-C362 CovalentContact SG-SG 2.06Å; C322-C362 PolarHBondContact SG-SG 2.78Å; C322-I365 HydrophobicContact CB-CG2 4.41Å; C322-R366 WeakPolarHBondContact O-CD 3.27Å
323I93.3Very high92.9Very high0 Ų031.2 Ų31.20%016%0.161CC..Hα-helixtrans-93.8-39.2172.1-61.8-70000110A317 P318 H320 P321 D325 H326 M327 R366 L369 L370 Y379A317-I323 HydrophobicContact CB-CG2 4.32Å; P318-I323 HydrophobicContact CB-CG1 4.37Å; H320-I323 HydrophobicContact CB-CG1 4.11Å; H320-I323 WeakPolarHBondContact O-CA 3.3Å; H320-I323 WeakPolarHBondContact O-CB 3.5Å; H320-I323 PolarHBondContact O-N 2.9Å; P321-I323 PolarHBondContact O-N 3.44Å; P321-I323 VanDerWaalsContact O-N 3.11Å; I323-D325 VanDerWaalsContact C-N 3.26Å; I323-D325 PolarHBondContact O-N 3.02Å; I323-H326 PolarHBondContact O-N 3.34Å; I323-M327 HydrophobicContact CG2-CB 4.44Å; I323-M327 VanDerWaalsContact O-CB 3.28Å; I323-M327 WeakPolarHBondContact O-CB 3.4Å; I323-M327 PolarHBondContact O-N 2.86Å; I323-R366 HydrophobicContact CD1-CG 3.91Å; I323-L369 HydrophobicContact CD1-CD1 4.48Å; I323-L369 HydrophobicContact CG1-CD1 4.12Å; I323-L370 HydrophobicContact CD1-CD1 3.99Å; I323-L370 HydrophobicContact CD1-CD2 4.06Å; I323-L370 HydrophobicContact CD1-CG 4.11Å; I323-Y379 HydrophobicContact CG2-CD2 4.44Å; I323-Y379 HydrophobicContact CG2-CE2 3.72Å
324Y92.6Very high93.1Very high21 Ų2133.3 Ų33.38%0.08218%0.176CC..Hα-helixtrans-61.7-33.8-175.6-55.9-20.5000113H205 N208 Y319 H320 P321 H326 M327 L340 A343 A344H205-Y324 PolarHBondContact CD2-O 2.69Å; N208-Y324 PolarHBondContact ND2-O 2.75Å; Y319-Y324 VanDerWaalsContact CA-OH 3.25Å; Y319-Y324 WeakPolarHBondContact CA-OH 3.42Å; Y319-Y324 WeakPolarHBondContact CB-OH 3.39Å; Y319-Y324 HydrophobicContact CD1-CE1 4.48Å; H320-Y324 WeakPolarHBondContact O-CD1 3.48Å; H320-Y324 PolarHBondContact O-N 2.91Å; P321-Y324 PolarHBondContact O-N 3.07Å; P321-Y324 VanDerWaalsContact O-N 3.12Å; Y324-H326 PolarHBondContact O-N 2.93Å; Y324-H326 VanDerWaalsContact O-N 3.15Å; Y324-M327 HydrophobicContact CD1-CE 3.59Å; Y324-M327 HydrophobicContact CE1-CE 4.19Å; Y324-M327 HydrophobicContact CG-CE 4.36Å; Y324-L340 HydrophobicContact CD1-CD1 4.44Å; Y324-L340 HydrophobicContact CE1-CD1 3.68Å; Y324-A343 WeakPolarHBondContact CD2-O 3.4Å; Y324-A343 HydrophobicContact CE2-CB 4.02Å; Y324-A344 HydrophobicContact CD2-CB 4.13Å; Y324-A344 HydrophobicContact CG-CB 4.05Å
325D87.8Confident93.5Very high77 Ų7736 Ų3641%0.41220%0.197SC..THydrogen-bonded Turntrans-58.2-29.6-179.8-167.757.1000113.8N208 P321 I323N208-D325 PolarHBondContact ND2-O 3.19Å; N208-D325 VanDerWaalsContact ND2-O 3.09Å; N208-D325 PolarHBondContact OD1-O 3.02Å; P321-D325 PolarHBondContact O-N 3.3Å; I323-D325 VanDerWaalsContact C-N 3.26Å; I323-D325 PolarHBondContact O-N 3.02Å
326H91.1Very high93.7Very high62 Ų6236.3 Ų36.329%0.28720%0.195SC..THydrogen-bonded Turntrans-118.8-15.9-177.9-56.8-65.1000114.5Y310 I323 Y324 I328 R366Y310-H326 WeakPolarHBondContact CB-O 3.26Å; Y310-H326 HydrophobicContact CD1-CB 3.86Å; Y310-H326 HydrophobicContact CD2-CB 3.77Å; Y310-H326 HydrophobicContact CE1-CB 3.46Å; Y310-H326 VanDerWaalsContact CE1-CB 3.46Å; Y310-H326 HydrophobicContact CE2-CB 3.39Å; Y310-H326 HydrophobicContact CG-CB 3.99Å; Y310-H326 AromaticContact CZ-CG 3.79Å; Y310-H326 PolarHBondContact OH-CD2 3.29Å; I323-H326 PolarHBondContact O-N 3.34Å; Y324-H326 PolarHBondContact O-N 2.93Å; Y324-H326 VanDerWaalsContact O-N 3.15Å; H326-I328 PolarHBondContact O-N 2.94Å; H326-R366 PolarHBondContact CD2-NH1 3.13Å; H326-R366 PolarHBondContact NE2-NH1 2.98Å
327M94.6Very high93.9Very high1 Ų132.4 Ų32.41%0.00518%0.179CC..  trans-50.8134.4178165.8161.578.800111.1F203 H205 N208 A317 I323 Y324 L340 A344 Y379F203-M327 HydrophobicContact CD1-CE 3.79Å; F203-M327 HydrophobicContact CD1-SD 4.37Å; F203-M327 HydrophobicContact CE1-CE 3.62Å; H205-M327 HydrophobicContact CB-CG 4.39Å; H205-M327 WeakPolarHBondContact CB-O 3.43Å; N208-M327 WeakPolarHBondContact CB-O 3.28Å; N208-M327 PolarHBondContact ND2-O 3.36Å; A317-M327 HydrophobicContact CB-SD 3.79Å; I323-M327 HydrophobicContact CG2-CB 4.44Å; I323-M327 VanDerWaalsContact O-CB 3.28Å; I323-M327 WeakPolarHBondContact O-CB 3.4Å; I323-M327 PolarHBondContact O-N 2.86Å; Y324-M327 HydrophobicContact CD1-CE 3.59Å; Y324-M327 HydrophobicContact CE1-CE 4.19Å; Y324-M327 HydrophobicContact CG-CE 4.36Å; M327-L340 HydrophobicContact CE-CD1 4.36Å; M327-A344 HydrophobicContact CE-CB 4.42Å; M327-Y379 WeakPolarHBondContact CG-OH 3.49Å; M327-Y379 PolarHBondContact SD-OH 3.16Å; M327-Y379 VanDerWaalsContact SD-OH 3.42Å
328I97.1Very high94.1Very high4 Ų436.6 Ų36.62%0.02119%0.194CC..  trans-108.8-51.1169.3-60.7-174.9000110.1V204 H205 L209 Y212 H308 Y310 F311 H326V204-I328 CarbonylContact C-O 3.52Å; V204-I328 WeakPolarHBondContact CA-O 3.45Å; H205-I328 PolarHBondContact N-O 3.21Å; L209-I328 HydrophobicContact CB-CG2 4.18Å; L209-I328 HydrophobicContact CD1-CG2 4Å; Y212-I328 HydrophobicContact CG-CD1 4.42Å; H308-I328 WeakPolarHBondContact CE1-CD1 3.31Å; Y310-I328 WeakPolarHBondContact O-CB 3.42Å; Y310-I328 PolarHBondContact O-N 3.4Å; F311-I328 HydrophobicContact CD2-CB 4.12Å; F311-I328 HydrophobicContact CD2-CD1 4.03Å; F311-I328 HydrophobicContact CD2-CG2 4.08Å; F311-I328 HydrophobicContact CE1-CG2 4.23Å; F311-I328 HydrophobicContact CE2-CB 4.1Å; F311-I328 HydrophobicContact CE2-CD1 3.65Å; F311-I328 HydrophobicContact CE2-CG1 4.47Å; F311-I328 HydrophobicContact CE2-CG2 3.63Å; F311-I328 HydrophobicContact CZ-CG2 3.71Å; H326-I328 PolarHBondContact O-N 2.94Å
329T97.5Very high94.2Very high0 Ų038.8 Ų38.80%021%0.21CC..EExtended strand (participates in β ladder)trans-130.3150.6176.369.10000112M196 F203 Y310 F311 S312 Y379M196-T329 HydrophobicContact CE-CG2 3.88Å; F203-T329 CarbonylContact O-C 3.57Å; F203-T329 VanDerWaalsContact O-CA 3.23Å; F203-T329 WeakPolarHBondContact O-CA 3.34Å; Y310-T329 PolarHBondContact O-N 3.08Å; Y310-T329 VanDerWaalsContact O-N 3.17Å; F311-T329 WeakPolarHBondContact CA-OG1 3.19Å; F311-T329 HydrophobicContact CD1-CG2 3.79Å; F311-T329 HydrophobicContact CE1-CG2 3.98Å; F311-T329 HydrophobicContact CG-CG2 4.48Å; S312-T329 VanDerWaalsContact CB-O 3.26Å; S312-T329 WeakPolarHBondContact CB-O 3.33Å; S312-T329 PolarHBondContact N-O 2.72Å; S312-T329 PolarHBondContact N-OG1 3.2Å; S312-T329 PolarHBondContact OG-O 3.3Å; S312-T329 PolarHBondContact OG-OG1 2.98Å; T329-Y379 WeakPolarHBondContact O-CE1 3.43Å; T329-Y379 PolarHBondContact O-OH 3.25Å
330S97Very high94.3Very high0 Ų033.9 Ų33.90%019%0.191CC..EExtended strand (participates in β ladder)trans-137.8136.8168.9176.80000109.7I202 F203 S312 A317 H333I202-S330 WeakPolarHBondContact CA-O 3.49Å; I202-S330 WeakPolarHBondContact CG2-O 3.26Å; F203-S330 PolarHBondContact N-O 2.91Å; F203-S330 PolarHBondContact O-N 2.85Å; S312-S330 WeakPolarHBondContact OG-CA 3.12Å; A317-S330 VanDerWaalsContact CB-OG 3.31Å; A317-S330 WeakPolarHBondContact CB-OG 3.3Å; A317-S330 PolarHBondContact N-OG 2.97Å; S330-H333 WeakPolarHBondContact CB-NE2 3.37Å; S330-H333 PolarHBondContact O-CD2 2.82Å; S330-H333 PolarHBondContact OG-NE2 3.31Å
331H95.7Very high94.5Very high42 Ų4233.1 Ų33.119%0.19419%0.186CC..EExtended strand (participates in β ladder)trans-94.3149.9-173.9-177.8-83.2000112.8I202 A264 S312 G313 E314 K316I202-H331 HydrophobicContact CD1-CB 3.93Å; I202-H331 WeakPolarHBondContact CD1-CD2 3.33Å; A264-H331 HydrophobicContact CB-CB 4.32Å; S312-H331 PolarHBondContact OG-N 2.81Å; G313-H331 WeakPolarHBondContact O-CB 3.46Å; E314-H331 PolarHBondContact O-ND1 2.91Å; K316-H331 WeakPolarHBondContact CA-O 2.93Å; K316-H331 WeakPolarHBondContact CG-O 3.2Å
332G94.6Very high94.6Very high22 Ų2237.8 Ų37.823%0.22720%0.196CC..  trans92.320.916800000116D201 K316 S334D201-G332 CarbonylContact O-C 3.56Å; D201-G332 WeakPolarHBondContact O-CA 3.36Å; D201-G332 PolarHBondContact O-N 3.48Å; K316-G332 WeakPolarHBondContact CE-O 3.38Å; K316-G332 PolarHBondContact NZ-O 3.31Å; K316-G332 VanDerWaalsContact NZ-O 3.08Å; G332-S334 PolarHBondContact O-N 3.24Å
333H95.7Very high94.7Very high1 Ų139 Ų391%0.00521%0.206CC..  trans-88.766.2178-59.9-69.2000113D201 F203 Y319 S330 T335 D336 V337 L340D201-H333 PolarHBondContact O-N 3.41Å; F203-H333 VanDerWaalsContact CB-CD2 3.43Å; F203-H333 WeakPolarHBondContact CB-CD2 3.28Å; Y319-H333 AromaticContact CE1-CE1 3.72Å; Y319-H333 AromaticContact CZ-CE1 3.85Å; Y319-H333 PolarHBondContact OH-CE1 3.2Å; Y319-H333 PolarHBondContact OH-ND1 3.4Å; S330-H333 WeakPolarHBondContact CB-NE2 3.37Å; S330-H333 PolarHBondContact O-CD2 2.82Å; S330-H333 PolarHBondContact OG-NE2 3.31Å; H333-T335 VanDerWaalsContact C-N 3.33Å; H333-D336 WeakPolarHBondContact CA-OD1 3.46Å; H333-D336 VanDerWaalsContact CB-OD1 3.27Å; H333-D336 WeakPolarHBondContact CB-OD1 3.27Å; H333-D336 IonicContact CG-OD1 2.75Å; H333-D336 IonicContact ND1-OD1 2.72Å; H333-D336 PolarHBondContact ND1-OD1 3.43Å; H333-D336 IonicContact ND1-OD2 2.82Å; H333-V337 HydrophobicContact CB-CG2 3.56Å; H333-V337 WeakPolarHBondContact O-CG2 3.31Å; H333-L340 VanDerWaalsContact CE1-CD2 3.4Å; H333-L340 WeakPolarHBondContact CE1-CD2 3.12Å
334S94.1Very high94.6Very high43 Ų4339.4 Ų39.430%0.30121%0.21SC..SBendtrans-74.8-22.2175.7-60.20000114R108 G332R108-S334 VanDerWaalsContact CZ-OG 3.31Å; R108-S334 PolarHBondContact NH2-OG 2.49Å; G332-S334 PolarHBondContact O-N 3.24Å
335T95.3Very high94.3Very high131 Ų13140.2 Ų40.280%0.80422%0.215SC*.SBendtrans-134-19.6-169.253.20000114.4H333H333-T335 VanDerWaalsContact C-N 3.33Å
336D96.3Very high93.5Very high26 Ų2641.6 Ų41.614%0.13922%0.223CC..  trans-1148.6-167.857.2-2.4000114K316 Y319 H333 R338 S339 L340K316-D336 IonicContact NZ-OD1 3.59Å; K316-D336 IonicContact NZ-OD2 3.4Å; K316-D336 PolarHBondContact NZ-OD2 2.82Å; Y319-D336 PolarHBondContact OH-OD2 3.23Å; H333-D336 WeakPolarHBondContact CA-OD1 3.46Å; H333-D336 VanDerWaalsContact CB-OD1 3.27Å; H333-D336 WeakPolarHBondContact CB-OD1 3.27Å; H333-D336 IonicContact CG-OD1 2.75Å; H333-D336 IonicContact ND1-OD1 2.72Å; H333-D336 PolarHBondContact ND1-OD1 3.43Å; H333-D336 IonicContact ND1-OD2 2.82Å; D336-R338 VanDerWaalsContact C-N 3.29Å; D336-R338 PolarHBondContact O-N 2.78Å; D336-S339 WeakPolarHBondContact CA-OG 3.49Å; D336-S339 PolarHBondContact O-N 3.18Å; D336-S339 PolarHBondContact O-OG 2.91Å; D336-L340 WeakPolarHBondContact O-CB 3.45Å; D336-L340 PolarHBondContact O-N 2.96Å
337V96.7Very high92.1Very high6 Ų645.1 Ų45.14%0.03624%0.237CC..Hα-helixtrans-51.9-46178.2178.90000111.8A111 T115 F203 H333 L340 W341A111-V337 HydrophobicContact CB-CB 4.49Å; T115-V337 HydrophobicContact CG2-CG1 4.31Å; T115-V337 VanDerWaalsContact OG1-CG1 3.29Å; T115-V337 WeakPolarHBondContact OG1-CG1 3.28Å; F203-V337 HydrophobicContact CD2-CG1 4.27Å; H333-V337 HydrophobicContact CB-CG2 3.56Å; H333-V337 WeakPolarHBondContact O-CG2 3.31Å; V337-L340 PolarHBondContact O-N 3.07Å; V337-W341 VanDerWaalsContact O-CB 3.31Å; V337-W341 WeakPolarHBondContact O-CB 3.45Å; V337-W341 PolarHBondContact O-N 3.32Å
338R96.6Very high90.2Very high91 Ų9149.8 Ų49.834%0.34327%0.267SS..Hα-helixtrans-64.7-42.5-178.7-67.8-179.217992.9-1.5112.7A111 E114 T115 D336 R342A111-R338 HydrophobicContact CB-CG 4.39Å; E114-R338 IonicContact OE1-NH2 3.74Å; E114-R338 IonicContact OE2-CZ 2.75Å; E114-R338 IonicContact OE2-NE 2.77Å; E114-R338 PolarHBondContact OE2-NE 2.86Å; E114-R338 IonicContact OE2-NH2 3.61Å; E114-R338 PolarHBondContact OE2-NH2 2.91Å; T115-R338 HydrophobicContact CG2-CG 4.11Å; D336-R338 VanDerWaalsContact C-N 3.29Å; D336-R338 PolarHBondContact O-N 2.78Å; R338-R342 WeakPolarHBondContact O-CG 3.47Å; R338-R342 PolarHBondContact O-N 2.79Å
339S95.7Very high88Confident70 Ų7050.9 Ų50.949%0.4928%0.277SS..Hα-helixtrans-68.6-40.5177.339.60000111.7D336 A343D336-S339 WeakPolarHBondContact CA-OG 3.49Å; D336-S339 PolarHBondContact O-N 3.18Å; D336-S339 PolarHBondContact O-OG 2.91Å; S339-A343 WeakPolarHBondContact O-CB 3.33Å; S339-A343 PolarHBondContact O-N 3.11Å
340L95.7Very high85.7Confident5 Ų553.6 Ų53.63%0.02630%0.296CS..Hα-helixtrans-66.9-40.7177-17956.7000111.3F203 Y319 Y324 M327 H333 D336 V337 R342 A343 A344F203-L340 HydrophobicContact CB-CD2 3.73Å; F203-L340 HydrophobicContact CD1-CD2 3.87Å; F203-L340 HydrophobicContact CD1-CG 4.28Å; F203-L340 HydrophobicContact CD2-CB 4.17Å; F203-L340 HydrophobicContact CD2-CD2 3.73Å; F203-L340 HydrophobicContact CD2-CG 3.85Å; F203-L340 HydrophobicContact CE1-CD2 4.44Å; F203-L340 HydrophobicContact CE1-CG 4.38Å; F203-L340 HydrophobicContact CE2-CB 4.28Å; F203-L340 HydrophobicContact CE2-CD2 4.31Å; F203-L340 HydrophobicContact CE2-CG 3.94Å; F203-L340 HydrophobicContact CG-CD2 3.47Å; F203-L340 VanDerWaalsContact CG-CD2 3.47Å; F203-L340 HydrophobicContact CG-CG 4.02Å; F203-L340 HydrophobicContact CZ-CG 4.21Å; Y319-L340 HydrophobicContact CD1-CD1 4.07Å; Y319-L340 HydrophobicContact CE1-CD1 4.08Å; Y319-L340 HydrophobicContact CE1-CD2 4.15Å; Y324-L340 HydrophobicContact CD1-CD1 4.44Å; Y324-L340 HydrophobicContact CE1-CD1 3.68Å; M327-L340 HydrophobicContact CE-CD1 4.36Å; H333-L340 VanDerWaalsContact CE1-CD2 3.4Å; H333-L340 WeakPolarHBondContact CE1-CD2 3.12Å; D336-L340 WeakPolarHBondContact O-CB 3.45Å; D336-L340 PolarHBondContact O-N 2.96Å; V337-L340 PolarHBondContact O-N 3.07Å; L340-R342 PolarHBondContact O-N 3.31Å; L340-A343 PolarHBondContact O-N 3.23Å; L340-A344 VanDerWaalsContact O-CB 3.25Å; L340-A344 WeakPolarHBondContact O-CB 3.24Å; L340-A344 PolarHBondContact O-N 3.32Å
341W95.5Very high83.5Confident27 Ų2760.2 Ų60.210%0.10233%0.331CS..Hα-helixtrans-55.8-51.7175.2-178.6-101.8000111.5T115 W116 F121 F203 M206 V337 A343 A344 I345T115-W341 HydrophobicContact CG2-CB 3.66Å; T115-W341 HydrophobicContact CG2-CD2 4.36Å; T115-W341 HydrophobicContact CG2-CG 3.68Å; W116-W341 HydrophobicContact CB-CE3 3.94Å; W116-W341 HydrophobicContact CB-CH2 4.44Å; W116-W341 HydrophobicContact CB-CZ3 3.62Å; F121-W341 HydrophobicContact CD1-CH2 4.16Å; F121-W341 AromaticContact CD1-CZ2 3.97Å; F121-W341 HydrophobicContact CD1-CZ2 3.97Å; F121-W341 AromaticContact CE1-CH2 3.67Å; F121-W341 HydrophobicContact CE1-CH2 3.67Å; F121-W341 AromaticContact CE1-CZ2 3.62Å; F121-W341 HydrophobicContact CE1-CZ2 3.62Å; F121-W341 HydrophobicContact CE2-CZ2 4.33Å; F121-W341 HydrophobicContact CZ-CH2 4.19Å; F121-W341 AromaticContact CZ-CZ2 3.81Å; F121-W341 HydrophobicContact CZ-CZ2 3.81Å; F203-W341 HydrophobicContact CE2-CB 3.95Å; F203-W341 AromaticContact CE2-CE3 3.81Å; F203-W341 HydrophobicContact CE2-CE3 3.81Å; F203-W341 AromaticContact CZ-CE3 3.8Å; F203-W341 HydrophobicContact CZ-CE3 3.8Å; F203-W341 HydrophobicContact CZ-CZ3 4.48Å; M206-W341 HydrophobicContact CB-CH2 4.42Å; M206-W341 HydrophobicContact CB-CZ3 4.47Å; V337-W341 VanDerWaalsContact O-CB 3.31Å; V337-W341 WeakPolarHBondContact O-CB 3.45Å; V337-W341 PolarHBondContact O-N 3.32Å; W341-A343 VanDerWaalsContact C-N 3.34Å; W341-A343 PolarHBondContact O-N 3.39Å; W341-A344 PolarHBondContact O-N 3.02Å; W341-I345 HydrophobicContact CD2-CG1 3.66Å; W341-I345 HydrophobicContact CE3-CD1 4.26Å; W341-I345 HydrophobicContact CE3-CG1 3.76Å; W341-I345 HydrophobicContact CG-CG1 4.28Å; W341-I345 HydrophobicContact CH2-CD1 3.92Å; W341-I345 HydrophobicContact CH2-CG1 3.91Å; W341-I345 HydrophobicContact CZ2-CD1 4.26Å; W341-I345 HydrophobicContact CZ2-CG1 3.81Å; W341-I345 HydrophobicContact CZ3-CD1 3.91Å; W341-I345 HydrophobicContact CZ3-CG1 3.88Å; W341-I345 VanDerWaalsContact O-CB 3.3Å; W341-I345 WeakPolarHBondContact O-CB 3.43Å; W341-I345 VanDerWaalsContact O-CG1 3.28Å; W341-I345 WeakPolarHBondContact O-CG1 3.38Å; W341-I345 PolarHBondContact O-N 3.48Å
342R94.1Very high81.4Confident158 Ų15862.3 Ų62.360%0.59635%0.351SS*.Hα-helixtrans-58.4-45.8175.7-68173.8-171.9166.31111.8R338 L340 A344 D346R338-R342 WeakPolarHBondContact O-CG 3.47Å; R338-R342 PolarHBondContact O-N 2.79Å; L340-R342 PolarHBondContact O-N 3.31Å; R342-A344 VanDerWaalsContact C-N 3.33Å; R342-A344 PolarHBondContact O-N 3.48Å; R342-D346 WeakPolarHBondContact CA-OD2 3.29Å; R342-D346 WeakPolarHBondContact CB-OD2 3.48Å; R342-D346 WeakPolarHBondContact O-CA 3.27Å; R342-D346 WeakPolarHBondContact O-CB 3.38Å; R342-D346 PolarHBondContact O-N 3.24Å
343A92.3Very high79.6Confident32 Ų3262.2 Ų62.226%0.26435%0.347SS..Hα-helixtrans-67-31.2-179.500000113.8Y324 S339 L340 W341Y324-A343 WeakPolarHBondContact CD2-O 3.4Å; Y324-A343 HydrophobicContact CE2-CB 4.02Å; S339-A343 WeakPolarHBondContact O-CB 3.33Å; S339-A343 PolarHBondContact O-N 3.11Å; L340-A343 PolarHBondContact O-N 3.23Å; W341-A343 VanDerWaalsContact C-N 3.34Å; W341-A343 PolarHBondContact O-N 3.39Å
344A91.8Very high78.2Confident8 Ų871.3 Ų71.37%0.06638%0.381CS..Hα-helixtrans-88.6-31.5-177.800000113.1F203 Y324 M327 L340 W341 R342F203-A344 HydrophobicContact CE1-CB 4.47Å; F203-A344 HydrophobicContact CZ-CB 4.13Å; Y324-A344 HydrophobicContact CD2-CB 4.13Å; Y324-A344 HydrophobicContact CG-CB 4.05Å; M327-A344 HydrophobicContact CE-CB 4.42Å; L340-A344 VanDerWaalsContact O-CB 3.25Å; L340-A344 WeakPolarHBondContact O-CB 3.24Å; L340-A344 PolarHBondContact O-N 3.32Å; W341-A344 PolarHBondContact O-N 3.02Å; R342-A344 VanDerWaalsContact C-N 3.33Å; R342-A344 PolarHBondContact O-N 3.48Å
345I85.9Confident77.5Confident39 Ų3971.3 Ų71.320%0.239%0.388CS..Hα-helixtrans-97.5-43.5-176.1-56.5-62.6000112F121 P207 W341 F347F121-I345 HydrophobicContact CZ-CG2 4.41Å; P207-I345 HydrophobicContact CG-CD1 3.72Å; W341-I345 HydrophobicContact CD2-CG1 3.66Å; W341-I345 HydrophobicContact CE3-CD1 4.26Å; W341-I345 HydrophobicContact CE3-CG1 3.76Å; W341-I345 HydrophobicContact CG-CG1 4.28Å; W341-I345 HydrophobicContact CH2-CD1 3.92Å; W341-I345 HydrophobicContact CH2-CG1 3.91Å; W341-I345 HydrophobicContact CZ2-CD1 4.26Å; W341-I345 HydrophobicContact CZ2-CG1 3.81Å; W341-I345 HydrophobicContact CZ3-CD1 3.91Å; W341-I345 HydrophobicContact CZ3-CG1 3.88Å; W341-I345 VanDerWaalsContact O-CB 3.3Å; W341-I345 WeakPolarHBondContact O-CB 3.43Å; W341-I345 VanDerWaalsContact O-CG1 3.28Å; W341-I345 WeakPolarHBondContact O-CG1 3.38Å; W341-I345 PolarHBondContact O-N 3.48Å; I345-F347 VanDerWaalsContact C-N 3.34Å
346D69.6Low77.1Confident106 Ų10673 Ų7357%0.56739%0.385SS*.THydrogen-bonded Turntrans-80.7-17.1-174.9-53.7-30.4000112.6R342 P348R342-D346 WeakPolarHBondContact CA-OD2 3.29Å; R342-D346 WeakPolarHBondContact CB-OD2 3.48Å; R342-D346 WeakPolarHBondContact O-CA 3.27Å; R342-D346 WeakPolarHBondContact O-CB 3.38Å; R342-D346 PolarHBondContact O-N 3.24Å; D346-P348 WeakPolarHBondContact O-CD 3.36Å
347F62Low76.6Confident136 Ų13678.3 Ų78.360%0.59641%0.412SS*.SBendtrans-102.377.3166.7-78.8-92000109.1I345 A349I345-F347 VanDerWaalsContact C-N 3.34Å; F347-A349 PolarHBondContact O-N 2.84Å; F347-A349 VanDerWaalsContact O-N 3.11Å
348P54.6Low76.1Confident98 Ų9878.2 Ų78.264%0.63641%0.412SS*.  trans-54.1128.1161.126.1-30.5000105.2D346 S350D346-P348 WeakPolarHBondContact O-CD 3.36Å; P348-S350 WeakPolarHBondContact O-CA 3.2Å; P348-S350 PolarHBondContact O-N 2.77Å
349A52.4Low75.7Confident27 Ų2778.6 Ų78.622%0.22342%0.422CS..SBendtrans-32.9106-173.100000109.1F347 S353F347-A349 PolarHBondContact O-N 2.84Å; F347-A349 VanDerWaalsContact O-N 3.11Å; A349-S353 WeakPolarHBondContact CB-OG 3.4Å; A349-S353 PolarHBondContact O-OG 2.98Å
350S48Very low75.4Confident57 Ų5780.1 Ų80.140%0.39942%0.424SS..  trans-48.5151.7-168.568.70000108.8P348 S352 S353P348-S350 WeakPolarHBondContact O-CA 3.2Å; P348-S350 PolarHBondContact O-N 2.77Å; S350-S352 CarbonylContact O-C 3.59Å; S350-S352 WeakPolarHBondContact O-CA 3.37Å; S350-S352 PolarHBondContact O-N 3.23Å; S350-S352 WeakPolarHBondContact OG-CB 3.47Å; S350-S352 PolarHBondContact OG-OG 3.5Å; S350-S353 PolarHBondContact O-N 3.35Å; S350-S353 PolarHBondContact O-OG 3.26Å
351N50.6Low75.3Confident139 Ų13985.6 Ų85.674%0.74345%0.445SS*.G310 helixtrans-42.2-21.7178.9-81.6-23.6000114.5S353 R354N351-S353 PolarHBondContact O-N 2.88Å; N351-R354 PolarHBondContact O-N 3.35Å
352S51.7Low75.1Confident87 Ų8785 Ų8561%0.60845%0.445SS*.G310 helixtrans-55.1-19.9167.8-34.30000116.8S350 G358S350-S352 CarbonylContact O-C 3.59Å; S350-S352 WeakPolarHBondContact O-CA 3.37Å; S350-S352 PolarHBondContact O-N 3.23Å; S350-S352 WeakPolarHBondContact OG-CB 3.47Å; S350-S352 PolarHBondContact OG-OG 3.5Å; S352-G358 WeakPolarHBondContact O-CA 3.49Å
353S57.2Low75Confident20 Ų2079.5 Ų79.514%0.1443%0.429CS..G310 helixtrans-99.1-14.8-179.4600000113.6A349 S350 N351 G358 N359A349-S353 WeakPolarHBondContact CB-OG 3.4Å; A349-S353 PolarHBondContact O-OG 2.98Å; S350-S353 PolarHBondContact O-N 3.35Å; S350-S353 PolarHBondContact O-OG 3.26Å; N351-S353 PolarHBondContact O-N 2.88Å; S353-G358 CarbonylContact O-C 3.59Å; S353-N359 PolarHBondContact O-OD1 3.05Å
354R66.8Low75.1Confident191 Ų19180.8 Ų80.872%0.72144%0.44SS*.SBendtrans-85.9130.1-178.6-74.4-176.8173.6177-2110.5N351N351-R354 PolarHBondContact O-N 3.35Å
355G79.4Confident75.2Confident44 Ų4481.6 Ų81.645%0.45444%0.443SS..SBendtrans99.4173.7-179.900000113.4L357 G358 N359G355-L357 PolarHBondContact O-N 2.84Å; G355-G358 PolarHBondContact O-N 3.1Å; G355-N359 PolarHBondContact O-N 3.24Å
356F85.7Confident75.6Confident166 Ų16680.4 Ų80.473%0.72844%0.435SS*.Hα-helixtrans-56.8-45.5-170.9179.2-100.4000113.6N359 L360F356-N359 PolarHBondContact O-N 3.34Å; F356-L360 WeakPolarHBondContact O-CB 3.39Å; F356-L360 PolarHBondContact O-N 3.27Å
357L87.3Confident76.8Confident137 Ų13777.8 Ų77.872%0.71742%0.423SS*.Hα-helixtrans-67.4-37.3179.6-69.3172.6000112.5G355 L360 Y361G355-L357 PolarHBondContact O-N 2.84Å; L357-L360 PolarHBondContact O-N 2.88Å; L357-Y361 WeakPolarHBondContact O-CB 3.34Å; L357-Y361 PolarHBondContact O-N 2.89Å
358G86.3Confident78.3Confident4 Ų477 Ų774%0.04142%0.423CS..Hα-helixtrans-66-42.717600000112.2S352 S353 G355 L360 Y361 C362S352-G358 WeakPolarHBondContact O-CA 3.49Å; S353-G358 CarbonylContact O-C 3.59Å; G355-G358 PolarHBondContact O-N 3.1Å; G358-L360 PolarHBondContact O-N 3.38Å; G358-Y361 PolarHBondContact O-N 3.26Å; G358-C362 PolarHBondContact O-N 2.93Å
359N86.6Confident80.1Confident100 Ų10073.3 Ų73.354%0.53540%0.398SS..Hα-helixtrans-63.1-41.8174.4-71.9-8.8000111.9S353 G355 F356 C362 T363S353-N359 PolarHBondContact O-OD1 3.05Å; G355-N359 PolarHBondContact O-N 3.24Å; F356-N359 PolarHBondContact O-N 3.34Å; N359-C362 PolarHBondContact O-N 3.06Å; N359-T363 VanDerWaalsContact O-CB 3.3Å; N359-T363 WeakPolarHBondContact O-CB 3.42Å; N359-T363 PolarHBondContact O-N 3.46Å; N359-T363 PolarHBondContact O-OG1 2.9Å
360L90.7Very high82Confident102 Ų10272.9 Ų72.953%0.53439%0.391SS..Hα-helixtrans-64.3-44.7176.6-173.566.5000111.1F356 L357 G358 T363 A364F356-L360 WeakPolarHBondContact O-CB 3.39Å; F356-L360 PolarHBondContact O-N 3.27Å; L357-L360 PolarHBondContact O-N 2.88Å; G358-L360 PolarHBondContact O-N 3.38Å; L360-T363 PolarHBondContact O-N 3.33Å; L360-A364 WeakPolarHBondContact O-CB 3.36Å; L360-A364 PolarHBondContact O-N 3.34Å
361Y92.2Very high84.1Confident119 Ų11972 Ų7247%0.46739%0.385SS..Hα-helixtrans-58.5-52.7174.7168.2-100.2000111.6L357 G358 T363 A364 I365L357-Y361 WeakPolarHBondContact O-CB 3.34Å; L357-Y361 PolarHBondContact O-N 2.89Å; G358-Y361 PolarHBondContact O-N 3.26Å; Y361-T363 VanDerWaalsContact C-N 3.28Å; Y361-T363 PolarHBondContact O-N 2.86Å; Y361-A364 PolarHBondContact O-N 3.4Å; Y361-I365 HydrophobicContact CD1-CG1 4.41Å; Y361-I365 HydrophobicContact CD2-CG1 4.12Å; Y361-I365 HydrophobicContact CE1-CG1 3.97Å; Y361-I365 HydrophobicContact CE2-CD1 3.87Å; Y361-I365 HydrophobicContact CE2-CG1 3.65Å; Y361-I365 HydrophobicContact CG-CG1 4.48Å; Y361-I365 WeakPolarHBondContact O-CG1 3.45Å; Y361-I365 PolarHBondContact O-N 2.88Å
362C91.7Very high85.8Confident16 Ų1670.4 Ų70.411%0.10837%0.369CS..Hα-helixtrans-65-33.6-179.3-81.20000112.4C322 G358 N359 I365 R366C322-C362 HydrophobicContact CB-CB 3.54Å; C322-C362 WeakPolarHBondContact CB-SG 3.46Å; C322-C362 WeakPolarHBondContact SG-CA 3.48Å; C322-C362 WeakPolarHBondContact SG-CB 3.27Å; C322-C362 CovalentContact SG-SG 2.06Å; C322-C362 PolarHBondContact SG-SG 2.78Å; G358-C362 PolarHBondContact O-N 2.93Å; N359-C362 PolarHBondContact O-N 3.06Å; C362-I365 PolarHBondContact O-N 3.49Å; C362-R366 WeakPolarHBondContact O-CB 3.48Å; C362-R366 WeakPolarHBondContact O-CG 3.34Å; C362-R366 PolarHBondContact O-N 2.92Å; C362-R366 PolarHBondContact O-NE 3.01Å
363T92.8Very high87Confident41 Ų4172.9 Ų72.925%0.25238%0.383SS..Hα-helixtrans-63.1-49171.9-58.90000111.1N359 L360 Y361 I365 R366 V367N359-T363 VanDerWaalsContact O-CB 3.3Å; N359-T363 WeakPolarHBondContact O-CB 3.42Å; N359-T363 PolarHBondContact O-N 3.46Å; N359-T363 PolarHBondContact O-OG1 2.9Å; L360-T363 PolarHBondContact O-N 3.33Å; Y361-T363 VanDerWaalsContact C-N 3.28Å; Y361-T363 PolarHBondContact O-N 2.86Å; T363-I365 VanDerWaalsContact C-N 3.34Å; T363-I365 PolarHBondContact O-N 2.89Å; T363-R366 PolarHBondContact O-N 3.3Å; T363-R366 PolarHBondContact OG1-NH2 3.02Å; T363-V367 WeakPolarHBondContact O-CG2 3.28Å; T363-V367 PolarHBondContact O-N 3.43Å
364A94.2Very high87.8Confident60 Ų6077.6 Ų77.650%0.49640%0.398SS..Hα-helixtrans-59.2-4317700000112.5L360 Y361 V367 M368L360-A364 WeakPolarHBondContact O-CB 3.36Å; L360-A364 PolarHBondContact O-N 3.34Å; Y361-A364 PolarHBondContact O-N 3.4Å; A364-V367 PolarHBondContact O-N 3.45Å; A364-M368 PolarHBondContact O-N 3.26Å
365I93.9Very high87.7Confident25 Ų2576.7 Ų76.713%0.12840%0.396CS..Hα-helixtrans-63.1-45.7176-67.3-63.7000111.4C322 Y361 C362 T363 V367 M368 L369C322-I365 HydrophobicContact CB-CG2 4.41Å; Y361-I365 HydrophobicContact CD1-CG1 4.41Å; Y361-I365 HydrophobicContact CD2-CG1 4.12Å; Y361-I365 HydrophobicContact CE1-CG1 3.97Å; Y361-I365 HydrophobicContact CE2-CD1 3.87Å; Y361-I365 HydrophobicContact CE2-CG1 3.65Å; Y361-I365 HydrophobicContact CG-CG1 4.48Å; Y361-I365 WeakPolarHBondContact O-CG1 3.45Å; Y361-I365 PolarHBondContact O-N 2.88Å; C362-I365 PolarHBondContact O-N 3.49Å; T363-I365 VanDerWaalsContact C-N 3.34Å; T363-I365 PolarHBondContact O-N 2.89Å; I365-V367 VanDerWaalsContact C-N 3.32Å; I365-V367 PolarHBondContact O-N 2.91Å; I365-M368 HydrophobicContact CD1-CE 4.1Å; I365-M368 PolarHBondContact O-N 2.92Å; I365-L369 HydrophobicContact CG2-CD1 3.54Å; I365-L369 HydrophobicContact CG2-CG 4.08Å; I365-L369 WeakPolarHBondContact O-CB 3.33Å; I365-L369 VanDerWaalsContact O-CG 3.3Å; I365-L369 WeakPolarHBondContact O-CG 3.38Å; I365-L369 PolarHBondContact O-N 3.29Å
366R94Very high87.2Confident13 Ų1378.2 Ų78.25%0.04939%0.391CS..Hα-helixtrans-63.2-39.1178.4-70.2179-64.6173.32.6111.8Y310 C322 I323 H326 C362 T363 L369 L370 A384 T386Y310-R366 PolarHBondContact OH-NH1 3.08Å; C322-R366 WeakPolarHBondContact O-CD 3.27Å; I323-R366 HydrophobicContact CD1-CG 3.91Å; H326-R366 PolarHBondContact CD2-NH1 3.13Å; H326-R366 PolarHBondContact NE2-NH1 2.98Å; C362-R366 WeakPolarHBondContact O-CB 3.48Å; C362-R366 WeakPolarHBondContact O-CG 3.34Å; C362-R366 PolarHBondContact O-N 2.92Å; C362-R366 PolarHBondContact O-NE 3.01Å; T363-R366 PolarHBondContact O-N 3.3Å; T363-R366 PolarHBondContact OG1-NH2 3.02Å; R366-L369 PolarHBondContact O-N 3.49Å; R366-L370 HydrophobicContact CB-CD1 4.39Å; R366-L370 VanDerWaalsContact O-CB 3.25Å; R366-L370 WeakPolarHBondContact O-CB 3.24Å; R366-L370 WeakPolarHBondContact O-CG 3.3Å; R366-L370 PolarHBondContact O-N 3.45Å; R366-A384 HydrophobicContact CB-CB 3.73Å; R366-A384 PolarHBondContact NH2-O 3.38Å; R366-T386 VanDerWaalsContact CZ-OXT 3.26Å; R366-T386 PolarHBondContact NH1-OXT 3.37Å; R366-T386 PolarHBondContact NH2-OXT 3.15Å; R366-T386 VanDerWaalsContact NH2-OXT 3.09Å
367V94.5Very high87Confident52 Ų5272 Ų7232%0.31537%0.365SS..Hα-helixtrans-59-49.2173.3171.70000110.1T363 A364 I365 L369 C371 A384 F385T363-V367 WeakPolarHBondContact O-CG2 3.28Å; T363-V367 PolarHBondContact O-N 3.43Å; A364-V367 PolarHBondContact O-N 3.45Å; I365-V367 VanDerWaalsContact C-N 3.32Å; I365-V367 PolarHBondContact O-N 2.91Å; V367-L369 VanDerWaalsContact C-N 3.31Å; V367-L369 PolarHBondContact O-N 3.36Å; V367-C371 HydrophobicContact CG1-CB 4.28Å; V367-C371 WeakPolarHBondContact O-CA 3.22Å; V367-C371 WeakPolarHBondContact O-CB 3.3Å; V367-C371 PolarHBondContact O-N 2.97Å; V367-A384 HydrophobicContact CB-CB 4.46Å; V367-A384 HydrophobicContact CG2-CB 3.81Å; V367-F385 HydrophobicContact CG2-CE1 3.71Å; V367-F385 HydrophobicContact CG2-CE2 4.41Å; V367-F385 HydrophobicContact CG2-CZ 3.65Å
368M93.6Very high87Confident120 Ų12065.6 Ų65.659%0.59133%0.332SS*.Hα-helixtrans-61.1-38.3178.4-175.6-17269.800112.9A364 I365A364-M368 PolarHBondContact O-N 3.26Å; I365-M368 HydrophobicContact CD1-CE 4.1Å; I365-M368 PolarHBondContact O-N 2.92Å
369L92.8Very high87.3Confident20 Ų2065.8 Ų65.811%0.10533%0.332CS..Hα-helixtrans-81.8-38.4-176.2-68.2177.8000113.2P318 H320 I323 I365 R366 V367 R372P318-L369 HydrophobicContact CB-CB 4.28Å; P318-L369 HydrophobicContact CB-CD1 4.03Å; P318-L369 HydrophobicContact CB-CD2 4.4Å; P318-L369 HydrophobicContact CB-CG 4.48Å; P318-L369 HydrophobicContact CG-CB 4.18Å; H320-L369 HydrophobicContact CB-CD1 3.73Å; I323-L369 HydrophobicContact CD1-CD1 4.48Å; I323-L369 HydrophobicContact CG1-CD1 4.12Å; I365-L369 HydrophobicContact CG2-CD1 3.54Å; I365-L369 HydrophobicContact CG2-CG 4.08Å; I365-L369 WeakPolarHBondContact O-CB 3.33Å; I365-L369 VanDerWaalsContact O-CG 3.3Å; I365-L369 WeakPolarHBondContact O-CG 3.38Å; I365-L369 PolarHBondContact O-N 3.29Å; R366-L369 PolarHBondContact O-N 3.49Å; V367-L369 VanDerWaalsContact C-N 3.31Å; V367-L369 PolarHBondContact O-N 3.36Å; L369-R372 PolarHBondContact O-NE 2.92Å
370L92.3Very high87.4Confident17 Ų1762.9 Ų62.99%0.08932%0.32CS..Hα-helixtrans-104.2-26-169.5-53.9-177.1000113.8P318 I323 R366 R372 Y379 A383P318-L370 HydrophobicContact CG-CD2 3.87Å; I323-L370 HydrophobicContact CD1-CD1 3.99Å; I323-L370 HydrophobicContact CD1-CD2 4.06Å; I323-L370 HydrophobicContact CD1-CG 4.11Å; R366-L370 HydrophobicContact CB-CD1 4.39Å; R366-L370 VanDerWaalsContact O-CB 3.25Å; R366-L370 WeakPolarHBondContact O-CB 3.24Å; R366-L370 WeakPolarHBondContact O-CG 3.3Å; R366-L370 PolarHBondContact O-N 3.45Å; L370-R372 VanDerWaalsContact C-N 3.28Å; L370-R372 PolarHBondContact O-N 2.94Å; L370-Y379 HydrophobicContact CD1-CD2 4.4Å; L370-Y379 HydrophobicContact CD2-CD2 3.99Å; L370-A383 HydrophobicContact CD1-CB 3.86Å
371C91.7Very high87.4Confident40 Ų4060.6 Ų60.627%0.2731%0.312SS..  trans-95.248.2179.8-560000111.7V367 C381V367-C371 HydrophobicContact CG1-CB 4.28Å; V367-C371 WeakPolarHBondContact O-CA 3.22Å; V367-C371 WeakPolarHBondContact O-CB 3.3Å; V367-C371 PolarHBondContact O-N 2.97Å; C371-C381 HydrophobicContact CB-CB 3.87Å; C371-C381 WeakPolarHBondContact CB-SG 3.49Å; C371-C381 VanDerWaalsContact SG-CA 3.54Å; C371-C381 WeakPolarHBondContact SG-CB 3.41Å; C371-C381 CovalentContact SG-SG 2.04Å; C371-C381 PolarHBondContact SG-SG 3.42Å
372R86.7Confident87.3Confident105 Ų10559.2 Ų59.240%0.39632%0.316SS..  trans-75.2150.1176.2-65.6-167-178.7-146.5-2.5110.7L369 L370 Y374L369-R372 PolarHBondContact O-NE 2.92Å; L370-R372 VanDerWaalsContact C-N 3.28Å; L370-R372 PolarHBondContact O-N 2.94Å; R372-Y374 HydrophobicContact CB-CD1 4.31Å; R372-Y374 HydrophobicContact CB-CE1 4.15Å; R372-Y374 WeakPolarHBondContact CD-OH 3.48Å; R372-Y374 PolarHBondContact NH1-OH 3.45Å; R372-Y374 PolarHBondContact O-N 3.35Å
373P77.3Confident87.3Confident139 Ų13958.5 Ų58.590%0.90331%0.31SS*.SBendtrans-69-14.2-179.727.7-34.8000113.3
374Y72.4Confident87.3Confident119 Ų11956.5 Ų56.547%0.46730%0.298SS..SBendtrans-109.4138.3174.558.9-90.6000110.3R372 Q376R372-Y374 HydrophobicContact CB-CD1 4.31Å; R372-Y374 HydrophobicContact CB-CE1 4.15Å; R372-Y374 WeakPolarHBondContact CD-OH 3.48Å; R372-Y374 PolarHBondContact NH1-OH 3.45Å; R372-Y374 PolarHBondContact O-N 3.35Å; Y374-Q376 HydrophobicContact CD2-CG 3.93Å; Y374-Q376 HydrophobicContact CE2-CG 3.65Å; Y374-Q376 PolarHBondContact O-N 3.44Å
375Y65.7Low87Confident171 Ų17160.3 Ų60.367%0.67130%0.304SS*.  trans-67.2116.1-177.8-175.3-104.2000110.6N377Y375-N377 HydrophobicContact CD1-CB 4.24Å; Y375-N377 HydrophobicContact CE1-CB 3.51Å; Y375-N377 VanDerWaalsContact CE1-CG 3.48Å; Y375-N377 PolarHBondContact OH-OD1 2.96Å
376Q70Confident86.4Confident76 Ų7663.5 Ų63.536%0.35533%0.325SS..  trans-103.6122.2163.3-68.9-173.1-33.400107.4Y374 T378Y374-Q376 HydrophobicContact CD2-CG 3.93Å; Y374-Q376 HydrophobicContact CE2-CG 3.65Å; Y374-Q376 PolarHBondContact O-N 3.44Å; Q376-T378 HydrophobicContact CB-CG2 4.21Å; Q376-T378 PolarHBondContact O-N 2.91Å
377N80.4Confident86Confident35 Ų3566 Ų6619%0.18734%0.338CS..SBendtrans-77.548.8-176.2-155.1-2.4000112.1H230 G313 E314 G315 Y375H230-N377 PolarHBondContact NE2-OD1 3.19Å; G313-N377 CarbonylContact C-O 3.53Å; G313-N377 VanDerWaalsContact CA-O 3.22Å; G313-N377 WeakPolarHBondContact CA-O 3.24Å; G313-N377 PolarHBondContact N-O 3.09Å; E314-N377 HydrophobicContact CB-CB 4.48Å; E314-N377 PolarHBondContact N-O 3.04Å; E314-N377 PolarHBondContact OE1-ND2 3.22Å; E314-N377 VanDerWaalsContact OE1-ND2 3.11Å; E314-N377 PolarHBondContact OE2-ND2 2.8Å; E314-N377 PolarHBondContact OE2-OD1 3.38Å; G315-N377 WeakPolarHBondContact CA-O 3.26Å; G315-N377 PolarHBondContact N-O 3.14Å; Y375-N377 HydrophobicContact CD1-CB 4.24Å; Y375-N377 HydrophobicContact CE1-CB 3.51Å; Y375-N377 VanDerWaalsContact CE1-CG 3.48Å; Y375-N377 PolarHBondContact OH-OD1 2.96Å
378T87.8Confident85.6Confident3 Ų366.7 Ų66.72%0.01834%0.34CS..SBendtrans-109.1-94.5177.7-171.90000109S312 G313 G315 K316 A317 Q376S312-T378 WeakPolarHBondContact CA-O 3.31Å; G313-T378 PolarHBondContact N-O 2.92Å; G313-T378 VanDerWaalsContact N-O 3.09Å; G315-T378 VanDerWaalsContact O-CB 3.31Å; G315-T378 WeakPolarHBondContact O-CB 3.28Å; G315-T378 PolarHBondContact O-OG1 3Å; K316-T378 VanDerWaalsContact C-OG1 3.28Å; K316-T378 WeakPolarHBondContact O-CB 3.48Å; K316-T378 PolarHBondContact O-OG1 3.22Å; A317-T378 WeakPolarHBondContact CA-OG1 3.33Å; A317-T378 PolarHBondContact N-OG1 3.29Å; Q376-T378 HydrophobicContact CB-CG2 4.21Å; Q376-T378 PolarHBondContact O-N 2.91Å
379Y92.2Very high85.1Confident8 Ų863.8 Ų63.83%0.03133%0.326CS..SBendtrans-106.7147.7172.4-49.8-47000110.9V309 Y310 A317 I323 M327 T329 L370V309-Y379 WeakPolarHBondContact O-CD1 3.2Å; Y310-Y379 WeakPolarHBondContact O-CE1 3.45Å; A317-Y379 HydrophobicContact CB-CD2 4.47Å; A317-Y379 HydrophobicContact CB-CE2 3.45Å; A317-Y379 VanDerWaalsContact CB-CE2 3.45Å; A317-Y379 WeakPolarHBondContact CB-OH 3.25Å; I323-Y379 HydrophobicContact CG2-CD2 4.44Å; I323-Y379 HydrophobicContact CG2-CE2 3.72Å; M327-Y379 WeakPolarHBondContact CG-OH 3.49Å; M327-Y379 PolarHBondContact SD-OH 3.16Å; M327-Y379 VanDerWaalsContact SD-OH 3.42Å; T329-Y379 WeakPolarHBondContact O-CE1 3.43Å; T329-Y379 PolarHBondContact O-OH 3.25Å; L370-Y379 HydrophobicContact CD1-CD2 4.4Å; L370-Y379 HydrophobicContact CD2-CD2 3.99Å
380S88.9Confident84.7Confident40 Ų4066.4 Ų66.428%0.2834%0.339SS..  trans-69152.4172.358.20000111.6T382 A383S380-T382 WeakPolarHBondContact CB-OG1 3.32Å; S380-T382 PolarHBondContact O-N 2.92Å; S380-T382 VanDerWaalsContact O-N 3.14Å; S380-T382 PolarHBondContact OG-OG1 3.16Å; S380-A383 WeakPolarHBondContact O-CB 3.47Å; S380-A383 PolarHBondContact O-N 3.14Å
381C90.7Very high84.2Confident54 Ų5469.4 Ų69.437%0.36535%0.354SS..G310 helixtrans-56.2-29.2172.7170.90000112.5C371 A383 A384C371-C381 HydrophobicContact CB-CB 3.87Å; C371-C381 WeakPolarHBondContact CB-SG 3.49Å; C371-C381 VanDerWaalsContact SG-CA 3.54Å; C371-C381 WeakPolarHBondContact SG-CB 3.41Å; C371-C381 CovalentContact SG-SG 2.04Å; C371-C381 PolarHBondContact SG-SG 3.42Å; C381-A383 PolarHBondContact O-N 3.2Å; C381-A384 VanDerWaalsContact O-CB 3.27Å; C381-A384 WeakPolarHBondContact O-CB 3.5Å; C381-A384 PolarHBondContact O-N 3.43Å
382T90.8Very high83.7Confident90 Ų9071.4 Ų71.455%0.55236%0.36SS*.G310 helixtrans-60.1-25.6174.945.10000113.4S380 A384 F385S380-T382 WeakPolarHBondContact CB-OG1 3.32Å; S380-T382 PolarHBondContact O-N 2.92Å; S380-T382 VanDerWaalsContact O-N 3.14Å; S380-T382 PolarHBondContact OG-OG1 3.16Å; T382-A384 PolarHBondContact O-N 3.04Å; T382-F385 PolarHBondContact O-N 2.9Å
383A91.7Very high83.5Confident0 Ų069 Ų690%036%0.357CS..G310 helixtrans-62.5-23173.900000112.8V309 Y310 L370 S380 C381 F385 T386V309-A383 HydrophobicContact CB-CB 3.89Å; V309-A383 HydrophobicContact CG2-CB 4.04Å; Y310-A383 HydrophobicContact CD1-CB 4.45Å; Y310-A383 HydrophobicContact CE1-CB 3.97Å; Y310-A383 PolarHBondContact OH-O 3.3Å; L370-A383 HydrophobicContact CD1-CB 3.86Å; S380-A383 WeakPolarHBondContact O-CB 3.47Å; S380-A383 PolarHBondContact O-N 3.14Å; C381-A383 PolarHBondContact O-N 3.2Å; A383-F385 PolarHBondContact O-N 2.92Å; A383-T386 PolarHBondContact O-OG1 3.44Å; A383-T386 VanDerWaalsContact O-OG1 3.04Å
384A91Very high84Confident0 Ų063.6 Ų63.60%032%0.315CS..G310 helixtrans-67.5-16.9179.600000114.1R366 V367 C381 T382R366-A384 HydrophobicContact CB-CB 3.73Å; R366-A384 PolarHBondContact NH2-O 3.38Å; V367-A384 HydrophobicContact CB-CB 4.46Å; V367-A384 HydrophobicContact CG2-CB 3.81Å; C381-A384 VanDerWaalsContact O-CB 3.27Å; C381-A384 WeakPolarHBondContact O-CB 3.5Å; C381-A384 PolarHBondContact O-N 3.43Å; T382-A384 PolarHBondContact O-N 3.04Å
385F89.3Confident84.9Confident140 Ų14059 Ų5961%0.61430%0.303SS*.G310 helixtrans-114.22.4-171.6-55.9-77.2000114.3V367 T382 A383V367-F385 HydrophobicContact CG2-CE1 3.71Å; V367-F385 HydrophobicContact CG2-CE2 4.41Å; V367-F385 HydrophobicContact CG2-CZ 3.65Å; T382-F385 PolarHBondContact O-N 2.9Å; A383-F385 PolarHBondContact O-N 2.92Å
386T80.6Confident86.7Confident91 Ų9148.8 Ų48.856%0.55827%0.269SS*.  trans-840169.859.70000110.1V309 Y310 R366 A383V309-T386 HydrophobicContact CG2-CG2 3.98Å; Y310-T386 WeakPolarHBondContact CE2-OG1 3.36Å; Y310-T386 PolarHBondContact OH-OG1 2.89Å; R366-T386 VanDerWaalsContact CZ-OXT 3.26Å; R366-T386 PolarHBondContact NH1-OXT 3.37Å; R366-T386 PolarHBondContact NH2-OXT 3.15Å; R366-T386 VanDerWaalsContact NH2-OXT 3.09Å; A383-T386 PolarHBondContact O-OG1 3.44Å; A383-T386 VanDerWaalsContact O-OG1 3.04Å

Retrieved 386 of 386 residues in 519.9 ms (Link to these results)

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