A0A3Q0KLL8_SCHMA Loading...

Protein-tyrosine sulfotransferase AlphaSync

Catalyzes the O-sulfation of tyrosine residues within acidic motifs of polypeptides, using 3'-phosphoadenylyl sulfate (PAPS) as cosubstrate.

AlphaFold DB , UniProt , Accession A0A3Q0KLL8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 330 aa.

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

 

Download Structure   AlphaSync Parameters   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
1M39.6Very low55.8Low232 Ų232151.5 Ų151.5100%1.14377%0.772SS**  081.90-161.7173-174.400108.3
2F41.3Very low57.8Low217 Ų217144.3 Ų144.395%0.95274%0.741SS**  trans-97.789.3-179-87.2-86.2000109.2
3Q41.8Very low59.5Low180 Ų180143.6 Ų143.684%0.84173%0.729SS**  trans-14383.8170.2-81.9-172.1-21.600109.5
4C45.2Very low61.2Low131 Ų131141 Ų14189%0.88572%0.717SS**  trans-168.166.8155.4-130.40000111.9
5K50.1Low62.7Low198 Ų198139.1 Ų139.186%0.86171%0.708SS**SBendtrans-132.3-0.6164.5-85-167.5176.8-178.90115
6Q54.2Low64Low183 Ų183136.6 Ų136.686%0.85570%0.696SS**Hα-helixtrans-84.2-14.5178.2-73.9-170-19.100114.7
7G55.2Low65.4Low48 Ų48134.9 Ų134.950%0.49569%0.688SS.*Hα-helixtrans-74.4-33.5-176.900000115.3R11G7-R11 PolarHBondContact O-N 2.82Å
8V63Low66.7Low106 Ų106130.9 Ų130.964%0.64267%0.674SS**Hα-helixtrans-69.4-39.8-176.3-179.40000111.1S10 R11 V12V8-S10 VanDerWaalsContact C-N 3.33Å; V8-S10 PolarHBondContact O-N 3.31Å; V8-R11 PolarHBondContact O-N 2.86Å; V8-V12 HydrophobicContact CG1-CG2 4.31Å; V8-V12 WeakPolarHBondContact O-CG2 3.22Å; V8-V12 PolarHBondContact O-N 3.29Å
9N72.3Confident67.8Low102 Ų102128.2 Ų128.255%0.54567%0.666SS.*Hα-helixtrans-68.7-34-177.8-151-3.7000111.9K13N9-K13 WeakPolarHBondContact O-CB 2.93Å; N9-K13 WeakPolarHBondContact O-CG 3.19Å; N9-K13 PolarHBondContact O-N 3.29Å
10S74.1Confident68.8Low79 Ų79125.8 Ų125.855%0.55266%0.657SS**Hα-helixtrans-66.1-46.6173.4174.20000112V8 V12 K13 L14V8-S10 VanDerWaalsContact C-N 3.33Å; V8-S10 PolarHBondContact O-N 3.31Å; S10-V12 PolarHBondContact O-N 3.43Å; S10-K13 PolarHBondContact O-N 2.96Å; S10-L14 WeakPolarHBondContact O-CB 3.43Å; S10-L14 PolarHBondContact O-N 2.89Å
11R77.3Confident69.8Low190 Ų190122.7 Ų122.772%0.71765%0.645SS**Hα-helixtrans-63.6-41178.7-73.9-174.4175.7-171.6-1.1112.7G7 V8 L14 L15G7-R11 PolarHBondContact O-N 2.82Å; V8-R11 PolarHBondContact O-N 2.86Å; R11-L14 PolarHBondContact O-N 2.77Å; R11-L15 WeakPolarHBondContact O-CB 3.42Å; R11-L15 PolarHBondContact O-N 3.4Å
12V79.3Confident72.2Confident66 Ų66116.4 Ų116.440%0.462%0.616SS.*Hα-helixtrans-65.1-43.4176.2173.40000110.9V8 S10 L14 L15 I16V8-V12 HydrophobicContact CG1-CG2 4.31Å; V8-V12 WeakPolarHBondContact O-CG2 3.22Å; V8-V12 PolarHBondContact O-N 3.29Å; S10-V12 PolarHBondContact O-N 3.43Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 PolarHBondContact O-N 2.89Å; V12-L15 PolarHBondContact O-N 3.33Å; V12-I16 HydrophobicContact CG1-CD1 3.75Å; V12-I16 HydrophobicContact CG1-CG1 4.38Å; V12-I16 VanDerWaalsContact O-CG1 3.27Å; V12-I16 WeakPolarHBondContact O-CG1 3.21Å; V12-I16 PolarHBondContact O-N 2.92Å
13K80.4Confident74.4Confident135 Ų135114.7 Ų114.759%0.58760%0.603SS**Hα-helixtrans-60.1-41.6174.4-75.5176.5-178.2-1710112.2N9 S10 I16 L17N9-K13 WeakPolarHBondContact O-CB 2.93Å; N9-K13 WeakPolarHBondContact O-CG 3.19Å; N9-K13 PolarHBondContact O-N 3.29Å; S10-K13 PolarHBondContact O-N 2.96Å; K13-I16 PolarHBondContact O-N 3.49Å; K13-L17 WeakPolarHBondContact O-CB 3.36Å; K13-L17 PolarHBondContact O-N 3.29Å
14L83.1Confident76.6Confident107 Ų107109.4 Ų109.456%0.5658%0.583SS**Hα-helixtrans-65.5-42.8177.4-170.668.3000111.8S10 R11 V12 L17 C18S10-L14 WeakPolarHBondContact O-CB 3.43Å; S10-L14 PolarHBondContact O-N 2.89Å; R11-L14 PolarHBondContact O-N 2.77Å; V12-L14 VanDerWaalsContact C-N 3.32Å; V12-L14 PolarHBondContact O-N 2.89Å; L14-L17 PolarHBondContact O-N 2.88Å; L14-C18 WeakPolarHBondContact O-CB 3.18Å; L14-C18 PolarHBondContact O-N 2.87Å; L14-C18 PolarHBondContact O-SG 3.33Å; L14-C18 VanDerWaalsContact O-SG 3.33Å
15L82.9Confident78.8Confident112 Ų112109.1 Ų109.159%0.58657%0.572SS**Hα-helixtrans-61.7-45.6175.1-87.5152.4000111.9R11 V12 L17 C18 C19R11-L15 WeakPolarHBondContact O-CB 3.42Å; R11-L15 PolarHBondContact O-N 3.4Å; V12-L15 PolarHBondContact O-N 3.33Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.49Å; L15-C18 PolarHBondContact O-N 3.5Å; L15-C19 WeakPolarHBondContact O-CB 3.33Å; L15-C19 PolarHBondContact O-N 2.93Å; L15-C19 PolarHBondContact O-SG 3.46Å
16I84.6Confident80.6Confident100 Ų100104.3 Ų104.351%0.51356%0.555SS.*Hα-helixtrans-61-45176.3-67.4166.6000110.1V12 K13 C18 C19 V20V12-I16 HydrophobicContact CG1-CD1 3.75Å; V12-I16 HydrophobicContact CG1-CG1 4.38Å; V12-I16 VanDerWaalsContact O-CG1 3.27Å; V12-I16 WeakPolarHBondContact O-CG1 3.21Å; V12-I16 PolarHBondContact O-N 2.92Å; K13-I16 PolarHBondContact O-N 3.49Å; I16-C18 PolarHBondContact O-N 3.48Å; I16-C19 PolarHBondContact O-N 3.23Å; I16-V20 HydrophobicContact CG2-CG2 4.41Å; I16-V20 VanDerWaalsContact O-CG2 3.29Å; I16-V20 WeakPolarHBondContact O-CG2 3.28Å; I16-V20 PolarHBondContact O-N 2.91Å
17L87.9Confident82.2Confident107 Ų10799.1 Ų99.156%0.5653%0.532SS*.Hα-helixtrans-61.6-45178.1-162.376.6000111.4K13 L14 L15 C19 V20 C21K13-L17 WeakPolarHBondContact O-CB 3.36Å; K13-L17 PolarHBondContact O-N 3.29Å; L14-L17 PolarHBondContact O-N 2.88Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.49Å; L17-C19 PolarHBondContact O-N 3.33Å; L17-V20 PolarHBondContact O-N 3.33Å; L17-C21 WeakPolarHBondContact O-CB 3.39Å; L17-C21 PolarHBondContact O-N 3.43Å; L17-C21 PolarHBondContact O-SG 2.93Å
18C87.5Confident83.7Confident64 Ų64100.6 Ų100.643%0.43253%0.532SS..Hα-helixtrans-61.1-44.2175.2-73.90000112L14 L15 I16 V20 C21 I22L14-C18 WeakPolarHBondContact O-CB 3.18Å; L14-C18 PolarHBondContact O-N 2.87Å; L14-C18 PolarHBondContact O-SG 3.33Å; L14-C18 VanDerWaalsContact O-SG 3.33Å; L15-C18 PolarHBondContact O-N 3.5Å; I16-C18 PolarHBondContact O-N 3.48Å; C18-V20 PolarHBondContact O-N 3.3Å; C18-C21 PolarHBondContact O-N 3.35Å; C18-I22 VanDerWaalsContact O-CG1 3.25Å; C18-I22 WeakPolarHBondContact O-CG1 3.29Å; C18-I22 PolarHBondContact O-N 3.3Å
19C87.9Confident84.7Confident78 Ų7897.7 Ų97.753%0.52752%0.516SS..Hα-helixtrans-61.2-44.5176.7-73.20000111.5L15 I16 L17 I22 W23L15-C19 WeakPolarHBondContact O-CB 3.33Å; L15-C19 PolarHBondContact O-N 2.93Å; L15-C19 PolarHBondContact O-SG 3.46Å; I16-C19 PolarHBondContact O-N 3.23Å; L17-C19 PolarHBondContact O-N 3.33Å; C19-I22 PolarHBondContact O-N 3.28Å; C19-W23 WeakPolarHBondContact O-CB 3.43Å; C19-W23 PolarHBondContact O-N 3.06Å
20V88.5Confident85.1Confident80 Ų80100.3 Ų100.349%0.48552%0.523SS..Hα-helixtrans-63.5-42.2176.4173.70000110.9I16 L17 C18 W23 T24I16-V20 HydrophobicContact CG2-CG2 4.41Å; I16-V20 VanDerWaalsContact O-CG2 3.29Å; I16-V20 WeakPolarHBondContact O-CG2 3.28Å; I16-V20 PolarHBondContact O-N 2.91Å; L17-V20 PolarHBondContact O-N 3.33Å; C18-V20 PolarHBondContact O-N 3.3Å; V20-W23 PolarHBondContact O-N 2.94Å; V20-T24 HydrophobicContact CG1-CG2 4.35Å; V20-T24 WeakPolarHBondContact O-CB 3.35Å; V20-T24 VanDerWaalsContact O-CG2 3.28Å; V20-T24 WeakPolarHBondContact O-CG2 3.27Å; V20-T24 PolarHBondContact O-N 3.01Å; V20-T24 PolarHBondContact O-OG1 3.43Å
21C88.7Confident85.3Confident61 Ų61101.2 Ų101.241%0.41252%0.521SS..Hα-helixtrans-62.5-43.4175.7-71.70000112.2L17 C18 T24 L25L17-C21 WeakPolarHBondContact O-CB 3.39Å; L17-C21 PolarHBondContact O-N 3.43Å; L17-C21 PolarHBondContact O-SG 2.93Å; C18-C21 PolarHBondContact O-N 3.35Å; C21-T24 WeakPolarHBondContact CA-OG1 3.45Å; C21-T24 PolarHBondContact O-OG1 3.25Å; C21-L25 WeakPolarHBondContact O-CB 3.37Å; C21-L25 PolarHBondContact O-N 3.16Å
22I90.1Very high85.4Confident101 Ų10197 Ų9752%0.51851%0.511SS..Hα-helixtrans-66.1-43.7177.6-67.5163.8000110.4C18 C19 L25 L26C18-I22 VanDerWaalsContact O-CG1 3.25Å; C18-I22 WeakPolarHBondContact O-CG1 3.29Å; C18-I22 PolarHBondContact O-N 3.3Å; C19-I22 PolarHBondContact O-N 3.28Å; I22-L25 WeakPolarHBondContact O-CB 3.49Å; I22-L25 PolarHBondContact O-N 2.89Å; I22-L26 HydrophobicContact CG2-CD1 4.08Å; I22-L26 HydrophobicContact CG2-CG 4.47Å; I22-L26 WeakPolarHBondContact O-CG 3.41Å; I22-L26 PolarHBondContact O-N 3.07Å
23W88.3Confident84.9Confident181 Ų18199.5 Ų99.569%0.68652%0.521SS*.Hα-helixtrans-66.5-40.5-179-138.771.5000112C19 V20 L26 I27C19-W23 WeakPolarHBondContact O-CB 3.43Å; C19-W23 PolarHBondContact O-N 3.06Å; V20-W23 PolarHBondContact O-N 2.94Å; W23-L26 PolarHBondContact O-N 3.46Å; W23-I27 HydrophobicContact CD2-CD1 4.18Å; W23-I27 HydrophobicContact CE3-CD1 3.36Å; W23-I27 HydrophobicContact CE3-CG1 4.39Å; W23-I27 HydrophobicContact CH2-CD1 4.27Å; W23-I27 HydrophobicContact CZ3-CD1 3.43Å; W23-I27 VanDerWaalsContact CZ3-CD1 3.43Å; W23-I27 WeakPolarHBondContact O-CG1 3.19Å; W23-I27 PolarHBondContact O-N 3.28Å
24T89Confident84.4Confident69 Ų69101.1 Ų101.142%0.42353%0.531SS..Hα-helixtrans-65.1-41.1173.4490000111.6V20 C21 L26 I27 V28V20-T24 HydrophobicContact CG1-CG2 4.35Å; V20-T24 WeakPolarHBondContact O-CB 3.35Å; V20-T24 VanDerWaalsContact O-CG2 3.28Å; V20-T24 WeakPolarHBondContact O-CG2 3.27Å; V20-T24 PolarHBondContact O-N 3.01Å; V20-T24 PolarHBondContact O-OG1 3.43Å; C21-T24 WeakPolarHBondContact CA-OG1 3.45Å; C21-T24 PolarHBondContact O-OG1 3.25Å; T24-L26 VanDerWaalsContact C-N 3.34Å; T24-L26 PolarHBondContact O-N 3.33Å; T24-I27 PolarHBondContact O-N 3.24Å; T24-V28 WeakPolarHBondContact O-CB 3.17Å; T24-V28 WeakPolarHBondContact O-CG2 3.48Å; T24-V28 PolarHBondContact O-N 2.64Å
25L89.5Confident83.2Confident124 Ų124101.6 Ų101.665%0.64953%0.534SS*.Hα-helixtrans-59.6-41.2172.8-107.6132.6000112.6C21 I22 S29C21-L25 WeakPolarHBondContact O-CB 3.37Å; C21-L25 PolarHBondContact O-N 3.16Å; I22-L25 WeakPolarHBondContact O-CB 3.49Å; I22-L25 PolarHBondContact O-N 2.89Å; L25-S29 VanDerWaalsContact O-CB 3.32Å; L25-S29 WeakPolarHBondContact O-CB 3.17Å; L25-S29 PolarHBondContact O-N 2.79Å; L25-S29 PolarHBondContact O-OG 2.6Å
26L89.2Confident81.8Confident98 Ų98102.7 Ų102.751%0.51354%0.536SS..Hα-helixtrans-69.5-35.7177.8-71.2172.3000112.8I22 W23 T24 S29 K30I22-L26 HydrophobicContact CG2-CD1 4.08Å; I22-L26 HydrophobicContact CG2-CG 4.47Å; I22-L26 WeakPolarHBondContact O-CG 3.41Å; I22-L26 PolarHBondContact O-N 3.07Å; W23-L26 PolarHBondContact O-N 3.46Å; T24-L26 VanDerWaalsContact C-N 3.34Å; T24-L26 PolarHBondContact O-N 3.33Å; L26-S29 PolarHBondContact O-OG 3.27Å; L26-K30 WeakPolarHBondContact O-CB 3.24Å; L26-K30 PolarHBondContact O-N 2.73Å; L26-K30 VanDerWaalsContact O-N 3.08Å
27I88.2Confident80.1Confident73 Ų73102.9 Ų102.937%0.37454%0.544SS..Hα-helixtrans-69.1-46.5174.7-72.9170.4000110.3W23 T24 S29 K30 L31W23-I27 HydrophobicContact CD2-CD1 4.18Å; W23-I27 HydrophobicContact CE3-CD1 3.36Å; W23-I27 HydrophobicContact CE3-CG1 4.39Å; W23-I27 HydrophobicContact CH2-CD1 4.27Å; W23-I27 HydrophobicContact CZ3-CD1 3.43Å; W23-I27 VanDerWaalsContact CZ3-CD1 3.43Å; W23-I27 WeakPolarHBondContact O-CG1 3.19Å; W23-I27 PolarHBondContact O-N 3.28Å; T24-I27 PolarHBondContact O-N 3.24Å; I27-S29 VanDerWaalsContact C-N 3.34Å; I27-S29 PolarHBondContact O-N 2.92Å; I27-K30 PolarHBondContact O-N 2.81Å; I27-L31 HydrophobicContact CG2-CD1 3.73Å; I27-L31 WeakPolarHBondContact O-CB 3.06Å; I27-L31 PolarHBondContact O-N 2.62Å
28V86.3Confident78.2Confident79 Ų79105.6 Ų105.648%0.47955%0.553SS.*Hα-helixtrans-63.1-41.5178171.80000110.4T24 L31 I32T24-V28 WeakPolarHBondContact O-CB 3.17Å; T24-V28 WeakPolarHBondContact O-CG2 3.48Å; T24-V28 PolarHBondContact O-N 2.64Å; V28-L31 PolarHBondContact O-N 2.9Å; V28-I32 HydrophobicContact CG1-CD1 3.63Å; V28-I32 HydrophobicContact CG1-CG1 4.27Å; V28-I32 WeakPolarHBondContact O-CB 3.45Å; V28-I32 WeakPolarHBondContact O-CG1 3.48Å; V28-I32 PolarHBondContact O-N 2.79Å
29S83.7Confident76.3Confident45 Ų45109.8 Ų109.832%0.31557%0.571SS.*Hα-helixtrans-65.3-41.7176.872.20000112.3L25 L26 I27 I32 I33L25-S29 VanDerWaalsContact O-CB 3.32Å; L25-S29 WeakPolarHBondContact O-CB 3.17Å; L25-S29 PolarHBondContact O-N 2.79Å; L25-S29 PolarHBondContact O-OG 2.6Å; L26-S29 PolarHBondContact O-OG 3.27Å; I27-S29 VanDerWaalsContact C-N 3.34Å; I27-S29 PolarHBondContact O-N 2.92Å; S29-I32 PolarHBondContact O-N 2.75Å; S29-I33 WeakPolarHBondContact O-CB 3.19Å; S29-I33 WeakPolarHBondContact O-CD1 3.07Å; S29-I33 WeakPolarHBondContact O-CG1 3.44Å; S29-I33 PolarHBondContact O-N 2.73Å
30K80.6Confident74.1Confident158 Ų158113.4 Ų113.469%0.68758%0.582SS**Hα-helixtrans-63.7-41173.7-82.5-172.2176-173.60112.5L26 I27 I33 H34L26-K30 WeakPolarHBondContact O-CB 3.24Å; L26-K30 PolarHBondContact O-N 2.73Å; L26-K30 VanDerWaalsContact O-N 3.08Å; I27-K30 PolarHBondContact O-N 2.81Å; K30-I33 PolarHBondContact O-N 3.11Å; K30-H34 VanDerWaalsContact O-CB 3.24Å; K30-H34 WeakPolarHBondContact O-CB 3.32Å; K30-H34 PolarHBondContact O-N 2.85Å
31L79.1Confident72.1Confident98 Ų98116.6 Ų116.651%0.51359%0.591SS.*Hα-helixtrans-64.2-41.2174.6-90.7151.3000111.5I27 V28 N35I27-L31 HydrophobicContact CG2-CD1 3.73Å; I27-L31 WeakPolarHBondContact O-CB 3.06Å; I27-L31 PolarHBondContact O-N 2.62Å; V28-L31 PolarHBondContact O-N 2.9Å; L31-N35 WeakPolarHBondContact O-CB 3.37Å; L31-N35 PolarHBondContact O-N 3.35Å
32I78Confident70Confident100 Ų100123 Ų12351%0.51361%0.612SS.*Hα-helixtrans-64.3-45.2175.7-69.8165.4000110.4V28 S29 N35 Q36V28-I32 HydrophobicContact CG1-CD1 3.63Å; V28-I32 HydrophobicContact CG1-CG1 4.27Å; V28-I32 WeakPolarHBondContact O-CB 3.45Å; V28-I32 WeakPolarHBondContact O-CG1 3.48Å; V28-I32 PolarHBondContact O-N 2.79Å; S29-I32 PolarHBondContact O-N 2.75Å; I32-N35 CarbonylContact O-C 3.56Å; I32-Q36 WeakPolarHBondContact O-CG 3.32Å; I32-Q36 PolarHBondContact O-N 2.93Å
33I70.4Confident68Low119 Ų119125.5 Ų125.561%0.6162%0.623SS**Hα-helixtrans-66.9-43179.9-66162.7000111S29 K30 Q36S29-I33 WeakPolarHBondContact O-CB 3.19Å; S29-I33 WeakPolarHBondContact O-CD1 3.07Å; S29-I33 WeakPolarHBondContact O-CG1 3.44Å; S29-I33 PolarHBondContact O-N 2.73Å; K30-I33 PolarHBondContact O-N 3.11Å; I33-Q36 PolarHBondContact O-N 2.85Å
34H68.5Low66Low170 Ų170125.2 Ų125.279%0.78763%0.63SS**Hα-helixtrans-76.4-28.6-178.1-156.553.2000112.9K30K30-H34 VanDerWaalsContact O-CB 3.24Å; K30-H34 WeakPolarHBondContact O-CB 3.32Å; K30-H34 PolarHBondContact O-N 2.85Å
35N58.2Low64.1Low117 Ų117127.4 Ų127.463%0.62664%0.643SS**THydrogen-bonded Turntrans-96.820.2170.6-72-10.7000112.7L31 I32 P37L31-N35 WeakPolarHBondContact O-CB 3.37Å; L31-N35 PolarHBondContact O-N 3.35Å; I32-N35 CarbonylContact O-C 3.56Å; N35-P37 WeakPolarHBondContact O-CD 3.48Å
36Q54.8Low62.2Low135 Ų135126.2 Ų126.263%0.63164%0.642SS**SBendtrans-73.1104.7154.8-65.4-147.3-76.200104.7I32 I33 E38I32-Q36 WeakPolarHBondContact O-CG 3.32Å; I32-Q36 PolarHBondContact O-N 2.93Å; I33-Q36 PolarHBondContact O-N 2.85Å; Q36-E38 PolarHBondContact O-N 3.42Å; Q36-E38 VanDerWaalsContact O-N 3.11Å
37P48.7Very low60.3Low104 Ų104129.3 Ų129.368%0.67565%0.652SS**  trans-51.6130.1163.525.1-32.6000104.9N35 L39N35-P37 WeakPolarHBondContact O-CD 3.48Å; P37-L39 VanDerWaalsContact C-N 3.28Å; P37-L39 PolarHBondContact O-N 2.86Å
38E48.1Very low58.8Low163 Ų163133.2 Ų133.276%0.76267%0.673SS**  trans-46.2109.7166.1-77.6-177.4158.200105.4Q36 M40Q36-E38 PolarHBondContact O-N 3.42Å; Q36-E38 VanDerWaalsContact O-N 3.11Å; E38-M40 HydrophobicContact CB-CG 4.18Å; E38-M40 PolarHBondContact O-N 2.89Å
39L45.8Very low57.2Low153 Ų153137.9 Ų137.980%0.80169%0.687SS**  trans-72.253.7165.2-118.5145.5000105.4P37 Q41P37-L39 VanDerWaalsContact C-N 3.28Å; P37-L39 PolarHBondContact O-N 2.86Å; L39-Q41 HydrophobicContact CD2-CB 4.37Å; L39-Q41 PolarHBondContact O-N 3.33Å
40M42.4Very low55.8Low154 Ų154141 Ų14176%0.75970%0.704SS**  trans-59.473.5135.8-68.8-159.477.600105E38 K42E38-M40 HydrophobicContact CB-CG 4.18Å; E38-M40 PolarHBondContact O-N 2.89Å; M40-K42 VanDerWaalsContact C-N 3.32Å; M40-K42 PolarHBondContact O-N 3.33Å
41Q47.5Very low54.7Low146 Ų146138.6 Ų138.668%0.68270%0.699SS**  trans-40.5115.3148.1-163.9172.29.300102.9L39 M43L39-Q41 HydrophobicContact CD2-CB 4.37Å; L39-Q41 PolarHBondContact O-N 3.33Å; Q41-M43 PolarHBondContact O-N 3.08Å
42K43.1Very low53.8Low195 Ų195138.5 Ų138.585%0.84870%0.698SS**  trans-51.793.1157.5-95.6177.8172.2176.50102.7M40 E44M40-K42 VanDerWaalsContact C-N 3.32Å; M40-K42 PolarHBondContact O-N 3.33Å; K42-E44 PolarHBondContact O-N 3.03Å
43M48.3Very low53.9Low154 Ų154137.5 Ų137.576%0.75969%0.694SS**  trans-57100.4153-78.117865.500100.2Q41 V45Q41-M43 PolarHBondContact O-N 3.08Å; M43-V45 PolarHBondContact O-N 3.3Å
44E46.7Very low54.7Low175 Ų175132.7 Ų132.782%0.81867%0.671SS**  trans-50.198.7151.4-77.9-175.2147.200102.7K42 P46K42-E44 PolarHBondContact O-N 3.03Å; E44-P46 VanDerWaalsContact C-N 3.28Å; E44-P46 WeakPolarHBondContact O-CD 3.34Å
45V50.1Low55.9Low115 Ų115126.7 Ų126.770%0.69764%0.642SS**  trans-51.3110.9162.4177.40000101M43 K47M43-V45 PolarHBondContact O-N 3.3Å; V45-K47 PolarHBondContact O-N 3.49Å
46P49.2Very low57.6Low99 Ų99124 Ų12464%0.64363%0.627SS**  trans-51.4124.8177.6-21.432000103.4E44 L48E44-P46 VanDerWaalsContact C-N 3.28Å; E44-P46 WeakPolarHBondContact O-CD 3.34Å; P46-L48 VanDerWaalsContact C-N 3.31Å; P46-L48 PolarHBondContact O-N 2.85Å
47K49.5Very low59.5Low163 Ų163119.2 Ų119.271%0.70961%0.605SS**  trans-46115163.6-81.9-177.9179178.80103.2V45 F49V45-K47 PolarHBondContact O-N 3.49Å; K47-F49 HydrophobicContact CB-CD2 3.82Å; K47-F49 HydrophobicContact CB-CE2 3.52Å; K47-F49 HydrophobicContact CB-CZ 4.04Å; K47-F49 HydrophobicContact CD-CE2 4.14Å; K47-F49 HydrophobicContact CD-CZ 3.94Å; K47-F49 HydrophobicContact CG-CE2 4.44Å; K47-F49 WeakPolarHBondContact O-CD2 3.25Å; K47-F49 PolarHBondContact O-N 2.97Å
48L55.1Low61.8Low156 Ų156117 Ų11782%0.81759%0.592SS**  trans-66.483-179.2-117.1101.4000104.4P46 V50P46-L48 VanDerWaalsContact C-N 3.31Å; P46-L48 PolarHBondContact O-N 2.85Å; L48-V50 PolarHBondContact O-N 2.93Å
49F53.3Low64.2Low176 Ų176109.4 Ų109.477%0.77256%0.556SS**  trans-69.2108.1172.6-76.6-77.2000104.2K47 D51K47-F49 HydrophobicContact CB-CD2 3.82Å; K47-F49 HydrophobicContact CB-CE2 3.52Å; K47-F49 HydrophobicContact CB-CZ 4.04Å; K47-F49 HydrophobicContact CD-CE2 4.14Å; K47-F49 HydrophobicContact CD-CZ 3.94Å; K47-F49 HydrophobicContact CG-CE2 4.44Å; K47-F49 WeakPolarHBondContact O-CD2 3.25Å; K47-F49 PolarHBondContact O-N 2.97Å; F49-D51 PolarHBondContact O-N 3.32Å
50V54.3Low66.7Low111 Ų111102.1 Ų102.167%0.67352%0.518SS*.  trans-67.7118.1174.11800000106L48 D52L48-V50 PolarHBondContact O-N 2.93Å; V50-D52 VanDerWaalsContact C-N 3.32Å; V50-D52 PolarHBondContact O-N 2.9Å
51D57.7Low69.4Low108 Ų10894.9 Ų94.958%0.57848%0.482SS*.  trans-59.798.2167.4-175.111.9000108F49 D53F49-D51 PolarHBondContact O-N 3.32Å; D51-D53 PolarHBondContact O-N 3.36Å; D51-D53 VanDerWaalsContact O-N 3.16Å
52D60.8Low71.8Confident95 Ų9588 Ų8851%0.50845%0.45SS..THydrogen-bonded Turntrans-72.5-1-174.2-159.128.5000112.3V50 K121V50-D52 VanDerWaalsContact C-N 3.32Å; V50-D52 PolarHBondContact O-N 2.9Å; D52-K121 WeakPolarHBondContact OD1-CE 3.44Å; D52-K121 IonicContact OD1-NZ 3.58Å; D52-K121 PolarHBondContact OD1-NZ 3.39Å; D52-K121 IonicContact OD2-NZ 3.19Å
53D79.9Confident74.4Confident80 Ų8078.7 Ų78.743%0.42841%0.409SS..THydrogen-bonded Turntrans-92.3-6.7-169.8-156.738.9000114.5D51 R55 N56 L57D51-D53 PolarHBondContact O-N 3.36Å; D51-D53 VanDerWaalsContact O-N 3.16Å; D53-R55 PolarHBondContact O-N 2.87Å; D53-R55 VanDerWaalsContact O-N 3.1Å; D53-N56 WeakPolarHBondContact O-CB 3.34Å; D53-N56 PolarHBondContact O-N 3.3Å; D53-N56 WeakPolarHBondContact OD1-CB 3.38Å; D53-N56 PolarHBondContact OD1-ND2 3.38Å; D53-L57 PolarHBondContact O-N 3.13Å
54S86.8Confident76.8Confident17 Ų1771.4 Ų71.412%0.11937%0.374CS..G310 helixtrans-55-36.7-17662.50000113.8N56 L57S54-N56 VanDerWaalsContact C-N 3.3Å; S54-N56 PolarHBondContact O-N 2.88Å; S54-L57 WeakPolarHBondContact O-CG 3.47Å
55R93.8Very high79.2Confident45 Ų4563.5 Ų63.517%0.1734%0.337CS..G310 helixtrans-72.2-21.9178.6-68-176.965.1-174.92.7113.8D53 N117 D120 S124 E157 L158 P160D53-R55 PolarHBondContact O-N 2.87Å; D53-R55 VanDerWaalsContact O-N 3.1Å; R55-N117 PolarHBondContact NH1-OD1 3.3Å; R55-D120 IonicContact NH2-OD2 3.59Å; R55-S124 WeakPolarHBondContact CG-OG 3.49Å; R55-E157 PolarHBondContact NH2-O 3.15Å; R55-L158 WeakPolarHBondContact CB-O 3.33Å; R55-L158 WeakPolarHBondContact CG-O 3.48Å; R55-L158 PolarHBondContact NE-O 2.86Å; R55-P160 WeakPolarHBondContact O-CD 3.12Å
56N94.1Very high81.4Confident59 Ų5960 Ų6032%0.31631%0.313SS..G310 helixtrans-93.81.6-177.5-73.7-35.9000112.9D53 S54 K161D53-N56 WeakPolarHBondContact O-CB 3.34Å; D53-N56 PolarHBondContact O-N 3.3Å; D53-N56 WeakPolarHBondContact OD1-CB 3.38Å; D53-N56 PolarHBondContact OD1-ND2 3.38Å; S54-N56 VanDerWaalsContact C-N 3.3Å; S54-N56 PolarHBondContact O-N 2.88Å; N56-K161 HydrophobicContact CB-CD 3.9Å; N56-K161 WeakPolarHBondContact O-CB 3.12Å; N56-K161 WeakPolarHBondContact O-CD 3.23Å
57L94.7Very high83.6Confident35 Ų3555.9 Ų55.918%0.18329%0.287CS..SBendtrans-61.5138.7176.2-69174.1000110.8D53 S54 L59 V128D53-L57 PolarHBondContact O-N 3.13Å; S54-L57 WeakPolarHBondContact O-CG 3.47Å; L57-L59 HydrophobicContact CB-CD2 4Å; L57-L59 HydrophobicContact CB-CG 3.92Å; L57-L59 PolarHBondContact O-N 2.65Å; L57-V128 HydrophobicContact CD1-CB 4.36Å; L57-V128 HydrophobicContact CD1-CG1 3.46Å; L57-V128 VanDerWaalsContact CD1-CG1 3.46Å; L57-V128 HydrophobicContact CD1-CG2 3.89Å
58P96Very high85.9Confident59 Ų5948.2 Ų48.238%0.38325%0.253SS..  trans-77.654.9179.534.1-37000111.5R140P58-R140 WeakPolarHBondContact O-CG 3.4Å; P58-R140 PolarHBondContact O-NE 2.79Å
59L98.3Very high87.9Confident3 Ų341.4 Ų41.42%0.01622%0.221CC..  trans-63.7152.8-177-59.1179.5000111.8L57 F61 V128 L131 L141 F159 A162 K163L57-L59 HydrophobicContact CB-CD2 4Å; L57-L59 HydrophobicContact CB-CG 3.92Å; L57-L59 PolarHBondContact O-N 2.65Å; L59-F61 HydrophobicContact CB-CD2 4.21Å; L59-F61 HydrophobicContact CB-CE2 3.66Å; L59-F61 HydrophobicContact CB-CZ 4.36Å; L59-F61 HydrophobicContact CD1-CE2 3.84Å; L59-F61 HydrophobicContact CD1-CZ 3.82Å; L59-F61 HydrophobicContact CG-CE2 4.41Å; L59-V128 HydrophobicContact CD1-CG2 4.23Å; L59-L131 HydrophobicContact CD1-CD1 4.15Å; L59-L131 HydrophobicContact CD2-CD1 4.37Å; L59-L141 WeakPolarHBondContact CA-O 3.21Å; L59-L141 HydrophobicContact CD2-CB 3.78Å; L59-F159 HydrophobicContact CD1-CD1 3.66Å; L59-F159 HydrophobicContact CD1-CE1 3.67Å; L59-F159 HydrophobicContact CD1-CG 4.13Å; L59-F159 HydrophobicContact CD1-CZ 4.14Å; L59-A162 HydrophobicContact CB-CB 4.1Å; L59-A162 CarbonylContact O-C 3.52Å; L59-A162 VanDerWaalsContact O-CA 3.24Å; L59-A162 WeakPolarHBondContact O-CA 3.28Å; L59-A162 WeakPolarHBondContact O-CB 3.31Å; L59-K163 PolarHBondContact O-N 3.24Å
60I98.8Very high90Very high0 Ų033.4 Ų33.40%019%0.187CC..EExtended strand (participates in β ladder)trans-108.7126.1168.8-55.1167.1000107.7I62 L77 V83 R140 L141 C142 H143 K163 I165 L241 I243I60-I62 HydrophobicContact CG2-CG1 4.15Å; I60-L77 HydrophobicContact CG2-CD1 4.32Å; I60-V83 HydrophobicContact CD1-CG1 4.03Å; I60-V83 HydrophobicContact CD1-CG2 4.27Å; I60-R140 HydrophobicContact CD1-CG 3.71Å; I60-R140 HydrophobicContact CG1-CG 3.92Å; I60-L141 PolarHBondContact N-O 3.15Å; I60-C142 HydrophobicContact CB-CB 3.98Å; I60-C142 HydrophobicContact CD1-CB 4.48Å; I60-C142 CarbonylContact O-C 3.59Å; I60-C142 VanDerWaalsContact O-CA 3.25Å; I60-C142 WeakPolarHBondContact O-CA 3.48Å; I60-H143 PolarHBondContact O-N 3.18Å; I60-K163 CarbonylContact C-O 3.48Å; I60-K163 WeakPolarHBondContact CA-O 3.42Å; I60-I165 HydrophobicContact CG2-CD1 4.26Å; I60-L241 HydrophobicContact CD1-CD1 3.86Å; I60-L241 HydrophobicContact CD1-CD2 4.26Å; I60-L241 HydrophobicContact CG1-CD1 4.48Å; I60-L241 HydrophobicContact CG1-CD2 4Å; I60-L241 HydrophobicContact CG2-CD1 4.43Å; I60-L241 HydrophobicContact CG2-CD2 4.06Å; I60-I243 HydrophobicContact CD1-CD1 3.97Å
61F98.8Very high92Very high1 Ų128.3 Ų28.30%0.00416%0.157CC..EExtended strand (participates in β ladder)trans-112.3123.6172-72-91.4000110.2L59 H143 Y149 L155 F159 A162 K163 F164 I165L59-F61 HydrophobicContact CB-CD2 4.21Å; L59-F61 HydrophobicContact CB-CE2 3.66Å; L59-F61 HydrophobicContact CB-CZ 4.36Å; L59-F61 HydrophobicContact CD1-CE2 3.84Å; L59-F61 HydrophobicContact CD1-CZ 3.82Å; L59-F61 HydrophobicContact CG-CE2 4.41Å; F61-H143 CarbonylContact C-O 3.19Å; F61-H143 WeakPolarHBondContact CA-O 3.48Å; F61-H143 HydrophobicContact CD1-CB 3.58Å; F61-H143 AromaticContact CD1-CG 3.54Å; F61-H143 AromaticContact CD1-ND1 3.55Å; F61-H143 HydrophobicContact CE1-CB 3.67Å; F61-H143 AromaticContact CE1-CD2 3.75Å; F61-H143 AromaticContact CE1-CG 3.52Å; F61-H143 AromaticContact CE1-ND1 3.89Å; F61-H143 HydrophobicContact CG-CB 4.31Å; F61-H143 HydrophobicContact CZ-CB 4.48Å; F61-Y149 HydrophobicContact CB-CE2 4.24Å; F61-L155 HydrophobicContact CD1-CD1 3.99Å; F61-L155 HydrophobicContact CD1-CD2 4.16Å; F61-L155 HydrophobicContact CE1-CD1 4.35Å; F61-L155 HydrophobicContact CE1-CD2 3.66Å; F61-L155 HydrophobicContact CZ-CD2 4.04Å; F61-F159 HydrophobicContact CE2-CB 4.27Å; F61-F159 AromaticContact CE2-CD2 3.77Å; F61-F159 HydrophobicContact CE2-CD2 3.77Å; F61-F159 HydrophobicContact CE2-CE2 4.35Å; F61-F159 HydrophobicContact CE2-CG 4.06Å; F61-F159 AromaticContact CZ-CD2 3.57Å; F61-F159 HydrophobicContact CZ-CD2 3.57Å; F61-F159 AromaticContact CZ-CE2 3.7Å; F61-F159 HydrophobicContact CZ-CE2 3.7Å; F61-F159 HydrophobicContact CZ-CG 4.21Å; F61-F159 HydrophobicContact CZ-CZ 4.43Å; F61-A162 HydrophobicContact CD2-CB 3.85Å; F61-A162 HydrophobicContact CE2-CB 3.81Å; F61-K163 PolarHBondContact N-O 3.13Å; F61-F164 HydrophobicContact CB-CD1 3.5Å; F61-F164 HydrophobicContact CB-CE1 3.72Å; F61-F164 HydrophobicContact CB-CG 4.49Å; F61-F164 HydrophobicContact CD2-CD1 4.15Å; F61-F164 AromaticContact CD2-CE1 3.55Å; F61-F164 HydrophobicContact CD2-CE1 3.55Å; F61-F164 HydrophobicContact CD2-CZ 4.07Å; F61-F164 HydrophobicContact CE2-CE1 4.34Å; F61-F164 HydrophobicContact CG-CD1 4.09Å; F61-F164 AromaticContact CG-CE1 3.76Å; F61-F164 HydrophobicContact CG-CE1 3.76Å; F61-F164 CarbonylContact O-C 3.46Å; F61-F164 WeakPolarHBondContact O-CA 3.46Å; F61-I165 PolarHBondContact O-N 3.31Å
62I98.7Very high93.9Very high1 Ų124.6 Ų24.61%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-111.2128.5177.1-52.6173000108.3I60 T70 L73 L77 C142 H143 K144 D145 I165I60-I62 HydrophobicContact CG2-CG1 4.15Å; I62-T70 HydrophobicContact CG2-CG2 4.48Å; I62-L73 HydrophobicContact CD1-CB 4.22Å; I62-L73 HydrophobicContact CG2-CB 3.87Å; I62-L73 HydrophobicContact CG2-CD1 4.14Å; I62-L77 HydrophobicContact CD1-CD1 3.83Å; I62-C142 VanDerWaalsContact CD1-SG 3.55Å; I62-H143 PolarHBondContact N-O 3.48Å; I62-K144 HydrophobicContact CB-CB 4.01Å; I62-K144 HydrophobicContact CB-CG 3.9Å; I62-K144 HydrophobicContact CG2-CG 4.02Å; I62-K144 WeakPolarHBondContact O-CA 3.29Å; I62-D145 PolarHBondContact O-N 3.45Å; I62-I165 WeakPolarHBondContact CA-O 3.09Å; I62-I165 HydrophobicContact CG1-CB 4.39Å; I62-I165 HydrophobicContact CG1-CD1 4.48Å
63G98.2Very high95.7Very high0 Ų020.3 Ų20.30%011%0.114CC..EExtended strand (participates in β ladder)trans-164.7-163.4172.800000112.1Y149 I165 A167G63-Y149 VanDerWaalsContact CA-CD2 3.44Å; G63-Y149 VanDerWaalsContact CA-CG 3.48Å; G63-I165 PolarHBondContact N-O 3.22Å; G63-A167 PolarHBondContact O-N 3.28Å
64G97.7Very high96.5Very high1 Ų116.5 Ų16.51%0.019%0.093CC..EExtended strand (participates in β ladder)trans138.3-179.4-166.700000109.9P146G64-P146 WeakPolarHBondContact O-CB 3.43Å
65H97.6Very high97Very high9 Ų915.8 Ų15.84%0.0429%0.088CC..SBendtrans-61.6146.6173.9-176.6-89.7000110.5S68 Y187 W199H65-S68 WeakPolarHBondContact O-CB 3.42Å; H65-S68 PolarHBondContact O-N 2.91Å; H65-S68 PolarHBondContact O-OG 3.22Å; H65-Y187 AromaticContact CE1-CE2 3.74Å; H65-Y187 AromaticContact NE2-CE2 3.55Å; H65-Y187 AromaticContact NE2-CZ 3.69Å; H65-Y187 PolarHBondContact NE2-OH 3.1Å; H65-W199 AromaticContact CD2-CD1 3.94Å; H65-W199 AromaticContact CE1-CD1 3.88Å; H65-W199 AromaticContact CG-CD1 3.56Å; H65-W199 AromaticContact ND1-CD1 3.54Å
66Q95.4Very high97.2Very high41 Ų4113.9 Ų13.919%0.1928%0.081CC..THydrogen-bonded Turntrans-47.9145.2169.755.3-169.2-0.700112.5S68 T178 I183 N184Q66-S68 PolarHBondContact O-N 2.87Å; Q66-T178 HydrophobicContact CG-CG2 4.2Å; Q66-I183 HydrophobicContact CB-CG2 4.21Å; Q66-N184 VanDerWaalsContact NE2-CB 3.26Å; Q66-N184 PolarHBondContact NE2-ND2 3.15Å; Q66-N184 VanDerWaalsContact NE2-ND2 3.17Å
67S96.4Very high97.4Very high14 Ų1411.2 Ų11.210%0.0987%0.067CC..THydrogen-bonded Turntrans64.316.6-178.3-51.30000116.4R169 A174 T178 I183S67-R169 WeakPolarHBondContact O-CD 3.46Å; S67-R169 PolarHBondContact O-NH1 3.02Å; S67-R169 VanDerWaalsContact O-NH1 3.09Å; S67-A174 WeakPolarHBondContact CB-O 3.07Å; S67-T178 WeakPolarHBondContact CB-OG1 3.44Å; S67-T178 PolarHBondContact OG-OG1 2.82Å; S67-I183 WeakPolarHBondContact OG-CD1 3.14Å
68S97.5Very high97.5Very high1 Ų110 Ų101%0.0076%0.061CC..SBendtrans-91.46.2176.363.10000115.3H65 Q66 A167 Y223H65-S68 WeakPolarHBondContact O-CB 3.42Å; H65-S68 PolarHBondContact O-N 2.91Å; H65-S68 PolarHBondContact O-OG 3.22Å; Q66-S68 PolarHBondContact O-N 2.87Å; S68-A167 WeakPolarHBondContact CB-O 3.4Å; S68-A167 PolarHBondContact OG-O 3.48Å; S68-Y223 WeakPolarHBondContact O-CB 3.48Å
69G96.8Very high97.5Very high13 Ų137.2 Ų7.213%0.1344%0.043CC..SBendtrans95.28.3-179.500000115.7G71 L72 L73G69-G71 PolarHBondContact O-N 3.19Å; G69-L72 WeakPolarHBondContact O-CB 3.24Å; G69-L72 PolarHBondContact O-N 3.32Å; G69-L73 PolarHBondContact O-N 2.98Å
70T97.5Very high97.5Very high9 Ų97.4 Ų7.46%0.0554%0.043CC..Hα-helixtrans-53.7-38174.355.70000113.3I62 L73 R74 P146 A167I62-T70 HydrophobicContact CG2-CG2 4.48Å; T70-L73 PolarHBondContact O-N 2.63Å; T70-R74 WeakPolarHBondContact O-CB 3.46Å; T70-R74 PolarHBondContact O-N 3.14Å; T70-P146 HydrophobicContact CG2-CG 4.22Å; T70-P146 WeakPolarHBondContact OG1-CG 3.47Å; T70-A167 HydrophobicContact CG2-CB 3.69Å
71G96.6Very high97.4Very high4 Ų411.4 Ų11.44%0.0417%0.069CC..Hα-helixtrans-64.9-37.6175.500000113.4G69 R74 I75 F272G69-G71 PolarHBondContact O-N 3.19Å; G71-R74 WeakPolarHBondContact O-CB 3.26Å; G71-I75 PolarHBondContact O-N 2.86Å; G71-I75 VanDerWaalsContact O-N 3.09Å; G71-F272 VanDerWaalsContact O-CE1 3.32Å; G71-F272 WeakPolarHBondContact O-CE1 3.4Å
72L97.6Very high97.4Very high30 Ų3014.3 Ų14.316%0.1578%0.084CC..Hα-helixtrans-68.3-46.2175.7176.259.9000110.6G69 R74 I75 L76 Y223 L226 V227 V276G69-L72 WeakPolarHBondContact O-CB 3.24Å; G69-L72 PolarHBondContact O-N 3.32Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 2.8Å; L72-I75 HydrophobicContact CD1-CG2 4.28Å; L72-I75 WeakPolarHBondContact O-CG2 3.22Å; L72-I75 PolarHBondContact O-N 2.65Å; L72-L76 HydrophobicContact CD1-CD1 3.91Å; L72-L76 HydrophobicContact CD1-CD2 4.34Å; L72-L76 HydrophobicContact CD1-CG 3.88Å; L72-L76 HydrophobicContact CG-CD1 3.83Å; L72-L76 HydrophobicContact CG-CG 4.26Å; L72-L76 WeakPolarHBondContact O-CB 3.16Å; L72-L76 VanDerWaalsContact O-CG 3.23Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 2.89Å; L72-Y223 HydrophobicContact CD2-CE2 4.34Å; L72-L226 HydrophobicContact CD2-CD2 3.86Å; L72-L226 HydrophobicContact CD2-CG 4.19Å; L72-L226 HydrophobicContact CG-CD2 4.13Å; L72-V227 HydrophobicContact CD2-CG1 3.81Å; L72-V276 HydrophobicContact CD1-CG2 4.13Å
73L98.3Very high97.4Very high5 Ų514.6 Ų14.63%0.0269%0.085CC..Hα-helixtrans-58.3-43.4175.5-76.8163.5000112.3I62 G69 T70 I75 L77 I165 A167 V221 L226 I237I62-L73 HydrophobicContact CD1-CB 4.22Å; I62-L73 HydrophobicContact CG2-CB 3.87Å; I62-L73 HydrophobicContact CG2-CD1 4.14Å; G69-L73 PolarHBondContact O-N 2.98Å; T70-L73 PolarHBondContact O-N 2.63Å; L73-I75 PolarHBondContact O-N 2.82Å; L73-L77 WeakPolarHBondContact O-CG 3.42Å; L73-L77 PolarHBondContact O-N 2.97Å; L73-L77 VanDerWaalsContact O-N 3.15Å; L73-I165 HydrophobicContact CD1-CG2 3.78Å; L73-I165 HydrophobicContact CD2-CG2 4.32Å; L73-A167 HydrophobicContact CD1-CB 3.65Å; L73-V221 HydrophobicContact CD2-CG1 4.35Å; L73-L226 HydrophobicContact CD2-CD2 3.78Å; L73-L226 HydrophobicContact CG-CD2 3.91Å; L73-I237 HydrophobicContact CD2-CD1 3.58Å
74R97.6Very high97.3Very high0 Ų015.2 Ų15.20%09%0.087CC..Hα-helixtrans-53.9-55174.4-175.3-154.4136-178.48.6110.5T70 G71 L72 L77 D78 C85 G86 K144 S260 M261 E266T70-R74 WeakPolarHBondContact O-CB 3.46Å; T70-R74 PolarHBondContact O-N 3.14Å; G71-R74 WeakPolarHBondContact O-CB 3.26Å; L72-R74 VanDerWaalsContact C-N 3.3Å; L72-R74 PolarHBondContact O-N 2.8Å; R74-L77 PolarHBondContact O-N 3.01Å; R74-D78 IonicContact CZ-OD2 3.5Å; R74-D78 IonicContact NE-OD2 3.44Å; R74-D78 IonicContact NH2-OD2 2.7Å; R74-D78 PolarHBondContact NH2-OD2 3.3Å; R74-D78 WeakPolarHBondContact O-CB 3.44Å; R74-D78 PolarHBondContact O-N 2.75Å; R74-C85 HydrophobicContact CG-CB 3.52Å; R74-C85 PolarHBondContact O-SG 2.84Å; R74-G86 WeakPolarHBondContact CD-O 3.11Å; R74-G86 PolarHBondContact NE-O 2.93Å; R74-G86 PolarHBondContact NH2-O 2.96Å; R74-K144 HydrophobicContact CB-CB 4.09Å; R74-K144 HydrophobicContact CB-CD 4.43Å; R74-K144 HydrophobicContact CB-CG 3.99Å; R74-K144 HydrophobicContact CG-CB 3.97Å; R74-K144 HydrophobicContact CG-CG 4.36Å; R74-S260 PolarHBondContact NH2-OG 3.5Å; R74-M261 PolarHBondContact NH2-O 2.95Å; R74-E266 IonicContact CZ-OE1 2.96Å; R74-E266 IonicContact CZ-OE2 3.17Å; R74-E266 IonicContact NH1-OE1 2.83Å; R74-E266 PolarHBondContact NH1-OE1 3.47Å; R74-E266 IonicContact NH1-OE2 3.19Å; R74-E266 PolarHBondContact NH1-OE2 3.48Å
75I96.7Very high97.2Very high1 Ų115.2 Ų15.21%0.0059%0.088CC..Hα-helixtrans-72.1-34.2-170.9-149.863.7000112.9G71 L72 L73 L77 D78 V79 H252 V256 S260 F272G71-I75 PolarHBondContact O-N 2.86Å; G71-I75 VanDerWaalsContact O-N 3.09Å; L72-I75 HydrophobicContact CD1-CG2 4.28Å; L72-I75 WeakPolarHBondContact O-CG2 3.22Å; L72-I75 PolarHBondContact O-N 2.65Å; L73-I75 PolarHBondContact O-N 2.82Å; I75-L77 VanDerWaalsContact C-N 3.29Å; I75-L77 PolarHBondContact O-N 3.14Å; I75-D78 HydrophobicContact CD1-CB 4.31Å; I75-D78 PolarHBondContact O-N 2.82Å; I75-V79 PolarHBondContact O-N 3.29Å; I75-H252 VanDerWaalsContact CG2-CD2 3.43Å; I75-H252 WeakPolarHBondContact CG2-CD2 3.5Å; I75-V256 HydrophobicContact CD1-CG2 3.34Å; I75-V256 HydrophobicContact CG1-CB 4.34Å; I75-V256 HydrophobicContact CG1-CG2 3.35Å; I75-S260 WeakPolarHBondContact CD1-OG 3.12Å; I75-F272 HydrophobicContact CB-CD1 4.23Å; I75-F272 HydrophobicContact CB-CG 4.42Å; I75-F272 HydrophobicContact CD1-CB 4.39Å; I75-F272 HydrophobicContact CD1-CD2 4.1Å; I75-F272 HydrophobicContact CD1-CG 4.2Å; I75-F272 HydrophobicContact CG1-CB 4.07Å; I75-F272 HydrophobicContact CG1-CD1 4.43Å; I75-F272 HydrophobicContact CG1-CG 4.13Å; I75-F272 HydrophobicContact CG2-CD1 4.37Å
76L97.9Very high97Very high5 Ų514.9 Ų14.93%0.0269%0.086CC..Hα-helixtrans-60.9-40.3172.9-71.1172.6000111L72 V79 L226 I234 L249 H252L72-L76 HydrophobicContact CD1-CD1 3.91Å; L72-L76 HydrophobicContact CD1-CD2 4.34Å; L72-L76 HydrophobicContact CD1-CG 3.88Å; L72-L76 HydrophobicContact CG-CD1 3.83Å; L72-L76 HydrophobicContact CG-CG 4.26Å; L72-L76 WeakPolarHBondContact O-CB 3.16Å; L72-L76 VanDerWaalsContact O-CG 3.23Å; L72-L76 WeakPolarHBondContact O-CG 3.44Å; L72-L76 PolarHBondContact O-N 2.89Å; L76-V79 VanDerWaalsContact O-CG2 3.28Å; L76-V79 WeakPolarHBondContact O-CG2 3.18Å; L76-L226 HydrophobicContact CD1-CD1 4.07Å; L76-L226 HydrophobicContact CD1-CD2 4.18Å; L76-L226 HydrophobicContact CD1-CG 4.42Å; L76-I234 HydrophobicContact CD1-CD1 4.13Å; L76-I234 HydrophobicContact CD1-CG1 4.23Å; L76-I234 HydrophobicContact CD2-CD1 4.11Å; L76-L249 WeakPolarHBondContact CD2-O 3.41Å; L76-L249 WeakPolarHBondContact O-CD2 3.44Å; L76-L249 VanDerWaalsContact O-CG 3.31Å; L76-L249 WeakPolarHBondContact O-CG 3.31Å; L76-H252 HydrophobicContact CD2-CB 4.17Å
77L98.1Very high97Very high4 Ų414 Ų142%0.0218%0.084CC..Hα-helixtrans-77.4-35.1176.3-67179.7000112.4I60 I62 L73 R74 I75 V79 H80 V83 I165 I237 L238 L241I60-L77 HydrophobicContact CG2-CD1 4.32Å; I62-L77 HydrophobicContact CD1-CD1 3.83Å; L73-L77 WeakPolarHBondContact O-CG 3.42Å; L73-L77 PolarHBondContact O-N 2.97Å; L73-L77 VanDerWaalsContact O-N 3.15Å; R74-L77 PolarHBondContact O-N 3.01Å; I75-L77 VanDerWaalsContact C-N 3.29Å; I75-L77 PolarHBondContact O-N 3.14Å; L77-V79 PolarHBondContact O-N 3.04Å; L77-H80 VanDerWaalsContact O-CB 3.26Å; L77-H80 WeakPolarHBondContact O-CB 3.35Å; L77-H80 PolarHBondContact O-N 3.44Å; L77-V83 HydrophobicContact CB-CG1 4.05Å; L77-V83 WeakPolarHBondContact O-CB 3.41Å; L77-I165 HydrophobicContact CD1-CD1 4.05Å; L77-I237 HydrophobicContact CD2-CG2 4.47Å; L77-L238 HydrophobicContact CD2-CD2 3.9Å; L77-L241 HydrophobicContact CD1-CD1 3.87Å; L77-L241 HydrophobicContact CD2-CD1 3.99Å
78D96.5Very high96.9Very high9 Ų915.5 Ų15.55%0.0489%0.089CC..Hα-helixtrans-63.9-22.5-179.9-128.94.4000113.4R74 I75 R84 C85 G86 S260R74-D78 IonicContact CZ-OD2 3.5Å; R74-D78 IonicContact NE-OD2 3.44Å; R74-D78 IonicContact NH2-OD2 2.7Å; R74-D78 PolarHBondContact NH2-OD2 3.3Å; R74-D78 WeakPolarHBondContact O-CB 3.44Å; R74-D78 PolarHBondContact O-N 2.75Å; I75-D78 HydrophobicContact CD1-CB 4.31Å; I75-D78 PolarHBondContact O-N 2.82Å; D78-R84 WeakPolarHBondContact OD1-CA 3.48Å; D78-C85 HydrophobicContact CB-CB 4.42Å; D78-C85 WeakPolarHBondContact OD1-CA 3.21Å; D78-C85 PolarHBondContact OD1-N 3.37Å; D78-G86 PolarHBondContact OD1-N 3.21Å; D78-G86 PolarHBondContact OD2-N 3.38Å; D78-G86 VanDerWaalsContact OD2-N 3.12Å; D78-S260 PolarHBondContact OD2-OG 3.46Å; D78-S260 VanDerWaalsContact OD2-OG 3.13Å
79V97.2Very high96.8Very high1 Ų115.7 Ų15.71%0.0069%0.091CC..THydrogen-bonded Turntrans-87.1-6.5174.7-60.90000113.6I75 L76 L77 L249 H252 F255I75-V79 PolarHBondContact O-N 3.29Å; L76-V79 VanDerWaalsContact O-CG2 3.28Å; L76-V79 WeakPolarHBondContact O-CG2 3.18Å; L77-V79 PolarHBondContact O-N 3.04Å; V79-L249 HydrophobicContact CG2-CG 4.32Å; V79-H252 HydrophobicContact CG1-CB 4.12Å; V79-H252 HydrophobicContact CG2-CB 3.79Å; V79-F255 HydrophobicContact CB-CB 4.47Å; V79-F255 HydrophobicContact CG1-CB 4.16Å
80H98.2Very high96.5Very high7 Ų721 Ų213%0.03212%0.115CC..SBendtrans-77.5132.6177.1-172.8-80.7000110.5L77 M82 V83 I243 P244 L249L77-H80 VanDerWaalsContact O-CB 3.26Å; L77-H80 WeakPolarHBondContact O-CB 3.35Å; L77-H80 PolarHBondContact O-N 3.44Å; H80-M82 PolarHBondContact ND1-N 2.97Å; H80-M82 VanDerWaalsContact ND1-N 3.14Å; H80-M82 PolarHBondContact O-N 3.16Å; H80-V83 HydrophobicContact CB-CB 4.33Å; H80-V83 HydrophobicContact CB-CG2 4.34Å; H80-V83 PolarHBondContact O-N 3.49Å; H80-I243 WeakPolarHBondContact CE1-CG2 3.22Å; H80-I243 WeakPolarHBondContact NE2-CG2 3.41Å; H80-P244 PolarHBondContact NE2-O 3.27Å; H80-L249 HydrophobicContact CB-CD1 4.03Å
81P97Very high96.5Very high84 Ų8423.4 Ų23.455%0.54513%0.129SC..THydrogen-bonded Turntrans-56.5-29.5-173.7-27.634.5000116.2D246P81-D246 WeakPolarHBondContact CD-OD2 3.44Å; P81-D246 WeakPolarHBondContact CG-OD2 3.1Å
82M97.7Very high96.5Very high62 Ų6223.4 Ų23.431%0.30513%0.128SC..THydrogen-bonded Turntrans-89-12.9-179.7-62.1176.768.600114.4H80 D139 R140 P244H80-M82 PolarHBondContact ND1-N 2.97Å; H80-M82 VanDerWaalsContact ND1-N 3.14Å; H80-M82 PolarHBondContact O-N 3.16Å; M82-D139 HydrophobicContact CB-CB 4.29Å; M82-D139 HydrophobicContact CE-CB 4.28Å; M82-D139 PolarHBondContact O-N 3.46Å; M82-R140 PolarHBondContact O-N 2.94Å; M82-P244 VanDerWaalsContact SD-CD 3.53Å; M82-P244 HydrophobicContact SD-CG 3.68Å
83V98.3Very high96.5Very high6 Ų626.9 Ų26.94%0.03614%0.14CC..EExtended strand (participates in β ladder)trans-117.6133.7-169.2-175.60000110.8I60 L77 H80 R140 C142 I243I60-V83 HydrophobicContact CD1-CG1 4.03Å; I60-V83 HydrophobicContact CD1-CG2 4.27Å; L77-V83 HydrophobicContact CB-CG1 4.05Å; L77-V83 WeakPolarHBondContact O-CB 3.41Å; H80-V83 HydrophobicContact CB-CB 4.33Å; H80-V83 HydrophobicContact CB-CG2 4.34Å; H80-V83 PolarHBondContact O-N 3.49Å; V83-R140 WeakPolarHBondContact CA-O 3.23Å; V83-R140 HydrophobicContact CG2-CB 4.33Å; V83-C142 HydrophobicContact CG1-CB 3.87Å; V83-I243 HydrophobicContact CG2-CD1 3.51Å
84R97.1Very high96.5Very high13 Ų1332 Ų325%0.04916%0.164CC..EExtended strand (participates in β ladder)trans-124115.2164.6177.1-148.445.877.7-4.4109.4D78 L131 P136 A138 R140 L141 C142D78-R84 WeakPolarHBondContact OD1-CA 3.48Å; R84-L131 VanDerWaalsContact CZ-O 3.25Å; R84-L131 PolarHBondContact NH2-O 2.93Å; R84-P136 WeakPolarHBondContact CD-O 3.34Å; R84-P136 PolarHBondContact NE-O 3.09Å; R84-A138 HydrophobicContact CB-CB 3.65Å; R84-R140 PolarHBondContact N-O 2.86Å; R84-L141 VanDerWaalsContact NH2-CB 3.34Å; R84-L141 VanDerWaalsContact NH2-CD1 3.34Å; R84-L141 VanDerWaalsContact NH2-CG 3.28Å; R84-C142 PolarHBondContact O-N 3.48Å
85C96Very high96.5Very high2 Ų233.5 Ų33.51%0.01417%0.171CC..  trans-83.3-50.8164.5-66.50000111.1R74 D78 C142R74-C85 HydrophobicContact CG-CB 3.52Å; R74-C85 PolarHBondContact O-SG 2.84Å; D78-C85 HydrophobicContact CB-CB 4.42Å; D78-C85 WeakPolarHBondContact OD1-CA 3.21Å; D78-C85 PolarHBondContact OD1-N 3.37Å; C85-C142 VanDerWaalsContact CA-CB 3.46Å; C85-C142 WeakPolarHBondContact CA-O 3.39Å; C85-C142 VanDerWaalsContact CA-SG 3.56Å; C85-C142 HydrophobicContact CB-CB 3.67Å; C85-C142 WeakPolarHBondContact CB-SG 3.28Å; C85-C142 VanDerWaalsContact O-O 3.08Å; C85-C142 WeakPolarHBondContact SG-CB 3.43Å; C85-C142 CovalentContact SG-SG 2.04Å; C85-C142 PolarHBondContact SG-SG 2.77Å
86G93.4Very high96.5Very high1 Ų133.5 Ų33.51%0.0117%0.171CC..  trans62.6-174.8-169.700000113R74 D78R74-G86 WeakPolarHBondContact CD-O 3.11Å; R74-G86 PolarHBondContact NE-O 2.93Å; R74-G86 PolarHBondContact NH2-O 2.96Å; D78-G86 PolarHBondContact OD1-N 3.21Å; D78-G86 PolarHBondContact OD2-N 3.38Å; D78-G86 VanDerWaalsContact OD2-N 3.12Å
87P94.6Very high96.5Very high22 Ų2233.9 Ų33.914%0.14318%0.175CC..SBendtrans-69.2167.1-176.930.2-34.8000112.6P89 M134 N263 E266P87-P89 WeakPolarHBondContact O-CD 3.35Å; P87-M134 HydrophobicContact CG-CE 3.8Å; P87-M134 VanDerWaalsContact O-CE 3.28Å; P87-M134 WeakPolarHBondContact O-CE 3.38Å; P87-N263 HydrophobicContact CB-CB 3.78Å; P87-E266 VanDerWaalsContact CA-OE1 3.24Å; P87-E266 WeakPolarHBondContact CA-OE1 3.48Å; P87-E266 VanDerWaalsContact CB-OE1 3.27Å; P87-E266 WeakPolarHBondContact CB-OE1 3.49Å
88E95.3Very high96.4Very high46 Ų4637 Ų3722%0.21519%0.191CC..  trans-59.7124.9179.2-58.7-169.8166.900111.8I90 K144 P146 E266E88-I90 VanDerWaalsContact C-N 3.26Å; E88-I90 HydrophobicContact CB-CG2 4.15Å; E88-I90 PolarHBondContact O-N 3.09Å; E88-K144 WeakPolarHBondContact CA-O 3.48Å; E88-K144 VanDerWaalsContact CD-NZ 3.33Å; E88-K144 HydrophobicContact CG-CD 4.19Å; E88-K144 WeakPolarHBondContact CG-O 3.36Å; E88-K144 IonicContact OE1-NZ 3Å; E88-K144 PolarHBondContact OE1-NZ 3.42Å; E88-P146 WeakPolarHBondContact OE1-CD 3.32Å; E88-E266 HydrophobicContact CG-CG 4.01Å; E88-E266 PolarHBondContact N-OE1 3.12Å
89P95.1Very high96.3Very high5 Ų536.6 Ų36.63%0.03219%0.189CC..  trans-80.374.2173.132.9-35.5000110.2P87 V91 T92 I130 L131 M134 H143P87-P89 WeakPolarHBondContact O-CD 3.35Å; P89-V91 PolarHBondContact O-N 2.86Å; P89-T92 WeakPolarHBondContact O-CB 3.34Å; P89-T92 PolarHBondContact O-N 2.96Å; P89-T92 PolarHBondContact O-OG1 3.34Å; P89-I130 HydrophobicContact CB-CG2 4.17Å; P89-L131 HydrophobicContact CG-CD2 4.27Å; P89-M134 HydrophobicContact CB-CE 4.13Å; P89-M134 HydrophobicContact CB-SD 3.76Å; P89-H143 WeakPolarHBondContact CG-CD2 3.37Å; P89-H143 WeakPolarHBondContact CG-NE2 3.31Å
90I90.8Very high96.1Very high124 Ų12441 Ų4164%0.63621%0.205SC*.THydrogen-bonded Turntrans-53.6-14.6-170.260.5174000116E88E88-I90 VanDerWaalsContact C-N 3.26Å; E88-I90 HydrophobicContact CB-CG2 4.15Å; E88-I90 PolarHBondContact O-N 3.09Å
91V96.1Very high95.8Very high61 Ų6147.9 Ų47.937%0.3723%0.231SC..THydrogen-bonded Turntrans-80.9-15.7176.7-63.50000113.7P89 R93 E94 I95 F126 I130P89-V91 PolarHBondContact O-N 2.86Å; V91-R93 PolarHBondContact O-N 2.83Å; V91-E94 PolarHBondContact O-N 2.95Å; V91-I95 PolarHBondContact O-N 3.42Å; V91-F126 HydrophobicContact CB-CE1 4.49Å; V91-F126 HydrophobicContact CG2-CE1 3.87Å; V91-F126 HydrophobicContact CG2-CZ 4.37Å; V91-I130 HydrophobicContact CG2-CG1 4.42Å; V91-I130 HydrophobicContact CG2-CG2 4.39Å
92T97.7Very high95.5Very high3 Ų345.8 Ų45.82%0.01822%0.215CC..Hα-helixtrans-61.7-44.5-171.3-52.90000111.8P89 E94 I95 L96 I127 H143P89-T92 WeakPolarHBondContact O-CB 3.34Å; P89-T92 PolarHBondContact O-N 2.96Å; P89-T92 PolarHBondContact O-OG1 3.34Å; T92-E94 VanDerWaalsContact C-N 3.27Å; T92-E94 PolarHBondContact O-N 3.05Å; T92-I95 PolarHBondContact O-N 2.89Å; T92-L96 HydrophobicContact CG2-CD1 3.79Å; T92-L96 HydrophobicContact CG2-CG 4.31Å; T92-L96 WeakPolarHBondContact O-CG 3.49Å; T92-L96 PolarHBondContact O-N 2.88Å; T92-I127 HydrophobicContact CG2-CD1 4.12Å; T92-I127 HydrophobicContact CG2-CG1 4.26Å; T92-H143 WeakPolarHBondContact CB-NE2 3.4Å; T92-H143 WeakPolarHBondContact CG2-NE2 3Å; T92-H143 PolarHBondContact OG1-NE2 3.45Å
93R97.3Very high94.9Very high104 Ų10445 Ų4539%0.39221%0.212SC..Hα-helixtrans-54.5-43.6177.8178.6-176.7166.5137-4.1112.2V91 L96 A97 Y151V91-R93 PolarHBondContact O-N 2.83Å; R93-L96 PolarHBondContact O-N 3.46Å; R93-A97 WeakPolarHBondContact O-CB 3.44Å; R93-A97 PolarHBondContact O-N 3Å; R93-Y151 HydrophobicContact CG-CE2 4.09Å
94E97.8Very high94Very high113 Ų11352 Ų5253%0.52824%0.244SC..Hα-helixtrans-69.7-37-177.4-62.9-51.6131.400112.3V91 T92 A97 L98V91-E94 PolarHBondContact O-N 2.95Å; T92-E94 VanDerWaalsContact C-N 3.27Å; T92-E94 PolarHBondContact O-N 3.05Å; E94-A97 PolarHBondContact O-N 3.5Å; E94-L98 WeakPolarHBondContact O-CB 3.35Å; E94-L98 PolarHBondContact O-N 3.34Å
95I97.5Very high93.2Very high31 Ų3157.8 Ų57.816%0.15927%0.27CS..Hα-helixtrans-69.6-40.3176.4-63.7-62.3000111.4V91 T92 L98 R99 V123 F126V91-I95 PolarHBondContact O-N 3.42Å; T92-I95 PolarHBondContact O-N 2.89Å; I95-L98 WeakPolarHBondContact O-CB 3.29Å; I95-L98 PolarHBondContact O-N 2.91Å; I95-R99 PolarHBondContact O-N 2.89Å; I95-V123 HydrophobicContact CG2-CB 4.36Å; I95-V123 HydrophobicContact CG2-CG1 3.82Å; I95-V123 HydrophobicContact CG2-CG2 4.22Å; I95-F126 HydrophobicContact CB-CD1 4.43Å; I95-F126 HydrophobicContact CD1-CD1 4.12Å; I95-F126 HydrophobicContact CD1-CD2 4.45Å; I95-F126 HydrophobicContact CD1-CE1 3.94Å; I95-F126 HydrophobicContact CD1-CE2 4.27Å; I95-F126 HydrophobicContact CD1-CG 4.39Å; I95-F126 HydrophobicContact CD1-CZ 4.01Å; I95-F126 HydrophobicContact CG1-CD1 3.67Å; I95-F126 HydrophobicContact CG1-CE1 3.5Å; I95-F126 VanDerWaalsContact CG1-CE1 3.5Å; I95-F126 HydrophobicContact CG1-CG 4.37Å; I95-F126 HydrophobicContact CG1-CZ 4.05Å; I95-F126 HydrophobicContact CG2-CD1 4.25Å
96L97.9Very high92Very high0 Ų062.8 Ų62.80%029%0.293CS..Hα-helixtrans-66.1-38.9173.6-66.8168.7000111.5T92 R93 L98 R99 R100 I127 Y151 D154 L155 L158T92-L96 HydrophobicContact CG2-CD1 3.79Å; T92-L96 HydrophobicContact CG2-CG 4.31Å; T92-L96 WeakPolarHBondContact O-CG 3.49Å; T92-L96 PolarHBondContact O-N 2.88Å; R93-L96 PolarHBondContact O-N 3.46Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 3.19Å; L96-R99 WeakPolarHBondContact O-CB 3.24Å; L96-R99 PolarHBondContact O-N 3.09Å; L96-R100 PolarHBondContact O-N 2.95Å; L96-I127 HydrophobicContact CD2-CD1 4.17Å; L96-I127 HydrophobicContact CG-CD1 4.49Å; L96-Y151 HydrophobicContact CB-CD1 4.14Å; L96-Y151 HydrophobicContact CB-CD2 3.73Å; L96-Y151 HydrophobicContact CB-CE2 4.19Å; L96-Y151 HydrophobicContact CB-CG 3.72Å; L96-Y151 HydrophobicContact CD1-CD2 4.14Å; L96-Y151 HydrophobicContact CD1-CG 4.2Å; L96-D154 HydrophobicContact CD2-CB 4.44Å; L96-L155 HydrophobicContact CD1-CD1 4.37Å; L96-L155 HydrophobicContact CD1-CD2 3.83Å; L96-L155 HydrophobicContact CD1-CG 3.98Å; L96-L155 HydrophobicContact CD2-CD2 4.07Å; L96-L155 HydrophobicContact CD2-CG 4.47Å; L96-L158 HydrophobicContact CD2-CD1 3.48Å; L96-L158 VanDerWaalsContact CD2-CD1 3.48Å
97A96.9Very high91.3Very high14 Ų1465 Ų6512%0.11632%0.315CS..Hα-helixtrans-62.6-40.2172.900000112R93 E94 R101 Y151R93-A97 WeakPolarHBondContact O-CB 3.44Å; R93-A97 PolarHBondContact O-N 3Å; E94-A97 PolarHBondContact O-N 3.5Å; A97-R101 WeakPolarHBondContact O-CB 3.32Å; A97-R101 VanDerWaalsContact O-CG 3.31Å; A97-R101 WeakPolarHBondContact O-CG 3.45Å; A97-R101 PolarHBondContact O-N 2.89Å; A97-R101 PolarHBondContact O-NE 2.87Å; A97-Y151 WeakPolarHBondContact CA-OH 3.29Å; A97-Y151 VanDerWaalsContact CB-OH 3.27Å; A97-Y151 WeakPolarHBondContact CB-OH 3.47Å
98L95.2Very high90.7Very high68 Ų6874.8 Ų74.836%0.35635%0.349SS..Hα-helixtrans-61-47.2172.7-178.6154.2000110.9E94 I95 L96 N102 L119E94-L98 WeakPolarHBondContact O-CB 3.35Å; E94-L98 PolarHBondContact O-N 3.34Å; I95-L98 WeakPolarHBondContact O-CB 3.29Å; I95-L98 PolarHBondContact O-N 2.91Å; L96-L98 VanDerWaalsContact C-N 3.34Å; L96-L98 PolarHBondContact O-N 3.19Å; L98-N102 WeakPolarHBondContact O-CB 3.35Å; L98-N102 PolarHBondContact O-N 3.43Å; L98-N102 PolarHBondContact O-ND2 3.31Å; L98-L119 HydrophobicContact CD2-CD1 4.47Å
99R95Very high90.3Very high1 Ų174.1 Ų74.10%0.00435%0.347CS..Hα-helixtrans-55.1-57.2176.3-176.1-167177-111.94.8110.9I95 L96 R101 N102 I103 L119 D120 V123 D154 E157I95-R99 PolarHBondContact O-N 2.89Å; L96-R99 WeakPolarHBondContact O-CB 3.24Å; L96-R99 PolarHBondContact O-N 3.09Å; R99-R101 PolarHBondContact O-N 2.68Å; R99-N102 PolarHBondContact O-N 3.47Å; R99-I103 HydrophobicContact CG-CD1 3.76Å; R99-I103 HydrophobicContact CG-CG1 4.35Å; R99-I103 PolarHBondContact O-N 2.88Å; R99-L119 HydrophobicContact CG-CD2 4.35Å; R99-L119 HydrophobicContact CG-CG 4.49Å; R99-D120 IonicContact CZ-OD1 2.77Å; R99-D120 IonicContact NE-OD1 2.75Å; R99-D120 PolarHBondContact NE-OD1 3.29Å; R99-D120 VanDerWaalsContact NH2-CG 3.34Å; R99-D120 IonicContact NH2-OD1 2.67Å; R99-D120 PolarHBondContact NH2-OD1 2.78Å; R99-D120 IonicContact NH2-OD2 3.46Å; R99-D120 PolarHBondContact NH2-OD2 3.13Å; R99-D120 VanDerWaalsContact NH2-OD2 3.16Å; R99-V123 HydrophobicContact CB-CG1 4.47Å; R99-V123 HydrophobicContact CB-CG2 4.01Å; R99-V123 HydrophobicContact CG-CG2 4.3Å; R99-D154 IonicContact NH1-OD1 3.16Å; R99-D154 PolarHBondContact NH1-OD1 3.5Å; R99-E157 IonicContact CZ-OE2 2.89Å; R99-E157 IonicContact NH1-OE2 3.75Å; R99-E157 PolarHBondContact NH1-OE2 3.45Å; R99-E157 IonicContact NH2-OE2 3.93Å; R99-E157 PolarHBondContact NH2-OE2 3.25Å
100R93.4Very high89.7Confident93 Ų9376.3 Ų76.335%0.35136%0.363SS..Hα-helixtrans-60.5-41.4-175.3-179.5169-81.6-175.3-13.5112.5L96 N102 Q104 Y151 D154L96-R100 PolarHBondContact O-N 2.95Å; R100-N102 VanDerWaalsContact C-N 3.26Å; R100-N102 PolarHBondContact O-N 3.27Å; R100-Q104 WeakPolarHBondContact O-CG 3.31Å; R100-Q104 PolarHBondContact O-N 3.22Å; R100-Y151 HydrophobicContact CB-CE1 4.3Å; R100-D154 IonicContact CZ-OD2 3.97Å; R100-D154 IonicContact NE-OD1 3.55Å; R100-D154 IonicContact NE-OD2 3.87Å; R100-D154 PolarHBondContact NE-OD2 3.46Å; R100-D154 IonicContact NH2-OD1 3.61Å; R100-D154 IonicContact NH2-OD2 3.22Å; R100-D154 PolarHBondContact NH2-OD2 2.74Å
101R92.4Very high89.5Confident152 Ų15278.5 Ų78.557%0.57437%0.37SS*.Hα-helixtrans-61.9-32.4175.5-76.6-172.8-63.5165.6-2.2113.3A97 R99A97-R101 WeakPolarHBondContact O-CB 3.32Å; A97-R101 VanDerWaalsContact O-CG 3.31Å; A97-R101 WeakPolarHBondContact O-CG 3.45Å; A97-R101 PolarHBondContact O-N 2.89Å; A97-R101 PolarHBondContact O-NE 2.87Å; R99-R101 PolarHBondContact O-N 2.68Å
102N89.9Confident89.1Confident40 Ų4080 Ų8021%0.21438%0.383CS..Hα-helixtrans-86.8-36.9-175.6-83.2-62.3000112.4L98 R99 R100 Q104 K105 L109 L119L98-N102 WeakPolarHBondContact O-CB 3.35Å; L98-N102 PolarHBondContact O-N 3.43Å; L98-N102 PolarHBondContact O-ND2 3.31Å; R99-N102 PolarHBondContact O-N 3.47Å; R100-N102 VanDerWaalsContact C-N 3.26Å; R100-N102 PolarHBondContact O-N 3.27Å; N102-Q104 PolarHBondContact O-N 2.87Å; N102-K105 WeakPolarHBondContact O-CA 3.47Å; N102-K105 PolarHBondContact O-N 2.93Å; N102-L109 HydrophobicContact CB-CD1 3.69Å; N102-L109 WeakPolarHBondContact O-CD1 3.44Å; N102-L119 HydrophobicContact CB-CD2 3.88Å
103I86.1Confident88.7Confident45 Ų4582.2 Ų82.223%0.23141%0.407CS..Hα-helixtrans-55.8-38.1172.5-70.5175.8000111.2R99 K105 H106 E116 L119R99-I103 HydrophobicContact CG-CD1 3.76Å; R99-I103 HydrophobicContact CG-CG1 4.35Å; R99-I103 PolarHBondContact O-N 2.88Å; I103-K105 PolarHBondContact O-N 2.87Å; I103-H106 PolarHBondContact O-N 3.33Å; I103-E116 HydrophobicContact CD1-CG 4.43Å; I103-E116 HydrophobicContact CG1-CG 4.46Å; I103-L119 HydrophobicContact CG1-CD2 4.16Å
104Q79.2Confident88.4Confident153 Ų15380.3 Ų80.372%0.71540%0.404SS*.THydrogen-bonded Turntrans-66.9-13.8176.2-65.5173.817.300114.1R100 N102R100-Q104 WeakPolarHBondContact O-CG 3.31Å; R100-Q104 PolarHBondContact O-N 3.22Å; N102-Q104 PolarHBondContact O-N 2.87Å
105K80Confident88Confident135 Ų13578.6 Ų78.659%0.58740%0.401SS*.THydrogen-bonded Turntrans-105.929.9179.6-64.6-178.8178.6-174.90113N102 I103 G107 W108N102-K105 WeakPolarHBondContact O-CA 3.47Å; N102-K105 PolarHBondContact O-N 2.93Å; I103-K105 PolarHBondContact O-N 2.87Å; K105-G107 PolarHBondContact O-N 3.17Å; K105-W108 PolarHBondContact O-N 3.45Å
106H70.4Confident87.6Confident108 Ų10881.2 Ų81.250%0.541%0.413SS..Hα-helixtrans-44.6-38.2-168.6-16583.9000115.5I103 W108 S110I103-H106 PolarHBondContact O-N 3.33Å; H106-W108 PolarHBondContact O-N 3.47Å; H106-S110 WeakPolarHBondContact O-CB 3.27Å; H106-S110 PolarHBondContact O-N 3.39Å; H106-S110 VanDerWaalsContact O-N 3.16Å; H106-S110 PolarHBondContact O-OG 3.18Å
107G79.5Confident87.2Confident46 Ų4685 Ų8547%0.47443%0.433SS..Hα-helixtrans-63.4-37.1-178.400000115K105 S110 Q111K105-G107 PolarHBondContact O-N 3.17Å; G107-S110 PolarHBondContact O-OG 2.83Å; G107-S110 VanDerWaalsContact O-OG 3.13Å; G107-Q111 VanDerWaalsContact O-CG 3.3Å; G107-Q111 WeakPolarHBondContact O-CG 3.36Å
108W82.1Confident87Confident228 Ų22888.4 Ų88.486%0.86445%0.449SS*.Hα-helixtrans-82-35.5-177.4-75.642.1000112K105 H106 S112K105-W108 PolarHBondContact O-N 3.45Å; H106-W108 PolarHBondContact O-N 3.47Å; W108-S112 PolarHBondContact O-OG 2.94Å
109L85.1Confident86.8Confident32 Ų3286.3 Ų86.317%0.16844%0.438CS..Hα-helixtrans-69.4-43.1179.6-69.3171.8000112.1N102 Q111 S112 G113 I114N102-L109 HydrophobicContact CB-CD1 3.69Å; N102-L109 WeakPolarHBondContact O-CD1 3.44Å; L109-Q111 VanDerWaalsContact C-N 3.31Å; L109-Q111 PolarHBondContact O-N 3.38Å; L109-S112 CarbonylContact O-C 3.53Å; L109-S112 WeakPolarHBondContact O-CA 3.47Å; L109-S112 PolarHBondContact O-N 2.84Å; L109-G113 PolarHBondContact O-N 3.41Å; L109-I114 CarbonylContact C-O 3.59Å; L109-I114 HydrophobicContact CB-CB 4.14Å; L109-I114 HydrophobicContact CB-CG2 4.45Å; L109-I114 WeakPolarHBondContact CB-O 3.3Å; L109-I114 HydrophobicContact CD2-CB 4.32Å; L109-I114 HydrophobicContact CD2-CD1 4.11Å; L109-I114 HydrophobicContact CD2-CG2 4.31Å; L109-I114 WeakPolarHBondContact O-CA 3.48Å; L109-I114 PolarHBondContact O-N 3.06Å
110S83.3Confident86.8Confident52 Ų5286.8 Ų86.836%0.36444%0.44SS..Hα-helixtrans-61-38.7179.250.60000112.3H106 G107 S112 G113H106-S110 WeakPolarHBondContact O-CB 3.27Å; H106-S110 PolarHBondContact O-N 3.39Å; H106-S110 VanDerWaalsContact O-N 3.16Å; H106-S110 PolarHBondContact O-OG 3.18Å; G107-S110 PolarHBondContact O-OG 2.83Å; G107-S110 VanDerWaalsContact O-OG 3.13Å; S110-S112 PolarHBondContact O-N 3.21Å; S110-G113 PolarHBondContact O-N 2.79Å
111Q86.5Confident86.8Confident169 Ų16985.3 Ų85.379%0.7944%0.436SS*.Hα-helixtrans-65-26.7175.2-66.6-66.3-4.800113.3G107 L109 G113G107-Q111 VanDerWaalsContact O-CG 3.3Å; G107-Q111 WeakPolarHBondContact O-CG 3.36Å; L109-Q111 VanDerWaalsContact C-N 3.31Å; L109-Q111 PolarHBondContact O-N 3.38Å; Q111-G113 VanDerWaalsContact C-N 3.28Å
112S88.8Confident86.8Confident92 Ų9280.9 Ų80.964%0.64343%0.433SS*.THydrogen-bonded Turntrans-86.36.2172.9-600000113.4W108 L109 S110 I114W108-S112 PolarHBondContact O-OG 2.94Å; L109-S112 CarbonylContact O-C 3.53Å; L109-S112 WeakPolarHBondContact O-CA 3.47Å; L109-S112 PolarHBondContact O-N 2.84Å; S110-S112 PolarHBondContact O-N 3.21Å; S112-I114 VanDerWaalsContact C-N 3.26Å; S112-I114 PolarHBondContact O-N 2.68Å
113G88.6Confident87.1Confident50 Ų5079.3 Ų79.352%0.51542%0.424SS..THydrogen-bonded Turntrans76.58-175.700000114.6L109 S110 Q111 T115L109-G113 PolarHBondContact O-N 3.41Å; S110-G113 PolarHBondContact O-N 2.79Å; Q111-G113 VanDerWaalsContact C-N 3.28Å; G113-T115 PolarHBondContact O-N 3.35Å
114I90.6Very high87.6Confident65 Ų6577.1 Ų77.133%0.33341%0.413SS..  trans-89.693.8178.3-55.5172.8000108.8L109 S112 L119L109-I114 CarbonylContact C-O 3.59Å; L109-I114 HydrophobicContact CB-CB 4.14Å; L109-I114 HydrophobicContact CB-CG2 4.45Å; L109-I114 WeakPolarHBondContact CB-O 3.3Å; L109-I114 HydrophobicContact CD2-CB 4.32Å; L109-I114 HydrophobicContact CD2-CD1 4.11Å; L109-I114 HydrophobicContact CD2-CG2 4.31Å; L109-I114 WeakPolarHBondContact O-CA 3.48Å; L109-I114 PolarHBondContact O-N 3.06Å; S112-I114 VanDerWaalsContact C-N 3.26Å; S112-I114 PolarHBondContact O-N 2.68Å; I114-L119 HydrophobicContact CG2-CB 4.4Å
115T89.7Confident88.4Confident76 Ų7671.1 Ų71.147%0.46639%0.392SS..  trans-75.1158.7172.666.10000111.2G113 N117 L118 L119G113-T115 PolarHBondContact O-N 3.35Å; T115-N117 VanDerWaalsContact C-N 3.27Å; T115-N117 PolarHBondContact O-N 3.31Å; T115-L118 PolarHBondContact O-N 3.03Å; T115-L118 VanDerWaalsContact O-N 3.09Å; T115-L118 WeakPolarHBondContact OG1-CB 3.4Å; T115-L118 PolarHBondContact OG1-N 3.22Å; T115-L118 VanDerWaalsContact OG1-N 3.12Å; T115-L119 PolarHBondContact O-N 3.02Å
116E88.9Confident89.2Confident86 Ų8668.7 Ų68.740%0.40238%0.382SS..Hα-helixtrans-56.2-43.3173.2-177.3174.6175.400111.7I103 L118 L119 D120I103-E116 HydrophobicContact CD1-CG 4.43Å; I103-E116 HydrophobicContact CG1-CG 4.46Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.04Å; E116-L119 PolarHBondContact O-N 2.84Å; E116-D120 WeakPolarHBondContact O-CB 3.33Å; E116-D120 PolarHBondContact O-N 3.38Å
117N90Very high90.5Very high81 Ų8163.7 Ų63.743%0.43336%0.359SS..Hα-helixtrans-62-37.9175.6-177.654.8000112.7R55 T115 D120 K121R55-N117 PolarHBondContact NH1-OD1 3.3Å; T115-N117 VanDerWaalsContact C-N 3.27Å; T115-N117 PolarHBondContact O-N 3.31Å; N117-D120 PolarHBondContact O-N 3.29Å; N117-K121 VanDerWaalsContact O-CG 3.31Å; N117-K121 WeakPolarHBondContact O-CG 3.35Å; N117-K121 PolarHBondContact O-N 3.26Å
118L91.3Very high91.3Very high85 Ų8561.8 Ų61.845%0.44534%0.338SS..Hα-helixtrans-66.7-43.3175.3178.858.7000111.3T115 E116 D120 K121 A122T115-L118 PolarHBondContact O-N 3.03Å; T115-L118 VanDerWaalsContact O-N 3.09Å; T115-L118 WeakPolarHBondContact OG1-CB 3.4Å; T115-L118 PolarHBondContact OG1-N 3.22Å; T115-L118 VanDerWaalsContact OG1-N 3.12Å; E116-L118 VanDerWaalsContact C-N 3.32Å; E116-L118 PolarHBondContact O-N 3.04Å; L118-D120 VanDerWaalsContact C-N 3.33Å; L118-D120 PolarHBondContact O-N 3.39Å; L118-K121 PolarHBondContact O-N 3.43Å; L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.42Å
119L92.3Very high91.9Very high23 Ų2353.7 Ų53.712%0.1232%0.316CS..Hα-helixtrans-61.5-43.3175.7-177.961.5000111.2L98 R99 N102 I103 I114 T115 E116 K121 A122 V123L98-L119 HydrophobicContact CD2-CD1 4.47Å; R99-L119 HydrophobicContact CG-CD2 4.35Å; R99-L119 HydrophobicContact CG-CG 4.49Å; N102-L119 HydrophobicContact CB-CD2 3.88Å; I103-L119 HydrophobicContact CG1-CD2 4.16Å; I114-L119 HydrophobicContact CG2-CB 4.4Å; T115-L119 PolarHBondContact O-N 3.02Å; E116-L119 PolarHBondContact O-N 2.84Å; L119-K121 PolarHBondContact O-N 3.16Å; L119-A122 PolarHBondContact O-N 2.9Å; L119-V123 HydrophobicContact CD1-CG2 4.11Å; L119-V123 HydrophobicContact CG-CG2 4.36Å; L119-V123 WeakPolarHBondContact O-CB 3.26Å; L119-V123 VanDerWaalsContact O-CG2 3.28Å; L119-V123 WeakPolarHBondContact O-CG2 3.4Å; L119-V123 PolarHBondContact O-N 2.99Å
120D93.8Very high92.5Very high11 Ų1154.6 Ų54.66%0.05932%0.32CS..Hα-helixtrans-61.6-42.9176.5-77.9-0.1000112.3R55 R99 E116 N117 L118 S124 L158R55-D120 IonicContact NH2-OD2 3.59Å; R99-D120 IonicContact CZ-OD1 2.77Å; R99-D120 IonicContact NE-OD1 2.75Å; R99-D120 PolarHBondContact NE-OD1 3.29Å; R99-D120 VanDerWaalsContact NH2-CG 3.34Å; R99-D120 IonicContact NH2-OD1 2.67Å; R99-D120 PolarHBondContact NH2-OD1 2.78Å; R99-D120 IonicContact NH2-OD2 3.46Å; R99-D120 PolarHBondContact NH2-OD2 3.13Å; R99-D120 VanDerWaalsContact NH2-OD2 3.16Å; E116-D120 WeakPolarHBondContact O-CB 3.33Å; E116-D120 PolarHBondContact O-N 3.38Å; N117-D120 PolarHBondContact O-N 3.29Å; L118-D120 VanDerWaalsContact C-N 3.33Å; L118-D120 PolarHBondContact O-N 3.39Å; D120-S124 WeakPolarHBondContact O-CB 3.23Å; D120-S124 PolarHBondContact O-N 3.34Å; D120-S124 PolarHBondContact O-OG 3.16Å; D120-L158 HydrophobicContact CB-CD2 3.83Å
121K93.7Very high93.1Very high62 Ų6252.2 Ų52.227%0.2730%0.304SS..Hα-helixtrans-62.3-45.1174.4-74.9-175.8-175-156.10111.5D52 N117 L118 L119 G125D52-K121 WeakPolarHBondContact OD1-CE 3.44Å; D52-K121 IonicContact OD1-NZ 3.58Å; D52-K121 PolarHBondContact OD1-NZ 3.39Å; D52-K121 IonicContact OD2-NZ 3.19Å; N117-K121 VanDerWaalsContact O-CG 3.31Å; N117-K121 WeakPolarHBondContact O-CG 3.35Å; N117-K121 PolarHBondContact O-N 3.26Å; L118-K121 PolarHBondContact O-N 3.43Å; L119-K121 PolarHBondContact O-N 3.16Å; K121-G125 PolarHBondContact O-N 2.92Å
122A93.9Very high93.5Very high60 Ų6048.2 Ų48.250%0.49628%0.284SS..Hα-helixtrans-64.6-45.7179.300000112.2L118 L119 G125 F126L118-A122 WeakPolarHBondContact O-CB 3.47Å; L118-A122 PolarHBondContact O-N 3.42Å; L119-A122 PolarHBondContact O-N 2.9Å; A122-G125 PolarHBondContact O-N 3.48Å; A122-F126 PolarHBondContact O-N 3.31Å
123V96Very high93.8Very high6 Ų650 Ų504%0.03629%0.286CS..Hα-helixtrans-64.1-45.9178.1165.10000111.2I95 R99 L119 F126 I127 L158I95-V123 HydrophobicContact CG2-CB 4.36Å; I95-V123 HydrophobicContact CG2-CG1 3.82Å; I95-V123 HydrophobicContact CG2-CG2 4.22Å; R99-V123 HydrophobicContact CB-CG1 4.47Å; R99-V123 HydrophobicContact CB-CG2 4.01Å; R99-V123 HydrophobicContact CG-CG2 4.3Å; L119-V123 HydrophobicContact CD1-CG2 4.11Å; L119-V123 HydrophobicContact CG-CG2 4.36Å; L119-V123 WeakPolarHBondContact O-CB 3.26Å; L119-V123 VanDerWaalsContact O-CG2 3.28Å; L119-V123 WeakPolarHBondContact O-CG2 3.4Å; L119-V123 PolarHBondContact O-N 2.99Å; V123-F126 PolarHBondContact O-N 3.19Å; V123-I127 HydrophobicContact CG1-CD1 4.08Å; V123-I127 WeakPolarHBondContact O-CG1 3.3Å; V123-I127 PolarHBondContact O-N 3.35Å; V123-L158 HydrophobicContact CB-CD2 4.37Å; V123-L158 HydrophobicContact CG1-CD1 3.74Å; V123-L158 HydrophobicContact CG1-CD2 4.09Å
124S96.9Very high94Very high0 Ų050.3 Ų50.30%028%0.275CS..Hα-helixtrans-64.3-42.8177.8-54.90000111.3R55 D120 F126 I127 V128 L158R55-S124 WeakPolarHBondContact CG-OG 3.49Å; D120-S124 WeakPolarHBondContact O-CB 3.23Å; D120-S124 PolarHBondContact O-N 3.34Å; D120-S124 PolarHBondContact O-OG 3.16Å; S124-F126 VanDerWaalsContact C-N 3.34Å; S124-F126 PolarHBondContact O-N 3.33Å; S124-I127 PolarHBondContact O-N 3.05Å; S124-V128 WeakPolarHBondContact O-CB 3.49Å; S124-V128 VanDerWaalsContact O-CG2 3.29Å; S124-V128 WeakPolarHBondContact O-CG2 3.33Å; S124-V128 PolarHBondContact O-N 2.63Å; S124-L158 WeakPolarHBondContact OG-CD2 3.4Å
125G95.8Very high94.1Very high26 Ų2648.3 Ų48.327%0.26827%0.27SS..Hα-helixtrans-60.1-42.2175.700000112.6K121 A122 V128 S129K121-G125 PolarHBondContact O-N 2.92Å; A122-G125 PolarHBondContact O-N 3.48Å; G125-V128 PolarHBondContact O-N 2.96Å; G125-S129 VanDerWaalsContact O-CB 3.31Å; G125-S129 WeakPolarHBondContact O-CB 3.5Å; G125-S129 PolarHBondContact O-N 3Å
126F96.4Very high94.3Very high85 Ų8548.6 Ų48.637%0.37327%0.273SS..Hα-helixtrans-59.8-52.9174.1-176.9-79.3000111.4V91 I95 A122 V123 S124 V128 S129 I130V91-F126 HydrophobicContact CB-CE1 4.49Å; V91-F126 HydrophobicContact CG2-CE1 3.87Å; V91-F126 HydrophobicContact CG2-CZ 4.37Å; I95-F126 HydrophobicContact CB-CD1 4.43Å; I95-F126 HydrophobicContact CD1-CD1 4.12Å; I95-F126 HydrophobicContact CD1-CD2 4.45Å; I95-F126 HydrophobicContact CD1-CE1 3.94Å; I95-F126 HydrophobicContact CD1-CE2 4.27Å; I95-F126 HydrophobicContact CD1-CG 4.39Å; I95-F126 HydrophobicContact CD1-CZ 4.01Å; I95-F126 HydrophobicContact CG1-CD1 3.67Å; I95-F126 HydrophobicContact CG1-CE1 3.5Å; I95-F126 VanDerWaalsContact CG1-CE1 3.5Å; I95-F126 HydrophobicContact CG1-CG 4.37Å; I95-F126 HydrophobicContact CG1-CZ 4.05Å; I95-F126 HydrophobicContact CG2-CD1 4.25Å; A122-F126 PolarHBondContact O-N 3.31Å; V123-F126 PolarHBondContact O-N 3.19Å; S124-F126 VanDerWaalsContact C-N 3.34Å; S124-F126 PolarHBondContact O-N 3.33Å; F126-V128 VanDerWaalsContact C-N 3.32Å; F126-V128 PolarHBondContact O-N 2.83Å; F126-S129 PolarHBondContact O-N 3.03Å; F126-I130 HydrophobicContact CD1-CG1 4.11Å; F126-I130 HydrophobicContact CE1-CD1 4.42Å; F126-I130 HydrophobicContact CE1-CG1 3.71Å; F126-I130 HydrophobicContact CZ-CD1 4.38Å; F126-I130 HydrophobicContact CZ-CG1 4.14Å; F126-I130 WeakPolarHBondContact O-CG1 3.4Å; F126-I130 PolarHBondContact O-N 3.42Å; F126-I130 VanDerWaalsContact O-N 3.07Å
127I97.5Very high94.6Very high2 Ų250.6 Ų50.61%0.0129%0.294CS..Hα-helixtrans-59.3-44.9-179.4-67.5168.4000110.4T92 L96 V123 S124 I130 L131 F159T92-I127 HydrophobicContact CG2-CD1 4.12Å; T92-I127 HydrophobicContact CG2-CG1 4.26Å; L96-I127 HydrophobicContact CD2-CD1 4.17Å; L96-I127 HydrophobicContact CG-CD1 4.49Å; V123-I127 HydrophobicContact CG1-CD1 4.08Å; V123-I127 WeakPolarHBondContact O-CG1 3.3Å; V123-I127 PolarHBondContact O-N 3.35Å; S124-I127 PolarHBondContact O-N 3.05Å; I127-I130 PolarHBondContact O-N 3.48Å; I127-L131 HydrophobicContact CG2-CD1 4.02Å; I127-L131 HydrophobicContact CG2-CG 4.44Å; I127-L131 WeakPolarHBondContact O-CB 3.14Å; I127-L131 WeakPolarHBondContact O-CG 3.41Å; I127-L131 PolarHBondContact O-N 3.17Å; I127-F159 HydrophobicContact CB-CZ 4.08Å; I127-F159 HydrophobicContact CD1-CE2 4.13Å; I127-F159 HydrophobicContact CD1-CZ 4.4Å; I127-F159 HydrophobicContact CG2-CE2 4.21Å; I127-F159 HydrophobicContact CG2-CZ 3.95Å
128V96.6Very high94.9Very high6 Ų648.3 Ų48.34%0.03629%0.286CS..Hα-helixtrans-66.3-42-179.8166.90000112.3L57 L59 S124 G125 F126 L131 K132 F159L57-V128 HydrophobicContact CD1-CB 4.36Å; L57-V128 HydrophobicContact CD1-CG1 3.46Å; L57-V128 VanDerWaalsContact CD1-CG1 3.46Å; L57-V128 HydrophobicContact CD1-CG2 3.89Å; L59-V128 HydrophobicContact CD1-CG2 4.23Å; S124-V128 WeakPolarHBondContact O-CB 3.49Å; S124-V128 VanDerWaalsContact O-CG2 3.29Å; S124-V128 WeakPolarHBondContact O-CG2 3.33Å; S124-V128 PolarHBondContact O-N 2.63Å; G125-V128 PolarHBondContact O-N 2.96Å; F126-V128 VanDerWaalsContact C-N 3.32Å; F126-V128 PolarHBondContact O-N 2.83Å; V128-L131 PolarHBondContact O-N 2.72Å; V128-K132 HydrophobicContact CG1-CD 3.88Å; V128-K132 HydrophobicContact CG1-CG 4.21Å; V128-K132 WeakPolarHBondContact O-CB 3Å; V128-K132 WeakPolarHBondContact O-CG 3.47Å; V128-K132 PolarHBondContact O-N 2.9Å; V128-F159 HydrophobicContact CG2-CE1 3.64Å; V128-F159 HydrophobicContact CG2-CZ 4.15Å
129S95.2Very high95.1Very high58 Ų5850.1 Ų50.141%0.40630%0.296SS..Hα-helixtrans-60.3-47.5176.7176.40000110.8G125 F126 L131 K132 D133G125-S129 VanDerWaalsContact O-CB 3.31Å; G125-S129 WeakPolarHBondContact O-CB 3.5Å; G125-S129 PolarHBondContact O-N 3Å; F126-S129 PolarHBondContact O-N 3.03Å; S129-L131 PolarHBondContact O-N 3.34Å; S129-K132 PolarHBondContact O-N 2.84Å; S129-D133 WeakPolarHBondContact O-CB 3.5Å; S129-D133 PolarHBondContact O-N 2.92Å
130I96.4Very high95.3Very high51 Ų5150.3 Ų50.326%0.26230%0.295SS..Hα-helixtrans-58-50174.9-65.8-63.6000110.5P89 V91 F126 I127 K132 D133 M134P89-I130 HydrophobicContact CB-CG2 4.17Å; V91-I130 HydrophobicContact CG2-CG1 4.42Å; V91-I130 HydrophobicContact CG2-CG2 4.39Å; F126-I130 HydrophobicContact CD1-CG1 4.11Å; F126-I130 HydrophobicContact CE1-CD1 4.42Å; F126-I130 HydrophobicContact CE1-CG1 3.71Å; F126-I130 HydrophobicContact CZ-CD1 4.38Å; F126-I130 HydrophobicContact CZ-CG1 4.14Å; F126-I130 WeakPolarHBondContact O-CG1 3.4Å; F126-I130 PolarHBondContact O-N 3.42Å; F126-I130 VanDerWaalsContact O-N 3.07Å; I127-I130 PolarHBondContact O-N 3.48Å; I130-K132 VanDerWaalsContact C-N 3.35Å; I130-K132 PolarHBondContact O-N 3.27Å; I130-D133 PolarHBondContact O-N 3.3Å; I130-M134 HydrophobicContact CG2-CG 4.04Å; I130-M134 HydrophobicContact CG2-SD 3.38Å; I130-M134 WeakPolarHBondContact CG2-SD 3.23Å; I130-M134 WeakPolarHBondContact O-CB 3.49Å; I130-M134 WeakPolarHBondContact O-CG 3.32Å; I130-M134 PolarHBondContact O-N 3.12Å
131L96.2Very high95.5Very high2 Ų250.8 Ų50.81%0.0130%0.298CS..Hα-helixtrans-60.9-40.7-179.9-74.7177.1000113L59 R84 P89 I127 V128 S129 L141 H143L59-L131 HydrophobicContact CD1-CD1 4.15Å; L59-L131 HydrophobicContact CD2-CD1 4.37Å; R84-L131 VanDerWaalsContact CZ-O 3.25Å; R84-L131 PolarHBondContact NH2-O 2.93Å; P89-L131 HydrophobicContact CG-CD2 4.27Å; I127-L131 HydrophobicContact CG2-CD1 4.02Å; I127-L131 HydrophobicContact CG2-CG 4.44Å; I127-L131 WeakPolarHBondContact O-CB 3.14Å; I127-L131 WeakPolarHBondContact O-CG 3.41Å; I127-L131 PolarHBondContact O-N 3.17Å; V128-L131 PolarHBondContact O-N 2.72Å; S129-L131 PolarHBondContact O-N 3.34Å; L131-L141 HydrophobicContact CB-CD1 4.44Å; L131-H143 HydrophobicContact CD1-CB 4.01Å; L131-H143 HydrophobicContact CD2-CB 3.92Å
132K95Very high95.8Very high86 Ų8647.9 Ų47.937%0.37429%0.285SS..Hα-helixtrans-66-42.8179.7-78.3179.4175.9-177.60111.6V128 S129 I130 L141V128-K132 HydrophobicContact CG1-CD 3.88Å; V128-K132 HydrophobicContact CG1-CG 4.21Å; V128-K132 WeakPolarHBondContact O-CB 3Å; V128-K132 WeakPolarHBondContact O-CG 3.47Å; V128-K132 PolarHBondContact O-N 2.9Å; S129-K132 PolarHBondContact O-N 2.84Å; I130-K132 VanDerWaalsContact C-N 3.35Å; I130-K132 PolarHBondContact O-N 3.27Å; K132-L141 HydrophobicContact CG-CD1 3.79Å
133D94.4Very high95.9Very high130 Ų13045 Ų4570%0.69526%0.261SS*.Hα-helixtrans-93.9-7.1-168.6-59.6-22.6000113.6S129 I130 G135S129-D133 WeakPolarHBondContact O-CB 3.5Å; S129-D133 PolarHBondContact O-N 2.92Å; I130-D133 PolarHBondContact O-N 3.3Å; D133-G135 PolarHBondContact O-N 3.39Å
134M93.9Very high96Very high56 Ų5644.8 Ų44.828%0.27626%0.26SS..THydrogen-bonded Turntrans-71.1-9.7175.7-85.817572.300114.5P87 P89 I130 M261P87-M134 HydrophobicContact CG-CE 3.8Å; P87-M134 VanDerWaalsContact O-CE 3.28Å; P87-M134 WeakPolarHBondContact O-CE 3.38Å; P89-M134 HydrophobicContact CB-CE 4.13Å; P89-M134 HydrophobicContact CB-SD 3.76Å; I130-M134 HydrophobicContact CG2-CG 4.04Å; I130-M134 HydrophobicContact CG2-SD 3.38Å; I130-M134 WeakPolarHBondContact CG2-SD 3.23Å; I130-M134 WeakPolarHBondContact O-CB 3.49Å; I130-M134 WeakPolarHBondContact O-CG 3.32Å; I130-M134 PolarHBondContact O-N 3.12Å; M134-M261 VanDerWaalsContact O-CE 3.31Å; M134-M261 WeakPolarHBondContact O-CE 3.44Å
135G93Very high96Very high23 Ų2344.9 Ų44.924%0.23726%0.26CS..SBendtrans-170.1-173.5-175.200000113.6D133D133-G135 PolarHBondContact O-N 3.39Å
136P93.5Very high95.9Very high82 Ų8244.7 Ų44.753%0.53225%0.254SS..SBendtrans-63.7156.7175.827.8-34.7000111.7R84R84-P136 WeakPolarHBondContact CD-O 3.34Å; R84-P136 PolarHBondContact NE-O 3.09Å
137P94.3Very high95.8Very high128 Ų12842.6 Ų42.683%0.83125%0.25SS*.  trans-62148.2173.428-35000111
138A95.9Very high95.8Very high32 Ų3242.5 Ų42.526%0.26425%0.25SC..  trans-148155.3173.900000109.2R84 R140 L141R84-A138 HydrophobicContact CB-CB 3.65Å; A138-R140 PolarHBondContact O-N 3.01Å; A138-L141 HydrophobicContact CB-CD2 4.09Å
139D95.8Very high95.8Very high124 Ų12442.2 Ų42.266%0.66325%0.248SC*.SBendtrans-61.5-33.6178.5-60.8-30.2000111.6M82M82-D139 HydrophobicContact CB-CB 4.29Å; M82-D139 HydrophobicContact CE-CB 4.28Å; M82-D139 PolarHBondContact O-N 3.46Å
140R97.8Very high95.9Very high27 Ų2741.8 Ų41.810%0.10224%0.241CC..EExtended strand (participates in β ladder)trans-133.6117.9-179.9-162.3147.9-173.5170.5-4.2111.9P58 I60 M82 V83 R84 A138 L241P58-R140 WeakPolarHBondContact O-CG 3.4Å; P58-R140 PolarHBondContact O-NE 2.79Å; I60-R140 HydrophobicContact CD1-CG 3.71Å; I60-R140 HydrophobicContact CG1-CG 3.92Å; M82-R140 PolarHBondContact O-N 2.94Å; V83-R140 WeakPolarHBondContact CA-O 3.23Å; V83-R140 HydrophobicContact CG2-CB 4.33Å; R84-R140 PolarHBondContact N-O 2.86Å; A138-R140 PolarHBondContact O-N 3.01Å; R140-L241 VanDerWaalsContact CZ-O 3.31Å; R140-L241 PolarHBondContact NH1-O 2.64Å
141L98Very high95.9Very high21 Ų2140.8 Ų40.811%0.1123%0.234CC..EExtended strand (participates in β ladder)trans-87.6136.4176.8-49-174.5000110.2L59 I60 R84 L131 K132 A138L59-L141 WeakPolarHBondContact CA-O 3.21Å; L59-L141 HydrophobicContact CD2-CB 3.78Å; I60-L141 PolarHBondContact N-O 3.15Å; R84-L141 VanDerWaalsContact NH2-CB 3.34Å; R84-L141 VanDerWaalsContact NH2-CD1 3.34Å; R84-L141 VanDerWaalsContact NH2-CG 3.28Å; L131-L141 HydrophobicContact CB-CD1 4.44Å; K132-L141 HydrophobicContact CG-CD1 3.79Å; A138-L141 HydrophobicContact CB-CD2 4.09Å
142C98.3Very high96.1Very high0 Ų040.7 Ų40.70%023%0.233CC..EExtended strand (participates in β ladder)trans-115.7146176.5158.10000109.5I60 I62 V83 R84 C85I60-C142 HydrophobicContact CB-CB 3.98Å; I60-C142 HydrophobicContact CD1-CB 4.48Å; I60-C142 CarbonylContact O-C 3.59Å; I60-C142 VanDerWaalsContact O-CA 3.25Å; I60-C142 WeakPolarHBondContact O-CA 3.48Å; I62-C142 VanDerWaalsContact CD1-SG 3.55Å; V83-C142 HydrophobicContact CG1-CB 3.87Å; R84-C142 PolarHBondContact O-N 3.48Å; C85-C142 VanDerWaalsContact CA-CB 3.46Å; C85-C142 WeakPolarHBondContact CA-O 3.39Å; C85-C142 VanDerWaalsContact CA-SG 3.56Å; C85-C142 HydrophobicContact CB-CB 3.67Å; C85-C142 WeakPolarHBondContact CB-SG 3.28Å; C85-C142 VanDerWaalsContact O-O 3.08Å; C85-C142 WeakPolarHBondContact SG-CB 3.43Å; C85-C142 CovalentContact SG-SG 2.04Å; C85-C142 PolarHBondContact SG-SG 2.77Å
143H98Very high96.2Very high1 Ų141.7 Ų41.71%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-126.2119.4178.8176.6-65.2000106.9I60 F61 I62 P89 T92 L131 S148I60-H143 PolarHBondContact O-N 3.18Å; F61-H143 CarbonylContact C-O 3.19Å; F61-H143 WeakPolarHBondContact CA-O 3.48Å; F61-H143 HydrophobicContact CD1-CB 3.58Å; F61-H143 AromaticContact CD1-CG 3.54Å; F61-H143 AromaticContact CD1-ND1 3.55Å; F61-H143 HydrophobicContact CE1-CB 3.67Å; F61-H143 AromaticContact CE1-CD2 3.75Å; F61-H143 AromaticContact CE1-CG 3.52Å; F61-H143 AromaticContact CE1-ND1 3.89Å; F61-H143 HydrophobicContact CG-CB 4.31Å; F61-H143 HydrophobicContact CZ-CB 4.48Å; I62-H143 PolarHBondContact N-O 3.48Å; P89-H143 WeakPolarHBondContact CG-CD2 3.37Å; P89-H143 WeakPolarHBondContact CG-NE2 3.31Å; T92-H143 WeakPolarHBondContact CB-NE2 3.4Å; T92-H143 WeakPolarHBondContact CG2-NE2 3Å; T92-H143 PolarHBondContact OG1-NE2 3.45Å; L131-H143 HydrophobicContact CD1-CB 4.01Å; L131-H143 HydrophobicContact CD2-CB 3.92Å; H143-S148 PolarHBondContact CE1-OG 3.15Å
144K97.4Very high96.3Very high0 Ų035.8 Ų35.80%020%0.203CC..EExtended strand (participates in β ladder)trans-123.2115.7173.2-176.1-88.1-56.1-174.10109.2I62 R74 E88 P146 E266I62-K144 HydrophobicContact CB-CB 4.01Å; I62-K144 HydrophobicContact CB-CG 3.9Å; I62-K144 HydrophobicContact CG2-CG 4.02Å; I62-K144 WeakPolarHBondContact O-CA 3.29Å; R74-K144 HydrophobicContact CB-CB 4.09Å; R74-K144 HydrophobicContact CB-CD 4.43Å; R74-K144 HydrophobicContact CB-CG 3.99Å; R74-K144 HydrophobicContact CG-CB 3.97Å; R74-K144 HydrophobicContact CG-CG 4.36Å; E88-K144 WeakPolarHBondContact CA-O 3.48Å; E88-K144 VanDerWaalsContact CD-NZ 3.33Å; E88-K144 HydrophobicContact CG-CD 4.19Å; E88-K144 WeakPolarHBondContact CG-O 3.36Å; E88-K144 IonicContact OE1-NZ 3Å; E88-K144 PolarHBondContact OE1-NZ 3.42Å; K144-P146 HydrophobicContact CD-CG 4.44Å; K144-E266 IonicContact NZ-OE2 2.72Å; K144-E266 PolarHBondContact NZ-OE2 2.84Å
145D95.9Very high96.5Very high2 Ų233.1 Ų33.11%0.01119%0.19CC..  trans-155.2101.7172.3171.37.6000108.6I62 S147 S148 Y149I62-D145 PolarHBondContact O-N 3.45Å; D145-S147 PolarHBondContact O-N 2.87Å; D145-S147 VanDerWaalsContact O-N 3.16Å; D145-S147 WeakPolarHBondContact OD1-CA 3.31Å; D145-S147 VanDerWaalsContact OD1-CB 3.22Å; D145-S147 WeakPolarHBondContact OD1-CB 3.25Å; D145-S147 PolarHBondContact OD1-N 2.03Å; D145-S147 PolarHBondContact OD1-OG 3.09Å; D145-S147 PolarHBondContact OD2-OG 3.41Å; D145-S148 PolarHBondContact O-N 3.34Å; D145-S148 PolarHBondContact O-OG 3.35Å; D145-S148 PolarHBondContact OD1-N 2.93Å; D145-S148 VanDerWaalsContact OD2-CB 3.27Å; D145-S148 WeakPolarHBondContact OD2-CB 3.33Å; D145-S148 PolarHBondContact OD2-N 3.06Å; D145-Y149 PolarHBondContact O-N 3.42Å
146P95.3Very high96.8Very high22 Ų2232.4 Ų32.414%0.14318%0.183CC..THydrogen-bonded Turntrans-55.5-31.8178.2-2535.8000112.9G64 T70 E88 K144 Y149G64-P146 WeakPolarHBondContact O-CB 3.43Å; T70-P146 HydrophobicContact CG2-CG 4.22Å; T70-P146 WeakPolarHBondContact OG1-CG 3.47Å; E88-P146 WeakPolarHBondContact OE1-CD 3.32Å; K144-P146 HydrophobicContact CD-CG 4.44Å; P146-Y149 PolarHBondContact O-N 2.85Å
147S93.8Very high96.9Very high41 Ų4132 Ų3229%0.28717%0.174SC..THydrogen-bonded Turntrans-73.3-30.3-175.585.60000112.7D145D145-S147 PolarHBondContact O-N 2.87Å; D145-S147 VanDerWaalsContact O-N 3.16Å; D145-S147 WeakPolarHBondContact OD1-CA 3.31Å; D145-S147 VanDerWaalsContact OD1-CB 3.22Å; D145-S147 WeakPolarHBondContact OD1-CB 3.25Å; D145-S147 PolarHBondContact OD1-N 2.03Å; D145-S147 PolarHBondContact OD1-OG 3.09Å; D145-S147 PolarHBondContact OD2-OG 3.41Å
148S96.5Very high97Very high0 Ų025.9 Ų25.90%013%0.134CC..THydrogen-bonded Turntrans-78.3-20.4174.971.30000113.2H143 D145 I150 Y151H143-S148 PolarHBondContact CE1-OG 3.15Å; D145-S148 PolarHBondContact O-N 3.34Å; D145-S148 PolarHBondContact O-OG 3.35Å; D145-S148 PolarHBondContact OD1-N 2.93Å; D145-S148 VanDerWaalsContact OD2-CB 3.27Å; D145-S148 WeakPolarHBondContact OD2-CB 3.33Å; D145-S148 PolarHBondContact OD2-N 3.06Å; S148-I150 PolarHBondContact O-N 3.35Å; S148-I150 VanDerWaalsContact O-N 3.12Å; S148-Y151 WeakPolarHBondContact O-CB 3.47Å; S148-Y151 WeakPolarHBondContact O-CD2 3.36Å; S148-Y151 PolarHBondContact O-N 2.79Å
149Y97.1Very high97.1Very high1 Ų124.4 Ų24.40%0.00412%0.122CC..G310 helixtrans-72.3-10.1-169.6-142-107.7000114.3F61 G63 D145 P146 Y151 L152 F164 I165 H166 I206F61-Y149 HydrophobicContact CB-CE2 4.24Å; G63-Y149 VanDerWaalsContact CA-CD2 3.44Å; G63-Y149 VanDerWaalsContact CA-CG 3.48Å; D145-Y149 PolarHBondContact O-N 3.42Å; P146-Y149 PolarHBondContact O-N 2.85Å; Y149-Y151 PolarHBondContact O-N 2.79Å; Y149-L152 HydrophobicContact CD1-CB 4.32Å; Y149-L152 HydrophobicContact CD1-CD2 4.35Å; Y149-L152 HydrophobicContact CE1-CB 4.39Å; Y149-L152 HydrophobicContact CE1-CD1 4.05Å; Y149-L152 HydrophobicContact CE1-CD2 3.72Å; Y149-L152 HydrophobicContact CE1-CG 4.27Å; Y149-L152 HydrophobicContact CE2-CD1 4.01Å; Y149-L152 WeakPolarHBondContact O-CB 3.06Å; Y149-L152 PolarHBondContact O-N 2.74Å; Y149-F164 HydrophobicContact CE2-CD1 4.44Å; Y149-F164 WeakPolarHBondContact OH-CB 3.31Å; Y149-I165 PolarHBondContact OH-N 2.8Å; Y149-I165 PolarHBondContact OH-O 3.02Å; Y149-I165 VanDerWaalsContact OH-O 3.09Å; Y149-H166 HydrophobicContact CE1-CB 4.11Å; Y149-I206 HydrophobicContact CD1-CD1 4.12Å; Y149-I206 HydrophobicContact CD1-CG1 4.24Å; Y149-I206 HydrophobicContact CD1-CG2 3.52Å; Y149-I206 HydrophobicContact CE1-CG2 3.48Å; Y149-I206 VanDerWaalsContact CE1-CG2 3.48Å
150I96.5Very high97.2Very high48 Ų4821.4 Ų21.425%0.24611%0.109CC..G310 helixtrans-62.8-15165.967176.6000112.7S148 F202S148-I150 PolarHBondContact O-N 3.35Å; S148-I150 VanDerWaalsContact O-N 3.12Å; I150-F202 HydrophobicContact CG2-CD1 4.01Å; I150-F202 HydrophobicContact CG2-CE1 4.24Å
151Y98Very high97.1Very high30 Ų3026 Ų2612%0.11813%0.13CC..G310 helixtrans-104.226.3174.1-60.5-79.7000111.6R93 L96 A97 R100 S148 Y149 R153 D154 L155R93-Y151 HydrophobicContact CG-CE2 4.09Å; L96-Y151 HydrophobicContact CB-CD1 4.14Å; L96-Y151 HydrophobicContact CB-CD2 3.73Å; L96-Y151 HydrophobicContact CB-CE2 4.19Å; L96-Y151 HydrophobicContact CB-CG 3.72Å; L96-Y151 HydrophobicContact CD1-CD2 4.14Å; L96-Y151 HydrophobicContact CD1-CG 4.2Å; A97-Y151 WeakPolarHBondContact CA-OH 3.29Å; A97-Y151 VanDerWaalsContact CB-OH 3.27Å; A97-Y151 WeakPolarHBondContact CB-OH 3.47Å; R100-Y151 HydrophobicContact CB-CE1 4.3Å; S148-Y151 WeakPolarHBondContact O-CB 3.47Å; S148-Y151 WeakPolarHBondContact O-CD2 3.36Å; S148-Y151 PolarHBondContact O-N 2.79Å; Y149-Y151 PolarHBondContact O-N 2.79Å; Y151-R153 PolarHBondContact O-N 3.07Å; Y151-D154 WeakPolarHBondContact O-CB 2.93Å; Y151-D154 PolarHBondContact O-N 2.73Å; Y151-L155 PolarHBondContact O-N 3.35Å
152L98.6Very high97.1Very high0 Ų025 Ų250%012%0.124CC..Hα-helixtrans-50.7-43-178.5173.658000112Y149 L155 G156 F164 I206 D209 C210 I213Y149-L152 HydrophobicContact CD1-CB 4.32Å; Y149-L152 HydrophobicContact CD1-CD2 4.35Å; Y149-L152 HydrophobicContact CE1-CB 4.39Å; Y149-L152 HydrophobicContact CE1-CD1 4.05Å; Y149-L152 HydrophobicContact CE1-CD2 3.72Å; Y149-L152 HydrophobicContact CE1-CG 4.27Å; Y149-L152 HydrophobicContact CE2-CD1 4.01Å; Y149-L152 WeakPolarHBondContact O-CB 3.06Å; Y149-L152 PolarHBondContact O-N 2.74Å; L152-L155 PolarHBondContact O-N 2.93Å; L152-G156 PolarHBondContact O-N 3.47Å; L152-F164 HydrophobicContact CD1-CB 4.03Å; L152-F164 HydrophobicContact CD1-CD1 3.26Å; L152-F164 HydrophobicContact CD1-CE1 3.86Å; L152-F164 HydrophobicContact CD1-CG 3.7Å; L152-I206 HydrophobicContact CD2-CG2 3.8Å; L152-D209 HydrophobicContact CB-CB 4.02Å; L152-D209 HydrophobicContact CD2-CB 3.9Å; L152-D209 HydrophobicContact CG-CB 4Å; L152-C210 HydrophobicContact CD2-CB 4.05Å; L152-I213 HydrophobicContact CD1-CD1 3.56Å; L152-I213 HydrophobicContact CD2-CD1 4.3Å; L152-I213 HydrophobicContact CG-CD1 3.59Å
153R97.4Very high97.2Very high107 Ų10726.3 Ų26.340%0.40413%0.13SC..Hα-helixtrans-60.3-46.7176.4-176.1169.4178.5164.42.3113Y151 L155 G156 E157 D209 H212Y151-R153 PolarHBondContact O-N 3.07Å; R153-L155 VanDerWaalsContact C-N 3.33Å; R153-L155 PolarHBondContact O-N 3.08Å; R153-G156 WeakPolarHBondContact O-CA 3.09Å; R153-G156 PolarHBondContact O-N 2.04Å; R153-G156 VanDerWaalsContact O-N 3.09Å; R153-E157 IonicContact NE-OE1 2.65Å; R153-E157 PolarHBondContact O-N 3.45Å; R153-E157 VanDerWaalsContact O-N 3.09Å; R153-D209 HydrophobicContact CB-CB 4.37Å; R153-H212 PolarHBondContact NE-NE2 3.34Å
154D97.5Very high97.2Very high6 Ų626.3 Ų26.33%0.03213%0.13CC..Hα-helixtrans-61.6-41.6176.5-57.8-110.2000111.4L96 R99 R100 Y151 G156 E157 L158L96-D154 HydrophobicContact CD2-CB 4.44Å; R99-D154 IonicContact NH1-OD1 3.16Å; R99-D154 PolarHBondContact NH1-OD1 3.5Å; R100-D154 IonicContact CZ-OD2 3.97Å; R100-D154 IonicContact NE-OD1 3.55Å; R100-D154 IonicContact NE-OD2 3.87Å; R100-D154 PolarHBondContact NE-OD2 3.46Å; R100-D154 IonicContact NH2-OD1 3.61Å; R100-D154 IonicContact NH2-OD2 3.22Å; R100-D154 PolarHBondContact NH2-OD2 2.74Å; Y151-D154 WeakPolarHBondContact O-CB 2.93Å; Y151-D154 PolarHBondContact O-N 2.73Å; D154-G156 VanDerWaalsContact C-N 3.25Å; D154-G156 PolarHBondContact O-N 3.5Å; D154-E157 PolarHBondContact O-N 3.05Å; D154-L158 WeakPolarHBondContact O-CB 3.42Å; D154-L158 VanDerWaalsContact O-CG 3.23Å; D154-L158 WeakPolarHBondContact O-CG 3.38Å; D154-L158 PolarHBondContact O-N 2.95Å
155L98.3Very high97.3Very high0 Ų026.3 Ų26.30%013%0.13CC..Hα-helixtrans-61-38.2174.1-70.7169.6000111.5F61 L96 Y151 L152 R153 E157 L158 F159 F164F61-L155 HydrophobicContact CD1-CD1 3.99Å; F61-L155 HydrophobicContact CD1-CD2 4.16Å; F61-L155 HydrophobicContact CE1-CD1 4.35Å; F61-L155 HydrophobicContact CE1-CD2 3.66Å; F61-L155 HydrophobicContact CZ-CD2 4.04Å; L96-L155 HydrophobicContact CD1-CD1 4.37Å; L96-L155 HydrophobicContact CD1-CD2 3.83Å; L96-L155 HydrophobicContact CD1-CG 3.98Å; L96-L155 HydrophobicContact CD2-CD2 4.07Å; L96-L155 HydrophobicContact CD2-CG 4.47Å; Y151-L155 PolarHBondContact O-N 3.35Å; L152-L155 PolarHBondContact O-N 2.93Å; R153-L155 VanDerWaalsContact C-N 3.33Å; R153-L155 PolarHBondContact O-N 3.08Å; L155-E157 VanDerWaalsContact C-N 3.32Å; L155-E157 PolarHBondContact O-N 3.25Å; L155-L158 PolarHBondContact O-N 3.49Å; L155-F159 HydrophobicContact CD2-CD2 4.38Å; L155-F159 HydrophobicContact CD2-CE2 4.28Å; L155-F159 PolarHBondContact O-N 3.33Å; L155-F164 HydrophobicContact CB-CE1 3.68Å; L155-F164 HydrophobicContact CB-CZ 4.12Å
156G98Very high97.4Very high8 Ų826.2 Ų26.28%0.08213%0.13CC..Hα-helixtrans-61.6-36.5175.400000113.6L152 R153 D154 R217L152-G156 PolarHBondContact O-N 3.47Å; R153-G156 WeakPolarHBondContact O-CA 3.09Å; R153-G156 PolarHBondContact O-N 2.04Å; R153-G156 VanDerWaalsContact O-N 3.09Å; D154-G156 VanDerWaalsContact C-N 3.25Å; D154-G156 PolarHBondContact O-N 3.5Å; G156-R217 VanDerWaalsContact CA-NH2 3.29Å; G156-R217 PolarHBondContact O-NH2 3.38Å
157E96.3Very high97.5Very high74 Ų7425.2 Ų25.235%0.34612%0.124SC..Hα-helixtrans-75.2-42.4175.7-66.9165.2-173.900112.1R55 R99 R153 D154 L155R55-E157 PolarHBondContact NH2-O 3.15Å; R99-E157 IonicContact CZ-OE2 2.89Å; R99-E157 IonicContact NH1-OE2 3.75Å; R99-E157 PolarHBondContact NH1-OE2 3.45Å; R99-E157 IonicContact NH2-OE2 3.93Å; R99-E157 PolarHBondContact NH2-OE2 3.25Å; R153-E157 IonicContact NE-OE1 2.65Å; R153-E157 PolarHBondContact O-N 3.45Å; R153-E157 VanDerWaalsContact O-N 3.09Å; D154-E157 PolarHBondContact O-N 3.05Å; L155-E157 VanDerWaalsContact C-N 3.32Å; L155-E157 PolarHBondContact O-N 3.25Å
158L97Very high97.7Very high0 Ų023.3 Ų23.30%011%0.11CC..Hα-helixtrans-67.7-38.5-178.9-71.5168.2000111.9R55 L96 D120 V123 S124 D154 L155 P160R55-L158 WeakPolarHBondContact CB-O 3.33Å; R55-L158 WeakPolarHBondContact CG-O 3.48Å; R55-L158 PolarHBondContact NE-O 2.86Å; L96-L158 HydrophobicContact CD2-CD1 3.48Å; L96-L158 VanDerWaalsContact CD2-CD1 3.48Å; D120-L158 HydrophobicContact CB-CD2 3.83Å; V123-L158 HydrophobicContact CB-CD2 4.37Å; V123-L158 HydrophobicContact CG1-CD1 3.74Å; V123-L158 HydrophobicContact CG1-CD2 4.09Å; S124-L158 WeakPolarHBondContact OG-CD2 3.4Å; D154-L158 WeakPolarHBondContact O-CB 3.42Å; D154-L158 VanDerWaalsContact O-CG 3.23Å; D154-L158 WeakPolarHBondContact O-CG 3.38Å; D154-L158 PolarHBondContact O-N 2.95Å; L155-L158 PolarHBondContact O-N 3.49Å; L158-P160 WeakPolarHBondContact O-CD 3.36Å
159F97.8Very high97.8Very high0 Ų023.9 Ų23.90%011%0.112CC..  trans-122.981.9-176.4-57.4-76.4000112.5L59 F61 I127 V128 L155 K161 A162 R217L59-F159 HydrophobicContact CD1-CD1 3.66Å; L59-F159 HydrophobicContact CD1-CE1 3.67Å; L59-F159 HydrophobicContact CD1-CG 4.13Å; L59-F159 HydrophobicContact CD1-CZ 4.14Å; F61-F159 HydrophobicContact CE2-CB 4.27Å; F61-F159 AromaticContact CE2-CD2 3.77Å; F61-F159 HydrophobicContact CE2-CD2 3.77Å; F61-F159 HydrophobicContact CE2-CE2 4.35Å; F61-F159 HydrophobicContact CE2-CG 4.06Å; F61-F159 AromaticContact CZ-CD2 3.57Å; F61-F159 HydrophobicContact CZ-CD2 3.57Å; F61-F159 AromaticContact CZ-CE2 3.7Å; F61-F159 HydrophobicContact CZ-CE2 3.7Å; F61-F159 HydrophobicContact CZ-CG 4.21Å; F61-F159 HydrophobicContact CZ-CZ 4.43Å; I127-F159 HydrophobicContact CB-CZ 4.08Å; I127-F159 HydrophobicContact CD1-CE2 4.13Å; I127-F159 HydrophobicContact CD1-CZ 4.4Å; I127-F159 HydrophobicContact CG2-CE2 4.21Å; I127-F159 HydrophobicContact CG2-CZ 3.95Å; V128-F159 HydrophobicContact CG2-CE1 3.64Å; V128-F159 HydrophobicContact CG2-CZ 4.15Å; L155-F159 HydrophobicContact CD2-CD2 4.38Å; L155-F159 HydrophobicContact CD2-CE2 4.28Å; L155-F159 PolarHBondContact O-N 3.33Å; F159-K161 PolarHBondContact O-N 2.98Å; F159-A162 HydrophobicContact CB-CB 3.61Å; F159-A162 WeakPolarHBondContact O-CB 3.43Å; F159-A162 PolarHBondContact O-N 2.7Å; F159-A162 VanDerWaalsContact O-N 3.15Å; F159-R217 PolarHBondContact O-NH1 2.67Å
160P96.8Very high97.8Very high62 Ų6223.9 Ų23.940%0.40311%0.112SC..THydrogen-bonded Turntrans-62.9-22.1-177.4-25.635.9000115.3R55 L158 R217R55-P160 WeakPolarHBondContact O-CD 3.12Å; L158-P160 WeakPolarHBondContact O-CD 3.36Å; P160-R217 PolarHBondContact O-NH1 3.12Å
161K96.9Very high97.9Very high123 Ų12321.6 Ų21.654%0.53510%0.1SC..THydrogen-bonded Turntrans-1010.7177.9-67.7-176.8-179.4174.90114.2N56 F159N56-K161 HydrophobicContact CB-CD 3.9Å; N56-K161 WeakPolarHBondContact O-CB 3.12Å; N56-K161 WeakPolarHBondContact O-CD 3.23Å; F159-K161 PolarHBondContact O-N 2.98Å
162A98.4Very high97.8Very high0 Ų020.1 Ų20.10%010%0.095CC..  trans-73.3155.3176.300000112.5L59 F61 F159 F164 R217L59-A162 HydrophobicContact CB-CB 4.1Å; L59-A162 CarbonylContact O-C 3.52Å; L59-A162 VanDerWaalsContact O-CA 3.24Å; L59-A162 WeakPolarHBondContact O-CA 3.28Å; L59-A162 WeakPolarHBondContact O-CB 3.31Å; F61-A162 HydrophobicContact CD2-CB 3.85Å; F61-A162 HydrophobicContact CE2-CB 3.81Å; F159-A162 HydrophobicContact CB-CB 3.61Å; F159-A162 WeakPolarHBondContact O-CB 3.43Å; F159-A162 PolarHBondContact O-N 2.7Å; F159-A162 VanDerWaalsContact O-N 3.15Å; A162-F164 HydrophobicContact CB-CE2 4.02Å; A162-F164 HydrophobicContact CB-CZ 3.91Å; A162-R217 PolarHBondContact O-NH1 3.48Å
163K98.8Very high97.8Very high28 Ų2820.2 Ų20.212%0.12210%0.095CC..EExtended strand (participates in β ladder)trans-114144.3169.1-70.7-171.5170.5175.60110.3L59 I60 F61 R217 F240 L241 D242L59-K163 PolarHBondContact O-N 3.24Å; I60-K163 CarbonylContact C-O 3.48Å; I60-K163 WeakPolarHBondContact CA-O 3.42Å; F61-K163 PolarHBondContact N-O 3.13Å; K163-R217 CarbonylContact C-O 3.42Å; K163-R217 WeakPolarHBondContact CA-O 3.28Å; K163-F240 HydrophobicContact CB-CE1 3.94Å; K163-F240 HydrophobicContact CB-CZ 3.97Å; K163-F240 HydrophobicContact CD-CE1 4.34Å; K163-F240 HydrophobicContact CD-CE2 4.47Å; K163-F240 HydrophobicContact CD-CZ 4.23Å; K163-F240 WeakPolarHBondContact CD-O 3.14Å; K163-F240 VanDerWaalsContact CE-O 3.29Å; K163-F240 WeakPolarHBondContact CE-O 3.38Å; K163-F240 HydrophobicContact CG-CZ 4.27Å; K163-F240 PolarHBondContact NZ-O 3.13Å; K163-L241 HydrophobicContact CB-CD2 3.83Å; K163-L241 HydrophobicContact CD-CD2 4.25Å; K163-D242 IonicContact NZ-OD1 3.9Å; K163-D242 PolarHBondContact NZ-OD1 2.99Å; K163-D242 IonicContact NZ-OD2 2.67Å; K163-D242 PolarHBondContact NZ-OD2 2.6Å
164F98.8Very high97.8Very high0 Ų015.1 Ų15.10%08%0.076CC..EExtended strand (participates in β ladder)trans-121.3129.3-169.2-62.9-84.9000109.8F61 Y149 L152 L155 A162 I213 R217 C218 M219F61-F164 HydrophobicContact CB-CD1 3.5Å; F61-F164 HydrophobicContact CB-CE1 3.72Å; F61-F164 HydrophobicContact CB-CG 4.49Å; F61-F164 HydrophobicContact CD2-CD1 4.15Å; F61-F164 AromaticContact CD2-CE1 3.55Å; F61-F164 HydrophobicContact CD2-CE1 3.55Å; F61-F164 HydrophobicContact CD2-CZ 4.07Å; F61-F164 HydrophobicContact CE2-CE1 4.34Å; F61-F164 HydrophobicContact CG-CD1 4.09Å; F61-F164 AromaticContact CG-CE1 3.76Å; F61-F164 HydrophobicContact CG-CE1 3.76Å; F61-F164 CarbonylContact O-C 3.46Å; F61-F164 WeakPolarHBondContact O-CA 3.46Å; Y149-F164 HydrophobicContact CE2-CD1 4.44Å; Y149-F164 WeakPolarHBondContact OH-CB 3.31Å; L152-F164 HydrophobicContact CD1-CB 4.03Å; L152-F164 HydrophobicContact CD1-CD1 3.26Å; L152-F164 HydrophobicContact CD1-CE1 3.86Å; L152-F164 HydrophobicContact CD1-CG 3.7Å; L155-F164 HydrophobicContact CB-CE1 3.68Å; L155-F164 HydrophobicContact CB-CZ 4.12Å; A162-F164 HydrophobicContact CB-CE2 4.02Å; A162-F164 HydrophobicContact CB-CZ 3.91Å; F164-I213 HydrophobicContact CD2-CD1 4.13Å; F164-I213 HydrophobicContact CD2-CG2 3.99Å; F164-I213 HydrophobicContact CE2-CD1 4.25Å; F164-I213 HydrophobicContact CE2-CG2 4.36Å; F164-I213 HydrophobicContact CG-CD1 4.42Å; F164-R217 WeakPolarHBondContact CD2-O 3.37Å; F164-R217 PolarHBondContact N-O 2.77Å; F164-C218 HydrophobicContact CB-CB 3.99Å; F164-C218 CarbonylContact O-C 3.55Å; F164-C218 WeakPolarHBondContact O-CA 2.87Å; F164-M219 PolarHBondContact O-N 3.07Å
165I98.7Very high97.8Very high0 Ų014.8 Ų14.80%08%0.075CC..EExtended strand (participates in β ladder)trans-113.1114.3173-60.8173.3000108.6I60 F61 I62 G63 L73 L77 Y149 M219 V221 I237 F240 L241I60-I165 HydrophobicContact CG2-CD1 4.26Å; F61-I165 PolarHBondContact O-N 3.31Å; I62-I165 WeakPolarHBondContact CA-O 3.09Å; I62-I165 HydrophobicContact CG1-CB 4.39Å; I62-I165 HydrophobicContact CG1-CD1 4.48Å; G63-I165 PolarHBondContact N-O 3.22Å; L73-I165 HydrophobicContact CD1-CG2 3.78Å; L73-I165 HydrophobicContact CD2-CG2 4.32Å; L77-I165 HydrophobicContact CD1-CD1 4.05Å; Y149-I165 PolarHBondContact OH-N 2.8Å; Y149-I165 PolarHBondContact OH-O 3.02Å; Y149-I165 VanDerWaalsContact OH-O 3.09Å; I165-M219 WeakPolarHBondContact CA-O 3.4Å; I165-V221 HydrophobicContact CG2-CB 4.36Å; I165-V221 HydrophobicContact CG2-CG2 3.77Å; I165-I237 HydrophobicContact CD1-CG2 3.72Å; I165-F240 HydrophobicContact CG1-CE1 4.19Å; I165-L241 HydrophobicContact CD1-CD1 4.01Å; I165-L241 HydrophobicContact CD1-CD2 4.27Å; I165-L241 HydrophobicContact CD1-CG 4.37Å
166H98.5Very high97.8Very high0 Ų016 Ų160%08%0.08CC..EExtended strand (participates in β ladder)trans-95.5106.6174.4176-148.9000110.1Y149 V168 I206 M219 T220 V221Y149-H166 HydrophobicContact CE1-CB 4.11Å; H166-V168 WeakPolarHBondContact CE1-CG2 3.37Å; H166-V168 WeakPolarHBondContact NE2-CG2 3.22Å; H166-I206 HydrophobicContact CB-CG2 4.25Å; H166-I206 WeakPolarHBondContact CD2-CG2 3.02Å; H166-I206 WeakPolarHBondContact NE2-CG2 3.13Å; H166-M219 PolarHBondContact N-O 2.95Å; H166-T220 PolarHBondContact ND1-OG1 3.27Å; H166-T220 CarbonylContact O-C 3.52Å; H166-T220 VanDerWaalsContact O-CA 3.31Å; H166-T220 WeakPolarHBondContact O-CA 3.42Å; H166-V221 PolarHBondContact O-N 3.04Å
167A98.5Very high97.8Very high2 Ų216.3 Ų16.32%0.0178%0.082CC..EExtended strand (participates in β ladder)trans-77123.8173.200000110.5G63 S68 T70 L73G63-A167 PolarHBondContact O-N 3.28Å; S68-A167 WeakPolarHBondContact CB-O 3.4Å; S68-A167 PolarHBondContact OG-O 3.48Å; T70-A167 HydrophobicContact CG2-CB 3.69Å; L73-A167 HydrophobicContact CD1-CB 3.65Å
168V98.1Very high97.8Very high1 Ų112.8 Ų12.81%0.0067%0.065CC..EExtended strand (participates in β ladder)trans-121.3144.6175.6175.20000108.9H166 T203 T220 V221 R222 Y223 L309 Y311H166-V168 WeakPolarHBondContact CE1-CG2 3.37Å; H166-V168 WeakPolarHBondContact NE2-CG2 3.22Å; V168-T203 HydrophobicContact CG1-CG2 4.38Å; V168-T203 HydrophobicContact CG2-CG2 4.15Å; V168-T220 HydrophobicContact CB-CG2 4.09Å; V168-T220 HydrophobicContact CG2-CG2 3.53Å; V168-V221 PolarHBondContact N-O 3.27Å; V168-R222 CarbonylContact O-C 3.3Å; V168-R222 WeakPolarHBondContact O-CA 3.32Å; V168-Y223 PolarHBondContact O-N 3.28Å; V168-L309 HydrophobicContact CG1-CD1 3.62Å; V168-L309 HydrophobicContact CG1-CD2 4.18Å; V168-L309 HydrophobicContact CG1-CG 4.5Å; V168-Y311 HydrophobicContact CG1-CE2 4.44Å
169R97.9Very high97.8Very high12 Ų1213.9 Ų13.95%0.0457%0.071CC..  trans-141.1154.9176.6-176.8-177.6-179.31697.3108.3S67 G171 A174 W199 Y223 E224 S280S67-R169 WeakPolarHBondContact O-CD 3.46Å; S67-R169 PolarHBondContact O-NH1 3.02Å; S67-R169 VanDerWaalsContact O-NH1 3.09Å; R169-G171 PolarHBondContact O-N 2.94Å; R169-G171 VanDerWaalsContact O-N 3.08Å; R169-A174 HydrophobicContact CB-CB 4.43Å; R169-A174 HydrophobicContact CG-CB 4.49Å; R169-W199 WeakPolarHBondContact O-CZ2 3.4Å; R169-Y223 HydrophobicContact CB-CG 4.47Å; R169-Y223 HydrophobicContact CG-CD1 3.76Å; R169-Y223 HydrophobicContact CG-CG 4.12Å; R169-E224 WeakPolarHBondContact CA-OE1 3.4Å; R169-E224 WeakPolarHBondContact CG-OE1 3.31Å; R169-S280 PolarHBondContact NH2-O 2.98Å; R169-S280 PolarHBondContact NH2-OG 3.17Å
170D97.6Very high97.7Very high0 Ų018.3 Ų18.30%010%0.098CC..  trans-45.1116.7164.9-172.2-33.4000109.7R172 G173 A174 E224 Y311 Y320D170-R172 PolarHBondContact O-N 2.98Å; D170-R172 VanDerWaalsContact O-N 3.1Å; D170-R172 WeakPolarHBondContact OD1-CB 3.42Å; D170-R172 IonicContact OD1-CZ 2.73Å; D170-R172 PolarHBondContact OD1-N 3.09Å; D170-R172 IonicContact OD1-NE 2.77Å; D170-R172 PolarHBondContact OD1-NE 3.29Å; D170-R172 IonicContact OD1-NH2 3.24Å; D170-R172 PolarHBondContact OD1-NH2 2.95Å; D170-R172 IonicContact OD2-CZ 3.73Å; D170-R172 IonicContact OD2-NE 2.84Å; D170-R172 PolarHBondContact OD2-NE 2.98Å; D170-R172 IonicContact OD2-NH2 3.86Å; D170-R172 PolarHBondContact OD2-NH2 3.06Å; D170-G173 PolarHBondContact O-N 2.88Å; D170-A174 PolarHBondContact O-N 3Å; D170-E224 WeakPolarHBondContact CB-OE1 3.42Å; D170-E224 PolarHBondContact N-OE1 3.47Å; D170-Y311 HydrophobicContact CB-CD1 3.89Å; D170-Y311 HydrophobicContact CB-CD2 4.44Å; D170-Y311 HydrophobicContact CB-CE1 3.94Å; D170-Y311 HydrophobicContact CB-CE2 4.5Å; D170-Y311 HydrophobicContact CB-CG 4.16Å; D170-Y320 HydrophobicContact CB-CE1 4.11Å; D170-Y320 PolarHBondContact OD2-OH 3.2Å
171G97.5Very high97.6Very high0 Ų019 Ų190%09%0.092CC..Hα-helixtrans-54.5-32.8-176.200000112.9R169 A174 I175 W199R169-G171 PolarHBondContact O-N 2.94Å; R169-G171 VanDerWaalsContact O-N 3.08Å; G171-A174 PolarHBondContact O-N 3.4Å; G171-I175 WeakPolarHBondContact O-CG1 3.48Å; G171-I175 WeakPolarHBondContact O-CG2 3.27Å; G171-I175 PolarHBondContact O-N 3.5Å; G171-W199 VanDerWaalsContact CA-CD2 3.46Å
172R97.2Very high97.5Very high0 Ų019 Ų190%010%0.098CC..Hα-helixtrans-66-46.4177.9-64.8160.1-62.5-154.710111.5D170 I175 M176 W284 M299 H300 L306 Y311D170-R172 PolarHBondContact O-N 2.98Å; D170-R172 VanDerWaalsContact O-N 3.1Å; D170-R172 WeakPolarHBondContact OD1-CB 3.42Å; D170-R172 IonicContact OD1-CZ 2.73Å; D170-R172 PolarHBondContact OD1-N 3.09Å; D170-R172 IonicContact OD1-NE 2.77Å; D170-R172 PolarHBondContact OD1-NE 3.29Å; D170-R172 IonicContact OD1-NH2 3.24Å; D170-R172 PolarHBondContact OD1-NH2 2.95Å; D170-R172 IonicContact OD2-CZ 3.73Å; D170-R172 IonicContact OD2-NE 2.84Å; D170-R172 PolarHBondContact OD2-NE 2.98Å; D170-R172 IonicContact OD2-NH2 3.86Å; D170-R172 PolarHBondContact OD2-NH2 3.06Å; R172-I175 WeakPolarHBondContact O-CG1 3.4Å; R172-M176 WeakPolarHBondContact O-CB 3.4Å; R172-M176 PolarHBondContact O-N 2.67Å; R172-M176 VanDerWaalsContact O-N 3.13Å; R172-W284 HydrophobicContact CB-CB 4.47Å; R172-W284 HydrophobicContact CB-CD2 3.57Å; R172-W284 HydrophobicContact CB-CE3 3.71Å; R172-W284 HydrophobicContact CB-CG 3.93Å; R172-W284 HydrophobicContact CB-CZ2 4.4Å; R172-W284 HydrophobicContact CB-CZ3 4.21Å; R172-W284 HydrophobicContact CG-CE3 4.27Å; R172-W284 HydrophobicContact CG-CZ3 4.34Å; R172-M299 HydrophobicContact CB-CE 4.17Å; R172-M299 HydrophobicContact CG-CB 4.25Å; R172-M299 HydrophobicContact CG-CE 3.52Å; R172-M299 HydrophobicContact CG-SD 4.45Å; R172-H300 PolarHBondContact NH1-CE1 2.97Å; R172-H300 VanDerWaalsContact NH1-CE1 3.33Å; R172-H300 PolarHBondContact NH1-ND1 3.34Å; R172-L306 HydrophobicContact CG-CD1 4.19Å; R172-Y311 PolarHBondContact NH2-O 3.15Å
173G97.7Very high97.3Very high1 Ų121.3 Ų21.31%0.0111%0.11CC..Hα-helixtrans-66.5-38.9174.700000112.4D170 S177D170-G173 PolarHBondContact O-N 2.88Å; G173-S177 VanDerWaalsContact O-CB 3.31Å; G173-S177 WeakPolarHBondContact O-CB 3.46Å; G173-S177 PolarHBondContact O-N 2.94Å
174A98Very high97.1Very high0 Ų021.5 Ų21.50%011%0.112CC..Hα-helixtrans-64.7-50.9178.800000112.1S67 R169 D170 G171 S177 T178S67-A174 WeakPolarHBondContact CB-O 3.07Å; R169-A174 HydrophobicContact CB-CB 4.43Å; R169-A174 HydrophobicContact CG-CB 4.49Å; D170-A174 PolarHBondContact O-N 3Å; G171-A174 PolarHBondContact O-N 3.4Å; A174-S177 PolarHBondContact O-N 3.19Å; A174-T178 PolarHBondContact O-N 2.88Å; A174-T178 PolarHBondContact O-OG1 3.23Å
175I97.8Very high96.9Very high0 Ų026.3 Ų26.30%014%0.143CC..Hα-helixtrans-67.1-40.3-179.870.3175.5000111.7G171 R172 S177 T178 I179 Y187 I192 A195 L196 W199 M299G171-I175 WeakPolarHBondContact O-CG1 3.48Å; G171-I175 WeakPolarHBondContact O-CG2 3.27Å; G171-I175 PolarHBondContact O-N 3.5Å; R172-I175 WeakPolarHBondContact O-CG1 3.4Å; I175-S177 VanDerWaalsContact C-N 3.31Å; I175-S177 PolarHBondContact O-N 3.48Å; I175-T178 WeakPolarHBondContact O-CB 3.42Å; I175-T178 PolarHBondContact O-N 2.97Å; I175-T178 VanDerWaalsContact O-N 3.16Å; I175-I179 VanDerWaalsContact O-CG1 3.31Å; I175-I179 WeakPolarHBondContact O-CG1 3.38Å; I175-I179 PolarHBondContact O-N 2.96Å; I175-Y187 HydrophobicContact CG2-CD2 4.47Å; I175-Y187 HydrophobicContact CG2-CE2 4.27Å; I175-I192 HydrophobicContact CD1-CG2 3.56Å; I175-I192 WeakPolarHBondContact CD1-O 3.38Å; I175-A195 HydrophobicContact CB-CB 4.35Å; I175-A195 HydrophobicContact CG2-CB 4.25Å; I175-L196 HydrophobicContact CD1-CB 3.99Å; I175-L196 HydrophobicContact CD1-CD1 4.28Å; I175-W199 HydrophobicContact CG2-CB 3.99Å; I175-M299 HydrophobicContact CD1-CE 3.22Å; I175-M299 HydrophobicContact CD1-SD 4.47Å; I175-M299 HydrophobicContact CG1-CE 4.19Å
176M97.5Very high96.7Very high24 Ų2430 Ų3012%0.11817%0.166CC..Hα-helixtrans-59.4-46.5177.3-171.8-15464.200110R172 T178 I179 V180 A283 W284 I290 I291R172-M176 WeakPolarHBondContact O-CB 3.4Å; R172-M176 PolarHBondContact O-N 2.67Å; R172-M176 VanDerWaalsContact O-N 3.13Å; M176-T178 VanDerWaalsContact C-N 3.32Å; M176-T178 PolarHBondContact O-N 3.46Å; M176-I179 PolarHBondContact O-N 3.35Å; M176-V180 HydrophobicContact CG-CG2 4.25Å; M176-V180 WeakPolarHBondContact O-CB 3.32Å; M176-V180 VanDerWaalsContact O-CG2 3.3Å; M176-V180 WeakPolarHBondContact O-CG2 3.47Å; M176-V180 PolarHBondContact O-N 2.94Å; M176-A283 HydrophobicContact CE-CB 3.79Å; M176-A283 HydrophobicContact SD-CB 4.46Å; M176-W284 HydrophobicContact CB-CB 4.15Å; M176-W284 HydrophobicContact CG-CB 4.46Å; M176-W284 WeakPolarHBondContact SD-CA 3.37Å; M176-W284 HydrophobicContact SD-CB 3.83Å; M176-I290 HydrophobicContact CG-CD1 4.16Å; M176-I290 HydrophobicContact CG-CG1 3.73Å; M176-I291 HydrophobicContact CB-CD1 4.05Å; M176-I291 HydrophobicContact CB-CG1 4.43Å; M176-I291 HydrophobicContact CG-CD1 4.48Å; M176-I291 HydrophobicContact CG-CG1 4.38Å
177S97.3Very high96.6Very high16 Ų1630.3 Ų30.311%0.11217%0.167CC..Hα-helixtrans-61.4-40.7177.8-171.40000112G173 A174 I175 R181G173-S177 VanDerWaalsContact O-CB 3.31Å; G173-S177 WeakPolarHBondContact O-CB 3.46Å; G173-S177 PolarHBondContact O-N 2.94Å; A174-S177 PolarHBondContact O-N 3.19Å; I175-S177 VanDerWaalsContact C-N 3.31Å; I175-S177 PolarHBondContact O-N 3.48Å; S177-R181 VanDerWaalsContact O-CB 3.27Å; S177-R181 WeakPolarHBondContact O-CB 3.37Å; S177-R181 WeakPolarHBondContact O-CD 3.45Å; S177-R181 WeakPolarHBondContact O-CG 3.43Å; S177-R181 PolarHBondContact O-N 2.95Å; S177-R181 VanDerWaalsContact O-N 3.12Å; S177-R181 PolarHBondContact OG-NH1 3.03Å
178T97.3Very high96.5Very high0 Ų032.6 Ų32.60%018%0.181CC..Hα-helixtrans-63.5-44.4177.3-64.10000112.4Q66 S67 A174 I175 M176 N182 I183 N184 Y187Q66-T178 HydrophobicContact CG-CG2 4.2Å; S67-T178 WeakPolarHBondContact CB-OG1 3.44Å; S67-T178 PolarHBondContact OG-OG1 2.82Å; A174-T178 PolarHBondContact O-N 2.88Å; A174-T178 PolarHBondContact O-OG1 3.23Å; I175-T178 WeakPolarHBondContact O-CB 3.42Å; I175-T178 PolarHBondContact O-N 2.97Å; I175-T178 VanDerWaalsContact O-N 3.16Å; M176-T178 VanDerWaalsContact C-N 3.32Å; M176-T178 PolarHBondContact O-N 3.46Å; T178-N182 PolarHBondContact O-N 3.2Å; T178-N182 VanDerWaalsContact O-N 3.15Å; T178-I183 HydrophobicContact CG2-CB 4.11Å; T178-I183 PolarHBondContact O-N 3.35Å; T178-N184 HydrophobicContact CG2-CB 3.78Å; T178-Y187 HydrophobicContact CG2-CD2 3.54Å; T178-Y187 HydrophobicContact CG2-CE2 4.24Å; T178-Y187 HydrophobicContact CG2-CG 4.02Å
179I97.4Very high96.3Very high23 Ų2335.9 Ų35.912%0.11820%0.204CC..Hα-helixtrans-66.9-53.9179.1-64.1163.5000110.2I175 M176 R181 N182 I192 I290I175-I179 VanDerWaalsContact O-CG1 3.31Å; I175-I179 WeakPolarHBondContact O-CG1 3.38Å; I175-I179 PolarHBondContact O-N 2.96Å; M176-I179 PolarHBondContact O-N 3.35Å; I179-R181 PolarHBondContact O-N 3.47Å; I179-N182 PolarHBondContact O-N 2.94Å; I179-I192 HydrophobicContact CD1-CG1 3.94Å; I179-I290 HydrophobicContact CB-CD1 3.78Å; I179-I290 HydrophobicContact CD1-CD1 4.33Å; I179-I290 HydrophobicContact CG2-CD1 3.48Å; I179-I290 VanDerWaalsContact CG2-CD1 3.48Å
180V96Very high96.2Very high93 Ų9342.6 Ų42.656%0.56424%0.241SC*.Hα-helixtrans-59.6-34.4-176.5170.70000112.1M176 I290M176-V180 HydrophobicContact CG-CG2 4.25Å; M176-V180 WeakPolarHBondContact O-CB 3.32Å; M176-V180 VanDerWaalsContact O-CG2 3.3Å; M176-V180 WeakPolarHBondContact O-CG2 3.47Å; M176-V180 PolarHBondContact O-N 2.94Å; V180-I290 HydrophobicContact CG2-CD1 3.67Å; V180-I290 HydrophobicContact CG2-CG1 4Å; V180-I290 HydrophobicContact CG2-CG2 4.13Å
181R94.6Very high96.2Very high77 Ų7746.3 Ų46.329%0.29126%0.261SS..THydrogen-bonded Turntrans-93.63.6-179.8-65.1164.960.7-153.9-0.7113.3S177 I179 I183 A267S177-R181 VanDerWaalsContact O-CB 3.27Å; S177-R181 WeakPolarHBondContact O-CB 3.37Å; S177-R181 WeakPolarHBondContact O-CD 3.45Å; S177-R181 WeakPolarHBondContact O-CG 3.43Å; S177-R181 PolarHBondContact O-N 2.95Å; S177-R181 VanDerWaalsContact O-N 3.12Å; S177-R181 PolarHBondContact OG-NH1 3.03Å; I179-R181 PolarHBondContact O-N 3.47Å; R181-I183 HydrophobicContact CB-CD1 3.93Å; R181-I183 HydrophobicContact CB-CG1 3.82Å; R181-I183 PolarHBondContact O-N 3.49Å; R181-A267 PolarHBondContact NH2-O 3.34Å
182N94.6Very high96.1Very high121 Ų12146.5 Ų46.565%0.64726%0.262SS*.THydrogen-bonded Turntrans48.644.6-177.7-167.633000113.1T178 I179T178-N182 PolarHBondContact O-N 3.2Å; T178-N182 VanDerWaalsContact O-N 3.15Å; I179-N182 PolarHBondContact O-N 2.94Å
183I93.3Very high96.1Very high49 Ų4949.9 Ų49.925%0.25128%0.28SS..SBendtrans-77.2-37.4-176.6-67.1171.1000110.9Q66 S67 T178 R181 A267Q66-I183 HydrophobicContact CB-CG2 4.21Å; S67-I183 WeakPolarHBondContact OG-CD1 3.14Å; T178-I183 HydrophobicContact CG2-CB 4.11Å; T178-I183 PolarHBondContact O-N 3.35Å; R181-I183 HydrophobicContact CB-CD1 3.93Å; R181-I183 HydrophobicContact CB-CG1 3.82Å; R181-I183 PolarHBondContact O-N 3.49Å; I183-A267 HydrophobicContact CD1-CB 4.02Å; I183-A267 HydrophobicContact CG1-CB 3.87Å
184N94.4Very high96Very high32 Ų3250.7 Ų50.717%0.17129%0.287CS..  trans-126.9113.7176-176.6-25.3000108.7Q66 T178 T186 Y187Q66-N184 VanDerWaalsContact NE2-CB 3.26Å; Q66-N184 PolarHBondContact NE2-ND2 3.15Å; Q66-N184 VanDerWaalsContact NE2-ND2 3.17Å; T178-N184 HydrophobicContact CG2-CB 3.78Å; N184-T186 VanDerWaalsContact CG-OG1 3.31Å; N184-T186 PolarHBondContact ND2-OG1 2.96Å; N184-T186 PolarHBondContact O-N 3.41Å; N184-T186 VanDerWaalsContact O-N 3.12Å; N184-T186 WeakPolarHBondContact OD1-CB 3.15Å; N184-T186 PolarHBondContact OD1-N 3.16Å; N184-T186 PolarHBondContact OD1-OG1 3.18Å; N184-Y187 HydrophobicContact CB-CD1 4.28Å; N184-Y187 HydrophobicContact CB-CG 4.29Å; N184-Y187 PolarHBondContact O-N 3.07Å
185P94.5Very high96Very high101 Ų10150.7 Ų50.766%0.65629%0.288SS*.THydrogen-bonded Turntrans-66.4-15.2-17628-35.9000113.3Y187P185-Y187 VanDerWaalsContact C-N 3.3Å
186T95.7Very high95.9Very high79 Ų7950.9 Ų50.949%0.48529%0.289SS..THydrogen-bonded Turntrans-80-11.6174.468.90000113N184N184-T186 VanDerWaalsContact CG-OG1 3.31Å; N184-T186 PolarHBondContact ND2-OG1 2.96Å; N184-T186 PolarHBondContact O-N 3.41Å; N184-T186 VanDerWaalsContact O-N 3.12Å; N184-T186 WeakPolarHBondContact OD1-CB 3.15Å; N184-T186 PolarHBondContact OD1-N 3.16Å; N184-T186 PolarHBondContact OD1-OG1 3.18Å
187Y96.7Very high95.9Very high5 Ų554.2 Ų54.22%0.0231%0.307CS..  trans-99108.8178.1-72.525.1000107.1H65 I175 T178 N184 P185 A195 Q198H65-Y187 AromaticContact CE1-CE2 3.74Å; H65-Y187 AromaticContact NE2-CE2 3.55Å; H65-Y187 AromaticContact NE2-CZ 3.69Å; H65-Y187 PolarHBondContact NE2-OH 3.1Å; I175-Y187 HydrophobicContact CG2-CD2 4.47Å; I175-Y187 HydrophobicContact CG2-CE2 4.27Å; T178-Y187 HydrophobicContact CG2-CD2 3.54Å; T178-Y187 HydrophobicContact CG2-CE2 4.24Å; T178-Y187 HydrophobicContact CG2-CG 4.02Å; N184-Y187 HydrophobicContact CB-CD1 4.28Å; N184-Y187 HydrophobicContact CB-CG 4.29Å; N184-Y187 PolarHBondContact O-N 3.07Å; P185-Y187 VanDerWaalsContact C-N 3.3Å; Y187-A195 HydrophobicContact CD1-CB 4.14Å; Y187-A195 HydrophobicContact CD2-CB 3.61Å; Y187-A195 HydrophobicContact CE2-CB 4.05Å; Y187-A195 HydrophobicContact CG-CB 3.67Å; Y187-Q198 HydrophobicContact CE1-CB 4.03Å; Y187-Q198 HydrophobicContact CE1-CG 4.43Å; Y187-Q198 WeakPolarHBondContact OH-CB 3.42Å
188T95.6Very high95.9Very high51 Ų5156.6 Ų56.631%0.31332%0.317SS..  trans-119.5162.5-175.370.60000111D190 D191T188-D190 PolarHBondContact O-N 2.94Å; T188-D190 PolarHBondContact OG1-N 3.19Å; T188-D191 CarbonylContact O-C 3.57Å; T188-D191 PolarHBondContact O-N 3.49Å; T188-D191 PolarHBondContact OG1-N 3.25Å
189S94.7Very high95.9Very high70 Ų7056.7 Ų56.749%0.4932%0.317SS..SBendtrans-63.8-21.7171.349.30000113I192S189-I192 WeakPolarHBondContact O-CD1 3.31Å
190D95.2Very high95.9Very high152 Ų15258.5 Ų58.581%0.81332%0.324SS*.SBendtrans-83.6-24.1-178.2-54.9-31.3000112.1T188T188-D190 PolarHBondContact O-N 2.94Å; T188-D190 PolarHBondContact OG1-N 3.19Å
191D96.4Very high95.9Very high79 Ų7957.8 Ų57.842%0.42232%0.323SS..  trans-129.557.8179.3-172.322.5000112.9T188 L193 G194 A195T188-D191 CarbonylContact O-C 3.57Å; T188-D191 PolarHBondContact O-N 3.49Å; T188-D191 PolarHBondContact OG1-N 3.25Å; D191-L193 VanDerWaalsContact C-N 3.3Å; D191-L193 PolarHBondContact O-N 3.28Å; D191-G194 PolarHBondContact O-N 3.12Å; D191-G194 WeakPolarHBondContact OD1-CA 3.38Å; D191-G194 PolarHBondContact OD1-N 2.98Å; D191-A195 PolarHBondContact O-N 3.31Å
192I96.8Very high96.1Very high3 Ų357.9 Ų57.92%0.01533%0.325CS..Hα-helixtrans-65.4-33.1177.7-67.8168.3000111.6I175 I179 S189 A195 L196 I291 L295 M299I175-I192 HydrophobicContact CD1-CG2 3.56Å; I175-I192 WeakPolarHBondContact CD1-O 3.38Å; I179-I192 HydrophobicContact CD1-CG1 3.94Å; S189-I192 WeakPolarHBondContact O-CD1 3.31Å; I192-A195 PolarHBondContact O-N 2.92Å; I192-L196 PolarHBondContact O-N 3.24Å; I192-I291 HydrophobicContact CD1-CB 4.43Å; I192-I291 HydrophobicContact CD1-CG1 4.26Å; I192-I291 HydrophobicContact CD1-CG2 4.32Å; I192-I291 HydrophobicContact CG2-CD1 4.48Å; I192-I291 HydrophobicContact CG2-CG2 4.29Å; I192-L295 HydrophobicContact CB-CD2 3.56Å; I192-L295 HydrophobicContact CD1-CD2 3.93Å; I192-L295 HydrophobicContact CG1-CD2 4.31Å; I192-L295 HydrophobicContact CG2-CD2 3.63Å; I192-M299 HydrophobicContact CG2-CE 4.09Å; I192-M299 HydrophobicContact CG2-SD 3.76Å
193L95.7Very high96.3Very high72 Ų7252.2 Ų52.238%0.37730%0.295SS..Hα-helixtrans-70.4-43.3177.8-67.1179.8000111.6D191 A195 L196 D197 L295 M299D191-L193 VanDerWaalsContact C-N 3.3Å; D191-L193 PolarHBondContact O-N 3.28Å; L193-A195 VanDerWaalsContact C-N 3.29Å; L193-A195 PolarHBondContact O-N 3.47Å; L193-L196 WeakPolarHBondContact O-CB 3.27Å; L193-L196 PolarHBondContact O-N 3.35Å; L193-L196 VanDerWaalsContact O-N 3.1Å; L193-D197 PolarHBondContact O-N 3.09Å; L193-L295 HydrophobicContact CD1-CD1 3.79Å; L193-L295 HydrophobicContact CD2-CD1 3.6Å; L193-L295 HydrophobicContact CD2-CG 4.17Å; L193-L295 HydrophobicContact CG-CD1 3.63Å; L193-L295 HydrophobicContact CG-CG 4.42Å; L193-M299 HydrophobicContact CD2-CG 3.7Å
194G96.2Very high96.5Very high17 Ų1751.3 Ų51.318%0.17529%0.293CS..Hα-helixtrans-61.3-38.6173.100000112.2D191 L196 D197 Q198D191-G194 PolarHBondContact O-N 3.12Å; D191-G194 WeakPolarHBondContact OD1-CA 3.38Å; D191-G194 PolarHBondContact OD1-N 2.98Å; G194-L196 PolarHBondContact O-N 3.46Å; G194-D197 PolarHBondContact O-N 3.44Å; G194-Q198 WeakPolarHBondContact O-CG 3.04Å; G194-Q198 PolarHBondContact O-N 3.47Å
195A97.4Very high96.6Very high1 Ų154 Ų541%0.00831%0.305CS..Hα-helixtrans-61-41.8171.400000112.5I175 Y187 D191 I192 L193 Q198 W199I175-A195 HydrophobicContact CB-CB 4.35Å; I175-A195 HydrophobicContact CG2-CB 4.25Å; Y187-A195 HydrophobicContact CD1-CB 4.14Å; Y187-A195 HydrophobicContact CD2-CB 3.61Å; Y187-A195 HydrophobicContact CE2-CB 4.05Å; Y187-A195 HydrophobicContact CG-CB 3.67Å; D191-A195 PolarHBondContact O-N 3.31Å; I192-A195 PolarHBondContact O-N 2.92Å; L193-A195 VanDerWaalsContact C-N 3.29Å; L193-A195 PolarHBondContact O-N 3.47Å; A195-Q198 PolarHBondContact O-N 3.24Å; A195-W199 PolarHBondContact O-N 3.09Å
196L97Very high96.8Very high4 Ų449.3 Ų49.32%0.02127%0.274CS..Hα-helixtrans-67.1-38.1176.5-172.167.6000112.3I175 I192 L193 G194 W199 K200 M299 N303I175-L196 HydrophobicContact CD1-CB 3.99Å; I175-L196 HydrophobicContact CD1-CD1 4.28Å; I192-L196 PolarHBondContact O-N 3.24Å; L193-L196 WeakPolarHBondContact O-CB 3.27Å; L193-L196 PolarHBondContact O-N 3.35Å; L193-L196 VanDerWaalsContact O-N 3.1Å; G194-L196 PolarHBondContact O-N 3.46Å; L196-W199 HydrophobicContact CD1-CD2 4.38Å; L196-W199 HydrophobicContact CD1-CE3 3.75Å; L196-W199 HydrophobicContact CD1-CZ3 4.31Å; L196-W199 HydrophobicContact CG-CE3 4.49Å; L196-W199 WeakPolarHBondContact O-CB 3.33Å; L196-W199 PolarHBondContact O-N 3.24Å; L196-K200 WeakPolarHBondContact O-CB 3.17Å; L196-K200 PolarHBondContact O-N 3.06Å; L196-M299 HydrophobicContact CB-CE 4.17Å; L196-M299 HydrophobicContact CD1-CE 3.91Å; L196-M299 HydrophobicContact CD2-CB 3.81Å; L196-M299 HydrophobicContact CD2-CE 3.68Å; L196-M299 HydrophobicContact CD2-CG 3.77Å; L196-M299 HydrophobicContact CG-CE 4.12Å; L196-N303 HydrophobicContact CD2-CB 4.21Å; L196-N303 WeakPolarHBondContact CD2-ND2 3.43Å; L196-N303 WeakPolarHBondContact CG-ND2 3.3Å
197D96.6Very high96.9Very high94 Ų9445.8 Ų45.850%0.50325%0.252SS..Hα-helixtrans-67.8-38.5177.4-80.4-21.5000111.7L193 G194 K200 S201L193-D197 PolarHBondContact O-N 3.09Å; G194-D197 PolarHBondContact O-N 3.44Å; D197-K200 WeakPolarHBondContact O-CB 3.19Å; D197-K200 PolarHBondContact O-N 2.95Å; D197-S201 WeakPolarHBondContact O-CB 3.4Å; D197-S201 PolarHBondContact O-N 2.05Å
198Q96.9Very high97Very high66 Ų6651.5 Ų51.531%0.30828%0.277SS..Hα-helixtrans-64.3-44.5170.9-72.8-172.164.900111.7Y187 G194 A195 K200 S201 F202Y187-Q198 HydrophobicContact CE1-CB 4.03Å; Y187-Q198 HydrophobicContact CE1-CG 4.43Å; Y187-Q198 WeakPolarHBondContact OH-CB 3.42Å; G194-Q198 WeakPolarHBondContact O-CG 3.04Å; G194-Q198 PolarHBondContact O-N 3.47Å; A195-Q198 PolarHBondContact O-N 3.24Å; Q198-K200 VanDerWaalsContact C-N 3.29Å; Q198-K200 PolarHBondContact O-N 2.78Å; Q198-S201 PolarHBondContact O-N 3.31Å; Q198-F202 HydrophobicContact CB-CD2 4.46Å; Q198-F202 HydrophobicContact CB-CE2 4.26Å; Q198-F202 WeakPolarHBondContact O-CD2 3.4Å; Q198-F202 PolarHBondContact O-N 2.86Å
199W97.7Very high97.1Very high1 Ų149.6 Ų49.60%0.00427%0.265CS..Hα-helixtrans-55.2-46.5172.7167.286.6000111.3H65 R169 G171 I175 A195 L196 T203 L305 L306 L309H65-W199 AromaticContact CD2-CD1 3.94Å; H65-W199 AromaticContact CE1-CD1 3.88Å; H65-W199 AromaticContact CG-CD1 3.56Å; H65-W199 AromaticContact ND1-CD1 3.54Å; R169-W199 WeakPolarHBondContact O-CZ2 3.4Å; G171-W199 VanDerWaalsContact CA-CD2 3.46Å; I175-W199 HydrophobicContact CG2-CB 3.99Å; A195-W199 PolarHBondContact O-N 3.09Å; L196-W199 HydrophobicContact CD1-CD2 4.38Å; L196-W199 HydrophobicContact CD1-CE3 3.75Å; L196-W199 HydrophobicContact CD1-CZ3 4.31Å; L196-W199 HydrophobicContact CG-CE3 4.49Å; L196-W199 WeakPolarHBondContact O-CB 3.33Å; L196-W199 PolarHBondContact O-N 3.24Å; W199-T203 HydrophobicContact CZ2-CG2 4.38Å; W199-T203 PolarHBondContact NE1-OG1 2.85Å; W199-T203 WeakPolarHBondContact O-CB 3.48Å; W199-T203 PolarHBondContact O-N 2.78Å; W199-T203 PolarHBondContact O-OG1 3.42Å; W199-L305 HydrophobicContact CE3-CD2 4.38Å; W199-L305 HydrophobicContact CH2-CB 4.34Å; W199-L305 HydrophobicContact CH2-CD2 3.69Å; W199-L305 HydrophobicContact CH2-CG 3.88Å; W199-L305 HydrophobicContact CZ2-CD2 4.23Å; W199-L305 HydrophobicContact CZ3-CB 4.14Å; W199-L305 HydrophobicContact CZ3-CD2 3.78Å; W199-L305 HydrophobicContact CZ3-CG 4.11Å; W199-L306 HydrophobicContact CH2-CD2 3.54Å; W199-L306 HydrophobicContact CH2-CG 4.18Å; W199-L306 HydrophobicContact CZ2-CD2 4.36Å; W199-L306 HydrophobicContact CZ3-CD2 3.82Å; W199-L306 HydrophobicContact CZ3-CG 4.05Å; W199-L309 HydrophobicContact CH2-CD1 4.02Å; W199-L309 HydrophobicContact CZ2-CD1 4.13Å
200K97.5Very high97.3Very high62 Ų6246.7 Ų46.727%0.2725%0.245SC..Hα-helixtrans-60.4-46.7177.8171.2-179.4171.3-175.10111L196 D197 Q198 S204 S304 L305L196-K200 WeakPolarHBondContact O-CB 3.17Å; L196-K200 PolarHBondContact O-N 3.06Å; D197-K200 WeakPolarHBondContact O-CB 3.19Å; D197-K200 PolarHBondContact O-N 2.95Å; Q198-K200 VanDerWaalsContact C-N 3.29Å; Q198-K200 PolarHBondContact O-N 2.78Å; K200-S204 WeakPolarHBondContact O-CB 3.45Å; K200-S204 PolarHBondContact O-N 3.49Å; K200-S204 PolarHBondContact O-OG 2.76Å; K200-S304 VanDerWaalsContact CE-OG 3.24Å; K200-S304 WeakPolarHBondContact CE-OG 3.46Å; K200-S304 PolarHBondContact NZ-OG 3Å; K200-S304 VanDerWaalsContact NZ-OG 3.1Å; K200-L305 HydrophobicContact CB-CD2 4.43Å; K200-L305 HydrophobicContact CG-CB 3.93Å; K200-L305 HydrophobicContact CG-CD2 4.33Å
201S97.5Very high97.4Very high77 Ų7743.6 Ų43.654%0.53823%0.225SC..Hα-helixtrans-60.1-54.7-179.6-175.70000111.6D197 Q198 S204 Q205D197-S201 WeakPolarHBondContact O-CB 3.4Å; D197-S201 PolarHBondContact O-N 2.05Å; Q198-S201 PolarHBondContact O-N 3.31Å; S201-S204 PolarHBondContact O-N 3.16Å; S201-Q205 PolarHBondContact O-N 2.93Å
202F97.7Very high97.4Very high79 Ų7945.2 Ų45.235%0.34623%0.23SC..Hα-helixtrans-63.4-47-179.4-68.8-53.1000112.2I150 Q198 S204 Q205 I206I150-F202 HydrophobicContact CG2-CD1 4.01Å; I150-F202 HydrophobicContact CG2-CE1 4.24Å; Q198-F202 HydrophobicContact CB-CD2 4.46Å; Q198-F202 HydrophobicContact CB-CE2 4.26Å; Q198-F202 WeakPolarHBondContact O-CD2 3.4Å; Q198-F202 PolarHBondContact O-N 2.86Å; F202-S204 PolarHBondContact O-N 2.84Å; F202-Q205 PolarHBondContact O-N 2.85Å; F202-I206 VanDerWaalsContact O-CG1 3.28Å; F202-I206 WeakPolarHBondContact O-CG1 3.43Å; F202-I206 PolarHBondContact O-N 3.44Å
203T98.1Very high97.5Very high2 Ų246.2 Ų46.21%0.01224%0.236CC..Hα-helixtrans-66.4-40.3-177.7-52.40000111.1V168 W199 Q205 I206 I207 L305V168-T203 HydrophobicContact CG1-CG2 4.38Å; V168-T203 HydrophobicContact CG2-CG2 4.15Å; W199-T203 HydrophobicContact CZ2-CG2 4.38Å; W199-T203 PolarHBondContact NE1-OG1 2.85Å; W199-T203 WeakPolarHBondContact O-CB 3.48Å; W199-T203 PolarHBondContact O-N 2.78Å; W199-T203 PolarHBondContact O-OG1 3.42Å; T203-Q205 VanDerWaalsContact C-N 3.34Å; T203-Q205 PolarHBondContact O-N 3.09Å; T203-I206 PolarHBondContact O-N 3.18Å; T203-I207 HydrophobicContact CG2-CD1 4.18Å; T203-I207 VanDerWaalsContact O-CG1 3.27Å; T203-I207 WeakPolarHBondContact O-CG1 3.45Å; T203-I207 PolarHBondContact O-N 3.04Å; T203-L305 HydrophobicContact CG2-CD2 3.86Å
204S97.6Very high97.6Very high30 Ų3044 Ų4421%0.2123%0.229CC..Hα-helixtrans-62.8-39.9175.5-59.20000112.1K200 S201 F202 K208K200-S204 WeakPolarHBondContact O-CB 3.45Å; K200-S204 PolarHBondContact O-N 3.49Å; K200-S204 PolarHBondContact O-OG 2.76Å; S201-S204 PolarHBondContact O-N 3.16Å; F202-S204 PolarHBondContact O-N 2.84Å; S204-K208 WeakPolarHBondContact O-CG 3.5Å; S204-K208 PolarHBondContact O-N 2.9Å; S204-K208 VanDerWaalsContact O-N 3.16Å
205Q98Very high97.6Very high88 Ų8847.6 Ų47.641%0.41125%0.252SS..Hα-helixtrans-64.5-46.6177.3-178.855.851.300111.1S201 F202 T203 I207 K208 D209S201-Q205 PolarHBondContact O-N 2.93Å; F202-Q205 PolarHBondContact O-N 2.85Å; T203-Q205 VanDerWaalsContact C-N 3.34Å; T203-Q205 PolarHBondContact O-N 3.09Å; Q205-I207 VanDerWaalsContact C-N 3.32Å; Q205-I207 PolarHBondContact O-N 3.41Å; Q205-K208 WeakPolarHBondContact O-CB 3.37Å; Q205-K208 PolarHBondContact O-N 3.42Å; Q205-K208 VanDerWaalsContact O-N 3.15Å; Q205-D209 PolarHBondContact NE2-OD1 3.3Å; Q205-D209 PolarHBondContact NE2-OD2 3.35Å; Q205-D209 PolarHBondContact O-N 3.31Å
206I98.3Very high97.6Very high4 Ų455.3 Ų55.32%0.02129%0.288CS..Hα-helixtrans-64.9-37.1179.9-62.8163.3000111.3Y149 L152 H166 F202 T203 K208 D209 C210Y149-I206 HydrophobicContact CD1-CD1 4.12Å; Y149-I206 HydrophobicContact CD1-CG1 4.24Å; Y149-I206 HydrophobicContact CD1-CG2 3.52Å; Y149-I206 HydrophobicContact CE1-CG2 3.48Å; Y149-I206 VanDerWaalsContact CE1-CG2 3.48Å; L152-I206 HydrophobicContact CD2-CG2 3.8Å; H166-I206 HydrophobicContact CB-CG2 4.25Å; H166-I206 WeakPolarHBondContact CD2-CG2 3.02Å; H166-I206 WeakPolarHBondContact NE2-CG2 3.13Å; F202-I206 VanDerWaalsContact O-CG1 3.28Å; F202-I206 WeakPolarHBondContact O-CG1 3.43Å; F202-I206 PolarHBondContact O-N 3.44Å; T203-I206 PolarHBondContact O-N 3.18Å; I206-K208 PolarHBondContact O-N 3.22Å; I206-D209 PolarHBondContact O-N 3.03Å; I206-C210 VanDerWaalsContact O-CB 3.23Å; I206-C210 WeakPolarHBondContact O-CB 3.49Å; I206-C210 PolarHBondContact O-N 2.93Å
207I97.9Very high97.7Very high4 Ų457.6 Ų57.62%0.02130%0.296CS..Hα-helixtrans-57.7-48.5172.5-72.5168000110.6T203 Q205 D209 C210 Q211 L305 L309 L330T203-I207 HydrophobicContact CG2-CD1 4.18Å; T203-I207 VanDerWaalsContact O-CG1 3.27Å; T203-I207 WeakPolarHBondContact O-CG1 3.45Å; T203-I207 PolarHBondContact O-N 3.04Å; Q205-I207 VanDerWaalsContact C-N 3.32Å; Q205-I207 PolarHBondContact O-N 3.41Å; I207-D209 VanDerWaalsContact C-N 3.35Å; I207-D209 PolarHBondContact O-N 3.49Å; I207-C210 WeakPolarHBondContact O-CB 3.39Å; I207-C210 PolarHBondContact O-N 3.47Å; I207-Q211 HydrophobicContact CG2-CG 4.48Å; I207-Q211 VanDerWaalsContact O-CG 3.32Å; I207-Q211 WeakPolarHBondContact O-CG 3.4Å; I207-Q211 PolarHBondContact O-N 3.23Å; I207-L305 HydrophobicContact CD1-CD1 3.84Å; I207-L309 HydrophobicContact CD1-CD2 4.03Å; I207-L330 HydrophobicContact CD1-CD1 4.34Å; I207-L330 HydrophobicContact CD1-CD2 4.11Å; I207-L330 HydrophobicContact CG1-CD1 4.13Å; I207-L330 HydrophobicContact CG2-CB 4.4Å; I207-L330 HydrophobicContact CG2-CD1 4.26Å; I207-L330 HydrophobicContact CG2-CD2 3.96Å; I207-L330 HydrophobicContact CG2-CG 4.44Å
208K97.9Very high97.8Very high125 Ų12553.5 Ų53.554%0.54328%0.275SS..Hα-helixtrans-62.2-42178.7-70.4173.4-178.2179.80112.2S204 Q205 I206 C210 Q211 H212S204-K208 WeakPolarHBondContact O-CG 3.5Å; S204-K208 PolarHBondContact O-N 2.9Å; S204-K208 VanDerWaalsContact O-N 3.16Å; Q205-K208 WeakPolarHBondContact O-CB 3.37Å; Q205-K208 PolarHBondContact O-N 3.42Å; Q205-K208 VanDerWaalsContact O-N 3.15Å; I206-K208 PolarHBondContact O-N 3.22Å; K208-C210 VanDerWaalsContact C-N 3.35Å; K208-Q211 PolarHBondContact O-N 2.89Å; K208-H212 WeakPolarHBondContact O-CB 3.34Å; K208-H212 PolarHBondContact O-N 3.01Å
209D98.5Very high97.8Very high12 Ų1252 Ų526%0.06427%0.268CS..Hα-helixtrans-67.7-37.2177.7-68.3-28.4000111.6L152 R153 Q205 I206 I207 H212 I213L152-D209 HydrophobicContact CB-CB 4.02Å; L152-D209 HydrophobicContact CD2-CB 3.9Å; L152-D209 HydrophobicContact CG-CB 4Å; R153-D209 HydrophobicContact CB-CB 4.37Å; Q205-D209 PolarHBondContact NE2-OD1 3.3Å; Q205-D209 PolarHBondContact NE2-OD2 3.35Å; Q205-D209 PolarHBondContact O-N 3.31Å; I206-D209 PolarHBondContact O-N 3.03Å; I207-D209 VanDerWaalsContact C-N 3.35Å; I207-D209 PolarHBondContact O-N 3.49Å; D209-H212 PolarHBondContact O-N 3.48Å; D209-I213 WeakPolarHBondContact O-CG1 3.2Å; D209-I213 PolarHBondContact O-N 3.38Å
210C98Very high97.8Very high9 Ų953.4 Ų53.46%0.06128%0.277CS..Hα-helixtrans-64.6-44.1174.5-168.80000111.9L152 I206 I207 K208 H212 I213 G214 C218L152-C210 HydrophobicContact CD2-CB 4.05Å; I206-C210 VanDerWaalsContact O-CB 3.23Å; I206-C210 WeakPolarHBondContact O-CB 3.49Å; I206-C210 PolarHBondContact O-N 2.93Å; I207-C210 WeakPolarHBondContact O-CB 3.39Å; I207-C210 PolarHBondContact O-N 3.47Å; K208-C210 VanDerWaalsContact C-N 3.35Å; C210-H212 VanDerWaalsContact C-N 3.33Å; C210-H212 PolarHBondContact O-N 2.96Å; C210-I213 PolarHBondContact O-N 3.21Å; C210-G214 PolarHBondContact O-N 3.09Å; C210-C218 WeakPolarHBondContact CA-SG 3.1Å; C210-C218 HydrophobicContact CB-CB 4Å; C210-C218 WeakPolarHBondContact CB-SG 3.47Å; C210-C218 WeakPolarHBondContact SG-CB 3.2Å; C210-C218 CovalentContact SG-SG 2.03Å; C210-C218 PolarHBondContact SG-SG 3.33Å
211Q97.3Very high97.8Very high86 Ų8650.6 Ų50.640%0.40227%0.265SS..Hα-helixtrans-59.8-43.1172.4-71.8164.3-18.500111.3I207 K208 G214 L330I207-Q211 HydrophobicContact CG2-CG 4.48Å; I207-Q211 VanDerWaalsContact O-CG 3.32Å; I207-Q211 WeakPolarHBondContact O-CG 3.4Å; I207-Q211 PolarHBondContact O-N 3.23Å; K208-Q211 PolarHBondContact O-N 2.89Å; Q211-G214 PolarHBondContact O-N 3.05Å; Q211-L330 PolarHBondContact NE2-OXT 3.39Å
212H97.7Very high97.9Very high114 Ų11448 Ų4853%0.52824%0.243SC..Hα-helixtrans-63.5-40.417818069.4000112.6R153 K208 D209 C210 G214R153-H212 PolarHBondContact NE-NE2 3.34Å; K208-H212 WeakPolarHBondContact O-CB 3.34Å; K208-H212 PolarHBondContact O-N 3.01Å; D209-H212 PolarHBondContact O-N 3.48Å; C210-H212 VanDerWaalsContact C-N 3.33Å; C210-H212 PolarHBondContact O-N 2.96Å; H212-G214 VanDerWaalsContact C-N 3.26Å; H212-G214 PolarHBondContact O-N 2.89Å
213I98.1Very high97.9Very high24 Ų2445.1 Ų45.112%0.12323%0.23CC..Hα-helixtrans-66-31175.1-75.1172000112L152 F164 D209 C210 R217 C218L152-I213 HydrophobicContact CD1-CD1 3.56Å; L152-I213 HydrophobicContact CD2-CD1 4.3Å; L152-I213 HydrophobicContact CG-CD1 3.59Å; F164-I213 HydrophobicContact CD2-CD1 4.13Å; F164-I213 HydrophobicContact CD2-CG2 3.99Å; F164-I213 HydrophobicContact CE2-CD1 4.25Å; F164-I213 HydrophobicContact CE2-CG2 4.36Å; F164-I213 HydrophobicContact CG-CD1 4.42Å; D209-I213 WeakPolarHBondContact O-CG1 3.2Å; D209-I213 PolarHBondContact O-N 3.38Å; C210-I213 PolarHBondContact O-N 3.21Å; I213-R217 HydrophobicContact CG2-CB 3.5Å; I213-C218 HydrophobicContact CB-CB 4.21Å; I213-C218 HydrophobicContact CG2-CB 3.83Å
214G97.8Very high97.9Very high24 Ų2445 Ų4525%0.24723%0.23CC..  trans93.7149177.700000113.8C210 Q211 H212 H216 R217 C218C210-G214 PolarHBondContact O-N 3.09Å; Q211-G214 PolarHBondContact O-N 3.05Å; H212-G214 VanDerWaalsContact C-N 3.26Å; H212-G214 PolarHBondContact O-N 2.89Å; G214-H216 PolarHBondContact O-N 3.43Å; G214-H216 VanDerWaalsContact O-N 3.13Å; G214-R217 PolarHBondContact O-N 2.84Å; G214-C218 PolarHBondContact O-N 3.17Å
215S96.3Very high97.9Very high94 Ų9443.7 Ų43.766%0.65722%0.22SC*.THydrogen-bonded Turntrans-62.6-21.1-173.655.80000114.7R217S215-R217 VanDerWaalsContact C-N 3.26Å; S215-R217 PolarHBondContact O-N 2.77Å
216H97.5Very high97.9Very high163 Ų16339.6 Ų39.676%0.75520%0.201SC*.THydrogen-bonded Turntrans-70.9-22.5173.8-59.7-61.1000113.4G214G214-H216 PolarHBondContact O-N 3.43Å; G214-H216 VanDerWaalsContact O-N 3.13Å
217R98.2Very high97.9Very high52 Ų5239.7 Ų39.720%0.19620%0.202CC..THydrogen-bonded Turntrans-120.7-18.8-176.3-84.3171.225.9100.8-6.8113.3G156 F159 P160 A162 K163 F164 I213 G214 S215 F240G156-R217 VanDerWaalsContact CA-NH2 3.29Å; G156-R217 PolarHBondContact O-NH2 3.38Å; F159-R217 PolarHBondContact O-NH1 2.67Å; P160-R217 PolarHBondContact O-NH1 3.12Å; A162-R217 PolarHBondContact O-NH1 3.48Å; K163-R217 CarbonylContact C-O 3.42Å; K163-R217 WeakPolarHBondContact CA-O 3.28Å; F164-R217 WeakPolarHBondContact CD2-O 3.37Å; F164-R217 PolarHBondContact N-O 2.77Å; I213-R217 HydrophobicContact CG2-CB 3.5Å; G214-R217 PolarHBondContact O-N 2.84Å; S215-R217 VanDerWaalsContact C-N 3.26Å; S215-R217 PolarHBondContact O-N 2.77Å; R217-F240 WeakPolarHBondContact O-CZ 3.49Å
218C98.6Very high98Very high7 Ų740 Ų405%0.04720%0.203CC..EExtended strand (participates in β ladder)trans-130.2127.3177.5-169.90000112.4F164 C210 I213 G214F164-C218 HydrophobicContact CB-CB 3.99Å; F164-C218 CarbonylContact O-C 3.55Å; F164-C218 WeakPolarHBondContact O-CA 2.87Å; C210-C218 WeakPolarHBondContact CA-SG 3.1Å; C210-C218 HydrophobicContact CB-CB 4Å; C210-C218 WeakPolarHBondContact CB-SG 3.47Å; C210-C218 WeakPolarHBondContact SG-CB 3.2Å; C210-C218 CovalentContact SG-SG 2.03Å; C210-C218 PolarHBondContact SG-SG 3.33Å; I213-C218 HydrophobicContact CB-CB 4.21Å; I213-C218 HydrophobicContact CG2-CB 3.83Å; G214-C218 PolarHBondContact O-N 3.17Å
219M98Very high98Very high35 Ų3536.5 Ų36.517%0.17219%0.191CC..EExtended strand (participates in β ladder)trans-119.6129.6178.2-179.4-175.2179.700110F164 I165 H166 V221 K236 I237 F240F164-M219 PolarHBondContact O-N 3.07Å; I165-M219 WeakPolarHBondContact CA-O 3.4Å; H166-M219 PolarHBondContact N-O 2.95Å; M219-V221 HydrophobicContact CE-CG2 4.08Å; M219-V221 HydrophobicContact CG-CG2 4.29Å; M219-V221 HydrophobicContact SD-CG2 4.25Å; M219-K236 HydrophobicContact CE-CB 3.84Å; M219-I237 HydrophobicContact CE-CG1 4.2Å; M219-I237 HydrophobicContact SD-CG1 4.24Å; M219-F240 HydrophobicContact CB-CD1 3.69Å; M219-F240 HydrophobicContact CB-CD2 3.91Å; M219-F240 HydrophobicContact CB-CE1 3.63Å; M219-F240 HydrophobicContact CB-CE2 3.85Å; M219-F240 HydrophobicContact CB-CG 3.82Å; M219-F240 HydrophobicContact CB-CZ 3.71Å; M219-F240 HydrophobicContact CG-CD1 4.43Å; M219-F240 HydrophobicContact CG-CG 4.35Å; M219-F240 HydrophobicContact SD-CB 3.64Å; M219-F240 HydrophobicContact SD-CD1 3.91Å; M219-F240 HydrophobicContact SD-CG 3.77Å
220T98Very high97.9Very high31 Ų3137.6 Ų37.619%0.1920%0.199CC..EExtended strand (participates in β ladder)trans-90.8130.5170.5-65.20000110.1H166 V168 L328 L330H166-T220 PolarHBondContact ND1-OG1 3.27Å; H166-T220 CarbonylContact O-C 3.52Å; H166-T220 VanDerWaalsContact O-CA 3.31Å; H166-T220 WeakPolarHBondContact O-CA 3.42Å; V168-T220 HydrophobicContact CB-CG2 4.09Å; V168-T220 HydrophobicContact CG2-CG2 3.53Å; T220-L328 HydrophobicContact CG2-CD1 3.93Å; T220-L330 HydrophobicContact CG2-CD1 3.8Å
221V98Very high98Very high3 Ų341.8 Ų41.82%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-119.1123.5179.7177.70000109.4L73 I165 H166 V168 M219 L226 I237L73-V221 HydrophobicContact CD2-CG1 4.35Å; I165-V221 HydrophobicContact CG2-CB 4.36Å; I165-V221 HydrophobicContact CG2-CG2 3.77Å; H166-V221 PolarHBondContact O-N 3.04Å; V168-V221 PolarHBondContact N-O 3.27Å; M219-V221 HydrophobicContact CE-CG2 4.08Å; M219-V221 HydrophobicContact CG-CG2 4.29Å; M219-V221 HydrophobicContact SD-CG2 4.25Å; V221-L226 HydrophobicContact CG1-CB 4.35Å; V221-I237 HydrophobicContact CG1-CD1 4.14Å; V221-I237 HydrophobicContact CG2-CD1 4.01Å; V221-I237 HydrophobicContact CG2-CG1 3.85Å
222R98Very high98Very high23 Ų2341 Ų419%0.08721%0.209CC..EExtended strand (participates in β ladder)trans-79.7124.4171.9-69.5-178.7-68.3-166.72110.5V168 E224 C225 L226 I323 V326 L328V168-R222 CarbonylContact O-C 3.3Å; V168-R222 WeakPolarHBondContact O-CA 3.32Å; R222-E224 PolarHBondContact O-N 2.95Å; R222-C225 HydrophobicContact CB-CB 4.23Å; R222-C225 PolarHBondContact NE-SG 3.05Å; R222-C225 PolarHBondContact O-N 3.48Å; R222-L226 PolarHBondContact O-N 2.9Å; R222-I323 PolarHBondContact NH1-O 2.9Å; R222-I323 PolarHBondContact NH2-O 3.31Å; R222-V326 PolarHBondContact NH1-O 3.33Å; R222-V326 PolarHBondContact NH2-O 2.94Å; R222-L328 HydrophobicContact CG-CD1 3.46Å; R222-L328 VanDerWaalsContact CG-CD1 3.46Å; R222-L328 HydrophobicContact CG-CG 4.17Å
223Y98.4Very high98Very high17 Ų1736.2 Ų36.27%0.06719%0.187CC..Hα-helixtrans-51.9-44.7174.6172.2-107000111.6S68 L72 V168 R169 C225 L226 V227 S280 L281S68-Y223 WeakPolarHBondContact O-CB 3.48Å; L72-Y223 HydrophobicContact CD2-CE2 4.34Å; V168-Y223 PolarHBondContact O-N 3.28Å; R169-Y223 HydrophobicContact CB-CG 4.47Å; R169-Y223 HydrophobicContact CG-CD1 3.76Å; R169-Y223 HydrophobicContact CG-CG 4.12Å; Y223-C225 VanDerWaalsContact C-N 3.33Å; Y223-C225 PolarHBondContact O-N 3.37Å; Y223-L226 WeakPolarHBondContact O-CB 3.42Å; Y223-L226 PolarHBondContact O-N 3.41Å; Y223-V227 HydrophobicContact CD2-CG1 4.1Å; Y223-V227 HydrophobicContact CE1-CG1 4.39Å; Y223-V227 HydrophobicContact CE1-CG2 4.37Å; Y223-V227 HydrophobicContact CE2-CG1 3.52Å; Y223-V227 PolarHBondContact O-N 3.44Å; Y223-S280 PolarHBondContact OH-OG 3.38Å; Y223-L281 HydrophobicContact CD1-CD2 4.27Å; Y223-L281 HydrophobicContact CE1-CD2 4.03Å
224E98.2Very high98Very high1 Ų135.2 Ų35.21%0.00518%0.182CC..Hα-helixtrans-60.7-46.7-176.7-6180.5-169.600110.5R169 D170 R222 L226 V227 I228 L281 Y311 Y320R169-E224 WeakPolarHBondContact CA-OE1 3.4Å; R169-E224 WeakPolarHBondContact CG-OE1 3.31Å; D170-E224 WeakPolarHBondContact CB-OE1 3.42Å; D170-E224 PolarHBondContact N-OE1 3.47Å; R222-E224 PolarHBondContact O-N 2.95Å; E224-L226 VanDerWaalsContact C-N 3.34Å; E224-L226 PolarHBondContact O-N 3.47Å; E224-V227 WeakPolarHBondContact O-CG2 3.24Å; E224-V227 PolarHBondContact O-N 2.66Å; E224-I228 HydrophobicContact CB-CD1 4.43Å; E224-I228 WeakPolarHBondContact O-CB 3.27Å; E224-I228 WeakPolarHBondContact O-CD1 3.14Å; E224-I228 WeakPolarHBondContact O-CG1 3.43Å; E224-I228 PolarHBondContact O-N 2.91Å; E224-L281 HydrophobicContact CB-CD2 3.87Å; E224-L281 HydrophobicContact CG-CD2 3.57Å; E224-Y311 HydrophobicContact CG-CE1 4.35Å; E224-Y311 PolarHBondContact OE2-OH 3.12Å; E224-Y320 HydrophobicContact CB-CD1 3.99Å; E224-Y320 HydrophobicContact CB-CG 4.2Å; E224-Y320 HydrophobicContact CG-CD1 3.56Å; E224-Y320 HydrophobicContact CG-CE1 3.78Å; E224-Y320 HydrophobicContact CG-CG 4.02Å
225C98.1Very high98.1Very high1 Ų140.1 Ų40.11%0.00719%0.193CC..Hα-helixtrans-66.5-36.6178.3-52.70000112.5R222 Y223 V227 I228 N229 E233 C324R222-C225 HydrophobicContact CB-CB 4.23Å; R222-C225 PolarHBondContact NE-SG 3.05Å; R222-C225 PolarHBondContact O-N 3.48Å; Y223-C225 VanDerWaalsContact C-N 3.33Å; Y223-C225 PolarHBondContact O-N 3.37Å; C225-V227 VanDerWaalsContact C-N 3.34Å; C225-V227 PolarHBondContact O-N 3Å; C225-I228 PolarHBondContact O-N 3.45Å; C225-N229 PolarHBondContact O-N 3.27Å; C225-E233 HydrophobicContact CB-CG 3.92Å; C225-E233 VanDerWaalsContact O-CG 3.29Å; C225-E233 WeakPolarHBondContact O-CG 3.34Å; C225-C324 WeakPolarHBondContact CA-SG 3.2Å; C225-C324 HydrophobicContact CB-CB 3.87Å; C225-C324 WeakPolarHBondContact CB-SG 3.41Å; C225-C324 PolarHBondContact N-SG 2.93Å; C225-C324 WeakPolarHBondContact SG-CA 3.32Å; C225-C324 WeakPolarHBondContact SG-CB 3.5Å; C225-C324 CovalentContact SG-SG 2.05Å; C225-C324 PolarHBondContact SG-SG 2.94Å
226L98.3Very high98.2Very high2 Ų239.3 Ų39.31%0.0118%0.178CC..Hα-helixtrans-63-40177.1-179.461.7000111.8L72 L73 L76 V221 R222 Y223 E224 P230 E233 I234 I237L72-L226 HydrophobicContact CD2-CD2 3.86Å; L72-L226 HydrophobicContact CD2-CG 4.19Å; L72-L226 HydrophobicContact CG-CD2 4.13Å; L73-L226 HydrophobicContact CD2-CD2 3.78Å; L73-L226 HydrophobicContact CG-CD2 3.91Å; L76-L226 HydrophobicContact CD1-CD1 4.07Å; L76-L226 HydrophobicContact CD1-CD2 4.18Å; L76-L226 HydrophobicContact CD1-CG 4.42Å; V221-L226 HydrophobicContact CG1-CB 4.35Å; R222-L226 PolarHBondContact O-N 2.9Å; Y223-L226 WeakPolarHBondContact O-CB 3.42Å; Y223-L226 PolarHBondContact O-N 3.41Å; E224-L226 VanDerWaalsContact C-N 3.34Å; E224-L226 PolarHBondContact O-N 3.47Å; L226-P230 WeakPolarHBondContact O-CA 3.32Å; L226-P230 WeakPolarHBondContact O-CB 3.41Å; L226-E233 HydrophobicContact CD1-CB 4.02Å; L226-I234 HydrophobicContact CD1-CG1 4.02Å; L226-I237 HydrophobicContact CD1-CD1 4.25Å
227V98.3Very high98.2Very high6 Ų631.8 Ų31.84%0.03614%0.143CC..Hα-helixtrans-85.6-21.9178.5-54.50000113.5L72 Y223 E224 C225 V276 L281L72-V227 HydrophobicContact CD2-CG1 3.81Å; Y223-V227 HydrophobicContact CD2-CG1 4.1Å; Y223-V227 HydrophobicContact CE1-CG1 4.39Å; Y223-V227 HydrophobicContact CE1-CG2 4.37Å; Y223-V227 HydrophobicContact CE2-CG1 3.52Å; Y223-V227 PolarHBondContact O-N 3.44Å; E224-V227 WeakPolarHBondContact O-CG2 3.24Å; E224-V227 PolarHBondContact O-N 2.66Å; C225-V227 VanDerWaalsContact C-N 3.34Å; C225-V227 PolarHBondContact O-N 3Å; V227-V276 HydrophobicContact CB-CG1 3.85Å; V227-V276 HydrophobicContact CG1-CG1 3.93Å; V227-L281 HydrophobicContact CG2-CD1 4.14Å; V227-L281 HydrophobicContact CG2-CD2 3.65Å; V227-L281 HydrophobicContact CG2-CG 4.1Å
228I98.2Very high98.2Very high10 Ų1029.5 Ų29.55%0.05114%0.135CC..Hα-helixtrans-76.2-49.5177.5-84.6172.2000111.8E224 C225 K278 L281 E321E224-I228 HydrophobicContact CB-CD1 4.43Å; E224-I228 WeakPolarHBondContact O-CB 3.27Å; E224-I228 WeakPolarHBondContact O-CD1 3.14Å; E224-I228 WeakPolarHBondContact O-CG1 3.43Å; E224-I228 PolarHBondContact O-N 2.91Å; C225-I228 PolarHBondContact O-N 3.45Å; I228-K278 HydrophobicContact CG1-CD 4.21Å; I228-K278 PolarHBondContact O-NZ 3.37Å; I228-L281 HydrophobicContact CD1-CD1 4.01Å; I228-L281 HydrophobicContact CG1-CD1 3.88Å; I228-E321 HydrophobicContact CD1-CG 4.3Å; I228-E321 WeakPolarHBondContact CG1-OE1 3.48Å; I228-E321 WeakPolarHBondContact CG2-OE1 3.07Å; I228-E321 WeakPolarHBondContact CG2-OE2 3.3Å
229N97.8Very high98.2Very high53 Ų5335.4 Ų35.428%0.28317%0.165SC..SBendtrans-130.661.3-174-77.2-50.1000110.4C225 K231 R232 E233C225-N229 PolarHBondContact O-N 3.27Å; N229-K231 PolarHBondContact O-N 2.86Å; N229-R232 HydrophobicContact CB-CB 4.1Å; N229-R232 WeakPolarHBondContact O-CB 3.47Å; N229-R232 PolarHBondContact O-N 2.79Å; N229-E233 PolarHBondContact O-N 3.4Å; N229-E233 VanDerWaalsContact O-N 3.08Å
230P98Very high98.3Very high35 Ų3534.9 Ų34.923%0.22716%0.162CC..Hα-helixtrans-56.4-45-169.419.8-32.5000113.3L226 R232 E233 I234 L250 V276L226-P230 WeakPolarHBondContact O-CA 3.32Å; L226-P230 WeakPolarHBondContact O-CB 3.41Å; P230-R232 VanDerWaalsContact C-N 3.29Å; P230-R232 PolarHBondContact O-N 3.23Å; P230-E233 PolarHBondContact O-N 2.75Å; P230-I234 HydrophobicContact CB-CD1 4.22Å; P230-I234 VanDerWaalsContact O-CB 3.23Å; P230-I234 WeakPolarHBondContact O-CB 3.22Å; P230-I234 WeakPolarHBondContact O-CD1 3.28Å; P230-I234 WeakPolarHBondContact O-CG1 3.15Å; P230-I234 PolarHBondContact O-N 3.34Å; P230-L250 HydrophobicContact CB-CD2 4.24Å; P230-V276 HydrophobicContact CB-CG1 4.4Å
231K98.4Very high98.3Very high96 Ų9633.4 Ų33.442%0.41715%0.153SC..Hα-helixtrans-58.9-39.6178.5-171.6172.8-173.2169.60112.8N229 R235 W245 L250N229-K231 PolarHBondContact O-N 2.86Å; K231-R235 WeakPolarHBondContact O-CB 3.46Å; K231-R235 VanDerWaalsContact O-CG 3.26Å; K231-R235 WeakPolarHBondContact O-CG 3.19Å; K231-R235 PolarHBondContact O-N 3.2Å; K231-W245 HydrophobicContact CG-CH2 3.99Å; K231-W245 HydrophobicContact CG-CZ2 4.36Å; K231-L250 HydrophobicContact CB-CD1 4.31Å; K231-L250 HydrophobicContact CB-CD2 3.97Å; K231-L250 HydrophobicContact CD-CD1 4.18Å; K231-L250 HydrophobicContact CG-CD1 4.22Å
232R97.8Very high98.3Very high70 Ų7038.8 Ų38.826%0.26418%0.182SC..Hα-helixtrans-69.3-50179.9-173.4-179.873.2-176.43.9110.5N229 P230 R235 K236 C324 E325N229-R232 HydrophobicContact CB-CB 4.1Å; N229-R232 WeakPolarHBondContact O-CB 3.47Å; N229-R232 PolarHBondContact O-N 2.79Å; P230-R232 VanDerWaalsContact C-N 3.29Å; P230-R232 PolarHBondContact O-N 3.23Å; R232-R235 PolarHBondContact O-N 3.31Å; R232-K236 PolarHBondContact O-N 2.76Å; R232-C324 PolarHBondContact NH2-O 3.13Å; R232-E325 IonicContact CZ-OE1 2.6Å; R232-E325 IonicContact NH1-OE1 3.44Å; R232-E325 PolarHBondContact NH1-OE1 3.19Å; R232-E325 IonicContact NH1-OE2 2.64Å; R232-E325 IonicContact NH2-OE1 3.05Å
233E98.2Very high98.3Very high13 Ų1338.3 Ų38.36%0.06118%0.181CC..Hα-helixtrans-72.5-38-175.7-59.3-50.8131.300112.3C225 L226 N229 P230 R235 K236 I237C225-E233 HydrophobicContact CB-CG 3.92Å; C225-E233 VanDerWaalsContact O-CG 3.29Å; C225-E233 WeakPolarHBondContact O-CG 3.34Å; L226-E233 HydrophobicContact CD1-CB 4.02Å; N229-E233 PolarHBondContact O-N 3.4Å; N229-E233 VanDerWaalsContact O-N 3.08Å; P230-E233 PolarHBondContact O-N 2.75Å; E233-R235 VanDerWaalsContact C-N 3.31Å; E233-R235 PolarHBondContact O-N 3.5Å; E233-K236 WeakPolarHBondContact O-CB 3.45Å; E233-K236 PolarHBondContact O-N 3.29Å; E233-K236 IonicContact OE1-NZ 2.6Å; E233-K236 PolarHBondContact OE1-NZ 2.57Å; E233-K236 IonicContact OE2-NZ 3.27Å; E233-I237 WeakPolarHBondContact O-CD1 3.47Å; E233-I237 VanDerWaalsContact O-CG1 3.3Å; E233-I237 WeakPolarHBondContact O-CG1 3.27Å; E233-I237 PolarHBondContact O-N 2.74Å
234I98.7Very high98.3Very high4 Ų441.1 Ų41.12%0.02120%0.201CC..Hα-helixtrans-60.7-41.4173.3-66.5165.7000110.4L76 L226 P230 K236 I237 L238 W245 L249 L250L76-I234 HydrophobicContact CD1-CD1 4.13Å; L76-I234 HydrophobicContact CD1-CG1 4.23Å; L76-I234 HydrophobicContact CD2-CD1 4.11Å; L226-I234 HydrophobicContact CD1-CG1 4.02Å; P230-I234 HydrophobicContact CB-CD1 4.22Å; P230-I234 VanDerWaalsContact O-CB 3.23Å; P230-I234 WeakPolarHBondContact O-CB 3.22Å; P230-I234 WeakPolarHBondContact O-CD1 3.28Å; P230-I234 WeakPolarHBondContact O-CG1 3.15Å; P230-I234 PolarHBondContact O-N 3.34Å; I234-K236 PolarHBondContact O-N 3.24Å; I234-I237 PolarHBondContact O-N 3.08Å; I234-L238 HydrophobicContact CG2-CD1 3.98Å; I234-L238 HydrophobicContact CG2-CG 4.11Å; I234-L238 WeakPolarHBondContact O-CG 3.42Å; I234-L238 PolarHBondContact O-N 2.77Å; I234-W245 HydrophobicContact CB-CH2 4.43Å; I234-W245 HydrophobicContact CB-CZ3 3.94Å; I234-W245 HydrophobicContact CG2-CE3 4.31Å; I234-W245 HydrophobicContact CG2-CH2 4.16Å; I234-W245 HydrophobicContact CG2-CZ3 3.52Å; I234-L249 HydrophobicContact CD1-CB 4.38Å; I234-L249 HydrophobicContact CG2-CB 4.19Å; I234-L249 HydrophobicContact CG2-CD2 3.51Å; I234-L249 HydrophobicContact CG2-CG 4.5Å; I234-L250 HydrophobicContact CD1-CD2 4.14Å
235R98.6Very high98.3Very high126 Ų12644.7 Ų44.748%0.47522%0.215SC..Hα-helixtrans-60.8-42.7174.8-79.6176.1176.5161.7-10.5112.8K231 R232 E233 I237 L238 N239 W245K231-R235 WeakPolarHBondContact O-CB 3.46Å; K231-R235 VanDerWaalsContact O-CG 3.26Å; K231-R235 WeakPolarHBondContact O-CG 3.19Å; K231-R235 PolarHBondContact O-N 3.2Å; R232-R235 PolarHBondContact O-N 3.31Å; E233-R235 VanDerWaalsContact C-N 3.31Å; E233-R235 PolarHBondContact O-N 3.5Å; R235-I237 VanDerWaalsContact C-N 3.32Å; R235-I237 PolarHBondContact O-N 3.21Å; R235-L238 PolarHBondContact O-N 3.39Å; R235-N239 VanDerWaalsContact O-CB 3.24Å; R235-N239 WeakPolarHBondContact O-CB 3.13Å; R235-N239 PolarHBondContact O-N 3.23Å; R235-W245 HydrophobicContact CG-CD2 4.43Å; R235-W245 HydrophobicContact CG-CE3 3.49Å; R235-W245 VanDerWaalsContact CG-CE3 3.49Å; R235-W245 HydrophobicContact CG-CH2 4.49Å; R235-W245 HydrophobicContact CG-CZ3 3.52Å
236K98Very high98.3Very high78 Ų7846.3 Ų46.334%0.33922%0.223SC..Hα-helixtrans-60.7-44175.3-68.4176.5-179.11740110.9M219 R232 E233 I234 F240M219-K236 HydrophobicContact CE-CB 3.84Å; R232-K236 PolarHBondContact O-N 2.76Å; E233-K236 WeakPolarHBondContact O-CB 3.45Å; E233-K236 PolarHBondContact O-N 3.29Å; E233-K236 IonicContact OE1-NZ 2.6Å; E233-K236 PolarHBondContact OE1-NZ 2.57Å; E233-K236 IonicContact OE2-NZ 3.27Å; I234-K236 PolarHBondContact O-N 3.24Å; K236-F240 WeakPolarHBondContact O-CB 3.47Å; K236-F240 PolarHBondContact O-N 2.63Å
237I98.6Very high98.3Very high5 Ų551.3 Ų51.33%0.02625%0.25CC..Hα-helixtrans-63.2-50.1178.3-67.6160000111.1L73 L77 I165 M219 V221 L226 E233 I234 R235 N239 F240 L241L73-I237 HydrophobicContact CD2-CD1 3.58Å; L77-I237 HydrophobicContact CD2-CG2 4.47Å; I165-I237 HydrophobicContact CD1-CG2 3.72Å; M219-I237 HydrophobicContact CE-CG1 4.2Å; M219-I237 HydrophobicContact SD-CG1 4.24Å; V221-I237 HydrophobicContact CG1-CD1 4.14Å; V221-I237 HydrophobicContact CG2-CD1 4.01Å; V221-I237 HydrophobicContact CG2-CG1 3.85Å; L226-I237 HydrophobicContact CD1-CD1 4.25Å; E233-I237 WeakPolarHBondContact O-CD1 3.47Å; E233-I237 VanDerWaalsContact O-CG1 3.3Å; E233-I237 WeakPolarHBondContact O-CG1 3.27Å; E233-I237 PolarHBondContact O-N 2.74Å; I234-I237 PolarHBondContact O-N 3.08Å; R235-I237 VanDerWaalsContact C-N 3.32Å; R235-I237 PolarHBondContact O-N 3.21Å; I237-N239 PolarHBondContact O-N 2.56Å; I237-F240 CarbonylContact O-C 3.35Å; I237-F240 WeakPolarHBondContact O-CB 3.41Å; I237-F240 PolarHBondContact O-N 2.86Å; I237-L241 HydrophobicContact CG2-CD1 3.92Å; I237-L241 HydrophobicContact CG2-CG 4.39Å; I237-L241 WeakPolarHBondContact O-CB 3.46Å; I237-L241 VanDerWaalsContact O-CG 3.27Å; I237-L241 WeakPolarHBondContact O-CG 3.36Å; I237-L241 PolarHBondContact O-N 3.01Å
238L98.8Very high98.2Very high4 Ų454.3 Ų54.32%0.02126%0.263CS..Hα-helixtrans-64.8-40-179.4-67.5-177.1000112.1L77 I234 R235 L241 D242 I243 W245 L249L77-L238 HydrophobicContact CD2-CD2 3.9Å; I234-L238 HydrophobicContact CG2-CD1 3.98Å; I234-L238 HydrophobicContact CG2-CG 4.11Å; I234-L238 WeakPolarHBondContact O-CG 3.42Å; I234-L238 PolarHBondContact O-N 2.77Å; R235-L238 PolarHBondContact O-N 3.39Å; L238-L241 CarbonylContact O-C 3.55Å; L238-L241 PolarHBondContact O-N 2.75Å; L238-L241 VanDerWaalsContact O-N 3.14Å; L238-D242 PolarHBondContact O-N 2.91Å; L238-I243 HydrophobicContact CD2-CB 4.07Å; L238-I243 HydrophobicContact CD2-CG2 3.96Å; L238-I243 PolarHBondContact O-N 3.35Å; L238-W245 HydrophobicContact CD1-CE3 3.87Å; L238-W245 HydrophobicContact CD1-CZ3 4.46Å; L238-L249 HydrophobicContact CD1-CD2 4.06Å; L238-L249 HydrophobicContact CD2-CD2 4.18Å; L238-L249 HydrophobicContact CG-CD2 4.42Å
239N98.5Very high98.2Very high130 Ų13053.9 Ų53.970%0.69526%0.26SS*.Hα-helixtrans-62.4-45172.5-176.776.2000111.5R235 I237 L241 D242R235-N239 VanDerWaalsContact O-CB 3.24Å; R235-N239 WeakPolarHBondContact O-CB 3.13Å; R235-N239 PolarHBondContact O-N 3.23Å; I237-N239 PolarHBondContact O-N 2.56Å; N239-L241 PolarHBondContact O-N 3.27Å; N239-D242 PolarHBondContact O-N 3.27Å
240F98.5Very high98.2Very high25 Ų2553.9 Ų53.911%0.1126%0.26CS..Hα-helixtrans-59.2-35.2173.2165.2-104.3000111.7K163 I165 R217 M219 K236 I237K163-F240 HydrophobicContact CB-CE1 3.94Å; K163-F240 HydrophobicContact CB-CZ 3.97Å; K163-F240 HydrophobicContact CD-CE1 4.34Å; K163-F240 HydrophobicContact CD-CE2 4.47Å; K163-F240 HydrophobicContact CD-CZ 4.23Å; K163-F240 WeakPolarHBondContact CD-O 3.14Å; K163-F240 VanDerWaalsContact CE-O 3.29Å; K163-F240 WeakPolarHBondContact CE-O 3.38Å; K163-F240 HydrophobicContact CG-CZ 4.27Å; K163-F240 PolarHBondContact NZ-O 3.13Å; I165-F240 HydrophobicContact CG1-CE1 4.19Å; R217-F240 WeakPolarHBondContact O-CZ 3.49Å; M219-F240 HydrophobicContact CB-CD1 3.69Å; M219-F240 HydrophobicContact CB-CD2 3.91Å; M219-F240 HydrophobicContact CB-CE1 3.63Å; M219-F240 HydrophobicContact CB-CE2 3.85Å; M219-F240 HydrophobicContact CB-CG 3.82Å; M219-F240 HydrophobicContact CB-CZ 3.71Å; M219-F240 HydrophobicContact CG-CD1 4.43Å; M219-F240 HydrophobicContact CG-CG 4.35Å; M219-F240 HydrophobicContact SD-CB 3.64Å; M219-F240 HydrophobicContact SD-CD1 3.91Å; M219-F240 HydrophobicContact SD-CG 3.77Å; K236-F240 WeakPolarHBondContact O-CB 3.47Å; K236-F240 PolarHBondContact O-N 2.63Å; I237-F240 CarbonylContact O-C 3.35Å; I237-F240 WeakPolarHBondContact O-CB 3.41Å; I237-F240 PolarHBondContact O-N 2.86Å
241L98.6Very high98.1Very high0 Ų055.4 Ų55.40%027%0.266CS..Hα-helixtrans-84.2-6.6179.5-67.3177.8000114.1I60 L77 R140 K163 I165 I237 L238 N239 I243I60-L241 HydrophobicContact CD1-CD1 3.86Å; I60-L241 HydrophobicContact CD1-CD2 4.26Å; I60-L241 HydrophobicContact CG1-CD1 4.48Å; I60-L241 HydrophobicContact CG1-CD2 4Å; I60-L241 HydrophobicContact CG2-CD1 4.43Å; I60-L241 HydrophobicContact CG2-CD2 4.06Å; L77-L241 HydrophobicContact CD1-CD1 3.87Å; L77-L241 HydrophobicContact CD2-CD1 3.99Å; R140-L241 VanDerWaalsContact CZ-O 3.31Å; R140-L241 PolarHBondContact NH1-O 2.64Å; K163-L241 HydrophobicContact CB-CD2 3.83Å; K163-L241 HydrophobicContact CD-CD2 4.25Å; I165-L241 HydrophobicContact CD1-CD1 4.01Å; I165-L241 HydrophobicContact CD1-CD2 4.27Å; I165-L241 HydrophobicContact CD1-CG 4.37Å; I237-L241 HydrophobicContact CG2-CD1 3.92Å; I237-L241 HydrophobicContact CG2-CG 4.39Å; I237-L241 WeakPolarHBondContact O-CB 3.46Å; I237-L241 VanDerWaalsContact O-CG 3.27Å; I237-L241 WeakPolarHBondContact O-CG 3.36Å; I237-L241 PolarHBondContact O-N 3.01Å; L238-L241 CarbonylContact O-C 3.55Å; L238-L241 PolarHBondContact O-N 2.75Å; L238-L241 VanDerWaalsContact O-N 3.14Å; N239-L241 PolarHBondContact O-N 3.27Å; L241-I243 HydrophobicContact CB-CB 4.45Å; L241-I243 HydrophobicContact CB-CD1 3.67Å; L241-I243 HydrophobicContact CB-CG1 3.86Å; L241-I243 HydrophobicContact CD1-CD1 3.93Å; L241-I243 HydrophobicContact CG-CD1 4.45Å
242D98.2Very high98Very high116 Ų11650.9 Ų50.962%0.6225%0.247SC*.THydrogen-bonded Turntrans57.344.6-169.3-38.8-50.9000112.9K163 L238 N239K163-D242 IonicContact NZ-OD1 3.9Å; K163-D242 PolarHBondContact NZ-OD1 2.99Å; K163-D242 IonicContact NZ-OD2 2.67Å; K163-D242 PolarHBondContact NZ-OD2 2.6Å; L238-D242 PolarHBondContact O-N 2.91Å; N239-D242 PolarHBondContact O-N 3.27Å
243I98.2Very high97.9Very high13 Ų1349.2 Ų49.27%0.06724%0.242CC..  trans-119.2136.9180-61.6174.7000108.8I60 H80 V83 L238 L241I60-I243 HydrophobicContact CD1-CD1 3.97Å; H80-I243 WeakPolarHBondContact CE1-CG2 3.22Å; H80-I243 WeakPolarHBondContact NE2-CG2 3.41Å; V83-I243 HydrophobicContact CG2-CD1 3.51Å; L238-I243 HydrophobicContact CD2-CB 4.07Å; L238-I243 HydrophobicContact CD2-CG2 3.96Å; L238-I243 PolarHBondContact O-N 3.35Å; L241-I243 HydrophobicContact CB-CB 4.45Å; L241-I243 HydrophobicContact CB-CD1 3.67Å; L241-I243 HydrophobicContact CB-CG1 3.86Å; L241-I243 HydrophobicContact CD1-CD1 3.93Å; L241-I243 HydrophobicContact CG-CD1 4.45Å
244P98.2Very high97.8Very high76 Ų7654.5 Ų54.549%0.49427%0.267SS..  trans-63.6160.7176.827.7-35.8000112.1H80 M82H80-P244 PolarHBondContact NE2-O 3.27Å; M82-P244 VanDerWaalsContact SD-CD 3.53Å; M82-P244 HydrophobicContact SD-CG 3.68Å
245W98.5Very high97.6Very high76 Ų7657 Ų5729%0.28828%0.278SS..  trans-72.8141.5173.4176.7-93.9000111.4K231 I234 R235 L238 D247 L250K231-W245 HydrophobicContact CG-CH2 3.99Å; K231-W245 HydrophobicContact CG-CZ2 4.36Å; I234-W245 HydrophobicContact CB-CH2 4.43Å; I234-W245 HydrophobicContact CB-CZ3 3.94Å; I234-W245 HydrophobicContact CG2-CE3 4.31Å; I234-W245 HydrophobicContact CG2-CH2 4.16Å; I234-W245 HydrophobicContact CG2-CZ3 3.52Å; R235-W245 HydrophobicContact CG-CD2 4.43Å; R235-W245 HydrophobicContact CG-CE3 3.49Å; R235-W245 VanDerWaalsContact CG-CE3 3.49Å; R235-W245 HydrophobicContact CG-CH2 4.49Å; R235-W245 HydrophobicContact CG-CZ3 3.52Å; L238-W245 HydrophobicContact CD1-CE3 3.87Å; L238-W245 HydrophobicContact CD1-CZ3 4.46Å; W245-D247 PolarHBondContact NE1-OD1 3.11Å; W245-L250 HydrophobicContact CH2-CD1 4.11Å; W245-L250 HydrophobicContact CH2-CD2 4.2Å; W245-L250 HydrophobicContact CH2-CG 3.94Å; W245-L250 HydrophobicContact CZ2-CD1 3.77Å; W245-L250 HydrophobicContact CZ2-CG 3.92Å
246D98.2Very high97.3Very high34 Ų3451 Ų5118%0.18226%0.255CS..  trans-134.3131.1167.6-173.3-49.7000109.4P81 K248 L249P81-D246 WeakPolarHBondContact CD-OD2 3.44Å; P81-D246 WeakPolarHBondContact CG-OD2 3.1Å; D246-K248 PolarHBondContact O-N 3.18Å; D246-K248 WeakPolarHBondContact OD1-CB 3.23Å; D246-K248 WeakPolarHBondContact OD1-CG 3Å; D246-K248 PolarHBondContact OD1-N 3.49Å; D246-L249 HydrophobicContact CB-CD1 3.68Å; D246-L249 WeakPolarHBondContact O-CD1 3.47Å; D246-L249 PolarHBondContact O-N 3.2Å
247D97.3Very high96.9Very high107 Ų10752.6 Ų52.657%0.57227%0.267SS*.G310 helixtrans-68.4-18.8-176.3-75.5-41.8000113.6W245 L249 L250W245-D247 PolarHBondContact NE1-OD1 3.11Å; D247-L249 PolarHBondContact O-N 3.15Å; D247-L249 VanDerWaalsContact O-N 3.16Å; D247-L250 PolarHBondContact O-N 3.2Å
248K96.7Very high96.5Very high70 Ų7058.9 Ų58.930%0.30430%0.301SS..G310 helixtrans-58-28.1175.3-68173.5-176.6167.30112.2D246 L250 N251 H252 F255D246-K248 PolarHBondContact O-N 3.18Å; D246-K248 WeakPolarHBondContact OD1-CB 3.23Å; D246-K248 WeakPolarHBondContact OD1-CG 3Å; D246-K248 PolarHBondContact OD1-N 3.49Å; K248-L250 PolarHBondContact O-N 3.08Å; K248-N251 CarbonylContact O-C 3.51Å; K248-N251 PolarHBondContact O-N 3.1Å; K248-H252 WeakPolarHBondContact O-CA 2.97Å; K248-H252 PolarHBondContact O-N 3.19Å; K248-F255 HydrophobicContact CB-CD2 3.79Å; K248-F255 HydrophobicContact CB-CE2 3.82Å; K248-F255 HydrophobicContact CB-CG 4.41Å; K248-F255 HydrophobicContact CB-CZ 4.44Å; K248-F255 HydrophobicContact CD-CD1 4.34Å; K248-F255 HydrophobicContact CD-CE1 4.41Å; K248-F255 HydrophobicContact CD-CG 4.41Å; K248-F255 HydrophobicContact CG-CD1 4.37Å; K248-F255 HydrophobicContact CG-CD2 3.93Å; K248-F255 HydrophobicContact CG-CE1 4.13Å; K248-F255 HydrophobicContact CG-CE2 3.68Å; K248-F255 HydrophobicContact CG-CG 4.28Å; K248-F255 HydrophobicContact CG-CZ 3.79Å
249L97.6Very high96Very high0 Ų063 Ų630%032%0.322CS..G310 helixtrans-63.3-31-177.8-78.582.4000112.3L76 V79 H80 I234 L238 D246 D247 N251L76-L249 WeakPolarHBondContact CD2-O 3.41Å; L76-L249 WeakPolarHBondContact O-CD2 3.44Å; L76-L249 VanDerWaalsContact O-CG 3.31Å; L76-L249 WeakPolarHBondContact O-CG 3.31Å; V79-L249 HydrophobicContact CG2-CG 4.32Å; H80-L249 HydrophobicContact CB-CD1 4.03Å; I234-L249 HydrophobicContact CD1-CB 4.38Å; I234-L249 HydrophobicContact CG2-CB 4.19Å; I234-L249 HydrophobicContact CG2-CD2 3.51Å; I234-L249 HydrophobicContact CG2-CG 4.5Å; L238-L249 HydrophobicContact CD1-CD2 4.06Å; L238-L249 HydrophobicContact CD2-CD2 4.18Å; L238-L249 HydrophobicContact CG-CD2 4.42Å; D246-L249 HydrophobicContact CB-CD1 3.68Å; D246-L249 WeakPolarHBondContact O-CD1 3.47Å; D246-L249 PolarHBondContact O-N 3.2Å; D247-L249 PolarHBondContact O-N 3.15Å; D247-L249 VanDerWaalsContact O-N 3.16Å; L249-N251 VanDerWaalsContact C-N 3.27Å; L249-N251 PolarHBondContact O-N 2.91Å
250L97.4Very high95.5Very high53 Ų5357.3 Ų57.328%0.27729%0.293SS..G310 helixtrans-75.6-18.3176.7-68.6178000113.4P230 K231 I234 W245 D247 K248P230-L250 HydrophobicContact CB-CD2 4.24Å; K231-L250 HydrophobicContact CB-CD1 4.31Å; K231-L250 HydrophobicContact CB-CD2 3.97Å; K231-L250 HydrophobicContact CD-CD1 4.18Å; K231-L250 HydrophobicContact CG-CD1 4.22Å; I234-L250 HydrophobicContact CD1-CD2 4.14Å; W245-L250 HydrophobicContact CH2-CD1 4.11Å; W245-L250 HydrophobicContact CH2-CD2 4.2Å; W245-L250 HydrophobicContact CH2-CG 3.94Å; W245-L250 HydrophobicContact CZ2-CD1 3.77Å; W245-L250 HydrophobicContact CZ2-CG 3.92Å; D247-L250 PolarHBondContact O-N 3.2Å; K248-L250 PolarHBondContact O-N 3.08Å
251N96.7Very high95.2Very high67 Ų6759.4 Ų59.436%0.35830%0.303SS..G310 helixtrans-12836.1-176.3-54.3-81.3000110.5K248 L249 E253 Q254 F255K248-N251 CarbonylContact O-C 3.51Å; K248-N251 PolarHBondContact O-N 3.1Å; L249-N251 VanDerWaalsContact C-N 3.27Å; L249-N251 PolarHBondContact O-N 2.91Å; N251-E253 WeakPolarHBondContact CA-OE2 3.31Å; N251-E253 PolarHBondContact O-N 3.45Å; N251-E253 VanDerWaalsContact O-N 3.09Å; N251-Q254 HydrophobicContact CB-CG 4.33Å; N251-Q254 WeakPolarHBondContact O-CB 3.46Å; N251-Q254 PolarHBondContact O-N 3.23Å; N251-F255 HydrophobicContact CB-CE2 4.24Å; N251-F255 VanDerWaalsContact O-CD2 3.22Å; N251-F255 WeakPolarHBondContact O-CD2 3.41Å
252H96.7Very high94.7Very high2 Ų262.5 Ų62.51%0.00932%0.319CS..G310 helixtrans-53.8-32.6-172.469-73.7000113.1I75 L76 V79 K248 Q254 F255 V256 K274I75-H252 VanDerWaalsContact CG2-CD2 3.43Å; I75-H252 WeakPolarHBondContact CG2-CD2 3.5Å; L76-H252 HydrophobicContact CD2-CB 4.17Å; V79-H252 HydrophobicContact CG1-CB 4.12Å; V79-H252 HydrophobicContact CG2-CB 3.79Å; K248-H252 WeakPolarHBondContact O-CA 2.97Å; K248-H252 PolarHBondContact O-N 3.19Å; H252-Q254 PolarHBondContact O-N 3.05Å; H252-F255 PolarHBondContact O-N 3.26Å; H252-V256 WeakPolarHBondContact O-CB 3.47Å; H252-V256 PolarHBondContact O-N 3.02Å; H252-K274 PolarHBondContact CE1-O 2.97Å; H252-K274 PolarHBondContact NE2-O 2.84Å
253E95.6Very high94.2Very high34 Ų3459.4 Ų59.416%0.15930%0.303CS..G310 helixtrans-59.7-25.5178.772.8-70163.600113.3N251 F255 P275N251-E253 WeakPolarHBondContact CA-OE2 3.31Å; N251-E253 PolarHBondContact O-N 3.45Å; N251-E253 VanDerWaalsContact O-N 3.09Å; E253-F255 VanDerWaalsContact C-N 3.34Å; E253-P275 HydrophobicContact CG-CG 4.02Å
254Q95.6Very high93.8Very high124 Ų12466.1 Ų66.158%0.57933%0.332SS*.G310 helixtrans-78.5-20.3177.2-58.3179.919.700112.5N251 H252N251-Q254 HydrophobicContact CB-CG 4.33Å; N251-Q254 WeakPolarHBondContact O-CB 3.46Å; N251-Q254 PolarHBondContact O-N 3.23Å; H252-Q254 PolarHBondContact O-N 3.05Å
255F94.8Very high93.3Very high58 Ų5871.3 Ų71.325%0.25434%0.343SS..THydrogen-bonded Turntrans-113.4-21.6-172.9-56.5-75.1000113.2V79 K248 N251 H252 E253 N257 N258 L259V79-F255 HydrophobicContact CB-CB 4.47Å; V79-F255 HydrophobicContact CG1-CB 4.16Å; K248-F255 HydrophobicContact CB-CD2 3.79Å; K248-F255 HydrophobicContact CB-CE2 3.82Å; K248-F255 HydrophobicContact CB-CG 4.41Å; K248-F255 HydrophobicContact CB-CZ 4.44Å; K248-F255 HydrophobicContact CD-CD1 4.34Å; K248-F255 HydrophobicContact CD-CE1 4.41Å; K248-F255 HydrophobicContact CD-CG 4.41Å; K248-F255 HydrophobicContact CG-CD1 4.37Å; K248-F255 HydrophobicContact CG-CD2 3.93Å; K248-F255 HydrophobicContact CG-CE1 4.13Å; K248-F255 HydrophobicContact CG-CE2 3.68Å; K248-F255 HydrophobicContact CG-CG 4.28Å; K248-F255 HydrophobicContact CG-CZ 3.79Å; N251-F255 HydrophobicContact CB-CE2 4.24Å; N251-F255 VanDerWaalsContact O-CD2 3.22Å; N251-F255 WeakPolarHBondContact O-CD2 3.41Å; H252-F255 PolarHBondContact O-N 3.26Å; E253-F255 VanDerWaalsContact C-N 3.34Å; F255-N257 VanDerWaalsContact C-N 3.3Å; F255-N257 PolarHBondContact O-N 2.85Å; F255-N258 PolarHBondContact O-N 3.39Å; F255-L259 HydrophobicContact CB-CD1 3.83Å; F255-L259 HydrophobicContact CB-CG 4.27Å; F255-L259 HydrophobicContact CG-CD1 4.5Å; F255-L259 PolarHBondContact O-N 3.33Å
256V92.3Very high92.8Very high0 Ų068 Ų680%033%0.33CS..Hα-helixtrans-55.7-41.1-169.770.20000113.7I75 H252 N258 S260 I262 F272 V273I75-V256 HydrophobicContact CD1-CG2 3.34Å; I75-V256 HydrophobicContact CG1-CB 4.34Å; I75-V256 HydrophobicContact CG1-CG2 3.35Å; H252-V256 WeakPolarHBondContact O-CB 3.47Å; H252-V256 PolarHBondContact O-N 3.02Å; V256-N258 PolarHBondContact O-N 2.96Å; V256-S260 WeakPolarHBondContact O-CB 3.27Å; V256-S260 PolarHBondContact O-N 3.22Å; V256-I262 HydrophobicContact CG2-CD1 4.12Å; V256-I262 HydrophobicContact CG2-CG1 4.41Å; V256-F272 HydrophobicContact CG2-CB 4.26Å; V256-V273 HydrophobicContact CG1-CB 4.47Å; V256-V273 HydrophobicContact CG1-CG1 3.82Å
257N90.5Very high92.3Very high110 Ų11068.9 Ų68.959%0.58834%0.343SS*.Hα-helixtrans-68.5-22.8-178.6-70.3-31.7000113F255F255-N257 VanDerWaalsContact C-N 3.3Å; F255-N257 PolarHBondContact O-N 2.85Å
258N89Confident91.8Very high138 Ų13864.7 Ų64.774%0.73832%0.322SS*.Hα-helixtrans-98.7-30.8-178.3-65.2-21.8000112.3F255 V256F255-N258 PolarHBondContact O-N 3.39Å; V256-N258 PolarHBondContact O-N 2.96Å
259L88.7Confident91.4Very high89 Ų8962 Ų6247%0.46631%0.312SS..Hα-helixtrans-106.8-24.9-171.2-60.1-174.5000113.9F255F255-L259 HydrophobicContact CB-CD1 3.83Å; F255-L259 HydrophobicContact CB-CG 4.27Å; F255-L259 HydrophobicContact CG-CD1 4.5Å; F255-L259 PolarHBondContact O-N 3.33Å
260S89Confident91.1Very high11 Ų1166.8 Ų66.88%0.07734%0.341CS..SBendtrans-113.3141.9-174.7164.40000112.4R74 I75 D78 V256 I262R74-S260 PolarHBondContact NH2-OG 3.5Å; I75-S260 WeakPolarHBondContact CD1-OG 3.12Å; D78-S260 PolarHBondContact OD2-OG 3.46Å; D78-S260 VanDerWaalsContact OD2-OG 3.13Å; V256-S260 WeakPolarHBondContact O-CB 3.27Å; V256-S260 PolarHBondContact O-N 3.22Å; S260-I262 PolarHBondContact O-N 2.86Å
261M90.5Very high90.8Very high69 Ų6967.4 Ų67.434%0.3434%0.342SS..  trans-81.9103.7171.5-65177.8-68.200110.3R74 M134R74-M261 PolarHBondContact NH2-O 2.95Å; M134-M261 VanDerWaalsContact O-CE 3.31Å; M134-M261 WeakPolarHBondContact O-CE 3.44Å
262I88.6Confident90.6Very high65 Ų6564.4 Ų64.433%0.33333%0.326SS..  trans-87.1113.9179-57.2175.9000110.1V256 S260 F272 V273V256-I262 HydrophobicContact CG2-CD1 4.12Å; V256-I262 HydrophobicContact CG2-CG1 4.41Å; S260-I262 PolarHBondContact O-N 2.86Å; I262-F272 HydrophobicContact CG1-CD2 4.48Å; I262-F272 HydrophobicContact CG2-CD2 4.34Å; I262-V273 HydrophobicContact CD1-CG1 4.35Å
263N88.8Confident90.4Very high52 Ų5267.5 Ų67.528%0.27835%0.345SS..  trans-85.8115168.3177.93.9000110P87 Y265 E266 S269P87-N263 HydrophobicContact CB-CB 3.78Å; N263-Y265 PolarHBondContact O-N 2.75Å; N263-Y265 VanDerWaalsContact O-N 3.08Å; N263-Y265 WeakPolarHBondContact OD1-CB 3.45Å; N263-Y265 VanDerWaalsContact OD1-CD2 3.31Å; N263-Y265 WeakPolarHBondContact OD1-CD2 3.37Å; N263-Y265 PolarHBondContact OD1-N 3.34Å; N263-E266 HydrophobicContact CB-CG 4.07Å; N263-E266 WeakPolarHBondContact CB-OE1 3.5Å; N263-E266 WeakPolarHBondContact O-CB 3.24Å; N263-E266 PolarHBondContact O-N 3.01Å; N263-S269 WeakPolarHBondContact O-CB 3.41Å
264K88.1Confident90.3Very high154 Ų15471 Ų7167%0.6736%0.359SS*.THydrogen-bonded Turntrans-59.6-19.4179.468.9-177.1-178.3-177.90114.6
265Y88Confident90.4Very high185 Ų18568.6 Ų68.673%0.72536%0.355SS*.THydrogen-bonded Turntrans-86.2-9.7177.6-58.1-71.2000113.1N263 A267N263-Y265 PolarHBondContact O-N 2.75Å; N263-Y265 VanDerWaalsContact O-N 3.08Å; N263-Y265 WeakPolarHBondContact OD1-CB 3.45Å; N263-Y265 VanDerWaalsContact OD1-CD2 3.31Å; N263-Y265 WeakPolarHBondContact OD1-CD2 3.37Å; N263-Y265 PolarHBondContact OD1-N 3.34Å; Y265-A267 PolarHBondContact O-N 3.04Å
266E89.6Confident90.5Very high6 Ų667.6 Ų67.63%0.02835%0.353CS..SBendtrans-72.2128.9170.6-75.8179.3-112.800110.1R74 P87 E88 K144 N263 S268 S269R74-E266 IonicContact CZ-OE1 2.96Å; R74-E266 IonicContact CZ-OE2 3.17Å; R74-E266 IonicContact NH1-OE1 2.83Å; R74-E266 PolarHBondContact NH1-OE1 3.47Å; R74-E266 IonicContact NH1-OE2 3.19Å; R74-E266 PolarHBondContact NH1-OE2 3.48Å; P87-E266 VanDerWaalsContact CA-OE1 3.24Å; P87-E266 WeakPolarHBondContact CA-OE1 3.48Å; P87-E266 VanDerWaalsContact CB-OE1 3.27Å; P87-E266 WeakPolarHBondContact CB-OE1 3.49Å; E88-E266 HydrophobicContact CG-CG 4.01Å; E88-E266 PolarHBondContact N-OE1 3.12Å; K144-E266 IonicContact NZ-OE2 2.72Å; K144-E266 PolarHBondContact NZ-OE2 2.84Å; N263-E266 HydrophobicContact CB-CG 4.07Å; N263-E266 WeakPolarHBondContact CB-OE1 3.5Å; N263-E266 WeakPolarHBondContact O-CB 3.24Å; N263-E266 PolarHBondContact O-N 3.01Å; E266-S268 PolarHBondContact O-N 2.79Å; E266-S269 VanDerWaalsContact O-CB 3.26Å; E266-S269 WeakPolarHBondContact O-CB 3.4Å; E266-S269 PolarHBondContact O-N 3.44Å; E266-S269 PolarHBondContact O-OG 3.18Å
267A87.2Confident90.7Very high53 Ų5370.1 Ų70.144%0.43837%0.365SS..THydrogen-bonded Turntrans-55.2-33.6-176.900000113.3R181 I183 Y265R181-A267 PolarHBondContact NH2-O 3.34Å; I183-A267 HydrophobicContact CD1-CB 4.02Å; I183-A267 HydrophobicContact CG1-CB 3.87Å; Y265-A267 PolarHBondContact O-N 3.04Å
268S86.7Confident91Very high19 Ų1969.3 Ų69.313%0.13336%0.356CS..THydrogen-bonded Turntrans-86.9-4.8-178.553.70000114.6E266 V270 Q271 F272E266-S268 PolarHBondContact O-N 2.79Å; S268-V270 VanDerWaalsContact C-N 3.29Å; S268-V270 PolarHBondContact O-N 3.04Å; S268-Q271 WeakPolarHBondContact O-CB 3.14Å; S268-Q271 PolarHBondContact O-N 3.23Å; S268-F272 VanDerWaalsContact CB-CE1 3.48Å; S268-F272 VanDerWaalsContact O-CD1 3.27Å; S268-F272 WeakPolarHBondContact O-CD1 3.46Å; S268-F272 WeakPolarHBondContact O-CE1 3.32Å; S268-F272 PolarHBondContact O-N 3.37Å; S268-F272 WeakPolarHBondContact OG-CE1 3.31Å; S268-F272 WeakPolarHBondContact OG-CZ 3.37Å
269S89Confident91.2Very high13 Ų1368.6 Ų68.69%0.09135%0.348CS..G310 helixtrans-52.8-42.6-173.955.80000113.6N263 E266 Q271 F272N263-S269 WeakPolarHBondContact O-CB 3.41Å; E266-S269 VanDerWaalsContact O-CB 3.26Å; E266-S269 WeakPolarHBondContact O-CB 3.4Å; E266-S269 PolarHBondContact O-N 3.44Å; E266-S269 PolarHBondContact O-OG 3.18Å; S269-Q271 PolarHBondContact O-N 2.9Å; S269-Q271 VanDerWaalsContact O-N 3.15Å; S269-F272 WeakPolarHBondContact O-CB 3.34Å; S269-F272 PolarHBondContact O-N 2.62Å
270V89.8Confident91.5Very high101 Ų10165.7 Ų65.761%0.61234%0.335SS*.G310 helixtrans-65.9-13.9178.5-58.50000114.6S268S268-V270 VanDerWaalsContact C-N 3.29Å; S268-V270 PolarHBondContact O-N 3.04Å
271Q91.8Very high91.9Very high65 Ų6566 Ų6630%0.30434%0.336SS..G310 helixtrans-96.5-18.3178.7-64.6171.642.500112.2S268 S269 V273 K274S268-Q271 WeakPolarHBondContact O-CB 3.14Å; S268-Q271 PolarHBondContact O-N 3.23Å; S269-Q271 PolarHBondContact O-N 2.9Å; S269-Q271 VanDerWaalsContact O-N 3.15Å; Q271-V273 PolarHBondContact O-N 2.7Å; Q271-K274 WeakPolarHBondContact O-CB 3.5Å; Q271-K274 PolarHBondContact O-N 3.44Å; Q271-K274 VanDerWaalsContact O-N 3.11Å
272F91.9Very high92.1Very high5 Ų565.2 Ų65.22%0.02233%0.333CS..THydrogen-bonded Turntrans-65.3-23.2-173.6-66.2-15.5000114.4G71 I75 V256 I262 S268 S269 K274G71-F272 VanDerWaalsContact O-CE1 3.32Å; G71-F272 WeakPolarHBondContact O-CE1 3.4Å; I75-F272 HydrophobicContact CB-CD1 4.23Å; I75-F272 HydrophobicContact CB-CG 4.42Å; I75-F272 HydrophobicContact CD1-CB 4.39Å; I75-F272 HydrophobicContact CD1-CD2 4.1Å; I75-F272 HydrophobicContact CD1-CG 4.2Å; I75-F272 HydrophobicContact CG1-CB 4.07Å; I75-F272 HydrophobicContact CG1-CD1 4.43Å; I75-F272 HydrophobicContact CG1-CG 4.13Å; I75-F272 HydrophobicContact CG2-CD1 4.37Å; V256-F272 HydrophobicContact CG2-CB 4.26Å; I262-F272 HydrophobicContact CG1-CD2 4.48Å; I262-F272 HydrophobicContact CG2-CD2 4.34Å; S268-F272 VanDerWaalsContact CB-CE1 3.48Å; S268-F272 VanDerWaalsContact O-CD1 3.27Å; S268-F272 WeakPolarHBondContact O-CD1 3.46Å; S268-F272 WeakPolarHBondContact O-CE1 3.32Å; S268-F272 PolarHBondContact O-N 3.37Å; S268-F272 WeakPolarHBondContact OG-CE1 3.31Å; S268-F272 WeakPolarHBondContact OG-CZ 3.37Å; S269-F272 WeakPolarHBondContact O-CB 3.34Å; S269-F272 PolarHBondContact O-N 2.62Å; F272-K274 VanDerWaalsContact C-N 3.34Å
273V92Very high92.4Very high66 Ų6663.2 Ų63.240%0.433%0.326SS..THydrogen-bonded Turntrans-93.28.1179.2-61.20000113V256 I262 Q271V256-V273 HydrophobicContact CG1-CB 4.47Å; V256-V273 HydrophobicContact CG1-CG1 3.82Å; I262-V273 HydrophobicContact CD1-CG1 4.35Å; Q271-V273 PolarHBondContact O-N 2.7Å
274K95Very high92.8Very high107 Ų10760.7 Ų60.747%0.46531%0.313SS..SBendtrans-106.2143.5179.5-61.8-176.3-178.8-174.90109.8H252 Q271 F272H252-K274 PolarHBondContact CE1-O 2.97Å; H252-K274 PolarHBondContact NE2-O 2.84Å; Q271-K274 WeakPolarHBondContact O-CB 3.5Å; Q271-K274 PolarHBondContact O-N 3.44Å; Q271-K274 VanDerWaalsContact O-N 3.11Å; F272-K274 VanDerWaalsContact C-N 3.34Å
275P96.5Very high93.1Very high75 Ų7554.5 Ų54.549%0.48729%0.289SS..  trans-54.6157170.2-22.631.6000111.8E253 H277E253-P275 HydrophobicContact CG-CG 4.02Å; P275-H277 WeakPolarHBondContact O-CB 3.42Å; P275-H277 PolarHBondContact O-CD2 3.1Å; P275-H277 VanDerWaalsContact O-CD2 3.27Å; P275-H277 PolarHBondContact O-N 3.04Å
276V97.1Very high93.5Very high37 Ų3749.6 Ų49.622%0.22427%0.271CS..  trans-58.5130.6170.1179.30000109.4L72 V227 P230L72-V276 HydrophobicContact CD1-CG2 4.13Å; V227-V276 HydrophobicContact CB-CG1 3.85Å; V227-V276 HydrophobicContact CG1-CG1 3.93Å; P230-V276 HydrophobicContact CB-CG1 4.4Å
277H96.4Very high93.6Very high53 Ų5356.1 Ų56.125%0.24531%0.306CS..  trans-147.4151.4-164.275.972.1000111.9P275 E279P275-H277 WeakPolarHBondContact O-CB 3.42Å; P275-H277 PolarHBondContact O-CD2 3.1Å; P275-H277 VanDerWaalsContact O-CD2 3.27Å; P275-H277 PolarHBondContact O-N 3.04Å; H277-E279 WeakPolarHBondContact CB-OE2 3.31Å; H277-E279 IonicContact CE1-OE2 3.46Å; H277-E279 IonicContact CG-OE2 3.68Å; H277-E279 IonicContact ND1-OE2 3.67Å; H277-E279 PolarHBondContact ND1-OE2 2.89Å
278K96.7Very high93.9Very high93 Ų9360.1 Ų60.140%0.40432%0.321SS..  trans-103.3-4.1-170.1-60.4-169.3-168.6-1610114.4I228 S280 L281 E321I228-K278 HydrophobicContact CG1-CD 4.21Å; I228-K278 PolarHBondContact O-NZ 3.37Å; K278-S280 PolarHBondContact O-N 3.23Å; K278-L281 HydrophobicContact CB-CD1 3.84Å; K278-L281 HydrophobicContact CB-CG 4.38Å; K278-L281 HydrophobicContact CD-CD1 4.42Å; K278-L281 HydrophobicContact CG-CD1 4.2Å; K278-L281 WeakPolarHBondContact O-CB 3.11Å; K278-L281 VanDerWaalsContact O-CG 3.23Å; K278-L281 WeakPolarHBondContact O-CG 3.35Å; K278-L281 PolarHBondContact O-N 2.93Å; K278-L281 VanDerWaalsContact O-N 3.09Å; K278-E321 IonicContact NZ-OE1 3.37Å; K278-E321 PolarHBondContact NZ-OE1 3.44Å
279E94.3Very high94.3Very high123 Ų12360.2 Ų60.258%0.57532%0.321SS*.THydrogen-bonded Turntrans-61.8-22.3-169.7-63.178.7179.900113.5H277H277-E279 WeakPolarHBondContact CB-OE2 3.31Å; H277-E279 IonicContact CE1-OE2 3.46Å; H277-E279 IonicContact CG-OE2 3.68Å; H277-E279 IonicContact ND1-OE2 3.67Å; H277-E279 PolarHBondContact ND1-OE2 2.89Å
280S94.5Very high94.6Very high27 Ų2762.9 Ų62.919%0.18933%0.333CS..THydrogen-bonded Turntrans-92.1-4.5-178.287.90000114.3R169 Y223 K278R169-S280 PolarHBondContact NH2-O 2.98Å; R169-S280 PolarHBondContact NH2-OG 3.17Å; Y223-S280 PolarHBondContact OH-OG 3.38Å; K278-S280 PolarHBondContact O-N 3.23Å
281L96.7Very high94.9Very high17 Ų1758.2 Ų58.29%0.08931%0.305CS..SBendtrans-64.4-51.2-176.2-67.8-179000111.9Y223 E224 V227 I228 K278 W284 Y320Y223-L281 HydrophobicContact CD1-CD2 4.27Å; Y223-L281 HydrophobicContact CE1-CD2 4.03Å; E224-L281 HydrophobicContact CB-CD2 3.87Å; E224-L281 HydrophobicContact CG-CD2 3.57Å; V227-L281 HydrophobicContact CG2-CD1 4.14Å; V227-L281 HydrophobicContact CG2-CD2 3.65Å; V227-L281 HydrophobicContact CG2-CG 4.1Å; I228-L281 HydrophobicContact CD1-CD1 4.01Å; I228-L281 HydrophobicContact CG1-CD1 3.88Å; K278-L281 HydrophobicContact CB-CD1 3.84Å; K278-L281 HydrophobicContact CB-CG 4.38Å; K278-L281 HydrophobicContact CD-CD1 4.42Å; K278-L281 HydrophobicContact CG-CD1 4.2Å; K278-L281 WeakPolarHBondContact O-CB 3.11Å; K278-L281 VanDerWaalsContact O-CG 3.23Å; K278-L281 WeakPolarHBondContact O-CG 3.35Å; K278-L281 PolarHBondContact O-N 2.93Å; K278-L281 VanDerWaalsContact O-N 3.09Å; L281-W284 VanDerWaalsContact O-CD1 3.24Å; L281-W284 PolarHBondContact O-NE1 2.87Å; L281-Y320 HydrophobicContact CB-CD2 4Å; L281-Y320 HydrophobicContact CB-CE2 4.01Å; L281-Y320 WeakPolarHBondContact O-CE2 3.42Å; L281-Y320 PolarHBondContact O-OH 3.36Å
282D94.9Very high95.1Very high54 Ų5458.2 Ų58.229%0.28931%0.311SS..SBendtrans-102.9-2.2-173.866.6-16000113.6W284 S285 K286 P317D282-W284 PolarHBondContact O-N 3.36Å; D282-S285 PolarHBondContact O-N 2.89Å; D282-S285 PolarHBondContact O-OG 3.41Å; D282-K286 PolarHBondContact O-N 3.05Å; D282-K286 WeakPolarHBondContact OD1-CE 3.1Å; D282-K286 IonicContact OD1-NZ 3.7Å; D282-K286 PolarHBondContact OD1-NZ 3.05Å; D282-K286 WeakPolarHBondContact OD2-CE 3.41Å; D282-K286 IonicContact OD2-NZ 3.52Å; D282-K286 PolarHBondContact OD2-NZ 2.7Å; D282-P317 HydrophobicContact CB-CB 4.47Å; D282-P317 HydrophobicContact CB-CG 3.88Å
283A96.2Very high95.1Very high22 Ų2265.9 Ų65.918%0.18234%0.339CS..G310 helixtrans-53.7-33.2-173.600000113.8M176 S285 K286M176-A283 HydrophobicContact CE-CB 3.79Å; M176-A283 HydrophobicContact SD-CB 4.46Å; A283-S285 PolarHBondContact O-N 3.09Å; A283-K286 PolarHBondContact O-N 2.77Å
284W96.3Very high95.1Very high0 Ų067.9 Ų67.90%035%0.348CS..G310 helixtrans-67.9-19.9177.364.8-93.8000114.2R172 M176 L281 D282 S289 I291 I296 I316 P317 Y320R172-W284 HydrophobicContact CB-CB 4.47Å; R172-W284 HydrophobicContact CB-CD2 3.57Å; R172-W284 HydrophobicContact CB-CE3 3.71Å; R172-W284 HydrophobicContact CB-CG 3.93Å; R172-W284 HydrophobicContact CB-CZ2 4.4Å; R172-W284 HydrophobicContact CB-CZ3 4.21Å; R172-W284 HydrophobicContact CG-CE3 4.27Å; R172-W284 HydrophobicContact CG-CZ3 4.34Å; M176-W284 HydrophobicContact CB-CB 4.15Å; M176-W284 HydrophobicContact CG-CB 4.46Å; M176-W284 WeakPolarHBondContact SD-CA 3.37Å; M176-W284 HydrophobicContact SD-CB 3.83Å; L281-W284 VanDerWaalsContact O-CD1 3.24Å; L281-W284 PolarHBondContact O-NE1 2.87Å; D282-W284 PolarHBondContact O-N 3.36Å; W284-S289 VanDerWaalsContact O-CB 3.3Å; W284-S289 WeakPolarHBondContact O-CB 3.45Å; W284-S289 PolarHBondContact O-OG 3.06Å; W284-I291 HydrophobicContact CB-CD1 4.24Å; W284-I296 HydrophobicContact CE3-CG1 4.28Å; W284-I296 HydrophobicContact CE3-CG2 4.43Å; W284-I296 HydrophobicContact CZ3-CG1 4.43Å; W284-I296 HydrophobicContact CZ3-CG2 3.76Å; W284-I296 VanDerWaalsContact O-CD1 3.28Å; W284-I296 WeakPolarHBondContact O-CD1 3.34Å; W284-I316 HydrophobicContact CH2-CG2 3.75Å; W284-I316 HydrophobicContact CZ3-CG2 3.76Å; W284-P317 HydrophobicContact CH2-CB 4.08Å; W284-P317 HydrophobicContact CZ2-CB 3.58Å; W284-Y320 WeakPolarHBondContact CZ2-OH 3.26Å; W284-Y320 PolarHBondContact NE1-OH 2.87Å
285S95.5Very high95.1Very high23 Ų2364.2 Ų64.216%0.16133%0.333CS..G310 helixtrans-99.5-11.1-177.669.60000113.8D282 A283 P317D282-S285 PolarHBondContact O-N 2.89Å; D282-S285 PolarHBondContact O-OG 3.41Å; A283-S285 PolarHBondContact O-N 3.09Å; S285-P317 VanDerWaalsContact OG-CD 3.3Å; S285-P317 WeakPolarHBondContact OG-CD 3.49Å
286K95.1Very high94.9Very high82 Ų8261 Ų6136%0.35731%0.312SS..SBendtrans-69.9155.8-178.6-68.7178.9-178157.30111.3D282 A283 N288 S289D282-K286 PolarHBondContact O-N 3.05Å; D282-K286 WeakPolarHBondContact OD1-CE 3.1Å; D282-K286 IonicContact OD1-NZ 3.7Å; D282-K286 PolarHBondContact OD1-NZ 3.05Å; D282-K286 WeakPolarHBondContact OD2-CE 3.41Å; D282-K286 IonicContact OD2-NZ 3.52Å; D282-K286 PolarHBondContact OD2-NZ 2.7Å; A283-K286 PolarHBondContact O-N 2.77Å; K286-N288 VanDerWaalsContact CB-OD1 3.24Å; K286-N288 WeakPolarHBondContact CB-OD1 3.45Å; K286-N288 PolarHBondContact O-N 3.09Å; K286-N288 VanDerWaalsContact O-N 3.13Å; K286-S289 WeakPolarHBondContact O-CB 3.47Å; K286-S289 PolarHBondContact O-N 3.05Å
287N92.6Very high94.7Very high143 Ų14363.5 Ų63.577%0.76532%0.321SS*.THydrogen-bonded Turntrans-60.6-23.7-179.8-72.8-25.2000114.2
288N93.3Very high94.5Very high138 Ų13863.7 Ų63.774%0.73833%0.326SS*.THydrogen-bonded Turntrans-94.710.2176.467.3-24.4000113.3K286K286-N288 VanDerWaalsContact CB-OD1 3.24Å; K286-N288 WeakPolarHBondContact CB-OD1 3.45Å; K286-N288 PolarHBondContact O-N 3.09Å; K286-N288 VanDerWaalsContact O-N 3.13Å
289S95.7Very high94.3Very high20 Ų2059.4 Ų59.414%0.1431%0.307CS..  trans-62.4146.7172.8179.90000110.6W284 K286 I291W284-S289 VanDerWaalsContact O-CB 3.3Å; W284-S289 WeakPolarHBondContact O-CB 3.45Å; W284-S289 PolarHBondContact O-OG 3.06Å; K286-S289 WeakPolarHBondContact O-CB 3.47Å; K286-S289 PolarHBondContact O-N 3.05Å; S289-I291 PolarHBondContact O-N 3.49Å; S289-I291 PolarHBondContact OG-N 2.74Å; S289-I291 VanDerWaalsContact OG-N 3.1Å
290I95.2Very high94.1Very high69 Ų6953.8 Ų53.835%0.35428%0.281SS..SBendtrans-69.9-13.2169.860.5156.8000112.4M176 I179 V180 P292M176-I290 HydrophobicContact CG-CD1 4.16Å; M176-I290 HydrophobicContact CG-CG1 3.73Å; I179-I290 HydrophobicContact CB-CD1 3.78Å; I179-I290 HydrophobicContact CD1-CD1 4.33Å; I179-I290 HydrophobicContact CG2-CD1 3.48Å; I179-I290 VanDerWaalsContact CG2-CD1 3.48Å; V180-I290 HydrophobicContact CG2-CD1 3.67Å; V180-I290 HydrophobicContact CG2-CG1 4Å; V180-I290 HydrophobicContact CG2-CG2 4.13Å; I290-P292 WeakPolarHBondContact O-CD 3.48Å
291I95.9Very high93.7Very high4 Ų459.3 Ų59.32%0.02130%0.302CS..SBendtrans-87.6119.1178.8-50.4-173.8000108.8M176 I192 W284 S289 L295 I296 M299M176-I291 HydrophobicContact CB-CD1 4.05Å; M176-I291 HydrophobicContact CB-CG1 4.43Å; M176-I291 HydrophobicContact CG-CD1 4.48Å; M176-I291 HydrophobicContact CG-CG1 4.38Å; I192-I291 HydrophobicContact CD1-CB 4.43Å; I192-I291 HydrophobicContact CD1-CG1 4.26Å; I192-I291 HydrophobicContact CD1-CG2 4.32Å; I192-I291 HydrophobicContact CG2-CD1 4.48Å; I192-I291 HydrophobicContact CG2-CG2 4.29Å; W284-I291 HydrophobicContact CB-CD1 4.24Å; S289-I291 PolarHBondContact O-N 3.49Å; S289-I291 PolarHBondContact OG-N 2.74Å; S289-I291 VanDerWaalsContact OG-N 3.1Å; I291-L295 HydrophobicContact CG2-CB 4.09Å; I291-L295 HydrophobicContact CG2-CD2 4.29Å; I291-L295 HydrophobicContact CG2-CG 4.4Å; I291-I296 HydrophobicContact CB-CD1 4.33Å; I291-I296 HydrophobicContact CB-CG1 3.97Å; I291-I296 HydrophobicContact CG2-CD1 4.44Å; I291-I296 HydrophobicContact CG2-CG1 3.62Å; I291-I296 WeakPolarHBondContact O-CD1 3.48Å; I291-M299 HydrophobicContact CD1-CE 4.42Å; I291-M299 HydrophobicContact CD1-SD 4.41Å; I291-M299 HydrophobicContact CG2-SD 3.91Å
292P94.7Very high93.1Very high64 Ų6464.6 Ų64.642%0.41633%0.33SS..  trans-57.8145175.8-26.436.5000112.8I290 N294 L295 I296I290-P292 WeakPolarHBondContact O-CD 3.48Å; P292-N294 WeakPolarHBondContact CB-OD1 3.29Å; P292-N294 PolarHBondContact O-N 2.98Å; P292-L295 HydrophobicContact CB-CB 4.25Å; P292-L295 CarbonylContact O-C 3.6Å; P292-L295 WeakPolarHBondContact O-CA 3.41Å; P292-L295 WeakPolarHBondContact O-CB 3.16Å; P292-L295 PolarHBondContact O-N 2.99Å; P292-I296 PolarHBondContact O-N 3.38Å
293R92.5Very high93Very high166 Ų16662.2 Ų62.263%0.62632%0.318SS*.Hα-helixtrans-55.8-44.2-178-82.8-109.5-121.2147.7-0.2114L295 I296 E297R293-L295 PolarHBondContact O-N 3.06Å; R293-I296 WeakPolarHBondContact O-CB 3.48Å; R293-I296 PolarHBondContact O-N 3.12Å; R293-E297 PolarHBondContact O-N 2.87Å; R293-E297 VanDerWaalsContact O-N 3.15Å
294N92.5Very high92.8Very high108 Ų10864.6 Ų64.658%0.57833%0.333SS*.Hα-helixtrans-61.5-34175.965-47000111.7P292 T298P292-N294 WeakPolarHBondContact CB-OD1 3.29Å; P292-N294 PolarHBondContact O-N 2.98Å; N294-T298 WeakPolarHBondContact O-CB 3.36Å; N294-T298 PolarHBondContact O-N 2.96Å; N294-T298 VanDerWaalsContact O-N 3.1Å; N294-T298 PolarHBondContact O-OG1 3.33Å
295L94.4Very high92.8Very high30 Ų3064.6 Ų64.616%0.15733%0.333CS..Hα-helixtrans-75.2-40.6178.6-159.161.9000111.8I192 L193 I291 P292 R293 E297 T298 M299I192-L295 HydrophobicContact CB-CD2 3.56Å; I192-L295 HydrophobicContact CD1-CD2 3.93Å; I192-L295 HydrophobicContact CG1-CD2 4.31Å; I192-L295 HydrophobicContact CG2-CD2 3.63Å; L193-L295 HydrophobicContact CD1-CD1 3.79Å; L193-L295 HydrophobicContact CD2-CD1 3.6Å; L193-L295 HydrophobicContact CD2-CG 4.17Å; L193-L295 HydrophobicContact CG-CD1 3.63Å; L193-L295 HydrophobicContact CG-CG 4.42Å; I291-L295 HydrophobicContact CG2-CB 4.09Å; I291-L295 HydrophobicContact CG2-CD2 4.29Å; I291-L295 HydrophobicContact CG2-CG 4.4Å; P292-L295 HydrophobicContact CB-CB 4.25Å; P292-L295 CarbonylContact O-C 3.6Å; P292-L295 WeakPolarHBondContact O-CA 3.41Å; P292-L295 WeakPolarHBondContact O-CB 3.16Å; P292-L295 PolarHBondContact O-N 2.99Å; R293-L295 PolarHBondContact O-N 3.06Å; L295-E297 VanDerWaalsContact C-N 3.29Å; L295-E297 PolarHBondContact O-N 3.34Å; L295-T298 WeakPolarHBondContact O-CB 3.41Å; L295-T298 PolarHBondContact O-N 3.49Å; L295-T298 VanDerWaalsContact O-N 3.13Å; L295-M299 HydrophobicContact CG-CG 4.29Å; L295-M299 HydrophobicContact CG-SD 4.14Å; L295-M299 WeakPolarHBondContact O-CB 3.34Å; L295-M299 WeakPolarHBondContact O-CG 3.41Å; L295-M299 PolarHBondContact O-N 2.77Å
296I93.5Very high92.8Very high7 Ų763.5 Ų63.54%0.03633%0.325CS..Hα-helixtrans-50.5-50.7170.7-77.4164.4000110.5W284 I291 P292 R293 T298 H300 I316W284-I296 HydrophobicContact CE3-CG1 4.28Å; W284-I296 HydrophobicContact CE3-CG2 4.43Å; W284-I296 HydrophobicContact CZ3-CG1 4.43Å; W284-I296 HydrophobicContact CZ3-CG2 3.76Å; W284-I296 VanDerWaalsContact O-CD1 3.28Å; W284-I296 WeakPolarHBondContact O-CD1 3.34Å; I291-I296 HydrophobicContact CB-CD1 4.33Å; I291-I296 HydrophobicContact CB-CG1 3.97Å; I291-I296 HydrophobicContact CG2-CD1 4.44Å; I291-I296 HydrophobicContact CG2-CG1 3.62Å; I291-I296 WeakPolarHBondContact O-CD1 3.48Å; P292-I296 PolarHBondContact O-N 3.38Å; R293-I296 WeakPolarHBondContact O-CB 3.48Å; R293-I296 PolarHBondContact O-N 3.12Å; I296-T298 PolarHBondContact O-N 3.49Å; I296-H300 VanDerWaalsContact O-CB 3.29Å; I296-H300 WeakPolarHBondContact O-CB 3.49Å; I296-H300 PolarHBondContact O-N 3.35Å; I296-I316 HydrophobicContact CG2-CD1 4.15Å; I296-I316 HydrophobicContact CG2-CG2 3.42Å; I296-I316 VanDerWaalsContact CG2-CG2 3.42Å
297E91.3Very high92.7Very high90 Ų9061.9 Ų61.942%0.42133%0.327SS..Hα-helixtrans-63.6-41179-69.4175.4-167.200112.3R293 L295 H300 K301 I316R293-E297 PolarHBondContact O-N 2.87Å; R293-E297 VanDerWaalsContact O-N 3.15Å; L295-E297 VanDerWaalsContact C-N 3.29Å; L295-E297 PolarHBondContact O-N 3.34Å; E297-H300 WeakPolarHBondContact O-CB 3.31Å; E297-H300 PolarHBondContact O-N 2.96Å; E297-K301 PolarHBondContact O-N 3.13Å; E297-K301 VanDerWaalsContact O-N 3.12Å; E297-I316 HydrophobicContact CG-CD1 4.03Å
298T92.5Very high92.7Very high57 Ų5760 Ų6035%0.3531%0.314SS..Hα-helixtrans-63.5-49.5178.2-59.30000111.4N294 L295 I296 H300 K301 N302N294-T298 WeakPolarHBondContact O-CB 3.36Å; N294-T298 PolarHBondContact O-N 2.96Å; N294-T298 VanDerWaalsContact O-N 3.1Å; N294-T298 PolarHBondContact O-OG1 3.33Å; L295-T298 WeakPolarHBondContact O-CB 3.41Å; L295-T298 PolarHBondContact O-N 3.49Å; L295-T298 VanDerWaalsContact O-N 3.13Å; I296-T298 PolarHBondContact O-N 3.49Å; T298-H300 VanDerWaalsContact C-N 3.26Å; T298-H300 PolarHBondContact O-N 3.13Å; T298-K301 PolarHBondContact O-N 2.89Å; T298-N302 WeakPolarHBondContact O-CB 3.38Å; T298-N302 PolarHBondContact O-N 3.39Å
299M92.9Very high92.8Very high3 Ų353.6 Ų53.62%0.01528%0.279CS..Hα-helixtrans-61.1-37.4176.8-66.3169.372.300111.6R172 I175 I192 L193 L196 I291 L295 L306R172-M299 HydrophobicContact CB-CE 4.17Å; R172-M299 HydrophobicContact CG-CB 4.25Å; R172-M299 HydrophobicContact CG-CE 3.52Å; R172-M299 HydrophobicContact CG-SD 4.45Å; I175-M299 HydrophobicContact CD1-CE 3.22Å; I175-M299 HydrophobicContact CD1-SD 4.47Å; I175-M299 HydrophobicContact CG1-CE 4.19Å; I192-M299 HydrophobicContact CG2-CE 4.09Å; I192-M299 HydrophobicContact CG2-SD 3.76Å; L193-M299 HydrophobicContact CD2-CG 3.7Å; L196-M299 HydrophobicContact CB-CE 4.17Å; L196-M299 HydrophobicContact CD1-CE 3.91Å; L196-M299 HydrophobicContact CD2-CB 3.81Å; L196-M299 HydrophobicContact CD2-CE 3.68Å; L196-M299 HydrophobicContact CD2-CG 3.77Å; L196-M299 HydrophobicContact CG-CE 4.12Å; I291-M299 HydrophobicContact CD1-CE 4.42Å; I291-M299 HydrophobicContact CD1-SD 4.41Å; I291-M299 HydrophobicContact CG2-SD 3.91Å; L295-M299 HydrophobicContact CG-CG 4.29Å; L295-M299 HydrophobicContact CG-SD 4.14Å; L295-M299 WeakPolarHBondContact O-CB 3.34Å; L295-M299 WeakPolarHBondContact O-CG 3.41Å; L295-M299 PolarHBondContact O-N 2.77Å; M299-L306 WeakPolarHBondContact O-CD1 3.41Å
300H89.5Confident92.7Very high5 Ų554.3 Ų54.32%0.02329%0.289CS..Hα-helixtrans-62.5-48.6178.9-162105.4000111.8R172 I296 E297 T298 N312 S313 K315 I316R172-H300 PolarHBondContact NH1-CE1 2.97Å; R172-H300 VanDerWaalsContact NH1-CE1 3.33Å; R172-H300 PolarHBondContact NH1-ND1 3.34Å; I296-H300 VanDerWaalsContact O-CB 3.29Å; I296-H300 WeakPolarHBondContact O-CB 3.49Å; I296-H300 PolarHBondContact O-N 3.35Å; E297-H300 WeakPolarHBondContact O-CB 3.31Å; E297-H300 PolarHBondContact O-N 2.96Å; T298-H300 VanDerWaalsContact C-N 3.26Å; T298-H300 PolarHBondContact O-N 3.13Å; H300-N312 PolarHBondContact CD2-OD1 2.99Å; H300-N312 PolarHBondContact NE2-OD1 3.46Å; H300-N312 VanDerWaalsContact O-CG 3.31Å; H300-N312 PolarHBondContact O-OD1 3.24Å; H300-S313 PolarHBondContact NE2-N 3.38Å; H300-S313 PolarHBondContact NE2-O 3.1Å; H300-K315 PolarHBondContact CE1-O 2.96Å; H300-I316 HydrophobicContact CB-CD1 3.83Å; H300-I316 HydrophobicContact CB-CG1 4.49Å; H300-I316 WeakPolarHBondContact ND1-CG1 3.3Å
301K85.9Confident92.6Very high144 Ų14451 Ų5163%0.62627%0.273SS*.Hα-helixtrans-80.2-34.5-173.6-68.2175.2179.61730113.9E297 T298E297-K301 PolarHBondContact O-N 3.13Å; E297-K301 VanDerWaalsContact O-N 3.12Å; T298-K301 PolarHBondContact O-N 2.89Å
302N85.8Confident92.3Very high128 Ų12853.8 Ų53.868%0.68429%0.288SS*.Hα-helixtrans-105.58.9-163.3-64.8-9.1000115.2T298T298-N302 WeakPolarHBondContact O-CB 3.38Å; T298-N302 PolarHBondContact O-N 3.39Å
303N91.4Very high91.8Very high4 Ų452.7 Ų52.72%0.02128%0.281CS..  trans-106106.6179.4-166.1-66.6000112.3L196 L305 L306 A307L196-N303 HydrophobicContact CD2-CB 4.21Å; L196-N303 WeakPolarHBondContact CD2-ND2 3.43Å; L196-N303 WeakPolarHBondContact CG-ND2 3.3Å; N303-L305 VanDerWaalsContact C-N 3.27Å; N303-L305 PolarHBondContact O-N 3.01Å; N303-L305 PolarHBondContact OD1-N 2.82Å; N303-L306 HydrophobicContact CB-CB 4.1Å; N303-L306 HydrophobicContact CB-CD1 3.77Å; N303-L306 HydrophobicContact CB-CG 3.85Å; N303-L306 PolarHBondContact O-N 3.16Å; N303-L306 PolarHBondContact OD1-N 3.39Å; N303-A307 PolarHBondContact O-N 3.17Å
304S92.6Very high91.6Very high71 Ų7154.5 Ų54.550%0.49730%0.297SS..Hα-helixtrans-60.4-31.1-179.164.70000114.2K200 A307 Q308K200-S304 VanDerWaalsContact CE-OG 3.24Å; K200-S304 WeakPolarHBondContact CE-OG 3.46Å; K200-S304 PolarHBondContact NZ-OG 3Å; K200-S304 VanDerWaalsContact NZ-OG 3.1Å; S304-A307 PolarHBondContact O-N 2.68Å; S304-Q308 WeakPolarHBondContact O-CB 3.48Å; S304-Q308 PolarHBondContact O-N 3.49Å
305L95.8Very high91.5Very high1 Ų156.4 Ų56.41%0.00530%0.3CS..Hα-helixtrans-76.9-36.8179.1-177.865.1000111.5W199 K200 T203 I207 N303 A307 Q308 L309W199-L305 HydrophobicContact CE3-CD2 4.38Å; W199-L305 HydrophobicContact CH2-CB 4.34Å; W199-L305 HydrophobicContact CH2-CD2 3.69Å; W199-L305 HydrophobicContact CH2-CG 3.88Å; W199-L305 HydrophobicContact CZ2-CD2 4.23Å; W199-L305 HydrophobicContact CZ3-CB 4.14Å; W199-L305 HydrophobicContact CZ3-CD2 3.78Å; W199-L305 HydrophobicContact CZ3-CG 4.11Å; K200-L305 HydrophobicContact CB-CD2 4.43Å; K200-L305 HydrophobicContact CG-CB 3.93Å; K200-L305 HydrophobicContact CG-CD2 4.33Å; T203-L305 HydrophobicContact CG2-CD2 3.86Å; I207-L305 HydrophobicContact CD1-CD1 3.84Å; N303-L305 VanDerWaalsContact C-N 3.27Å; N303-L305 PolarHBondContact O-N 3.01Å; N303-L305 PolarHBondContact OD1-N 2.82Å; L305-A307 PolarHBondContact O-N 2.92Å; L305-Q308 HydrophobicContact CD1-CB 4.42Å; L305-Q308 PolarHBondContact O-N 3.05Å; L305-L309 HydrophobicContact CD1-CD1 3.99Å; L305-L309 HydrophobicContact CD1-CG 4.05Å; L305-L309 HydrophobicContact CD2-CD1 4.32Å; L305-L309 HydrophobicContact CG-CD1 3.79Å; L305-L309 HydrophobicContact CG-CG 4.28Å; L305-L309 WeakPolarHBondContact O-CB 3.39Å; L305-L309 VanDerWaalsContact O-CG 3.32Å; L305-L309 WeakPolarHBondContact O-CG 3.27Å; L305-L309 PolarHBondContact O-N 2.94Å
306L95.8Very high91.5Very high0 Ų058.1 Ų58.10%031%0.309CS..Hα-helixtrans-57.3-42.1169.9-68.1-179.9000110.6R172 W199 M299 N303 L309 G310 Y311 N312R172-L306 HydrophobicContact CG-CD1 4.19Å; W199-L306 HydrophobicContact CH2-CD2 3.54Å; W199-L306 HydrophobicContact CH2-CG 4.18Å; W199-L306 HydrophobicContact CZ2-CD2 4.36Å; W199-L306 HydrophobicContact CZ3-CD2 3.82Å; W199-L306 HydrophobicContact CZ3-CG 4.05Å; M299-L306 WeakPolarHBondContact O-CD1 3.41Å; N303-L306 HydrophobicContact CB-CB 4.1Å; N303-L306 HydrophobicContact CB-CD1 3.77Å; N303-L306 HydrophobicContact CB-CG 3.85Å; N303-L306 PolarHBondContact O-N 3.16Å; N303-L306 PolarHBondContact OD1-N 3.39Å; L306-L309 PolarHBondContact O-N 3.35Å; L306-G310 PolarHBondContact O-N 3.43Å; L306-Y311 HydrophobicContact CD2-CD2 4.11Å; L306-Y311 HydrophobicContact CD2-CG 4.41Å; L306-Y311 WeakPolarHBondContact O-CA 3.08Å; L306-Y311 PolarHBondContact O-N 2.98Å; L306-N312 PolarHBondContact O-N 2.91Å
307A92.8Very high91.5Very high47 Ų4759.6 Ų59.639%0.38832%0.319SS..Hα-helixtrans-64-47.7175.200000112.6N303 S304 L305 L309 G310 N312N303-A307 PolarHBondContact O-N 3.17Å; S304-A307 PolarHBondContact O-N 2.68Å; L305-A307 PolarHBondContact O-N 2.92Å; A307-L309 PolarHBondContact O-N 2.85Å; A307-G310 PolarHBondContact O-N 3.33Å; A307-N312 HydrophobicContact CB-CB 3.78Å
308Q93Very high91.6Very high105 Ų10555.5 Ų55.549%0.49130%0.3SS..Hα-helixtrans-57.8-36.1177.3-178.1-176.8-12.500112.7S304 L305 G310S304-Q308 WeakPolarHBondContact O-CB 3.48Å; S304-Q308 PolarHBondContact O-N 3.49Å; L305-Q308 HydrophobicContact CD1-CB 4.42Å; L305-Q308 PolarHBondContact O-N 3.05Å; Q308-G310 VanDerWaalsContact C-N 3.31Å
309L94.9Very high91.8Very high2 Ų255.9 Ų55.91%0.0130%0.3CS..THydrogen-bonded Turntrans-86.10.8179.7-65.6171.4000113.8V168 W199 I207 L305 L306 A307 Y311 L328 L330V168-L309 HydrophobicContact CG1-CD1 3.62Å; V168-L309 HydrophobicContact CG1-CD2 4.18Å; V168-L309 HydrophobicContact CG1-CG 4.5Å; W199-L309 HydrophobicContact CH2-CD1 4.02Å; W199-L309 HydrophobicContact CZ2-CD1 4.13Å; I207-L309 HydrophobicContact CD1-CD2 4.03Å; L305-L309 HydrophobicContact CD1-CD1 3.99Å; L305-L309 HydrophobicContact CD1-CG 4.05Å; L305-L309 HydrophobicContact CD2-CD1 4.32Å; L305-L309 HydrophobicContact CG-CD1 3.79Å; L305-L309 HydrophobicContact CG-CG 4.28Å; L305-L309 WeakPolarHBondContact O-CB 3.39Å; L305-L309 VanDerWaalsContact O-CG 3.32Å; L305-L309 WeakPolarHBondContact O-CG 3.27Å; L305-L309 PolarHBondContact O-N 2.94Å; L306-L309 PolarHBondContact O-N 3.35Å; A307-L309 PolarHBondContact O-N 2.85Å; L309-Y311 HydrophobicContact CB-CD2 3.49Å; L309-Y311 VanDerWaalsContact CB-CD2 3.49Å; L309-Y311 HydrophobicContact CB-CE2 3.58Å; L309-Y311 HydrophobicContact CD1-CD2 4.25Å; L309-Y311 HydrophobicContact CD1-CE2 4Å; L309-Y311 HydrophobicContact CG-CE2 4.4Å; L309-L328 HydrophobicContact CD2-CD2 4.12Å; L309-L330 HydrophobicContact CD2-CD1 4.49Å; L309-L330 HydrophobicContact CD2-CD2 4.02Å
310G93Very high92Very high35 Ų3556.4 Ų56.436%0.36130%0.302SS..THydrogen-bonded Turntrans81.17.6179.800000115.2L306 A307 Q308 I323L306-G310 PolarHBondContact O-N 3.43Å; A307-G310 PolarHBondContact O-N 3.33Å; Q308-G310 VanDerWaalsContact C-N 3.31Å; G310-I323 WeakPolarHBondContact O-CD1 3.5Å; G310-I323 WeakPolarHBondContact O-CG1 3.33Å
311Y94.6Very high92.3Very high0 Ų059.7 Ų59.70%032%0.317CS..  trans-83.7-9.9179.6-61.1-61.6000114.1V168 D170 R172 E224 L306 L309 Y320 I323V168-Y311 HydrophobicContact CG1-CE2 4.44Å; D170-Y311 HydrophobicContact CB-CD1 3.89Å; D170-Y311 HydrophobicContact CB-CD2 4.44Å; D170-Y311 HydrophobicContact CB-CE1 3.94Å; D170-Y311 HydrophobicContact CB-CE2 4.5Å; D170-Y311 HydrophobicContact CB-CG 4.16Å; R172-Y311 PolarHBondContact NH2-O 3.15Å; E224-Y311 HydrophobicContact CG-CE1 4.35Å; E224-Y311 PolarHBondContact OE2-OH 3.12Å; L306-Y311 HydrophobicContact CD2-CD2 4.11Å; L306-Y311 HydrophobicContact CD2-CG 4.41Å; L306-Y311 WeakPolarHBondContact O-CA 3.08Å; L306-Y311 PolarHBondContact O-N 2.98Å; L309-Y311 HydrophobicContact CB-CD2 3.49Å; L309-Y311 VanDerWaalsContact CB-CD2 3.49Å; L309-Y311 HydrophobicContact CB-CE2 3.58Å; L309-Y311 HydrophobicContact CD1-CD2 4.25Å; L309-Y311 HydrophobicContact CD1-CE2 4Å; L309-Y311 HydrophobicContact CG-CE2 4.4Å; Y311-Y320 HydrophobicContact CD1-CD1 4.27Å; Y311-Y320 AromaticContact CD1-CE1 3.83Å; Y311-Y320 HydrophobicContact CD1-CE1 3.83Å; Y311-Y320 HydrophobicContact CE1-CD1 4.2Å; Y311-Y320 AromaticContact CE1-CE1 3.97Å; Y311-Y320 HydrophobicContact CE1-CE1 3.97Å; Y311-I323 HydrophobicContact CD1-CD1 3.81Å; Y311-I323 HydrophobicContact CE1-CD1 4.41Å; Y311-I323 HydrophobicContact CE1-CG2 4.41Å
312N88.1Confident92.7Very high63 Ų6358.7 Ų58.734%0.33732%0.315SS..  trans-89107.7171.3-1709.4000108.8H300 L306 A307H300-N312 PolarHBondContact CD2-OD1 2.99Å; H300-N312 PolarHBondContact NE2-OD1 3.46Å; H300-N312 VanDerWaalsContact O-CG 3.31Å; H300-N312 PolarHBondContact O-OD1 3.24Å; L306-N312 PolarHBondContact O-N 2.91Å; A307-N312 HydrophobicContact CB-CB 3.78Å
313S85.9Confident93.1Very high40 Ų4053.4 Ų53.428%0.2829%0.286SS..  trans-131.4174.2-178.6830000110.2H300 K315 P318H300-S313 PolarHBondContact NE2-N 3.38Å; H300-S313 PolarHBondContact NE2-O 3.1Å; S313-K315 PolarHBondContact O-N 3.43Å; S313-K315 PolarHBondContact OG-N 2.82Å; S313-K315 PolarHBondContact OG-O 3.5Å; S313-P318 VanDerWaalsContact OG-CA 3.31Å; S313-P318 WeakPolarHBondContact OG-CA 3.16Å; S313-P318 WeakPolarHBondContact OG-CB 3.49Å
314E86.5Confident93.3Very high205 Ų20553.4 Ų53.496%0.95829%0.286SS*.SBendtrans-68.4-24.6175.2-64.4-175.4170.100112.9
315K91.9Very high93.4Very high148 Ų14856 Ų5664%0.64329%0.29SS*.SBendtrans-99.6148.1-177.2-65.3179.7-178.3171.60111.9H300 S313 P317H300-K315 PolarHBondContact CE1-O 2.96Å; S313-K315 PolarHBondContact O-N 3.43Å; S313-K315 PolarHBondContact OG-N 2.82Å; S313-K315 PolarHBondContact OG-O 3.5Å; K315-P317 CarbonylContact C-O 3.49Å; K315-P317 VanDerWaalsContact C-O 3.3Å; K315-P317 CarbonylContact O-C 3.28Å; K315-P317 VanDerWaalsContact O-C 3.28Å
316I93.4Very high93.1Very high66 Ų6660.4 Ų60.434%0.33832%0.318SS..SBendtrans-121117.2173.3-51.3-165.9000108.2W284 I296 E297 H300W284-I316 HydrophobicContact CH2-CG2 3.75Å; W284-I316 HydrophobicContact CZ3-CG2 3.76Å; I296-I316 HydrophobicContact CG2-CD1 4.15Å; I296-I316 HydrophobicContact CG2-CG2 3.42Å; I296-I316 VanDerWaalsContact CG2-CG2 3.42Å; E297-I316 HydrophobicContact CG-CD1 4.03Å; H300-I316 HydrophobicContact CB-CD1 3.83Å; H300-I316 HydrophobicContact CB-CG1 4.49Å; H300-I316 WeakPolarHBondContact ND1-CG1 3.3Å
317P94.2Very high92.6Very high38 Ų3866.3 Ų66.325%0.24735%0.349CS..SBendcis-68.1166.3-7.934.9-36.8000111.2D282 W284 S285 K315 Y320D282-P317 HydrophobicContact CB-CB 4.47Å; D282-P317 HydrophobicContact CB-CG 3.88Å; W284-P317 HydrophobicContact CH2-CB 4.08Å; W284-P317 HydrophobicContact CZ2-CB 3.58Å; S285-P317 VanDerWaalsContact OG-CD 3.3Å; S285-P317 WeakPolarHBondContact OG-CD 3.49Å; K315-P317 CarbonylContact C-O 3.49Å; K315-P317 VanDerWaalsContact C-O 3.3Å; K315-P317 CarbonylContact O-C 3.28Å; K315-P317 VanDerWaalsContact O-C 3.28Å; P317-Y320 HydrophobicContact CB-CE2 4.22Å
318P94.2Very high92.1Very high4 Ų466.2 Ų66.23%0.02634%0.342CS..  trans-66.7158.1173.132.3-36.7000111.2S313 Y320 I323S313-P318 VanDerWaalsContact OG-CA 3.31Å; S313-P318 WeakPolarHBondContact OG-CA 3.16Å; S313-P318 WeakPolarHBondContact OG-CB 3.49Å; P318-Y320 HydrophobicContact CG-CD1 4.1Å; P318-Y320 HydrophobicContact CG-CE1 3.6Å; P318-Y320 PolarHBondContact O-N 3.15Å; P318-I323 HydrophobicContact CB-CD1 3.69Å; P318-I323 HydrophobicContact CG-CD1 3.83Å
319N95.6Very high91.2Very high64 Ų6470.5 Ų70.534%0.34236%0.359SS..  trans-73.296.6171.4-172.1-11.8000109.8E321 E322 I323N319-E321 PolarHBondContact O-N 3.1Å; N319-E321 WeakPolarHBondContact OD1-CB 3.28Å; N319-E321 PolarHBondContact OD1-N 3.47Å; N319-E321 VanDerWaalsContact OD1-N 3.13Å; N319-E322 HydrophobicContact CB-CB 4.13Å; N319-E322 HydrophobicContact CB-CG 4.14Å; N319-E322 WeakPolarHBondContact ND2-CG 3.24Å; N319-E322 PolarHBondContact ND2-OE1 3.05Å; N319-E322 PolarHBondContact O-N 3.13Å; N319-I323 WeakPolarHBondContact O-CG1 3.39Å; N319-I323 PolarHBondContact O-N 2.61Å; N319-I323 VanDerWaalsContact O-N 3.09Å
320Y96.5Very high90.5Very high14 Ų1474 Ų746%0.05538%0.377CS..Hα-helixtrans-64-26.6-178.4-65.4-62.9000113.7D170 E224 L281 W284 Y311 P317 P318 I323 C324D170-Y320 HydrophobicContact CB-CE1 4.11Å; D170-Y320 PolarHBondContact OD2-OH 3.2Å; E224-Y320 HydrophobicContact CB-CD1 3.99Å; E224-Y320 HydrophobicContact CB-CG 4.2Å; E224-Y320 HydrophobicContact CG-CD1 3.56Å; E224-Y320 HydrophobicContact CG-CE1 3.78Å; E224-Y320 HydrophobicContact CG-CG 4.02Å; L281-Y320 HydrophobicContact CB-CD2 4Å; L281-Y320 HydrophobicContact CB-CE2 4.01Å; L281-Y320 WeakPolarHBondContact O-CE2 3.42Å; L281-Y320 PolarHBondContact O-OH 3.36Å; W284-Y320 WeakPolarHBondContact CZ2-OH 3.26Å; W284-Y320 PolarHBondContact NE1-OH 2.87Å; Y311-Y320 HydrophobicContact CD1-CD1 4.27Å; Y311-Y320 AromaticContact CD1-CE1 3.83Å; Y311-Y320 HydrophobicContact CD1-CE1 3.83Å; Y311-Y320 HydrophobicContact CE1-CD1 4.2Å; Y311-Y320 AromaticContact CE1-CE1 3.97Å; Y311-Y320 HydrophobicContact CE1-CE1 3.97Å; P317-Y320 HydrophobicContact CB-CE2 4.22Å; P318-Y320 HydrophobicContact CG-CD1 4.1Å; P318-Y320 HydrophobicContact CG-CE1 3.6Å; P318-Y320 PolarHBondContact O-N 3.15Å; Y320-I323 HydrophobicContact CD1-CD1 3.96Å; Y320-I323 HydrophobicContact CE1-CD1 4.47Å; Y320-I323 PolarHBondContact O-N 3.46Å; Y320-C324 WeakPolarHBondContact O-CB 3.41Å; Y320-C324 PolarHBondContact O-N 2.99Å; Y320-C324 VanDerWaalsContact O-N 3.09Å; Y320-C324 PolarHBondContact O-SG 3.46Å
321E95.9Very high90.4Very high74 Ų7476 Ų7635%0.34638%0.378SS..Hα-helixtrans-66-46.8175.2-64.1-70.6170.900110.3I228 K278 N319 I323 C324 E325I228-E321 HydrophobicContact CD1-CG 4.3Å; I228-E321 WeakPolarHBondContact CG1-OE1 3.48Å; I228-E321 WeakPolarHBondContact CG2-OE1 3.07Å; I228-E321 WeakPolarHBondContact CG2-OE2 3.3Å; K278-E321 IonicContact NZ-OE1 3.37Å; K278-E321 PolarHBondContact NZ-OE1 3.44Å; N319-E321 PolarHBondContact O-N 3.1Å; N319-E321 WeakPolarHBondContact OD1-CB 3.28Å; N319-E321 PolarHBondContact OD1-N 3.47Å; N319-E321 VanDerWaalsContact OD1-N 3.13Å; E321-I323 VanDerWaalsContact C-N 3.35Å; E321-I323 PolarHBondContact O-N 3.3Å; E321-C324 WeakPolarHBondContact O-CB 3.41Å; E321-C324 PolarHBondContact O-N 3.12Å; E321-E325 PolarHBondContact O-N 3.1Å
322E94.8Very high90.2Very high124 Ų12480 Ų8058%0.57940%0.398SS*.Hα-helixtrans-61.5-41.9174.9-74.4168.8-153.700112N319 C324 E325N319-E322 HydrophobicContact CB-CB 4.13Å; N319-E322 HydrophobicContact CB-CG 4.14Å; N319-E322 WeakPolarHBondContact ND2-CG 3.24Å; N319-E322 PolarHBondContact ND2-OE1 3.05Å; N319-E322 PolarHBondContact O-N 3.13Å; E322-C324 PolarHBondContact O-N 3.48Å; E322-E325 PolarHBondContact O-N 3.34Å; E322-E325 VanDerWaalsContact O-N 3.15Å
323I94.1Very high90.3Very high16 Ų1680.9 Ų80.98%0.08240%0.402CS..Hα-helixtrans-55.2-39.5174.5-72174.1000110.4R222 G310 Y311 P318 N319 Y320 E321 E325 V326R222-I323 PolarHBondContact NH1-O 2.9Å; R222-I323 PolarHBondContact NH2-O 3.31Å; G310-I323 WeakPolarHBondContact O-CD1 3.5Å; G310-I323 WeakPolarHBondContact O-CG1 3.33Å; Y311-I323 HydrophobicContact CD1-CD1 3.81Å; Y311-I323 HydrophobicContact CE1-CD1 4.41Å; Y311-I323 HydrophobicContact CE1-CG2 4.41Å; P318-I323 HydrophobicContact CB-CD1 3.69Å; P318-I323 HydrophobicContact CG-CD1 3.83Å; N319-I323 WeakPolarHBondContact O-CG1 3.39Å; N319-I323 PolarHBondContact O-N 2.61Å; N319-I323 VanDerWaalsContact O-N 3.09Å; Y320-I323 HydrophobicContact CD1-CD1 3.96Å; Y320-I323 HydrophobicContact CE1-CD1 4.47Å; Y320-I323 PolarHBondContact O-N 3.46Å; E321-I323 VanDerWaalsContact C-N 3.35Å; E321-I323 PolarHBondContact O-N 3.3Å; I323-E325 VanDerWaalsContact C-N 3.31Å; I323-E325 PolarHBondContact O-N 2.79Å; I323-V326 PolarHBondContact O-N 2.8Å
324C95.7Very high90.5Very high4 Ų483.4 Ų83.43%0.02741%0.409CS..Hα-helixtrans-77.4-9.2-176.6-68.30000115.4C225 R232 Y320 E321 E322C225-C324 WeakPolarHBondContact CA-SG 3.2Å; C225-C324 HydrophobicContact CB-CB 3.87Å; C225-C324 WeakPolarHBondContact CB-SG 3.41Å; C225-C324 PolarHBondContact N-SG 2.93Å; C225-C324 WeakPolarHBondContact SG-CA 3.32Å; C225-C324 WeakPolarHBondContact SG-CB 3.5Å; C225-C324 CovalentContact SG-SG 2.05Å; C225-C324 PolarHBondContact SG-SG 2.94Å; R232-C324 PolarHBondContact NH2-O 3.13Å; Y320-C324 WeakPolarHBondContact O-CB 3.41Å; Y320-C324 PolarHBondContact O-N 2.99Å; Y320-C324 VanDerWaalsContact O-N 3.09Å; Y320-C324 PolarHBondContact O-SG 3.46Å; E321-C324 WeakPolarHBondContact O-CB 3.41Å; E321-C324 PolarHBondContact O-N 3.12Å; E322-C324 PolarHBondContact O-N 3.48Å
325E94.4Very high90.8Very high125 Ų12575.8 Ų75.858%0.58437%0.374SS*.Hα-helixtrans-88-14.7172.1-62.8-50.2116.500112.9R232 E321 E322 I323R232-E325 IonicContact CZ-OE1 2.6Å; R232-E325 IonicContact NH1-OE1 3.44Å; R232-E325 PolarHBondContact NH1-OE1 3.19Å; R232-E325 IonicContact NH1-OE2 2.64Å; R232-E325 IonicContact NH2-OE1 3.05Å; E321-E325 PolarHBondContact O-N 3.1Å; E322-E325 PolarHBondContact O-N 3.34Å; E322-E325 VanDerWaalsContact O-N 3.15Å; I323-E325 VanDerWaalsContact C-N 3.31Å; I323-E325 PolarHBondContact O-N 2.79Å
326V89.6Confident90.7Very high95 Ų9570.9 Ų70.958%0.57636%0.356SS*.SBendtrans-100.1123.1175.8-174.90000109.5R222 I323 L328R222-V326 PolarHBondContact NH1-O 3.33Å; R222-V326 PolarHBondContact NH2-O 2.94Å; I323-V326 PolarHBondContact O-N 2.8Å; V326-L328 PolarHBondContact O-N 3.25Å
327D85Confident90.5Very high123 Ų12371.3 Ų71.366%0.65836%0.358SS*.  trans-62.1135.3172.8-77.8-31.4000110.7K329D327-K329 PolarHBondContact O-N 3.39Å
328L83.2Confident90.2Very high46 Ų4673.8 Ų73.824%0.24137%0.366CS..  trans-64.4108173.4-83.7179.1000109.5T220 R222 L309 V326 L330T220-L328 HydrophobicContact CG2-CD1 3.93Å; R222-L328 HydrophobicContact CG-CD1 3.46Å; R222-L328 VanDerWaalsContact CG-CD1 3.46Å; R222-L328 HydrophobicContact CG-CG 4.17Å; L309-L328 HydrophobicContact CD2-CD2 4.12Å; V326-L328 PolarHBondContact O-N 3.25Å; L328-L330 VanDerWaalsContact C-N 3.31Å; L328-L330 HydrophobicContact CB-CG 4.34Å; L328-L330 HydrophobicContact CD1-CD1 4.34Å; L328-L330 PolarHBondContact O-N 3.34Å; L328-L330 VanDerWaalsContact O-N 3.12Å
329K73.5Confident89.9Confident195 Ų19579.7 Ų79.785%0.84840%0.395SS*.  trans-82.779.6169.4-64-175.1-178.5-179.30108.9D327D327-K329 PolarHBondContact O-N 3.39Å
330L80.7Confident89.4Confident76 Ų7681.1 Ų81.140%0.39840%0.399SS..  trans-92.50171.2-67.8178.2000110.1I207 Q211 T220 L309 L328I207-L330 HydrophobicContact CD1-CD1 4.34Å; I207-L330 HydrophobicContact CD1-CD2 4.11Å; I207-L330 HydrophobicContact CG1-CD1 4.13Å; I207-L330 HydrophobicContact CG2-CB 4.4Å; I207-L330 HydrophobicContact CG2-CD1 4.26Å; I207-L330 HydrophobicContact CG2-CD2 3.96Å; I207-L330 HydrophobicContact CG2-CG 4.44Å; Q211-L330 PolarHBondContact NE2-OXT 3.39Å; T220-L330 HydrophobicContact CG2-CD1 3.8Å; L309-L330 HydrophobicContact CD2-CD1 4.49Å; L309-L330 HydrophobicContact CD2-CD2 4.02Å; L328-L330 VanDerWaalsContact C-N 3.31Å; L328-L330 HydrophobicContact CB-CG 4.34Å; L328-L330 HydrophobicContact CD1-CD1 4.34Å; L328-L330 PolarHBondContact O-N 3.34Å; L328-L330 VanDerWaalsContact O-N 3.12Å

Retrieved 330 of 330 residues in 450.8 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).