A0A077ZGD1_TRITR Loading...

Fucosyltransferase

AlphaFold DB , UniProt , Accession A0A077ZGD1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 381 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M71.9Confident81.6Confident214 Ų214123.7 Ų123.7100%1.05465%0.645SS**  0-43.10-68.2-151.4-63.300112.7R3 L4 A5M1-R3 PolarHBondContact O-N 2.99Å; M1-L4 PolarHBondContact O-N 3.01Å; M1-L4 VanDerWaalsContact O-N 3.11Å; M1-A5 PolarHBondContact O-N 3.28Å
2E79.8Confident81.8Confident164 Ų164116.1 Ų116.177%0.76662%0.619SS**Hα-helixtrans-53.9-44.6-179.1-73.3178.8149.400115.1L4 A5 I6E2-L4 PolarHBondContact O-N 3.08Å; E2-A5 PolarHBondContact O-N 3.23Å; E2-I6 WeakPolarHBondContact O-CG1 3.49Å; E2-I6 PolarHBondContact O-N 3.19Å; E2-I6 VanDerWaalsContact O-N 3.12Å
3R79.3Confident81.8Confident226 Ų226112.5 Ų112.585%0.85361%0.608SS**Hα-helixtrans-60.4-32.2179-68.6-171.3-179.8-1630.4113.5M1 L7M1-R3 PolarHBondContact O-N 2.99Å; R3-L7 PolarHBondContact O-N 3.34Å
4L81.6Confident81.9Confident116 Ų116113.4 Ų113.461%0.60761%0.612SS**Hα-helixtrans-73.8-38.4178.7-168.671.4000111.2M1 E2 L7 L8M1-L4 PolarHBondContact O-N 3.01Å; M1-L4 VanDerWaalsContact O-N 3.11Å; E2-L4 PolarHBondContact O-N 3.08Å; L4-L7 PolarHBondContact O-N 2.66Å; L4-L8 HydrophobicContact CG-CD1 4.31Å; L4-L8 WeakPolarHBondContact O-CG 3.43Å; L4-L8 PolarHBondContact O-N 3.29Å
5A81.5Confident82.1Confident65 Ų65111 Ų11154%0.53760%0.602SS.*Hα-helixtrans-64.2-41.4176.600000111.9M1 E2 L8 G9M1-A5 PolarHBondContact O-N 3.28Å; E2-A5 PolarHBondContact O-N 3.23Å; A5-L8 PolarHBondContact O-N 2.97Å; A5-G9 PolarHBondContact O-N 3.08Å
6I83.9Confident82.2Confident112 Ų112110.3 Ų110.357%0.57460%0.597SS**Hα-helixtrans-63.1-44.1175.4-63.4168.5000110.7E2 G9 L10E2-I6 WeakPolarHBondContact O-CG1 3.49Å; E2-I6 PolarHBondContact O-N 3.19Å; E2-I6 VanDerWaalsContact O-N 3.12Å; I6-G9 PolarHBondContact O-N 3.01Å; I6-L10 HydrophobicContact CG2-CD1 4.09Å; I6-L10 WeakPolarHBondContact O-CG 3.37Å; I6-L10 PolarHBondContact O-N 2.9Å
7L84.1Confident82.2Confident108 Ų108108.8 Ų108.857%0.56559%0.592SS**Hα-helixtrans-63.2-44.5179.3-155.288.1000111.7R3 L4 G9 L10 V11R3-L7 PolarHBondContact O-N 3.34Å; L4-L7 PolarHBondContact O-N 2.66Å; L7-G9 VanDerWaalsContact C-N 3.33Å; L7-G9 PolarHBondContact O-N 3.43Å; L7-L10 PolarHBondContact O-N 3.29Å; L7-V11 WeakPolarHBondContact O-CG2 3.41Å; L7-V11 PolarHBondContact O-N 3.49Å
8L83.8Confident82Confident117 Ų117107.1 Ų107.161%0.61359%0.586SS**Hα-helixtrans-62.6-39.1175.9-73.1168.3000112L4 A5 G12L4-L8 HydrophobicContact CG-CD1 4.31Å; L4-L8 WeakPolarHBondContact O-CG 3.43Å; L4-L8 PolarHBondContact O-N 3.29Å; A5-L8 PolarHBondContact O-N 2.97Å; L8-G12 PolarHBondContact O-N 3.15Å
9G83.8Confident81.9Confident40 Ų40107.3 Ų107.341%0.41259%0.585SS.*Hα-helixtrans-63.4-41.4174.700000113A5 I6 L7 S13A5-G9 PolarHBondContact O-N 3.08Å; I6-G9 PolarHBondContact O-N 3.01Å; L7-G9 VanDerWaalsContact C-N 3.33Å; L7-G9 PolarHBondContact O-N 3.43Å; G9-S13 WeakPolarHBondContact O-CB 3.25Å; G9-S13 PolarHBondContact O-N 3.41Å; G9-S13 PolarHBondContact O-OG 3.25Å
10L84.4Confident81.7Confident114 Ų114106.3 Ų106.360%0.59758%0.578SS**Hα-helixtrans-67.5-44.6177.4-74169000111.9I6 L7 S13 L14I6-L10 HydrophobicContact CG2-CD1 4.09Å; I6-L10 WeakPolarHBondContact O-CG 3.37Å; I6-L10 PolarHBondContact O-N 2.9Å; L7-L10 PolarHBondContact O-N 3.29Å; L10-S13 PolarHBondContact O-N 3.14Å; L10-L14 PolarHBondContact O-N 3.12Å
11V83.8Confident81.4Confident85 Ų85106.6 Ų106.652%0.51558%0.577SS.*Hα-helixtrans-62.8-45.2176.3174.20000110.7L7 S13 L14 V15L7-V11 WeakPolarHBondContact O-CG2 3.41Å; L7-V11 PolarHBondContact O-N 3.49Å; V11-S13 VanDerWaalsContact C-N 3.33Å; V11-S13 PolarHBondContact O-N 2.61Å; V11-L14 PolarHBondContact O-N 3.49Å; V11-V15 WeakPolarHBondContact O-CG2 3Å; V11-V15 PolarHBondContact O-N 3.15Å
12G84.2Confident81.6Confident32 Ų32100.1 Ų100.133%0.3355%0.55SS..Hα-helixtrans-59.9-41.9176.500000112.7L8 V15 I16L8-G12 PolarHBondContact O-N 3.15Å; G12-V15 PolarHBondContact O-N 2.88Å; G12-I16 VanDerWaalsContact O-CG1 3.3Å; G12-I16 WeakPolarHBondContact O-CG1 3.33Å; G12-I16 PolarHBondContact O-N 2.91Å
13S81.4Confident81.3Confident69 Ų6994.9 Ų94.948%0.48353%0.534SS..Hα-helixtrans-63.1-42.6175.9-58.10000112G9 L10 V11 V15 I16 V17G9-S13 WeakPolarHBondContact O-CB 3.25Å; G9-S13 PolarHBondContact O-N 3.41Å; G9-S13 PolarHBondContact O-OG 3.25Å; L10-S13 PolarHBondContact O-N 3.14Å; V11-S13 VanDerWaalsContact C-N 3.33Å; V11-S13 PolarHBondContact O-N 2.61Å; S13-V15 PolarHBondContact O-N 3.4Å; S13-I16 PolarHBondContact O-N 2.91Å; S13-V17 VanDerWaalsContact O-CG2 3.32Å; S13-V17 WeakPolarHBondContact O-CG2 3.29Å; S13-V17 PolarHBondContact O-N 2.81Å
14L83.3Confident80.9Confident125 Ų12590.7 Ų90.765%0.65452%0.522SS*.Hα-helixtrans-63.8-41.7178.5-150.188.3000111.8L10 V11 V17 T18L10-L14 PolarHBondContact O-N 3.12Å; V11-L14 PolarHBondContact O-N 3.49Å; L14-V17 PolarHBondContact O-N 2.88Å; L14-T18 WeakPolarHBondContact O-CB 3.36Å; L14-T18 PolarHBondContact O-N 2Å; L14-T18 PolarHBondContact O-OG1 2.99Å
15V84.7Confident80.3Confident78 Ų7889.5 Ų89.547%0.47352%0.517SS..Hα-helixtrans-63.4-43.8176.8171.90000111.2V11 G12 S13 T18 L19V11-V15 WeakPolarHBondContact O-CG2 3Å; V11-V15 PolarHBondContact O-N 3.15Å; G12-V15 PolarHBondContact O-N 2.88Å; S13-V15 PolarHBondContact O-N 3.4Å; V15-T18 PolarHBondContact O-N 2.61Å; V15-L19 HydrophobicContact CG1-CD1 3.92Å; V15-L19 WeakPolarHBondContact O-CB 3.29Å; V15-L19 PolarHBondContact O-N 2.9Å
16I84Confident79.5Confident100 Ų10092.3 Ų92.351%0.51352%0.517SS..Hα-helixtrans-62.9-45.4177.1-69.1166.1000111G12 S13 T18 L19 I20G12-I16 VanDerWaalsContact O-CG1 3.3Å; G12-I16 WeakPolarHBondContact O-CG1 3.33Å; G12-I16 PolarHBondContact O-N 2.91Å; S13-I16 PolarHBondContact O-N 2.91Å; I16-T18 VanDerWaalsContact C-N 3.31Å; I16-T18 PolarHBondContact O-N 3.44Å; I16-L19 PolarHBondContact O-N 2.93Å; I16-I20 HydrophobicContact CG2-CD1 3.69Å; I16-I20 HydrophobicContact CG2-CG1 4.39Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.41Å; I16-I20 PolarHBondContact O-N 3.44Å
17V81.7Confident78.4Confident84 Ų8491 Ų9151%0.50951%0.514SS..Hα-helixtrans-61.5-41.6177.4171.70000110.9S13 L14 I20 M21S13-V17 VanDerWaalsContact O-CG2 3.32Å; S13-V17 WeakPolarHBondContact O-CG2 3.29Å; S13-V17 PolarHBondContact O-N 2.81Å; L14-V17 PolarHBondContact O-N 2.88Å; V17-I20 PolarHBondContact O-N 2.86Å; V17-M21 HydrophobicContact CG1-CG 4.32Å; V17-M21 WeakPolarHBondContact O-CB 3.44Å; V17-M21 WeakPolarHBondContact O-CG 3.4Å; V17-M21 PolarHBondContact O-N 3.29Å
18T78.9Confident77.2Confident79 Ų7988.7 Ų88.749%0.48551%0.507SS..Hα-helixtrans-64.9-42.2178.1-46.40000111.3L14 V15 I16 M21 T22L14-T18 WeakPolarHBondContact O-CB 3.36Å; L14-T18 PolarHBondContact O-N 2Å; L14-T18 PolarHBondContact O-OG1 2.99Å; V15-T18 PolarHBondContact O-N 2.61Å; I16-T18 VanDerWaalsContact C-N 3.31Å; I16-T18 PolarHBondContact O-N 3.44Å; T18-M21 PolarHBondContact O-N 3.02Å; T18-T22 WeakPolarHBondContact O-CG2 3.45Å; T18-T22 PolarHBondContact O-N 3.32Å; T18-T22 PolarHBondContact O-OG1 3.47Å
19L80.7Confident75.7Confident110 Ų11088.5 Ų88.558%0.57651%0.506SS*.Hα-helixtrans-64.4-38174.9-83.4161000113.2V15 I16 T22 A23V15-L19 HydrophobicContact CG1-CD1 3.92Å; V15-L19 WeakPolarHBondContact O-CB 3.29Å; V15-L19 PolarHBondContact O-N 2.9Å; I16-L19 PolarHBondContact O-N 2.93Å; L19-T22 WeakPolarHBondContact CA-OG1 3.5Å; L19-T22 PolarHBondContact O-OG1 3.06Å; L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 2.89Å; L19-A23 PolarHBondContact O-N 3.18Å
20I78.4Confident74.2Confident87 Ų8791.2 Ų91.245%0.44651%0.508SS..Hα-helixtrans-69-40.8176-68.3167.3000110.4I16 V17 A23 K24I16-I20 HydrophobicContact CG2-CD1 3.69Å; I16-I20 HydrophobicContact CG2-CG1 4.39Å; I16-I20 VanDerWaalsContact O-CG1 3.28Å; I16-I20 WeakPolarHBondContact O-CG1 3.41Å; I16-I20 PolarHBondContact O-N 3.44Å; V17-I20 PolarHBondContact O-N 2.86Å; I20-A23 PolarHBondContact O-N 2.88Å; I20-K24 HydrophobicContact CG2-CD 4.37Å; I20-K24 WeakPolarHBondContact O-CB 3.27Å; I20-K24 WeakPolarHBondContact O-CG 3.32Å; I20-K24 PolarHBondContact O-N 3.14Å
21M74.5Confident72.6Confident114 Ų11495.9 Ų95.956%0.56252%0.517SS*.Hα-helixtrans-62.8-47.5175.8-69.5-93.5-77.400110.5V17 T18 A23 K24 D25V17-M21 HydrophobicContact CG1-CG 4.32Å; V17-M21 WeakPolarHBondContact O-CB 3.44Å; V17-M21 WeakPolarHBondContact O-CG 3.4Å; V17-M21 PolarHBondContact O-N 3.29Å; T18-M21 PolarHBondContact O-N 3.02Å; M21-A23 PolarHBondContact O-N 3.43Å; M21-K24 PolarHBondContact O-N 2.98Å; M21-D25 WeakPolarHBondContact O-CB 3.33Å; M21-D25 VanDerWaalsContact O-CG 3.31Å; M21-D25 PolarHBondContact O-N 3.48Å
22T77Confident70.9Confident78 Ų7898 Ų9848%0.47953%0.525SS..Hα-helixtrans-65.1-36.5177.2570000112.6T18 L19 D25 F26T18-T22 WeakPolarHBondContact O-CG2 3.45Å; T18-T22 PolarHBondContact O-N 3.32Å; T18-T22 PolarHBondContact O-OG1 3.47Å; L19-T22 WeakPolarHBondContact CA-OG1 3.5Å; L19-T22 PolarHBondContact O-OG1 3.06Å; T22-D25 PolarHBondContact O-N 2.86Å; T22-F26 WeakPolarHBondContact O-CB 3.37Å; T22-F26 PolarHBondContact O-N 3.26Å
23A72.9Confident69.1Low53 Ų53102.4 Ų102.444%0.43854%0.537SS..Hα-helixtrans-66.8-38.9173.500000112.5L19 I20 M21 T27L19-A23 VanDerWaalsContact O-CB 3.29Å; L19-A23 WeakPolarHBondContact O-CB 2.89Å; L19-A23 PolarHBondContact O-N 3.18Å; I20-A23 PolarHBondContact O-N 2.88Å; M21-A23 PolarHBondContact O-N 3.43Å; A23-T27 WeakPolarHBondContact O-CB 3.18Å; A23-T27 VanDerWaalsContact O-CG2 3.28Å; A23-T27 WeakPolarHBondContact O-CG2 2.95Å; A23-T27 PolarHBondContact O-N 3.29Å; A23-T27 PolarHBondContact O-OG1 3.37Å
24K71Confident67.4Low138 Ų138109.2 Ų109.260%0.655%0.552SS**Hα-helixtrans-67.4-42.8173.8-79.4-175.8177.8-177.90112I20 M21 F26 T27 S28I20-K24 HydrophobicContact CG2-CD 4.37Å; I20-K24 WeakPolarHBondContact O-CB 3.27Å; I20-K24 WeakPolarHBondContact O-CG 3.32Å; I20-K24 PolarHBondContact O-N 3.14Å; M21-K24 PolarHBondContact O-N 2.98Å; K24-F26 VanDerWaalsContact C-N 3.35Å; K24-T27 WeakPolarHBondContact CA-OG1 3.26Å; K24-T27 PolarHBondContact O-N 3.41Å; K24-T27 PolarHBondContact O-OG1 2.93Å; K24-S28 VanDerWaalsContact O-CB 3.22Å; K24-S28 WeakPolarHBondContact O-CB 3.45Å; K24-S28 PolarHBondContact O-N 3.47Å
25D68.5Low66.1Low92 Ų92112.6 Ų112.649%0.49256%0.562SS.*Hα-helixtrans-66-40.6176.3-69.8-22.1000110.6M21 T22 S28 L29M21-D25 WeakPolarHBondContact O-CB 3.33Å; M21-D25 VanDerWaalsContact O-CG 3.31Å; M21-D25 PolarHBondContact O-N 3.48Å; T22-D25 PolarHBondContact O-N 2.86Å; D25-S28 WeakPolarHBondContact O-CB 3.31Å; D25-S28 PolarHBondContact O-N 3.29Å; D25-L29 WeakPolarHBondContact O-CB 3.38Å; D25-L29 WeakPolarHBondContact O-CD1 3.02Å; D25-L29 PolarHBondContact O-N 3.06Å
26F65.5Low64.9Low124 Ų124114.6 Ų114.654%0.54457%0.574SS.*Hα-helixtrans-63.9-43.5175.5-169.8-94.8000112.2T22 K24 L29 H30T22-F26 WeakPolarHBondContact O-CB 3.37Å; T22-F26 PolarHBondContact O-N 3.26Å; K24-F26 VanDerWaalsContact C-N 3.35Å; F26-L29 PolarHBondContact O-N 2.03Å; F26-H30 AromaticContact CE1-CD2 3.76Å; F26-H30 AromaticContact CE1-CE1 3.95Å; F26-H30 AromaticContact CE1-NE2 3.49Å; F26-H30 WeakPolarHBondContact CE1-NE2 3.02Å; F26-H30 AromaticContact CZ-CE1 3.72Å; F26-H30 AromaticContact CZ-NE2 3.58Å; F26-H30 WeakPolarHBondContact O-CB 3.49Å; F26-H30 PolarHBondContact O-N 3.26Å
27T59.9Low64.6Low84 Ų84115.7 Ų115.752%0.51558%0.575SS.*Hα-helixtrans-68.7-32.4174.450.80000112.7A23 K24 R31A23-T27 WeakPolarHBondContact O-CB 3.18Å; A23-T27 VanDerWaalsContact O-CG2 3.28Å; A23-T27 WeakPolarHBondContact O-CG2 2.95Å; A23-T27 PolarHBondContact O-N 3.29Å; A23-T27 PolarHBondContact O-OG1 3.37Å; K24-T27 WeakPolarHBondContact CA-OG1 3.26Å; K24-T27 PolarHBondContact O-N 3.41Å; K24-T27 PolarHBondContact O-OG1 2.93Å; T27-R31 PolarHBondContact O-N 3.46Å
28S58Low64.8Low59 Ų59115.2 Ų115.241%0.41357%0.567SS.*Hα-helixtrans-67.8-46.3173.1-171.50000111.3K24 D25 H30 R31 I32K24-S28 VanDerWaalsContact O-CB 3.22Å; K24-S28 WeakPolarHBondContact O-CB 3.45Å; K24-S28 PolarHBondContact O-N 3.47Å; D25-S28 WeakPolarHBondContact O-CB 3.31Å; D25-S28 PolarHBondContact O-N 3.29Å; S28-H30 VanDerWaalsContact C-N 3.32Å; S28-H30 PolarHBondContact O-N 3.49Å; S28-R31 WeakPolarHBondContact O-CB 3.34Å; S28-R31 PolarHBondContact O-N 3.36Å; S28-I32 VanDerWaalsContact O-CG1 3.31Å; S28-I32 WeakPolarHBondContact O-CG1 3.23Å; S28-I32 PolarHBondContact O-N 2.99Å
29L54.2Low65.5Low113 Ų113113.4 Ų113.459%0.59256%0.557SS**Hα-helixtrans-58.9-41172.6-91.3144.3000111.8D25 F26 I32 Q33D25-L29 WeakPolarHBondContact O-CB 3.38Å; D25-L29 WeakPolarHBondContact O-CD1 3.02Å; D25-L29 PolarHBondContact O-N 3.06Å; F26-L29 PolarHBondContact O-N 2.03Å; L29-I32 PolarHBondContact O-N 3.39Å; L29-Q33 PolarHBondContact O-N 2.98Å
30H51.3Low66.2Low98 Ų98108.2 Ų108.245%0.45453%0.53SS..Hα-helixtrans-69.3-30.5172.7-85.910.1000114F26 S28F26-H30 AromaticContact CE1-CD2 3.76Å; F26-H30 AromaticContact CE1-CE1 3.95Å; F26-H30 AromaticContact CE1-NE2 3.49Å; F26-H30 WeakPolarHBondContact CE1-NE2 3.02Å; F26-H30 AromaticContact CZ-CE1 3.72Å; F26-H30 AromaticContact CZ-NE2 3.58Å; F26-H30 WeakPolarHBondContact O-CB 3.49Å; F26-H30 PolarHBondContact O-N 3.26Å; S28-H30 VanDerWaalsContact C-N 3.32Å; S28-H30 PolarHBondContact O-N 3.49Å
31R49.9Very low67Low211 Ų211104.5 Ų104.580%0.79651%0.51SS*.Hα-helixtrans-68.8-36.1171.8-99.1-173.4-166.8-155.73.2112.7T27 S28 Q33T27-R31 PolarHBondContact O-N 3.46Å; S28-R31 WeakPolarHBondContact O-CB 3.34Å; S28-R31 PolarHBondContact O-N 3.36Å; R31-Q33 VanDerWaalsContact C-N 3.28Å; R31-Q33 PolarHBondContact O-N 3.43Å
32I48.4Very low68Low131 Ų13199.5 Ų99.567%0.67249%0.486SS*.Hα-helixtrans-71.1-27.2-179.9-65.3164.3000111S28 L29 W34S28-I32 VanDerWaalsContact O-CG1 3.31Å; S28-I32 WeakPolarHBondContact O-CG1 3.23Å; S28-I32 PolarHBondContact O-N 2.99Å; L29-I32 PolarHBondContact O-N 3.39Å; I32-W34 PolarHBondContact O-N 3.19Å
33Q46.9Very low68.8Low124 Ų12499.8 Ų99.858%0.57948%0.482SS*.THydrogen-bonded Turntrans-83.30.6-172.6-155.2170.3-9.100116.1L29 R31L29-Q33 PolarHBondContact O-N 2.98Å; R31-Q33 VanDerWaalsContact C-N 3.28Å; R31-Q33 PolarHBondContact O-N 3.43Å
34W47Very low69.8Low211 Ų211100.7 Ų100.780%0.79948%0.48SS*.THydrogen-bonded Turntrans-13137.2-175.8-69.689.9000116.4I32I32-W34 PolarHBondContact O-N 3.19Å
35F54.6Low70.8Confident196 Ų19695 Ų9586%0.8646%0.458SS*.  trans-110.238.7153.3-73.3-77.3000111.3K37F35-K37 PolarHBondContact O-N 2.85Å
36V60.2Low71.7Confident121 Ų12194.2 Ų94.273%0.73346%0.459SS*.  trans-67.5103.6164.6-176.30000106.3E38V36-E38 PolarHBondContact O-N 3.05Å
37K76.7Confident72.6Confident123 Ų12394.3 Ų94.354%0.53547%0.465SS..  trans-54.7124.9172.9-169.7174.8-174.6173.10107.4F35 E343F35-K37 PolarHBondContact O-N 2.85Å; K37-E343 IonicContact NZ-OE1 2.67Å; K37-E343 PolarHBondContact NZ-OE1 2.91Å
38E86.5Confident74.2Confident73 Ų7391.9 Ų91.934%0.34145%0.451SS..  trans-55.5137.1177.3-69.7-168.1170.700109.4V36 I40 E53 R56V36-E38 PolarHBondContact O-N 3.05Å; E38-I40 HydrophobicContact CB-CG2 4.42Å; E38-I40 PolarHBondContact O-N 2.95Å; E38-E53 HydrophobicContact CB-CB 4.41Å; E38-E53 HydrophobicContact CB-CG 4.4Å; E38-R56 IonicContact OE1-CZ 2.79Å; E38-R56 IonicContact OE1-NE 3.38Å; E38-R56 IonicContact OE1-NH1 3.08Å; E38-R56 IonicContact OE1-NH2 2.9Å; E38-R56 IonicContact OE2-NE 3.44Å
39P92.6Very high76Confident42 Ų4290.1 Ų90.127%0.27344%0.437SS..  trans-73.898.2-178.529.7-34000110D44 A45 R50 E53P39-D44 HydrophobicContact CB-CB 3.54Å; P39-A45 HydrophobicContact CB-CB 3.69Å; P39-A45 HydrophobicContact CG-CB 4.13Å; P39-R50 WeakPolarHBondContact O-CG 3.29Å; P39-E53 HydrophobicContact CG-CG 4.34Å
40I95.5Very high78.1Confident1 Ų184.7 Ų84.71%0.00541%0.409CS..  trans-103.4-18.3-17759.8175.7000112.7E38 D44 E53 Q54 F57 L340E38-I40 HydrophobicContact CB-CG2 4.42Å; E38-I40 PolarHBondContact O-N 2.95Å; I40-D44 PolarHBondContact N-OD2 3.05Å; I40-E53 HydrophobicContact CG2-CB 4.16Å; I40-Q54 HydrophobicContact CB-CG 4.23Å; I40-Q54 PolarHBondContact O-NE2 3.41Å; I40-F57 HydrophobicContact CD1-CD1 4.04Å; I40-F57 HydrophobicContact CD1-CD2 3.67Å; I40-F57 HydrophobicContact CD1-CE1 3.95Å; I40-F57 HydrophobicContact CD1-CE2 3.58Å; I40-F57 HydrophobicContact CD1-CG 3.9Å; I40-F57 HydrophobicContact CD1-CZ 3.72Å; I40-F57 HydrophobicContact CG2-CB 4.06Å; I40-F57 HydrophobicContact CG2-CD2 4.3Å; I40-F57 HydrophobicContact CG2-CG 4.21Å; I40-L340 HydrophobicContact CB-CD2 4.41Å; I40-L340 HydrophobicContact CD1-CD2 4.01Å; I40-L340 HydrophobicContact CG1-CD2 4.44Å
41W96.1Very high80.3Confident8 Ų880 Ų803%0.0339%0.387CS..SBendtrans-104.6152176.4-63.2101000112.2E43 D44 A45 R50 W153 D162 L340 R345W41-E43 WeakPolarHBondContact CB-OE2 3.47Å; W41-E43 PolarHBondContact O-N 3.16Å; W41-D44 WeakPolarHBondContact CB-OD2 3.41Å; W41-D44 PolarHBondContact N-OD2 2.89Å; W41-D44 WeakPolarHBondContact O-CB 3.02Å; W41-D44 PolarHBondContact O-N 3.46Å; W41-A45 PolarHBondContact O-N 3.32Å; W41-R50 WeakPolarHBondContact O-CD 3.48Å; W41-W153 HydrophobicContact CH2-CD2 4.23Å; W41-W153 AromaticContact CH2-CE2 3.62Å; W41-W153 AromaticContact CH2-CH2 3.71Å; W41-W153 HydrophobicContact CH2-CH2 3.71Å; W41-W153 AromaticContact CH2-CZ2 3.36Å; W41-W153 HydrophobicContact CH2-CZ2 3.36Å; W41-W153 HydrophobicContact CH2-CZ3 4.27Å; W41-W153 HydrophobicContact CZ2-CZ2 4.26Å; W41-W153 HydrophobicContact CZ3-CD2 4.19Å; W41-W153 AromaticContact CZ3-CE2 3.83Å; W41-W153 HydrophobicContact CZ3-CZ2 4.07Å; W41-W153 AromaticContact CZ3-NE1 3.94Å; W41-D162 HydrophobicContact CZ3-CB 4.25Å; W41-L340 HydrophobicContact CH2-CB 4.24Å; W41-L340 HydrophobicContact CH2-CD2 4.26Å; W41-L340 HydrophobicContact CZ2-CB 4.43Å; W41-L340 HydrophobicContact CZ2-CD2 3.93Å; W41-R345 HydrophobicContact CD2-CB 3.87Å; W41-R345 HydrophobicContact CE3-CB 4.24Å; W41-R345 HydrophobicContact CG-CB 4.43Å; W41-R345 HydrophobicContact CH2-CB 4.18Å; W41-R345 HydrophobicContact CZ2-CB 3.74Å; W41-R345 HydrophobicContact CZ3-CB 4.39Å
42P95.2Very high82.5Confident10 Ų1073.5 Ų73.57%0.06537%0.366CS..THydrogen-bonded Turntrans-58.7-29.4-179.421.4-31000114D44 A45 P46P42-D44 VanDerWaalsContact C-N 3.27Å; P42-D44 PolarHBondContact O-N 3.08Å; P42-A45 CarbonylContact O-C 3.52Å; P42-A45 VanDerWaalsContact O-C 3.26Å; P42-A45 PolarHBondContact O-N 3.21Å; P42-P46 WeakPolarHBondContact O-CA 3.37Å; P42-P46 WeakPolarHBondContact O-CD 3.43Å; P42-P46 WeakPolarHBondContact O-CG 3.35Å
43E93.4Very high84.8Confident83 Ų8369.2 Ų69.239%0.38834%0.343SS..THydrogen-bonded Turntrans-68.7-26.2175.1-5977.4-170.200112.7W41 R345 K347W41-E43 WeakPolarHBondContact CB-OE2 3.47Å; W41-E43 PolarHBondContact O-N 3.16Å; E43-R345 IonicContact OE2-CZ 3.38Å; E43-R345 IonicContact OE2-NE 2.7Å; E43-R345 IonicContact OE2-NH1 3.58Å; E43-K347 IonicContact OE1-NZ 3.75Å; E43-K347 PolarHBondContact OE1-NZ 2.93Å; E43-K347 IonicContact OE2-NZ 3.48Å
44D93.9Very high87.3Confident72 Ų7263.4 Ų63.439%0.38532%0.315SS..THydrogen-bonded Turntrans-80.3-31-179.1-48.1-27.5000111P39 I40 W41 P42 R345P39-D44 HydrophobicContact CB-CB 3.54Å; I40-D44 PolarHBondContact N-OD2 3.05Å; W41-D44 WeakPolarHBondContact CB-OD2 3.41Å; W41-D44 PolarHBondContact N-OD2 2.89Å; W41-D44 WeakPolarHBondContact O-CB 3.02Å; W41-D44 PolarHBondContact O-N 3.46Å; P42-D44 VanDerWaalsContact C-N 3.27Å; P42-D44 PolarHBondContact O-N 3.08Å; D44-R345 IonicContact OD1-CZ 2.85Å; D44-R345 IonicContact OD1-NH1 2.64Å; D44-R345 PolarHBondContact OD1-NH1 3.35Å; D44-R345 IonicContact OD2-NH1 3.31Å
45A92.7Very high89.6Confident19 Ų1955.3 Ų55.316%0.15729%0.288CS..  trans-150.283.6176.300000111.8P39 W41 P42 N47 S48 R50P39-A45 HydrophobicContact CB-CB 3.69Å; P39-A45 HydrophobicContact CG-CB 4.13Å; W41-A45 PolarHBondContact O-N 3.32Å; P42-A45 CarbonylContact O-C 3.52Å; P42-A45 VanDerWaalsContact O-C 3.26Å; P42-A45 PolarHBondContact O-N 3.21Å; A45-N47 PolarHBondContact O-N 2.95Å; A45-N47 VanDerWaalsContact O-N 3.13Å; A45-S48 PolarHBondContact O-N 3.25Å; A45-S48 VanDerWaalsContact O-N 3.11Å; A45-R50 HydrophobicContact CB-CG 4.36Å; A45-R50 PolarHBondContact O-NH1 3.49Å
46P87.1Confident91.6Very high76 Ų7652.7 Ų52.749%0.49427%0.272SS..THydrogen-bonded Turntrans-61.8-24.9-173.7-26.734.5000115.2P42P42-P46 WeakPolarHBondContact O-CA 3.37Å; P42-P46 WeakPolarHBondContact O-CD 3.43Å; P42-P46 WeakPolarHBondContact O-CG 3.35Å
47N85Confident93.3Very high126 Ų12647.9 Ų47.967%0.67424%0.242SC*.THydrogen-bonded Turntrans-103.69.2-178.2-63.8-37.9000113.4A45 R159A45-N47 PolarHBondContact O-N 2.95Å; A45-N47 VanDerWaalsContact O-N 3.13Å; N47-R159 PolarHBondContact O-NH1 2.78Å; N47-R159 PolarHBondContact O-NH2 3.38Å
48S93.4Very high94.3Very high33 Ų3347.6 Ų47.623%0.23124%0.237CC..  trans-104.5155.4176-174.90000110.6A45 R50 R159A45-S48 PolarHBondContact O-N 3.25Å; A45-S48 VanDerWaalsContact O-N 3.11Å; S48-R50 VanDerWaalsContact C-N 3.33Å; S48-R50 PolarHBondContact O-NH1 3.17Å; S48-R50 PolarHBondContact OG-N 3.09Å; S48-R50 VanDerWaalsContact OG-N 3.13Å; S48-R159 VanDerWaalsContact O-O 3.1Å
49D96.1Very high94.7Very high21 Ų2144.8 Ų44.811%0.11223%0.225CC..  trans-82-17.7167.868.123.1000112.3I51 V164 K169D49-I51 HydrophobicContact CB-CD1 4Å; D49-I51 HydrophobicContact CB-CG1 4.07Å; D49-I51 PolarHBondContact O-N 2.94Å; D49-I51 PolarHBondContact OD1-N 3.19Å; D49-V164 HydrophobicContact CB-CB 4.49Å; D49-V164 HydrophobicContact CB-CG1 4.29Å; D49-V164 HydrophobicContact CB-CG2 4.43Å; D49-V164 WeakPolarHBondContact O-CG2 3.41Å; D49-K169 IonicContact OD1-NZ 3.99Å; D49-K169 PolarHBondContact OD1-NZ 2.93Å; D49-K169 IonicContact OD2-NZ 3.97Å; D49-K169 PolarHBondContact OD2-NZ 2.98Å
50R97.1Very high94.7Very high0 Ų048.7 Ų48.70%025%0.25CS..  trans57.313.4-179.8-54.4168.6-65.5-72.2-12.6114.2P39 W41 A45 S48 E52 E53 Q54 R159 S161P39-R50 WeakPolarHBondContact O-CG 3.29Å; W41-R50 WeakPolarHBondContact O-CD 3.48Å; A45-R50 HydrophobicContact CB-CG 4.36Å; A45-R50 PolarHBondContact O-NH1 3.49Å; S48-R50 VanDerWaalsContact C-N 3.33Å; S48-R50 PolarHBondContact O-NH1 3.17Å; S48-R50 PolarHBondContact OG-N 3.09Å; S48-R50 VanDerWaalsContact OG-N 3.13Å; R50-E52 PolarHBondContact O-N 3.21Å; R50-E53 VanDerWaalsContact CA-OE2 3.28Å; R50-E53 WeakPolarHBondContact CA-OE2 3.3Å; R50-E53 PolarHBondContact O-N 3Å; R50-Q54 HydrophobicContact CB-CG 4.4Å; R50-Q54 VanDerWaalsContact O-CB 3.28Å; R50-Q54 WeakPolarHBondContact O-CB 3.33Å; R50-Q54 WeakPolarHBondContact O-CG 3.3Å; R50-Q54 PolarHBondContact O-N 3.15Å; R50-R159 PolarHBondContact NH1-O 3.4Å; R50-R159 PolarHBondContact NH2-O 2.64Å; R50-S161 PolarHBondContact NH2-O 2.62Å
51I97.8Very high94.7Very high0 Ų056 Ų560%028%0.282CS..Hα-helixtrans-67.3-43.4-171.1-68.6170.1000110.3D49 Q54 L55 V164 P166 K169 T331D49-I51 HydrophobicContact CB-CD1 4Å; D49-I51 HydrophobicContact CB-CG1 4.07Å; D49-I51 PolarHBondContact O-N 2.94Å; D49-I51 PolarHBondContact OD1-N 3.19Å; I51-Q54 PolarHBondContact O-N 2.93Å; I51-L55 HydrophobicContact CG2-CD1 4.07Å; I51-L55 HydrophobicContact CG2-CG 4.49Å; I51-L55 WeakPolarHBondContact O-CB 3.4Å; I51-L55 WeakPolarHBondContact O-CG 3.33Å; I51-L55 PolarHBondContact O-N 3.02Å; I51-V164 HydrophobicContact CD1-CB 4.24Å; I51-V164 HydrophobicContact CD1-CG1 4.25Å; I51-V164 HydrophobicContact CG1-CB 4.23Å; I51-P166 HydrophobicContact CD1-CG 3.7Å; I51-K169 HydrophobicContact CB-CD 3.77Å; I51-K169 HydrophobicContact CD1-CD 3.78Å; I51-K169 HydrophobicContact CG1-CD 4.34Å; I51-K169 HydrophobicContact CG2-CD 3.65Å; I51-T331 HydrophobicContact CD1-CG2 4.22Å; I51-T331 HydrophobicContact CG2-CG2 4.15Å
52E96.8Very high94.8Very high74 Ų7459.6 Ų59.635%0.34630%0.301SS..Hα-helixtrans-71.6-36.7-179-74.7170.9-109.500112.1R50 L55 R56 K169 L329R50-E52 PolarHBondContact O-N 3.21Å; E52-L55 PolarHBondContact O-N 3.25Å; E52-R56 WeakPolarHBondContact O-CG 3.49Å; E52-R56 PolarHBondContact O-N 2.98Å; E52-R56 PolarHBondContact O-NE 2.87Å; E52-K169 WeakPolarHBondContact OE1-CE 3.47Å; E52-K169 IonicContact OE1-NZ 3.96Å; E52-K169 PolarHBondContact OE1-NZ 3.04Å; E52-K169 VanDerWaalsContact OE1-NZ 3.08Å; E52-L329 HydrophobicContact CG-CD2 4.16Å
53E97Very high94.9Very high41 Ų4162.6 Ų62.619%0.19231%0.311CS..Hα-helixtrans-62.3-50171.2-65.969.6-15100110.7E38 P39 I40 R50 L55 R56 F57E38-E53 HydrophobicContact CB-CB 4.41Å; E38-E53 HydrophobicContact CB-CG 4.4Å; P39-E53 HydrophobicContact CG-CG 4.34Å; I40-E53 HydrophobicContact CG2-CB 4.16Å; R50-E53 VanDerWaalsContact CA-OE2 3.28Å; R50-E53 WeakPolarHBondContact CA-OE2 3.3Å; R50-E53 PolarHBondContact O-N 3Å; E53-L55 VanDerWaalsContact C-N 3.3Å; E53-L55 PolarHBondContact O-N 2.77Å; E53-R56 PolarHBondContact O-N 3.16Å; E53-R56 VanDerWaalsContact O-N 3.11Å; E53-R56 IonicContact OE1-NH2 3.86Å; E53-F57 WeakPolarHBondContact O-CB 3.32Å; E53-F57 PolarHBondContact O-N 3.35Å
54Q97.8Very high94.9Very high1 Ų165.4 Ų65.41%0.00533%0.329CS..Hα-helixtrans-63.6-32.2177.8-72.9176.8-5.600113.1I40 R50 I51 D162 R336 L340I40-Q54 HydrophobicContact CB-CG 4.23Å; I40-Q54 PolarHBondContact O-NE2 3.41Å; R50-Q54 HydrophobicContact CB-CG 4.4Å; R50-Q54 VanDerWaalsContact O-CB 3.28Å; R50-Q54 WeakPolarHBondContact O-CB 3.33Å; R50-Q54 WeakPolarHBondContact O-CG 3.3Å; R50-Q54 PolarHBondContact O-N 3.15Å; I51-Q54 PolarHBondContact O-N 2.93Å; Q54-D162 PolarHBondContact NE2-O 3.28Å; Q54-R336 HydrophobicContact CB-CB 4.23Å; Q54-R336 VanDerWaalsContact CB-CD 3.49Å; Q54-R336 HydrophobicContact CB-CG 3.84Å; Q54-L340 HydrophobicContact CG-CD1 4.35Å
55L96.9Very high95Very high42 Ų4264.8 Ų64.822%0.2234%0.339CS..Hα-helixtrans-67.1-36.1173.9-77.7170.9000112.4I51 E52 E53 R58 L329 K332 R336I51-L55 HydrophobicContact CG2-CD1 4.07Å; I51-L55 HydrophobicContact CG2-CG 4.49Å; I51-L55 WeakPolarHBondContact O-CB 3.4Å; I51-L55 WeakPolarHBondContact O-CG 3.33Å; I51-L55 PolarHBondContact O-N 3.02Å; E52-L55 PolarHBondContact O-N 3.25Å; E53-L55 VanDerWaalsContact C-N 3.3Å; E53-L55 PolarHBondContact O-N 2.77Å; L55-R58 PolarHBondContact O-NH1 3.33Å; L55-R58 PolarHBondContact O-NH2 3.48Å; L55-L329 HydrophobicContact CD1-CD2 3.91Å; L55-K332 HydrophobicContact CD2-CB 3.69Å; L55-K332 HydrophobicContact CD2-CG 4.1Å; L55-R336 HydrophobicContact CD2-CG 3.95Å; L55-R336 HydrophobicContact CG-CG 4.19Å
56R96.1Very high95.2Very high140 Ų14067.8 Ų67.853%0.52836%0.355SS..Hα-helixtrans-81.4-24.7177.9-71.5-176.5-67.6-177-1.8113E38 E52 E53 R58E38-R56 IonicContact OE1-CZ 2.79Å; E38-R56 IonicContact OE1-NE 3.38Å; E38-R56 IonicContact OE1-NH1 3.08Å; E38-R56 IonicContact OE1-NH2 2.9Å; E38-R56 IonicContact OE2-NE 3.44Å; E52-R56 WeakPolarHBondContact O-CG 3.49Å; E52-R56 PolarHBondContact O-N 2.98Å; E52-R56 PolarHBondContact O-NE 2.87Å; E53-R56 PolarHBondContact O-N 3.16Å; E53-R56 VanDerWaalsContact O-N 3.11Å; E53-R56 IonicContact OE1-NH2 3.86Å; R56-R58 PolarHBondContact O-N 3.37Å; R56-R58 PolarHBondContact O-NH1 3.01Å
57F96.7Very high95.8Very high21 Ų2164.3 Ų64.39%0.09233%0.333CS..  trans-55124.8-175.6177.4-119.7000113.1I40 E53 P59 A339 L340 E343I40-F57 HydrophobicContact CD1-CD1 4.04Å; I40-F57 HydrophobicContact CD1-CD2 3.67Å; I40-F57 HydrophobicContact CD1-CE1 3.95Å; I40-F57 HydrophobicContact CD1-CE2 3.58Å; I40-F57 HydrophobicContact CD1-CG 3.9Å; I40-F57 HydrophobicContact CD1-CZ 3.72Å; I40-F57 HydrophobicContact CG2-CB 4.06Å; I40-F57 HydrophobicContact CG2-CD2 4.3Å; I40-F57 HydrophobicContact CG2-CG 4.21Å; E53-F57 WeakPolarHBondContact O-CB 3.32Å; E53-F57 PolarHBondContact O-N 3.35Å; F57-P59 HydrophobicContact CE1-CB 4.31Å; F57-P59 HydrophobicContact CZ-CB 4.03Å; F57-A339 HydrophobicContact CD1-CB 4.03Å; F57-L340 HydrophobicContact CD1-CD2 4.06Å; F57-L340 HydrophobicContact CE1-CD2 4.17Å; F57-E343 HydrophobicContact CE1-CB 4.48Å; F57-E343 HydrophobicContact CZ-CB 4Å; F57-E343 WeakPolarHBondContact CZ-OE2 3.37Å
58R96.1Very high96.4Very high117 Ų11760 Ų6044%0.44231%0.31SS..  trans-123.7117.4170-59.2-62.2172.2-94.1-10.1108.1L55 R56 P94L55-R58 PolarHBondContact O-NH1 3.33Å; L55-R58 PolarHBondContact O-NH2 3.48Å; R56-R58 PolarHBondContact O-N 3.37Å; R56-R58 PolarHBondContact O-NH1 3.01Å; R58-P94 VanDerWaalsContact NE-CB 3.3Å; R58-P94 VanDerWaalsContact NH2-CB 3.26Å; R58-P94 VanDerWaalsContact NH2-CG 3.27Å
59P95.2Very high96.6Very high14 Ų1458.5 Ų58.59%0.09130%0.299CS..  trans-61.7139.6177.928.5-37.1000109.7F57 K61 L62 V95 N342 E343F57-P59 HydrophobicContact CE1-CB 4.31Å; F57-P59 HydrophobicContact CZ-CB 4.03Å; P59-K61 PolarHBondContact O-N 3.38Å; P59-L62 HydrophobicContact CG-CD2 3.55Å; P59-V95 HydrophobicContact CG-CG2 4.49Å; P59-N342 HydrophobicContact CB-CB 3.97Å; P59-N342 HydrophobicContact CG-CB 3.65Å; P59-E343 HydrophobicContact CB-CB 4.17Å
60P93.6Very high96.7Very high123 Ų12357.5 Ų57.580%0.79929%0.294SS*.SBendtrans-60.3-30.7179.5-24.934.1000113.6E343P60-E343 WeakPolarHBondContact CD-OE2 3.49Å
61K95.4Very high96.7Very high156 Ų15657.5 Ų57.568%0.67829%0.294SS*.SBendtrans-139.3131.4175.3-175.4-176.5174-171.20108.8P59P59-K61 PolarHBondContact O-N 3.38Å
62L97.6Very high96.6Very high82 Ų8259.3 Ų59.343%0.42930%0.302SS..PPolyproline II helixtrans-75.6146.2171.2-61.3177.5000110.3P59 V95 N342P59-L62 HydrophobicContact CG-CD2 3.55Å; L62-V95 HydrophobicContact CD2-CG1 3.73Å; L62-N342 WeakPolarHBondContact CA-OD1 3.09Å; L62-N342 HydrophobicContact CD2-CB 4.09Å; L62-N342 WeakPolarHBondContact CD2-OD1 3.45Å
63R96.6Very high96.4Very high74 Ų7458.3 Ų58.328%0.27930%0.297SS..PPolyproline II helixtrans-65.1148.6168.5-74.7179.465.9-165.9-9.2109.5L67 N97 D111 L341 N342R63-L67 HydrophobicContact CB-CD1 4.43Å; R63-L67 HydrophobicContact CB-CD2 4.02Å; R63-N97 PolarHBondContact O-ND2 3.33Å; R63-D111 IonicContact CZ-OD1 3.18Å; R63-D111 IonicContact NH1-OD1 3.27Å; R63-D111 IonicContact NH2-OD1 3.66Å; R63-D111 PolarHBondContact NH2-OD1 3.17Å; R63-L341 WeakPolarHBondContact CD-O 3.22Å; R63-N342 PolarHBondContact N-OD1 2.95Å
64D94.3Very high96.1Very high142 Ų14257.4 Ų57.476%0.75930%0.299SS*.SBendtrans-67.1138.3-178.4-61.9-36.2000110.8
65G95.9Very high95.8Very high58 Ų5860 Ų6060%0.59831%0.309SS*.SBendtrans80-160177.300000114.8
66V97.8Very high95.5Very high82 Ų8264.9 Ų64.950%0.49733%0.33SS..  trans-105.4120.4179.5177.40000108.6N97 R99V66-N97 CarbonylContact C-O 3.58Å; V66-N97 WeakPolarHBondContact CA-O 3.33Å; V66-R99 HydrophobicContact CG1-CB 4.01Å; V66-R99 HydrophobicContact CG1-CG 3.61Å
67L98.2Very high95.2Very high3 Ų363.9 Ų63.92%0.01633%0.327CS..EExtended strand (participates in β ladder)trans-75.9127.6177.8-57.7177.6000110.2R63 N97 C98 R99 D111 L341R63-L67 HydrophobicContact CB-CD1 4.43Å; R63-L67 HydrophobicContact CB-CD2 4.02Å; L67-N97 PolarHBondContact N-O 3.34Å; L67-C98 CarbonylContact O-C 3.54Å; L67-C98 WeakPolarHBondContact O-CA 3.47Å; L67-R99 PolarHBondContact O-N 2.89Å; L67-D111 VanDerWaalsContact CA-OD2 3.29Å; L67-D111 WeakPolarHBondContact CA-OD2 3.46Å; L67-D111 HydrophobicContact CB-CB 4.41Å; L67-D111 HydrophobicContact CD2-CB 4.34Å; L67-L341 HydrophobicContact CD1-CB 3.8Å
68L98.1Very high95Very high37 Ų3763.4 Ų63.419%0.19432%0.324CS..EExtended strand (participates in β ladder)trans-97.7124.3-178.3177.461.7000110.6D106 K109 A110 D111 A112L68-D106 HydrophobicContact CD2-CB 4.2Å; L68-K109 HydrophobicContact CD2-CB 3.97Å; L68-A110 HydrophobicContact CD2-CB 4.47Å; L68-A110 HydrophobicContact CG-CB 4.18Å; L68-A110 CarbonylContact O-C 3.57Å; L68-A110 WeakPolarHBondContact O-CA 3.3Å; L68-D111 PolarHBondContact N-OD2 3.33Å; L68-D111 PolarHBondContact O-N 3.06Å; L68-A112 PolarHBondContact O-N 3.22Å
69I98.2Very high94.8Very high0 Ų063.2 Ų63.20%033%0.332CS..EExtended strand (participates in β ladder)trans-107.8111.9178.4-62.5163.4000108.3L71 F90 C98 R99 A100 S101 A112 L114 L337 L341I69-L71 HydrophobicContact CG2-CD2 4.03Å; I69-F90 HydrophobicContact CD1-CE1 3.81Å; I69-F90 HydrophobicContact CD1-CE2 4.26Å; I69-F90 HydrophobicContact CD1-CZ 3.4Å; I69-C98 HydrophobicContact CD1-CB 3.86Å; I69-R99 PolarHBondContact N-O 3.32Å; I69-A100 CarbonylContact O-C 3.17Å; I69-A100 VanDerWaalsContact O-CA 3.22Å; I69-A100 WeakPolarHBondContact O-CA 3.45Å; I69-S101 PolarHBondContact O-N 3.1Å; I69-A112 CarbonylContact C-O 3.5Å; I69-A112 WeakPolarHBondContact CA-O 3.47Å; I69-A112 HydrophobicContact CG1-CB 4.33Å; I69-L114 HydrophobicContact CG2-CD1 3.4Å; I69-L337 HydrophobicContact CD1-CD2 3.89Å; I69-L337 HydrophobicContact CD1-CG 4.12Å; I69-L337 HydrophobicContact CG2-CD2 4.08Å; I69-L341 HydrophobicContact CD1-CD1 3.7Å; I69-L341 HydrophobicContact CG1-CD1 3.64Å
70S97.1Very high94.6Very high1 Ų163.3 Ų63.31%0.00733%0.331CS..EExtended strand (participates in β ladder)trans-80.7122.5173-178.40000110.4F72 S101 A112 L114S70-F72 PolarHBondContact O-N 3.41Å; S70-S101 CarbonylContact C-O 3.48Å; S70-S101 WeakPolarHBondContact CA-O 3.48Å; S70-A112 PolarHBondContact N-O 3.43Å; S70-L114 PolarHBondContact O-N 3.12Å
71L97Very high94.4Very high0 Ų062.6 Ų62.60%033%0.327CS..EExtended strand (participates in β ladder)trans-94.579.3171.9-57.4-172.4000108.2I69 W78 M80 H86 L89 A100 S101 H102 W334I69-L71 HydrophobicContact CG2-CD2 4.03Å; L71-W78 HydrophobicContact CB-CD2 4.4Å; L71-W78 HydrophobicContact CB-CG 4.16Å; L71-W78 HydrophobicContact CD1-CG 4.44Å; L71-W78 HydrophobicContact CD2-CD2 4.35Å; L71-M80 HydrophobicContact CD1-CE 3.2Å; L71-M80 HydrophobicContact CD1-SD 4.2Å; L71-H86 HydrophobicContact CD1-CB 4.46Å; L71-L89 HydrophobicContact CD1-CD1 4.31Å; L71-A100 HydrophobicContact CD1-CB 3.89Å; L71-A100 HydrophobicContact CG-CB 4.1Å; L71-S101 PolarHBondContact N-O 3.17Å; L71-H102 HydrophobicContact CB-CB 4.4Å; L71-W334 HydrophobicContact CD1-CH2 4.35Å; L71-W334 HydrophobicContact CD2-CH2 3.58Å; L71-W334 HydrophobicContact CD2-CZ3 3.59Å
72F95.7Very high94.3Very high37 Ų3758.7 Ų58.716%0.16231%0.313CS..THydrogen-bonded Turntrans-62.7155.5-176.3-170.4-120.9000111.2S70 G74 W78 I107 I113 L114 F115 V118 P120S70-F72 PolarHBondContact O-N 3.41Å; F72-G74 VanDerWaalsContact C-N 3.29Å; F72-G74 PolarHBondContact O-N 2.97Å; F72-W78 PolarHBondContact O-NE1 2.79Å; F72-I107 HydrophobicContact CD2-CD1 3.51Å; F72-I107 HydrophobicContact CD2-CG1 4.37Å; F72-I107 HydrophobicContact CE2-CD1 3.65Å; F72-I113 HydrophobicContact CB-CG2 4.37Å; F72-L114 WeakPolarHBondContact CB-O 3.39Å; F72-L114 PolarHBondContact N-O 3.25Å; F72-F115 HydrophobicContact CB-CB 4.24Å; F72-F115 HydrophobicContact CD1-CB 3.87Å; F72-V118 WeakPolarHBondContact CD1-O 3.39Å; F72-V118 VanDerWaalsContact CE1-O 3.26Å; F72-V118 WeakPolarHBondContact CE1-O 3.41Å; F72-P120 HydrophobicContact CD1-CB 4.13Å; F72-P120 HydrophobicContact CD1-CG 4.24Å; F72-P120 HydrophobicContact CD2-CB 4.1Å; F72-P120 HydrophobicContact CE1-CB 3.91Å; F72-P120 HydrophobicContact CE1-CG 4.44Å; F72-P120 HydrophobicContact CE2-CB 3.87Å; F72-P120 HydrophobicContact CG-CB 4.23Å; F72-P120 HydrophobicContact CG-CG 4.33Å; F72-P120 HydrophobicContact CZ-CB 3.78Å
73E93.1Very high94Very high54 Ų5459.6 Ų59.625%0.25232%0.316SS..THydrogen-bonded Turntrans74.411.3-176.7-43.8173.1129.100115R77 R116 A117 V118E73-R77 HydrophobicContact CB-CB 4.07Å; E73-R77 HydrophobicContact CB-CG 3.87Å; E73-R77 WeakPolarHBondContact O-CB 3.15Å; E73-R116 WeakPolarHBondContact OE2-CA 3.39Å; E73-R116 VanDerWaalsContact OE2-CB 3.3Å; E73-R116 WeakPolarHBondContact OE2-CB 3.25Å; E73-R116 PolarHBondContact OE2-N 3.12Å; E73-A117 WeakPolarHBondContact OE1-CA 3.19Å; E73-A117 VanDerWaalsContact OE1-CB 3.24Å; E73-A117 WeakPolarHBondContact OE1-CB 3.37Å; E73-A117 PolarHBondContact OE1-N 2.97Å; E73-A117 PolarHBondContact OE2-N 2.99Å; E73-V118 PolarHBondContact OE1-N 3.31Å
74G91.1Very high93.9Very high22 Ų2259 Ų5923%0.22732%0.323CS..  trans82.9156.4170.200000114.9F72 Q76 R77 W78F72-G74 VanDerWaalsContact C-N 3.29Å; F72-G74 PolarHBondContact O-N 2.97Å; G74-Q76 VanDerWaalsContact C-N 3.31Å; G74-Q76 PolarHBondContact O-N 3.45Å; G74-R77 WeakPolarHBondContact O-CB 3.18Å; G74-R77 PolarHBondContact O-N 3.42Å; G74-W78 VanDerWaalsContact O-CD1 3.27Å
75Y91.1Very high94Very high55 Ų5553.6 Ų53.622%0.21630%0.295CS..G310 helixtrans-58.6-36.5-170.679.8-87.9000114.1R77 W78 M80 E83Y75-R77 PolarHBondContact O-N 3.47Å; Y75-W78 PolarHBondContact O-N 3.1Å; Y75-M80 HydrophobicContact CD2-CB 3.97Å; Y75-E83 HydrophobicContact CD1-CB 4.07Å; Y75-E83 HydrophobicContact CD1-CG 4.01Å; Y75-E83 HydrophobicContact CE1-CB 3.96Å; Y75-E83 HydrophobicContact CE1-CG 4.23Å; Y75-E83 HydrophobicContact CG-CB 4.41Å
76Q89.9Confident94Very high144 Ų14451.9 Ų51.967%0.67327%0.271SS*.G310 helixtrans-60.5-34.1179.4-64.9-176.8-14.900111.7G74 W78 D79G74-Q76 VanDerWaalsContact C-N 3.31Å; G74-Q76 PolarHBondContact O-N 3.45Å; Q76-W78 PolarHBondContact O-N 2.97Å; Q76-D79 PolarHBondContact O-N 3.28Å
77R91.4Very high93.9Very high119 Ų11954.2 Ų54.245%0.44928%0.277SS..G310 helixtrans-70.9-15.6-179.9-166.854175.3160.61.3112.4E73 G74 Y75 R116E73-R77 HydrophobicContact CB-CB 4.07Å; E73-R77 HydrophobicContact CB-CG 3.87Å; E73-R77 WeakPolarHBondContact O-CB 3.15Å; G74-R77 WeakPolarHBondContact O-CB 3.18Å; G74-R77 PolarHBondContact O-N 3.42Å; Y75-R77 PolarHBondContact O-N 3.47Å; R77-R116 PolarHBondContact O-NE 3.47Å; R77-R116 PolarHBondContact O-NH1 2.79Å
78W92.7Very high93.8Very high11 Ų1157.8 Ų57.84%0.04230%0.299CS..G310 helixtrans-100.918177.5-6593.1000113.5L71 F72 G74 Y75 Q76 M80 L114 R116 W334L71-W78 HydrophobicContact CB-CD2 4.4Å; L71-W78 HydrophobicContact CB-CG 4.16Å; L71-W78 HydrophobicContact CD1-CG 4.44Å; L71-W78 HydrophobicContact CD2-CD2 4.35Å; F72-W78 PolarHBondContact O-NE1 2.79Å; G74-W78 VanDerWaalsContact O-CD1 3.27Å; Y75-W78 PolarHBondContact O-N 3.1Å; Q76-W78 PolarHBondContact O-N 2.97Å; W78-M80 HydrophobicContact CB-CG 4.35Å; W78-M80 PolarHBondContact O-N 3.44Å; W78-M80 VanDerWaalsContact O-N 3.13Å; W78-L114 HydrophobicContact CH2-CB 3.28Å; W78-L114 HydrophobicContact CH2-CD2 3.87Å; W78-L114 HydrophobicContact CH2-CG 4.23Å; W78-L114 HydrophobicContact CZ2-CB 3.58Å; W78-L114 WeakPolarHBondContact CZ2-O 3.39Å; W78-L114 HydrophobicContact CZ3-CB 4.06Å; W78-L114 HydrophobicContact CZ3-CD2 3.77Å; W78-R116 HydrophobicContact CH2-CG 3.75Å; W78-R116 HydrophobicContact CZ2-CG 4.05Å; W78-R116 HydrophobicContact CZ3-CG 4.23Å; W78-W334 AromaticContact CE3-CH2 3.96Å; W78-W334 HydrophobicContact CE3-CH2 3.96Å
79D90Very high93.7Very high114 Ų11457.4 Ų57.461%0.6130%0.297SS*.THydrogen-bonded Turntrans60.124.8176.8-48.3-68000112.9Q76 R116Q76-D79 PolarHBondContact O-N 3.28Å; D79-R116 IonicContact OD2-CZ 3.8Å; D79-R116 IonicContact OD2-NH1 2.82Å; D79-R116 PolarHBondContact OD2-NH1 3.19Å; D79-R116 IonicContact OD2-NH2 4Å; D79-R116 PolarHBondContact OD2-NH2 3.01Å
80M91.8Very high93.7Very high15 Ų1557.7 Ų57.77%0.07430%0.298CS..  trans-76.8131.6176.7-71.1-176.7171.800110.5L71 Y75 W78 N82 T85 H86 L89L71-M80 HydrophobicContact CD1-CE 3.2Å; L71-M80 HydrophobicContact CD1-SD 4.2Å; Y75-M80 HydrophobicContact CD2-CB 3.97Å; W78-M80 HydrophobicContact CB-CG 4.35Å; W78-M80 PolarHBondContact O-N 3.44Å; W78-M80 VanDerWaalsContact O-N 3.13Å; M80-N82 VanDerWaalsContact C-N 3.26Å; M80-N82 PolarHBondContact O-N 3.17Å; M80-T85 HydrophobicContact CG-CG2 4.31Å; M80-H86 HydrophobicContact CE-CB 3.79Å; M80-H86 HydrophobicContact SD-CB 3.9Å; M80-L89 HydrophobicContact CE-CD1 3.47Å; M80-L89 VanDerWaalsContact CE-CD1 3.47Å; M80-L89 HydrophobicContact CE-CD2 4.13Å; M80-L89 HydrophobicContact CE-CG 4.09Å
81P89.9Confident93.7Very high109 Ų10962.5 Ų62.571%0.70832%0.324SS*.SBendtrans-67.5-26.4-177.927-34000113T85P81-T85 WeakPolarHBondContact CD-OG1 3.34Å; P81-T85 HydrophobicContact CG-CG2 4.34Å; P81-T85 WeakPolarHBondContact CG-OG1 3.36Å
82N93.6Very high93.6Very high73 Ų7369.8 Ų69.839%0.3936%0.363SS..SBendtrans-152.9166.8175.958.758.4000111.1M80 S84 T85M80-N82 VanDerWaalsContact C-N 3.26Å; M80-N82 PolarHBondContact O-N 3.17Å; N82-S84 VanDerWaalsContact C-N 3.32Å; N82-S84 PolarHBondContact O-N 3Å; N82-S84 PolarHBondContact OD1-N 3.09Å; N82-S84 PolarHBondContact OD1-OG 3.26Å; N82-T85 VanDerWaalsContact CG-OG1 3.28Å; N82-T85 WeakPolarHBondContact O-CB 3.18Å; N82-T85 PolarHBondContact O-N 2.91Å; N82-T85 PolarHBondContact O-OG1 3.16Å; N82-T85 PolarHBondContact OD1-N 2.88Å; N82-T85 PolarHBondContact OD1-OG1 3.03Å
83E91.4Very high93.7Very high102 Ų10268.3 Ų68.348%0.47736%0.357SS..G310 helixtrans-62.3-34.9-176-171.6170.4-164.100113.2Y75 T85 H86 H102Y75-E83 HydrophobicContact CD1-CB 4.07Å; Y75-E83 HydrophobicContact CD1-CG 4.01Å; Y75-E83 HydrophobicContact CE1-CB 3.96Å; Y75-E83 HydrophobicContact CE1-CG 4.23Å; Y75-E83 HydrophobicContact CG-CB 4.41Å; E83-T85 VanDerWaalsContact C-N 3.29Å; E83-T85 PolarHBondContact O-N 3.32Å; E83-H86 PolarHBondContact O-CE1 3.15Å; E83-H86 PolarHBondContact O-ND1 2.81Å; E83-H102 WeakPolarHBondContact CG-CE1 3.3Å; E83-H102 WeakPolarHBondContact CG-NE2 3.34Å; E83-H102 IonicContact OE1-CE1 3.07Å; E83-H102 IonicContact OE1-NE2 2.53Å; E83-H102 PolarHBondContact OE1-NE2 3.04Å
84S94.7Very high93.9Very high62 Ų6269.8 Ų69.843%0.43437%0.371SS..G310 helixtrans-79.7-5.2-179.3590000114.1N82 H86 E87N82-S84 VanDerWaalsContact C-N 3.32Å; N82-S84 PolarHBondContact O-N 3Å; N82-S84 PolarHBondContact OD1-N 3.09Å; N82-S84 PolarHBondContact OD1-OG 3.26Å; S84-H86 PolarHBondContact O-N 2.86Å; S84-E87 WeakPolarHBondContact O-CB 3.25Å; S84-E87 PolarHBondContact O-N 2.85Å; S84-E87 VanDerWaalsContact O-N 3.13Å
85T95Very high94.3Very high28 Ų2869.2 Ų69.217%0.17236%0.363CS..G310 helixtrans-61.8-28.4-177.5-59.40000112.2M80 P81 N82 E83 E87 T88M80-T85 HydrophobicContact CG-CG2 4.31Å; P81-T85 WeakPolarHBondContact CD-OG1 3.34Å; P81-T85 HydrophobicContact CG-CG2 4.34Å; P81-T85 WeakPolarHBondContact CG-OG1 3.36Å; N82-T85 VanDerWaalsContact CG-OG1 3.28Å; N82-T85 WeakPolarHBondContact O-CB 3.18Å; N82-T85 PolarHBondContact O-N 2.91Å; N82-T85 PolarHBondContact O-OG1 3.16Å; N82-T85 PolarHBondContact OD1-N 2.88Å; N82-T85 PolarHBondContact OD1-OG1 3.03Å; E83-T85 VanDerWaalsContact C-N 3.29Å; E83-T85 PolarHBondContact O-N 3.32Å; T85-E87 PolarHBondContact O-N 2.93Å; T85-T88 PolarHBondContact O-N 3.03Å; T85-T88 PolarHBondContact O-OG1 2.82Å
86H95.6Very high94.6Very high21 Ų2171.1 Ų71.110%0.09738%0.377CS..G310 helixtrans-61.3-26.2178.975.6-91.3000113.2L71 M80 E83 S84 T88 A100 H102L71-H86 HydrophobicContact CD1-CB 4.46Å; M80-H86 HydrophobicContact CE-CB 3.79Å; M80-H86 HydrophobicContact SD-CB 3.9Å; E83-H86 PolarHBondContact O-CE1 3.15Å; E83-H86 PolarHBondContact O-ND1 2.81Å; S84-H86 PolarHBondContact O-N 2.86Å; H86-T88 VanDerWaalsContact C-N 3.3Å; H86-T88 PolarHBondContact O-N 3.16Å; H86-A100 HydrophobicContact CB-CB 3.99Å; H86-A100 PolarHBondContact CD2-O 3.07Å; H86-H102 AromaticContact CE1-CE1 3.68Å; H86-H102 AromaticContact CE1-ND1 3.8Å; H86-H102 AromaticContact CG-ND1 3.99Å; H86-H102 AromaticContact ND1-CE1 3.61Å; H86-H102 AromaticContact ND1-ND1 3.44Å; H86-H102 PolarHBondContact ND1-ND1 2.69Å
87E95.5Very high95Very high132 Ų13265.2 Ų65.262%0.61735%0.35SS*.G310 helixtrans-70.3-25.4-175.4-61.5178.3-176.700113S84 T85S84-E87 WeakPolarHBondContact O-CB 3.25Å; S84-E87 PolarHBondContact O-N 2.85Å; S84-E87 VanDerWaalsContact O-N 3.13Å; T85-E87 PolarHBondContact O-N 2.93Å
88T96.2Very high95.3Very high78 Ų7859.8 Ų59.848%0.47933%0.331SS..G310 helixtrans-108.40.3-17361.60000114T85 H86 F90 N91T85-T88 PolarHBondContact O-N 3.03Å; T85-T88 PolarHBondContact O-OG1 2.82Å; H86-T88 VanDerWaalsContact C-N 3.3Å; H86-T88 PolarHBondContact O-N 3.16Å; T88-F90 PolarHBondContact O-N 3.45Å; T88-N91 PolarHBondContact O-N 3.05Å
89L96.6Very high95.6Very high29 Ų2967.4 Ų67.415%0.15236%0.359CS..THydrogen-bonded Turntrans-54-29.3-173.2-74.5-176.5000114.9L71 M80 A100 W334L71-L89 HydrophobicContact CD1-CD1 4.31Å; M80-L89 HydrophobicContact CE-CD1 3.47Å; M80-L89 VanDerWaalsContact CE-CD1 3.47Å; M80-L89 HydrophobicContact CE-CD2 4.13Å; M80-L89 HydrophobicContact CE-CG 4.09Å; L89-A100 HydrophobicContact CD1-CB 3.8Å; L89-W334 HydrophobicContact CB-CB 4.44Å; L89-W334 HydrophobicContact CB-CG 4.33Å; L89-W334 HydrophobicContact CD1-CD2 3.83Å; L89-W334 HydrophobicContact CD1-CE3 4.12Å; L89-W334 HydrophobicContact CD1-CG 4.22Å; L89-W334 HydrophobicContact CD1-CZ2 4.27Å; L89-W334 HydrophobicContact CD1-CZ3 4.46Å; L89-W334 HydrophobicContact CD2-CD2 4.4Å; L89-W334 HydrophobicContact CD2-CG 4.15Å; L89-W334 HydrophobicContact CG-CG 4.47Å
90F97.8Very high95.9Very high6 Ų662.3 Ų62.33%0.02633%0.333CS..THydrogen-bonded Turntrans-110.2-2.1-173.2-51.7-78.8000113.9I69 T88 D92 C93 N96 C98 A100 W334 C338I69-F90 HydrophobicContact CD1-CE1 3.81Å; I69-F90 HydrophobicContact CD1-CE2 4.26Å; I69-F90 HydrophobicContact CD1-CZ 3.4Å; T88-F90 PolarHBondContact O-N 3.45Å; F90-D92 VanDerWaalsContact C-N 3.32Å; F90-D92 PolarHBondContact O-N 2.89Å; F90-C93 VanDerWaalsContact O-CB 3.31Å; F90-C93 WeakPolarHBondContact O-CB 3.23Å; F90-C93 PolarHBondContact O-N 2.88Å; F90-N96 HydrophobicContact CB-CB 4.47Å; F90-N96 WeakPolarHBondContact O-CB 3.17Å; F90-C98 HydrophobicContact CD1-CB 3.97Å; F90-C98 HydrophobicContact CD2-CB 4.12Å; F90-C98 WeakPolarHBondContact CD2-O 3.34Å; F90-C98 HydrophobicContact CE1-CB 3.99Å; F90-C98 HydrophobicContact CE2-CB 4.17Å; F90-C98 HydrophobicContact CG-CB 4.04Å; F90-C98 HydrophobicContact CZ-CB 4.12Å; F90-A100 HydrophobicContact CE2-CB 4.03Å; F90-W334 HydrophobicContact CD1-CB 4.28Å; F90-W334 HydrophobicContact CE1-CB 3.83Å; F90-W334 VanDerWaalsContact CE1-O 3.32Å; F90-W334 WeakPolarHBondContact CE1-O 3.37Å; F90-W334 HydrophobicContact CZ-CB 4.4Å; F90-W334 HydrophobicContact CZ-CE3 4.42Å; F90-C338 HydrophobicContact CD1-CB 3.75Å; F90-C338 HydrophobicContact CE1-CB 3.9Å
91N96.7Very high96.2Very high101 Ų10162 Ų6254%0.5433%0.332SS..THydrogen-bonded Turntrans-58.9-42.1-171.4-73-2000112.8T88 C93T88-N91 PolarHBondContact O-N 3.05Å; N91-C93 VanDerWaalsContact C-N 3.33Å
92D96Very high96.4Very high153 Ų15357.5 Ų57.582%0.81830%0.302SS*.THydrogen-bonded Turntrans-939.3-178.2-58.5-36.9000112.8F90F90-D92 VanDerWaalsContact C-N 3.32Å; F90-D92 PolarHBondContact O-N 2.89Å
93C98.2Very high96.4Very high7 Ų757.4 Ų57.45%0.04730%0.299CS..  trans-84.6138.7-179.6-62.60000111.3F90 N91 V95 N96 C335F90-C93 VanDerWaalsContact O-CB 3.31Å; F90-C93 WeakPolarHBondContact O-CB 3.23Å; F90-C93 PolarHBondContact O-N 2.88Å; N91-C93 VanDerWaalsContact C-N 3.33Å; C93-V95 WeakPolarHBondContact CB-O 3.5Å; C93-V95 PolarHBondContact O-N 3.26Å; C93-N96 HydrophobicContact CB-CB 4.42Å; C93-N96 WeakPolarHBondContact O-CB 3.28Å; C93-C335 WeakPolarHBondContact CA-SG 3.45Å; C93-C335 HydrophobicContact CB-CB 3.65Å; C93-C335 WeakPolarHBondContact CB-SG 3.39Å; C93-C335 WeakPolarHBondContact SG-CA 3.34Å; C93-C335 WeakPolarHBondContact SG-CB 3.5Å; C93-C335 CovalentContact SG-SG 2.04Å; C93-C335 PolarHBondContact SG-SG 3.41Å
94P97.3Very high96.4Very high85 Ų8557.7 Ų57.755%0.55230%0.303SS*.SBendtrans-62.5-29.7173.6-28.238.2000114.2R58R58-P94 VanDerWaalsContact NE-CB 3.3Å; R58-P94 VanDerWaalsContact NH2-CB 3.26Å; R58-P94 VanDerWaalsContact NH2-CG 3.27Å
95V98.2Very high96.3Very high9 Ų962.2 Ų62.26%0.05532%0.315CS..SBendtrans-113115.2165.6-178.40000106.5P59 L62 C93 N97 A339 N342P59-V95 HydrophobicContact CG-CG2 4.49Å; L62-V95 HydrophobicContact CD2-CG1 3.73Å; C93-V95 WeakPolarHBondContact CB-O 3.5Å; C93-V95 PolarHBondContact O-N 3.26Å; V95-N97 WeakPolarHBondContact CG1-OD1 3.4Å; V95-A339 HydrophobicContact CB-CB 4.12Å; V95-A339 HydrophobicContact CG2-CB 4.05Å; V95-N342 WeakPolarHBondContact CG1-ND2 3.36Å
96N97.6Very high96.2Very high95 Ų9562.3 Ų62.351%0.50832%0.315SS..  trans-133.113.6-167.163.81.2000114F90 C93 C98F90-N96 HydrophobicContact CB-CB 4.47Å; F90-N96 WeakPolarHBondContact O-CB 3.17Å; C93-N96 HydrophobicContact CB-CB 4.42Å; C93-N96 WeakPolarHBondContact O-CB 3.28Å; N96-C98 PolarHBondContact O-N 3.02Å
97N98Very high96.2Very high21 Ų2162 Ų6211%0.11231%0.314CS..  trans-76.835.1175.969-44.1000112.6R63 V66 L67 V95 N342R63-N97 PolarHBondContact O-ND2 3.33Å; V66-N97 CarbonylContact C-O 3.58Å; V66-N97 WeakPolarHBondContact CA-O 3.33Å; L67-N97 PolarHBondContact N-O 3.34Å; V95-N97 WeakPolarHBondContact CG1-OD1 3.4Å; N97-N342 PolarHBondContact ND2-OD1 3.01Å; N97-N342 PolarHBondContact OD1-ND2 3.42Å; N97-N342 PolarHBondContact OD1-OD1 3.22Å
98C98.6Very high96.1Very high5 Ų560.8 Ų60.83%0.03431%0.312CS..EExtended strand (participates in β ladder)trans-123.9152.2177.6-53.10000111.2L67 I69 F90 N96 C338L67-C98 CarbonylContact O-C 3.54Å; L67-C98 WeakPolarHBondContact O-CA 3.47Å; I69-C98 HydrophobicContact CD1-CB 3.86Å; F90-C98 HydrophobicContact CD1-CB 3.97Å; F90-C98 HydrophobicContact CD2-CB 4.12Å; F90-C98 WeakPolarHBondContact CD2-O 3.34Å; F90-C98 HydrophobicContact CE1-CB 3.99Å; F90-C98 HydrophobicContact CE2-CB 4.17Å; F90-C98 HydrophobicContact CG-CB 4.04Å; F90-C98 HydrophobicContact CZ-CB 4.12Å; N96-C98 PolarHBondContact O-N 3.02Å; C98-C338 HydrophobicContact CB-CB 3.81Å; C98-C338 WeakPolarHBondContact CB-SG 3.45Å; C98-C338 WeakPolarHBondContact SG-CA 3Å; C98-C338 WeakPolarHBondContact SG-CB 3.37Å; C98-C338 CovalentContact SG-SG 2.04Å; C98-C338 PolarHBondContact SG-SG 2.97Å
99R98.3Very high96Very high171 Ų17163.9 Ų63.965%0.64532%0.318SS*.EExtended strand (participates in β ladder)trans-132.2149.6168.3-74.1-176.4-172.5-162.62109.7V66 L67 I69V66-R99 HydrophobicContact CG1-CB 4.01Å; V66-R99 HydrophobicContact CG1-CG 3.61Å; L67-R99 PolarHBondContact O-N 2.89Å; I69-R99 PolarHBondContact N-O 3.32Å
100A98Very high96Very high7 Ų762.5 Ų62.56%0.05831%0.311CS..EExtended strand (participates in β ladder)trans-100.2155.6172.300000110.4I69 L71 H86 L89 F90I69-A100 CarbonylContact O-C 3.17Å; I69-A100 VanDerWaalsContact O-CA 3.22Å; I69-A100 WeakPolarHBondContact O-CA 3.45Å; L71-A100 HydrophobicContact CD1-CB 3.89Å; L71-A100 HydrophobicContact CG-CB 4.1Å; H86-A100 HydrophobicContact CB-CB 3.99Å; H86-A100 PolarHBondContact CD2-O 3.07Å; L89-A100 HydrophobicContact CD1-CB 3.8Å; F90-A100 HydrophobicContact CE2-CB 4.03Å
101S96.8Very high95.9Very high7 Ų763.1 Ų63.15%0.04932%0.315CS..EExtended strand (participates in β ladder)trans-147.2139.9163.7179.40000109.4I69 S70 L71 H103 D106I69-S101 PolarHBondContact O-N 3.1Å; S70-S101 CarbonylContact C-O 3.48Å; S70-S101 WeakPolarHBondContact CA-O 3.48Å; L71-S101 PolarHBondContact N-O 3.17Å; S101-H103 PolarHBondContact OG-N 2.71Å; S101-H103 PolarHBondContact OG-ND1 3.36Å; S101-H103 VanDerWaalsContact OG-ND1 3.09Å; S101-D106 VanDerWaalsContact CB-OD2 3.28Å; S101-D106 WeakPolarHBondContact CB-OD2 3.44Å; S101-D106 PolarHBondContact OG-OD2 2.76Å
102H94.9Very high96Very high16 Ų1658.3 Ų58.37%0.07429%0.289CS..  trans-100.37.7173.560.9-82000113.2L71 E83 H86L71-H102 HydrophobicContact CB-CB 4.4Å; E83-H102 WeakPolarHBondContact CG-CE1 3.3Å; E83-H102 WeakPolarHBondContact CG-NE2 3.34Å; E83-H102 IonicContact OE1-CE1 3.07Å; E83-H102 IonicContact OE1-NE2 2.53Å; E83-H102 PolarHBondContact OE1-NE2 3.04Å; H86-H102 AromaticContact CE1-CE1 3.68Å; H86-H102 AromaticContact CE1-ND1 3.8Å; H86-H102 AromaticContact CG-ND1 3.99Å; H86-H102 AromaticContact ND1-CE1 3.61Å; H86-H102 AromaticContact ND1-ND1 3.44Å; H86-H102 PolarHBondContact ND1-ND1 2.69Å
103H93.9Very high96.1Very high71 Ų7151 Ų5133%0.32925%0.25SS..  trans-87.9130.5-179.2-55.292.1000111.4S101 K105 D106S101-H103 PolarHBondContact OG-N 2.71Å; S101-H103 PolarHBondContact OG-ND1 3.36Å; S101-H103 VanDerWaalsContact OG-ND1 3.09Å; H103-K105 HydrophobicContact CB-CG 4.02Å; H103-K105 PolarHBondContact O-N 3.12Å; H103-K105 VanDerWaalsContact O-N 3.13Å; H103-D106 IonicContact ND1-OD2 3.71Å; H103-D106 WeakPolarHBondContact O-CB 3.42Å; H103-D106 PolarHBondContact O-N 2.92Å
104D91.4Very high96.1Very high107 Ų10750.7 Ų50.757%0.57225%0.248SC*.G310 helixtrans-58.2-32.5-178.6-65.4-25.1000113.4D106 I107D104-D106 PolarHBondContact O-N 2.91Å; D104-I107 HydrophobicContact CB-CD1 4.15Å; D104-I107 WeakPolarHBondContact O-CB 3.4Å; D104-I107 WeakPolarHBondContact O-CD1 3.32Å; D104-I107 VanDerWaalsContact O-CG1 3.25Å; D104-I107 WeakPolarHBondContact O-CG1 3.33Å; D104-I107 PolarHBondContact O-N 2.98Å; D104-I107 VanDerWaalsContact O-N 3.13Å
105K92.1Very high96.1Very high157 Ų15746.7 Ų46.768%0.68322%0.222SC*.G310 helixtrans-60.7-16.7177.472.1-175.1-179.9-175.50114.3H103H103-K105 HydrophobicContact CB-CG 4.02Å; H103-K105 PolarHBondContact O-N 3.12Å; H103-K105 VanDerWaalsContact O-N 3.13Å
106D93.6Very high95.9Very high30 Ų3047.8 Ų47.816%0.1623%0.225CC..G310 helixtrans-95.5-9.8-177.3-66.8-29.8000112.6L68 S101 H103 D104 D108 K109 A110L68-D106 HydrophobicContact CD2-CB 4.2Å; S101-D106 VanDerWaalsContact CB-OD2 3.28Å; S101-D106 WeakPolarHBondContact CB-OD2 3.44Å; S101-D106 PolarHBondContact OG-OD2 2.76Å; H103-D106 IonicContact ND1-OD2 3.71Å; H103-D106 WeakPolarHBondContact O-CB 3.42Å; H103-D106 PolarHBondContact O-N 2.92Å; D104-D106 PolarHBondContact O-N 2.91Å; D106-D108 VanDerWaalsContact C-N 3.33Å; D106-D108 PolarHBondContact O-N 3.32Å; D106-K109 PolarHBondContact O-N 3.27Å; D106-A110 PolarHBondContact O-N 2.64Å
107I94.5Very high95.7Very high15 Ų1544.2 Ų44.28%0.07721%0.209CC..THydrogen-bonded Turntrans-56.4-46.6180-65.9168.1000111.1F72 D104 K109 A110 I113 P120 M122 Q129F72-I107 HydrophobicContact CD2-CD1 3.51Å; F72-I107 HydrophobicContact CD2-CG1 4.37Å; F72-I107 HydrophobicContact CE2-CD1 3.65Å; D104-I107 HydrophobicContact CB-CD1 4.15Å; D104-I107 WeakPolarHBondContact O-CB 3.4Å; D104-I107 WeakPolarHBondContact O-CD1 3.32Å; D104-I107 VanDerWaalsContact O-CG1 3.25Å; D104-I107 WeakPolarHBondContact O-CG1 3.33Å; D104-I107 PolarHBondContact O-N 2.98Å; D104-I107 VanDerWaalsContact O-N 3.13Å; I107-K109 PolarHBondContact O-N 3.23Å; I107-K109 VanDerWaalsContact O-N 3.16Å; I107-A110 PolarHBondContact O-N 2.66Å; I107-I113 HydrophobicContact CG2-CD1 3.85Å; I107-I113 HydrophobicContact CG2-CG1 4.38Å; I107-P120 HydrophobicContact CD1-CB 4.24Å; I107-P120 HydrophobicContact CG2-CB 4.5Å; I107-M122 HydrophobicContact CG2-CE 4.43Å; I107-Q129 PolarHBondContact O-NE2 2.9Å
108D93.1Very high95.6Very high107 Ų10746.6 Ų46.657%0.57222%0.224SC*.THydrogen-bonded Turntrans-69.4-11.4-178.4-72.6-17.8000113.5D106 R126D106-D108 VanDerWaalsContact C-N 3.33Å; D106-D108 PolarHBondContact O-N 3.32Å; D108-R126 PolarHBondContact O-NH1 3.5Å
109K93.9Very high95.4Very high142 Ų14247.2 Ų47.262%0.61723%0.229SC*.THydrogen-bonded Turntrans-106.1-22177-64.8177.5-174170.50112.5L68 D106 I107 R126L68-K109 HydrophobicContact CD2-CB 3.97Å; D106-K109 PolarHBondContact O-N 3.27Å; I107-K109 PolarHBondContact O-N 3.23Å; I107-K109 VanDerWaalsContact O-N 3.16Å; K109-R126 PolarHBondContact O-NH2 2.92Å
110A96.5Very high95.2Very high0 Ų039.7 Ų39.70%020%0.202CC..  trans-59.5142-176.400000112.7L68 D106 I107 I113 R126 Q129L68-A110 HydrophobicContact CD2-CB 4.47Å; L68-A110 HydrophobicContact CG-CB 4.18Å; L68-A110 CarbonylContact O-C 3.57Å; L68-A110 WeakPolarHBondContact O-CA 3.3Å; D106-A110 PolarHBondContact O-N 2.64Å; I107-A110 PolarHBondContact O-N 2.66Å; A110-I113 HydrophobicContact CB-CG1 3.93Å; A110-R126 PolarHBondContact O-NH2 3.05Å; A110-R126 VanDerWaalsContact O-NH2 3.16Å; A110-Q129 WeakPolarHBondContact O-CG 3.08Å; A110-Q129 PolarHBondContact O-NE2 3Å
111D97.5Very high94.8Very high20 Ų2045.9 Ų45.911%0.10724%0.239CC..SBendtrans-79.1-32.1169-66-89.3000111.5R63 L67 L68 Q129 I130R63-D111 IonicContact CZ-OD1 3.18Å; R63-D111 IonicContact NH1-OD1 3.27Å; R63-D111 IonicContact NH2-OD1 3.66Å; R63-D111 PolarHBondContact NH2-OD1 3.17Å; L67-D111 VanDerWaalsContact CA-OD2 3.29Å; L67-D111 WeakPolarHBondContact CA-OD2 3.46Å; L67-D111 HydrophobicContact CB-CB 4.41Å; L67-D111 HydrophobicContact CD2-CB 4.34Å; L68-D111 PolarHBondContact N-OD2 3.33Å; L68-D111 PolarHBondContact O-N 3.06Å; D111-Q129 WeakPolarHBondContact O-CA 3.47Å; D111-I130 PolarHBondContact O-N 3.31Å
112A97.9Very high94.3Very high0 Ų047.1 Ų47.10%025%0.245CC..EExtended strand (participates in β ladder)trans-134.8142.417500000110.9L68 I69 S70 I130 I132 L341L68-A112 PolarHBondContact O-N 3.22Å; I69-A112 CarbonylContact C-O 3.5Å; I69-A112 WeakPolarHBondContact CA-O 3.47Å; I69-A112 HydrophobicContact CG1-CB 4.33Å; S70-A112 PolarHBondContact N-O 3.43Å; A112-I130 CarbonylContact C-O 3.55Å; A112-I130 VanDerWaalsContact CA-O 3.25Å; A112-I130 WeakPolarHBondContact CA-O 3.43Å; A112-I130 HydrophobicContact CB-CB 4.38Å; A112-I132 HydrophobicContact CB-CD1 4.21Å; A112-L341 HydrophobicContact CB-CD1 3.76Å; A112-L341 HydrophobicContact CB-CD2 3.65Å; A112-L341 HydrophobicContact CB-CG 4.37Å
113I97.6Very high93.5Very high0 Ų052.3 Ų52.30%028%0.278CS..EExtended strand (participates in β ladder)trans-128.5116.4-179.3-58.8155.1000107.5F72 I107 A110 P120 M122 I130 L131 I132F72-I113 HydrophobicContact CB-CG2 4.37Å; I107-I113 HydrophobicContact CG2-CD1 3.85Å; I107-I113 HydrophobicContact CG2-CG1 4.38Å; A110-I113 HydrophobicContact CB-CG1 3.93Å; I113-P120 HydrophobicContact CG2-CG 3.87Å; I113-M122 HydrophobicContact CD1-CE 3.23Å; I113-M122 HydrophobicContact CD1-SD 3.7Å; I113-I130 PolarHBondContact N-O 3.04Å; I113-L131 HydrophobicContact CB-CD1 4.02Å; I113-L131 HydrophobicContact CG2-CD1 4Å; I113-I132 PolarHBondContact O-N 2.83Å
114L97.9Very high92.8Very high0 Ų055.5 Ų55.50%030%0.297CS..EExtended strand (participates in β ladder)trans-99.8139.4175.1-66.172.4000109.4I69 S70 F72 W78 I132 F333 W334 L337I69-L114 HydrophobicContact CG2-CD1 3.4Å; S70-L114 PolarHBondContact O-N 3.12Å; F72-L114 WeakPolarHBondContact CB-O 3.39Å; F72-L114 PolarHBondContact N-O 3.25Å; W78-L114 HydrophobicContact CH2-CB 3.28Å; W78-L114 HydrophobicContact CH2-CD2 3.87Å; W78-L114 HydrophobicContact CH2-CG 4.23Å; W78-L114 HydrophobicContact CZ2-CB 3.58Å; W78-L114 WeakPolarHBondContact CZ2-O 3.39Å; W78-L114 HydrophobicContact CZ3-CB 4.06Å; W78-L114 HydrophobicContact CZ3-CD2 3.77Å; L114-I132 WeakPolarHBondContact CA-O 3.16Å; L114-I132 HydrophobicContact CD1-CD1 4.07Å; L114-I132 HydrophobicContact CG-CB 4.03Å; L114-I132 HydrophobicContact CG-CD1 4.24Å; L114-I132 HydrophobicContact CG-CG2 4.35Å; L114-F333 HydrophobicContact CD2-CE1 3.99Å; L114-F333 HydrophobicContact CD2-CZ 3.84Å; L114-W334 HydrophobicContact CD2-CH2 4.47Å; L114-W334 HydrophobicContact CD2-CZ3 4.14Å; L114-L337 HydrophobicContact CD1-CD2 3.99Å; L114-L337 HydrophobicContact CD2-CD2 4.23Å
115F97.1Very high92.6Very high0 Ų054.3 Ų54.30%029%0.285CS..EExtended strand (participates in β ladder)trans-140.6154.1172.772.2-79.3000110.5F72 A119 L131 I132 F133 S134 I146 I149 V151F72-F115 HydrophobicContact CB-CB 4.24Å; F72-F115 HydrophobicContact CD1-CB 3.87Å; F115-A119 HydrophobicContact CD2-CB 4.16Å; F115-A119 HydrophobicContact CE1-CB 4.3Å; F115-A119 HydrophobicContact CE2-CB 3.88Å; F115-A119 HydrophobicContact CG-CB 4.47Å; F115-A119 HydrophobicContact CZ-CB 3.96Å; F115-L131 HydrophobicContact CD1-CD1 3.62Å; F115-L131 HydrophobicContact CD1-CG 4.17Å; F115-L131 HydrophobicContact CE1-CD1 3.79Å; F115-L131 HydrophobicContact CE1-CD2 4.21Å; F115-L131 HydrophobicContact CE1-CG 3.8Å; F115-I132 VanDerWaalsContact CD1-O 3.26Å; F115-I132 WeakPolarHBondContact CD1-O 3.46Å; F115-I132 PolarHBondContact N-O 3.16Å; F115-I132 VanDerWaalsContact N-O 3.08Å; F115-F133 HydrophobicContact CD2-CD2 4.44Å; F115-F133 HydrophobicContact CE1-CB 4.08Å; F115-F133 AromaticContact CE2-CD2 3.81Å; F115-F133 HydrophobicContact CE2-CD2 3.81Å; F115-F133 HydrophobicContact CZ-CB 3.87Å; F115-F133 AromaticContact CZ-CD2 3.97Å; F115-F133 HydrophobicContact CZ-CD2 3.97Å; F115-F133 HydrophobicContact CZ-CG 4.39Å; F115-S134 PolarHBondContact O-N 3.29Å; F115-I146 HydrophobicContact CE2-CG2 3.81Å; F115-I149 HydrophobicContact CZ-CG2 4.19Å; F115-V151 HydrophobicContact CE1-CG1 3.72Å; F115-V151 HydrophobicContact CZ-CG1 3.75Å
116R95.5Very high92.5Very high33 Ų3350.4 Ų50.413%0.12527%0.265CS..SBendtrans-111.9-42.9179.8-58.8-175.4172.6-173.8-7.3114.3E73 R77 W78 D79 F133 S134E73-R116 WeakPolarHBondContact OE2-CA 3.39Å; E73-R116 VanDerWaalsContact OE2-CB 3.3Å; E73-R116 WeakPolarHBondContact OE2-CB 3.25Å; E73-R116 PolarHBondContact OE2-N 3.12Å; R77-R116 PolarHBondContact O-NE 3.47Å; R77-R116 PolarHBondContact O-NH1 2.79Å; W78-R116 HydrophobicContact CH2-CG 3.75Å; W78-R116 HydrophobicContact CZ2-CG 4.05Å; W78-R116 HydrophobicContact CZ3-CG 4.23Å; D79-R116 IonicContact OD2-CZ 3.8Å; D79-R116 IonicContact OD2-NH1 2.82Å; D79-R116 PolarHBondContact OD2-NH1 3.19Å; D79-R116 IonicContact OD2-NH2 4Å; D79-R116 PolarHBondContact OD2-NH2 3.01Å; R116-F133 WeakPolarHBondContact O-CE2 3.17Å; R116-S134 VanDerWaalsContact CA-O 3.23Å; R116-S134 WeakPolarHBondContact CA-O 3.44Å; R116-S134 WeakPolarHBondContact CB-O 3.37Å; R116-S134 WeakPolarHBondContact CG-O 3.38Å
117A93.7Very high92.3Very high20 Ų2055.6 Ų55.617%0.16530%0.301CS..SBendtrans-109.5-49.2-174.600000113.7E73 R145E73-A117 WeakPolarHBondContact OE1-CA 3.19Å; E73-A117 VanDerWaalsContact OE1-CB 3.24Å; E73-A117 WeakPolarHBondContact OE1-CB 3.37Å; E73-A117 PolarHBondContact OE1-N 2.97Å; E73-A117 PolarHBondContact OE2-N 2.99Å; A117-R145 PolarHBondContact O-N 2.84Å
118V94.5Very high92.1Very high71 Ų7158.4 Ų58.443%0.4332%0.316SS..BIsolated β-bridgetrans-129.7132.7-178.2-174.70000109.3F72 E73 R145F72-V118 WeakPolarHBondContact CD1-O 3.39Å; F72-V118 VanDerWaalsContact CE1-O 3.26Å; F72-V118 WeakPolarHBondContact CE1-O 3.41Å; E73-V118 PolarHBondContact OE1-N 3.31Å; V118-R145 HydrophobicContact CG2-CB 4.43Å
119A94.7Very high92.3Very high17 Ų1753.4 Ų53.414%0.1429%0.289CS..  trans-69142174.900000110.6F115 I149F115-A119 HydrophobicContact CD2-CB 4.16Å; F115-A119 HydrophobicContact CE1-CB 4.3Å; F115-A119 HydrophobicContact CE2-CB 3.88Å; F115-A119 HydrophobicContact CG-CB 4.47Å; F115-A119 HydrophobicContact CZ-CB 3.96Å; A119-I149 HydrophobicContact CB-CD1 4.38Å; A119-I149 HydrophobicContact CB-CG1 4.43Å; A119-I149 HydrophobicContact CB-CG2 3.73Å
120P94Very high92.4Very high14 Ų1447.2 Ų47.29%0.09126%0.263CS..  trans-63.5145.7175.225.3-31.5000110.8F72 I107 I113 M122 L131F72-P120 HydrophobicContact CD1-CB 4.13Å; F72-P120 HydrophobicContact CD1-CG 4.24Å; F72-P120 HydrophobicContact CD2-CB 4.1Å; F72-P120 HydrophobicContact CE1-CB 3.91Å; F72-P120 HydrophobicContact CE1-CG 4.44Å; F72-P120 HydrophobicContact CE2-CB 3.87Å; F72-P120 HydrophobicContact CG-CB 4.23Å; F72-P120 HydrophobicContact CG-CG 4.33Å; F72-P120 HydrophobicContact CZ-CB 3.78Å; I107-P120 HydrophobicContact CD1-CB 4.24Å; I107-P120 HydrophobicContact CG2-CB 4.5Å; I113-P120 HydrophobicContact CG2-CG 3.87Å; P120-M122 HydrophobicContact CB-CG 4.4Å; P120-M122 HydrophobicContact CG-CG 4.23Å; P120-M122 HydrophobicContact CG-SD 4.38Å; P120-M122 PolarHBondContact O-N 2.81Å; P120-L131 HydrophobicContact CG-CD1 4.37Å
121T90.7Very high92.5Very high136 Ų13647.6 Ų47.683%0.83427%0.265SS*.  trans-75.9110.9170.4-59.20000108.5
122M85.3Confident92.5Very high33 Ų3346.7 Ų46.716%0.16326%0.26CS..  trans-111.299.3-178.6-58.3-18072.900109.8I107 I113 P120 N124 R125I107-M122 HydrophobicContact CG2-CE 4.43Å; I113-M122 HydrophobicContact CD1-CE 3.23Å; I113-M122 HydrophobicContact CD1-SD 3.7Å; P120-M122 HydrophobicContact CB-CG 4.4Å; P120-M122 HydrophobicContact CG-CG 4.23Å; P120-M122 HydrophobicContact CG-SD 4.38Å; P120-M122 PolarHBondContact O-N 2.81Å; M122-N124 PolarHBondContact O-N 2.81Å; M122-R125 HydrophobicContact CB-CB 3.94Å; M122-R125 HydrophobicContact CE-CB 3.85Å; M122-R125 HydrophobicContact CE-CG 3.58Å; M122-R125 HydrophobicContact SD-CB 4.3Å; M122-R125 HydrophobicContact SD-CG 4.09Å
123V77.9Confident92.5Very high126 Ų12646.7 Ų46.776%0.76426%0.26SS*.THydrogen-bonded Turntrans-65.6-39.3-176.2-179.40000111.6
124N79.6Confident92.5Very high138 Ų13846.8 Ų46.874%0.73826%0.261SS*.THydrogen-bonded Turntrans-132.563.4-180-70.8-40.5000110.4M122 R126M122-N124 PolarHBondContact O-N 2.81Å; N124-R126 PolarHBondContact O-N 2.93Å
125R86.3Confident92.4Very high82 Ų8247.2 Ų47.231%0.30926%0.264SS..  trans-59.1124.7176178.6170.5179.7-167.6-3.9110.4M122 Q129 L131 N152M122-R125 HydrophobicContact CB-CB 3.94Å; M122-R125 HydrophobicContact CE-CB 3.85Å; M122-R125 HydrophobicContact CE-CG 3.58Å; M122-R125 HydrophobicContact SD-CB 4.3Å; M122-R125 HydrophobicContact SD-CG 4.09Å; R125-Q129 HydrophobicContact CG-CB 4.43Å; R125-Q129 PolarHBondContact NH2-O 3.09Å; R125-L131 VanDerWaalsContact NH2-CB 3.27Å; R125-L131 VanDerWaalsContact NH2-N 3.16Å; R125-N152 PolarHBondContact NH2-OD1 2.84Å
126R90.3Very high92.3Very high74 Ų7449 Ų4928%0.27927%0.273SS..  trans-73.1144.1175.5-43.4-172.7-55.9-86.91.5110.1D108 K109 A110 N124 D128 Q129D108-R126 PolarHBondContact O-NH1 3.5Å; K109-R126 PolarHBondContact O-NH2 2.92Å; A110-R126 PolarHBondContact O-NH2 3.05Å; A110-R126 VanDerWaalsContact O-NH2 3.16Å; N124-R126 PolarHBondContact O-N 2.93Å; R126-D128 WeakPolarHBondContact CB-OD1 3.26Å; R126-D128 IonicContact CZ-OD2 2.81Å; R126-D128 IonicContact NE-OD1 3.8Å; R126-D128 PolarHBondContact NE-OD1 3.46Å; R126-D128 IonicContact NE-OD2 3.95Å; R126-D128 PolarHBondContact NE-OD2 3.07Å; R126-D128 IonicContact NH2-OD2 3.23Å; R126-D128 PolarHBondContact NH2-OD2 3.4Å; R126-D128 PolarHBondContact O-N 2.6Å; R126-D128 VanDerWaalsContact O-N 3.14Å; R126-Q129 HydrophobicContact CB-CG 4.01Å; R126-Q129 HydrophobicContact CG-CG 4.43Å; R126-Q129 PolarHBondContact O-N 3.31Å; R126-Q129 VanDerWaalsContact O-N 3.08Å
127P89.1Confident92.3Very high140 Ų14050.6 Ų50.691%0.90928%0.282SS*.THydrogen-bonded Turntrans-59.2-25.7-178.5-25.834.9000114.6
128D91.9Very high92.5Very high73 Ų7349.7 Ų49.739%0.3927%0.274SS..THydrogen-bonded Turntrans-82.8-10.218063-57.6000114R126R126-D128 WeakPolarHBondContact CB-OD1 3.26Å; R126-D128 IonicContact CZ-OD2 2.81Å; R126-D128 IonicContact NE-OD1 3.8Å; R126-D128 PolarHBondContact NE-OD1 3.46Å; R126-D128 IonicContact NE-OD2 3.95Å; R126-D128 PolarHBondContact NE-OD2 3.07Å; R126-D128 IonicContact NH2-OD2 3.23Å; R126-D128 PolarHBondContact NH2-OD2 3.4Å; R126-D128 PolarHBondContact O-N 2.6Å; R126-D128 VanDerWaalsContact O-N 3.14Å
129Q95.4Very high92.5Very high2 Ų247.1 Ų47.11%0.00926%0.259CS..  trans-76.6130.1179.9-62.9-173.5-75.300111.3I107 A110 D111 R125 R126I107-Q129 PolarHBondContact O-NE2 2.9Å; A110-Q129 WeakPolarHBondContact O-CG 3.08Å; A110-Q129 PolarHBondContact O-NE2 3Å; D111-Q129 WeakPolarHBondContact O-CA 3.47Å; R125-Q129 HydrophobicContact CG-CB 4.43Å; R125-Q129 PolarHBondContact NH2-O 3.09Å; R126-Q129 HydrophobicContact CB-CG 4.01Å; R126-Q129 HydrophobicContact CG-CG 4.43Å; R126-Q129 PolarHBondContact O-N 3.31Å; R126-Q129 VanDerWaalsContact O-N 3.08Å
130I97.1Very high92.4Very high13 Ų1349.1 Ų49.17%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-98.3108.1-179.5-63.6163.5000108.9D111 A112 I113 I132 N152 W153 L341 P344D111-I130 PolarHBondContact O-N 3.31Å; A112-I130 CarbonylContact C-O 3.55Å; A112-I130 VanDerWaalsContact CA-O 3.25Å; A112-I130 WeakPolarHBondContact CA-O 3.43Å; A112-I130 HydrophobicContact CB-CB 4.38Å; I113-I130 PolarHBondContact N-O 3.04Å; I130-I132 HydrophobicContact CG2-CD1 4.07Å; I130-I132 HydrophobicContact CG2-CG1 3.82Å; I130-N152 HydrophobicContact CG2-CB 4.08Å; I130-W153 HydrophobicContact CD1-CH2 3.73Å; I130-W153 HydrophobicContact CD1-CZ2 3.63Å; I130-W153 HydrophobicContact CD1-CZ3 4.35Å; I130-W153 HydrophobicContact CG1-CZ2 4.45Å; I130-W153 HydrophobicContact CG2-CB 4.36Å; I130-W153 HydrophobicContact CG2-CD2 3.42Å; I130-W153 VanDerWaalsContact CG2-CD2 3.42Å; I130-W153 HydrophobicContact CG2-CE3 3.68Å; I130-W153 HydrophobicContact CG2-CG 3.76Å; I130-W153 HydrophobicContact CG2-CH2 4.41Å; I130-W153 HydrophobicContact CG2-CZ2 4.18Å; I130-W153 HydrophobicContact CG2-CZ3 4.18Å; I130-L341 HydrophobicContact CB-CD2 4.43Å; I130-L341 HydrophobicContact CD1-CD2 3.51Å; I130-P344 HydrophobicContact CD1-CB 3.67Å; I130-P344 HydrophobicContact CD1-CG 4.49Å
131L97.5Very high92.4Very high8 Ų850 Ų504%0.04228%0.275CS..EExtended strand (participates in β ladder)trans-87.4128.6175-176.763.9000109.4I113 F115 P120 R125 V151 N152 W153I113-L131 HydrophobicContact CB-CD1 4.02Å; I113-L131 HydrophobicContact CG2-CD1 4Å; F115-L131 HydrophobicContact CD1-CD1 3.62Å; F115-L131 HydrophobicContact CD1-CG 4.17Å; F115-L131 HydrophobicContact CE1-CD1 3.79Å; F115-L131 HydrophobicContact CE1-CD2 4.21Å; F115-L131 HydrophobicContact CE1-CG 3.8Å; P120-L131 HydrophobicContact CG-CD1 4.37Å; R125-L131 VanDerWaalsContact NH2-CB 3.27Å; R125-L131 VanDerWaalsContact NH2-N 3.16Å; L131-V151 HydrophobicContact CD2-CG1 4.09Å; L131-V151 HydrophobicContact CG-CB 4.46Å; L131-V151 HydrophobicContact CG-CG1 4.15Å; L131-N152 PolarHBondContact N-OD1 3.1Å; L131-N152 VanDerWaalsContact N-OD1 3.12Å; L131-N152 PolarHBondContact O-N 3.47Å; L131-W153 PolarHBondContact O-N 2.93Å
132I98.4Very high92.4Very high0 Ų044.2 Ų44.20%024%0.239CC..EExtended strand (participates in β ladder)trans-125.4117.7-170.7-46.5-174.1000110A112 I113 L114 F115 I130 W153 A155 L337A112-I132 HydrophobicContact CB-CD1 4.21Å; I113-I132 PolarHBondContact O-N 2.83Å; L114-I132 WeakPolarHBondContact CA-O 3.16Å; L114-I132 HydrophobicContact CD1-CD1 4.07Å; L114-I132 HydrophobicContact CG-CB 4.03Å; L114-I132 HydrophobicContact CG-CD1 4.24Å; L114-I132 HydrophobicContact CG-CG2 4.35Å; F115-I132 VanDerWaalsContact CD1-O 3.26Å; F115-I132 WeakPolarHBondContact CD1-O 3.46Å; F115-I132 PolarHBondContact N-O 3.16Å; F115-I132 VanDerWaalsContact N-O 3.08Å; I130-I132 HydrophobicContact CG2-CD1 4.07Å; I130-I132 HydrophobicContact CG2-CG1 3.82Å; I132-W153 WeakPolarHBondContact CA-O 3.43Å; I132-W153 HydrophobicContact CD1-CB 4.47Å; I132-W153 HydrophobicContact CD1-CE3 3.84Å; I132-W153 HydrophobicContact CG1-CB 4.1Å; I132-W153 HydrophobicContact CG2-CB 4.2Å; I132-A155 HydrophobicContact CG2-CB 3.71Å; I132-L337 HydrophobicContact CD1-CD1 3.74Å
133F98.2Very high92.4Very high0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-80.7128.8169171.4-112.6000110.1F115 R116 I146 V151 W153 T154 A155 T156 I352 W356F115-F133 HydrophobicContact CD2-CD2 4.44Å; F115-F133 HydrophobicContact CE1-CB 4.08Å; F115-F133 AromaticContact CE2-CD2 3.81Å; F115-F133 HydrophobicContact CE2-CD2 3.81Å; F115-F133 HydrophobicContact CZ-CB 3.87Å; F115-F133 AromaticContact CZ-CD2 3.97Å; F115-F133 HydrophobicContact CZ-CD2 3.97Å; F115-F133 HydrophobicContact CZ-CG 4.39Å; R116-F133 WeakPolarHBondContact O-CE2 3.17Å; F133-I146 HydrophobicContact CD1-CD1 4.41Å; F133-I146 HydrophobicContact CD2-CD1 4.12Å; F133-I146 HydrophobicContact CD2-CG2 4.18Å; F133-I146 HydrophobicContact CE1-CD1 3.93Å; F133-I146 HydrophobicContact CE2-CD1 3.6Å; F133-I146 HydrophobicContact CE2-CG2 4.04Å; F133-I146 HydrophobicContact CG-CD1 4.49Å; F133-I146 HydrophobicContact CZ-CD1 3.49Å; F133-I146 VanDerWaalsContact CZ-CD1 3.49Å; F133-V151 HydrophobicContact CB-CG1 4.28Å; F133-V151 HydrophobicContact CB-CG2 4.36Å; F133-W153 PolarHBondContact N-O 3.2Å; F133-W153 VanDerWaalsContact N-O 3.14Å; F133-T154 CarbonylContact O-C 3.58Å; F133-T154 WeakPolarHBondContact O-CA 3.46Å; F133-A155 PolarHBondContact O-N 3.16Å; F133-T156 HydrophobicContact CD1-CG2 4.01Å; F133-T156 HydrophobicContact CE1-CG2 3.96Å; F133-I352 HydrophobicContact CB-CD1 4.4Å; F133-I352 HydrophobicContact CB-CG1 3.86Å; F133-I352 HydrophobicContact CD1-CD1 4.23Å; F133-I352 HydrophobicContact CD1-CG1 3.79Å; F133-I352 HydrophobicContact CG-CG1 3.92Å; F133-W356 HydrophobicContact CE1-CB 4.24Å; F133-W356 AromaticContact CE1-CD2 3.6Å; F133-W356 HydrophobicContact CE1-CD2 3.6Å; F133-W356 AromaticContact CE1-CE2 3.92Å; F133-W356 AromaticContact CE1-CE3 3.94Å; F133-W356 HydrophobicContact CE1-CE3 3.94Å; F133-W356 AromaticContact CE1-CG 3.74Å; F133-W356 HydrophobicContact CE1-CG 3.74Å; F133-W356 HydrophobicContact CE1-CZ2 4.46Å; F133-W356 HydrophobicContact CE1-CZ3 4.49Å; F133-W356 HydrophobicContact CZ-CD2 4.1Å; F133-W356 AromaticContact CZ-CE2 3.97Å; F133-W356 HydrophobicContact CZ-CG 4.14Å; F133-W356 HydrophobicContact CZ-CZ2 4.47Å; F133-W356 AromaticContact CZ-NE1 3.97Å
134S97.8Very high93Very high3 Ų344.9 Ų44.92%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-125135.6177.8-174.60000111.9F115 R116 A155F115-S134 PolarHBondContact O-N 3.29Å; R116-S134 VanDerWaalsContact CA-O 3.23Å; R116-S134 WeakPolarHBondContact CA-O 3.44Å; R116-S134 WeakPolarHBondContact CB-O 3.37Å; R116-S134 WeakPolarHBondContact CG-O 3.38Å; S134-A155 VanDerWaalsContact CA-O 3.23Å; S134-A155 WeakPolarHBondContact CA-O 3.5Å; S134-A155 WeakPolarHBondContact CB-O 3.33Å; S134-A155 PolarHBondContact OG-O 2.66Å
135S96.3Very high93.8Very high9 Ų948.2 Ų48.26%0.06324%0.238CC..EExtended strand (participates in β ladder)trans-153.3129.9172-175.30000110.9E137 A155 T156 Y157 W356S135-E137 PolarHBondContact OG-N 2.82Å; S135-E137 PolarHBondContact OG-O 3.32Å; S135-A155 PolarHBondContact N-O 3.13Å; S135-T156 VanDerWaalsContact O-CA 3.24Å; S135-T156 WeakPolarHBondContact O-CA 3.44Å; S135-T156 VanDerWaalsContact O-CB 3.31Å; S135-T156 WeakPolarHBondContact O-CB 3.34Å; S135-Y157 PolarHBondContact O-N 2.76Å; S135-W356 WeakPolarHBondContact OG-CZ2 3.42Å
136L94.8Very high94.2Very high37 Ų3744.3 Ų44.319%0.19422%0.223CC..SBendtrans-90.6-24.3167.7-59.2-175.8000111.7Y157 T165 Y167 Y255L136-Y157 WeakPolarHBondContact O-CD1 3.2Å; L136-T165 HydrophobicContact CD2-CG2 3.68Å; L136-T165 WeakPolarHBondContact CD2-O 3.39Å; L136-Y167 HydrophobicContact CB-CE2 4.1Å; L136-Y167 VanDerWaalsContact O-CE2 3.28Å; L136-Y167 WeakPolarHBondContact O-CE2 3.27Å; L136-Y167 PolarHBondContact O-OH 3.26Å; L136-Y255 WeakPolarHBondContact O-CE2 3.3Å
137E95.7Very high94.5Very high67 Ų6746.5 Ų46.531%0.31324%0.241SC..SBendtrans-84.1149.1178.8-74.8-62.2166.200112.1S135 N141 Y157 Y255 W356S135-E137 PolarHBondContact OG-N 2.82Å; S135-E137 PolarHBondContact OG-O 3.32Å; E137-N141 HydrophobicContact CB-CB 4.35Å; E137-Y157 WeakPolarHBondContact O-CE1 3.37Å; E137-Y255 PolarHBondContact OE2-OH 3.18Å; E137-W356 WeakPolarHBondContact O-CH2 3.29Å; E137-W356 WeakPolarHBondContact O-CZ2 3.15Å
138A96.4Very high94.8Very high0 Ų042.1 Ų42.10%022%0.221CC..  trans-68.1156.8174.400000112.2P140 N141 S142 Y157 C252 Y255A138-P140 VanDerWaalsContact C-CD 3.45Å; A138-P140 VanDerWaalsContact C-N 3.34Å; A138-P140 VanDerWaalsContact O-N 3.13Å; A138-N141 CarbonylContact O-C 3.26Å; A138-N141 WeakPolarHBondContact O-CA 3.34Å; A138-N141 PolarHBondContact O-N 3.4Å; A138-S142 PolarHBondContact O-N 3.36Å; A138-Y157 HydrophobicContact CB-CE1 4.49Å; A138-C252 HydrophobicContact CB-CB 4.28Å; A138-Y255 HydrophobicContact CB-CD1 3.98Å; A138-Y255 HydrophobicContact CB-CD2 3.77Å; A138-Y255 HydrophobicContact CB-CE1 4.02Å; A138-Y255 HydrophobicContact CB-CE2 3.8Å; A138-Y255 HydrophobicContact CB-CG 3.84Å; A138-Y255 VanDerWaalsContact N-CE2 3.33Å
139P95.4Very high95Very high18 Ų1841 Ų4112%0.11721%0.214CC..Hα-helixtrans-49.3-41.7-177.2-26.831000115.9N141 S142 Y157 W356 S357 I361P139-N141 PolarHBondContact O-N 3.17Å; P139-N141 VanDerWaalsContact O-N 3.14Å; P139-S142 PolarHBondContact O-N 3.37Å; P139-S142 PolarHBondContact O-OG 3.24Å; P139-Y157 WeakPolarHBondContact CD-OH 3.3Å; P139-W356 HydrophobicContact CG-CD2 4.38Å; P139-W356 HydrophobicContact CG-CZ2 4.29Å; P139-S357 WeakPolarHBondContact CB-OG 3.49Å; P139-I361 HydrophobicContact CG-CG2 4.36Å
140P93.1Very high95Very high58 Ų5843.7 Ų43.738%0.37723%0.231SC..Hα-helixtrans-63.5-20.3177.2-23.635.4000114.8A138 A200A138-P140 VanDerWaalsContact C-CD 3.45Å; A138-P140 VanDerWaalsContact C-N 3.34Å; A138-P140 VanDerWaalsContact O-N 3.13Å; P140-A200 HydrophobicContact CB-CB 4.06Å; P140-A200 HydrophobicContact CG-CB 4.38Å
141N93.3Very high95Very high34 Ų3443.1 Ų43.118%0.18223%0.228CC..Hα-helixtrans-116.5-5.4-176.2-54.6-52.4000113.3E137 A138 P139 H143 S250E137-N141 HydrophobicContact CB-CB 4.35Å; A138-N141 CarbonylContact O-C 3.26Å; A138-N141 WeakPolarHBondContact O-CA 3.34Å; A138-N141 PolarHBondContact O-N 3.4Å; P139-N141 PolarHBondContact O-N 3.17Å; P139-N141 VanDerWaalsContact O-N 3.14Å; N141-H143 VanDerWaalsContact C-N 3.34Å; N141-H143 PolarHBondContact O-CD2 3.04Å; N141-S250 PolarHBondContact ND2-OG 3.18Å
142S89.8Confident95Very high13 Ų1344.1 Ų44.19%0.09123%0.233CC..Hα-helixtrans-73.6-27.3-176.269.10000112.5A138 P139 S144 W356A138-S142 PolarHBondContact O-N 3.36Å; P139-S142 PolarHBondContact O-N 3.37Å; P139-S142 PolarHBondContact O-OG 3.24Å; S142-S144 PolarHBondContact O-N 2.53Å; S142-S144 PolarHBondContact OG-OG 3.48Å; S142-W356 PolarHBondContact OG-NE1 2.77Å
143H86.5Confident95Very high155 Ų15544.1 Ų44.172%0.71823%0.233SC*.  trans48.328.7-179.1-58.1-66.9000114.2N141N141-H143 VanDerWaalsContact C-N 3.34Å; N141-H143 PolarHBondContact O-CD2 3.04Å
144S91Very high95Very high19 Ų1944.1 Ų44.113%0.13323%0.233CC..  trans-80.4139.9-175.550.20000111.2S142S142-S144 PolarHBondContact O-N 2.53Å; S142-S144 PolarHBondContact OG-OG 3.48Å
145R94.8Very high95.1Very high207 Ų20744 Ų4478%0.78123%0.232SC*.BIsolated β-bridgetrans-102.876176.3-65.2-177.1-177.1179.31.3109.7A117 V118A117-R145 PolarHBondContact O-N 2.84Å; V118-R145 HydrophobicContact CG2-CB 4.43Å
146I95.8Very high95.1Very high1 Ų143.6 Ų43.61%0.00523%0.229CC..  trans-1225.5-167.966.8179.6000114F115 F133 G148 I149 I352 E353 W356F115-I146 HydrophobicContact CE2-CG2 3.81Å; F133-I146 HydrophobicContact CD1-CD1 4.41Å; F133-I146 HydrophobicContact CD2-CD1 4.12Å; F133-I146 HydrophobicContact CD2-CG2 4.18Å; F133-I146 HydrophobicContact CE1-CD1 3.93Å; F133-I146 HydrophobicContact CE2-CD1 3.6Å; F133-I146 HydrophobicContact CE2-CG2 4.04Å; F133-I146 HydrophobicContact CG-CD1 4.49Å; F133-I146 HydrophobicContact CZ-CD1 3.49Å; F133-I146 VanDerWaalsContact CZ-CD1 3.49Å; I146-G148 PolarHBondContact O-N 3.14Å; I146-I149 HydrophobicContact CB-CG1 4.49Å; I146-I149 WeakPolarHBondContact O-CB 3.49Å; I146-I149 WeakPolarHBondContact O-CG1 3.3Å; I146-I149 PolarHBondContact O-N 3.07Å; I146-I149 VanDerWaalsContact O-N 3.1Å; I146-I352 HydrophobicContact CB-CG2 3.65Å; I146-I352 HydrophobicContact CD1-CG2 3.99Å; I146-I352 HydrophobicContact CG1-CG2 3.95Å; I146-I352 WeakPolarHBondContact O-CG2 3.44Å; I146-E353 HydrophobicContact CG1-CB 4.23Å; I146-E353 WeakPolarHBondContact CG1-OE2 3.42Å; I146-W356 HydrophobicContact CD1-CB 4.2Å; I146-W356 HydrophobicContact CD1-CG 4.12Å
147N95.8Very high95.2Very high120 Ų12042 Ų4264%0.64222%0.221SC*.THydrogen-bonded Turntrans-62.7127.5175.2-175.635.2000111.3I149 N351 E353N147-I149 PolarHBondContact O-N 3.42Å; N147-N351 PolarHBondContact OD1-ND2 3.46Å; N147-E353 HydrophobicContact CB-CB 4.22Å; N147-E353 HydrophobicContact CB-CG 4.24Å
148G95.5Very high95.2Very high48 Ų4839.1 Ų39.150%0.49521%0.207SC..THydrogen-bonded Turntrans76.42.8-178.200000114.2I146 N351I146-G148 PolarHBondContact O-N 3.14Å; G148-N351 VanDerWaalsContact N-CG 3.34Å; G148-N351 PolarHBondContact N-ND2 2.02Å; G148-N351 PolarHBondContact N-OD1 3.27Å
149I96.3Very high95.2Very high49 Ų4940.5 Ų40.525%0.25121%0.213SC..  trans-81.5129175.9-57.1-56.4000109.7F115 A119 I146 N147 V151 I352F115-I149 HydrophobicContact CZ-CG2 4.19Å; A119-I149 HydrophobicContact CB-CD1 4.38Å; A119-I149 HydrophobicContact CB-CG1 4.43Å; A119-I149 HydrophobicContact CB-CG2 3.73Å; I146-I149 HydrophobicContact CB-CG1 4.49Å; I146-I149 WeakPolarHBondContact O-CB 3.49Å; I146-I149 WeakPolarHBondContact O-CG1 3.3Å; I146-I149 PolarHBondContact O-N 3.07Å; I146-I149 VanDerWaalsContact O-N 3.1Å; N147-I149 PolarHBondContact O-N 3.42Å; I149-V151 HydrophobicContact CG2-CG1 3.98Å; I149-I352 HydrophobicContact CB-CG2 4.08Å; I149-I352 WeakPolarHBondContact O-CG2 3.36Å; I149-I352 PolarHBondContact O-N 2.69Å
150T96Very high95.2Very high58 Ų5840.9 Ų40.936%0.35621%0.213SC..  trans-94.2125175.5-52.30000110.4V348 Y349 E350T150-V348 HydrophobicContact CG2-CG1 3.3Å; T150-Y349 WeakPolarHBondContact CA-O 3.23Å; T150-E350 PolarHBondContact OG1-O 3.36Å
151V97.3Very high95.4Very high1 Ų138.1 Ų38.11%0.00620%0.195CC..BIsolated β-bridgetrans-128.3163.1178.5-52.50000110.5F115 L131 F133 I149 V348 Y349 I352F115-V151 HydrophobicContact CE1-CG1 3.72Å; F115-V151 HydrophobicContact CZ-CG1 3.75Å; L131-V151 HydrophobicContact CD2-CG1 4.09Å; L131-V151 HydrophobicContact CG-CB 4.46Å; L131-V151 HydrophobicContact CG-CG1 4.15Å; F133-V151 HydrophobicContact CB-CG1 4.28Å; F133-V151 HydrophobicContact CB-CG2 4.36Å; I149-V151 HydrophobicContact CG2-CG1 3.98Å; V151-V348 WeakPolarHBondContact O-CA 3.32Å; V151-Y349 HydrophobicContact CG2-CD2 3.98Å; V151-Y349 HydrophobicContact CG2-CG 4.34Å; V151-Y349 PolarHBondContact N-O 3.28Å; V151-Y349 VanDerWaalsContact N-O 3.17Å; V151-Y349 PolarHBondContact O-N 2.96Å; V151-I352 HydrophobicContact CG1-CB 4.32Å; V151-I352 HydrophobicContact CG1-CG2 4.37Å; V151-I352 HydrophobicContact CG2-CB 3.92Å; V151-I352 HydrophobicContact CG2-CD1 3.64Å; V151-I352 HydrophobicContact CG2-CG1 3.79Å
152N98Very high95.6Very high29 Ų2936.5 Ų36.516%0.15519%0.187CC..SBendtrans-91.2-51.8174.3-57.292.1000111.1R125 I130 L131 K347 Y349R125-N152 PolarHBondContact NH2-OD1 2.84Å; I130-N152 HydrophobicContact CG2-CB 4.08Å; L131-N152 PolarHBondContact N-OD1 3.1Å; L131-N152 VanDerWaalsContact N-OD1 3.12Å; L131-N152 PolarHBondContact O-N 3.47Å; N152-K347 WeakPolarHBondContact CA-O 3.49Å; N152-K347 WeakPolarHBondContact CB-O 3.31Å; N152-K347 PolarHBondContact ND2-O 3.29Å; N152-K347 WeakPolarHBondContact O-CG 3.34Å; N152-Y349 VanDerWaalsContact O-CD2 3.26Å; N152-Y349 WeakPolarHBondContact O-CD2 3.43Å; N152-Y349 WeakPolarHBondContact O-CE2 3.12Å
153W98.4Very high96Very high1 Ų135.9 Ų35.90%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-121.2164.7-173.2-59.2-11.2000111.8W41 I130 L131 I132 F133 D162 I163 L337 L340 L341 P344 R345W41-W153 HydrophobicContact CH2-CD2 4.23Å; W41-W153 AromaticContact CH2-CE2 3.62Å; W41-W153 AromaticContact CH2-CH2 3.71Å; W41-W153 HydrophobicContact CH2-CH2 3.71Å; W41-W153 AromaticContact CH2-CZ2 3.36Å; W41-W153 HydrophobicContact CH2-CZ2 3.36Å; W41-W153 HydrophobicContact CH2-CZ3 4.27Å; W41-W153 HydrophobicContact CZ2-CZ2 4.26Å; W41-W153 HydrophobicContact CZ3-CD2 4.19Å; W41-W153 AromaticContact CZ3-CE2 3.83Å; W41-W153 HydrophobicContact CZ3-CZ2 4.07Å; W41-W153 AromaticContact CZ3-NE1 3.94Å; I130-W153 HydrophobicContact CD1-CH2 3.73Å; I130-W153 HydrophobicContact CD1-CZ2 3.63Å; I130-W153 HydrophobicContact CD1-CZ3 4.35Å; I130-W153 HydrophobicContact CG1-CZ2 4.45Å; I130-W153 HydrophobicContact CG2-CB 4.36Å; I130-W153 HydrophobicContact CG2-CD2 3.42Å; I130-W153 VanDerWaalsContact CG2-CD2 3.42Å; I130-W153 HydrophobicContact CG2-CE3 3.68Å; I130-W153 HydrophobicContact CG2-CG 3.76Å; I130-W153 HydrophobicContact CG2-CH2 4.41Å; I130-W153 HydrophobicContact CG2-CZ2 4.18Å; I130-W153 HydrophobicContact CG2-CZ3 4.18Å; L131-W153 PolarHBondContact O-N 2.93Å; I132-W153 WeakPolarHBondContact CA-O 3.43Å; I132-W153 HydrophobicContact CD1-CB 4.47Å; I132-W153 HydrophobicContact CD1-CE3 3.84Å; I132-W153 HydrophobicContact CG1-CB 4.1Å; I132-W153 HydrophobicContact CG2-CB 4.2Å; F133-W153 PolarHBondContact N-O 3.2Å; F133-W153 VanDerWaalsContact N-O 3.14Å; W153-D162 VanDerWaalsContact CA-OD2 3.31Å; W153-D162 WeakPolarHBondContact CA-OD2 3.26Å; W153-D162 HydrophobicContact CB-CB 3.93Å; W153-D162 HydrophobicContact CG-CB 4.27Å; W153-I163 HydrophobicContact CE3-CD1 4.2Å; W153-L337 HydrophobicContact CZ3-CD1 4.28Å; W153-L340 HydrophobicContact CH2-CB 4.25Å; W153-L340 HydrophobicContact CZ3-CB 4.21Å; W153-L341 HydrophobicContact CE3-CD2 4.42Å; W153-L341 HydrophobicContact CH2-CD2 3.67Å; W153-L341 HydrophobicContact CH2-CG 4.3Å; W153-L341 HydrophobicContact CZ3-CD2 3.48Å; W153-L341 VanDerWaalsContact CZ3-CD2 3.48Å; W153-L341 HydrophobicContact CZ3-CG 3.99Å; W153-P344 HydrophobicContact CH2-CB 4.01Å; W153-P344 HydrophobicContact CZ2-CB 3.63Å; W153-R345 PolarHBondContact NE1-O 2.7Å
154T98.3Very high96.6Very high0 Ų028.6 Ų28.60%015%0.149CC..EExtended strand (participates in β ladder)trans-126.6137178.452.10000110.4F133 S161 D162 I163 Y349 I352 W355F133-T154 CarbonylContact O-C 3.58Å; F133-T154 WeakPolarHBondContact O-CA 3.46Å; T154-S161 VanDerWaalsContact OG1-CA 3.24Å; T154-S161 WeakPolarHBondContact OG1-CA 3.34Å; T154-D162 PolarHBondContact N-OD2 3Å; T154-D162 WeakPolarHBondContact O-CB 3.18Å; T154-D162 PolarHBondContact O-N 3.03Å; T154-D162 VanDerWaalsContact O-N 3.15Å; T154-D162 PolarHBondContact OG1-N 3.19Å; T154-D162 PolarHBondContact OG1-OD2 3.03Å; T154-I163 PolarHBondContact O-N 3.26Å; T154-Y349 HydrophobicContact CG2-CD2 4.1Å; T154-Y349 HydrophobicContact CG2-CE1 4.33Å; T154-Y349 HydrophobicContact CG2-CE2 3.7Å; T154-Y349 PolarHBondContact OG1-OH 3.32Å; T154-I352 HydrophobicContact CG2-CD1 3.49Å; T154-I352 VanDerWaalsContact CG2-CD1 3.49Å; T154-W355 HydrophobicContact CG2-CD2 4.28Å; T154-W355 HydrophobicContact CG2-CE3 3.86Å; T154-W355 HydrophobicContact CG2-CH2 3.84Å; T154-W355 HydrophobicContact CG2-CZ2 4.26Å; T154-W355 HydrophobicContact CG2-CZ3 3.62Å
155A98.2Very high96.9Very high0 Ų028.5 Ų28.50%015%0.148CC..EExtended strand (participates in β ladder)trans-131.669-17900000110.3I132 F133 S134 S135 I163 F333I132-A155 HydrophobicContact CG2-CB 3.71Å; F133-A155 PolarHBondContact O-N 3.16Å; S134-A155 VanDerWaalsContact CA-O 3.23Å; S134-A155 WeakPolarHBondContact CA-O 3.5Å; S134-A155 WeakPolarHBondContact CB-O 3.33Å; S134-A155 PolarHBondContact OG-O 2.66Å; S135-A155 PolarHBondContact N-O 3.13Å; A155-I163 VanDerWaalsContact CA-O 3.29Å; A155-I163 WeakPolarHBondContact CA-O 3.42Å; A155-I163 HydrophobicContact CB-CB 4.39Å; A155-F333 HydrophobicContact CB-CE2 3.79Å; A155-F333 HydrophobicContact CB-CZ 3.92Å
156T97.5Very high96.9Very high0 Ų020 Ų200%012%0.12CC..EExtended strand (participates in β ladder)trans-124.6173.8-173.5850000111.8F133 S135 R158 S161 T165 W355 W356F133-T156 HydrophobicContact CD1-CG2 4.01Å; F133-T156 HydrophobicContact CE1-CG2 3.96Å; S135-T156 VanDerWaalsContact O-CA 3.24Å; S135-T156 WeakPolarHBondContact O-CA 3.44Å; S135-T156 VanDerWaalsContact O-CB 3.31Å; S135-T156 WeakPolarHBondContact O-CB 3.34Å; T156-R158 PolarHBondContact O-N 2.92Å; T156-R158 PolarHBondContact OG1-N 3.12Å; T156-R158 VanDerWaalsContact OG1-N 3.15Å; T156-S161 PolarHBondContact N-OG 3.24Å; T156-S161 PolarHBondContact O-OG 3.18Å; T156-S161 PolarHBondContact OG1-OG 3.17Å; T156-T165 PolarHBondContact O-N 2.84Å; T156-W355 HydrophobicContact CG2-CH2 4.05Å; T156-W355 HydrophobicContact CG2-CZ3 4.01Å; T156-W356 HydrophobicContact CG2-CE3 4.1Å; T156-W356 HydrophobicContact CG2-CH2 4.22Å; T156-W356 HydrophobicContact CG2-CZ3 3.66Å; T156-W356 WeakPolarHBondContact OG1-CZ3 3.44Å
157Y96.7Very high97Very high4 Ų422.7 Ų22.72%0.01613%0.13CC..SBendtrans-64.3-20.4174.968.6-100.6000113.7S135 L136 E137 A138 P139 T165 R253 D254 Y255 W356S135-Y157 PolarHBondContact O-N 2.76Å; L136-Y157 WeakPolarHBondContact O-CD1 3.2Å; E137-Y157 WeakPolarHBondContact O-CE1 3.37Å; A138-Y157 HydrophobicContact CB-CE1 4.49Å; P139-Y157 WeakPolarHBondContact CD-OH 3.3Å; Y157-T165 WeakPolarHBondContact CA-O 3.42Å; Y157-R253 VanDerWaalsContact CE2-O 3.27Å; Y157-R253 WeakPolarHBondContact CE2-O 3.41Å; Y157-D254 HydrophobicContact CD2-CB 4.23Å; Y157-D254 WeakPolarHBondContact CD2-O 3.15Å; Y157-D254 HydrophobicContact CE2-CB 4.37Å; Y157-Y255 AromaticContact CD1-CD2 3.78Å; Y157-Y255 HydrophobicContact CD1-CD2 3.78Å; Y157-Y255 HydrophobicContact CD1-CE2 4.36Å; Y157-Y255 HydrophobicContact CD2-CD2 4.19Å; Y157-Y255 AromaticContact CE1-CD2 3.52Å; Y157-Y255 HydrophobicContact CE1-CD2 3.52Å; Y157-Y255 HydrophobicContact CE1-CE2 4.19Å; Y157-Y255 HydrophobicContact CE1-CG 4.43Å; Y157-Y255 AromaticContact CE2-CD2 4Å; Y157-Y255 HydrophobicContact CE2-CD2 4Å; Y157-Y255 HydrophobicContact CE2-CG 4.27Å; Y157-Y255 HydrophobicContact CG-CD2 4.1Å; Y157-Y255 AromaticContact CZ-CD2 3.66Å; Y157-W356 AromaticContact CD1-CH2 3.99Å; Y157-W356 HydrophobicContact CD1-CH2 3.99Å; Y157-W356 AromaticContact CE1-CH2 3.36Å; Y157-W356 HydrophobicContact CE1-CH2 3.36Å; Y157-W356 HydrophobicContact CE1-CZ2 4.22Å; Y157-W356 HydrophobicContact CE1-CZ3 4.06Å; Y157-W356 AromaticContact CZ-CH2 3.97Å
158R96.1Very high97Very high6 Ų617.4 Ų17.42%0.02310%0.104CC..SBendtrans-66.2137.9-177.4-69.9173.753161.6-10.3111.7T156 D160 S161 W355 W356T156-R158 PolarHBondContact O-N 2.92Å; T156-R158 PolarHBondContact OG1-N 3.12Å; T156-R158 VanDerWaalsContact OG1-N 3.15Å; R158-D160 VanDerWaalsContact CB-OD1 3.3Å; R158-D160 WeakPolarHBondContact CB-OD1 3.09Å; R158-D160 IonicContact CZ-OD1 3.65Å; R158-D160 IonicContact CZ-OD2 3.28Å; R158-D160 IonicContact NE-OD1 2.98Å; R158-D160 PolarHBondContact NE-OD1 3.34Å; R158-D160 IonicContact NE-OD2 2.78Å; R158-D160 IonicContact NH2-OD1 2.76Å; R158-D160 PolarHBondContact NH2-OD1 2.83Å; R158-D160 IonicContact NH2-OD2 2.7Å; R158-D160 PolarHBondContact NH2-OD2 3.01Å; R158-D160 PolarHBondContact O-N 2.75Å; R158-S161 VanDerWaalsContact O-CB 3.27Å; R158-S161 WeakPolarHBondContact O-CB 3.37Å; R158-S161 PolarHBondContact O-N 3.27Å; R158-S161 PolarHBondContact O-OG 3.08Å; R158-W355 HydrophobicContact CB-CH2 4.42Å; R158-W355 PolarHBondContact NH1-O 2.98Å; R158-W355 PolarHBondContact NH2-O 2.99Å; R158-W356 HydrophobicContact CG-CZ3 4.12Å; R158-W356 PolarHBondContact NH1-O 2.91Å
159R95.5Very high97.1Very high30 Ų3016.1 Ų16.111%0.1139%0.085CC..THydrogen-bonded Turntrans-68.6-20.5-175.7-61.517972.1-124.6-8.9112.8N47 S48 R50 S161 V164 D254 Q283N47-R159 PolarHBondContact O-NH1 2.78Å; N47-R159 PolarHBondContact O-NH2 3.38Å; S48-R159 VanDerWaalsContact O-O 3.1Å; R50-R159 PolarHBondContact NH1-O 3.4Å; R50-R159 PolarHBondContact NH2-O 2.64Å; R159-S161 VanDerWaalsContact C-N 3.32Å; R159-V164 WeakPolarHBondContact O-CG2 3.48Å; R159-D254 HydrophobicContact CG-CB 4.15Å; R159-D254 PolarHBondContact N-OD2 2.92Å; R159-Q283 VanDerWaalsContact NH1-CD 3.29Å
160D95.7Very high97.1Very high25 Ų2514.4 Ų14.413%0.1348%0.076CC..THydrogen-bonded Turntrans-87.37.9173.261.6-0.7000114.1R158 R253 W355R158-D160 VanDerWaalsContact CB-OD1 3.3Å; R158-D160 WeakPolarHBondContact CB-OD1 3.09Å; R158-D160 IonicContact CZ-OD1 3.65Å; R158-D160 IonicContact CZ-OD2 3.28Å; R158-D160 IonicContact NE-OD1 2.98Å; R158-D160 PolarHBondContact NE-OD1 3.34Å; R158-D160 IonicContact NE-OD2 2.78Å; R158-D160 IonicContact NH2-OD1 2.76Å; R158-D160 PolarHBondContact NH2-OD1 2.83Å; R158-D160 IonicContact NH2-OD2 2.7Å; R158-D160 PolarHBondContact NH2-OD2 3.01Å; R158-D160 PolarHBondContact O-N 2.75Å; D160-R253 IonicContact OD2-CZ 3.37Å; D160-R253 IonicContact OD2-NH1 3.58Å; D160-R253 PolarHBondContact OD2-NH1 3.08Å; D160-R253 IonicContact OD2-NH2 2.86Å; D160-R253 PolarHBondContact OD2-NH2 2.54Å; D160-W355 WeakPolarHBondContact OD1-CZ2 3.28Å
161S97.4Very high97.1Very high0 Ų012 Ų120%06%0.063CC..SBendtrans-71.8149.2172-50.70000112R50 T154 T156 R158 R159 I163R50-S161 PolarHBondContact NH2-O 2.62Å; T154-S161 VanDerWaalsContact OG1-CA 3.24Å; T154-S161 WeakPolarHBondContact OG1-CA 3.34Å; T156-S161 PolarHBondContact N-OG 3.24Å; T156-S161 PolarHBondContact O-OG 3.18Å; T156-S161 PolarHBondContact OG1-OG 3.17Å; R158-S161 VanDerWaalsContact O-CB 3.27Å; R158-S161 WeakPolarHBondContact O-CB 3.37Å; R158-S161 PolarHBondContact O-N 3.27Å; R158-S161 PolarHBondContact O-OG 3.08Å; R159-S161 VanDerWaalsContact C-N 3.32Å; S161-I163 PolarHBondContact O-N 3.45Å
162D97.9Very high97Very high0 Ų019.9 Ų19.90%09%0.093CC..THydrogen-bonded Turntrans-56-42.6173.7-62.8-75.1000112W41 Q54 W153 T154 K347 Y349W41-D162 HydrophobicContact CZ3-CB 4.25Å; Q54-D162 PolarHBondContact NE2-O 3.28Å; W153-D162 VanDerWaalsContact CA-OD2 3.31Å; W153-D162 WeakPolarHBondContact CA-OD2 3.26Å; W153-D162 HydrophobicContact CB-CB 3.93Å; W153-D162 HydrophobicContact CG-CB 4.27Å; T154-D162 PolarHBondContact N-OD2 3Å; T154-D162 WeakPolarHBondContact O-CB 3.18Å; T154-D162 PolarHBondContact O-N 3.03Å; T154-D162 VanDerWaalsContact O-N 3.15Å; T154-D162 PolarHBondContact OG1-N 3.19Å; T154-D162 PolarHBondContact OG1-OD2 3.03Å; D162-K347 VanDerWaalsContact OD1-CD 3.29Å; D162-K347 WeakPolarHBondContact OD1-CD 3.45Å; D162-K347 WeakPolarHBondContact OD1-CE 3.45Å; D162-K347 IonicContact OD1-NZ 2.7Å; D162-K347 PolarHBondContact OD1-NZ 3.42Å; D162-K347 IonicContact OD2-NZ 2.85Å; D162-Y349 VanDerWaalsContact OD2-CE2 3.23Å; D162-Y349 WeakPolarHBondContact OD2-CE2 3.42Å; D162-Y349 PolarHBondContact OD2-OH 3.33Å
163I98Very high96.6Very high0 Ų021 Ų210%010%0.096CC..THydrogen-bonded Turntrans-125.591.8175-47.1177.3000108.5W153 T154 A155 S161 T165 F333 L337 L340W153-I163 HydrophobicContact CE3-CD1 4.2Å; T154-I163 PolarHBondContact O-N 3.26Å; A155-I163 VanDerWaalsContact CA-O 3.29Å; A155-I163 WeakPolarHBondContact CA-O 3.42Å; A155-I163 HydrophobicContact CB-CB 4.39Å; S161-I163 PolarHBondContact O-N 3.45Å; I163-T165 PolarHBondContact O-N 3.13Å; I163-T165 PolarHBondContact O-OG1 3.11Å; I163-F333 HydrophobicContact CB-CE2 4.06Å; I163-F333 HydrophobicContact CG2-CD2 3.6Å; I163-F333 HydrophobicContact CG2-CE2 3.48Å; I163-F333 VanDerWaalsContact CG2-CE2 3.48Å; I163-L337 HydrophobicContact CD1-CB 4Å; I163-L337 HydrophobicContact CD1-CD1 3.41Å; I163-L337 VanDerWaalsContact CD1-CD1 3.41Å; I163-L337 HydrophobicContact CD1-CG 4.28Å; I163-L340 HydrophobicContact CD1-CD1 4.14Å; I163-L340 HydrophobicContact CG1-CD1 3.8Å
164V97.9Very high95.9Very high2 Ų229.4 Ų29.41%0.01214%0.141CC..  trans-62.1124.8-179.2-170.70000109.5D49 I51 R159 P166 R336D49-V164 HydrophobicContact CB-CB 4.49Å; D49-V164 HydrophobicContact CB-CG1 4.29Å; D49-V164 HydrophobicContact CB-CG2 4.43Å; D49-V164 WeakPolarHBondContact O-CG2 3.41Å; I51-V164 HydrophobicContact CD1-CB 4.24Å; I51-V164 HydrophobicContact CD1-CG1 4.25Å; I51-V164 HydrophobicContact CG1-CB 4.23Å; R159-V164 WeakPolarHBondContact O-CG2 3.48Å; V164-P166 WeakPolarHBondContact O-CD 3.47Å; V164-R336 VanDerWaalsContact O-CZ 3.31Å; V164-R336 PolarHBondContact O-NH1 3.28Å; V164-R336 PolarHBondContact O-NH2 2.98Å
165T97.1Very high95.1Very high18 Ų1833.3 Ų33.311%0.1116%0.162CC..  trans-124.970.9-174.8-49.50000109.1L136 T156 Y157 I163 F333L136-T165 HydrophobicContact CD2-CG2 3.68Å; L136-T165 WeakPolarHBondContact CD2-O 3.39Å; T156-T165 PolarHBondContact O-N 2.84Å; Y157-T165 WeakPolarHBondContact CA-O 3.42Å; I163-T165 PolarHBondContact O-N 3.13Å; I163-T165 PolarHBondContact O-OG1 3.11Å; T165-F333 HydrophobicContact CG2-CD2 3.98Å; T165-F333 HydrophobicContact CG2-CE2 4.45Å; T165-F333 HydrophobicContact CG2-CG 4.33Å; T165-F333 WeakPolarHBondContact OG1-CD2 3.43Å; T165-F333 VanDerWaalsContact OG1-CE2 3.23Å; T165-F333 WeakPolarHBondContact OG1-CE2 3.25Å
166P96.7Very high94Very high29 Ų2945.1 Ų45.119%0.18821%0.207CC..  trans-77.6161.717936.1-33.3000110.1I51 V164 G168 T331I51-P166 HydrophobicContact CD1-CG 3.7Å; V164-P166 WeakPolarHBondContact O-CD 3.47Å; P166-G168 WeakPolarHBondContact CB-O 3.36Å; P166-G168 PolarHBondContact O-N 2.99Å; P166-T331 HydrophobicContact CG-CG2 4.13Å
167Y96.3Very high93.1Very high56 Ų5652.7 Ų52.722%0.2224%0.24CC..SBendtrans-66.7-20.6173.5-77-92.8000113.4L136 Y255 T257 E258L136-Y167 HydrophobicContact CB-CE2 4.1Å; L136-Y167 VanDerWaalsContact O-CE2 3.28Å; L136-Y167 WeakPolarHBondContact O-CE2 3.27Å; L136-Y167 PolarHBondContact O-OH 3.26Å; Y167-Y255 HydrophobicContact CE2-CE2 4.36Å; Y167-T257 HydrophobicContact CD2-CG2 3.87Å; Y167-T257 HydrophobicContact CE2-CG2 3.72Å; Y167-E258 HydrophobicContact CD1-CB 3.95Å; Y167-E258 WeakPolarHBondContact CD1-OE2 3.36Å; Y167-E258 WeakPolarHBondContact CE1-OE2 3.37Å
168G95.9Very high92.1Very high10 Ų1061.8 Ų61.810%0.10327%0.274CS..  trans-166.9164.5173.200000111.3P166 F261P166-G168 WeakPolarHBondContact CB-O 3.36Å; P166-G168 PolarHBondContact O-N 2.99Å; G168-F261 VanDerWaalsContact O-CZ 3.28Å; G168-F261 WeakPolarHBondContact O-CZ 3.36Å
169K97.2Very high91.4Very high20 Ų2063.5 Ų63.59%0.08729%0.287CS..EExtended strand (participates in β ladder)trans-137.3135.2173.8176.3166.1169.478.20109.1D49 I51 E52 L328 L329 T331D49-K169 IonicContact OD1-NZ 3.99Å; D49-K169 PolarHBondContact OD1-NZ 2.93Å; D49-K169 IonicContact OD2-NZ 3.97Å; D49-K169 PolarHBondContact OD2-NZ 2.98Å; I51-K169 HydrophobicContact CB-CD 3.77Å; I51-K169 HydrophobicContact CD1-CD 3.78Å; I51-K169 HydrophobicContact CG1-CD 4.34Å; I51-K169 HydrophobicContact CG2-CD 3.65Å; E52-K169 WeakPolarHBondContact OE1-CE 3.47Å; E52-K169 IonicContact OE1-NZ 3.96Å; E52-K169 PolarHBondContact OE1-NZ 3.04Å; E52-K169 VanDerWaalsContact OE1-NZ 3.08Å; K169-L328 CarbonylContact O-C 3.58Å; K169-L328 WeakPolarHBondContact O-CA 3.3Å; K169-L329 HydrophobicContact CB-CB 4.37Å; K169-L329 HydrophobicContact CD-CD2 3.95Å; K169-L329 HydrophobicContact CG-CB 4.4Å; K169-L329 HydrophobicContact CG-CD2 4.35Å; K169-L329 PolarHBondContact O-N 3.18Å; K169-T331 HydrophobicContact CB-CG2 3.91Å
170V97.1Very high91Very high13 Ų1369 Ų698%0.07932%0.317CS..EExtended strand (participates in β ladder)trans-98.2125.2168.5179.90000107.7F261 L265 L285 P286 W322 Y326 A327 L328V170-F261 HydrophobicContact CG2-CD1 4.37Å; V170-F261 HydrophobicContact CG2-CE1 4.26Å; V170-L265 HydrophobicContact CG2-CD1 3.92Å; V170-L285 HydrophobicContact CG2-CD2 3.95Å; V170-P286 HydrophobicContact CG1-CG 3.63Å; V170-W322 HydrophobicContact CG1-CE3 4.37Å; V170-W322 HydrophobicContact CG1-CZ3 4.22Å; V170-Y326 VanDerWaalsContact CG1-CB 3.49Å; V170-Y326 HydrophobicContact CG1-CD1 4.19Å; V170-Y326 HydrophobicContact CG1-CG 4.12Å; V170-A327 WeakPolarHBondContact CA-O 3.37Å; V170-L328 HydrophobicContact CG2-CD2 3.96Å
171A95.9Very high90.9Very high9 Ų968.4 Ų68.47%0.07431%0.314CS..EExtended strand (participates in β ladder)trans-132.2160.3-179.500000110.9Y326 A327 L329A171-Y326 CarbonylContact O-C 3.53Å; A171-Y326 WeakPolarHBondContact O-CA 3.43Å; A171-Y326 WeakPolarHBondContact O-CB 3.33Å; A171-A327 PolarHBondContact N-O 3.18Å; A171-A327 PolarHBondContact O-N 3.02Å; A171-L329 HydrophobicContact CB-CB 3.9Å; A171-L329 HydrophobicContact CB-CD2 3.84Å; A171-L329 HydrophobicContact CB-CG 4.36Å
172R94.5Very high90.8Very high166 Ų16672.4 Ų72.463%0.62634%0.336SS*.EExtended strand (participates in β ladder)trans-64.8138.6178.4-74.7-177.1175.3-92.22110.5S325 Y326R172-S325 CarbonylContact C-O 3.59Å; R172-S325 VanDerWaalsContact CA-O 3.3Å; R172-S325 WeakPolarHBondContact CA-O 3.2Å; R172-Y326 HydrophobicContact CB-CD1 4.49Å; R172-Y326 HydrophobicContact CG-CD1 3.77Å; R172-Y326 HydrophobicContact CG-CE1 3.47Å; R172-Y326 VanDerWaalsContact CG-CE1 3.47Å; R172-Y326 PolarHBondContact NH2-OH 3.44Å
173K90.3Very high90.8Very high52 Ų5274.7 Ų74.723%0.22635%0.346CS..  trans-74.4140.7173.5-71172.3168.61760110.1N175 F177 K323 S325 Y326 A327K173-N175 WeakPolarHBondContact CB-O 3.2Å; K173-F177 PolarHBondContact NZ-O 3.33Å; K173-K323 PolarHBondContact NZ-O 3.32Å; K173-S325 PolarHBondContact N-O 2.85Å; K173-Y326 WeakPolarHBondContact CE-O 3.29Å; K173-A327 HydrophobicContact CD-CB 4.3Å; K173-A327 HydrophobicContact CG-CB 3.69Å
174N84.3Confident90.7Very high178 Ų17881.5 Ų81.595%0.95238%0.382SS*.SBendtrans-78.6-25.5166.9-67.3-19.3000112.1
175N80.7Confident90.6Very high82 Ų8284 Ų8444%0.43940%0.398SS..SBendtrans-100.2154.2-17864.330.4000111.9K173 F177K173-N175 WeakPolarHBondContact CB-O 3.2Å; N175-F177 VanDerWaalsContact C-N 3.31Å; N175-F177 HydrophobicContact CB-CD2 3.71Å; N175-F177 HydrophobicContact CB-CE2 4.17Å
176R76.2Confident90.6Very high248 Ų24884 Ų8494%0.93640%0.396SS*.  trans-9318.2178.3-61.7-172.5-177.9-173.51.3113R178R176-R178 PolarHBondContact O-N 2.75Å; R176-R178 VanDerWaalsContact O-N 3.16Å
177F78.2Confident90.6Very high158 Ų15887.8 Ų87.869%0.69342%0.419SS*.PPolyproline II helixtrans-67.6117.9179.2-70.8-70.3000110K173 N175 S179K173-F177 PolarHBondContact NZ-O 3.33Å; N175-F177 VanDerWaalsContact C-N 3.31Å; N175-F177 HydrophobicContact CB-CD2 3.71Å; N175-F177 HydrophobicContact CB-CE2 4.17Å; F177-S179 PolarHBondContact O-N 3.47Å
178R76.2Confident90.7Very high196 Ų19688.5 Ų88.574%0.7442%0.423SS*.PPolyproline II helixtrans-69.2121.3176.5-170.4173.3-177.2169.10.5109R176 I180R176-R178 PolarHBondContact O-N 2.75Å; R176-R178 VanDerWaalsContact O-N 3.16Å; R178-I180 PolarHBondContact O-N 3.38Å
179S80.6Confident90.8Very high42 Ų4290.3 Ų90.329%0.29443%0.43SS..PPolyproline II helixtrans-74.4125167.3-176.50000107.8F177F177-S179 PolarHBondContact O-N 3.47Å
180I87.1Confident90.9Very high144 Ų14489.4 Ų89.474%0.73843%0.426SS*.PPolyproline II helixtrans-94.4125.8175-59.1174.8000107.2R178R178-I180 PolarHBondContact O-N 3.38Å
181V93.9Very high90.9Very high14 Ų1488.8 Ų88.89%0.08542%0.423CS..PPolyproline II helixtrans-99.3124.3168.51760000107.1F183 D268 F320 K323V181-F183 HydrophobicContact CB-CE1 4.19Å; V181-F183 HydrophobicContact CB-CE2 3.93Å; V181-F183 HydrophobicContact CB-CZ 3.73Å; V181-F183 HydrophobicContact CG1-CD1 4.01Å; V181-F183 HydrophobicContact CG1-CD2 4.49Å; V181-F183 HydrophobicContact CG1-CE1 3.63Å; V181-F183 HydrophobicContact CG1-CE2 4.16Å; V181-F183 HydrophobicContact CG1-CG 4.42Å; V181-F183 HydrophobicContact CG1-CZ 3.71Å; V181-F183 VanDerWaalsContact O-CD2 3.3Å; V181-F183 WeakPolarHBondContact O-CD2 3.5Å; V181-F183 WeakPolarHBondContact O-CE2 3.07Å; V181-F183 PolarHBondContact O-N 2.69Å; V181-D268 HydrophobicContact CG1-CB 3.91Å; V181-D268 HydrophobicContact CG2-CB 4.22Å; V181-F320 HydrophobicContact CG2-CB 4.13Å; V181-F320 HydrophobicContact CG2-CD1 3.96Å; V181-F320 HydrophobicContact CG2-CG 4.09Å; V181-K323 HydrophobicContact CG2-CD 3.77Å
182D95.4Very high91Very high84 Ų8489 Ų8945%0.44942%0.421SS..  trans-77.2110.2171.1-173.8-15.5000108.6D184 V185D182-D184 PolarHBondContact OD1-N 2.77Å; D182-V185 HydrophobicContact CB-CG2 4.12Å; D182-V185 VanDerWaalsContact O-CG2 3.28Å; D182-V185 WeakPolarHBondContact O-CG2 3.32Å; D182-V185 PolarHBondContact OD1-N 3.15Å; D182-V185 WeakPolarHBondContact OD2-CG1 3.46Å
183F96.5Very high91Very high47 Ų4782 Ų8221%0.20640%0.396CS..  trans-89.5-18.7179.4-66.1-72.4000112.4V181 V185 K186 Y316 R317 F320V181-F183 HydrophobicContact CB-CE1 4.19Å; V181-F183 HydrophobicContact CB-CE2 3.93Å; V181-F183 HydrophobicContact CB-CZ 3.73Å; V181-F183 HydrophobicContact CG1-CD1 4.01Å; V181-F183 HydrophobicContact CG1-CD2 4.49Å; V181-F183 HydrophobicContact CG1-CE1 3.63Å; V181-F183 HydrophobicContact CG1-CE2 4.16Å; V181-F183 HydrophobicContact CG1-CG 4.42Å; V181-F183 HydrophobicContact CG1-CZ 3.71Å; V181-F183 VanDerWaalsContact O-CD2 3.3Å; V181-F183 WeakPolarHBondContact O-CD2 3.5Å; V181-F183 WeakPolarHBondContact O-CE2 3.07Å; V181-F183 PolarHBondContact O-N 2.69Å; F183-V185 VanDerWaalsContact C-N 3.26Å; F183-V185 PolarHBondContact O-N 3.39Å; F183-K186 VanDerWaalsContact O-CB 3.23Å; F183-K186 WeakPolarHBondContact O-CB 3.26Å; F183-K186 WeakPolarHBondContact O-CG 3.44Å; F183-K186 PolarHBondContact O-N 2.98Å; F183-K186 VanDerWaalsContact O-N 3.16Å; F183-Y316 HydrophobicContact CD1-CD1 4.26Å; F183-Y316 AromaticContact CD1-CE1 3.88Å; F183-Y316 HydrophobicContact CD1-CE1 3.88Å; F183-Y316 HydrophobicContact CE1-CD1 4.27Å; F183-Y316 AromaticContact CE1-CE1 3.93Å; F183-Y316 HydrophobicContact CE1-CE1 3.93Å; F183-R317 HydrophobicContact CD1-CG 3.94Å; F183-R317 HydrophobicContact CD2-CG 4.05Å; F183-R317 HydrophobicContact CE1-CB 4.29Å; F183-R317 HydrophobicContact CE1-CG 3.69Å; F183-R317 HydrophobicContact CE2-CB 4.39Å; F183-R317 HydrophobicContact CE2-CG 3.8Å; F183-R317 HydrophobicContact CG-CG 4.11Å; F183-R317 HydrophobicContact CZ-CB 3.97Å; F183-R317 HydrophobicContact CZ-CG 3.61Å; F183-F320 AromaticContact CE1-CD2 3.64Å; F183-F320 HydrophobicContact CE1-CD2 3.64Å; F183-F320 AromaticContact CE1-CE2 3.89Å; F183-F320 HydrophobicContact CE1-CE2 3.89Å; F183-F320 HydrophobicContact CE1-CG 4.44Å; F183-F320 HydrophobicContact CZ-CB 4.48Å; F183-F320 AromaticContact CZ-CD2 3.92Å; F183-F320 HydrophobicContact CZ-CD2 3.92Å; F183-F320 HydrophobicContact CZ-CG 4.38Å
184D95.9Very high91.2Very high143 Ų14379.8 Ų79.877%0.76539%0.386SS*.THydrogen-bonded Turntrans-73.6-24.4-176.1-63.1-26.4000111D182 K186D182-D184 PolarHBondContact OD1-N 2.77Å; D184-K186 PolarHBondContact O-N 3.23Å
185V96.6Very high91.6Very high56 Ų5675 Ų7534%0.33937%0.367SS..THydrogen-bonded Turntrans-73.1-11.6173.3-60.90000113.8D182 F183 T187 K240D182-V185 HydrophobicContact CB-CG2 4.12Å; D182-V185 VanDerWaalsContact O-CG2 3.28Å; D182-V185 WeakPolarHBondContact O-CG2 3.32Å; D182-V185 PolarHBondContact OD1-N 3.15Å; D182-V185 WeakPolarHBondContact OD2-CG1 3.46Å; F183-V185 VanDerWaalsContact C-N 3.26Å; F183-V185 PolarHBondContact O-N 3.39Å; V185-T187 VanDerWaalsContact C-N 3.34Å; V185-T187 PolarHBondContact O-N 3.28Å; V185-T187 PolarHBondContact O-OG1 2.99Å; V185-K240 WeakPolarHBondContact O-CA 3.35Å
186K97.5Very high92.1Very high18 Ų1873.8 Ų73.88%0.07836%0.36CS..  trans-76.875.1-173.6-61.1-73.2174.4-167.50112.6F183 D184 R239 K240 Y241 K242 D268F183-K186 VanDerWaalsContact O-CB 3.23Å; F183-K186 WeakPolarHBondContact O-CB 3.26Å; F183-K186 WeakPolarHBondContact O-CG 3.44Å; F183-K186 PolarHBondContact O-N 2.98Å; F183-K186 VanDerWaalsContact O-N 3.16Å; D184-K186 PolarHBondContact O-N 3.23Å; K186-R239 VanDerWaalsContact CD-O 3.25Å; K186-R239 WeakPolarHBondContact CD-O 3.33Å; K186-R239 WeakPolarHBondContact CE-O 3.47Å; K186-R239 PolarHBondContact NZ-O 2.79Å; K186-K240 CarbonylContact C-O 3.58Å; K186-K240 WeakPolarHBondContact CA-O 3.46Å; K186-Y241 WeakPolarHBondContact CD-O 3.44Å; K186-Y241 PolarHBondContact NZ-O 2.99Å; K186-K242 HydrophobicContact CB-CG 4.17Å; K186-D268 WeakPolarHBondContact CE-O 3.42Å; K186-D268 PolarHBondContact NZ-O 2.82Å
187T97.2Very high93Very high108 Ų10864.2 Ų64.266%0.66333%0.331SS*.  trans-96.5-11.2-175.350.20000114.9V185 K240V185-T187 VanDerWaalsContact C-N 3.34Å; V185-T187 PolarHBondContact O-N 3.28Å; V185-T187 PolarHBondContact O-OG1 2.99Å; T187-K240 PolarHBondContact N-O 3.36Å
188K98.1Very high93.7Very high71 Ų7164.1 Ų64.131%0.30933%0.332SS..EExtended strand (participates in β ladder)trans-120.1149.5-176.2-63.9-168.6168.4-154.50112.3D217 K240 Y241 K242K188-D217 IonicContact NZ-OD2 3.6Å; K188-D217 PolarHBondContact NZ-OD2 3.38Å; K188-K240 HydrophobicContact CG-CB 4.49Å; K188-K240 PolarHBondContact N-O 3.34Å; K188-Y241 HydrophobicContact CB-CD1 3.31Å; K188-Y241 HydrophobicContact CB-CE1 3.5Å; K188-Y241 VanDerWaalsContact CB-CE1 3.5Å; K188-Y241 HydrophobicContact CB-CG 3.9Å; K188-Y241 HydrophobicContact CD-CD1 3.97Å; K188-Y241 HydrophobicContact CD-CD2 4.42Å; K188-Y241 HydrophobicContact CD-CE1 3.29Å; K188-Y241 HydrophobicContact CD-CE2 3.85Å; K188-Y241 WeakPolarHBondContact CD-OH 3.24Å; K188-Y241 HydrophobicContact CG-CD1 4.33Å; K188-Y241 HydrophobicContact CG-CE1 4.07Å; K188-Y241 PolarHBondContact NZ-OH 2.94Å; K188-Y241 CarbonylContact O-C 3.54Å; K188-Y241 WeakPolarHBondContact O-CA 3.47Å; K188-K242 PolarHBondContact O-N 3.01Å
189L98.4Very high94.5Very high47 Ų4755.2 Ų55.225%0.24630%0.3CS..EExtended strand (participates in β ladder)trans-76.6-71.3-174.3-177.861000112.5M214 K242 F243 K307 A310L189-M214 HydrophobicContact CD2-CB 4.47Å; L189-M214 HydrophobicContact CD2-CE 3.85Å; L189-M214 HydrophobicContact CG-CE 4.04Å; L189-K242 WeakPolarHBondContact O-CB 3.34Å; L189-K242 PolarHBondContact O-N 2.9Å; L189-F243 HydrophobicContact CD1-CD2 4.02Å; L189-F243 HydrophobicContact CD1-CE2 3.9Å; L189-F243 WeakPolarHBondContact O-CD2 3.41Å; L189-F243 PolarHBondContact O-N 3.2Å; L189-K307 HydrophobicContact CD2-CG 4.43Å; L189-A310 HydrophobicContact CD1-CB 3.64Å
190A98.6Very high95Very high2 Ų255.3 Ų55.32%0.01730%0.303CS..EExtended strand (participates in β ladder)trans-143.8152.2-172.600000112.4M214 D217 F243 F245A190-M214 HydrophobicContact CB-CE 3.47Å; A190-M214 VanDerWaalsContact CB-CE 3.47Å; A190-D217 PolarHBondContact O-N 2.89Å; A190-D217 VanDerWaalsContact O-N 3.15Å; A190-F243 VanDerWaalsContact CA-O 3.3Å; A190-F243 WeakPolarHBondContact CA-O 3.31Å; A190-F243 HydrophobicContact CB-CB 4.05Å; A190-F245 HydrophobicContact CB-CE2 3.65Å; A190-F245 HydrophobicContact CB-CZ 4.02Å
191V97.6Very high95.3Very high0 Ų048.5 Ų48.50%027%0.268CS..EExtended strand (participates in β ladder)trans-142150179.873.20000112.6F193 D217 Y219 L238 Y241 F243 Y244 F245V191-F193 HydrophobicContact CG1-CD2 4.45Å; V191-F193 HydrophobicContact CG1-CE2 4.25Å; V191-F193 HydrophobicContact CG2-CD2 3.86Å; V191-F193 HydrophobicContact CG2-CE2 3.54Å; V191-D217 CarbonylContact C-O 3.33Å; V191-D217 VanDerWaalsContact CA-O 3.29Å; V191-D217 WeakPolarHBondContact CA-O 3.3Å; V191-D217 HydrophobicContact CG2-CB 4.03Å; V191-D217 WeakPolarHBondContact CG2-O 3.29Å; V191-Y219 HydrophobicContact CG2-CD2 3.7Å; V191-Y219 HydrophobicContact CG2-CE2 3.77Å; V191-L238 HydrophobicContact CG1-CD2 3.59Å; V191-Y241 HydrophobicContact CB-CD1 3.57Å; V191-Y241 HydrophobicContact CB-CD2 4.02Å; V191-Y241 HydrophobicContact CB-CE1 3.55Å; V191-Y241 HydrophobicContact CB-CE2 3.99Å; V191-Y241 HydrophobicContact CB-CG 3.79Å; V191-Y241 HydrophobicContact CG1-CD1 4.07Å; V191-Y241 HydrophobicContact CG1-CD2 3.86Å; V191-Y241 HydrophobicContact CG1-CE1 4.41Å; V191-Y241 HydrophobicContact CG1-CE2 4.2Å; V191-Y241 HydrophobicContact CG1-CG 3.76Å; V191-Y241 HydrophobicContact CG2-CD1 4.41Å; V191-Y241 HydrophobicContact CG2-CD2 4.47Å; V191-Y241 HydrophobicContact CG2-CE1 3.93Å; V191-Y241 HydrophobicContact CG2-CE2 3.97Å; V191-F243 PolarHBondContact N-O 3.16Å; V191-Y244 HydrophobicContact CG1-CD2 3.67Å; V191-Y244 HydrophobicContact CG1-CE2 4.42Å; V191-F245 PolarHBondContact O-N 3.39Å
192W97.2Very high95.2Very high12 Ų1247.9 Ų47.95%0.04527%0.265CS..EExtended strand (participates in β ladder)trans-132.1124.4174.5-173.939.5000111.4V194 R203 E204 V207 I216 D217 Q218 Y219 F245W192-V194 HydrophobicContact CD2-CB 3.97Å; W192-V194 HydrophobicContact CD2-CG1 3.83Å; W192-V194 HydrophobicContact CE3-CB 4.26Å; W192-V194 HydrophobicContact CE3-CG1 3.68Å; W192-V194 HydrophobicContact CH2-CB 4.06Å; W192-V194 HydrophobicContact CH2-CG1 4.01Å; W192-V194 HydrophobicContact CH2-CG2 3.79Å; W192-V194 HydrophobicContact CZ2-CB 3.72Å; W192-V194 HydrophobicContact CZ2-CG1 4.13Å; W192-V194 HydrophobicContact CZ2-CG2 3.57Å; W192-V194 HydrophobicContact CZ3-CB 4.32Å; W192-V194 HydrophobicContact CZ3-CG1 3.8Å; W192-V194 HydrophobicContact CZ3-CG2 4.43Å; W192-R203 HydrophobicContact CZ2-CG 4.03Å; W192-E204 HydrophobicContact CH2-CB 4.12Å; W192-V207 HydrophobicContact CD2-CB 4.44Å; W192-V207 HydrophobicContact CD2-CG1 4.17Å; W192-V207 HydrophobicContact CD2-CG2 3.9Å; W192-V207 HydrophobicContact CE3-CB 3.97Å; W192-V207 HydrophobicContact CE3-CG1 3.52Å; W192-V207 HydrophobicContact CE3-CG2 3.94Å; W192-V207 HydrophobicContact CG-CG2 4.48Å; W192-V207 HydrophobicContact CH2-CB 4.27Å; W192-V207 HydrophobicContact CH2-CG2 4.18Å; W192-V207 HydrophobicContact CZ2-CG2 4.16Å; W192-V207 HydrophobicContact CZ3-CB 3.86Å; W192-V207 HydrophobicContact CZ3-CG1 3.78Å; W192-V207 HydrophobicContact CZ3-CG2 4.07Å; W192-I216 HydrophobicContact CB-CG2 4.04Å; W192-D217 PolarHBondContact N-O 3.11Å; W192-Q218 HydrophobicContact CE3-CG 4.26Å; W192-Q218 VanDerWaalsContact CE3-OE1 3.31Å; W192-Q218 VanDerWaalsContact O-CA 3.29Å; W192-Q218 WeakPolarHBondContact O-CA 3.48Å; W192-Y219 PolarHBondContact O-N 3.42Å; W192-F245 HydrophobicContact CB-CB 4.2Å; W192-F245 HydrophobicContact CB-CD2 4.15Å; W192-F245 VanDerWaalsContact CD1-O 3.29Å; W192-F245 HydrophobicContact CG-CB 4.18Å
193F94.8Very high95.2Very high21 Ų2144 Ų449%0.09224%0.244CC..EExtended strand (participates in β ladder)trans-105.3119.5176.6-79.2-138.1000108.9V191 Y219 C227 W235 L238 Y244V191-F193 HydrophobicContact CG1-CD2 4.45Å; V191-F193 HydrophobicContact CG1-CE2 4.25Å; V191-F193 HydrophobicContact CG2-CD2 3.86Å; V191-F193 HydrophobicContact CG2-CE2 3.54Å; F193-Y219 CarbonylContact C-O 3.55Å; F193-Y219 WeakPolarHBondContact CA-O 3.43Å; F193-Y219 HydrophobicContact CD2-CD2 4.05Å; F193-Y219 HydrophobicContact CD2-CG 4.46Å; F193-Y219 AromaticContact CE2-CD2 3.48Å; F193-Y219 HydrophobicContact CE2-CD2 3.48Å; F193-Y219 VanDerWaalsContact CE2-CD2 3.48Å; F193-Y219 HydrophobicContact CE2-CE2 4.26Å; F193-Y219 AromaticContact CE2-CG 4Å; F193-Y219 HydrophobicContact CE2-CG 4Å; F193-Y219 AromaticContact CZ-CD2 3.96Å; F193-Y219 HydrophobicContact CZ-CD2 3.96Å; F193-Y219 HydrophobicContact CZ-CG 4.12Å; F193-C227 HydrophobicContact CD1-CB 4.33Å; F193-C227 HydrophobicContact CE1-CB 3.8Å; F193-C227 WeakPolarHBondContact CE1-SG 3.27Å; F193-C227 HydrophobicContact CZ-CB 4.39Å; F193-W235 HydrophobicContact CD1-CE3 4.49Å; F193-W235 HydrophobicContact CD1-CH2 4.01Å; F193-W235 AromaticContact CD1-CZ3 3.78Å; F193-W235 HydrophobicContact CD1-CZ3 3.78Å; F193-W235 HydrophobicContact CE1-CE3 4.07Å; F193-W235 HydrophobicContact CE1-CH2 4.29Å; F193-W235 AromaticContact CE1-CZ3 3.81Å; F193-W235 HydrophobicContact CE1-CZ3 3.81Å; F193-L238 HydrophobicContact CD2-CD2 4.08Å; F193-L238 HydrophobicContact CE1-CD2 4.41Å; F193-L238 HydrophobicContact CE2-CD2 3.35Å; F193-L238 HydrophobicContact CE2-CG 4.27Å; F193-L238 HydrophobicContact CZ-CD1 4.42Å; F193-L238 HydrophobicContact CZ-CD2 3.56Å; F193-L238 HydrophobicContact CZ-CG 3.97Å; F193-Y244 HydrophobicContact CB-CE2 4.14Å; F193-Y244 AromaticContact CD2-CE2 3.88Å; F193-Y244 HydrophobicContact CD2-CE2 3.88Å; F193-Y244 HydrophobicContact CG-CE2 4.1Å
194V94.1Very high95.1Very high5 Ų543.5 Ų43.53%0.0324%0.242CC..  trans-144124.5-169.1560000112.1W192 N196 Q218 Y219 G220 K221 C222W192-V194 HydrophobicContact CD2-CB 3.97Å; W192-V194 HydrophobicContact CD2-CG1 3.83Å; W192-V194 HydrophobicContact CE3-CB 4.26Å; W192-V194 HydrophobicContact CE3-CG1 3.68Å; W192-V194 HydrophobicContact CH2-CB 4.06Å; W192-V194 HydrophobicContact CH2-CG1 4.01Å; W192-V194 HydrophobicContact CH2-CG2 3.79Å; W192-V194 HydrophobicContact CZ2-CB 3.72Å; W192-V194 HydrophobicContact CZ2-CG1 4.13Å; W192-V194 HydrophobicContact CZ2-CG2 3.57Å; W192-V194 HydrophobicContact CZ3-CB 4.32Å; W192-V194 HydrophobicContact CZ3-CG1 3.8Å; W192-V194 HydrophobicContact CZ3-CG2 4.43Å; V194-N196 WeakPolarHBondContact CG2-O 3.48Å; V194-Q218 HydrophobicContact CG1-CG 3.73Å; V194-Y219 PolarHBondContact N-O 3.4Å; V194-G220 CarbonylContact O-C 3.48Å; V194-G220 WeakPolarHBondContact O-CA 3.49Å; V194-K221 PolarHBondContact O-N 3.37Å; V194-K221 VanDerWaalsContact O-N 3.14Å; V194-C222 HydrophobicContact CG1-CB 3.97Å; V194-C222 HydrophobicContact CG2-CB 4.13Å; V194-C222 PolarHBondContact O-N 3.06Å
195S92.5Very high95.1Very high78 Ų7840.9 Ų40.955%0.54523%0.228SC..SBendtrans-119-18.5175.656.90000113.9C222S195-C222 VanDerWaalsContact C-SG 3.58Å
196N92.4Very high95Very high55 Ų5538.5 Ų38.529%0.29421%0.213SC..  trans-105.1111.2172.2-172.7-1.4000108.8V194 H198 T199 R203 C222V194-N196 WeakPolarHBondContact CG2-O 3.48Å; N196-H198 PolarHBondContact OD1-N 3.3Å; N196-H198 PolarHBondContact OD1-O 2.91Å; N196-T199 HydrophobicContact CB-CG2 4.03Å; N196-R203 PolarHBondContact O-NH2 3.16Å; N196-C222 VanDerWaalsContact C-SG 3.59Å
197C93.7Very high94.9Very high47 Ų4737.7 Ų37.732%0.31821%0.209SC..SBendtrans-91-11.4-166.6-42.10000113.7C222C197-C222 WeakPolarHBondContact CA-SG 3.45Å; C197-C222 HydrophobicContact CB-CB 3.82Å; C197-C222 WeakPolarHBondContact CB-SG 3.39Å; C197-C222 PolarHBondContact N-SG 3.37Å; C197-C222 WeakPolarHBondContact SG-CA 3.28Å; C197-C222 WeakPolarHBondContact SG-CB 2.94Å; C197-C222 CovalentContact SG-SG 2.03Å; C197-C222 PolarHBondContact SG-SG 3.13Å
198H92.8Very high94.9Very high157 Ų15738.1 Ų38.173%0.72720%0.204SC*.SBendtrans-136112.2176.8-60.7-61.2000107.6N196N196-H198 PolarHBondContact OD1-N 3.3Å; N196-H198 PolarHBondContact OD1-O 2.91Å
199T93.7Very high94.8Very high8 Ų838.2 Ų38.25%0.04921%0.206CC..  trans-126.5151-174.769.10000111.9N196 S201 G202 R203 E204 N249N196-T199 HydrophobicContact CB-CG2 4.03Å; T199-S201 PolarHBondContact O-N 2.98Å; T199-S201 VanDerWaalsContact O-N 3.1Å; T199-S201 PolarHBondContact OG1-OG 3.11Å; T199-G202 PolarHBondContact O-N 3.36Å; T199-R203 WeakPolarHBondContact OG1-CG 3.28Å; T199-E204 PolarHBondContact N-OE1 2.88Å; T199-E204 PolarHBondContact OG1-OE2 3.07Å; T199-N249 VanDerWaalsContact CB-O 3.3Å; T199-N249 WeakPolarHBondContact CB-O 3.45Å; T199-N249 HydrophobicContact CG2-CB 4.32Å
200A92.2Very high94.7Very high45 Ų4536 Ų3637%0.37219%0.194SC..THydrogen-bonded Turntrans-59.2-24.5177.900000112.6P140 N249P140-A200 HydrophobicContact CB-CB 4.06Å; P140-A200 HydrophobicContact CG-CB 4.38Å; A200-N249 PolarHBondContact N-O 3.16Å
201S93.1Very high94.6Very high0 Ų039.9 Ų39.90%021%0.208CC..THydrogen-bonded Turntrans-73.1-17.9174.459.50000115.4T199 R203 E248 N249T199-S201 PolarHBondContact O-N 2.98Å; T199-S201 VanDerWaalsContact O-N 3.1Å; T199-S201 PolarHBondContact OG1-OG 3.11Å; S201-R203 PolarHBondContact O-N 2.95Å; S201-E248 VanDerWaalsContact CB-O 3.23Å; S201-E248 WeakPolarHBondContact CB-O 3.34Å; S201-E248 PolarHBondContact OG-O 2.97Å; S201-N249 PolarHBondContact N-O 3.3Å; S201-N249 PolarHBondContact OG-O 3.07Å
202G92.2Very high94.7Very high1 Ų145 Ų451%0.0124%0.236CC..  trans62.624.1-172.500000113.9T199 E204 N205 Y206T199-G202 PolarHBondContact O-N 3.36Å; G202-E204 PolarHBondContact O-N 3.08Å; G202-N205 PolarHBondContact O-N 2.98Å; G202-Y206 PolarHBondContact O-N 3.22Å
203R94.9Very high94.7Very high4 Ų447.8 Ų47.82%0.01525%0.246CC..Hα-helixtrans-61.8-29.5-175.470.6-172.3176.7147.3-0.2112.8W192 N196 T199 S201 N205 Y206 V207 F247 E248 N249 L274W192-R203 HydrophobicContact CZ2-CG 4.03Å; N196-R203 PolarHBondContact O-NH2 3.16Å; T199-R203 WeakPolarHBondContact OG1-CG 3.28Å; S201-R203 PolarHBondContact O-N 2.95Å; R203-N205 VanDerWaalsContact C-N 3.35Å; R203-Y206 PolarHBondContact O-N 2.85Å; R203-V207 WeakPolarHBondContact O-CG2 3.4Å; R203-V207 PolarHBondContact O-N 3.43Å; R203-F247 HydrophobicContact CB-CB 3.84Å; R203-F247 HydrophobicContact CB-CD2 4.1Å; R203-F247 HydrophobicContact CB-CG 4.43Å; R203-F247 WeakPolarHBondContact CD-O 3.5Å; R203-F247 HydrophobicContact CG-CB 4.32Å; R203-F247 PolarHBondContact NH1-O 3.13Å; R203-E248 WeakPolarHBondContact CD-O 3.3Å; R203-N249 VanDerWaalsContact CZ-OD1 3.23Å; R203-N249 PolarHBondContact NH2-OD1 3.06Å; R203-N249 VanDerWaalsContact NH2-OD1 3.09Å; R203-L274 HydrophobicContact CB-CD1 4.37Å; R203-L274 HydrophobicContact CB-CD2 4.04Å
204E94.8Very high94.9Very high35 Ų3547.2 Ų47.216%0.16424%0.244CC..Hα-helixtrans-61.1-43176.460-77.1179.600111.6W192 T199 G202 Y206 V207 E208W192-E204 HydrophobicContact CH2-CB 4.12Å; T199-E204 PolarHBondContact N-OE1 2.88Å; T199-E204 PolarHBondContact OG1-OE2 3.07Å; G202-E204 PolarHBondContact O-N 3.08Å; E204-Y206 VanDerWaalsContact C-N 3.32Å; E204-Y206 PolarHBondContact O-N 3.4Å; E204-V207 PolarHBondContact O-N 3.12Å; E204-E208 WeakPolarHBondContact O-CB 3.24Å; E204-E208 PolarHBondContact O-N 3.26Å
205N94.3Very high95Very high88 Ų8853.5 Ų53.547%0.47127%0.273SS..Hα-helixtrans-65.6-38177.9-63.1-20.3000111.1G202 R203 E208 E209G202-N205 PolarHBondContact O-N 2.98Å; R203-N205 VanDerWaalsContact C-N 3.35Å; N205-E208 PolarHBondContact O-N 2.93Å; N205-E209 PolarHBondContact O-N 2.85Å
206Y95.2Very high95.3Very high6 Ų650.1 Ų50.12%0.02425%0.249CC..Hα-helixtrans-65.6-43.4176.5-165.9-82.7000111.7G202 R203 E204 L210 F247 L274 V293 P299 L302 W368G202-Y206 PolarHBondContact O-N 3.22Å; R203-Y206 PolarHBondContact O-N 2.85Å; E204-Y206 VanDerWaalsContact C-N 3.32Å; E204-Y206 PolarHBondContact O-N 3.4Å; Y206-L210 WeakPolarHBondContact O-CB 3.42Å; Y206-L210 PolarHBondContact O-N 2.75Å; Y206-F247 AromaticContact CD1-CE2 3.75Å; Y206-F247 HydrophobicContact CD1-CE2 3.75Å; Y206-F247 AromaticContact CD1-CZ 3.98Å; Y206-F247 HydrophobicContact CD1-CZ 3.98Å; Y206-F247 HydrophobicContact CE1-CE2 4.42Å; Y206-F247 HydrophobicContact CE1-CZ 4.19Å; Y206-L274 HydrophobicContact CD1-CD1 4.26Å; Y206-L274 HydrophobicContact CD2-CD1 4.34Å; Y206-L274 HydrophobicContact CG-CD1 3.94Å; Y206-V293 HydrophobicContact CD1-CG1 4.49Å; Y206-V293 HydrophobicContact CE1-CB 4.36Å; Y206-V293 HydrophobicContact CE1-CG1 3.75Å; Y206-V293 HydrophobicContact CE2-CB 4.36Å; Y206-P299 HydrophobicContact CD2-CG 4.06Å; Y206-P299 HydrophobicContact CE1-CB 4.3Å; Y206-P299 HydrophobicContact CE1-CG 4.31Å; Y206-P299 HydrophobicContact CE2-CG 3.75Å; Y206-L302 HydrophobicContact CE1-CD2 3.74Å; Y206-W368 HydrophobicContact CD2-CB 4.44Å; Y206-W368 AromaticContact CD2-CD1 3.7Å; Y206-W368 AromaticContact CD2-CD2 3.45Å; Y206-W368 HydrophobicContact CD2-CD2 3.45Å; Y206-W368 VanDerWaalsContact CD2-CD2 3.45Å; Y206-W368 AromaticContact CD2-CE2 3.57Å; Y206-W368 HydrophobicContact CD2-CE3 4.01Å; Y206-W368 AromaticContact CD2-CG 3.58Å; Y206-W368 HydrophobicContact CD2-CG 3.58Å; Y206-W368 HydrophobicContact CD2-CZ2 4.25Å; Y206-W368 AromaticContact CD2-NE1 3.67Å; Y206-W368 HydrophobicContact CE2-CB 4.4Å; Y206-W368 AromaticContact CE2-CD2 3.93Å; Y206-W368 HydrophobicContact CE2-CD2 3.93Å; Y206-W368 HydrophobicContact CE2-CE3 4.17Å; Y206-W368 AromaticContact CE2-CG 3.97Å; Y206-W368 HydrophobicContact CE2-CG 3.97Å; Y206-W368 HydrophobicContact CG-CD2 4.49Å
207V96.2Very high95.5Very high1 Ų148.6 Ų48.61%0.00624%0.241CC..Hα-helixtrans-66.7-39.5176.9176.40000111W192 R203 E204 E209 L210 R211 I216 F247W192-V207 HydrophobicContact CD2-CB 4.44Å; W192-V207 HydrophobicContact CD2-CG1 4.17Å; W192-V207 HydrophobicContact CD2-CG2 3.9Å; W192-V207 HydrophobicContact CE3-CB 3.97Å; W192-V207 HydrophobicContact CE3-CG1 3.52Å; W192-V207 HydrophobicContact CE3-CG2 3.94Å; W192-V207 HydrophobicContact CG-CG2 4.48Å; W192-V207 HydrophobicContact CH2-CB 4.27Å; W192-V207 HydrophobicContact CH2-CG2 4.18Å; W192-V207 HydrophobicContact CZ2-CG2 4.16Å; W192-V207 HydrophobicContact CZ3-CB 3.86Å; W192-V207 HydrophobicContact CZ3-CG1 3.78Å; W192-V207 HydrophobicContact CZ3-CG2 4.07Å; R203-V207 WeakPolarHBondContact O-CG2 3.4Å; R203-V207 PolarHBondContact O-N 3.43Å; E204-V207 PolarHBondContact O-N 3.12Å; V207-E209 PolarHBondContact O-N 3.5Å; V207-L210 WeakPolarHBondContact O-CB 3.33Å; V207-L210 PolarHBondContact O-N 2.78Å; V207-L210 VanDerWaalsContact O-N 3.14Å; V207-R211 WeakPolarHBondContact O-CG 3.14Å; V207-R211 PolarHBondContact O-N 3.28Å; V207-I216 HydrophobicContact CG1-CD1 4.01Å; V207-F247 HydrophobicContact CG2-CD2 3.57Å; V207-F247 HydrophobicContact CG2-CE2 3.47Å; V207-F247 VanDerWaalsContact CG2-CE2 3.47Å
208E95.5Very high95.6Very high117 Ų11747.8 Ų47.855%0.54723%0.232SC..Hα-helixtrans-60.5-45.2177.6-168.457.4-153.400111.5E204 N205 L210 R211E204-E208 WeakPolarHBondContact O-CB 3.24Å; E204-E208 PolarHBondContact O-N 3.26Å; N205-E208 PolarHBondContact O-N 2.93Å; E208-L210 VanDerWaalsContact C-N 3.33Å; E208-L210 PolarHBondContact O-N 3.35Å; E208-R211 WeakPolarHBondContact O-CB 3.23Å; E208-R211 PolarHBondContact O-N 2.78Å; E208-R211 WeakPolarHBondContact OE2-CD 3.38Å; E208-R211 IonicContact OE2-NE 3.81Å
209E96.4Very high95.7Very high74 Ų7441.5 Ų41.535%0.34620%0.203SC..Hα-helixtrans-65.2-37.2174.1-178.357-162.500112N205 V207 R211 N212 Y213 P299N205-E209 PolarHBondContact O-N 2.85Å; V207-E209 PolarHBondContact O-N 3.5Å; E209-R211 VanDerWaalsContact C-N 3.27Å; E209-R211 PolarHBondContact O-N 2.91Å; E209-N212 WeakPolarHBondContact O-CB 3.32Å; E209-N212 PolarHBondContact O-N 2.98Å; E209-N212 PolarHBondContact OE2-ND2 3.09Å; E209-N212 VanDerWaalsContact OE2-ND2 3.08Å; E209-Y213 HydrophobicContact CG-CE2 4.13Å; E209-Y213 VanDerWaalsContact O-CD2 3.25Å; E209-Y213 WeakPolarHBondContact O-CD2 3.35Å; E209-Y213 VanDerWaalsContact O-CE2 3.26Å; E209-Y213 WeakPolarHBondContact O-CE2 3.45Å; E209-Y213 WeakPolarHBondContact OE1-CE2 3.28Å; E209-Y213 PolarHBondContact OE1-OH 2.86Å; E209-P299 HydrophobicContact CB-CB 4.39Å; E209-P299 HydrophobicContact CB-CG 4.17Å; E209-P299 HydrophobicContact CG-CB 3.94Å; E209-P299 HydrophobicContact CG-CG 3.72Å
210L97.3Very high95.6Very high0 Ų041.7 Ų41.70%021%0.206CC..Hα-helixtrans-64.2-31.5178.3-165.764.8000112.7Y206 V207 E208 N212 Y213 M214 I216 F245 P299 L302 A303Y206-L210 WeakPolarHBondContact O-CB 3.42Å; Y206-L210 PolarHBondContact O-N 2.75Å; V207-L210 WeakPolarHBondContact O-CB 3.33Å; V207-L210 PolarHBondContact O-N 2.78Å; V207-L210 VanDerWaalsContact O-N 3.14Å; E208-L210 VanDerWaalsContact C-N 3.33Å; E208-L210 PolarHBondContact O-N 3.35Å; L210-N212 PolarHBondContact O-N 3.1Å; L210-Y213 PolarHBondContact O-N 2.82Å; L210-M214 HydrophobicContact CD1-CG 4.38Å; L210-M214 HydrophobicContact CD1-SD 4.13Å; L210-M214 HydrophobicContact CD2-SD 4.12Å; L210-M214 HydrophobicContact CG-CG 3.97Å; L210-M214 HydrophobicContact CG-SD 3.97Å; L210-M214 PolarHBondContact O-N 3.29Å; L210-M214 VanDerWaalsContact O-N 3.08Å; L210-I216 HydrophobicContact CB-CD1 3.95Å; L210-I216 HydrophobicContact CD2-CD1 3.74Å; L210-I216 HydrophobicContact CG-CD1 3.82Å; L210-F245 HydrophobicContact CD2-CD1 4.36Å; L210-F245 HydrophobicContact CD2-CE1 3.46Å; L210-F245 VanDerWaalsContact CD2-CE1 3.46Å; L210-F245 HydrophobicContact CD2-CE2 4.09Å; L210-F245 HydrophobicContact CD2-CZ 3.3Å; L210-P299 HydrophobicContact CB-CB 4.33Å; L210-P299 HydrophobicContact CD1-CB 3.95Å; L210-P299 WeakPolarHBondContact CD1-O 3.18Å; L210-L302 HydrophobicContact CD1-CB 4.41Å; L210-L302 HydrophobicContact CD1-CD2 4.13Å; L210-L302 HydrophobicContact CD1-CG 4.36Å; L210-L302 HydrophobicContact CD2-CD2 4.12Å; L210-A303 HydrophobicContact CD1-CB 3.78Å
211R97.1Very high95.6Very high84 Ų8447.7 Ų47.732%0.31722%0.224SC..Hα-helixtrans-61-28.4177-74.2173.2172.4-75.1-6.7112.9V207 E208 E209 Y213 I216 Q218V207-R211 WeakPolarHBondContact O-CG 3.14Å; V207-R211 PolarHBondContact O-N 3.28Å; E208-R211 WeakPolarHBondContact O-CB 3.23Å; E208-R211 PolarHBondContact O-N 2.78Å; E208-R211 WeakPolarHBondContact OE2-CD 3.38Å; E208-R211 IonicContact OE2-NE 3.81Å; E209-R211 VanDerWaalsContact C-N 3.27Å; E209-R211 PolarHBondContact O-N 2.91Å; R211-Y213 PolarHBondContact O-N 2.9Å; R211-I216 HydrophobicContact CG-CD1 4.16Å; R211-I216 PolarHBondContact NH1-O 2.88Å; R211-Q218 VanDerWaalsContact NH2-CB 3.29Å
212N98Very high95.5Very high108 Ų10849.4 Ų49.458%0.57824%0.235SC*.THydrogen-bonded Turntrans-62.9-22.5175.1-66.4-39.1000112.4E209 L210E209-N212 WeakPolarHBondContact O-CB 3.32Å; E209-N212 PolarHBondContact O-N 2.98Å; E209-N212 PolarHBondContact OE2-ND2 3.09Å; E209-N212 VanDerWaalsContact OE2-ND2 3.08Å; L210-N212 PolarHBondContact O-N 3.1Å
213Y98.4Very high95.2Very high69 Ų6950.3 Ų50.327%0.27125%0.245SC..THydrogen-bonded Turntrans-116.2-17.7-173.3-49.1-68.1000113.8E209 L210 R211 K300 K307E209-Y213 HydrophobicContact CG-CE2 4.13Å; E209-Y213 VanDerWaalsContact O-CD2 3.25Å; E209-Y213 WeakPolarHBondContact O-CD2 3.35Å; E209-Y213 VanDerWaalsContact O-CE2 3.26Å; E209-Y213 WeakPolarHBondContact O-CE2 3.45Å; E209-Y213 WeakPolarHBondContact OE1-CE2 3.28Å; E209-Y213 PolarHBondContact OE1-OH 2.86Å; L210-Y213 PolarHBondContact O-N 2.82Å; R211-Y213 PolarHBondContact O-N 2.9Å; Y213-K300 HydrophobicContact CD1-CB 3.97Å; Y213-K300 HydrophobicContact CD1-CD 4.06Å; Y213-K300 HydrophobicContact CD1-CG 3.65Å; Y213-K300 HydrophobicContact CD2-CB 3.82Å; Y213-K300 HydrophobicContact CD2-CG 4.39Å; Y213-K300 HydrophobicContact CE1-CB 3.89Å; Y213-K300 HydrophobicContact CE1-CD 3.7Å; Y213-K300 HydrophobicContact CE1-CG 3.74Å; Y213-K300 HydrophobicContact CE2-CB 3.75Å; Y213-K300 HydrophobicContact CE2-CG 4.47Å; Y213-K300 HydrophobicContact CG-CB 3.92Å; Y213-K300 HydrophobicContact CG-CG 3.99Å; Y213-K307 WeakPolarHBondContact O-CE 3.45Å; Y213-K307 PolarHBondContact O-NZ 3.22Å
214M98.2Very high94.7Very high9 Ų959.3 Ų59.34%0.04429%0.287CS..SBendtrans-153.2152.9177.761.3179.4-70.100113.2L189 A190 L210 I216 F245 A303 L306L189-M214 HydrophobicContact CD2-CB 4.47Å; L189-M214 HydrophobicContact CD2-CE 3.85Å; L189-M214 HydrophobicContact CG-CE 4.04Å; A190-M214 HydrophobicContact CB-CE 3.47Å; A190-M214 VanDerWaalsContact CB-CE 3.47Å; L210-M214 HydrophobicContact CD1-CG 4.38Å; L210-M214 HydrophobicContact CD1-SD 4.13Å; L210-M214 HydrophobicContact CD2-SD 4.12Å; L210-M214 HydrophobicContact CG-CG 3.97Å; L210-M214 HydrophobicContact CG-SD 3.97Å; L210-M214 PolarHBondContact O-N 3.29Å; L210-M214 VanDerWaalsContact O-N 3.08Å; M214-I216 HydrophobicContact CE-CG1 4.48Å; M214-I216 HydrophobicContact CG-CD1 4.3Å; M214-I216 HydrophobicContact CG-CG1 4.1Å; M214-I216 PolarHBondContact O-N 3.44Å; M214-F245 HydrophobicContact CE-CZ 4.04Å; M214-F245 HydrophobicContact SD-CZ 4.18Å; M214-A303 HydrophobicContact CB-CB 4.12Å; M214-A303 HydrophobicContact CG-CB 3.89Å; M214-A303 HydrophobicContact SD-CB 3.83Å; M214-L306 HydrophobicContact CE-CB 4.46Å; M214-L306 HydrophobicContact CE-CD1 4.04Å; M214-L306 HydrophobicContact SD-CB 4.46Å; M214-L306 HydrophobicContact SD-CD1 3.83Å
215Q97.3Very high94.3Very high138 Ų13861.9 Ų61.965%0.64530%0.299SS*.  trans-68.9131.9172.1-177.9-178.3-21.400110.6D217Q215-D217 PolarHBondContact NE2-OD1 2.7Å
216I97.8Very high93.8Very high6 Ų663.1 Ų63.13%0.03130%0.301CS..  trans-133.1111176.3-52.7176.9000108W192 V207 L210 R211 M214 F245W192-I216 HydrophobicContact CB-CG2 4.04Å; V207-I216 HydrophobicContact CG1-CD1 4.01Å; L210-I216 HydrophobicContact CB-CD1 3.95Å; L210-I216 HydrophobicContact CD2-CD1 3.74Å; L210-I216 HydrophobicContact CG-CD1 3.82Å; R211-I216 HydrophobicContact CG-CD1 4.16Å; R211-I216 PolarHBondContact NH1-O 2.88Å; M214-I216 HydrophobicContact CE-CG1 4.48Å; M214-I216 HydrophobicContact CG-CD1 4.3Å; M214-I216 HydrophobicContact CG-CG1 4.1Å; M214-I216 PolarHBondContact O-N 3.44Å; I216-F245 HydrophobicContact CB-CE2 4.32Å; I216-F245 HydrophobicContact CD1-CD2 4.4Å; I216-F245 HydrophobicContact CD1-CE2 3.62Å; I216-F245 HydrophobicContact CD1-CZ 4.09Å; I216-F245 HydrophobicContact CG1-CE2 3.75Å; I216-F245 HydrophobicContact CG1-CZ 4.41Å; I216-F245 HydrophobicContact CG2-CD2 3.83Å; I216-F245 HydrophobicContact CG2-CE2 3.69Å
217D96.6Very high93.4Very high24 Ų2463.6 Ų63.613%0.12831%0.305CS..EExtended strand (participates in β ladder)trans-71140.4171.1-70.62000108.2K188 A190 V191 W192 Q215 Y219 Y241K188-D217 IonicContact NZ-OD2 3.6Å; K188-D217 PolarHBondContact NZ-OD2 3.38Å; A190-D217 PolarHBondContact O-N 2.89Å; A190-D217 VanDerWaalsContact O-N 3.15Å; V191-D217 CarbonylContact C-O 3.33Å; V191-D217 VanDerWaalsContact CA-O 3.29Å; V191-D217 WeakPolarHBondContact CA-O 3.3Å; V191-D217 HydrophobicContact CG2-CB 4.03Å; V191-D217 WeakPolarHBondContact CG2-O 3.29Å; W192-D217 PolarHBondContact N-O 3.11Å; Q215-D217 PolarHBondContact NE2-OD1 2.7Å; D217-Y219 HydrophobicContact CB-CE2 4.22Å; D217-Y241 HydrophobicContact CB-CE1 3.8Å; D217-Y241 WeakPolarHBondContact CB-OH 3.43Å; D217-Y241 WeakPolarHBondContact OD2-CE1 3.31Å; D217-Y241 PolarHBondContact OD2-OH 3.08Å
218Q95.6Very high92.9Very high29 Ų2965.4 Ų65.414%0.13632%0.317CS..EExtended strand (participates in β ladder)trans-131.7131.6-176.5179.5177.3-5100111.6W192 V194 R211 C222W192-Q218 HydrophobicContact CE3-CG 4.26Å; W192-Q218 VanDerWaalsContact CE3-OE1 3.31Å; W192-Q218 VanDerWaalsContact O-CA 3.29Å; W192-Q218 WeakPolarHBondContact O-CA 3.48Å; V194-Q218 HydrophobicContact CG1-CG 3.73Å; R211-Q218 VanDerWaalsContact NH2-CB 3.29Å; Q218-C222 VanDerWaalsContact NE2-C 3.34Å; Q218-C222 PolarHBondContact NE2-O 3.31Å
219Y94.3Very high92.1Very high26 Ų2668.2 Ų68.210%0.10233%0.328CS..EExtended strand (participates in β ladder)trans-124.5149.3177.4-64-92.8000111.4V191 W192 F193 V194 D217 Q225 C227 Y241V191-Y219 HydrophobicContact CG2-CD2 3.7Å; V191-Y219 HydrophobicContact CG2-CE2 3.77Å; W192-Y219 PolarHBondContact O-N 3.42Å; F193-Y219 CarbonylContact C-O 3.55Å; F193-Y219 WeakPolarHBondContact CA-O 3.43Å; F193-Y219 HydrophobicContact CD2-CD2 4.05Å; F193-Y219 HydrophobicContact CD2-CG 4.46Å; F193-Y219 AromaticContact CE2-CD2 3.48Å; F193-Y219 HydrophobicContact CE2-CD2 3.48Å; F193-Y219 VanDerWaalsContact CE2-CD2 3.48Å; F193-Y219 HydrophobicContact CE2-CE2 4.26Å; F193-Y219 AromaticContact CE2-CG 4Å; F193-Y219 HydrophobicContact CE2-CG 4Å; F193-Y219 AromaticContact CZ-CD2 3.96Å; F193-Y219 HydrophobicContact CZ-CD2 3.96Å; F193-Y219 HydrophobicContact CZ-CG 4.12Å; V194-Y219 PolarHBondContact N-O 3.4Å; D217-Y219 HydrophobicContact CB-CE2 4.22Å; Y219-Q225 CarbonylContact C-O 3.54Å; Y219-Q225 WeakPolarHBondContact CA-O 3.06Å; Y219-Q225 HydrophobicContact CD1-CB 3.54Å; Y219-Q225 HydrophobicContact CE1-CB 3.67Å; Y219-Q225 HydrophobicContact CE1-CG 4.36Å; Y219-Q225 HydrophobicContact CG-CB 4.29Å; Y219-Q225 VanDerWaalsContact CZ-OE1 3.23Å; Y219-Q225 PolarHBondContact OH-OE1 2.86Å; Y219-C227 HydrophobicContact CD1-CB 4.14Å; Y219-C227 HydrophobicContact CG-CB 4.28Å; Y219-Y241 WeakPolarHBondContact CE2-OH 3.42Å; Y219-Y241 PolarHBondContact OH-OH 3.21Å
220G92.2Very high91.5Very high12 Ų1274.9 Ų74.912%0.12435%0.35CS..SBendtrans113.1-171.3174.300000113.5V194 C222 G223 Q225 Q226V194-G220 CarbonylContact O-C 3.48Å; V194-G220 WeakPolarHBondContact O-CA 3.49Å; G220-C222 PolarHBondContact O-N 3.35Å; G220-C222 VanDerWaalsContact O-N 3.15Å; G220-G223 PolarHBondContact O-N 3.13Å; G220-G223 VanDerWaalsContact O-N 3.12Å; G220-Q225 PolarHBondContact N-O 3.05Å; G220-Q226 PolarHBondContact O-NE2 3.18Å
221K91.6Very high91.1Very high170 Ų17077.3 Ų77.374%0.73936%0.363SS*.THydrogen-bonded Turntrans-64.2-21.8-169.3-62.4-175176.9-176.40114.4V194 G223V194-K221 PolarHBondContact O-N 3.37Å; V194-K221 VanDerWaalsContact O-N 3.14Å; K221-G223 VanDerWaalsContact C-N 3.31Å
222C92.3Very high90.7Very high36 Ų3676.9 Ų76.924%0.24337%0.371CS..THydrogen-bonded Turntrans-90.75.6-179.2-480000113V194 S195 N196 C197 Q218 G220V194-C222 HydrophobicContact CG1-CB 3.97Å; V194-C222 HydrophobicContact CG2-CB 4.13Å; V194-C222 PolarHBondContact O-N 3.06Å; S195-C222 VanDerWaalsContact C-SG 3.58Å; N196-C222 VanDerWaalsContact C-SG 3.59Å; C197-C222 WeakPolarHBondContact CA-SG 3.45Å; C197-C222 HydrophobicContact CB-CB 3.82Å; C197-C222 WeakPolarHBondContact CB-SG 3.39Å; C197-C222 PolarHBondContact N-SG 3.37Å; C197-C222 WeakPolarHBondContact SG-CA 3.28Å; C197-C222 WeakPolarHBondContact SG-CB 2.94Å; C197-C222 CovalentContact SG-SG 2.03Å; C197-C222 PolarHBondContact SG-SG 3.13Å; Q218-C222 VanDerWaalsContact NE2-C 3.34Å; Q218-C222 PolarHBondContact NE2-O 3.31Å; G220-C222 PolarHBondContact O-N 3.35Å; G220-C222 VanDerWaalsContact O-N 3.15Å
223G86.4Confident90.4Very high20 Ų2077.5 Ų77.521%0.20637%0.374CS..SBendtrans-140.7-174.2176.400000112.1G220 K221 Q226G220-G223 PolarHBondContact O-N 3.13Å; G220-G223 VanDerWaalsContact O-N 3.12Å; K221-G223 VanDerWaalsContact C-N 3.31Å; G223-Q226 PolarHBondContact O-NE2 3.25Å
224H84.6Confident90Very high194 Ų19474.9 Ų74.990%0.89837%0.366SS*.SBendtrans-84.3-34.1-176.1-62.278.1000112.5
225Q84.9Confident89.6Confident89 Ų8976.3 Ų76.342%0.41637%0.371SS..BIsolated β-bridgetrans-83130.1-178.6-60.1-178.965.700110.1Y219 G220Y219-Q225 CarbonylContact C-O 3.54Å; Y219-Q225 WeakPolarHBondContact CA-O 3.06Å; Y219-Q225 HydrophobicContact CD1-CB 3.54Å; Y219-Q225 HydrophobicContact CE1-CB 3.67Å; Y219-Q225 HydrophobicContact CE1-CG 4.36Å; Y219-Q225 HydrophobicContact CG-CB 4.29Å; Y219-Q225 VanDerWaalsContact CZ-OE1 3.23Å; Y219-Q225 PolarHBondContact OH-OE1 2.86Å; G220-Q225 PolarHBondContact N-O 3.05Å
226Q84.7Confident89.4Confident113 Ų11373.7 Ų73.753%0.52836%0.361SS..  trans-100.2143.5178-63-55.2-3600111G220 G223G220-Q226 PolarHBondContact O-NE2 3.18Å; G223-Q226 PolarHBondContact O-NE2 3.25Å
227C86.9Confident89.2Confident16 Ų1674.7 Ų74.711%0.10837%0.369CS..  trans-135.389.2171.4-173.10000108F193 Y219 C234F193-C227 HydrophobicContact CD1-CB 4.33Å; F193-C227 HydrophobicContact CE1-CB 3.8Å; F193-C227 WeakPolarHBondContact CE1-SG 3.27Å; F193-C227 HydrophobicContact CZ-CB 4.39Å; Y219-C227 HydrophobicContact CD1-CB 4.14Å; Y219-C227 HydrophobicContact CG-CB 4.28Å; C227-C234 WeakPolarHBondContact CA-SG 3.43Å; C227-C234 HydrophobicContact CB-CB 4.19Å; C227-C234 WeakPolarHBondContact CB-SG 3.39Å; C227-C234 WeakPolarHBondContact SG-CB 3.09Å; C227-C234 CovalentContact SG-SG 2Å; C227-C234 PolarHBondContact SG-SG 2.81Å
228P84.7Confident89.2Confident40 Ų4073.6 Ų73.626%0.2636%0.363SS..  trans-64.3138.9-178.8-19.231.7000111.1W230 D231P228-W230 HydrophobicContact CB-CD2 3.62Å; P228-W230 HydrophobicContact CB-CE3 3.93Å; P228-W230 HydrophobicContact CB-CG 4.3Å; P228-W230 HydrophobicContact CB-CH2 3.72Å; P228-W230 HydrophobicContact CB-CZ2 3.37Å; P228-W230 HydrophobicContact CB-CZ3 3.97Å; P228-W230 HydrophobicContact CG-CZ2 4.02Å; P228-W230 PolarHBondContact O-N 3.26Å; P228-W230 VanDerWaalsContact O-N 3.09Å; P228-D231 PolarHBondContact O-N 2.81Å
229K79.3Confident89.2Confident175 Ų17576.1 Ų76.176%0.76137%0.371SS*.THydrogen-bonded Turntrans-58.2-29.3-176.4-70.2-170.5174.6-173.30113.3D231 W235K229-D231 VanDerWaalsContact C-N 3.33Å; K229-W235 HydrophobicContact CG-CZ2 4.36Å; K229-W235 PolarHBondContact O-NE1 3.17Å
230W83.7Confident89.4Confident215 Ų21579.9 Ų79.981%0.81439%0.388SS*.THydrogen-bonded Turntrans-81.7-6.3179.859.885.7000114.1P228 P232P228-W230 HydrophobicContact CB-CD2 3.62Å; P228-W230 HydrophobicContact CB-CE3 3.93Å; P228-W230 HydrophobicContact CB-CG 4.3Å; P228-W230 HydrophobicContact CB-CH2 3.72Å; P228-W230 HydrophobicContact CB-CZ2 3.37Å; P228-W230 HydrophobicContact CB-CZ3 3.97Å; P228-W230 HydrophobicContact CG-CZ2 4.02Å; P228-W230 PolarHBondContact O-N 3.26Å; P228-W230 VanDerWaalsContact O-N 3.09Å; W230-P232 WeakPolarHBondContact O-CD 3.38Å
231D88.8Confident89.7Confident50 Ų5079.4 Ų79.427%0.26738%0.383SS..  trans-92103.3179.9-179.87.9000111.3P228 K229 N233 C234 W235P228-D231 PolarHBondContact O-N 2.81Å; K229-D231 VanDerWaalsContact C-N 3.33Å; D231-N233 VanDerWaalsContact C-N 3.25Å; D231-N233 PolarHBondContact O-N 3.34Å; D231-N233 VanDerWaalsContact OD1-CB 3.31Å; D231-N233 WeakPolarHBondContact OD1-CB 3.46Å; D231-N233 PolarHBondContact OD1-N 3.37Å; D231-C234 HydrophobicContact CB-CB 4.24Å; D231-C234 PolarHBondContact O-N 3.35Å; D231-W235 VanDerWaalsContact O-CD1 3.22Å; D231-W235 PolarHBondContact O-N 3.11Å
232P89Confident90Very high76 Ų7672.7 Ų72.749%0.49435%0.353SS..Hα-helixtrans-67.1-25.5179.529.4-36.2000112.9W230 C234 W235 N236W230-P232 WeakPolarHBondContact O-CD 3.38Å; P232-C234 VanDerWaalsContact C-N 3.32Å; P232-W235 PolarHBondContact O-N 3.23Å; P232-N236 WeakPolarHBondContact O-CB 3.36Å; P232-N236 VanDerWaalsContact O-CG 3.27Å; P232-N236 PolarHBondContact O-N 3.49Å; P232-N236 PolarHBondContact O-ND2 3.03Å; P232-N236 VanDerWaalsContact O-ND2 3.17Å
233N91.2Very high90.3Very high120 Ų12071 Ų7164%0.64234%0.342SS*.Hα-helixtrans-67.1-40.3179.7-66-43.3000110.7D231 N236 S237D231-N233 VanDerWaalsContact C-N 3.25Å; D231-N233 PolarHBondContact O-N 3.34Å; D231-N233 VanDerWaalsContact OD1-CB 3.31Å; D231-N233 WeakPolarHBondContact OD1-CB 3.46Å; D231-N233 PolarHBondContact OD1-N 3.37Å; N233-N236 PolarHBondContact O-N 3.28Å; N233-S237 PolarHBondContact O-N 3.14Å
234C90Very high90.9Very high15 Ų1570 Ų7010%0.10133%0.332CS..Hα-helixtrans-63.3-46.1177-1720000111.6C227 D231 P232 N236 S237C227-C234 WeakPolarHBondContact CA-SG 3.43Å; C227-C234 HydrophobicContact CB-CB 4.19Å; C227-C234 WeakPolarHBondContact CB-SG 3.39Å; C227-C234 WeakPolarHBondContact SG-CB 3.09Å; C227-C234 CovalentContact SG-SG 2Å; C227-C234 PolarHBondContact SG-SG 2.81Å; D231-C234 HydrophobicContact CB-CB 4.24Å; D231-C234 PolarHBondContact O-N 3.35Å; P232-C234 VanDerWaalsContact C-N 3.32Å; C234-N236 PolarHBondContact O-N 2.64Å; C234-S237 VanDerWaalsContact O-CB 3.27Å; C234-S237 WeakPolarHBondContact O-CB 3.46Å; C234-S237 PolarHBondContact O-N 3.1Å; C234-S237 VanDerWaalsContact O-N 3.15Å; C234-S237 PolarHBondContact O-OG 2.8Å
235W90.8Very high91.6Very high39 Ų3960.9 Ų60.915%0.14829%0.29CS..Hα-helixtrans-63.6-41.7175.3-67114.3000112.9F193 K229 D231 P232 S237 L238 N263 Y267F193-W235 HydrophobicContact CD1-CE3 4.49Å; F193-W235 HydrophobicContact CD1-CH2 4.01Å; F193-W235 AromaticContact CD1-CZ3 3.78Å; F193-W235 HydrophobicContact CD1-CZ3 3.78Å; F193-W235 HydrophobicContact CE1-CE3 4.07Å; F193-W235 HydrophobicContact CE1-CH2 4.29Å; F193-W235 AromaticContact CE1-CZ3 3.81Å; F193-W235 HydrophobicContact CE1-CZ3 3.81Å; K229-W235 HydrophobicContact CG-CZ2 4.36Å; K229-W235 PolarHBondContact O-NE1 3.17Å; D231-W235 VanDerWaalsContact O-CD1 3.22Å; D231-W235 PolarHBondContact O-N 3.11Å; P232-W235 PolarHBondContact O-N 3.23Å; W235-S237 PolarHBondContact O-N 2.9Å; W235-L238 HydrophobicContact CE3-CD1 3.63Å; W235-L238 HydrophobicContact CZ3-CD1 4.02Å; W235-L238 WeakPolarHBondContact O-CB 3.34Å; W235-L238 WeakPolarHBondContact O-CG 3.26Å; W235-L238 PolarHBondContact O-N 2.97Å; W235-N263 HydrophobicContact CZ3-CB 4.3Å; W235-N263 WeakPolarHBondContact CZ3-OD1 3.39Å; W235-Y267 HydrophobicContact CB-CE1 3.95Å; W235-Y267 HydrophobicContact CB-CE2 4.24Å; W235-Y267 WeakPolarHBondContact CB-OH 3.42Å; W235-Y267 HydrophobicContact CE3-CE2 4.44Å; W235-Y267 WeakPolarHBondContact O-CD1 3.27Å
236N93Very high92.2Very high82 Ų8256.6 Ų56.644%0.43927%0.27SS..Hα-helixtrans-61.8-27175.5-77-32.2000112.7P232 N233 C234 L238 R239P232-N236 WeakPolarHBondContact O-CB 3.36Å; P232-N236 VanDerWaalsContact O-CG 3.27Å; P232-N236 PolarHBondContact O-N 3.49Å; P232-N236 PolarHBondContact O-ND2 3.03Å; P232-N236 VanDerWaalsContact O-ND2 3.17Å; N233-N236 PolarHBondContact O-N 3.28Å; C234-N236 PolarHBondContact O-N 2.64Å; N236-L238 PolarHBondContact O-N 2.68Å; N236-R239 WeakPolarHBondContact O-CB 3.48Å; N236-R239 WeakPolarHBondContact O-CG 3.48Å; N236-R239 PolarHBondContact O-N 2.75Å
237S93.2Very high92.8Very high28 Ų2851.2 Ų51.220%0.19625%0.245CC..Hα-helixtrans-63.5-22174.386.70000113.4N233 C234 W235 R239 K240N233-S237 PolarHBondContact O-N 3.14Å; C234-S237 VanDerWaalsContact O-CB 3.27Å; C234-S237 WeakPolarHBondContact O-CB 3.46Å; C234-S237 PolarHBondContact O-N 3.1Å; C234-S237 VanDerWaalsContact O-N 3.15Å; C234-S237 PolarHBondContact O-OG 2.8Å; W235-S237 PolarHBondContact O-N 2.9Å; S237-R239 PolarHBondContact O-N 3.15Å; S237-K240 WeakPolarHBondContact O-CB 3.23Å; S237-K240 PolarHBondContact O-N 2.89Å
238L95.5Very high93.3Very high0 Ų050.5 Ų50.50%024%0.239CC..G310 helixtrans-56.1-32.5174.3-74.5177.3000112V191 F193 W235 N236 K240 Y241 Y244 N263 Y267 V269V191-L238 HydrophobicContact CG1-CD2 3.59Å; F193-L238 HydrophobicContact CD2-CD2 4.08Å; F193-L238 HydrophobicContact CE1-CD2 4.41Å; F193-L238 HydrophobicContact CE2-CD2 3.35Å; F193-L238 HydrophobicContact CE2-CG 4.27Å; F193-L238 HydrophobicContact CZ-CD1 4.42Å; F193-L238 HydrophobicContact CZ-CD2 3.56Å; F193-L238 HydrophobicContact CZ-CG 3.97Å; W235-L238 HydrophobicContact CE3-CD1 3.63Å; W235-L238 HydrophobicContact CZ3-CD1 4.02Å; W235-L238 WeakPolarHBondContact O-CB 3.34Å; W235-L238 WeakPolarHBondContact O-CG 3.26Å; W235-L238 PolarHBondContact O-N 2.97Å; N236-L238 PolarHBondContact O-N 2.68Å; L238-K240 PolarHBondContact O-N 3.3Å; L238-Y241 HydrophobicContact CD2-CD2 4.5Å; L238-Y241 PolarHBondContact O-N 3.44Å; L238-Y244 HydrophobicContact CD1-CE2 4.42Å; L238-Y244 HydrophobicContact CD2-CD2 3.82Å; L238-Y244 HydrophobicContact CD2-CE2 4.05Å; L238-N263 HydrophobicContact CD1-CB 4.5Å; L238-N263 WeakPolarHBondContact CD1-O 3.11Å; L238-Y267 HydrophobicContact CB-CG 4.15Å; L238-Y267 HydrophobicContact CD1-CD2 3.97Å; L238-Y267 HydrophobicContact CD1-CG 4.27Å; L238-V269 HydrophobicContact CB-CG2 4.29Å; L238-V269 WeakPolarHBondContact O-CG2 3.39Å
239R96.5Very high93.9Very high83 Ų8349.4 Ų49.431%0.31323%0.232SC..G310 helixtrans-57.8-21.5177.2-64.5-176.4173.6-72.9-9.7113K186 N236 S237 Y241 R266 Y267 D268K186-R239 VanDerWaalsContact CD-O 3.25Å; K186-R239 WeakPolarHBondContact CD-O 3.33Å; K186-R239 WeakPolarHBondContact CE-O 3.47Å; K186-R239 PolarHBondContact NZ-O 2.79Å; N236-R239 WeakPolarHBondContact O-CB 3.48Å; N236-R239 WeakPolarHBondContact O-CG 3.48Å; N236-R239 PolarHBondContact O-N 2.75Å; S237-R239 PolarHBondContact O-N 3.15Å; R239-Y241 VanDerWaalsContact C-N 3.32Å; R239-R266 PolarHBondContact NH2-O 3.23Å; R239-Y267 HydrophobicContact CG-CD1 4.27Å; R239-Y267 WeakPolarHBondContact CG-O 3.23Å; R239-D268 IonicContact CZ-OD2 2.81Å; R239-D268 IonicContact NH1-OD1 3.93Å; R239-D268 IonicContact NH1-OD2 3.94Å; R239-D268 PolarHBondContact NH1-OD2 3.26Å
240K97.7Very high94.7Very high104 Ų10441.1 Ų41.145%0.45220%0.196SC..G310 helixtrans-75.8-18.7176.8-60.1-179.9179.9179.70113.6V185 K186 T187 K188 S237 L238V185-K240 WeakPolarHBondContact O-CA 3.35Å; K186-K240 CarbonylContact C-O 3.58Å; K186-K240 WeakPolarHBondContact CA-O 3.46Å; T187-K240 PolarHBondContact N-O 3.36Å; K188-K240 HydrophobicContact CG-CB 4.49Å; K188-K240 PolarHBondContact N-O 3.34Å; S237-K240 WeakPolarHBondContact O-CB 3.23Å; S237-K240 PolarHBondContact O-N 2.89Å; L238-K240 PolarHBondContact O-N 3.3Å
241Y98.4Very high95.2Very high2 Ų231.6 Ų31.61%0.00816%0.16CC..EExtended strand (participates in β ladder)trans-89.1148.1-178.8-63.7-90.2000111.9K186 K188 V191 D217 Y219 L238 R239K186-Y241 WeakPolarHBondContact CD-O 3.44Å; K186-Y241 PolarHBondContact NZ-O 2.99Å; K188-Y241 HydrophobicContact CB-CD1 3.31Å; K188-Y241 HydrophobicContact CB-CE1 3.5Å; K188-Y241 VanDerWaalsContact CB-CE1 3.5Å; K188-Y241 HydrophobicContact CB-CG 3.9Å; K188-Y241 HydrophobicContact CD-CD1 3.97Å; K188-Y241 HydrophobicContact CD-CD2 4.42Å; K188-Y241 HydrophobicContact CD-CE1 3.29Å; K188-Y241 HydrophobicContact CD-CE2 3.85Å; K188-Y241 WeakPolarHBondContact CD-OH 3.24Å; K188-Y241 HydrophobicContact CG-CD1 4.33Å; K188-Y241 HydrophobicContact CG-CE1 4.07Å; K188-Y241 PolarHBondContact NZ-OH 2.94Å; K188-Y241 CarbonylContact O-C 3.54Å; K188-Y241 WeakPolarHBondContact O-CA 3.47Å; V191-Y241 HydrophobicContact CB-CD1 3.57Å; V191-Y241 HydrophobicContact CB-CD2 4.02Å; V191-Y241 HydrophobicContact CB-CE1 3.55Å; V191-Y241 HydrophobicContact CB-CE2 3.99Å; V191-Y241 HydrophobicContact CB-CG 3.79Å; V191-Y241 HydrophobicContact CG1-CD1 4.07Å; V191-Y241 HydrophobicContact CG1-CD2 3.86Å; V191-Y241 HydrophobicContact CG1-CE1 4.41Å; V191-Y241 HydrophobicContact CG1-CE2 4.2Å; V191-Y241 HydrophobicContact CG1-CG 3.76Å; V191-Y241 HydrophobicContact CG2-CD1 4.41Å; V191-Y241 HydrophobicContact CG2-CD2 4.47Å; V191-Y241 HydrophobicContact CG2-CE1 3.93Å; V191-Y241 HydrophobicContact CG2-CE2 3.97Å; D217-Y241 HydrophobicContact CB-CE1 3.8Å; D217-Y241 WeakPolarHBondContact CB-OH 3.43Å; D217-Y241 WeakPolarHBondContact OD2-CE1 3.31Å; D217-Y241 PolarHBondContact OD2-OH 3.08Å; Y219-Y241 WeakPolarHBondContact CE2-OH 3.42Å; Y219-Y241 PolarHBondContact OH-OH 3.21Å; L238-Y241 HydrophobicContact CD2-CD2 4.5Å; L238-Y241 PolarHBondContact O-N 3.44Å; R239-Y241 VanDerWaalsContact C-N 3.32Å
242K98.6Very high95.6Very high29 Ų2929.2 Ų29.213%0.12615%0.147CC..EExtended strand (participates in β ladder)trans-80.6-41.6170.3-71.1-176.8-179.3-108.50112K186 K188 L189 V269 V270 A310 D313 Y316K186-K242 HydrophobicContact CB-CG 4.17Å; K188-K242 PolarHBondContact O-N 3.01Å; L189-K242 WeakPolarHBondContact O-CB 3.34Å; L189-K242 PolarHBondContact O-N 2.9Å; K242-V269 WeakPolarHBondContact O-CG1 3.38Å; K242-V270 PolarHBondContact O-N 2.88Å; K242-A310 HydrophobicContact CD-CB 3.74Å; K242-A310 WeakPolarHBondContact CE-O 3.3Å; K242-A310 PolarHBondContact NZ-O 2.96Å; K242-D313 IonicContact NZ-OD1 3.92Å; K242-Y316 WeakPolarHBondContact CA-OH 3.38Å; K242-Y316 HydrophobicContact CB-CD2 4.45Å; K242-Y316 HydrophobicContact CB-CE2 3.62Å; K242-Y316 HydrophobicContact CD-CE2 4.38Å; K242-Y316 HydrophobicContact CG-CE1 4.35Å; K242-Y316 HydrophobicContact CG-CE2 3.96Å; K242-Y316 PolarHBondContact O-OH 3.16Å
243F98.9Very high96Very high0 Ų029.2 Ų29.20%014%0.137CC..EExtended strand (participates in β ladder)trans-123.7141.2-176.8-52-67.8000112.9L189 A190 V191 V270 V272 I291 L306 L309 A310 Y316L189-F243 HydrophobicContact CD1-CD2 4.02Å; L189-F243 HydrophobicContact CD1-CE2 3.9Å; L189-F243 WeakPolarHBondContact O-CD2 3.41Å; L189-F243 PolarHBondContact O-N 3.2Å; A190-F243 VanDerWaalsContact CA-O 3.3Å; A190-F243 WeakPolarHBondContact CA-O 3.31Å; A190-F243 HydrophobicContact CB-CB 4.05Å; V191-F243 PolarHBondContact N-O 3.16Å; F243-V270 WeakPolarHBondContact CA-O 3.28Å; F243-V270 HydrophobicContact CD1-CB 3.9Å; F243-V270 HydrophobicContact CD1-CG1 4.23Å; F243-V270 HydrophobicContact CE1-CB 4.23Å; F243-V270 HydrophobicContact CE1-CG1 4.4Å; F243-V272 HydrophobicContact CB-CG2 4.09Å; F243-V272 HydrophobicContact CD1-CG2 4.28Å; F243-V272 HydrophobicContact CG-CG2 4.45Å; F243-I291 HydrophobicContact CD1-CD1 4.19Å; F243-I291 HydrophobicContact CE1-CD1 3.95Å; F243-L306 HydrophobicContact CD1-CD2 3.79Å; F243-L306 HydrophobicContact CD2-CB 4.16Å; F243-L306 HydrophobicContact CD2-CD2 4.2Å; F243-L306 HydrophobicContact CE1-CD2 3.78Å; F243-L306 HydrophobicContact CE2-CB 3.88Å; F243-L306 HydrophobicContact CE2-CD2 4.16Å; F243-L306 VanDerWaalsContact CE2-O 3.29Å; F243-L306 WeakPolarHBondContact CE2-O 3.34Å; F243-L306 HydrophobicContact CG-CD2 4.02Å; F243-L306 HydrophobicContact CZ-CB 4.31Å; F243-L306 HydrophobicContact CZ-CD2 3.96Å; F243-L309 HydrophobicContact CE1-CD2 3.72Å; F243-L309 HydrophobicContact CE1-CG 4.35Å; F243-L309 HydrophobicContact CZ-CB 4.18Å; F243-L309 HydrophobicContact CZ-CD2 3.86Å; F243-L309 HydrophobicContact CZ-CG 4.04Å; F243-A310 HydrophobicContact CE2-CB 4.07Å; F243-Y316 HydrophobicContact CE1-CD2 4.2Å; F243-Y316 HydrophobicContact CE1-CE2 4.09Å; F243-Y316 HydrophobicContact CZ-CD2 4.21Å; F243-Y316 HydrophobicContact CZ-CE2 4.33Å
244Y98.7Very high96.2Very high1 Ų124.1 Ų24.10%0.00411%0.11CC..EExtended strand (participates in β ladder)trans-122.4124.1172.8179.1-88.1000108.9V191 F193 L238 A246 K259 N263 A264 V270 P271 V272V191-Y244 HydrophobicContact CG1-CD2 3.67Å; V191-Y244 HydrophobicContact CG1-CE2 4.42Å; F193-Y244 HydrophobicContact CB-CE2 4.14Å; F193-Y244 AromaticContact CD2-CE2 3.88Å; F193-Y244 HydrophobicContact CD2-CE2 3.88Å; F193-Y244 HydrophobicContact CG-CE2 4.1Å; L238-Y244 HydrophobicContact CD1-CE2 4.42Å; L238-Y244 HydrophobicContact CD2-CD2 3.82Å; L238-Y244 HydrophobicContact CD2-CE2 4.05Å; Y244-A246 HydrophobicContact CD1-CB 3.83Å; Y244-A246 HydrophobicContact CE1-CB 3.9Å; Y244-A246 PolarHBondContact O-N 2.79Å; Y244-K259 HydrophobicContact CE1-CB 4.32Å; Y244-K259 VanDerWaalsContact CE1-O 3.25Å; Y244-K259 WeakPolarHBondContact CE1-O 3.49Å; Y244-N263 HydrophobicContact CE1-CB 3.78Å; Y244-N263 HydrophobicContact CE2-CB 3.94Å; Y244-N263 VanDerWaalsContact CZ-CB 3.45Å; Y244-N263 WeakPolarHBondContact OH-CB 3.45Å; Y244-N263 PolarHBondContact OH-ND2 2.86Å; Y244-A264 HydrophobicContact CD1-CB 3.85Å; Y244-A264 HydrophobicContact CG-CB 4.18Å; Y244-V270 PolarHBondContact N-O 2.89Å; Y244-P271 WeakPolarHBondContact O-CA 3.37Å; Y244-V272 PolarHBondContact O-N 2.8Å
245F98.6Very high96.6Very high1 Ų123.4 Ų23.40%0.00411%0.105CC..EExtended strand (participates in β ladder)trans-78.491.4175.7-65-63.7000110.2A190 V191 W192 L210 M214 I216 F247 V272 L306A190-F245 HydrophobicContact CB-CE2 3.65Å; A190-F245 HydrophobicContact CB-CZ 4.02Å; V191-F245 PolarHBondContact O-N 3.39Å; W192-F245 HydrophobicContact CB-CB 4.2Å; W192-F245 HydrophobicContact CB-CD2 4.15Å; W192-F245 VanDerWaalsContact CD1-O 3.29Å; W192-F245 HydrophobicContact CG-CB 4.18Å; L210-F245 HydrophobicContact CD2-CD1 4.36Å; L210-F245 HydrophobicContact CD2-CE1 3.46Å; L210-F245 VanDerWaalsContact CD2-CE1 3.46Å; L210-F245 HydrophobicContact CD2-CE2 4.09Å; L210-F245 HydrophobicContact CD2-CZ 3.3Å; M214-F245 HydrophobicContact CE-CZ 4.04Å; M214-F245 HydrophobicContact SD-CZ 4.18Å; I216-F245 HydrophobicContact CB-CE2 4.32Å; I216-F245 HydrophobicContact CD1-CD2 4.4Å; I216-F245 HydrophobicContact CD1-CE2 3.62Å; I216-F245 HydrophobicContact CD1-CZ 4.09Å; I216-F245 HydrophobicContact CG1-CE2 3.75Å; I216-F245 HydrophobicContact CG1-CZ 4.41Å; I216-F245 HydrophobicContact CG2-CD2 3.83Å; I216-F245 HydrophobicContact CG2-CE2 3.69Å; F245-F247 HydrophobicContact CB-CD1 4.14Å; F245-F247 HydrophobicContact CB-CD2 4.4Å; F245-F247 HydrophobicContact CB-CE1 4.13Å; F245-F247 HydrophobicContact CB-CE2 4.37Å; F245-F247 HydrophobicContact CB-CG 4.31Å; F245-F247 HydrophobicContact CB-CZ 4.24Å; F245-F247 AromaticContact CD1-CE1 3.73Å; F245-F247 HydrophobicContact CD1-CE1 3.73Å; F245-F247 HydrophobicContact CD1-CE2 4.19Å; F245-F247 AromaticContact CD1-CZ 3.51Å; F245-F247 HydrophobicContact CD1-CZ 3.51Å; F245-F247 HydrophobicContact CE1-CZ 4.25Å; F245-F247 HydrophobicContact CG-CE1 4.37Å; F245-F247 HydrophobicContact CG-CE2 4.47Å; F245-F247 HydrophobicContact CG-CZ 4.17Å; F245-F247 PolarHBondContact O-N 3.13Å; F245-V272 CarbonylContact C-O 3.52Å; F245-V272 WeakPolarHBondContact CA-O 3.28Å; F245-V272 HydrophobicContact CD1-CB 3.67Å; F245-V272 HydrophobicContact CD1-CG1 3.88Å; F245-V272 HydrophobicContact CD1-CG2 4.3Å; F245-V272 HydrophobicContact CE1-CB 3.9Å; F245-V272 HydrophobicContact CE1-CG1 3.88Å; F245-V272 HydrophobicContact CE1-CG2 4.14Å; F245-L306 HydrophobicContact CE1-CD1 3.99Å; F245-L306 HydrophobicContact CZ-CD1 4.05Å
246A98.4Very high97Very high0 Ų021.9 Ų21.90%010%0.1CC..EExtended strand (participates in β ladder)trans-8357.3176.300000110.9Y244 K259 L260 P271 V272 V273Y244-A246 HydrophobicContact CD1-CB 3.83Å; Y244-A246 HydrophobicContact CE1-CB 3.9Å; Y244-A246 PolarHBondContact O-N 2.79Å; A246-K259 HydrophobicContact CB-CB 3.99Å; A246-L260 HydrophobicContact CB-CB 4.36Å; A246-P271 HydrophobicContact CB-CB 4.32Å; A246-V272 PolarHBondContact N-O 3.19Å; A246-V273 HydrophobicContact CB-CG1 4.3Å
247F97.9Very high97.2Very high0 Ų018 Ų180%08%0.079CC..EExtended strand (participates in β ladder)trans-84.4125.6-176.2-66.3-3.3000111.2R203 Y206 V207 F245 K259 V272 L274 V293R203-F247 HydrophobicContact CB-CB 3.84Å; R203-F247 HydrophobicContact CB-CD2 4.1Å; R203-F247 HydrophobicContact CB-CG 4.43Å; R203-F247 WeakPolarHBondContact CD-O 3.5Å; R203-F247 HydrophobicContact CG-CB 4.32Å; R203-F247 PolarHBondContact NH1-O 3.13Å; Y206-F247 AromaticContact CD1-CE2 3.75Å; Y206-F247 HydrophobicContact CD1-CE2 3.75Å; Y206-F247 AromaticContact CD1-CZ 3.98Å; Y206-F247 HydrophobicContact CD1-CZ 3.98Å; Y206-F247 HydrophobicContact CE1-CE2 4.42Å; Y206-F247 HydrophobicContact CE1-CZ 4.19Å; V207-F247 HydrophobicContact CG2-CD2 3.57Å; V207-F247 HydrophobicContact CG2-CE2 3.47Å; V207-F247 VanDerWaalsContact CG2-CE2 3.47Å; F245-F247 HydrophobicContact CB-CD1 4.14Å; F245-F247 HydrophobicContact CB-CD2 4.4Å; F245-F247 HydrophobicContact CB-CE1 4.13Å; F245-F247 HydrophobicContact CB-CE2 4.37Å; F245-F247 HydrophobicContact CB-CG 4.31Å; F245-F247 HydrophobicContact CB-CZ 4.24Å; F245-F247 AromaticContact CD1-CE1 3.73Å; F245-F247 HydrophobicContact CD1-CE1 3.73Å; F245-F247 HydrophobicContact CD1-CE2 4.19Å; F245-F247 AromaticContact CD1-CZ 3.51Å; F245-F247 HydrophobicContact CD1-CZ 3.51Å; F245-F247 HydrophobicContact CE1-CZ 4.25Å; F245-F247 HydrophobicContact CG-CE1 4.37Å; F245-F247 HydrophobicContact CG-CE2 4.47Å; F245-F247 HydrophobicContact CG-CZ 4.17Å; F245-F247 PolarHBondContact O-N 3.13Å; F247-K259 WeakPolarHBondContact O-CD 3.36Å; F247-V272 WeakPolarHBondContact CD1-O 3.38Å; F247-V272 HydrophobicContact CE1-CG1 4.11Å; F247-V272 WeakPolarHBondContact CE1-O 3.36Å; F247-L274 HydrophobicContact CB-CB 4.11Å; F247-L274 HydrophobicContact CD1-CB 3.39Å; F247-L274 HydrophobicContact CD1-CD1 4.46Å; F247-L274 HydrophobicContact CD2-CB 4.24Å; F247-L274 HydrophobicContact CD2-CD1 3.88Å; F247-L274 HydrophobicContact CE1-CB 3.71Å; F247-L274 HydrophobicContact CE2-CD1 3.95Å; F247-L274 HydrophobicContact CG-CB 3.67Å; F247-L274 HydrophobicContact CG-CD1 4.14Å; F247-L274 HydrophobicContact CG-CG 4.42Å; F247-L274 HydrophobicContact CZ-CB 4.27Å; F247-L274 HydrophobicContact CZ-CD1 4.27Å; F247-V293 HydrophobicContact CE1-CG1 3.87Å; F247-V293 HydrophobicContact CZ-CG1 3.83Å
248E97.3Very high97.4Very high0 Ų019.4 Ų19.40%08%0.082CC..  trans-79150.4-174-60-61176.400113S201 R203 S250 Y255 T257 K259 L274S201-E248 VanDerWaalsContact CB-O 3.23Å; S201-E248 WeakPolarHBondContact CB-O 3.34Å; S201-E248 PolarHBondContact OG-O 2.97Å; R203-E248 WeakPolarHBondContact CD-O 3.3Å; E248-S250 PolarHBondContact O-N 3.46Å; E248-Y255 HydrophobicContact CB-CD1 4.14Å; E248-Y255 HydrophobicContact CB-CE1 4.24Å; E248-Y255 HydrophobicContact CG-CD1 4.48Å; E248-T257 VanDerWaalsContact CD-OG1 3.23Å; E248-T257 PolarHBondContact OE1-N 3.23Å; E248-T257 PolarHBondContact OE1-OG1 2.83Å; E248-T257 VanDerWaalsContact OE1-OG1 3.07Å; E248-T257 WeakPolarHBondContact OE2-CB 3.36Å; E248-T257 WeakPolarHBondContact OE2-CG2 3.37Å; E248-T257 PolarHBondContact OE2-OG1 3Å; E248-K259 IonicContact OE2-NZ 3.44Å; E248-L274 WeakPolarHBondContact CB-O 3.17Å; E248-L274 PolarHBondContact N-O 3.11Å
249N96Very high97.5Very high18 Ų1820.1 Ų20.110%0.0969%0.086CC..SBendtrans-65.2-26.8177.7-65-26000112T199 A200 S201 R203T199-N249 VanDerWaalsContact CB-O 3.3Å; T199-N249 WeakPolarHBondContact CB-O 3.45Å; T199-N249 HydrophobicContact CG2-CB 4.32Å; A200-N249 PolarHBondContact N-O 3.16Å; S201-N249 PolarHBondContact N-O 3.3Å; S201-N249 PolarHBondContact OG-O 3.07Å; R203-N249 VanDerWaalsContact CZ-OD1 3.23Å; R203-N249 PolarHBondContact NH2-OD1 3.06Å; R203-N249 VanDerWaalsContact NH2-OD1 3.09Å
250S96Very high97.6Very high1 Ų116.2 Ų16.21%0.0077%0.071CC..SBendtrans-142.4144.4-178.5-57.30000110.3N141 E248 C252 Y255N141-S250 PolarHBondContact ND2-OG 3.18Å; E248-S250 PolarHBondContact O-N 3.46Å; S250-C252 VanDerWaalsContact C-N 3.33Å; S250-C252 WeakPolarHBondContact CB-SG 3.46Å; S250-C252 PolarHBondContact O-N 3.19Å; S250-Y255 WeakPolarHBondContact O-CD1 3.4Å
251R95.9Very high97.5Very high14 Ų1411.4 Ų11.45%0.0535%0.05CC..EExtended strand (participates in β ladder)trans-94.165.4176.1-63.1-179.8-62.8150.921110L274 G275 C362 K363 D365R251-L274 HydrophobicContact CG-CD2 4.29Å; R251-G275 VanDerWaalsContact CB-O 3.26Å; R251-G275 WeakPolarHBondContact CB-O 3.38Å; R251-G275 VanDerWaalsContact CG-O 3.26Å; R251-G275 WeakPolarHBondContact CG-O 3.28Å; R251-C362 CarbonylContact O-C 3.49Å; R251-C362 WeakPolarHBondContact O-CA 3.05Å; R251-K363 HydrophobicContact CB-CB 4.03Å; R251-K363 PolarHBondContact NH2-O 2.92Å; R251-K363 PolarHBondContact O-N 2.98Å; R251-D365 IonicContact CZ-OD1 3.63Å; R251-D365 PolarHBondContact NH1-O 3.34Å; R251-D365 IonicContact NH1-OD1 2.76Å; R251-D365 PolarHBondContact NH1-OD1 2.79Å; R251-D365 PolarHBondContact NH2-O 3.23Å; R251-D365 IonicContact NH2-OD1 2.71Å; R251-D365 PolarHBondContact NH2-OD1 3.42Å
252C96.8Very high97.4Very high0 Ų014.4 Ų14.40%06%0.064CC..EExtended strand (participates in β ladder)trans-105.4149.1-176.3-56.10000111.3A138 S250 D254 Y255 P276 I361 C362A138-C252 HydrophobicContact CB-CB 4.28Å; S250-C252 VanDerWaalsContact C-N 3.33Å; S250-C252 WeakPolarHBondContact CB-SG 3.46Å; S250-C252 PolarHBondContact O-N 3.19Å; C252-D254 PolarHBondContact O-N 2.99Å; C252-Y255 PolarHBondContact O-N 2.98Å; C252-Y255 VanDerWaalsContact O-N 3.16Å; C252-P276 WeakPolarHBondContact O-CB 3.13Å; C252-P276 VanDerWaalsContact O-CG 3.28Å; C252-P276 WeakPolarHBondContact O-CG 3.19Å; C252-I361 WeakPolarHBondContact CA-O 3.33Å; C252-C362 HydrophobicContact CB-CB 4.02Å; C252-C362 WeakPolarHBondContact CB-SG 3.37Å; C252-C362 WeakPolarHBondContact SG-CB 3.41Å; C252-C362 CovalentContact SG-SG 2.02Å; C252-C362 PolarHBondContact SG-SG 2.74Å
253R96.3Very high97.2Very high76 Ų7613.9 Ų13.929%0.2876%0.063SC..THydrogen-bonded Turntrans-47.5130.2173.7175-178.8174.4-163.7-1.2110.5Y157 D160 Y255 I361Y157-R253 VanDerWaalsContact CE2-O 3.27Å; Y157-R253 WeakPolarHBondContact CE2-O 3.41Å; D160-R253 IonicContact OD2-CZ 3.37Å; D160-R253 IonicContact OD2-NH1 3.58Å; D160-R253 PolarHBondContact OD2-NH1 3.08Å; D160-R253 IonicContact OD2-NH2 2.86Å; D160-R253 PolarHBondContact OD2-NH2 2.54Å; R253-Y255 PolarHBondContact O-N 3.15Å; R253-Y255 VanDerWaalsContact O-N 3.11Å; R253-I361 HydrophobicContact CB-CD1 3.73Å; R253-I361 HydrophobicContact CG-CD1 4.44Å; R253-I361 PolarHBondContact N-O 2.97Å
254D96.7Very high97.1Very high13 Ų1313.9 Ų13.97%0.076%0.063CC..THydrogen-bonded Turntrans62.90.8176.8-55.1-32.1000116Y157 R159 C252 I256Y157-D254 HydrophobicContact CD2-CB 4.23Å; Y157-D254 WeakPolarHBondContact CD2-O 3.15Å; Y157-D254 HydrophobicContact CE2-CB 4.37Å; R159-D254 HydrophobicContact CG-CB 4.15Å; R159-D254 PolarHBondContact N-OD2 2.92Å; C252-D254 PolarHBondContact O-N 2.99Å; D254-I256 PolarHBondContact O-N 3.11Å
255Y98.1Very high97.1Very high1 Ų114.2 Ų14.20%0.0046%0.064CC..  trans-78.990.7-177-172.9-111.5000111.6L136 E137 A138 Y157 Y167 E248 S250 C252 R253 T257 P276L136-Y255 WeakPolarHBondContact O-CE2 3.3Å; E137-Y255 PolarHBondContact OE2-OH 3.18Å; A138-Y255 HydrophobicContact CB-CD1 3.98Å; A138-Y255 HydrophobicContact CB-CD2 3.77Å; A138-Y255 HydrophobicContact CB-CE1 4.02Å; A138-Y255 HydrophobicContact CB-CE2 3.8Å; A138-Y255 HydrophobicContact CB-CG 3.84Å; A138-Y255 VanDerWaalsContact N-CE2 3.33Å; Y157-Y255 AromaticContact CD1-CD2 3.78Å; Y157-Y255 HydrophobicContact CD1-CD2 3.78Å; Y157-Y255 HydrophobicContact CD1-CE2 4.36Å; Y157-Y255 HydrophobicContact CD2-CD2 4.19Å; Y157-Y255 AromaticContact CE1-CD2 3.52Å; Y157-Y255 HydrophobicContact CE1-CD2 3.52Å; Y157-Y255 HydrophobicContact CE1-CE2 4.19Å; Y157-Y255 HydrophobicContact CE1-CG 4.43Å; Y157-Y255 AromaticContact CE2-CD2 4Å; Y157-Y255 HydrophobicContact CE2-CD2 4Å; Y157-Y255 HydrophobicContact CE2-CG 4.27Å; Y157-Y255 HydrophobicContact CG-CD2 4.1Å; Y157-Y255 AromaticContact CZ-CD2 3.66Å; Y167-Y255 HydrophobicContact CE2-CE2 4.36Å; E248-Y255 HydrophobicContact CB-CD1 4.14Å; E248-Y255 HydrophobicContact CB-CE1 4.24Å; E248-Y255 HydrophobicContact CG-CD1 4.48Å; S250-Y255 WeakPolarHBondContact O-CD1 3.4Å; C252-Y255 PolarHBondContact O-N 2.98Å; C252-Y255 VanDerWaalsContact O-N 3.16Å; R253-Y255 PolarHBondContact O-N 3.15Å; R253-Y255 VanDerWaalsContact O-N 3.11Å; Y255-T257 HydrophobicContact CD1-CG2 4.08Å; Y255-T257 HydrophobicContact CD2-CG2 4.06Å; Y255-T257 HydrophobicContact CE1-CG2 3.65Å; Y255-T257 HydrophobicContact CE2-CG2 3.64Å; Y255-T257 HydrophobicContact CG-CG2 4.29Å; Y255-T257 VanDerWaalsContact CZ-CG2 3.44Å; Y255-P276 VanDerWaalsContact O-CD 3.28Å; Y255-P276 WeakPolarHBondContact O-CD 3.29Å
256I98.3Very high96.9Very high7 Ų720.5 Ų20.54%0.0369%0.088CC..  trans-127.3123177.2-57.4169.7000107.8D254 L260 F261 P276 Y281 V284D254-I256 PolarHBondContact O-N 3.11Å; I256-L260 HydrophobicContact CG2-CB 4.01Å; I256-L260 HydrophobicContact CG2-CD1 4.29Å; I256-L260 HydrophobicContact CG2-CD2 4.13Å; I256-L260 HydrophobicContact CG2-CG 4.36Å; I256-F261 HydrophobicContact CB-CE2 4.29Å; I256-F261 HydrophobicContact CG2-CE2 3.65Å; I256-F261 HydrophobicContact CG2-CZ 3.97Å; I256-P276 HydrophobicContact CG1-CG 3.97Å; I256-Y281 HydrophobicContact CB-CE1 4.38Å; I256-Y281 HydrophobicContact CD1-CD1 3.61Å; I256-Y281 HydrophobicContact CD1-CD2 4.45Å; I256-Y281 HydrophobicContact CD1-CE1 3.88Å; I256-Y281 HydrophobicContact CD1-CG 3.92Å; I256-Y281 HydrophobicContact CG1-CD1 4.01Å; I256-Y281 HydrophobicContact CG1-CE1 3.71Å; I256-Y281 HydrophobicContact CG2-CD1 4.2Å; I256-Y281 HydrophobicContact CG2-CE1 3.83Å; I256-V284 HydrophobicContact CD1-CG2 3.62Å
257T98.1Very high96.8Very high0 Ų022.2 Ų22.20%010%0.095CC..  trans-116-173.6-15973.20000114.4Y167 E248 Y255 K259 L260 F261Y167-T257 HydrophobicContact CD2-CG2 3.87Å; Y167-T257 HydrophobicContact CE2-CG2 3.72Å; E248-T257 VanDerWaalsContact CD-OG1 3.23Å; E248-T257 PolarHBondContact OE1-N 3.23Å; E248-T257 PolarHBondContact OE1-OG1 2.83Å; E248-T257 VanDerWaalsContact OE1-OG1 3.07Å; E248-T257 WeakPolarHBondContact OE2-CB 3.36Å; E248-T257 WeakPolarHBondContact OE2-CG2 3.37Å; E248-T257 PolarHBondContact OE2-OG1 3Å; Y255-T257 HydrophobicContact CD1-CG2 4.08Å; Y255-T257 HydrophobicContact CD2-CG2 4.06Å; Y255-T257 HydrophobicContact CE1-CG2 3.65Å; Y255-T257 HydrophobicContact CE2-CG2 3.64Å; Y255-T257 HydrophobicContact CG-CG2 4.29Å; Y255-T257 VanDerWaalsContact CZ-CG2 3.44Å; T257-K259 PolarHBondContact O-N 3.13Å; T257-K259 PolarHBondContact OG1-N 3.17Å; T257-K259 PolarHBondContact OG1-NZ 2.95Å; T257-L260 PolarHBondContact O-N 3.17Å; T257-F261 VanDerWaalsContact O-CD2 3.23Å; T257-F261 WeakPolarHBondContact O-CD2 3.3Å; T257-F261 PolarHBondContact O-N 3.49Å
258E96.3Very high96.7Very high58 Ų5823 Ų2327%0.27110%0.099SC..Hα-helixtrans-54.6-24.3175.577.5-66.6157.600112.7Y167 L260 F261 E262 N263Y167-E258 HydrophobicContact CD1-CB 3.95Å; Y167-E258 WeakPolarHBondContact CD1-OE2 3.36Å; Y167-E258 WeakPolarHBondContact CE1-OE2 3.37Å; E258-L260 PolarHBondContact O-N 3.38Å; E258-F261 PolarHBondContact O-N 2.04Å; E258-E262 HydrophobicContact CB-CB 4.16Å; E258-E262 HydrophobicContact CB-CG 4.17Å; E258-E262 CarbonylContact O-C 3.41Å; E258-E262 WeakPolarHBondContact O-CA 3.22Å; E258-E262 WeakPolarHBondContact O-CB 3.5Å; E258-E262 PolarHBondContact O-N 3.29Å; E258-N263 PolarHBondContact O-N 2.89Å
259K97.4Very high96.7Very high15 Ų1523 Ų237%0.06510%0.099CC..Iπ-helixtrans-57.2-40176.4-66.5168-154.960.40111.6Y244 A246 F247 E248 T257 N263 A264Y244-K259 HydrophobicContact CE1-CB 4.32Å; Y244-K259 VanDerWaalsContact CE1-O 3.25Å; Y244-K259 WeakPolarHBondContact CE1-O 3.49Å; A246-K259 HydrophobicContact CB-CB 3.99Å; F247-K259 WeakPolarHBondContact O-CD 3.36Å; E248-K259 IonicContact OE2-NZ 3.44Å; T257-K259 PolarHBondContact O-N 3.13Å; T257-K259 PolarHBondContact OG1-N 3.17Å; T257-K259 PolarHBondContact OG1-NZ 2.95Å; K259-N263 WeakPolarHBondContact O-CB 3.27Å; K259-A264 PolarHBondContact O-N 2.79Å
260L98.4Very high96.9Very high0 Ų022.2 Ų22.20%010%0.095CC..Iπ-helixtrans-79.8-56176.5-175.4127.4000111A246 I256 T257 E258 A264 L265 P271 V273 Y281 L285A246-L260 HydrophobicContact CB-CB 4.36Å; I256-L260 HydrophobicContact CG2-CB 4.01Å; I256-L260 HydrophobicContact CG2-CD1 4.29Å; I256-L260 HydrophobicContact CG2-CD2 4.13Å; I256-L260 HydrophobicContact CG2-CG 4.36Å; T257-L260 PolarHBondContact O-N 3.17Å; E258-L260 PolarHBondContact O-N 3.38Å; L260-A264 WeakPolarHBondContact O-CB 3.37Å; L260-A264 PolarHBondContact O-N 3.46Å; L260-L265 HydrophobicContact CD2-CD1 3.77Å; L260-L265 HydrophobicContact CD2-CG 4.32Å; L260-L265 WeakPolarHBondContact O-CG 3.29Å; L260-L265 PolarHBondContact O-N 2.85Å; L260-P271 HydrophobicContact CD1-CB 4.17Å; L260-P271 HydrophobicContact CD1-CG 4.28Å; L260-P271 HydrophobicContact CG-CB 4.46Å; L260-V273 HydrophobicContact CD1-CG1 3.49Å; L260-V273 VanDerWaalsContact CD1-CG1 3.49Å; L260-Y281 HydrophobicContact CD1-CD1 4.02Å; L260-Y281 HydrophobicContact CD1-CE1 3.96Å; L260-L285 HydrophobicContact CD1-CD1 3.6Å; L260-L285 HydrophobicContact CD2-CD1 3.75Å; L260-L285 HydrophobicContact CD2-CD2 3.53Å; L260-L285 HydrophobicContact CD2-CG 4.21Å; L260-L285 HydrophobicContact CG-CD1 4.28Å
261F97.6Very high97Very high4 Ų422.2 Ų22.22%0.01810%0.095CC..Iπ-helixtrans-73.8-53.4-169.5-59.6-75.8000112.8G168 V170 I256 T257 E258 L265 R266 L285 L328G168-F261 VanDerWaalsContact O-CZ 3.28Å; G168-F261 WeakPolarHBondContact O-CZ 3.36Å; V170-F261 HydrophobicContact CG2-CD1 4.37Å; V170-F261 HydrophobicContact CG2-CE1 4.26Å; I256-F261 HydrophobicContact CB-CE2 4.29Å; I256-F261 HydrophobicContact CG2-CE2 3.65Å; I256-F261 HydrophobicContact CG2-CZ 3.97Å; T257-F261 VanDerWaalsContact O-CD2 3.23Å; T257-F261 WeakPolarHBondContact O-CD2 3.3Å; T257-F261 PolarHBondContact O-N 3.49Å; E258-F261 PolarHBondContact O-N 2.04Å; F261-L265 HydrophobicContact CD1-CD1 4.24Å; F261-R266 PolarHBondContact O-N 2.88Å; F261-R266 VanDerWaalsContact O-N 3.17Å; F261-L285 HydrophobicContact CE1-CD2 3.91Å; F261-L328 HydrophobicContact CB-CD2 4.24Å; F261-L328 HydrophobicContact CD1-CD2 3.93Å
262E94.5Very high97.1Very high65 Ų6521.5 Ų21.530%0.3049%0.092SC..Iπ-helixtrans-87.3-34.4-173.1-62.7-58.9143.600112.7E258 R266 Y267E258-E262 HydrophobicContact CB-CB 4.16Å; E258-E262 HydrophobicContact CB-CG 4.17Å; E258-E262 CarbonylContact O-C 3.41Å; E258-E262 WeakPolarHBondContact O-CA 3.22Å; E258-E262 WeakPolarHBondContact O-CB 3.5Å; E258-E262 PolarHBondContact O-N 3.29Å; E262-R266 WeakPolarHBondContact O-CB 3.4Å; E262-R266 WeakPolarHBondContact OE2-CD 3.26Å; E262-R266 IonicContact OE2-CZ 3.85Å; E262-R266 IonicContact OE2-NE 2.84Å; E262-R266 IonicContact OE2-NH1 3.57Å; E262-R266 PolarHBondContact OE2-NH1 3.19Å; E262-Y267 WeakPolarHBondContact O-CD2 3.29Å; E262-Y267 WeakPolarHBondContact O-CE2 3.19Å
263N95.2Very high97.2Very high18 Ų1821.5 Ų21.510%0.0969%0.092CC..Iπ-helixtrans-90.7-37.8-176.3-55.2-14.4000112.6W235 L238 Y244 E258 K259 Y267W235-N263 HydrophobicContact CZ3-CB 4.3Å; W235-N263 WeakPolarHBondContact CZ3-OD1 3.39Å; L238-N263 HydrophobicContact CD1-CB 4.5Å; L238-N263 WeakPolarHBondContact CD1-O 3.11Å; Y244-N263 HydrophobicContact CE1-CB 3.78Å; Y244-N263 HydrophobicContact CE2-CB 3.94Å; Y244-N263 VanDerWaalsContact CZ-CB 3.45Å; Y244-N263 WeakPolarHBondContact OH-CB 3.45Å; Y244-N263 PolarHBondContact OH-ND2 2.86Å; E258-N263 PolarHBondContact O-N 2.89Å; K259-N263 WeakPolarHBondContact O-CB 3.27Å; N263-Y267 WeakPolarHBondContact O-CD2 3.23Å
264A97.7Very high97.3Very high0 Ų017.9 Ų17.90%08%0.078CC..Iπ-helixtrans-95.1-65.2-179.100000112.7Y244 K259 L260 R266 Y267 D268 V269 P271Y244-A264 HydrophobicContact CD1-CB 3.85Å; Y244-A264 HydrophobicContact CG-CB 4.18Å; K259-A264 PolarHBondContact O-N 2.79Å; L260-A264 WeakPolarHBondContact O-CB 3.37Å; L260-A264 PolarHBondContact O-N 3.46Å; A264-R266 PolarHBondContact O-N 2.95Å; A264-Y267 CarbonylContact O-C 3.53Å; A264-Y267 PolarHBondContact O-N 2.81Å; A264-D268 PolarHBondContact O-N 3.29Å; A264-V269 CarbonylContact C-O 3.55Å; A264-V269 PolarHBondContact O-N 3.3Å; A264-V269 VanDerWaalsContact O-N 3.1Å; A264-P271 HydrophobicContact CB-CB 3.68Å; A264-P271 HydrophobicContact CB-CG 4.31Å
265L97.1Very high97.3Very high7 Ų717.5 Ų17.54%0.0378%0.078CC..G310 helixtrans-63.4-40.8-170.4-62.3-177.1000112.7V170 L260 F261 Y267 D268 P271 L285 W322 L328V170-L265 HydrophobicContact CG2-CD1 3.92Å; L260-L265 HydrophobicContact CD2-CD1 3.77Å; L260-L265 HydrophobicContact CD2-CG 4.32Å; L260-L265 WeakPolarHBondContact O-CG 3.29Å; L260-L265 PolarHBondContact O-N 2.85Å; F261-L265 HydrophobicContact CD1-CD1 4.24Å; L265-Y267 VanDerWaalsContact C-N 3.29Å; L265-Y267 PolarHBondContact O-N 2.95Å; L265-D268 PolarHBondContact O-N 2.67Å; L265-P271 HydrophobicContact CD2-CG 3.93Å; L265-L285 HydrophobicContact CD1-CD2 4.07Å; L265-W322 HydrophobicContact CB-CH2 4.38Å; L265-W322 HydrophobicContact CB-CZ2 4.27Å; L265-W322 HydrophobicContact CD2-CZ2 3.81Å; L265-W322 HydrophobicContact CG-CZ2 4.43Å; L265-L328 HydrophobicContact CD1-CD2 4.46Å
266R94.8Very high97.1Very high133 Ų13317.5 Ų17.550%0.5028%0.077SC..G310 helixtrans-63.9-30.4177.9-175.2175.8-172.1124.56.3113.9R239 F261 E262 A264 L328R239-R266 PolarHBondContact NH2-O 3.23Å; F261-R266 PolarHBondContact O-N 2.88Å; F261-R266 VanDerWaalsContact O-N 3.17Å; E262-R266 WeakPolarHBondContact O-CB 3.4Å; E262-R266 WeakPolarHBondContact OE2-CD 3.26Å; E262-R266 IonicContact OE2-CZ 3.85Å; E262-R266 IonicContact OE2-NE 2.84Å; E262-R266 IonicContact OE2-NH1 3.57Å; E262-R266 PolarHBondContact OE2-NH1 3.19Å; A264-R266 PolarHBondContact O-N 2.95Å; R266-L328 HydrophobicContact CB-CD1 4.26Å
267Y95.8Very high97Very high36 Ų3618.4 Ų18.414%0.1418%0.084CC..G310 helixtrans-102.116-178.2-67-78.5000113.2W235 L238 R239 E262 N263 A264 L265 V269W235-Y267 HydrophobicContact CB-CE1 3.95Å; W235-Y267 HydrophobicContact CB-CE2 4.24Å; W235-Y267 WeakPolarHBondContact CB-OH 3.42Å; W235-Y267 HydrophobicContact CE3-CE2 4.44Å; W235-Y267 WeakPolarHBondContact O-CD1 3.27Å; L238-Y267 HydrophobicContact CB-CG 4.15Å; L238-Y267 HydrophobicContact CD1-CD2 3.97Å; L238-Y267 HydrophobicContact CD1-CG 4.27Å; R239-Y267 HydrophobicContact CG-CD1 4.27Å; R239-Y267 WeakPolarHBondContact CG-O 3.23Å; E262-Y267 WeakPolarHBondContact O-CD2 3.29Å; E262-Y267 WeakPolarHBondContact O-CE2 3.19Å; N263-Y267 WeakPolarHBondContact O-CD2 3.23Å; A264-Y267 CarbonylContact O-C 3.53Å; A264-Y267 PolarHBondContact O-N 2.81Å; L265-Y267 VanDerWaalsContact C-N 3.29Å; L265-Y267 PolarHBondContact O-N 2.95Å; Y267-V269 VanDerWaalsContact C-N 3.27Å; Y267-V269 WeakPolarHBondContact O-CG2 3.13Å; Y267-V269 PolarHBondContact O-N 3.15Å
268D96.4Very high96.9Very high16 Ų1621 Ų219%0.08610%0.095CC..THydrogen-bonded Turntrans58.639.3174.2-48.8-14.2000112.5V181 K186 R239 A264 L265 F320 K323V181-D268 HydrophobicContact CG1-CB 3.91Å; V181-D268 HydrophobicContact CG2-CB 4.22Å; K186-D268 WeakPolarHBondContact CE-O 3.42Å; K186-D268 PolarHBondContact NZ-O 2.82Å; R239-D268 IonicContact CZ-OD2 2.81Å; R239-D268 IonicContact NH1-OD1 3.93Å; R239-D268 IonicContact NH1-OD2 3.94Å; R239-D268 PolarHBondContact NH1-OD2 3.26Å; A264-D268 PolarHBondContact O-N 3.29Å; L265-D268 PolarHBondContact O-N 2.67Å; D268-F320 VanDerWaalsContact C-CE1 3.4Å; D268-F320 HydrophobicContact CB-CE1 4.22Å; D268-F320 VanDerWaalsContact O-CE1 3.27Å; D268-F320 WeakPolarHBondContact O-CE1 3.25Å; D268-F320 WeakPolarHBondContact O-CZ 3.39Å; D268-K323 IonicContact OD1-NZ 3.63Å; D268-K323 PolarHBondContact OD1-NZ 3.3Å; D268-K323 IonicContact OD2-NZ 3.32Å
269V98.2Very high96.9Very high1 Ų124.4 Ų24.41%0.00611%0.106CC..  trans-112138177.3-166.10000108.8L238 K242 A264 Y267 P271L238-V269 HydrophobicContact CB-CG2 4.29Å; L238-V269 WeakPolarHBondContact O-CG2 3.39Å; K242-V269 WeakPolarHBondContact O-CG1 3.38Å; A264-V269 CarbonylContact C-O 3.55Å; A264-V269 PolarHBondContact O-N 3.3Å; A264-V269 VanDerWaalsContact O-N 3.1Å; Y267-V269 VanDerWaalsContact C-N 3.27Å; Y267-V269 WeakPolarHBondContact O-CG2 3.13Å; Y267-V269 PolarHBondContact O-N 3.15Å; V269-P271 VanDerWaalsContact O-CD 3.25Å; V269-P271 WeakPolarHBondContact O-CD 3.22Å
270V98.7Very high96.8Very high1 Ų124.1 Ų24.11%0.00611%0.105CC..EExtended strand (participates in β ladder)trans-70.5118177.5-179.90000108.7K242 F243 Y244 V272 I291 Y316 F319 F320K242-V270 PolarHBondContact O-N 2.88Å; F243-V270 WeakPolarHBondContact CA-O 3.28Å; F243-V270 HydrophobicContact CD1-CB 3.9Å; F243-V270 HydrophobicContact CD1-CG1 4.23Å; F243-V270 HydrophobicContact CE1-CB 4.23Å; F243-V270 HydrophobicContact CE1-CG1 4.4Å; Y244-V270 PolarHBondContact N-O 2.89Å; V270-V272 PolarHBondContact O-N 2.75Å; V270-I291 HydrophobicContact CG1-CD1 3.77Å; V270-I291 HydrophobicContact CG1-CG1 4.12Å; V270-Y316 HydrophobicContact CB-CE2 4.45Å; V270-Y316 HydrophobicContact CG2-CD2 4.27Å; V270-Y316 HydrophobicContact CG2-CE2 3.59Å; V270-F319 HydrophobicContact CG1-CB 4.27Å; V270-F319 HydrophobicContact CG1-CD1 3.61Å; V270-F319 HydrophobicContact CG1-CE1 4.13Å; V270-F319 HydrophobicContact CG1-CG 3.99Å; V270-F319 HydrophobicContact CG2-CB 3.61Å; V270-F319 HydrophobicContact CG2-CD1 4.49Å; V270-F319 HydrophobicContact CG2-CG 4.06Å; V270-F320 HydrophobicContact CG2-CE1 4.46Å; V270-F320 HydrophobicContact CG2-CE2 3.64Å; V270-F320 HydrophobicContact CG2-CZ 3.55Å
271P98.8Very high96.8Very high1 Ų124.1 Ų24.11%0.00611%0.105CC..EExtended strand (participates in β ladder)trans-73.4129.4177.527.3-30.3000110.6Y244 A246 L260 A264 L265 V269 V273 S289 F290 I291Y244-P271 WeakPolarHBondContact O-CA 3.37Å; A246-P271 HydrophobicContact CB-CB 4.32Å; L260-P271 HydrophobicContact CD1-CB 4.17Å; L260-P271 HydrophobicContact CD1-CG 4.28Å; L260-P271 HydrophobicContact CG-CB 4.46Å; A264-P271 HydrophobicContact CB-CB 3.68Å; A264-P271 HydrophobicContact CB-CG 4.31Å; L265-P271 HydrophobicContact CD2-CG 3.93Å; V269-P271 VanDerWaalsContact O-CD 3.25Å; V269-P271 WeakPolarHBondContact O-CD 3.22Å; P271-V273 HydrophobicContact CB-CG1 3.97Å; P271-S289 WeakPolarHBondContact CD-O 3.5Å; P271-F290 HydrophobicContact CG-CB 3.76Å; P271-F290 WeakPolarHBondContact O-CA 3.43Å; P271-I291 PolarHBondContact O-N 2.78Å
272V98.9Very high96.8Very high0 Ų029.1 Ų29.10%013%0.128CC..EExtended strand (participates in β ladder)trans-101.8120.4163.2-173.40000106.9F243 Y244 F245 A246 F247 V270 I291 V293 L302 L306F243-V272 HydrophobicContact CB-CG2 4.09Å; F243-V272 HydrophobicContact CD1-CG2 4.28Å; F243-V272 HydrophobicContact CG-CG2 4.45Å; Y244-V272 PolarHBondContact O-N 2.8Å; F245-V272 CarbonylContact C-O 3.52Å; F245-V272 WeakPolarHBondContact CA-O 3.28Å; F245-V272 HydrophobicContact CD1-CB 3.67Å; F245-V272 HydrophobicContact CD1-CG1 3.88Å; F245-V272 HydrophobicContact CD1-CG2 4.3Å; F245-V272 HydrophobicContact CE1-CB 3.9Å; F245-V272 HydrophobicContact CE1-CG1 3.88Å; F245-V272 HydrophobicContact CE1-CG2 4.14Å; A246-V272 PolarHBondContact N-O 3.19Å; F247-V272 WeakPolarHBondContact CD1-O 3.38Å; F247-V272 HydrophobicContact CE1-CG1 4.11Å; F247-V272 WeakPolarHBondContact CE1-O 3.36Å; V270-V272 PolarHBondContact O-N 2.75Å; V272-I291 CarbonylContact C-O 3.54Å; V272-I291 VanDerWaalsContact CA-O 3.3Å; V272-I291 WeakPolarHBondContact CA-O 3.24Å; V272-I291 HydrophobicContact CG1-CG2 4.35Å; V272-I291 HydrophobicContact CG2-CB 4.28Å; V272-I291 HydrophobicContact CG2-CD1 4.33Å; V272-V293 HydrophobicContact CG1-CG1 4.45Å; V272-L302 HydrophobicContact CG1-CD1 4.06Å; V272-L302 HydrophobicContact CG1-CD2 4.07Å; V272-L306 HydrophobicContact CG2-CD1 4.12Å; V272-L306 HydrophobicContact CG2-CD2 3.85Å
273V98.6Very high96.9Very high0 Ų029.9 Ų29.90%013%0.132CC..EExtended strand (participates in β ladder)trans-118.2146.6-163.9-51.90000112.3A246 L260 P271 Y281 F290 I291 H292 V293A246-V273 HydrophobicContact CB-CG1 4.3Å; L260-V273 HydrophobicContact CD1-CG1 3.49Å; L260-V273 VanDerWaalsContact CD1-CG1 3.49Å; P271-V273 HydrophobicContact CB-CG1 3.97Å; V273-Y281 HydrophobicContact CB-CD1 4.33Å; V273-Y281 HydrophobicContact CB-CE1 3.71Å; V273-Y281 HydrophobicContact CB-CE2 4.37Å; V273-Y281 HydrophobicContact CG1-CD1 4.35Å; V273-Y281 HydrophobicContact CG1-CE1 3.92Å; V273-Y281 HydrophobicContact CG2-CD1 3.98Å; V273-Y281 HydrophobicContact CG2-CD2 4.11Å; V273-Y281 HydrophobicContact CG2-CE1 3.78Å; V273-Y281 HydrophobicContact CG2-CE2 3.89Å; V273-Y281 HydrophobicContact CG2-CG 4.14Å; V273-F290 HydrophobicContact CG1-CB 4.46Å; V273-F290 HydrophobicContact CG2-CD2 3.72Å; V273-F290 HydrophobicContact CG2-CE2 4.22Å; V273-I291 PolarHBondContact N-O 2.71Å; V273-H292 HydrophobicContact CG2-CB 4.21Å; V273-H292 WeakPolarHBondContact CG2-CD2 3.39Å; V273-V293 WeakPolarHBondContact O-CG1 3.17Å; V273-V293 PolarHBondContact O-N 3.19Å; V273-V293 VanDerWaalsContact O-N 3.09Å
274L97.1Very high96.9Very high0 Ų030.7 Ų30.70%014%0.137CC..EExtended strand (participates in β ladder)trans-146.3116176.8175.8166.3000106.4R203 Y206 F247 E248 R251 V293 W368R203-L274 HydrophobicContact CB-CD1 4.37Å; R203-L274 HydrophobicContact CB-CD2 4.04Å; Y206-L274 HydrophobicContact CD1-CD1 4.26Å; Y206-L274 HydrophobicContact CD2-CD1 4.34Å; Y206-L274 HydrophobicContact CG-CD1 3.94Å; F247-L274 HydrophobicContact CB-CB 4.11Å; F247-L274 HydrophobicContact CD1-CB 3.39Å; F247-L274 HydrophobicContact CD1-CD1 4.46Å; F247-L274 HydrophobicContact CD2-CB 4.24Å; F247-L274 HydrophobicContact CD2-CD1 3.88Å; F247-L274 HydrophobicContact CE1-CB 3.71Å; F247-L274 HydrophobicContact CE2-CD1 3.95Å; F247-L274 HydrophobicContact CG-CB 3.67Å; F247-L274 HydrophobicContact CG-CD1 4.14Å; F247-L274 HydrophobicContact CG-CG 4.42Å; F247-L274 HydrophobicContact CZ-CB 4.27Å; F247-L274 HydrophobicContact CZ-CD1 4.27Å; E248-L274 WeakPolarHBondContact CB-O 3.17Å; E248-L274 PolarHBondContact N-O 3.11Å; R251-L274 HydrophobicContact CG-CD2 4.29Å; L274-V293 HydrophobicContact CB-CG1 4.1Å; L274-V293 HydrophobicContact CB-CG2 3.81Å; L274-V293 HydrophobicContact CD1-CG1 4.44Å; L274-V293 HydrophobicContact CD1-CG2 4.24Å; L274-V293 HydrophobicContact CG-CG2 3.94Å; L274-W368 HydrophobicContact CD1-CH2 3.27Å; L274-W368 HydrophobicContact CD1-CZ2 3.66Å; L274-W368 HydrophobicContact CD1-CZ3 3.8Å; L274-W368 HydrophobicContact CD2-CH2 3.53Å; L274-W368 HydrophobicContact CD2-CZ2 4.3Å; L274-W368 HydrophobicContact CD2-CZ3 4.33Å; L274-W368 HydrophobicContact CG-CH2 3.35Å; L274-W368 HydrophobicContact CG-CZ2 4.21Å; L274-W368 HydrophobicContact CG-CZ3 3.75Å
275G96.5Very high96.9Very high5 Ų531.1 Ų31.15%0.05214%0.139CC..SBendtrans-179-128.6-171.800000110.7R251 Y281R251-G275 VanDerWaalsContact CB-O 3.26Å; R251-G275 WeakPolarHBondContact CB-O 3.38Å; R251-G275 VanDerWaalsContact CG-O 3.26Å; R251-G275 WeakPolarHBondContact CG-O 3.28Å; G275-Y281 WeakPolarHBondContact CA-OH 3.33Å
276P95.6Very high96.9Very high0 Ų031.1 Ų31.10%014%0.139CC..SBendtrans-59.3168.8169.53.8-2000112.6C252 Y255 I256 Q280 Y281 H292C252-P276 WeakPolarHBondContact O-CB 3.13Å; C252-P276 VanDerWaalsContact O-CG 3.28Å; C252-P276 WeakPolarHBondContact O-CG 3.19Å; Y255-P276 VanDerWaalsContact O-CD 3.28Å; Y255-P276 WeakPolarHBondContact O-CD 3.29Å; I256-P276 HydrophobicContact CG1-CG 3.97Å; P276-Q280 HydrophobicContact CB-CB 4.19Å; P276-Y281 HydrophobicContact CG-CE2 4.2Å; P276-Y281 WeakPolarHBondContact O-CE2 3.3Å; P276-H292 PolarHBondContact O-NE2 2.79Å; P276-H292 VanDerWaalsContact O-NE2 3.12Å
277P94.8Very high96.9Very high27 Ų2730 Ų3018%0.17515%0.15CC..  trans-56.3149175-24.734.5000113W279 Q280P277-W279 VanDerWaalsContact C-N 3.26Å; P277-W279 PolarHBondContact O-N 2.88Å; P277-W279 VanDerWaalsContact O-N 3.08Å; P277-Q280 WeakPolarHBondContact O-CB 3.32Å; P277-Q280 PolarHBondContact O-N 3.04Å
278K96.4Very high97Very high55 Ų5532.3 Ų32.324%0.23917%0.165CC..Hα-helixtrans-47.2-44.1-177-179.4175.2174.2173.80114.4Q280 Y281 E282 F290 H292 E294 D295K278-Q280 PolarHBondContact O-N 2.92Å; K278-Q280 VanDerWaalsContact O-N 3.07Å; K278-Y281 WeakPolarHBondContact O-CB 3.07Å; K278-Y281 PolarHBondContact O-N 3.31Å; K278-E282 WeakPolarHBondContact CE-OE1 3.47Å; K278-E282 HydrophobicContact CG-CG 4.24Å; K278-E282 PolarHBondContact O-N 2.85Å; K278-E282 VanDerWaalsContact O-N 3.07Å; K278-F290 HydrophobicContact CG-CE2 4.27Å; K278-F290 HydrophobicContact CG-CZ 4.36Å; K278-H292 HydrophobicContact CB-CB 4.21Å; K278-H292 HydrophobicContact CD-CB 4Å; K278-H292 HydrophobicContact CG-CB 3.97Å; K278-E294 PolarHBondContact N-OE2 3.42Å; K278-E294 VanDerWaalsContact N-OE2 3.1Å; K278-D295 VanDerWaalsContact CD-OD1 3.27Å; K278-D295 WeakPolarHBondContact CD-OD1 3.3Å; K278-D295 IonicContact NZ-OD1 3.89Å; K278-D295 PolarHBondContact NZ-OD1 3.47Å; K278-D295 IonicContact NZ-OD2 3.77Å; K278-D295 PolarHBondContact NZ-OD2 2.87Å
279W96.2Very high97.1Very high129 Ų12931.7 Ų31.749%0.48916%0.161SC..Hα-helixtrans-59.1-24.3-177.467-97.2000113.7P277 E282 Q283P277-W279 VanDerWaalsContact C-N 3.26Å; P277-W279 PolarHBondContact O-N 2.88Å; P277-W279 VanDerWaalsContact O-N 3.08Å; W279-E282 WeakPolarHBondContact CA-OE2 3.44Å; W279-E282 PolarHBondContact O-N 2.83Å; W279-Q283 HydrophobicContact CE3-CG 4.43Å; W279-Q283 WeakPolarHBondContact O-CG 3.31Å; W279-Q283 PolarHBondContact O-N 2.85Å
280Q96.4Very high97.1Very high9 Ų932.6 Ų32.64%0.04217%0.165CC..Hα-helixtrans-77.6-34.1175.8-66.3-17921.200112.2P276 P277 K278 E282 Q283P276-Q280 HydrophobicContact CB-CB 4.19Å; P277-Q280 WeakPolarHBondContact O-CB 3.32Å; P277-Q280 PolarHBondContact O-N 3.04Å; K278-Q280 PolarHBondContact O-N 2.92Å; K278-Q280 VanDerWaalsContact O-N 3.07Å; Q280-E282 VanDerWaalsContact C-N 3.33Å; Q280-Q283 PolarHBondContact O-N 3.13Å
281Y98.1Very high97.1Very high0 Ų032.8 Ų32.80%017%0.166CC..Hα-helixtrans-64-41.4168.4-71.9-88.5000110.6I256 L260 V273 G275 P276 K278 Q283 V284 L285 F290 H292I256-Y281 HydrophobicContact CB-CE1 4.38Å; I256-Y281 HydrophobicContact CD1-CD1 3.61Å; I256-Y281 HydrophobicContact CD1-CD2 4.45Å; I256-Y281 HydrophobicContact CD1-CE1 3.88Å; I256-Y281 HydrophobicContact CD1-CG 3.92Å; I256-Y281 HydrophobicContact CG1-CD1 4.01Å; I256-Y281 HydrophobicContact CG1-CE1 3.71Å; I256-Y281 HydrophobicContact CG2-CD1 4.2Å; I256-Y281 HydrophobicContact CG2-CE1 3.83Å; L260-Y281 HydrophobicContact CD1-CD1 4.02Å; L260-Y281 HydrophobicContact CD1-CE1 3.96Å; V273-Y281 HydrophobicContact CB-CD1 4.33Å; V273-Y281 HydrophobicContact CB-CE1 3.71Å; V273-Y281 HydrophobicContact CB-CE2 4.37Å; V273-Y281 HydrophobicContact CG1-CD1 4.35Å; V273-Y281 HydrophobicContact CG1-CE1 3.92Å; V273-Y281 HydrophobicContact CG2-CD1 3.98Å; V273-Y281 HydrophobicContact CG2-CD2 4.11Å; V273-Y281 HydrophobicContact CG2-CE1 3.78Å; V273-Y281 HydrophobicContact CG2-CE2 3.89Å; V273-Y281 HydrophobicContact CG2-CG 4.14Å; G275-Y281 WeakPolarHBondContact CA-OH 3.33Å; P276-Y281 HydrophobicContact CG-CE2 4.2Å; P276-Y281 WeakPolarHBondContact O-CE2 3.3Å; K278-Y281 WeakPolarHBondContact O-CB 3.07Å; K278-Y281 PolarHBondContact O-N 3.31Å; Y281-Q283 PolarHBondContact O-N 3.16Å; Y281-V284 PolarHBondContact O-N 3.37Å; Y281-V284 VanDerWaalsContact O-N 3.12Å; Y281-L285 HydrophobicContact CD1-CD1 4.12Å; Y281-L285 WeakPolarHBondContact O-CB 3.38Å; Y281-L285 PolarHBondContact O-N 3.05Å; Y281-F290 VanDerWaalsContact CB-CZ 3.41Å; Y281-F290 HydrophobicContact CG-CE2 4.15Å; Y281-F290 HydrophobicContact CG-CZ 4.48Å; Y281-H292 AromaticContact CD2-CD2 3.5Å; Y281-H292 VanDerWaalsContact CD2-CD2 3.5Å; Y281-H292 WeakPolarHBondContact CD2-CD2 3.25Å; Y281-H292 AromaticContact CD2-NE2 3.53Å; Y281-H292 AromaticContact CE2-CD2 3.7Å; Y281-H292 AromaticContact CE2-NE2 3.4Å; Y281-H292 WeakPolarHBondContact CE2-NE2 3.45Å
282E97.3Very high97.1Very high109 Ų10932.8 Ų32.851%0.50917%0.166SC..Hα-helixtrans-63.8-24177.2-63.2177.1148.300113.4K278 W279 Q280 F290K278-E282 WeakPolarHBondContact CE-OE1 3.47Å; K278-E282 HydrophobicContact CG-CG 4.24Å; K278-E282 PolarHBondContact O-N 2.85Å; K278-E282 VanDerWaalsContact O-N 3.07Å; W279-E282 WeakPolarHBondContact CA-OE2 3.44Å; W279-E282 PolarHBondContact O-N 2.83Å; Q280-E282 VanDerWaalsContact C-N 3.33Å; E282-F290 HydrophobicContact CG-CE1 4.29Å; E282-F290 HydrophobicContact CG-CZ 3.81Å
283Q95.5Very high97Very high81 Ų8133.1 Ų33.138%0.37917%0.168SC..Hα-helixtrans-74.8-23.2175.1-78.1179.7-23.300113.9R159 W279 Q280 Y281R159-Q283 VanDerWaalsContact NH1-CD 3.29Å; W279-Q283 HydrophobicContact CE3-CG 4.43Å; W279-Q283 WeakPolarHBondContact O-CG 3.31Å; W279-Q283 PolarHBondContact O-N 2.85Å; Q280-Q283 PolarHBondContact O-N 3.13Å; Y281-Q283 PolarHBondContact O-N 3.16Å
284V96.4Very high96.7Very high34 Ų3437.4 Ų37.421%0.20619%0.188CC..Hα-helixtrans-119.6-7.9-173.1-53.40000113.5I256 Y281I256-V284 HydrophobicContact CD1-CG2 3.62Å; Y281-V284 PolarHBondContact O-N 3.37Å; Y281-V284 VanDerWaalsContact O-N 3.12Å
285L97.9Very high96.7Very high10 Ų1041.2 Ų41.25%0.05221%0.209CC..SBendtrans-121.8147.7-179.6-60.1177.4000112.1V170 L260 F261 L265 Y281 F290V170-L285 HydrophobicContact CG2-CD2 3.95Å; L260-L285 HydrophobicContact CD1-CD1 3.6Å; L260-L285 HydrophobicContact CD2-CD1 3.75Å; L260-L285 HydrophobicContact CD2-CD2 3.53Å; L260-L285 HydrophobicContact CD2-CG 4.21Å; L260-L285 HydrophobicContact CG-CD1 4.28Å; F261-L285 HydrophobicContact CE1-CD2 3.91Å; L265-L285 HydrophobicContact CD1-CD2 4.07Å; Y281-L285 HydrophobicContact CD1-CD1 4.12Å; Y281-L285 WeakPolarHBondContact O-CB 3.38Å; Y281-L285 PolarHBondContact O-N 3.05Å; L285-F290 HydrophobicContact CB-CD1 4.07Å; L285-F290 HydrophobicContact CB-CE1 4.18Å; L285-F290 HydrophobicContact CD1-CB 4.3Å; L285-F290 HydrophobicContact CD1-CD1 3.69Å; L285-F290 HydrophobicContact CD1-CE1 4.21Å; L285-F290 HydrophobicContact CD1-CG 4.05Å
286P96.9Very high96.7Very high6 Ų642.8 Ų42.84%0.03921%0.214CC..  trans-58.4149.6171.3-24.235.5000111.8V170 S289 W322 Y326V170-P286 HydrophobicContact CG1-CG 3.63Å; P286-S289 WeakPolarHBondContact O-CB 3.23Å; P286-S289 PolarHBondContact O-N 2.91Å; P286-S289 PolarHBondContact O-OG 2.92Å; P286-W322 HydrophobicContact CB-CB 3.47Å; P286-W322 VanDerWaalsContact CB-CB 3.47Å; P286-W322 HydrophobicContact CB-CG 4.22Å; P286-W322 HydrophobicContact CG-CB 3.81Å; P286-W322 HydrophobicContact CG-CD2 4.36Å; P286-W322 HydrophobicContact CG-CE3 4.25Å; P286-W322 HydrophobicContact CG-CG 4.23Å; P286-Y326 HydrophobicContact CB-CD2 3.97Å; P286-Y326 HydrophobicContact CB-CE2 3.94Å; P286-Y326 HydrophobicContact CB-CG 4.47Å; P286-Y326 HydrophobicContact CG-CD1 4.06Å; P286-Y326 HydrophobicContact CG-CD2 3.69Å; P286-Y326 HydrophobicContact CG-CE1 4.41Å; P286-Y326 HydrophobicContact CG-CE2 4.07Å; P286-Y326 HydrophobicContact CG-CG 3.71Å
287P95.4Very high96.6Very high111 Ų11145.3 Ų45.372%0.72123%0.229SC*.THydrogen-bonded Turntrans-53.8147.8171.8-2534000111.9S289P287-S289 PolarHBondContact O-N 3.28Å
288N96.7Very high96.6Very high84 Ų8444.7 Ų44.745%0.44923%0.226SC..THydrogen-bonded Turntrans55.632.8177.9-162.652.4000114.2S318 F319N288-S318 PolarHBondContact ND2-O 2.75Å; N288-S318 PolarHBondContact ND2-OG 3.19Å; N288-S318 VanDerWaalsContact ND2-OG 3.13Å; N288-F319 VanDerWaalsContact O-CA 3.3Å; N288-F319 WeakPolarHBondContact O-CA 3.42Å
289S98.1Very high96.6Very high2 Ų243 Ų431%0.01422%0.22CC..SBendtrans-109.3-4.1179.566.10000114.4P271 P286 P287P271-S289 WeakPolarHBondContact CD-O 3.5Å; P286-S289 WeakPolarHBondContact O-CB 3.23Å; P286-S289 PolarHBondContact O-N 2.91Å; P286-S289 PolarHBondContact O-OG 2.92Å; P287-S289 PolarHBondContact O-N 3.28Å
290F98.7Very high96.7Very high20 Ų2041.2 Ų41.29%0.08822%0.216CC..  trans-152.4164.7-177.470.2-82000111P271 V273 K278 Y281 E282 L285 H292P271-F290 HydrophobicContact CG-CB 3.76Å; P271-F290 WeakPolarHBondContact O-CA 3.43Å; V273-F290 HydrophobicContact CG1-CB 4.46Å; V273-F290 HydrophobicContact CG2-CD2 3.72Å; V273-F290 HydrophobicContact CG2-CE2 4.22Å; K278-F290 HydrophobicContact CG-CE2 4.27Å; K278-F290 HydrophobicContact CG-CZ 4.36Å; Y281-F290 VanDerWaalsContact CB-CZ 3.41Å; Y281-F290 HydrophobicContact CG-CE2 4.15Å; Y281-F290 HydrophobicContact CG-CZ 4.48Å; E282-F290 HydrophobicContact CG-CE1 4.29Å; E282-F290 HydrophobicContact CG-CZ 3.81Å; L285-F290 HydrophobicContact CB-CD1 4.07Å; L285-F290 HydrophobicContact CB-CE1 4.18Å; L285-F290 HydrophobicContact CD1-CB 4.3Å; L285-F290 HydrophobicContact CD1-CD1 3.69Å; L285-F290 HydrophobicContact CD1-CE1 4.21Å; L285-F290 HydrophobicContact CD1-CG 4.05Å; F290-H292 HydrophobicContact CD2-CB 4.39Å; F290-H292 HydrophobicContact CE2-CB 4.03Å
291I98.8Very high96.8Very high5 Ų543.3 Ų43.33%0.02623%0.227CC..EExtended strand (participates in β ladder)trans-119.6124.7175.4-61.8163.2000107.7F243 V270 P271 V272 V273 F296 L302 Y305 L306 L309 F319F243-I291 HydrophobicContact CD1-CD1 4.19Å; F243-I291 HydrophobicContact CE1-CD1 3.95Å; V270-I291 HydrophobicContact CG1-CD1 3.77Å; V270-I291 HydrophobicContact CG1-CG1 4.12Å; P271-I291 PolarHBondContact O-N 2.78Å; V272-I291 CarbonylContact C-O 3.54Å; V272-I291 VanDerWaalsContact CA-O 3.3Å; V272-I291 WeakPolarHBondContact CA-O 3.24Å; V272-I291 HydrophobicContact CG1-CG2 4.35Å; V272-I291 HydrophobicContact CG2-CB 4.28Å; V272-I291 HydrophobicContact CG2-CD1 4.33Å; V273-I291 PolarHBondContact N-O 2.71Å; I291-F296 HydrophobicContact CG2-CE2 3.58Å; I291-F296 HydrophobicContact CG2-CZ 3.9Å; I291-L302 HydrophobicContact CG2-CD1 3.99Å; I291-Y305 HydrophobicContact CD1-CE1 3.85Å; I291-Y305 HydrophobicContact CG1-CE1 4.18Å; I291-Y305 HydrophobicContact CG2-CE1 4.23Å; I291-L306 HydrophobicContact CD1-CD2 3.59Å; I291-L309 HydrophobicContact CD1-CD2 3.81Å; I291-F319 HydrophobicContact CD1-CE1 4.08Å; I291-F319 HydrophobicContact CD1-CZ 4.08Å; I291-F319 HydrophobicContact CG1-CD1 4.44Å; I291-F319 HydrophobicContact CG1-CE1 3.52Å; I291-F319 HydrophobicContact CG1-CZ 3.8Å
292H98.3Very high96.8Very high2 Ų243.3 Ų43.31%0.00923%0.227CC..EExtended strand (participates in β ladder)trans-99.7137.1-179.3-158.7-85.5000111.4V273 P276 K278 Y281 F290 E294 D295 F296V273-H292 HydrophobicContact CG2-CB 4.21Å; V273-H292 WeakPolarHBondContact CG2-CD2 3.39Å; P276-H292 PolarHBondContact O-NE2 2.79Å; P276-H292 VanDerWaalsContact O-NE2 3.12Å; K278-H292 HydrophobicContact CB-CB 4.21Å; K278-H292 HydrophobicContact CD-CB 4Å; K278-H292 HydrophobicContact CG-CB 3.97Å; Y281-H292 AromaticContact CD2-CD2 3.5Å; Y281-H292 VanDerWaalsContact CD2-CD2 3.5Å; Y281-H292 WeakPolarHBondContact CD2-CD2 3.25Å; Y281-H292 AromaticContact CD2-NE2 3.53Å; Y281-H292 AromaticContact CE2-CD2 3.7Å; Y281-H292 AromaticContact CE2-NE2 3.4Å; Y281-H292 WeakPolarHBondContact CE2-NE2 3.45Å; F290-H292 HydrophobicContact CD2-CB 4.39Å; F290-H292 HydrophobicContact CE2-CB 4.03Å; H292-E294 VanDerWaalsContact CE1-CD 3.48Å; H292-E294 VanDerWaalsContact CE1-CG 3.44Å; H292-E294 WeakPolarHBondContact CE1-CG 3.38Å; H292-E294 IonicContact CE1-OE2 3.77Å; H292-E294 PolarHBondContact CE1-OE2 3.42Å; H292-E294 VanDerWaalsContact CE1-OE2 3.28Å; H292-E294 VanDerWaalsContact ND1-CB 3.31Å; H292-E294 WeakPolarHBondContact ND1-CB 3.28Å; H292-E294 PolarHBondContact ND1-N 3.28Å; H292-E294 VanDerWaalsContact ND1-N 3.12Å; H292-E294 IonicContact ND1-OE2 3.6Å; H292-E294 PolarHBondContact O-N 2.98Å; H292-D295 WeakPolarHBondContact O-CB 3.38Å; H292-D295 PolarHBondContact O-N 2.98Å; H292-D295 VanDerWaalsContact O-N 3.12Å; H292-F296 WeakPolarHBondContact O-CD2 3.33Å; H292-F296 WeakPolarHBondContact O-CE2 3.28Å
293V97Very high96.9Very high6 Ų638.1 Ų38.14%0.03620%0.203CC..G310 helixtrans-62-29.4178.9-65.50000113.5Y206 F247 V272 V273 L274 D295 F296 L302 W368Y206-V293 HydrophobicContact CD1-CG1 4.49Å; Y206-V293 HydrophobicContact CE1-CB 4.36Å; Y206-V293 HydrophobicContact CE1-CG1 3.75Å; Y206-V293 HydrophobicContact CE2-CB 4.36Å; F247-V293 HydrophobicContact CE1-CG1 3.87Å; F247-V293 HydrophobicContact CZ-CG1 3.83Å; V272-V293 HydrophobicContact CG1-CG1 4.45Å; V273-V293 WeakPolarHBondContact O-CG1 3.17Å; V273-V293 PolarHBondContact O-N 3.19Å; V273-V293 VanDerWaalsContact O-N 3.09Å; L274-V293 HydrophobicContact CB-CG1 4.1Å; L274-V293 HydrophobicContact CB-CG2 3.81Å; L274-V293 HydrophobicContact CD1-CG1 4.44Å; L274-V293 HydrophobicContact CD1-CG2 4.24Å; L274-V293 HydrophobicContact CG-CG2 3.94Å; V293-D295 PolarHBondContact O-N 3.33Å; V293-F296 PolarHBondContact O-N 3.49Å; V293-F296 VanDerWaalsContact O-N 3.17Å; V293-L302 HydrophobicContact CG1-CD2 4.06Å; V293-W368 HydrophobicContact CG2-CZ3 4.23Å
294E93.6Very high97Very high90 Ų9038 Ų3842%0.42121%0.205SC..G310 helixtrans-66.4-13.2177.1-66.3176.5154.600113.6K278 H292 F296 K363K278-E294 PolarHBondContact N-OE2 3.42Å; K278-E294 VanDerWaalsContact N-OE2 3.1Å; H292-E294 VanDerWaalsContact CE1-CD 3.48Å; H292-E294 VanDerWaalsContact CE1-CG 3.44Å; H292-E294 WeakPolarHBondContact CE1-CG 3.38Å; H292-E294 IonicContact CE1-OE2 3.77Å; H292-E294 PolarHBondContact CE1-OE2 3.42Å; H292-E294 VanDerWaalsContact CE1-OE2 3.28Å; H292-E294 VanDerWaalsContact ND1-CB 3.31Å; H292-E294 WeakPolarHBondContact ND1-CB 3.28Å; H292-E294 PolarHBondContact ND1-N 3.28Å; H292-E294 VanDerWaalsContact ND1-N 3.12Å; H292-E294 IonicContact ND1-OE2 3.6Å; H292-E294 PolarHBondContact O-N 2.98Å; E294-F296 PolarHBondContact O-N 3.49Å; E294-K363 IonicContact OE1-NZ 3.67Å; E294-K363 PolarHBondContact OE1-NZ 3.46Å; E294-K363 VanDerWaalsContact OE1-NZ 3.07Å
295D96.3Very high97.1Very high81 Ų8140.7 Ų40.743%0.43321%0.212SC..G310 helixtrans-74.1-7.6173.8-68.9-34.5000112.8K278 H292 V293K278-D295 VanDerWaalsContact CD-OD1 3.27Å; K278-D295 WeakPolarHBondContact CD-OD1 3.3Å; K278-D295 IonicContact NZ-OD1 3.89Å; K278-D295 PolarHBondContact NZ-OD1 3.47Å; K278-D295 IonicContact NZ-OD2 3.77Å; K278-D295 PolarHBondContact NZ-OD2 2.87Å; H292-D295 WeakPolarHBondContact O-CB 3.38Å; H292-D295 PolarHBondContact O-N 2.98Å; H292-D295 VanDerWaalsContact O-N 3.12Å; V293-D295 PolarHBondContact O-N 3.33Å
296F96.5Very high97.2Very high38 Ų3840.2 Ų40.217%0.16721%0.21CC..SBendtrans-123.1141.3-174-53-84.7000111.1I291 H292 V293 E294 S298 N301 L302 Y305I291-F296 HydrophobicContact CG2-CE2 3.58Å; I291-F296 HydrophobicContact CG2-CZ 3.9Å; H292-F296 WeakPolarHBondContact O-CD2 3.33Å; H292-F296 WeakPolarHBondContact O-CE2 3.28Å; V293-F296 PolarHBondContact O-N 3.49Å; V293-F296 VanDerWaalsContact O-N 3.17Å; E294-F296 PolarHBondContact O-N 3.49Å; F296-S298 VanDerWaalsContact C-N 3.31Å; F296-S298 PolarHBondContact O-N 3.38Å; F296-N301 HydrophobicContact CB-CB 4.44Å; F296-L302 HydrophobicContact CB-CB 4.13Å; F296-L302 HydrophobicContact CD1-CB 4.3Å; F296-L302 HydrophobicContact CD2-CB 3.97Å; F296-L302 HydrophobicContact CD2-CD1 3.59Å; F296-L302 HydrophobicContact CD2-CG 4.33Å; F296-L302 HydrophobicContact CE1-CD1 4.46Å; F296-L302 HydrophobicContact CE2-CD1 3.38Å; F296-L302 HydrophobicContact CG-CB 3.84Å; F296-L302 HydrophobicContact CG-CD1 4.23Å; F296-L302 HydrophobicContact CZ-CD1 3.86Å; F296-Y305 AromaticContact CE1-CD1 3.79Å; F296-Y305 HydrophobicContact CE1-CD1 3.79Å; F296-Y305 HydrophobicContact CE1-CD2 4.03Å; F296-Y305 AromaticContact CE1-CG 3.46Å; F296-Y305 HydrophobicContact CE1-CG 3.46Å; F296-Y305 VanDerWaalsContact CE1-CG 3.46Å; F296-Y305 AromaticContact CZ-CD1 3.46Å; F296-Y305 HydrophobicContact CZ-CD1 3.46Å; F296-Y305 VanDerWaalsContact CZ-CD1 3.46Å; F296-Y305 HydrophobicContact CZ-CD2 4.33Å; F296-Y305 AromaticContact CZ-CE1 3.99Å; F296-Y305 HydrophobicContact CZ-CE1 3.99Å; F296-Y305 AromaticContact CZ-CG 3.66Å; F296-Y305 HydrophobicContact CZ-CG 3.66Å
297T94.1Very high97.3Very high52 Ų5244 Ų4432%0.31923%0.225SC..SBendtrans-77.5-15.1179.9560000114N301 P369 K371T297-N301 PolarHBondContact OG1-ND2 2.97Å; T297-P369 VanDerWaalsContact O-O 3.06Å; T297-K371 HydrophobicContact CG2-CB 3.9Å; T297-K371 HydrophobicContact CG2-CD 4.07Å; T297-K371 HydrophobicContact CG2-CG 4.36Å
298S95Very high97.4Very high15 Ų1541.5 Ų41.511%0.10522%0.215CC..SBendtrans-159.1157.9177.966.80000111.2F296 K300 N301 L302F296-S298 VanDerWaalsContact C-N 3.31Å; F296-S298 PolarHBondContact O-N 3.38Å; S298-K300 PolarHBondContact O-N 2.77Å; S298-N301 PolarHBondContact O-N 2.85Å; S298-N301 PolarHBondContact OG-N 3.18Å; S298-N301 PolarHBondContact OG-ND2 3.47Å; S298-L302 PolarHBondContact O-N 2.04Å; S298-L302 VanDerWaalsContact O-N 3.15Å
299P96.3Very high97.5Very high18 Ų1838 Ų3812%0.11720%0.196CC..Hα-helixtrans-54.8-35.5171-26.535.4000112.7Y206 E209 L210 N301 L302 A303Y206-P299 HydrophobicContact CD2-CG 4.06Å; Y206-P299 HydrophobicContact CE1-CB 4.3Å; Y206-P299 HydrophobicContact CE1-CG 4.31Å; Y206-P299 HydrophobicContact CE2-CG 3.75Å; E209-P299 HydrophobicContact CB-CB 4.39Å; E209-P299 HydrophobicContact CB-CG 4.17Å; E209-P299 HydrophobicContact CG-CB 3.94Å; E209-P299 HydrophobicContact CG-CG 3.72Å; L210-P299 HydrophobicContact CB-CB 4.33Å; L210-P299 HydrophobicContact CD1-CB 3.95Å; L210-P299 WeakPolarHBondContact CD1-O 3.18Å; P299-N301 VanDerWaalsContact C-N 3.34Å; P299-N301 PolarHBondContact O-N 3.49Å; P299-L302 WeakPolarHBondContact O-CB 3.44Å; P299-L302 PolarHBondContact O-N 2.95Å; P299-A303 PolarHBondContact O-N 3.02Å
300K97.6Very high97.5Very high93 Ų9338.7 Ų38.740%0.40420%0.201SC..Hα-helixtrans-57.9-44174.2-175.9177.6-179.2-177.10112.5Y213 S298 A303 N304Y213-K300 HydrophobicContact CD1-CB 3.97Å; Y213-K300 HydrophobicContact CD1-CD 4.06Å; Y213-K300 HydrophobicContact CD1-CG 3.65Å; Y213-K300 HydrophobicContact CD2-CB 3.82Å; Y213-K300 HydrophobicContact CD2-CG 4.39Å; Y213-K300 HydrophobicContact CE1-CB 3.89Å; Y213-K300 HydrophobicContact CE1-CD 3.7Å; Y213-K300 HydrophobicContact CE1-CG 3.74Å; Y213-K300 HydrophobicContact CE2-CB 3.75Å; Y213-K300 HydrophobicContact CE2-CG 4.47Å; Y213-K300 HydrophobicContact CG-CB 3.92Å; Y213-K300 HydrophobicContact CG-CG 3.99Å; S298-K300 PolarHBondContact O-N 2.77Å; K300-A303 PolarHBondContact O-N 3.28Å; K300-N304 VanDerWaalsContact O-CG 3.27Å; K300-N304 PolarHBondContact O-N 2.91Å; K300-N304 PolarHBondContact O-ND2 3.13Å
301N98.1Very high97.5Very high52 Ų5246.2 Ų46.228%0.27823%0.234SC..Hα-helixtrans-70.2-36.5179.5-73.5-21.4000112.3F296 T297 S298 P299 N304 Y305F296-N301 HydrophobicContact CB-CB 4.44Å; T297-N301 PolarHBondContact OG1-ND2 2.97Å; S298-N301 PolarHBondContact O-N 2.85Å; S298-N301 PolarHBondContact OG-N 3.18Å; S298-N301 PolarHBondContact OG-ND2 3.47Å; P299-N301 VanDerWaalsContact C-N 3.34Å; P299-N301 PolarHBondContact O-N 3.49Å; N301-N304 PolarHBondContact O-N 3.28Å; N301-Y305 WeakPolarHBondContact O-CB 3.44Å; N301-Y305 PolarHBondContact O-N 3.46Å
302L98.3Very high97.4Very high0 Ų049.9 Ų49.90%025%0.254CS..Hα-helixtrans-59.7-49.5168.2173.966.7000111.1Y206 L210 V272 I291 V293 F296 S298 P299 N304 Y305 L306Y206-L302 HydrophobicContact CE1-CD2 3.74Å; L210-L302 HydrophobicContact CD1-CB 4.41Å; L210-L302 HydrophobicContact CD1-CD2 4.13Å; L210-L302 HydrophobicContact CD1-CG 4.36Å; L210-L302 HydrophobicContact CD2-CD2 4.12Å; V272-L302 HydrophobicContact CG1-CD1 4.06Å; V272-L302 HydrophobicContact CG1-CD2 4.07Å; I291-L302 HydrophobicContact CG2-CD1 3.99Å; V293-L302 HydrophobicContact CG1-CD2 4.06Å; F296-L302 HydrophobicContact CB-CB 4.13Å; F296-L302 HydrophobicContact CD1-CB 4.3Å; F296-L302 HydrophobicContact CD2-CB 3.97Å; F296-L302 HydrophobicContact CD2-CD1 3.59Å; F296-L302 HydrophobicContact CD2-CG 4.33Å; F296-L302 HydrophobicContact CE1-CD1 4.46Å; F296-L302 HydrophobicContact CE2-CD1 3.38Å; F296-L302 HydrophobicContact CG-CB 3.84Å; F296-L302 HydrophobicContact CG-CD1 4.23Å; F296-L302 HydrophobicContact CZ-CD1 3.86Å; S298-L302 PolarHBondContact O-N 2.04Å; S298-L302 VanDerWaalsContact O-N 3.15Å; P299-L302 WeakPolarHBondContact O-CB 3.44Å; P299-L302 PolarHBondContact O-N 2.95Å; L302-N304 VanDerWaalsContact C-N 3.32Å; L302-N304 PolarHBondContact O-N 3.05Å; L302-Y305 WeakPolarHBondContact O-CB 3.19Å; L302-Y305 PolarHBondContact O-N 2.74Å; L302-Y305 VanDerWaalsContact O-N 3.16Å; L302-L306 HydrophobicContact CD1-CD1 3.97Å; L302-L306 HydrophobicContact CD1-CD2 4.23Å; L302-L306 HydrophobicContact CD1-CG 3.92Å; L302-L306 HydrophobicContact CG-CD1 3.95Å; L302-L306 HydrophobicContact CG-CG 4.25Å; L302-L306 WeakPolarHBondContact O-CG 3.01Å; L302-L306 PolarHBondContact O-N 2.96Å
303A98.7Very high97.4Very high0 Ų053.8 Ų53.80%028%0.275CS..Hα-helixtrans-58.8-42.9179.400000112.5L210 M214 P299 K300 L306 K307L210-A303 HydrophobicContact CD1-CB 3.78Å; M214-A303 HydrophobicContact CB-CB 4.12Å; M214-A303 HydrophobicContact CG-CB 3.89Å; M214-A303 HydrophobicContact SD-CB 3.83Å; P299-A303 PolarHBondContact O-N 3.02Å; K300-A303 PolarHBondContact O-N 3.28Å; A303-L306 PolarHBondContact O-N 2.86Å; A303-K307 WeakPolarHBondContact O-CB 3.32Å; A303-K307 WeakPolarHBondContact O-CG 3.46Å; A303-K307 PolarHBondContact O-N 3.12Å
304N98.6Very high97.4Very high80 Ų8059 Ų5943%0.42831%0.307SS..Hα-helixtrans-60.8-45.5175.7-72.8-22.9000111.4K300 N301 L302 K307 A308K300-N304 VanDerWaalsContact O-CG 3.27Å; K300-N304 PolarHBondContact O-N 2.91Å; K300-N304 PolarHBondContact O-ND2 3.13Å; N301-N304 PolarHBondContact O-N 3.28Å; L302-N304 VanDerWaalsContact C-N 3.32Å; L302-N304 PolarHBondContact O-N 3.05Å; N304-K307 PolarHBondContact O-N 2.64Å; N304-A308 WeakPolarHBondContact O-CB 3.2Å; N304-A308 PolarHBondContact O-N 2.79Å
305Y98.7Very high97.7Very high90 Ų9056.2 Ų56.235%0.35330%0.299SS..Hα-helixtrans-60.8-49176.2175.5-96.3000112.1I291 F296 N301 L302 K307 A308 L309I291-Y305 HydrophobicContact CD1-CE1 3.85Å; I291-Y305 HydrophobicContact CG1-CE1 4.18Å; I291-Y305 HydrophobicContact CG2-CE1 4.23Å; F296-Y305 AromaticContact CE1-CD1 3.79Å; F296-Y305 HydrophobicContact CE1-CD1 3.79Å; F296-Y305 HydrophobicContact CE1-CD2 4.03Å; F296-Y305 AromaticContact CE1-CG 3.46Å; F296-Y305 HydrophobicContact CE1-CG 3.46Å; F296-Y305 VanDerWaalsContact CE1-CG 3.46Å; F296-Y305 AromaticContact CZ-CD1 3.46Å; F296-Y305 HydrophobicContact CZ-CD1 3.46Å; F296-Y305 VanDerWaalsContact CZ-CD1 3.46Å; F296-Y305 HydrophobicContact CZ-CD2 4.33Å; F296-Y305 AromaticContact CZ-CE1 3.99Å; F296-Y305 HydrophobicContact CZ-CE1 3.99Å; F296-Y305 AromaticContact CZ-CG 3.66Å; F296-Y305 HydrophobicContact CZ-CG 3.66Å; N301-Y305 WeakPolarHBondContact O-CB 3.44Å; N301-Y305 PolarHBondContact O-N 3.46Å; L302-Y305 WeakPolarHBondContact O-CB 3.19Å; L302-Y305 PolarHBondContact O-N 2.74Å; L302-Y305 VanDerWaalsContact O-N 3.16Å; Y305-K307 VanDerWaalsContact C-N 3.34Å; Y305-K307 PolarHBondContact O-N 2.7Å; Y305-A308 PolarHBondContact O-N 3.19Å; Y305-L309 HydrophobicContact CE1-CD2 3.84Å; Y305-L309 VanDerWaalsContact O-CB 3.3Å; Y305-L309 WeakPolarHBondContact O-CB 3Å; Y305-L309 PolarHBondContact O-N 2.55Å
306L98.8Very high97.8Very high0 Ų052.4 Ų52.40%028%0.279CS..Hα-helixtrans-61.6-40.9180-64.8179000111.9M214 F243 F245 V272 I291 L302 A303 A310M214-L306 HydrophobicContact CE-CB 4.46Å; M214-L306 HydrophobicContact CE-CD1 4.04Å; M214-L306 HydrophobicContact SD-CB 4.46Å; M214-L306 HydrophobicContact SD-CD1 3.83Å; F243-L306 HydrophobicContact CD1-CD2 3.79Å; F243-L306 HydrophobicContact CD2-CB 4.16Å; F243-L306 HydrophobicContact CD2-CD2 4.2Å; F243-L306 HydrophobicContact CE1-CD2 3.78Å; F243-L306 HydrophobicContact CE2-CB 3.88Å; F243-L306 HydrophobicContact CE2-CD2 4.16Å; F243-L306 VanDerWaalsContact CE2-O 3.29Å; F243-L306 WeakPolarHBondContact CE2-O 3.34Å; F243-L306 HydrophobicContact CG-CD2 4.02Å; F243-L306 HydrophobicContact CZ-CB 4.31Å; F243-L306 HydrophobicContact CZ-CD2 3.96Å; F245-L306 HydrophobicContact CE1-CD1 3.99Å; F245-L306 HydrophobicContact CZ-CD1 4.05Å; V272-L306 HydrophobicContact CG2-CD1 4.12Å; V272-L306 HydrophobicContact CG2-CD2 3.85Å; I291-L306 HydrophobicContact CD1-CD2 3.59Å; L302-L306 HydrophobicContact CD1-CD1 3.97Å; L302-L306 HydrophobicContact CD1-CD2 4.23Å; L302-L306 HydrophobicContact CD1-CG 3.92Å; L302-L306 HydrophobicContact CG-CD1 3.95Å; L302-L306 HydrophobicContact CG-CG 4.25Å; L302-L306 WeakPolarHBondContact O-CG 3.01Å; L302-L306 PolarHBondContact O-N 2.96Å; A303-L306 PolarHBondContact O-N 2.86Å; L306-A310 VanDerWaalsContact O-CB 3.3Å; L306-A310 WeakPolarHBondContact O-CB 3.04Å; L306-A310 PolarHBondContact O-N 3.43Å
307K98.8Very high97.8Very high84 Ų8455.7 Ų55.737%0.36529%0.29SS..Hα-helixtrans-64.9-41.1174.9-74.3179.4-176.9-179.10112.6L189 Y213 A303 N304 Y305 K311L189-K307 HydrophobicContact CD2-CG 4.43Å; Y213-K307 WeakPolarHBondContact O-CE 3.45Å; Y213-K307 PolarHBondContact O-NZ 3.22Å; A303-K307 WeakPolarHBondContact O-CB 3.32Å; A303-K307 WeakPolarHBondContact O-CG 3.46Å; A303-K307 PolarHBondContact O-N 3.12Å; N304-K307 PolarHBondContact O-N 2.64Å; Y305-K307 VanDerWaalsContact C-N 3.34Å; Y305-K307 PolarHBondContact O-N 2.7Å; K307-K311 WeakPolarHBondContact O-CG 3.26Å
308A98.7Very high97.9Very high60 Ų6054.7 Ų54.750%0.49629%0.285SS..Hα-helixtrans-66.8-45.3177.300000111N304 Y305 A310 K311 N312N304-A308 WeakPolarHBondContact O-CB 3.2Å; N304-A308 PolarHBondContact O-N 2.79Å; Y305-A308 PolarHBondContact O-N 3.19Å; A308-A310 PolarHBondContact O-N 3.47Å; A308-K311 PolarHBondContact O-N 2.93Å; A308-N312 PolarHBondContact O-N 3.25Å
309L98.6Very high98.1Very high10 Ų1054.4 Ų54.45%0.05228%0.282CS..Hα-helixtrans-61.4-41.9176.9-178.560000111.7F243 I291 Y305 K311 N312 A315 Y316 F319F243-L309 HydrophobicContact CE1-CD2 3.72Å; F243-L309 HydrophobicContact CE1-CG 4.35Å; F243-L309 HydrophobicContact CZ-CB 4.18Å; F243-L309 HydrophobicContact CZ-CD2 3.86Å; F243-L309 HydrophobicContact CZ-CG 4.04Å; I291-L309 HydrophobicContact CD1-CD2 3.81Å; Y305-L309 HydrophobicContact CE1-CD2 3.84Å; Y305-L309 VanDerWaalsContact O-CB 3.3Å; Y305-L309 WeakPolarHBondContact O-CB 3Å; Y305-L309 PolarHBondContact O-N 2.55Å; L309-K311 PolarHBondContact O-N 3.4Å; L309-K311 VanDerWaalsContact O-N 3.16Å; L309-N312 PolarHBondContact O-N 3.08Å; L309-N312 VanDerWaalsContact O-N 3.08Å; L309-A315 HydrophobicContact CD1-CB 3.69Å; L309-Y316 HydrophobicContact CG-CD2 4.43Å; L309-F319 HydrophobicContact CD1-CD2 4.35Å; L309-F319 HydrophobicContact CD1-CE2 3.84Å; L309-F319 HydrophobicContact CD2-CD2 4.09Å; L309-F319 HydrophobicContact CD2-CE2 3.46Å; L309-F319 VanDerWaalsContact CD2-CE2 3.46Å; L309-F319 HydrophobicContact CD2-CZ 3.91Å; L309-F319 HydrophobicContact CG-CE2 4.28Å
310A98.2Very high98.1Very high16 Ų1654.2 Ų54.213%0.13228%0.279CS..Hα-helixtrans-59.3-27.617800000114.2L189 K242 F243 L306 A308L189-A310 HydrophobicContact CD1-CB 3.64Å; K242-A310 HydrophobicContact CD-CB 3.74Å; K242-A310 WeakPolarHBondContact CE-O 3.3Å; K242-A310 PolarHBondContact NZ-O 2.96Å; F243-A310 HydrophobicContact CE2-CB 4.07Å; L306-A310 VanDerWaalsContact O-CB 3.3Å; L306-A310 WeakPolarHBondContact O-CB 3.04Å; L306-A310 PolarHBondContact O-N 3.43Å; A308-A310 PolarHBondContact O-N 3.47Å
311K98Very high98Very high178 Ų17854.3 Ų54.377%0.77428%0.284SS*.Hα-helixtrans-89.4-14.4179.3-66.2174.2-177.8-1770113.4K307 A308 L309K307-K311 WeakPolarHBondContact O-CG 3.26Å; A308-K311 PolarHBondContact O-N 2.93Å; L309-K311 PolarHBondContact O-N 3.4Å; L309-K311 VanDerWaalsContact O-N 3.16Å
312N98.2Very high97.9Very high82 Ų8252.9 Ų52.944%0.43928%0.275SS..  trans-105.393.7179.2-176-23.8000109.4A308 L309 T314 A315 Y316A308-N312 PolarHBondContact O-N 3.25Å; L309-N312 PolarHBondContact O-N 3.08Å; L309-N312 VanDerWaalsContact O-N 3.08Å; N312-T314 VanDerWaalsContact C-N 3.32Å; N312-T314 PolarHBondContact O-N 3.14Å; N312-T314 PolarHBondContact OD1-N 3.42Å; N312-A315 HydrophobicContact CB-CB 4.01Å; N312-A315 VanDerWaalsContact CG-CB 3.49Å; N312-A315 PolarHBondContact O-N 2.87Å; N312-A315 PolarHBondContact OD1-N 3.32Å; N312-Y316 WeakPolarHBondContact O-CB 3.5Å; N312-Y316 PolarHBondContact O-N 2.99Å
313D97Very high97.7Very high84 Ų8453.7 Ų53.745%0.44928%0.278SS..Hα-helixtrans-58.4-41.4-176.2-80.2-9.5000112.8K242 Y316 R317K242-D313 IonicContact NZ-OD1 3.92Å; D313-Y316 PolarHBondContact O-N 2.84Å; D313-R317 VanDerWaalsContact O-CB 3.26Å; D313-R317 WeakPolarHBondContact O-CB 3.16Å; D313-R317 WeakPolarHBondContact O-CD 3.17Å; D313-R317 WeakPolarHBondContact O-CG 3.31Å; D313-R317 PolarHBondContact O-N 3.04Å
314T97.9Very high97.5Very high116 Ų11657 Ų5771%0.71230%0.296SS*.Hα-helixtrans-62-49.2178.7-57.20000111.2N312 S318N312-T314 VanDerWaalsContact C-N 3.32Å; N312-T314 PolarHBondContact O-N 3.14Å; N312-T314 PolarHBondContact OD1-N 3.42Å; T314-S318 PolarHBondContact O-N 3.27Å
315A98.2Very high97.2Very high31 Ų3155.7 Ų55.726%0.25629%0.294SS..Hα-helixtrans-64.4-44.3178.900000111.5L309 N312 S318L309-A315 HydrophobicContact CD1-CB 3.69Å; N312-A315 HydrophobicContact CB-CB 4.01Å; N312-A315 VanDerWaalsContact CG-CB 3.49Å; N312-A315 PolarHBondContact O-N 2.87Å; N312-A315 PolarHBondContact OD1-N 3.32Å; A315-S318 WeakPolarHBondContact O-CB 3.26Å; A315-S318 PolarHBondContact O-N 3.46Å; A315-S318 PolarHBondContact O-OG 3.49Å
316Y98.5Very high97Very high2 Ų253.8 Ų53.81%0.00829%0.286CS..Hα-helixtrans-63.1-44.3178.9175.9-98.6000112.4F183 K242 F243 V270 L309 N312 D313 S318 F319 F320F183-Y316 HydrophobicContact CD1-CD1 4.26Å; F183-Y316 AromaticContact CD1-CE1 3.88Å; F183-Y316 HydrophobicContact CD1-CE1 3.88Å; F183-Y316 HydrophobicContact CE1-CD1 4.27Å; F183-Y316 AromaticContact CE1-CE1 3.93Å; F183-Y316 HydrophobicContact CE1-CE1 3.93Å; K242-Y316 WeakPolarHBondContact CA-OH 3.38Å; K242-Y316 HydrophobicContact CB-CD2 4.45Å; K242-Y316 HydrophobicContact CB-CE2 3.62Å; K242-Y316 HydrophobicContact CD-CE2 4.38Å; K242-Y316 HydrophobicContact CG-CE1 4.35Å; K242-Y316 HydrophobicContact CG-CE2 3.96Å; K242-Y316 PolarHBondContact O-OH 3.16Å; F243-Y316 HydrophobicContact CE1-CD2 4.2Å; F243-Y316 HydrophobicContact CE1-CE2 4.09Å; F243-Y316 HydrophobicContact CZ-CD2 4.21Å; F243-Y316 HydrophobicContact CZ-CE2 4.33Å; V270-Y316 HydrophobicContact CB-CE2 4.45Å; V270-Y316 HydrophobicContact CG2-CD2 4.27Å; V270-Y316 HydrophobicContact CG2-CE2 3.59Å; L309-Y316 HydrophobicContact CG-CD2 4.43Å; N312-Y316 WeakPolarHBondContact O-CB 3.5Å; N312-Y316 PolarHBondContact O-N 2.99Å; D313-Y316 PolarHBondContact O-N 2.84Å; Y316-S318 PolarHBondContact O-N 2.62Å; Y316-F319 WeakPolarHBondContact O-CB 3.17Å; Y316-F319 PolarHBondContact O-N 3.11Å; Y316-F320 HydrophobicContact CD1-CE2 4.47Å; Y316-F320 AromaticContact CE1-CE2 3.76Å; Y316-F320 HydrophobicContact CE1-CE2 3.76Å; Y316-F320 HydrophobicContact CE2-CE2 4.35Å; Y316-F320 AromaticContact CZ-CE2 3.67Å
317R97.3Very high96.8Very high107 Ų10755.4 Ų55.440%0.40430%0.3SS..Hα-helixtrans-62.7-30.9179.8-70.7172.6-173.1-1512.1112.2F183 D313 F319 F320F183-R317 HydrophobicContact CD1-CG 3.94Å; F183-R317 HydrophobicContact CD2-CG 4.05Å; F183-R317 HydrophobicContact CE1-CB 4.29Å; F183-R317 HydrophobicContact CE1-CG 3.69Å; F183-R317 HydrophobicContact CE2-CB 4.39Å; F183-R317 HydrophobicContact CE2-CG 3.8Å; F183-R317 HydrophobicContact CG-CG 4.11Å; F183-R317 HydrophobicContact CZ-CB 3.97Å; F183-R317 HydrophobicContact CZ-CG 3.61Å; D313-R317 VanDerWaalsContact O-CB 3.26Å; D313-R317 WeakPolarHBondContact O-CB 3.16Å; D313-R317 WeakPolarHBondContact O-CD 3.17Å; D313-R317 WeakPolarHBondContact O-CG 3.31Å; D313-R317 PolarHBondContact O-N 3.04Å; R317-F319 PolarHBondContact O-N 2.87Å; R317-F319 VanDerWaalsContact O-N 3.16Å; R317-F320 PolarHBondContact O-N 2.85Å
318S97.2Very high96.7Very high31 Ų3154.3 Ų54.322%0.21730%0.297CS..Hα-helixtrans-60.5-23.6178.279.20000113.8N288 T314 A315 Y316 F320 D321N288-S318 PolarHBondContact ND2-O 2.75Å; N288-S318 PolarHBondContact ND2-OG 3.19Å; N288-S318 VanDerWaalsContact ND2-OG 3.13Å; T314-S318 PolarHBondContact O-N 3.27Å; A315-S318 WeakPolarHBondContact O-CB 3.26Å; A315-S318 PolarHBondContact O-N 3.46Å; A315-S318 PolarHBondContact O-OG 3.49Å; Y316-S318 PolarHBondContact O-N 2.62Å; S318-F320 PolarHBondContact O-N 3.42Å; S318-F320 VanDerWaalsContact O-N 3.08Å; S318-D321 WeakPolarHBondContact CA-OD2 3.49Å; S318-D321 WeakPolarHBondContact O-CB 3.4Å; S318-D321 PolarHBondContact O-N 3.07Å; S318-D321 VanDerWaalsContact O-N 3.17Å
319F98.2Very high96.5Very high8 Ų854.1 Ų54.14%0.03529%0.288CS..THydrogen-bonded Turntrans-66.4-8.9175.4-80-93.4000113.9V270 N288 I291 L309 Y316 R317 W322V270-F319 HydrophobicContact CG1-CB 4.27Å; V270-F319 HydrophobicContact CG1-CD1 3.61Å; V270-F319 HydrophobicContact CG1-CE1 4.13Å; V270-F319 HydrophobicContact CG1-CG 3.99Å; V270-F319 HydrophobicContact CG2-CB 3.61Å; V270-F319 HydrophobicContact CG2-CD1 4.49Å; V270-F319 HydrophobicContact CG2-CG 4.06Å; N288-F319 VanDerWaalsContact O-CA 3.3Å; N288-F319 WeakPolarHBondContact O-CA 3.42Å; I291-F319 HydrophobicContact CD1-CE1 4.08Å; I291-F319 HydrophobicContact CD1-CZ 4.08Å; I291-F319 HydrophobicContact CG1-CD1 4.44Å; I291-F319 HydrophobicContact CG1-CE1 3.52Å; I291-F319 HydrophobicContact CG1-CZ 3.8Å; L309-F319 HydrophobicContact CD1-CD2 4.35Å; L309-F319 HydrophobicContact CD1-CE2 3.84Å; L309-F319 HydrophobicContact CD2-CD2 4.09Å; L309-F319 HydrophobicContact CD2-CE2 3.46Å; L309-F319 VanDerWaalsContact CD2-CE2 3.46Å; L309-F319 HydrophobicContact CD2-CZ 3.91Å; L309-F319 HydrophobicContact CG-CE2 4.28Å; Y316-F319 WeakPolarHBondContact O-CB 3.17Å; Y316-F319 PolarHBondContact O-N 3.11Å; R317-F319 PolarHBondContact O-N 2.87Å; R317-F319 VanDerWaalsContact O-N 3.16Å; F319-W322 PolarHBondContact O-NE1 3.32Å; F319-W322 VanDerWaalsContact O-NE1 3.16Å
320F97.2Very high96.3Very high14 Ų1458.2 Ų58.26%0.06131%0.31CS..THydrogen-bonded Turntrans-109.60.6178.8-60.9-79.9000113.2V181 F183 D268 V270 Y316 R317 S318 W322 K323V181-F320 HydrophobicContact CG2-CB 4.13Å; V181-F320 HydrophobicContact CG2-CD1 3.96Å; V181-F320 HydrophobicContact CG2-CG 4.09Å; F183-F320 AromaticContact CE1-CD2 3.64Å; F183-F320 HydrophobicContact CE1-CD2 3.64Å; F183-F320 AromaticContact CE1-CE2 3.89Å; F183-F320 HydrophobicContact CE1-CE2 3.89Å; F183-F320 HydrophobicContact CE1-CG 4.44Å; F183-F320 HydrophobicContact CZ-CB 4.48Å; F183-F320 AromaticContact CZ-CD2 3.92Å; F183-F320 HydrophobicContact CZ-CD2 3.92Å; F183-F320 HydrophobicContact CZ-CG 4.38Å; D268-F320 VanDerWaalsContact C-CE1 3.4Å; D268-F320 HydrophobicContact CB-CE1 4.22Å; D268-F320 VanDerWaalsContact O-CE1 3.27Å; D268-F320 WeakPolarHBondContact O-CE1 3.25Å; D268-F320 WeakPolarHBondContact O-CZ 3.39Å; V270-F320 HydrophobicContact CG2-CE1 4.46Å; V270-F320 HydrophobicContact CG2-CE2 3.64Å; V270-F320 HydrophobicContact CG2-CZ 3.55Å; Y316-F320 HydrophobicContact CD1-CE2 4.47Å; Y316-F320 AromaticContact CE1-CE2 3.76Å; Y316-F320 HydrophobicContact CE1-CE2 3.76Å; Y316-F320 HydrophobicContact CE2-CE2 4.35Å; Y316-F320 AromaticContact CZ-CE2 3.67Å; R317-F320 PolarHBondContact O-N 2.85Å; S318-F320 PolarHBondContact O-N 3.42Å; S318-F320 VanDerWaalsContact O-N 3.08Å; F320-W322 PolarHBondContact O-N 2.83Å; F320-K323 HydrophobicContact CB-CD 4.37Å; F320-K323 HydrophobicContact CD1-CD 4.24Å; F320-K323 VanDerWaalsContact O-CB 3.29Å; F320-K323 WeakPolarHBondContact O-CB 3.45Å; F320-K323 WeakPolarHBondContact O-CG 3.19Å; F320-K323 PolarHBondContact O-N 2.81Å
321D95.4Very high96.3Very high95 Ų9558.3 Ų58.351%0.50831%0.308SS..G310 helixtrans-60.9-29.4-178.6-74.1-22.9000112.5S318 K323 N324S318-D321 WeakPolarHBondContact CA-OD2 3.49Å; S318-D321 WeakPolarHBondContact O-CB 3.4Å; S318-D321 PolarHBondContact O-N 3.07Å; S318-D321 VanDerWaalsContact O-N 3.17Å; D321-K323 PolarHBondContact O-N 3.46Å; D321-K323 VanDerWaalsContact O-N 3.11Å; D321-N324 VanDerWaalsContact O-CB 3.3Å; D321-N324 WeakPolarHBondContact O-CB 3.4Å; D321-N324 PolarHBondContact O-N 2.84Å; D321-N324 PolarHBondContact O-ND2 2.85Å
322W95.6Very high96.2Very high23 Ų2354.4 Ų54.49%0.08729%0.291CS..G310 helixtrans-55.4-29.3174.569.3-96.5000112.7V170 L265 P286 F319 F320 N324 S325 Y326V170-W322 HydrophobicContact CG1-CE3 4.37Å; V170-W322 HydrophobicContact CG1-CZ3 4.22Å; L265-W322 HydrophobicContact CB-CH2 4.38Å; L265-W322 HydrophobicContact CB-CZ2 4.27Å; L265-W322 HydrophobicContact CD2-CZ2 3.81Å; L265-W322 HydrophobicContact CG-CZ2 4.43Å; P286-W322 HydrophobicContact CB-CB 3.47Å; P286-W322 VanDerWaalsContact CB-CB 3.47Å; P286-W322 HydrophobicContact CB-CG 4.22Å; P286-W322 HydrophobicContact CG-CB 3.81Å; P286-W322 HydrophobicContact CG-CD2 4.36Å; P286-W322 HydrophobicContact CG-CE3 4.25Å; P286-W322 HydrophobicContact CG-CG 4.23Å; F319-W322 PolarHBondContact O-NE1 3.32Å; F319-W322 VanDerWaalsContact O-NE1 3.16Å; F320-W322 PolarHBondContact O-N 2.83Å; W322-N324 PolarHBondContact O-N 3.33Å; W322-N324 VanDerWaalsContact O-N 3.1Å; W322-S325 PolarHBondContact O-N 3.31Å; W322-Y326 HydrophobicContact CB-CD2 4.31Å; W322-Y326 WeakPolarHBondContact O-CD2 3.48Å; W322-Y326 PolarHBondContact O-N 3.37Å
323K94.6Very high96.2Very high16 Ų1651.5 Ų51.57%0.0728%0.275CS..G310 helixtrans-67.1-13.4-179.7-63-176.6145.7-146.10113.6K173 V181 D268 F320 D321 S325K173-K323 PolarHBondContact NZ-O 3.32Å; V181-K323 HydrophobicContact CG2-CD 3.77Å; D268-K323 IonicContact OD1-NZ 3.63Å; D268-K323 PolarHBondContact OD1-NZ 3.3Å; D268-K323 IonicContact OD2-NZ 3.32Å; F320-K323 HydrophobicContact CB-CD 4.37Å; F320-K323 HydrophobicContact CD1-CD 4.24Å; F320-K323 VanDerWaalsContact O-CB 3.29Å; F320-K323 WeakPolarHBondContact O-CB 3.45Å; F320-K323 WeakPolarHBondContact O-CG 3.19Å; F320-K323 PolarHBondContact O-N 2.81Å; D321-K323 PolarHBondContact O-N 3.46Å; D321-K323 VanDerWaalsContact O-N 3.11Å; K323-S325 VanDerWaalsContact C-N 3.25Å
324N92.8Very high96.2Very high69 Ų6949.8 Ų49.837%0.36926%0.262SS..G310 helixtrans-70.5-23.7171.9-63.3-45.1000112.2D321 W322D321-N324 VanDerWaalsContact O-CB 3.3Å; D321-N324 WeakPolarHBondContact O-CB 3.4Å; D321-N324 PolarHBondContact O-N 2.84Å; D321-N324 PolarHBondContact O-ND2 2.85Å; W322-N324 PolarHBondContact O-N 3.33Å; W322-N324 VanDerWaalsContact O-N 3.1Å
325S93.2Very high96.2Very high54 Ų5445.2 Ų45.238%0.37824%0.235SC..THydrogen-bonded Turntrans-128.1-16-173-58.30000114.5R172 K173 W322 K323R172-S325 CarbonylContact C-O 3.59Å; R172-S325 VanDerWaalsContact CA-O 3.3Å; R172-S325 WeakPolarHBondContact CA-O 3.2Å; K173-S325 PolarHBondContact N-O 2.85Å; W322-S325 PolarHBondContact O-N 3.31Å; K323-S325 VanDerWaalsContact C-N 3.25Å
326Y95.4Very high96.2Very high49 Ų4943.8 Ų43.819%0.19222%0.223CC..EExtended strand (participates in β ladder)trans-129156.7-177.7-51.6-102.6000112.7V170 A171 R172 K173 P286 W322V170-Y326 VanDerWaalsContact CG1-CB 3.49Å; V170-Y326 HydrophobicContact CG1-CD1 4.19Å; V170-Y326 HydrophobicContact CG1-CG 4.12Å; A171-Y326 CarbonylContact O-C 3.53Å; A171-Y326 WeakPolarHBondContact O-CA 3.43Å; A171-Y326 WeakPolarHBondContact O-CB 3.33Å; R172-Y326 HydrophobicContact CB-CD1 4.49Å; R172-Y326 HydrophobicContact CG-CD1 3.77Å; R172-Y326 HydrophobicContact CG-CE1 3.47Å; R172-Y326 VanDerWaalsContact CG-CE1 3.47Å; R172-Y326 PolarHBondContact NH2-OH 3.44Å; K173-Y326 WeakPolarHBondContact CE-O 3.29Å; P286-Y326 HydrophobicContact CB-CD2 3.97Å; P286-Y326 HydrophobicContact CB-CE2 3.94Å; P286-Y326 HydrophobicContact CB-CG 4.47Å; P286-Y326 HydrophobicContact CG-CD1 4.06Å; P286-Y326 HydrophobicContact CG-CD2 3.69Å; P286-Y326 HydrophobicContact CG-CE1 4.41Å; P286-Y326 HydrophobicContact CG-CE2 4.07Å; P286-Y326 HydrophobicContact CG-CG 3.71Å; W322-Y326 HydrophobicContact CB-CD2 4.31Å; W322-Y326 WeakPolarHBondContact O-CD2 3.48Å; W322-Y326 PolarHBondContact O-N 3.37Å
327A94.7Very high96.2Very high35 Ų3543.7 Ų43.729%0.28922%0.222SC..EExtended strand (participates in β ladder)trans-139.3163.7174.400000110.2V170 A171 K173V170-A327 WeakPolarHBondContact CA-O 3.37Å; A171-A327 PolarHBondContact N-O 3.18Å; A171-A327 PolarHBondContact O-N 3.02Å; K173-A327 HydrophobicContact CD-CB 4.3Å; K173-A327 HydrophobicContact CG-CB 3.69Å
328L94.8Very high96.3Very high61 Ų6138.6 Ų38.632%0.31920%0.203SC..EExtended strand (participates in β ladder)trans-66.9132.9164.3-66171.9000109.3K169 V170 F261 L265 R266K169-L328 CarbonylContact O-C 3.58Å; K169-L328 WeakPolarHBondContact O-CA 3.3Å; V170-L328 HydrophobicContact CG2-CD2 3.96Å; F261-L328 HydrophobicContact CB-CD2 4.24Å; F261-L328 HydrophobicContact CD1-CD2 3.93Å; L265-L328 HydrophobicContact CD1-CD2 4.46Å; R266-L328 HydrophobicContact CB-CD1 4.26Å
329L95Very high96.4Very high56 Ų5637.2 Ų37.229%0.29319%0.194SC..EExtended strand (participates in β ladder)trans-108.4127.1179.5-179.569.9000109.3E52 L55 K169 A171 T331E52-L329 HydrophobicContact CG-CD2 4.16Å; L55-L329 HydrophobicContact CD1-CD2 3.91Å; K169-L329 HydrophobicContact CB-CB 4.37Å; K169-L329 HydrophobicContact CD-CD2 3.95Å; K169-L329 HydrophobicContact CG-CB 4.4Å; K169-L329 HydrophobicContact CG-CD2 4.35Å; K169-L329 PolarHBondContact O-N 3.18Å; A171-L329 HydrophobicContact CB-CB 3.9Å; A171-L329 HydrophobicContact CB-CD2 3.84Å; A171-L329 HydrophobicContact CB-CG 4.36Å; L329-T331 PolarHBondContact O-N 3.23Å
330D95.4Very high96.3Very high96 Ų9636.8 Ų36.851%0.51319%0.192SC..  trans-68.3115.8163.4179.3-7000108.3K332D330-K332 PolarHBondContact O-N 2.85Å; D330-K332 PolarHBondContact OD1-N 2.91Å; D330-K332 VanDerWaalsContact OD2-CD 3.28Å; D330-K332 WeakPolarHBondContact OD2-CD 3.06Å; D330-K332 WeakPolarHBondContact OD2-CE 3.49Å; D330-K332 IonicContact OD2-NZ 3.66Å; D330-K332 PolarHBondContact OD2-NZ 3.43Å
331T96.8Very high96.4Very high17 Ų1736.1 Ų36.110%0.10419%0.189CC..  trans-73.2-7.9-175.674.50000113I51 P166 K169 L329 F333 R336I51-T331 HydrophobicContact CD1-CG2 4.22Å; I51-T331 HydrophobicContact CG2-CG2 4.15Å; P166-T331 HydrophobicContact CG-CG2 4.13Å; K169-T331 HydrophobicContact CB-CG2 3.91Å; L329-T331 PolarHBondContact O-N 3.23Å; T331-F333 VanDerWaalsContact C-N 3.28Å; T331-F333 PolarHBondContact O-N 2.97Å; T331-R336 PolarHBondContact O-NE 3.07Å; T331-R336 PolarHBondContact OG1-NH2 2.91Å
332K96.9Very high96.5Very high96 Ų9632 Ų3242%0.41717%0.167SC..  trans43.452.1179.4-55.9-69-173.3-166.20112.7L55 D330 W334 C335 R336L55-K332 HydrophobicContact CD2-CB 3.69Å; L55-K332 HydrophobicContact CD2-CG 4.1Å; D330-K332 PolarHBondContact O-N 2.85Å; D330-K332 PolarHBondContact OD1-N 2.91Å; D330-K332 VanDerWaalsContact OD2-CD 3.28Å; D330-K332 WeakPolarHBondContact OD2-CD 3.06Å; D330-K332 WeakPolarHBondContact OD2-CE 3.49Å; D330-K332 IonicContact OD2-NZ 3.66Å; D330-K332 PolarHBondContact OD2-NZ 3.43Å; K332-W334 PolarHBondContact O-N 3.28Å; K332-W334 VanDerWaalsContact O-N 3.15Å; K332-C335 HydrophobicContact CB-CB 3.98Å; K332-C335 WeakPolarHBondContact O-CB 3.36Å; K332-C335 PolarHBondContact O-N 3.39Å; K332-R336 PolarHBondContact O-N 2.67Å; K332-R336 VanDerWaalsContact O-N 3.11Å
333F97.4Very high96.5Very high22 Ų2233.6 Ų33.610%0.09618%0.175CC..Hα-helixtrans-43-50.4-177.9170.2-103.2000112.8L114 A155 I163 T165 T331 C335 R336 L337L114-F333 HydrophobicContact CD2-CE1 3.99Å; L114-F333 HydrophobicContact CD2-CZ 3.84Å; A155-F333 HydrophobicContact CB-CE2 3.79Å; A155-F333 HydrophobicContact CB-CZ 3.92Å; I163-F333 HydrophobicContact CB-CE2 4.06Å; I163-F333 HydrophobicContact CG2-CD2 3.6Å; I163-F333 HydrophobicContact CG2-CE2 3.48Å; I163-F333 VanDerWaalsContact CG2-CE2 3.48Å; T165-F333 HydrophobicContact CG2-CD2 3.98Å; T165-F333 HydrophobicContact CG2-CE2 4.45Å; T165-F333 HydrophobicContact CG2-CG 4.33Å; T165-F333 WeakPolarHBondContact OG1-CD2 3.43Å; T165-F333 VanDerWaalsContact OG1-CE2 3.23Å; T165-F333 WeakPolarHBondContact OG1-CE2 3.25Å; T331-F333 VanDerWaalsContact C-N 3.28Å; T331-F333 PolarHBondContact O-N 2.97Å; F333-C335 PolarHBondContact O-N 3.25Å; F333-R336 PolarHBondContact O-N 3.41Å; F333-L337 HydrophobicContact CE1-CD2 4.33Å; F333-L337 HydrophobicContact CZ-CD2 4.39Å; F333-L337 PolarHBondContact O-N 3.48Å
334W97.7Very high96.5Very high48 Ų4835.6 Ų35.618%0.18219%0.19CC..Hα-helixtrans-62.3-40.2-178.9-55.7115000113.3L71 W78 L89 F90 L114 K332 L337 C338L71-W334 HydrophobicContact CD1-CH2 4.35Å; L71-W334 HydrophobicContact CD2-CH2 3.58Å; L71-W334 HydrophobicContact CD2-CZ3 3.59Å; W78-W334 AromaticContact CE3-CH2 3.96Å; W78-W334 HydrophobicContact CE3-CH2 3.96Å; L89-W334 HydrophobicContact CB-CB 4.44Å; L89-W334 HydrophobicContact CB-CG 4.33Å; L89-W334 HydrophobicContact CD1-CD2 3.83Å; L89-W334 HydrophobicContact CD1-CE3 4.12Å; L89-W334 HydrophobicContact CD1-CG 4.22Å; L89-W334 HydrophobicContact CD1-CZ2 4.27Å; L89-W334 HydrophobicContact CD1-CZ3 4.46Å; L89-W334 HydrophobicContact CD2-CD2 4.4Å; L89-W334 HydrophobicContact CD2-CG 4.15Å; L89-W334 HydrophobicContact CG-CG 4.47Å; F90-W334 HydrophobicContact CD1-CB 4.28Å; F90-W334 HydrophobicContact CE1-CB 3.83Å; F90-W334 VanDerWaalsContact CE1-O 3.32Å; F90-W334 WeakPolarHBondContact CE1-O 3.37Å; F90-W334 HydrophobicContact CZ-CB 4.4Å; F90-W334 HydrophobicContact CZ-CE3 4.42Å; L114-W334 HydrophobicContact CD2-CH2 4.47Å; L114-W334 HydrophobicContact CD2-CZ3 4.14Å; K332-W334 PolarHBondContact O-N 3.28Å; K332-W334 VanDerWaalsContact O-N 3.15Å; W334-L337 HydrophobicContact CE3-CD2 4.13Å; W334-L337 HydrophobicContact CZ3-CD2 4.24Å; W334-L337 PolarHBondContact O-N 2.82Å; W334-C338 PolarHBondContact O-N 2.91Å
335C98.5Very high96.5Very high19 Ų1936.7 Ų36.713%0.12819%0.189CC..Hα-helixtrans-65-41.5176.4-57.60000112C93 K332 F333 C338 A339C93-C335 WeakPolarHBondContact CA-SG 3.45Å; C93-C335 HydrophobicContact CB-CB 3.65Å; C93-C335 WeakPolarHBondContact CB-SG 3.39Å; C93-C335 WeakPolarHBondContact SG-CA 3.34Å; C93-C335 WeakPolarHBondContact SG-CB 3.5Å; C93-C335 CovalentContact SG-SG 2.04Å; C93-C335 PolarHBondContact SG-SG 3.41Å; K332-C335 HydrophobicContact CB-CB 3.98Å; K332-C335 WeakPolarHBondContact O-CB 3.36Å; K332-C335 PolarHBondContact O-N 3.39Å; F333-C335 PolarHBondContact O-N 3.25Å; C335-C338 PolarHBondContact O-N 3.27Å; C335-A339 WeakPolarHBondContact O-CB 3.29Å; C335-A339 PolarHBondContact O-N 2.96Å
336R98.4Very high96.5Very high1 Ų143.3 Ų43.30%0.00421%0.214CC..Hα-helixtrans-64.5-45.6176.5-68.3-172.8-73.1138.4-4.5111.4Q54 L55 V164 T331 K332 F333 C338 A339 L340Q54-R336 HydrophobicContact CB-CB 4.23Å; Q54-R336 VanDerWaalsContact CB-CD 3.49Å; Q54-R336 HydrophobicContact CB-CG 3.84Å; L55-R336 HydrophobicContact CD2-CG 3.95Å; L55-R336 HydrophobicContact CG-CG 4.19Å; V164-R336 VanDerWaalsContact O-CZ 3.31Å; V164-R336 PolarHBondContact O-NH1 3.28Å; V164-R336 PolarHBondContact O-NH2 2.98Å; T331-R336 PolarHBondContact O-NE 3.07Å; T331-R336 PolarHBondContact OG1-NH2 2.91Å; K332-R336 PolarHBondContact O-N 2.67Å; K332-R336 VanDerWaalsContact O-N 3.11Å; F333-R336 PolarHBondContact O-N 3.41Å; R336-C338 PolarHBondContact O-N 2.92Å; R336-A339 PolarHBondContact O-N 2.79Å; R336-L340 WeakPolarHBondContact O-CG 3.44Å; R336-L340 PolarHBondContact O-N 3.47Å
337L98.5Very high96.5Very high0 Ų042.3 Ų42.30%021%0.21CC..Hα-helixtrans-56.7-49.6175.4172.962.3000111.3I69 L114 I132 W153 I163 F333 W334 A339 L340 L341I69-L337 HydrophobicContact CD1-CD2 3.89Å; I69-L337 HydrophobicContact CD1-CG 4.12Å; I69-L337 HydrophobicContact CG2-CD2 4.08Å; L114-L337 HydrophobicContact CD1-CD2 3.99Å; L114-L337 HydrophobicContact CD2-CD2 4.23Å; I132-L337 HydrophobicContact CD1-CD1 3.74Å; W153-L337 HydrophobicContact CZ3-CD1 4.28Å; I163-L337 HydrophobicContact CD1-CB 4Å; I163-L337 HydrophobicContact CD1-CD1 3.41Å; I163-L337 VanDerWaalsContact CD1-CD1 3.41Å; I163-L337 HydrophobicContact CD1-CG 4.28Å; F333-L337 HydrophobicContact CE1-CD2 4.33Å; F333-L337 HydrophobicContact CZ-CD2 4.39Å; F333-L337 PolarHBondContact O-N 3.48Å; W334-L337 HydrophobicContact CE3-CD2 4.13Å; W334-L337 HydrophobicContact CZ3-CD2 4.24Å; W334-L337 PolarHBondContact O-N 2.82Å; L337-A339 VanDerWaalsContact C-N 3.35Å; L337-A339 PolarHBondContact O-N 2.93Å; L337-L340 PolarHBondContact O-N 2.85Å; L337-L341 HydrophobicContact CD1-CD1 3.85Å; L337-L341 HydrophobicContact CD1-CD2 4.43Å; L337-L341 HydrophobicContact CD1-CG 3.94Å; L337-L341 HydrophobicContact CG-CD1 3.96Å; L337-L341 HydrophobicContact CG-CG 4.44Å; L337-L341 VanDerWaalsContact O-CG 3.3Å; L337-L341 WeakPolarHBondContact O-CG 3.43Å; L337-L341 PolarHBondContact O-N 3.41Å
338C98.7Very high96.6Very high0 Ų044 Ų440%022%0.217CC..Hα-helixtrans-61.8-42.5-180-173.20000112.4F90 C98 W334 C335 R336 L340 L341 N342F90-C338 HydrophobicContact CD1-CB 3.75Å; F90-C338 HydrophobicContact CE1-CB 3.9Å; C98-C338 HydrophobicContact CB-CB 3.81Å; C98-C338 WeakPolarHBondContact CB-SG 3.45Å; C98-C338 WeakPolarHBondContact SG-CA 3Å; C98-C338 WeakPolarHBondContact SG-CB 3.37Å; C98-C338 CovalentContact SG-SG 2.04Å; C98-C338 PolarHBondContact SG-SG 2.97Å; W334-C338 PolarHBondContact O-N 2.91Å; C335-C338 PolarHBondContact O-N 3.27Å; R336-C338 PolarHBondContact O-N 2.92Å; C338-L340 PolarHBondContact O-N 2.82Å; C338-L341 PolarHBondContact O-N 3.2Å; C338-N342 PolarHBondContact O-ND2 3.44Å
339A98.4Very high96.7Very high2 Ų242.7 Ų42.72%0.01721%0.208CC..Hα-helixtrans-60.6-45.7176.200000112.1F57 V95 C335 R336 L337 N342F57-A339 HydrophobicContact CD1-CB 4.03Å; V95-A339 HydrophobicContact CB-CB 4.12Å; V95-A339 HydrophobicContact CG2-CB 4.05Å; C335-A339 WeakPolarHBondContact O-CB 3.29Å; C335-A339 PolarHBondContact O-N 2.96Å; R336-A339 PolarHBondContact O-N 2.79Å; L337-A339 VanDerWaalsContact C-N 3.35Å; L337-A339 PolarHBondContact O-N 2.93Å; A339-N342 PolarHBondContact O-N 2.9Å
340L98Very high96.8Very high0 Ų046.7 Ų46.70%023%0.225CC..Hα-helixtrans-67.7-34.4179.9-67.7172.1000113.2I40 W41 Q54 F57 W153 I163 R336 L337 C338 N342 E343I40-L340 HydrophobicContact CB-CD2 4.41Å; I40-L340 HydrophobicContact CD1-CD2 4.01Å; I40-L340 HydrophobicContact CG1-CD2 4.44Å; W41-L340 HydrophobicContact CH2-CB 4.24Å; W41-L340 HydrophobicContact CH2-CD2 4.26Å; W41-L340 HydrophobicContact CZ2-CB 4.43Å; W41-L340 HydrophobicContact CZ2-CD2 3.93Å; Q54-L340 HydrophobicContact CG-CD1 4.35Å; F57-L340 HydrophobicContact CD1-CD2 4.06Å; F57-L340 HydrophobicContact CE1-CD2 4.17Å; W153-L340 HydrophobicContact CH2-CB 4.25Å; W153-L340 HydrophobicContact CZ3-CB 4.21Å; I163-L340 HydrophobicContact CD1-CD1 4.14Å; I163-L340 HydrophobicContact CG1-CD1 3.8Å; R336-L340 WeakPolarHBondContact O-CG 3.44Å; R336-L340 PolarHBondContact O-N 3.47Å; L337-L340 PolarHBondContact O-N 2.85Å; C338-L340 PolarHBondContact O-N 2.82Å; L340-N342 PolarHBondContact O-N 3.5Å; L340-E343 CarbonylContact O-C 3.58Å; L340-E343 PolarHBondContact O-N 2.81Å; L340-E343 VanDerWaalsContact O-N 3.07Å
341L98.1Very high96.9Very high0 Ų043.6 Ų43.60%021%0.209CC..Hα-helixtrans-65.4-17.8177.7-72.8172.7000114.1R63 L67 I69 A112 I130 W153 L337 C338R63-L341 WeakPolarHBondContact CD-O 3.22Å; L67-L341 HydrophobicContact CD1-CB 3.8Å; I69-L341 HydrophobicContact CD1-CD1 3.7Å; I69-L341 HydrophobicContact CG1-CD1 3.64Å; A112-L341 HydrophobicContact CB-CD1 3.76Å; A112-L341 HydrophobicContact CB-CD2 3.65Å; A112-L341 HydrophobicContact CB-CG 4.37Å; I130-L341 HydrophobicContact CB-CD2 4.43Å; I130-L341 HydrophobicContact CD1-CD2 3.51Å; W153-L341 HydrophobicContact CE3-CD2 4.42Å; W153-L341 HydrophobicContact CH2-CD2 3.67Å; W153-L341 HydrophobicContact CH2-CG 4.3Å; W153-L341 HydrophobicContact CZ3-CD2 3.48Å; W153-L341 VanDerWaalsContact CZ3-CD2 3.48Å; W153-L341 HydrophobicContact CZ3-CG 3.99Å; L337-L341 HydrophobicContact CD1-CD1 3.85Å; L337-L341 HydrophobicContact CD1-CD2 4.43Å; L337-L341 HydrophobicContact CD1-CG 3.94Å; L337-L341 HydrophobicContact CG-CD1 3.96Å; L337-L341 HydrophobicContact CG-CG 4.44Å; L337-L341 VanDerWaalsContact O-CG 3.3Å; L337-L341 WeakPolarHBondContact O-CG 3.43Å; L337-L341 PolarHBondContact O-N 3.41Å; C338-L341 PolarHBondContact O-N 3.2Å
342N97.8Very high96.9Very high8 Ų842.8 Ų42.84%0.04320%0.204CC..THydrogen-bonded Turntrans-81.4-19.3174.3-80.8-82.9000113.4P59 L62 R63 V95 N97 C338 A339 L340P59-N342 HydrophobicContact CB-CB 3.97Å; P59-N342 HydrophobicContact CG-CB 3.65Å; L62-N342 WeakPolarHBondContact CA-OD1 3.09Å; L62-N342 HydrophobicContact CD2-CB 4.09Å; L62-N342 WeakPolarHBondContact CD2-OD1 3.45Å; R63-N342 PolarHBondContact N-OD1 2.95Å; V95-N342 WeakPolarHBondContact CG1-ND2 3.36Å; N97-N342 PolarHBondContact ND2-OD1 3.01Å; N97-N342 PolarHBondContact OD1-ND2 3.42Å; N97-N342 PolarHBondContact OD1-OD1 3.22Å; C338-N342 PolarHBondContact O-ND2 3.44Å; A339-N342 PolarHBondContact O-N 2.9Å; L340-N342 PolarHBondContact O-N 3.5Å
343E94.9Very high96.9Very high56 Ų5640.7 Ų40.726%0.26220%0.196SC..SBendtrans-136.165.6173.4-165.6-176.7150.300109.4K37 F57 P59 P60 L340K37-E343 IonicContact NZ-OE1 2.67Å; K37-E343 PolarHBondContact NZ-OE1 2.91Å; F57-E343 HydrophobicContact CE1-CB 4.48Å; F57-E343 HydrophobicContact CZ-CB 4Å; F57-E343 WeakPolarHBondContact CZ-OE2 3.37Å; P59-E343 HydrophobicContact CB-CB 4.17Å; P60-E343 WeakPolarHBondContact CD-OE2 3.49Å; L340-E343 CarbonylContact O-C 3.58Å; L340-E343 PolarHBondContact O-N 2.81Å; L340-E343 VanDerWaalsContact O-N 3.07Å
344P95.2Very high96.9Very high58 Ų5847.1 Ų47.138%0.37722%0.223SC..PPolyproline II helixtrans-68.9139.4-172.629.4-34.7000111I130 W153I130-P344 HydrophobicContact CD1-CB 3.67Å; I130-P344 HydrophobicContact CD1-CG 4.49Å; W153-P344 HydrophobicContact CH2-CB 4.01Å; W153-P344 HydrophobicContact CZ2-CB 3.63Å
345R93.7Very high96.8Very high93 Ų9346.7 Ų46.735%0.35122%0.222SC..PPolyproline II helixtrans-90.5127.4168.8-173.2171.7-177.8159-1.1109.6W41 E43 D44 W153 K347W41-R345 HydrophobicContact CD2-CB 3.87Å; W41-R345 HydrophobicContact CE3-CB 4.24Å; W41-R345 HydrophobicContact CG-CB 4.43Å; W41-R345 HydrophobicContact CH2-CB 4.18Å; W41-R345 HydrophobicContact CZ2-CB 3.74Å; W41-R345 HydrophobicContact CZ3-CB 4.39Å; E43-R345 IonicContact OE2-CZ 3.38Å; E43-R345 IonicContact OE2-NE 2.7Å; E43-R345 IonicContact OE2-NH1 3.58Å; D44-R345 IonicContact OD1-CZ 2.85Å; D44-R345 IonicContact OD1-NH1 2.64Å; D44-R345 PolarHBondContact OD1-NH1 3.35Å; D44-R345 IonicContact OD2-NH1 3.31Å; W153-R345 PolarHBondContact NE1-O 2.7Å; R345-K347 PolarHBondContact O-N 2.91Å
346E93.1Very high96.8Very high193 Ų19345.8 Ų45.890%0.90222%0.216SC*.PPolyproline II helixtrans-67.4119.3171.6-172.2177.4-179.600109.3
347K94.2Very high96.6Very high27 Ų2747.9 Ų47.912%0.11723%0.23CC..  trans-163.2160.4176.258.8175.9-69.4169.30110.8E43 N152 D162 R345 Y349E43-K347 IonicContact OE1-NZ 3.75Å; E43-K347 PolarHBondContact OE1-NZ 2.93Å; E43-K347 IonicContact OE2-NZ 3.48Å; N152-K347 WeakPolarHBondContact CA-O 3.49Å; N152-K347 WeakPolarHBondContact CB-O 3.31Å; N152-K347 PolarHBondContact ND2-O 3.29Å; N152-K347 WeakPolarHBondContact O-CG 3.34Å; D162-K347 VanDerWaalsContact OD1-CD 3.29Å; D162-K347 WeakPolarHBondContact OD1-CD 3.45Å; D162-K347 WeakPolarHBondContact OD1-CE 3.45Å; D162-K347 IonicContact OD1-NZ 2.7Å; D162-K347 PolarHBondContact OD1-NZ 3.42Å; D162-K347 IonicContact OD2-NZ 2.85Å; R345-K347 PolarHBondContact O-N 2.91Å; K347-Y349 VanDerWaalsContact CE-CE2 3.48Å; K347-Y349 PolarHBondContact NZ-OH 2.91Å
348V96.1Very high96.5Very high72 Ų7249.8 Ų49.844%0.43624%0.243SC..  trans-143.2136.4-176.7179.70000109.9T150 V151T150-V348 HydrophobicContact CG2-CG1 3.3Å; V151-V348 WeakPolarHBondContact O-CA 3.32Å
349Y97.5Very high96.3Very high32 Ų3256.3 Ų56.313%0.12529%0.285CS..BIsolated β-bridgetrans-102.9102.9161.1-61-95.3000107.7T150 V151 N152 T154 D162 K347 N351 I352 W355T150-Y349 WeakPolarHBondContact CA-O 3.23Å; V151-Y349 HydrophobicContact CG2-CD2 3.98Å; V151-Y349 HydrophobicContact CG2-CG 4.34Å; V151-Y349 PolarHBondContact N-O 3.28Å; V151-Y349 VanDerWaalsContact N-O 3.17Å; V151-Y349 PolarHBondContact O-N 2.96Å; N152-Y349 VanDerWaalsContact O-CD2 3.26Å; N152-Y349 WeakPolarHBondContact O-CD2 3.43Å; N152-Y349 WeakPolarHBondContact O-CE2 3.12Å; T154-Y349 HydrophobicContact CG2-CD2 4.1Å; T154-Y349 HydrophobicContact CG2-CE1 4.33Å; T154-Y349 HydrophobicContact CG2-CE2 3.7Å; T154-Y349 PolarHBondContact OG1-OH 3.32Å; D162-Y349 VanDerWaalsContact OD2-CE2 3.23Å; D162-Y349 WeakPolarHBondContact OD2-CE2 3.42Å; D162-Y349 PolarHBondContact OD2-OH 3.33Å; K347-Y349 VanDerWaalsContact CE-CE2 3.48Å; K347-Y349 PolarHBondContact NZ-OH 2.91Å; Y349-N351 VanDerWaalsContact C-N 3.29Å; Y349-N351 PolarHBondContact O-N 3.05Å; Y349-I352 HydrophobicContact CD1-CD1 4.42Å; Y349-I352 HydrophobicContact CG-CD1 4.15Å; Y349-W355 HydrophobicContact CD1-CB 3.97Å; Y349-W355 HydrophobicContact CD1-CD2 4.47Å; Y349-W355 AromaticContact CD1-CG 3.89Å; Y349-W355 HydrophobicContact CD1-CG 3.89Å; Y349-W355 HydrophobicContact CE1-CB 4.42Å; Y349-W355 AromaticContact CE1-CD1 3.62Å; Y349-W355 HydrophobicContact CE1-CD2 4.2Å; Y349-W355 AromaticContact CE1-CG 3.83Å; Y349-W355 HydrophobicContact CE1-CG 3.83Å; Y349-W355 AromaticContact CE1-NE1 3.86Å
350E96.9Very high96.1Very high141 Ų14159.9 Ų59.966%0.65932%0.322SS*.SBendtrans-57.2-40.4-173.5-66.6-60.2158.200113.4T150T150-E350 PolarHBondContact OG1-O 3.36Å
351N97.4Very high95.9Very high30 Ų3060.9 Ų60.916%0.1633%0.327CS..SBendtrans-136.9102.5172179.9-15.5000107.7N147 G148 Y349 E353 K354N147-N351 PolarHBondContact OD1-ND2 3.46Å; G148-N351 VanDerWaalsContact N-CG 3.34Å; G148-N351 PolarHBondContact N-ND2 2.02Å; G148-N351 PolarHBondContact N-OD1 3.27Å; Y349-N351 VanDerWaalsContact C-N 3.29Å; Y349-N351 PolarHBondContact O-N 3.05Å; N351-E353 PolarHBondContact O-N 3.5Å; N351-E353 VanDerWaalsContact OD1-CB 3.3Å; N351-E353 WeakPolarHBondContact OD1-CB 3.22Å; N351-E353 PolarHBondContact OD1-N 3.41Å; N351-E353 VanDerWaalsContact OD1-N 3.13Å; N351-K354 HydrophobicContact CB-CD 4.11Å; N351-K354 HydrophobicContact CB-CG 4.13Å; N351-K354 WeakPolarHBondContact O-CB 3.48Å; N351-K354 PolarHBondContact O-N 3.42Å; N351-K354 VanDerWaalsContact O-N 3.11Å
352I97.6Very high95.8Very high0 Ų061.9 Ų61.90%033%0.334CS..Hα-helixtrans-62.5-29.7-174.7-172.156000112.9F133 I146 I149 V151 T154 Y349 K354 W355 W356F133-I352 HydrophobicContact CB-CD1 4.4Å; F133-I352 HydrophobicContact CB-CG1 3.86Å; F133-I352 HydrophobicContact CD1-CD1 4.23Å; F133-I352 HydrophobicContact CD1-CG1 3.79Å; F133-I352 HydrophobicContact CG-CG1 3.92Å; I146-I352 HydrophobicContact CB-CG2 3.65Å; I146-I352 HydrophobicContact CD1-CG2 3.99Å; I146-I352 HydrophobicContact CG1-CG2 3.95Å; I146-I352 WeakPolarHBondContact O-CG2 3.44Å; I149-I352 HydrophobicContact CB-CG2 4.08Å; I149-I352 WeakPolarHBondContact O-CG2 3.36Å; I149-I352 PolarHBondContact O-N 2.69Å; V151-I352 HydrophobicContact CG1-CB 4.32Å; V151-I352 HydrophobicContact CG1-CG2 4.37Å; V151-I352 HydrophobicContact CG2-CB 3.92Å; V151-I352 HydrophobicContact CG2-CD1 3.64Å; V151-I352 HydrophobicContact CG2-CG1 3.79Å; T154-I352 HydrophobicContact CG2-CD1 3.49Å; T154-I352 VanDerWaalsContact CG2-CD1 3.49Å; Y349-I352 HydrophobicContact CD1-CD1 4.42Å; Y349-I352 HydrophobicContact CG-CD1 4.15Å; I352-K354 VanDerWaalsContact C-N 3.28Å; I352-K354 PolarHBondContact O-N 3.23Å; I352-W355 HydrophobicContact CD1-CB 4.37Å; I352-W355 HydrophobicContact CD1-CD2 4.25Å; I352-W355 HydrophobicContact CD1-CE3 3.57Å; I352-W355 HydrophobicContact CD1-CZ3 4.24Å; I352-W355 PolarHBondContact O-N 3.42Å; I352-W355 VanDerWaalsContact O-N 3.13Å; I352-W356 VanDerWaalsContact O-CB 3.29Å; I352-W356 WeakPolarHBondContact O-CB 3.4Å; I352-W356 PolarHBondContact O-N 3.34Å
353E97Very high95.5Very high53 Ų5365.5 Ų65.525%0.24835%0.35CS..Hα-helixtrans-59.9-38.8175.8-174.268.8-149.400111.7I146 N147 N351 W355 W356 S357I146-E353 HydrophobicContact CG1-CB 4.23Å; I146-E353 WeakPolarHBondContact CG1-OE2 3.42Å; N147-E353 HydrophobicContact CB-CB 4.22Å; N147-E353 HydrophobicContact CB-CG 4.24Å; N351-E353 PolarHBondContact O-N 3.5Å; N351-E353 VanDerWaalsContact OD1-CB 3.3Å; N351-E353 WeakPolarHBondContact OD1-CB 3.22Å; N351-E353 PolarHBondContact OD1-N 3.41Å; N351-E353 VanDerWaalsContact OD1-N 3.13Å; E353-W355 VanDerWaalsContact C-N 3.27Å; E353-W355 PolarHBondContact O-N 3.03Å; E353-W356 PolarHBondContact O-N 2.98Å; E353-S357 PolarHBondContact O-N 2.96Å; E353-S357 WeakPolarHBondContact OE1-CB 3.48Å
354K97.1Very high94.9Very high156 Ų15668.6 Ų68.668%0.67837%0.373SS*.Hα-helixtrans-63.7-35177.6-69.8-176.5175.7176.40112.1N351 I352 P358N351-K354 HydrophobicContact CB-CD 4.11Å; N351-K354 HydrophobicContact CB-CG 4.13Å; N351-K354 WeakPolarHBondContact O-CB 3.48Å; N351-K354 PolarHBondContact O-N 3.42Å; N351-K354 VanDerWaalsContact O-N 3.11Å; I352-K354 VanDerWaalsContact C-N 3.28Å; I352-K354 PolarHBondContact O-N 3.23Å; K354-P358 WeakPolarHBondContact O-CB 3.28Å
355W96.4Very high94.1Very high39 Ų3969.5 Ų69.515%0.14837%0.374CS..Hα-helixtrans-76.5-43.7174.1172.687.9000111T154 T156 R158 D160 Y349 I352 E353 P358T154-W355 HydrophobicContact CG2-CD2 4.28Å; T154-W355 HydrophobicContact CG2-CE3 3.86Å; T154-W355 HydrophobicContact CG2-CH2 3.84Å; T154-W355 HydrophobicContact CG2-CZ2 4.26Å; T154-W355 HydrophobicContact CG2-CZ3 3.62Å; T156-W355 HydrophobicContact CG2-CH2 4.05Å; T156-W355 HydrophobicContact CG2-CZ3 4.01Å; R158-W355 HydrophobicContact CB-CH2 4.42Å; R158-W355 PolarHBondContact NH1-O 2.98Å; R158-W355 PolarHBondContact NH2-O 2.99Å; D160-W355 WeakPolarHBondContact OD1-CZ2 3.28Å; Y349-W355 HydrophobicContact CD1-CB 3.97Å; Y349-W355 HydrophobicContact CD1-CD2 4.47Å; Y349-W355 AromaticContact CD1-CG 3.89Å; Y349-W355 HydrophobicContact CD1-CG 3.89Å; Y349-W355 HydrophobicContact CE1-CB 4.42Å; Y349-W355 AromaticContact CE1-CD1 3.62Å; Y349-W355 HydrophobicContact CE1-CD2 4.2Å; Y349-W355 AromaticContact CE1-CG 3.83Å; Y349-W355 HydrophobicContact CE1-CG 3.83Å; Y349-W355 AromaticContact CE1-NE1 3.86Å; I352-W355 HydrophobicContact CD1-CB 4.37Å; I352-W355 HydrophobicContact CD1-CD2 4.25Å; I352-W355 HydrophobicContact CD1-CE3 3.57Å; I352-W355 HydrophobicContact CD1-CZ3 4.24Å; I352-W355 PolarHBondContact O-N 3.42Å; I352-W355 VanDerWaalsContact O-N 3.13Å; E353-W355 VanDerWaalsContact C-N 3.27Å; E353-W355 PolarHBondContact O-N 3.03Å; W355-P358 WeakPolarHBondContact O-CD 3.32Å
356W96.9Very high92.8Very high1 Ų170 Ų700%0.00438%0.381CS..Hα-helixtrans-71.9-48.4-171.1176.6-124000113.5F133 S135 E137 P139 S142 I146 T156 Y157 R158 I352 E353F133-W356 HydrophobicContact CE1-CB 4.24Å; F133-W356 AromaticContact CE1-CD2 3.6Å; F133-W356 HydrophobicContact CE1-CD2 3.6Å; F133-W356 AromaticContact CE1-CE2 3.92Å; F133-W356 AromaticContact CE1-CE3 3.94Å; F133-W356 HydrophobicContact CE1-CE3 3.94Å; F133-W356 AromaticContact CE1-CG 3.74Å; F133-W356 HydrophobicContact CE1-CG 3.74Å; F133-W356 HydrophobicContact CE1-CZ2 4.46Å; F133-W356 HydrophobicContact CE1-CZ3 4.49Å; F133-W356 HydrophobicContact CZ-CD2 4.1Å; F133-W356 AromaticContact CZ-CE2 3.97Å; F133-W356 HydrophobicContact CZ-CG 4.14Å; F133-W356 HydrophobicContact CZ-CZ2 4.47Å; F133-W356 AromaticContact CZ-NE1 3.97Å; S135-W356 WeakPolarHBondContact OG-CZ2 3.42Å; E137-W356 WeakPolarHBondContact O-CH2 3.29Å; E137-W356 WeakPolarHBondContact O-CZ2 3.15Å; P139-W356 HydrophobicContact CG-CD2 4.38Å; P139-W356 HydrophobicContact CG-CZ2 4.29Å; S142-W356 PolarHBondContact OG-NE1 2.77Å; I146-W356 HydrophobicContact CD1-CB 4.2Å; I146-W356 HydrophobicContact CD1-CG 4.12Å; T156-W356 HydrophobicContact CG2-CE3 4.1Å; T156-W356 HydrophobicContact CG2-CH2 4.22Å; T156-W356 HydrophobicContact CG2-CZ3 3.66Å; T156-W356 WeakPolarHBondContact OG1-CZ3 3.44Å; Y157-W356 AromaticContact CD1-CH2 3.99Å; Y157-W356 HydrophobicContact CD1-CH2 3.99Å; Y157-W356 AromaticContact CE1-CH2 3.36Å; Y157-W356 HydrophobicContact CE1-CH2 3.36Å; Y157-W356 HydrophobicContact CE1-CZ2 4.22Å; Y157-W356 HydrophobicContact CE1-CZ3 4.06Å; Y157-W356 AromaticContact CZ-CH2 3.97Å; R158-W356 HydrophobicContact CG-CZ3 4.12Å; R158-W356 PolarHBondContact NH1-O 2.91Å; I352-W356 VanDerWaalsContact O-CB 3.29Å; I352-W356 WeakPolarHBondContact O-CB 3.4Å; I352-W356 PolarHBondContact O-N 3.34Å; E353-W356 PolarHBondContact O-N 2.98Å
357S95.3Very high91.1Very high44 Ų4470 Ų7031%0.30837%0.374SS..SBendtrans-126.152.7-175.2-168.50000113.6P139 E353P139-S357 WeakPolarHBondContact CB-OG 3.49Å; E353-S357 PolarHBondContact O-N 2.96Å; E353-S357 WeakPolarHBondContact OE1-CB 3.48Å
358P95.7Very high89.6Confident40 Ų4071.5 Ų71.526%0.2638%0.378SS..  trans-66.6157.2175.627.5-32.4000111.2K354 W355 G360 I361K354-P358 WeakPolarHBondContact O-CB 3.28Å; W355-P358 WeakPolarHBondContact O-CD 3.32Å; P358-G360 PolarHBondContact O-N 3.28Å; P358-I361 HydrophobicContact CG-CB 4.11Å; P358-I361 HydrophobicContact CG-CD1 4.36Å; P358-I361 HydrophobicContact CG-CG1 4.48Å; P358-I361 VanDerWaalsContact O-CB 3.29Å; P358-I361 WeakPolarHBondContact O-CB 3.3Å; P358-I361 WeakPolarHBondContact O-CG2 3.37Å; P358-I361 PolarHBondContact O-N 3.47Å; P358-I361 VanDerWaalsContact O-N 3.16Å
359P94.6Very high87.3Confident137 Ų13772.8 Ų72.889%0.8939%0.388SS*.THydrogen-bonded Turntrans-51.5136.3172.2-2634.7000112.1I361P359-I361 VanDerWaalsContact C-N 3.3Å; P359-I361 PolarHBondContact O-N 3.29Å
360G93.9Very high84.7Confident78 Ų7874.4 Ų74.480%0.80441%0.405SS*.THydrogen-bonded Turntrans79.90.1179.500000115.6P358 C362P358-G360 PolarHBondContact O-N 3.28Å; G360-C362 PolarHBondContact O-N 2.98Å
361I95.3Very high82.2Confident20 Ų2075.2 Ų75.210%0.10341%0.406CS..SBendtrans-62.4-30.4176.4-166.463.2000112.9P139 C252 R253 P358 P359P139-I361 HydrophobicContact CG-CG2 4.36Å; C252-I361 WeakPolarHBondContact CA-O 3.33Å; R253-I361 HydrophobicContact CB-CD1 3.73Å; R253-I361 HydrophobicContact CG-CD1 4.44Å; R253-I361 PolarHBondContact N-O 2.97Å; P358-I361 HydrophobicContact CG-CB 4.11Å; P358-I361 HydrophobicContact CG-CD1 4.36Å; P358-I361 HydrophobicContact CG-CG1 4.48Å; P358-I361 VanDerWaalsContact O-CB 3.29Å; P358-I361 WeakPolarHBondContact O-CB 3.3Å; P358-I361 WeakPolarHBondContact O-CG2 3.37Å; P358-I361 PolarHBondContact O-N 3.47Å; P358-I361 VanDerWaalsContact O-N 3.16Å; P359-I361 VanDerWaalsContact C-N 3.3Å; P359-I361 PolarHBondContact O-N 3.29Å
362C95.5Very high79.6Confident22 Ų2279.6 Ų79.615%0.14943%0.425CS..EExtended strand (participates in β ladder)trans-124.6136.4176.6-54.20000110.3R251 C252 G360R251-C362 CarbonylContact O-C 3.49Å; R251-C362 WeakPolarHBondContact O-CA 3.05Å; C252-C362 HydrophobicContact CB-CB 4.02Å; C252-C362 WeakPolarHBondContact CB-SG 3.37Å; C252-C362 WeakPolarHBondContact SG-CB 3.41Å; C252-C362 CovalentContact SG-SG 2.02Å; C252-C362 PolarHBondContact SG-SG 2.74Å; G360-C362 PolarHBondContact O-N 2.98Å
363K92Very high76.7Confident84 Ų8487 Ų8737%0.36546%0.46SS..EExtended strand (participates in β ladder)trans-74124.1167.9-71.9-170.9179179.70109.7R251 E294 D365R251-K363 HydrophobicContact CB-CB 4.03Å; R251-K363 PolarHBondContact NH2-O 2.92Å; R251-K363 PolarHBondContact O-N 2.98Å; E294-K363 IonicContact OE1-NZ 3.67Å; E294-K363 PolarHBondContact OE1-NZ 3.46Å; E294-K363 VanDerWaalsContact OE1-NZ 3.07Å; K363-D365 WeakPolarHBondContact CB-OD1 3.43Å
364T80.6Confident73.9Confident121 Ų12191.5 Ų91.574%0.74249%0.485SS*.  trans-106.6-10.3-179.553.70000113.6Q366T364-Q366 PolarHBondContact O-N 3.2Å; T364-Q366 VanDerWaalsContact O-N 3.12Å
365D78.8Confident70.8Confident76 Ų7691.2 Ų91.241%0.40649%0.491SS..  trans-66.9104.3176.461-30.3000111.3R251 K363 Y367R251-D365 IonicContact CZ-OD1 3.63Å; R251-D365 PolarHBondContact NH1-O 3.34Å; R251-D365 IonicContact NH1-OD1 2.76Å; R251-D365 PolarHBondContact NH1-OD1 2.79Å; R251-D365 PolarHBondContact NH2-O 3.23Å; R251-D365 IonicContact NH2-OD1 2.71Å; R251-D365 PolarHBondContact NH2-OD1 3.42Å; K363-D365 WeakPolarHBondContact CB-OD1 3.43Å; D365-Y367 PolarHBondContact O-N 3.11Å
366Q66.3Low68.2Low105 Ų10594.8 Ų94.849%0.49152%0.519SS..  trans-65.91.9172.6-63.9-174.5-11.600113.3T364 W368T364-Q366 PolarHBondContact O-N 3.2Å; T364-Q366 VanDerWaalsContact O-N 3.12Å; Q366-W368 PolarHBondContact O-N 3.24Å; Q366-W368 PolarHBondContact O-NE1 3.12Å
367Y57.9Low65.3Low193 Ų193100.4 Ų100.476%0.75755%0.554SS**  trans-73.1117.9174.3-85.7-84.1000111.1D365D365-Y367 PolarHBondContact O-N 3.11Å
368W62.6Low62.4Low57 Ų57104.5 Ų104.522%0.21658%0.583CS.*  trans-86.9124.5156.9-45.898.7000105.4Y206 L274 V293 Q366 S370Y206-W368 HydrophobicContact CD2-CB 4.44Å; Y206-W368 AromaticContact CD2-CD1 3.7Å; Y206-W368 AromaticContact CD2-CD2 3.45Å; Y206-W368 HydrophobicContact CD2-CD2 3.45Å; Y206-W368 VanDerWaalsContact CD2-CD2 3.45Å; Y206-W368 AromaticContact CD2-CE2 3.57Å; Y206-W368 HydrophobicContact CD2-CE3 4.01Å; Y206-W368 AromaticContact CD2-CG 3.58Å; Y206-W368 HydrophobicContact CD2-CG 3.58Å; Y206-W368 HydrophobicContact CD2-CZ2 4.25Å; Y206-W368 AromaticContact CD2-NE1 3.67Å; Y206-W368 HydrophobicContact CE2-CB 4.4Å; Y206-W368 AromaticContact CE2-CD2 3.93Å; Y206-W368 HydrophobicContact CE2-CD2 3.93Å; Y206-W368 HydrophobicContact CE2-CE3 4.17Å; Y206-W368 AromaticContact CE2-CG 3.97Å; Y206-W368 HydrophobicContact CE2-CG 3.97Å; Y206-W368 HydrophobicContact CG-CD2 4.49Å; L274-W368 HydrophobicContact CD1-CH2 3.27Å; L274-W368 HydrophobicContact CD1-CZ2 3.66Å; L274-W368 HydrophobicContact CD1-CZ3 3.8Å; L274-W368 HydrophobicContact CD2-CH2 3.53Å; L274-W368 HydrophobicContact CD2-CZ2 4.3Å; L274-W368 HydrophobicContact CD2-CZ3 4.33Å; L274-W368 HydrophobicContact CG-CH2 3.35Å; L274-W368 HydrophobicContact CG-CZ2 4.21Å; L274-W368 HydrophobicContact CG-CZ3 3.75Å; V293-W368 HydrophobicContact CG2-CZ3 4.23Å; Q366-W368 PolarHBondContact O-N 3.24Å; Q366-W368 PolarHBondContact O-NE1 3.12Å; W368-S370 PolarHBondContact O-N 3.18Å
369P47.4Very low59.4Low99 Ų99107.1 Ų107.164%0.64360%0.602SS**  trans-59.4102178.7-19.529.6000109.2T297 K371T297-P369 VanDerWaalsContact O-O 3.06Å; P369-K371 VanDerWaalsContact C-N 3.27Å; P369-K371 PolarHBondContact O-N 3.32Å
370S44.3Very low56.5Low67 Ų67105.8 Ų105.847%0.46960%0.596SS.*  trans-68.595.4160.456.20000105.4W368 E372W368-S370 PolarHBondContact O-N 3.18Å; S370-E372 PolarHBondContact O-N 3.31Å
371K44Very low54Low157 Ų157111.7 Ų111.768%0.68363%0.625SS**THydrogen-bonded Turntrans-68.513.6169-75.1-167.4176.7-178.10112.5T297 P369T297-K371 HydrophobicContact CG2-CB 3.9Å; T297-K371 HydrophobicContact CG2-CD 4.07Å; T297-K371 HydrophobicContact CG2-CG 4.36Å; P369-K371 VanDerWaalsContact C-N 3.27Å; P369-K371 PolarHBondContact O-N 3.32Å
372E42.8Very low52Low122 Ų122116.3 Ų116.357%0.5765%0.651SS**THydrogen-bonded Turntrans-98.715.2-179.1-100.3178169.300114.3S370S370-E372 PolarHBondContact O-N 3.31Å
373H37.3Very low49.7Very low157 Ų157121.2 Ų121.273%0.72768%0.677SS**  trans-108.246163.7-69.4-50.6000112.5
374D36.6Very low47.3Very low146 Ų146123.3 Ų123.378%0.78170%0.695SS**SBendtrans-100.6100.9150.2-75.4-32.2000107P376D374-P376 WeakPolarHBondContact O-CD 3.47Å
375N32.8Very low45.4Very low151 Ų151123.4 Ų123.481%0.80769%0.692SS**  trans-41.3118.4-177-73.7-39.9000114.2
376P42Very low43.3Very low113 Ų113126.4 Ų126.473%0.73471%0.71SS**  trans-92.895.615231.4-19.3000107.2D374D374-P376 WeakPolarHBondContact O-CD 3.47Å
377T35.1Very low41.8Very low119 Ų119127.8 Ų127.873%0.7372%0.724SS**  trans167.386.1147.434.10000110.9
378S34.6Very low40.6Very low130 Ų130123.1 Ų123.191%0.90972%0.722SS**  trans-117.167.7143.566.70000107.5
379S33.6Very low38.9Very low96 Ų96128.2 Ų128.267%0.67176%0.761SS**  trans-153.982.9169.164.60000108.4
380S34Very low38.2Very low109 Ų109130.7 Ų130.776%0.76277%0.771SS**  trans179.1105.1147.535.60000109.2
381S41.5Very low37.7Very low201 Ų201136.5 Ų136.5100%1.40680%0.798SS**  trans179.10131.6-68.90000106.8

Retrieved 381 of 381 residues in 153.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).