G4VEN2_SCHMA Loading...

Kv channel-interacting protein 4

AlphaFold DB , UniProt , Accession G4VEN2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.9Very low41.2Very low247 Ų247175.6 Ų175.6100%1.21787%0.872SS**  0101.50-169.5162.8168.400106.8
2K41.4Very low40.9Very low209 Ų209175.6 Ų175.691%0.90987%0.867SS**  trans35.997.1175.5-75.8-180171.9-175.90119.5
3T42.5Very low40.7Very low144 Ų144169.2 Ų169.288%0.88385%0.85SS**  trans-68.5146.4160.427.50000112.1
4M40.9Very low40.8Very low175 Ų175169.4 Ų169.486%0.86285%0.846SS**  trans-70.5128.2-177.8-60.3163.386.500111.3
5E43.7Very low41.5Very low192 Ų192165.3 Ų165.390%0.89783%0.827SS**  trans-96.7107.3162.1-76.6173.9149.900107
6T44.6Very low42.2Very low103 Ų103163.4 Ų163.463%0.63283%0.826SS**  trans-87.3109.416842.80000108.1Y8T6-Y8 PolarHBondContact O-N 3.1Å
7D43.4Very low43.6Very low157 Ų157165.2 Ų165.284%0.8482%0.821SS**  trans-61.4111.7167-76.1-39.7000109.1E9D7-E9 PolarHBondContact O-N 3.09Å
8Y38.4Very low45.4Very low220 Ų220159.8 Ų159.886%0.86379%0.793SS**  trans-83.199.4164.8-96.4-96.6000107.6T6 E10T6-Y8 PolarHBondContact O-N 3.1Å; Y8-E10 PolarHBondContact O-N 2.58Å
9E36.3Very low47Very low185 Ų185161.1 Ų161.186%0.86479%0.793SS**  trans-71.6112.6163.1-78.6-179.5155.700108.6D7D7-E9 PolarHBondContact O-N 3.09Å
10E41.1Very low48.5Very low180 Ų180155.4 Ų155.484%0.84177%0.769SS**  trans-58.6139167.8-84.2-176.6158.400109.9Y8 E12Y8-E10 PolarHBondContact O-N 2.58Å; E10-E12 PolarHBondContact O-N 2.77Å; E10-E12 VanDerWaalsContact O-N 3.12Å
11P38.3Very low50.3Low120 Ų120150.2 Ų150.278%0.77975%0.746SS**  trans-68.7116.7177.128.2-30.4000108.8S13P11-S13 VanDerWaalsContact C-N 3.34Å; P11-S13 PolarHBondContact O-N 2.92Å
12E37.4Very low52.5Low175 Ų175140.7 Ų140.782%0.81871%0.711SS**  trans-54.299.5166.2-77.2-170.4156.700108.6E10 H14E10-E12 PolarHBondContact O-N 2.77Å; E10-E12 VanDerWaalsContact O-N 3.12Å; E12-H14 PolarHBondContact O-N 2.57Å
13S39.1Very low55Low92 Ų92132.9 Ų132.964%0.64368%0.678SS**  trans-60111.7174.7640000108.6P11 I15P11-S13 VanDerWaalsContact C-N 3.34Å; P11-S13 PolarHBondContact O-N 2.92Å; S13-I15 PolarHBondContact O-N 3.19Å
14H40.8Very low57.3Low173 Ų173134.5 Ų134.580%0.80167%0.673SS**  trans-65.183.6168.9-68.5-58.8000108.5E12 V16E12-H14 PolarHBondContact O-N 2.57Å; H14-V16 VanDerWaalsContact C-N 3.31Å; H14-V16 PolarHBondContact O-N 3.01Å
15I51.4Low59.9Low108 Ų108128 Ų12855%0.55464%0.643SS**  trans-66.795.9173.2-60.1169000106.6S13 R17 A50S13-I15 PolarHBondContact O-N 3.19Å; I15-R17 HydrophobicContact CG2-CG 4.45Å; I15-R17 PolarHBondContact O-N 3.26Å; I15-A50 HydrophobicContact CG2-CB 4.26Å
16V53.6Low62.3Low134 Ų134119.2 Ų119.281%0.81260%0.603SS**  trans-64.498.7172.7179.80000107.2H14 H18H14-V16 VanDerWaalsContact C-N 3.31Å; H14-V16 PolarHBondContact O-N 3.01Å; V16-H18 PolarHBondContact O-N 3.06Å
17R66.1Low64.7Low195 Ų195117.4 Ų117.474%0.73659%0.589SS**  trans-71.7122179.9-65.9179.9-178.3-175.1-0109.1I15 K19I15-R17 HydrophobicContact CG2-CG 4.45Å; I15-R17 PolarHBondContact O-N 3.26Å; R17-K19 PolarHBondContact O-N 3.19Å
18H75Confident67.1Low68 Ų68119.5 Ų119.532%0.31559%0.585SS.*  trans-63.7123.9173.3-178.5-87.8000109.7V16 P20 A50 T52 T91V16-H18 PolarHBondContact O-N 3.06Å; H18-P20 WeakPolarHBondContact O-CD 3.48Å; H18-A50 PolarHBondContact N-O 2.73Å; H18-T52 HydrophobicContact CB-CG2 3.74Å; H18-T91 WeakPolarHBondContact NE2-CG2 3.42Å
19K76Confident69.6Low184 Ų184113.9 Ų113.980%0.857%0.565SS**  trans-82.3114.7178-171.1177-177.7178.30108.5R17R17-K19 PolarHBondContact O-N 3.19Å
20P78.2Confident72.4Confident47 Ų47105.6 Ų105.631%0.30553%0.527SS..PPolyproline II helixtrans-64.9150.2-178.731-38.6000110.6H18 Y41H18-P20 WeakPolarHBondContact O-CD 3.48Å; P20-Y41 HydrophobicContact CB-CE2 3.95Å; P20-Y41 HydrophobicContact CG-CE2 4Å; P20-Y41 WeakPolarHBondContact CG-OH 3.25Å
21V86.2Confident74.8Confident47 Ų47104.5 Ų104.529%0.28552%0.515SS..PPolyproline II helixtrans-63.4143.8170.7-172.40000109.6T25 E93V21-T25 VanDerWaalsContact CG1-CB 3.5Å; V21-T25 HydrophobicContact CG1-CG2 3.67Å; V21-E93 HydrophobicContact CG2-CB 4.43Å; V21-E93 WeakPolarHBondContact CG2-OE2 3.28Å
22G89.5Confident77.4Confident47 Ų4799.1 Ų99.149%0.48548%0.479SS..PPolyproline II helixtrans-57.2142.3-178.800000112.7K24 T25 L26G22-K24 PolarHBondContact O-N 3.35Å; G22-T25 WeakPolarHBondContact O-CB 3.49Å; G22-T25 PolarHBondContact O-N 3.23Å; G22-L26 PolarHBondContact O-N 3.49Å
23I91.9Very high80.2Confident44 Ų4493.4 Ų93.423%0.22646%0.458CS..Hα-helixtrans-53.4-30.7-176.9-166.8164.5000114T25 L26 L27 R34 L37 Q38I23-T25 VanDerWaalsContact C-N 3.29Å; I23-T25 PolarHBondContact O-N 2.97Å; I23-L26 PolarHBondContact O-N 3.41Å; I23-L27 HydrophobicContact CG1-CD1 4.25Å; I23-L27 HydrophobicContact CG1-CG 4.34Å; I23-L27 WeakPolarHBondContact O-CB 3.37Å; I23-L27 VanDerWaalsContact O-CG 3.26Å; I23-L27 WeakPolarHBondContact O-CG 3.3Å; I23-L27 PolarHBondContact O-N 2.85Å; I23-R34 HydrophobicContact CD1-CG 3.64Å; I23-L37 HydrophobicContact CG1-CD1 4.28Å; I23-Q38 HydrophobicContact CD1-CG 4.03Å
24K92.9Very high82.9Confident178 Ų17895.1 Ų95.177%0.77445%0.451SS*.Hα-helixtrans-61.8-37.3176.1-68.9-173.9179.3-178.30112.2G22 R28G22-K24 PolarHBondContact O-N 3.35Å; K24-R28 PolarHBondContact O-N 3Å
25T93.9Very high85.4Confident39 Ų3994 Ų9424%0.23944%0.444CS..Hα-helixtrans-70.7-43.6176.5-53.70000110.5V21 G22 I23 L27 R28 K29V21-T25 VanDerWaalsContact CG1-CB 3.5Å; V21-T25 HydrophobicContact CG1-CG2 3.67Å; G22-T25 WeakPolarHBondContact O-CB 3.49Å; G22-T25 PolarHBondContact O-N 3.23Å; I23-T25 VanDerWaalsContact C-N 3.29Å; I23-T25 PolarHBondContact O-N 2.97Å; T25-L27 VanDerWaalsContact C-N 3.34Å; T25-L27 PolarHBondContact O-N 3Å; T25-R28 WeakPolarHBondContact O-CB 3.3Å; T25-R28 PolarHBondContact O-N 3.11Å; T25-K29 HydrophobicContact CG2-CD 4.19Å; T25-K29 HydrophobicContact CG2-CG 4.43Å; T25-K29 WeakPolarHBondContact O-CG 3.37Å; T25-K29 PolarHBondContact O-N 2.96Å
26L94Very high87.4Confident8 Ų892.6 Ų92.64%0.04244%0.435CS..Hα-helixtrans-61.3-42.3177.5-62.3180000111.8G22 I23 R28 K29 T30 L37 F92 E93 I96G22-L26 PolarHBondContact O-N 3.49Å; I23-L26 PolarHBondContact O-N 3.41Å; L26-R28 PolarHBondContact O-N 2.61Å; L26-K29 PolarHBondContact O-N 3.28Å; L26-K29 VanDerWaalsContact O-N 3.15Å; L26-T30 WeakPolarHBondContact O-CB 3.49Å; L26-T30 PolarHBondContact O-N 3.03Å; L26-T30 PolarHBondContact O-OG1 3.16Å; L26-L37 HydrophobicContact CB-CD1 3.84Å; L26-L37 HydrophobicContact CB-CD2 4.46Å; L26-F92 HydrophobicContact CD1-CD1 3.99Å; L26-F92 HydrophobicContact CD1-CE1 3.76Å; L26-E93 HydrophobicContact CD2-CB 4.06Å; L26-E93 HydrophobicContact CD2-CG 3.94Å; L26-I96 HydrophobicContact CD2-CG2 4.04Å
27L94.6Very high89.4Confident65 Ų6586.3 Ų86.334%0.3440%0.397SS..Hα-helixtrans-60.9-27.7174.1-74.5169.4000113.5I23 T25 F32 R34 L37I23-L27 HydrophobicContact CG1-CD1 4.25Å; I23-L27 HydrophobicContact CG1-CG 4.34Å; I23-L27 WeakPolarHBondContact O-CB 3.37Å; I23-L27 VanDerWaalsContact O-CG 3.26Å; I23-L27 WeakPolarHBondContact O-CG 3.3Å; I23-L27 PolarHBondContact O-N 2.85Å; T25-L27 VanDerWaalsContact C-N 3.34Å; T25-L27 PolarHBondContact O-N 3Å; L27-F32 WeakPolarHBondContact CD2-O 3.35Å; L27-R34 HydrophobicContact CD1-CB 4.45Å; L27-R34 HydrophobicContact CD2-CB 4.27Å; L27-L37 HydrophobicContact CD2-CD1 3.69Å; L27-L37 HydrophobicContact CG-CD1 3.84Å
28R94.1Very high90.6Very high200 Ų20081.2 Ų81.276%0.75538%0.381SS*.Hα-helixtrans-82.8-30.2176.7-174.7175.764.3-162.4-0.4112.4K24 T25 L26K24-R28 PolarHBondContact O-N 3Å; T25-R28 WeakPolarHBondContact O-CB 3.3Å; T25-R28 PolarHBondContact O-N 3.11Å; L26-R28 PolarHBondContact O-N 2.61Å
29K92.5Very high91.5Very high103 Ų10382.6 Ų82.645%0.44839%0.39SS..Hα-helixtrans-92.7-19.1-176.1-69.6-170.9177.4-1760113.7T25 L26 E93 Q97T25-K29 HydrophobicContact CG2-CD 4.19Å; T25-K29 HydrophobicContact CG2-CG 4.43Å; T25-K29 WeakPolarHBondContact O-CG 3.37Å; T25-K29 PolarHBondContact O-N 2.96Å; L26-K29 PolarHBondContact O-N 3.28Å; L26-K29 VanDerWaalsContact O-N 3.15Å; K29-E93 WeakPolarHBondContact CD-OE1 3.24Å; K29-E93 WeakPolarHBondContact CE-OE1 3.43Å; K29-E93 IonicContact NZ-OE1 2.68Å; K29-E93 PolarHBondContact NZ-OE1 2.74Å; K29-Q97 HydrophobicContact CB-CG 4.38Å
30T93.1Very high92.2Very high11 Ų1176.3 Ų76.37%0.06736%0.364CS..SBendtrans-123161.6-175.667.70000110.9L26 F32 I96 Q97 S100L26-T30 WeakPolarHBondContact O-CB 3.49Å; L26-T30 PolarHBondContact O-N 3.03Å; L26-T30 PolarHBondContact O-OG1 3.16Å; T30-F32 VanDerWaalsContact C-N 3.31Å; T30-I96 HydrophobicContact CG2-CG1 4.42Å; T30-I96 HydrophobicContact CG2-CG2 4.04Å; T30-Q97 HydrophobicContact CG2-CG 4.17Å; T30-S100 WeakPolarHBondContact CA-OG 3.25Å
31R92.7Very high92.8Very high157 Ų15777.6 Ų77.659%0.59236%0.363SS*.SBendtrans-94.613176.8-62.9177.2-179-157.61.2112.6S100 H104R31-S100 PolarHBondContact N-OG 2.87Å; R31-H104 HydrophobicContact CB-CB 3.65Å; R31-H104 VanDerWaalsContact CD-CB 3.49Å; R31-H104 WeakPolarHBondContact CD-O 3.45Å; R31-H104 HydrophobicContact CG-CB 4.15Å; R31-H104 VanDerWaalsContact CZ-O 3.24Å; R31-H104 PolarHBondContact NE-O 3.34Å; R31-H104 PolarHBondContact NH1-O 3.05Å
32F93.6Very high93Very high7 Ų781.1 Ų81.13%0.03138%0.377CS..  trans-84.7145.3176.6-65-59.3000111.9L27 T30 E36 L37 M40 I96 L99 M103 H104L27-F32 WeakPolarHBondContact CD2-O 3.35Å; T30-F32 VanDerWaalsContact C-N 3.31Å; F32-E36 HydrophobicContact CB-CB 4.14Å; F32-E36 HydrophobicContact CD1-CB 4.32Å; F32-L37 HydrophobicContact CB-CD2 3.83Å; F32-L37 HydrophobicContact CB-CG 3.83Å; F32-L37 HydrophobicContact CD2-CD2 4.06Å; F32-L37 HydrophobicContact CG-CD2 4.34Å; F32-M40 HydrophobicContact CD1-CE 4.05Å; F32-M40 HydrophobicContact CD1-SD 4.31Å; F32-M40 HydrophobicContact CD2-SD 4.35Å; F32-M40 HydrophobicContact CE1-CE 3.66Å; F32-M40 HydrophobicContact CE1-SD 4.26Å; F32-M40 HydrophobicContact CE2-SD 4.28Å; F32-M40 HydrophobicContact CG-SD 4.36Å; F32-M40 HydrophobicContact CZ-CE 3.94Å; F32-M40 HydrophobicContact CZ-SD 4.24Å; F32-I96 HydrophobicContact CD2-CD1 3.65Å; F32-I96 HydrophobicContact CD2-CG1 3.72Å; F32-I96 HydrophobicContact CE2-CD1 3.42Å; F32-I96 VanDerWaalsContact CE2-CD1 3.42Å; F32-I96 HydrophobicContact CE2-CG1 3.78Å; F32-I96 HydrophobicContact CZ-CD1 4.28Å; F32-L99 HydrophobicContact CE2-CB 4.27Å; F32-L99 HydrophobicContact CZ-CB 4.21Å; F32-M103 HydrophobicContact CE1-CE 4.22Å; F32-M103 HydrophobicContact CE1-SD 3.86Å; F32-M103 HydrophobicContact CZ-SD 3.7Å; F32-H104 AromaticContact CD1-CD2 3.94Å; F32-H104 AromaticContact CD1-NE2 3.61Å; F32-H104 AromaticContact CE1-CD2 3.57Å; F32-H104 AromaticContact CE1-NE2 3.3Å; F32-H104 VanDerWaalsContact CE1-NE2 3.3Å; F32-H104 WeakPolarHBondContact CE1-NE2 3.4Å
33S94.6Very high93Very high54 Ų5480.3 Ų80.338%0.37837%0.368SS..  trans-68.4162.4168.772.20000111.6K35 E36 L37S33-K35 PolarHBondContact O-N 3.02Å; S33-E36 WeakPolarHBondContact CA-OE2 3.15Å; S33-E36 WeakPolarHBondContact CB-OE2 3.27Å; S33-E36 PolarHBondContact N-OE2 3.45Å; S33-E36 PolarHBondContact O-N 2.81Å; S33-E36 VanDerWaalsContact OG-CD 3.29Å; S33-E36 WeakPolarHBondContact OG-CG 3.1Å; S33-E36 PolarHBondContact OG-N 3.09Å; S33-E36 PolarHBondContact OG-OE2 3.08Å; S33-L37 WeakPolarHBondContact O-CG 3.28Å; S33-L37 PolarHBondContact O-N 2.8Å
34R95.5Very high92.8Very high128 Ų12878.8 Ų78.848%0.48336%0.36SS..Hα-helixtrans-55.7-40175.8-172.3-176.6-178.185.60.5112.1I23 L27 Q38I23-R34 HydrophobicContact CD1-CG 3.64Å; L27-R34 HydrophobicContact CD1-CB 4.45Å; L27-R34 HydrophobicContact CD2-CB 4.27Å; R34-Q38 VanDerWaalsContact O-CG 3.28Å; R34-Q38 WeakPolarHBondContact O-CG 3.48Å; R34-Q38 PolarHBondContact O-N 2.79Å; R34-Q38 VanDerWaalsContact O-N 3.13Å
35K94.8Very high92.6Very high150 Ų15073 Ų7365%0.65234%0.335SS*.Hα-helixtrans-69.3-43.4-178-172.1179.4179.1-175.90111.1S33 Q38 I39S33-K35 PolarHBondContact O-N 3.02Å; K35-Q38 PolarHBondContact O-N 3.35Å; K35-I39 HydrophobicContact CG-CD1 4.09Å; K35-I39 WeakPolarHBondContact O-CG1 3.45Å; K35-I39 PolarHBondContact O-N 3.16Å
36E93.6Very high92.2Very high78 Ų7878.3 Ų78.336%0.36436%0.357SS..Hα-helixtrans-60.9-48176-72.7160.2141.800111.3F32 S33 Q38 I39 M40F32-E36 HydrophobicContact CB-CB 4.14Å; F32-E36 HydrophobicContact CD1-CB 4.32Å; S33-E36 WeakPolarHBondContact CA-OE2 3.15Å; S33-E36 WeakPolarHBondContact CB-OE2 3.27Å; S33-E36 PolarHBondContact N-OE2 3.45Å; S33-E36 PolarHBondContact O-N 2.81Å; S33-E36 VanDerWaalsContact OG-CD 3.29Å; S33-E36 WeakPolarHBondContact OG-CG 3.1Å; S33-E36 PolarHBondContact OG-N 3.09Å; S33-E36 PolarHBondContact OG-OE2 3.08Å; E36-Q38 VanDerWaalsContact C-N 3.26Å; E36-Q38 PolarHBondContact O-N 3.05Å; E36-I39 PolarHBondContact O-N 3Å; E36-I39 VanDerWaalsContact O-N 3.15Å; E36-M40 WeakPolarHBondContact O-CB 3.46Å; E36-M40 WeakPolarHBondContact O-CG 3.45Å; E36-M40 PolarHBondContact O-N 3.21Å
37L94.3Very high91.7Very high3 Ų382.6 Ų82.62%0.01638%0.376CS..Hα-helixtrans-58.4-38.1176.7-70.2176.6000112.6I23 L26 L27 F32 S33 Y41 I96I23-L37 HydrophobicContact CG1-CD1 4.28Å; L26-L37 HydrophobicContact CB-CD1 3.84Å; L26-L37 HydrophobicContact CB-CD2 4.46Å; L27-L37 HydrophobicContact CD2-CD1 3.69Å; L27-L37 HydrophobicContact CG-CD1 3.84Å; F32-L37 HydrophobicContact CB-CD2 3.83Å; F32-L37 HydrophobicContact CB-CG 3.83Å; F32-L37 HydrophobicContact CD2-CD2 4.06Å; F32-L37 HydrophobicContact CG-CD2 4.34Å; S33-L37 WeakPolarHBondContact O-CG 3.28Å; S33-L37 PolarHBondContact O-N 2.8Å; L37-Y41 WeakPolarHBondContact O-CB 3.3Å; L37-Y41 PolarHBondContact O-N 3Å; L37-I96 HydrophobicContact CD2-CD1 4.2Å; L37-I96 HydrophobicContact CD2-CG1 3.57Å
38Q92.7Very high91.3Very high88 Ų8879.7 Ų79.741%0.41136%0.362SS..Hα-helixtrans-66.8-43.9176.9-75.5174.3-40.700112I23 R34 K35 E36 Y41 Q42I23-Q38 HydrophobicContact CD1-CG 4.03Å; R34-Q38 VanDerWaalsContact O-CG 3.28Å; R34-Q38 WeakPolarHBondContact O-CG 3.48Å; R34-Q38 PolarHBondContact O-N 2.79Å; R34-Q38 VanDerWaalsContact O-N 3.13Å; K35-Q38 PolarHBondContact O-N 3.35Å; E36-Q38 VanDerWaalsContact C-N 3.26Å; E36-Q38 PolarHBondContact O-N 3.05Å; Q38-Y41 PolarHBondContact O-N 2.77Å; Q38-Q42 WeakPolarHBondContact O-CB 3.42Å; Q38-Q42 VanDerWaalsContact O-CG 3.26Å; Q38-Q42 WeakPolarHBondContact O-CG 3.22Å; Q38-Q42 PolarHBondContact O-N 3.03Å
39I92.5Very high90.8Very high97 Ų9774.6 Ų74.650%0.49735%0.354SS..Hα-helixtrans-65.1-47.8178.2-67.3166.3000110.2K35 E36 Y41 Q42 G43K35-I39 HydrophobicContact CG-CD1 4.09Å; K35-I39 WeakPolarHBondContact O-CG1 3.45Å; K35-I39 PolarHBondContact O-N 3.16Å; E36-I39 PolarHBondContact O-N 3Å; E36-I39 VanDerWaalsContact O-N 3.15Å; I39-Y41 VanDerWaalsContact C-N 3.33Å; I39-Y41 PolarHBondContact O-N 3.44Å; I39-Q42 WeakPolarHBondContact O-CB 3.31Å; I39-Q42 PolarHBondContact O-N 3.06Å; I39-G43 PolarHBondContact O-N 3.07Å
40M91.3Very high90.5Very high52 Ų5271.4 Ų71.426%0.25635%0.347SS..Hα-helixtrans-63-39.6178.7-70.9165.4172.700111.7F32 E36 G43 F44 F92 I96F32-M40 HydrophobicContact CD1-CE 4.05Å; F32-M40 HydrophobicContact CD1-SD 4.31Å; F32-M40 HydrophobicContact CD2-SD 4.35Å; F32-M40 HydrophobicContact CE1-CE 3.66Å; F32-M40 HydrophobicContact CE1-SD 4.26Å; F32-M40 HydrophobicContact CE2-SD 4.28Å; F32-M40 HydrophobicContact CG-SD 4.36Å; F32-M40 HydrophobicContact CZ-CE 3.94Å; F32-M40 HydrophobicContact CZ-SD 4.24Å; E36-M40 WeakPolarHBondContact O-CB 3.46Å; E36-M40 WeakPolarHBondContact O-CG 3.45Å; E36-M40 PolarHBondContact O-N 3.21Å; M40-G43 PolarHBondContact O-N 2.84Å; M40-F44 VanDerWaalsContact O-CB 3.3Å; M40-F44 WeakPolarHBondContact O-CB 3.28Å; M40-F44 PolarHBondContact O-N 3.29Å; M40-F92 HydrophobicContact CB-CE2 4.31Å; M40-F92 HydrophobicContact CB-CZ 4.23Å; M40-I96 HydrophobicContact CB-CD1 4.18Å; M40-I96 HydrophobicContact CG-CD1 4.34Å; M40-I96 HydrophobicContact SD-CD1 3.33Å; M40-I96 WeakPolarHBondContact SD-CD1 3.43Å
41Y91.4Very high90.2Very high74 Ų7471.1 Ų71.129%0.2935%0.346SS..Hα-helixtrans-66.3-38.5174.9-176.4-107.5000112.4P20 L37 Q38 I39 F44 K45 F92P20-Y41 HydrophobicContact CB-CE2 3.95Å; P20-Y41 HydrophobicContact CG-CE2 4Å; P20-Y41 WeakPolarHBondContact CG-OH 3.25Å; L37-Y41 WeakPolarHBondContact O-CB 3.3Å; L37-Y41 PolarHBondContact O-N 3Å; Q38-Y41 PolarHBondContact O-N 2.77Å; I39-Y41 VanDerWaalsContact C-N 3.33Å; I39-Y41 PolarHBondContact O-N 3.44Å; Y41-F44 PolarHBondContact O-N 2.79Å; Y41-K45 HydrophobicContact CD1-CG 4.23Å; Y41-K45 HydrophobicContact CD2-CG 4.3Å; Y41-K45 HydrophobicContact CE1-CD 4.48Å; Y41-K45 HydrophobicContact CE1-CG 3.73Å; Y41-K45 HydrophobicContact CE2-CD 4.06Å; Y41-K45 HydrophobicContact CE2-CG 3.82Å; Y41-K45 HydrophobicContact CG-CG 4.5Å; Y41-K45 VanDerWaalsContact CZ-CG 3.49Å; Y41-K45 WeakPolarHBondContact O-CB 3.46Å; Y41-K45 WeakPolarHBondContact O-CG 3.38Å; Y41-K45 PolarHBondContact O-N 3.46Å; Y41-F92 VanDerWaalsContact CA-CE2 3.49Å; Y41-F92 VanDerWaalsContact CA-CZ 3.48Å; Y41-F92 HydrophobicContact CD2-CB 4.38Å; Y41-F92 AromaticContact CD2-CD1 3.56Å; Y41-F92 HydrophobicContact CD2-CD1 3.56Å; Y41-F92 HydrophobicContact CD2-CD2 4.02Å; Y41-F92 AromaticContact CD2-CE1 3.73Å; Y41-F92 HydrophobicContact CD2-CE1 3.73Å; Y41-F92 HydrophobicContact CD2-CE2 4.19Å; Y41-F92 AromaticContact CD2-CG 3.7Å; Y41-F92 HydrophobicContact CD2-CG 3.7Å; Y41-F92 HydrophobicContact CD2-CZ 4.05Å; Y41-F92 HydrophobicContact CE2-CD1 4.29Å; Y41-F92 HydrophobicContact CE2-CG 4.31Å; Y41-F92 HydrophobicContact CG-CD1 4.46Å; Y41-F92 HydrophobicContact CG-CE1 4.2Å; Y41-F92 HydrophobicContact CG-CZ 4.31Å
42Q90.3Very high90.1Very high121 Ų12165.4 Ų65.457%0.56533%0.329SS*.Hα-helixtrans-61.7-48.8174.7-76.7172.7-3.300111.2Q38 I39 K45 Q46Q38-Q42 WeakPolarHBondContact O-CB 3.42Å; Q38-Q42 VanDerWaalsContact O-CG 3.26Å; Q38-Q42 WeakPolarHBondContact O-CG 3.22Å; Q38-Q42 PolarHBondContact O-N 3.03Å; I39-Q42 WeakPolarHBondContact O-CB 3.31Å; I39-Q42 PolarHBondContact O-N 3.06Å; Q42-K45 PolarHBondContact O-N 3.49Å; Q42-Q46 WeakPolarHBondContact O-CG 3.45Å; Q42-Q46 PolarHBondContact O-N 3.31Å
43G88.5Confident89.9Confident29 Ų2965.2 Ų65.230%0.29933%0.328SS..Hα-helixtrans-60-45.6175.400000112.2I39 M40 K45 Q46 E47I39-G43 PolarHBondContact O-N 3.07Å; M40-G43 PolarHBondContact O-N 2.84Å; G43-K45 VanDerWaalsContact C-N 3.32Å; G43-K45 PolarHBondContact O-N 3.04Å; G43-Q46 WeakPolarHBondContact O-CB 3.18Å; G43-Q46 PolarHBondContact O-N 3.46Å; G43-Q46 VanDerWaalsContact O-N 3.13Å; G43-E47 PolarHBondContact O-N 2.75Å; G43-E47 VanDerWaalsContact O-N 3.11Å
44F88.3Confident89.8Confident12 Ų1265.8 Ų65.85%0.05333%0.327CS..Hα-helixtrans-59.8-39.8177.3-173.1-88000112.5M40 Y41 C48 L53 F92 Y95M40-F44 VanDerWaalsContact O-CB 3.3Å; M40-F44 WeakPolarHBondContact O-CB 3.28Å; M40-F44 PolarHBondContact O-N 3.29Å; Y41-F44 PolarHBondContact O-N 2.79Å; F44-C48 HydrophobicContact CD1-CB 4.39Å; F44-C48 HydrophobicContact CE1-CB 4.14Å; F44-C48 HydrophobicContact CZ-CB 4.45Å; F44-C48 WeakPolarHBondContact O-CA 3.46Å; F44-C48 VanDerWaalsContact O-CB 3.26Å; F44-C48 WeakPolarHBondContact O-CB 3.08Å; F44-C48 PolarHBondContact O-N 3.42Å; F44-L53 HydrophobicContact CE2-CB 3.71Å; F44-L53 HydrophobicContact CE2-CD2 3.97Å; F44-L53 HydrophobicContact CE2-CG 4.49Å; F44-L53 HydrophobicContact CZ-CB 3.76Å; F44-F92 HydrophobicContact CB-CD2 3.67Å; F44-F92 HydrophobicContact CB-CE2 3.89Å; F44-F92 HydrophobicContact CD1-CB 4.06Å; F44-F92 AromaticContact CD1-CD2 3.87Å; F44-F92 HydrophobicContact CD1-CD2 3.87Å; F44-F92 HydrophobicContact CD1-CG 4.37Å; F44-F92 AromaticContact CD2-CD2 3.85Å; F44-F92 HydrophobicContact CD2-CD2 3.85Å; F44-F92 HydrophobicContact CE1-CB 3.95Å; F44-F92 HydrophobicContact CE1-CD2 4.47Å; F44-F92 HydrophobicContact CE2-CD2 4.44Å; F44-F92 HydrophobicContact CG-CB 4.48Å; F44-F92 AromaticContact CG-CD2 3.53Å; F44-F92 HydrophobicContact CG-CD2 3.53Å; F44-F92 HydrophobicContact CG-CE2 4.24Å; F44-F92 HydrophobicContact CG-CG 4.44Å; F44-F92 HydrophobicContact CZ-CB 4.27Å; F44-Y95 AromaticContact CD2-CD1 3.85Å; F44-Y95 HydrophobicContact CD2-CD1 3.85Å; F44-Y95 HydrophobicContact CD2-CE1 4.24Å; F44-Y95 HydrophobicContact CD2-CG 4.39Å; F44-Y95 HydrophobicContact CE2-CD1 4.15Å; F44-Y95 HydrophobicContact CE2-CG 4.24Å
45K88.3Confident89.6Confident57 Ų5762.2 Ų62.225%0.24832%0.316CS..Hα-helixtrans-74.1-24.5177.7-74-63.1-61.6176.60113.7Y41 Q42 G43 C48 P49Y41-K45 HydrophobicContact CD1-CG 4.23Å; Y41-K45 HydrophobicContact CD2-CG 4.3Å; Y41-K45 HydrophobicContact CE1-CD 4.48Å; Y41-K45 HydrophobicContact CE1-CG 3.73Å; Y41-K45 HydrophobicContact CE2-CD 4.06Å; Y41-K45 HydrophobicContact CE2-CG 3.82Å; Y41-K45 HydrophobicContact CG-CG 4.5Å; Y41-K45 VanDerWaalsContact CZ-CG 3.49Å; Y41-K45 WeakPolarHBondContact O-CB 3.46Å; Y41-K45 WeakPolarHBondContact O-CG 3.38Å; Y41-K45 PolarHBondContact O-N 3.46Å; Q42-K45 PolarHBondContact O-N 3.49Å; G43-K45 VanDerWaalsContact C-N 3.32Å; G43-K45 PolarHBondContact O-N 3.04Å; K45-C48 CarbonylContact O-C 3.6Å; K45-P49 PolarHBondContact NZ-O 3.03Å
46Q86.6Confident89.3Confident150 Ų15060.1 Ų60.170%0.70131%0.312SS*.Hα-helixtrans-70.2-46.4173.3-74.6172.7-4.800110.7Q42 G43Q42-Q46 WeakPolarHBondContact O-CG 3.45Å; Q42-Q46 PolarHBondContact O-N 3.31Å; G43-Q46 WeakPolarHBondContact O-CB 3.18Å; G43-Q46 PolarHBondContact O-N 3.46Å; G43-Q46 VanDerWaalsContact O-N 3.13Å
47E82.3Confident89.1Confident98 Ų9858.2 Ų58.246%0.45831%0.307SS..Hα-helixtrans-77.4-30.9177.9-60.6-64.4129.700112.2G43 P49 I61 K64G43-E47 PolarHBondContact O-N 2.75Å; G43-E47 VanDerWaalsContact O-N 3.11Å; E47-P49 WeakPolarHBondContact O-CD 3.47Å; E47-I61 HydrophobicContact CB-CD1 4.5Å; E47-K64 IonicContact OE1-NZ 3.86Å; E47-K64 IonicContact OE2-NZ 2.74Å; E47-K64 PolarHBondContact OE2-NZ 3.22Å
48C86Confident88.8Confident5 Ų558.3 Ų58.33%0.03431%0.308CS..  trans-127.779.2-176.3-55.60000112.7F44 K45 A50 G51 T52 L53F44-C48 HydrophobicContact CD1-CB 4.39Å; F44-C48 HydrophobicContact CE1-CB 4.14Å; F44-C48 HydrophobicContact CZ-CB 4.45Å; F44-C48 WeakPolarHBondContact O-CA 3.46Å; F44-C48 VanDerWaalsContact O-CB 3.26Å; F44-C48 WeakPolarHBondContact O-CB 3.08Å; F44-C48 PolarHBondContact O-N 3.42Å; K45-C48 CarbonylContact O-C 3.6Å; C48-A50 PolarHBondContact O-N 3.02Å; C48-A50 VanDerWaalsContact O-N 3.12Å; C48-G51 PolarHBondContact O-N 3.44Å; C48-T52 WeakPolarHBondContact CB-O 3.47Å; C48-L53 WeakPolarHBondContact SG-CD1 3.2Å
49P84Confident88.7Confident92 Ų9255.8 Ų55.860%0.59730%0.295SS*.THydrogen-bonded Turntrans-57.9-28.7-178.7-26.835.3000114.4K45 E47 G51K45-P49 PolarHBondContact NZ-O 3.03Å; E47-P49 WeakPolarHBondContact O-CD 3.47Å; P49-G51 VanDerWaalsContact C-N 3.27Å; P49-G51 PolarHBondContact O-N 2.88Å
50A85.9Confident88.4Confident36 Ų3656 Ų5630%0.29830%0.297SS..THydrogen-bonded Turntrans-68.7-21.7176.500000113.6I15 H18 C48I15-A50 HydrophobicContact CG2-CB 4.26Å; H18-A50 PolarHBondContact N-O 2.73Å; C48-A50 PolarHBondContact O-N 3.02Å; C48-A50 VanDerWaalsContact O-N 3.12Å
51G86.7Confident88Confident5 Ų555 Ų555%0.05229%0.293CS..SBendtrans89.35.9-17700000114.9C48 P49C48-G51 PolarHBondContact O-N 3.44Å; P49-G51 VanDerWaalsContact C-N 3.27Å; P49-G51 PolarHBondContact O-N 2.88Å
52T90.2Very high87.6Confident38 Ų3852.7 Ų52.723%0.23328%0.284CS..EExtended strand (participates in β ladder)trans-129.815017051.50000109.4H18 C48 L90H18-T52 HydrophobicContact CB-CG2 3.74Å; C48-T52 WeakPolarHBondContact CB-O 3.47Å; T52-L90 WeakPolarHBondContact CA-O 3.42Å
53L90.5Very high87.3Confident2 Ų249.3 Ų49.31%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-108.6117.6178.3176.561000107.6F44 C48 F58 I61 F79 T89 L90 Y95F44-L53 HydrophobicContact CE2-CB 3.71Å; F44-L53 HydrophobicContact CE2-CD2 3.97Å; F44-L53 HydrophobicContact CE2-CG 4.49Å; F44-L53 HydrophobicContact CZ-CB 3.76Å; C48-L53 WeakPolarHBondContact SG-CD1 3.2Å; L53-F58 HydrophobicContact CD1-CB 4.32Å; L53-F58 HydrophobicContact CD2-CD2 3.5Å; L53-F58 HydrophobicContact CD2-CE2 4.18Å; L53-F58 HydrophobicContact CG-CB 4.27Å; L53-F58 HydrophobicContact CG-CD2 4.03Å; L53-I61 HydrophobicContact CD1-CD1 3.82Å; L53-I61 HydrophobicContact CD2-CD1 4.39Å; L53-F79 WeakPolarHBondContact O-CE2 3.32Å; L53-T89 CarbonylContact O-C 3.59Å; L53-T89 WeakPolarHBondContact O-CA 3.16Å; L53-L90 HydrophobicContact CB-CB 4.32Å; L53-L90 PolarHBondContact N-O 3.26Å; L53-L90 PolarHBondContact O-N 3.05Å; L53-Y95 HydrophobicContact CD2-CD2 4.35Å
54N91.5Very high87.1Confident67 Ų6754.3 Ų54.336%0.35829%0.287SS..EExtended strand (participates in β ladder)trans-91.1169.417564.320.8000110.6D56 S57 F58 F79N54-D56 VanDerWaalsContact C-N 3.32Å; N54-D56 PolarHBondContact O-N 3.43Å; N54-S57 PolarHBondContact O-N 3.45Å; N54-S57 WeakPolarHBondContact OD1-CB 3.4Å; N54-S57 PolarHBondContact OD1-N 2.92Å; N54-S57 PolarHBondContact OD1-OG 3.01Å; N54-F58 WeakPolarHBondContact O-CB 3.14Å; N54-F58 PolarHBondContact O-N 3.22Å; N54-F79 VanDerWaalsContact C-CE2 3.47Å
55E91.3Very high86.7Confident52 Ų5261 Ų6124%0.24332%0.316CS..Hα-helixtrans-58.1-42.3-177-170.8-176.8145.100112.6F58 K59 Q76 F79E55-F58 WeakPolarHBondContact O-CB 3.31Å; E55-F58 PolarHBondContact O-N 2.83Å; E55-K59 HydrophobicContact CG-CD 4.39Å; E55-K59 WeakPolarHBondContact O-CG 3.19Å; E55-K59 PolarHBondContact O-N 3.43Å; E55-K59 WeakPolarHBondContact OE1-CE 3.28Å; E55-K59 IonicContact OE1-NZ 2.67Å; E55-K59 PolarHBondContact OE1-NZ 3.01Å; E55-Q76 VanDerWaalsContact OE1-CD 3.22Å; E55-Q76 WeakPolarHBondContact OE1-CG 3.47Å; E55-Q76 PolarHBondContact OE1-NE2 2.56Å; E55-Q76 VanDerWaalsContact OE1-NE2 3.09Å; E55-F79 HydrophobicContact CB-CD1 4.07Å; E55-F79 HydrophobicContact CB-CE1 4.11Å; E55-F79 HydrophobicContact CB-CG 4.3Å; E55-F79 HydrophobicContact CB-CZ 4.34Å; E55-F79 HydrophobicContact CG-CD1 4.22Å; E55-F79 HydrophobicContact CG-CG 4.29Å
56D89.8Confident86.3Confident106 Ų10661 Ų6157%0.56732%0.316SS*.Hα-helixtrans-64.9-46.1-179.1-63.9-35.3000112N54 F58 K59 D60N54-D56 VanDerWaalsContact C-N 3.32Å; N54-D56 PolarHBondContact O-N 3.43Å; D56-F58 PolarHBondContact O-N 3.16Å; D56-K59 WeakPolarHBondContact O-CB 3.33Å; D56-K59 PolarHBondContact O-N 3.32Å; D56-D60 PolarHBondContact O-N 3.29Å
57S88.3Confident86Confident38 Ų3858.4 Ų58.427%0.26631%0.312SS..Hα-helixtrans-62.8-34.4174.8-560000111.3N54 D60 I61N54-S57 PolarHBondContact O-N 3.45Å; N54-S57 WeakPolarHBondContact OD1-CB 3.4Å; N54-S57 PolarHBondContact OD1-N 2.92Å; N54-S57 PolarHBondContact OD1-OG 3.01Å; S57-D60 PolarHBondContact O-N 3.14Å; S57-I61 VanDerWaalsContact O-CG1 3.28Å; S57-I61 WeakPolarHBondContact O-CG1 3.37Å; S57-I61 PolarHBondContact O-N 3.11Å; S57-I61 VanDerWaalsContact O-N 3.15Å
58F89.2Confident85.9Confident5 Ų560.8 Ų60.82%0.02232%0.323CS..Hα-helixtrans-67.1-42.9176.7-165.6-91.3000111.4L53 N54 E55 D56 I61 Y62 A75 V78 F79 F82 L90 Y95L53-F58 HydrophobicContact CD1-CB 4.32Å; L53-F58 HydrophobicContact CD2-CD2 3.5Å; L53-F58 HydrophobicContact CD2-CE2 4.18Å; L53-F58 HydrophobicContact CG-CB 4.27Å; L53-F58 HydrophobicContact CG-CD2 4.03Å; N54-F58 WeakPolarHBondContact O-CB 3.14Å; N54-F58 PolarHBondContact O-N 3.22Å; E55-F58 WeakPolarHBondContact O-CB 3.31Å; E55-F58 PolarHBondContact O-N 2.83Å; D56-F58 PolarHBondContact O-N 3.16Å; F58-I61 PolarHBondContact O-N 2.71Å; F58-Y62 AromaticContact CD1-CD2 3.86Å; F58-Y62 HydrophobicContact CD1-CD2 3.86Å; F58-Y62 AromaticContact CD1-CE2 3.9Å; F58-Y62 HydrophobicContact CD1-CE2 3.9Å; F58-Y62 AromaticContact CE1-CD2 3.59Å; F58-Y62 HydrophobicContact CE1-CD2 3.59Å; F58-Y62 AromaticContact CE1-CE2 3.15Å; F58-Y62 HydrophobicContact CE1-CE2 3.15Å; F58-Y62 AromaticContact CE1-CZ 3.99Å; F58-Y62 HydrophobicContact CE2-CE2 4.31Å; F58-Y62 HydrophobicContact CZ-CD2 4.17Å; F58-Y62 AromaticContact CZ-CE2 3.39Å; F58-Y62 HydrophobicContact CZ-CE2 3.39Å; F58-Y62 WeakPolarHBondContact O-CD2 3.2Å; F58-Y62 PolarHBondContact O-N 2.93Å; F58-A75 HydrophobicContact CD1-CB 4.09Å; F58-A75 WeakPolarHBondContact CD1-O 3.38Å; F58-A75 HydrophobicContact CE1-CB 4.44Å; F58-A75 WeakPolarHBondContact CE1-O 3.07Å; F58-V78 HydrophobicContact CE1-CB 3.98Å; F58-V78 HydrophobicContact CE1-CG1 3.85Å; F58-V78 HydrophobicContact CZ-CB 4.3Å; F58-V78 HydrophobicContact CZ-CG1 3.65Å; F58-F79 HydrophobicContact CB-CD2 3.61Å; F58-F79 HydrophobicContact CB-CE2 4.21Å; F58-F79 HydrophobicContact CD1-CB 3.92Å; F58-F79 HydrophobicContact CD1-CD2 4.2Å; F58-F79 AromaticContact CD2-CD2 3.86Å; F58-F79 HydrophobicContact CD2-CD2 3.86Å; F58-F79 HydrophobicContact CE1-CB 4.23Å; F58-F79 HydrophobicContact CG-CB 4.25Å; F58-F79 AromaticContact CG-CD2 3.65Å; F58-F79 HydrophobicContact CG-CD2 3.65Å; F58-F79 HydrophobicContact CG-CG 4.44Å; F58-F82 HydrophobicContact CE2-CD2 4.38Å; F58-F82 HydrophobicContact CE2-CE2 4.41Å; F58-F82 HydrophobicContact CZ-CD2 4.46Å; F58-F82 HydrophobicContact CZ-CE2 4.31Å; F58-L90 HydrophobicContact CD2-CD1 4.31Å; F58-L90 HydrophobicContact CE2-CD1 4.29Å; F58-Y95 HydrophobicContact CE2-CE2 4.31Å
59K89.7Confident85.8Confident35 Ų3561.7 Ų61.715%0.15233%0.334CS..Hα-helixtrans-59.7-46.2173.1-73.3166.2177.3167.80111.5E55 D56 I61 Y62 C63 T72 A75E55-K59 HydrophobicContact CG-CD 4.39Å; E55-K59 WeakPolarHBondContact O-CG 3.19Å; E55-K59 PolarHBondContact O-N 3.43Å; E55-K59 WeakPolarHBondContact OE1-CE 3.28Å; E55-K59 IonicContact OE1-NZ 2.67Å; E55-K59 PolarHBondContact OE1-NZ 3.01Å; D56-K59 WeakPolarHBondContact O-CB 3.33Å; D56-K59 PolarHBondContact O-N 3.32Å; K59-I61 VanDerWaalsContact C-N 3.27Å; K59-I61 PolarHBondContact O-N 3.26Å; K59-Y62 PolarHBondContact O-N 3.45Å; K59-Y62 VanDerWaalsContact O-N 3.08Å; K59-C63 PolarHBondContact O-N 3.14Å; K59-C63 PolarHBondContact O-SG 2.93Å; K59-C63 VanDerWaalsContact O-SG 3.34Å; K59-T72 HydrophobicContact CD-CG2 4.04Å; K59-A75 HydrophobicContact CB-CB 4.36Å; K59-A75 HydrophobicContact CG-CB 3.83Å
60D86.6Confident85.9Confident102 Ų10261.1 Ų61.155%0.54533%0.326SS..Hα-helixtrans-57.9-40.5178.3-74.6-17.3000112.2D56 S57 C63 K64D56-D60 PolarHBondContact O-N 3.29Å; S57-D60 PolarHBondContact O-N 3.14Å; D60-C63 PolarHBondContact O-N 2.94Å; D60-K64 WeakPolarHBondContact O-CG 3.46Å; D60-K64 PolarHBondContact O-N 3.3Å
61I83.1Confident86.1Confident32 Ų3259.4 Ų59.416%0.16431%0.311CS..Hα-helixtrans-60.8-49.1175-67.8165.1000110.2E47 L53 S57 F58 K59 C63 K64 F65E47-I61 HydrophobicContact CB-CD1 4.5Å; L53-I61 HydrophobicContact CD1-CD1 3.82Å; L53-I61 HydrophobicContact CD2-CD1 4.39Å; S57-I61 VanDerWaalsContact O-CG1 3.28Å; S57-I61 WeakPolarHBondContact O-CG1 3.37Å; S57-I61 PolarHBondContact O-N 3.11Å; S57-I61 VanDerWaalsContact O-N 3.15Å; F58-I61 PolarHBondContact O-N 2.71Å; K59-I61 VanDerWaalsContact C-N 3.27Å; K59-I61 PolarHBondContact O-N 3.26Å; I61-C63 PolarHBondContact O-N 3.39Å; I61-K64 WeakPolarHBondContact O-CB 3.49Å; I61-K64 PolarHBondContact O-N 2.86Å; I61-F65 HydrophobicContact CG2-CD2 4.1Å; I61-F65 HydrophobicContact CG2-CE2 3.71Å; I61-F65 WeakPolarHBondContact O-CD2 3.48Å; I61-F65 PolarHBondContact O-N 3.25Å
62Y82.1Confident86.3Confident24 Ų2461.9 Ų61.99%0.09433%0.326CS..Hα-helixtrans-62.4-42.2179.2-94.6-99.4000112.9F58 K59 K64 F65 F66 Y74 A75 L200F58-Y62 AromaticContact CD1-CD2 3.86Å; F58-Y62 HydrophobicContact CD1-CD2 3.86Å; F58-Y62 AromaticContact CD1-CE2 3.9Å; F58-Y62 HydrophobicContact CD1-CE2 3.9Å; F58-Y62 AromaticContact CE1-CD2 3.59Å; F58-Y62 HydrophobicContact CE1-CD2 3.59Å; F58-Y62 AromaticContact CE1-CE2 3.15Å; F58-Y62 HydrophobicContact CE1-CE2 3.15Å; F58-Y62 AromaticContact CE1-CZ 3.99Å; F58-Y62 HydrophobicContact CE2-CE2 4.31Å; F58-Y62 HydrophobicContact CZ-CD2 4.17Å; F58-Y62 AromaticContact CZ-CE2 3.39Å; F58-Y62 HydrophobicContact CZ-CE2 3.39Å; F58-Y62 WeakPolarHBondContact O-CD2 3.2Å; F58-Y62 PolarHBondContact O-N 2.93Å; K59-Y62 PolarHBondContact O-N 3.45Å; K59-Y62 VanDerWaalsContact O-N 3.08Å; Y62-K64 PolarHBondContact O-N 3.45Å; Y62-F65 PolarHBondContact O-N 2.74Å; Y62-F66 HydrophobicContact CD1-CD2 4.25Å; Y62-F66 HydrophobicContact CD1-CE2 4.2Å; Y62-F66 HydrophobicContact CE1-CE2 4.46Å; Y62-F66 PolarHBondContact O-N 2.89Å; Y62-Y74 HydrophobicContact CD1-CD1 4.28Å; Y62-Y74 AromaticContact CE1-CD1 3.86Å; Y62-Y74 HydrophobicContact CE1-CD1 3.86Å; Y62-Y74 AromaticContact CE1-CE1 3.91Å; Y62-Y74 HydrophobicContact CE1-CE1 3.91Å; Y62-A75 HydrophobicContact CD1-CB 4.36Å; Y62-A75 HydrophobicContact CD2-CB 4.02Å; Y62-A75 HydrophobicContact CG-CB 3.79Å; Y62-L200 WeakPolarHBondContact OH-CD2 3.44Å
63C85.7Confident86.4Confident51 Ų5162.1 Ų62.135%0.34533%0.327SS..Hα-helixtrans-59.9-31.9176.8-70.60000112.6K59 D60 I61 F66K59-C63 PolarHBondContact O-N 3.14Å; K59-C63 PolarHBondContact O-SG 2.93Å; K59-C63 VanDerWaalsContact O-SG 3.34Å; D60-C63 PolarHBondContact O-N 2.94Å; I61-C63 PolarHBondContact O-N 3.39Å; C63-F66 CarbonylContact O-C 3.57Å
64K84Confident86.4Confident133 Ų13362 Ų6258%0.57833%0.327SS*.Hα-helixtrans-66.9-34.2173.8-67.5169-171.8177.70112.5E47 D60 I61 Y62E47-K64 IonicContact OE1-NZ 3.86Å; E47-K64 IonicContact OE2-NZ 2.74Å; E47-K64 PolarHBondContact OE2-NZ 3.22Å; D60-K64 WeakPolarHBondContact O-CG 3.46Å; D60-K64 PolarHBondContact O-N 3.3Å; I61-K64 WeakPolarHBondContact O-CB 3.49Å; I61-K64 PolarHBondContact O-N 2.86Å; Y62-K64 PolarHBondContact O-N 3.45Å
65F80.1Confident86.5Confident154 Ų15458.9 Ų58.968%0.67531%0.31SS*.Hα-helixtrans-83.6-30.5179.9-71.8-71.2000113.4I61 Y62 P67I61-F65 HydrophobicContact CG2-CD2 4.1Å; I61-F65 HydrophobicContact CG2-CE2 3.71Å; I61-F65 WeakPolarHBondContact O-CD2 3.48Å; I61-F65 PolarHBondContact O-N 3.25Å; Y62-F65 PolarHBondContact O-N 2.74Å; F65-P67 WeakPolarHBondContact O-CD 3.43Å
66F79.1Confident86.5Confident55 Ų5560.1 Ų60.124%0.24132%0.316CS..  trans-119.259.5-178.5-61.1-87.9000111.5Y62 C63 Q68 G69 A71 L141 I199Y62-F66 HydrophobicContact CD1-CD2 4.25Å; Y62-F66 HydrophobicContact CD1-CE2 4.2Å; Y62-F66 HydrophobicContact CE1-CE2 4.46Å; Y62-F66 PolarHBondContact O-N 2.89Å; C63-F66 CarbonylContact O-C 3.57Å; F66-Q68 PolarHBondContact O-N 3.28Å; F66-G69 PolarHBondContact O-N 3.4Å; F66-A71 HydrophobicContact CB-CB 4.42Å; F66-L141 HydrophobicContact CB-CD1 3.67Å; F66-L141 HydrophobicContact CD1-CD1 3.96Å; F66-L141 HydrophobicContact CD1-CG 4.04Å; F66-L141 HydrophobicContact CD2-CD1 3.64Å; F66-L141 HydrophobicContact CD2-CG 4.44Å; F66-L141 HydrophobicContact CE1-CG 4.39Å; F66-L141 HydrophobicContact CE2-CD1 4.26Å; F66-L141 HydrophobicContact CG-CD1 3.47Å; F66-L141 VanDerWaalsContact CG-CD1 3.47Å; F66-L141 HydrophobicContact CG-CG 4.08Å; F66-I199 HydrophobicContact CE1-CG2 3.52Å; F66-I199 HydrophobicContact CE2-CG2 4.22Å; F66-I199 HydrophobicContact CZ-CG2 3.29Å
67P80.2Confident86.7Confident96 Ų9655.3 Ų55.362%0.62329%0.29SS*.THydrogen-bonded Turntrans-67-10-172.928.7-36.8000114.1F65F65-P67 WeakPolarHBondContact O-CD 3.43Å
68Q80.3Confident86.8Confident148 Ų14853.5 Ų53.569%0.69228%0.277SS*.THydrogen-bonded Turntrans-104.5-2.9-177.4-57.6-62.1-17.100113.5F66F66-Q68 PolarHBondContact O-N 3.28Å
69G82.9Confident86.9Confident25 Ų2553.5 Ų53.526%0.25828%0.277SS..SBendtrans-125.2177.7176.300000111.7F66 D140 L141F66-G69 PolarHBondContact O-N 3.4Å; G69-D140 CarbonylContact C-O 3.59Å; G69-D140 WeakPolarHBondContact CA-O 3.46Å; G69-L141 WeakPolarHBondContact CA-O 3.44Å
70D87.6Confident87Confident79 Ų7954.3 Ų54.342%0.42228%0.279SS..  trans-98.3101.6170.2-175.1-3.6000109.4T72 D140 L141D70-T72 VanDerWaalsContact C-N 3.3Å; D70-T72 WeakPolarHBondContact OD1-CB 3.21Å; D70-T72 PolarHBondContact OD1-N 2.85Å; D70-T72 PolarHBondContact OD1-OG1 3.24Å; D70-D140 HydrophobicContact CB-CB 4.34Å; D70-D140 PolarHBondContact N-O 2.86Å; D70-D140 CarbonylContact O-C 3.52Å; D70-L141 WeakPolarHBondContact O-CA 3.46Å; D70-L141 PolarHBondContact O-N 2.98Å
71A89.1Confident87.2Confident0 Ų049.7 Ų49.70%026%0.255CS..  trans-83.5-5.5-179.400000113.7F66 V73 Y74 A75 L141F66-A71 HydrophobicContact CB-CB 4.42Å; A71-V73 PolarHBondContact O-N 2.88Å; A71-Y74 PolarHBondContact O-N 3.17Å; A71-A75 WeakPolarHBondContact O-CB 3.5Å; A71-A75 PolarHBondContact O-N 2.85Å; A71-L141 HydrophobicContact CB-CD1 3.32Å
72T91.3Very high87.5Confident57 Ų5748.3 Ų48.335%0.3525%0.248SC..Hα-helixtrans-59.5-51.3-166.5-53.50000112.2K59 D70 Q76K59-T72 HydrophobicContact CD-CG2 4.04Å; D70-T72 VanDerWaalsContact C-N 3.3Å; D70-T72 WeakPolarHBondContact OD1-CB 3.21Å; D70-T72 PolarHBondContact OD1-N 2.85Å; D70-T72 PolarHBondContact OD1-OG1 3.24Å; T72-Q76 PolarHBondContact O-N 3.49Å; T72-Q76 VanDerWaalsContact O-N 3.11Å
73V92.1Very high87.9Confident44 Ų4447.6 Ų47.627%0.26725%0.246SC..Hα-helixtrans-71.5-42.7-176.4-175.40000110.2A71 Q76 L77 A137A71-V73 PolarHBondContact O-N 2.88Å; V73-Q76 WeakPolarHBondContact O-CB 3.47Å; V73-Q76 PolarHBondContact O-N 3.3Å; V73-L77 HydrophobicContact CG1-CD1 4.36Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.48Å; V73-A137 HydrophobicContact CB-CB 3.92Å; V73-A137 HydrophobicContact CG1-CB 3.66Å
74Y91.1Very high87.6Confident0 Ų050.9 Ų50.90%026%0.256CS..Hα-helixtrans-64.7-44.5179.1-173.8-101.6000111.7Y62 A71 Q76 L77 V78 L117 I138 L141 L200Y62-Y74 HydrophobicContact CD1-CD1 4.28Å; Y62-Y74 AromaticContact CE1-CD1 3.86Å; Y62-Y74 HydrophobicContact CE1-CD1 3.86Å; Y62-Y74 AromaticContact CE1-CE1 3.91Å; Y62-Y74 HydrophobicContact CE1-CE1 3.91Å; A71-Y74 PolarHBondContact O-N 3.17Å; Y74-Q76 VanDerWaalsContact C-N 3.29Å; Y74-Q76 PolarHBondContact O-N 2.91Å; Y74-L77 WeakPolarHBondContact O-CB 3.39Å; Y74-L77 PolarHBondContact O-N 3.04Å; Y74-L77 VanDerWaalsContact O-N 3.09Å; Y74-V78 HydrophobicContact CD1-CG2 3.87Å; Y74-V78 HydrophobicContact CE1-CG2 3.48Å; Y74-V78 VanDerWaalsContact CE1-CG2 3.48Å; Y74-V78 HydrophobicContact CE2-CG2 4.27Å; Y74-V78 HydrophobicContact CG-CG2 4.45Å; Y74-V78 WeakPolarHBondContact O-CG2 3.35Å; Y74-V78 PolarHBondContact O-N 3.08Å; Y74-L117 HydrophobicContact CE2-CD2 4.24Å; Y74-I138 HydrophobicContact CD2-CD1 4.45Å; Y74-I138 HydrophobicContact CD2-CG1 3.53Å; Y74-I138 HydrophobicContact CE2-CD1 3.94Å; Y74-I138 HydrophobicContact CE2-CG1 3.42Å; Y74-I138 VanDerWaalsContact CE2-CG1 3.42Å; Y74-L141 HydrophobicContact CD1-CD2 3.4Å; Y74-L141 HydrophobicContact CD2-CD2 4.39Å; Y74-L141 HydrophobicContact CE1-CD2 3.8Å; Y74-L141 HydrophobicContact CG-CD2 3.71Å; Y74-L200 HydrophobicContact CE1-CD2 4.25Å
75A92Very high87.7Confident0 Ų048.8 Ų48.80%025%0.251CS..Hα-helixtrans-59.2-40.4175.900000111.8F58 K59 Y62 A71 V78 F79F58-A75 HydrophobicContact CD1-CB 4.09Å; F58-A75 WeakPolarHBondContact CD1-O 3.38Å; F58-A75 HydrophobicContact CE1-CB 4.44Å; F58-A75 WeakPolarHBondContact CE1-O 3.07Å; K59-A75 HydrophobicContact CB-CB 4.36Å; K59-A75 HydrophobicContact CG-CB 3.83Å; Y62-A75 HydrophobicContact CD1-CB 4.36Å; Y62-A75 HydrophobicContact CD2-CB 4.02Å; Y62-A75 HydrophobicContact CG-CB 3.79Å; A71-A75 WeakPolarHBondContact O-CB 3.5Å; A71-A75 PolarHBondContact O-N 2.85Å; A75-V78 PolarHBondContact O-N 3.26Å; A75-F79 VanDerWaalsContact O-CB 3.24Å; A75-F79 WeakPolarHBondContact O-CB 3.38Å; A75-F79 PolarHBondContact O-N 3.34Å
76Q92.7Very high88Confident79 Ų7947.9 Ų47.937%0.36925%0.249SC..Hα-helixtrans-61.4-44.9173177173.237.300112.3E55 T72 V73 Y74 F79 R80E55-Q76 VanDerWaalsContact OE1-CD 3.22Å; E55-Q76 WeakPolarHBondContact OE1-CG 3.47Å; E55-Q76 PolarHBondContact OE1-NE2 2.56Å; E55-Q76 VanDerWaalsContact OE1-NE2 3.09Å; T72-Q76 PolarHBondContact O-N 3.49Å; T72-Q76 VanDerWaalsContact O-N 3.11Å; V73-Q76 WeakPolarHBondContact O-CB 3.47Å; V73-Q76 PolarHBondContact O-N 3.3Å; Y74-Q76 VanDerWaalsContact C-N 3.29Å; Y74-Q76 PolarHBondContact O-N 2.91Å; Q76-F79 PolarHBondContact O-N 3.45Å; Q76-R80 WeakPolarHBondContact O-CB 3.28Å; Q76-R80 PolarHBondContact O-N 3.33Å
77L92.7Very high88.5Confident5 Ų549 Ų493%0.02626%0.257CS..Hα-helixtrans-62.6-44.5178.3-68.6169.7000111.7V73 Y74 R80 S81 L117 I120 V134 A137V73-L77 HydrophobicContact CG1-CD1 4.36Å; V73-L77 WeakPolarHBondContact O-CG 3.48Å; V73-L77 PolarHBondContact O-N 3.48Å; Y74-L77 WeakPolarHBondContact O-CB 3.39Å; Y74-L77 PolarHBondContact O-N 3.04Å; Y74-L77 VanDerWaalsContact O-N 3.09Å; L77-R80 PolarHBondContact O-N 2.72Å; L77-S81 PolarHBondContact O-N 2.9Å; L77-L117 HydrophobicContact CB-CD1 3.93Å; L77-I120 HydrophobicContact CD2-CD1 3.84Å; L77-I120 HydrophobicContact CD2-CG1 3.98Å; L77-V134 HydrophobicContact CD1-CB 4.33Å; L77-V134 HydrophobicContact CD1-CG2 4Å; L77-A137 HydrophobicContact CD1-CB 3.72Å
78V91.5Very high89Confident0 Ų046.1 Ų46.10%025%0.245CC..Hα-helixtrans-64.9-45.5177175.40000110.6F58 Y74 A75 R80 S81 F82 W113 L117 L200F58-V78 HydrophobicContact CE1-CB 3.98Å; F58-V78 HydrophobicContact CE1-CG1 3.85Å; F58-V78 HydrophobicContact CZ-CB 4.3Å; F58-V78 HydrophobicContact CZ-CG1 3.65Å; Y74-V78 HydrophobicContact CD1-CG2 3.87Å; Y74-V78 HydrophobicContact CE1-CG2 3.48Å; Y74-V78 VanDerWaalsContact CE1-CG2 3.48Å; Y74-V78 HydrophobicContact CE2-CG2 4.27Å; Y74-V78 HydrophobicContact CG-CG2 4.45Å; Y74-V78 WeakPolarHBondContact O-CG2 3.35Å; Y74-V78 PolarHBondContact O-N 3.08Å; A75-V78 PolarHBondContact O-N 3.26Å; V78-R80 VanDerWaalsContact C-N 3.34Å; V78-R80 PolarHBondContact O-N 2.97Å; V78-S81 WeakPolarHBondContact O-CB 3.24Å; V78-S81 PolarHBondContact O-N 3.09Å; V78-S81 VanDerWaalsContact O-N 3.08Å; V78-S81 PolarHBondContact O-OG 3.35Å; V78-F82 HydrophobicContact CG1-CD1 4.38Å; V78-F82 HydrophobicContact CG1-CE1 3.93Å; V78-F82 HydrophobicContact CG1-CE2 4.18Å; V78-F82 HydrophobicContact CG1-CZ 3.82Å; V78-F82 PolarHBondContact O-N 2.97Å; V78-F82 VanDerWaalsContact O-N 3.12Å; V78-W113 HydrophobicContact CG1-CZ2 4.36Å; V78-W113 HydrophobicContact CG2-CZ2 4.46Å; V78-L117 HydrophobicContact CG2-CD1 3.99Å; V78-L200 HydrophobicContact CB-CD2 4.4Å; V78-L200 HydrophobicContact CG1-CD2 3.73Å; V78-L200 HydrophobicContact CG2-CD2 3.71Å
79F92.1Very high89.6Confident4 Ų441.1 Ų41.12%0.01823%0.225CC..Hα-helixtrans-56-49.6177.4-175-88.4000111.2L53 N54 E55 F58 A75 Q76 S81 F82 D83 G88 L90L53-F79 WeakPolarHBondContact O-CE2 3.32Å; N54-F79 VanDerWaalsContact C-CE2 3.47Å; E55-F79 HydrophobicContact CB-CD1 4.07Å; E55-F79 HydrophobicContact CB-CE1 4.11Å; E55-F79 HydrophobicContact CB-CG 4.3Å; E55-F79 HydrophobicContact CB-CZ 4.34Å; E55-F79 HydrophobicContact CG-CD1 4.22Å; E55-F79 HydrophobicContact CG-CG 4.29Å; F58-F79 HydrophobicContact CB-CD2 3.61Å; F58-F79 HydrophobicContact CB-CE2 4.21Å; F58-F79 HydrophobicContact CD1-CB 3.92Å; F58-F79 HydrophobicContact CD1-CD2 4.2Å; F58-F79 AromaticContact CD2-CD2 3.86Å; F58-F79 HydrophobicContact CD2-CD2 3.86Å; F58-F79 HydrophobicContact CE1-CB 4.23Å; F58-F79 HydrophobicContact CG-CB 4.25Å; F58-F79 AromaticContact CG-CD2 3.65Å; F58-F79 HydrophobicContact CG-CD2 3.65Å; F58-F79 HydrophobicContact CG-CG 4.44Å; A75-F79 VanDerWaalsContact O-CB 3.24Å; A75-F79 WeakPolarHBondContact O-CB 3.38Å; A75-F79 PolarHBondContact O-N 3.34Å; Q76-F79 PolarHBondContact O-N 3.45Å; F79-S81 VanDerWaalsContact C-N 3.29Å; F79-S81 PolarHBondContact O-N 2.97Å; F79-F82 WeakPolarHBondContact O-CA 3.42Å; F79-F82 WeakPolarHBondContact O-CB 3.41Å; F79-F82 PolarHBondContact O-N 3.02Å; F79-D83 HydrophobicContact CD1-CB 4.33Å; F79-D83 HydrophobicContact CE1-CB 4.05Å; F79-D83 PolarHBondContact O-N 3.44Å; F79-G88 WeakPolarHBondContact CZ-O 3.13Å; F79-L90 HydrophobicContact CD2-CD1 3.61Å; F79-L90 HydrophobicContact CD2-CG 4.03Å; F79-L90 HydrophobicContact CE2-CB 4.35Å; F79-L90 HydrophobicContact CE2-CD1 3.63Å; F79-L90 HydrophobicContact CE2-CG 3.57Å; F79-L90 HydrophobicContact CG-CD1 4.4Å; F79-L90 HydrophobicContact CZ-CD1 4.39Å; F79-L90 HydrophobicContact CZ-CG 3.89Å
80R91.8Very high90Very high53 Ų5340 Ų4020%0.221%0.212CC..Hα-helixtrans-58-40.2175.5-176.4-164.764.880.49.1112.2Q76 L77 V78 F82 D83 R116 L117 D119 I120Q76-R80 WeakPolarHBondContact O-CB 3.28Å; Q76-R80 PolarHBondContact O-N 3.33Å; L77-R80 PolarHBondContact O-N 2.72Å; V78-R80 VanDerWaalsContact C-N 3.34Å; V78-R80 PolarHBondContact O-N 2.97Å; R80-F82 PolarHBondContact O-N 3.11Å; R80-D83 PolarHBondContact O-N 3.43Å; R80-R116 PolarHBondContact NH2-O 3.48Å; R80-L117 PolarHBondContact NH2-O 2.85Å; R80-L117 VanDerWaalsContact NH2-O 3.13Å; R80-D119 VanDerWaalsContact CZ-O 3.24Å; R80-D119 PolarHBondContact NH1-O 2.96Å; R80-D119 PolarHBondContact NH2-O 2.99Å; R80-I120 WeakPolarHBondContact CD-O 3.37Å; R80-I120 PolarHBondContact NE-O 3.15Å; R80-I120 VanDerWaalsContact NH1-C 3.3Å; R80-I120 PolarHBondContact NH1-O 2.93Å
81S89.8Confident90.2Very high5 Ų537 Ų374%0.03520%0.198CC..Hα-helixtrans-65.8-21.7177.582.70000113.3L77 V78 F79 W113L77-S81 PolarHBondContact O-N 2.9Å; V78-S81 WeakPolarHBondContact O-CB 3.24Å; V78-S81 PolarHBondContact O-N 3.09Å; V78-S81 VanDerWaalsContact O-N 3.08Å; V78-S81 PolarHBondContact O-OG 3.35Å; F79-S81 VanDerWaalsContact C-N 3.29Å; F79-S81 PolarHBondContact O-N 2.97Å; S81-W113 PolarHBondContact OG-NE1 3.12Å
82F90Very high90.4Very high3 Ų337.3 Ų37.31%0.01320%0.199CC..Hα-helixtrans-92.8-34.9177.3-719.9000111.9F58 V78 F79 R80 Q84 L90 Y95 C98 L102 W113F58-F82 HydrophobicContact CE2-CD2 4.38Å; F58-F82 HydrophobicContact CE2-CE2 4.41Å; F58-F82 HydrophobicContact CZ-CD2 4.46Å; F58-F82 HydrophobicContact CZ-CE2 4.31Å; V78-F82 HydrophobicContact CG1-CD1 4.38Å; V78-F82 HydrophobicContact CG1-CE1 3.93Å; V78-F82 HydrophobicContact CG1-CE2 4.18Å; V78-F82 HydrophobicContact CG1-CZ 3.82Å; V78-F82 PolarHBondContact O-N 2.97Å; V78-F82 VanDerWaalsContact O-N 3.12Å; F79-F82 WeakPolarHBondContact O-CA 3.42Å; F79-F82 WeakPolarHBondContact O-CB 3.41Å; F79-F82 PolarHBondContact O-N 3.02Å; R80-F82 PolarHBondContact O-N 3.11Å; F82-Q84 VanDerWaalsContact C-N 3.26Å; F82-Q84 PolarHBondContact O-N 3.23Å; F82-L90 VanDerWaalsContact C-CD2 3.47Å; F82-L90 HydrophobicContact CB-CD1 3.72Å; F82-L90 HydrophobicContact CB-CD2 3.66Å; F82-L90 HydrophobicContact CB-CG 4.36Å; F82-L90 HydrophobicContact CD2-CD1 3.96Å; F82-L90 HydrophobicContact CG-CD1 4.37Å; F82-Y95 HydrophobicContact CD2-CD2 4.41Å; F82-Y95 HydrophobicContact CE2-CD2 4.29Å; F82-C98 HydrophobicContact CD1-CB 3.64Å; F82-C98 HydrophobicContact CD2-CB 3.83Å; F82-C98 HydrophobicContact CE1-CB 3.65Å; F82-C98 HydrophobicContact CE2-CB 3.82Å; F82-C98 HydrophobicContact CG-CB 3.75Å; F82-C98 HydrophobicContact CZ-CB 3.74Å; F82-L102 HydrophobicContact CE1-CD1 3.85Å; F82-L102 HydrophobicContact CZ-CD1 3.66Å; F82-W113 AromaticContact CD1-NE1 3.6Å; F82-W113 AromaticContact CE1-CE2 3.83Å; F82-W113 HydrophobicContact CE1-CZ2 4.05Å; F82-W113 AromaticContact CE1-NE1 3.28Å; F82-W113 VanDerWaalsContact CE1-NE1 3.28Å
83D90Very high90.4Very high9 Ų936.3 Ų36.35%0.04819%0.19CC..  trans-80.169.6-178.1-176.419.2000110.9F79 R80 D85 H86 N87 G88 L90F79-D83 HydrophobicContact CD1-CB 4.33Å; F79-D83 HydrophobicContact CE1-CB 4.05Å; F79-D83 PolarHBondContact O-N 3.44Å; R80-D83 PolarHBondContact O-N 3.43Å; D83-D85 PolarHBondContact O-N 2.97Å; D83-D85 VanDerWaalsContact OD1-OD1 3.1Å; D83-H86 PolarHBondContact O-CE1 3.44Å; D83-H86 PolarHBondContact O-N 3.29Å; D83-H86 VanDerWaalsContact O-N 3.1Å; D83-H86 PolarHBondContact O-ND1 2.85Å; D83-H86 PolarHBondContact OD1-N 3.35Å; D83-H86 VanDerWaalsContact OD1-N 3.15Å; D83-H86 WeakPolarHBondContact OD2-CA 3.46Å; D83-N87 PolarHBondContact OD1-N 3.49Å; D83-N87 PolarHBondContact OD2-N 2.89Å; D83-G88 WeakPolarHBondContact OD2-CA 3.3Å; D83-G88 PolarHBondContact OD2-N 3.5Å; D83-L90 HydrophobicContact CB-CD2 3.83Å
84Q80.3Confident90.4Very high120 Ų12036 Ų3656%0.56119%0.186SC*.THydrogen-bonded Turntrans-66.1-22.3-175.2-67.3174.528.500113.9F82 R116F82-Q84 VanDerWaalsContact C-N 3.26Å; F82-Q84 PolarHBondContact O-N 3.23Å; Q84-R116 VanDerWaalsContact CD-NH1 3.31Å
85D85.6Confident90.3Very high89 Ų8938.6 Ų38.648%0.47620%0.196SC..THydrogen-bonded Turntrans-96.82.217660.3-34.4000113D83 N87 Q94D83-D85 PolarHBondContact O-N 2.97Å; D83-D85 VanDerWaalsContact OD1-OD1 3.1Å; D85-N87 VanDerWaalsContact CG-ND2 3.31Å; D85-N87 PolarHBondContact O-N 3.19Å; D85-N87 PolarHBondContact OD1-ND2 3.44Å; D85-N87 PolarHBondContact OD2-ND2 3.21Å; D85-Q94 PolarHBondContact OD1-NE2 3.32Å
86H85.6Confident90.3Very high135 Ų13538.6 Ų38.663%0.62520%0.196SC*.  trans52.137.7173.9-57.1-48.8000113.3D83D83-H86 PolarHBondContact O-CE1 3.44Å; D83-H86 PolarHBondContact O-N 3.29Å; D83-H86 VanDerWaalsContact O-N 3.1Å; D83-H86 PolarHBondContact O-ND1 2.85Å; D83-H86 PolarHBondContact OD1-N 3.35Å; D83-H86 VanDerWaalsContact OD1-N 3.15Å; D83-H86 WeakPolarHBondContact OD2-CA 3.46Å
87N89.7Confident90.3Very high78 Ų7838 Ų3842%0.41719%0.193SC..SBendtrans-92.5-3-177.578.531.9000112.6D83 D85 T89D83-N87 PolarHBondContact OD1-N 3.49Å; D83-N87 PolarHBondContact OD2-N 2.89Å; D85-N87 VanDerWaalsContact CG-ND2 3.31Å; D85-N87 PolarHBondContact O-N 3.19Å; D85-N87 PolarHBondContact OD1-ND2 3.44Å; D85-N87 PolarHBondContact OD2-ND2 3.21Å; N87-T89 VanDerWaalsContact C-N 3.32Å; N87-T89 VanDerWaalsContact OD1-CA 3.31Å; N87-T89 WeakPolarHBondContact OD1-CA 3.33Å; N87-T89 WeakPolarHBondContact OD1-CB 3.35Å; N87-T89 PolarHBondContact OD1-N 2.79Å; N87-T89 PolarHBondContact OD1-O 3.42Å; N87-T89 PolarHBondContact OD1-OG1 3.24Å
88G90.9Very high90.1Very high36 Ų3638.2 Ų38.237%0.37120%0.195SC..SBendtrans82.15.8-179.500000114.2F79 D83F79-G88 WeakPolarHBondContact CZ-O 3.13Å; D83-G88 WeakPolarHBondContact OD2-CA 3.3Å; D83-G88 PolarHBondContact OD2-N 3.5Å
89T92.3Very high90Very high43 Ų4339.6 Ų39.626%0.26420%0.202SC..EExtended strand (participates in β ladder)trans-141.7139.1-178.270.90000112.5L53 N87L53-T89 CarbonylContact O-C 3.59Å; L53-T89 WeakPolarHBondContact O-CA 3.16Å; N87-T89 VanDerWaalsContact C-N 3.32Å; N87-T89 VanDerWaalsContact OD1-CA 3.31Å; N87-T89 WeakPolarHBondContact OD1-CA 3.33Å; N87-T89 WeakPolarHBondContact OD1-CB 3.35Å; N87-T89 PolarHBondContact OD1-N 2.79Å; N87-T89 PolarHBondContact OD1-O 3.42Å; N87-T89 PolarHBondContact OD1-OG1 3.24Å
90L92.1Very high90Very high0 Ų039.8 Ų39.80%020%0.204CC..EExtended strand (participates in β ladder)trans-99.9121.7171.4-62.6176000110T52 L53 F58 F79 F82 D83 Q94T52-L90 WeakPolarHBondContact CA-O 3.42Å; L53-L90 HydrophobicContact CB-CB 4.32Å; L53-L90 PolarHBondContact N-O 3.26Å; L53-L90 PolarHBondContact O-N 3.05Å; F58-L90 HydrophobicContact CD2-CD1 4.31Å; F58-L90 HydrophobicContact CE2-CD1 4.29Å; F79-L90 HydrophobicContact CD2-CD1 3.61Å; F79-L90 HydrophobicContact CD2-CG 4.03Å; F79-L90 HydrophobicContact CE2-CB 4.35Å; F79-L90 HydrophobicContact CE2-CD1 3.63Å; F79-L90 HydrophobicContact CE2-CG 3.57Å; F79-L90 HydrophobicContact CG-CD1 4.4Å; F79-L90 HydrophobicContact CZ-CD1 4.39Å; F79-L90 HydrophobicContact CZ-CG 3.89Å; F82-L90 VanDerWaalsContact C-CD2 3.47Å; F82-L90 HydrophobicContact CB-CD1 3.72Å; F82-L90 HydrophobicContact CB-CD2 3.66Å; F82-L90 HydrophobicContact CB-CG 4.36Å; F82-L90 HydrophobicContact CD2-CD1 3.96Å; F82-L90 HydrophobicContact CG-CD1 4.37Å; D83-L90 HydrophobicContact CB-CD2 3.83Å; L90-Q94 HydrophobicContact CD2-CB 4.33Å
91T92Very high89.8Confident18 Ų1838.7 Ų38.711%0.1120%0.204CC..EExtended strand (participates in β ladder)trans-69.1156.1164.265.10000110.2H18 E93 Q94 Y95H18-T91 WeakPolarHBondContact NE2-CG2 3.42Å; T91-E93 PolarHBondContact O-N 2.88Å; T91-E93 VanDerWaalsContact O-N 3.15Å; T91-Q94 PolarHBondContact O-N 3.1Å; T91-Q94 VanDerWaalsContact O-N 3.09Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.43Å; T91-Q94 PolarHBondContact OG1-N 2.94Å; T91-Q94 PolarHBondContact OG1-OE1 3.26Å; T91-Y95 PolarHBondContact O-N 3.39Å
92F91.9Very high89.6Confident6 Ų639.7 Ų39.73%0.02621%0.209CC..Hα-helixtrans-54.7-34.5172.6-179.1-110.2000112.4L26 M40 Y41 F44 I96L26-F92 HydrophobicContact CD1-CD1 3.99Å; L26-F92 HydrophobicContact CD1-CE1 3.76Å; M40-F92 HydrophobicContact CB-CE2 4.31Å; M40-F92 HydrophobicContact CB-CZ 4.23Å; Y41-F92 VanDerWaalsContact CA-CE2 3.49Å; Y41-F92 VanDerWaalsContact CA-CZ 3.48Å; Y41-F92 HydrophobicContact CD2-CB 4.38Å; Y41-F92 AromaticContact CD2-CD1 3.56Å; Y41-F92 HydrophobicContact CD2-CD1 3.56Å; Y41-F92 HydrophobicContact CD2-CD2 4.02Å; Y41-F92 AromaticContact CD2-CE1 3.73Å; Y41-F92 HydrophobicContact CD2-CE1 3.73Å; Y41-F92 HydrophobicContact CD2-CE2 4.19Å; Y41-F92 AromaticContact CD2-CG 3.7Å; Y41-F92 HydrophobicContact CD2-CG 3.7Å; Y41-F92 HydrophobicContact CD2-CZ 4.05Å; Y41-F92 HydrophobicContact CE2-CD1 4.29Å; Y41-F92 HydrophobicContact CE2-CG 4.31Å; Y41-F92 HydrophobicContact CG-CD1 4.46Å; Y41-F92 HydrophobicContact CG-CE1 4.2Å; Y41-F92 HydrophobicContact CG-CZ 4.31Å; F44-F92 HydrophobicContact CB-CD2 3.67Å; F44-F92 HydrophobicContact CB-CE2 3.89Å; F44-F92 HydrophobicContact CD1-CB 4.06Å; F44-F92 AromaticContact CD1-CD2 3.87Å; F44-F92 HydrophobicContact CD1-CD2 3.87Å; F44-F92 HydrophobicContact CD1-CG 4.37Å; F44-F92 AromaticContact CD2-CD2 3.85Å; F44-F92 HydrophobicContact CD2-CD2 3.85Å; F44-F92 HydrophobicContact CE1-CB 3.95Å; F44-F92 HydrophobicContact CE1-CD2 4.47Å; F44-F92 HydrophobicContact CE2-CD2 4.44Å; F44-F92 HydrophobicContact CG-CB 4.48Å; F44-F92 AromaticContact CG-CD2 3.53Å; F44-F92 HydrophobicContact CG-CD2 3.53Å; F44-F92 HydrophobicContact CG-CE2 4.24Å; F44-F92 HydrophobicContact CG-CG 4.44Å; F44-F92 HydrophobicContact CZ-CB 4.27Å; F92-I96 HydrophobicContact CE1-CG2 4.49Å; F92-I96 HydrophobicContact CZ-CB 4.37Å; F92-I96 HydrophobicContact CZ-CG1 4.41Å; F92-I96 WeakPolarHBondContact O-CB 3.45Å; F92-I96 VanDerWaalsContact O-CG2 3.27Å; F92-I96 WeakPolarHBondContact O-CG2 3.29Å; F92-I96 PolarHBondContact O-N 3.46Å
93E92.1Very high89.5Confident35 Ų3544.7 Ų44.716%0.16423%0.233CC..Hα-helixtrans-64.5-45.4177.2175.2174.4-146.700112.1V21 L26 K29 T91 I96 Q97V21-E93 HydrophobicContact CG2-CB 4.43Å; V21-E93 WeakPolarHBondContact CG2-OE2 3.28Å; L26-E93 HydrophobicContact CD2-CB 4.06Å; L26-E93 HydrophobicContact CD2-CG 3.94Å; K29-E93 WeakPolarHBondContact CD-OE1 3.24Å; K29-E93 WeakPolarHBondContact CE-OE1 3.43Å; K29-E93 IonicContact NZ-OE1 2.68Å; K29-E93 PolarHBondContact NZ-OE1 2.74Å; T91-E93 PolarHBondContact O-N 2.88Å; T91-E93 VanDerWaalsContact O-N 3.15Å; E93-I96 WeakPolarHBondContact O-CG2 3.46Å; E93-Q97 WeakPolarHBondContact O-CB 3.42Å; E93-Q97 VanDerWaalsContact O-CG 3.29Å; E93-Q97 WeakPolarHBondContact O-CG 3.33Å; E93-Q97 PolarHBondContact O-N 2.89Å; E93-Q97 VanDerWaalsContact O-N 3.08Å; E93-Q97 PolarHBondContact OE1-NE2 3.39Å
94Q91.8Very high89.4Confident37 Ų3747.3 Ų47.317%0.17325%0.245CC..Hα-helixtrans-64.3-47.5177.1-74.3161.8-59.100111D85 L90 T91 I96 Q97 C98D85-Q94 PolarHBondContact OD1-NE2 3.32Å; L90-Q94 HydrophobicContact CD2-CB 4.33Å; T91-Q94 PolarHBondContact O-N 3.1Å; T91-Q94 VanDerWaalsContact O-N 3.09Å; T91-Q94 WeakPolarHBondContact OG1-CG 3.43Å; T91-Q94 PolarHBondContact OG1-N 2.94Å; T91-Q94 PolarHBondContact OG1-OE1 3.26Å; Q94-I96 PolarHBondContact O-N 3.33Å; Q94-Q97 PolarHBondContact O-N 3.16Å; Q94-C98 PolarHBondContact O-N 2.87Å; Q94-C98 PolarHBondContact O-SG 3.07Å
95Y90.2Very high89.7Confident56 Ų5642.3 Ų42.322%0.2223%0.226CC..Hα-helixtrans-56-50.6178.4177.6-112.6000111.8F44 L53 F58 F82 T91 Q97 C98 L99F44-Y95 AromaticContact CD2-CD1 3.85Å; F44-Y95 HydrophobicContact CD2-CD1 3.85Å; F44-Y95 HydrophobicContact CD2-CE1 4.24Å; F44-Y95 HydrophobicContact CD2-CG 4.39Å; F44-Y95 HydrophobicContact CE2-CD1 4.15Å; F44-Y95 HydrophobicContact CE2-CG 4.24Å; L53-Y95 HydrophobicContact CD2-CD2 4.35Å; F58-Y95 HydrophobicContact CE2-CE2 4.31Å; F82-Y95 HydrophobicContact CD2-CD2 4.41Å; F82-Y95 HydrophobicContact CE2-CD2 4.29Å; T91-Y95 PolarHBondContact O-N 3.39Å; Y95-Q97 PolarHBondContact O-N 3.43Å; Y95-C98 PolarHBondContact O-N 2.95Å; Y95-L99 HydrophobicContact CD1-CD1 4.08Å; Y95-L99 HydrophobicContact CE1-CD1 3.47Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.47Å; Y95-L99 HydrophobicContact CE1-CG 4.4Å; Y95-L99 HydrophobicContact CE2-CD1 4.06Å; Y95-L99 HydrophobicContact CE2-CG 4.25Å; Y95-L99 VanDerWaalsContact CZ-CD1 3.47Å; Y95-L99 PolarHBondContact O-N 3.07Å
96I92.1Very high89.9Confident0 Ų041.1 Ų41.10%022%0.222CC..Hα-helixtrans-72.8-30.7-176.1-159.862.7000113.4L26 T30 F32 L37 M40 F92 E93 Q94 L99 S100L26-I96 HydrophobicContact CD2-CG2 4.04Å; T30-I96 HydrophobicContact CG2-CG1 4.42Å; T30-I96 HydrophobicContact CG2-CG2 4.04Å; F32-I96 HydrophobicContact CD2-CD1 3.65Å; F32-I96 HydrophobicContact CD2-CG1 3.72Å; F32-I96 HydrophobicContact CE2-CD1 3.42Å; F32-I96 VanDerWaalsContact CE2-CD1 3.42Å; F32-I96 HydrophobicContact CE2-CG1 3.78Å; F32-I96 HydrophobicContact CZ-CD1 4.28Å; L37-I96 HydrophobicContact CD2-CD1 4.2Å; L37-I96 HydrophobicContact CD2-CG1 3.57Å; M40-I96 HydrophobicContact CB-CD1 4.18Å; M40-I96 HydrophobicContact CG-CD1 4.34Å; M40-I96 HydrophobicContact SD-CD1 3.33Å; M40-I96 WeakPolarHBondContact SD-CD1 3.43Å; F92-I96 HydrophobicContact CE1-CG2 4.49Å; F92-I96 HydrophobicContact CZ-CB 4.37Å; F92-I96 HydrophobicContact CZ-CG1 4.41Å; F92-I96 WeakPolarHBondContact O-CB 3.45Å; F92-I96 VanDerWaalsContact O-CG2 3.27Å; F92-I96 WeakPolarHBondContact O-CG2 3.29Å; F92-I96 PolarHBondContact O-N 3.46Å; E93-I96 WeakPolarHBondContact O-CG2 3.46Å; Q94-I96 PolarHBondContact O-N 3.33Å; I96-L99 HydrophobicContact CD1-CD1 4.32Å; I96-S100 VanDerWaalsContact O-CB 3.28Å; I96-S100 WeakPolarHBondContact O-CB 3.36Å; I96-S100 PolarHBondContact O-N 3.16Å
97Q91.1Very high89.8Confident67 Ų6738.9 Ų38.931%0.31321%0.212SC..Hα-helixtrans-66.7-41.5173.1-78.8-178.653.800111.2K29 T30 E93 Q94 Y95 S100 C101K29-Q97 HydrophobicContact CB-CG 4.38Å; T30-Q97 HydrophobicContact CG2-CG 4.17Å; E93-Q97 WeakPolarHBondContact O-CB 3.42Å; E93-Q97 VanDerWaalsContact O-CG 3.29Å; E93-Q97 WeakPolarHBondContact O-CG 3.33Å; E93-Q97 PolarHBondContact O-N 2.89Å; E93-Q97 VanDerWaalsContact O-N 3.08Å; E93-Q97 PolarHBondContact OE1-NE2 3.39Å; Q94-Q97 PolarHBondContact O-N 3.16Å; Y95-Q97 PolarHBondContact O-N 3.43Å; Q97-S100 PolarHBondContact O-N 2.82Å; Q97-C101 WeakPolarHBondContact O-CB 3.3Å; Q97-C101 PolarHBondContact O-N 2.78Å
98C88.9Confident89.7Confident8 Ų839.7 Ų39.75%0.05422%0.216CC..Hα-helixtrans-63-47.8175-64.30000111F82 Q94 Y95 S100 C101 L102F82-C98 HydrophobicContact CD1-CB 3.64Å; F82-C98 HydrophobicContact CD2-CB 3.83Å; F82-C98 HydrophobicContact CE1-CB 3.65Å; F82-C98 HydrophobicContact CE2-CB 3.82Å; F82-C98 HydrophobicContact CG-CB 3.75Å; F82-C98 HydrophobicContact CZ-CB 3.74Å; Q94-C98 PolarHBondContact O-N 2.87Å; Q94-C98 PolarHBondContact O-SG 3.07Å; Y95-C98 PolarHBondContact O-N 2.95Å; C98-S100 VanDerWaalsContact C-N 3.33Å; C98-S100 PolarHBondContact O-N 3.15Å; C98-C101 VanDerWaalsContact O-CB 3.28Å; C98-C101 WeakPolarHBondContact O-CB 3.41Å; C98-C101 PolarHBondContact O-N 2.83Å; C98-C101 VanDerWaalsContact O-N 3.12Å; C98-L102 WeakPolarHBondContact O-CD1 3.43Å; C98-L102 WeakPolarHBondContact O-CG 3.49Å; C98-L102 PolarHBondContact O-N 3.17Å
99L89.5Confident89.5Confident29 Ų2940.6 Ų40.615%0.15221%0.212CC..Hα-helixtrans-59.4-42.5174.5-72-177.3000112.7F32 Y95 I96 C101 L102 M103F32-L99 HydrophobicContact CE2-CB 4.27Å; F32-L99 HydrophobicContact CZ-CB 4.21Å; Y95-L99 HydrophobicContact CD1-CD1 4.08Å; Y95-L99 HydrophobicContact CE1-CD1 3.47Å; Y95-L99 VanDerWaalsContact CE1-CD1 3.47Å; Y95-L99 HydrophobicContact CE1-CG 4.4Å; Y95-L99 HydrophobicContact CE2-CD1 4.06Å; Y95-L99 HydrophobicContact CE2-CG 4.25Å; Y95-L99 VanDerWaalsContact CZ-CD1 3.47Å; Y95-L99 PolarHBondContact O-N 3.07Å; I96-L99 HydrophobicContact CD1-CD1 4.32Å; L99-C101 VanDerWaalsContact C-N 3.26Å; L99-C101 PolarHBondContact O-N 3.24Å; L99-L102 PolarHBondContact O-N 3.39Å; L99-M103 WeakPolarHBondContact O-CB 3.22Å; L99-M103 WeakPolarHBondContact O-CG 3.46Å; L99-M103 PolarHBondContact O-N 3.25Å
100S91.8Very high89.2Confident8 Ų841.6 Ų41.66%0.05621%0.213CC..Hα-helixtrans-62.7-35.7177.1-177.10000112T30 R31 I96 Q97 C98 H104 G105T30-S100 WeakPolarHBondContact CA-OG 3.25Å; R31-S100 PolarHBondContact N-OG 2.87Å; I96-S100 VanDerWaalsContact O-CB 3.28Å; I96-S100 WeakPolarHBondContact O-CB 3.36Å; I96-S100 PolarHBondContact O-N 3.16Å; Q97-S100 PolarHBondContact O-N 2.82Å; C98-S100 VanDerWaalsContact C-N 3.33Å; C98-S100 PolarHBondContact O-N 3.15Å; S100-H104 CarbonylContact O-C 3.52Å; S100-H104 WeakPolarHBondContact O-CA 3.45Å; S100-H104 WeakPolarHBondContact O-CB 3.4Å; S100-H104 PolarHBondContact O-N 3.02Å; S100-G105 PolarHBondContact O-N 3.07Å
101C88.5Confident89Confident31 Ų3142 Ų4221%0.20922%0.216CC..Hα-helixtrans-65-44.4174.7-179.60000110.8Q97 C98 L99 G105Q97-C101 WeakPolarHBondContact O-CB 3.3Å; Q97-C101 PolarHBondContact O-N 2.78Å; C98-C101 VanDerWaalsContact O-CB 3.28Å; C98-C101 WeakPolarHBondContact O-CB 3.41Å; C98-C101 PolarHBondContact O-N 2.83Å; C98-C101 VanDerWaalsContact O-N 3.12Å; L99-C101 VanDerWaalsContact C-N 3.26Å; L99-C101 PolarHBondContact O-N 3.24Å; C101-G105 WeakPolarHBondContact O-CA 3.22Å; C101-G105 PolarHBondContact O-N 3.2Å
102L84.7Confident88.9Confident25 Ų2547.4 Ų47.413%0.13123%0.234CC..Hα-helixtrans-72.3-44.1-177.3-66.7161000112.7F82 C98 L99 K110 W113 L200F82-L102 HydrophobicContact CE1-CD1 3.85Å; F82-L102 HydrophobicContact CZ-CD1 3.66Å; C98-L102 WeakPolarHBondContact O-CD1 3.43Å; C98-L102 WeakPolarHBondContact O-CG 3.49Å; C98-L102 PolarHBondContact O-N 3.17Å; L99-L102 PolarHBondContact O-N 3.39Å; L102-K110 VanDerWaalsContact O-CE 3.29Å; L102-K110 WeakPolarHBondContact O-CE 3.41Å; L102-W113 HydrophobicContact CD2-CB 4.26Å; L102-W113 HydrophobicContact CD2-CD2 3.4Å; L102-W113 HydrophobicContact CD2-CE3 3.35Å; L102-W113 HydrophobicContact CD2-CG 3.77Å; L102-W113 HydrophobicContact CD2-CZ3 3.95Å; L102-W113 HydrophobicContact CG-CD2 4.39Å; L102-L200 HydrophobicContact CD1-CD1 3.37Å; L102-L200 HydrophobicContact CD2-CD1 3.65Å; L102-L200 HydrophobicContact CG-CD1 4.02Å
103M87.4Confident88.8Confident108 Ų10847.2 Ų47.253%0.53223%0.233SC..Hα-helixtrans-81.1-35.1-175.9-64.1178.769.300113.1F32 L99F32-M103 HydrophobicContact CE1-CE 4.22Å; F32-M103 HydrophobicContact CE1-SD 3.86Å; F32-M103 HydrophobicContact CZ-SD 3.7Å; L99-M103 WeakPolarHBondContact O-CB 3.22Å; L99-M103 WeakPolarHBondContact O-CG 3.46Å; L99-M103 PolarHBondContact O-N 3.25Å
104H89.4Confident88.7Confident65 Ų6545.6 Ų45.630%0.30123%0.226SC..Hα-helixtrans-130.10.4-169.4-56.9-60.4000113.9R31 F32 S100R31-H104 HydrophobicContact CB-CB 3.65Å; R31-H104 VanDerWaalsContact CD-CB 3.49Å; R31-H104 WeakPolarHBondContact CD-O 3.45Å; R31-H104 HydrophobicContact CG-CB 4.15Å; R31-H104 VanDerWaalsContact CZ-O 3.24Å; R31-H104 PolarHBondContact NE-O 3.34Å; R31-H104 PolarHBondContact NH1-O 3.05Å; F32-H104 AromaticContact CD1-CD2 3.94Å; F32-H104 AromaticContact CD1-NE2 3.61Å; F32-H104 AromaticContact CE1-CD2 3.57Å; F32-H104 AromaticContact CE1-NE2 3.3Å; F32-H104 VanDerWaalsContact CE1-NE2 3.3Å; F32-H104 WeakPolarHBondContact CE1-NE2 3.4Å; S100-H104 CarbonylContact O-C 3.52Å; S100-H104 WeakPolarHBondContact O-CA 3.45Å; S100-H104 WeakPolarHBondContact O-CB 3.4Å; S100-H104 PolarHBondContact O-N 3.02Å
105G86.1Confident88.8Confident15 Ų1544.4 Ų44.416%0.15522%0.22CC..  trans-68.4166.9176.500000112.7S100 C101S100-G105 PolarHBondContact O-N 3.07Å; C101-G105 WeakPolarHBondContact O-CA 3.22Å; C101-G105 PolarHBondContact O-N 3.2Å
106T88.8Confident88.8Confident64 Ų6445.1 Ų45.139%0.39322%0.222SC..  trans-70.6167.5169.665.90000110.7N108 D109 K110T106-N108 PolarHBondContact O-N 3.25Å; T106-D109 WeakPolarHBondContact CB-OD2 3.46Å; T106-D109 PolarHBondContact N-OD2 3.01Å; T106-D109 WeakPolarHBondContact O-CB 3.28Å; T106-D109 PolarHBondContact O-N 2.96Å; T106-D109 PolarHBondContact OG1-N 3.3Å; T106-D109 PolarHBondContact OG1-OD2 3.06Å; T106-K110 PolarHBondContact O-N 3.08Å; T106-K110 VanDerWaalsContact O-N 3.1Å
107Q83.9Confident88.9Confident88 Ų8845.1 Ų45.141%0.41122%0.222SC..Hα-helixtrans-55.1-40172.8-169.961.622.700111.7D109 K110 L111Q107-D109 VanDerWaalsContact C-N 3.32Å; Q107-D109 PolarHBondContact O-N 3.01Å; Q107-K110 PolarHBondContact O-N 3.06Å; Q107-L111 HydrophobicContact CG-CD1 4.2Å; Q107-L111 HydrophobicContact CG-CG 4.41Å; Q107-L111 WeakPolarHBondContact O-CG 3.43Å; Q107-L111 PolarHBondContact O-N 3.28Å
108N87.2Confident89Confident94 Ų9442.2 Ų42.250%0.50321%0.208SC..Hα-helixtrans-64.2-35.9177.1-72.3-25.5000112.9T106 R112T106-N108 PolarHBondContact O-N 3.25Å; N108-R112 VanDerWaalsContact O-CB 3.28Å; N108-R112 WeakPolarHBondContact O-CB 3.35Å; N108-R112 PolarHBondContact O-N 3.07Å
109D88.1Confident89.2Confident55 Ų5542.3 Ų42.329%0.29421%0.208SC..Hα-helixtrans-65.3-43176.3-62.4-43.1000110.7T106 Q107 R112 W113T106-D109 WeakPolarHBondContact CB-OD2 3.46Å; T106-D109 PolarHBondContact N-OD2 3.01Å; T106-D109 WeakPolarHBondContact O-CB 3.28Å; T106-D109 PolarHBondContact O-N 2.96Å; T106-D109 PolarHBondContact OG1-N 3.3Å; T106-D109 PolarHBondContact OG1-OD2 3.06Å; Q107-D109 VanDerWaalsContact C-N 3.32Å; Q107-D109 PolarHBondContact O-N 3.01Å; D109-R112 PolarHBondContact O-N 3.43Å; D109-W113 PolarHBondContact O-N 3.02Å
110K86Confident89.4Confident64 Ų6442.4 Ų42.428%0.27821%0.209SC..Hα-helixtrans-64.8-46.8175.8-63.6-179.5-179.6-168.30112.2L102 T106 Q107 R112 W113 A114L102-K110 VanDerWaalsContact O-CE 3.29Å; L102-K110 WeakPolarHBondContact O-CE 3.41Å; T106-K110 PolarHBondContact O-N 3.08Å; T106-K110 VanDerWaalsContact O-N 3.1Å; Q107-K110 PolarHBondContact O-N 3.06Å; K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 3.26Å; K110-W113 PolarHBondContact O-N 2.87Å; K110-W113 VanDerWaalsContact O-N 3.16Å; K110-A114 WeakPolarHBondContact O-CB 3.19Å; K110-A114 PolarHBondContact O-N 2.99Å
111L88.3Confident89.5Confident10 Ų1046.7 Ų46.75%0.05223%0.231CC..Hα-helixtrans-62.1-39.7177-71.1175.8000111.9Q107 W113 A114 F115 F179 L180 C183Q107-L111 HydrophobicContact CG-CD1 4.2Å; Q107-L111 HydrophobicContact CG-CG 4.41Å; Q107-L111 WeakPolarHBondContact O-CG 3.43Å; Q107-L111 PolarHBondContact O-N 3.28Å; L111-W113 VanDerWaalsContact C-N 3.34Å; L111-A114 PolarHBondContact O-N 3.17Å; L111-F115 PolarHBondContact O-N 2.7Å; L111-F179 HydrophobicContact CB-CE1 4.25Å; L111-F179 HydrophobicContact CD2-CE1 4Å; L111-F179 WeakPolarHBondContact O-CE1 3.09Å; L111-L180 HydrophobicContact CB-CD2 3.92Å; L111-L180 HydrophobicContact CD1-CD2 3.91Å; L111-C183 HydrophobicContact CD1-CB 4.01Å; L111-C183 HydrophobicContact CD2-CB 3.91Å
112R89.8Confident89.7Confident131 Ų13147.6 Ų47.649%0.49425%0.245SC..Hα-helixtrans-63-41174-172.2-178.7-62.1-91-6112N108 D109 K110 R116 Y176N108-R112 VanDerWaalsContact O-CB 3.28Å; N108-R112 WeakPolarHBondContact O-CB 3.35Å; N108-R112 PolarHBondContact O-N 3.07Å; D109-R112 PolarHBondContact O-N 3.43Å; K110-R112 VanDerWaalsContact C-N 3.33Å; K110-R112 PolarHBondContact O-N 3.26Å; R112-R116 WeakPolarHBondContact O-CG 3.38Å; R112-R116 PolarHBondContact O-N 2.89Å; R112-Y176 HydrophobicContact CB-CE2 4.27Å; R112-Y176 HydrophobicContact CG-CE2 4.39Å; R112-Y176 PolarHBondContact NH2-OH 2.93Å
113W90.2Very high90.2Very high1 Ų150.4 Ų50.40%0.00426%0.261CS..Hα-helixtrans-66.4-44.5174.4178.179.6000111.8V78 S81 F82 L102 D109 K110 L111 F115 R116 L117 T197 L200V78-W113 HydrophobicContact CG1-CZ2 4.36Å; V78-W113 HydrophobicContact CG2-CZ2 4.46Å; S81-W113 PolarHBondContact OG-NE1 3.12Å; F82-W113 AromaticContact CD1-NE1 3.6Å; F82-W113 AromaticContact CE1-CE2 3.83Å; F82-W113 HydrophobicContact CE1-CZ2 4.05Å; F82-W113 AromaticContact CE1-NE1 3.28Å; F82-W113 VanDerWaalsContact CE1-NE1 3.28Å; L102-W113 HydrophobicContact CD2-CB 4.26Å; L102-W113 HydrophobicContact CD2-CD2 3.4Å; L102-W113 HydrophobicContact CD2-CE3 3.35Å; L102-W113 HydrophobicContact CD2-CG 3.77Å; L102-W113 HydrophobicContact CD2-CZ3 3.95Å; L102-W113 HydrophobicContact CG-CD2 4.39Å; D109-W113 PolarHBondContact O-N 3.02Å; K110-W113 PolarHBondContact O-N 2.87Å; K110-W113 VanDerWaalsContact O-N 3.16Å; L111-W113 VanDerWaalsContact C-N 3.34Å; W113-F115 VanDerWaalsContact C-N 3.32Å; W113-F115 PolarHBondContact O-N 2.97Å; W113-R116 WeakPolarHBondContact O-CB 3.44Å; W113-R116 PolarHBondContact O-N 3.36Å; W113-R116 VanDerWaalsContact O-N 3.11Å; W113-L117 HydrophobicContact CH2-CB 4.39Å; W113-L117 HydrophobicContact CH2-CD1 4.28Å; W113-L117 HydrophobicContact CH2-CD2 3.74Å; W113-L117 HydrophobicContact CH2-CG 4.37Å; W113-L117 HydrophobicContact CZ2-CB 4.47Å; W113-L117 HydrophobicContact CZ2-CD1 4.2Å; W113-L117 HydrophobicContact CZ2-CD2 4.43Å; W113-L117 HydrophobicContact CZ3-CD2 4.15Å; W113-L117 PolarHBondContact O-N 2.95Å; W113-T197 HydrophobicContact CE3-CG2 4.23Å; W113-T197 HydrophobicContact CZ3-CG2 3.76Å; W113-L200 HydrophobicContact CE3-CD1 4.15Å; W113-L200 HydrophobicContact CH2-CD1 3.04Å; W113-L200 HydrophobicContact CH2-CD2 4.04Å; W113-L200 HydrophobicContact CH2-CG 3.88Å; W113-L200 HydrophobicContact CZ2-CD1 3.47Å; W113-L200 VanDerWaalsContact CZ2-CD1 3.47Å; W113-L200 HydrophobicContact CZ2-CD2 4.27Å; W113-L200 HydrophobicContact CZ2-CG 4.42Å; W113-L200 HydrophobicContact CZ3-CD1 3.41Å; W113-L200 VanDerWaalsContact CZ3-CD1 3.41Å; W113-L200 HydrophobicContact CZ3-CG 4.47Å
114A89.9Confident90.6Very high2 Ų246.7 Ų46.72%0.01725%0.25CS..Hα-helixtrans-57-45.817700000111.4K110 L111 R116 L117 Y118 F179 T197K110-A114 WeakPolarHBondContact O-CB 3.19Å; K110-A114 PolarHBondContact O-N 2.99Å; L111-A114 PolarHBondContact O-N 3.17Å; A114-R116 VanDerWaalsContact C-N 3.34Å; A114-R116 PolarHBondContact O-N 3.01Å; A114-L117 VanDerWaalsContact O-CB 3.3Å; A114-L117 WeakPolarHBondContact O-CB 3.42Å; A114-L117 PolarHBondContact O-N 3.26Å; A114-L117 VanDerWaalsContact O-N 3.07Å; A114-Y118 VanDerWaalsContact O-CD2 3.25Å; A114-Y118 WeakPolarHBondContact O-CD2 3.44Å; A114-Y118 PolarHBondContact O-N 3.19Å; A114-Y118 VanDerWaalsContact O-N 3.15Å; A114-F179 HydrophobicContact CB-CE1 4.42Å; A114-F179 HydrophobicContact CB-CZ 4.11Å; A114-T197 HydrophobicContact CB-CG2 3.61Å
115F92.1Very high90.9Very high11 Ų1147.8 Ų47.85%0.04825%0.254CS..Hα-helixtrans-56.5-46.9175.4-173-92.6000111.8L111 W113 L117 Y118 D119 G124 V126 Y176 F179L111-F115 PolarHBondContact O-N 2.7Å; W113-F115 VanDerWaalsContact C-N 3.32Å; W113-F115 PolarHBondContact O-N 2.97Å; F115-L117 VanDerWaalsContact C-N 3.26Å; F115-L117 PolarHBondContact O-N 3.33Å; F115-Y118 CarbonylContact O-C 3.58Å; F115-Y118 PolarHBondContact O-N 2.99Å; F115-D119 HydrophobicContact CD1-CB 4.25Å; F115-D119 HydrophobicContact CE1-CB 3.94Å; F115-D119 WeakPolarHBondContact O-CB 3.28Å; F115-D119 PolarHBondContact O-N 2.85Å; F115-G124 WeakPolarHBondContact CZ-O 3.5Å; F115-V126 HydrophobicContact CD2-CG2 4.09Å; F115-V126 HydrophobicContact CE2-CG2 3.66Å; F115-V126 HydrophobicContact CZ-CG2 3.9Å; F115-Y176 HydrophobicContact CB-CD2 3.91Å; F115-Y176 HydrophobicContact CB-CE2 4.2Å; F115-Y176 AromaticContact CD1-CD2 3.99Å; F115-Y176 HydrophobicContact CD1-CD2 3.99Å; F115-Y176 HydrophobicContact CD2-CD2 4.02Å; F115-Y176 AromaticContact CG-CD2 3.68Å; F115-Y176 HydrophobicContact CG-CD2 3.68Å; F115-Y176 HydrophobicContact CG-CE2 4.46Å; F115-F179 HydrophobicContact CB-CD1 4.2Å; F115-F179 HydrophobicContact CB-CE1 4.23Å; F115-F179 HydrophobicContact CD2-CB 3.7Å; F115-F179 HydrophobicContact CD2-CD1 4.08Å; F115-F179 HydrophobicContact CD2-CD2 4.02Å; F115-F179 AromaticContact CD2-CG 3.68Å; F115-F179 HydrophobicContact CD2-CG 3.68Å; F115-F179 HydrophobicContact CE2-CB 4.04Å; F115-F179 HydrophobicContact CE2-CG 4.44Å
116R91.5Very high91.5Very high71 Ų7147.2 Ų47.227%0.26825%0.248SC..Hα-helixtrans-63.3-29.1176.6-70.9-174.4-63.8174.82.6113.8R80 Q84 R112 W113 A114 Y118 D119R80-R116 PolarHBondContact NH2-O 3.48Å; Q84-R116 VanDerWaalsContact CD-NH1 3.31Å; R112-R116 WeakPolarHBondContact O-CG 3.38Å; R112-R116 PolarHBondContact O-N 2.89Å; W113-R116 WeakPolarHBondContact O-CB 3.44Å; W113-R116 PolarHBondContact O-N 3.36Å; W113-R116 VanDerWaalsContact O-N 3.11Å; A114-R116 VanDerWaalsContact C-N 3.34Å; A114-R116 PolarHBondContact O-N 3.01Å; R116-Y118 VanDerWaalsContact C-N 3.35Å; R116-D119 VanDerWaalsContact O-O 3.1Å
117L92.8Very high91.9Very high1 Ų146.5 Ų46.51%0.00524%0.244CC..Hα-helixtrans-65.4-43.1173.5-176.271000110.4Y74 L77 V78 R80 W113 A114 F115 V134Y74-L117 HydrophobicContact CE2-CD2 4.24Å; L77-L117 HydrophobicContact CB-CD1 3.93Å; V78-L117 HydrophobicContact CG2-CD1 3.99Å; R80-L117 PolarHBondContact NH2-O 2.85Å; R80-L117 VanDerWaalsContact NH2-O 3.13Å; W113-L117 HydrophobicContact CH2-CB 4.39Å; W113-L117 HydrophobicContact CH2-CD1 4.28Å; W113-L117 HydrophobicContact CH2-CD2 3.74Å; W113-L117 HydrophobicContact CH2-CG 4.37Å; W113-L117 HydrophobicContact CZ2-CB 4.47Å; W113-L117 HydrophobicContact CZ2-CD1 4.2Å; W113-L117 HydrophobicContact CZ2-CD2 4.43Å; W113-L117 HydrophobicContact CZ3-CD2 4.15Å; W113-L117 PolarHBondContact O-N 2.95Å; A114-L117 VanDerWaalsContact O-CB 3.3Å; A114-L117 WeakPolarHBondContact O-CB 3.42Å; A114-L117 PolarHBondContact O-N 3.26Å; A114-L117 VanDerWaalsContact O-N 3.07Å; F115-L117 VanDerWaalsContact C-N 3.26Å; F115-L117 PolarHBondContact O-N 3.33Å; L117-V134 HydrophobicContact CD2-CG1 4.2Å; L117-V134 HydrophobicContact CG-CG1 4.26Å
118Y93.4Very high92.4Very high5 Ų546.8 Ų46.82%0.0224%0.243CC..Hα-helixtrans-75.8-37179.7-79.2-71.6000114.7A114 F115 R116 I120 E130 M131 V134 V135 L193 L196A114-Y118 VanDerWaalsContact O-CD2 3.25Å; A114-Y118 WeakPolarHBondContact O-CD2 3.44Å; A114-Y118 PolarHBondContact O-N 3.19Å; A114-Y118 VanDerWaalsContact O-N 3.15Å; F115-Y118 CarbonylContact O-C 3.58Å; F115-Y118 PolarHBondContact O-N 2.99Å; R116-Y118 VanDerWaalsContact C-N 3.35Å; Y118-I120 PolarHBondContact O-N 3.38Å; Y118-I120 VanDerWaalsContact O-N 3.16Å; Y118-E130 WeakPolarHBondContact O-CB 3.44Å; Y118-M131 HydrophobicContact CD1-CB 4.45Å; Y118-M131 HydrophobicContact CD1-CG 4.21Å; Y118-M131 HydrophobicContact CE1-CG 4.02Å; Y118-V134 HydrophobicContact CD1-CB 3.72Å; Y118-V134 HydrophobicContact CD1-CG1 3.89Å; Y118-V134 HydrophobicContact CD1-CG2 3.86Å; Y118-V134 HydrophobicContact CE1-CB 3.69Å; Y118-V134 HydrophobicContact CE1-CG1 3.62Å; Y118-V134 HydrophobicContact CE1-CG2 4.35Å; Y118-V135 HydrophobicContact CE1-CG2 4.46Å; Y118-L193 HydrophobicContact CD2-CD2 4.38Å; Y118-L193 HydrophobicContact CE2-CD2 3.48Å; Y118-L193 VanDerWaalsContact CE2-CD2 3.48Å; Y118-L196 WeakPolarHBondContact OH-CD1 3.49Å
119D94.8Very high92.8Very high10 Ų1044.6 Ų44.65%0.05324%0.243CC..  trans-77.694.3175.2174.63.2000108.2R80 F115 R116 N121 G122 D123 G124 V126R80-D119 VanDerWaalsContact CZ-O 3.24Å; R80-D119 PolarHBondContact NH1-O 2.96Å; R80-D119 PolarHBondContact NH2-O 2.99Å; F115-D119 HydrophobicContact CD1-CB 4.25Å; F115-D119 HydrophobicContact CE1-CB 3.94Å; F115-D119 WeakPolarHBondContact O-CB 3.28Å; F115-D119 PolarHBondContact O-N 2.85Å; R116-D119 VanDerWaalsContact O-O 3.1Å; D119-N121 PolarHBondContact OD1-OD1 3.11Å; D119-G122 WeakPolarHBondContact OD1-CA 3.3Å; D119-G122 PolarHBondContact OD1-N 3.3Å; D119-G122 WeakPolarHBondContact OD2-CA 3.33Å; D119-D123 PolarHBondContact OD1-N 2.77Å; D119-G124 WeakPolarHBondContact OD2-CA 3.35Å; D119-G124 PolarHBondContact OD2-N 2.76Å; D119-V126 HydrophobicContact CB-CG2 3.99Å
120I93.8Very high93.2Very high31 Ų3143 Ų4316%0.15923%0.234CC..SBendtrans-79.4-39.6-167.7-64.1176.2000111.1L77 R80 Y118 E130 K133 V134L77-I120 HydrophobicContact CD2-CD1 3.84Å; L77-I120 HydrophobicContact CD2-CG1 3.98Å; R80-I120 WeakPolarHBondContact CD-O 3.37Å; R80-I120 PolarHBondContact NE-O 3.15Å; R80-I120 VanDerWaalsContact NH1-C 3.3Å; R80-I120 PolarHBondContact NH1-O 2.93Å; Y118-I120 PolarHBondContact O-N 3.38Å; Y118-I120 VanDerWaalsContact O-N 3.16Å; I120-E130 HydrophobicContact CB-CB 4.45Å; I120-E130 HydrophobicContact CB-CG 3.98Å; I120-E130 HydrophobicContact CD1-CB 3.9Å; I120-E130 HydrophobicContact CD1-CG 4.09Å; I120-E130 HydrophobicContact CG1-CB 4.06Å; I120-E130 HydrophobicContact CG1-CG 4.13Å; I120-E130 PolarHBondContact N-OE1 2.81Å; I120-K133 HydrophobicContact CD1-CB 3.9Å; I120-K133 HydrophobicContact CD1-CD 3.74Å; I120-K133 HydrophobicContact CD1-CG 4.01Å; I120-V134 HydrophobicContact CD1-CG2 4.04Å; I120-V134 HydrophobicContact CG1-CG2 4.32Å
121N92.7Very high93.6Very high99 Ų9940.1 Ų40.153%0.52922%0.221SC..SBendtrans-84.3-14.3178.969.15.7000113.2D119 D123 E130D119-N121 PolarHBondContact OD1-OD1 3.11Å; N121-D123 VanDerWaalsContact ND2-CG 3.35Å; N121-D123 PolarHBondContact ND2-OD2 2.96Å; N121-D123 WeakPolarHBondContact OD1-CB 3.5Å; N121-D123 PolarHBondContact OD1-N 3.03Å; N121-D123 PolarHBondContact OD1-OD1 2.75Å; N121-D123 PolarHBondContact OD1-OD2 3.49Å; N121-E130 PolarHBondContact N-OE1 2.98Å; N121-E130 VanDerWaalsContact N-OE1 3.15Å; N121-E130 PolarHBondContact OD1-OE1 2.81Å
122G92.7Very high93.8Very high49 Ų4942.3 Ų42.351%0.50523%0.233SC..  trans76.82317900000113.8D119 G124D119-G122 WeakPolarHBondContact OD1-CA 3.3Å; D119-G122 PolarHBondContact OD1-N 3.3Å; D119-G122 WeakPolarHBondContact OD2-CA 3.33Å; G122-G124 VanDerWaalsContact C-N 3.26Å; G122-G124 PolarHBondContact O-N 3.38Å
123D94.8Very high94Very high84 Ų8440.9 Ų40.945%0.44923%0.231SC..SBendtrans-82.6-2.8-177.173.212.9000113.8D119 N121 F125D119-D123 PolarHBondContact OD1-N 2.77Å; N121-D123 VanDerWaalsContact ND2-CG 3.35Å; N121-D123 PolarHBondContact ND2-OD2 2.96Å; N121-D123 WeakPolarHBondContact OD1-CB 3.5Å; N121-D123 PolarHBondContact OD1-N 3.03Å; N121-D123 PolarHBondContact OD1-OD1 2.75Å; N121-D123 PolarHBondContact OD1-OD2 3.49Å; D123-F125 WeakPolarHBondContact OD1-CA 3.49Å; D123-F125 WeakPolarHBondContact OD1-CB 3.45Å; D123-F125 PolarHBondContact OD1-N 2.81Å
124G95.5Very high94Very high31 Ų3140.9 Ų40.932%0.3223%0.23SC..SBendtrans90.64.4-178.800000113.9F115 D119 G122F115-G124 WeakPolarHBondContact CZ-O 3.5Å; D119-G124 WeakPolarHBondContact OD2-CA 3.35Å; D119-G124 PolarHBondContact OD2-N 2.76Å; G122-G124 VanDerWaalsContact C-N 3.26Å; G122-G124 PolarHBondContact O-N 3.38Å
125F97.7Very high93.9Very high88 Ų8841 Ų4139%0.38623%0.231SC..EExtended strand (participates in β ladder)trans-129.7147.7178.9-58.9-85.8000110.9D123 V173 I174D123-F125 WeakPolarHBondContact OD1-CA 3.49Å; D123-F125 WeakPolarHBondContact OD1-CB 3.45Å; D123-F125 PolarHBondContact OD1-N 2.81Å; F125-V173 HydrophobicContact CB-CB 4.09Å; F125-V173 HydrophobicContact CB-CG2 4.35Å; F125-V173 HydrophobicContact CD1-CB 4.26Å; F125-V173 HydrophobicContact CD1-CG2 3.65Å; F125-V173 HydrophobicContact CE1-CG2 4.32Å; F125-V173 HydrophobicContact CG-CG2 4.23Å; F125-I174 CarbonylContact C-O 3.6Å; F125-I174 WeakPolarHBondContact CA-O 3.41Å
126V96.8Very high93.8Very high2 Ų242.8 Ų42.81%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-107.5115.8172.21790000109.1F115 D119 M131 I174F115-V126 HydrophobicContact CD2-CG2 4.09Å; F115-V126 HydrophobicContact CE2-CG2 3.66Å; F115-V126 HydrophobicContact CZ-CG2 3.9Å; D119-V126 HydrophobicContact CB-CG2 3.99Å; V126-M131 HydrophobicContact CG1-CB 4.26Å; V126-M131 HydrophobicContact CG1-CE 4.44Å; V126-I174 HydrophobicContact CB-CB 4.22Å; V126-I174 PolarHBondContact N-O 2.86Å; V126-I174 PolarHBondContact O-N 3.49Å
127T97.2Very high93.7Very high50 Ų5039.5 Ų39.531%0.30723%0.229SC..EExtended strand (participates in β ladder)trans-81.9158.5171.566.30000111.5G129 E130 M131 V173T127-G129 PolarHBondContact O-N 2.66Å; T127-E130 WeakPolarHBondContact CB-OE2 3.4Å; T127-E130 WeakPolarHBondContact CG2-OE2 3.47Å; T127-E130 PolarHBondContact N-OE2 3.36Å; T127-E130 PolarHBondContact O-N 3.46Å; T127-E130 WeakPolarHBondContact OG1-CG 3.43Å; T127-E130 PolarHBondContact OG1-N 3.13Å; T127-E130 PolarHBondContact OG1-OE2 3.09Å; T127-M131 PolarHBondContact O-N 2.9Å; T127-V173 HydrophobicContact CG2-CG1 4.15Å
128K95.2Very high93.4Very high93 Ų9339.5 Ų39.540%0.40423%0.229SC..Hα-helixtrans-57.7-35.8174.1-173.8-180170.9-174.60112.6L132 V159 E160 F163K128-L132 WeakPolarHBondContact O-CB 3.14Å; K128-L132 PolarHBondContact O-N 3.01Å; K128-V159 HydrophobicContact CG-CG1 3.84Å; K128-E160 WeakPolarHBondContact CE-OE2 3.4Å; K128-E160 IonicContact NZ-OE2 2.56Å; K128-E160 PolarHBondContact NZ-OE2 3.26Å; K128-F163 HydrophobicContact CB-CD2 3.85Å; K128-F163 HydrophobicContact CB-CE2 3.84Å; K128-F163 HydrophobicContact CB-CG 4.28Å; K128-F163 HydrophobicContact CB-CZ 4.25Å; K128-F163 HydrophobicContact CG-CD2 4.27Å; K128-F163 HydrophobicContact CG-CG 4.41Å
129G96.2Very high92.9Very high49 Ų4941.5 Ų41.551%0.50524%0.237SC..Hα-helixtrans-66.3-40.217800000112.6T127 L132 K133T127-G129 PolarHBondContact O-N 2.66Å; G129-L132 PolarHBondContact O-N 3.47Å; G129-K133 PolarHBondContact O-N 3.01Å
130E96.5Very high92.4Very high20 Ų2044.5 Ų44.59%0.09325%0.253CS..Hα-helixtrans-67.9-44.5175.5-68.6168.6122.900111.7Y118 I120 N121 T127 L132 K133 V134Y118-E130 WeakPolarHBondContact O-CB 3.44Å; I120-E130 HydrophobicContact CB-CB 4.45Å; I120-E130 HydrophobicContact CB-CG 3.98Å; I120-E130 HydrophobicContact CD1-CB 3.9Å; I120-E130 HydrophobicContact CD1-CG 4.09Å; I120-E130 HydrophobicContact CG1-CB 4.06Å; I120-E130 HydrophobicContact CG1-CG 4.13Å; I120-E130 PolarHBondContact N-OE1 2.81Å; N121-E130 PolarHBondContact N-OE1 2.98Å; N121-E130 VanDerWaalsContact N-OE1 3.15Å; N121-E130 PolarHBondContact OD1-OE1 2.81Å; T127-E130 WeakPolarHBondContact CB-OE2 3.4Å; T127-E130 WeakPolarHBondContact CG2-OE2 3.47Å; T127-E130 PolarHBondContact N-OE2 3.36Å; T127-E130 PolarHBondContact O-N 3.46Å; T127-E130 WeakPolarHBondContact OG1-CG 3.43Å; T127-E130 PolarHBondContact OG1-N 3.13Å; T127-E130 PolarHBondContact OG1-OE2 3.09Å; E130-L132 VanDerWaalsContact C-N 3.29Å; E130-L132 PolarHBondContact O-N 3.48Å; E130-K133 WeakPolarHBondContact O-CB 3Å; E130-K133 PolarHBondContact O-N 3.48Å; E130-K133 VanDerWaalsContact O-N 3.08Å; E130-V134 WeakPolarHBondContact O-CG2 3.11Å; E130-V134 PolarHBondContact O-N 2.88Å
131M93.3Very high92Very high4 Ų443.1 Ų43.12%0.0225%0.246CC..Hα-helixtrans-56.4-45174.3-172.5-178.5-6900111.7Y118 V126 T127 K133 V134 V135 V159 V162 F163 L166 I174Y118-M131 HydrophobicContact CD1-CB 4.45Å; Y118-M131 HydrophobicContact CD1-CG 4.21Å; Y118-M131 HydrophobicContact CE1-CG 4.02Å; V126-M131 HydrophobicContact CG1-CB 4.26Å; V126-M131 HydrophobicContact CG1-CE 4.44Å; T127-M131 PolarHBondContact O-N 2.9Å; M131-K133 VanDerWaalsContact C-N 3.32Å; M131-K133 PolarHBondContact O-N 3.01Å; M131-V134 PolarHBondContact O-N 3.39Å; M131-V135 HydrophobicContact CG-CG2 4.35Å; M131-V135 WeakPolarHBondContact O-CB 3.47Å; M131-V135 VanDerWaalsContact O-CG2 3.28Å; M131-V135 WeakPolarHBondContact O-CG2 3.34Å; M131-V135 PolarHBondContact O-N 3.31Å; M131-V159 HydrophobicContact CB-CG1 4.17Å; M131-V159 HydrophobicContact CG-CG1 4.06Å; M131-V159 HydrophobicContact CG-CG2 4.38Å; M131-V159 HydrophobicContact SD-CG1 3.95Å; M131-V162 HydrophobicContact CE-CG1 4.33Å; M131-V162 HydrophobicContact SD-CB 4.26Å; M131-V162 HydrophobicContact SD-CG1 4.01Å; M131-F163 HydrophobicContact CE-CD2 3.86Å; M131-F163 HydrophobicContact SD-CB 4.29Å; M131-F163 HydrophobicContact SD-CD2 4.21Å; M131-L166 HydrophobicContact CE-CD1 3.61Å; M131-I174 HydrophobicContact CE-CD1 3.37Å
132L92.6Very high91.4Very high56 Ų5641 Ų4129%0.29323%0.234SC..Hα-helixtrans-60.1-41.7176.3-177.263.6000112.2K128 G129 E130 V135 N136 V159K128-L132 WeakPolarHBondContact O-CB 3.14Å; K128-L132 PolarHBondContact O-N 3.01Å; G129-L132 PolarHBondContact O-N 3.47Å; E130-L132 VanDerWaalsContact C-N 3.29Å; E130-L132 PolarHBondContact O-N 3.48Å; L132-V135 PolarHBondContact O-N 3.48Å; L132-N136 WeakPolarHBondContact O-CB 3.47Å; L132-N136 VanDerWaalsContact O-CG 3.26Å; L132-N136 PolarHBondContact O-N 2.91Å; L132-N136 PolarHBondContact O-ND2 3.22Å; L132-V159 HydrophobicContact CB-CG1 4.31Å; L132-V159 HydrophobicContact CB-CG2 4.27Å; L132-V159 HydrophobicContact CD1-CB 4.44Å; L132-V159 HydrophobicContact CD1-CG2 3.86Å
133K93.4Very high90.6Very high102 Ų10239.5 Ų39.544%0.44322%0.218SC..Hα-helixtrans-63-43.8178.1-174.4170.3176.2-175.40112I120 G129 E130 M131 A137I120-K133 HydrophobicContact CD1-CB 3.9Å; I120-K133 HydrophobicContact CD1-CD 3.74Å; I120-K133 HydrophobicContact CD1-CG 4.01Å; G129-K133 PolarHBondContact O-N 3.01Å; E130-K133 WeakPolarHBondContact O-CB 3Å; E130-K133 PolarHBondContact O-N 3.48Å; E130-K133 VanDerWaalsContact O-N 3.08Å; M131-K133 VanDerWaalsContact C-N 3.32Å; M131-K133 PolarHBondContact O-N 3.01Å; K133-A137 WeakPolarHBondContact O-CB 3.17Å; K133-A137 PolarHBondContact O-N 2.65Å; K133-A137 VanDerWaalsContact O-N 3.07Å
134V91.7Very high89.3Confident0 Ų047 Ų470%024%0.24CC..Hα-helixtrans-66.4-45.5177-179.60000111.4L77 L117 Y118 I120 E130 M131 N136 A137 I138L77-V134 HydrophobicContact CD1-CB 4.33Å; L77-V134 HydrophobicContact CD1-CG2 4Å; L117-V134 HydrophobicContact CD2-CG1 4.2Å; L117-V134 HydrophobicContact CG-CG1 4.26Å; Y118-V134 HydrophobicContact CD1-CB 3.72Å; Y118-V134 HydrophobicContact CD1-CG1 3.89Å; Y118-V134 HydrophobicContact CD1-CG2 3.86Å; Y118-V134 HydrophobicContact CE1-CB 3.69Å; Y118-V134 HydrophobicContact CE1-CG1 3.62Å; Y118-V134 HydrophobicContact CE1-CG2 4.35Å; I120-V134 HydrophobicContact CD1-CG2 4.04Å; I120-V134 HydrophobicContact CG1-CG2 4.32Å; E130-V134 WeakPolarHBondContact O-CG2 3.11Å; E130-V134 PolarHBondContact O-N 2.88Å; M131-V134 PolarHBondContact O-N 3.39Å; V134-N136 PolarHBondContact O-N 3.41Å; V134-A137 PolarHBondContact O-N 2.71Å; V134-I138 HydrophobicContact CG1-CD1 4.05Å; V134-I138 WeakPolarHBondContact O-CG1 3.1Å; V134-I138 PolarHBondContact O-N 2.95Å
135V88.2Confident87.8Confident4 Ų451.7 Ų51.72%0.02426%0.258CS..Hα-helixtrans-61.8-46.5179.5169.80000111Y118 M131 L132 A137 I138 Y139 V159Y118-V135 HydrophobicContact CE1-CG2 4.46Å; M131-V135 HydrophobicContact CG-CG2 4.35Å; M131-V135 WeakPolarHBondContact O-CB 3.47Å; M131-V135 VanDerWaalsContact O-CG2 3.28Å; M131-V135 WeakPolarHBondContact O-CG2 3.34Å; M131-V135 PolarHBondContact O-N 3.31Å; L132-V135 PolarHBondContact O-N 3.48Å; V135-A137 VanDerWaalsContact C-N 3.34Å; V135-A137 PolarHBondContact O-N 3.26Å; V135-I138 PolarHBondContact O-N 3.22Å; V135-Y139 HydrophobicContact CG1-CD2 3.55Å; V135-Y139 HydrophobicContact CG1-CE2 3.39Å; V135-Y139 WeakPolarHBondContact O-CD2 3.17Å; V135-Y139 PolarHBondContact O-N 2.66Å; V135-V159 HydrophobicContact CB-CG2 3.94Å; V135-V159 HydrophobicContact CG1-CG2 4.08Å; V135-V159 HydrophobicContact CG2-CG2 3.92Å
136N89.1Confident86.2Confident50 Ų5048.4 Ų48.427%0.26725%0.245SC..Hα-helixtrans-58.9-45.1175.4-74.8-14.2000111.6L132 V134 I138 Y139 D140 T155L132-N136 WeakPolarHBondContact O-CB 3.47Å; L132-N136 VanDerWaalsContact O-CG 3.26Å; L132-N136 PolarHBondContact O-N 2.91Å; L132-N136 PolarHBondContact O-ND2 3.22Å; V134-N136 PolarHBondContact O-N 3.41Å; N136-I138 VanDerWaalsContact C-N 3.27Å; N136-I138 PolarHBondContact O-N 3.35Å; N136-Y139 PolarHBondContact O-N 3.24Å; N136-Y139 VanDerWaalsContact O-N 3.11Å; N136-D140 VanDerWaalsContact O-CG 3.3Å; N136-D140 PolarHBondContact O-N 3.26Å; N136-T155 WeakPolarHBondContact OD1-CB 3.37Å; N136-T155 WeakPolarHBondContact OD1-CG2 3.24Å; N136-T155 PolarHBondContact OD1-OG1 3.31Å
137A90.2Very high84.4Confident1 Ų157.6 Ų57.61%0.00829%0.288CS..Hα-helixtrans-60.1-35.8178.500000113.1V73 L77 K133 V134 V135 L141V73-A137 HydrophobicContact CB-CB 3.92Å; V73-A137 HydrophobicContact CG1-CB 3.66Å; L77-A137 HydrophobicContact CD1-CB 3.72Å; K133-A137 WeakPolarHBondContact O-CB 3.17Å; K133-A137 PolarHBondContact O-N 2.65Å; K133-A137 VanDerWaalsContact O-N 3.07Å; V134-A137 PolarHBondContact O-N 2.71Å; V135-A137 VanDerWaalsContact C-N 3.34Å; V135-A137 PolarHBondContact O-N 3.26Å; A137-L141 VanDerWaalsContact O-CB 3.28Å; A137-L141 WeakPolarHBondContact O-CB 3.43Å; A137-L141 PolarHBondContact O-N 3.19Å
138I85.3Confident82.7Confident2 Ų259.5 Ų59.51%0.0130%0.301CS..Hα-helixtrans-70.6-41.8175.6-67.4168.7000111.1Y74 V134 V135 N136 D140 L141 L142 L196 I199Y74-I138 HydrophobicContact CD2-CD1 4.45Å; Y74-I138 HydrophobicContact CD2-CG1 3.53Å; Y74-I138 HydrophobicContact CE2-CD1 3.94Å; Y74-I138 HydrophobicContact CE2-CG1 3.42Å; Y74-I138 VanDerWaalsContact CE2-CG1 3.42Å; V134-I138 HydrophobicContact CG1-CD1 4.05Å; V134-I138 WeakPolarHBondContact O-CG1 3.1Å; V134-I138 PolarHBondContact O-N 2.95Å; V135-I138 PolarHBondContact O-N 3.22Å; N136-I138 VanDerWaalsContact C-N 3.27Å; N136-I138 PolarHBondContact O-N 3.35Å; I138-D140 VanDerWaalsContact C-N 3.35Å; I138-L141 WeakPolarHBondContact O-CB 3.43Å; I138-L141 PolarHBondContact O-N 2.98Å; I138-L142 HydrophobicContact CG2-CD1 3.99Å; I138-L142 HydrophobicContact CG2-CG 4.39Å; I138-L142 VanDerWaalsContact O-CG 3.3Å; I138-L142 WeakPolarHBondContact O-CG 3.28Å; I138-L142 PolarHBondContact O-N 3.19Å; I138-L196 HydrophobicContact CB-CD2 4.25Å; I138-L196 HydrophobicContact CD1-CB 3.68Å; I138-L196 HydrophobicContact CD1-CD1 4.49Å; I138-L196 HydrophobicContact CD1-CD2 3.66Å; I138-L196 HydrophobicContact CD1-CG 4.1Å; I138-L196 HydrophobicContact CG2-CD2 3.62Å; I138-I199 HydrophobicContact CG2-CD1 3.49Å; I138-I199 VanDerWaalsContact CG2-CD1 3.49Å
139Y82.6Confident81.1Confident47 Ų4760.1 Ų60.118%0.18432%0.315CS..Hα-helixtrans-62.5-42.9175.8-84.1-64.6000111.6V135 N136 L142 G143 T146 I150 T155V135-Y139 HydrophobicContact CG1-CD2 3.55Å; V135-Y139 HydrophobicContact CG1-CE2 3.39Å; V135-Y139 WeakPolarHBondContact O-CD2 3.17Å; V135-Y139 PolarHBondContact O-N 2.66Å; N136-Y139 PolarHBondContact O-N 3.24Å; N136-Y139 VanDerWaalsContact O-N 3.11Å; Y139-L142 PolarHBondContact O-N 3.31Å; Y139-G143 PolarHBondContact O-N 3.12Å; Y139-T146 HydrophobicContact CD1-CG2 3.91Å; Y139-T146 HydrophobicContact CE1-CG2 4.37Å; Y139-I150 HydrophobicContact CD1-CD1 3.81Å; Y139-I150 HydrophobicContact CD1-CG1 3.52Å; Y139-I150 HydrophobicContact CE1-CG1 4.29Å; Y139-I150 HydrophobicContact CG-CD1 4.12Å; Y139-I150 HydrophobicContact CG-CG1 3.99Å; Y139-I150 WeakPolarHBondContact O-CD1 3.5Å; Y139-T155 HydrophobicContact CD2-CG2 3.45Å; Y139-T155 VanDerWaalsContact CD2-CG2 3.45Å; Y139-T155 HydrophobicContact CE2-CG2 3.72Å; Y139-T155 HydrophobicContact CG-CG2 4.12Å
140D85.3Confident79.6Confident73 Ų7360.7 Ų60.739%0.3931%0.305SS..Hα-helixtrans-61.9-42.6175.1-68.7-24.2000111.7G69 D70 N136 I138 G143G69-D140 CarbonylContact C-O 3.59Å; G69-D140 WeakPolarHBondContact CA-O 3.46Å; D70-D140 HydrophobicContact CB-CB 4.34Å; D70-D140 PolarHBondContact N-O 2.86Å; D70-D140 CarbonylContact O-C 3.52Å; N136-D140 VanDerWaalsContact O-CG 3.3Å; N136-D140 PolarHBondContact O-N 3.26Å; I138-D140 VanDerWaalsContact C-N 3.35Å; D140-G143 PolarHBondContact O-N 3.26Å
141L84.7Confident78.2Confident2 Ų263.4 Ų63.41%0.0132%0.321CS..Hα-helixtrans-61.7-42.3176176.573000113F66 G69 D70 A71 Y74 A137 I138 G143 I199F66-L141 HydrophobicContact CB-CD1 3.67Å; F66-L141 HydrophobicContact CD1-CD1 3.96Å; F66-L141 HydrophobicContact CD1-CG 4.04Å; F66-L141 HydrophobicContact CD2-CD1 3.64Å; F66-L141 HydrophobicContact CD2-CG 4.44Å; F66-L141 HydrophobicContact CE1-CG 4.39Å; F66-L141 HydrophobicContact CE2-CD1 4.26Å; F66-L141 HydrophobicContact CG-CD1 3.47Å; F66-L141 VanDerWaalsContact CG-CD1 3.47Å; F66-L141 HydrophobicContact CG-CG 4.08Å; G69-L141 WeakPolarHBondContact CA-O 3.44Å; D70-L141 WeakPolarHBondContact O-CA 3.46Å; D70-L141 PolarHBondContact O-N 2.98Å; A71-L141 HydrophobicContact CB-CD1 3.32Å; Y74-L141 HydrophobicContact CD1-CD2 3.4Å; Y74-L141 HydrophobicContact CD2-CD2 4.39Å; Y74-L141 HydrophobicContact CE1-CD2 3.8Å; Y74-L141 HydrophobicContact CG-CD2 3.71Å; A137-L141 VanDerWaalsContact O-CB 3.28Å; A137-L141 WeakPolarHBondContact O-CB 3.43Å; A137-L141 PolarHBondContact O-N 3.19Å; I138-L141 WeakPolarHBondContact O-CB 3.43Å; I138-L141 PolarHBondContact O-N 2.98Å; L141-G143 VanDerWaalsContact C-N 3.27Å; L141-I199 HydrophobicContact CD2-CB 4.31Å; L141-I199 HydrophobicContact CD2-CG2 3.44Å; L141-I199 VanDerWaalsContact CD2-CG2 3.44Å; L141-I199 HydrophobicContact CG-CG2 4.38Å
142L80.4Confident77.2Confident55 Ų5571.3 Ų71.329%0.28836%0.358SS..Hα-helixtrans-74.6-22.6177.8-67.1174.4000112I138 Y139 R144 N145 T146 I199I138-L142 HydrophobicContact CG2-CD1 3.99Å; I138-L142 HydrophobicContact CG2-CG 4.39Å; I138-L142 VanDerWaalsContact O-CG 3.3Å; I138-L142 WeakPolarHBondContact O-CG 3.28Å; I138-L142 PolarHBondContact O-N 3.19Å; Y139-L142 PolarHBondContact O-N 3.31Å; L142-R144 PolarHBondContact O-N 3.03Å; L142-N145 WeakPolarHBondContact O-CB 3.41Å; L142-N145 PolarHBondContact O-N 3.48Å; L142-N145 PolarHBondContact O-ND2 3Å; L142-T146 HydrophobicContact CB-CG2 3.53Å; L142-T146 HydrophobicContact CD1-CG2 4.06Å; L142-T146 HydrophobicContact CG-CG2 4.47Å; L142-I199 HydrophobicContact CD1-CD1 4.18Å; L142-I199 HydrophobicContact CD2-CD1 4Å; L142-I199 HydrophobicContact CG-CD1 4.16Å
143G76.8Confident76.3Confident16 Ų1671.9 Ų71.917%0.16537%0.366CS..G310 helixtrans54.7-131.9176.800000112.3Y139 D140 L141 N145 T146Y139-G143 PolarHBondContact O-N 3.12Å; D140-G143 PolarHBondContact O-N 3.26Å; L141-G143 VanDerWaalsContact C-N 3.27Å; G143-N145 PolarHBondContact O-N 3.38Å; G143-N145 VanDerWaalsContact O-N 3.11Å; G143-T146 PolarHBondContact O-OG1 3.34Å
144R65.8Low75.6Confident241 Ų24169.1 Ų69.191%0.90936%0.358SS*.G310 helixtrans-69.1-4.4-177-63.2-177.1-176.1165.32.8114.7L142 T146L142-R144 PolarHBondContact O-N 3.03Å; R144-T146 PolarHBondContact O-N 2.79Å
145N64.9Low75.1Confident131 Ų13169.2 Ų69.270%0.70136%0.359SS*.G310 helixtrans-83.812.6179.9-58.8-47000113.2L142 G143L142-N145 WeakPolarHBondContact O-CB 3.41Å; L142-N145 PolarHBondContact O-N 3.48Å; L142-N145 PolarHBondContact O-ND2 3Å; G143-N145 PolarHBondContact O-N 3.38Å; G143-N145 VanDerWaalsContact O-N 3.11Å
146T63.2Low75Confident18 Ų1870.9 Ų70.911%0.1137%0.373CS..  trans-101.1121.2-17854.10000109.4Y139 L142 G143 R144 P148 I150Y139-T146 HydrophobicContact CD1-CG2 3.91Å; Y139-T146 HydrophobicContact CE1-CG2 4.37Å; L142-T146 HydrophobicContact CB-CG2 3.53Å; L142-T146 HydrophobicContact CD1-CG2 4.06Å; L142-T146 HydrophobicContact CG-CG2 4.47Å; G143-T146 PolarHBondContact O-OG1 3.34Å; R144-T146 PolarHBondContact O-N 2.79Å; T146-P148 CarbonylContact O-C 3.39Å; T146-I150 HydrophobicContact CG2-CD1 4.06Å; T146-I150 HydrophobicContact CG2-CG1 4.48Å; T146-I150 WeakPolarHBondContact OG1-CD1 3.33Å; T146-I150 VanDerWaalsContact OG1-CG1 3.31Å; T146-I150 WeakPolarHBondContact OG1-CG1 3.34Å
147E59.3Low74.9Confident195 Ų19573.5 Ų73.591%0.91139%0.387SS*.SBendtrans-111.8122.7169.5-71.8-170.6167.100108.8
148P62.6Low74.5Confident91 Ų9176.4 Ų76.459%0.59140%0.4SS*.SBendcis-75.5162.5-1.333.2-36000113.1T146 I150T146-P148 CarbonylContact O-C 3.39Å; P148-I150 PolarHBondContact O-N 2.86Å
149P61.8Low74.7Confident105 Ų10576.3 Ų76.368%0.68240%0.4SS*.PPolyproline II helixtrans-55.4135.2176.821.1-32.7000111.7N151P149-N151 PolarHBondContact O-N 3.41Å
150I64.5Low75.1Confident61 Ų6177 Ų7731%0.31341%0.405SS..PPolyproline II helixtrans-64.6132.5-174.4-60148.4000110.4Y139 T146 P148 T155Y139-I150 HydrophobicContact CD1-CD1 3.81Å; Y139-I150 HydrophobicContact CD1-CG1 3.52Å; Y139-I150 HydrophobicContact CE1-CG1 4.29Å; Y139-I150 HydrophobicContact CG-CD1 4.12Å; Y139-I150 HydrophobicContact CG-CG1 3.99Å; Y139-I150 WeakPolarHBondContact O-CD1 3.5Å; T146-I150 HydrophobicContact CG2-CD1 4.06Å; T146-I150 HydrophobicContact CG2-CG1 4.48Å; T146-I150 WeakPolarHBondContact OG1-CD1 3.33Å; T146-I150 VanDerWaalsContact OG1-CG1 3.31Å; T146-I150 WeakPolarHBondContact OG1-CG1 3.34Å; P148-I150 PolarHBondContact O-N 2.86Å; I150-T155 HydrophobicContact CG2-CG2 3.99Å
151N67Low75.2Confident77 Ų7781.8 Ų81.841%0.41242%0.417SS..  trans-136.4158.4157.166.949.9000108.2P149 S153 T154 T155P149-N151 PolarHBondContact O-N 3.41Å; N151-S153 PolarHBondContact O-N 3.08Å; N151-S153 VanDerWaalsContact O-N 3.14Å; N151-S153 WeakPolarHBondContact OD1-CA 3.37Å; N151-S153 WeakPolarHBondContact OD1-CB 3.48Å; N151-S153 PolarHBondContact OD1-N 3.41Å; N151-S153 VanDerWaalsContact OD1-N 3.11Å; N151-S153 PolarHBondContact OD1-OG 2.97Å; N151-T154 WeakPolarHBondContact O-CB 3.4Å; N151-T154 PolarHBondContact O-N 3.11Å; N151-T154 PolarHBondContact OD1-N 2.67Å; N151-T154 PolarHBondContact OD1-OG1 3.09Å; N151-T155 PolarHBondContact O-N 3.08Å
152E70.9Confident75.4Confident170 Ų17082.7 Ų82.779%0.79442%0.423SS*.Hα-helixtrans-55.7-32.5-177.5-66.9179.3174.800112.8T155 A156E152-T155 PolarHBondContact O-OG1 3.33Å; E152-A156 VanDerWaalsContact O-CB 3.28Å; E152-A156 WeakPolarHBondContact O-CB 3.41Å; E152-A156 PolarHBondContact O-N 3.15Å
153S75.4Confident75.9Confident68 Ų6880.7 Ų80.748%0.47641%0.412SS..Hα-helixtrans-69.3-35.6178.378.70000112.3N151 N157N151-S153 PolarHBondContact O-N 3.08Å; N151-S153 VanDerWaalsContact O-N 3.14Å; N151-S153 WeakPolarHBondContact OD1-CA 3.37Å; N151-S153 WeakPolarHBondContact OD1-CB 3.48Å; N151-S153 PolarHBondContact OD1-N 3.41Å; N151-S153 VanDerWaalsContact OD1-N 3.11Å; N151-S153 PolarHBondContact OD1-OG 2.97Å; S153-N157 VanDerWaalsContact O-CB 3.24Å; S153-N157 WeakPolarHBondContact O-CB 3.39Å; S153-N157 PolarHBondContact O-N 3.37Å; S153-N157 PolarHBondContact O-ND2 3.48Å
154T77.1Confident76.6Confident44 Ų4486 Ų8627%0.2743%0.432SS..Hα-helixtrans-66-44177.3-58.20000110.7N151 H158N151-T154 WeakPolarHBondContact O-CB 3.4Å; N151-T154 PolarHBondContact O-N 3.11Å; N151-T154 PolarHBondContact OD1-N 2.67Å; N151-T154 PolarHBondContact OD1-OG1 3.09Å; T154-H158 WeakPolarHBondContact O-CB 3.44Å; T154-H158 PolarHBondContact O-N 2.96Å
155T81.5Confident77.8Confident2 Ų279.4 Ų79.41%0.01241%0.407CS..Hα-helixtrans-71.4-42.9-179.863.10000111.6N136 Y139 I150 N151 E152 N157 H158 V159N136-T155 WeakPolarHBondContact OD1-CB 3.37Å; N136-T155 WeakPolarHBondContact OD1-CG2 3.24Å; N136-T155 PolarHBondContact OD1-OG1 3.31Å; Y139-T155 HydrophobicContact CD2-CG2 3.45Å; Y139-T155 VanDerWaalsContact CD2-CG2 3.45Å; Y139-T155 HydrophobicContact CE2-CG2 3.72Å; Y139-T155 HydrophobicContact CG-CG2 4.12Å; I150-T155 HydrophobicContact CG2-CG2 3.99Å; N151-T155 PolarHBondContact O-N 3.08Å; E152-T155 PolarHBondContact O-OG1 3.33Å; T155-N157 PolarHBondContact O-N 3.17Å; T155-H158 WeakPolarHBondContact O-CB 3.38Å; T155-H158 PolarHBondContact O-N 3.34Å; T155-V159 WeakPolarHBondContact O-CB 3.15Å; T155-V159 VanDerWaalsContact O-CG2 3.24Å; T155-V159 WeakPolarHBondContact O-CG2 3.12Å; T155-V159 PolarHBondContact O-N 2.9Å
156A86.8Confident79.1Confident39 Ų3973.1 Ų73.132%0.32237%0.374SS..Hα-helixtrans-60.8-42.7175.900000112.7E152 V159 E160E152-A156 VanDerWaalsContact O-CB 3.28Å; E152-A156 WeakPolarHBondContact O-CB 3.41Å; E152-A156 PolarHBondContact O-N 3.15Å; A156-V159 PolarHBondContact O-N 3.06Å; A156-E160 WeakPolarHBondContact O-CB 3.28Å; A156-E160 PolarHBondContact O-N 3.31Å
157N85.9Confident80.7Confident105 Ų10573 Ų7356%0.56137%0.372SS*.Hα-helixtrans-67.5-37.1176.2-73.9-31.5000112.3S153 T155 R161S153-N157 VanDerWaalsContact O-CB 3.24Å; S153-N157 WeakPolarHBondContact O-CB 3.39Å; S153-N157 PolarHBondContact O-N 3.37Å; S153-N157 PolarHBondContact O-ND2 3.48Å; T155-N157 PolarHBondContact O-N 3.17Å; N157-R161 WeakPolarHBondContact O-CG 3.45Å; N157-R161 PolarHBondContact O-N 3.03Å
158H83.3Confident82.3Confident62 Ų6267.3 Ų67.329%0.28735%0.348SS..Hα-helixtrans-62-50.3173.9-170.2127.2000110.4T154 T155 E160 R161 V162T154-H158 WeakPolarHBondContact O-CB 3.44Å; T154-H158 PolarHBondContact O-N 2.96Å; T155-H158 WeakPolarHBondContact O-CB 3.38Å; T155-H158 PolarHBondContact O-N 3.34Å; H158-E160 VanDerWaalsContact C-N 3.35Å; H158-E160 PolarHBondContact O-N 3.21Å; H158-R161 PolarHBondContact O-N 3.15Å; H158-V162 WeakPolarHBondContact O-CG2 3.36Å; H158-V162 PolarHBondContact O-N 2.9Å
159V89.2Confident83.9Confident1 Ų167.4 Ų67.41%0.00634%0.343CS..Hα-helixtrans-58.9-46.4179.5168.50000110.5K128 M131 L132 V135 T155 A156 R161 V162 F163K128-V159 HydrophobicContact CG-CG1 3.84Å; M131-V159 HydrophobicContact CB-CG1 4.17Å; M131-V159 HydrophobicContact CG-CG1 4.06Å; M131-V159 HydrophobicContact CG-CG2 4.38Å; M131-V159 HydrophobicContact SD-CG1 3.95Å; L132-V159 HydrophobicContact CB-CG1 4.31Å; L132-V159 HydrophobicContact CB-CG2 4.27Å; L132-V159 HydrophobicContact CD1-CB 4.44Å; L132-V159 HydrophobicContact CD1-CG2 3.86Å; V135-V159 HydrophobicContact CB-CG2 3.94Å; V135-V159 HydrophobicContact CG1-CG2 4.08Å; V135-V159 HydrophobicContact CG2-CG2 3.92Å; T155-V159 WeakPolarHBondContact O-CB 3.15Å; T155-V159 VanDerWaalsContact O-CG2 3.24Å; T155-V159 WeakPolarHBondContact O-CG2 3.12Å; T155-V159 PolarHBondContact O-N 2.9Å; A156-V159 PolarHBondContact O-N 3.06Å; V159-R161 VanDerWaalsContact C-N 3.32Å; V159-R161 PolarHBondContact O-N 2.73Å; V159-V162 PolarHBondContact O-N 2.88Å; V159-F163 WeakPolarHBondContact O-CB 3.48Å; V159-F163 PolarHBondContact O-N 3.27Å
160E91.1Very high85.6Confident62 Ų6270.4 Ų70.429%0.2935%0.348SS..Hα-helixtrans-55.1-48176.9-178.961.5-166.400112.1K128 A156 H158 V162 F163 Q164K128-E160 WeakPolarHBondContact CE-OE2 3.4Å; K128-E160 IonicContact NZ-OE2 2.56Å; K128-E160 PolarHBondContact NZ-OE2 3.26Å; A156-E160 WeakPolarHBondContact O-CB 3.28Å; A156-E160 PolarHBondContact O-N 3.31Å; H158-E160 VanDerWaalsContact C-N 3.35Å; H158-E160 PolarHBondContact O-N 3.21Å; E160-V162 PolarHBondContact O-N 3.21Å; E160-F163 PolarHBondContact O-N 3.27Å; E160-Q164 VanDerWaalsContact O-CG 3.3Å; E160-Q164 WeakPolarHBondContact O-CG 3.44Å; E160-Q164 PolarHBondContact O-N 3.04Å; E160-Q164 PolarHBondContact OE1-NE2 3.24Å
161R87.5Confident87.1Confident173 Ų17371.8 Ų71.865%0.65336%0.356SS*.Hα-helixtrans-64.6-38-179.7-74.7176.554-157.6-9.5113.2N157 H158 V159 R165N157-R161 WeakPolarHBondContact O-CG 3.45Å; N157-R161 PolarHBondContact O-N 3.03Å; H158-R161 PolarHBondContact O-N 3.15Å; V159-R161 VanDerWaalsContact C-N 3.32Å; V159-R161 PolarHBondContact O-N 2.73Å; R161-R165 WeakPolarHBondContact O-CG 3.29Å
162V88Confident88.5Confident20 Ų2070.1 Ų70.112%0.12136%0.358CS..Hα-helixtrans-74.3-42.81791730000110M131 H158 V159 E160 Q164 R165 L166M131-V162 HydrophobicContact CE-CG1 4.33Å; M131-V162 HydrophobicContact SD-CB 4.26Å; M131-V162 HydrophobicContact SD-CG1 4.01Å; H158-V162 WeakPolarHBondContact O-CG2 3.36Å; H158-V162 PolarHBondContact O-N 2.9Å; V159-V162 PolarHBondContact O-N 2.88Å; E160-V162 PolarHBondContact O-N 3.21Å; V162-Q164 PolarHBondContact O-N 3.13Å; V162-R165 PolarHBondContact O-N 3.38Å; V162-L166 HydrophobicContact CG1-CD1 3.68Å; V162-L166 HydrophobicContact CG1-CG 4.33Å; V162-L166 WeakPolarHBondContact O-CG 3.44Å; V162-L166 PolarHBondContact O-N 2.97Å; V162-L166 VanDerWaalsContact O-N 3.16Å
163F92Very high89.8Confident14 Ų1463.8 Ų63.86%0.06133%0.33CS..Hα-helixtrans-58.8-47.8179.1-162.2-85.1000111.5K128 M131 V159 E160 R165 L166 D167 G172 I174K128-F163 HydrophobicContact CB-CD2 3.85Å; K128-F163 HydrophobicContact CB-CE2 3.84Å; K128-F163 HydrophobicContact CB-CG 4.28Å; K128-F163 HydrophobicContact CB-CZ 4.25Å; K128-F163 HydrophobicContact CG-CD2 4.27Å; K128-F163 HydrophobicContact CG-CG 4.41Å; M131-F163 HydrophobicContact CE-CD2 3.86Å; M131-F163 HydrophobicContact SD-CB 4.29Å; M131-F163 HydrophobicContact SD-CD2 4.21Å; V159-F163 WeakPolarHBondContact O-CB 3.48Å; V159-F163 PolarHBondContact O-N 3.27Å; E160-F163 PolarHBondContact O-N 3.27Å; F163-R165 PolarHBondContact O-N 3.08Å; F163-R165 VanDerWaalsContact O-N 3.07Å; F163-L166 PolarHBondContact O-N 3.43Å; F163-D167 HydrophobicContact CD1-CB 3.98Å; F163-D167 HydrophobicContact CE1-CB 3.7Å; F163-D167 WeakPolarHBondContact CE1-OD2 3.38Å; F163-D167 HydrophobicContact CZ-CB 4.39Å; F163-D167 WeakPolarHBondContact O-CB 3.49Å; F163-D167 PolarHBondContact O-N 3Å; F163-G172 WeakPolarHBondContact CZ-O 3.26Å; F163-I174 HydrophobicContact CD2-CD1 3.48Å; F163-I174 VanDerWaalsContact CD2-CD1 3.48Å; F163-I174 HydrophobicContact CD2-CG1 4.27Å; F163-I174 HydrophobicContact CE2-CD1 3.44Å; F163-I174 VanDerWaalsContact CE2-CD1 3.44Å; F163-I174 HydrophobicContact CE2-CG1 3.83Å; F163-I174 HydrophobicContact CG-CD1 4.16Å; F163-I174 HydrophobicContact CZ-CD1 4.1Å; F163-I174 HydrophobicContact CZ-CG1 4Å
164Q91.7Very high90.8Very high128 Ų12860.6 Ų60.660%0.59831%0.308SS*.Hα-helixtrans-58.9-22176.2-73.3176.90.900114.6E160 V162E160-Q164 VanDerWaalsContact O-CG 3.3Å; E160-Q164 WeakPolarHBondContact O-CG 3.44Å; E160-Q164 PolarHBondContact O-N 3.04Å; E160-Q164 PolarHBondContact OE1-NE2 3.24Å; V162-Q164 PolarHBondContact O-N 3.13Å
165R90.3Very high91.8Very high101 Ų10159.4 Ų59.438%0.38130%0.301SS..Hα-helixtrans-91.6-20.5177.7-64.8174.980.6177.120.8112.9R161 V162 F163 L168 D186 T188 V189R161-R165 WeakPolarHBondContact O-CG 3.29Å; V162-R165 PolarHBondContact O-N 3.38Å; F163-R165 PolarHBondContact O-N 3.08Å; F163-R165 VanDerWaalsContact O-N 3.07Å; R165-L168 WeakPolarHBondContact O-CD2 3.28Å; R165-D186 IonicContact CZ-OD1 3.69Å; R165-D186 IonicContact CZ-OD2 3.09Å; R165-D186 IonicContact NE-OD2 3.19Å; R165-D186 PolarHBondContact NE-OD2 3.02Å; R165-D186 IonicContact NH2-OD1 3.01Å; R165-D186 PolarHBondContact NH2-OD1 3.41Å; R165-D186 IonicContact NH2-OD2 2.57Å; R165-D186 PolarHBondContact NH2-OD2 2.68Å; R165-T188 VanDerWaalsContact CZ-OG1 3.24Å; R165-T188 PolarHBondContact NH1-OG1 3.45Å; R165-T188 PolarHBondContact NH2-OG1 3.18Å; R165-V189 HydrophobicContact CB-CG2 4.01Å
166L92.4Very high92.4Very high0 Ų061 Ų610%031%0.307CS..Hα-helixtrans-96.7-37-178.7-72.4175.2000111.8M131 V162 F163 L168 I174 E178 F179 A182 V189M131-L166 HydrophobicContact CE-CD1 3.61Å; V162-L166 HydrophobicContact CG1-CD1 3.68Å; V162-L166 HydrophobicContact CG1-CG 4.33Å; V162-L166 WeakPolarHBondContact O-CG 3.44Å; V162-L166 PolarHBondContact O-N 2.97Å; V162-L166 VanDerWaalsContact O-N 3.16Å; F163-L166 PolarHBondContact O-N 3.43Å; L166-L168 PolarHBondContact O-N 3.2Å; L166-L168 VanDerWaalsContact O-N 3.08Å; L166-I174 HydrophobicContact CB-CD1 3.45Å; L166-I174 VanDerWaalsContact CB-CD1 3.45Å; L166-I174 HydrophobicContact CB-CG1 3.8Å; L166-I174 HydrophobicContact CB-CG2 4.05Å; L166-I174 HydrophobicContact CD1-CD1 3.9Å; L166-I174 HydrophobicContact CG-CD1 4.33Å; L166-E178 WeakPolarHBondContact O-CB 3.26Å; L166-F179 HydrophobicContact CD1-CD2 4.42Å; L166-F179 HydrophobicContact CD2-CD2 4.25Å; L166-A182 HydrophobicContact CD2-CB 3.56Å; L166-V189 HydrophobicContact CD2-CG1 3.52Å; L166-V189 HydrophobicContact CG-CG1 4.11Å
167D95.5Very high92.8Very high14 Ų1465.3 Ų65.38%0.07532%0.321CS..  trans-78.486.6175.4-179.72.3000109.1F163 N169 Q170 D171 G172 I174F163-D167 HydrophobicContact CD1-CB 3.98Å; F163-D167 HydrophobicContact CE1-CB 3.7Å; F163-D167 WeakPolarHBondContact CE1-OD2 3.38Å; F163-D167 HydrophobicContact CZ-CB 4.39Å; F163-D167 WeakPolarHBondContact O-CB 3.49Å; F163-D167 PolarHBondContact O-N 3Å; D167-N169 PolarHBondContact OD1-OD1 2.96Å; D167-Q170 WeakPolarHBondContact OD1-CA 3.48Å; D167-Q170 PolarHBondContact OD1-N 3.1Å; D167-Q170 WeakPolarHBondContact OD2-CA 3.27Å; D167-D171 PolarHBondContact OD1-N 3.15Å; D167-G172 WeakPolarHBondContact OD2-CA 3.43Å; D167-G172 PolarHBondContact OD2-N 3.04Å; D167-I174 HydrophobicContact CB-CG1 4.13Å
168L94.6Very high93.3Very high76 Ų7660.9 Ų60.940%0.39830%0.297SS..SBendtrans-77-32-170.6-59.7-177.5000111.7R165 L166 E178 Q181R165-L168 WeakPolarHBondContact O-CD2 3.28Å; L166-L168 PolarHBondContact O-N 3.2Å; L166-L168 VanDerWaalsContact O-N 3.08Å; L168-E178 HydrophobicContact CB-CG 4.15Å; L168-E178 HydrophobicContact CD1-CB 4.33Å; L168-E178 HydrophobicContact CD1-CG 4.26Å; L168-E178 HydrophobicContact CG-CB 4.28Å; L168-E178 HydrophobicContact CG-CG 4.2Å; L168-E178 PolarHBondContact N-OE1 3.09Å; L168-Q181 HydrophobicContact CD1-CB 3.92Å; L168-Q181 VanDerWaalsContact CD1-CD 3.45Å; L168-Q181 HydrophobicContact CD1-CG 3.65Å
169N96Very high93.8Very high93 Ų9358.1 Ų58.150%0.49728%0.284SS..SBendtrans-92.5-10-179.575.811.2000113.3D167 D171 E178D167-N169 PolarHBondContact OD1-OD1 2.96Å; N169-D171 PolarHBondContact ND2-OD2 3.5Å; N169-D171 WeakPolarHBondContact OD1-CB 3.46Å; N169-D171 PolarHBondContact OD1-N 3.3Å; N169-D171 PolarHBondContact OD1-OD1 3.02Å; N169-D171 PolarHBondContact OD1-OD2 3.15Å; N169-E178 PolarHBondContact N-OE1 2.88Å; N169-E178 VanDerWaalsContact N-OE1 3.09Å; N169-E178 PolarHBondContact OD1-OE1 2.84Å
170Q95.9Very high93.9Very high169 Ų16959.9 Ų59.979%0.7929%0.293SS*.  trans62.733.9-179-55.7179.89.700114D167 G172D167-Q170 WeakPolarHBondContact OD1-CA 3.48Å; D167-Q170 PolarHBondContact OD1-N 3.1Å; D167-Q170 WeakPolarHBondContact OD2-CA 3.27Å; Q170-G172 VanDerWaalsContact C-N 3.3Å
171D97.3Very high94Very high90 Ų9061.7 Ų61.748%0.48130%0.302SS..SBendtrans-84.7-5.4176.67313.6000113.3D167 N169 V173D167-D171 PolarHBondContact OD1-N 3.15Å; N169-D171 PolarHBondContact ND2-OD2 3.5Å; N169-D171 WeakPolarHBondContact OD1-CB 3.46Å; N169-D171 PolarHBondContact OD1-N 3.3Å; N169-D171 PolarHBondContact OD1-OD1 3.02Å; N169-D171 PolarHBondContact OD1-OD2 3.15Å; D171-V173 WeakPolarHBondContact OD1-CG2 3.38Å; D171-V173 PolarHBondContact OD1-N 2.97Å; D171-V173 VanDerWaalsContact OD1-O 3.07Å
172G96.6Very high94.2Very high42 Ų4253.7 Ų53.743%0.43327%0.273SS..SBendtrans90.25.2177.400000114.4F163 D167 Q170F163-G172 WeakPolarHBondContact CZ-O 3.26Å; D167-G172 WeakPolarHBondContact OD2-CA 3.43Å; D167-G172 PolarHBondContact OD2-N 3.04Å; Q170-G172 VanDerWaalsContact C-N 3.3Å
173V97.7Very high94.1Very high37 Ų3753 Ų5322%0.22427%0.269CS..EExtended strand (participates in β ladder)trans-132.4161.5170.9-65.30000110.7F125 T127 D171F125-V173 HydrophobicContact CB-CB 4.09Å; F125-V173 HydrophobicContact CB-CG2 4.35Å; F125-V173 HydrophobicContact CD1-CB 4.26Å; F125-V173 HydrophobicContact CD1-CG2 3.65Å; F125-V173 HydrophobicContact CE1-CG2 4.32Å; F125-V173 HydrophobicContact CG-CG2 4.23Å; T127-V173 HydrophobicContact CG2-CG1 4.15Å; D171-V173 WeakPolarHBondContact OD1-CG2 3.38Å; D171-V173 PolarHBondContact OD1-N 2.97Å; D171-V173 VanDerWaalsContact OD1-O 3.07Å
174I96.9Very high93.8Very high1 Ų157 Ų571%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-113.9113.8176.1-60156.4000108.3F125 V126 M131 F163 L166 D167 E178 F179F125-I174 CarbonylContact C-O 3.6Å; F125-I174 WeakPolarHBondContact CA-O 3.41Å; V126-I174 HydrophobicContact CB-CB 4.22Å; V126-I174 PolarHBondContact N-O 2.86Å; V126-I174 PolarHBondContact O-N 3.49Å; M131-I174 HydrophobicContact CE-CD1 3.37Å; F163-I174 HydrophobicContact CD2-CD1 3.48Å; F163-I174 VanDerWaalsContact CD2-CD1 3.48Å; F163-I174 HydrophobicContact CD2-CG1 4.27Å; F163-I174 HydrophobicContact CE2-CD1 3.44Å; F163-I174 VanDerWaalsContact CE2-CD1 3.44Å; F163-I174 HydrophobicContact CE2-CG1 3.83Å; F163-I174 HydrophobicContact CG-CD1 4.16Å; F163-I174 HydrophobicContact CZ-CD1 4.1Å; F163-I174 HydrophobicContact CZ-CG1 4Å; L166-I174 HydrophobicContact CB-CD1 3.45Å; L166-I174 VanDerWaalsContact CB-CD1 3.45Å; L166-I174 HydrophobicContact CB-CG1 3.8Å; L166-I174 HydrophobicContact CB-CG2 4.05Å; L166-I174 HydrophobicContact CD1-CD1 3.9Å; L166-I174 HydrophobicContact CG-CD1 4.33Å; D167-I174 HydrophobicContact CB-CG1 4.13Å; I174-E178 HydrophobicContact CG2-CB 4.32Å; I174-F179 HydrophobicContact CG2-CB 4.06Å
175S97.4Very high93.5Very high19 Ų1960.1 Ų60.113%0.13330%0.302CS..EExtended strand (participates in β ladder)trans-74162.4171.262.10000112.2E177 E178 F179S175-E177 VanDerWaalsContact C-N 3.27Å; S175-E177 PolarHBondContact O-N 3.43Å; S175-E178 WeakPolarHBondContact CB-OE2 3.3Å; S175-E178 PolarHBondContact N-OE2 3.22Å; S175-E178 PolarHBondContact O-N 2.88Å; S175-E178 WeakPolarHBondContact OG-CB 3.48Å; S175-E178 WeakPolarHBondContact OG-CG 3.43Å; S175-E178 PolarHBondContact OG-N 3.45Å; S175-E178 PolarHBondContact OG-OE2 3.18Å; S175-F179 WeakPolarHBondContact O-CB 3.37Å; S175-F179 PolarHBondContact O-N 2.97Å
176Y95Very high93.2Very high34 Ų3457.3 Ų57.313%0.13330%0.295CS..Hα-helixtrans-61-37.9174.9-179.8-117.3000112.2R112 F115 F179 L180R112-Y176 HydrophobicContact CB-CE2 4.27Å; R112-Y176 HydrophobicContact CG-CE2 4.39Å; R112-Y176 PolarHBondContact NH2-OH 2.93Å; F115-Y176 HydrophobicContact CB-CD2 3.91Å; F115-Y176 HydrophobicContact CB-CE2 4.2Å; F115-Y176 AromaticContact CD1-CD2 3.99Å; F115-Y176 HydrophobicContact CD1-CD2 3.99Å; F115-Y176 HydrophobicContact CD2-CD2 4.02Å; F115-Y176 AromaticContact CG-CD2 3.68Å; F115-Y176 HydrophobicContact CG-CD2 3.68Å; F115-Y176 HydrophobicContact CG-CE2 4.46Å; Y176-F179 PolarHBondContact O-N 3.19Å; Y176-L180 HydrophobicContact CD1-CD1 4Å; Y176-L180 HydrophobicContact CD1-CG 4.43Å; Y176-L180 HydrophobicContact CD2-CG 4.32Å; Y176-L180 HydrophobicContact CE1-CD1 3.37Å; Y176-L180 HydrophobicContact CE1-CG 3.99Å; Y176-L180 HydrophobicContact CE2-CD1 4.14Å; Y176-L180 HydrophobicContact CE2-CD2 4.01Å; Y176-L180 HydrophobicContact CE2-CG 3.84Å; Y176-L180 VanDerWaalsContact CZ-CD1 3.45Å; Y176-L180 WeakPolarHBondContact O-CB 3.4Å; Y176-L180 WeakPolarHBondContact O-CG 3.46Å; Y176-L180 PolarHBondContact O-N 3.33Å
177E95.4Very high92.5Very high130 Ų13062.9 Ų62.961%0.60732%0.321SS*.Hα-helixtrans-61.9-45.6176.6-71.467.9-151.700111.5S175 L180 Q181S175-E177 VanDerWaalsContact C-N 3.27Å; S175-E177 PolarHBondContact O-N 3.43Å; E177-L180 PolarHBondContact O-N 3.13Å; E177-Q181 WeakPolarHBondContact O-CB 3.45Å; E177-Q181 PolarHBondContact O-N 3.29Å
178E95.5Very high91.7Very high13 Ų1365.7 Ų65.76%0.06134%0.339CS..Hα-helixtrans-64.9-42.8176-73.5170.5129.600112L166 L168 N169 I174 S175 L180 Q181 A182L166-E178 WeakPolarHBondContact O-CB 3.26Å; L168-E178 HydrophobicContact CB-CG 4.15Å; L168-E178 HydrophobicContact CD1-CB 4.33Å; L168-E178 HydrophobicContact CD1-CG 4.26Å; L168-E178 HydrophobicContact CG-CB 4.28Å; L168-E178 HydrophobicContact CG-CG 4.2Å; L168-E178 PolarHBondContact N-OE1 3.09Å; N169-E178 PolarHBondContact N-OE1 2.88Å; N169-E178 VanDerWaalsContact N-OE1 3.09Å; N169-E178 PolarHBondContact OD1-OE1 2.84Å; I174-E178 HydrophobicContact CG2-CB 4.32Å; S175-E178 WeakPolarHBondContact CB-OE2 3.3Å; S175-E178 PolarHBondContact N-OE2 3.22Å; S175-E178 PolarHBondContact O-N 2.88Å; S175-E178 WeakPolarHBondContact OG-CB 3.48Å; S175-E178 WeakPolarHBondContact OG-CG 3.43Å; S175-E178 PolarHBondContact OG-N 3.45Å; S175-E178 PolarHBondContact OG-OE2 3.18Å; E178-L180 PolarHBondContact O-N 3.11Å; E178-Q181 PolarHBondContact O-N 3.06Å; E178-A182 VanDerWaalsContact O-CB 3.28Å; E178-A182 WeakPolarHBondContact O-CB 3.35Å; E178-A182 PolarHBondContact O-N 3.37Å
179F93.2Very high90.8Very high3 Ų362.2 Ų62.21%0.01332%0.321CS..Hα-helixtrans-57.9-48.2176-174.4-92.4000111.7L111 A114 F115 L166 I174 S175 Y176 C183 L193L111-F179 HydrophobicContact CB-CE1 4.25Å; L111-F179 HydrophobicContact CD2-CE1 4Å; L111-F179 WeakPolarHBondContact O-CE1 3.09Å; A114-F179 HydrophobicContact CB-CE1 4.42Å; A114-F179 HydrophobicContact CB-CZ 4.11Å; F115-F179 HydrophobicContact CB-CD1 4.2Å; F115-F179 HydrophobicContact CB-CE1 4.23Å; F115-F179 HydrophobicContact CD2-CB 3.7Å; F115-F179 HydrophobicContact CD2-CD1 4.08Å; F115-F179 HydrophobicContact CD2-CD2 4.02Å; F115-F179 AromaticContact CD2-CG 3.68Å; F115-F179 HydrophobicContact CD2-CG 3.68Å; F115-F179 HydrophobicContact CE2-CB 4.04Å; F115-F179 HydrophobicContact CE2-CG 4.44Å; L166-F179 HydrophobicContact CD1-CD2 4.42Å; L166-F179 HydrophobicContact CD2-CD2 4.25Å; I174-F179 HydrophobicContact CG2-CB 4.06Å; S175-F179 WeakPolarHBondContact O-CB 3.37Å; S175-F179 PolarHBondContact O-N 2.97Å; Y176-F179 PolarHBondContact O-N 3.19Å; F179-C183 WeakPolarHBondContact O-CB 3.19Å; F179-C183 PolarHBondContact O-N 3.37Å; F179-C183 PolarHBondContact O-SG 3.45Å; F179-L193 HydrophobicContact CD2-CD1 4.43Å; F179-L193 HydrophobicContact CE2-CD1 3.54Å; F179-L193 HydrophobicContact CE2-CD2 4.13Å; F179-L193 HydrophobicContact CE2-CG 4.47Å; F179-L193 HydrophobicContact CZ-CD1 3.63Å; F179-L193 HydrophobicContact CZ-CD2 4.41Å
180L91.8Very high89.8Confident39 Ų3958.2 Ų58.220%0.20430%0.3CS..Hα-helixtrans-63.7-45175.9-75.9-175.2000111.9L111 Y176 E177 E178 C183 T184L111-L180 HydrophobicContact CB-CD2 3.92Å; L111-L180 HydrophobicContact CD1-CD2 3.91Å; Y176-L180 HydrophobicContact CD1-CD1 4Å; Y176-L180 HydrophobicContact CD1-CG 4.43Å; Y176-L180 HydrophobicContact CD2-CG 4.32Å; Y176-L180 HydrophobicContact CE1-CD1 3.37Å; Y176-L180 HydrophobicContact CE1-CG 3.99Å; Y176-L180 HydrophobicContact CE2-CD1 4.14Å; Y176-L180 HydrophobicContact CE2-CD2 4.01Å; Y176-L180 HydrophobicContact CE2-CG 3.84Å; Y176-L180 VanDerWaalsContact CZ-CD1 3.45Å; Y176-L180 WeakPolarHBondContact O-CB 3.4Å; Y176-L180 WeakPolarHBondContact O-CG 3.46Å; Y176-L180 PolarHBondContact O-N 3.33Å; E177-L180 PolarHBondContact O-N 3.13Å; E178-L180 PolarHBondContact O-N 3.11Å; L180-C183 PolarHBondContact O-N 2.97Å; L180-T184 WeakPolarHBondContact O-CB 3.44Å; L180-T184 PolarHBondContact O-N 2.74Å; L180-T184 PolarHBondContact O-OG1 2.69Å
181Q92.7Very high88.7Confident99 Ų9953.5 Ų53.546%0.46328%0.28SS..Hα-helixtrans-59.9-51.2-179.8179.7169.7-20.900110.6L168 E177 E178 T184 Y185L168-Q181 HydrophobicContact CD1-CB 3.92Å; L168-Q181 VanDerWaalsContact CD1-CD 3.45Å; L168-Q181 HydrophobicContact CD1-CG 3.65Å; E177-Q181 WeakPolarHBondContact O-CB 3.45Å; E177-Q181 PolarHBondContact O-N 3.29Å; E178-Q181 PolarHBondContact O-N 3.06Å; Q181-T184 PolarHBondContact O-N 3.33Å; Q181-T184 VanDerWaalsContact O-N 3.16Å; Q181-Y185 HydrophobicContact CG-CD2 3.68Å; Q181-Y185 HydrophobicContact CG-CE2 3.72Å; Q181-Y185 WeakPolarHBondContact O-CD2 3.35Å; Q181-Y185 PolarHBondContact O-N 2.87Å
182A91.5Very high87.2Confident6 Ų650.7 Ų50.75%0.0527%0.269CS..Hα-helixtrans-62.3-44.6179.200000112L166 E178 T184 Y185 D186L166-A182 HydrophobicContact CD2-CB 3.56Å; E178-A182 VanDerWaalsContact O-CB 3.28Å; E178-A182 WeakPolarHBondContact O-CB 3.35Å; E178-A182 PolarHBondContact O-N 3.37Å; A182-T184 PolarHBondContact O-N 3.19Å; A182-Y185 PolarHBondContact O-N 3.45Å; A182-D186 WeakPolarHBondContact O-CA 3.17Å; A182-D186 VanDerWaalsContact O-CB 3.27Å; A182-D186 WeakPolarHBondContact O-CB 3.34Å; A182-D186 PolarHBondContact O-N 3.29Å
183C87.5Confident85.9Confident6 Ų648.9 Ų48.94%0.04125%0.249CC..Hα-helixtrans-64-27.9176.1-67.40000113.1L111 F179 L180 C190 L193L111-C183 HydrophobicContact CD1-CB 4.01Å; L111-C183 HydrophobicContact CD2-CB 3.91Å; F179-C183 WeakPolarHBondContact O-CB 3.19Å; F179-C183 PolarHBondContact O-N 3.37Å; F179-C183 PolarHBondContact O-SG 3.45Å; L180-C183 PolarHBondContact O-N 2.97Å; C183-C190 HydrophobicContact CB-CB 4.23Å; C183-L193 WeakPolarHBondContact SG-CD1 3.33Å
184T85.3Confident84.4Confident98 Ų9849.8 Ų49.860%0.60125%0.253SS*.Hα-helixtrans-77.1-39.3178.5-58.70000112.1L180 Q181 A182L180-T184 WeakPolarHBondContact O-CB 3.44Å; L180-T184 PolarHBondContact O-N 2.74Å; L180-T184 PolarHBondContact O-OG1 2.69Å; Q181-T184 PolarHBondContact O-N 3.33Å; Q181-T184 VanDerWaalsContact O-N 3.16Å; A182-T184 PolarHBondContact O-N 3.19Å
185Y85.5Confident82.8Confident193 Ų19357.2 Ų57.276%0.75729%0.285SS*.Hα-helixtrans-91.5-20.1-176.7-69.7-65.5000113.8Q181 A182Q181-Y185 HydrophobicContact CG-CD2 3.68Å; Q181-Y185 HydrophobicContact CG-CE2 3.72Å; Q181-Y185 WeakPolarHBondContact O-CD2 3.35Å; Q181-Y185 PolarHBondContact O-N 2.87Å; A182-Y185 PolarHBondContact O-N 3.45Å
186D82.8Confident80.9Confident41 Ų4157.7 Ų57.722%0.21929%0.286CS..  trans-126.791.4-174-162.4-36000111.3R165 A182 T188 V189 C190R165-D186 IonicContact CZ-OD1 3.69Å; R165-D186 IonicContact CZ-OD2 3.09Å; R165-D186 IonicContact NE-OD2 3.19Å; R165-D186 PolarHBondContact NE-OD2 3.02Å; R165-D186 IonicContact NH2-OD1 3.01Å; R165-D186 PolarHBondContact NH2-OD1 3.41Å; R165-D186 IonicContact NH2-OD2 2.57Å; R165-D186 PolarHBondContact NH2-OD2 2.68Å; A182-D186 WeakPolarHBondContact O-CA 3.17Å; A182-D186 VanDerWaalsContact O-CB 3.27Å; A182-D186 WeakPolarHBondContact O-CB 3.34Å; A182-D186 PolarHBondContact O-N 3.29Å; D186-T188 PolarHBondContact O-N 2.82Å; D186-T188 VanDerWaalsContact O-N 3.1Å; D186-T188 WeakPolarHBondContact OD1-CB 3.4Å; D186-T188 PolarHBondContact OD1-N 2.76Å; D186-T188 VanDerWaalsContact OD1-N 3.09Å; D186-T188 PolarHBondContact OD1-OG1 2.87Å; D186-V189 HydrophobicContact CB-CB 4.09Å; D186-V189 HydrophobicContact CB-CG2 3.91Å; D186-V189 PolarHBondContact O-N 3.39Å; D186-V189 PolarHBondContact OD1-N 2.88Å; D186-C190 PolarHBondContact O-N 2.78Å
187Q79.6Confident79.1Confident117 Ų11756.9 Ų56.955%0.54729%0.285SS..Hα-helixtrans-56.7-30.2179.1-1686249.400111.8C190 D191Q187-C190 PolarHBondContact O-N 2.71Å; Q187-D191 PolarHBondContact NE2-OD1 2.96Å; Q187-D191 VanDerWaalsContact O-CB 3.3Å; Q187-D191 WeakPolarHBondContact O-CB 3.47Å; Q187-D191 PolarHBondContact O-N 3.15Å
188T78.4Confident77.2Confident74 Ų7455.1 Ų55.145%0.45428%0.283SS..Hα-helixtrans-72.6-31.4-179.970.50000112.7R165 D186 A192R165-T188 VanDerWaalsContact CZ-OG1 3.24Å; R165-T188 PolarHBondContact NH1-OG1 3.45Å; R165-T188 PolarHBondContact NH2-OG1 3.18Å; D186-T188 PolarHBondContact O-N 2.82Å; D186-T188 VanDerWaalsContact O-N 3.1Å; D186-T188 WeakPolarHBondContact OD1-CB 3.4Å; D186-T188 PolarHBondContact OD1-N 2.76Å; D186-T188 VanDerWaalsContact OD1-N 3.09Å; D186-T188 PolarHBondContact OD1-OG1 2.87Å; T188-A192 VanDerWaalsContact O-CB 3.3Å; T188-A192 WeakPolarHBondContact O-CB 3.08Å; T188-A192 PolarHBondContact O-N 2.7Å
189V74.9Confident75.4Confident3 Ų355.7 Ų55.72%0.01829%0.286CS..Hα-helixtrans-70.6-45171.8174.60000109.3R165 L166 D186 D191 A192 L193R165-V189 HydrophobicContact CB-CG2 4.01Å; L166-V189 HydrophobicContact CD2-CG1 3.52Å; L166-V189 HydrophobicContact CG-CG1 4.11Å; D186-V189 HydrophobicContact CB-CB 4.09Å; D186-V189 HydrophobicContact CB-CG2 3.91Å; D186-V189 PolarHBondContact O-N 3.39Å; D186-V189 PolarHBondContact OD1-N 2.88Å; V189-D191 PolarHBondContact O-N 2.76Å; V189-A192 PolarHBondContact O-N 3.12Å; V189-L193 HydrophobicContact CG1-CD1 3.87Å; V189-L193 VanDerWaalsContact O-CG 3.31Å; V189-L193 WeakPolarHBondContact O-CG 3.42Å; V189-L193 PolarHBondContact O-N 3.36Å
190C74.3Confident73.4Confident9 Ų959.9 Ų59.96%0.06131%0.308CS..Hα-helixtrans-59.5-45.7175.7-167.30000111.7C183 D186 Q187 A192 L193 D194C183-C190 HydrophobicContact CB-CB 4.23Å; D186-C190 PolarHBondContact O-N 2.78Å; Q187-C190 PolarHBondContact O-N 2.71Å; C190-A192 PolarHBondContact O-N 2.8Å; C190-L193 PolarHBondContact O-N 3.23Å; C190-D194 VanDerWaalsContact O-CB 3.25Å; C190-D194 WeakPolarHBondContact O-CB 3.39Å; C190-D194 PolarHBondContact O-N 2.87Å
191D72.7Confident72.5Confident69 Ų6961 Ų6137%0.36931%0.314SS..Hα-helixtrans-66.7-36.7179.7-68.6-12000112Q187 V189 K195Q187-D191 PolarHBondContact NE2-OD1 2.96Å; Q187-D191 VanDerWaalsContact O-CB 3.3Å; Q187-D191 WeakPolarHBondContact O-CB 3.47Å; Q187-D191 PolarHBondContact O-N 3.15Å; V189-D191 PolarHBondContact O-N 2.76Å; D191-K195 WeakPolarHBondContact O-CB 3.44Å; D191-K195 VanDerWaalsContact O-CG 3.28Å; D191-K195 WeakPolarHBondContact O-CG 3.31Å; D191-K195 PolarHBondContact O-N 2.93Å
192A66.1Low71.5Confident31 Ų3158.9 Ų58.926%0.25631%0.306SS..Hα-helixtrans-63.4-44.5174.800000110.6T188 V189 C190 L196T188-A192 VanDerWaalsContact O-CB 3.3Å; T188-A192 WeakPolarHBondContact O-CB 3.08Å; T188-A192 PolarHBondContact O-N 2.7Å; V189-A192 PolarHBondContact O-N 3.12Å; C190-A192 PolarHBondContact O-N 2.8Å; A192-L196 WeakPolarHBondContact O-CD1 3.38Å; A192-L196 WeakPolarHBondContact O-CG 3.46Å; A192-L196 PolarHBondContact O-N 3.24Å
193L69.4Low70.3Confident4 Ų461.9 Ų61.92%0.02132%0.32CS..Hα-helixtrans-69.8-39.7176.6-66.3165.6000111.8Y118 F179 C183 V189 C190 K195 L196 T197Y118-L193 HydrophobicContact CD2-CD2 4.38Å; Y118-L193 HydrophobicContact CE2-CD2 3.48Å; Y118-L193 VanDerWaalsContact CE2-CD2 3.48Å; F179-L193 HydrophobicContact CD2-CD1 4.43Å; F179-L193 HydrophobicContact CE2-CD1 3.54Å; F179-L193 HydrophobicContact CE2-CD2 4.13Å; F179-L193 HydrophobicContact CE2-CG 4.47Å; F179-L193 HydrophobicContact CZ-CD1 3.63Å; F179-L193 HydrophobicContact CZ-CD2 4.41Å; C183-L193 WeakPolarHBondContact SG-CD1 3.33Å; V189-L193 HydrophobicContact CG1-CD1 3.87Å; V189-L193 VanDerWaalsContact O-CG 3.31Å; V189-L193 WeakPolarHBondContact O-CG 3.42Å; V189-L193 PolarHBondContact O-N 3.36Å; C190-L193 PolarHBondContact O-N 3.23Å; L193-K195 PolarHBondContact O-N 2.81Å; L193-L196 WeakPolarHBondContact O-CB 3.45Å; L193-L196 PolarHBondContact O-N 3.39Å; L193-L196 VanDerWaalsContact O-N 3.09Å; L193-T197 WeakPolarHBondContact O-CG2 3.26Å; L193-T197 PolarHBondContact O-N 2.68Å; L193-T197 PolarHBondContact O-OG1 3.12Å
194D67.5Low69.3Low56 Ų5665.2 Ų65.230%0.29934%0.337SS..Hα-helixtrans-64.1-43.4-179-166.156.4000111.2C190 L196 T197 T198C190-D194 VanDerWaalsContact O-CB 3.25Å; C190-D194 WeakPolarHBondContact O-CB 3.39Å; C190-D194 PolarHBondContact O-N 2.87Å; D194-L196 PolarHBondContact O-N 2.91Å; D194-T197 WeakPolarHBondContact CA-OG1 3.48Å; D194-T197 CarbonylContact O-C 3.6Å; D194-T197 PolarHBondContact O-N 2.86Å; D194-T197 VanDerWaalsContact O-N 3.08Å; D194-T197 PolarHBondContact O-OG1 3.36Å; D194-T198 WeakPolarHBondContact O-CB 3.39Å; D194-T198 PolarHBondContact O-N 2.77Å; D194-T198 PolarHBondContact O-OG1 2.99Å
195K63.1Low68.3Low157 Ų15763.1 Ų63.168%0.68332%0.32SS*.Hα-helixtrans-57.4-36.6172.8-76.3176.9-175.7-179.70112.5D191 L193D191-K195 WeakPolarHBondContact O-CB 3.44Å; D191-K195 VanDerWaalsContact O-CG 3.28Å; D191-K195 WeakPolarHBondContact O-CG 3.31Å; D191-K195 PolarHBondContact O-N 2.93Å; L193-K195 PolarHBondContact O-N 2.81Å
196L56.4Low67.2Low30 Ų3054.5 Ų54.516%0.15729%0.291CS..Hα-helixtrans-73.1-33.8178.6-67.1173.4000111.5Y118 I138 A192 L193 D194Y118-L196 WeakPolarHBondContact OH-CD1 3.49Å; I138-L196 HydrophobicContact CB-CD2 4.25Å; I138-L196 HydrophobicContact CD1-CB 3.68Å; I138-L196 HydrophobicContact CD1-CD1 4.49Å; I138-L196 HydrophobicContact CD1-CD2 3.66Å; I138-L196 HydrophobicContact CD1-CG 4.1Å; I138-L196 HydrophobicContact CG2-CD2 3.62Å; A192-L196 WeakPolarHBondContact O-CD1 3.38Å; A192-L196 WeakPolarHBondContact O-CG 3.46Å; A192-L196 PolarHBondContact O-N 3.24Å; L193-L196 WeakPolarHBondContact O-CB 3.45Å; L193-L196 PolarHBondContact O-N 3.39Å; L193-L196 VanDerWaalsContact O-N 3.09Å; D194-L196 PolarHBondContact O-N 2.91Å
197T57.2Low66.1Low17 Ų1755.4 Ų55.410%0.10430%0.296CS..Hα-helixtrans-82-17.617763.10000114.6W113 A114 L193 D194 I199W113-T197 HydrophobicContact CE3-CG2 4.23Å; W113-T197 HydrophobicContact CZ3-CG2 3.76Å; A114-T197 HydrophobicContact CB-CG2 3.61Å; L193-T197 WeakPolarHBondContact O-CG2 3.26Å; L193-T197 PolarHBondContact O-N 2.68Å; L193-T197 PolarHBondContact O-OG1 3.12Å; D194-T197 WeakPolarHBondContact CA-OG1 3.48Å; D194-T197 CarbonylContact O-C 3.6Å; D194-T197 PolarHBondContact O-N 2.86Å; D194-T197 VanDerWaalsContact O-N 3.08Å; D194-T197 PolarHBondContact O-OG1 3.36Å; T197-I199 PolarHBondContact O-N 3.44Å
198T56.7Low65.1Low92 Ų9250.7 Ų50.756%0.56428%0.277SS*.THydrogen-bonded Turntrans-71.5-8-177.7-59.80000112.7D194 L200D194-T198 WeakPolarHBondContact O-CB 3.39Å; D194-T198 PolarHBondContact O-N 2.77Å; D194-T198 PolarHBondContact O-OG1 2.99Å; T198-L200 PolarHBondContact O-N 3.19Å
199I58.1Low63.9Low25 Ų2548.8 Ų48.813%0.12826%0.262CS..THydrogen-bonded Turntrans-81.421.9-178-44.6170.7000112F66 I138 L141 L142 T197F66-I199 HydrophobicContact CE1-CG2 3.52Å; F66-I199 HydrophobicContact CE2-CG2 4.22Å; F66-I199 HydrophobicContact CZ-CG2 3.29Å; I138-I199 HydrophobicContact CG2-CD1 3.49Å; I138-I199 VanDerWaalsContact CG2-CD1 3.49Å; L141-I199 HydrophobicContact CD2-CB 4.31Å; L141-I199 HydrophobicContact CD2-CG2 3.44Å; L141-I199 VanDerWaalsContact CD2-CG2 3.44Å; L141-I199 HydrophobicContact CG-CG2 4.38Å; L142-I199 HydrophobicContact CD1-CD1 4.18Å; L142-I199 HydrophobicContact CD2-CD1 4Å; L142-I199 HydrophobicContact CG-CD1 4.16Å; T197-I199 PolarHBondContact O-N 3.44Å
200L51Low62.9Low92 Ų9252.9 Ų52.948%0.48228%0.284SS..  trans-109.10173.7-58.5170.3000110.5Y62 Y74 V78 L102 W113 T198Y62-L200 WeakPolarHBondContact OH-CD2 3.44Å; Y74-L200 HydrophobicContact CE1-CD2 4.25Å; V78-L200 HydrophobicContact CB-CD2 4.4Å; V78-L200 HydrophobicContact CG1-CD2 3.73Å; V78-L200 HydrophobicContact CG2-CD2 3.71Å; L102-L200 HydrophobicContact CD1-CD1 3.37Å; L102-L200 HydrophobicContact CD2-CD1 3.65Å; L102-L200 HydrophobicContact CG-CD1 4.02Å; W113-L200 HydrophobicContact CE3-CD1 4.15Å; W113-L200 HydrophobicContact CH2-CD1 3.04Å; W113-L200 HydrophobicContact CH2-CD2 4.04Å; W113-L200 HydrophobicContact CH2-CG 3.88Å; W113-L200 HydrophobicContact CZ2-CD1 3.47Å; W113-L200 VanDerWaalsContact CZ2-CD1 3.47Å; W113-L200 HydrophobicContact CZ2-CD2 4.27Å; W113-L200 HydrophobicContact CZ2-CG 4.42Å; W113-L200 HydrophobicContact CZ3-CD1 3.41Å; W113-L200 VanDerWaalsContact CZ3-CD1 3.41Å; W113-L200 HydrophobicContact CZ3-CG 4.47Å; T198-L200 PolarHBondContact O-N 3.19Å

Retrieved 200 of 200 residues in 694.7 ms (Link to these results)

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