A0A087XCY5_POEFO Loading...

ATP-binding cassette sub-family B member 6

AlphaFold DB , UniProt , Accession A0A087XCY5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 852 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
1M49.5Very low64.8Low217 Ų217107.7 Ų107.7100%1.06957%0.574SS**  0124.10-91.1175.8169.400106.7F3M1-F3 HydrophobicContact CB-CD2 4.49Å; M1-F3 HydrophobicContact CB-CE2 3.94Å; M1-F3 HydrophobicContact CB-CZ 4.4Å; M1-F3 HydrophobicContact SD-CZ 4.46Å
2V52.6Low65.2Low86 Ų86102.7 Ų102.752%0.52155%0.546SS..  trans-82.2124.4174.2173.90000107.7L97V2-L97 HydrophobicContact CG1-CB 4.19Å; V2-L97 HydrophobicContact CG1-CD1 3.44Å; V2-L97 VanDerWaalsContact CG1-CD1 3.44Å; V2-L97 HydrophobicContact CG1-CG 4.36Å
3F59.7Low65.9Low145 Ų14598.7 Ų98.764%0.63653%0.531SS*.  trans-102.3128.9173.6-72.9-85.6000109.5M1M1-F3 HydrophobicContact CB-CD2 4.49Å; M1-F3 HydrophobicContact CB-CE2 3.94Å; M1-F3 HydrophobicContact CB-CZ 4.4Å; M1-F3 HydrophobicContact SD-CZ 4.46Å
4I63.9Low66.3Low124 Ų12497.9 Ų97.964%0.63653%0.525SS*.  trans-89.7112171.2-59.1173000106.6
5Q61.7Low66.7Low115 Ų11597.3 Ų97.354%0.53753%0.532SS..  trans-94.7-163.4172-104.7-172.624.800110.9E96Q5-E96 PolarHBondContact NE2-OE1 2.8Å; Q5-E96 PolarHBondContact OE1-OE2 2.99Å
6S71.4Confident67.3Low70 Ų7097.7 Ų97.749%0.4953%0.529SS..  trans-44.4151.3-177.650.50000114.2C8S6-C8 VanDerWaalsContact C-N 3.25Å; S6-C8 PolarHBondContact O-N 2.88Å; S6-C8 PolarHBondContact OG-O 3.47Å
7Y77.8Confident67.9Low81 Ų8196.1 Ų96.132%0.31852%0.523SS..SBendtrans-59-33.6-173.8-177-95.6000113.7I14 T30 G99 Y100 L103Y7-I14 HydrophobicContact CE1-CD1 4.08Å; Y7-T30 WeakPolarHBondContact OH-CG2 3.49Å; Y7-T30 PolarHBondContact OH-OG1 3.35Å; Y7-G99 PolarHBondContact O-N 3.15Å; Y7-Y100 VanDerWaalsContact O-CD1 3.32Å; Y7-Y100 WeakPolarHBondContact O-CD1 3.25Å; Y7-Y100 PolarHBondContact O-N 3.25Å; Y7-L103 HydrophobicContact CE2-CD1 4.37Å
8C78.6Confident68.6Low8 Ų898.9 Ų98.95%0.05453%0.525CS..SBendtrans-114155.5172.4-58.50000110.6S6 I12 C26S6-C8 VanDerWaalsContact C-N 3.25Å; S6-C8 PolarHBondContact O-N 2.88Å; S6-C8 PolarHBondContact OG-O 3.47Å; C8-I12 VanDerWaalsContact CB-O 3.22Å; C8-I12 WeakPolarHBondContact CB-O 3.34Å; C8-C26 VanDerWaalsContact CA-SG 3.57Å; C8-C26 HydrophobicContact CB-CB 3.72Å; C8-C26 WeakPolarHBondContact CB-SG 3.08Å; C8-C26 WeakPolarHBondContact SG-CB 3.3Å; C8-C26 CovalentContact SG-SG 2.04Å; C8-C26 PolarHBondContact SG-SG 3.35Å
9E71.4Confident68.9Low96 Ų9695.2 Ų95.245%0.44951%0.506SS..SBendtrans-72.2134.8172.2-70.4174.1-176.900110.7P98 Y100E9-P98 HydrophobicContact CG-CB 3.85Å; E9-P98 HydrophobicContact CG-CG 3.83Å; E9-P98 WeakPolarHBondContact OE1-CG 3.34Å; E9-Y100 HydrophobicContact CG-CE1 4.25Å
10G64.8Low68.9Low61 Ų6195.1 Ų95.163%0.62951%0.506SS*.THydrogen-bonded Turntrans70.9-170.9-178.400000115I12G10-I12 PolarHBondContact O-N 3.44Å
11N61.7Low69.1Low182 Ų18296.4 Ų96.497%0.97351%0.512SS*.THydrogen-bonded Turntrans-73.525.9177.8-103.7-2000113.6
12I68.9Low70.6Confident47 Ų4786.1 Ų86.124%0.24146%0.462CS..  trans-95.4125-173.7-55.2174.7000109.1C8 G10 H16C8-I12 VanDerWaalsContact CB-O 3.22Å; C8-I12 WeakPolarHBondContact CB-O 3.34Å; G10-I12 PolarHBondContact O-N 3.44Å; I12-H16 HydrophobicContact CG2-CB 4.38Å
13S74.4Confident72Confident51 Ų5183 Ų8336%0.35744%0.442SS..  trans-93.4159.2173.373.50000111.7S15 H16S13-S15 PolarHBondContact O-N 3.17Å; S13-S15 PolarHBondContact OG-OG 3.39Å; S13-H16 PolarHBondContact O-N 2.69Å; S13-H16 VanDerWaalsContact O-N 3.11Å; S13-H16 PolarHBondContact OG-CD2 2.86Å
14I71.8Confident73.2Confident87 Ų8776.2 Ų76.245%0.44641%0.412SS..THydrogen-bonded Turntrans-61.1-17178.2-159.3166.7000113.7Y7 H16 T30Y7-I14 HydrophobicContact CE1-CD1 4.08Å; I14-H16 VanDerWaalsContact C-N 3.33Å; I14-T30 HydrophobicContact CD1-CG2 4.07Å
15S72.3Confident74.1Confident89 Ų8971.2 Ų71.262%0.62239%0.388SS*.THydrogen-bonded Turntrans-78.7-14.4178.457.80000113.6S13 T17S13-S15 PolarHBondContact O-N 3.17Å; S13-S15 PolarHBondContact OG-OG 3.39Å; S15-T17 PolarHBondContact O-N 2.65Å
16H76.1Confident75.1Confident104 Ų10466.1 Ų66.148%0.48137%0.365SS..  trans-86.896.1175.2-69.1-75.9000110.4I12 S13 I14 V19 S24I12-H16 HydrophobicContact CG2-CB 4.38Å; S13-H16 PolarHBondContact O-N 2.69Å; S13-H16 VanDerWaalsContact O-N 3.11Å; S13-H16 PolarHBondContact OG-CD2 2.86Å; I14-H16 VanDerWaalsContact C-N 3.33Å; H16-V19 HydrophobicContact CB-CG2 3.99Å; H16-S24 WeakPolarHBondContact O-CB 3.27Å; H16-S24 PolarHBondContact O-OG 2.8Å
17T77.1Confident75.8Confident71 Ų7165.5 Ų65.544%0.43635%0.354SS..  trans-79.4-23.5-178.157.60000113.6S15 I23 S24 F27S15-T17 PolarHBondContact O-N 2.65Å; T17-I23 WeakPolarHBondContact O-CA 3.45Å; T17-S24 PolarHBondContact O-N 3.27Å; T17-F27 HydrophobicContact CG2-CD1 4.18Å; T17-F27 HydrophobicContact CG2-CD2 4.02Å; T17-F27 HydrophobicContact CG2-CE1 3.9Å; T17-F27 HydrophobicContact CG2-CE2 3.74Å; T17-F27 HydrophobicContact CG2-CG 4.24Å; T17-F27 HydrophobicContact CG2-CZ 3.67Å
18W80.9Confident76.2Confident147 Ų14762.1 Ų62.156%0.55734%0.34SS*.EExtended strand (participates in β ladder)trans-132.5119.2-177.5-165.1-84.6000110.4G22 I23 V155W18-G22 CarbonylContact C-O 3.56Å; W18-G22 WeakPolarHBondContact CA-O 3.29Å; W18-I23 HydrophobicContact CE3-CG1 4.27Å; W18-I23 HydrophobicContact CZ3-CG1 4.17Å; W18-V155 HydrophobicContact CH2-CG1 3.85Å; W18-V155 HydrophobicContact CZ3-CG1 3.87Å
19V74Confident76.6Confident28 Ų2862.3 Ų62.317%0.1734%0.341CS..EExtended strand (participates in β ladder)trans-142.1136.7-177.5-173.90000108.3H16 L21 G22H16-V19 HydrophobicContact CB-CG2 3.99Å; V19-L21 PolarHBondContact O-N 3.02Å; V19-G22 PolarHBondContact N-O 3.32Å; V19-G22 CarbonylContact O-C 3.6Å; V19-G22 PolarHBondContact O-N 2.84Å
20D69.1Low77.4Confident92 Ų9258.6 Ų58.649%0.49232%0.324SS..THydrogen-bonded Turntrans44.858.6176.4-58.1-30.4000114.1G22 S159 Q161D20-G22 PolarHBondContact O-N 2.91Å; D20-G22 VanDerWaalsContact O-N 3.1Å; D20-S159 WeakPolarHBondContact O-CA 3.43Å; D20-S159 VanDerWaalsContact O-CB 3.29Å; D20-S159 WeakPolarHBondContact O-CB 3.15Å; D20-S159 PolarHBondContact O-OG 2.84Å; D20-Q161 PolarHBondContact OD2-NE2 2.96Å
21L74.3Confident78.5Confident124 Ų12459.1 Ų59.165%0.64931%0.312SS*.THydrogen-bonded Turntrans58.820.5177.7-63.5164.4000115.1V19V19-L21 PolarHBondContact O-N 3.02Å
22G79.6Confident79.8Confident0 Ų051.3 Ų51.30%027%0.27CS..EExtended strand (participates in β ladder)trans-151.4177.7175.400000114.2W18 V19 D20W18-G22 CarbonylContact C-O 3.56Å; W18-G22 WeakPolarHBondContact CA-O 3.29Å; V19-G22 PolarHBondContact N-O 3.32Å; V19-G22 CarbonylContact O-C 3.6Å; V19-G22 PolarHBondContact O-N 2.84Å; D20-G22 PolarHBondContact O-N 2.91Å; D20-G22 VanDerWaalsContact O-N 3.1Å
23I82.8Confident80.7Confident22 Ų2249.1 Ų49.111%0.11326%0.259CS..EExtended strand (participates in β ladder)trans-76.6135.6173.2-57.3173000108.7T17 W18 F27 H28 L152 V155 S156 W162T17-I23 WeakPolarHBondContact O-CA 3.45Å; W18-I23 HydrophobicContact CE3-CG1 4.27Å; W18-I23 HydrophobicContact CZ3-CG1 4.17Å; I23-F27 HydrophobicContact CG2-CD1 3.98Å; I23-H28 HydrophobicContact CG2-CB 3.97Å; I23-L152 HydrophobicContact CD1-CD1 4.26Å; I23-L152 HydrophobicContact CD1-CD2 4.19Å; I23-L152 HydrophobicContact CD1-CG 3.99Å; I23-V155 HydrophobicContact CD1-CB 4.44Å; I23-V155 HydrophobicContact CD1-CG1 4.34Å; I23-S156 PolarHBondContact N-OG 3.39Å; I23-W162 HydrophobicContact CB-CZ2 4.47Å; I23-W162 PolarHBondContact O-NE1 2.94Å
24S84.1Confident81.4Confident1 Ų148.8 Ų48.81%0.00726%0.255CS..  trans-64.1131.5178.364.90000111.3H16 T17 C26 F27 H28H16-S24 WeakPolarHBondContact O-CB 3.27Å; H16-S24 PolarHBondContact O-OG 2.8Å; T17-S24 PolarHBondContact O-N 3.27Å; S24-C26 PolarHBondContact O-N 3.4Å; S24-F27 PolarHBondContact O-N 3.07Å; S24-F27 VanDerWaalsContact O-N 3.16Å; S24-F27 WeakPolarHBondContact OG-CB 3.47Å; S24-H28 WeakPolarHBondContact O-CB 3.36Å; S24-H28 PolarHBondContact O-N 3.21Å
25P82.4Confident82.2Confident20 Ų2048 Ų4813%0.1325%0.251CS..Hα-helixtrans-56.1-38.6180-2835.1000112.9F27 H28 F29 Q161P25-F27 PolarHBondContact O-N 3.33Å; P25-H28 PolarHBondContact O-N 3.03Å; P25-F29 HydrophobicContact CB-CD2 4.23Å; P25-F29 HydrophobicContact CB-CE2 4.23Å; P25-F29 WeakPolarHBondContact O-CD2 3.16Å; P25-F29 PolarHBondContact O-N 2.86Å; P25-Q161 HydrophobicContact CG-CB 4.39Å
26C83.9Confident83Confident7 Ų744.6 Ų44.65%0.04723%0.226CC..Hα-helixtrans-60.6-44.4178.1-167.60000112.5C8 S24 T30 Y100C8-C26 VanDerWaalsContact CA-SG 3.57Å; C8-C26 HydrophobicContact CB-CB 3.72Å; C8-C26 WeakPolarHBondContact CB-SG 3.08Å; C8-C26 WeakPolarHBondContact SG-CB 3.3Å; C8-C26 CovalentContact SG-SG 2.04Å; C8-C26 PolarHBondContact SG-SG 3.35Å; S24-C26 PolarHBondContact O-N 3.4Å; C26-T30 VanDerWaalsContact O-CB 3.25Å; C26-T30 WeakPolarHBondContact O-CB 3.43Å; C26-T30 PolarHBondContact O-N 3.43Å; C26-T30 PolarHBondContact O-OG1 2.99Å; C26-Y100 HydrophobicContact CB-CD1 4.13Å; C26-Y100 HydrophobicContact CB-CE1 4.47Å; C26-Y100 HydrophobicContact CB-CG 4.3Å
27F85.5Confident83.7Confident58 Ų5841.2 Ų41.225%0.25421%0.211SC..Hα-helixtrans-69.5-46.1177.3177.5-103000111.5T17 I23 S24 P25 T30 L31T17-F27 HydrophobicContact CG2-CD1 4.18Å; T17-F27 HydrophobicContact CG2-CD2 4.02Å; T17-F27 HydrophobicContact CG2-CE1 3.9Å; T17-F27 HydrophobicContact CG2-CE2 3.74Å; T17-F27 HydrophobicContact CG2-CG 4.24Å; T17-F27 HydrophobicContact CG2-CZ 3.67Å; I23-F27 HydrophobicContact CG2-CD1 3.98Å; S24-F27 PolarHBondContact O-N 3.07Å; S24-F27 VanDerWaalsContact O-N 3.16Å; S24-F27 WeakPolarHBondContact OG-CB 3.47Å; P25-F27 PolarHBondContact O-N 3.33Å; F27-T30 PolarHBondContact O-N 3.14Å; F27-L31 HydrophobicContact CE1-CD2 3.92Å; F27-L31 HydrophobicContact CZ-CD2 3.86Å; F27-L31 VanDerWaalsContact O-CB 3.25Å; F27-L31 WeakPolarHBondContact O-CB 3.29Å; F27-L31 PolarHBondContact O-N 3.34Å
28H86.2Confident84.2Confident9 Ų940.5 Ų40.54%0.04221%0.209CC..Hα-helixtrans-59.2-54.8-177.7179.885.8000112.5I23 S24 P25 T30 L31 I32 W162I23-H28 HydrophobicContact CG2-CB 3.97Å; S24-H28 WeakPolarHBondContact O-CB 3.36Å; S24-H28 PolarHBondContact O-N 3.21Å; P25-H28 PolarHBondContact O-N 3.03Å; H28-T30 VanDerWaalsContact C-N 3.35Å; H28-T30 PolarHBondContact O-N 3Å; H28-L31 PolarHBondContact O-N 3.43Å; H28-I32 WeakPolarHBondContact CE1-CD1 3.42Å; H28-I32 WeakPolarHBondContact ND1-CD1 3.38Å; H28-I32 WeakPolarHBondContact NE2-CD1 3.48Å; H28-I32 WeakPolarHBondContact O-CB 3.47Å; H28-I32 WeakPolarHBondContact O-CG1 3.34Å; H28-I32 PolarHBondContact O-N 2.86Å; H28-W162 HydrophobicContact CB-CZ2 4.39Å; H28-W162 AromaticContact CD2-CH2 3.71Å; H28-W162 AromaticContact CE1-CH2 3.89Å; H28-W162 AromaticContact CG-CH2 3.91Å; H28-W162 AromaticContact NE2-CH2 3.72Å
29F87.2Confident84.5Confident13 Ų1334.9 Ų34.96%0.05719%0.19CC..Hα-helixtrans-69.1-32.2-177.4-71.2-59.3000112.7P25 S33 Y100 Y104 W163P25-F29 HydrophobicContact CB-CD2 4.23Å; P25-F29 HydrophobicContact CB-CE2 4.23Å; P25-F29 WeakPolarHBondContact O-CD2 3.16Å; P25-F29 PolarHBondContact O-N 2.86Å; F29-S33 WeakPolarHBondContact O-CB 3.46Å; F29-S33 PolarHBondContact O-N 3.16Å; F29-S33 PolarHBondContact O-OG 3.19Å; F29-Y100 HydrophobicContact CB-CD2 4.01Å; F29-Y100 HydrophobicContact CB-CE2 4.38Å; F29-Y100 HydrophobicContact CD2-CD2 4.32Å; F29-Y100 AromaticContact CD2-CE2 3.83Å; F29-Y100 HydrophobicContact CD2-CE2 3.83Å; F29-Y100 HydrophobicContact CG-CE2 4.5Å; F29-Y104 HydrophobicContact CB-CD2 3.9Å; F29-Y104 HydrophobicContact CB-CE2 4.47Å; F29-Y104 HydrophobicContact CB-CG 4.03Å; F29-Y104 HydrophobicContact CD1-CD1 4.14Å; F29-Y104 AromaticContact CD1-CD2 3.83Å; F29-Y104 HydrophobicContact CD1-CD2 3.83Å; F29-Y104 AromaticContact CD1-CE1 3.85Å; F29-Y104 HydrophobicContact CD1-CE1 3.85Å; F29-Y104 AromaticContact CD1-CE2 3.58Å; F29-Y104 HydrophobicContact CD1-CE2 3.58Å; F29-Y104 HydrophobicContact CD1-CG 4.11Å; F29-Y104 AromaticContact CD1-CZ 3.55Å; F29-Y104 HydrophobicContact CE1-CE1 4.11Å; F29-Y104 HydrophobicContact CE1-CE2 4.34Å; F29-Y104 AromaticContact CE1-CZ 3.88Å; F29-Y104 HydrophobicContact CG-CD2 4.31Å; F29-Y104 HydrophobicContact CG-CE2 4.48Å; F29-Y104 HydrophobicContact CG-CG 4.37Å; F29-Y104 WeakPolarHBondContact O-CD2 3.42Å; F29-W163 HydrophobicContact CE2-CZ3 4.18Å; F29-W163 AromaticContact CZ-CH2 3.92Å; F29-W163 HydrophobicContact CZ-CH2 3.92Å; F29-W163 AromaticContact CZ-CZ3 3.7Å; F29-W163 HydrophobicContact CZ-CZ3 3.7Å
30T88.3Confident85.1Confident17 Ų1734 Ų3410%0.10418%0.184CC..Hα-helixtrans-68.2-46.4174.2-57.30000111.6Y7 I14 C26 F27 H28 S33 T34 L103Y7-T30 WeakPolarHBondContact OH-CG2 3.49Å; Y7-T30 PolarHBondContact OH-OG1 3.35Å; I14-T30 HydrophobicContact CD1-CG2 4.07Å; C26-T30 VanDerWaalsContact O-CB 3.25Å; C26-T30 WeakPolarHBondContact O-CB 3.43Å; C26-T30 PolarHBondContact O-N 3.43Å; C26-T30 PolarHBondContact O-OG1 2.99Å; F27-T30 PolarHBondContact O-N 3.14Å; H28-T30 VanDerWaalsContact C-N 3.35Å; H28-T30 PolarHBondContact O-N 3Å; T30-S33 PolarHBondContact O-OG 3.14Å; T30-T34 WeakPolarHBondContact O-CB 3.4Å; T30-T34 WeakPolarHBondContact O-CG2 3.33Å; T30-T34 PolarHBondContact O-N 3.46Å; T30-T34 PolarHBondContact O-OG1 3.2Å; T30-L103 HydrophobicContact CG2-CD2 4.29Å
31L87.9Confident86Confident73 Ų7334.5 Ų34.538%0.38218%0.182SC..Hα-helixtrans-68.9-43.1-177.4-175.569.4000112.2F27 H28 T34 I35F27-L31 HydrophobicContact CE1-CD2 3.92Å; F27-L31 HydrophobicContact CZ-CD2 3.86Å; F27-L31 VanDerWaalsContact O-CB 3.25Å; F27-L31 WeakPolarHBondContact O-CB 3.29Å; F27-L31 PolarHBondContact O-N 3.34Å; H28-L31 PolarHBondContact O-N 3.43Å; L31-T34 WeakPolarHBondContact CA-OG1 3.43Å; L31-T34 PolarHBondContact O-OG1 2.78Å; L31-I35 HydrophobicContact CD1-CD1 3.84Å; L31-I35 HydrophobicContact CD1-CG1 4.37Å; L31-I35 HydrophobicContact CD2-CD1 4.41Å; L31-I35 HydrophobicContact CG-CD1 3.75Å; L31-I35 WeakPolarHBondContact O-CB 3.43Å; L31-I35 VanDerWaalsContact O-CG1 3.25Å; L31-I35 WeakPolarHBondContact O-CG1 3.49Å; L31-I35 PolarHBondContact O-N 3.35Å
32I88.4Confident86.7Confident18 Ų1835 Ų359%0.09218%0.18CC..Hα-helixtrans-68.1-45.2-176.9-74.7163.1000111.3H28 T34 I35 L36 A149H28-I32 WeakPolarHBondContact CE1-CD1 3.42Å; H28-I32 WeakPolarHBondContact ND1-CD1 3.38Å; H28-I32 WeakPolarHBondContact NE2-CD1 3.48Å; H28-I32 WeakPolarHBondContact O-CB 3.47Å; H28-I32 WeakPolarHBondContact O-CG1 3.34Å; H28-I32 PolarHBondContact O-N 2.86Å; I32-T34 VanDerWaalsContact C-N 3.34Å; I32-T34 PolarHBondContact O-N 2.78Å; I32-I35 PolarHBondContact O-N 3.15Å; I32-L36 HydrophobicContact CG2-CD1 3.61Å; I32-L36 HydrophobicContact CG2-CG 4.2Å; I32-L36 WeakPolarHBondContact O-CB 3.45Å; I32-L36 VanDerWaalsContact O-CG 3.31Å; I32-L36 WeakPolarHBondContact O-CG 3.49Å; I32-L36 PolarHBondContact O-N 3.09Å; I32-A149 HydrophobicContact CD1-CB 3.9Å; I32-A149 HydrophobicContact CG1-CB 4.02Å; I32-A149 HydrophobicContact CG2-CB 3.74Å
33S88.2Confident87Confident1 Ų139 Ų391%0.00720%0.2CC..Hα-helixtrans-65.6-37.1-179.955.40000112.8F29 T30 L37F29-S33 WeakPolarHBondContact O-CB 3.46Å; F29-S33 PolarHBondContact O-N 3.16Å; F29-S33 PolarHBondContact O-OG 3.19Å; T30-S33 PolarHBondContact O-OG 3.14Å; S33-L37 VanDerWaalsContact O-CB 3.24Å; S33-L37 WeakPolarHBondContact O-CB 3.31Å; S33-L37 PolarHBondContact O-N 3.49Å
34T89.2Confident87Confident43 Ų4338.1 Ų38.126%0.26420%0.197SC..Hα-helixtrans-67-43.5175.449.20000112.4T30 L31 I32 S38 F107T30-T34 WeakPolarHBondContact O-CB 3.4Å; T30-T34 WeakPolarHBondContact O-CG2 3.33Å; T30-T34 PolarHBondContact O-N 3.46Å; T30-T34 PolarHBondContact O-OG1 3.2Å; L31-T34 WeakPolarHBondContact CA-OG1 3.43Å; L31-T34 PolarHBondContact O-OG1 2.78Å; I32-T34 VanDerWaalsContact C-N 3.34Å; I32-T34 PolarHBondContact O-N 2.78Å; T34-S38 WeakPolarHBondContact O-CB 3.34Å; T34-S38 PolarHBondContact O-N 3.39Å; T34-S38 PolarHBondContact O-OG 3.19Å; T34-F107 HydrophobicContact CG2-CD2 3.89Å; T34-F107 HydrophobicContact CG2-CE2 3.75Å
35I88.9Confident87.1Confident71 Ų7139.4 Ų39.436%0.36421%0.205SC..Hα-helixtrans-66.3-48177.4-69.6172.9000110.9L31 I32 L37 S38 I39L31-I35 HydrophobicContact CD1-CD1 3.84Å; L31-I35 HydrophobicContact CD1-CG1 4.37Å; L31-I35 HydrophobicContact CD2-CD1 4.41Å; L31-I35 HydrophobicContact CG-CD1 3.75Å; L31-I35 WeakPolarHBondContact O-CB 3.43Å; L31-I35 VanDerWaalsContact O-CG1 3.25Å; L31-I35 WeakPolarHBondContact O-CG1 3.49Å; L31-I35 PolarHBondContact O-N 3.35Å; I32-I35 PolarHBondContact O-N 3.15Å; I35-L37 PolarHBondContact O-N 3.42Å; I35-S38 PolarHBondContact O-N 3.35Å; I35-I39 HydrophobicContact CG2-CD1 3.62Å; I35-I39 HydrophobicContact CG2-CG1 4.27Å; I35-I39 WeakPolarHBondContact O-CB 3.21Å; I35-I39 VanDerWaalsContact O-CG1 3.31Å; I35-I39 WeakPolarHBondContact O-CG1 3.31Å; I35-I39 PolarHBondContact O-N 3.4Å
36L88.3Confident87.2Confident17 Ų1742.7 Ų42.79%0.08922%0.224CC..Hα-helixtrans-62.3-42.7-179.4-74.7176.4000111.9I32 C40 F142 F145 A146I32-L36 HydrophobicContact CG2-CD1 3.61Å; I32-L36 HydrophobicContact CG2-CG 4.2Å; I32-L36 WeakPolarHBondContact O-CB 3.45Å; I32-L36 VanDerWaalsContact O-CG 3.31Å; I32-L36 WeakPolarHBondContact O-CG 3.49Å; I32-L36 PolarHBondContact O-N 3.09Å; L36-C40 VanDerWaalsContact O-CB 3.28Å; L36-C40 WeakPolarHBondContact O-CB 3.36Å; L36-C40 PolarHBondContact O-N 3.42Å; L36-F142 HydrophobicContact CB-CE2 4.04Å; L36-F142 HydrophobicContact CD2-CD2 4.15Å; L36-F142 HydrophobicContact CD2-CE2 4.03Å; L36-F145 HydrophobicContact CD2-CB 4.08Å; L36-A146 HydrophobicContact CD1-CB 4.44Å; L36-A146 HydrophobicContact CD2-CB 4.03Å
37L91.1Very high87.1Confident33 Ų3343.4 Ų43.417%0.17323%0.227CC..Hα-helixtrans-63-44.5174.7-17961.8000111.3S33 I35 C40 F41 F107 L110S33-L37 VanDerWaalsContact O-CB 3.24Å; S33-L37 WeakPolarHBondContact O-CB 3.31Å; S33-L37 PolarHBondContact O-N 3.49Å; I35-L37 PolarHBondContact O-N 3.42Å; L37-C40 PolarHBondContact O-N 3.3Å; L37-F41 WeakPolarHBondContact O-CB 3.42Å; L37-F41 PolarHBondContact O-N 2.93Å; L37-F107 HydrophobicContact CD2-CB 4.06Å; L37-F107 HydrophobicContact CD2-CD1 3.97Å; L37-F107 HydrophobicContact CD2-CD2 3.85Å; L37-F107 HydrophobicContact CD2-CE1 4.37Å; L37-F107 HydrophobicContact CD2-CE2 4.25Å; L37-F107 HydrophobicContact CD2-CG 3.69Å; L37-F107 HydrophobicContact CD2-CZ 4.49Å; L37-L110 HydrophobicContact CD1-CB 3.72Å
38S88.6Confident87Confident57 Ų5741.4 Ų41.440%0.39922%0.22SC..Hα-helixtrans-63.1-46.5-179.9-60.70000112T34 I35 F42T34-S38 WeakPolarHBondContact O-CB 3.34Å; T34-S38 PolarHBondContact O-N 3.39Å; T34-S38 PolarHBondContact O-OG 3.19Å; I35-S38 PolarHBondContact O-N 3.35Å; S38-F42 WeakPolarHBondContact O-CB 3.38Å; S38-F42 VanDerWaalsContact O-CD2 3.3Å; S38-F42 WeakPolarHBondContact O-CD2 3.39Å; S38-F42 PolarHBondContact O-N 3.28Å
39I87Confident86.9Confident29 Ų2945.9 Ų45.915%0.14924%0.243CC..Hα-helixtrans-60-50.9177.5-70.3173.6000109.9I35 L43 V141 F142 F145I35-I39 HydrophobicContact CG2-CD1 3.62Å; I35-I39 HydrophobicContact CG2-CG1 4.27Å; I35-I39 WeakPolarHBondContact O-CB 3.21Å; I35-I39 VanDerWaalsContact O-CG1 3.31Å; I35-I39 WeakPolarHBondContact O-CG1 3.31Å; I35-I39 PolarHBondContact O-N 3.4Å; I39-L43 HydrophobicContact CG2-CD1 3.99Å; I39-L43 VanDerWaalsContact O-CB 3.26Å; I39-L43 WeakPolarHBondContact O-CB 3.48Å; I39-L43 PolarHBondContact O-N 2.97Å; I39-V141 HydrophobicContact CG2-CG1 4.14Å; I39-F142 HydrophobicContact CG2-CB 4.37Å; I39-F145 HydrophobicContact CD1-CB 4.3Å; I39-F145 HydrophobicContact CD1-CD1 4.31Å; I39-F145 HydrophobicContact CD1-CD2 3.77Å; I39-F145 HydrophobicContact CD1-CE2 4.14Å; I39-F145 HydrophobicContact CD1-CG 3.87Å
40C86.4Confident86.6Confident8 Ų848 Ų485%0.05426%0.259CS..Hα-helixtrans-65.1-45.3-177.4-161.60000111.5L36 L37 G44 G111 W114 A115 F142L36-C40 VanDerWaalsContact O-CB 3.28Å; L36-C40 WeakPolarHBondContact O-CB 3.36Å; L36-C40 PolarHBondContact O-N 3.42Å; L37-C40 PolarHBondContact O-N 3.3Å; C40-G44 WeakPolarHBondContact O-CA 3.37Å; C40-G44 PolarHBondContact O-N 3.07Å; C40-G111 PolarHBondContact SG-O 3.2Å; C40-W114 PolarHBondContact O-NE1 3.22Å; C40-A115 PolarHBondContact SG-N 3.12Å; C40-A115 VanDerWaalsContact SG-N 3.42Å; C40-F142 HydrophobicContact CB-CD2 3.66Å; C40-F142 HydrophobicContact CB-CE2 3.71Å; C40-F142 HydrophobicContact CB-CG 4.42Å
41F88.1Confident86.2Confident103 Ų10349 Ų4945%0.45226%0.261SS..Hα-helixtrans-66.6-54.1-178.8-173.6-100.8000111.6L37 T45L37-F41 WeakPolarHBondContact O-CB 3.42Å; L37-F41 PolarHBondContact O-N 2.93Å; F41-T45 HydrophobicContact CD2-CG2 4.26Å; F41-T45 HydrophobicContact CE2-CG2 4.19Å; F41-T45 HydrophobicContact CZ-CG2 4.38Å; F41-T45 WeakPolarHBondContact O-CB 3.41Å; F41-T45 WeakPolarHBondContact O-CG2 3.36Å; F41-T45 PolarHBondContact O-N 3.49Å; F41-T45 PolarHBondContact O-OG1 3.35Å
42F88Confident85.8Confident136 Ų13651.6 Ų51.660%0.59627%0.271SS*.Hα-helixtrans-70.2-50.9-176.8-77.1-76.2000112.8S38 T45 V46S38-F42 WeakPolarHBondContact O-CB 3.38Å; S38-F42 VanDerWaalsContact O-CD2 3.3Å; S38-F42 WeakPolarHBondContact O-CD2 3.39Å; S38-F42 PolarHBondContact O-N 3.28Å; F42-T45 PolarHBondContact O-OG1 2.9Å; F42-T45 VanDerWaalsContact O-OG1 3.05Å; F42-V46 VanDerWaalsContact O-CG2 3.29Å; F42-V46 WeakPolarHBondContact O-CG2 3.34Å; F42-V46 PolarHBondContact O-N 3.34Å
43L85.6Confident85.5Confident83 Ų8357.9 Ų57.944%0.43530%0.297SS..Hα-helixtrans-71.8-37.5-178.9-62.5176.7000111.4I39 H47 A138 V141I39-L43 HydrophobicContact CG2-CD1 3.99Å; I39-L43 VanDerWaalsContact O-CB 3.26Å; I39-L43 WeakPolarHBondContact O-CB 3.48Å; I39-L43 PolarHBondContact O-N 2.97Å; L43-H47 WeakPolarHBondContact O-CB 3.47Å; L43-H47 PolarHBondContact O-N 2.96Å; L43-A138 HydrophobicContact CB-CB 3.78Å; L43-V141 HydrophobicContact CD1-CG1 4.46Å
44G83Confident85Confident3 Ų364.9 Ų64.93%0.03133%0.325CS..Hα-helixtrans-68.9-39.517800000113C40 H47 C48C40-G44 WeakPolarHBondContact O-CA 3.37Å; C40-G44 PolarHBondContact O-N 3.07Å; G44-H47 PolarHBondContact O-N 2.88Å; G44-C48 WeakPolarHBondContact O-CB 3.44Å; G44-C48 PolarHBondContact O-N 3.46Å; G44-C48 PolarHBondContact O-SG 3.37Å
45T85.9Confident84.1Confident29 Ų2963.4 Ų63.418%0.17832%0.318CS..Hα-helixtrans-65.4-46.4175.351.80000111.9F41 F42 H47 C48 I49 W114F41-T45 HydrophobicContact CD2-CG2 4.26Å; F41-T45 HydrophobicContact CE2-CG2 4.19Å; F41-T45 HydrophobicContact CZ-CG2 4.38Å; F41-T45 WeakPolarHBondContact O-CB 3.41Å; F41-T45 WeakPolarHBondContact O-CG2 3.36Å; F41-T45 PolarHBondContact O-N 3.49Å; F41-T45 PolarHBondContact O-OG1 3.35Å; F42-T45 PolarHBondContact O-OG1 2.9Å; F42-T45 VanDerWaalsContact O-OG1 3.05Å; T45-H47 VanDerWaalsContact C-N 3.27Å; T45-H47 PolarHBondContact O-N 2.99Å; T45-C48 PolarHBondContact O-N 2.92Å; T45-I49 VanDerWaalsContact O-CG1 3.26Å; T45-I49 WeakPolarHBondContact O-CG1 3.42Å; T45-I49 PolarHBondContact O-N 2.89Å; T45-W114 HydrophobicContact CG2-CH2 4.06Å; T45-W114 HydrophobicContact CG2-CZ2 3.32Å
46V85.2Confident83.5Confident88 Ų8862.3 Ų62.353%0.53332%0.315SS..Hα-helixtrans-58.1-43.51751710000110.5F42 I49 C50F42-V46 VanDerWaalsContact O-CG2 3.29Å; F42-V46 WeakPolarHBondContact O-CG2 3.34Å; F42-V46 PolarHBondContact O-N 3.34Å; V46-I49 PolarHBondContact O-N 3.47Å; V46-C50 WeakPolarHBondContact O-CB 3.13Å; V46-C50 PolarHBondContact O-N 2.92Å; V46-C50 PolarHBondContact O-SG 3Å; V46-C50 VanDerWaalsContact O-SG 3.36Å
47H82.8Confident83Confident22 Ų2266.2 Ų66.210%0.10234%0.341CS..Hα-helixtrans-62.6-47.7177.5-174.4-98.5000112.3L43 G44 T45 I49 C50 Y51 E122 S136 A138L43-H47 WeakPolarHBondContact O-CB 3.47Å; L43-H47 PolarHBondContact O-N 2.96Å; G44-H47 PolarHBondContact O-N 2.88Å; T45-H47 VanDerWaalsContact C-N 3.27Å; T45-H47 PolarHBondContact O-N 2.99Å; H47-I49 PolarHBondContact O-N 2.87Å; H47-C50 PolarHBondContact O-N 3.01Å; H47-Y51 AromaticContact CD2-CD2 3.89Å; H47-Y51 AromaticContact CD2-CE2 3.55Å; H47-Y51 AromaticContact CE1-CD2 3.67Å; H47-Y51 AromaticContact CE1-CE2 3.43Å; H47-Y51 VanDerWaalsContact CE1-CE2 3.43Å; H47-Y51 WeakPolarHBondContact CE1-CE2 3.47Å; H47-Y51 AromaticContact CE1-CZ 3.6Å; H47-Y51 AromaticContact NE2-CD2 3.5Å; H47-Y51 WeakPolarHBondContact NE2-CD2 3.38Å; H47-Y51 AromaticContact NE2-CE2 2.89Å; H47-Y51 WeakPolarHBondContact NE2-CE2 3.37Å; H47-Y51 AromaticContact NE2-CZ 3.27Å; H47-Y51 VanDerWaalsContact NE2-CZ 3.27Å; H47-Y51 PolarHBondContact NE2-OH 2.92Å; H47-Y51 WeakPolarHBondContact O-CD2 3.27Å; H47-Y51 PolarHBondContact O-N 2.84Å; H47-E122 IonicContact CE1-OE1 2.76Å; H47-S136 WeakPolarHBondContact NE2-CB 3.37Å; H47-A138 HydrophobicContact CB-CB 4.45Å
48C83.3Confident82.2Confident16 Ų1665.4 Ų65.411%0.10834%0.337CS..Hα-helixtrans-60.1-42.8175.4-73.40000112.5G44 T45 Y51 Q52G44-C48 WeakPolarHBondContact O-CB 3.44Å; G44-C48 PolarHBondContact O-N 3.46Å; G44-C48 PolarHBondContact O-SG 3.37Å; T45-C48 PolarHBondContact O-N 2.92Å; C48-Y51 PolarHBondContact O-N 2.81Å; C48-Q52 WeakPolarHBondContact O-CB 3.45Å; C48-Q52 VanDerWaalsContact O-CG 3.3Å; C48-Q52 WeakPolarHBondContact O-CG 3.17Å; C48-Q52 PolarHBondContact O-N 3.23Å
49I84.4Confident81.4Confident104 Ų10468.5 Ų68.553%0.53335%0.345SS..Hα-helixtrans-63-45.4177.7-68.8164.9000110.5T45 V46 H47 Y51 Q52 K53T45-I49 VanDerWaalsContact O-CG1 3.26Å; T45-I49 WeakPolarHBondContact O-CG1 3.42Å; T45-I49 PolarHBondContact O-N 2.89Å; V46-I49 PolarHBondContact O-N 3.47Å; H47-I49 PolarHBondContact O-N 2.87Å; I49-Y51 PolarHBondContact O-N 3.5Å; I49-Q52 PolarHBondContact O-N 3.11Å; I49-K53 WeakPolarHBondContact O-CB 3.47Å; I49-K53 PolarHBondContact O-N 3.38Å
50C80.7Confident80.8Confident57 Ų5772.4 Ų72.439%0.38538%0.375SS..Hα-helixtrans-61.2-44.8177-76.30000111.9V46 H47 Q52 K53 Y54V46-C50 WeakPolarHBondContact O-CB 3.13Å; V46-C50 PolarHBondContact O-N 2.92Å; V46-C50 PolarHBondContact O-SG 3Å; V46-C50 VanDerWaalsContact O-SG 3.36Å; H47-C50 PolarHBondContact O-N 3.01Å; C50-Q52 VanDerWaalsContact C-N 3.31Å; C50-Q52 PolarHBondContact O-N 2.84Å; C50-K53 PolarHBondContact O-N 2.81Å; C50-Y54 WeakPolarHBondContact O-CB 3.34Å; C50-Y54 WeakPolarHBondContact O-CD2 3.39Å; C50-Y54 PolarHBondContact O-N 3.21Å
51Y79.1Confident80.1Confident38 Ų3880.7 Ų80.715%0.14941%0.41CS..Hα-helixtrans-70.6-28.3178.1-86.8-120.4000112.5H47 C48 I49 G55 V121 R125 P127H47-Y51 AromaticContact CD2-CD2 3.89Å; H47-Y51 AromaticContact CD2-CE2 3.55Å; H47-Y51 AromaticContact CE1-CD2 3.67Å; H47-Y51 AromaticContact CE1-CE2 3.43Å; H47-Y51 VanDerWaalsContact CE1-CE2 3.43Å; H47-Y51 WeakPolarHBondContact CE1-CE2 3.47Å; H47-Y51 AromaticContact CE1-CZ 3.6Å; H47-Y51 AromaticContact NE2-CD2 3.5Å; H47-Y51 WeakPolarHBondContact NE2-CD2 3.38Å; H47-Y51 AromaticContact NE2-CE2 2.89Å; H47-Y51 WeakPolarHBondContact NE2-CE2 3.37Å; H47-Y51 AromaticContact NE2-CZ 3.27Å; H47-Y51 VanDerWaalsContact NE2-CZ 3.27Å; H47-Y51 PolarHBondContact NE2-OH 2.92Å; H47-Y51 WeakPolarHBondContact O-CD2 3.27Å; H47-Y51 PolarHBondContact O-N 2.84Å; C48-Y51 PolarHBondContact O-N 2.81Å; I49-Y51 PolarHBondContact O-N 3.5Å; Y51-G55 WeakPolarHBondContact O-CA 3.47Å; Y51-G55 PolarHBondContact O-N 2.84Å; Y51-V121 HydrophobicContact CD1-CG1 4.34Å; Y51-V121 HydrophobicContact CG-CG1 4.4Å; Y51-R125 HydrophobicContact CD1-CB 4.16Å; Y51-R125 WeakPolarHBondContact CD1-O 3.48Å; Y51-R125 VanDerWaalsContact CE1-O 3.28Å; Y51-R125 WeakPolarHBondContact CE1-O 3.34Å; Y51-R125 WeakPolarHBondContact O-CD 3.42Å; Y51-P127 HydrophobicContact CE1-CG 4.37Å; Y51-P127 HydrophobicContact CE2-CG 4.13Å
52Q79.4Confident79.1Confident128 Ų12879.1 Ų79.160%0.59840%0.403SS*.Hα-helixtrans-70.6-39.6172.9-80-176.11.100112.5C48 I49 C50 R125C48-Q52 WeakPolarHBondContact O-CB 3.45Å; C48-Q52 VanDerWaalsContact O-CG 3.3Å; C48-Q52 WeakPolarHBondContact O-CG 3.17Å; C48-Q52 PolarHBondContact O-N 3.23Å; I49-Q52 PolarHBondContact O-N 3.11Å; C50-Q52 VanDerWaalsContact C-N 3.31Å; C50-Q52 PolarHBondContact O-N 2.84Å; Q52-R125 PolarHBondContact O-NH1 2.97Å
53K81.7Confident78.4Confident149 Ų14974.5 Ų74.565%0.64838%0.384SS*.Hα-helixtrans-83.8-35.6-175.9-170.4172.8-179.2-1770113.9I49 C50I49-K53 WeakPolarHBondContact O-CB 3.47Å; I49-K53 PolarHBondContact O-N 3.38Å; C50-K53 PolarHBondContact O-N 2.81Å
54Y77.9Confident77.8Confident149 Ų14972.5 Ų72.558%0.58438%0.376SS*.Hα-helixtrans-120.8-6.1-172-57.8-74000114.1C50C50-Y54 WeakPolarHBondContact O-CB 3.34Å; C50-Y54 WeakPolarHBondContact O-CD2 3.39Å; C50-Y54 PolarHBondContact O-N 3.21Å
55G71.2Confident77.3Confident12 Ų1284.1 Ų84.112%0.12442%0.419CS..EExtended strand (participates in β ladder)trans-88.8131.9-179.300000112.4Y51 V126Y51-G55 WeakPolarHBondContact O-CA 3.47Å; Y51-G55 PolarHBondContact O-N 2.84Å; G55-V126 WeakPolarHBondContact CA-O 3.49Å
56T75.8Confident77Confident48 Ų4884.4 Ų84.429%0.29442%0.422SS..EExtended strand (participates in β ladder)trans-85.3141.4169.352.20000109.9M58 R125 V126 L128T56-M58 PolarHBondContact O-N 2.92Å; T56-R125 VanDerWaalsContact O-CA 3.3Å; T56-R125 WeakPolarHBondContact O-CA 3.44Å; T56-V126 PolarHBondContact N-O 3.04Å; T56-V126 PolarHBondContact O-N 3.18Å; T56-V126 PolarHBondContact OG1-O 2.88Å; T56-L128 HydrophobicContact CG2-CD1 4.31Å; T56-L128 HydrophobicContact CG2-CG 4.43Å
57P78.2Confident76.9Confident99 Ų9988.8 Ų88.864%0.64344%0.437SS*.EExtended strand (participates in β ladder)trans-66.9129.1173.927.7-32.4000110.1R124P57-R124 WeakPolarHBondContact CA-O 3.47Å
58M73.1Confident76.9Confident16 Ų1690.9 Ų90.98%0.07945%0.448CS..PPolyproline II helixtrans-72.2129.8174.2-84-169.7-84.500110.4T56 I63 R123 R124 V126 L198 P199 Y203T56-M58 PolarHBondContact O-N 2.92Å; M58-I63 HydrophobicContact CB-CG1 4.2Å; M58-R123 WeakPolarHBondContact CE-O 3.37Å; M58-R124 PolarHBondContact N-O 3.42Å; M58-V126 HydrophobicContact CE-CG2 3.26Å; M58-V126 HydrophobicContact CG-CB 4.43Å; M58-V126 HydrophobicContact CG-CG2 3.67Å; M58-V126 HydrophobicContact SD-CG2 3.48Å; M58-V126 WeakPolarHBondContact SD-CG2 3.45Å; M58-L198 HydrophobicContact CE-CD2 4.22Å; M58-P199 HydrophobicContact SD-CG 4.43Å; M58-Y203 HydrophobicContact CG-CD2 4.49Å; M58-Y203 HydrophobicContact CG-CE2 4.39Å
59E73.6Confident76.9Confident121 Ų12190.8 Ų90.857%0.56545%0.446SS*.PPolyproline II helixtrans-63.7146.4170.1-61.7-177.3166.500111.2K61 F62E59-K61 PolarHBondContact O-N 2.88Å; E59-F62 HydrophobicContact CB-CD2 4.12Å; E59-F62 PolarHBondContact O-N 2.87Å
60S72.8Confident76.9Confident112 Ų11287.4 Ų87.478%0.78344%0.436SS*.THydrogen-bonded Turntrans-58.2-24.4-172.858.40000114.4
61K71.5Confident77.3Confident182 Ų18288.1 Ų88.179%0.79144%0.436SS*.THydrogen-bonded Turntrans-72.1-26.5179.7-166178.7178-173.60113.4E59E59-K61 PolarHBondContact O-N 2.88Å
62F67.1Low77.7Confident69 Ų6986.3 Ų86.330%0.30343%0.429SS..THydrogen-bonded Turntrans-98.1-3.2-175.7-62.2-73.8000114E59 P64 Y203E59-F62 HydrophobicContact CB-CD2 4.12Å; E59-F62 PolarHBondContact O-N 2.87Å; F62-P64 VanDerWaalsContact O-CD 3.28Å; F62-P64 WeakPolarHBondContact O-CD 3.47Å; F62-Y203 HydrophobicContact CB-CE2 4.14Å; F62-Y203 AromaticContact CD2-CE2 4Å; F62-Y203 HydrophobicContact CD2-CE2 4Å; F62-Y203 HydrophobicContact CG-CE2 4.1Å
63I74.6Confident78.1Confident40 Ų4083.2 Ų83.221%0.20542%0.416CS..SBendtrans-79.3112.8176.4-58.3175.2000108.6M58 R65 R123M58-I63 HydrophobicContact CB-CG1 4.2Å; I63-R65 PolarHBondContact O-N 3.42Å; I63-R123 HydrophobicContact CG2-CG 4.1Å
64P72Confident78.5Confident41 Ų4180 Ų8027%0.26641%0.409SS..  trans-65.2133.4-178.726.3-32.9000110.9F62 S66 G197F62-P64 VanDerWaalsContact O-CD 3.28Å; F62-P64 WeakPolarHBondContact O-CD 3.47Å; P64-S66 PolarHBondContact O-N 2.8Å; P64-G197 WeakPolarHBondContact CG-O 3.38Å
65R74.1Confident79.1Confident247 Ų24773.6 Ų73.693%0.93239%0.385SS*.  trans-8594.1170.6-68.2-175.1179.4-178.20108.6I63I63-R65 PolarHBondContact O-N 3.42Å
66S79.4Confident79.9Confident35 Ų3573.1 Ų73.125%0.24538%0.379CS..  trans-115125.8-179.3-176.90000111.5P64 L68 Y69 G70 P196P64-S66 PolarHBondContact O-N 2.8Å; S66-L68 PolarHBondContact O-N 3.25Å; S66-L68 PolarHBondContact OG-N 3.43Å; S66-Y69 PolarHBondContact O-N 3.28Å; S66-G70 PolarHBondContact O-N 3.41Å; S66-P196 WeakPolarHBondContact CB-O 3.48Å; S66-P196 PolarHBondContact OG-O 2.93Å
67H81.8Confident80.6Confident180 Ų18073.9 Ų73.983%0.83338%0.381SS*.Hα-helixtrans-61.7-29.2173.1-69.8-83.4000112.2Y69 G70 L71H67-Y69 VanDerWaalsContact C-N 3.34Å; H67-Y69 PolarHBondContact O-N 3.3Å; H67-G70 WeakPolarHBondContact O-CA 3.16Å; H67-G70 PolarHBondContact O-N 3.37Å; H67-G70 VanDerWaalsContact O-N 3.16Å; H67-L71 PolarHBondContact O-N 3.42Å
68L83.3Confident81.2Confident66 Ų6671.9 Ų71.935%0.34637%0.367SS..Hα-helixtrans-69.7-29.7178.4-65.7173000112.7S66 L71 Q72 V191 P196S66-L68 PolarHBondContact O-N 3.25Å; S66-L68 PolarHBondContact OG-N 3.43Å; L68-L71 HydrophobicContact CD2-CD2 4.49Å; L68-L71 WeakPolarHBondContact O-CB 3.35Å; L68-L71 PolarHBondContact O-N 2.93Å; L68-Q72 WeakPolarHBondContact O-CG 3.47Å; L68-Q72 PolarHBondContact O-N 3Å; L68-V191 HydrophobicContact CB-CG1 4.4Å; L68-P196 HydrophobicContact CB-CB 3.51Å; L68-P196 HydrophobicContact CB-CG 3.63Å; L68-P196 HydrophobicContact CD1-CB 4.12Å; L68-P196 HydrophobicContact CG-CB 4.47Å
69Y84.3Confident82Confident13 Ų1371.2 Ų71.25%0.05136%0.363CS..Hα-helixtrans-69.6-37.7170.5176.3-87.4000111.2S66 H67 L71 Q72 L73 L119 R123S66-Y69 PolarHBondContact O-N 3.28Å; H67-Y69 VanDerWaalsContact C-N 3.34Å; H67-Y69 PolarHBondContact O-N 3.3Å; Y69-L71 VanDerWaalsContact C-N 3.29Å; Y69-L71 PolarHBondContact O-N 3.16Å; Y69-Q72 WeakPolarHBondContact O-CB 3.45Å; Y69-Q72 PolarHBondContact O-N 2.74Å; Y69-L73 PolarHBondContact O-N 2.97Å; Y69-L119 HydrophobicContact CE2-CD2 3.52Å; Y69-L119 HydrophobicContact CE2-CG 4.08Å; Y69-L119 VanDerWaalsContact CZ-CD2 3.5Å; Y69-L119 WeakPolarHBondContact OH-CD2 3.48Å; Y69-R123 HydrophobicContact CE2-CB 4.34Å; Y69-R123 WeakPolarHBondContact OH-CD 3.48Å
70G84.4Confident82.7Confident33 Ų3367 Ų6734%0.3435%0.345SS..Hα-helixtrans-57.6-43.9170.900000111.6S66 H67 Q72 L73 V74S66-G70 PolarHBondContact O-N 3.41Å; H67-G70 WeakPolarHBondContact O-CA 3.16Å; H67-G70 PolarHBondContact O-N 3.37Å; H67-G70 VanDerWaalsContact O-N 3.16Å; G70-Q72 PolarHBondContact O-N 3.43Å; G70-L73 PolarHBondContact O-N 3.11Å; G70-V74 WeakPolarHBondContact O-CG2 3.42Å; G70-V74 PolarHBondContact O-N 3.06Å
71L87.6Confident83.4Confident73 Ų7366.1 Ų66.138%0.38233%0.331SS..Hα-helixtrans-60.1-43.8174-175.767.6000112.3H67 L68 Y69 L73 V74 L75 V191H67-L71 PolarHBondContact O-N 3.42Å; L68-L71 HydrophobicContact CD2-CD2 4.49Å; L68-L71 WeakPolarHBondContact O-CB 3.35Å; L68-L71 PolarHBondContact O-N 2.93Å; Y69-L71 VanDerWaalsContact C-N 3.29Å; Y69-L71 PolarHBondContact O-N 3.16Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 PolarHBondContact O-N 3.37Å; L71-V74 PolarHBondContact O-N 3.3Å; L71-L75 HydrophobicContact CD1-CD1 4.36Å; L71-L75 HydrophobicContact CD1-CG 4.3Å; L71-L75 HydrophobicContact CG-CD1 3.96Å; L71-L75 HydrophobicContact CG-CG 4.32Å; L71-L75 WeakPolarHBondContact O-CB 3.42Å; L71-L75 VanDerWaalsContact O-CG 3.24Å; L71-L75 WeakPolarHBondContact O-CG 3.32Å; L71-L75 PolarHBondContact O-N 2.81Å; L71-V191 HydrophobicContact CD2-CG2 4.48Å
72Q87.4Confident84.1Confident0 Ų058.3 Ų58.30%030%0.297CS..Hα-helixtrans-59.4-43.5176-71.9175.2-47.600112.5L68 Y69 G70 L75 T76 L119 H135 V191L68-Q72 WeakPolarHBondContact O-CG 3.47Å; L68-Q72 PolarHBondContact O-N 3Å; Y69-Q72 WeakPolarHBondContact O-CB 3.45Å; Y69-Q72 PolarHBondContact O-N 2.74Å; G70-Q72 PolarHBondContact O-N 3.43Å; Q72-L75 PolarHBondContact O-N 3.23Å; Q72-T76 WeakPolarHBondContact O-CB 3.44Å; Q72-T76 PolarHBondContact O-N 3.44Å; Q72-T76 PolarHBondContact O-OG1 3.26Å; Q72-L119 HydrophobicContact CB-CD1 4.44Å; Q72-H135 PolarHBondContact NE2-NE2 2.79Å; Q72-H135 PolarHBondContact OE1-NE2 2.92Å; Q72-V191 HydrophobicContact CG-CB 4.3Å; Q72-V191 HydrophobicContact CG-CG1 3.52Å
73L88Confident84.9Confident63 Ų6355.7 Ų55.733%0.3329%0.286SS..Hα-helixtrans-62.6-47.1177.8-16592.6000110.7Y69 G70 L71 T76 I77 L116 L119Y69-L73 PolarHBondContact O-N 2.97Å; G70-L73 PolarHBondContact O-N 3.11Å; L71-L73 VanDerWaalsContact C-N 3.34Å; L71-L73 PolarHBondContact O-N 3.37Å; L73-T76 PolarHBondContact O-N 2.94Å; L73-I77 HydrophobicContact CD2-CD1 4.06Å; L73-I77 HydrophobicContact CG-CD1 3.96Å; L73-I77 VanDerWaalsContact O-CG1 3.26Å; L73-I77 WeakPolarHBondContact O-CG1 3.19Å; L73-I77 PolarHBondContact O-N 3.43Å; L73-L116 HydrophobicContact CD1-CD1 3.62Å; L73-L116 HydrophobicContact CG-CD1 4.28Å; L73-L119 HydrophobicContact CD1-CD2 4.15Å
74V90.1Very high85.3Confident81 Ų8157.6 Ų57.649%0.49130%0.296SS..Hα-helixtrans-61.5-48178.6171.80000110.7G70 L71 T76 I77 V78G70-V74 WeakPolarHBondContact O-CG2 3.42Å; G70-V74 PolarHBondContact O-N 3.06Å; L71-V74 PolarHBondContact O-N 3.3Å; V74-T76 VanDerWaalsContact C-N 3.32Å; V74-T76 PolarHBondContact O-N 3.05Å; V74-I77 PolarHBondContact O-N 2.93Å; V74-V78 HydrophobicContact CG1-CG2 4.19Å; V74-V78 WeakPolarHBondContact O-CB 3.37Å; V74-V78 VanDerWaalsContact O-CG2 3.26Å; V74-V78 WeakPolarHBondContact O-CG2 3.35Å; V74-V78 PolarHBondContact O-N 3.44Å
75L90.1Very high85.8Confident14 Ų1458.2 Ų58.27%0.07330%0.304CS..Hα-helixtrans-60.4-40.6178.5-69.9172.5000112.2L71 Q72 V78 L79 C184 L187 L188L71-L75 HydrophobicContact CD1-CD1 4.36Å; L71-L75 HydrophobicContact CD1-CG 4.3Å; L71-L75 HydrophobicContact CG-CD1 3.96Å; L71-L75 HydrophobicContact CG-CG 4.32Å; L71-L75 WeakPolarHBondContact O-CB 3.42Å; L71-L75 VanDerWaalsContact O-CG 3.24Å; L71-L75 WeakPolarHBondContact O-CG 3.32Å; L71-L75 PolarHBondContact O-N 2.81Å; Q72-L75 PolarHBondContact O-N 3.23Å; L75-V78 PolarHBondContact O-N 2.91Å; L75-L79 WeakPolarHBondContact O-CG 3.37Å; L75-L79 PolarHBondContact O-N 3.27Å; L75-C184 HydrophobicContact CD2-CB 4.23Å; L75-L187 HydrophobicContact CD1-CB 3.89Å; L75-L188 HydrophobicContact CB-CD1 3.98Å; L75-L188 HydrophobicContact CB-CG 4.46Å; L75-L188 HydrophobicContact CD1-CB 4.36Å
76T89.2Confident86.1Confident2 Ų247.1 Ų47.11%0.01227%0.267CS..Hα-helixtrans-65-41.4176.9-51.80000111.5Q72 L73 V74 L80 W112 L116Q72-T76 WeakPolarHBondContact O-CB 3.44Å; Q72-T76 PolarHBondContact O-N 3.44Å; Q72-T76 PolarHBondContact O-OG1 3.26Å; L73-T76 PolarHBondContact O-N 2.94Å; V74-T76 VanDerWaalsContact C-N 3.32Å; V74-T76 PolarHBondContact O-N 3.05Å; T76-L80 PolarHBondContact O-N 2.84Å; T76-L80 VanDerWaalsContact O-N 3.09Å; T76-W112 HydrophobicContact CG2-CE3 4.02Å; T76-L116 HydrophobicContact CG2-CB 4.18Å; T76-L116 HydrophobicContact CG2-CD1 4.06Å
77I90.3Very high86.2Confident65 Ų6548.2 Ų48.233%0.33327%0.27SS..Hα-helixtrans-68.7-41.9177.8-69165.9000111L73 V74 L79 L80 L81 L116L73-I77 HydrophobicContact CD2-CD1 4.06Å; L73-I77 HydrophobicContact CG-CD1 3.96Å; L73-I77 VanDerWaalsContact O-CG1 3.26Å; L73-I77 WeakPolarHBondContact O-CG1 3.19Å; L73-I77 PolarHBondContact O-N 3.43Å; V74-I77 PolarHBondContact O-N 2.93Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.03Å; I77-L80 PolarHBondContact O-N 3.33Å; I77-L81 HydrophobicContact CG2-CD1 3.83Å; I77-L81 HydrophobicContact CG2-CG 4.24Å; I77-L81 WeakPolarHBondContact O-CB 3.11Å; I77-L81 WeakPolarHBondContact O-CG 3.49Å; I77-L81 PolarHBondContact O-N 2.88Å; I77-L116 HydrophobicContact CG1-CD2 4.43Å
78V90.7Very high86.2Confident57 Ų5743.6 Ų43.635%0.34525%0.254SS..Hα-helixtrans-58.7-46.6176.11680000110.4V74 L75 L80 L81 Q82V74-V78 HydrophobicContact CG1-CG2 4.19Å; V74-V78 WeakPolarHBondContact O-CB 3.37Å; V74-V78 VanDerWaalsContact O-CG2 3.26Å; V74-V78 WeakPolarHBondContact O-CG2 3.35Å; V74-V78 PolarHBondContact O-N 3.44Å; L75-V78 PolarHBondContact O-N 2.91Å; V78-L80 VanDerWaalsContact C-N 3.35Å; V78-L80 PolarHBondContact O-N 3.01Å; V78-L81 PolarHBondContact O-N 3.39Å; V78-Q82 VanDerWaalsContact O-CB 3.29Å; V78-Q82 WeakPolarHBondContact O-CB 3.3Å; V78-Q82 PolarHBondContact O-N 2.62Å
79L89.1Confident86.2Confident1 Ų146.6 Ų46.61%0.00526%0.261CS..Hα-helixtrans-61.3-41.5176.6-74.1168.5000112.2L75 I77 Q82 F83 W112 R181 C184 T185 L188L75-L79 WeakPolarHBondContact O-CG 3.37Å; L75-L79 PolarHBondContact O-N 3.27Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.03Å; L79-Q82 PolarHBondContact O-N 3.26Å; L79-F83 WeakPolarHBondContact O-CD2 3.48Å; L79-F83 WeakPolarHBondContact O-CE2 3.33Å; L79-W112 HydrophobicContact CB-CD2 4.33Å; L79-W112 HydrophobicContact CD1-CE3 4.35Å; L79-W112 HydrophobicContact CD1-CH2 3.51Å; L79-W112 HydrophobicContact CD1-CZ2 3.84Å; L79-W112 HydrophobicContact CD1-CZ3 3.78Å; L79-R181 HydrophobicContact CD2-CB 4.36Å; L79-R181 HydrophobicContact CD2-CG 4.23Å; L79-C184 HydrophobicContact CD1-CB 4.04Å; L79-C184 HydrophobicContact CD2-CB 3.71Å; L79-C184 HydrophobicContact CG-CB 3.8Å; L79-T185 HydrophobicContact CD1-CG2 3.84Å; L79-T185 HydrophobicContact CD2-CG2 4.07Å; L79-L188 HydrophobicContact CD1-CD1 3.95Å
80L88.8Confident85.9Confident32 Ų3248.5 Ų48.517%0.16827%0.268CS..Hα-helixtrans-63.2-47176.3-179151.7000112.4T76 I77 V78 Q82 F83 W112 S113T76-L80 PolarHBondContact O-N 2.84Å; T76-L80 VanDerWaalsContact O-N 3.09Å; I77-L80 PolarHBondContact O-N 3.33Å; V78-L80 VanDerWaalsContact C-N 3.35Å; V78-L80 PolarHBondContact O-N 3.01Å; L80-Q82 VanDerWaalsContact C-N 3.29Å; L80-Q82 PolarHBondContact O-N 3.07Å; L80-F83 PolarHBondContact O-N 3.39Å; L80-W112 HydrophobicContact CB-CB 4.33Å; L80-S113 VanDerWaalsContact CD1-OG 3.25Å; L80-S113 WeakPolarHBondContact CD1-OG 3.47Å
81L87.2Confident85.5Confident95 Ų9548.7 Ų48.750%0.49727%0.267SS..Hα-helixtrans-67.4-32-179.5-71.6175.2000112.1I77 V78 F83 L84 A85I77-L81 HydrophobicContact CG2-CD1 3.83Å; I77-L81 HydrophobicContact CG2-CG 4.24Å; I77-L81 WeakPolarHBondContact O-CB 3.11Å; I77-L81 WeakPolarHBondContact O-CG 3.49Å; I77-L81 PolarHBondContact O-N 2.88Å; V78-L81 PolarHBondContact O-N 3.39Å; L81-F83 PolarHBondContact O-N 3.34Å; L81-L84 PolarHBondContact O-N 2.84Å; L81-A85 WeakPolarHBondContact O-CB 3.26Å; L81-A85 PolarHBondContact O-N 3.11Å
82Q87.3Confident85.1Confident17 Ų1749 Ų498%0.07928%0.28CS..Hα-helixtrans-62.8-39.8179.8-173.1-176-4.900112.9V78 L79 L80 L84 A85 G86 L177 R181V78-Q82 VanDerWaalsContact O-CB 3.29Å; V78-Q82 WeakPolarHBondContact O-CB 3.3Å; V78-Q82 PolarHBondContact O-N 2.62Å; L79-Q82 PolarHBondContact O-N 3.26Å; L80-Q82 VanDerWaalsContact C-N 3.29Å; L80-Q82 PolarHBondContact O-N 3.07Å; Q82-L84 VanDerWaalsContact C-N 3.28Å; Q82-L84 PolarHBondContact O-N 3.04Å; Q82-A85 PolarHBondContact O-N 3.03Å; Q82-G86 PolarHBondContact O-N 3.07Å; Q82-L177 HydrophobicContact CG-CD2 3.72Å; Q82-L177 VanDerWaalsContact NE2-C 3.27Å; Q82-L177 VanDerWaalsContact NE2-CA 3.27Å; Q82-L177 PolarHBondContact NE2-O 2.83Å; Q82-R181 VanDerWaalsContact OE1-CG 3.26Å
83F84.2Confident84.4Confident15 Ų1553.8 Ų53.87%0.06631%0.305CS..Hα-helixtrans-64.1-35.4176.5-69.4-67.6000112.3L79 L80 L81 L87 Y104 M109 W112L79-F83 WeakPolarHBondContact O-CD2 3.48Å; L79-F83 WeakPolarHBondContact O-CE2 3.33Å; L80-F83 PolarHBondContact O-N 3.39Å; L81-F83 PolarHBondContact O-N 3.34Å; F83-L87 PolarHBondContact O-N 3.29Å; F83-Y104 HydrophobicContact CD1-CD1 4.39Å; F83-Y104 AromaticContact CD1-CE1 3.82Å; F83-Y104 HydrophobicContact CD1-CE1 3.82Å; F83-Y104 HydrophobicContact CE1-CD1 4.44Å; F83-Y104 AromaticContact CE1-CE1 3.52Å; F83-Y104 HydrophobicContact CE1-CE1 3.52Å; F83-Y104 HydrophobicContact CE1-CE2 4.36Å; F83-Y104 AromaticContact CE1-CZ 3.48Å; F83-Y104 VanDerWaalsContact CE1-CZ 3.48Å; F83-Y104 WeakPolarHBondContact CE1-OH 3.37Å; F83-M109 HydrophobicContact CB-CG 4.11Å; F83-W112 AromaticContact CE2-CD1 3.5Å; F83-W112 AromaticContact CE2-NE1 3.49Å
84L81.9Confident83.1Confident80 Ų8054.3 Ų54.342%0.41933%0.325SS..Hα-helixtrans-71.4-43.2175.2-171.5143.3000111.3L81 Q82 G86 L87 V88 M109L81-L84 PolarHBondContact O-N 2.84Å; Q82-L84 VanDerWaalsContact C-N 3.28Å; Q82-L84 PolarHBondContact O-N 3.04Å; L84-G86 PolarHBondContact O-N 3.42Å; L84-L87 PolarHBondContact O-N 2.84Å; L84-V88 HydrophobicContact CD2-CG2 4.19Å; L84-V88 VanDerWaalsContact O-CG2 3.31Å; L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 3.26Å; L84-M109 HydrophobicContact CB-CE 4.38Å; L84-M109 HydrophobicContact CB-SD 4.22Å; L84-M109 HydrophobicContact CD1-CE 3.68Å; L84-M109 HydrophobicContact CD1-SD 4.32Å
85A82.8Confident81.8Confident53 Ų5352.3 Ų52.344%0.43832%0.322SS..Hα-helixtrans-61.9-42176.600000112.3L81 Q82 L87 V88 W89L81-A85 WeakPolarHBondContact O-CB 3.26Å; L81-A85 PolarHBondContact O-N 3.11Å; Q82-A85 PolarHBondContact O-N 3.03Å; A85-L87 PolarHBondContact O-N 3.41Å; A85-V88 PolarHBondContact O-N 3.19Å; A85-W89 WeakPolarHBondContact O-CB 3.35Å; A85-W89 PolarHBondContact O-N 3.44Å
86G81.1Confident80.8Confident15 Ų1558 Ų5816%0.15535%0.348CS..Hα-helixtrans-65.3-36.7177.100000113.5Q82 L84 R90Q82-G86 PolarHBondContact O-N 3.07Å; L84-G86 PolarHBondContact O-N 3.42Å; G86-R90 PolarHBondContact O-N 2.83Å
87L80.8Confident80.2Confident57 Ų5758.4 Ų58.430%0.29835%0.35SS..Hα-helixtrans-70.5-41.3176.1-172140.5000111.8F83 L84 A85 A91F83-L87 PolarHBondContact O-N 3.29Å; L84-L87 PolarHBondContact O-N 2.84Å; A85-L87 PolarHBondContact O-N 3.41Å; L87-A91 WeakPolarHBondContact O-CB 3.33Å; L87-A91 PolarHBondContact O-N 3.45Å
88V82.6Confident79.8Confident83 Ų8355.8 Ų55.850%0.50334%0.337SS..Hα-helixtrans-67.2-40.3176.5172.50000111.4L84 A85 A91 A92L84-V88 HydrophobicContact CD2-CG2 4.19Å; L84-V88 VanDerWaalsContact O-CG2 3.31Å; L84-V88 WeakPolarHBondContact O-CG2 3.47Å; L84-V88 PolarHBondContact O-N 3.26Å; A85-V88 PolarHBondContact O-N 3.19Å; V88-A91 PolarHBondContact O-N 2.69Å; V88-A92 WeakPolarHBondContact O-CB 3.35Å; V88-A92 PolarHBondContact O-N 3.16Å
89W82.8Confident79.3Confident130 Ų13053.7 Ų53.749%0.49233%0.327SS..Hα-helixtrans-59.9-52.6176176.3-96000111.7A85 A91 A92 D93 V173A85-W89 WeakPolarHBondContact O-CB 3.35Å; A85-W89 PolarHBondContact O-N 3.44Å; W89-A91 PolarHBondContact O-N 2.86Å; W89-A92 PolarHBondContact O-N 3.45Å; W89-D93 PolarHBondContact O-N 3.05Å; W89-V173 HydrophobicContact CG-CG1 4.46Å; W89-V173 HydrophobicContact CZ2-CG2 4.14Å
90R77.5Confident79.1Confident52 Ų5254.1 Ų54.120%0.19633%0.329CS..Hα-helixtrans-62.8-28.6177.5-78.3-172.1175.4162.1-8113G86 L97 E174G86-R90 PolarHBondContact O-N 2.83Å; R90-L97 HydrophobicContact CB-CD2 4.09Å; R90-E174 IonicContact CZ-OE1 2.68Å; R90-E174 IonicContact NE-OE1 3.67Å; R90-E174 IonicContact NH2-OE1 3.13Å; R90-E174 PolarHBondContact NH2-OE1 3.48Å; R90-E174 IonicContact NH2-OE2 2.71Å; R90-E174 PolarHBondContact NH2-OE2 3.06Å
91A77.2Confident78.9Confident38 Ų3853 Ų5331%0.31432%0.323SS..Hα-helixtrans-74.6-28.4172.900000113.4L87 V88 W89 L97L87-A91 WeakPolarHBondContact O-CB 3.33Å; L87-A91 PolarHBondContact O-N 3.45Å; V88-A91 PolarHBondContact O-N 2.69Å; W89-A91 PolarHBondContact O-N 2.86Å; A91-L97 HydrophobicContact CB-CD1 3.83Å
92A77.4Confident78.8Confident80 Ų8050.9 Ų50.966%0.66131%0.314SS*.Hα-helixtrans-85.1-30-177.500000113.2V88 W89 G94V88-A92 WeakPolarHBondContact O-CB 3.35Å; V88-A92 PolarHBondContact O-N 3.16Å; W89-A92 PolarHBondContact O-N 3.45Å; A92-G94 PolarHBondContact O-N 2.95Å
93D73.9Confident78.8Confident100 Ų10052.2 Ų52.254%0.53532%0.322SS..THydrogen-bonded Turntrans-73.29.6-179-156.628000113.8W89 G95W89-D93 PolarHBondContact O-N 3.05Å; D93-G95 PolarHBondContact O-N 3.32Å
94G60.2Low79Confident73 Ų7352.6 Ų52.675%0.75332%0.323SS*.THydrogen-bonded Turntrans68.34.9175.500000115.5A92A92-G94 PolarHBondContact O-N 2.95Å
95G63Low79.2Confident40 Ų4049 Ų4941%0.41231%0.305SS..  trans-80.4157.3179.900000114.4D93D93-G95 PolarHBondContact O-N 3.32Å
96E70Confident79.5Confident132 Ų13249.3 Ų49.362%0.61730%0.304SS*.  trans-62.7135.7172.2-61.4-178154.800110.3Q5 P98Q5-E96 PolarHBondContact NE2-OE1 2.8Å; Q5-E96 PolarHBondContact OE1-OE2 2.99Å; E96-P98 VanDerWaalsContact O-CD 3.3Å; E96-P98 WeakPolarHBondContact O-CD 3.4Å
97L76.1Confident80Confident12 Ų1251.7 Ų51.76%0.06331%0.31CS..  trans-102.3105-178.6-94.6157000110.2V2 R90 A91 V101V2-L97 HydrophobicContact CG1-CB 4.19Å; V2-L97 HydrophobicContact CG1-CD1 3.44Å; V2-L97 VanDerWaalsContact CG1-CD1 3.44Å; V2-L97 HydrophobicContact CG1-CG 4.36Å; R90-L97 HydrophobicContact CB-CD2 4.09Å; A91-L97 HydrophobicContact CB-CD1 3.83Å; L97-V101 HydrophobicContact CD2-CG1 4.28Å
98P80.8Confident80.3Confident9 Ų949.2 Ų49.26%0.05830%0.297CS..  trans-71147.3177.731.1-38.7000111.6E9 E96 Y100 V101E9-P98 HydrophobicContact CG-CB 3.85Å; E9-P98 HydrophobicContact CG-CG 3.83Å; E9-P98 WeakPolarHBondContact OE1-CG 3.34Å; E96-P98 VanDerWaalsContact O-CD 3.3Å; E96-P98 WeakPolarHBondContact O-CD 3.4Å; P98-Y100 VanDerWaalsContact C-N 3.32Å; P98-Y100 HydrophobicContact CB-CD1 3.8Å; P98-Y100 HydrophobicContact CB-CE1 3.65Å; P98-Y100 HydrophobicContact CG-CD1 4.03Å; P98-Y100 HydrophobicContact CG-CE1 3.53Å; P98-Y100 PolarHBondContact O-N 2.67Å; P98-V101 HydrophobicContact CG-CB 4.28Å; P98-V101 HydrophobicContact CG-CG2 3.62Å; P98-V101 PolarHBondContact O-N 3.3Å; P98-V101 VanDerWaalsContact O-N 3.17Å
99G81.4Confident80.7Confident14 Ų1448 Ų4814%0.14429%0.286CS..Hα-helixtrans-59.1-34.7-173.400000115Y7 V101 V102 L103Y7-G99 PolarHBondContact O-N 3.15Å; G99-V101 VanDerWaalsContact C-N 3.27Å; G99-V101 PolarHBondContact O-N 3.2Å; G99-V102 PolarHBondContact O-N 3.41Å; G99-L103 PolarHBondContact O-N 3.42Å
100Y84.9Confident81Confident10 Ų1046.6 Ų46.64%0.03929%0.288CS..Hα-helixtrans-65.1-28.418078.1-91.2000113.5Y7 E9 C26 F29 P98 Y104Y7-Y100 VanDerWaalsContact O-CD1 3.32Å; Y7-Y100 WeakPolarHBondContact O-CD1 3.25Å; Y7-Y100 PolarHBondContact O-N 3.25Å; E9-Y100 HydrophobicContact CG-CE1 4.25Å; C26-Y100 HydrophobicContact CB-CD1 4.13Å; C26-Y100 HydrophobicContact CB-CE1 4.47Å; C26-Y100 HydrophobicContact CB-CG 4.3Å; F29-Y100 HydrophobicContact CB-CD2 4.01Å; F29-Y100 HydrophobicContact CB-CE2 4.38Å; F29-Y100 HydrophobicContact CD2-CD2 4.32Å; F29-Y100 AromaticContact CD2-CE2 3.83Å; F29-Y100 HydrophobicContact CD2-CE2 3.83Å; F29-Y100 HydrophobicContact CG-CE2 4.5Å; P98-Y100 VanDerWaalsContact C-N 3.32Å; P98-Y100 HydrophobicContact CB-CD1 3.8Å; P98-Y100 HydrophobicContact CB-CE1 3.65Å; P98-Y100 HydrophobicContact CG-CD1 4.03Å; P98-Y100 HydrophobicContact CG-CE1 3.53Å; P98-Y100 PolarHBondContact O-N 2.67Å; Y100-Y104 VanDerWaalsContact O-CB 3.25Å; Y100-Y104 WeakPolarHBondContact O-CB 3.42Å; Y100-Y104 PolarHBondContact O-N 3.37Å
101V84.5Confident81.5Confident8 Ų844.2 Ų44.25%0.04828%0.28CS..Hα-helixtrans-72.6-39.8-179.4172.40000110.8L97 P98 G99 Y104 G105L97-V101 HydrophobicContact CD2-CG1 4.28Å; P98-V101 HydrophobicContact CG-CB 4.28Å; P98-V101 HydrophobicContact CG-CG2 3.62Å; P98-V101 PolarHBondContact O-N 3.3Å; P98-V101 VanDerWaalsContact O-N 3.17Å; G99-V101 VanDerWaalsContact C-N 3.27Å; G99-V101 PolarHBondContact O-N 3.2Å; V101-Y104 PolarHBondContact O-N 2.64Å; V101-G105 PolarHBondContact O-N 3.03Å
102V85.3Confident82.2Confident51 Ų5142.7 Ų42.731%0.30927%0.266SS..Hα-helixtrans-64.1-46.5174.8-178.70000110G99 G105 C106G99-V102 PolarHBondContact O-N 3.41Å; V102-G105 PolarHBondContact O-N 3.4Å; V102-C106 PolarHBondContact O-N 2.98Å; V102-C106 PolarHBondContact O-SG 3.31Å; V102-C106 VanDerWaalsContact O-SG 3.37Å
103L86.9Confident82.8Confident45 Ų4541.5 Ų41.524%0.23625%0.253CS..Hα-helixtrans-61.2-46.6177.4-174.3143.2000111.8Y7 T30 G99 G105 C106 F107Y7-L103 HydrophobicContact CE2-CD1 4.37Å; T30-L103 HydrophobicContact CG2-CD2 4.29Å; G99-L103 PolarHBondContact O-N 3.42Å; L103-G105 PolarHBondContact O-N 3.03Å; L103-C106 PolarHBondContact O-N 3Å; L103-F107 HydrophobicContact CD1-CE2 4.41Å; L103-F107 HydrophobicContact CD1-CZ 4.37Å; L103-F107 HydrophobicContact CD2-CD2 3.9Å; L103-F107 HydrophobicContact CD2-CE2 4.11Å; L103-F107 HydrophobicContact CD2-CG 4.32Å; L103-F107 HydrophobicContact CG-CD2 4.28Å; L103-F107 HydrophobicContact CG-CE1 4.47Å; L103-F107 HydrophobicContact CG-CE2 4.22Å; L103-F107 HydrophobicContact CG-CG 4.44Å; L103-F107 HydrophobicContact CG-CZ 4.32Å; L103-F107 WeakPolarHBondContact O-CB 3.39Å; L103-F107 PolarHBondContact O-N 3.07Å
104Y87.4Confident83.6Confident22 Ų2241.2 Ų41.29%0.08625%0.245CC..Hα-helixtrans-58.2-45.4177.1177-112.5000112.3F29 F83 Y100 V101 S108 R181F29-Y104 HydrophobicContact CB-CD2 3.9Å; F29-Y104 HydrophobicContact CB-CE2 4.47Å; F29-Y104 HydrophobicContact CB-CG 4.03Å; F29-Y104 HydrophobicContact CD1-CD1 4.14Å; F29-Y104 AromaticContact CD1-CD2 3.83Å; F29-Y104 HydrophobicContact CD1-CD2 3.83Å; F29-Y104 AromaticContact CD1-CE1 3.85Å; F29-Y104 HydrophobicContact CD1-CE1 3.85Å; F29-Y104 AromaticContact CD1-CE2 3.58Å; F29-Y104 HydrophobicContact CD1-CE2 3.58Å; F29-Y104 HydrophobicContact CD1-CG 4.11Å; F29-Y104 AromaticContact CD1-CZ 3.55Å; F29-Y104 HydrophobicContact CE1-CE1 4.11Å; F29-Y104 HydrophobicContact CE1-CE2 4.34Å; F29-Y104 AromaticContact CE1-CZ 3.88Å; F29-Y104 HydrophobicContact CG-CD2 4.31Å; F29-Y104 HydrophobicContact CG-CE2 4.48Å; F29-Y104 HydrophobicContact CG-CG 4.37Å; F29-Y104 WeakPolarHBondContact O-CD2 3.42Å; F83-Y104 HydrophobicContact CD1-CD1 4.39Å; F83-Y104 AromaticContact CD1-CE1 3.82Å; F83-Y104 HydrophobicContact CD1-CE1 3.82Å; F83-Y104 HydrophobicContact CE1-CD1 4.44Å; F83-Y104 AromaticContact CE1-CE1 3.52Å; F83-Y104 HydrophobicContact CE1-CE1 3.52Å; F83-Y104 HydrophobicContact CE1-CE2 4.36Å; F83-Y104 AromaticContact CE1-CZ 3.48Å; F83-Y104 VanDerWaalsContact CE1-CZ 3.48Å; F83-Y104 WeakPolarHBondContact CE1-OH 3.37Å; Y100-Y104 VanDerWaalsContact O-CB 3.25Å; Y100-Y104 WeakPolarHBondContact O-CB 3.42Å; Y100-Y104 PolarHBondContact O-N 3.37Å; V101-Y104 PolarHBondContact O-N 2.64Å; Y104-S108 WeakPolarHBondContact O-CB 3.44Å; Y104-S108 PolarHBondContact O-N 2.84Å; Y104-S108 PolarHBondContact O-OG 3.23Å; Y104-R181 PolarHBondContact OH-NH1 3.2Å; Y104-R181 VanDerWaalsContact OH-NH1 3.16Å
105G86.2Confident84.9Confident4 Ų437.8 Ų37.84%0.04121%0.209CC..Hα-helixtrans-60.9-52.7176.500000112.2V101 V102 L103 M109V101-G105 PolarHBondContact O-N 3.03Å; V102-G105 PolarHBondContact O-N 3.4Å; L103-G105 PolarHBondContact O-N 3.03Å; G105-M109 WeakPolarHBondContact O-CB 3.26Å; G105-M109 VanDerWaalsContact O-CG 3.25Å; G105-M109 WeakPolarHBondContact O-CG 3.46Å; G105-M109 PolarHBondContact O-N 3.34Å
106C89.3Confident86.2Confident61 Ų6138.2 Ų38.241%0.41220%0.201SC..Hα-helixtrans-62.4-46.9-178.5-69.10000112.8V102 L103 M109 L110V102-C106 PolarHBondContact O-N 2.98Å; V102-C106 PolarHBondContact O-SG 3.31Å; V102-C106 VanDerWaalsContact O-SG 3.37Å; L103-C106 PolarHBondContact O-N 3Å; C106-M109 PolarHBondContact O-N 3.28Å; C106-L110 WeakPolarHBondContact O-CG 3.49Å; C106-L110 PolarHBondContact O-N 2.93Å
107F91.6Very high87Confident64 Ų6433.5 Ų33.528%0.28119%0.188SC..Hα-helixtrans-70.9-37.5-176.3-79.919.6000111.8T34 L37 L103 L110 G111T34-F107 HydrophobicContact CG2-CD2 3.89Å; T34-F107 HydrophobicContact CG2-CE2 3.75Å; L37-F107 HydrophobicContact CD2-CB 4.06Å; L37-F107 HydrophobicContact CD2-CD1 3.97Å; L37-F107 HydrophobicContact CD2-CD2 3.85Å; L37-F107 HydrophobicContact CD2-CE1 4.37Å; L37-F107 HydrophobicContact CD2-CE2 4.25Å; L37-F107 HydrophobicContact CD2-CG 3.69Å; L37-F107 HydrophobicContact CD2-CZ 4.49Å; L103-F107 HydrophobicContact CD1-CE2 4.41Å; L103-F107 HydrophobicContact CD1-CZ 4.37Å; L103-F107 HydrophobicContact CD2-CD2 3.9Å; L103-F107 HydrophobicContact CD2-CE2 4.11Å; L103-F107 HydrophobicContact CD2-CG 4.32Å; L103-F107 HydrophobicContact CG-CD2 4.28Å; L103-F107 HydrophobicContact CG-CE1 4.47Å; L103-F107 HydrophobicContact CG-CE2 4.22Å; L103-F107 HydrophobicContact CG-CG 4.44Å; L103-F107 HydrophobicContact CG-CZ 4.32Å; L103-F107 WeakPolarHBondContact O-CB 3.39Å; L103-F107 PolarHBondContact O-N 3.07Å; F107-L110 PolarHBondContact O-N 3.11Å; F107-G111 PolarHBondContact O-N 3.19Å
108S88.1Confident87.5Confident5 Ų533 Ų334%0.03519%0.186CC..Hα-helixtrans-66.9-41.9175.1-57.20000111.3Y104 L110 G111 W112Y104-S108 WeakPolarHBondContact O-CB 3.44Å; Y104-S108 PolarHBondContact O-N 2.84Å; Y104-S108 PolarHBondContact O-OG 3.23Å; S108-L110 VanDerWaalsContact C-N 3.35Å; S108-L110 PolarHBondContact O-N 3.5Å; S108-G111 PolarHBondContact O-N 3.45Å; S108-W112 WeakPolarHBondContact O-CB 3.36Å; S108-W112 PolarHBondContact O-N 3.16Å
109M89.4Confident87.8Confident57 Ų5732.7 Ų32.728%0.28118%0.184SC..Hα-helixtrans-59.2-44.6174.5-77.1179.57100112.2F83 L84 G105 C106 S113F83-M109 HydrophobicContact CB-CG 4.11Å; L84-M109 HydrophobicContact CB-CE 4.38Å; L84-M109 HydrophobicContact CB-SD 4.22Å; L84-M109 HydrophobicContact CD1-CE 3.68Å; L84-M109 HydrophobicContact CD1-SD 4.32Å; G105-M109 WeakPolarHBondContact O-CB 3.26Å; G105-M109 VanDerWaalsContact O-CG 3.25Å; G105-M109 WeakPolarHBondContact O-CG 3.46Å; G105-M109 PolarHBondContact O-N 3.34Å; C106-M109 PolarHBondContact O-N 3.28Å; M109-S113 VanDerWaalsContact O-CB 3.25Å; M109-S113 WeakPolarHBondContact O-CB 3.48Å; M109-S113 PolarHBondContact O-N 2.7Å; M109-S113 PolarHBondContact O-OG 2.99Å
110L90.6Very high88Confident101 Ų10138.4 Ų38.453%0.52920%0.201SC..Hα-helixtrans-64.3-44.8176.8-72.1171.8000111.8L37 C106 F107 S108 S113 W114L37-L110 HydrophobicContact CD1-CB 3.72Å; C106-L110 WeakPolarHBondContact O-CG 3.49Å; C106-L110 PolarHBondContact O-N 2.93Å; F107-L110 PolarHBondContact O-N 3.11Å; S108-L110 VanDerWaalsContact C-N 3.35Å; S108-L110 PolarHBondContact O-N 3.5Å; L110-S113 PolarHBondContact O-N 2.85Å; L110-W114 WeakPolarHBondContact O-CB 3.32Å; L110-W114 PolarHBondContact O-N 2.99Å
111G87.9Confident88Confident2 Ų238.8 Ų38.82%0.02120%0.204CC..Hα-helixtrans-61.9-47.4179.100000112.8C40 F107 S108 W114 A115C40-G111 PolarHBondContact SG-O 3.2Å; F107-G111 PolarHBondContact O-N 3.19Å; S108-G111 PolarHBondContact O-N 3.45Å; G111-W114 PolarHBondContact O-N 2.94Å; G111-A115 PolarHBondContact O-N 3.03Å
112W91.3Very high87.9Confident6 Ų638.6 Ų38.62%0.02320%0.203CC..Hα-helixtrans-71.6-33.3179-74.4106.6000113T76 L79 L80 F83 S108 W114 A115 L116 F142 A146 T185 L188T76-W112 HydrophobicContact CG2-CE3 4.02Å; L79-W112 HydrophobicContact CB-CD2 4.33Å; L79-W112 HydrophobicContact CD1-CE3 4.35Å; L79-W112 HydrophobicContact CD1-CH2 3.51Å; L79-W112 HydrophobicContact CD1-CZ2 3.84Å; L79-W112 HydrophobicContact CD1-CZ3 3.78Å; L80-W112 HydrophobicContact CB-CB 4.33Å; F83-W112 AromaticContact CE2-CD1 3.5Å; F83-W112 AromaticContact CE2-NE1 3.49Å; S108-W112 WeakPolarHBondContact O-CB 3.36Å; S108-W112 PolarHBondContact O-N 3.16Å; W112-W114 VanDerWaalsContact C-N 3.32Å; W112-W114 PolarHBondContact O-N 3.31Å; W112-A115 PolarHBondContact O-N 3.26Å; W112-L116 PolarHBondContact O-N 3.04Å; W112-F142 HydrophobicContact CD2-CE1 4.05Å; W112-F142 HydrophobicContact CD2-CZ 4.04Å; W112-F142 AromaticContact CE3-CE1 3.76Å; W112-F142 HydrophobicContact CE3-CE1 3.76Å; W112-F142 HydrophobicContact CE3-CZ 4.23Å; W112-F142 HydrophobicContact CG-CZ 4.49Å; W112-F142 AromaticContact CH2-CE1 3.95Å; W112-F142 HydrophobicContact CH2-CE1 3.95Å; W112-F142 HydrophobicContact CZ2-CE1 4.22Å; W112-F142 HydrophobicContact CZ2-CZ 4.35Å; W112-F142 AromaticContact CZ3-CE1 3.73Å; W112-F142 HydrophobicContact CZ3-CE1 3.73Å; W112-F142 HydrophobicContact CZ3-CZ 4.48Å; W112-A146 HydrophobicContact CH2-CB 4.28Å; W112-A146 HydrophobicContact CZ2-CB 3.99Å; W112-T185 HydrophobicContact CH2-CG2 4.12Å; W112-T185 HydrophobicContact CZ2-CG2 3.98Å; W112-L188 HydrophobicContact CH2-CD1 4.46Å; W112-L188 HydrophobicContact CZ3-CD1 3.99Å
113S90Very high87.7Confident56 Ų5640 Ų4039%0.39220%0.203SC..Hα-helixtrans-61.6-42.2171.6-61.30000111.5L80 M109 L110 L116 G117L80-S113 VanDerWaalsContact CD1-OG 3.25Å; L80-S113 WeakPolarHBondContact CD1-OG 3.47Å; M109-S113 VanDerWaalsContact O-CB 3.25Å; M109-S113 WeakPolarHBondContact O-CB 3.48Å; M109-S113 PolarHBondContact O-N 2.7Å; M109-S113 PolarHBondContact O-OG 2.99Å; L110-S113 PolarHBondContact O-N 2.85Å; S113-L116 WeakPolarHBondContact O-CB 3.31Å; S113-L116 PolarHBondContact O-N 3.06Å; S113-G117 PolarHBondContact O-N 3.26Å; S113-G117 VanDerWaalsContact O-N 3.15Å
114W89.9Confident87.3Confident94 Ų9444.3 Ų44.336%0.35622%0.216SC..Hα-helixtrans-69-40178.4-163.6-101.1000112.2C40 T45 L110 G111 W112 L116 G117 V118C40-W114 PolarHBondContact O-NE1 3.22Å; T45-W114 HydrophobicContact CG2-CH2 4.06Å; T45-W114 HydrophobicContact CG2-CZ2 3.32Å; L110-W114 WeakPolarHBondContact O-CB 3.32Å; L110-W114 PolarHBondContact O-N 2.99Å; G111-W114 PolarHBondContact O-N 2.94Å; W112-W114 VanDerWaalsContact C-N 3.32Å; W112-W114 PolarHBondContact O-N 3.31Å; W114-L116 VanDerWaalsContact C-N 3.28Å; W114-L116 PolarHBondContact O-N 2.84Å; W114-G117 WeakPolarHBondContact O-CA 3.42Å; W114-G117 PolarHBondContact O-N 3.07Å; W114-V118 WeakPolarHBondContact O-CG2 3.37Å; W114-V118 PolarHBondContact O-N 2.84Å
115A88.1Confident86.8Confident1 Ų147.6 Ų47.61%0.00823%0.228CC..Hα-helixtrans-59.4-38.8174.300000112.1C40 G111 W112 G117 V118 L119 L139 F142C40-A115 PolarHBondContact SG-N 3.12Å; C40-A115 VanDerWaalsContact SG-N 3.42Å; G111-A115 PolarHBondContact O-N 3.03Å; W112-A115 PolarHBondContact O-N 3.26Å; A115-G117 VanDerWaalsContact C-N 3.35Å; A115-V118 PolarHBondContact O-N 2.92Å; A115-L119 WeakPolarHBondContact O-CB 3.1Å; A115-L119 PolarHBondContact O-N 3.03Å; A115-L139 HydrophobicContact CB-CD1 4.17Å; A115-F142 HydrophobicContact CB-CD1 3.92Å; A115-F142 HydrophobicContact CB-CE1 3.59Å; A115-F142 HydrophobicContact CB-CZ 4.25Å
116L89.6Confident86.1Confident48 Ų4847.8 Ų47.825%0.25123%0.229SC..Hα-helixtrans-63.4-40173.7-171.467.9000111.9L73 T76 I77 W112 S113 W114 L119 W120L73-L116 HydrophobicContact CD1-CD1 3.62Å; L73-L116 HydrophobicContact CG-CD1 4.28Å; T76-L116 HydrophobicContact CG2-CB 4.18Å; T76-L116 HydrophobicContact CG2-CD1 4.06Å; I77-L116 HydrophobicContact CG1-CD2 4.43Å; W112-L116 PolarHBondContact O-N 3.04Å; S113-L116 WeakPolarHBondContact O-CB 3.31Å; S113-L116 PolarHBondContact O-N 3.06Å; W114-L116 VanDerWaalsContact C-N 3.28Å; W114-L116 PolarHBondContact O-N 2.84Å; L116-L119 PolarHBondContact O-N 3.19Å; L116-W120 PolarHBondContact O-N 3.33Å
117G87.3Confident85.1Confident33 Ų3346.2 Ų46.234%0.3422%0.218SC..Hα-helixtrans-62.4-45.2174.500000113S113 W114 A115 W120 V121S113-G117 PolarHBondContact O-N 3.26Å; S113-G117 VanDerWaalsContact O-N 3.15Å; W114-G117 WeakPolarHBondContact O-CA 3.42Å; W114-G117 PolarHBondContact O-N 3.07Å; A115-G117 VanDerWaalsContact C-N 3.35Å; G117-W120 WeakPolarHBondContact O-CB 3.39Å; G117-W120 PolarHBondContact O-N 2.67Å; G117-V121 WeakPolarHBondContact O-CG2 3.48Å; G117-V121 PolarHBondContact O-N 2.93Å
118V86.3Confident83.5Confident3 Ų348.5 Ų48.52%0.01823%0.232CC..Hα-helixtrans-62.6-45.2176.6175.20000111.1W114 A115 W120 V121 E122 L139W114-V118 WeakPolarHBondContact O-CG2 3.37Å; W114-V118 PolarHBondContact O-N 2.84Å; A115-V118 PolarHBondContact O-N 2.92Å; V118-W120 PolarHBondContact O-N 3.33Å; V118-V121 PolarHBondContact O-N 2.79Å; V118-V121 VanDerWaalsContact O-N 3.13Å; V118-E122 PolarHBondContact O-N 3.4Å; V118-L139 HydrophobicContact CG1-CD1 4.41Å
119L87.1Confident81.9Confident1 Ų157.2 Ų57.21%0.00528%0.275CS..Hα-helixtrans-60.9-33.9177.3-176.1141.9000112.2Y69 Q72 L73 A115 L116 R123 L139 W143Y69-L119 HydrophobicContact CE2-CD2 3.52Å; Y69-L119 HydrophobicContact CE2-CG 4.08Å; Y69-L119 VanDerWaalsContact CZ-CD2 3.5Å; Y69-L119 WeakPolarHBondContact OH-CD2 3.48Å; Q72-L119 HydrophobicContact CB-CD1 4.44Å; L73-L119 HydrophobicContact CD1-CD2 4.15Å; A115-L119 WeakPolarHBondContact O-CB 3.1Å; A115-L119 PolarHBondContact O-N 3.03Å; L116-L119 PolarHBondContact O-N 3.19Å; L119-R123 PolarHBondContact O-N 2.91Å; L119-L139 HydrophobicContact CB-CD2 4.13Å; L119-L139 HydrophobicContact CD1-CD2 4.2Å; L119-L139 HydrophobicContact CG-CD2 4.49Å; L119-W143 HydrophobicContact CD1-CH2 3.93Å; L119-W143 HydrophobicContact CD1-CZ2 3.76Å
120W86.3Confident79.9Confident135 Ų13559.8 Ų59.851%0.51129%0.289SS..Hα-helixtrans-70.6-40.7173.9-176.992.6000113.1L116 G117 V118 R123 R124L116-W120 PolarHBondContact O-N 3.33Å; G117-W120 WeakPolarHBondContact O-CB 3.39Å; G117-W120 PolarHBondContact O-N 2.67Å; V118-W120 PolarHBondContact O-N 3.33Å; W120-R123 PolarHBondContact O-N 2.73Å; W120-R124 PolarHBondContact O-N 2.95Å
121V85.1Confident78.2Confident18 Ų1865.6 Ų65.611%0.10930%0.304CS..Hα-helixtrans-64.6-45.1177.6171.40000111.1Y51 G117 V118 R123 R124 R125Y51-V121 HydrophobicContact CD1-CG1 4.34Å; Y51-V121 HydrophobicContact CG-CG1 4.4Å; G117-V121 WeakPolarHBondContact O-CG2 3.48Å; G117-V121 PolarHBondContact O-N 2.93Å; V118-V121 PolarHBondContact O-N 2.79Å; V118-V121 VanDerWaalsContact O-N 3.13Å; V121-R123 VanDerWaalsContact C-N 3.28Å; V121-R123 PolarHBondContact O-N 2.69Å; V121-R124 PolarHBondContact O-N 2.77Å; V121-R124 VanDerWaalsContact O-N 3.08Å; V121-R125 PolarHBondContact O-N 3.45Å
122E81.3Confident76.6Confident3 Ų366.6 Ų66.61%0.01431%0.31CS..Hα-helixtrans-58.3-37.9178.2-78.7-176.8-170.600113.2H47 V118 R124 H135 S136 L198H47-E122 IonicContact CE1-OE1 2.76Å; V118-E122 PolarHBondContact O-N 3.4Å; E122-R124 VanDerWaalsContact C-N 3.25Å; E122-R124 PolarHBondContact O-N 2.97Å; E122-H135 IonicContact OE2-CE1 2.69Å; E122-H135 IonicContact OE2-CG 3.7Å; E122-H135 IonicContact OE2-ND1 3.56Å; E122-H135 PolarHBondContact OE2-ND1 2.88Å; E122-S136 WeakPolarHBondContact OE1-CA 3.5Å; E122-S136 WeakPolarHBondContact OE1-CB 3.23Å; E122-S136 PolarHBondContact OE1-N 2.83Å; E122-S136 PolarHBondContact OE1-OG 3.07Å; E122-L198 WeakPolarHBondContact O-CD2 3.49Å
123R81.5Confident74.9Confident81 Ų8177.7 Ų77.731%0.30635%0.352SS..Hα-helixtrans-69.8-24.5179.2-175.9168.7-179.4-157.35.4112.9M58 I63 Y69 L119 W120 V121M58-R123 WeakPolarHBondContact CE-O 3.37Å; I63-R123 HydrophobicContact CG2-CG 4.1Å; Y69-R123 HydrophobicContact CE2-CB 4.34Å; Y69-R123 WeakPolarHBondContact OH-CD 3.48Å; L119-R123 PolarHBondContact O-N 2.91Å; W120-R123 PolarHBondContact O-N 2.73Å; V121-R123 VanDerWaalsContact C-N 3.28Å; V121-R123 PolarHBondContact O-N 2.69Å
124R79Confident73.8Confident135 Ų13576.3 Ų76.351%0.50935%0.347SS..Hα-helixtrans-103.8-21.1-173.4-71.7-171.6175-156.40.6114P57 M58 W120 V121 E122P57-R124 WeakPolarHBondContact CA-O 3.47Å; M58-R124 PolarHBondContact N-O 3.42Å; W120-R124 PolarHBondContact O-N 2.95Å; V121-R124 PolarHBondContact O-N 2.77Å; V121-R124 VanDerWaalsContact O-N 3.08Å; E122-R124 VanDerWaalsContact C-N 3.25Å; E122-R124 PolarHBondContact O-N 2.97Å
125R77.8Confident73.2Confident91 Ų9172.5 Ų72.534%0.34333%0.333SS..EExtended strand (participates in β ladder)trans-132.9140.6-176.2-63.4-169.7-177.8-1533.5112Y51 Q52 T56 V121Y51-R125 HydrophobicContact CD1-CB 4.16Å; Y51-R125 WeakPolarHBondContact CD1-O 3.48Å; Y51-R125 VanDerWaalsContact CE1-O 3.28Å; Y51-R125 WeakPolarHBondContact CE1-O 3.34Å; Y51-R125 WeakPolarHBondContact O-CD 3.42Å; Q52-R125 PolarHBondContact O-NH1 2.97Å; T56-R125 VanDerWaalsContact O-CA 3.3Å; T56-R125 WeakPolarHBondContact O-CA 3.44Å; V121-R125 PolarHBondContact O-N 3.45Å
126V71.3Confident72.8Confident9 Ų973 Ų736%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-128.3132.8177.9177.60000110.3G55 T56 M58G55-V126 WeakPolarHBondContact CA-O 3.49Å; T56-V126 PolarHBondContact N-O 3.04Å; T56-V126 PolarHBondContact O-N 3.18Å; T56-V126 PolarHBondContact OG1-O 2.88Å; M58-V126 HydrophobicContact CE-CG2 3.26Å; M58-V126 HydrophobicContact CG-CB 4.43Å; M58-V126 HydrophobicContact CG-CG2 3.67Å; M58-V126 HydrophobicContact SD-CG2 3.48Å; M58-V126 WeakPolarHBondContact SD-CG2 3.45Å
127P67.4Low72.3Confident28 Ų2876.1 Ų76.118%0.18236%0.358CS..EExtended strand (participates in β ladder)trans-76.1140.2170.629.1-31.8000111Y51 M129 D130Y51-P127 HydrophobicContact CE1-CG 4.37Å; Y51-P127 HydrophobicContact CE2-CG 4.13Å; P127-M129 PolarHBondContact O-N 3.27Å; P127-D130 HydrophobicContact CG-CB 4.42Å
128L57.6Low72.1Confident111 Ų11175.1 Ų75.158%0.58135%0.346SS*.THydrogen-bonded Turntrans-62.4-12.7-175.6-78.6155.8000115.2T56 I204T56-L128 HydrophobicContact CG2-CD1 4.31Å; T56-L128 HydrophobicContact CG2-CG 4.43Å; L128-I204 HydrophobicContact CD2-CD1 4.03Å; L128-I204 WeakPolarHBondContact O-CD1 3.45Å
129M55.1Low72.1Confident189 Ų18975.1 Ų75.193%0.93135%0.346SS*.THydrogen-bonded Turntrans-117.62.1-162.4-145.5157.2155.400114.9P127P127-M129 PolarHBondContact O-N 3.27Å
130D47.7Very low72.1Confident110 Ų11076.9 Ų76.959%0.58836%0.355SS*.  trans-112.6143.7-172.6-141.4-9.3000115.8P127 T132P127-D130 HydrophobicContact CG-CB 4.42Å; D130-T132 PolarHBondContact O-N 3.35Å
131R55.7Low72.1Confident224 Ų22473 Ų7385%0.84535%0.346SS*.  trans-78.393.5177.3-100.4174.1160.7171.4-4.3108.7R133R131-R133 PolarHBondContact O-N 2.92Å
132T52.8Low72.4Confident23 Ų2372.2 Ų72.214%0.14134%0.341CS..  trans-71.190.4-179.3520000112.5D130 P199D130-T132 PolarHBondContact O-N 3.35Å; T132-P199 PolarHBondContact OG1-O 2.84Å
133R55.7Low72.9Confident238 Ų23872.2 Ų72.290%0.89834%0.341SS*.SBendtrans-108.2-3.3160.5-85.6-170.7172.2-175.5-1.8113.6R131R131-R133 PolarHBondContact O-N 2.92Å
134G66.7Low73.2Confident28 Ų2869.8 Ų69.829%0.28934%0.338SS..SBendtrans-159.9172.1-173.900000114.8A195 L198G134-A195 VanDerWaalsContact C-CB 3.49Å; G134-A195 VanDerWaalsContact CA-CB 3.5Å; G134-L198 WeakPolarHBondContact O-CD1 3.02Å
135H78.8Confident73.7Confident13 Ų1368.4 Ų68.46%0.0634%0.336CS..SBendtrans-62.8169.6164.5-78.7-70000110.5Q72 E122 L139 L140 W143 G192 A195Q72-H135 PolarHBondContact NE2-NE2 2.79Å; Q72-H135 PolarHBondContact OE1-NE2 2.92Å; E122-H135 IonicContact OE2-CE1 2.69Å; E122-H135 IonicContact OE2-CG 3.7Å; E122-H135 IonicContact OE2-ND1 3.56Å; E122-H135 PolarHBondContact OE2-ND1 2.88Å; H135-L139 HydrophobicContact CB-CD2 4.32Å; H135-L140 HydrophobicContact CB-CG 4.25Å; H135-W143 HydrophobicContact CB-CZ3 4.49Å; H135-W143 AromaticContact CD2-CH2 4Å; H135-W143 AromaticContact CD2-CZ3 3.82Å; H135-G192 PolarHBondContact CD2-O 3Å; H135-A195 HydrophobicContact CB-CB 4.5Å; H135-A195 VanDerWaalsContact CD2-CA 3.48Å; H135-A195 WeakPolarHBondContact CD2-CA 3.43Å; H135-A195 VanDerWaalsContact N-CB 3.27Å
136S78.8Confident74.3Confident11 Ų1164.2 Ų64.28%0.07732%0.321CS..  trans-59.5151.4176.468.60000112.5H47 E122 A138 L139 L140H47-S136 WeakPolarHBondContact NE2-CB 3.37Å; E122-S136 WeakPolarHBondContact OE1-CA 3.5Å; E122-S136 WeakPolarHBondContact OE1-CB 3.23Å; E122-S136 PolarHBondContact OE1-N 2.83Å; E122-S136 PolarHBondContact OE1-OG 3.07Å; S136-A138 PolarHBondContact O-N 3.03Å; S136-L139 PolarHBondContact O-N 2.94Å; S136-L139 PolarHBondContact OG-N 3.07Å; S136-L140 WeakPolarHBondContact O-CG 3.33Å; S136-L140 PolarHBondContact O-N 2.95Å
137T80.3Confident75.2Confident115 Ų11565.5 Ų65.571%0.70633%0.326SS*.Hα-helixtrans-57.1-34.6171.851.20000111.5V141T137-V141 WeakPolarHBondContact O-CB 3.11Å; T137-V141 WeakPolarHBondContact O-CG2 3.5Å; T137-V141 PolarHBondContact O-N 2.65Å
138A83.1Confident76.2Confident11 Ų1167.6 Ų67.69%0.09134%0.341CS..Hα-helixtrans-60.9-48177.100000112.2L43 H47 S136 F142L43-A138 HydrophobicContact CB-CB 3.78Å; H47-A138 HydrophobicContact CB-CB 4.45Å; S136-A138 PolarHBondContact O-N 3.03Å; A138-F142 WeakPolarHBondContact O-CB 3.46Å; A138-F142 PolarHBondContact O-N 3.35Å
139L85.9Confident77.7Confident4 Ų463 Ų632%0.02132%0.319CS..Hα-helixtrans-72.3-39.7-177.4-164.667.4000112A115 V118 L119 H135 S136 F142 W143A115-L139 HydrophobicContact CB-CD1 4.17Å; V118-L139 HydrophobicContact CG1-CD1 4.41Å; L119-L139 HydrophobicContact CB-CD2 4.13Å; L119-L139 HydrophobicContact CD1-CD2 4.2Å; L119-L139 HydrophobicContact CG-CD2 4.49Å; H135-L139 HydrophobicContact CB-CD2 4.32Å; S136-L139 PolarHBondContact O-N 2.94Å; S136-L139 PolarHBondContact OG-N 3.07Å; L139-F142 PolarHBondContact O-N 3.27Å; L139-W143 HydrophobicContact CD1-CH2 4.43Å; L139-W143 HydrophobicContact CD1-CZ2 3.71Å; L139-W143 HydrophobicContact CD2-CH2 3.23Å; L139-W143 HydrophobicContact CD2-CZ2 3.32Å; L139-W143 HydrophobicContact CD2-CZ3 3.93Å; L139-W143 HydrophobicContact CG-CD2 4.03Å; L139-W143 HydrophobicContact CG-CE3 4.2Å; L139-W143 HydrophobicContact CG-CH2 3.55Å; L139-W143 HydrophobicContact CG-CZ2 3.31Å; L139-W143 HydrophobicContact CG-CZ3 3.96Å; L139-W143 VanDerWaalsContact O-CD2 3.31Å; L139-W143 VanDerWaalsContact O-CG 3.27Å; L139-W143 PolarHBondContact O-N 3.44Å
140L86.1Confident79.3Confident38 Ų3854.9 Ų54.920%0.19928%0.279CS..Hα-helixtrans-64.9-42.3174.9-71.9173.1000112.3H135 S136 W143 A144 L193H135-L140 HydrophobicContact CB-CG 4.25Å; S136-L140 WeakPolarHBondContact O-CG 3.33Å; S136-L140 PolarHBondContact O-N 2.95Å; L140-W143 HydrophobicContact CD2-CE3 4.21Å; L140-W143 HydrophobicContact CD2-CZ3 4.4Å; L140-W143 PolarHBondContact O-N 3.18Å; L140-A144 VanDerWaalsContact O-CB 3.22Å; L140-A144 WeakPolarHBondContact O-CB 3.11Å; L140-A144 PolarHBondContact O-N 2.71Å; L140-L193 HydrophobicContact CD2-CD2 4.32Å
141V87Confident81.2Confident53 Ų5352.3 Ų52.332%0.32127%0.265SS..Hα-helixtrans-62.9-45.3175.2168.20000110I39 L43 T137 W143 A144 F145I39-V141 HydrophobicContact CG2-CG1 4.14Å; L43-V141 HydrophobicContact CD1-CG1 4.46Å; T137-V141 WeakPolarHBondContact O-CB 3.11Å; T137-V141 WeakPolarHBondContact O-CG2 3.5Å; T137-V141 PolarHBondContact O-N 2.65Å; V141-W143 PolarHBondContact O-N 3.17Å; V141-A144 PolarHBondContact O-N 2.9Å; V141-F145 HydrophobicContact CG1-CD2 3.6Å; V141-F145 HydrophobicContact CG1-CE2 3.74Å; V141-F145 WeakPolarHBondContact O-CB 3.46Å; V141-F145 VanDerWaalsContact O-CD2 3.32Å; V141-F145 WeakPolarHBondContact O-CD2 3.3Å; V141-F145 PolarHBondContact O-N 3.36Å
142F90.5Very high82.6Confident2 Ų245 Ų451%0.00924%0.242CC..Hα-helixtrans-57.6-49.4176.5175.7-103.3000112.4L36 I39 C40 W112 A115 A138 L139 F145 A146L36-F142 HydrophobicContact CB-CE2 4.04Å; L36-F142 HydrophobicContact CD2-CD2 4.15Å; L36-F142 HydrophobicContact CD2-CE2 4.03Å; I39-F142 HydrophobicContact CG2-CB 4.37Å; C40-F142 HydrophobicContact CB-CD2 3.66Å; C40-F142 HydrophobicContact CB-CE2 3.71Å; C40-F142 HydrophobicContact CB-CG 4.42Å; W112-F142 HydrophobicContact CD2-CE1 4.05Å; W112-F142 HydrophobicContact CD2-CZ 4.04Å; W112-F142 AromaticContact CE3-CE1 3.76Å; W112-F142 HydrophobicContact CE3-CE1 3.76Å; W112-F142 HydrophobicContact CE3-CZ 4.23Å; W112-F142 HydrophobicContact CG-CZ 4.49Å; W112-F142 AromaticContact CH2-CE1 3.95Å; W112-F142 HydrophobicContact CH2-CE1 3.95Å; W112-F142 HydrophobicContact CZ2-CE1 4.22Å; W112-F142 HydrophobicContact CZ2-CZ 4.35Å; W112-F142 AromaticContact CZ3-CE1 3.73Å; W112-F142 HydrophobicContact CZ3-CE1 3.73Å; W112-F142 HydrophobicContact CZ3-CZ 4.48Å; A115-F142 HydrophobicContact CB-CD1 3.92Å; A115-F142 HydrophobicContact CB-CE1 3.59Å; A115-F142 HydrophobicContact CB-CZ 4.25Å; A138-F142 WeakPolarHBondContact O-CB 3.46Å; A138-F142 PolarHBondContact O-N 3.35Å; L139-F142 PolarHBondContact O-N 3.27Å; F142-F145 PolarHBondContact O-N 2.89Å; F142-A146 WeakPolarHBondContact O-CB 3.25Å; F142-A146 PolarHBondContact O-N 3.38Å
143W91.3Very high84Confident3 Ų343.9 Ų43.91%0.01124%0.236CC..Hα-helixtrans-66.9-36.6178.1-60.1-29.7000113.3L119 H135 L139 L140 V141 A146 F147 L188 F189 G192L119-W143 HydrophobicContact CD1-CH2 3.93Å; L119-W143 HydrophobicContact CD1-CZ2 3.76Å; H135-W143 HydrophobicContact CB-CZ3 4.49Å; H135-W143 AromaticContact CD2-CH2 4Å; H135-W143 AromaticContact CD2-CZ3 3.82Å; L139-W143 HydrophobicContact CD1-CH2 4.43Å; L139-W143 HydrophobicContact CD1-CZ2 3.71Å; L139-W143 HydrophobicContact CD2-CH2 3.23Å; L139-W143 HydrophobicContact CD2-CZ2 3.32Å; L139-W143 HydrophobicContact CD2-CZ3 3.93Å; L139-W143 HydrophobicContact CG-CD2 4.03Å; L139-W143 HydrophobicContact CG-CE3 4.2Å; L139-W143 HydrophobicContact CG-CH2 3.55Å; L139-W143 HydrophobicContact CG-CZ2 3.31Å; L139-W143 HydrophobicContact CG-CZ3 3.96Å; L139-W143 VanDerWaalsContact O-CD2 3.31Å; L139-W143 VanDerWaalsContact O-CG 3.27Å; L139-W143 PolarHBondContact O-N 3.44Å; L140-W143 HydrophobicContact CD2-CE3 4.21Å; L140-W143 HydrophobicContact CD2-CZ3 4.4Å; L140-W143 PolarHBondContact O-N 3.18Å; V141-W143 PolarHBondContact O-N 3.17Å; W143-A146 PolarHBondContact O-N 3.45Å; W143-F147 WeakPolarHBondContact O-CB 3.42Å; W143-F147 PolarHBondContact O-N 3.25Å; W143-L188 HydrophobicContact CB-CD2 4.27Å; W143-L188 HydrophobicContact CD2-CD2 3.2Å; W143-L188 HydrophobicContact CE3-CD2 3.89Å; W143-L188 HydrophobicContact CG-CD2 3.38Å; W143-L188 HydrophobicContact CH2-CD2 4.14Å; W143-L188 HydrophobicContact CZ2-CD2 3.51Å; W143-L188 HydrophobicContact CZ3-CD2 4.33Å; W143-F189 HydrophobicContact CB-CD2 4.38Å; W143-G192 VanDerWaalsContact CZ3-CA 3.45Å
144A88.7Confident85.4Confident29 Ų2936.3 Ų36.324%0.2421%0.209CC..Hα-helixtrans-63.7-45175.400000111.6L140 V141 S148 F189L140-A144 VanDerWaalsContact O-CB 3.22Å; L140-A144 WeakPolarHBondContact O-CB 3.11Å; L140-A144 PolarHBondContact O-N 2.71Å; V141-A144 PolarHBondContact O-N 2.9Å; A144-S148 VanDerWaalsContact O-CB 3.28Å; A144-S148 WeakPolarHBondContact O-CB 3.48Å; A144-S148 PolarHBondContact O-N 3.49Å; A144-S148 PolarHBondContact O-OG 3.47Å; A144-F189 HydrophobicContact CB-CD2 4.12Å; A144-F189 HydrophobicContact CB-CE2 3.69Å
145F89.5Confident86.2Confident106 Ų10638.5 Ų38.547%0.46522%0.217SC..Hα-helixtrans-66.5-40.3175.7-90-78.9000111.9L36 I39 V141 F142 S148 A149L36-F145 HydrophobicContact CD2-CB 4.08Å; I39-F145 HydrophobicContact CD1-CB 4.3Å; I39-F145 HydrophobicContact CD1-CD1 4.31Å; I39-F145 HydrophobicContact CD1-CD2 3.77Å; I39-F145 HydrophobicContact CD1-CE2 4.14Å; I39-F145 HydrophobicContact CD1-CG 3.87Å; V141-F145 HydrophobicContact CG1-CD2 3.6Å; V141-F145 HydrophobicContact CG1-CE2 3.74Å; V141-F145 WeakPolarHBondContact O-CB 3.46Å; V141-F145 VanDerWaalsContact O-CD2 3.32Å; V141-F145 WeakPolarHBondContact O-CD2 3.3Å; V141-F145 PolarHBondContact O-N 3.36Å; F142-F145 PolarHBondContact O-N 2.89Å; F145-S148 PolarHBondContact O-N 3.44Å; F145-A149 VanDerWaalsContact O-CB 3.28Å; F145-A149 WeakPolarHBondContact O-CB 3.41Å; F145-A149 PolarHBondContact O-N 3.03Å
146A89.4Confident86.4Confident3 Ų337.9 Ų37.93%0.02521%0.214CC..Hα-helixtrans-61.6-46.717600000111.6L36 W112 F142 W143 A149 E150 T185L36-A146 HydrophobicContact CD1-CB 4.44Å; L36-A146 HydrophobicContact CD2-CB 4.03Å; W112-A146 HydrophobicContact CH2-CB 4.28Å; W112-A146 HydrophobicContact CZ2-CB 3.99Å; F142-A146 WeakPolarHBondContact O-CB 3.25Å; F142-A146 PolarHBondContact O-N 3.38Å; W143-A146 PolarHBondContact O-N 3.45Å; A146-A149 PolarHBondContact O-N 3.07Å; A146-E150 PolarHBondContact O-N 3.43Å; A146-T185 HydrophobicContact CB-CG2 4.44Å
147F91.9Very high86.5Confident37 Ų3743.4 Ų43.416%0.16223%0.233CC..Hα-helixtrans-64.9-41.9175.8-178.2-118.7000112W143 A149 E150 N151 Y182 G186 F189W143-F147 WeakPolarHBondContact O-CB 3.42Å; W143-F147 PolarHBondContact O-N 3.25Å; F147-A149 VanDerWaalsContact C-N 3.29Å; F147-A149 PolarHBondContact O-N 3.07Å; F147-E150 PolarHBondContact O-N 3.27Å; F147-N151 WeakPolarHBondContact CZ-ND2 3.19Å; F147-N151 PolarHBondContact O-N 2.95Å; F147-N151 PolarHBondContact O-ND2 3.49Å; F147-Y182 HydrophobicContact CE2-CD2 4.3Å; F147-Y182 AromaticContact CE2-CE2 3.82Å; F147-Y182 HydrophobicContact CE2-CE2 3.82Å; F147-Y182 HydrophobicContact CZ-CE2 4.35Å; F147-G186 VanDerWaalsContact CD2-CA 3.48Å; F147-F189 HydrophobicContact CD1-CD1 4.46Å
148S88.3Confident86.4Confident72 Ų7247 Ų4750%0.50324%0.235SC..Hα-helixtrans-63.7-35.5177.2-580000112.2A144 F145 N151 L152A144-S148 VanDerWaalsContact O-CB 3.28Å; A144-S148 WeakPolarHBondContact O-CB 3.48Å; A144-S148 PolarHBondContact O-N 3.49Å; A144-S148 PolarHBondContact O-OG 3.47Å; F145-S148 PolarHBondContact O-N 3.44Å; S148-N151 WeakPolarHBondContact O-CB 3.4Å; S148-N151 PolarHBondContact O-N 3.22Å; S148-L152 PolarHBondContact O-N 2.93Å; S148-L152 VanDerWaalsContact O-N 3.13Å
149A87.4Confident86.3Confident15 Ų1546.6 Ų46.612%0.12423%0.232CC..Hα-helixtrans-64.4-41.6176.300000112.1I32 F145 A146 F147 N151 L152I32-A149 HydrophobicContact CD1-CB 3.9Å; I32-A149 HydrophobicContact CG1-CB 4.02Å; I32-A149 HydrophobicContact CG2-CB 3.74Å; F145-A149 VanDerWaalsContact O-CB 3.28Å; F145-A149 WeakPolarHBondContact O-CB 3.41Å; F145-A149 PolarHBondContact O-N 3.03Å; A146-A149 PolarHBondContact O-N 3.07Å; F147-A149 VanDerWaalsContact C-N 3.29Å; F147-A149 PolarHBondContact O-N 3.07Å; A149-N151 VanDerWaalsContact C-N 3.28Å; A149-N151 PolarHBondContact O-N 3.2Å; A149-L152 VanDerWaalsContact O-CB 3.31Å; A149-L152 WeakPolarHBondContact O-CB 3.41Å; A149-L152 PolarHBondContact O-N 3Å; A149-L152 VanDerWaalsContact O-N 3.14Å
150E89.2Confident85.7Confident18 Ų1850.4 Ų50.48%0.08426%0.259CS..Hα-helixtrans-67.6-29.1175.5-60.7-64.8170.100112.2A146 F147 L152 A153 W178 R181 Y182A146-E150 PolarHBondContact O-N 3.43Å; F147-E150 PolarHBondContact O-N 3.27Å; E150-L152 VanDerWaalsContact C-N 3.33Å; E150-A153 VanDerWaalsContact O-CB 3.29Å; E150-A153 WeakPolarHBondContact O-CB 3.46Å; E150-A153 PolarHBondContact O-N 3.34Å; E150-W178 PolarHBondContact O-NE1 3.38Å; E150-W178 PolarHBondContact OE2-NE1 3.2Å; E150-R181 WeakPolarHBondContact OE1-CB 3.47Å; E150-R181 WeakPolarHBondContact OE1-CD 3.48Å; E150-R181 IonicContact OE1-NE 2.63Å; E150-R181 PolarHBondContact OE1-NE 2.96Å; E150-R181 VanDerWaalsContact OE1-NE 3.14Å; E150-R181 IonicContact OE2-NE 3.65Å; E150-Y182 HydrophobicContact CB-CD2 3.98Å
151N87.1Confident85.2Confident55 Ų5551.6 Ų51.629%0.29426%0.264SS..Hα-helixtrans-71.2-27.1172.7-77.6-84.8000112.7F147 S148 A149 A153 F154F147-N151 WeakPolarHBondContact CZ-ND2 3.19Å; F147-N151 PolarHBondContact O-N 2.95Å; F147-N151 PolarHBondContact O-ND2 3.49Å; S148-N151 WeakPolarHBondContact O-CB 3.4Å; S148-N151 PolarHBondContact O-N 3.22Å; A149-N151 VanDerWaalsContact C-N 3.28Å; A149-N151 PolarHBondContact O-N 3.2Å; N151-A153 PolarHBondContact O-N 3.19Å; N151-F154 WeakPolarHBondContact O-CB 3.14Å; N151-F154 VanDerWaalsContact O-CD2 3.29Å; N151-F154 WeakPolarHBondContact O-CD2 3.17Å; N151-F154 PolarHBondContact O-N 2.98Å; N151-F154 VanDerWaalsContact O-N 3.15Å
152L85.9Confident84.9Confident71 Ų7149.1 Ų49.137%0.37225%0.248SC..Hα-helixtrans-64.6-22.2178-168.968.3000112I23 S148 A149 E150 F154 V155I23-L152 HydrophobicContact CD1-CD1 4.26Å; I23-L152 HydrophobicContact CD1-CD2 4.19Å; I23-L152 HydrophobicContact CD1-CG 3.99Å; S148-L152 PolarHBondContact O-N 2.93Å; S148-L152 VanDerWaalsContact O-N 3.13Å; A149-L152 VanDerWaalsContact O-CB 3.31Å; A149-L152 WeakPolarHBondContact O-CB 3.41Å; A149-L152 PolarHBondContact O-N 3Å; A149-L152 VanDerWaalsContact O-N 3.14Å; E150-L152 VanDerWaalsContact C-N 3.33Å; L152-F154 PolarHBondContact O-N 2.66Å; L152-V155 HydrophobicContact CD1-CG2 3.97Å; L152-V155 WeakPolarHBondContact O-CB 3.04Å; L152-V155 PolarHBondContact O-N 2.82Å; L152-V155 VanDerWaalsContact O-N 3.12Å
153A83Confident84.6Confident0 Ų049.3 Ų49.30%025%0.249CC..G310 helixtrans-57.4-29.1173.200000113.7E150 N151 V155 S156 W162 W163 W164E150-A153 VanDerWaalsContact O-CB 3.29Å; E150-A153 WeakPolarHBondContact O-CB 3.46Å; E150-A153 PolarHBondContact O-N 3.34Å; N151-A153 PolarHBondContact O-N 3.19Å; A153-V155 PolarHBondContact O-N 3.35Å; A153-S156 PolarHBondContact O-N 3.41Å; A153-W162 HydrophobicContact CB-CE3 4.34Å; A153-W162 HydrophobicContact CB-CH2 4.18Å; A153-W162 HydrophobicContact CB-CZ3 3.49Å; A153-W162 VanDerWaalsContact CB-CZ3 3.49Å; A153-W163 HydrophobicContact CB-CZ2 4.15Å; A153-W164 HydrophobicContact CB-CZ2 4.44Å; A153-W164 PolarHBondContact O-NE1 2.95Å
154F83.9Confident84.2Confident79 Ų7951.1 Ų51.135%0.34626%0.256SS..G310 helixtrans-67.9-21.7178.1-69.2-67.1000113.2N151 L152 S156 W157 W164 W178 Y182N151-F154 WeakPolarHBondContact O-CB 3.14Å; N151-F154 VanDerWaalsContact O-CD2 3.29Å; N151-F154 WeakPolarHBondContact O-CD2 3.17Å; N151-F154 PolarHBondContact O-N 2.98Å; N151-F154 VanDerWaalsContact O-N 3.15Å; L152-F154 PolarHBondContact O-N 2.66Å; F154-S156 PolarHBondContact O-N 3.39Å; F154-W157 AromaticContact CD1-CE3 3.95Å; F154-W157 HydrophobicContact CD1-CE3 3.95Å; F154-W157 AromaticContact CD1-CZ3 3.99Å; F154-W157 HydrophobicContact CD1-CZ3 3.99Å; F154-W157 HydrophobicContact CE1-CE3 4.48Å; F154-W157 HydrophobicContact CE1-CZ3 4.07Å; F154-W157 WeakPolarHBondContact O-CB 3.35Å; F154-W157 PolarHBondContact O-N 2.89Å; F154-W164 AromaticContact CD1-CH2 3.88Å; F154-W164 HydrophobicContact CD1-CH2 3.88Å; F154-W164 HydrophobicContact CD1-CZ2 4.11Å; F154-W164 AromaticContact CE1-CH2 3.75Å; F154-W164 HydrophobicContact CE1-CH2 3.75Å; F154-W164 HydrophobicContact CE1-CZ2 4.41Å; F154-W178 AromaticContact CE1-CH2 3.88Å; F154-W178 HydrophobicContact CE1-CH2 3.88Å; F154-W178 HydrophobicContact CE1-CZ2 4.21Å; F154-W178 HydrophobicContact CE2-CH2 4.38Å; F154-W178 HydrophobicContact CE2-CZ2 4.11Å; F154-W178 AromaticContact CZ-CH2 3.61Å; F154-W178 HydrophobicContact CZ-CH2 3.61Å; F154-W178 AromaticContact CZ-CZ2 3.78Å; F154-W178 HydrophobicContact CZ-CZ2 3.78Å; F154-Y182 AromaticContact CE2-CE2 3.97Å; F154-Y182 HydrophobicContact CE2-CE2 3.97Å
155V83.7Confident83.7Confident74 Ų7452 Ų5245%0.44826%0.263SS..G310 helixtrans-63.4-28.6176.6177.80000111.2W18 I23 L152 A153W18-V155 HydrophobicContact CH2-CG1 3.85Å; W18-V155 HydrophobicContact CZ3-CG1 3.87Å; I23-V155 HydrophobicContact CD1-CB 4.44Å; I23-V155 HydrophobicContact CD1-CG1 4.34Å; L152-V155 HydrophobicContact CD1-CG2 3.97Å; L152-V155 WeakPolarHBondContact O-CB 3.04Å; L152-V155 PolarHBondContact O-N 2.82Å; L152-V155 VanDerWaalsContact O-N 3.12Å; A153-V155 PolarHBondContact O-N 3.35Å
156S82.6Confident83.3Confident0 Ų050.4 Ų50.40%026%0.259CS..G310 helixtrans-96.522.9-178.9-54.20000113.5I23 A153 F154 Y158 S159 W162I23-S156 PolarHBondContact N-OG 3.39Å; A153-S156 PolarHBondContact O-N 3.41Å; F154-S156 PolarHBondContact O-N 3.39Å; S156-Y158 PolarHBondContact O-N 3.27Å; S156-Y158 VanDerWaalsContact O-N 3.14Å; S156-S159 WeakPolarHBondContact O-CB 3.31Å; S156-S159 PolarHBondContact O-N 2.93Å; S156-W162 VanDerWaalsContact OG-CE2 3.29Å; S156-W162 WeakPolarHBondContact OG-CZ2 3.18Å; S156-W162 PolarHBondContact OG-NE1 3.43Å
157W81.9Confident82.9Confident127 Ų12758.2 Ų58.248%0.48130%0.295SS..THydrogen-bonded Turntrans-53.5-36.2-175-174.2-86.5000114.1F154 W164F154-W157 AromaticContact CD1-CE3 3.95Å; F154-W157 HydrophobicContact CD1-CE3 3.95Å; F154-W157 AromaticContact CD1-CZ3 3.99Å; F154-W157 HydrophobicContact CD1-CZ3 3.99Å; F154-W157 HydrophobicContact CE1-CE3 4.48Å; F154-W157 HydrophobicContact CE1-CZ3 4.07Å; F154-W157 WeakPolarHBondContact O-CB 3.35Å; F154-W157 PolarHBondContact O-N 2.89Å; W157-W164 HydrophobicContact CD2-CD2 4.46Å; W157-W164 AromaticContact CE3-CD2 3.92Å; W157-W164 HydrophobicContact CE3-CD2 3.92Å; W157-W164 AromaticContact CE3-CE3 3.79Å; W157-W164 HydrophobicContact CE3-CE3 3.79Å; W157-W164 AromaticContact CE3-CH2 3.91Å; W157-W164 HydrophobicContact CE3-CH2 3.91Å; W157-W164 HydrophobicContact CE3-CZ2 4.03Å; W157-W164 AromaticContact CE3-CZ3 3.78Å; W157-W164 HydrophobicContact CE3-CZ3 3.78Å; W157-W164 HydrophobicContact CH2-CE3 4.09Å; W157-W164 HydrophobicContact CH2-CZ3 4Å; W157-W164 HydrophobicContact CZ3-CD2 4.19Å; W157-W164 AromaticContact CZ3-CE3 3.56Å; W157-W164 HydrophobicContact CZ3-CE3 3.56Å; W157-W164 AromaticContact CZ3-CH2 3.66Å; W157-W164 HydrophobicContact CZ3-CH2 3.66Å; W157-W164 HydrophobicContact CZ3-CZ2 4.27Å; W157-W164 AromaticContact CZ3-CZ3 3.27Å; W157-W164 HydrophobicContact CZ3-CZ3 3.27Å
158Y77.3Confident82.4Confident189 Ų18959.8 Ų59.874%0.74131%0.308SS*.THydrogen-bonded Turntrans-92.73.7-177.1-67.8-77.2000114S156S156-Y158 PolarHBondContact O-N 3.27Å; S156-Y158 VanDerWaalsContact O-N 3.14Å
159S80.8Confident81.9Confident4 Ų460.8 Ų60.83%0.02832%0.315CS..  trans-86128.6-177.6-170.80000111.3D20 S156 Q161 W162D20-S159 WeakPolarHBondContact O-CA 3.43Å; D20-S159 VanDerWaalsContact O-CB 3.29Å; D20-S159 WeakPolarHBondContact O-CB 3.15Å; D20-S159 PolarHBondContact O-OG 2.84Å; S156-S159 WeakPolarHBondContact O-CB 3.31Å; S156-S159 PolarHBondContact O-N 2.93Å; S159-Q161 PolarHBondContact O-N 3.36Å; S159-W162 PolarHBondContact O-N 3.23Å
160S74.4Confident81.4Confident83 Ų8364.1 Ų64.158%0.5833%0.328SS*.THydrogen-bonded Turntrans-69.5-17.2176.453.30000113.6W162S160-W162 VanDerWaalsContact C-N 3.26Å; S160-W162 PolarHBondContact O-N 2.68Å
161Q74.7Confident81.1Confident64 Ų6464.6 Ų64.630%0.29933%0.33SS..THydrogen-bonded Turntrans-79.2-10.6177.5-59.7-1731.100113D20 P25 S159D20-Q161 PolarHBondContact OD2-NE2 2.96Å; P25-Q161 HydrophobicContact CG-CB 4.39Å; S159-Q161 PolarHBondContact O-N 3.36Å
162W81.1Confident80.9Confident1 Ų167.2 Ų67.20%0.00434%0.34CS..SBendtrans-100.4160.4179.3-75.465.7000110.6I23 H28 A153 S156 S159 S160 W164I23-W162 HydrophobicContact CB-CZ2 4.47Å; I23-W162 PolarHBondContact O-NE1 2.94Å; H28-W162 HydrophobicContact CB-CZ2 4.39Å; H28-W162 AromaticContact CD2-CH2 3.71Å; H28-W162 AromaticContact CE1-CH2 3.89Å; H28-W162 AromaticContact CG-CH2 3.91Å; H28-W162 AromaticContact NE2-CH2 3.72Å; A153-W162 HydrophobicContact CB-CE3 4.34Å; A153-W162 HydrophobicContact CB-CH2 4.18Å; A153-W162 HydrophobicContact CB-CZ3 3.49Å; A153-W162 VanDerWaalsContact CB-CZ3 3.49Å; S156-W162 VanDerWaalsContact OG-CE2 3.29Å; S156-W162 WeakPolarHBondContact OG-CZ2 3.18Å; S156-W162 PolarHBondContact OG-NE1 3.43Å; S159-W162 PolarHBondContact O-N 3.23Å; S160-W162 VanDerWaalsContact C-N 3.26Å; S160-W162 PolarHBondContact O-N 2.68Å; W162-W164 HydrophobicContact CB-CG 4.48Å; W162-W164 PolarHBondContact O-N 3.32Å
163W83.6Confident80.8Confident6 Ų666 Ų662%0.02334%0.336CS..G310 helixtrans-68.65.4-177.154.573.4000115.3F29 A153 A165 L166 Q171 E174 F175 W178F29-W163 HydrophobicContact CE2-CZ3 4.18Å; F29-W163 AromaticContact CZ-CH2 3.92Å; F29-W163 HydrophobicContact CZ-CH2 3.92Å; F29-W163 AromaticContact CZ-CZ3 3.7Å; F29-W163 HydrophobicContact CZ-CZ3 3.7Å; A153-W163 HydrophobicContact CB-CZ2 4.15Å; W163-A165 VanDerWaalsContact C-N 3.34Å; W163-A165 PolarHBondContact O-N 3.39Å; W163-L166 WeakPolarHBondContact O-CD2 3.18Å; W163-Q171 HydrophobicContact CB-CB 4.23Å; W163-Q171 WeakPolarHBondContact CB-O 3.48Å; W163-E174 HydrophobicContact CB-CB 4.04Å; W163-E174 HydrophobicContact CE3-CB 4.31Å; W163-E174 HydrophobicContact CG-CB 4.44Å; W163-F175 HydrophobicContact CB-CB 4.11Å; W163-F175 AromaticContact CD1-CD2 3.48Å; W163-F175 VanDerWaalsContact CD1-CD2 3.48Å; W163-F175 HydrophobicContact CG-CB 4.08Å; W163-F175 AromaticContact NE1-CD2 3.88Å; W163-W178 AromaticContact CE2-CG 3.88Å; W163-W178 HydrophobicContact CZ2-CB 3.86Å; W163-W178 AromaticContact CZ2-CD1 3.49Å; W163-W178 VanDerWaalsContact CZ2-CD1 3.49Å; W163-W178 HydrophobicContact CZ2-CD2 4.2Å; W163-W178 AromaticContact CZ2-CG 3.54Å; W163-W178 HydrophobicContact CZ2-CG 3.54Å; W163-W178 AromaticContact NE1-CD2 3.97Å; W163-W178 AromaticContact NE1-CG 3.94Å
164W83.1Confident80.8Confident40 Ų4067.4 Ų67.415%0.15234%0.343CS..G310 helixtrans-70.3-26.5-176.1-61.6117000113.9A153 F154 W157 W162 F175 W178A153-W164 HydrophobicContact CB-CZ2 4.44Å; A153-W164 PolarHBondContact O-NE1 2.95Å; F154-W164 AromaticContact CD1-CH2 3.88Å; F154-W164 HydrophobicContact CD1-CH2 3.88Å; F154-W164 HydrophobicContact CD1-CZ2 4.11Å; F154-W164 AromaticContact CE1-CH2 3.75Å; F154-W164 HydrophobicContact CE1-CH2 3.75Å; F154-W164 HydrophobicContact CE1-CZ2 4.41Å; W157-W164 HydrophobicContact CD2-CD2 4.46Å; W157-W164 AromaticContact CE3-CD2 3.92Å; W157-W164 HydrophobicContact CE3-CD2 3.92Å; W157-W164 AromaticContact CE3-CE3 3.79Å; W157-W164 HydrophobicContact CE3-CE3 3.79Å; W157-W164 AromaticContact CE3-CH2 3.91Å; W157-W164 HydrophobicContact CE3-CH2 3.91Å; W157-W164 HydrophobicContact CE3-CZ2 4.03Å; W157-W164 AromaticContact CE3-CZ3 3.78Å; W157-W164 HydrophobicContact CE3-CZ3 3.78Å; W157-W164 HydrophobicContact CH2-CE3 4.09Å; W157-W164 HydrophobicContact CH2-CZ3 4Å; W157-W164 HydrophobicContact CZ3-CD2 4.19Å; W157-W164 AromaticContact CZ3-CE3 3.56Å; W157-W164 HydrophobicContact CZ3-CE3 3.56Å; W157-W164 AromaticContact CZ3-CH2 3.66Å; W157-W164 HydrophobicContact CZ3-CH2 3.66Å; W157-W164 HydrophobicContact CZ3-CZ2 4.27Å; W157-W164 AromaticContact CZ3-CZ3 3.27Å; W157-W164 HydrophobicContact CZ3-CZ3 3.27Å; W162-W164 HydrophobicContact CB-CG 4.48Å; W162-W164 PolarHBondContact O-N 3.32Å; W164-F175 HydrophobicContact CE3-CE2 4.2Å; W164-F175 HydrophobicContact CZ3-CD2 4.39Å; W164-F175 AromaticContact CZ3-CE2 3.81Å; W164-F175 HydrophobicContact CZ3-CE2 3.81Å; W164-W178 HydrophobicContact CH2-CE3 4.31Å; W164-W178 AromaticContact CH2-CH2 3.52Å; W164-W178 HydrophobicContact CH2-CH2 3.52Å; W164-W178 AromaticContact CH2-CZ2 3.89Å; W164-W178 HydrophobicContact CH2-CZ2 3.89Å; W164-W178 AromaticContact CH2-CZ3 3.75Å; W164-W178 HydrophobicContact CH2-CZ3 3.75Å; W164-W178 HydrophobicContact CZ2-CH2 4.45Å; W164-W178 HydrophobicContact CZ2-CZ2 4.4Å; W164-W178 HydrophobicContact CZ3-CH2 4.24Å; W164-W178 HydrophobicContact CZ3-CZ3 4.08Å
165A78.4Confident80.9Confident48 Ų4866.7 Ų66.740%0.39734%0.34SS..G310 helixtrans-78.6-23.5-178.300000113.7W163 E167W163-A165 VanDerWaalsContact C-N 3.34Å; W163-A165 PolarHBondContact O-N 3.39Å; A165-E167 HydrophobicContact CB-CG 4.07Å; A165-E167 PolarHBondContact O-N 3.34Å; A165-E167 VanDerWaalsContact O-N 3.17Å
166L81.5Confident81.1Confident73 Ų7365.5 Ų65.538%0.38234%0.337SS..  trans51.532.3179.1-60.2169.8000114.2W163 E172 F175W163-L166 WeakPolarHBondContact O-CD2 3.18Å; L166-E172 HydrophobicContact CD2-CG 4.22Å; L166-F175 HydrophobicContact CD2-CB 3.81Å; L166-F175 HydrophobicContact CD2-CD1 3.96Å; L166-F175 HydrophobicContact CD2-CG 4.03Å
167E80.9Confident81.3Confident166 Ų16667.5 Ų67.578%0.77635%0.348SS*.  trans-83.9-21.9-176.4-66.7-178.7178.400112.7A165A165-E167 HydrophobicContact CB-CG 4.07Å; A165-E167 PolarHBondContact O-N 3.34Å; A165-E167 VanDerWaalsContact O-N 3.17Å
168T80.8Confident81.7Confident71 Ų7162 Ų6244%0.43633%0.327SS..SBendtrans-122148-177.852.60000111.4Q170 Q171 E172T168-Q170 PolarHBondContact O-N 3.22Å; T168-Q170 VanDerWaalsContact O-N 3.11Å; T168-Q171 WeakPolarHBondContact O-CB 3.47Å; T168-Q171 PolarHBondContact O-N 3.31Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.24Å; T168-Q171 PolarHBondContact OG1-N 3.02Å; T168-Q171 PolarHBondContact OG1-OE1 3.05Å; T168-E172 PolarHBondContact O-N 2.62Å; T168-E172 VanDerWaalsContact O-N 3.11Å
169S78.4Confident82.2Confident92 Ų9255.7 Ų55.764%0.64331%0.308SS*.Hα-helixtrans-57.8-27.3176.5-54.30000112.8V173S169-V173 WeakPolarHBondContact O-CG2 3.4Å; S169-V173 PolarHBondContact O-N 3.02Å
170Q77.9Confident82.7Confident85 Ų8559.4 Ų59.440%0.39733%0.326SS..Hα-helixtrans-66.8-44172.6-177.4177.7-16.600112.1T168 V173 E174T168-Q170 PolarHBondContact O-N 3.22Å; T168-Q170 VanDerWaalsContact O-N 3.11Å; Q170-V173 PolarHBondContact O-N 2.64Å; Q170-E174 VanDerWaalsContact CG-OE1 3.24Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.43Å; Q170-E174 PolarHBondContact NE2-OE1 2.91Å; Q170-E174 WeakPolarHBondContact O-CG 3.3Å; Q170-E174 PolarHBondContact O-N 2.94Å
171Q81.4Confident83.4Confident29 Ų2956.4 Ų56.414%0.13630%0.303CS..Hα-helixtrans-65.6-37.8176.9-73173.6-16.300112W163 T168 V173 E174 F175W163-Q171 HydrophobicContact CB-CB 4.23Å; W163-Q171 WeakPolarHBondContact CB-O 3.48Å; T168-Q171 WeakPolarHBondContact O-CB 3.47Å; T168-Q171 PolarHBondContact O-N 3.31Å; T168-Q171 WeakPolarHBondContact OG1-CG 3.24Å; T168-Q171 PolarHBondContact OG1-N 3.02Å; T168-Q171 PolarHBondContact OG1-OE1 3.05Å; Q171-V173 PolarHBondContact O-N 3.14Å; Q171-E174 PolarHBondContact O-N 3.34Å; Q171-F175 WeakPolarHBondContact O-CB 3.34Å; Q171-F175 PolarHBondContact O-N 3.14Å
172E83.4Confident84.2Confident109 Ų10956.7 Ų56.751%0.50930%0.301SS..Hα-helixtrans-59.8-44.3175.7-67.5-176.8157.800112.2L166 T168 A176L166-E172 HydrophobicContact CD2-CG 4.22Å; T168-E172 PolarHBondContact O-N 2.62Å; T168-E172 VanDerWaalsContact O-N 3.11Å; E172-A176 PolarHBondContact O-N 3.42Å
173V83.6Confident84.7Confident45 Ų4560 Ų6027%0.27332%0.322SS..Hα-helixtrans-69.6-41.1178.8175.70000111.5W89 S169 Q170 Q171 A176 L177W89-V173 HydrophobicContact CG-CG1 4.46Å; W89-V173 HydrophobicContact CZ2-CG2 4.14Å; S169-V173 WeakPolarHBondContact O-CG2 3.4Å; S169-V173 PolarHBondContact O-N 3.02Å; Q170-V173 PolarHBondContact O-N 2.64Å; Q171-V173 PolarHBondContact O-N 3.14Å; V173-A176 PolarHBondContact O-N 2.67Å; V173-L177 HydrophobicContact CG1-CD1 4.14Å; V173-L177 WeakPolarHBondContact O-CG 3.19Å; V173-L177 PolarHBondContact O-N 2.93Å
174E82.6Confident85.1Confident31 Ų3160.4 Ų60.415%0.14533%0.325CS..Hα-helixtrans-64.9-38.7177.4-74.2178.2-155.700112.7R90 W163 Q170 Q171 L177 W178R90-E174 IonicContact CZ-OE1 2.68Å; R90-E174 IonicContact NE-OE1 3.67Å; R90-E174 IonicContact NH2-OE1 3.13Å; R90-E174 PolarHBondContact NH2-OE1 3.48Å; R90-E174 IonicContact NH2-OE2 2.71Å; R90-E174 PolarHBondContact NH2-OE2 3.06Å; W163-E174 HydrophobicContact CB-CB 4.04Å; W163-E174 HydrophobicContact CE3-CB 4.31Å; W163-E174 HydrophobicContact CG-CB 4.44Å; Q170-E174 VanDerWaalsContact CG-OE1 3.24Å; Q170-E174 WeakPolarHBondContact CG-OE1 3.43Å; Q170-E174 PolarHBondContact NE2-OE1 2.91Å; Q170-E174 WeakPolarHBondContact O-CG 3.3Å; Q170-E174 PolarHBondContact O-N 2.94Å; Q171-E174 PolarHBondContact O-N 3.34Å; E174-L177 PolarHBondContact O-N 3.22Å; E174-W178 WeakPolarHBondContact O-CB 3.49Å; E174-W178 PolarHBondContact O-N 3.41Å
175F86.9Confident85.5Confident64 Ų6458.7 Ų58.728%0.28132%0.319SS..Hα-helixtrans-63.7-46.3173178.8-115.9000111.4W163 W164 L166 Q171 L177 W178 V179W163-F175 HydrophobicContact CB-CB 4.11Å; W163-F175 AromaticContact CD1-CD2 3.48Å; W163-F175 VanDerWaalsContact CD1-CD2 3.48Å; W163-F175 HydrophobicContact CG-CB 4.08Å; W163-F175 AromaticContact NE1-CD2 3.88Å; W164-F175 HydrophobicContact CE3-CE2 4.2Å; W164-F175 HydrophobicContact CZ3-CD2 4.39Å; W164-F175 AromaticContact CZ3-CE2 3.81Å; W164-F175 HydrophobicContact CZ3-CE2 3.81Å; L166-F175 HydrophobicContact CD2-CB 3.81Å; L166-F175 HydrophobicContact CD2-CD1 3.96Å; L166-F175 HydrophobicContact CD2-CG 4.03Å; Q171-F175 WeakPolarHBondContact O-CB 3.34Å; Q171-F175 PolarHBondContact O-N 3.14Å; F175-L177 VanDerWaalsContact C-N 3.33Å; F175-L177 PolarHBondContact O-N 3.23Å; F175-W178 AromaticContact CD2-CE3 3.93Å; F175-W178 HydrophobicContact CD2-CE3 3.93Å; F175-W178 HydrophobicContact CD2-CZ3 4.32Å; F175-W178 AromaticContact CE2-CE3 3.89Å; F175-W178 HydrophobicContact CE2-CE3 3.89Å; F175-W178 AromaticContact CE2-CZ3 3.81Å; F175-W178 HydrophobicContact CE2-CZ3 3.81Å; F175-W178 PolarHBondContact O-N 2.9Å; F175-W178 VanDerWaalsContact O-N 3.16Å; F175-V179 HydrophobicContact CD1-CG2 4.44Å; F175-V179 HydrophobicContact CD2-CG2 4.3Å; F175-V179 HydrophobicContact CE1-CG2 4.1Å; F175-V179 HydrophobicContact CE2-CG2 3.98Å; F175-V179 HydrophobicContact CZ-CG2 3.88Å; F175-V179 WeakPolarHBondContact O-CG2 3.36Å; F175-V179 PolarHBondContact O-N 2.89Å
176A87.1Confident86Confident49 Ų4956.7 Ų56.741%0.40530%0.303SS..Hα-helixtrans-60-42.3177.100000112.1E172 V173 V179 I180E172-A176 PolarHBondContact O-N 3.42Å; V173-A176 PolarHBondContact O-N 2.67Å; A176-V179 PolarHBondContact O-N 3.3Å; A176-I180 WeakPolarHBondContact O-CG1 3.46Å; A176-I180 PolarHBondContact O-N 3.36Å; A176-I180 VanDerWaalsContact O-N 3.14Å
177L86.8Confident86.4Confident42 Ų4257.2 Ų57.222%0.2231%0.306CS..Hα-helixtrans-63.7-44.7174-70.9171.9000111.2Q82 V173 E174 F175 V179 I180 R181Q82-L177 HydrophobicContact CG-CD2 3.72Å; Q82-L177 VanDerWaalsContact NE2-C 3.27Å; Q82-L177 VanDerWaalsContact NE2-CA 3.27Å; Q82-L177 PolarHBondContact NE2-O 2.83Å; V173-L177 HydrophobicContact CG1-CD1 4.14Å; V173-L177 WeakPolarHBondContact O-CG 3.19Å; V173-L177 PolarHBondContact O-N 2.93Å; E174-L177 PolarHBondContact O-N 3.22Å; F175-L177 VanDerWaalsContact C-N 3.33Å; F175-L177 PolarHBondContact O-N 3.23Å; L177-V179 PolarHBondContact O-N 2.99Å; L177-I180 PolarHBondContact O-N 2.92Å; L177-R181 PolarHBondContact O-N 3.4Å
178W90Very high86.8Confident12 Ų1249.4 Ų49.45%0.04527%0.27CS..Hα-helixtrans-61.2-42.3176.7172.481.9000112.4E150 F154 W163 W164 E174 F175 I180 R181 Y182E150-W178 PolarHBondContact O-NE1 3.38Å; E150-W178 PolarHBondContact OE2-NE1 3.2Å; F154-W178 AromaticContact CE1-CH2 3.88Å; F154-W178 HydrophobicContact CE1-CH2 3.88Å; F154-W178 HydrophobicContact CE1-CZ2 4.21Å; F154-W178 HydrophobicContact CE2-CH2 4.38Å; F154-W178 HydrophobicContact CE2-CZ2 4.11Å; F154-W178 AromaticContact CZ-CH2 3.61Å; F154-W178 HydrophobicContact CZ-CH2 3.61Å; F154-W178 AromaticContact CZ-CZ2 3.78Å; F154-W178 HydrophobicContact CZ-CZ2 3.78Å; W163-W178 AromaticContact CE2-CG 3.88Å; W163-W178 HydrophobicContact CZ2-CB 3.86Å; W163-W178 AromaticContact CZ2-CD1 3.49Å; W163-W178 VanDerWaalsContact CZ2-CD1 3.49Å; W163-W178 HydrophobicContact CZ2-CD2 4.2Å; W163-W178 AromaticContact CZ2-CG 3.54Å; W163-W178 HydrophobicContact CZ2-CG 3.54Å; W163-W178 AromaticContact NE1-CD2 3.97Å; W163-W178 AromaticContact NE1-CG 3.94Å; W164-W178 HydrophobicContact CH2-CE3 4.31Å; W164-W178 AromaticContact CH2-CH2 3.52Å; W164-W178 HydrophobicContact CH2-CH2 3.52Å; W164-W178 AromaticContact CH2-CZ2 3.89Å; W164-W178 HydrophobicContact CH2-CZ2 3.89Å; W164-W178 AromaticContact CH2-CZ3 3.75Å; W164-W178 HydrophobicContact CH2-CZ3 3.75Å; W164-W178 HydrophobicContact CZ2-CH2 4.45Å; W164-W178 HydrophobicContact CZ2-CZ2 4.4Å; W164-W178 HydrophobicContact CZ3-CH2 4.24Å; W164-W178 HydrophobicContact CZ3-CZ3 4.08Å; E174-W178 WeakPolarHBondContact O-CB 3.49Å; E174-W178 PolarHBondContact O-N 3.41Å; F175-W178 AromaticContact CD2-CE3 3.93Å; F175-W178 HydrophobicContact CD2-CE3 3.93Å; F175-W178 HydrophobicContact CD2-CZ3 4.32Å; F175-W178 AromaticContact CE2-CE3 3.89Å; F175-W178 HydrophobicContact CE2-CE3 3.89Å; F175-W178 AromaticContact CE2-CZ3 3.81Å; F175-W178 HydrophobicContact CE2-CZ3 3.81Å; F175-W178 PolarHBondContact O-N 2.9Å; F175-W178 VanDerWaalsContact O-N 3.16Å; W178-I180 VanDerWaalsContact C-N 3.32Å; W178-I180 PolarHBondContact O-N 2.86Å; W178-R181 PolarHBondContact O-N 2.89Å; W178-R181 VanDerWaalsContact O-N 3.13Å; W178-Y182 HydrophobicContact CZ2-CD2 4.14Å; W178-Y182 HydrophobicContact CZ2-CG 4.26Å; W178-Y182 WeakPolarHBondContact O-CB 3.42Å; W178-Y182 PolarHBondContact O-N 3.16Å
179V89.8Confident87.2Confident56 Ų5648.1 Ų48.134%0.33926%0.258SS..Hα-helixtrans-58.7-44.7176.3170.90000111.1F175 A176 L177 R181 Y182 V183F175-V179 HydrophobicContact CD1-CG2 4.44Å; F175-V179 HydrophobicContact CD2-CG2 4.3Å; F175-V179 HydrophobicContact CE1-CG2 4.1Å; F175-V179 HydrophobicContact CE2-CG2 3.98Å; F175-V179 HydrophobicContact CZ-CG2 3.88Å; F175-V179 WeakPolarHBondContact O-CG2 3.36Å; F175-V179 PolarHBondContact O-N 2.89Å; A176-V179 PolarHBondContact O-N 3.3Å; L177-V179 PolarHBondContact O-N 2.99Å; V179-R181 PolarHBondContact O-N 3.29Å; V179-Y182 PolarHBondContact O-N 3.45Å; V179-V183 HydrophobicContact CG1-CG2 4.42Å; V179-V183 WeakPolarHBondContact O-CB 3.4Å; V179-V183 WeakPolarHBondContact O-CG2 3.29Å; V179-V183 PolarHBondContact O-N 3.45Å
180I89.7Confident87.6Confident81 Ų8150 Ų5042%0.41526%0.255SS..Hα-helixtrans-61.2-45.5176.3-66.3167.2000110.4A176 L177 W178 C184A176-I180 WeakPolarHBondContact O-CG1 3.46Å; A176-I180 PolarHBondContact O-N 3.36Å; A176-I180 VanDerWaalsContact O-N 3.14Å; L177-I180 PolarHBondContact O-N 2.92Å; W178-I180 VanDerWaalsContact C-N 3.32Å; W178-I180 PolarHBondContact O-N 2.86Å; I180-C184 WeakPolarHBondContact O-CB 3.43Å; I180-C184 PolarHBondContact O-N 3.3Å; I180-C184 PolarHBondContact O-SG 2.92Å
181R90.1Very high88.1Confident21 Ų2147 Ų478%0.07924%0.242CC..Hα-helixtrans-61.9-46.1177.4-70.5-167-57.7-125.3-6.2112L79 Q82 Y104 E150 L177 W178 V179 C184 T185L79-R181 HydrophobicContact CD2-CB 4.36Å; L79-R181 HydrophobicContact CD2-CG 4.23Å; Q82-R181 VanDerWaalsContact OE1-CG 3.26Å; Y104-R181 PolarHBondContact OH-NH1 3.2Å; Y104-R181 VanDerWaalsContact OH-NH1 3.16Å; E150-R181 WeakPolarHBondContact OE1-CB 3.47Å; E150-R181 WeakPolarHBondContact OE1-CD 3.48Å; E150-R181 IonicContact OE1-NE 2.63Å; E150-R181 PolarHBondContact OE1-NE 2.96Å; E150-R181 VanDerWaalsContact OE1-NE 3.14Å; E150-R181 IonicContact OE2-NE 3.65Å; L177-R181 PolarHBondContact O-N 3.4Å; W178-R181 PolarHBondContact O-N 2.89Å; W178-R181 VanDerWaalsContact O-N 3.13Å; V179-R181 PolarHBondContact O-N 3.29Å; R181-C184 PolarHBondContact O-N 3.27Å; R181-T185 VanDerWaalsContact O-CB 3.32Å; R181-T185 WeakPolarHBondContact O-CB 3.48Å; R181-T185 VanDerWaalsContact O-CG2 3.28Å; R181-T185 WeakPolarHBondContact O-CG2 3.41Å; R181-T185 PolarHBondContact O-N 3.03Å; R181-T185 PolarHBondContact O-OG1 2.92Å
182Y91.4Very high88.1Confident69 Ų6945.6 Ų45.627%0.27124%0.236SC..Hα-helixtrans-61.5-47.5-178.4-178.1-99.9000111.6F147 E150 F154 W178 V179 T185 G186F147-Y182 HydrophobicContact CE2-CD2 4.3Å; F147-Y182 AromaticContact CE2-CE2 3.82Å; F147-Y182 HydrophobicContact CE2-CE2 3.82Å; F147-Y182 HydrophobicContact CZ-CE2 4.35Å; E150-Y182 HydrophobicContact CB-CD2 3.98Å; F154-Y182 AromaticContact CE2-CE2 3.97Å; F154-Y182 HydrophobicContact CE2-CE2 3.97Å; W178-Y182 HydrophobicContact CZ2-CD2 4.14Å; W178-Y182 HydrophobicContact CZ2-CG 4.26Å; W178-Y182 WeakPolarHBondContact O-CB 3.42Å; W178-Y182 PolarHBondContact O-N 3.16Å; V179-Y182 PolarHBondContact O-N 3.45Å; Y182-T185 PolarHBondContact O-OG1 3.35Å; Y182-G186 PolarHBondContact O-N 2.76Å
183V91.9Very high88Confident72 Ų7245 Ų4544%0.43624%0.235SC..Hα-helixtrans-66.7-46.2178.3174.40000111V179 L187V179-V183 HydrophobicContact CG1-CG2 4.42Å; V179-V183 WeakPolarHBondContact O-CB 3.4Å; V179-V183 WeakPolarHBondContact O-CG2 3.29Å; V179-V183 PolarHBondContact O-N 3.45Å; V183-L187 HydrophobicContact CG1-CD1 3.84Å; V183-L187 HydrophobicContact CG1-CG 4.38Å; V183-L187 WeakPolarHBondContact O-CB 3.49Å; V183-L187 VanDerWaalsContact O-CG 3.3Å; V183-L187 WeakPolarHBondContact O-CG 3.44Å; V183-L187 PolarHBondContact O-N 3.42Å
184C91.7Very high87.6Confident13 Ų1349.2 Ų49.29%0.08825%0.25CS..Hα-helixtrans-65.6-46.4-179.2-73.30000112.2L75 L79 I180 R181 L188L75-C184 HydrophobicContact CD2-CB 4.23Å; L79-C184 HydrophobicContact CD1-CB 4.04Å; L79-C184 HydrophobicContact CD2-CB 3.71Å; L79-C184 HydrophobicContact CG-CB 3.8Å; I180-C184 WeakPolarHBondContact O-CB 3.43Å; I180-C184 PolarHBondContact O-N 3.3Å; I180-C184 PolarHBondContact O-SG 2.92Å; R181-C184 PolarHBondContact O-N 3.27Å; C184-L188 WeakPolarHBondContact O-CB 3.41Å; C184-L188 PolarHBondContact O-N 2.79Å
185T90.9Very high87.2Confident4 Ų448 Ų483%0.02525%0.246CC..Hα-helixtrans-66.3-38.2178.255.10000112.2L79 W112 A146 R181 Y182 L188 F189L79-T185 HydrophobicContact CD1-CG2 3.84Å; L79-T185 HydrophobicContact CD2-CG2 4.07Å; W112-T185 HydrophobicContact CH2-CG2 4.12Å; W112-T185 HydrophobicContact CZ2-CG2 3.98Å; A146-T185 HydrophobicContact CB-CG2 4.44Å; R181-T185 VanDerWaalsContact O-CB 3.32Å; R181-T185 WeakPolarHBondContact O-CB 3.48Å; R181-T185 VanDerWaalsContact O-CG2 3.28Å; R181-T185 WeakPolarHBondContact O-CG2 3.41Å; R181-T185 PolarHBondContact O-N 3.03Å; R181-T185 PolarHBondContact O-OG1 2.92Å; Y182-T185 PolarHBondContact O-OG1 3.35Å; T185-L188 PolarHBondContact O-N 3.06Å; T185-F189 WeakPolarHBondContact O-CB 3.31Å; T185-F189 PolarHBondContact O-N 3.25Å
186G89.8Confident86.3Confident7 Ų745.8 Ų45.87%0.07224%0.237CC..Hα-helixtrans-63.4-51.7174.300000112.5F147 Y182 L188 F189 F190F147-G186 VanDerWaalsContact CD2-CA 3.48Å; Y182-G186 PolarHBondContact O-N 2.76Å; G186-L188 PolarHBondContact O-N 2.72Å; G186-F189 PolarHBondContact O-N 3.17Å; G186-F190 WeakPolarHBondContact O-CD2 3.35Å; G186-F190 PolarHBondContact O-N 3.23Å
187L90.2Very high85.2Confident84 Ų8443.5 Ų43.544%0.4422%0.219SC..Hα-helixtrans-57.8-41175.8-75.7173.7000111.5L75 V183 F190 V191L75-L187 HydrophobicContact CD1-CB 3.89Å; V183-L187 HydrophobicContact CG1-CD1 3.84Å; V183-L187 HydrophobicContact CG1-CG 4.38Å; V183-L187 WeakPolarHBondContact O-CB 3.49Å; V183-L187 VanDerWaalsContact O-CG 3.3Å; V183-L187 WeakPolarHBondContact O-CG 3.44Å; V183-L187 PolarHBondContact O-N 3.42Å; L187-F190 PolarHBondContact O-N 3.11Å; L187-V191 VanDerWaalsContact O-CB 3.31Å; L187-V191 WeakPolarHBondContact O-CB 3.4Å; L187-V191 WeakPolarHBondContact O-CG2 3.47Å; L187-V191 PolarHBondContact O-N 3.11Å
188L88.9Confident84.4Confident1 Ų142.7 Ų42.71%0.00522%0.215CC..Hα-helixtrans-67.4-40.2-179.1-160.6163000111.5L75 L79 W112 W143 C184 T185 G186 G192L75-L188 HydrophobicContact CB-CD1 3.98Å; L75-L188 HydrophobicContact CB-CG 4.46Å; L75-L188 HydrophobicContact CD1-CB 4.36Å; L79-L188 HydrophobicContact CD1-CD1 3.95Å; W112-L188 HydrophobicContact CH2-CD1 4.46Å; W112-L188 HydrophobicContact CZ3-CD1 3.99Å; W143-L188 HydrophobicContact CB-CD2 4.27Å; W143-L188 HydrophobicContact CD2-CD2 3.2Å; W143-L188 HydrophobicContact CE3-CD2 3.89Å; W143-L188 HydrophobicContact CG-CD2 3.38Å; W143-L188 HydrophobicContact CH2-CD2 4.14Å; W143-L188 HydrophobicContact CZ2-CD2 3.51Å; W143-L188 HydrophobicContact CZ3-CD2 4.33Å; C184-L188 WeakPolarHBondContact O-CB 3.41Å; C184-L188 PolarHBondContact O-N 2.79Å; T185-L188 PolarHBondContact O-N 3.06Å; G186-L188 PolarHBondContact O-N 2.72Å; L188-G192 WeakPolarHBondContact O-CA 3.39Å; L188-G192 PolarHBondContact O-N 3.02Å
189F89.1Confident83.3Confident44 Ų4442.8 Ų42.819%0.19322%0.217CC..Hα-helixtrans-62.2-50.5172.8176.6-109.6000112.3W143 A144 F147 T185 G186 G192 L193W143-F189 HydrophobicContact CB-CD2 4.38Å; A144-F189 HydrophobicContact CB-CD2 4.12Å; A144-F189 HydrophobicContact CB-CE2 3.69Å; F147-F189 HydrophobicContact CD1-CD1 4.46Å; T185-F189 WeakPolarHBondContact O-CB 3.31Å; T185-F189 PolarHBondContact O-N 3.25Å; G186-F189 PolarHBondContact O-N 3.17Å; F189-G192 WeakPolarHBondContact O-CA 3.47Å; F189-G192 PolarHBondContact O-N 3.19Å; F189-L193 HydrophobicContact CD1-CD1 4.49Å; F189-L193 HydrophobicContact CE1-CD1 3.96Å; F189-L193 HydrophobicContact CE2-CD2 4.44Å; F189-L193 HydrophobicContact CZ-CD1 4.05Å; F189-L193 HydrophobicContact CZ-CD2 4.39Å; F189-L193 HydrophobicContact CZ-CG 4.39Å; F189-L193 PolarHBondContact O-N 3.14Å
190F87.6Confident81.8Confident132 Ų13250.5 Ų50.558%0.57924%0.24SC*.Hα-helixtrans-65.9-40.9-179.1-74.7-66.3000113.1G186 L187 G192 L193G186-F190 WeakPolarHBondContact O-CD2 3.35Å; G186-F190 PolarHBondContact O-N 3.23Å; L187-F190 PolarHBondContact O-N 3.11Å; F190-G192 VanDerWaalsContact C-N 3.3Å; F190-L193 PolarHBondContact O-N 3.01Å
191V87.1Confident80.4Confident22 Ų2251 Ų5113%0.13324%0.239CC..Hα-helixtrans-68.1-36174177.80000110.3L68 L71 Q72 L187 L193 K194 A195 P196L68-V191 HydrophobicContact CB-CG1 4.4Å; L71-V191 HydrophobicContact CD2-CG2 4.48Å; Q72-V191 HydrophobicContact CG-CB 4.3Å; Q72-V191 HydrophobicContact CG-CG1 3.52Å; L187-V191 VanDerWaalsContact O-CB 3.31Å; L187-V191 WeakPolarHBondContact O-CB 3.4Å; L187-V191 WeakPolarHBondContact O-CG2 3.47Å; L187-V191 PolarHBondContact O-N 3.11Å; V191-L193 PolarHBondContact O-N 3.22Å; V191-K194 WeakPolarHBondContact O-CB 3.4Å; V191-K194 PolarHBondContact O-N 2.96Å; V191-K194 VanDerWaalsContact O-N 3.1Å; V191-A195 PolarHBondContact O-N 3.48Å; V191-P196 HydrophobicContact CG1-CG 3.88Å; V191-P196 WeakPolarHBondContact O-CD 3.26Å
192G82.1Confident78.9Confident0 Ų051.8 Ų51.80%025%0.247CC..Hα-helixtrans-57.7-40.5174.300000114H135 W143 L188 F189 F190 K194 A195H135-G192 PolarHBondContact CD2-O 3Å; W143-G192 VanDerWaalsContact CZ3-CA 3.45Å; L188-G192 WeakPolarHBondContact O-CA 3.39Å; L188-G192 PolarHBondContact O-N 3.02Å; F189-G192 WeakPolarHBondContact O-CA 3.47Å; F189-G192 PolarHBondContact O-N 3.19Å; F190-G192 VanDerWaalsContact C-N 3.3Å; G192-K194 PolarHBondContact O-N 3.27Å; G192-A195 PolarHBondContact O-N 2.96Å; G192-A195 VanDerWaalsContact O-N 3.11Å
193L81.1Confident77.3Confident95 Ų9550.1 Ų50.150%0.49724%0.241SC..Hα-helixtrans-61.1-26175.8-69.7172.3000113.3L140 F189 F190 V191L140-L193 HydrophobicContact CD2-CD2 4.32Å; F189-L193 HydrophobicContact CD1-CD1 4.49Å; F189-L193 HydrophobicContact CE1-CD1 3.96Å; F189-L193 HydrophobicContact CE2-CD2 4.44Å; F189-L193 HydrophobicContact CZ-CD1 4.05Å; F189-L193 HydrophobicContact CZ-CD2 4.39Å; F189-L193 HydrophobicContact CZ-CG 4.39Å; F189-L193 PolarHBondContact O-N 3.14Å; F190-L193 PolarHBondContact O-N 3.01Å; V191-L193 PolarHBondContact O-N 3.22Å
194K75.4Confident75.6Confident135 Ų13550.8 Ų50.859%0.58724%0.241SC*.Hα-helixtrans-88.1-14.2179.7-163.7170.8-178.9173.40113.3V191 G192V191-K194 WeakPolarHBondContact O-CB 3.4Å; V191-K194 PolarHBondContact O-N 2.96Å; V191-K194 VanDerWaalsContact O-N 3.1Å; G192-K194 PolarHBondContact O-N 3.27Å
195A73.8Confident73.7Confident6 Ų653.1 Ų53.15%0.0525%0.252CS..  trans40.957.2-179.200000115.3G134 H135 V191 G192 G197 L198G134-A195 VanDerWaalsContact C-CB 3.49Å; G134-A195 VanDerWaalsContact CA-CB 3.5Å; H135-A195 HydrophobicContact CB-CB 4.5Å; H135-A195 VanDerWaalsContact CD2-CA 3.48Å; H135-A195 WeakPolarHBondContact CD2-CA 3.43Å; H135-A195 VanDerWaalsContact N-CB 3.27Å; V191-A195 PolarHBondContact O-N 3.48Å; G192-A195 PolarHBondContact O-N 2.96Å; G192-A195 VanDerWaalsContact O-N 3.11Å; A195-G197 PolarHBondContact O-N 2.96Å; A195-L198 HydrophobicContact CB-CD1 4.45Å; A195-L198 PolarHBondContact O-N 2.74Å
196P67.1Low72Confident16 Ų1655.9 Ų55.910%0.10427%0.266CS..THydrogen-bonded Turntrans-66.8-12.3-167.328.6-37.3000115.2S66 L68 V191S66-P196 WeakPolarHBondContact CB-O 3.48Å; S66-P196 PolarHBondContact OG-O 2.93Å; L68-P196 HydrophobicContact CB-CB 3.51Å; L68-P196 HydrophobicContact CB-CG 3.63Å; L68-P196 HydrophobicContact CD1-CB 4.12Å; L68-P196 HydrophobicContact CG-CB 4.47Å; V191-P196 HydrophobicContact CG1-CG 3.88Å; V191-P196 WeakPolarHBondContact O-CD 3.26Å
197G64.1Low70.2Confident2 Ų260.5 Ų60.52%0.02129%0.288CS..THydrogen-bonded Turntrans-92-1.5179.600000115.2P64 A195P64-G197 WeakPolarHBondContact CG-O 3.38Å; A195-G197 PolarHBondContact O-N 2.96Å
198L71.3Confident68.2Low24 Ų2460.7 Ų60.713%0.12629%0.289CS..SBendtrans-114.3148.6-177.8-69.1170.1000111.6M58 E122 G134 A195M58-L198 HydrophobicContact CE-CD2 4.22Å; E122-L198 WeakPolarHBondContact O-CD2 3.49Å; G134-L198 WeakPolarHBondContact O-CD1 3.02Å; A195-L198 HydrophobicContact CB-CD1 4.45Å; A195-L198 PolarHBondContact O-N 2.74Å
199P65.4Low65.9Low15 Ų1565.2 Ų65.210%0.09731%0.311CS..  trans-64.2135.817625.5-32.3000111.2M58 T132 K201 L206M58-P199 HydrophobicContact SD-CG 4.43Å; T132-P199 PolarHBondContact OG1-O 2.84Å; P199-K201 PolarHBondContact O-N 3.16Å; P199-L206 HydrophobicContact CB-CD1 3.96Å
200R60Low63.7Low217 Ų21771.2 Ų71.282%0.81935%0.345SS*.SBendtrans-70.2-16.8-178.8-72.2-174.8176177.11.6114.2
201K58.9Low61.6Low91 Ų9172.5 Ų72.540%0.39635%0.353SS..SBendtrans-110.8143177.8-64.1-173.8-176-177.50108.4P199 Y203 L206 E209P199-K201 PolarHBondContact O-N 3.16Å; K201-Y203 PolarHBondContact O-N 3.24Å; K201-L206 HydrophobicContact CB-CD1 4.09Å; K201-L206 HydrophobicContact CB-CD2 4.25Å; K201-L206 HydrophobicContact CB-CG 3.86Å; K201-L206 HydrophobicContact CD-CD2 4.25Å; K201-E209 WeakPolarHBondContact CD-OE1 3.21Å; K201-E209 VanDerWaalsContact CE-OE1 3.25Å; K201-E209 WeakPolarHBondContact CE-OE1 3.4Å; K201-E209 IonicContact NZ-OE1 3.44Å; K201-E209 PolarHBondContact NZ-OE1 2.99Å; K201-E209 IonicContact NZ-OE2 3.14Å; K201-E209 PolarHBondContact NZ-OE2 3.28Å
202P59.4Low59.2Low38 Ų3880.9 Ų80.925%0.24738%0.382CS..  trans-54.7137.5175.1-19.530000109.5I204 L205 L206P202-I204 PolarHBondContact O-N 3.11Å; P202-I204 VanDerWaalsContact O-N 3.12Å; P202-L205 HydrophobicContact CB-CB 4.23Å; P202-L205 HydrophobicContact CG-CB 4.3Å; P202-L205 HydrophobicContact CG-CD1 3.91Å; P202-L205 WeakPolarHBondContact O-CA 3.21Å; P202-L205 WeakPolarHBondContact O-CB 3.48Å; P202-L205 PolarHBondContact O-N 3.31Å; P202-L206 PolarHBondContact O-N 3.4Å; P202-L206 VanDerWaalsContact O-N 3.16Å
203Y57.4Low56.9Low35 Ų3588.3 Ų88.314%0.13742%0.421CS..Hα-helixtrans-54.3-35-176.7-173.8-106.5000112.6M58 F62 K201 L205 L206 I207M58-Y203 HydrophobicContact CG-CD2 4.49Å; M58-Y203 HydrophobicContact CG-CE2 4.39Å; F62-Y203 HydrophobicContact CB-CE2 4.14Å; F62-Y203 AromaticContact CD2-CE2 4Å; F62-Y203 HydrophobicContact CD2-CE2 4Å; F62-Y203 HydrophobicContact CG-CE2 4.1Å; K201-Y203 PolarHBondContact O-N 3.24Å; Y203-L205 PolarHBondContact O-N 3.15Å; Y203-L206 PolarHBondContact O-N 2.69Å; Y203-I207 HydrophobicContact CD1-CD1 4.08Å; Y203-I207 HydrophobicContact CE1-CD1 3.81Å; Y203-I207 WeakPolarHBondContact O-CG1 3.39Å; Y203-I207 PolarHBondContact O-N 2.98Å
204I55.6Low54.9Low86 Ų8690.1 Ų90.144%0.44144%0.436SS..Hα-helixtrans-65.2-32.6173.1-95.4164000113.7L128 P202 I207 N208L128-I204 HydrophobicContact CD2-CD1 4.03Å; L128-I204 WeakPolarHBondContact O-CD1 3.45Å; P202-I204 PolarHBondContact O-N 3.11Å; P202-I204 VanDerWaalsContact O-N 3.12Å; I204-I207 PolarHBondContact O-N 3.41Å; I204-N208 PolarHBondContact O-N 2.98Å; I204-N208 VanDerWaalsContact O-N 3.15Å
205L53Low52.8Low62 Ų6289.1 Ų89.133%0.32543%0.434SS..Hα-helixtrans-80.3-25.7-179.9-115.8152000112P202 Y203 N208 E209P202-L205 HydrophobicContact CB-CB 4.23Å; P202-L205 HydrophobicContact CG-CB 4.3Å; P202-L205 HydrophobicContact CG-CD1 3.91Å; P202-L205 WeakPolarHBondContact O-CA 3.21Å; P202-L205 WeakPolarHBondContact O-CB 3.48Å; P202-L205 PolarHBondContact O-N 3.31Å; Y203-L205 PolarHBondContact O-N 3.15Å; L205-N208 CarbonylContact O-C 3.54Å; L205-N208 PolarHBondContact O-N 3.08Å; L205-E209 WeakPolarHBondContact O-CB 3.43Å; L205-E209 PolarHBondContact O-N 3.35Å
206L54.7Low50.8Low61 Ų6195 Ų9532%0.31946%0.464SS..Hα-helixtrans-72.3-19.7170-76157.2000112.6P199 K201 P202 Y203P199-L206 HydrophobicContact CB-CD1 3.96Å; K201-L206 HydrophobicContact CB-CD1 4.09Å; K201-L206 HydrophobicContact CB-CD2 4.25Å; K201-L206 HydrophobicContact CB-CG 3.86Å; K201-L206 HydrophobicContact CD-CD2 4.25Å; P202-L206 PolarHBondContact O-N 3.4Å; P202-L206 VanDerWaalsContact O-N 3.16Å; Y203-L206 PolarHBondContact O-N 2.69Å
207I52.5Low48.9Very low104 Ų10498.3 Ų98.353%0.53349%0.488SS..Hα-helixtrans-87.6-29.6173-65167.7000110.8Y203 I204Y203-I207 HydrophobicContact CD1-CD1 4.08Å; Y203-I207 HydrophobicContact CE1-CD1 3.81Å; Y203-I207 WeakPolarHBondContact O-CG1 3.39Å; Y203-I207 PolarHBondContact O-N 2.98Å; I204-I207 PolarHBondContact O-N 3.41Å
208N48.4Very low47.3Very low88 Ų88101.6 Ų101.647%0.47152%0.515SS..SBendtrans-108.429.9-176-75.719.1000114.2I204 L205 D210I204-N208 PolarHBondContact O-N 2.98Å; I204-N208 VanDerWaalsContact O-N 3.15Å; L205-N208 CarbonylContact O-C 3.54Å; L205-N208 PolarHBondContact O-N 3.08Å; N208-D210 PolarHBondContact O-N 2.9Å; N208-D210 VanDerWaalsContact O-N 3.13Å
209E40.9Very low45.9Very low97 Ų97107.1 Ų107.145%0.45354%0.54SS..THydrogen-bonded Turntrans-84.527.4-173.9-128.8170.5-154.100115.9K201 L205K201-E209 WeakPolarHBondContact CD-OE1 3.21Å; K201-E209 VanDerWaalsContact CE-OE1 3.25Å; K201-E209 WeakPolarHBondContact CE-OE1 3.4Å; K201-E209 IonicContact NZ-OE1 3.44Å; K201-E209 PolarHBondContact NZ-OE1 2.99Å; K201-E209 IonicContact NZ-OE2 3.14Å; K201-E209 PolarHBondContact NZ-OE2 3.28Å; L205-E209 WeakPolarHBondContact O-CB 3.43Å; L205-E209 PolarHBondContact O-N 3.35Å
210D42.3Very low44.2Very low169 Ų169108.2 Ų108.290%0.90455%0.548SS*.THydrogen-bonded Turntrans-109.54.1170.1-81.2-33000113.9N208N208-D210 PolarHBondContact O-N 2.9Å; N208-D210 VanDerWaalsContact O-N 3.13Å
211E42.4Very low43.1Very low160 Ų160100.2 Ų100.275%0.74852%0.521SS*.SBendtrans-128.614.6-160.8-101.6-171.2171.100120.1
212R36.9Very low42Very low197 Ų197100.5 Ų100.574%0.74353%0.526SS*.  trans-132.718.8-171.9-77.3-167.6-165.2178.46.6121.1
213D34.1Very low40.7Very low156 Ų156101.2 Ų101.283%0.83454%0.541SS*.SBendtrans-106.38.9-177.5-72.5-22.1000116.6
214V38.5Very low39.7Very low134 Ų134109.4 Ų109.481%0.81257%0.571SS**SBendtrans-108.8-14.2-173.9-173.90000115.1
215E32.8Very low38.6Very low114 Ų114110.6 Ų110.653%0.53359%0.585SS.*SBendtrans-96.4-19-169.1-95.7-174.6138.800117.5R716E215-R716 VanDerWaalsContact CD-NH1 3.28Å; E215-R716 IonicContact OE1-CZ 3.75Å; E215-R716 IonicContact OE1-NH1 3.65Å; E215-R716 PolarHBondContact OE1-NH1 2.76Å; E215-R716 IonicContact OE1-NH2 2.62Å; E215-R716 PolarHBondContact OE1-NH2 2.89Å; E215-R716 IonicContact OE2-NH1 3.94Å
216N30.3Very low38.1Very low129 Ų129112 Ų11269%0.6959%0.59SS**SBendtrans-92.9-10.8-172.4-68.9-31.6000114.4
217S28.8Very low37.2Very low86 Ų86117.4 Ų117.460%0.60161%0.613SS**SBendtrans-86.2-20.7-170.3-390000114
218A30.5Very low36.5Very low70 Ų70120.1 Ų120.158%0.57963%0.629SS**SBendtrans-97.21.1-174.300000114.3S220A218-S220 PolarHBondContact O-N 3.29Å
219Q41.2Very low36.3Very low140 Ų140122.8 Ų122.865%0.65464%0.639SS**THydrogen-bonded Turntrans-83.1-2-162.4-100.4163.7-12.800116.8
220S28.6Very low36.8Very low39 Ų39121.6 Ų121.627%0.27364%0.641SS.*THydrogen-bonded Turntrans-1064.1-17076.70000117A218 L222 N440 K443A218-S220 PolarHBondContact O-N 3.29Å; S220-L222 PolarHBondContact O-N 3.33Å; S220-N440 PolarHBondContact O-OD1 3.06Å; S220-K443 WeakPolarHBondContact OG-CD 3.18Å
221L37.2Very low37.3Very low48 Ų48115 Ų11525%0.25161%0.607SS.*  trans-86.5-2.1-150-97168000120.5S444 V447L221-S444 VanDerWaalsContact CD2-CA 3.49Å; L221-V447 HydrophobicContact CD1-CB 3.94Å; L221-V447 HydrophobicContact CD1-CG1 3.79Å; L221-V447 HydrophobicContact CD1-CG2 3.91Å
222L36.9Very low37.9Very low97 Ų97113.5 Ų113.551%0.50859%0.594SS.*  trans-146.699.5-176.5-68169.6000113.8S220S220-L222 PolarHBondContact O-N 3.33Å
223G31.6Very low38.9Very low53 Ų53110.6 Ų110.655%0.54659%0.589SS.*  trans-98.7115.415900000109.6
224R35.5Very low40.1Very low207 Ų207105.2 Ų105.278%0.78157%0.571SS**  trans-65.4147169.9-93.9178164.9160.1-4.8110E226R224-E226 PolarHBondContact O-N 3.09Å
225P34.3Very low41.5Very low111 Ų111101.7 Ų101.772%0.72155%0.545SS*.  trans-72.8109.3165.629.5-27.6000107.7
226E41.4Very low43.2Very low91 Ų91105.4 Ų105.443%0.42555%0.554SS.*  trans-83.4140.6175.4-69.9-164.4165.700112.3R224 I552R224-E226 PolarHBondContact O-N 3.09Å; E226-I552 WeakPolarHBondContact OE1-CG2 3.32Å; E226-I552 WeakPolarHBondContact OE2-CD1 3.41Å; E226-I552 WeakPolarHBondContact OE2-CG2 3.35Å
227E37Very low45.1Very low175 Ų175106.8 Ų106.882%0.81855%0.554SS**  trans-66.4145.2175.2-75176.6140.400111.9Q229E227-Q229 PolarHBondContact O-N 2.95Å
228N37Very low47.1Very low162 Ų162104.6 Ų104.687%0.86653%0.533SS*.  trans-67.283.4176.2-77.7-20.9000111.6
229Q44.2Very low48.9Very low143 Ų143103.5 Ų103.567%0.66852%0.519SS*.  trans-112.5133.1158.3-73.1-171.40.400110.3E227 T231E227-Q229 PolarHBondContact O-N 2.95Å; Q229-T231 PolarHBondContact O-N 3.02Å; Q229-T231 VanDerWaalsContact O-N 3.15Å
230S50.4Low50.4Low72 Ų72104.5 Ų104.550%0.50352%0.517SS..  trans-58.1118.5177.9175.40000109.8W232 Q233S230-W232 PolarHBondContact O-N 2.95Å; S230-Q233 PolarHBondContact O-N 3.14Å
231T54Low52.2Low31 Ų31106.2 Ų106.219%0.1952%0.523CS..THydrogen-bonded Turntrans-57.7-18.7-174.5-37.10000113.9Q229 Q548 F551Q229-T231 PolarHBondContact O-N 3.02Å; Q229-T231 VanDerWaalsContact O-N 3.15Å; T231-Q548 HydrophobicContact CG2-CB 3.92Å; T231-Q548 HydrophobicContact CG2-CG 3.79Å; T231-Q548 PolarHBondContact OG1-NE2 2.88Å; T231-F551 HydrophobicContact CG2-CB 4.33Å
232W55.7Low53.7Low128 Ų128104.2 Ų104.249%0.48551%0.512SS..THydrogen-bonded Turntrans-92.7-12.6-179-70.896000114.4S230 G234 F235 Y544S230-W232 PolarHBondContact O-N 2.95Å; W232-G234 PolarHBondContact O-N 3.42Å; W232-G234 VanDerWaalsContact O-N 3.13Å; W232-F235 HydrophobicContact CE3-CB 4.03Å; W232-F235 HydrophobicContact CE3-CD1 4.5Å; W232-F235 AromaticContact CE3-CD2 3.74Å; W232-F235 HydrophobicContact CE3-CD2 3.74Å; W232-F235 HydrophobicContact CE3-CE2 4.3Å; W232-F235 AromaticContact CE3-CG 3.85Å; W232-F235 HydrophobicContact CE3-CG 3.85Å; W232-F235 HydrophobicContact CH2-CD2 4.42Å; W232-F235 HydrophobicContact CH2-CE2 4.19Å; W232-F235 HydrophobicContact CZ3-CD1 4.2Å; W232-F235 AromaticContact CZ3-CD2 3.54Å; W232-F235 HydrophobicContact CZ3-CD2 3.54Å; W232-F235 HydrophobicContact CZ3-CE1 4.28Å; W232-F235 AromaticContact CZ3-CE2 3.62Å; W232-F235 HydrophobicContact CZ3-CE2 3.62Å; W232-F235 AromaticContact CZ3-CG 3.84Å; W232-F235 HydrophobicContact CZ3-CG 3.84Å; W232-F235 HydrophobicContact CZ3-CZ 4.02Å; W232-F235 PolarHBondContact O-N 3.24Å; W232-Y544 HydrophobicContact CZ2-CE2 4.16Å; W232-Y544 AromaticContact NE1-CE2 3.72Å
233Q56.2Low55.3Low136 Ų136103.4 Ų103.464%0.63651%0.511SS*.THydrogen-bonded Turntrans-62.8119.2173.3-78.8-177.9-9.500109.6S230S230-Q233 PolarHBondContact O-N 3.14Å
234G60.5Low57.1Low43 Ų43103.3 Ų103.344%0.44350%0.501SS..THydrogen-bonded Turntrans79.812.8179.600000115.9W232 R236 K237 K238W232-G234 PolarHBondContact O-N 3.42Å; W232-G234 VanDerWaalsContact O-N 3.13Å; G234-R236 PolarHBondContact O-N 3.49Å; G234-R236 VanDerWaalsContact O-N 3.11Å; G234-K237 WeakPolarHBondContact O-CA 3.02Å; G234-K237 WeakPolarHBondContact O-CB 3.33Å; G234-K237 PolarHBondContact O-N 3.36Å; G234-K238 PolarHBondContact O-N 3.15Å
235F66.6Low58.6Low61 Ų6196.9 Ų96.927%0.26848%0.477SS..Hα-helixtrans-46.4-44.5177.7178.5-94.9000112.9W232 K237 K238 V239 I380 F551W232-F235 HydrophobicContact CE3-CB 4.03Å; W232-F235 HydrophobicContact CE3-CD1 4.5Å; W232-F235 AromaticContact CE3-CD2 3.74Å; W232-F235 HydrophobicContact CE3-CD2 3.74Å; W232-F235 HydrophobicContact CE3-CE2 4.3Å; W232-F235 AromaticContact CE3-CG 3.85Å; W232-F235 HydrophobicContact CE3-CG 3.85Å; W232-F235 HydrophobicContact CH2-CD2 4.42Å; W232-F235 HydrophobicContact CH2-CE2 4.19Å; W232-F235 HydrophobicContact CZ3-CD1 4.2Å; W232-F235 AromaticContact CZ3-CD2 3.54Å; W232-F235 HydrophobicContact CZ3-CD2 3.54Å; W232-F235 HydrophobicContact CZ3-CE1 4.28Å; W232-F235 AromaticContact CZ3-CE2 3.62Å; W232-F235 HydrophobicContact CZ3-CE2 3.62Å; W232-F235 AromaticContact CZ3-CG 3.84Å; W232-F235 HydrophobicContact CZ3-CG 3.84Å; W232-F235 HydrophobicContact CZ3-CZ 4.02Å; W232-F235 PolarHBondContact O-N 3.24Å; F235-K237 PolarHBondContact O-N 2.9Å; F235-K238 PolarHBondContact O-N 3.05Å; F235-V239 HydrophobicContact CD1-CG2 4.1Å; F235-V239 HydrophobicContact CD2-CG2 4.39Å; F235-V239 HydrophobicContact CE1-CG2 3.74Å; F235-V239 HydrophobicContact CE2-CG2 4.07Å; F235-V239 HydrophobicContact CG-CG2 4.41Å; F235-V239 HydrophobicContact CZ-CG2 3.73Å; F235-V239 WeakPolarHBondContact O-CG2 3.31Å; F235-V239 PolarHBondContact O-N 3.02Å; F235-I380 HydrophobicContact CE2-CD1 4.42Å; F235-I380 HydrophobicContact CZ-CD1 4.23Å; F235-F551 HydrophobicContact CD2-CE1 4.3Å; F235-F551 AromaticContact CD2-CE2 3.64Å; F235-F551 HydrophobicContact CD2-CE2 3.64Å; F235-F551 AromaticContact CD2-CZ 3.36Å; F235-F551 HydrophobicContact CD2-CZ 3.36Å; F235-F551 AromaticContact CE2-CE2 3.54Å; F235-F551 HydrophobicContact CE2-CE2 3.54Å; F235-F551 AromaticContact CE2-CZ 3.33Å; F235-F551 HydrophobicContact CE2-CZ 3.33Å; F235-F551 HydrophobicContact CZ-CZ 4.44Å
236R70.3Confident60.1Low192 Ų19294.2 Ų94.273%0.72546%0.456SS*.Hα-helixtrans-62.5-38.4177.5-170.9177.6-175.5179.61.9113.2G234 R240G234-R236 PolarHBondContact O-N 3.49Å; G234-R236 VanDerWaalsContact O-N 3.11Å; R236-R240 VanDerWaalsContact O-CB 3.25Å; R236-R240 WeakPolarHBondContact O-CB 3.45Å; R236-R240 PolarHBondContact O-N 2.96Å
237K69.9Low61.8Low157 Ų15794.9 Ų94.968%0.68346%0.455SS*.Hα-helixtrans-68.2-44.7176.3-170.5-178.1178.3-172.80109.9G234 F235 R240 L241G234-K237 WeakPolarHBondContact O-CA 3.02Å; G234-K237 WeakPolarHBondContact O-CB 3.33Å; G234-K237 PolarHBondContact O-N 3.36Å; F235-K237 PolarHBondContact O-N 2.9Å; K237-R240 PolarHBondContact O-N 3.22Å; K237-L241 HydrophobicContact CG-CD1 4.46Å; K237-L241 WeakPolarHBondContact O-CG 3.48Å; K237-L241 PolarHBondContact O-N 3.38Å
238K69.4Low63.6Low41 Ų4186.6 Ų86.618%0.17842%0.416CS..Hα-helixtrans-61.8-46177.8-61.8-172-170.8-166.10111.9G234 F235 L241 L242 F551 M554 E555G234-K238 PolarHBondContact O-N 3.15Å; F235-K238 PolarHBondContact O-N 3.05Å; K238-L241 PolarHBondContact O-N 3.32Å; K238-L242 PolarHBondContact O-N 3.49Å; K238-F551 HydrophobicContact CB-CD1 4.19Å; K238-F551 HydrophobicContact CB-CE1 3.75Å; K238-F551 HydrophobicContact CD-CD1 3.73Å; K238-F551 HydrophobicContact CD-CE1 4.09Å; K238-M554 HydrophobicContact CB-CE 4.16Å; K238-M554 HydrophobicContact CD-CE 4.44Å; K238-E555 IonicContact NZ-OE2 3.46Å; K238-E555 PolarHBondContact NZ-OE2 2.93Å
239V68.4Low65.2Low46 Ų4687.4 Ų87.428%0.27941%0.407SS..Hα-helixtrans-65.8-40.2175.4174.10000111.9F235 L241 L242 V243 F551F235-V239 HydrophobicContact CD1-CG2 4.1Å; F235-V239 HydrophobicContact CD2-CG2 4.39Å; F235-V239 HydrophobicContact CE1-CG2 3.74Å; F235-V239 HydrophobicContact CE2-CG2 4.07Å; F235-V239 HydrophobicContact CG-CG2 4.41Å; F235-V239 HydrophobicContact CZ-CG2 3.73Å; F235-V239 WeakPolarHBondContact O-CG2 3.31Å; F235-V239 PolarHBondContact O-N 3.02Å; V239-L241 VanDerWaalsContact C-N 3.26Å; V239-L241 PolarHBondContact O-N 3.21Å; V239-L242 WeakPolarHBondContact O-CB 3.23Å; V239-L242 PolarHBondContact O-N 3.42Å; V239-V243 WeakPolarHBondContact O-CG2 3.44Å; V239-V243 PolarHBondContact O-N 3.31Å; V239-F551 HydrophobicContact CG2-CZ 4.48Å
240R72.5Confident66.7Low161 Ų16184.5 Ų84.561%0.60842%0.416SS*.Hα-helixtrans-63-33.8176.6-175.5-179-73166.8-6.4112.4R236 K237 L242 P244R236-R240 VanDerWaalsContact O-CB 3.25Å; R236-R240 WeakPolarHBondContact O-CB 3.45Å; R236-R240 PolarHBondContact O-N 2.96Å; K237-R240 PolarHBondContact O-N 3.22Å; R240-L242 VanDerWaalsContact C-N 3.3Å; R240-P244 WeakPolarHBondContact O-CD 3.2Å
241L67.8Low68.4Low76 Ų7684 Ų8440%0.39841%0.407SS..Hα-helixtrans-68.9-28174.2-72.7164.9000112.6K237 K238 V239 P244 Y245K237-L241 HydrophobicContact CG-CD1 4.46Å; K237-L241 WeakPolarHBondContact O-CG 3.48Å; K237-L241 PolarHBondContact O-N 3.38Å; K238-L241 PolarHBondContact O-N 3.32Å; V239-L241 VanDerWaalsContact C-N 3.26Å; V239-L241 PolarHBondContact O-N 3.21Å; L241-P244 WeakPolarHBondContact O-CD 3.46Å; L241-Y245 WeakPolarHBondContact O-CD2 3.48Å; L241-Y245 WeakPolarHBondContact O-CE2 3.49Å
242L67.6Low69.9Low5 Ų588.4 Ų88.43%0.02643%0.428CS..Hα-helixtrans-76.6-39.6179.6-77.3158.8000113.4K238 V239 R240 P244 Y245 M246 I373 L376 M554K238-L242 PolarHBondContact O-N 3.49Å; V239-L242 WeakPolarHBondContact O-CB 3.23Å; V239-L242 PolarHBondContact O-N 3.42Å; R240-L242 VanDerWaalsContact C-N 3.3Å; L242-P244 VanDerWaalsContact C-CD 3.45Å; L242-Y245 PolarHBondContact O-N 3.46Å; L242-M246 HydrophobicContact CB-SD 4.11Å; L242-M246 VanDerWaalsContact O-CG 3.32Å; L242-M246 WeakPolarHBondContact O-CG 3.23Å; L242-M246 PolarHBondContact O-N 3.02Å; L242-I373 HydrophobicContact CD2-CB 4.36Å; L242-I373 HydrophobicContact CD2-CG1 3.96Å; L242-I373 HydrophobicContact CD2-CG2 3.82Å; L242-L376 HydrophobicContact CD1-CD2 3.91Å; L242-M554 HydrophobicContact CD1-CE 4.46Å; L242-M554 HydrophobicContact CD1-SD 3.75Å; L242-M554 HydrophobicContact CD2-SD 3.68Å; L242-M554 HydrophobicContact CG-SD 3.89Å
243V70.3Confident71.5Confident80 Ų8088.3 Ų88.349%0.48544%0.436SS..Hα-helixtrans-51.9-42.7-174.1172.40000114V239 Y245 M246 W247V239-V243 WeakPolarHBondContact O-CG2 3.44Å; V239-V243 PolarHBondContact O-N 3.31Å; V243-Y245 VanDerWaalsContact C-N 3.29Å; V243-Y245 PolarHBondContact O-N 2.8Å; V243-M246 PolarHBondContact O-N 3.25Å; V243-W247 PolarHBondContact O-N 2.77Å
244P71.1Confident73.1Confident52 Ų5282.8 Ų82.834%0.33841%0.411SS..Hα-helixtrans-63.9-29.8177.5-22.833.6000114.6R240 L241 L242R240-P244 WeakPolarHBondContact O-CD 3.2Å; L241-P244 WeakPolarHBondContact O-CD 3.46Å; L242-P244 VanDerWaalsContact C-CD 3.45Å
245Y66.6Low74.5Confident72 Ų7282.7 Ų82.728%0.28240%0.399SS..Hα-helixtrans-85.2-26.7178.7-62.5-78.6000112.3L241 L242 V243 V338 F558L241-Y245 WeakPolarHBondContact O-CD2 3.48Å; L241-Y245 WeakPolarHBondContact O-CE2 3.49Å; L242-Y245 PolarHBondContact O-N 3.46Å; V243-Y245 VanDerWaalsContact C-N 3.29Å; V243-Y245 PolarHBondContact O-N 2.8Å; Y245-V338 HydrophobicContact CD1-CG2 4.32Å; Y245-F558 HydrophobicContact CE2-CE1 4.15Å; Y245-F558 HydrophobicContact CE2-CZ 4.41Å
246M64.5Low75.6Confident54 Ų5485 Ų8527%0.26641%0.413SS..Hα-helixtrans-72.4-30.7176.5-68.2171.643.500113.3L242 V243 P248 L377L242-M246 HydrophobicContact CB-SD 4.11Å; L242-M246 VanDerWaalsContact O-CG 3.32Å; L242-M246 WeakPolarHBondContact O-CG 3.23Å; L242-M246 PolarHBondContact O-N 3.02Å; V243-M246 PolarHBondContact O-N 3.25Å; M246-P248 VanDerWaalsContact O-CD 3.27Å; M246-P248 WeakPolarHBondContact O-CD 3.23Å; M246-L377 HydrophobicContact CE-CD1 3.14Å; M246-L377 HydrophobicContact CE-CD2 4.28Å; M246-L377 HydrophobicContact CE-CG 4.32Å; M246-L377 HydrophobicContact CG-CD1 4.29Å; M246-L377 HydrophobicContact CG-CD2 3.97Å; M246-L377 HydrophobicContact SD-CD1 3.73Å; M246-L377 HydrophobicContact SD-CD2 4.49Å
247W77.2Confident76.6Confident106 Ų10677 Ų7740%0.40239%0.385SS..SBendtrans-80.8116.4178.6-168.6-94.3000109V243 R249 Q255V243-W247 PolarHBondContact O-N 2.77Å; W247-R249 PolarHBondContact O-N 3.26Å; W247-Q255 HydrophobicContact CD2-CG 4.5Å; W247-Q255 HydrophobicContact CH2-CB 4.37Å; W247-Q255 HydrophobicContact CZ2-CB 3.88Å; W247-Q255 HydrophobicContact CZ2-CG 3.74Å
248P75.6Confident77.6Confident1 Ų170.3 Ų70.31%0.00636%0.357CS..  trans-69.182.117827.5-31.7000109.7M246 G250 L254 Q255 V258 F333M246-P248 VanDerWaalsContact O-CD 3.27Å; M246-P248 WeakPolarHBondContact O-CD 3.23Å; P248-G250 PolarHBondContact O-N 3Å; P248-L254 HydrophobicContact CB-CB 3.81Å; P248-L254 HydrophobicContact CB-CD1 4.18Å; P248-L254 HydrophobicContact CG-CB 3.66Å; P248-Q255 HydrophobicContact CG-CG 3.95Å; P248-Q255 WeakPolarHBondContact O-CG 3.32Å; P248-Q255 PolarHBondContact O-NE2 3.13Å; P248-V258 HydrophobicContact CG-CG2 4.4Å; P248-F333 HydrophobicContact CB-CD1 3.82Å; P248-F333 HydrophobicContact CB-CE1 3.68Å; P248-F333 HydrophobicContact CB-CZ 4.48Å
249R71.3Confident78.6Confident178 Ų17872.9 Ų72.967%0.67237%0.372SS*.THydrogen-bonded Turntrans-65.1128.9177.6-70.5-176.1-179.8-177.9-0.1108.7W247W247-R249 PolarHBondContact O-N 3.26Å
250G76Confident79.8Confident83 Ų8376 Ų7686%0.85638%0.382SS*.THydrogen-bonded Turntrans100.4-12.8177.300000116P248P248-G250 PolarHBondContact O-N 3Å
251N84.1Confident80.7Confident62 Ų6268.3 Ų68.333%0.33235%0.353SS..  trans-128.1104.5176.7-167.1-22.4000112.2I253 L254 Q255N251-I253 VanDerWaalsContact C-N 3.28Å; N251-I253 PolarHBondContact O-N 3.42Å; N251-I253 WeakPolarHBondContact OD1-CB 3.25Å; N251-I253 PolarHBondContact OD1-N 2.58Å; N251-I253 VanDerWaalsContact OD1-N 3.13Å; N251-L254 HydrophobicContact CB-CB 4.35Å; N251-L254 HydrophobicContact CB-CD1 4.06Å; N251-L254 HydrophobicContact CB-CG 4.26Å; N251-L254 PolarHBondContact O-N 3.35Å; N251-Q255 WeakPolarHBondContact O-CG 3.47Å; N251-Q255 PolarHBondContact O-N 2.9Å
252I86.6Confident81.8Confident123 Ų12368.4 Ų68.463%0.63135%0.354SS*.Hα-helixtrans-62-35.6-177.1-57.6169.3000111.2L254 Q255 L256I252-L254 VanDerWaalsContact C-N 3.34Å; I252-L254 PolarHBondContact O-N 3.1Å; I252-Q255 PolarHBondContact O-N 3.35Å; I252-L256 HydrophobicContact CG2-CD1 4.24Å; I252-L256 HydrophobicContact CG2-CG 4.38Å; I252-L256 WeakPolarHBondContact O-CG 3.36Å; I252-L256 PolarHBondContact O-N 3.42Å
253I89.8Confident83Confident126 Ų12670 Ų7065%0.64637%0.372SS*.Hα-helixtrans-62.9-42.9-179.9-60.1172.9000110.4N251 Q255 L256 L257N251-I253 VanDerWaalsContact C-N 3.28Å; N251-I253 PolarHBondContact O-N 3.42Å; N251-I253 WeakPolarHBondContact OD1-CB 3.25Å; N251-I253 PolarHBondContact OD1-N 2.58Å; N251-I253 VanDerWaalsContact OD1-N 3.13Å; I253-Q255 VanDerWaalsContact C-N 3.34Å; I253-L256 PolarHBondContact O-N 3.42Å; I253-L257 WeakPolarHBondContact O-CB 3.31Å; I253-L257 PolarHBondContact O-N 2.81Å
254L88.3Confident84Confident20 Ų2067.2 Ų67.211%0.10535%0.354CS..Hα-helixtrans-68.6-34.4177.9-68.3176.4000111.8P248 N251 I252 L257 V258 F333P248-L254 HydrophobicContact CB-CB 3.81Å; P248-L254 HydrophobicContact CB-CD1 4.18Å; P248-L254 HydrophobicContact CG-CB 3.66Å; N251-L254 HydrophobicContact CB-CB 4.35Å; N251-L254 HydrophobicContact CB-CD1 4.06Å; N251-L254 HydrophobicContact CB-CG 4.26Å; N251-L254 PolarHBondContact O-N 3.35Å; I252-L254 VanDerWaalsContact C-N 3.34Å; I252-L254 PolarHBondContact O-N 3.1Å; L254-L257 PolarHBondContact O-N 2.86Å; L254-V258 WeakPolarHBondContact O-CG2 3.07Å; L254-V258 PolarHBondContact O-N 3.11Å; L254-F333 HydrophobicContact CD1-CB 4.01Å; L254-F333 HydrophobicContact CD1-CD1 4.15Å; L254-F333 HydrophobicContact CD1-CD2 3.62Å; L254-F333 HydrophobicContact CD1-CE2 4.1Å; L254-F333 HydrophobicContact CD1-CG 3.64Å
255Q90.1Very high85Confident41 Ų4165.2 Ų65.219%0.19234%0.34CS..Hα-helixtrans-66.2-45.7175.9-65.7172.35.100111.7W247 P248 N251 I252 I253 L257 V258 L259W247-Q255 HydrophobicContact CD2-CG 4.5Å; W247-Q255 HydrophobicContact CH2-CB 4.37Å; W247-Q255 HydrophobicContact CZ2-CB 3.88Å; W247-Q255 HydrophobicContact CZ2-CG 3.74Å; P248-Q255 HydrophobicContact CG-CG 3.95Å; P248-Q255 WeakPolarHBondContact O-CG 3.32Å; P248-Q255 PolarHBondContact O-NE2 3.13Å; N251-Q255 WeakPolarHBondContact O-CG 3.47Å; N251-Q255 PolarHBondContact O-N 2.9Å; I252-Q255 PolarHBondContact O-N 3.35Å; I253-Q255 VanDerWaalsContact C-N 3.34Å; Q255-L257 VanDerWaalsContact C-N 3.26Å; Q255-L257 PolarHBondContact O-N 2.92Å; Q255-V258 PolarHBondContact O-N 3.21Å; Q255-L259 PolarHBondContact O-N 3.49Å; Q255-L259 VanDerWaalsContact O-N 3.08Å
256L90.7Very high86.2Confident108 Ų10863.6 Ų63.657%0.56535%0.345SS*.Hα-helixtrans-60.7-38.5173.9-71.2175.1000111.4I252 I253 L259 F260I252-L256 HydrophobicContact CG2-CD1 4.24Å; I252-L256 HydrophobicContact CG2-CG 4.38Å; I252-L256 WeakPolarHBondContact O-CG 3.36Å; I252-L256 PolarHBondContact O-N 3.42Å; I253-L256 PolarHBondContact O-N 3.42Å; L256-L259 PolarHBondContact O-N 3.17Å; L256-F260 WeakPolarHBondContact O-CB 3.27Å; L256-F260 PolarHBondContact O-N 3.01Å
257L91.4Very high87.5Confident26 Ų2664.4 Ų64.414%0.13635%0.353CS..Hα-helixtrans-67.3-36.1177.9-168.7141.9000112.3I253 L254 Q255 F260 C261 L326 V330I253-L257 WeakPolarHBondContact O-CB 3.31Å; I253-L257 PolarHBondContact O-N 2.81Å; L254-L257 PolarHBondContact O-N 2.86Å; Q255-L257 VanDerWaalsContact C-N 3.26Å; Q255-L257 PolarHBondContact O-N 2.92Å; L257-F260 PolarHBondContact O-N 3.32Å; L257-C261 PolarHBondContact O-N 3.48Å; L257-C261 PolarHBondContact O-SG 2.91Å; L257-C261 VanDerWaalsContact O-SG 3.33Å; L257-L326 HydrophobicContact CD1-CB 4.49Å; L257-L326 HydrophobicContact CD1-CD2 4.11Å; L257-L326 HydrophobicContact CD2-CB 4.11Å; L257-L326 VanDerWaalsContact CD2-O 3.29Å; L257-L326 WeakPolarHBondContact CD2-O 3.3Å; L257-L326 HydrophobicContact CG-CB 4.38Å; L257-V330 HydrophobicContact CD2-CG2 3.43Å; L257-V330 VanDerWaalsContact CD2-CG2 3.43Å
258V90.3Very high88.1Confident16 Ų1660.4 Ų60.410%0.09734%0.339CS..Hα-helixtrans-61.5-48.1170.7170.50000110.9P248 L254 Q255 F260 C261 L262 W327 V330P248-V258 HydrophobicContact CG-CG2 4.4Å; L254-V258 WeakPolarHBondContact O-CG2 3.07Å; L254-V258 PolarHBondContact O-N 3.11Å; Q255-V258 PolarHBondContact O-N 3.21Å; V258-F260 VanDerWaalsContact C-N 3.3Å; V258-F260 PolarHBondContact O-N 3.34Å; V258-C261 PolarHBondContact O-N 3.07Å; V258-L262 HydrophobicContact CG1-CD1 4.41Å; V258-L262 WeakPolarHBondContact O-CG 3.49Å; V258-L262 PolarHBondContact O-N 3.06Å; V258-W327 HydrophobicContact CG1-CZ3 4.34Å; V258-W327 HydrophobicContact CG2-CZ3 4.09Å; V258-V330 HydrophobicContact CG2-CB 4.36Å; V258-V330 HydrophobicContact CG2-CG1 3.65Å; V258-V330 HydrophobicContact CG2-CG2 3.77Å
259L90.9Very high88.8Confident95 Ų9561.8 Ų61.850%0.49734%0.344SS..Hα-helixtrans-61.2-40.2177.4-67.5175.1000111.7Q255 L256 L262 G263Q255-L259 PolarHBondContact O-N 3.49Å; Q255-L259 VanDerWaalsContact O-N 3.08Å; L256-L259 PolarHBondContact O-N 3.17Å; L259-L262 PolarHBondContact O-N 2.79Å; L259-G263 PolarHBondContact O-N 3.43Å
260F93.5Very high89.7Confident110 Ų11057.1 Ų57.148%0.48234%0.335SS..Hα-helixtrans-63.5-42.2175.3-175.2-105.9000112.1L256 L257 V258 L262 G263 L264 L326L256-F260 WeakPolarHBondContact O-CB 3.27Å; L256-F260 PolarHBondContact O-N 3.01Å; L257-F260 PolarHBondContact O-N 3.32Å; V258-F260 VanDerWaalsContact C-N 3.3Å; V258-F260 PolarHBondContact O-N 3.34Å; F260-L262 VanDerWaalsContact C-N 3.32Å; F260-L262 PolarHBondContact O-N 2.59Å; F260-G263 WeakPolarHBondContact O-CA 3.34Å; F260-G263 PolarHBondContact O-N 3.13Å; F260-G263 VanDerWaalsContact O-N 3.13Å; F260-L264 HydrophobicContact CD1-CD1 4.03Å; F260-L264 HydrophobicContact CD1-CG 4.29Å; F260-L264 HydrophobicContact CE1-CD1 3.59Å; F260-L264 HydrophobicContact CE1-CD2 4.32Å; F260-L264 HydrophobicContact CE1-CG 3.95Å; F260-L264 HydrophobicContact CZ-CD1 4.21Å; F260-L264 HydrophobicContact CZ-CD2 4.09Å; F260-L264 HydrophobicContact CZ-CG 4.16Å; F260-L264 WeakPolarHBondContact O-CG 3.44Å; F260-L264 PolarHBondContact O-N 3.13Å; F260-L326 HydrophobicContact CD1-CD1 3.62Å; F260-L326 HydrophobicContact CE1-CD1 3.48Å; F260-L326 VanDerWaalsContact CE1-CD1 3.48Å
261C91.8Very high90.4Very high0 Ų053.7 Ų53.70%030%0.297CS..Hα-helixtrans-62.1-37.7174.1-74.20000112.7L257 V258 L265 R323 W327L257-C261 PolarHBondContact O-N 3.48Å; L257-C261 PolarHBondContact O-SG 2.91Å; L257-C261 VanDerWaalsContact O-SG 3.33Å; V258-C261 PolarHBondContact O-N 3.07Å; C261-L265 PolarHBondContact O-N 3.22Å; C261-R323 HydrophobicContact CB-CG 4.12Å; C261-W327 HydrophobicContact CB-CE3 4.3Å
262L90.5Very high90.7Very high78 Ų7851.3 Ų51.341%0.40828%0.284SS..Hα-helixtrans-68.2-35.8172.7-67.1174.7000111.8V258 L259 F260 L265 G266 V381V258-L262 HydrophobicContact CG1-CD1 4.41Å; V258-L262 WeakPolarHBondContact O-CG 3.49Å; V258-L262 PolarHBondContact O-N 3.06Å; L259-L262 PolarHBondContact O-N 2.79Å; F260-L262 VanDerWaalsContact C-N 3.32Å; F260-L262 PolarHBondContact O-N 2.59Å; L262-L265 VanDerWaalsContact O-CB 3.31Å; L262-L265 WeakPolarHBondContact O-CB 3.26Å; L262-L265 PolarHBondContact O-N 3.19Å; L262-G266 PolarHBondContact O-N 3.46Å; L262-G266 VanDerWaalsContact O-N 3.13Å; L262-V381 HydrophobicContact CD2-CG1 3.89Å
263G92.8Very high90.9Very high40 Ų4046.5 Ų46.541%0.41226%0.261SS..Hα-helixtrans-61.9-48171.800000112.3L259 F260 L265 G266 V267L259-G263 PolarHBondContact O-N 3.43Å; F260-G263 WeakPolarHBondContact O-CA 3.34Å; F260-G263 PolarHBondContact O-N 3.13Å; F260-G263 VanDerWaalsContact O-N 3.13Å; G263-L265 PolarHBondContact O-N 3.47Å; G263-G266 PolarHBondContact O-N 2.82Å; G263-G266 VanDerWaalsContact O-N 3.09Å; G263-V267 WeakPolarHBondContact O-CG2 3.24Å; G263-V267 PolarHBondContact O-N 3.07Å
264L92Very high91Very high21 Ų2144.8 Ų44.811%0.1125%0.249CC..Hα-helixtrans-59.8-36174.6-70.4-179.5000112.1F260 G266 V267 E268 V319 L322 R323 L326F260-L264 HydrophobicContact CD1-CD1 4.03Å; F260-L264 HydrophobicContact CD1-CG 4.29Å; F260-L264 HydrophobicContact CE1-CD1 3.59Å; F260-L264 HydrophobicContact CE1-CD2 4.32Å; F260-L264 HydrophobicContact CE1-CG 3.95Å; F260-L264 HydrophobicContact CZ-CD1 4.21Å; F260-L264 HydrophobicContact CZ-CD2 4.09Å; F260-L264 HydrophobicContact CZ-CG 4.16Å; F260-L264 WeakPolarHBondContact O-CG 3.44Å; F260-L264 PolarHBondContact O-N 3.13Å; L264-G266 VanDerWaalsContact C-N 3.34Å; L264-V267 PolarHBondContact O-N 3.44Å; L264-E268 WeakPolarHBondContact O-CB 3.47Å; L264-E268 PolarHBondContact O-N 3.2Å; L264-V319 HydrophobicContact CB-CG1 4.24Å; L264-V319 HydrophobicContact CD2-CG1 4.31Å; L264-L322 HydrophobicContact CD1-CD2 4.42Å; L264-L322 HydrophobicContact CD1-CG 4.35Å; L264-R323 HydrophobicContact CB-CB 4.2Å; L264-R323 HydrophobicContact CB-CG 4.31Å; L264-R323 HydrophobicContact CD1-CB 3.95Å; L264-L326 HydrophobicContact CD1-CD1 4.19Å
265L90.7Very high91.2Very high10 Ų1043.9 Ų43.95%0.05224%0.244CC..Hα-helixtrans-60.1-45.4174.1-169.769.3000111.1C261 L262 G263 E268 R269 V381 F382 F385 P386C261-L265 PolarHBondContact O-N 3.22Å; L262-L265 VanDerWaalsContact O-CB 3.31Å; L262-L265 WeakPolarHBondContact O-CB 3.26Å; L262-L265 PolarHBondContact O-N 3.19Å; G263-L265 PolarHBondContact O-N 3.47Å; L265-E268 WeakPolarHBondContact O-CB 3.34Å; L265-E268 PolarHBondContact O-N 2.86Å; L265-R269 WeakPolarHBondContact O-CG 3.3Å; L265-R269 PolarHBondContact O-N 3.08Å; L265-V381 HydrophobicContact CD2-CG1 4.43Å; L265-V381 WeakPolarHBondContact CD2-O 3.4Å; L265-F382 HydrophobicContact CD1-CD1 4.15Å; L265-F382 HydrophobicContact CD2-CD1 4.46Å; L265-F385 HydrophobicContact CD2-CD1 4.46Å; L265-P386 HydrophobicContact CD1-CB 4.46Å; L265-P386 HydrophobicContact CD1-CG 3.71Å; L265-P386 HydrophobicContact CD2-CG 4.13Å; L265-P386 HydrophobicContact CG-CG 4.21Å
266G91.4Very high91.2Very high37 Ų3742.1 Ų42.138%0.38124%0.236SC..Hα-helixtrans-61.7-45.2174.800000112.8L262 G263 L264 E268 R269 V270L262-G266 PolarHBondContact O-N 3.46Å; L262-G266 VanDerWaalsContact O-N 3.13Å; G263-G266 PolarHBondContact O-N 2.82Å; G263-G266 VanDerWaalsContact O-N 3.09Å; L264-G266 VanDerWaalsContact C-N 3.34Å; G266-E268 VanDerWaalsContact C-N 3.29Å; G266-E268 PolarHBondContact O-N 3.19Å; G266-R269 WeakPolarHBondContact O-CB 3.39Å; G266-R269 PolarHBondContact O-N 3.5Å; G266-R269 VanDerWaalsContact O-N 3.11Å; G266-V270 PolarHBondContact O-N 2.79Å
267V92.1Very high91.3Very high71 Ų7138.4 Ų38.443%0.4322%0.216SC..Hα-helixtrans-58.9-40.9176.5172.50000111.5G263 L264 R269 V270 I271G263-V267 WeakPolarHBondContact O-CG2 3.24Å; G263-V267 PolarHBondContact O-N 3.07Å; L264-V267 PolarHBondContact O-N 3.44Å; V267-R269 VanDerWaalsContact C-N 3.28Å; V267-R269 PolarHBondContact O-N 2.92Å; V267-V270 PolarHBondContact O-N 3.26Å; V267-I271 HydrophobicContact CG1-CD1 3.71Å; V267-I271 HydrophobicContact CG1-CG1 4.37Å; V267-I271 WeakPolarHBondContact O-CG1 3.23Å; V267-I271 PolarHBondContact O-N 3.02Å
268E89.7Confident91.4Very high22 Ų2240.6 Ų40.610%0.10322%0.223CC..Hα-helixtrans-59.5-38.3176.7-163.4-174.7139.700112.1L264 L265 G266 I271 N272 V319 R323L264-E268 WeakPolarHBondContact O-CB 3.47Å; L264-E268 PolarHBondContact O-N 3.2Å; L265-E268 WeakPolarHBondContact O-CB 3.34Å; L265-E268 PolarHBondContact O-N 2.86Å; G266-E268 VanDerWaalsContact C-N 3.29Å; G266-E268 PolarHBondContact O-N 3.19Å; E268-I271 PolarHBondContact O-N 3.47Å; E268-N272 WeakPolarHBondContact O-CB 3.21Å; E268-N272 VanDerWaalsContact O-CG 3.25Å; E268-N272 PolarHBondContact O-N 3.06Å; E268-V319 HydrophobicContact CB-CG1 4.27Å; E268-R323 IonicContact OE2-NE 2.69Å
269R89.9Confident91.5Very high30 Ų3043.9 Ų43.911%0.11324%0.235CC..Hα-helixtrans-67.4-39.5177.1-58.7-53.393.6174.3-0.4112.3L265 G266 V267 N272 V273 P386 D390 I393L265-R269 WeakPolarHBondContact O-CG 3.3Å; L265-R269 PolarHBondContact O-N 3.08Å; G266-R269 WeakPolarHBondContact O-CB 3.39Å; G266-R269 PolarHBondContact O-N 3.5Å; G266-R269 VanDerWaalsContact O-N 3.11Å; V267-R269 VanDerWaalsContact C-N 3.28Å; V267-R269 PolarHBondContact O-N 2.92Å; R269-N272 PolarHBondContact NH2-ND2 3.27Å; R269-N272 VanDerWaalsContact NH2-ND2 3.19Å; R269-N272 WeakPolarHBondContact O-CB 3.45Å; R269-N272 PolarHBondContact O-N 2.88Å; R269-V273 PolarHBondContact O-N 3.18Å; R269-P386 VanDerWaalsContact NH1-CB 3.3Å; R269-P386 PolarHBondContact NH1-O 3.06Å; R269-D390 WeakPolarHBondContact CD-OD1 3.44Å; R269-D390 IonicContact CZ-OD1 3.3Å; R269-D390 IonicContact CZ-OD2 3.56Å; R269-D390 IonicContact NE-OD1 3.62Å; R269-D390 IonicContact NH1-OD1 3.53Å; R269-D390 PolarHBondContact NH1-OD1 3.43Å; R269-D390 IonicContact NH1-OD2 2.59Å; R269-D390 PolarHBondContact NH1-OD2 3.01Å; R269-I393 HydrophobicContact CB-CD1 4.32Å
270V91.3Very high91.6Very high81 Ų8141.4 Ų41.449%0.49122%0.22SC..Hα-helixtrans-63.4-47.6175.8176.50000110.1G266 V267 N272 V273 F274G266-V270 PolarHBondContact O-N 2.79Å; V267-V270 PolarHBondContact O-N 3.26Å; V270-N272 VanDerWaalsContact C-N 3.29Å; V270-N272 PolarHBondContact O-N 3.39Å; V270-V273 PolarHBondContact O-N 3.46Å; V270-V273 VanDerWaalsContact O-N 3.15Å; V270-F274 HydrophobicContact CG1-CD2 3.64Å; V270-F274 HydrophobicContact CG1-CE2 3.45Å; V270-F274 VanDerWaalsContact CG1-CE2 3.45Å; V270-F274 VanDerWaalsContact O-CD2 3.23Å; V270-F274 WeakPolarHBondContact O-CD2 3.37Å; V270-F274 PolarHBondContact O-N 3.23Å
271I91.2Very high91.6Very high10 Ų1039.3 Ų39.35%0.05121%0.214CC..Hα-helixtrans-59-42176.9-66.3161.8000111.1V267 E268 V273 F274 V275 L305 L308 Q309 V319V267-I271 HydrophobicContact CG1-CD1 3.71Å; V267-I271 HydrophobicContact CG1-CG1 4.37Å; V267-I271 WeakPolarHBondContact O-CG1 3.23Å; V267-I271 PolarHBondContact O-N 3.02Å; E268-I271 PolarHBondContact O-N 3.47Å; I271-V273 PolarHBondContact O-N 3.36Å; I271-F274 PolarHBondContact O-N 3.3Å; I271-F274 VanDerWaalsContact O-N 3.13Å; I271-V275 HydrophobicContact CG2-CG2 4.02Å; I271-V275 WeakPolarHBondContact O-CG2 3.3Å; I271-V275 PolarHBondContact O-N 3.34Å; I271-L305 HydrophobicContact CG1-CD2 4.47Å; I271-L305 HydrophobicContact CG2-CD2 4.33Å; I271-L308 HydrophobicContact CD1-CB 3.88Å; I271-L308 HydrophobicContact CD1-CD1 4.15Å; I271-L308 HydrophobicContact CG2-CB 4.37Å; I271-Q309 HydrophobicContact CG2-CB 3.87Å; I271-V319 HydrophobicContact CD1-CG2 3.95Å
272N88.9Confident91.6Very high13 Ų1340.1 Ų40.17%0.0722%0.218CC..Hα-helixtrans-56.5-34178.3-83.6-8.3000113.5E268 R269 V270 P276 Q309 Q532E268-N272 WeakPolarHBondContact O-CB 3.21Å; E268-N272 VanDerWaalsContact O-CG 3.25Å; E268-N272 PolarHBondContact O-N 3.06Å; R269-N272 PolarHBondContact NH2-ND2 3.27Å; R269-N272 VanDerWaalsContact NH2-ND2 3.19Å; R269-N272 WeakPolarHBondContact O-CB 3.45Å; R269-N272 PolarHBondContact O-N 2.88Å; V270-N272 VanDerWaalsContact C-N 3.29Å; V270-N272 PolarHBondContact O-N 3.39Å; N272-P276 VanDerWaalsContact O-CD 3.26Å; N272-P276 WeakPolarHBondContact O-CD 3.31Å; N272-Q309 WeakPolarHBondContact OD1-CG 3.13Å; N272-Q309 PolarHBondContact OD1-NE2 2.75Å; N272-Q532 VanDerWaalsContact CB-NE2 3.26Å; N272-Q532 PolarHBondContact O-NE2 3Å; N272-Q532 PolarHBondContact O-OE1 3.35Å
273V91.1Very high91.7Very high22 Ų2237.6 Ų37.613%0.13321%0.206CC..Hα-helixtrans-78.3-41.5176.7177.90000111.2R269 V270 I271 V275 P276 I277 I393 Y397R269-V273 PolarHBondContact O-N 3.18Å; V270-V273 PolarHBondContact O-N 3.46Å; V270-V273 VanDerWaalsContact O-N 3.15Å; I271-V273 PolarHBondContact O-N 3.36Å; V273-V275 PolarHBondContact O-N 3.47Å; V273-P276 WeakPolarHBondContact O-CD 3.47Å; V273-I277 HydrophobicContact CG1-CD1 3.86Å; V273-I277 WeakPolarHBondContact O-CD1 3.24Å; V273-I277 WeakPolarHBondContact O-CG1 3.46Å; V273-I393 HydrophobicContact CG2-CG2 3.49Å; V273-I393 VanDerWaalsContact CG2-CG2 3.49Å; V273-Y397 HydrophobicContact CG1-CD2 4.2Å; V273-Y397 HydrophobicContact CG1-CE2 4.44Å
274F92.3Very high91.6Very high90 Ų9036.2 Ų36.240%0.39519%0.189SC..Hα-helixtrans-69.2-32-176.3-81.7-67.8000113.7V270 I271 I277 Y278 L305V270-F274 HydrophobicContact CG1-CD2 3.64Å; V270-F274 HydrophobicContact CG1-CE2 3.45Å; V270-F274 VanDerWaalsContact CG1-CE2 3.45Å; V270-F274 VanDerWaalsContact O-CD2 3.23Å; V270-F274 WeakPolarHBondContact O-CD2 3.37Å; V270-F274 PolarHBondContact O-N 3.23Å; I271-F274 PolarHBondContact O-N 3.3Å; I271-F274 VanDerWaalsContact O-N 3.13Å; F274-I277 WeakPolarHBondContact O-CB 3.48Å; F274-I277 PolarHBondContact O-N 2.96Å; F274-I277 VanDerWaalsContact O-N 3.11Å; F274-Y278 HydrophobicContact CB-CD2 4.29Å; F274-Y278 HydrophobicContact CB-CE2 4.42Å; F274-Y278 HydrophobicContact CD1-CD2 4.44Å; F274-Y278 AromaticContact CD1-CE2 3.99Å; F274-Y278 HydrophobicContact CD1-CE2 3.99Å; F274-Y278 WeakPolarHBondContact O-CD2 3.32Å; F274-Y278 PolarHBondContact O-N 2.86Å; F274-L305 HydrophobicContact CB-CD1 4.02Å
275V92.1Very high91.5Very high1 Ų135.8 Ų35.81%0.00619%0.189CC..Hα-helixtrans-59.4-51.3-175.3168.90000113I271 V273 I277 Y278 Y279 Y302 L305 K306 Q309I271-V275 HydrophobicContact CG2-CG2 4.02Å; I271-V275 WeakPolarHBondContact O-CG2 3.3Å; I271-V275 PolarHBondContact O-N 3.34Å; V273-V275 PolarHBondContact O-N 3.47Å; V275-I277 VanDerWaalsContact C-N 3.3Å; V275-I277 PolarHBondContact O-N 3.18Å; V275-Y278 PolarHBondContact O-N 3.19Å; V275-Y279 PolarHBondContact O-N 3.47Å; V275-Y279 VanDerWaalsContact O-N 3.16Å; V275-Y302 HydrophobicContact CG1-CD2 4.35Å; V275-Y302 HydrophobicContact CG1-CE2 3.89Å; V275-L305 HydrophobicContact CG2-CB 3.6Å; V275-K306 HydrophobicContact CG1-CD 3.61Å; V275-K306 HydrophobicContact CG1-CG 3.92Å; V275-Q309 VanDerWaalsContact CG1-OE1 3.28Å; V275-Q309 HydrophobicContact CG2-CB 4.16Å
276P91.6Very high91.4Very high3 Ų340.7 Ų40.72%0.01922%0.215CC..Hα-helixtrans-59.8-37.7172.6-27.136.7000113.2N272 V273 Y278 Y279 K280 L525 Y529N272-P276 VanDerWaalsContact O-CD 3.26Å; N272-P276 WeakPolarHBondContact O-CD 3.31Å; V273-P276 WeakPolarHBondContact O-CD 3.47Å; P276-Y278 PolarHBondContact O-N 3.23Å; P276-Y279 WeakPolarHBondContact O-CA 3.48Å; P276-Y279 WeakPolarHBondContact O-CB 3.31Å; P276-Y279 PolarHBondContact O-N 3.27Å; P276-Y279 VanDerWaalsContact O-N 3.11Å; P276-K280 PolarHBondContact O-N 3.49Å; P276-L525 HydrophobicContact CB-CD1 3.66Å; P276-L525 HydrophobicContact CB-CG 4.45Å; P276-L525 VanDerWaalsContact O-CD1 3.29Å; P276-L525 WeakPolarHBondContact O-CD1 3.44Å; P276-Y529 HydrophobicContact CB-CD2 3.99Å; P276-Y529 HydrophobicContact CG-CD2 3.77Å; P276-Y529 HydrophobicContact CG-CE2 4.5Å; P276-Y529 HydrophobicContact CG-CG 4.41Å
277I92.4Very high91.2Very high30 Ų3043 Ų4315%0.15422%0.222CC..Hα-helixtrans-62.3-45.3-178.9-64.2172.2000111.1V273 F274 V275 Y279 K280 N281 Y397 L525V273-I277 HydrophobicContact CG1-CD1 3.86Å; V273-I277 WeakPolarHBondContact O-CD1 3.24Å; V273-I277 WeakPolarHBondContact O-CG1 3.46Å; F274-I277 WeakPolarHBondContact O-CB 3.48Å; F274-I277 PolarHBondContact O-N 2.96Å; F274-I277 VanDerWaalsContact O-N 3.11Å; V275-I277 VanDerWaalsContact C-N 3.3Å; V275-I277 PolarHBondContact O-N 3.18Å; I277-Y279 VanDerWaalsContact C-N 3.26Å; I277-Y279 PolarHBondContact O-N 3.06Å; I277-K280 WeakPolarHBondContact O-CB 3.49Å; I277-K280 PolarHBondContact O-N 2.91Å; I277-N281 VanDerWaalsContact O-CG 3.28Å; I277-N281 PolarHBondContact O-N 3.4Å; I277-N281 PolarHBondContact O-OD1 2.9Å; I277-Y397 HydrophobicContact CD1-CE2 3.66Å; I277-Y397 HydrophobicContact CG1-CE2 4.34Å; I277-Y397 WeakPolarHBondContact CG1-OH 3.47Å; I277-L525 HydrophobicContact CB-CD1 4.45Å; I277-L525 HydrophobicContact CG1-CD1 4Å
278Y93.4Very high90.9Very high73 Ų7344.5 Ų44.529%0.28623%0.228SC..Hα-helixtrans-67-31.2175.4-84.1-85000112F274 V275 P276 N281 I282 T298 V301 L305F274-Y278 HydrophobicContact CB-CD2 4.29Å; F274-Y278 HydrophobicContact CB-CE2 4.42Å; F274-Y278 HydrophobicContact CD1-CD2 4.44Å; F274-Y278 AromaticContact CD1-CE2 3.99Å; F274-Y278 HydrophobicContact CD1-CE2 3.99Å; F274-Y278 WeakPolarHBondContact O-CD2 3.32Å; F274-Y278 PolarHBondContact O-N 2.86Å; V275-Y278 PolarHBondContact O-N 3.19Å; P276-Y278 PolarHBondContact O-N 3.23Å; Y278-N281 PolarHBondContact O-N 2.93Å; Y278-I282 VanDerWaalsContact O-CG1 3.31Å; Y278-I282 WeakPolarHBondContact O-CG1 3.43Å; Y278-I282 PolarHBondContact O-N 3.06Å; Y278-T298 HydrophobicContact CD1-CG2 3.93Å; Y278-V301 HydrophobicContact CD1-CB 4.27Å; Y278-V301 HydrophobicContact CD1-CG1 3.9Å; Y278-V301 HydrophobicContact CD2-CG1 4.41Å; Y278-V301 HydrophobicContact CE1-CB 4.12Å; Y278-V301 HydrophobicContact CE1-CG1 3.58Å; Y278-V301 HydrophobicContact CE2-CG1 4.13Å; Y278-V301 HydrophobicContact CG-CG1 4.3Å; Y278-L305 HydrophobicContact CD2-CD1 3.43Å; Y278-L305 VanDerWaalsContact CD2-CD1 3.43Å; Y278-L305 HydrophobicContact CE2-CD1 3.77Å; Y278-L305 HydrophobicContact CG-CD1 4.11Å
279Y92.6Very high90.6Very high85 Ų8546.7 Ų46.733%0.33326%0.256SS..Hα-helixtrans-66.4-41.2173.4-167.6-145.5000112.1V275 P276 I277 N281 I282 V283 Y302 V524 T528V275-Y279 PolarHBondContact O-N 3.47Å; V275-Y279 VanDerWaalsContact O-N 3.16Å; P276-Y279 WeakPolarHBondContact O-CA 3.48Å; P276-Y279 WeakPolarHBondContact O-CB 3.31Å; P276-Y279 PolarHBondContact O-N 3.27Å; P276-Y279 VanDerWaalsContact O-N 3.11Å; I277-Y279 VanDerWaalsContact C-N 3.26Å; I277-Y279 PolarHBondContact O-N 3.06Å; Y279-N281 VanDerWaalsContact C-N 3.34Å; Y279-N281 PolarHBondContact O-N 2.96Å; Y279-I282 PolarHBondContact O-N 3.3Å; Y279-V283 HydrophobicContact CE2-CG2 4.49Å; Y279-V283 WeakPolarHBondContact O-CG2 3.21Å; Y279-V283 PolarHBondContact O-N 2.84Å; Y279-Y302 HydrophobicContact CD2-CE2 4.45Å; Y279-Y302 HydrophobicContact CG-CE2 4.25Å; Y279-V524 HydrophobicContact CD1-CG1 3.39Å; Y279-V524 HydrophobicContact CE1-CG1 3.13Å; Y279-V524 HydrophobicContact CG-CG1 4.24Å; Y279-T528 HydrophobicContact CD1-CG2 3.62Å; Y279-T528 HydrophobicContact CE1-CG2 3.61Å
280K93.3Very high90.4Very high42 Ų4247.6 Ų47.618%0.18327%0.267CS..Hα-helixtrans-54.8-48.2168.4163.6-179.6172.3-178.70111.6P276 I277 I282 V283 N284 G521 D522 L525P276-K280 PolarHBondContact O-N 3.49Å; I277-K280 WeakPolarHBondContact O-CB 3.49Å; I277-K280 PolarHBondContact O-N 2.91Å; K280-I282 VanDerWaalsContact C-N 3.29Å; K280-I282 PolarHBondContact O-N 2.96Å; K280-V283 PolarHBondContact O-N 3.15Å; K280-N284 WeakPolarHBondContact CE-ND2 3.34Å; K280-N284 PolarHBondContact O-N 3.49Å; K280-G521 WeakPolarHBondContact CB-O 3.3Å; K280-D522 VanDerWaalsContact CD-OD1 3.31Å; K280-D522 WeakPolarHBondContact CD-OD1 3.46Å; K280-D522 WeakPolarHBondContact CE-OD1 3.3Å; K280-D522 IonicContact NZ-OD1 3.55Å; K280-D522 PolarHBondContact NZ-OD1 3.39Å; K280-D522 IonicContact NZ-OD2 2.66Å; K280-L525 HydrophobicContact CB-CB 4.12Å; K280-L525 HydrophobicContact CB-CD1 4.05Å; K280-L525 HydrophobicContact CD-CB 4.43Å; K280-L525 HydrophobicContact CD-CD1 4.48Å; K280-L525 HydrophobicContact CD-CD2 4.41Å
281N92.3Very high90.2Very high67 Ų6747 Ų4736%0.35827%0.267SS..Hα-helixtrans-63.3-35.3-177.6-67-12.8000112.5I277 Y278 Y279 G285 T298I277-N281 VanDerWaalsContact O-CG 3.28Å; I277-N281 PolarHBondContact O-N 3.4Å; I277-N281 PolarHBondContact O-OD1 2.9Å; Y278-N281 PolarHBondContact O-N 2.93Å; Y279-N281 VanDerWaalsContact C-N 3.34Å; Y279-N281 PolarHBondContact O-N 2.96Å; N281-G285 PolarHBondContact O-N 3.43Å; N281-T298 HydrophobicContact CB-CG2 4.04Å
282I92.4Very high89.9Confident16 Ų1656 Ų568%0.08230%0.3CS..Hα-helixtrans-63.2-47.9174.2-67.8163000110.4Y278 Y279 K280 N284 G285 L286 T298 V299 Y302Y278-I282 VanDerWaalsContact O-CG1 3.31Å; Y278-I282 WeakPolarHBondContact O-CG1 3.43Å; Y278-I282 PolarHBondContact O-N 3.06Å; Y279-I282 PolarHBondContact O-N 3.3Å; K280-I282 VanDerWaalsContact C-N 3.29Å; K280-I282 PolarHBondContact O-N 2.96Å; I282-N284 PolarHBondContact O-N 3.45Å; I282-G285 PolarHBondContact O-N 3.44Å; I282-L286 HydrophobicContact CG2-CD1 4Å; I282-L286 VanDerWaalsContact O-CG 3.3Å; I282-L286 WeakPolarHBondContact O-CG 3.43Å; I282-L286 PolarHBondContact O-N 3.44Å; I282-T298 HydrophobicContact CG1-CG2 3.72Å; I282-V299 HydrophobicContact CD1-CB 4.5Å; I282-V299 HydrophobicContact CD1-CG2 3.92Å; I282-V299 HydrophobicContact CG1-CG2 4.03Å; I282-V299 HydrophobicContact CG2-CG2 4.15Å; I282-Y302 HydrophobicContact CD1-CD1 4.04Å; I282-Y302 HydrophobicContact CD1-CD2 4.49Å; I282-Y302 HydrophobicContact CD1-CG 3.8Å
283V92.6Very high89.8Confident26 Ų2662.7 Ų62.716%0.15833%0.33CS..Hα-helixtrans-63.6-43.5-179.4175.50000111.2Y279 K280 L286 T287 V520 V524Y279-V283 HydrophobicContact CE2-CG2 4.49Å; Y279-V283 WeakPolarHBondContact O-CG2 3.21Å; Y279-V283 PolarHBondContact O-N 2.84Å; K280-V283 PolarHBondContact O-N 3.15Å; V283-L286 PolarHBondContact O-N 3Å; V283-T287 WeakPolarHBondContact O-CB 3.22Å; V283-T287 PolarHBondContact O-N 2.89Å; V283-T287 PolarHBondContact O-OG1 3.4Å; V283-V520 HydrophobicContact CG1-CB 4.38Å; V283-V520 HydrophobicContact CG1-CG1 4.12Å; V283-V524 HydrophobicContact CG1-CG2 4.34Å; V283-V524 HydrophobicContact CG2-CB 4.38Å; V283-V524 HydrophobicContact CG2-CG1 4.32Å; V283-V524 HydrophobicContact CG2-CG2 4.17Å
284N91.3Very high89.6Confident10 Ų1065 Ų655%0.05335%0.345CS..Hα-helixtrans-64.7-46177-69.6-14000111.2K280 I282 L286 T287 D288 Q519 G521K280-N284 WeakPolarHBondContact CE-ND2 3.34Å; K280-N284 PolarHBondContact O-N 3.49Å; I282-N284 PolarHBondContact O-N 3.45Å; N284-L286 VanDerWaalsContact C-N 3.28Å; N284-L286 PolarHBondContact O-N 3.14Å; N284-T287 PolarHBondContact O-N 2.98Å; N284-D288 WeakPolarHBondContact O-CB 3.3Å; N284-D288 PolarHBondContact O-N 3.3Å; N284-Q519 PolarHBondContact ND2-OE1 2.88Å; N284-Q519 WeakPolarHBondContact OD1-CB 3.4Å; N284-G521 WeakPolarHBondContact OD1-CA 3.37Å; N284-G521 PolarHBondContact OD1-N 3.45Å
285G88.5Confident89.4Confident12 Ų1261.4 Ų61.412%0.12433%0.33CS..Hα-helixtrans-60.4-35.5178.400000113.7N281 I282 G289 S290N281-G285 PolarHBondContact O-N 3.43Å; I282-G285 PolarHBondContact O-N 3.44Å; G285-G289 PolarHBondContact O-N 3.49Å; G285-S290 WeakPolarHBondContact CA-OG 3.39Å; G285-S290 WeakPolarHBondContact O-CB 3.29Å; G285-S290 PolarHBondContact O-N 3.32Å; G285-S290 PolarHBondContact O-OG 2.86Å
286L89.5Confident89.3Confident113 Ų11363.3 Ų63.359%0.59235%0.346SS*.Hα-helixtrans-71.1-35.2173.6-72.1170.9000112.7I282 V283 N284 V295I282-L286 HydrophobicContact CG2-CD1 4Å; I282-L286 VanDerWaalsContact O-CG 3.3Å; I282-L286 WeakPolarHBondContact O-CG 3.43Å; I282-L286 PolarHBondContact O-N 3.44Å; V283-L286 PolarHBondContact O-N 3Å; N284-L286 VanDerWaalsContact C-N 3.28Å; N284-L286 PolarHBondContact O-N 3.14Å; L286-V295 HydrophobicContact CD2-CG1 4Å; L286-V295 HydrophobicContact CG-CG1 4.37Å
287T87.2Confident89.2Confident86 Ų8666.5 Ų66.553%0.52837%0.368SS..Hα-helixtrans-74-38.5179.7-53.30000111.4V283 N284 G289 V520V283-T287 WeakPolarHBondContact O-CB 3.22Å; V283-T287 PolarHBondContact O-N 2.89Å; V283-T287 PolarHBondContact O-OG1 3.4Å; N284-T287 PolarHBondContact O-N 2.98Å; T287-G289 VanDerWaalsContact C-N 3.25Å; T287-G289 PolarHBondContact O-N 2.99Å; T287-V520 HydrophobicContact CG2-CG2 4.38Å
288D85.3Confident89.2Confident103 Ų10366.3 Ų66.355%0.55137%0.368SS*.THydrogen-bonded Turntrans-80.9-1-178.1-63.7-22.1000113.1N284N284-D288 WeakPolarHBondContact O-CB 3.3Å; N284-D288 PolarHBondContact O-N 3.3Å
289G83.3Confident89.1Confident67 Ų6765.5 Ų65.569%0.69137%0.371SS*.THydrogen-bonded Turntrans68.934.1-179.700000113.9G285 T287G285-G289 PolarHBondContact O-N 3.49Å; T287-G289 VanDerWaalsContact C-N 3.25Å; T287-G289 PolarHBondContact O-N 2.99Å
290S85.5Confident89.1Confident50 Ų5063.5 Ų63.535%0.3538%0.377SS..  trans-63157.7-176.3-59.10000113G285G285-S290 WeakPolarHBondContact CA-OG 3.39Å; G285-S290 WeakPolarHBondContact O-CB 3.29Å; G285-S290 PolarHBondContact O-N 3.32Å; G285-S290 PolarHBondContact O-OG 2.86Å
291S87Confident89.1Confident69 Ų6964.4 Ų64.448%0.48339%0.385SS..  trans-59140.6177.165.60000112.2H293 T294 V295S291-H293 PolarHBondContact O-N 2.93Å; S291-H293 VanDerWaalsContact O-N 3.14Å; S291-T294 WeakPolarHBondContact O-CB 3.35Å; S291-T294 PolarHBondContact O-N 2.7Å; S291-T294 PolarHBondContact OG-OG1 3.26Å; S291-V295 PolarHBondContact O-N 2.65Å
292W85.3Confident89.1Confident198 Ų19863.6 Ų63.675%0.7538%0.378SS*.Hα-helixtrans-51.4-39.8-179.8171.3-110.9000112.9T294 V295 A296W292-T294 VanDerWaalsContact C-N 3.31Å; W292-T294 PolarHBondContact O-N 3.45Å; W292-V295 PolarHBondContact O-N 2.99Å; W292-A296 VanDerWaalsContact O-CB 3.25Å; W292-A296 WeakPolarHBondContact O-CB 3.43Å; W292-A296 PolarHBondContact O-N 3.3Å
293H86.5Confident89.1Confident153 Ų15367 Ų6771%0.70840%0.399SS*.Hα-helixtrans-60.2-39.7178.1-65-68.2000112.9S291 S297S291-H293 PolarHBondContact O-N 2.93Å; S291-H293 VanDerWaalsContact O-N 3.14Å; H293-S297 WeakPolarHBondContact O-CB 3.03Å; H293-S297 PolarHBondContact O-N 3.28Å; H293-S297 PolarHBondContact O-OG 3.46Å
294T86.6Confident89Confident71 Ų7168.2 Ų68.244%0.43641%0.412SS..Hα-helixtrans-68.6-45.8179.1-50.90000110.5S291 W292 S297 T298S291-T294 WeakPolarHBondContact O-CB 3.35Å; S291-T294 PolarHBondContact O-N 2.7Å; S291-T294 PolarHBondContact OG-OG1 3.26Å; W292-T294 VanDerWaalsContact C-N 3.31Å; W292-T294 PolarHBondContact O-N 3.45Å; T294-S297 PolarHBondContact O-N 2.71Å; T294-S297 PolarHBondContact O-OG 3.5Å; T294-T298 PolarHBondContact O-N 3.21Å; T294-T298 PolarHBondContact O-OG1 2.88Å
295V88.6Confident89Confident14 Ų1469.1 Ų69.19%0.08542%0.416CS..Hα-helixtrans-63-47.2177.3179.10000110.8L286 S291 W292 S297 T298 V299L286-V295 HydrophobicContact CD2-CG1 4Å; L286-V295 HydrophobicContact CG-CG1 4.37Å; S291-V295 PolarHBondContact O-N 2.65Å; W292-V295 PolarHBondContact O-N 2.99Å; V295-S297 PolarHBondContact O-N 2.71Å; V295-T298 PolarHBondContact O-N 3.07Å; V295-V299 HydrophobicContact CG1-CG2 4.29Å; V295-V299 VanDerWaalsContact O-CG2 3.3Å; V295-V299 WeakPolarHBondContact O-CG2 3.49Å; V295-V299 PolarHBondContact O-N 2.94Å
296A89.6Confident89Confident41 Ų4171.1 Ų71.134%0.33942%0.422SS..Hα-helixtrans-59.9-43179.200000112.3W292 V299 G300W292-A296 VanDerWaalsContact O-CB 3.25Å; W292-A296 WeakPolarHBondContact O-CB 3.43Å; W292-A296 PolarHBondContact O-N 3.3Å; A296-V299 PolarHBondContact O-N 3.49Å; A296-G300 PolarHBondContact O-N 3.19Å
297S91.1Very high89Confident71 Ų7172 Ų7250%0.49742%0.421SS..Hα-helixtrans-64.1-41176.471.30000112.3H293 T294 V295 G300 V301H293-S297 WeakPolarHBondContact O-CB 3.03Å; H293-S297 PolarHBondContact O-N 3.28Å; H293-S297 PolarHBondContact O-OG 3.46Å; T294-S297 PolarHBondContact O-N 2.71Å; T294-S297 PolarHBondContact O-OG 3.5Å; V295-S297 PolarHBondContact O-N 2.71Å; S297-G300 PolarHBondContact O-N 3.23Å; S297-V301 WeakPolarHBondContact O-CG2 3.43Å; S297-V301 PolarHBondContact O-N 3.35Å
298T91.1Very high89.2Confident25 Ų2570.5 Ų70.515%0.15341%0.41CS..Hα-helixtrans-67-41179.4-49.60000111.3Y278 N281 I282 T294 V295 V301 Y302Y278-T298 HydrophobicContact CD1-CG2 3.93Å; N281-T298 HydrophobicContact CB-CG2 4.04Å; I282-T298 HydrophobicContact CG1-CG2 3.72Å; T294-T298 PolarHBondContact O-N 3.21Å; T294-T298 PolarHBondContact O-OG1 2.88Å; V295-T298 PolarHBondContact O-N 3.07Å; T298-V301 PolarHBondContact O-N 3.42Å; T298-Y302 WeakPolarHBondContact O-CB 3.17Å; T298-Y302 PolarHBondContact O-N 3.15Å
299V92.6Very high89.2Confident57 Ų5766.5 Ų66.535%0.34539%0.388SS..Hα-helixtrans-62.2-43173.2172.70000110.8I282 V295 A296 V301 Y302 V303I282-V299 HydrophobicContact CD1-CB 4.5Å; I282-V299 HydrophobicContact CD1-CG2 3.92Å; I282-V299 HydrophobicContact CG1-CG2 4.03Å; I282-V299 HydrophobicContact CG2-CG2 4.15Å; V295-V299 HydrophobicContact CG1-CG2 4.29Å; V295-V299 VanDerWaalsContact O-CG2 3.3Å; V295-V299 WeakPolarHBondContact O-CG2 3.49Å; V295-V299 PolarHBondContact O-N 2.94Å; A296-V299 PolarHBondContact O-N 3.49Å; V299-V301 PolarHBondContact O-N 3.25Å; V299-Y302 PolarHBondContact O-N 3.05Å; V299-V303 HydrophobicContact CG1-CG2 4.33Å; V299-V303 WeakPolarHBondContact O-CG2 3.1Å; V299-V303 PolarHBondContact O-N 3.35Å
300G92.2Very high89.2Confident43 Ų4363.8 Ų63.844%0.44336%0.359SS..Hα-helixtrans-57.6-46.6175.700000112.8A296 S297 V303 A304A296-G300 PolarHBondContact O-N 3.19Å; S297-G300 PolarHBondContact O-N 3.23Å; G300-V303 PolarHBondContact O-N 2.97Å; G300-A304 WeakPolarHBondContact O-CB 3.35Å; G300-A304 PolarHBondContact O-N 2.87Å
301V93.3Very high88.1Confident61 Ų6164 Ų6437%0.3737%0.37SS..Hα-helixtrans-64.7-43.5176.41760000111.5Y278 S297 T298 V299 V303 A304 L305Y278-V301 HydrophobicContact CD1-CB 4.27Å; Y278-V301 HydrophobicContact CD1-CG1 3.9Å; Y278-V301 HydrophobicContact CD2-CG1 4.41Å; Y278-V301 HydrophobicContact CE1-CB 4.12Å; Y278-V301 HydrophobicContact CE1-CG1 3.58Å; Y278-V301 HydrophobicContact CE2-CG1 4.13Å; Y278-V301 HydrophobicContact CG-CG1 4.3Å; S297-V301 WeakPolarHBondContact O-CG2 3.43Å; S297-V301 PolarHBondContact O-N 3.35Å; T298-V301 PolarHBondContact O-N 3.42Å; V299-V301 PolarHBondContact O-N 3.25Å; V301-V303 PolarHBondContact O-N 2.9Å; V301-A304 PolarHBondContact O-N 3.37Å; V301-L305 HydrophobicContact CG1-CD1 3.94Å; V301-L305 HydrophobicContact CG1-CG 4.27Å; V301-L305 WeakPolarHBondContact O-CG 3.36Å; V301-L305 PolarHBondContact O-N 3.49Å
302Y92.4Very high86.5Confident50 Ų5062.4 Ų62.420%0.19636%0.364CS..Hα-helixtrans-58.5-46.4176.4168.3-103.7000112.1V275 Y279 I282 T298 V299 A304 L305 K306V275-Y302 HydrophobicContact CG1-CD2 4.35Å; V275-Y302 HydrophobicContact CG1-CE2 3.89Å; Y279-Y302 HydrophobicContact CD2-CE2 4.45Å; Y279-Y302 HydrophobicContact CG-CE2 4.25Å; I282-Y302 HydrophobicContact CD1-CD1 4.04Å; I282-Y302 HydrophobicContact CD1-CD2 4.49Å; I282-Y302 HydrophobicContact CD1-CG 3.8Å; T298-Y302 WeakPolarHBondContact O-CB 3.17Å; T298-Y302 PolarHBondContact O-N 3.15Å; V299-Y302 PolarHBondContact O-N 3.05Å; Y302-A304 VanDerWaalsContact C-N 3.35Å; Y302-A304 PolarHBondContact O-N 3.29Å; Y302-L305 PolarHBondContact O-N 3.44Å; Y302-K306 HydrophobicContact CD1-CG 4.5Å; Y302-K306 HydrophobicContact CD2-CG 4.21Å; Y302-K306 HydrophobicContact CE1-CG 4.02Å; Y302-K306 HydrophobicContact CE2-CD 4.32Å; Y302-K306 HydrophobicContact CE2-CG 3.68Å; Y302-K306 WeakPolarHBondContact O-CB 2.89Å; Y302-K306 WeakPolarHBondContact O-CG 3.43Å; Y302-K306 PolarHBondContact O-N 3.24Å; Y302-K306 WeakPolarHBondContact OH-CE 3.5Å
303V91Very high84.7Confident86 Ų8657.2 Ų57.252%0.52136%0.363SS..Hα-helixtrans-63.9-41178.3173.30000110.9V299 G300 V301 K306 F307V299-V303 HydrophobicContact CG1-CG2 4.33Å; V299-V303 WeakPolarHBondContact O-CG2 3.1Å; V299-V303 PolarHBondContact O-N 3.35Å; G300-V303 PolarHBondContact O-N 2.97Å; V301-V303 PolarHBondContact O-N 2.9Å; V303-K306 PolarHBondContact O-N 3.3Å; V303-F307 WeakPolarHBondContact O-CB 3.48Å; V303-F307 PolarHBondContact O-N 3.11Å
304A91.1Very high83Confident53 Ų5353.2 Ų53.244%0.43836%0.363SS..Hα-helixtrans-62.6-45.7175.300000112G300 V301 Y302 K306 F307 L308G300-A304 WeakPolarHBondContact O-CB 3.35Å; G300-A304 PolarHBondContact O-N 2.87Å; V301-A304 PolarHBondContact O-N 3.37Å; Y302-A304 VanDerWaalsContact C-N 3.35Å; Y302-A304 PolarHBondContact O-N 3.29Å; A304-K306 VanDerWaalsContact C-N 3.35Å; A304-K306 PolarHBondContact O-N 3.31Å; A304-F307 WeakPolarHBondContact O-CB 3.48Å; A304-F307 PolarHBondContact O-N 3.24Å; A304-L308 WeakPolarHBondContact O-CG 3.47Å; A304-L308 PolarHBondContact O-N 3.45Å
305L91.4Very high81.8Confident28 Ų2852.7 Ų52.715%0.14737%0.367CS..Hα-helixtrans-64.3-39.2175.7-69.7172.7000111.7I271 F274 V275 Y278 V301 Y302 F307 L308 Q309I271-L305 HydrophobicContact CG1-CD2 4.47Å; I271-L305 HydrophobicContact CG2-CD2 4.33Å; F274-L305 HydrophobicContact CB-CD1 4.02Å; V275-L305 HydrophobicContact CG2-CB 3.6Å; Y278-L305 HydrophobicContact CD2-CD1 3.43Å; Y278-L305 VanDerWaalsContact CD2-CD1 3.43Å; Y278-L305 HydrophobicContact CE2-CD1 3.77Å; Y278-L305 HydrophobicContact CG-CD1 4.11Å; V301-L305 HydrophobicContact CG1-CD1 3.94Å; V301-L305 HydrophobicContact CG1-CG 4.27Å; V301-L305 WeakPolarHBondContact O-CG 3.36Å; V301-L305 PolarHBondContact O-N 3.49Å; Y302-L305 PolarHBondContact O-N 3.44Å; L305-F307 VanDerWaalsContact C-N 3.33Å; L305-F307 PolarHBondContact O-N 3.16Å; L305-L308 PolarHBondContact O-N 3.33Å; L305-Q309 VanDerWaalsContact O-CB 3.31Å; L305-Q309 WeakPolarHBondContact O-CB 3.28Å; L305-Q309 PolarHBondContact O-N 3.41Å
306K88.5Confident81Confident54 Ų5455.2 Ų55.224%0.23539%0.385CS..Hα-helixtrans-63.7-35.6173.4-85-68.3-175.8-157.40112.7V275 Y302 V303 A304 G310V275-K306 HydrophobicContact CG1-CD 3.61Å; V275-K306 HydrophobicContact CG1-CG 3.92Å; Y302-K306 HydrophobicContact CD1-CG 4.5Å; Y302-K306 HydrophobicContact CD2-CG 4.21Å; Y302-K306 HydrophobicContact CE1-CG 4.02Å; Y302-K306 HydrophobicContact CE2-CD 4.32Å; Y302-K306 HydrophobicContact CE2-CG 3.68Å; Y302-K306 WeakPolarHBondContact O-CB 2.89Å; Y302-K306 WeakPolarHBondContact O-CG 3.43Å; Y302-K306 PolarHBondContact O-N 3.24Å; Y302-K306 WeakPolarHBondContact OH-CE 3.5Å; V303-K306 PolarHBondContact O-N 3.3Å; A304-K306 VanDerWaalsContact C-N 3.35Å; A304-K306 PolarHBondContact O-N 3.31Å; K306-G310 CarbonylContact O-C 3.44Å; K306-G310 WeakPolarHBondContact O-CA 3.38Å; K306-G310 PolarHBondContact O-N 3.46Å
307F89.9Confident80.8Confident132 Ų13253.3 Ų53.358%0.57937%0.369SS*.Hα-helixtrans-65.7-41.7172.5172.2-100.1000111.9V303 A304 L305 F318V303-F307 WeakPolarHBondContact O-CB 3.48Å; V303-F307 PolarHBondContact O-N 3.11Å; A304-F307 WeakPolarHBondContact O-CB 3.48Å; A304-F307 PolarHBondContact O-N 3.24Å; L305-F307 VanDerWaalsContact C-N 3.33Å; L305-F307 PolarHBondContact O-N 3.16Å; F307-F318 HydrophobicContact CD1-CB 4.12Å; F307-F318 HydrophobicContact CE1-CB 3.6Å; F307-F318 HydrophobicContact CE1-CD1 4.44Å; F307-F318 HydrophobicContact CE1-CD2 4.01Å; F307-F318 AromaticContact CE1-CG 3.76Å; F307-F318 HydrophobicContact CE1-CG 3.76Å; F307-F318 HydrophobicContact CZ-CB 3.88Å; F307-F318 AromaticContact CZ-CD2 3.84Å; F307-F318 HydrophobicContact CZ-CD2 3.84Å; F307-F318 HydrophobicContact CZ-CG 4.03Å; F307-F318 PolarHBondContact O-N 3.06Å; F307-F318 VanDerWaalsContact O-N 3.13Å
308L90.7Very high80.7Confident55 Ų5555 Ų5529%0.28837%0.368SS..Hα-helixtrans-67.4-41176.6-65174.5000112.4I271 A304 L305 G317 F318 V319I271-L308 HydrophobicContact CD1-CB 3.88Å; I271-L308 HydrophobicContact CD1-CD1 4.15Å; I271-L308 HydrophobicContact CG2-CB 4.37Å; A304-L308 WeakPolarHBondContact O-CG 3.47Å; A304-L308 PolarHBondContact O-N 3.45Å; L305-L308 PolarHBondContact O-N 3.33Å; L308-G317 CarbonylContact O-C 3.6Å; L308-G317 WeakPolarHBondContact O-CA 3.44Å; L308-F318 HydrophobicContact CD2-CB 4.44Å; L308-F318 HydrophobicContact CD2-CD1 4.14Å; L308-F318 PolarHBondContact O-N 3.18Å; L308-V319 HydrophobicContact CB-CG2 4.04Å; L308-V319 HydrophobicContact CD2-CG2 3.96Å; L308-V319 PolarHBondContact O-N 3.41Å
309Q86.5Confident80.7Confident19 Ų1954.2 Ų54.29%0.08936%0.363CS..Hα-helixtrans-71.5-44.7177.9-176.1179.54600112.7I271 N272 V275 L305 G317 Q532I271-Q309 HydrophobicContact CG2-CB 3.87Å; N272-Q309 WeakPolarHBondContact OD1-CG 3.13Å; N272-Q309 PolarHBondContact OD1-NE2 2.75Å; V275-Q309 VanDerWaalsContact CG1-OE1 3.28Å; V275-Q309 HydrophobicContact CG2-CB 4.16Å; L305-Q309 VanDerWaalsContact O-CB 3.31Å; L305-Q309 WeakPolarHBondContact O-CB 3.28Å; L305-Q309 PolarHBondContact O-N 3.41Å; Q309-G317 VanDerWaalsContact O-CA 3.27Å; Q309-G317 WeakPolarHBondContact O-CA 3.45Å; Q309-G317 PolarHBondContact O-N 3.07Å; Q309-Q532 VanDerWaalsContact NE2-NE2 3.15Å; Q309-Q532 VanDerWaalsContact NE2-OE1 3.16Å
310G81.4Confident80.4Confident9 Ų952.5 Ų52.59%0.09335%0.353CS..  trans97171.8-166.400000113.3K306 G312 A315 G317K306-G310 CarbonylContact O-C 3.44Å; K306-G310 WeakPolarHBondContact O-CA 3.38Å; K306-G310 PolarHBondContact O-N 3.46Å; G310-G312 PolarHBondContact O-N 3.48Å; G310-A315 WeakPolarHBondContact CA-O 3.15Å; G310-G317 VanDerWaalsContact CA-CA 3.42Å; G310-G317 VanDerWaalsContact N-CA 3.3Å
311G62.4Low80.3Confident56 Ų5654 Ų5458%0.57735%0.351SS*.  trans-7223.8-168.800000117A313 A315G311-A313 PolarHBondContact O-N 3.4Å; G311-A315 PolarHBondContact N-O 3.1Å
312G54.5Low80.2Confident35 Ų3554 Ų5436%0.36135%0.349SS..SBendtrans68.1-33.6173.300000116.6G310 T535G310-G312 PolarHBondContact O-N 3.48Å; G312-T535 WeakPolarHBondContact O-CG2 3.19Å; G312-T535 PolarHBondContact O-OG1 3.45Å
313A48.1Very low80.1Confident88 Ų8852.3 Ų52.373%0.72734%0.342SS*.SBendtrans-111.351.6-175.700000112.1G311G311-A313 PolarHBondContact O-N 3.4Å
314G50.8Low80Confident69 Ų6950.4 Ų50.471%0.71133%0.333SS*.SBendtrans89.7-1.7173.200000116.4S316G314-S316 PolarHBondContact O-N 3.49Å
315A61.3Low80Confident61 Ų6153.9 Ų53.950%0.50434%0.338SS..PPolyproline II helixtrans-77.4116.1167.400000109.7G310 G311 G317G310-A315 WeakPolarHBondContact CA-O 3.15Å; G311-A315 PolarHBondContact N-O 3.1Å; A315-G317 PolarHBondContact O-N 3.37Å
316S71.8Confident80Confident66 Ų6653.8 Ų53.846%0.46234%0.338SS..PPolyproline II helixtrans-64.3126.6178.247.20000111G314 N321G314-S316 PolarHBondContact O-N 3.49Å; S316-N321 VanDerWaalsContact CB-OD1 3.27Å; S316-N321 WeakPolarHBondContact CB-OD1 3.27Å; S316-N321 PolarHBondContact O-ND2 3.48Å; S316-N321 PolarHBondContact OG-ND2 3.48Å; S316-N321 PolarHBondContact OG-OD1 3.43Å
317G84.1Confident80.1Confident2 Ų252.1 Ų52.12%0.02133%0.33CS..PPolyproline II helixtrans-68.4167.4173.200000113.2L308 Q309 G310 A315 V319 S320 N321L308-G317 CarbonylContact O-C 3.6Å; L308-G317 WeakPolarHBondContact O-CA 3.44Å; Q309-G317 VanDerWaalsContact O-CA 3.27Å; Q309-G317 WeakPolarHBondContact O-CA 3.45Å; Q309-G317 PolarHBondContact O-N 3.07Å; G310-G317 VanDerWaalsContact CA-CA 3.42Å; G310-G317 VanDerWaalsContact N-CA 3.3Å; A315-G317 PolarHBondContact O-N 3.37Å; G317-V319 VanDerWaalsContact C-N 3.26Å; G317-V319 PolarHBondContact O-N 3.3Å; G317-S320 PolarHBondContact O-N 3.06Å; G317-N321 WeakPolarHBondContact O-CB 3.44Å; G317-N321 PolarHBondContact O-N 2.92Å; G317-N321 PolarHBondContact O-ND2 2.84Å
318F89.5Confident80.1Confident105 Ų10550 Ų5046%0.46132%0.324SS..Hα-helixtrans-55.3-42.2178.3-178.5-99.2000112.3F307 L308 N321 L322F307-F318 HydrophobicContact CD1-CB 4.12Å; F307-F318 HydrophobicContact CE1-CB 3.6Å; F307-F318 HydrophobicContact CE1-CD1 4.44Å; F307-F318 HydrophobicContact CE1-CD2 4.01Å; F307-F318 AromaticContact CE1-CG 3.76Å; F307-F318 HydrophobicContact CE1-CG 3.76Å; F307-F318 HydrophobicContact CZ-CB 3.88Å; F307-F318 AromaticContact CZ-CD2 3.84Å; F307-F318 HydrophobicContact CZ-CD2 3.84Å; F307-F318 HydrophobicContact CZ-CG 4.03Å; F307-F318 PolarHBondContact O-N 3.06Å; F307-F318 VanDerWaalsContact O-N 3.13Å; L308-F318 HydrophobicContact CD2-CB 4.44Å; L308-F318 HydrophobicContact CD2-CD1 4.14Å; L308-F318 PolarHBondContact O-N 3.18Å; F318-N321 PolarHBondContact O-N 3.1Å; F318-L322 HydrophobicContact CE1-CD2 4.3Å; F318-L322 VanDerWaalsContact O-CB 3.32Å; F318-L322 WeakPolarHBondContact O-CB 3.42Å; F318-L322 PolarHBondContact O-N 3.18Å
319V90.6Very high80Confident10 Ų1054.8 Ų54.86%0.06134%0.338CS..Hα-helixtrans-64.8-46.6-179.6176.90000111.3L264 E268 I271 L308 G317 N321 L322 R323L264-V319 HydrophobicContact CB-CG1 4.24Å; L264-V319 HydrophobicContact CD2-CG1 4.31Å; E268-V319 HydrophobicContact CB-CG1 4.27Å; I271-V319 HydrophobicContact CD1-CG2 3.95Å; L308-V319 HydrophobicContact CB-CG2 4.04Å; L308-V319 HydrophobicContact CD2-CG2 3.96Å; L308-V319 PolarHBondContact O-N 3.41Å; G317-V319 VanDerWaalsContact C-N 3.26Å; G317-V319 PolarHBondContact O-N 3.3Å; V319-N321 PolarHBondContact O-N 2.94Å; V319-L322 PolarHBondContact O-N 3.45Å; V319-R323 VanDerWaalsContact O-CB 3.3Å; V319-R323 WeakPolarHBondContact O-CB 3.28Å; V319-R323 PolarHBondContact O-N 2.99Å
320S87Confident80.1Confident20 Ų2053.9 Ų53.914%0.1433%0.334CS..Hα-helixtrans-67.6-36.6-179.3-166.90000111.9G317 R323 S324G317-S320 PolarHBondContact O-N 3.06Å; S320-R323 PolarHBondContact OG-NH2 3.37Å; S320-S324 VanDerWaalsContact O-CB 3.3Å; S320-S324 WeakPolarHBondContact O-CB 3.41Å; S320-S324 PolarHBondContact O-N 3.5Å; S320-S324 PolarHBondContact O-OG 3.48Å
321N89.9Confident80.3Confident75 Ų7556.3 Ų56.340%0.40134%0.343SS..Hα-helixtrans-66.7-46.1173.5-78.1-40.7000112S316 G317 F318 V319 R323 S324 F325S316-N321 VanDerWaalsContact CB-OD1 3.27Å; S316-N321 WeakPolarHBondContact CB-OD1 3.27Å; S316-N321 PolarHBondContact O-ND2 3.48Å; S316-N321 PolarHBondContact OG-ND2 3.48Å; S316-N321 PolarHBondContact OG-OD1 3.43Å; G317-N321 WeakPolarHBondContact O-CB 3.44Å; G317-N321 PolarHBondContact O-N 2.92Å; G317-N321 PolarHBondContact O-ND2 2.84Å; F318-N321 PolarHBondContact O-N 3.1Å; V319-N321 PolarHBondContact O-N 2.94Å; N321-R323 PolarHBondContact O-N 3.32Å; N321-S324 PolarHBondContact O-N 3.38Å; N321-F325 WeakPolarHBondContact O-CB 3.39Å; N321-F325 PolarHBondContact O-N 2.82Å
322L91.1Very high81.6Confident62 Ų6259 Ų5933%0.32534%0.34SS..Hα-helixtrans-60.7-46.3176.8179.861.8000111L264 F318 V319 S324 F325 L326L264-L322 HydrophobicContact CD1-CD2 4.42Å; L264-L322 HydrophobicContact CD1-CG 4.35Å; F318-L322 HydrophobicContact CE1-CD2 4.3Å; F318-L322 VanDerWaalsContact O-CB 3.32Å; F318-L322 WeakPolarHBondContact O-CB 3.42Å; F318-L322 PolarHBondContact O-N 3.18Å; V319-L322 PolarHBondContact O-N 3.45Å; L322-S324 PolarHBondContact O-N 2.89Å; L322-F325 PolarHBondContact O-N 3.28Å; L322-L326 HydrophobicContact CD1-CD1 4.25Å; L322-L326 HydrophobicContact CD1-CG 4.38Å; L322-L326 HydrophobicContact CG-CD1 4.14Å; L322-L326 VanDerWaalsContact O-CG 3.26Å; L322-L326 WeakPolarHBondContact O-CG 3.46Å; L322-L326 PolarHBondContact O-N 2.97Å
323R90.5Very high83.2Confident13 Ų1359.4 Ų59.45%0.04933%0.332CS..Hα-helixtrans-57.1-48.4174.7-177.1-171.35963.310.2111.1C261 L264 E268 V319 S320 N321 F325 L326 W327 F382C261-R323 HydrophobicContact CB-CG 4.12Å; L264-R323 HydrophobicContact CB-CB 4.2Å; L264-R323 HydrophobicContact CB-CG 4.31Å; L264-R323 HydrophobicContact CD1-CB 3.95Å; E268-R323 IonicContact OE2-NE 2.69Å; V319-R323 VanDerWaalsContact O-CB 3.3Å; V319-R323 WeakPolarHBondContact O-CB 3.28Å; V319-R323 PolarHBondContact O-N 2.99Å; S320-R323 PolarHBondContact OG-NH2 3.37Å; N321-R323 PolarHBondContact O-N 3.32Å; R323-F325 PolarHBondContact O-N 3.05Å; R323-L326 PolarHBondContact O-N 3.38Å; R323-W327 WeakPolarHBondContact O-CB 3.38Å; R323-W327 PolarHBondContact O-N 3.12Å; R323-F382 VanDerWaalsContact NH1-CD2 3.29Å; R323-F382 VanDerWaalsContact NH1-CE1 3.31Å
324S89.3Confident84.9Confident46 Ų4655.4 Ų55.432%0.32230%0.299SS..Hα-helixtrans-63.6-41.7179.9-59.30000111.6S320 N321 L322 L326 W327 I328S320-S324 VanDerWaalsContact O-CB 3.3Å; S320-S324 WeakPolarHBondContact O-CB 3.41Å; S320-S324 PolarHBondContact O-N 3.5Å; S320-S324 PolarHBondContact O-OG 3.48Å; N321-S324 PolarHBondContact O-N 3.38Å; L322-S324 PolarHBondContact O-N 2.89Å; S324-L326 PolarHBondContact O-N 3.39Å; S324-W327 WeakPolarHBondContact O-CB 2.93Å; S324-W327 PolarHBondContact O-N 3.4Å; S324-I328 WeakPolarHBondContact O-CG1 3.29Å; S324-I328 PolarHBondContact O-N 3.15Å; S324-I328 VanDerWaalsContact O-N 3.12Å
325F91.3Very high86.5Confident126 Ų12653.6 Ų53.655%0.55327%0.273SS*.Hα-helixtrans-59.8-46.7175.8175.9-101.6000112.2N321 L322 R323 W327 I328N321-F325 WeakPolarHBondContact O-CB 3.39Å; N321-F325 PolarHBondContact O-N 2.82Å; L322-F325 PolarHBondContact O-N 3.28Å; R323-F325 PolarHBondContact O-N 3.05Å; F325-W327 VanDerWaalsContact C-N 3.33Å; F325-I328 PolarHBondContact O-N 3.21Å
326L91Very high87.8Confident26 Ų2657.7 Ų57.714%0.13628%0.275CS..Hα-helixtrans-64.2-41.5176.4-66.7171.9000110.9L257 F260 L264 L322 R323 S324 I328 R329L257-L326 HydrophobicContact CD1-CB 4.49Å; L257-L326 HydrophobicContact CD1-CD2 4.11Å; L257-L326 HydrophobicContact CD2-CB 4.11Å; L257-L326 VanDerWaalsContact CD2-O 3.29Å; L257-L326 WeakPolarHBondContact CD2-O 3.3Å; L257-L326 HydrophobicContact CG-CB 4.38Å; F260-L326 HydrophobicContact CD1-CD1 3.62Å; F260-L326 HydrophobicContact CE1-CD1 3.48Å; F260-L326 VanDerWaalsContact CE1-CD1 3.48Å; L264-L326 HydrophobicContact CD1-CD1 4.19Å; L322-L326 HydrophobicContact CD1-CD1 4.25Å; L322-L326 HydrophobicContact CD1-CG 4.38Å; L322-L326 HydrophobicContact CG-CD1 4.14Å; L322-L326 VanDerWaalsContact O-CG 3.26Å; L322-L326 WeakPolarHBondContact O-CG 3.46Å; L322-L326 PolarHBondContact O-N 2.97Å; R323-L326 PolarHBondContact O-N 3.38Å; S324-L326 PolarHBondContact O-N 3.39Å; L326-I328 VanDerWaalsContact C-N 3.28Å; L326-I328 PolarHBondContact O-N 3.39Å; L326-R329 PolarHBondContact O-N 3.03Å
327W90.2Very high88.5Confident20 Ų2056.9 Ų56.98%0.07627%0.267CS..Hα-helixtrans-60.8-32.2179.9-172.4-104.3000114V258 C261 R323 S324 F325 R329 V330 Q331 L377 F382V258-W327 HydrophobicContact CG1-CZ3 4.34Å; V258-W327 HydrophobicContact CG2-CZ3 4.09Å; C261-W327 HydrophobicContact CB-CE3 4.3Å; R323-W327 WeakPolarHBondContact O-CB 3.38Å; R323-W327 PolarHBondContact O-N 3.12Å; S324-W327 WeakPolarHBondContact O-CB 2.93Å; S324-W327 PolarHBondContact O-N 3.4Å; F325-W327 VanDerWaalsContact C-N 3.33Å; W327-R329 PolarHBondContact O-N 3.11Å; W327-R329 VanDerWaalsContact O-N 3.13Å; W327-V330 HydrophobicContact CD2-CB 4.39Å; W327-V330 HydrophobicContact CE3-CB 4.15Å; W327-V330 HydrophobicContact CE3-CG1 4.37Å; W327-V330 HydrophobicContact CE3-CG2 4.26Å; W327-V330 HydrophobicContact CH2-CG1 4.13Å; W327-V330 HydrophobicContact CZ3-CB 4.33Å; W327-V330 HydrophobicContact CZ3-CG1 4.05Å; W327-V330 WeakPolarHBondContact O-CB 3.4Å; W327-V330 PolarHBondContact O-N 2.63Å; W327-Q331 PolarHBondContact O-N 3.32Å; W327-L377 HydrophobicContact CH2-CD2 4.05Å; W327-L377 HydrophobicContact CH2-CG 4.46Å; W327-L377 HydrophobicContact CZ2-CD2 3.5Å; W327-L377 HydrophobicContact CZ2-CG 3.84Å; W327-F382 AromaticContact CD1-CE2 3.73Å; W327-F382 AromaticContact CD2-CE2 3.62Å; W327-F382 HydrophobicContact CD2-CE2 3.62Å; W327-F382 AromaticContact CD2-CZ 3.52Å; W327-F382 HydrophobicContact CD2-CZ 3.52Å; W327-F382 AromaticContact CE2-CE2 3.56Å; W327-F382 AromaticContact CE2-CZ 3.78Å; W327-F382 HydrophobicContact CE3-CE2 4.26Å; W327-F382 AromaticContact CE3-CZ 3.67Å; W327-F382 HydrophobicContact CE3-CZ 3.67Å; W327-F382 AromaticContact CG-CE2 3.71Å; W327-F382 HydrophobicContact CG-CE2 3.71Å; W327-F382 AromaticContact CG-CZ 3.94Å; W327-F382 HydrophobicContact CG-CZ 3.94Å; W327-F382 HydrophobicContact CH2-CZ 4.25Å; W327-F382 HydrophobicContact CZ2-CE2 4.12Å; W327-F382 HydrophobicContact CZ2-CZ 4.13Å; W327-F382 HydrophobicContact CZ3-CZ 4.03Å; W327-F382 AromaticContact NE1-CE2 3.63Å
328I90.6Very high88.6Confident87 Ų8757 Ų5745%0.44627%0.267SS..Hα-helixtrans-51.7-40.7178.4-69.5164.6000111.2S324 F325 L326 V330 Q331 Q332S324-I328 WeakPolarHBondContact O-CG1 3.29Å; S324-I328 PolarHBondContact O-N 3.15Å; S324-I328 VanDerWaalsContact O-N 3.12Å; F325-I328 PolarHBondContact O-N 3.21Å; L326-I328 VanDerWaalsContact C-N 3.28Å; L326-I328 PolarHBondContact O-N 3.39Å; I328-V330 PolarHBondContact O-N 2.91Å; I328-Q331 PolarHBondContact O-N 2.86Å; I328-Q332 HydrophobicContact CG2-CG 4.15Å; I328-Q332 WeakPolarHBondContact O-CB 3.39Å; I328-Q332 VanDerWaalsContact O-CG 3.26Å; I328-Q332 WeakPolarHBondContact O-CG 3.32Å; I328-Q332 PolarHBondContact O-N 3.42Å
329R89.1Confident88.5Confident155 Ų15554.9 Ų54.959%0.58526%0.259SS*.Hα-helixtrans-64.4-40.7179.2-70.2-172.1177.6151.6-0.4112.7L326 W327 F333L326-R329 PolarHBondContact O-N 3.03Å; W327-R329 PolarHBondContact O-N 3.11Å; W327-R329 VanDerWaalsContact O-N 3.13Å; R329-F333 WeakPolarHBondContact O-CB 3.26Å; R329-F333 PolarHBondContact O-N 3.03Å; R329-F333 VanDerWaalsContact O-N 3.1Å
330V87.4Confident88.5Confident1 Ų158.8 Ų58.81%0.00628%0.283CS..Hα-helixtrans-65.8-44.1176.7-177.70000110.2L257 V258 W327 I328 F333 T334L257-V330 HydrophobicContact CD2-CG2 3.43Å; L257-V330 VanDerWaalsContact CD2-CG2 3.43Å; V258-V330 HydrophobicContact CG2-CB 4.36Å; V258-V330 HydrophobicContact CG2-CG1 3.65Å; V258-V330 HydrophobicContact CG2-CG2 3.77Å; W327-V330 HydrophobicContact CD2-CB 4.39Å; W327-V330 HydrophobicContact CE3-CB 4.15Å; W327-V330 HydrophobicContact CE3-CG1 4.37Å; W327-V330 HydrophobicContact CE3-CG2 4.26Å; W327-V330 HydrophobicContact CH2-CG1 4.13Å; W327-V330 HydrophobicContact CZ3-CB 4.33Å; W327-V330 HydrophobicContact CZ3-CG1 4.05Å; W327-V330 WeakPolarHBondContact O-CB 3.4Å; W327-V330 PolarHBondContact O-N 2.63Å; I328-V330 PolarHBondContact O-N 2.91Å; V330-F333 PolarHBondContact O-N 3.4Å; V330-T334 PolarHBondContact O-N 2.91Å; V330-T334 PolarHBondContact O-OG1 3.28Å
331Q86.9Confident88.6Confident60 Ų6064.4 Ų64.428%0.2830%0.301SS..Hα-helixtrans-61-47.7178.6-174.2179.8-14.600111.6W327 I328 F333 T334 N335 N374W327-Q331 PolarHBondContact O-N 3.32Å; I328-Q331 PolarHBondContact O-N 2.86Å; Q331-F333 PolarHBondContact O-N 3.41Å; Q331-T334 PolarHBondContact O-N 3.13Å; Q331-N335 WeakPolarHBondContact O-CB 3.38Å; Q331-N335 PolarHBondContact O-N 3.26Å; Q331-N374 HydrophobicContact CG-CB 3.89Å
332Q88.7Confident88.5Confident112 Ų11260.8 Ų60.852%0.52328%0.282SS..Hα-helixtrans-64.7-39.6179.4-68.7-61.7-17.500112.3I328 R336I328-Q332 HydrophobicContact CG2-CG 4.15Å; I328-Q332 WeakPolarHBondContact O-CB 3.39Å; I328-Q332 VanDerWaalsContact O-CG 3.26Å; I328-Q332 WeakPolarHBondContact O-CG 3.32Å; I328-Q332 PolarHBondContact O-N 3.42Å; Q332-R336 WeakPolarHBondContact O-CB 3.26Å; Q332-R336 PolarHBondContact O-N 3.38Å
333F87.4Confident88.5Confident43 Ų4363.4 Ų63.419%0.18929%0.29CS..Hα-helixtrans-59.9-48.3174.1177.9-91.6000111.4P248 L254 R329 V330 Q331 R336 V337P248-F333 HydrophobicContact CB-CD1 3.82Å; P248-F333 HydrophobicContact CB-CE1 3.68Å; P248-F333 HydrophobicContact CB-CZ 4.48Å; L254-F333 HydrophobicContact CD1-CB 4.01Å; L254-F333 HydrophobicContact CD1-CD1 4.15Å; L254-F333 HydrophobicContact CD1-CD2 3.62Å; L254-F333 HydrophobicContact CD1-CE2 4.1Å; L254-F333 HydrophobicContact CD1-CG 3.64Å; R329-F333 WeakPolarHBondContact O-CB 3.26Å; R329-F333 PolarHBondContact O-N 3.03Å; R329-F333 VanDerWaalsContact O-N 3.1Å; V330-F333 PolarHBondContact O-N 3.4Å; Q331-F333 PolarHBondContact O-N 3.41Å; F333-R336 PolarHBondContact O-N 3.01Å; F333-V337 HydrophobicContact CD1-CG2 4.27Å; F333-V337 HydrophobicContact CE1-CG2 3.87Å; F333-V337 HydrophobicContact CE2-CG2 4.25Å; F333-V337 HydrophobicContact CZ-CG2 3.86Å; F333-V337 VanDerWaalsContact O-CG2 3.31Å; F333-V337 WeakPolarHBondContact O-CG2 3.41Å; F333-V337 PolarHBondContact O-N 3.05Å
334T84Confident88.6Confident4 Ų465.6 Ų65.63%0.02531%0.311CS..Hα-helixtrans-63-46.2-179.6-54.20000111.2V330 Q331 R336 V337 V338V330-T334 PolarHBondContact O-N 2.91Å; V330-T334 PolarHBondContact O-OG1 3.28Å; Q331-T334 PolarHBondContact O-N 3.13Å; T334-R336 PolarHBondContact O-N 3.49Å; T334-V337 PolarHBondContact O-N 2.91Å; T334-V338 HydrophobicContact CG2-CG2 4.5Å; T334-V338 WeakPolarHBondContact O-CG2 3.44Å; T334-V338 PolarHBondContact O-N 3.33Å
335N86Confident88.6Confident31 Ų3165 Ų6517%0.16630%0.304CS..Hα-helixtrans-55.7-51.9178-163.66.8000111.4Q331 V337 V338 Q339 T370 N374Q331-N335 WeakPolarHBondContact O-CB 3.38Å; Q331-N335 PolarHBondContact O-N 3.26Å; N335-V337 PolarHBondContact O-N 3.02Å; N335-V338 PolarHBondContact O-N 3.35Å; N335-Q339 WeakPolarHBondContact O-CB 3.48Å; N335-Q339 PolarHBondContact O-N 2.99Å; N335-Q339 VanDerWaalsContact OD1-CD 3.31Å; N335-Q339 PolarHBondContact OD1-NE2 3.08Å; N335-T370 HydrophobicContact CB-CG2 4.49Å; N335-T370 WeakPolarHBondContact OD1-CG2 3.36Å; N335-N374 WeakPolarHBondContact CB-ND2 3.44Å
336R87.6Confident88.6Confident148 Ų14859.6 Ų59.656%0.55828%0.28SS*.Hα-helixtrans-58.5-47.1178.8-178-174.866.7178.91.4112.2Q332 F333 T334 V338 V340Q332-R336 WeakPolarHBondContact O-CB 3.26Å; Q332-R336 PolarHBondContact O-N 3.38Å; F333-R336 PolarHBondContact O-N 3.01Å; T334-R336 PolarHBondContact O-N 3.49Å; R336-V338 PolarHBondContact O-N 3.36Å; R336-V340 HydrophobicContact CG-CG2 4.2Å; R336-V340 VanDerWaalsContact O-CB 3.3Å; R336-V340 WeakPolarHBondContact O-CB 3.19Å; R336-V340 WeakPolarHBondContact O-CG2 3.26Å; R336-V340 PolarHBondContact O-N 3.32Å
337V86.3Confident88.6Confident48 Ų4864.6 Ų64.629%0.29130%0.303SS..Hα-helixtrans-63.5-43.2-176.9170.20000111.2F333 T334 N335 R341F333-V337 HydrophobicContact CD1-CG2 4.27Å; F333-V337 HydrophobicContact CE1-CG2 3.87Å; F333-V337 HydrophobicContact CE2-CG2 4.25Å; F333-V337 HydrophobicContact CZ-CG2 3.86Å; F333-V337 VanDerWaalsContact O-CG2 3.31Å; F333-V337 WeakPolarHBondContact O-CG2 3.41Å; F333-V337 PolarHBondContact O-N 3.05Å; T334-V337 PolarHBondContact O-N 2.91Å; N335-V337 PolarHBondContact O-N 3.02Å; V337-R341 VanDerWaalsContact O-CB 3.24Å; V337-R341 WeakPolarHBondContact O-CB 3.33Å; V337-R341 PolarHBondContact O-N 3.06Å; V337-R341 VanDerWaalsContact O-N 3.1Å
338V85.8Confident88.6Confident4 Ų465.8 Ų65.82%0.02431%0.314CS..Hα-helixtrans-69-48.8179.3175.10000111Y245 T334 N335 R336 V340 R341 L342 T370 I373 M557 F561Y245-V338 HydrophobicContact CD1-CG2 4.32Å; T334-V338 HydrophobicContact CG2-CG2 4.5Å; T334-V338 WeakPolarHBondContact O-CG2 3.44Å; T334-V338 PolarHBondContact O-N 3.33Å; N335-V338 PolarHBondContact O-N 3.35Å; R336-V338 PolarHBondContact O-N 3.36Å; V338-V340 PolarHBondContact O-N 3.27Å; V338-R341 PolarHBondContact O-N 3.33Å; V338-L342 WeakPolarHBondContact O-CB 3.28Å; V338-L342 PolarHBondContact O-N 3.42Å; V338-T370 HydrophobicContact CB-CG2 3.83Å; V338-T370 HydrophobicContact CG1-CG2 3.81Å; V338-I373 HydrophobicContact CG1-CD1 4.25Å; V338-M557 HydrophobicContact CG1-CE 4.24Å; V338-M557 HydrophobicContact CG1-SD 4.05Å; V338-F561 HydrophobicContact CG1-CE2 4.42Å
339Q88.6Confident88.6Confident62 Ų6262.2 Ų62.229%0.2930%0.296SS..Hα-helixtrans-58.7-48.8178.5-82.2176.7-20.700112.1N335 R341 L342 F343 I366 T370N335-Q339 WeakPolarHBondContact O-CB 3.48Å; N335-Q339 PolarHBondContact O-N 2.99Å; N335-Q339 VanDerWaalsContact OD1-CD 3.31Å; N335-Q339 PolarHBondContact OD1-NE2 3.08Å; Q339-R341 PolarHBondContact O-N 2.88Å; Q339-L342 PolarHBondContact O-N 3.15Å; Q339-F343 WeakPolarHBondContact O-CB 3.34Å; Q339-F343 PolarHBondContact O-N 3.25Å; Q339-I366 HydrophobicContact CG-CG2 4.36Å; Q339-T370 HydrophobicContact CG-CG2 3.96Å
340V90.1Very high88.6Confident91 Ų9155.6 Ų55.655%0.55227%0.273SS*.Hα-helixtrans-65.6-40.9-178.6172.20000111.3R336 V338 F343 A344R336-V340 HydrophobicContact CG-CG2 4.2Å; R336-V340 VanDerWaalsContact O-CB 3.3Å; R336-V340 WeakPolarHBondContact O-CB 3.19Å; R336-V340 WeakPolarHBondContact O-CG2 3.26Å; R336-V340 PolarHBondContact O-N 3.32Å; V338-V340 PolarHBondContact O-N 3.27Å; V340-F343 PolarHBondContact O-N 3.36Å; V340-A344 WeakPolarHBondContact O-CB 3.45Å; V340-A344 PolarHBondContact O-N 2.96Å
341R88.5Confident88.5Confident138 Ų13857.8 Ų57.852%0.52129%0.285SS..Hα-helixtrans-67.1-41178.1-173.1178.2-74170.9-1.2111.7V337 V338 Q339 A344 H345 F561V337-R341 VanDerWaalsContact O-CB 3.24Å; V337-R341 WeakPolarHBondContact O-CB 3.33Å; V337-R341 PolarHBondContact O-N 3.06Å; V337-R341 VanDerWaalsContact O-N 3.1Å; V338-R341 PolarHBondContact O-N 3.33Å; Q339-R341 PolarHBondContact O-N 2.88Å; R341-A344 PolarHBondContact O-N 3.33Å; R341-H345 WeakPolarHBondContact O-CB 3.12Å; R341-H345 PolarHBondContact O-N 2.93Å; R341-F561 HydrophobicContact CB-CZ 4.48Å; R341-F561 HydrophobicContact CG-CE1 4.07Å; R341-F561 HydrophobicContact CG-CZ 4.43Å
342L89.3Confident88.5Confident0 Ų058.9 Ų58.90%029%0.286CS..Hα-helixtrans-65.2-45.6176.3-176.651.9000110.9V338 Q339 A344 H345 L346 I366 M557 L560 F561V338-L342 WeakPolarHBondContact O-CB 3.28Å; V338-L342 PolarHBondContact O-N 3.42Å; Q339-L342 PolarHBondContact O-N 3.15Å; L342-A344 VanDerWaalsContact C-N 3.33Å; L342-A344 PolarHBondContact O-N 3.4Å; L342-H345 PolarHBondContact O-N 3.08Å; L342-H345 VanDerWaalsContact O-N 3.16Å; L342-L346 HydrophobicContact CD1-CG 4.28Å; L342-L346 HydrophobicContact CG-CD1 4.27Å; L342-L346 HydrophobicContact CG-CG 4.5Å; L342-L346 WeakPolarHBondContact O-CG 2.87Å; L342-L346 PolarHBondContact O-N 2.92Å; L342-I366 HydrophobicContact CD2-CB 4.13Å; L342-I366 HydrophobicContact CD2-CG1 3.7Å; L342-I366 HydrophobicContact CD2-CG2 4.07Å; L342-I366 HydrophobicContact CG-CG1 4.14Å; L342-M557 HydrophobicContact CD2-CG 3.41Å; L342-M557 VanDerWaalsContact CD2-CG 3.41Å; L342-M557 HydrophobicContact CD2-SD 4.04Å; L342-L560 HydrophobicContact CD1-CB 4.04Å; L342-F561 VanDerWaalsContact CA-CZ 3.5Å; L342-F561 HydrophobicContact CB-CE1 4.08Å; L342-F561 HydrophobicContact CB-CE2 3.81Å; L342-F561 HydrophobicContact CB-CZ 3.45Å; L342-F561 VanDerWaalsContact CB-CZ 3.45Å; L342-F561 HydrophobicContact CD1-CD1 4.1Å; L342-F561 HydrophobicContact CD1-CD2 3.84Å; L342-F561 HydrophobicContact CD1-CE1 4.03Å; L342-F561 HydrophobicContact CD1-CE2 3.78Å; L342-F561 HydrophobicContact CD1-CG 4.02Å; L342-F561 HydrophobicContact CD1-CZ 3.89Å; L342-F561 HydrophobicContact CD2-CE2 4.16Å; L342-F561 HydrophobicContact CG-CE2 4.13Å; L342-F561 HydrophobicContact CG-CZ 4.16Å
343F90.7Very high88.5Confident116 Ų11654.7 Ų54.751%0.50927%0.266SS..Hα-helixtrans-59.5-43.9177.1-172.3-103.8000111.8Q339 V340 H345 L346 H347Q339-F343 WeakPolarHBondContact O-CB 3.34Å; Q339-F343 PolarHBondContact O-N 3.25Å; V340-F343 PolarHBondContact O-N 3.36Å; F343-H345 VanDerWaalsContact C-N 3.34Å; F343-H345 PolarHBondContact O-N 2.99Å; F343-L346 PolarHBondContact O-N 3.33Å; F343-H347 AromaticContact CD1-CD2 3.82Å; F343-H347 AromaticContact CE1-CD2 3.48Å; F343-H347 VanDerWaalsContact CE1-CD2 3.48Å; F343-H347 WeakPolarHBondContact CE1-CD2 3.24Å; F343-H347 AromaticContact CE1-NE2 3.31Å; F343-H347 VanDerWaalsContact CE1-NE2 3.31Å; F343-H347 WeakPolarHBondContact CE1-NE2 3.12Å; F343-H347 AromaticContact CE2-NE2 3.71Å; F343-H347 AromaticContact CZ-CD2 3.66Å; F343-H347 AromaticContact CZ-NE2 3.07Å; F343-H347 WeakPolarHBondContact CZ-NE2 3.45Å; F343-H347 PolarHBondContact O-CD2 2.87Å; F343-H347 VanDerWaalsContact O-CD2 3.32Å; F343-H347 PolarHBondContact O-N 2.84Å
344A91.4Very high88.6Confident59 Ų5956 Ų5649%0.48827%0.272SS..Hα-helixtrans-61.1-40.917500000112.6V340 R341 L342 H347 S348V340-A344 WeakPolarHBondContact O-CB 3.45Å; V340-A344 PolarHBondContact O-N 2.96Å; R341-A344 PolarHBondContact O-N 3.33Å; L342-A344 VanDerWaalsContact C-N 3.33Å; L342-A344 PolarHBondContact O-N 3.4Å; A344-H347 PolarHBondContact O-N 3.42Å; A344-S348 PolarHBondContact O-N 3.29Å
345H90.5Very high88.7Confident35 Ų3561.4 Ų61.416%0.16230%0.3CS..Hα-helixtrans-68.8-40.2176.8179.354.9000112.5R341 L342 F343 H347 S348 L349 L560 F561 E563R341-H345 WeakPolarHBondContact O-CB 3.12Å; R341-H345 PolarHBondContact O-N 2.93Å; L342-H345 PolarHBondContact O-N 3.08Å; L342-H345 VanDerWaalsContact O-N 3.16Å; F343-H345 VanDerWaalsContact C-N 3.34Å; F343-H345 PolarHBondContact O-N 2.99Å; H345-H347 PolarHBondContact O-N 3.39Å; H345-S348 PolarHBondContact O-N 3Å; H345-S348 PolarHBondContact O-OG 2.98Å; H345-L349 PolarHBondContact O-N 2.88Å; H345-L560 PolarHBondContact CD2-O 3.23Å; H345-L560 VanDerWaalsContact CD2-O 3.29Å; H345-L560 PolarHBondContact NE2-O 3.44Å; H345-F561 PolarHBondContact NE2-O 2.99Å; H345-E563 PolarHBondContact CE1-O 3.29Å; H345-E563 VanDerWaalsContact CE1-O 3.3Å; H345-E563 PolarHBondContact NE2-O 3.4Å
346L91.4Very high88.4Confident11 Ų1163.1 Ų63.16%0.05833%0.326CS..Hα-helixtrans-60.8-32.9175.6-70.2173.6000112.4L342 F343 S348 L349 W353 H354 V362 I366 L560L342-L346 HydrophobicContact CD1-CG 4.28Å; L342-L346 HydrophobicContact CG-CD1 4.27Å; L342-L346 HydrophobicContact CG-CG 4.5Å; L342-L346 WeakPolarHBondContact O-CG 2.87Å; L342-L346 PolarHBondContact O-N 2.92Å; F343-L346 PolarHBondContact O-N 3.33Å; L346-S348 VanDerWaalsContact C-N 3.28Å; L346-S348 PolarHBondContact O-N 3.47Å; L346-L349 HydrophobicContact CD2-CD1 3.8Å; L346-L349 PolarHBondContact O-N 3.29Å; L346-W353 HydrophobicContact CD2-CH2 3.55Å; L346-W353 HydrophobicContact CD2-CZ2 4.32Å; L346-W353 HydrophobicContact CD2-CZ3 3.98Å; L346-H354 PolarHBondContact O-CE1 3.33Å; L346-H354 VanDerWaalsContact O-CE1 3.28Å; L346-H354 PolarHBondContact O-NE2 2.93Å; L346-V362 HydrophobicContact CD1-CG1 3.8Å; L346-V362 HydrophobicContact CD2-CG1 4.05Å; L346-I366 HydrophobicContact CD1-CD1 3.24Å; L346-I366 HydrophobicContact CD1-CG1 3.86Å; L346-L560 HydrophobicContact CD2-CB 4.4Å
347H90.9Very high88.1Confident131 Ų13161.4 Ų61.461%0.60632%0.319SS*.THydrogen-bonded Turntrans-71.7-18173.4-85.7-69.2000114.2F343 A344 H345F343-H347 AromaticContact CD1-CD2 3.82Å; F343-H347 AromaticContact CE1-CD2 3.48Å; F343-H347 VanDerWaalsContact CE1-CD2 3.48Å; F343-H347 WeakPolarHBondContact CE1-CD2 3.24Å; F343-H347 AromaticContact CE1-NE2 3.31Å; F343-H347 VanDerWaalsContact CE1-NE2 3.31Å; F343-H347 WeakPolarHBondContact CE1-NE2 3.12Å; F343-H347 AromaticContact CE2-NE2 3.71Å; F343-H347 AromaticContact CZ-CD2 3.66Å; F343-H347 AromaticContact CZ-NE2 3.07Å; F343-H347 WeakPolarHBondContact CZ-NE2 3.45Å; F343-H347 PolarHBondContact O-CD2 2.87Å; F343-H347 VanDerWaalsContact O-CD2 3.32Å; F343-H347 PolarHBondContact O-N 2.84Å; A344-H347 PolarHBondContact O-N 3.42Å; H345-H347 PolarHBondContact O-N 3.39Å
348S88.9Confident87.8Confident45 Ų4565.9 Ų65.932%0.31534%0.335SS..THydrogen-bonded Turntrans-88.8-12.4174.167.90000113.6A344 H345 L346 E565A344-S348 PolarHBondContact O-N 3.29Å; H345-S348 PolarHBondContact O-N 3Å; H345-S348 PolarHBondContact O-OG 2.98Å; L346-S348 VanDerWaalsContact C-N 3.28Å; L346-S348 PolarHBondContact O-N 3.47Å; S348-E565 WeakPolarHBondContact CB-OE1 3.36Å; S348-E565 VanDerWaalsContact OG-CD 3.3Å; S348-E565 PolarHBondContact OG-OE1 3.42Å
349L91Very high87.6Confident12 Ų1270.2 Ų70.26%0.06336%0.361CS..SBendtrans-68.8156.9175.4-61.1-179.8000112.8H345 L346 W353 E563 E565H345-L349 PolarHBondContact O-N 2.88Å; L346-L349 HydrophobicContact CD2-CD1 3.8Å; L346-L349 PolarHBondContact O-N 3.29Å; L349-W353 HydrophobicContact CB-CD2 4.39Å; L349-W353 HydrophobicContact CB-CE3 4.26Å; L349-W353 HydrophobicContact CD1-CD2 3.68Å; L349-W353 HydrophobicContact CD1-CE3 3.75Å; L349-W353 HydrophobicContact CD1-CG 4.3Å; L349-W353 HydrophobicContact CD1-CH2 3.94Å; L349-W353 HydrophobicContact CD1-CZ2 3.84Å; L349-W353 HydrophobicContact CD1-CZ3 3.89Å; L349-E563 HydrophobicContact CD1-CB 4.29Å; L349-E563 HydrophobicContact CD1-CG 4.17Å; L349-E563 HydrophobicContact CD2-CB 4.05Å; L349-E563 HydrophobicContact CD2-CG 3.86Å; L349-E565 HydrophobicContact CD2-CG 4.49Å
350S88.2Confident87.2Confident16 Ų1669.1 Ų69.111%0.11237%0.367CS..  trans-73.6157.3-173.778.70000113.5R352 W353 H354 E566S350-R352 PolarHBondContact O-N 2.92Å; S350-W353 WeakPolarHBondContact O-CB 3.48Å; S350-W353 PolarHBondContact O-N 2.77Å; S350-W353 VanDerWaalsContact O-N 3.11Å; S350-H354 PolarHBondContact O-CD2 3.4Å; S350-H354 VanDerWaalsContact O-CD2 3.31Å; S350-H354 PolarHBondContact O-N 3.38Å; S350-E566 VanDerWaalsContact CB-OE2 3.31Å; S350-E566 WeakPolarHBondContact CB-OE2 3.36Å; S350-E566 PolarHBondContact OG-OE2 3.01Å
351L87.3Confident86.5Confident47 Ų4767.2 Ų67.225%0.24635%0.354CS..Hα-helixtrans-59.1-33.1176.8-178.962.3000112.1W353 H354 L355 F632 Y633L351-W353 VanDerWaalsContact C-N 3.3Å; L351-W353 PolarHBondContact O-N 2.91Å; L351-H354 PolarHBondContact O-N 3.38Å; L351-L355 HydrophobicContact CD1-CD1 4.29Å; L351-L355 HydrophobicContact CD1-CG 4.19Å; L351-L355 HydrophobicContact CD2-CD1 4.48Å; L351-L355 HydrophobicContact CG-CD1 3.95Å; L351-L355 HydrophobicContact CG-CG 4.3Å; L351-L355 WeakPolarHBondContact O-CG 3.37Å; L351-L355 PolarHBondContact O-N 3.29Å; L351-F632 HydrophobicContact CB-CB 4.36Å; L351-F632 HydrophobicContact CB-CD1 4.4Å; L351-F632 HydrophobicContact CB-CG 4.43Å; L351-F632 HydrophobicContact CD2-CB 4.29Å; L351-F632 HydrophobicContact CD2-CD2 3.99Å; L351-F632 HydrophobicContact CD2-CE2 4.43Å; L351-F632 HydrophobicContact CD2-CG 4.08Å; L351-Y633 HydrophobicContact CD2-CE2 4.27Å
352R86.2Confident86.3Confident83 Ų8361.4 Ų61.431%0.31333%0.333SS..Hα-helixtrans-58.8-45.1176.1-167.5178.8-73.2148.65.2111.5S350 H354 L355 G356 E566 Y592 Y633S350-R352 PolarHBondContact O-N 2.92Å; R352-H354 VanDerWaalsContact C-N 3.34Å; R352-L355 PolarHBondContact O-N 3.5Å; R352-G356 PolarHBondContact O-N 3.36Å; R352-E566 IonicContact CZ-OE1 3.81Å; R352-E566 VanDerWaalsContact CZ-OE1 3.26Å; R352-E566 IonicContact NH1-OE1 2.84Å; R352-E566 PolarHBondContact NH1-OE1 3.5Å; R352-E566 IonicContact NH1-OE2 2.58Å; R352-E566 IonicContact NH2-OE1 3.46Å; R352-E566 PolarHBondContact NH2-OE1 2.95Å; R352-Y592 PolarHBondContact NE-O 2.97Å; R352-Y592 VanDerWaalsContact NE-O 3.15Å; R352-Y592 PolarHBondContact NH1-O 3.43Å; R352-Y592 PolarHBondContact NH2-O 3.13Å; R352-Y592 VanDerWaalsContact NH2-O 3.07Å; R352-Y633 HydrophobicContact CB-CE1 3.9Å; R352-Y633 PolarHBondContact N-OH 3.29Å
353W88.7Confident86Confident24 Ų2465.4 Ų65.49%0.09135%0.354CS..Hα-helixtrans-63.3-42.8-178.9-173.997.2000111.1L346 L349 S350 L351 G356 R357 V362 L560 E563L346-W353 HydrophobicContact CD2-CH2 3.55Å; L346-W353 HydrophobicContact CD2-CZ2 4.32Å; L346-W353 HydrophobicContact CD2-CZ3 3.98Å; L349-W353 HydrophobicContact CB-CD2 4.39Å; L349-W353 HydrophobicContact CB-CE3 4.26Å; L349-W353 HydrophobicContact CD1-CD2 3.68Å; L349-W353 HydrophobicContact CD1-CE3 3.75Å; L349-W353 HydrophobicContact CD1-CG 4.3Å; L349-W353 HydrophobicContact CD1-CH2 3.94Å; L349-W353 HydrophobicContact CD1-CZ2 3.84Å; L349-W353 HydrophobicContact CD1-CZ3 3.89Å; S350-W353 WeakPolarHBondContact O-CB 3.48Å; S350-W353 PolarHBondContact O-N 2.77Å; S350-W353 VanDerWaalsContact O-N 3.11Å; L351-W353 VanDerWaalsContact C-N 3.3Å; L351-W353 PolarHBondContact O-N 2.91Å; W353-G356 PolarHBondContact O-N 3.12Å; W353-R357 PolarHBondContact O-N 3.45Å; W353-V362 HydrophobicContact CH2-CB 4.47Å; W353-V362 HydrophobicContact CH2-CG1 3.85Å; W353-V362 HydrophobicContact CH2-CG2 3.72Å; W353-V362 HydrophobicContact CZ3-CG1 4.39Å; W353-V362 HydrophobicContact CZ3-CG2 4.2Å; W353-L560 HydrophobicContact CH2-CD2 3.94Å; W353-L560 HydrophobicContact CZ2-CD2 3.57Å; W353-E563 VanDerWaalsContact CD1-CD 3.4Å; W353-E563 PolarHBondContact NE1-OE2 3.01Å
354H88.6Confident85.6Confident71 Ų7163.3 Ų63.333%0.32934%0.343SS..Hα-helixtrans-65.8-40.4177.2-75.2-71.5000113.1L346 S350 L351 R352 G356 R357L346-H354 PolarHBondContact O-CE1 3.33Å; L346-H354 VanDerWaalsContact O-CE1 3.28Å; L346-H354 PolarHBondContact O-NE2 2.93Å; S350-H354 PolarHBondContact O-CD2 3.4Å; S350-H354 VanDerWaalsContact O-CD2 3.31Å; S350-H354 PolarHBondContact O-N 3.38Å; L351-H354 PolarHBondContact O-N 3.38Å; R352-H354 VanDerWaalsContact C-N 3.34Å; H354-G356 VanDerWaalsContact C-N 3.35Å; H354-R357 VanDerWaalsContact O-O 3.1Å
355L86Confident85.1Confident117 Ų11761.6 Ų61.661%0.61333%0.327SS*.Hα-helixtrans-71.7-28.9177.4-68.3173.2000112.9L351 R352 R357L351-L355 HydrophobicContact CD1-CD1 4.29Å; L351-L355 HydrophobicContact CD1-CG 4.19Å; L351-L355 HydrophobicContact CD2-CD1 4.48Å; L351-L355 HydrophobicContact CG-CD1 3.95Å; L351-L355 HydrophobicContact CG-CG 4.3Å; L351-L355 WeakPolarHBondContact O-CG 3.37Å; L351-L355 PolarHBondContact O-N 3.29Å; R352-L355 PolarHBondContact O-N 3.5Å; L355-R357 VanDerWaalsContact C-N 3.33Å
356G81.1Confident84.9Confident68 Ų6860.4 Ų60.470%0.70132%0.322SS*.Hα-helixtrans-79.7-10.6-179.500000114.7R352 W353 H354R352-G356 PolarHBondContact O-N 3.36Å; W353-G356 PolarHBondContact O-N 3.12Å; H354-G356 VanDerWaalsContact C-N 3.35Å
357R80.3Confident84.5Confident112 Ų11264.2 Ų64.242%0.42334%0.342SS..SBendtrans-124.6147.5-177-65.2-160.3-177.2-146.18.1111.9W353 H354 L355 T359 V362 E563W353-R357 PolarHBondContact O-N 3.45Å; H354-R357 VanDerWaalsContact O-O 3.1Å; L355-R357 VanDerWaalsContact C-N 3.33Å; R357-T359 PolarHBondContact O-N 2.94Å; R357-V362 HydrophobicContact CB-CG2 4.14Å; R357-E563 IonicContact NH2-OE2 2.83Å
358K81.1Confident84.2Confident141 Ų14163.3 Ų63.361%0.61333%0.334SS*.  trans-74.5119.9171.7-61.4-179.2180-176.70108.8G360 D361 V362K358-G360 PolarHBondContact O-N 2.72Å; K358-D361 HydrophobicContact CB-CB 4.31Å; K358-D361 WeakPolarHBondContact O-CB 3.46Å; K358-D361 PolarHBondContact O-N 3.24Å; K358-V362 PolarHBondContact O-N 2.81Å
359T81.1Confident84Confident95 Ų9561.2 Ų61.258%0.58332%0.319SS*.Hα-helixtrans-54.2-38.5-178.8-44.80000112.6R357 D361 V362 L363R357-T359 PolarHBondContact O-N 2.94Å; T359-D361 VanDerWaalsContact C-N 3.3Å; T359-D361 PolarHBondContact O-N 3.21Å; T359-V362 PolarHBondContact O-N 3.36Å; T359-L363 HydrophobicContact CG2-CD1 4Å; T359-L363 PolarHBondContact O-N 2.65Å
360G79.4Confident83.7Confident40 Ų4060.7 Ų60.741%0.41232%0.316SS..Hα-helixtrans-63.9-28.8175.800000114.5K358 R364K358-G360 PolarHBondContact O-N 2.72Å; G360-R364 WeakPolarHBondContact O-CB 3.46Å; G360-R364 VanDerWaalsContact O-CG 3.22Å; G360-R364 WeakPolarHBondContact O-CG 3.37Å; G360-R364 PolarHBondContact O-N 3.13Å; G360-R364 VanDerWaalsContact O-N 3.11Å; G360-R364 PolarHBondContact O-NE 3.02Å
361D75.6Confident83.5Confident51 Ų5163 Ų6327%0.27333%0.332SS..Hα-helixtrans-73.3-38.4174.8-67.1-15.2000111.1K358 T359 R364 S365K358-D361 HydrophobicContact CB-CB 4.31Å; K358-D361 WeakPolarHBondContact O-CB 3.46Å; K358-D361 PolarHBondContact O-N 3.24Å; T359-D361 VanDerWaalsContact C-N 3.3Å; T359-D361 PolarHBondContact O-N 3.21Å; D361-R364 IonicContact OD1-CZ 3.95Å; D361-R364 IonicContact OD1-NE 2.67Å; D361-R364 IonicContact OD1-NH2 3.33Å; D361-R364 PolarHBondContact OD1-NH2 3.21Å; D361-S365 WeakPolarHBondContact O-CB 3.25Å; D361-S365 PolarHBondContact O-N 3Å; D361-S365 PolarHBondContact O-OG 3.43Å
362V85.1Confident83.5Confident15 Ų1561.1 Ų61.19%0.09132%0.323CS..Hα-helixtrans-65.7-51.9176.9179.50000110L346 W353 R357 K358 T359 R364 S365 I366 L560L346-V362 HydrophobicContact CD1-CG1 3.8Å; L346-V362 HydrophobicContact CD2-CG1 4.05Å; W353-V362 HydrophobicContact CH2-CB 4.47Å; W353-V362 HydrophobicContact CH2-CG1 3.85Å; W353-V362 HydrophobicContact CH2-CG2 3.72Å; W353-V362 HydrophobicContact CZ3-CG1 4.39Å; W353-V362 HydrophobicContact CZ3-CG2 4.2Å; R357-V362 HydrophobicContact CB-CG2 4.14Å; K358-V362 PolarHBondContact O-N 2.81Å; T359-V362 PolarHBondContact O-N 3.36Å; V362-R364 VanDerWaalsContact C-N 3.35Å; V362-R364 PolarHBondContact O-N 3.47Å; V362-S365 WeakPolarHBondContact O-CA 3.41Å; V362-S365 WeakPolarHBondContact O-CB 3.25Å; V362-S365 PolarHBondContact O-N 3.27Å; V362-I366 HydrophobicContact CG1-CD1 4.38Å; V362-I366 WeakPolarHBondContact O-CG1 3.34Å; V362-I366 PolarHBondContact O-N 3.28Å; V362-L560 HydrophobicContact CG1-CD1 4.29Å
363L83.3Confident83.3Confident84 Ų8457.3 Ų57.344%0.4431%0.309SS..Hα-helixtrans-55.8-46.5176.8-79157.6000112T359 S365 I366 D367T359-L363 HydrophobicContact CG2-CD1 4Å; T359-L363 PolarHBondContact O-N 2.65Å; L363-S365 VanDerWaalsContact C-N 3.25Å; L363-S365 PolarHBondContact O-N 2.81Å; L363-I366 WeakPolarHBondContact O-CB 3.46Å; L363-I366 PolarHBondContact O-N 2.87Å; L363-I366 VanDerWaalsContact O-N 3.12Å; L363-D367 PolarHBondContact O-N 3.01Å
364R80.4Confident83Confident73 Ų7356.3 Ų56.328%0.27531%0.306SS..Hα-helixtrans-61.2-33.8175.5-77.2-173.4-66.5-172.7-1.8113.4G360 D361 V362 R368G360-R364 WeakPolarHBondContact O-CB 3.46Å; G360-R364 VanDerWaalsContact O-CG 3.22Å; G360-R364 WeakPolarHBondContact O-CG 3.37Å; G360-R364 PolarHBondContact O-N 3.13Å; G360-R364 VanDerWaalsContact O-N 3.11Å; G360-R364 PolarHBondContact O-NE 3.02Å; D361-R364 IonicContact OD1-CZ 3.95Å; D361-R364 IonicContact OD1-NE 2.67Å; D361-R364 IonicContact OD1-NH2 3.33Å; D361-R364 PolarHBondContact OD1-NH2 3.21Å; V362-R364 VanDerWaalsContact C-N 3.35Å; V362-R364 PolarHBondContact O-N 3.47Å; R364-R368 VanDerWaalsContact O-CB 3.23Å; R364-R368 WeakPolarHBondContact O-CB 3.13Å; R364-R368 WeakPolarHBondContact O-CG 3.28Å; R364-R368 PolarHBondContact O-N 2.89Å; R364-R368 PolarHBondContact O-NE 2.75Å
365S82.5Confident82.8Confident22 Ų2254.3 Ų54.315%0.15430%0.3CS..Hα-helixtrans-72.1-33.9177.5-570000111.5D361 V362 L363 G369D361-S365 WeakPolarHBondContact O-CB 3.25Å; D361-S365 PolarHBondContact O-N 3Å; D361-S365 PolarHBondContact O-OG 3.43Å; V362-S365 WeakPolarHBondContact O-CA 3.41Å; V362-S365 WeakPolarHBondContact O-CB 3.25Å; V362-S365 PolarHBondContact O-N 3.27Å; L363-S365 VanDerWaalsContact C-N 3.25Å; L363-S365 PolarHBondContact O-N 2.81Å; S365-G369 WeakPolarHBondContact O-CA 3.19Å; S365-G369 PolarHBondContact O-N 2.52Å
366I86.1Confident82.8Confident11 Ų1149 Ų496%0.05627%0.271CS..Hα-helixtrans-63.9-52.5171.7-61166.2000110.5Q339 L342 L346 V362 L363 T370Q339-I366 HydrophobicContact CG-CG2 4.36Å; L342-I366 HydrophobicContact CD2-CB 4.13Å; L342-I366 HydrophobicContact CD2-CG1 3.7Å; L342-I366 HydrophobicContact CD2-CG2 4.07Å; L342-I366 HydrophobicContact CG-CG1 4.14Å; L346-I366 HydrophobicContact CD1-CD1 3.24Å; L346-I366 HydrophobicContact CD1-CG1 3.86Å; V362-I366 HydrophobicContact CG1-CD1 4.38Å; V362-I366 WeakPolarHBondContact O-CG1 3.34Å; V362-I366 PolarHBondContact O-N 3.28Å; L363-I366 WeakPolarHBondContact O-CB 3.46Å; L363-I366 PolarHBondContact O-N 2.87Å; L363-I366 VanDerWaalsContact O-N 3.12Å; I366-T370 WeakPolarHBondContact O-CB 3.25Å; I366-T370 PolarHBondContact O-N 2.96Å; I366-T370 PolarHBondContact O-OG1 3.41Å
367D83.5Confident82.7Confident90 Ų9046.2 Ų46.248%0.48124%0.241SC..Hα-helixtrans-66.5-50.4-174.9-72.5-26.6000111.7L363 S371L363-D367 PolarHBondContact O-N 3.01Å; D367-S371 VanDerWaalsContact O-CB 3.28Å; D367-S371 WeakPolarHBondContact O-CB 3.46Å; D367-S371 PolarHBondContact O-N 3.16Å
368R84.4Confident82.9Confident113 Ų11342.6 Ų42.643%0.42623%0.232SC..Hα-helixtrans-64.8-43.3176.9-70.9-171.3-69.4158.2-10.5111.4R364 T370 S372 D553R364-R368 VanDerWaalsContact O-CB 3.23Å; R364-R368 WeakPolarHBondContact O-CB 3.13Å; R364-R368 WeakPolarHBondContact O-CG 3.28Å; R364-R368 PolarHBondContact O-N 2.89Å; R364-R368 PolarHBondContact O-NE 2.75Å; R368-T370 PolarHBondContact O-N 3.44Å; R368-S372 WeakPolarHBondContact O-CA 3.32Å; R368-S372 WeakPolarHBondContact O-CB 3.39Å; R368-S372 PolarHBondContact O-N 3.31Å; R368-S372 PolarHBondContact O-OG 3.18Å; R368-D553 HydrophobicContact CB-CB 4.1Å; R368-D553 IonicContact CZ-OD1 3.5Å; R368-D553 IonicContact NE-OD1 3.57Å; R368-D553 IonicContact NH1-OD1 2.84Å; R368-D553 PolarHBondContact NH1-OD1 3.28Å
369G84.6Confident83.2Confident0 Ų038.1 Ų38.10%021%0.212CC..Hα-helixtrans-58.6-47.6178.300000112.4S365 S372 I373S365-G369 WeakPolarHBondContact O-CA 3.19Å; S365-G369 PolarHBondContact O-N 2.52Å; G369-S372 WeakPolarHBondContact O-CB 3.21Å; G369-S372 PolarHBondContact O-N 3.23Å; G369-I373 WeakPolarHBondContact O-CG1 3.37Å; G369-I373 PolarHBondContact O-N 3.35Å
370T84.8Confident83.4Confident1 Ų135.7 Ų35.71%0.00620%0.195CC..Hα-helixtrans-73.5-39.6-177.5-40.20000112.5N335 V338 Q339 I366 R368 S372 I373 N374N335-T370 HydrophobicContact CB-CG2 4.49Å; N335-T370 WeakPolarHBondContact OD1-CG2 3.36Å; V338-T370 HydrophobicContact CB-CG2 3.83Å; V338-T370 HydrophobicContact CG1-CG2 3.81Å; Q339-T370 HydrophobicContact CG-CG2 3.96Å; I366-T370 WeakPolarHBondContact O-CB 3.25Å; I366-T370 PolarHBondContact O-N 2.96Å; I366-T370 PolarHBondContact O-OG1 3.41Å; R368-T370 PolarHBondContact O-N 3.44Å; T370-S372 VanDerWaalsContact C-N 3.28Å; T370-S372 PolarHBondContact O-N 2.74Å; T370-I373 PolarHBondContact O-N 3.01Å; T370-N374 PolarHBondContact O-N 3.42Å; T370-N374 PolarHBondContact O-ND2 3Å
371S84.1Confident83.7Confident64 Ų6435.3 Ų35.345%0.44819%0.185SC..Hα-helixtrans-61.8-39172.4-174.70000111.7D367 N374 S375D367-S371 VanDerWaalsContact O-CB 3.28Å; D367-S371 WeakPolarHBondContact O-CB 3.46Å; D367-S371 PolarHBondContact O-N 3.16Å; S371-N374 PolarHBondContact O-N 3.4Å; S371-S375 WeakPolarHBondContact O-CB 3.48Å; S371-S375 PolarHBondContact O-N 3.4Å; S371-S375 PolarHBondContact O-OG 2.91Å
372S86Confident84.1Confident9 Ų934 Ų346%0.06318%0.177CC..Hα-helixtrans-65.8-39.7178.4-70.40000112.8R368 G369 T370 N374 S375 L376 S550 D553R368-S372 WeakPolarHBondContact O-CA 3.32Å; R368-S372 WeakPolarHBondContact O-CB 3.39Å; R368-S372 PolarHBondContact O-N 3.31Å; R368-S372 PolarHBondContact O-OG 3.18Å; G369-S372 WeakPolarHBondContact O-CB 3.21Å; G369-S372 PolarHBondContact O-N 3.23Å; T370-S372 VanDerWaalsContact C-N 3.28Å; T370-S372 PolarHBondContact O-N 2.74Å; S372-N374 VanDerWaalsContact C-N 3.33Å; S372-N374 PolarHBondContact O-N 2.96Å; S372-S375 PolarHBondContact O-N 3.06Å; S372-L376 WeakPolarHBondContact O-CB 3.4Å; S372-L376 PolarHBondContact O-N 3.49Å; S372-S550 WeakPolarHBondContact CB-O 3.24Å; S372-D553 VanDerWaalsContact OG-CB 3.32Å; S372-D553 WeakPolarHBondContact OG-CB 3.42Å
373I83.3Confident84.1Confident3 Ų334.2 Ų34.22%0.01518%0.179CC..Hα-helixtrans-57-48.6173.9-73.5170.9000110.8L242 V338 G369 T370 L377 M554 M557L242-I373 HydrophobicContact CD2-CB 4.36Å; L242-I373 HydrophobicContact CD2-CG1 3.96Å; L242-I373 HydrophobicContact CD2-CG2 3.82Å; V338-I373 HydrophobicContact CG1-CD1 4.25Å; G369-I373 WeakPolarHBondContact O-CG1 3.37Å; G369-I373 PolarHBondContact O-N 3.35Å; T370-I373 PolarHBondContact O-N 3.01Å; I373-L377 VanDerWaalsContact O-CB 3.29Å; I373-L377 WeakPolarHBondContact O-CB 3.5Å; I373-L377 PolarHBondContact O-N 3.42Å; I373-L377 VanDerWaalsContact O-N 3.09Å; I373-M554 HydrophobicContact CD1-CG 4.26Å; I373-M554 HydrophobicContact CG1-CB 4.44Å; I373-M554 HydrophobicContact CG1-CG 3.8Å; I373-M554 HydrophobicContact CG1-SD 4.23Å; I373-M557 HydrophobicContact CD1-CE 3.38Å; I373-M557 HydrophobicContact CD1-SD 3.92Å
374N82.8Confident84.2Confident3 Ų331.8 Ų31.82%0.01617%0.166CC..Hα-helixtrans-66.2-41179.8-75.2-43.1000112.4Q331 N335 T370 S371 S372 S378Q331-N374 HydrophobicContact CG-CB 3.89Å; N335-N374 WeakPolarHBondContact CB-ND2 3.44Å; T370-N374 PolarHBondContact O-N 3.42Å; T370-N374 PolarHBondContact O-ND2 3Å; S371-N374 PolarHBondContact O-N 3.4Å; S372-N374 VanDerWaalsContact C-N 3.33Å; S372-N374 PolarHBondContact O-N 2.96Å; N374-S378 WeakPolarHBondContact O-CB 3.47Å; N374-S378 PolarHBondContact O-N 3.44Å
375S84.4Confident84.6Confident29 Ų2935 Ų3520%0.20318%0.182CC..Hα-helixtrans-68.1-48.6-179.2-58.80000111.1S371 S372 L377 S378 Y379S371-S375 WeakPolarHBondContact O-CB 3.48Å; S371-S375 PolarHBondContact O-N 3.4Å; S371-S375 PolarHBondContact O-OG 2.91Å; S372-S375 PolarHBondContact O-N 3.06Å; S375-L377 VanDerWaalsContact C-N 3.27Å; S375-L377 PolarHBondContact O-N 3.46Å; S375-S378 WeakPolarHBondContact O-CB 3.45Å; S375-S378 PolarHBondContact O-N 3.43Å; S375-S378 VanDerWaalsContact O-N 3.11Å; S375-Y379 WeakPolarHBondContact O-CD2 3.47Å; S375-Y379 PolarHBondContact O-N 3.36Å
376L84.4Confident84.9Confident4 Ų434 Ų342%0.02118%0.176CC..Hα-helixtrans-55.4-44.9175.9-173155.5000111.1L242 S372 Y379 I380 F551L242-L376 HydrophobicContact CD1-CD2 3.91Å; S372-L376 WeakPolarHBondContact O-CB 3.4Å; S372-L376 PolarHBondContact O-N 3.49Å; L376-Y379 PolarHBondContact O-N 3.31Å; L376-I380 HydrophobicContact CD2-CD1 3.42Å; L376-I380 VanDerWaalsContact CD2-CD1 3.42Å; L376-I380 HydrophobicContact CD2-CG1 4.27Å; L376-I380 HydrophobicContact CG-CD1 4.15Å; L376-I380 WeakPolarHBondContact O-CG1 3.47Å; L376-I380 PolarHBondContact O-N 2.99Å; L376-F551 HydrophobicContact CD1-CD1 3.82Å; L376-F551 HydrophobicContact CD1-CD2 3.92Å; L376-F551 HydrophobicContact CD1-CE1 3.76Å; L376-F551 HydrophobicContact CD1-CE2 3.87Å; L376-F551 HydrophobicContact CD1-CG 3.87Å; L376-F551 HydrophobicContact CD1-CZ 3.77Å; L376-F551 HydrophobicContact CD2-CZ 4.45Å
377L80.2Confident85Confident10 Ų1034 Ų345%0.05218%0.176CC..Hα-helixtrans-59.1-50.1175.6174.956000112M246 W327 I373 S375 Y379 I380 V381M246-L377 HydrophobicContact CE-CD1 3.14Å; M246-L377 HydrophobicContact CE-CD2 4.28Å; M246-L377 HydrophobicContact CE-CG 4.32Å; M246-L377 HydrophobicContact CG-CD1 4.29Å; M246-L377 HydrophobicContact CG-CD2 3.97Å; M246-L377 HydrophobicContact SD-CD1 3.73Å; M246-L377 HydrophobicContact SD-CD2 4.49Å; W327-L377 HydrophobicContact CH2-CD2 4.05Å; W327-L377 HydrophobicContact CH2-CG 4.46Å; W327-L377 HydrophobicContact CZ2-CD2 3.5Å; W327-L377 HydrophobicContact CZ2-CG 3.84Å; I373-L377 VanDerWaalsContact O-CB 3.29Å; I373-L377 WeakPolarHBondContact O-CB 3.5Å; I373-L377 PolarHBondContact O-N 3.42Å; I373-L377 VanDerWaalsContact O-N 3.09Å; S375-L377 VanDerWaalsContact C-N 3.27Å; S375-L377 PolarHBondContact O-N 3.46Å; L377-Y379 VanDerWaalsContact C-N 3.35Å; L377-Y379 PolarHBondContact O-N 3.37Å; L377-I380 PolarHBondContact O-N 3.06Å; L377-V381 HydrophobicContact CD1-CG2 3.66Å; L377-V381 WeakPolarHBondContact O-CB 3.33Å; L377-V381 WeakPolarHBondContact O-CG2 3.3Å; L377-V381 PolarHBondContact O-N 3.02Å
378S84.6Confident85.4Confident36 Ų3634 Ų3425%0.25218%0.175SC..Hα-helixtrans-58.7-45.8178.2-170.60000111.5N374 S375 F382N374-S378 WeakPolarHBondContact O-CB 3.47Å; N374-S378 PolarHBondContact O-N 3.44Å; S375-S378 WeakPolarHBondContact O-CB 3.45Å; S375-S378 PolarHBondContact O-N 3.43Å; S375-S378 VanDerWaalsContact O-N 3.11Å; S378-F382 WeakPolarHBondContact O-CA 3.49Å; S378-F382 VanDerWaalsContact O-CB 3.26Å; S378-F382 WeakPolarHBondContact O-CB 3.32Å; S378-F382 PolarHBondContact O-N 3.49Å
379Y86.7Confident85.7Confident47 Ų4729.8 Ų29.818%0.18416%0.164CC..Hα-helixtrans-65.8-43.5-179.5-57.6-36.6000112.8S375 L376 L377 S383 I384 Y543 M546 I547S375-Y379 WeakPolarHBondContact O-CD2 3.47Å; S375-Y379 PolarHBondContact O-N 3.36Å; L376-Y379 PolarHBondContact O-N 3.31Å; L377-Y379 VanDerWaalsContact C-N 3.35Å; L377-Y379 PolarHBondContact O-N 3.37Å; Y379-S383 WeakPolarHBondContact O-CA 3.47Å; Y379-S383 VanDerWaalsContact O-CB 3.31Å; Y379-S383 WeakPolarHBondContact O-CB 3.32Å; Y379-S383 PolarHBondContact O-N 2.66Å; Y379-S383 VanDerWaalsContact O-N 3.16Å; Y379-I384 PolarHBondContact O-N 2.97Å; Y379-Y543 AromaticContact CD1-CD1 3.49Å; Y379-Y543 HydrophobicContact CD1-CD1 3.49Å; Y379-Y543 VanDerWaalsContact CD1-CD1 3.49Å; Y379-Y543 AromaticContact CD1-CE1 3.57Å; Y379-Y543 HydrophobicContact CD1-CE1 3.57Å; Y379-Y543 AromaticContact CE1-CD1 3.96Å; Y379-Y543 HydrophobicContact CE1-CD1 3.96Å; Y379-Y543 AromaticContact CE1-CE1 3.86Å; Y379-Y543 HydrophobicContact CE1-CE1 3.86Å; Y379-Y543 AromaticContact CG-CD1 3.96Å; Y379-Y543 HydrophobicContact CG-CD1 3.96Å; Y379-Y543 HydrophobicContact CG-CE1 4.46Å; Y379-M546 HydrophobicContact CD2-CB 3.99Å; Y379-M546 HydrophobicContact CE1-SD 4.04Å; Y379-M546 HydrophobicContact CE2-CB 3.52Å; Y379-M546 HydrophobicContact CE2-CG 4.26Å; Y379-M546 HydrophobicContact CE2-SD 4.01Å; Y379-M546 VanDerWaalsContact CZ-SD 3.54Å; Y379-M546 PolarHBondContact OH-SD 3.41Å; Y379-M546 VanDerWaalsContact OH-SD 3.36Å; Y379-I547 HydrophobicContact CD2-CG1 4.12Å
380I85.2Confident86Confident45 Ų4530.3 Ų30.323%0.23117%0.167CC..Iπ-helixtrans-68.4-50.1-179.5-67.1180000110.7F235 L376 L377 F385 I547F235-I380 HydrophobicContact CE2-CD1 4.42Å; F235-I380 HydrophobicContact CZ-CD1 4.23Å; L376-I380 HydrophobicContact CD2-CD1 3.42Å; L376-I380 VanDerWaalsContact CD2-CD1 3.42Å; L376-I380 HydrophobicContact CD2-CG1 4.27Å; L376-I380 HydrophobicContact CG-CD1 4.15Å; L376-I380 WeakPolarHBondContact O-CG1 3.47Å; L376-I380 PolarHBondContact O-N 2.99Å; L377-I380 PolarHBondContact O-N 3.06Å; I380-F385 WeakPolarHBondContact O-CB 3.4Å; I380-F385 PolarHBondContact O-N 3.15Å; I380-I547 HydrophobicContact CG1-CD1 4.3Å
381V84.8Confident86.3Confident32 Ų3231.3 Ų31.319%0.19417%0.172CC..Iπ-helixtrans-79-36.8-172179.20000112.4L262 L265 L377 P386L262-V381 HydrophobicContact CD2-CG1 3.89Å; L265-V381 HydrophobicContact CD2-CG1 4.43Å; L265-V381 WeakPolarHBondContact CD2-O 3.4Å; L377-V381 HydrophobicContact CD1-CG2 3.66Å; L377-V381 WeakPolarHBondContact O-CB 3.33Å; L377-V381 WeakPolarHBondContact O-CG2 3.3Å; L377-V381 PolarHBondContact O-N 3.02Å; V381-P386 VanDerWaalsContact O-CD 3.28Å; V381-P386 WeakPolarHBondContact O-CD 3.48Å; V381-P386 WeakPolarHBondContact O-CG 3.46Å
382F84.1Confident86.7Confident23 Ų2331.8 Ų31.810%0.10117%0.172CC..Iπ-helixtrans-106.7-9.9-172.3-53.3-44.7000115L265 R323 W327 S378L265-F382 HydrophobicContact CD1-CD1 4.15Å; L265-F382 HydrophobicContact CD2-CD1 4.46Å; R323-F382 VanDerWaalsContact NH1-CD2 3.29Å; R323-F382 VanDerWaalsContact NH1-CE1 3.31Å; W327-F382 AromaticContact CD1-CE2 3.73Å; W327-F382 AromaticContact CD2-CE2 3.62Å; W327-F382 HydrophobicContact CD2-CE2 3.62Å; W327-F382 AromaticContact CD2-CZ 3.52Å; W327-F382 HydrophobicContact CD2-CZ 3.52Å; W327-F382 AromaticContact CE2-CE2 3.56Å; W327-F382 AromaticContact CE2-CZ 3.78Å; W327-F382 HydrophobicContact CE3-CE2 4.26Å; W327-F382 AromaticContact CE3-CZ 3.67Å; W327-F382 HydrophobicContact CE3-CZ 3.67Å; W327-F382 AromaticContact CG-CE2 3.71Å; W327-F382 HydrophobicContact CG-CE2 3.71Å; W327-F382 AromaticContact CG-CZ 3.94Å; W327-F382 HydrophobicContact CG-CZ 3.94Å; W327-F382 HydrophobicContact CH2-CZ 4.25Å; W327-F382 HydrophobicContact CZ2-CE2 4.12Å; W327-F382 HydrophobicContact CZ2-CZ 4.13Å; W327-F382 HydrophobicContact CZ3-CZ 4.03Å; W327-F382 AromaticContact NE1-CE2 3.63Å; S378-F382 WeakPolarHBondContact O-CA 3.49Å; S378-F382 VanDerWaalsContact O-CB 3.26Å; S378-F382 WeakPolarHBondContact O-CB 3.32Å; S378-F382 PolarHBondContact O-N 3.49Å
383S85.7Confident87.1Confident20 Ų2034.1 Ų34.114%0.1418%0.183CC..Iπ-helixtrans-120.9-54.2178.3-50.90000111.9Y379 T387 Y543Y379-S383 WeakPolarHBondContact O-CA 3.47Å; Y379-S383 VanDerWaalsContact O-CB 3.31Å; Y379-S383 WeakPolarHBondContact O-CB 3.32Å; Y379-S383 PolarHBondContact O-N 2.66Å; Y379-S383 VanDerWaalsContact O-N 3.16Å; S383-T387 WeakPolarHBondContact O-CB 3.28Å; S383-T387 WeakPolarHBondContact O-CG2 3.33Å; S383-T387 PolarHBondContact O-N 3.4Å; S383-T387 PolarHBondContact O-OG1 3.35Å; S383-Y543 PolarHBondContact OG-OH 3.45Å
384I86.8Confident87.5Confident33 Ų3334 Ų3417%0.16918%0.183CC..Iπ-helixtrans-74.7-53-175.7-66.8-176.3000112.4Y379 T387 I388 F540 I547Y379-I384 PolarHBondContact O-N 2.97Å; I384-T387 WeakPolarHBondContact CA-OG1 3.23Å; I384-T387 PolarHBondContact O-N 3.03Å; I384-T387 PolarHBondContact O-OG1 3.21Å; I384-I388 HydrophobicContact CG2-CD1 3.7Å; I384-I388 HydrophobicContact CG2-CG1 4.41Å; I384-I388 WeakPolarHBondContact O-CG1 3.39Å; I384-I388 PolarHBondContact O-N 3.05Å; I384-F540 HydrophobicContact CG1-CE2 4.25Å; I384-I547 HydrophobicContact CD1-CD1 3.11Å; I384-I547 HydrophobicContact CG1-CD1 4.25Å
385F88.8Confident87.9Confident139 Ų13935.6 Ų35.661%0.6119%0.191SC*.Hα-helixtrans-58.1-45.5-179.2178.1-93.5000112.1L265 I380 T387 I388 A389L265-F385 HydrophobicContact CD2-CD1 4.46Å; I380-F385 WeakPolarHBondContact O-CB 3.4Å; I380-F385 PolarHBondContact O-N 3.15Å; F385-T387 PolarHBondContact O-N 3.39Å; F385-I388 PolarHBondContact O-N 3.06Å; F385-A389 WeakPolarHBondContact O-CB 3.34Å; F385-A389 PolarHBondContact O-N 2.89Å
386P88.4Confident88.4Confident3 Ų339 Ų392%0.01921%0.206CC..Hα-helixtrans-67.7-33.6178.5-22.336.8000113.7L265 R269 V381 A389 D390L265-P386 HydrophobicContact CD1-CB 4.46Å; L265-P386 HydrophobicContact CD1-CG 3.71Å; L265-P386 HydrophobicContact CD2-CG 4.13Å; L265-P386 HydrophobicContact CG-CG 4.21Å; R269-P386 VanDerWaalsContact NH1-CB 3.3Å; R269-P386 PolarHBondContact NH1-O 3.06Å; V381-P386 VanDerWaalsContact O-CD 3.28Å; V381-P386 WeakPolarHBondContact O-CD 3.48Å; V381-P386 WeakPolarHBondContact O-CG 3.46Å; P386-A389 PolarHBondContact O-N 3.47Å; P386-D390 WeakPolarHBondContact O-CB 3.31Å; P386-D390 PolarHBondContact O-N 3.13Å
387T88.5Confident88.8Confident9 Ų940.4 Ų40.46%0.05521%0.211CC..Hα-helixtrans-68.9-43.7177.144.40000112.2S383 I384 F385 A389 D390 I391 P536S383-T387 WeakPolarHBondContact O-CB 3.28Å; S383-T387 WeakPolarHBondContact O-CG2 3.33Å; S383-T387 PolarHBondContact O-N 3.4Å; S383-T387 PolarHBondContact O-OG1 3.35Å; I384-T387 WeakPolarHBondContact CA-OG1 3.23Å; I384-T387 PolarHBondContact O-N 3.03Å; I384-T387 PolarHBondContact O-OG1 3.21Å; F385-T387 PolarHBondContact O-N 3.39Å; T387-A389 VanDerWaalsContact C-N 3.31Å; T387-A389 PolarHBondContact O-N 3.21Å; T387-D390 PolarHBondContact O-N 3.27Å; T387-I391 VanDerWaalsContact O-CG1 3.28Å; T387-I391 WeakPolarHBondContact O-CG1 3.22Å; T387-I391 PolarHBondContact O-N 3.32Å; T387-P536 HydrophobicContact CG2-CB 3.43Å; T387-P536 VanDerWaalsContact CG2-CB 3.43Å; T387-P536 HydrophobicContact CG2-CG 3.68Å
388I90.3Very high89.4Confident91 Ų9139.9 Ų39.947%0.46721%0.208SC..Hα-helixtrans-62.7-43.1174-63.9172.5000109.8I384 F385 I391 V392I384-I388 HydrophobicContact CG2-CD1 3.7Å; I384-I388 HydrophobicContact CG2-CG1 4.41Å; I384-I388 WeakPolarHBondContact O-CG1 3.39Å; I384-I388 PolarHBondContact O-N 3.05Å; F385-I388 PolarHBondContact O-N 3.06Å; I388-I391 PolarHBondContact O-N 3.06Å; I388-V392 WeakPolarHBondContact O-CG2 3.35Å; I388-V392 PolarHBondContact O-N 3.27Å
389A91.8Very high89.8Confident24 Ų2441.4 Ų41.420%0.19822%0.216CC..Hα-helixtrans-60.6-44.7175.700000112.1F385 P386 T387 I391 V392 I393F385-A389 WeakPolarHBondContact O-CB 3.34Å; F385-A389 PolarHBondContact O-N 2.89Å; P386-A389 PolarHBondContact O-N 3.47Å; T387-A389 VanDerWaalsContact C-N 3.31Å; T387-A389 PolarHBondContact O-N 3.21Å; A389-I391 VanDerWaalsContact C-N 3.33Å; A389-I391 PolarHBondContact O-N 2.93Å; A389-V392 PolarHBondContact O-N 2.87Å; A389-I393 HydrophobicContact CB-CD1 4.5Å; A389-I393 WeakPolarHBondContact O-CB 3.42Å; A389-I393 WeakPolarHBondContact O-CD1 3.25Å; A389-I393 WeakPolarHBondContact O-CG1 3.21Å; A389-I393 PolarHBondContact O-N 3.23Å
390D90.3Very high90Very high11 Ų1143.9 Ų43.96%0.05924%0.236CC..Hα-helixtrans-59.5-42.4176.8-75.6-8.1000112.1R269 P386 T387 S394 L533R269-D390 WeakPolarHBondContact CD-OD1 3.44Å; R269-D390 IonicContact CZ-OD1 3.3Å; R269-D390 IonicContact CZ-OD2 3.56Å; R269-D390 IonicContact NE-OD1 3.62Å; R269-D390 IonicContact NH1-OD1 3.53Å; R269-D390 PolarHBondContact NH1-OD1 3.43Å; R269-D390 IonicContact NH1-OD2 2.59Å; R269-D390 PolarHBondContact NH1-OD2 3.01Å; P386-D390 WeakPolarHBondContact O-CB 3.31Å; P386-D390 PolarHBondContact O-N 3.13Å; T387-D390 PolarHBondContact O-N 3.27Å; D390-S394 WeakPolarHBondContact O-CB 3.45Å; D390-S394 PolarHBondContact O-N 3.04Å; D390-L533 HydrophobicContact CB-CD2 3.84Å
391I91.5Very high90.1Very high22 Ų2246.2 Ų46.211%0.11325%0.249CC..Hα-helixtrans-63.3-46.7177.5-67.3164.6000110T387 I388 A389 S394 I395 M414 L418 L537T387-I391 VanDerWaalsContact O-CG1 3.28Å; T387-I391 WeakPolarHBondContact O-CG1 3.22Å; T387-I391 PolarHBondContact O-N 3.32Å; I388-I391 PolarHBondContact O-N 3.06Å; A389-I391 VanDerWaalsContact C-N 3.33Å; A389-I391 PolarHBondContact O-N 2.93Å; I391-S394 WeakPolarHBondContact O-CB 3.08Å; I391-S394 PolarHBondContact O-N 3.21Å; I391-I395 HydrophobicContact CG2-CD1 3.86Å; I391-I395 WeakPolarHBondContact O-CD1 3.2Å; I391-I395 VanDerWaalsContact O-CG1 3.27Å; I391-I395 WeakPolarHBondContact O-CG1 3.21Å; I391-I395 PolarHBondContact O-N 3.27Å; I391-M414 HydrophobicContact CG2-CB 4.31Å; I391-M414 HydrophobicContact CG2-CG 4.4Å; I391-L418 HydrophobicContact CD1-CD1 4.39Å; I391-L537 HydrophobicContact CD1-CD1 4.45Å; I391-L537 HydrophobicContact CD1-CD2 4.27Å
392V93.1Very high90.2Very high74 Ų7445.9 Ų45.945%0.44825%0.245SC..Hα-helixtrans-63.9-47.2178.6172.60000111.2I388 A389 S394 I395 I396I388-V392 WeakPolarHBondContact O-CG2 3.35Å; I388-V392 PolarHBondContact O-N 3.27Å; A389-V392 PolarHBondContact O-N 2.87Å; V392-S394 VanDerWaalsContact C-N 3.3Å; V392-S394 PolarHBondContact O-N 2.83Å; V392-I395 PolarHBondContact O-N 3.39Å; V392-I396 HydrophobicContact CG1-CD1 3.79Å; V392-I396 VanDerWaalsContact O-CG1 3.31Å; V392-I396 WeakPolarHBondContact O-CG1 3.44Å; V392-I396 PolarHBondContact O-N 3.1Å
393I93.4Very high90.5Very high59 Ų5947.7 Ų47.730%0.30326%0.256SS..Hα-helixtrans-60-42.3177.6-69.2164.9000110.3R269 V273 A389 I396 Y397R269-I393 HydrophobicContact CB-CD1 4.32Å; V273-I393 HydrophobicContact CG2-CG2 3.49Å; V273-I393 VanDerWaalsContact CG2-CG2 3.49Å; A389-I393 HydrophobicContact CB-CD1 4.5Å; A389-I393 WeakPolarHBondContact O-CB 3.42Å; A389-I393 WeakPolarHBondContact O-CD1 3.25Å; A389-I393 WeakPolarHBondContact O-CG1 3.21Å; A389-I393 PolarHBondContact O-N 3.23Å; I393-I396 PolarHBondContact O-N 2.86Å; I393-Y397 VanDerWaalsContact O-CB 3.22Å; I393-Y397 WeakPolarHBondContact O-CB 3.43Å; I393-Y397 PolarHBondContact O-N 3.37Å
394S91.1Very high90.8Very high0 Ų049.5 Ų49.50%027%0.272CS..Hα-helixtrans-58.7-51.2175.6-175.50000112.4D390 I391 V392 I396 Y397 F398 Y529 L533D390-S394 WeakPolarHBondContact O-CB 3.45Å; D390-S394 PolarHBondContact O-N 3.04Å; I391-S394 WeakPolarHBondContact O-CB 3.08Å; I391-S394 PolarHBondContact O-N 3.21Å; V392-S394 VanDerWaalsContact C-N 3.3Å; V392-S394 PolarHBondContact O-N 2.83Å; S394-I396 VanDerWaalsContact C-N 3.31Å; S394-I396 PolarHBondContact O-N 3.03Å; S394-Y397 PolarHBondContact O-N 3.41Å; S394-F398 WeakPolarHBondContact O-CD2 3.33Å; S394-F398 PolarHBondContact O-N 3.49Å; S394-Y529 VanDerWaalsContact CB-CE1 3.48Å; S394-Y529 WeakPolarHBondContact OG-CE1 3.47Å; S394-L533 VanDerWaalsContact OG-CD1 3.29Å; S394-L533 WeakPolarHBondContact OG-CD1 3.5Å
395I92.6Very high91Very high37 Ų3755.7 Ų55.719%0.1929%0.293CS..Hα-helixtrans-59.1-47.8-178.9-68.4162.9000109.4I391 V392 Y397 F398 V399 I410 F411I391-I395 HydrophobicContact CG2-CD1 3.86Å; I391-I395 WeakPolarHBondContact O-CD1 3.2Å; I391-I395 VanDerWaalsContact O-CG1 3.27Å; I391-I395 WeakPolarHBondContact O-CG1 3.21Å; I391-I395 PolarHBondContact O-N 3.27Å; V392-I395 PolarHBondContact O-N 3.39Å; I395-Y397 PolarHBondContact O-N 3.01Å; I395-F398 PolarHBondContact O-N 2.92Å; I395-V399 HydrophobicContact CG2-CG2 4.32Å; I395-V399 WeakPolarHBondContact O-CB 3.13Å; I395-V399 WeakPolarHBondContact O-CG2 3.36Å; I395-V399 PolarHBondContact O-N 3.36Å; I395-I410 HydrophobicContact CG1-CG2 4.13Å; I395-F411 HydrophobicContact CD1-CB 4.14Å; I395-F411 HydrophobicContact CD1-CD2 3.97Å
396I93.7Very high91Very high101 Ų10149 Ų4952%0.51826%0.264SS..Hα-helixtrans-58.6-49.5177.4-65.9167.8000110.1V392 I393 S394 F398 V399 T400V392-I396 HydrophobicContact CG1-CD1 3.79Å; V392-I396 VanDerWaalsContact O-CG1 3.31Å; V392-I396 WeakPolarHBondContact O-CG1 3.44Å; V392-I396 PolarHBondContact O-N 3.1Å; I393-I396 PolarHBondContact O-N 2.86Å; S394-I396 VanDerWaalsContact C-N 3.31Å; S394-I396 PolarHBondContact O-N 3.03Å; I396-F398 PolarHBondContact O-N 3.38Å; I396-V399 PolarHBondContact O-N 3.43Å; I396-T400 HydrophobicContact CG2-CG2 4.48Å; I396-T400 WeakPolarHBondContact O-CG2 3.43Å; I396-T400 PolarHBondContact O-N 3.33Å; I396-T400 PolarHBondContact O-OG1 2.91Å; I396-T400 VanDerWaalsContact O-OG1 3.11Å
397Y93.3Very high91.2Very high32 Ų3249 Ų4913%0.12527%0.265CS..Hα-helixtrans-60.7-44.7-177.7175.8-91.7000113.3V273 I277 I393 S394 I395 T400 N401 F402 L525V273-Y397 HydrophobicContact CG1-CD2 4.2Å; V273-Y397 HydrophobicContact CG1-CE2 4.44Å; I277-Y397 HydrophobicContact CD1-CE2 3.66Å; I277-Y397 HydrophobicContact CG1-CE2 4.34Å; I277-Y397 WeakPolarHBondContact CG1-OH 3.47Å; I393-Y397 VanDerWaalsContact O-CB 3.22Å; I393-Y397 WeakPolarHBondContact O-CB 3.43Å; I393-Y397 PolarHBondContact O-N 3.37Å; S394-Y397 PolarHBondContact O-N 3.41Å; I395-Y397 PolarHBondContact O-N 3.01Å; Y397-T400 PolarHBondContact O-N 2.99Å; Y397-T400 PolarHBondContact O-OG1 3Å; Y397-T400 VanDerWaalsContact O-OG1 3.1Å; Y397-N401 VanDerWaalsContact CD2-ND2 3.32Å; Y397-N401 WeakPolarHBondContact CD2-ND2 3.48Å; Y397-N401 VanDerWaalsContact CE2-ND2 3.32Å; Y397-N401 WeakPolarHBondContact CE2-ND2 3.44Å; Y397-N401 WeakPolarHBondContact O-CB 3.48Å; Y397-N401 PolarHBondContact O-N 3.44Å; Y397-N401 PolarHBondContact O-ND2 3.12Å; Y397-F402 HydrophobicContact CE1-CE2 4.46Å; Y397-L525 HydrophobicContact CE1-CD2 3.93Å
398F92.4Very high91.4Very high0 Ų052.5 Ų52.50%028%0.283CS..Hα-helixtrans-74.3-31.8179.7-83.3-76000113S394 I395 I396 F402 N403 F406 I410 L525 F526 Y529S394-F398 WeakPolarHBondContact O-CD2 3.33Å; S394-F398 PolarHBondContact O-N 3.49Å; I395-F398 PolarHBondContact O-N 2.92Å; I396-F398 PolarHBondContact O-N 3.38Å; F398-F402 AromaticContact CD1-CD2 3.62Å; F398-F402 HydrophobicContact CD1-CD2 3.62Å; F398-F402 AromaticContact CD1-CE2 3.95Å; F398-F402 HydrophobicContact CD1-CE2 3.95Å; F398-F402 HydrophobicContact CD1-CG 4.05Å; F398-F402 HydrophobicContact CE1-CD2 4.01Å; F398-F402 AromaticContact CE1-CE2 3.84Å; F398-F402 HydrophobicContact CE1-CE2 3.84Å; F398-F402 HydrophobicContact CE1-CZ 4.2Å; F398-F402 WeakPolarHBondContact O-CB 3.25Å; F398-F402 PolarHBondContact O-N 2.75Å; F398-F402 VanDerWaalsContact O-N 3.14Å; F398-N403 PolarHBondContact O-N 3.47Å; F398-F406 HydrophobicContact CB-CB 4.22Å; F398-F406 HydrophobicContact CD1-CB 4.27Å; F398-I410 HydrophobicContact CB-CD1 4.08Å; F398-I410 HydrophobicContact CD1-CD1 4.4Å; F398-I410 HydrophobicContact CD2-CD1 3.23Å; F398-I410 HydrophobicContact CE2-CD1 3.69Å; F398-I410 HydrophobicContact CG-CD1 3.64Å; F398-I410 HydrophobicContact CZ-CD1 4.44Å; F398-L525 HydrophobicContact CE1-CD2 4.43Å; F398-F526 HydrophobicContact CD1-CD2 4.38Å; F398-F526 HydrophobicContact CE1-CB 4.45Å; F398-F526 AromaticContact CE1-CD2 3.71Å; F398-F526 HydrophobicContact CE1-CD2 3.71Å; F398-F526 HydrophobicContact CZ-CD2 4.02Å; F398-Y529 AromaticContact CE2-CD1 3.77Å; F398-Y529 HydrophobicContact CE2-CD1 3.77Å; F398-Y529 HydrophobicContact CE2-CD2 4.32Å; F398-Y529 HydrophobicContact CE2-CE1 4.27Å; F398-Y529 AromaticContact CE2-CG 3.81Å; F398-Y529 HydrophobicContact CE2-CG 3.81Å; F398-Y529 HydrophobicContact CZ-CD1 4.49Å; F398-Y529 HydrophobicContact CZ-CG 4.14Å
399V93.3Very high91.5Very high68 Ų6849.9 Ų49.941%0.41227%0.269SS..Hα-helixtrans-65.9-41.1172.8172.20000110.7I395 I396I395-V399 HydrophobicContact CG2-CG2 4.32Å; I395-V399 WeakPolarHBondContact O-CB 3.13Å; I395-V399 WeakPolarHBondContact O-CG2 3.36Å; I395-V399 PolarHBondContact O-N 3.36Å; I396-V399 PolarHBondContact O-N 3.43Å
400T91.1Very high91.5Very high99 Ų9948.8 Ų48.861%0.60726%0.26SS*.Hα-helixtrans-78.9-39.5-17757.30000114I396 Y397I396-T400 HydrophobicContact CG2-CG2 4.48Å; I396-T400 WeakPolarHBondContact O-CG2 3.43Å; I396-T400 PolarHBondContact O-N 3.33Å; I396-T400 PolarHBondContact O-OG1 2.91Å; I396-T400 VanDerWaalsContact O-OG1 3.11Å; Y397-T400 PolarHBondContact O-N 2.99Å; Y397-T400 PolarHBondContact O-OG1 3Å; Y397-T400 VanDerWaalsContact O-OG1 3.1Å
401N87.9Confident91.6Very high93 Ų9353.4 Ų53.450%0.49728%0.28SS..Hα-helixtrans-94.5-22.9-173-69-86.9000114.1Y397Y397-N401 VanDerWaalsContact CD2-ND2 3.32Å; Y397-N401 WeakPolarHBondContact CD2-ND2 3.48Å; Y397-N401 VanDerWaalsContact CE2-ND2 3.32Å; Y397-N401 WeakPolarHBondContact CE2-ND2 3.44Å; Y397-N401 WeakPolarHBondContact O-CB 3.48Å; Y397-N401 PolarHBondContact O-N 3.44Å; Y397-N401 PolarHBondContact O-ND2 3.12Å
402F87.2Confident91.7Very high26 Ų2656.2 Ų56.211%0.11430%0.298CS..THydrogen-bonded Turntrans-114.9-91.2-179.1-72.6-110.2000110.6Y397 F398 F406 F518 D522 L525Y397-F402 HydrophobicContact CE1-CE2 4.46Å; F398-F402 AromaticContact CD1-CD2 3.62Å; F398-F402 HydrophobicContact CD1-CD2 3.62Å; F398-F402 AromaticContact CD1-CE2 3.95Å; F398-F402 HydrophobicContact CD1-CE2 3.95Å; F398-F402 HydrophobicContact CD1-CG 4.05Å; F398-F402 HydrophobicContact CE1-CD2 4.01Å; F398-F402 AromaticContact CE1-CE2 3.84Å; F398-F402 HydrophobicContact CE1-CE2 3.84Å; F398-F402 HydrophobicContact CE1-CZ 4.2Å; F398-F402 WeakPolarHBondContact O-CB 3.25Å; F398-F402 PolarHBondContact O-N 2.75Å; F398-F402 VanDerWaalsContact O-N 3.14Å; F402-F406 HydrophobicContact CB-CB 4.45Å; F402-F406 HydrophobicContact CB-CD2 3.75Å; F402-F406 HydrophobicContact CB-CE2 4.31Å; F402-F406 HydrophobicContact CB-CG 4.23Å; F402-F406 HydrophobicContact CD1-CD2 4.32Å; F402-F406 HydrophobicContact CD1-CE2 4.26Å; F402-F406 HydrophobicContact CD1-CZ 4.47Å; F402-F406 HydrophobicContact CG-CD2 4.44Å; F402-F518 HydrophobicContact CB-CZ 4.04Å; F402-F518 HydrophobicContact CD1-CD2 4.15Å; F402-F518 HydrophobicContact CD1-CE1 4.1Å; F402-F518 AromaticContact CD1-CE2 3.64Å; F402-F518 HydrophobicContact CD1-CE2 3.64Å; F402-F518 AromaticContact CD1-CZ 3.62Å; F402-F518 HydrophobicContact CD1-CZ 3.62Å; F402-F518 HydrophobicContact CE1-CD2 4.38Å; F402-F518 HydrophobicContact CE1-CE2 4.31Å; F402-F518 HydrophobicContact CE1-CZ 4.48Å; F402-F518 HydrophobicContact CG-CZ 4.18Å; F402-D522 HydrophobicContact CE1-CB 3.82Å; F402-D522 HydrophobicContact CZ-CB 3.94Å; F402-D522 WeakPolarHBondContact CZ-OD1 3.15Å; F402-L525 HydrophobicContact CE2-CD2 3.41Å; F402-L525 VanDerWaalsContact CE2-CD2 3.41Å; F402-L525 HydrophobicContact CZ-CD2 3.47Å; F402-L525 VanDerWaalsContact CZ-CD2 3.47Å
403N88.9Confident91.7Very high60 Ų6053.5 Ų53.532%0.32128%0.282SS..  trans-163.1152.4-177.1-168-29.4000108.7F398 W405 F406F398-N403 PolarHBondContact O-N 3.47Å; N403-W405 PolarHBondContact O-N 3Å; N403-W405 VanDerWaalsContact O-N 3.11Å; N403-W405 PolarHBondContact OD1-N 2.88Å; N403-F406 HydrophobicContact CB-CD2 4.1Å; N403-F406 PolarHBondContact O-N 3.38Å
404A91.6Very high91.6Very high59 Ų5951.3 Ų51.349%0.48827%0.27SS..Hα-helixtrans-52.1-32.2174.900000113.5F406 G407 L408A404-F406 PolarHBondContact O-N 3.49Å; A404-G407 PolarHBondContact O-N 3.31Å; A404-L408 PolarHBondContact O-N 3.46Å
405W91.1Very high91.6Very high162 Ų16254.4 Ų54.461%0.61429%0.29SS*.Hα-helixtrans-60.9-38.5176.6-74.7106.1000113.6N403 L408 I409 L508N403-W405 PolarHBondContact O-N 3Å; N403-W405 VanDerWaalsContact O-N 3.11Å; N403-W405 PolarHBondContact OD1-N 2.88Å; W405-L408 HydrophobicContact CE3-CD2 3.96Å; W405-L408 HydrophobicContact CZ3-CD2 3.89Å; W405-L408 PolarHBondContact O-N 2.9Å; W405-I409 WeakPolarHBondContact O-CG1 3.5Å; W405-I409 PolarHBondContact O-N 3.23Å; W405-L508 HydrophobicContact CB-CD2 4.12Å
406F90.6Very high91.6Very high0 Ų056.6 Ų56.60%030%0.301CS..Hα-helixtrans-67.5-42.2176.4-73.2-84.5000111.4F398 F402 N403 A404 L408 I409 I410 L508 C509 F512 F518 F526F398-F406 HydrophobicContact CB-CB 4.22Å; F398-F406 HydrophobicContact CD1-CB 4.27Å; F402-F406 HydrophobicContact CB-CB 4.45Å; F402-F406 HydrophobicContact CB-CD2 3.75Å; F402-F406 HydrophobicContact CB-CE2 4.31Å; F402-F406 HydrophobicContact CB-CG 4.23Å; F402-F406 HydrophobicContact CD1-CD2 4.32Å; F402-F406 HydrophobicContact CD1-CE2 4.26Å; F402-F406 HydrophobicContact CD1-CZ 4.47Å; F402-F406 HydrophobicContact CG-CD2 4.44Å; N403-F406 HydrophobicContact CB-CD2 4.1Å; N403-F406 PolarHBondContact O-N 3.38Å; A404-F406 PolarHBondContact O-N 3.49Å; F406-L408 VanDerWaalsContact C-N 3.31Å; F406-L408 PolarHBondContact O-N 3.26Å; F406-I409 PolarHBondContact O-N 2.89Å; F406-I410 WeakPolarHBondContact O-CG1 3.25Å; F406-I410 PolarHBondContact O-N 3.5Å; F406-L508 HydrophobicContact CD1-CD2 4.45Å; F406-L508 HydrophobicContact CD2-CD2 4.33Å; F406-L508 HydrophobicContact CE1-CB 4.35Å; F406-L508 HydrophobicContact CE1-CD2 4.11Å; F406-L508 HydrophobicContact CE1-CG 4.27Å; F406-L508 HydrophobicContact CE2-CD2 3.96Å; F406-L508 HydrophobicContact CE2-CG 4.2Å; F406-L508 HydrophobicContact CZ-CB 4.24Å; F406-L508 HydrophobicContact CZ-CD2 3.85Å; F406-L508 HydrophobicContact CZ-CG 3.79Å; F406-C509 HydrophobicContact CE1-CB 3.97Å; F406-C509 HydrophobicContact CZ-CB 4.12Å; F406-F512 AromaticContact CE2-CD2 3.9Å; F406-F512 HydrophobicContact CE2-CD2 3.9Å; F406-F512 AromaticContact CE2-CE2 4Å; F406-F512 HydrophobicContact CE2-CE2 4Å; F406-F512 HydrophobicContact CZ-CD2 4.01Å; F406-F512 HydrophobicContact CZ-CE2 4.42Å; F406-F518 AromaticContact CE2-CE2 3.8Å; F406-F518 HydrophobicContact CE2-CE2 3.8Å; F406-F518 HydrophobicContact CE2-CZ 4.38Å; F406-F518 HydrophobicContact CZ-CE2 4.1Å; F406-F526 AromaticContact CD1-CD2 3.93Å; F406-F526 HydrophobicContact CD1-CD2 3.93Å; F406-F526 AromaticContact CD1-CE2 3.75Å; F406-F526 HydrophobicContact CD1-CE2 3.75Å; F406-F526 HydrophobicContact CD1-CZ 4.46Å; F406-F526 HydrophobicContact CE1-CD2 4.35Å; F406-F526 HydrophobicContact CE1-CE2 4.38Å
407G90.8Very high91.5Very high3 Ų351.8 Ų51.83%0.03128%0.276CS..Hα-helixtrans-59.3-41.2173.100000112.6A404 I410 F411A404-G407 PolarHBondContact O-N 3.31Å; G407-I410 PolarHBondContact O-N 2.82Å; G407-F411 VanDerWaalsContact O-CB 3.32Å; G407-F411 WeakPolarHBondContact O-CB 3.26Å; G407-F411 PolarHBondContact O-N 3.43Å
408L93.1Very high91.3Very high82 Ų8252.2 Ų52.243%0.42928%0.28SS..Hα-helixtrans-64.8-45.1176.9-175.667.6000112.1A404 W405 F406 I410 F411 V412A404-L408 PolarHBondContact O-N 3.46Å; W405-L408 HydrophobicContact CE3-CD2 3.96Å; W405-L408 HydrophobicContact CZ3-CD2 3.89Å; W405-L408 PolarHBondContact O-N 2.9Å; F406-L408 VanDerWaalsContact C-N 3.31Å; F406-L408 PolarHBondContact O-N 3.26Å; L408-I410 VanDerWaalsContact C-N 3.33Å; L408-I410 PolarHBondContact O-N 2.98Å; L408-F411 PolarHBondContact O-N 3.11Å; L408-V412 HydrophobicContact CD1-CG2 4.19Å; L408-V412 HydrophobicContact CG-CG2 4.35Å; L408-V412 WeakPolarHBondContact O-CB 3.43Å; L408-V412 VanDerWaalsContact O-CG2 3.3Å; L408-V412 WeakPolarHBondContact O-CG2 3.49Å; L408-V412 PolarHBondContact O-N 3.32Å
409I92.6Very high91.2Very high35 Ų3554.2 Ų54.218%0.17930%0.297CS..Hα-helixtrans-58.3-47.5176.7-69.7166.6000110.3W405 F406 V412 C413 L508W405-I409 WeakPolarHBondContact O-CG1 3.5Å; W405-I409 PolarHBondContact O-N 3.23Å; F406-I409 PolarHBondContact O-N 2.89Å; I409-V412 PolarHBondContact O-N 2.91Å; I409-C413 WeakPolarHBondContact O-CB 3.31Å; I409-C413 PolarHBondContact O-N 2.97Å; I409-L508 HydrophobicContact CD1-CD2 3.83Å
410I91.7Very high91.1Very high2 Ų253.6 Ų53.61%0.0129%0.291CS..Hα-helixtrans-62.6-47178.3-66.7168.7000110.3I395 F398 F406 G407 L408 V412 C413 M414 F526 L533I395-I410 HydrophobicContact CG1-CG2 4.13Å; F398-I410 HydrophobicContact CB-CD1 4.08Å; F398-I410 HydrophobicContact CD1-CD1 4.4Å; F398-I410 HydrophobicContact CD2-CD1 3.23Å; F398-I410 HydrophobicContact CE2-CD1 3.69Å; F398-I410 HydrophobicContact CG-CD1 3.64Å; F398-I410 HydrophobicContact CZ-CD1 4.44Å; F406-I410 WeakPolarHBondContact O-CG1 3.25Å; F406-I410 PolarHBondContact O-N 3.5Å; G407-I410 PolarHBondContact O-N 2.82Å; L408-I410 VanDerWaalsContact C-N 3.33Å; L408-I410 PolarHBondContact O-N 2.98Å; I410-V412 PolarHBondContact O-N 3.27Å; I410-C413 PolarHBondContact O-N 3.28Å; I410-M414 HydrophobicContact CG2-CG 4.08Å; I410-M414 WeakPolarHBondContact O-CB 3.49Å; I410-M414 WeakPolarHBondContact O-CG 3.37Å; I410-M414 PolarHBondContact O-N 3.06Å; I410-F526 HydrophobicContact CD1-CE2 4.44Å; I410-L533 HydrophobicContact CG2-CD1 4.29Å
411F93.1Very high91Very high108 Ų10848.9 Ų48.947%0.47426%0.263SS..Hα-helixtrans-59.2-48179.2175.7-101.5000112.4I395 G407 L408 T415I395-F411 HydrophobicContact CD1-CB 4.14Å; I395-F411 HydrophobicContact CD1-CD2 3.97Å; G407-F411 VanDerWaalsContact O-CB 3.32Å; G407-F411 WeakPolarHBondContact O-CB 3.26Å; G407-F411 PolarHBondContact O-N 3.43Å; L408-F411 PolarHBondContact O-N 3.11Å; F411-T415 VanDerWaalsContact O-CB 3.22Å; F411-T415 WeakPolarHBondContact O-CB 3.34Å; F411-T415 PolarHBondContact O-N 2.79Å; F411-T415 PolarHBondContact O-OG1 3.45Å
412V93.5Very high90.9Very high81 Ų8147 Ų4749%0.49125%0.252SS..Hα-helixtrans-64.1-47.4178.8171.90000110.5L408 I409 I410 M414 T415 L416L408-V412 HydrophobicContact CD1-CG2 4.19Å; L408-V412 HydrophobicContact CG-CG2 4.35Å; L408-V412 WeakPolarHBondContact O-CB 3.43Å; L408-V412 VanDerWaalsContact O-CG2 3.3Å; L408-V412 WeakPolarHBondContact O-CG2 3.49Å; L408-V412 PolarHBondContact O-N 3.32Å; I409-V412 PolarHBondContact O-N 2.91Å; I410-V412 PolarHBondContact O-N 3.27Å; V412-M414 PolarHBondContact O-N 3.17Å; V412-T415 PolarHBondContact O-N 2.84Å; V412-L416 WeakPolarHBondContact O-CB 3.36Å; V412-L416 PolarHBondContact O-N 2.89Å
413C92.4Very high91Very high17 Ų1750.7 Ų50.712%0.11527%0.272CS..Hα-helixtrans-60.2-47.4179.4-174.50000111.7I409 I410 Y417I409-C413 WeakPolarHBondContact O-CB 3.31Å; I409-C413 PolarHBondContact O-N 2.97Å; I410-C413 PolarHBondContact O-N 3.28Å; C413-Y417 WeakPolarHBondContact O-CB 3.31Å; C413-Y417 PolarHBondContact O-N 2.93Å
414M91.3Very high91Very high12 Ų1249.1 Ų49.16%0.05926%0.263CS..Hα-helixtrans-69.7-39.7-178.4-65.5-58.6167.900112.2I391 I410 V412 Y417 L418 L533 L537I391-M414 HydrophobicContact CG2-CB 4.31Å; I391-M414 HydrophobicContact CG2-CG 4.4Å; I410-M414 HydrophobicContact CG2-CG 4.08Å; I410-M414 WeakPolarHBondContact O-CB 3.49Å; I410-M414 WeakPolarHBondContact O-CG 3.37Å; I410-M414 PolarHBondContact O-N 3.06Å; V412-M414 PolarHBondContact O-N 3.17Å; M414-Y417 PolarHBondContact O-N 3.28Å; M414-L418 WeakPolarHBondContact O-CB 3.4Å; M414-L418 WeakPolarHBondContact O-CG 3.45Å; M414-L418 PolarHBondContact O-N 2.89Å; M414-L533 HydrophobicContact CE-CB 3.49Å; M414-L533 VanDerWaalsContact CE-CB 3.49Å; M414-L533 HydrophobicContact CE-CD1 3.78Å; M414-L533 HydrophobicContact CE-CG 4.3Å; M414-L537 HydrophobicContact CE-CD1 4.32Å; M414-L537 HydrophobicContact SD-CD1 3.24Å; M414-L537 WeakPolarHBondContact SD-CD1 3.36Å
415T91.2Very high90.7Very high66 Ų6646.6 Ų46.641%0.40524%0.242SC..Hα-helixtrans-65.4-46.5176.9-57.60000111F411 V412 Y417 L418 A419F411-T415 VanDerWaalsContact O-CB 3.22Å; F411-T415 WeakPolarHBondContact O-CB 3.34Å; F411-T415 PolarHBondContact O-N 2.79Å; F411-T415 PolarHBondContact O-OG1 3.45Å; V412-T415 PolarHBondContact O-N 2.84Å; T415-Y417 VanDerWaalsContact C-N 3.34Å; T415-Y417 PolarHBondContact O-N 3.26Å; T415-L418 PolarHBondContact O-N 3.45Å; T415-A419 VanDerWaalsContact O-CB 3.32Å; T415-A419 WeakPolarHBondContact O-CB 3.48Å; T415-A419 PolarHBondContact O-N 3.27Å
416L92.5Very high90.3Very high82 Ų8244.7 Ų44.743%0.42924%0.24SC..Hα-helixtrans-62.4-43177.2-174.966.9000111.2V412 L420 I497V412-L416 WeakPolarHBondContact O-CB 3.36Å; V412-L416 PolarHBondContact O-N 2.89Å; L416-L420 HydrophobicContact CD1-CD1 3.83Å; L416-L420 HydrophobicContact CD1-CG 4.21Å; L416-L420 HydrophobicContact CG-CD1 3.92Å; L416-L420 WeakPolarHBondContact O-CB 3.41Å; L416-L420 WeakPolarHBondContact O-CG 3.43Å; L416-L420 PolarHBondContact O-N 3.03Å; L416-I497 HydrophobicContact CD2-CG1 4.39Å; L416-I497 HydrophobicContact CD2-CG2 4.29Å
417Y91.6Very high90.1Very high1 Ų150.2 Ų50.20%0.00426%0.26CS..Hα-helixtrans-58.1-51.6175.8-177.5-80.2000111.7C413 M414 T415 T421 Q494 I498 Y534 L537 N538C413-Y417 WeakPolarHBondContact O-CB 3.31Å; C413-Y417 PolarHBondContact O-N 2.93Å; M414-Y417 PolarHBondContact O-N 3.28Å; T415-Y417 VanDerWaalsContact C-N 3.34Å; T415-Y417 PolarHBondContact O-N 3.26Å; Y417-T421 WeakPolarHBondContact O-CB 3.47Å; Y417-T421 PolarHBondContact O-N 2.9Å; Y417-T421 PolarHBondContact O-OG1 3.38Å; Y417-Q494 HydrophobicContact CD2-CB 4.33Å; Y417-Q494 HydrophobicContact CD2-CG 4.19Å; Y417-Q494 HydrophobicContact CE2-CB 3.55Å; Y417-Q494 HydrophobicContact CE2-CG 3.46Å; Y417-Q494 VanDerWaalsContact CE2-CG 3.46Å; Y417-Q494 PolarHBondContact OH-NE2 3.04Å; Y417-Q494 VanDerWaalsContact OH-NE2 3.1Å; Y417-Q494 PolarHBondContact OH-OE1 3.04Å; Y417-I498 HydrophobicContact CD2-CD1 3.93Å; Y417-I498 HydrophobicContact CD2-CG1 4.03Å; Y417-I498 HydrophobicContact CE2-CD1 3.56Å; Y417-I498 HydrophobicContact CE2-CG1 4.18Å; Y417-Y534 HydrophobicContact CE2-CD2 4.08Å; Y417-Y534 AromaticContact CE2-CE2 3.87Å; Y417-Y534 HydrophobicContact CE2-CE2 3.87Å; Y417-Y534 AromaticContact CZ-CE2 3.99Å; Y417-Y534 WeakPolarHBondContact OH-CE2 3.28Å; Y417-L537 HydrophobicContact CD1-CB 4.09Å; Y417-L537 HydrophobicContact CD1-CD1 4.35Å; Y417-L537 HydrophobicContact CD1-CD2 4.22Å; Y417-L537 HydrophobicContact CD1-CG 4.48Å; Y417-L537 HydrophobicContact CE1-CB 3.55Å; Y417-L537 HydrophobicContact CE1-CD2 4.31Å; Y417-L537 HydrophobicContact CE1-CG 4.39Å; Y417-L537 PolarHBondContact OH-O 2.98Å; Y417-N538 VanDerWaalsContact OH-CA 3.29Å; Y417-N538 WeakPolarHBondContact OH-CA 3.39Å; Y417-N538 PolarHBondContact OH-N 3.38Å
418L89.9Confident89.9Confident40 Ų4050.8 Ų50.821%0.20926%0.262CS..Hα-helixtrans-63.2-47-179.1-77171.3000111.6I391 M414 T415 T421 I422 L537 F540I391-L418 HydrophobicContact CD1-CD1 4.39Å; M414-L418 WeakPolarHBondContact O-CB 3.4Å; M414-L418 WeakPolarHBondContact O-CG 3.45Å; M414-L418 PolarHBondContact O-N 2.89Å; T415-L418 PolarHBondContact O-N 3.45Å; L418-T421 PolarHBondContact O-N 3.23Å; L418-I422 VanDerWaalsContact O-CG1 3.3Å; L418-I422 WeakPolarHBondContact O-CG1 3.1Å; L418-I422 PolarHBondContact O-N 2.73Å; L418-L537 HydrophobicContact CD1-CD2 4.48Å; L418-L537 HydrophobicContact CD2-CD2 3.45Å; L418-L537 VanDerWaalsContact CD2-CD2 3.45Å; L418-L537 HydrophobicContact CG-CD2 3.96Å; L418-F540 HydrophobicContact CD2-CD1 3.8Å; L418-F540 HydrophobicContact CD2-CD2 4.22Å; L418-F540 HydrophobicContact CD2-CE1 3.86Å; L418-F540 HydrophobicContact CD2-CE2 4.27Å; L418-F540 HydrophobicContact CD2-CG 3.99Å; L418-F540 HydrophobicContact CD2-CZ 4.09Å
419A90.3Very high89.4Confident43 Ų4349.5 Ų49.536%0.35526%0.257SS..Hα-helixtrans-61.1-51.2-178.800000111.8T415 T421 I422 I423T415-A419 VanDerWaalsContact O-CB 3.32Å; T415-A419 WeakPolarHBondContact O-CB 3.48Å; T415-A419 PolarHBondContact O-N 3.27Å; A419-T421 VanDerWaalsContact C-N 3.33Å; A419-T421 PolarHBondContact O-N 3.05Å; A419-I422 PolarHBondContact O-N 2.58Å; A419-I423 WeakPolarHBondContact O-CD1 3.31Å; A419-I423 VanDerWaalsContact O-CG1 3.26Å; A419-I423 WeakPolarHBondContact O-CG1 3.49Å; A419-I423 PolarHBondContact O-N 3.01Å
420L90.5Very high89Confident54 Ų5452.9 Ų52.928%0.28327%0.271SS..Hα-helixtrans-65.7-37.2179.3-72.1175.7000112L416 I422 I423 I424 T493 I497L416-L420 HydrophobicContact CD1-CD1 3.83Å; L416-L420 HydrophobicContact CD1-CG 4.21Å; L416-L420 HydrophobicContact CG-CD1 3.92Å; L416-L420 WeakPolarHBondContact O-CB 3.41Å; L416-L420 WeakPolarHBondContact O-CG 3.43Å; L416-L420 PolarHBondContact O-N 3.03Å; L420-I422 PolarHBondContact O-N 2.81Å; L420-I423 PolarHBondContact O-N 3.49Å; L420-I424 WeakPolarHBondContact O-CB 3.44Å; L420-I424 VanDerWaalsContact O-CG1 3.26Å; L420-I424 WeakPolarHBondContact O-CG1 3.29Å; L420-I424 PolarHBondContact O-N 3Å; L420-T493 HydrophobicContact CD1-CG2 4.47Å; L420-I497 HydrophobicContact CB-CD1 4.29Å; L420-I497 HydrophobicContact CD1-CD1 3.52Å; L420-I497 HydrophobicContact CD1-CG1 4.34Å
421T89.6Confident88.8Confident1 Ų155.6 Ų55.61%0.00628%0.281CS..Hα-helixtrans-60.3-45.9175.5-62.30000111.2Y417 L418 A419 T425 L490 Q494Y417-T421 WeakPolarHBondContact O-CB 3.47Å; Y417-T421 PolarHBondContact O-N 2.9Å; Y417-T421 PolarHBondContact O-OG1 3.38Å; L418-T421 PolarHBondContact O-N 3.23Å; A419-T421 VanDerWaalsContact C-N 3.33Å; A419-T421 PolarHBondContact O-N 3.05Å; T421-T425 WeakPolarHBondContact O-CB 3.35Å; T421-T425 PolarHBondContact O-N 3.32Å; T421-T425 PolarHBondContact O-OG1 3.34Å; T421-L490 HydrophobicContact CG2-CD1 4.42Å; T421-Q494 PolarHBondContact OG1-NE2 3.46Å
422I85.9Confident88.1Confident54 Ų5455 Ų5528%0.27728%0.276SS..Hα-helixtrans-64.4-50.1179-67.6166.5000110.4L418 A419 L420 I424 T425 E426 F540L418-I422 VanDerWaalsContact O-CG1 3.3Å; L418-I422 WeakPolarHBondContact O-CG1 3.1Å; L418-I422 PolarHBondContact O-N 2.73Å; A419-I422 PolarHBondContact O-N 2.58Å; L420-I422 PolarHBondContact O-N 2.81Å; I422-I424 PolarHBondContact O-N 2.71Å; I422-T425 PolarHBondContact O-N 3.42Å; I422-E426 WeakPolarHBondContact O-CB 3.47Å; I422-E426 PolarHBondContact O-N 3.07Å; I422-F540 HydrophobicContact CD1-CE1 4.31Å; I422-F540 HydrophobicContact CG1-CE1 4.37Å
423I88.2Confident87.5Confident103 Ų10357 Ų5753%0.52828%0.275SS..Hα-helixtrans-58.2-49.5-178.5-67.8165000111.3A419 L420 E426 W427A419-I423 WeakPolarHBondContact O-CD1 3.31Å; A419-I423 VanDerWaalsContact O-CG1 3.26Å; A419-I423 WeakPolarHBondContact O-CG1 3.49Å; A419-I423 PolarHBondContact O-N 3.01Å; L420-I423 PolarHBondContact O-N 3.49Å; I423-E426 PolarHBondContact O-N 3.21Å; I423-W427 WeakPolarHBondContact O-CB 3.01Å; I423-W427 PolarHBondContact O-N 3.03Å
424I88.8Confident87.1Confident27 Ų2758.9 Ų58.914%0.13828%0.284CS..Hα-helixtrans-67.6-38.8-179.6-65.2169.7000110.6L420 I422 W427 R428 L490 T493L420-I424 WeakPolarHBondContact O-CB 3.44Å; L420-I424 VanDerWaalsContact O-CG1 3.26Å; L420-I424 WeakPolarHBondContact O-CG1 3.29Å; L420-I424 PolarHBondContact O-N 3Å; I422-I424 PolarHBondContact O-N 2.71Å; I424-W427 PolarHBondContact O-N 3.24Å; I424-R428 VanDerWaalsContact O-CB 3.25Å; I424-R428 WeakPolarHBondContact O-CB 3.47Å; I424-R428 PolarHBondContact O-N 3.18Å; I424-L490 HydrophobicContact CB-CD1 3.87Å; I424-L490 HydrophobicContact CD1-CD1 4.21Å; I424-L490 HydrophobicContact CG2-CB 3.97Å; I424-L490 HydrophobicContact CG2-CD1 3.75Å; I424-L490 HydrophobicContact CG2-CG 4.4Å; I424-T493 HydrophobicContact CD1-CG2 4.01Å
425T85.3Confident86.9Confident6 Ų659.4 Ų59.44%0.03729%0.286CS..Hα-helixtrans-63.4-43.4178.2-62.90000111.3T421 I422 R428 T429 Y544 R545T421-T425 WeakPolarHBondContact O-CB 3.35Å; T421-T425 PolarHBondContact O-N 3.32Å; T421-T425 PolarHBondContact O-OG1 3.34Å; I422-T425 PolarHBondContact O-N 3.42Å; T425-R428 PolarHBondContact O-N 3.37Å; T425-T429 PolarHBondContact O-N 2.98Å; T425-T429 VanDerWaalsContact O-N 3.14Å; T425-T429 PolarHBondContact O-OG1 2.98Å; T425-Y544 HydrophobicContact CG2-CD1 4.38Å; T425-R545 HydrophobicContact CG2-CG 3.76Å
426E84.3Confident86.4Confident122 Ų12259.9 Ų59.957%0.5729%0.286SS*.Hα-helixtrans-64-48.2177.1-172.5164.9-164.200111.1I422 I423 R428 T429I422-E426 WeakPolarHBondContact O-CB 3.47Å; I422-E426 PolarHBondContact O-N 3.07Å; I423-E426 PolarHBondContact O-N 3.21Å; E426-R428 VanDerWaalsContact C-N 3.32Å; E426-R428 PolarHBondContact O-N 3.5Å; E426-T429 VanDerWaalsContact O-CB 3.31Å; E426-T429 WeakPolarHBondContact O-CB 3.04Å; E426-T429 PolarHBondContact O-N 3.44Å; E426-T429 VanDerWaalsContact O-N 3.13Å
427W86.4Confident85.9Confident116 Ų11660.4 Ų60.444%0.43929%0.289SS..Hα-helixtrans-58.4-41.3175.3173.288.3000113.1I423 I424 T429 K430 Y431I423-W427 WeakPolarHBondContact O-CB 3.01Å; I423-W427 PolarHBondContact O-N 3.03Å; I424-W427 PolarHBondContact O-N 3.24Å; W427-T429 VanDerWaalsContact C-N 3.27Å; W427-T429 PolarHBondContact O-N 3.35Å; W427-K430 WeakPolarHBondContact O-CD 3.44Å; W427-K430 WeakPolarHBondContact O-CE 3.43Å; W427-K430 VanDerWaalsContact O-CG 3.27Å; W427-K430 WeakPolarHBondContact O-CG 3.26Å; W427-Y431 HydrophobicContact CD2-CE2 4.3Å; W427-Y431 HydrophobicContact CE3-CE2 4.15Å; W427-Y431 AromaticContact CH2-CE2 3.53Å; W427-Y431 HydrophobicContact CH2-CE2 3.53Å; W427-Y431 AromaticContact CZ2-CE2 3.67Å; W427-Y431 HydrophobicContact CZ2-CE2 3.67Å; W427-Y431 AromaticContact CZ2-CZ 4Å; W427-Y431 WeakPolarHBondContact CZ2-OH 3.48Å; W427-Y431 HydrophobicContact CZ3-CD2 4.46Å; W427-Y431 AromaticContact CZ3-CE2 3.78Å; W427-Y431 HydrophobicContact CZ3-CE2 3.78Å
428R86.7Confident85.7Confident14 Ų1463 Ų635%0.05330%0.301CS..Hα-helixtrans-69.4-23.2179.8173.1174.7176.6-122.5-3.2113I424 T425 E426 K430 Y431 R432 T483 S486I424-R428 VanDerWaalsContact O-CB 3.25Å; I424-R428 WeakPolarHBondContact O-CB 3.47Å; I424-R428 PolarHBondContact O-N 3.18Å; T425-R428 PolarHBondContact O-N 3.37Å; E426-R428 VanDerWaalsContact C-N 3.32Å; E426-R428 PolarHBondContact O-N 3.5Å; R428-K430 PolarHBondContact O-N 2.93Å; R428-K430 VanDerWaalsContact O-N 3.12Å; R428-Y431 PolarHBondContact O-N 3.32Å; R428-R432 PolarHBondContact O-N 2.93Å; R428-T483 VanDerWaalsContact CZ-O 3.26Å; R428-T483 PolarHBondContact NE-O 3.38Å; R428-T483 VanDerWaalsContact NH2-CG2 3.35Å; R428-T483 PolarHBondContact NH2-O 3.19Å; R428-S486 WeakPolarHBondContact CD-OG 3.37Å; R428-S486 VanDerWaalsContact CG-OG 3.29Å; R428-S486 WeakPolarHBondContact CG-OG 3.07Å; R428-S486 PolarHBondContact NE-OG 2.99Å
429T82.3Confident85.7Confident56 Ų5662.9 Ų62.934%0.34430%0.301SS..Hα-helixtrans-57.9-31.1-175.3-63.10000112.1T425 E426 W427 Y431 R432 R433T425-T429 PolarHBondContact O-N 2.98Å; T425-T429 VanDerWaalsContact O-N 3.14Å; T425-T429 PolarHBondContact O-OG1 2.98Å; E426-T429 VanDerWaalsContact O-CB 3.31Å; E426-T429 WeakPolarHBondContact O-CB 3.04Å; E426-T429 PolarHBondContact O-N 3.44Å; E426-T429 VanDerWaalsContact O-N 3.13Å; W427-T429 VanDerWaalsContact C-N 3.27Å; W427-T429 PolarHBondContact O-N 3.35Å; T429-Y431 PolarHBondContact O-N 2.72Å; T429-R432 PolarHBondContact O-N 3.05Å; T429-R433 PolarHBondContact O-N 2.91Å
430K84.1Confident85.2Confident106 Ų10662.8 Ų62.846%0.46129%0.294SS..Hα-helixtrans-60-40.6174.275.6-165176.9177.70113.9W427 R428 R433 D434W427-K430 WeakPolarHBondContact O-CD 3.44Å; W427-K430 WeakPolarHBondContact O-CE 3.43Å; W427-K430 VanDerWaalsContact O-CG 3.27Å; W427-K430 WeakPolarHBondContact O-CG 3.26Å; R428-K430 PolarHBondContact O-N 2.93Å; R428-K430 VanDerWaalsContact O-N 3.12Å; K430-R433 PolarHBondContact O-N 3.21Å; K430-D434 PolarHBondContact O-N 3.22Å
431Y86.3Confident84.8Confident59 Ų5962.3 Ų62.323%0.23130%0.298CS..Hα-helixtrans-69.8-37.6179.3-61.3-62.1000111.2W427 R428 T429 R433 D434 M435 K482 T483W427-Y431 HydrophobicContact CD2-CE2 4.3Å; W427-Y431 HydrophobicContact CE3-CE2 4.15Å; W427-Y431 AromaticContact CH2-CE2 3.53Å; W427-Y431 HydrophobicContact CH2-CE2 3.53Å; W427-Y431 AromaticContact CZ2-CE2 3.67Å; W427-Y431 HydrophobicContact CZ2-CE2 3.67Å; W427-Y431 AromaticContact CZ2-CZ 4Å; W427-Y431 WeakPolarHBondContact CZ2-OH 3.48Å; W427-Y431 HydrophobicContact CZ3-CD2 4.46Å; W427-Y431 AromaticContact CZ3-CE2 3.78Å; W427-Y431 HydrophobicContact CZ3-CE2 3.78Å; R428-Y431 PolarHBondContact O-N 3.32Å; T429-Y431 PolarHBondContact O-N 2.72Å; Y431-R433 VanDerWaalsContact C-N 3.34Å; Y431-D434 PolarHBondContact O-N 2.9Å; Y431-M435 WeakPolarHBondContact O-CB 3.5Å; Y431-M435 PolarHBondContact O-N 2.71Å; Y431-K482 HydrophobicContact CD1-CB 4.1Å; Y431-K482 HydrophobicContact CD1-CD 4.17Å; Y431-K482 HydrophobicContact CE1-CD 4.37Å; Y431-K482 HydrophobicContact CG-CB 4.39Å; Y431-T483 PolarHBondContact O-OG1 3.43Å
432R79.5Confident84.7Confident94 Ų9462.4 Ų62.436%0.35530%0.299SS..Hα-helixtrans-67.7-36.3175.6-161.1171.8-163.5-158.81.9111.9R428 T429 M435 N436 T483R428-R432 PolarHBondContact O-N 2.93Å; T429-R432 PolarHBondContact O-N 3.05Å; R432-M435 HydrophobicContact CG-CE 4.13Å; R432-M435 PolarHBondContact O-N 3.3Å; R432-N436 VanDerWaalsContact O-CG 3.26Å; R432-N436 PolarHBondContact O-N 3.04Å; R432-N436 PolarHBondContact O-OD1 3.45Å; R432-T483 HydrophobicContact CB-CG2 4.37Å; R432-T483 HydrophobicContact CG-CG2 4.32Å
433R80.5Confident84.6Confident124 Ų12463.6 Ų63.647%0.46830%0.302SS..Hα-helixtrans-62.7-46.8174.2-175.2177.5-179.81603.2111.2T429 K430 Y431 N436 L437T429-R433 PolarHBondContact O-N 2.91Å; K430-R433 PolarHBondContact O-N 3.21Å; Y431-R433 VanDerWaalsContact C-N 3.34Å; R433-N436 PolarHBondContact O-N 3.29Å; R433-L437 HydrophobicContact CG-CD1 4.45Å; R433-L437 WeakPolarHBondContact O-CG 3.32Å; R433-L437 PolarHBondContact O-N 3.43Å
434D84.1Confident84.4Confident57 Ų5761.4 Ų61.431%0.30530%0.296SS..Hα-helixtrans-60.1-47.2176.1-172.841.2000111.6K430 Y431 N436 L437 Q438 S479K430-D434 PolarHBondContact O-N 3.22Å; Y431-D434 PolarHBondContact O-N 2.9Å; D434-N436 PolarHBondContact O-N 3.44Å; D434-L437 WeakPolarHBondContact O-CB 3.27Å; D434-L437 PolarHBondContact O-N 3.09Å; D434-L437 VanDerWaalsContact O-N 3.1Å; D434-Q438 WeakPolarHBondContact O-CG 3.4Å; D434-Q438 PolarHBondContact O-N 3.47Å; D434-S479 PolarHBondContact OD2-OG 3.34Å
435M87.5Confident84.3Confident23 Ų2362.6 Ų62.611%0.11330%0.3CS..Hα-helixtrans-55-46.8174.6-175.8-166.379.700112.5Y431 R432 L437 Q438 D439 Y476 E480 T483Y431-M435 WeakPolarHBondContact O-CB 3.5Å; Y431-M435 PolarHBondContact O-N 2.71Å; R432-M435 HydrophobicContact CG-CE 4.13Å; R432-M435 PolarHBondContact O-N 3.3Å; M435-L437 VanDerWaalsContact C-N 3.33Å; M435-L437 PolarHBondContact O-N 3.45Å; M435-Q438 PolarHBondContact O-N 3.5Å; M435-D439 WeakPolarHBondContact O-CB 3.3Å; M435-D439 PolarHBondContact O-N 3.23Å; M435-Y476 HydrophobicContact CG-CD2 4.22Å; M435-Y476 HydrophobicContact CG-CE2 3.72Å; M435-E480 HydrophobicContact CG-CB 4.35Å; M435-E480 HydrophobicContact SD-CB 4.27Å; M435-E480 HydrophobicContact SD-CG 4.36Å; M435-T483 HydrophobicContact SD-CG2 3.93Å
436N79.8Confident84.4Confident76 Ų7663.7 Ų63.741%0.40631%0.31SS..Hα-helixtrans-65.5-34.4178.2-70.6-7.2000112.7R432 R433 D434 N440R432-N436 VanDerWaalsContact O-CG 3.26Å; R432-N436 PolarHBondContact O-N 3.04Å; R432-N436 PolarHBondContact O-OD1 3.45Å; R433-N436 PolarHBondContact O-N 3.29Å; D434-N436 PolarHBondContact O-N 3.44Å; N436-N440 WeakPolarHBondContact O-CB 3.32Å; N436-N440 PolarHBondContact O-N 2.98Å; N436-N440 PolarHBondContact O-ND2 3.49Å
437L82.4Confident84.5Confident93 Ų9359.2 Ų59.249%0.48729%0.291SS..Hα-helixtrans-66.2-44.5175.7-74169.4000111.2R433 D434 M435 N440 A441R433-L437 HydrophobicContact CG-CD1 4.45Å; R433-L437 WeakPolarHBondContact O-CG 3.32Å; R433-L437 PolarHBondContact O-N 3.43Å; D434-L437 WeakPolarHBondContact O-CB 3.27Å; D434-L437 PolarHBondContact O-N 3.09Å; D434-L437 VanDerWaalsContact O-N 3.1Å; M435-L437 VanDerWaalsContact C-N 3.33Å; M435-L437 PolarHBondContact O-N 3.45Å; L437-N440 PolarHBondContact O-N 3Å; L437-A441 WeakPolarHBondContact O-CB 3.47Å; L437-A441 PolarHBondContact O-N 3.31Å
438Q87.9Confident84.4Confident54 Ų5457.6 Ų57.625%0.25229%0.291SS..Hα-helixtrans-66.7-39176.8-59.2-52.5-35.700112D434 M435 A441 A442D434-Q438 WeakPolarHBondContact O-CG 3.4Å; D434-Q438 PolarHBondContact O-N 3.47Å; M435-Q438 PolarHBondContact O-N 3.5Å; Q438-A441 PolarHBondContact O-N 3Å; Q438-A442 WeakPolarHBondContact O-CB 3.42Å; Q438-A442 PolarHBondContact O-N 2.97Å
439D88.9Confident84.5Confident38 Ų3858.2 Ų58.220%0.20330%0.297CS..Hα-helixtrans-59.6-49174.4-178.345000111.5M435 A441 A442 K443 Y476M435-D439 WeakPolarHBondContact O-CB 3.3Å; M435-D439 PolarHBondContact O-N 3.23Å; D439-A441 VanDerWaalsContact C-N 3.33Å; D439-A441 PolarHBondContact O-N 3.27Å; D439-A442 PolarHBondContact O-N 3.2Å; D439-K443 VanDerWaalsContact CG-NZ 3.28Å; D439-K443 WeakPolarHBondContact O-CG 3.32Å; D439-K443 PolarHBondContact O-N 2.87Å; D439-K443 WeakPolarHBondContact OD1-CE 3.22Å; D439-K443 IonicContact OD1-NZ 3.34Å; D439-K443 PolarHBondContact OD1-NZ 3.09Å; D439-K443 VanDerWaalsContact OD1-NZ 3.13Å; D439-K443 WeakPolarHBondContact OD2-CE 3.48Å; D439-K443 IonicContact OD2-NZ 2.84Å; D439-K443 PolarHBondContact OD2-NZ 3.13Å; D439-Y476 HydrophobicContact CB-CD2 3.75Å; D439-Y476 HydrophobicContact CB-CE2 3.77Å
440N80.4Confident84.9Confident42 Ų4261.4 Ų61.423%0.22531%0.311CS..Hα-helixtrans-61.7-40.6176.9-73.2-19.4000112.1S220 N436 L437 K443 S444S220-N440 PolarHBondContact O-OD1 3.06Å; N436-N440 WeakPolarHBondContact O-CB 3.32Å; N436-N440 PolarHBondContact O-N 2.98Å; N436-N440 PolarHBondContact O-ND2 3.49Å; L437-N440 PolarHBondContact O-N 3Å; N440-K443 PolarHBondContact O-N 2.84Å; N440-S444 VanDerWaalsContact O-CB 3.29Å; N440-S444 WeakPolarHBondContact O-CB 3.3Å; N440-S444 PolarHBondContact O-N 3.31Å
441A82.4Confident84.9Confident44 Ų4462.7 Ų62.736%0.36432%0.323SS..Hα-helixtrans-64.4-41.9176.800000112.1L437 Q438 D439 S444 K445L437-A441 WeakPolarHBondContact O-CB 3.47Å; L437-A441 PolarHBondContact O-N 3.31Å; Q438-A441 PolarHBondContact O-N 3Å; D439-A441 VanDerWaalsContact C-N 3.33Å; D439-A441 PolarHBondContact O-N 3.27Å; A441-S444 PolarHBondContact O-N 3.36Å; A441-K445 WeakPolarHBondContact O-CG 3.25Å; A441-K445 PolarHBondContact O-N 3.44Å
442A87.8Confident85.1Confident2 Ų263.3 Ų63.32%0.01733%0.33CS..Hα-helixtrans-63.3-47.3175.800000111.5Q438 D439 S444 K445 A446 F469 A472 I473Q438-A442 WeakPolarHBondContact O-CB 3.42Å; Q438-A442 PolarHBondContact O-N 2.97Å; D439-A442 PolarHBondContact O-N 3.2Å; A442-S444 PolarHBondContact O-N 3.32Å; A442-K445 PolarHBondContact O-N 3.46Å; A442-A446 PolarHBondContact O-N 3.41Å; A442-A446 VanDerWaalsContact O-N 3.12Å; A442-F469 HydrophobicContact CB-CE2 4.37Å; A442-A472 HydrophobicContact CB-CB 3.78Å; A442-I473 HydrophobicContact CB-CD1 4.24Å
443K83.9Confident85.6Confident79 Ų7964.3 Ų64.334%0.34334%0.337SS..Hα-helixtrans-64.2-39177.5-69.7179.7-175.8155.30112.6S220 D439 N440 K445 A446 V447S220-K443 WeakPolarHBondContact OG-CD 3.18Å; D439-K443 VanDerWaalsContact CG-NZ 3.28Å; D439-K443 WeakPolarHBondContact O-CG 3.32Å; D439-K443 PolarHBondContact O-N 2.87Å; D439-K443 WeakPolarHBondContact OD1-CE 3.22Å; D439-K443 IonicContact OD1-NZ 3.34Å; D439-K443 PolarHBondContact OD1-NZ 3.09Å; D439-K443 VanDerWaalsContact OD1-NZ 3.13Å; D439-K443 WeakPolarHBondContact OD2-CE 3.48Å; D439-K443 IonicContact OD2-NZ 2.84Å; D439-K443 PolarHBondContact OD2-NZ 3.13Å; N440-K443 PolarHBondContact O-N 2.84Å; K443-K445 VanDerWaalsContact C-N 3.33Å; K443-K445 PolarHBondContact O-N 2.99Å; K443-A446 PolarHBondContact O-N 3.33Å; K443-V447 WeakPolarHBondContact O-CG2 3.34Å; K443-V447 PolarHBondContact O-N 3.33Å
444S82.4Confident86.2Confident58 Ų5864.5 Ų64.541%0.40634%0.343SS..Hα-helixtrans-60.5-42.8176.1-170.40000112.1L221 N440 A441 A442 D448L221-S444 VanDerWaalsContact CD2-CA 3.49Å; N440-S444 VanDerWaalsContact O-CB 3.29Å; N440-S444 WeakPolarHBondContact O-CB 3.3Å; N440-S444 PolarHBondContact O-N 3.31Å; A441-S444 PolarHBondContact O-N 3.36Å; A442-S444 PolarHBondContact O-N 3.32Å; S444-D448 VanDerWaalsContact O-CB 3.31Å; S444-D448 WeakPolarHBondContact O-CB 3.48Å; S444-D448 PolarHBondContact O-N 3Å
445K87.1Confident86.8Confident52 Ų5265 Ų6523%0.22635%0.348CS..Hα-helixtrans-63.3-43.6175.8-70.9170.1168.6-169.20111.8A441 A442 K443 D448 S449 R468 A472A441-K445 WeakPolarHBondContact O-CG 3.25Å; A441-K445 PolarHBondContact O-N 3.44Å; A442-K445 PolarHBondContact O-N 3.46Å; K443-K445 VanDerWaalsContact C-N 3.33Å; K443-K445 PolarHBondContact O-N 2.99Å; K445-D448 PolarHBondContact O-N 3.15Å; K445-S449 WeakPolarHBondContact O-CB 3.44Å; K445-S449 PolarHBondContact O-N 3.27Å; K445-R468 HydrophobicContact CD-CG 4.27Å; K445-R468 PolarHBondContact NZ-O 3.33Å; K445-A472 HydrophobicContact CD-CB 3.94Å
446A88.3Confident87.2Confident29 Ų2964.8 Ų64.824%0.2435%0.348CS..Hα-helixtrans-62.4-46178.500000112.1A442 K443 S449 L450 F469A442-A446 PolarHBondContact O-N 3.41Å; A442-A446 VanDerWaalsContact O-N 3.12Å; K443-A446 PolarHBondContact O-N 3.33Å; A446-S449 PolarHBondContact O-N 3.09Å; A446-L450 VanDerWaalsContact O-CG 3.3Å; A446-L450 WeakPolarHBondContact O-CG 3.25Å; A446-L450 PolarHBondContact O-N 2.96Å; A446-F469 HydrophobicContact CB-CD2 4.07Å; A446-F469 HydrophobicContact CB-CE2 3.78Å
447V85.8Confident87.9Confident28 Ų2865.5 Ų65.517%0.1735%0.348CS..Hα-helixtrans-64.4-43.6178.3171.80000111.3L221 K443 S449 L450 L451L221-V447 HydrophobicContact CD1-CB 3.94Å; L221-V447 HydrophobicContact CD1-CG1 3.79Å; L221-V447 HydrophobicContact CD1-CG2 3.91Å; K443-V447 WeakPolarHBondContact O-CG2 3.34Å; K443-V447 PolarHBondContact O-N 3.33Å; V447-S449 VanDerWaalsContact C-N 3.34Å; V447-S449 PolarHBondContact O-N 3.39Å; V447-L450 PolarHBondContact O-N 2.89Å; V447-L451 HydrophobicContact CG1-CD1 3.67Å; V447-L451 HydrophobicContact CG1-CG 4.05Å; V447-L451 WeakPolarHBondContact O-CB 3.31Å; V447-L451 WeakPolarHBondContact O-CG 3.28Å; V447-L451 PolarHBondContact O-N 2.98Å
448D84.8Confident88.5Confident81 Ų8169 Ų6943%0.43336%0.356SS..Hα-helixtrans-61.5-41.6178.8-16941.2000112S444 K445 N452S444-D448 VanDerWaalsContact O-CB 3.31Å; S444-D448 WeakPolarHBondContact O-CB 3.48Å; S444-D448 PolarHBondContact O-N 3Å; K445-D448 PolarHBondContact O-N 3.15Å; D448-N452 WeakPolarHBondContact O-CB 3.44Å; D448-N452 PolarHBondContact O-N 2.93Å; D448-N452 VanDerWaalsContact O-N 3.13Å; D448-N452 PolarHBondContact O-ND2 3Å; D448-N452 PolarHBondContact OD1-ND2 3.4Å
449S89.1Confident88.9Confident27 Ų2775.1 Ų75.119%0.18938%0.378CS..Hα-helixtrans-64-41.2175-177.80000112.5K445 A446 V447 N452 F453K445-S449 WeakPolarHBondContact O-CB 3.44Å; K445-S449 PolarHBondContact O-N 3.27Å; A446-S449 PolarHBondContact O-N 3.09Å; V447-S449 VanDerWaalsContact C-N 3.34Å; V447-S449 PolarHBondContact O-N 3.39Å; S449-N452 CarbonylContact O-C 3.58Å; S449-F453 PolarHBondContact O-N 2.88Å
450L90.3Very high89.2Confident123 Ų12379.5 Ų79.564%0.64440%0.401SS*.Hα-helixtrans-75.6-35.2-179.5-69173.5000113.4A446 V447 N452 F453A446-L450 VanDerWaalsContact O-CG 3.3Å; A446-L450 WeakPolarHBondContact O-CG 3.25Å; A446-L450 PolarHBondContact O-N 2.96Å; V447-L450 PolarHBondContact O-N 2.89Å; L450-N452 VanDerWaalsContact C-N 3.31Å; L450-F453 WeakPolarHBondContact O-CB 3.49Å; L450-F453 PolarHBondContact O-N 3.11Å
451L83.9Confident89.9Confident133 Ų13378.8 Ų78.870%0.69640%0.401SS*.Hα-helixtrans-66-38.1174.3-74.9174.3000111.2V447 F453V447-L451 HydrophobicContact CG1-CD1 3.67Å; V447-L451 HydrophobicContact CG1-CG 4.05Å; V447-L451 WeakPolarHBondContact O-CB 3.31Å; V447-L451 WeakPolarHBondContact O-CG 3.28Å; V447-L451 PolarHBondContact O-N 2.98Å; L451-F453 VanDerWaalsContact C-N 3.29Å; L451-F453 PolarHBondContact O-N 3.45Å
452N91.1Very high90.6Very high73 Ų7379.4 Ų79.439%0.3940%0.397SS..THydrogen-bonded Turntrans-97.534.1177.9-57.9-62000111.8D448 S449 L450 E454 T455 V456D448-N452 WeakPolarHBondContact O-CB 3.44Å; D448-N452 PolarHBondContact O-N 2.93Å; D448-N452 VanDerWaalsContact O-N 3.13Å; D448-N452 PolarHBondContact O-ND2 3Å; D448-N452 PolarHBondContact OD1-ND2 3.4Å; S449-N452 CarbonylContact O-C 3.58Å; L450-N452 VanDerWaalsContact C-N 3.31Å; N452-E454 VanDerWaalsContact C-N 3.26Å; N452-E454 PolarHBondContact O-N 3.02Å; N452-T455 WeakPolarHBondContact O-CB 3.11Å; N452-T455 PolarHBondContact O-N 3.32Å; N452-V456 WeakPolarHBondContact O-CG2 3.32Å; N452-V456 PolarHBondContact O-N 2.69Å
453F90.3Very high91Very high114 Ų11486.1 Ų86.150%0.543%0.432SS..Hα-helixtrans-54.8-41.9-176.3174.1-100.1000112.6S449 L450 L451 T455 V456 K457S449-F453 PolarHBondContact O-N 2.88Å; L450-F453 WeakPolarHBondContact O-CB 3.49Å; L450-F453 PolarHBondContact O-N 3.11Å; L451-F453 VanDerWaalsContact C-N 3.29Å; L451-F453 PolarHBondContact O-N 3.45Å; F453-T455 VanDerWaalsContact C-N 3.34Å; F453-T455 PolarHBondContact O-N 2.9Å; F453-V456 PolarHBondContact O-N 2.83Å; F453-K457 HydrophobicContact CD1-CG 4.35Å; F453-K457 HydrophobicContact CD2-CG 4.45Å; F453-K457 HydrophobicContact CE1-CG 3.89Å; F453-K457 HydrophobicContact CE2-CD 4.45Å; F453-K457 HydrophobicContact CE2-CG 4.01Å; F453-K457 HydrophobicContact CZ-CD 4.21Å; F453-K457 HydrophobicContact CZ-CG 3.71Å; F453-K457 WeakPolarHBondContact O-CG 3.38Å; F453-K457 PolarHBondContact O-N 3.21Å
454E93.1Very high91.5Very high129 Ų12989.6 Ų89.660%0.60344%0.444SS*.Hα-helixtrans-60-44.4176.9-66.1-177.5175.300111.4N452 K457 Y458N452-E454 VanDerWaalsContact C-N 3.26Å; N452-E454 PolarHBondContact O-N 3.02Å; E454-K457 CarbonylContact O-C 3.55Å; E454-K457 PolarHBondContact O-N 2.81Å; E454-Y458 HydrophobicContact CB-CE2 3.98Å; E454-Y458 WeakPolarHBondContact O-CB 3.38Å; E454-Y458 WeakPolarHBondContact O-CD1 3.41Å; E454-Y458 VanDerWaalsContact O-CD2 3.3Å; E454-Y458 WeakPolarHBondContact O-CD2 3.22Å; E454-Y458 PolarHBondContact O-N 2.86Å
455T94.9Very high92.2Very high66 Ų6688.5 Ų88.541%0.40543%0.433SS..Hα-helixtrans-62.2-47.7176.7-510000111.3N452 F453 K457 Y458 Y459N452-T455 WeakPolarHBondContact O-CB 3.11Å; N452-T455 PolarHBondContact O-N 3.32Å; F453-T455 VanDerWaalsContact C-N 3.34Å; F453-T455 PolarHBondContact O-N 2.9Å; T455-K457 PolarHBondContact O-N 2.82Å; T455-Y458 PolarHBondContact O-N 2.82Å; T455-Y458 VanDerWaalsContact O-N 3.15Å; T455-Y459 HydrophobicContact CG2-CD2 3.8Å; T455-Y459 HydrophobicContact CG2-CE2 3.82Å; T455-Y459 VanDerWaalsContact O-CD2 3.24Å; T455-Y459 WeakPolarHBondContact O-CD2 3.09Å; T455-Y459 PolarHBondContact O-N 2.94Å; T455-Y459 VanDerWaalsContact O-N 3.14Å
456V96.4Very high92.6Very high19 Ų1990.4 Ų90.412%0.11545%0.449CS..Hα-helixtrans-57-40.2177.9177.50000110.6N452 F453 N460 A461 E462 E465N452-V456 WeakPolarHBondContact O-CG2 3.32Å; N452-V456 PolarHBondContact O-N 2.69Å; F453-V456 PolarHBondContact O-N 2.83Å; V456-N460 PolarHBondContact O-N 3.37Å; V456-A461 HydrophobicContact CG1-CB 4.43Å; V456-A461 PolarHBondContact O-N 3.29Å; V456-E462 HydrophobicContact CG1-CG 4.18Å; V456-E465 HydrophobicContact CG1-CG 4.4Å; V456-E465 HydrophobicContact CG2-CG 4.28Å
457K94.3Very high93Very high91 Ų9190.3 Ų90.340%0.39645%0.45SS..Hα-helixtrans-71.2-40.1175.8-72.3-65.5179.7-175.40113.8F453 E454 T455 Y459 N460 E462F453-K457 HydrophobicContact CD1-CG 4.35Å; F453-K457 HydrophobicContact CD2-CG 4.45Å; F453-K457 HydrophobicContact CE1-CG 3.89Å; F453-K457 HydrophobicContact CE2-CD 4.45Å; F453-K457 HydrophobicContact CE2-CG 4.01Å; F453-K457 HydrophobicContact CZ-CD 4.21Å; F453-K457 HydrophobicContact CZ-CG 3.71Å; F453-K457 WeakPolarHBondContact O-CG 3.38Å; F453-K457 PolarHBondContact O-N 3.21Å; E454-K457 CarbonylContact O-C 3.55Å; E454-K457 PolarHBondContact O-N 2.81Å; T455-K457 PolarHBondContact O-N 2.82Å; K457-Y459 PolarHBondContact O-N 2.74Å; K457-N460 PolarHBondContact O-N 3.26Å; K457-N460 PolarHBondContact O-OD1 3.49Å; K457-E462 HydrophobicContact CD-CG 4.46Å; K457-E462 VanDerWaalsContact CD-OE1 3.29Å; K457-E462 WeakPolarHBondContact CD-OE1 3.08Å; K457-E462 WeakPolarHBondContact CE-OE1 3.4Å; K457-E462 IonicContact NZ-OE1 3.37Å; K457-E462 PolarHBondContact NZ-OE1 3.38Å
458Y96.3Very high93.4Very high168 Ų16893.2 Ų93.266%0.65946%0.458SS*.Hα-helixtrans-60.3-32.3177.3-66.6-26.8000112.6E454 T455E454-Y458 HydrophobicContact CB-CE2 3.98Å; E454-Y458 WeakPolarHBondContact O-CB 3.38Å; E454-Y458 WeakPolarHBondContact O-CD1 3.41Å; E454-Y458 VanDerWaalsContact O-CD2 3.3Å; E454-Y458 WeakPolarHBondContact O-CD2 3.22Å; E454-Y458 PolarHBondContact O-N 2.86Å; T455-Y458 PolarHBondContact O-N 2.82Å; T455-Y458 VanDerWaalsContact O-N 3.15Å
459Y96.5Very high93.9Very high181 Ų18193.4 Ų93.471%0.7146%0.455SS*.THydrogen-bonded Turntrans-102.14.4-178.8-66.6-76.5000114.4T455 K457 A461T455-Y459 HydrophobicContact CG2-CD2 3.8Å; T455-Y459 HydrophobicContact CG2-CE2 3.82Å; T455-Y459 VanDerWaalsContact O-CD2 3.24Å; T455-Y459 WeakPolarHBondContact O-CD2 3.09Å; T455-Y459 PolarHBondContact O-N 2.94Å; T455-Y459 VanDerWaalsContact O-N 3.14Å; K457-Y459 PolarHBondContact O-N 2.74Å; Y459-A461 PolarHBondContact O-N 2.62Å
460N94.7Very high94.3Very high130 Ų13097.7 Ų97.770%0.69547%0.472SS*.THydrogen-bonded Turntrans49.440.2-175.3-62.6-36.3000113.2V456 K457 E462V456-N460 PolarHBondContact O-N 3.37Å; K457-N460 PolarHBondContact O-N 3.26Å; K457-N460 PolarHBondContact O-OD1 3.49Å; N460-E462 VanDerWaalsContact C-N 3.35Å; N460-E462 VanDerWaalsContact CA-OE2 3.22Å; N460-E462 WeakPolarHBondContact CA-OE2 3.08Å
461A95.8Very high94.6Very high27 Ų2796.3 Ų96.322%0.22347%0.465CS..  trans-93.617.8-173.100000113.4V456 Y459 N463 Y464 E465V456-A461 HydrophobicContact CG1-CB 4.43Å; V456-A461 PolarHBondContact O-N 3.29Å; Y459-A461 PolarHBondContact O-N 2.62Å; A461-N463 PolarHBondContact O-N 3.45Å; A461-Y464 WeakPolarHBondContact O-CB 3.39Å; A461-Y464 PolarHBondContact O-N 3.13Å; A461-E465 PolarHBondContact O-N 2.71Å
462E95.4Very high95.1Very high58 Ų5890.1 Ų90.127%0.27143%0.434SS..Hα-helixtrans-61.2-48.2-172.4-58.996.5140.500112.3V456 K457 N460 Y464 E465 V466V456-E462 HydrophobicContact CG1-CG 4.18Å; K457-E462 HydrophobicContact CD-CG 4.46Å; K457-E462 VanDerWaalsContact CD-OE1 3.29Å; K457-E462 WeakPolarHBondContact CD-OE1 3.08Å; K457-E462 WeakPolarHBondContact CE-OE1 3.4Å; K457-E462 IonicContact NZ-OE1 3.37Å; K457-E462 PolarHBondContact NZ-OE1 3.38Å; N460-E462 VanDerWaalsContact C-N 3.35Å; N460-E462 VanDerWaalsContact CA-OE2 3.22Å; N460-E462 WeakPolarHBondContact CA-OE2 3.08Å; E462-Y464 PolarHBondContact O-N 3.19Å; E462-E465 PolarHBondContact O-N 3.01Å; E462-V466 VanDerWaalsContact O-CG2 3.29Å; E462-V466 WeakPolarHBondContact O-CG2 3.49Å; E462-V466 PolarHBondContact O-N 2.96Å
463N96.6Very high95.3Very high142 Ų14289.1 Ų89.176%0.75943%0.428SS*.Hα-helixtrans-64.6-32.2-179.6-69.5-28.2000112.1A461 G467A461-N463 PolarHBondContact O-N 3.45Å; N463-G467 PolarHBondContact O-N 3.38Å
464Y95.6Very high95.6Very high153 Ų15388 Ų8860%0.643%0.426SS*.Hα-helixtrans-66.4-47.5175.8174.1-95.6000111.1A461 E462 V466 G467 R468A461-Y464 WeakPolarHBondContact O-CB 3.39Å; A461-Y464 PolarHBondContact O-N 3.13Å; E462-Y464 PolarHBondContact O-N 3.19Å; Y464-V466 VanDerWaalsContact C-N 3.35Å; Y464-G467 PolarHBondContact O-N 3.13Å; Y464-R468 WeakPolarHBondContact O-CB 3.43Å; Y464-R468 PolarHBondContact O-N 3.46Å
465E95.8Very high95.7Very high35 Ų3587.9 Ų87.916%0.16442%0.424CS..Hα-helixtrans-67-36.1177.8-71.9-57.4149.300112.2V456 A461 E462 R468 F469V456-E465 HydrophobicContact CG1-CG 4.4Å; V456-E465 HydrophobicContact CG2-CG 4.28Å; A461-E465 PolarHBondContact O-N 2.71Å; E462-E465 PolarHBondContact O-N 3.01Å; E465-R468 PolarHBondContact O-N 2.85Å; E465-R468 IonicContact OE1-NH1 3.76Å; E465-R468 IonicContact OE2-NH1 2.71Å; E465-F469 WeakPolarHBondContact O-CB 3.25Å; E465-F469 PolarHBondContact O-N 3.4Å
466V95.7Very high95.7Very high92 Ų9286.9 Ų86.956%0.55841%0.413SS*.Hα-helixtrans-59.8-48.6172.3171.10000111E462 Y464 R468 F469 E470E462-V466 VanDerWaalsContact O-CG2 3.29Å; E462-V466 WeakPolarHBondContact O-CG2 3.49Å; E462-V466 PolarHBondContact O-N 2.96Å; Y464-V466 VanDerWaalsContact C-N 3.35Å; V466-R468 PolarHBondContact O-N 2.94Å; V466-F469 PolarHBondContact O-N 3.24Å; V466-E470 PolarHBondContact O-N 2.83Å
467G96.8Very high95.7Very high26 Ų2690.7 Ų90.727%0.26843%0.43SS..Hα-helixtrans-63.6-40.7177.200000112.9N463 Y464 F469 E470 D471N463-G467 PolarHBondContact O-N 3.38Å; Y464-G467 PolarHBondContact O-N 3.13Å; G467-F469 VanDerWaalsContact C-N 3.25Å; G467-F469 PolarHBondContact O-N 3.01Å; G467-E470 PolarHBondContact O-N 3.07Å; G467-D471 PolarHBondContact O-N 2.78Å
468R94.5Very high95.8Very high90 Ų9089 Ų8934%0.3443%0.432SS..Hα-helixtrans-63.9-31.3176.7-173.2-179.6-179.9-156.6-1.7112.8K445 Y464 E465 V466K445-R468 HydrophobicContact CD-CG 4.27Å; K445-R468 PolarHBondContact NZ-O 3.33Å; Y464-R468 WeakPolarHBondContact O-CB 3.43Å; Y464-R468 PolarHBondContact O-N 3.46Å; E465-R468 PolarHBondContact O-N 2.85Å; E465-R468 IonicContact OE1-NH1 3.76Å; E465-R468 IonicContact OE2-NH1 2.71Å; V466-R468 PolarHBondContact O-N 2.94Å
469F95.1Very high95.7Very high84 Ų8481.3 Ų81.337%0.36840%0.403SS..Hα-helixtrans-75.9-45.2173.2-176.8-109.9000111.5A442 A446 E465 V466 G467 D471 A472 I473A442-F469 HydrophobicContact CB-CE2 4.37Å; A446-F469 HydrophobicContact CB-CD2 4.07Å; A446-F469 HydrophobicContact CB-CE2 3.78Å; E465-F469 WeakPolarHBondContact O-CB 3.25Å; E465-F469 PolarHBondContact O-N 3.4Å; V466-F469 PolarHBondContact O-N 3.24Å; G467-F469 VanDerWaalsContact C-N 3.25Å; G467-F469 PolarHBondContact O-N 3.01Å; F469-D471 VanDerWaalsContact C-N 3.34Å; F469-D471 PolarHBondContact O-N 3.45Å; F469-A472 WeakPolarHBondContact O-CA 3.37Å; F469-A472 VanDerWaalsContact O-CB 3.29Å; F469-A472 WeakPolarHBondContact O-CB 3.34Å; F469-A472 PolarHBondContact O-N 3.24Å; F469-I473 HydrophobicContact CD1-CG1 4.16Å; F469-I473 HydrophobicContact CE1-CD1 4.13Å; F469-I473 HydrophobicContact CE1-CG1 3.79Å; F469-I473 HydrophobicContact CE2-CD1 4.16Å; F469-I473 HydrophobicContact CE2-CG1 4.29Å; F469-I473 HydrophobicContact CZ-CD1 3.73Å; F469-I473 HydrophobicContact CZ-CG1 3.87Å; F469-I473 WeakPolarHBondContact O-CG1 3.43Å; F469-I473 PolarHBondContact O-N 2.93Å
470E96.8Very high95.6Very high118 Ų11875.8 Ų75.855%0.55138%0.384SS*.Hα-helixtrans-53.9-48.2174.7-176.6176.6-170.700111.8V466 G467 A472 I473 L474V466-E470 PolarHBondContact O-N 2.83Å; G467-E470 PolarHBondContact O-N 3.07Å; E470-A472 PolarHBondContact O-N 3.25Å; E470-I473 WeakPolarHBondContact O-CA 2.97Å; E470-I473 WeakPolarHBondContact O-CB 3.35Å; E470-I473 PolarHBondContact O-N 3.16Å; E470-L474 HydrophobicContact CG-CD1 4.47Å; E470-L474 WeakPolarHBondContact O-CG 3.46Å; E470-L474 PolarHBondContact O-N 3.47Å
471D96.7Very high95.6Very high93 Ų9378.3 Ų78.350%0.49738%0.384SS..Hα-helixtrans-57.9-35.5175.1-80.1-20.2000113.1G467 F469 K475G467-D471 PolarHBondContact O-N 2.78Å; F469-D471 VanDerWaalsContact C-N 3.34Å; F469-D471 PolarHBondContact O-N 3.45Å; D471-K475 WeakPolarHBondContact O-CG 3.44Å; D471-K475 PolarHBondContact O-N 2.99Å
472A94.2Very high95.6Very high4 Ų481.5 Ų81.53%0.03339%0.393CS..Hα-helixtrans-70.3-40.1176.600000110.9A442 K445 F469 E470 K475 Y476A442-A472 HydrophobicContact CB-CB 3.78Å; K445-A472 HydrophobicContact CD-CB 3.94Å; F469-A472 WeakPolarHBondContact O-CA 3.37Å; F469-A472 VanDerWaalsContact O-CB 3.29Å; F469-A472 WeakPolarHBondContact O-CB 3.34Å; F469-A472 PolarHBondContact O-N 3.24Å; E470-A472 PolarHBondContact O-N 3.25Å; A472-K475 PolarHBondContact O-N 3.18Å; A472-Y476 PolarHBondContact O-N 3.47Å
473I96.4Very high95.3Very high52 Ų5279 Ų7927%0.26738%0.381SS..Hα-helixtrans-65.7-41.8176.7-65.9-61.7000111.2A442 F469 E470 K475 Y476 Q477A442-I473 HydrophobicContact CB-CD1 4.24Å; F469-I473 HydrophobicContact CD1-CG1 4.16Å; F469-I473 HydrophobicContact CE1-CD1 4.13Å; F469-I473 HydrophobicContact CE1-CG1 3.79Å; F469-I473 HydrophobicContact CE2-CD1 4.16Å; F469-I473 HydrophobicContact CE2-CG1 4.29Å; F469-I473 HydrophobicContact CZ-CD1 3.73Å; F469-I473 HydrophobicContact CZ-CG1 3.87Å; F469-I473 WeakPolarHBondContact O-CG1 3.43Å; F469-I473 PolarHBondContact O-N 2.93Å; E470-I473 WeakPolarHBondContact O-CA 2.97Å; E470-I473 WeakPolarHBondContact O-CB 3.35Å; E470-I473 PolarHBondContact O-N 3.16Å; I473-K475 VanDerWaalsContact C-N 3.33Å; I473-K475 PolarHBondContact O-N 3.39Å; I473-Y476 WeakPolarHBondContact O-CB 3.3Å; I473-Y476 PolarHBondContact O-N 3.44Å; I473-Y476 VanDerWaalsContact O-N 3.16Å; I473-Q477 HydrophobicContact CG2-CG 4.25Å; I473-Q477 WeakPolarHBondContact O-CG 3.26Å; I473-Q477 PolarHBondContact O-N 2.9Å
474L97Very high95.2Very high90 Ų9077.3 Ų77.347%0.47137%0.369SS..Hα-helixtrans-60.5-41.5176.7-70.4173.5000112E470 Q477 A478E470-L474 HydrophobicContact CG-CD1 4.47Å; E470-L474 WeakPolarHBondContact O-CG 3.46Å; E470-L474 PolarHBondContact O-N 3.47Å; L474-Q477 PolarHBondContact O-N 3.42Å; L474-A478 PolarHBondContact O-N 3.34Å; L474-A478 VanDerWaalsContact O-N 3.12Å
475K95.1Very high95.1Very high126 Ų12672 Ų7255%0.54836%0.356SS..Hα-helixtrans-65.2-39.5174.5-70.5174.3-175.7177.20112.4D471 A472 I473 S479D471-K475 WeakPolarHBondContact O-CG 3.44Å; D471-K475 PolarHBondContact O-N 2.99Å; A472-K475 PolarHBondContact O-N 3.18Å; I473-K475 VanDerWaalsContact C-N 3.33Å; I473-K475 PolarHBondContact O-N 3.39Å; K475-S479 PolarHBondContact O-N 3.41Å; K475-S479 PolarHBondContact O-OG 2.92Å
476Y94.3Very high95Very high45 Ų4570.7 Ų70.718%0.17635%0.351CS..Hα-helixtrans-61.4-49.1173167.1-94.9000111.3M435 D439 A472 I473 A478 S479 E480M435-Y476 HydrophobicContact CG-CD2 4.22Å; M435-Y476 HydrophobicContact CG-CE2 3.72Å; D439-Y476 HydrophobicContact CB-CD2 3.75Å; D439-Y476 HydrophobicContact CB-CE2 3.77Å; A472-Y476 PolarHBondContact O-N 3.47Å; I473-Y476 WeakPolarHBondContact O-CB 3.3Å; I473-Y476 PolarHBondContact O-N 3.44Å; I473-Y476 VanDerWaalsContact O-N 3.16Å; Y476-A478 VanDerWaalsContact C-N 3.33Å; Y476-A478 PolarHBondContact O-N 2.85Å; Y476-S479 CarbonylContact O-C 3.58Å; Y476-S479 WeakPolarHBondContact O-CA 3.47Å; Y476-S479 WeakPolarHBondContact O-CB 3.33Å; Y476-S479 PolarHBondContact O-N 2.91Å; Y476-E480 HydrophobicContact CE1-CB 4.2Å; Y476-E480 HydrophobicContact CE1-CG 4.49Å; Y476-E480 WeakPolarHBondContact CE1-OE2 3.29Å; Y476-E480 WeakPolarHBondContact O-CB 3.48Å; Y476-E480 PolarHBondContact O-N 3.48Å; Y476-E480 PolarHBondContact OH-OE1 3.1Å
477Q96.3Very high94.7Very high100 Ų10068.8 Ų68.847%0.46734%0.338SS..Hα-helixtrans-58.1-41.8-179.7-75.5176.7-11.900112.5I473 L474 S479 E480 W481I473-Q477 HydrophobicContact CG2-CG 4.25Å; I473-Q477 WeakPolarHBondContact O-CG 3.26Å; I473-Q477 PolarHBondContact O-N 2.9Å; L474-Q477 PolarHBondContact O-N 3.42Å; Q477-S479 VanDerWaalsContact C-N 3.27Å; Q477-S479 PolarHBondContact O-N 3.32Å; Q477-E480 PolarHBondContact O-N 3.48Å; Q477-W481 PolarHBondContact O-N 3.47Å
478A96.6Very high94.5Very high54 Ų5470.3 Ų70.345%0.44635%0.348SS..Hα-helixtrans-61.7-35.9175.900000112.7L474 Y476 K482L474-A478 PolarHBondContact O-N 3.34Å; L474-A478 VanDerWaalsContact O-N 3.12Å; Y476-A478 VanDerWaalsContact C-N 3.33Å; Y476-A478 PolarHBondContact O-N 2.85Å; A478-K482 WeakPolarHBondContact O-CG 3.34Å; A478-K482 PolarHBondContact O-N 3.44Å
479S93.4Very high94.5Very high7 Ų770.5 Ų70.55%0.04936%0.355CS..Hα-helixtrans-77.7-36.4178.4-52.60000111.9D434 K475 Y476 Q477 K482 T483D434-S479 PolarHBondContact OD2-OG 3.34Å; K475-S479 PolarHBondContact O-N 3.41Å; K475-S479 PolarHBondContact O-OG 2.92Å; Y476-S479 CarbonylContact O-C 3.58Å; Y476-S479 WeakPolarHBondContact O-CA 3.47Å; Y476-S479 WeakPolarHBondContact O-CB 3.33Å; Y476-S479 PolarHBondContact O-N 2.91Å; Q477-S479 VanDerWaalsContact C-N 3.27Å; Q477-S479 PolarHBondContact O-N 3.32Å; S479-K482 PolarHBondContact O-N 2.9Å; S479-T483 PolarHBondContact O-N 3.01Å; S479-T483 VanDerWaalsContact O-N 3.11Å; S479-T483 PolarHBondContact O-OG1 3.02Å
480E94.3Very high94.2Very high66 Ų6667 Ų6731%0.30834%0.34SS..Hα-helixtrans-63.2-45.3173.9-178.4173.1-130.100111.2M435 Y476 Q477 K482 T483 Q484M435-E480 HydrophobicContact CG-CB 4.35Å; M435-E480 HydrophobicContact SD-CB 4.27Å; M435-E480 HydrophobicContact SD-CG 4.36Å; Y476-E480 HydrophobicContact CE1-CB 4.2Å; Y476-E480 HydrophobicContact CE1-CG 4.49Å; Y476-E480 WeakPolarHBondContact CE1-OE2 3.29Å; Y476-E480 WeakPolarHBondContact O-CB 3.48Å; Y476-E480 PolarHBondContact O-N 3.48Å; Y476-E480 PolarHBondContact OH-OE1 3.1Å; Q477-E480 PolarHBondContact O-N 3.48Å; E480-K482 PolarHBondContact O-N 3.17Å; E480-T483 CarbonylContact O-C 3.56Å; E480-T483 WeakPolarHBondContact O-CA 3.5Å; E480-T483 WeakPolarHBondContact O-CB 3.36Å; E480-T483 PolarHBondContact O-N 3.11Å; E480-Q484 HydrophobicContact CG-CG 4.46Å; E480-Q484 WeakPolarHBondContact O-CG 3.33Å; E480-Q484 PolarHBondContact O-N 3.35Å
481W96.3Very high93.9Very high183 Ų18364.1 Ų64.169%0.69333%0.328SS*.Hα-helixtrans-57-47.2176.4178.387.1000111.9Q477 T483 Q484 A485Q477-W481 PolarHBondContact O-N 3.47Å; W481-T483 PolarHBondContact O-N 3.34Å; W481-Q484 PolarHBondContact O-N 2.68Å; W481-Q484 VanDerWaalsContact O-N 3.16Å; W481-A485 HydrophobicContact CH2-CB 4.45Å; W481-A485 HydrophobicContact CZ2-CB 4.34Å; W481-A485 VanDerWaalsContact O-CB 3.31Å; W481-A485 WeakPolarHBondContact O-CB 3.42Å; W481-A485 PolarHBondContact O-N 3.33Å
482K95.1Very high93.8Very high94 Ų9465.2 Ų65.241%0.40933%0.331SS..Hα-helixtrans-59-38.3175.4-68.7173.3-174.6168.50111.6Y431 A478 S479 E480 S486Y431-K482 HydrophobicContact CD1-CB 4.1Å; Y431-K482 HydrophobicContact CD1-CD 4.17Å; Y431-K482 HydrophobicContact CE1-CD 4.37Å; Y431-K482 HydrophobicContact CG-CB 4.39Å; A478-K482 WeakPolarHBondContact O-CG 3.34Å; A478-K482 PolarHBondContact O-N 3.44Å; S479-K482 PolarHBondContact O-N 2.9Å; E480-K482 PolarHBondContact O-N 3.17Å; K482-S486 WeakPolarHBondContact O-CB 3.05Å; K482-S486 PolarHBondContact O-N 3.33Å; K482-S486 PolarHBondContact O-OG 2.81Å
483T89.9Confident93.8Very high4 Ų467 Ų673%0.02534%0.341CS..Hα-helixtrans-68.3-37.3178.2-62.90000112.1R428 Y431 R432 M435 S479 E480 W481 S486 L487R428-T483 VanDerWaalsContact CZ-O 3.26Å; R428-T483 PolarHBondContact NE-O 3.38Å; R428-T483 VanDerWaalsContact NH2-CG2 3.35Å; R428-T483 PolarHBondContact NH2-O 3.19Å; Y431-T483 PolarHBondContact O-OG1 3.43Å; R432-T483 HydrophobicContact CB-CG2 4.37Å; R432-T483 HydrophobicContact CG-CG2 4.32Å; M435-T483 HydrophobicContact SD-CG2 3.93Å; S479-T483 PolarHBondContact O-N 3.01Å; S479-T483 VanDerWaalsContact O-N 3.11Å; S479-T483 PolarHBondContact O-OG1 3.02Å; E480-T483 CarbonylContact O-C 3.56Å; E480-T483 WeakPolarHBondContact O-CA 3.5Å; E480-T483 WeakPolarHBondContact O-CB 3.36Å; E480-T483 PolarHBondContact O-N 3.11Å; W481-T483 PolarHBondContact O-N 3.34Å; T483-S486 WeakPolarHBondContact CA-OG 3.36Å; T483-S486 PolarHBondContact O-OG 3.39Å; T483-L487 PolarHBondContact O-N 2.04Å
484Q92.8Very high93.5Very high107 Ų10764.7 Ų64.750%0.533%0.329SS..Hα-helixtrans-76.2-44176.3-65.3-63.60.400112.1E480 W481 S486 L487 A488E480-Q484 HydrophobicContact CG-CG 4.46Å; E480-Q484 WeakPolarHBondContact O-CG 3.33Å; E480-Q484 PolarHBondContact O-N 3.35Å; W481-Q484 PolarHBondContact O-N 2.68Å; W481-Q484 VanDerWaalsContact O-N 3.16Å; Q484-S486 VanDerWaalsContact C-N 3.31Å; Q484-S486 PolarHBondContact O-N 3.02Å; Q484-L487 WeakPolarHBondContact O-CB 3.45Å; Q484-L487 PolarHBondContact O-N 3.32Å; Q484-A488 PolarHBondContact O-N 3.16Å
485A94.8Very high93.2Very high42 Ų4264.1 Ų64.135%0.34733%0.327SS..Hα-helixtrans-58.1-43.1176.700000111.8W481 L487 A488 L489W481-A485 HydrophobicContact CH2-CB 4.45Å; W481-A485 HydrophobicContact CZ2-CB 4.34Å; W481-A485 VanDerWaalsContact O-CB 3.31Å; W481-A485 WeakPolarHBondContact O-CB 3.42Å; W481-A485 PolarHBondContact O-N 3.33Å; A485-L487 VanDerWaalsContact C-N 3.31Å; A485-L487 PolarHBondContact O-N 2.96Å; A485-A488 PolarHBondContact O-N 3.38Å; A485-L489 PolarHBondContact O-N 3.34Å
486S93.4Very high93.2Very high7 Ų762.4 Ų62.45%0.04933%0.327CS..Hα-helixtrans-67.3-26.8175.253.90000113.9R428 K482 T483 Q484 L490R428-S486 WeakPolarHBondContact CD-OG 3.37Å; R428-S486 VanDerWaalsContact CG-OG 3.29Å; R428-S486 WeakPolarHBondContact CG-OG 3.07Å; R428-S486 PolarHBondContact NE-OG 2.99Å; K482-S486 WeakPolarHBondContact O-CB 3.05Å; K482-S486 PolarHBondContact O-N 3.33Å; K482-S486 PolarHBondContact O-OG 2.81Å; T483-S486 WeakPolarHBondContact CA-OG 3.36Å; T483-S486 PolarHBondContact O-OG 3.39Å; Q484-S486 VanDerWaalsContact C-N 3.31Å; Q484-S486 PolarHBondContact O-N 3.02Å; S486-L490 PolarHBondContact O-N 3Å
487L90.1Very high93.2Very high53 Ų5360.8 Ų60.828%0.27732%0.321SS..Hα-helixtrans-71.6-43.8170.9-178.456.7000111.4T483 Q484 A485 L489 L490 N491T483-L487 PolarHBondContact O-N 2.04Å; Q484-L487 WeakPolarHBondContact O-CB 3.45Å; Q484-L487 PolarHBondContact O-N 3.32Å; A485-L487 VanDerWaalsContact C-N 3.31Å; A485-L487 PolarHBondContact O-N 2.96Å; L487-L489 VanDerWaalsContact C-N 3.28Å; L487-L489 PolarHBondContact O-N 3.17Å; L487-L490 HydrophobicContact CD1-CD2 4.39Å; L487-L490 WeakPolarHBondContact O-CB 3.23Å; L487-L490 PolarHBondContact O-N 3.49Å; L487-N491 PolarHBondContact O-N 3.04Å
488A92.1Very high92.9Very high58 Ų5857 Ų5748%0.47930%0.304SS..Hα-helixtrans-59.7-41.9176.600000111Q484 A485 L490 N491 Q492Q484-A488 PolarHBondContact O-N 3.16Å; A485-A488 PolarHBondContact O-N 3.38Å; A488-L490 PolarHBondContact O-N 3.5Å; A488-N491 PolarHBondContact O-N 3.48Å; A488-Q492 WeakPolarHBondContact O-CB 3.19Å; A488-Q492 PolarHBondContact O-N 3.39Å
489L93.3Very high92.6Very high94 Ų9456.3 Ų56.349%0.49230%0.301SS..Hα-helixtrans-60.7-42.8174.5-177.365.5000112.7A485 L487 Q492 T493A485-L489 PolarHBondContact O-N 3.34Å; L487-L489 VanDerWaalsContact C-N 3.28Å; L487-L489 PolarHBondContact O-N 3.17Å; L489-Q492 PolarHBondContact O-N 3.41Å; L489-T493 WeakPolarHBondContact O-CB 3.39Å; L489-T493 PolarHBondContact O-N 3.49Å; L489-T493 PolarHBondContact O-OG1 3.33Å
490L90.1Very high92.6Very high10 Ų1059 Ų595%0.05232%0.32CS..Hα-helixtrans-59.7-52.5175.1174.767.3000110.7T421 I424 S486 L487 A488 Q492 T493 Q494T421-L490 HydrophobicContact CG2-CD1 4.42Å; I424-L490 HydrophobicContact CB-CD1 3.87Å; I424-L490 HydrophobicContact CD1-CD1 4.21Å; I424-L490 HydrophobicContact CG2-CB 3.97Å; I424-L490 HydrophobicContact CG2-CD1 3.75Å; I424-L490 HydrophobicContact CG2-CG 4.4Å; S486-L490 PolarHBondContact O-N 3Å; L487-L490 HydrophobicContact CD1-CD2 4.39Å; L487-L490 WeakPolarHBondContact O-CB 3.23Å; L487-L490 PolarHBondContact O-N 3.49Å; A488-L490 PolarHBondContact O-N 3.5Å; L490-Q492 VanDerWaalsContact C-N 3.29Å; L490-Q492 PolarHBondContact O-N 3.32Å; L490-T493 PolarHBondContact O-N 3.46Å; L490-Q494 HydrophobicContact CD1-CG 4.29Å; L490-Q494 WeakPolarHBondContact O-CB 3.44Å; L490-Q494 VanDerWaalsContact O-CG 3.3Å; L490-Q494 WeakPolarHBondContact O-CG 3.47Å; L490-Q494 PolarHBondContact O-N 3.46Å
491N90.7Very high92.5Very high58 Ų5856.2 Ų56.231%0.3131%0.309SS..Hα-helixtrans-60.1-39.8-179.4-67.3-11.4000111.5L487 A488 Q494 N495L487-N491 PolarHBondContact O-N 3.04Å; A488-N491 PolarHBondContact O-N 3.48Å; N491-Q494 PolarHBondContact O-N 3.33Å; N491-N495 WeakPolarHBondContact O-CB 3.48Å; N491-N495 VanDerWaalsContact O-CG 3.29Å; N491-N495 PolarHBondContact O-N 2.83Å; N491-N495 PolarHBondContact O-ND2 3.23Å
492Q94.3Very high92.3Very high116 Ų11650 Ų5054%0.54229%0.289SS..Hα-helixtrans-66.8-44.1177.7-170.960.328.300111.8A488 L489 L490 Q494 N495 V496A488-Q492 WeakPolarHBondContact O-CB 3.19Å; A488-Q492 PolarHBondContact O-N 3.39Å; L489-Q492 PolarHBondContact O-N 3.41Å; L490-Q492 VanDerWaalsContact C-N 3.29Å; L490-Q492 PolarHBondContact O-N 3.32Å; Q492-Q494 VanDerWaalsContact C-N 3.31Å; Q492-Q494 PolarHBondContact O-N 2.91Å; Q492-N495 PolarHBondContact O-N 2.87Å; Q492-V496 WeakPolarHBondContact O-CG2 3.05Å; Q492-V496 PolarHBondContact O-N 3.31Å
493T92.8Very high92.2Very high42 Ų4250.7 Ų50.726%0.25830%0.297SS..Hα-helixtrans-60.4-44.4176.9-55.30000110.7L420 I424 L489 L490 V496 I497L420-T493 HydrophobicContact CD1-CG2 4.47Å; I424-T493 HydrophobicContact CD1-CG2 4.01Å; L489-T493 WeakPolarHBondContact O-CB 3.39Å; L489-T493 PolarHBondContact O-N 3.49Å; L489-T493 PolarHBondContact O-OG1 3.33Å; L490-T493 PolarHBondContact O-N 3.46Å; T493-V496 PolarHBondContact O-N 3.25Å; T493-I497 HydrophobicContact CG2-CD1 4.22Å; T493-I497 VanDerWaalsContact O-CG1 3.31Å; T493-I497 WeakPolarHBondContact O-CG1 3.03Å; T493-I497 PolarHBondContact O-N 3.5Å; T493-I497 VanDerWaalsContact O-N 3.09Å
494Q91.3Very high92.3Very high3 Ų352.8 Ų52.81%0.01431%0.314CS..Hα-helixtrans-60.2-47.9175.8-77.7178.7-17.700112.3Y417 T421 L490 N491 Q492 V496 I497 I498Y417-Q494 HydrophobicContact CD2-CB 4.33Å; Y417-Q494 HydrophobicContact CD2-CG 4.19Å; Y417-Q494 HydrophobicContact CE2-CB 3.55Å; Y417-Q494 HydrophobicContact CE2-CG 3.46Å; Y417-Q494 VanDerWaalsContact CE2-CG 3.46Å; Y417-Q494 PolarHBondContact OH-NE2 3.04Å; Y417-Q494 VanDerWaalsContact OH-NE2 3.1Å; Y417-Q494 PolarHBondContact OH-OE1 3.04Å; T421-Q494 PolarHBondContact OG1-NE2 3.46Å; L490-Q494 HydrophobicContact CD1-CG 4.29Å; L490-Q494 WeakPolarHBondContact O-CB 3.44Å; L490-Q494 VanDerWaalsContact O-CG 3.3Å; L490-Q494 WeakPolarHBondContact O-CG 3.47Å; L490-Q494 PolarHBondContact O-N 3.46Å; N491-Q494 PolarHBondContact O-N 3.33Å; Q492-Q494 VanDerWaalsContact C-N 3.31Å; Q492-Q494 PolarHBondContact O-N 2.91Å; Q494-V496 VanDerWaalsContact C-N 3.31Å; Q494-V496 PolarHBondContact O-N 3.47Å; Q494-I497 PolarHBondContact O-N 2.93Å; Q494-I498 WeakPolarHBondContact O-CD1 3.45Å; Q494-I498 WeakPolarHBondContact O-CG1 3.23Å; Q494-I498 PolarHBondContact O-N 2.98Å
495N91.5Very high92.3Very high78 Ų7847.7 Ų47.742%0.41729%0.291SS..Hα-helixtrans-60.5-38.9176.7-77.4-23.9000112.3N491 Q492 I498 G499 Y534N491-N495 WeakPolarHBondContact O-CB 3.48Å; N491-N495 VanDerWaalsContact O-CG 3.29Å; N491-N495 PolarHBondContact O-N 2.83Å; N491-N495 PolarHBondContact O-ND2 3.23Å; Q492-N495 PolarHBondContact O-N 2.87Å; N495-I498 PolarHBondContact O-N 3.16Å; N495-G499 PolarHBondContact O-N 3.28Å; N495-Y534 PolarHBondContact OD1-OH 3.25Å
496V94.6Very high92.1Very high90 Ų9046.7 Ų46.755%0.54528%0.281SS..Hα-helixtrans-63.8-44.3176.4170.10000111.2Q492 T493 Q494 I498 G499 S500Q492-V496 WeakPolarHBondContact O-CG2 3.05Å; Q492-V496 PolarHBondContact O-N 3.31Å; T493-V496 PolarHBondContact O-N 3.25Å; Q494-V496 VanDerWaalsContact C-N 3.31Å; Q494-V496 PolarHBondContact O-N 3.47Å; V496-I498 PolarHBondContact O-N 3.46Å; V496-G499 PolarHBondContact O-N 3Å; V496-S500 WeakPolarHBondContact O-CB 3.32Å; V496-S500 PolarHBondContact O-N 3.17Å; V496-S500 PolarHBondContact O-OG 2.99Å
497I92.8Very high92.1Very high10 Ų1051.5 Ų51.55%0.05131%0.306CS..Hα-helixtrans-60.3-49.4178.1-64.8161000110.3L416 L420 T493 Q494 S500 G501L416-I497 HydrophobicContact CD2-CG1 4.39Å; L416-I497 HydrophobicContact CD2-CG2 4.29Å; L420-I497 HydrophobicContact CB-CD1 4.29Å; L420-I497 HydrophobicContact CD1-CD1 3.52Å; L420-I497 HydrophobicContact CD1-CG1 4.34Å; T493-I497 HydrophobicContact CG2-CD1 4.22Å; T493-I497 VanDerWaalsContact O-CG1 3.31Å; T493-I497 WeakPolarHBondContact O-CG1 3.03Å; T493-I497 PolarHBondContact O-N 3.5Å; T493-I497 VanDerWaalsContact O-N 3.09Å; Q494-I497 PolarHBondContact O-N 2.93Å; I497-S500 PolarHBondContact O-N 3.02Å; I497-S500 PolarHBondContact O-OG 2.89Å; I497-G501 PolarHBondContact O-N 2.93Å
498I90Very high92.2Very high22 Ų2251.2 Ų51.211%0.11330%0.304CS..Hα-helixtrans-68.1-42.2-178.3-65.8152.9000111.3Y417 Q494 N495 V496 S500 G501 L502 Y534Y417-I498 HydrophobicContact CD2-CD1 3.93Å; Y417-I498 HydrophobicContact CD2-CG1 4.03Å; Y417-I498 HydrophobicContact CE2-CD1 3.56Å; Y417-I498 HydrophobicContact CE2-CG1 4.18Å; Q494-I498 WeakPolarHBondContact O-CD1 3.45Å; Q494-I498 WeakPolarHBondContact O-CG1 3.23Å; Q494-I498 PolarHBondContact O-N 2.98Å; N495-I498 PolarHBondContact O-N 3.16Å; V496-I498 PolarHBondContact O-N 3.46Å; I498-S500 VanDerWaalsContact C-N 3.26Å; I498-S500 PolarHBondContact O-N 3.26Å; I498-G501 PolarHBondContact O-N 3.06Å; I498-L502 VanDerWaalsContact O-CB 3.25Å; I498-L502 WeakPolarHBondContact O-CB 3.42Å; I498-L502 PolarHBondContact O-N 3.42Å; I498-Y534 HydrophobicContact CD1-CD1 3.89Å; I498-Y534 HydrophobicContact CD1-CD2 3Å; I498-Y534 HydrophobicContact CD1-CE1 3.87Å; I498-Y534 HydrophobicContact CD1-CE2 3.02Å; I498-Y534 HydrophobicContact CD1-CG 3.44Å; I498-Y534 VanDerWaalsContact CD1-CG 3.44Å; I498-Y534 VanDerWaalsContact CD1-CZ 3.43Å; I498-Y534 HydrophobicContact CG1-CD2 4.1Å; I498-Y534 HydrophobicContact CG1-CE2 4.43Å; I498-Y534 HydrophobicContact CG1-CG 4.32Å
499G92.1Very high92.2Very high38 Ų3848.4 Ų48.439%0.39228%0.281SS..Hα-helixtrans-57.5-42.2174.700000111.4N495 V496 L503N495-G499 PolarHBondContact O-N 3.28Å; V496-G499 PolarHBondContact O-N 3Å; G499-L503 WeakPolarHBondContact O-CB 3.31Å; G499-L503 PolarHBondContact O-N 2.89Å
500S93.1Very high92.1Very high65 Ų6545.7 Ų45.746%0.45527%0.272SS..Hα-helixtrans-67.5-42176.8750000113.1V496 I497 I498 L503 A504V496-S500 WeakPolarHBondContact O-CB 3.32Å; V496-S500 PolarHBondContact O-N 3.17Å; V496-S500 PolarHBondContact O-OG 2.99Å; I497-S500 PolarHBondContact O-N 3.02Å; I497-S500 PolarHBondContact O-OG 2.89Å; I498-S500 VanDerWaalsContact C-N 3.26Å; I498-S500 PolarHBondContact O-N 3.26Å; S500-L503 PolarHBondContact O-N 3.04Å; S500-A504 WeakPolarHBondContact O-CB 3.48Å; S500-A504 PolarHBondContact O-N 3.11Å
501G91.6Very high92.3Very high7 Ų751.2 Ų51.27%0.07229%0.293CS..Hα-helixtrans-67.4-41.9177.100000112.5I497 I498 G505I497-G501 PolarHBondContact O-N 2.93Å; I498-G501 PolarHBondContact O-N 3.06Å; G501-G505 PolarHBondContact O-N 2.85Å
502L91.4Very high92.3Very high52 Ų5249.8 Ų49.827%0.27228%0.284SS..Hα-helixtrans-63.6-44.9174.1-177.863.7000110.8I498 S506 I530I498-L502 VanDerWaalsContact O-CB 3.25Å; I498-L502 WeakPolarHBondContact O-CB 3.42Å; I498-L502 PolarHBondContact O-N 3.42Å; L502-S506 WeakPolarHBondContact O-CA 3.37Å; L502-S506 WeakPolarHBondContact O-CB 3.31Å; L502-S506 PolarHBondContact O-N 3.13Å; L502-S506 PolarHBondContact O-OG 3.18Å; L502-I530 HydrophobicContact CD1-CG2 4.46Å
503L93.4Very high92.2Very high108 Ų10846.1 Ų46.157%0.56527%0.27SS*.Hα-helixtrans-59.2-53.1176.3177.566.4000111.3G499 S500 G505 S506 L507G499-L503 WeakPolarHBondContact O-CB 3.31Å; G499-L503 PolarHBondContact O-N 2.89Å; S500-L503 PolarHBondContact O-N 3.04Å; L503-G505 PolarHBondContact O-N 3.21Å; L503-S506 PolarHBondContact O-N 2.76Å; L503-L507 HydrophobicContact CD1-CD1 3.83Å; L503-L507 HydrophobicContact CD1-CG 4.12Å; L503-L507 HydrophobicContact CG-CD1 3.96Å; L503-L507 WeakPolarHBondContact O-CB 3.47Å; L503-L507 VanDerWaalsContact O-CG 3.28Å; L503-L507 WeakPolarHBondContact O-CG 3.26Å; L503-L507 PolarHBondContact O-N 3.2Å
504A93.1Very high92.2Very high48 Ų4849.6 Ų49.640%0.39729%0.291SS..Hα-helixtrans-60.1-47.9-177.300000112S500 L508S500-A504 WeakPolarHBondContact O-CB 3.48Å; S500-A504 PolarHBondContact O-N 3.11Å; A504-L508 WeakPolarHBondContact O-CB 3.27Å; A504-L508 PolarHBondContact O-N 3.11Å; A504-L508 VanDerWaalsContact O-N 3.07Å
505G91.4Very high92.2Very high0 Ų053.3 Ų53.30%031%0.309CS..Hα-helixtrans-73.9-32.7-179.900000113.8G501 L503 L508 C509 F526G501-G505 PolarHBondContact O-N 2.85Å; L503-G505 PolarHBondContact O-N 3.21Å; G505-L508 PolarHBondContact O-N 3.37Å; G505-C509 VanDerWaalsContact O-CB 3.29Å; G505-C509 WeakPolarHBondContact O-CB 3.42Å; G505-C509 PolarHBondContact O-N 3.47Å; G505-F526 VanDerWaalsContact CA-CE1 3.46Å; G505-F526 VanDerWaalsContact CA-CZ 3.43Å
506S91.6Very high91.9Very high21 Ų2152.7 Ų52.715%0.14732%0.321CS..Hα-helixtrans-68-40.2174.9-61.40000111.4L502 L503 C509 A510L502-S506 WeakPolarHBondContact O-CA 3.37Å; L502-S506 WeakPolarHBondContact O-CB 3.31Å; L502-S506 PolarHBondContact O-N 3.13Å; L502-S506 PolarHBondContact O-OG 3.18Å; L503-S506 PolarHBondContact O-N 2.76Å; S506-C509 PolarHBondContact O-N 2.93Å; S506-A510 VanDerWaalsContact O-CB 3.24Å; S506-A510 WeakPolarHBondContact O-CB 3.43Å; S506-A510 PolarHBondContact O-N 2.88Å
507L93.7Very high91.5Very high109 Ų10954.8 Ų54.857%0.57132%0.323SS*.Hα-helixtrans-63.5-44.3173.7-74.2172.4000111.5L503 A510 Y511L503-L507 HydrophobicContact CD1-CD1 3.83Å; L503-L507 HydrophobicContact CD1-CG 4.12Å; L503-L507 HydrophobicContact CG-CD1 3.96Å; L503-L507 WeakPolarHBondContact O-CB 3.47Å; L503-L507 VanDerWaalsContact O-CG 3.28Å; L503-L507 WeakPolarHBondContact O-CG 3.26Å; L503-L507 PolarHBondContact O-N 3.2Å; L507-A510 PolarHBondContact O-N 3.36Å; L507-Y511 WeakPolarHBondContact O-CB 3.44Å; L507-Y511 PolarHBondContact O-N 3.22Å
508L92.1Very high91.4Very high46 Ų4656.1 Ų56.124%0.24133%0.328CS..Hα-helixtrans-63.4-42.1176.3-174.465.2000111.8W405 F406 I409 A504 G505 Y511 F512W405-L508 HydrophobicContact CB-CD2 4.12Å; F406-L508 HydrophobicContact CD1-CD2 4.45Å; F406-L508 HydrophobicContact CD2-CD2 4.33Å; F406-L508 HydrophobicContact CE1-CB 4.35Å; F406-L508 HydrophobicContact CE1-CD2 4.11Å; F406-L508 HydrophobicContact CE1-CG 4.27Å; F406-L508 HydrophobicContact CE2-CD2 3.96Å; F406-L508 HydrophobicContact CE2-CG 4.2Å; F406-L508 HydrophobicContact CZ-CB 4.24Å; F406-L508 HydrophobicContact CZ-CD2 3.85Å; F406-L508 HydrophobicContact CZ-CG 3.79Å; I409-L508 HydrophobicContact CD1-CD2 3.83Å; A504-L508 WeakPolarHBondContact O-CB 3.27Å; A504-L508 PolarHBondContact O-N 3.11Å; A504-L508 VanDerWaalsContact O-N 3.07Å; G505-L508 PolarHBondContact O-N 3.37Å; L508-Y511 PolarHBondContact O-N 3.49Å; L508-F512 HydrophobicContact CD1-CD2 4.18Å; L508-F512 HydrophobicContact CD1-CE2 3.62Å; L508-F512 HydrophobicContact CD1-CZ 4.36Å; L508-F512 HydrophobicContact CD2-CE2 4.36Å; L508-F512 HydrophobicContact CG-CD2 4.06Å; L508-F512 HydrophobicContact CG-CE2 3.77Å; L508-F512 WeakPolarHBondContact O-CD2 3.5Å; L508-F512 PolarHBondContact O-N 3.16Å; L508-F512 VanDerWaalsContact O-N 3.15Å
509C91.1Very high91.4Very high0 Ų059.2 Ų59.20%034%0.342CS..Hα-helixtrans-65.3-44.6176.4-1650000111.4F406 G505 S506 Y511 F512 V513 F523F406-C509 HydrophobicContact CE1-CB 3.97Å; F406-C509 HydrophobicContact CZ-CB 4.12Å; G505-C509 VanDerWaalsContact O-CB 3.29Å; G505-C509 WeakPolarHBondContact O-CB 3.42Å; G505-C509 PolarHBondContact O-N 3.47Å; S506-C509 PolarHBondContact O-N 2.93Å; C509-Y511 VanDerWaalsContact C-N 3.32Å; C509-Y511 PolarHBondContact O-N 2.88Å; C509-F512 PolarHBondContact O-N 3.44Å; C509-V513 VanDerWaalsContact O-CG2 3.31Å; C509-V513 WeakPolarHBondContact O-CG2 3.35Å; C509-V513 PolarHBondContact O-N 2.97Å; C509-F523 HydrophobicContact CB-CD2 4.28Å; C509-F523 VanDerWaalsContact SG-CA 3.6Å
510A92.3Very high91.4Very high37 Ų3760.8 Ų60.831%0.30634%0.344SS..Hα-helixtrans-60.3-42177.100000111.5S506 L507 F512 V513 T514S506-A510 VanDerWaalsContact O-CB 3.24Å; S506-A510 WeakPolarHBondContact O-CB 3.43Å; S506-A510 PolarHBondContact O-N 2.88Å; L507-A510 PolarHBondContact O-N 3.36Å; A510-F512 PolarHBondContact O-N 3.44Å; A510-V513 PolarHBondContact O-N 3.19Å; A510-T514 WeakPolarHBondContact O-CG2 3.44Å; A510-T514 PolarHBondContact O-N 3.15Å; A510-T514 PolarHBondContact O-OG1 3.35Å
511Y93.3Very high91.2Very high125 Ų12557.7 Ų57.749%0.4932%0.322SS..Hα-helixtrans-56.6-49.6173.8178.1-95.7000111.8L507 L508 C509 V513 T514 E515L507-Y511 WeakPolarHBondContact O-CB 3.44Å; L507-Y511 PolarHBondContact O-N 3.22Å; L508-Y511 PolarHBondContact O-N 3.49Å; C509-Y511 VanDerWaalsContact C-N 3.32Å; C509-Y511 PolarHBondContact O-N 2.88Å; Y511-V513 VanDerWaalsContact C-N 3.31Å; Y511-V513 PolarHBondContact O-N 3.25Å; Y511-T514 WeakPolarHBondContact CA-OG1 3.49Å; Y511-T514 PolarHBondContact O-N 3.48Å; Y511-T514 VanDerWaalsContact O-N 3.13Å; Y511-T514 PolarHBondContact O-OG1 3.13Å; Y511-E515 HydrophobicContact CD1-CG 4.43Å; Y511-E515 HydrophobicContact CE1-CG 3.93Å; Y511-E515 VanDerWaalsContact CE1-OE1 3.25Å; Y511-E515 WeakPolarHBondContact CE1-OE1 3.04Å; Y511-E515 PolarHBondContact O-N 3.35Å; Y511-E515 PolarHBondContact OH-OE1 3.19Å
512F91.8Very high91.2Very high28 Ų2857.8 Ų57.812%0.12332%0.321CS..Hα-helixtrans-68.4-27.4178.7-75.6-55.5000114.3F406 L508 C509 A510 G516 K517 F518F406-F512 AromaticContact CE2-CD2 3.9Å; F406-F512 HydrophobicContact CE2-CD2 3.9Å; F406-F512 AromaticContact CE2-CE2 4Å; F406-F512 HydrophobicContact CE2-CE2 4Å; F406-F512 HydrophobicContact CZ-CD2 4.01Å; F406-F512 HydrophobicContact CZ-CE2 4.42Å; L508-F512 HydrophobicContact CD1-CD2 4.18Å; L508-F512 HydrophobicContact CD1-CE2 3.62Å; L508-F512 HydrophobicContact CD1-CZ 4.36Å; L508-F512 HydrophobicContact CD2-CE2 4.36Å; L508-F512 HydrophobicContact CG-CD2 4.06Å; L508-F512 HydrophobicContact CG-CE2 3.77Å; L508-F512 WeakPolarHBondContact O-CD2 3.5Å; L508-F512 PolarHBondContact O-N 3.16Å; L508-F512 VanDerWaalsContact O-N 3.15Å; C509-F512 PolarHBondContact O-N 3.44Å; A510-F512 PolarHBondContact O-N 3.44Å; F512-G516 PolarHBondContact O-N 3.49Å; F512-K517 HydrophobicContact CD1-CB 4.43Å; F512-K517 HydrophobicContact CD1-CD 3.86Å; F512-K517 HydrophobicContact CE1-CD 4.19Å; F512-K517 PolarHBondContact O-N 2.87Å; F512-F518 HydrophobicContact CB-CD2 3.31Å; F512-F518 HydrophobicContact CB-CE2 3.63Å; F512-F518 HydrophobicContact CB-CG 4.15Å; F512-F518 HydrophobicContact CD2-CD2 4.32Å; F512-F518 AromaticContact CD2-CE2 3.78Å; F512-F518 HydrophobicContact CD2-CE2 3.78Å; F512-F518 HydrophobicContact CG-CD2 4.08Å; F512-F518 AromaticContact CG-CE2 3.86Å; F512-F518 HydrophobicContact CG-CE2 3.86Å; F512-F518 PolarHBondContact O-N 2.93Å
513V91.9Very high91.2Very high39 Ų3959.5 Ų59.524%0.23633%0.327CS..Hα-helixtrans-68.7-41.7169.8173.70000110.5C509 A510 Y511 E515 G516 F518C509-V513 VanDerWaalsContact O-CG2 3.31Å; C509-V513 WeakPolarHBondContact O-CG2 3.35Å; C509-V513 PolarHBondContact O-N 2.97Å; A510-V513 PolarHBondContact O-N 3.19Å; Y511-V513 VanDerWaalsContact C-N 3.31Å; Y511-V513 PolarHBondContact O-N 3.25Å; V513-E515 VanDerWaalsContact C-N 3.31Å; V513-E515 PolarHBondContact O-N 2.96Å; V513-G516 PolarHBondContact O-N 3.16Å; V513-F518 HydrophobicContact CG2-CB 3.89Å
514T91.4Very high91.1Very high116 Ų11655.9 Ų55.971%0.71231%0.309SS*.Hα-helixtrans-67.3-29.8175.856.50000113.3A510 Y511 G516A510-T514 WeakPolarHBondContact O-CG2 3.44Å; A510-T514 PolarHBondContact O-N 3.15Å; A510-T514 PolarHBondContact O-OG1 3.35Å; Y511-T514 WeakPolarHBondContact CA-OG1 3.49Å; Y511-T514 PolarHBondContact O-N 3.48Å; Y511-T514 VanDerWaalsContact O-N 3.13Å; Y511-T514 PolarHBondContact O-OG1 3.13Å; T514-G516 PolarHBondContact O-N 2.69Å
515E91.4Very high91.1Very high81 Ų8153.6 Ų53.638%0.37929%0.29SS..THydrogen-bonded Turntrans-77.2-3.1170.8-71.7-163.4154.100113.7Y511 V513 K517Y511-E515 HydrophobicContact CD1-CG 4.43Å; Y511-E515 HydrophobicContact CE1-CG 3.93Å; Y511-E515 VanDerWaalsContact CE1-OE1 3.25Å; Y511-E515 WeakPolarHBondContact CE1-OE1 3.04Å; Y511-E515 PolarHBondContact O-N 3.35Å; Y511-E515 PolarHBondContact OH-OE1 3.19Å; V513-E515 VanDerWaalsContact C-N 3.31Å; V513-E515 PolarHBondContact O-N 2.96Å; E515-K517 VanDerWaalsContact C-N 3.28Å; E515-K517 HydrophobicContact CB-CG 4.49Å; E515-K517 PolarHBondContact O-N 3.4Å; E515-K517 WeakPolarHBondContact OE2-CE 3.31Å; E515-K517 IonicContact OE2-NZ 3.99Å; E515-K517 PolarHBondContact OE2-NZ 2.85Å
516G85.8Confident91.1Very high65 Ų6553.6 Ų53.667%0.6729%0.29SS*.THydrogen-bonded Turntrans72.713.4-179.300000115.1F512 V513 T514F512-G516 PolarHBondContact O-N 3.49Å; V513-G516 PolarHBondContact O-N 3.16Å; T514-G516 PolarHBondContact O-N 2.69Å
517K86.7Confident91Very high134 Ų13453.4 Ų53.458%0.58329%0.291SS*.SBendtrans-82.9-24.6177.4-69.8177.5-176.41520113F512 E515F512-K517 HydrophobicContact CD1-CB 4.43Å; F512-K517 HydrophobicContact CD1-CD 3.86Å; F512-K517 HydrophobicContact CE1-CD 4.19Å; F512-K517 PolarHBondContact O-N 2.87Å; E515-K517 VanDerWaalsContact C-N 3.28Å; E515-K517 HydrophobicContact CB-CG 4.49Å; E515-K517 PolarHBondContact O-N 3.4Å; E515-K517 WeakPolarHBondContact OE2-CE 3.31Å; E515-K517 IonicContact OE2-NZ 3.99Å; E515-K517 PolarHBondContact OE2-NZ 2.85Å
518F90.1Very high90.9Very high38 Ų3850.2 Ų50.217%0.16728%0.276CS..SBendtrans-128.6159.3177.4-65.5-34.3000111.8F402 F406 F512 V513 D522F402-F518 HydrophobicContact CB-CZ 4.04Å; F402-F518 HydrophobicContact CD1-CD2 4.15Å; F402-F518 HydrophobicContact CD1-CE1 4.1Å; F402-F518 AromaticContact CD1-CE2 3.64Å; F402-F518 HydrophobicContact CD1-CE2 3.64Å; F402-F518 AromaticContact CD1-CZ 3.62Å; F402-F518 HydrophobicContact CD1-CZ 3.62Å; F402-F518 HydrophobicContact CE1-CD2 4.38Å; F402-F518 HydrophobicContact CE1-CE2 4.31Å; F402-F518 HydrophobicContact CE1-CZ 4.48Å; F402-F518 HydrophobicContact CG-CZ 4.18Å; F406-F518 AromaticContact CE2-CE2 3.8Å; F406-F518 HydrophobicContact CE2-CE2 3.8Å; F406-F518 HydrophobicContact CE2-CZ 4.38Å; F406-F518 HydrophobicContact CZ-CE2 4.1Å; F512-F518 HydrophobicContact CB-CD2 3.31Å; F512-F518 HydrophobicContact CB-CE2 3.63Å; F512-F518 HydrophobicContact CB-CG 4.15Å; F512-F518 HydrophobicContact CD2-CD2 4.32Å; F512-F518 AromaticContact CD2-CE2 3.78Å; F512-F518 HydrophobicContact CD2-CE2 3.78Å; F512-F518 HydrophobicContact CG-CD2 4.08Å; F512-F518 AromaticContact CG-CE2 3.86Å; F512-F518 HydrophobicContact CG-CE2 3.86Å; F512-F518 PolarHBondContact O-N 2.93Å; V513-F518 HydrophobicContact CG2-CB 3.89Å; F518-D522 HydrophobicContact CB-CB 4.02Å; F518-D522 HydrophobicContact CG-CB 4.48Å
519Q91.2Very high90.8Very high86 Ų8648.2 Ų48.240%0.40227%0.265SS..  trans-93.7166.4177.2-66.5-175.2-47.200111.8N284 G521 D522N284-Q519 PolarHBondContact ND2-OE1 2.88Å; N284-Q519 WeakPolarHBondContact OD1-CB 3.4Å; Q519-G521 PolarHBondContact O-N 3.27Å; Q519-D522 PolarHBondContact N-OD2 3.46Å; Q519-D522 VanDerWaalsContact O-CB 3.3Å; Q519-D522 WeakPolarHBondContact O-CB 3.45Å; Q519-D522 PolarHBondContact O-N 2.84Å
520V90.5Very high90.7Very high71 Ų7148.6 Ų48.643%0.4327%0.267SS..Hα-helixtrans-59.9-33.5179.6-175.70000112.1V283 T287 D522 F523V283-V520 HydrophobicContact CG1-CB 4.38Å; V283-V520 HydrophobicContact CG1-CG1 4.12Å; T287-V520 HydrophobicContact CG2-CG2 4.38Å; V520-D522 VanDerWaalsContact C-N 3.28Å; V520-D522 PolarHBondContact O-N 3.33Å; V520-F523 WeakPolarHBondContact O-CB 3.49Å; V520-F523 PolarHBondContact O-N 3.38Å
521G89.5Confident90.4Very high0 Ų051.3 Ų51.30%028%0.276CS..Hα-helixtrans-67.4-23.5176.300000114.3K280 N284 Q519 F523 V524 L525K280-G521 WeakPolarHBondContact CB-O 3.3Å; N284-G521 WeakPolarHBondContact OD1-CA 3.37Å; N284-G521 PolarHBondContact OD1-N 3.45Å; Q519-G521 PolarHBondContact O-N 3.27Å; G521-F523 VanDerWaalsContact C-N 3.32Å; G521-V524 PolarHBondContact O-N 3.24Å; G521-L525 PolarHBondContact O-N 3.48Å
522D91.4Very high90.2Very high10 Ų1046.6 Ų46.65%0.05326%0.258CS..Hα-helixtrans-66.6-35175.6-74.1-56.3000112.4K280 F402 F518 Q519 V520 L525 F526K280-D522 VanDerWaalsContact CD-OD1 3.31Å; K280-D522 WeakPolarHBondContact CD-OD1 3.46Å; K280-D522 WeakPolarHBondContact CE-OD1 3.3Å; K280-D522 IonicContact NZ-OD1 3.55Å; K280-D522 PolarHBondContact NZ-OD1 3.39Å; K280-D522 IonicContact NZ-OD2 2.66Å; F402-D522 HydrophobicContact CE1-CB 3.82Å; F402-D522 HydrophobicContact CZ-CB 3.94Å; F402-D522 WeakPolarHBondContact CZ-OD1 3.15Å; F518-D522 HydrophobicContact CB-CB 4.02Å; F518-D522 HydrophobicContact CG-CB 4.48Å; Q519-D522 PolarHBondContact N-OD2 3.46Å; Q519-D522 VanDerWaalsContact O-CB 3.3Å; Q519-D522 WeakPolarHBondContact O-CB 3.45Å; Q519-D522 PolarHBondContact O-N 2.84Å; V520-D522 VanDerWaalsContact C-N 3.28Å; V520-D522 PolarHBondContact O-N 3.33Å; D522-L525 WeakPolarHBondContact O-CB 3.24Å; D522-L525 PolarHBondContact O-N 3.23Å; D522-F526 PolarHBondContact O-N 3.49Å
523F91.4Very high90Very high88 Ų8845.5 Ų45.539%0.38625%0.254SS..Hα-helixtrans-63.2-44.5173.4177.3-95.9000111.4C509 V520 G521 F526 G527C509-F523 HydrophobicContact CB-CD2 4.28Å; C509-F523 VanDerWaalsContact SG-CA 3.6Å; V520-F523 WeakPolarHBondContact O-CB 3.49Å; V520-F523 PolarHBondContact O-N 3.38Å; G521-F523 VanDerWaalsContact C-N 3.32Å; F523-F526 PolarHBondContact O-N 3.44Å; F523-G527 PolarHBondContact O-N 2.87Å; F523-G527 VanDerWaalsContact O-N 3.13Å
524V91.9Very high89.7Confident32 Ų3245.7 Ų45.719%0.19425%0.25CS..Hα-helixtrans-67.2-39.2178.5-179.60000111.2Y279 V283 G521 F526 T528Y279-V524 HydrophobicContact CD1-CG1 3.39Å; Y279-V524 HydrophobicContact CE1-CG1 3.13Å; Y279-V524 HydrophobicContact CG-CG1 4.24Å; V283-V524 HydrophobicContact CG1-CG2 4.34Å; V283-V524 HydrophobicContact CG2-CB 4.38Å; V283-V524 HydrophobicContact CG2-CG1 4.32Å; V283-V524 HydrophobicContact CG2-CG2 4.17Å; G521-V524 PolarHBondContact O-N 3.24Å; V524-F526 PolarHBondContact O-N 3.03Å; V524-T528 HydrophobicContact CG1-CG2 4.21Å; V524-T528 WeakPolarHBondContact O-CB 3.29Å; V524-T528 WeakPolarHBondContact O-CG2 3.4Å; V524-T528 PolarHBondContact O-N 3.36Å; V524-T528 PolarHBondContact O-OG1 3.33Å
525L92.6Very high89.3Confident0 Ų041.9 Ų41.90%023%0.227CC..Hα-helixtrans-54.4-53.7172.6-174.386000110.8P276 I277 K280 Y397 F398 F402 G521 D522 G527 T528 Y529P276-L525 HydrophobicContact CB-CD1 3.66Å; P276-L525 HydrophobicContact CB-CG 4.45Å; P276-L525 VanDerWaalsContact O-CD1 3.29Å; P276-L525 WeakPolarHBondContact O-CD1 3.44Å; I277-L525 HydrophobicContact CB-CD1 4.45Å; I277-L525 HydrophobicContact CG1-CD1 4Å; K280-L525 HydrophobicContact CB-CB 4.12Å; K280-L525 HydrophobicContact CB-CD1 4.05Å; K280-L525 HydrophobicContact CD-CB 4.43Å; K280-L525 HydrophobicContact CD-CD1 4.48Å; K280-L525 HydrophobicContact CD-CD2 4.41Å; Y397-L525 HydrophobicContact CE1-CD2 3.93Å; F398-L525 HydrophobicContact CE1-CD2 4.43Å; F402-L525 HydrophobicContact CE2-CD2 3.41Å; F402-L525 VanDerWaalsContact CE2-CD2 3.41Å; F402-L525 HydrophobicContact CZ-CD2 3.47Å; F402-L525 VanDerWaalsContact CZ-CD2 3.47Å; G521-L525 PolarHBondContact O-N 3.48Å; D522-L525 WeakPolarHBondContact O-CB 3.24Å; D522-L525 PolarHBondContact O-N 3.23Å; L525-G527 PolarHBondContact O-N 3.38Å; L525-T528 PolarHBondContact O-N 3.04Å; L525-T528 PolarHBondContact O-OG1 3.45Å; L525-Y529 WeakPolarHBondContact O-CB 3.36Å; L525-Y529 PolarHBondContact O-N 3.03Å
526F91.9Very high88.9Confident0 Ų039.8 Ų39.80%022%0.22CC..Hα-helixtrans-59.3-49.8-176.5-179.9-98.7000111.6F398 F406 I410 G505 D522 F523 V524 T528 Y529 I530F398-F526 HydrophobicContact CD1-CD2 4.38Å; F398-F526 HydrophobicContact CE1-CB 4.45Å; F398-F526 AromaticContact CE1-CD2 3.71Å; F398-F526 HydrophobicContact CE1-CD2 3.71Å; F398-F526 HydrophobicContact CZ-CD2 4.02Å; F406-F526 AromaticContact CD1-CD2 3.93Å; F406-F526 HydrophobicContact CD1-CD2 3.93Å; F406-F526 AromaticContact CD1-CE2 3.75Å; F406-F526 HydrophobicContact CD1-CE2 3.75Å; F406-F526 HydrophobicContact CD1-CZ 4.46Å; F406-F526 HydrophobicContact CE1-CD2 4.35Å; F406-F526 HydrophobicContact CE1-CE2 4.38Å; I410-F526 HydrophobicContact CD1-CE2 4.44Å; G505-F526 VanDerWaalsContact CA-CE1 3.46Å; G505-F526 VanDerWaalsContact CA-CZ 3.43Å; D522-F526 PolarHBondContact O-N 3.49Å; F523-F526 PolarHBondContact O-N 3.44Å; V524-F526 PolarHBondContact O-N 3.03Å; F526-T528 PolarHBondContact O-N 3.23Å; F526-Y529 PolarHBondContact O-N 2.82Å; F526-I530 HydrophobicContact CD1-CD1 4.28Å; F526-I530 HydrophobicContact CD2-CD1 4.43Å; F526-I530 HydrophobicContact CE1-CD1 3.47Å; F526-I530 VanDerWaalsContact CE1-CD1 3.47Å; F526-I530 HydrophobicContact CE1-CG1 4.39Å; F526-I530 HydrophobicContact CE2-CD1 3.65Å; F526-I530 HydrophobicContact CE2-CG1 4.24Å; F526-I530 HydrophobicContact CZ-CD1 3.09Å; F526-I530 HydrophobicContact CZ-CG1 4.09Å; F526-I530 PolarHBondContact O-N 3.44Å
527G90Very high88.8Confident16 Ų1636.8 Ų36.817%0.16519%0.189CC..Hα-helixtrans-61.6-45.8179.800000113F523 L525 I531F523-G527 PolarHBondContact O-N 2.87Å; F523-G527 VanDerWaalsContact O-N 3.13Å; L525-G527 PolarHBondContact O-N 3.38Å; G527-I531 WeakPolarHBondContact O-CG1 3.44Å; G527-I531 PolarHBondContact O-N 3.49Å
528T90.1Very high88.7Confident43 Ų4333.3 Ų33.326%0.26418%0.177SC..Hα-helixtrans-69.5-37.2-179.556.20000112.9Y279 V524 L525 F526 Q532Y279-T528 HydrophobicContact CD1-CG2 3.62Å; Y279-T528 HydrophobicContact CE1-CG2 3.61Å; V524-T528 HydrophobicContact CG1-CG2 4.21Å; V524-T528 WeakPolarHBondContact O-CB 3.29Å; V524-T528 WeakPolarHBondContact O-CG2 3.4Å; V524-T528 PolarHBondContact O-N 3.36Å; V524-T528 PolarHBondContact O-OG1 3.33Å; L525-T528 PolarHBondContact O-N 3.04Å; L525-T528 PolarHBondContact O-OG1 3.45Å; F526-T528 PolarHBondContact O-N 3.23Å; T528-Q532 WeakPolarHBondContact O-CB 3.49Å; T528-Q532 PolarHBondContact O-N 3.31Å; T528-Q532 VanDerWaalsContact O-N 3.12Å
529Y90.7Very high88.3Confident3 Ų338.3 Ų38.31%0.01219%0.194CC..Hα-helixtrans-68.6-41.5179.2-156.9-67.5000111.8P276 S394 F398 L525 F526 I531 Q532 L533P276-Y529 HydrophobicContact CB-CD2 3.99Å; P276-Y529 HydrophobicContact CG-CD2 3.77Å; P276-Y529 HydrophobicContact CG-CE2 4.5Å; P276-Y529 HydrophobicContact CG-CG 4.41Å; S394-Y529 VanDerWaalsContact CB-CE1 3.48Å; S394-Y529 WeakPolarHBondContact OG-CE1 3.47Å; F398-Y529 AromaticContact CE2-CD1 3.77Å; F398-Y529 HydrophobicContact CE2-CD1 3.77Å; F398-Y529 HydrophobicContact CE2-CD2 4.32Å; F398-Y529 HydrophobicContact CE2-CE1 4.27Å; F398-Y529 AromaticContact CE2-CG 3.81Å; F398-Y529 HydrophobicContact CE2-CG 3.81Å; F398-Y529 HydrophobicContact CZ-CD1 4.49Å; F398-Y529 HydrophobicContact CZ-CG 4.14Å; L525-Y529 WeakPolarHBondContact O-CB 3.36Å; L525-Y529 PolarHBondContact O-N 3.03Å; F526-Y529 PolarHBondContact O-N 2.82Å; Y529-I531 PolarHBondContact O-N 2.77Å; Y529-Q532 WeakPolarHBondContact O-CB 3.15Å; Y529-Q532 PolarHBondContact O-N 3.4Å; Y529-L533 HydrophobicContact CD1-CD1 3.78Å; Y529-L533 HydrophobicContact CD1-CG 3.89Å; Y529-L533 HydrophobicContact CE1-CD1 3.79Å; Y529-L533 HydrophobicContact CE1-CD2 3.96Å; Y529-L533 HydrophobicContact CE1-CG 3.82Å; Y529-L533 WeakPolarHBondContact O-CG 3.39Å; Y529-L533 PolarHBondContact O-N 3.45Å
530I88.9Confident87.9Confident8 Ų835.5 Ų35.54%0.04118%0.181CC..Hα-helixtrans-60.9-45.5176.3-77.5-166.7000111.9L502 F526 Q532 L533 Y534L502-I530 HydrophobicContact CD1-CG2 4.46Å; F526-I530 HydrophobicContact CD1-CD1 4.28Å; F526-I530 HydrophobicContact CD2-CD1 4.43Å; F526-I530 HydrophobicContact CE1-CD1 3.47Å; F526-I530 VanDerWaalsContact CE1-CD1 3.47Å; F526-I530 HydrophobicContact CE1-CG1 4.39Å; F526-I530 HydrophobicContact CE2-CD1 3.65Å; F526-I530 HydrophobicContact CE2-CG1 4.24Å; F526-I530 HydrophobicContact CZ-CD1 3.09Å; F526-I530 HydrophobicContact CZ-CG1 4.09Å; F526-I530 PolarHBondContact O-N 3.44Å; I530-Q532 VanDerWaalsContact C-N 3.25Å; I530-Q532 PolarHBondContact O-N 3.41Å; I530-L533 PolarHBondContact O-N 3.26Å; I530-Y534 PolarHBondContact O-N 2.94Å
531I86.9Confident87.3Confident94 Ų9432.5 Ų32.548%0.48216%0.164SC..Hα-helixtrans-61.4-38.7178.2-67.1168.7000110.7G527 Y529 Y534 T535G527-I531 WeakPolarHBondContact O-CG1 3.44Å; G527-I531 PolarHBondContact O-N 3.49Å; Y529-I531 PolarHBondContact O-N 2.77Å; I531-Y534 PolarHBondContact O-N 3.05Å; I531-T535 PolarHBondContact O-N 3.4Å; I531-T535 PolarHBondContact O-OG1 3.05Å; I531-T535 VanDerWaalsContact O-OG1 3.1Å
532Q87.6Confident86.9Confident27 Ų2734.3 Ų34.313%0.12618%0.175CC..Hα-helixtrans-63.8-41.8177.1-174.7-179.7-45.800112.3N272 Q309 T528 Y529 I530 Y534 P536N272-Q532 VanDerWaalsContact CB-NE2 3.26Å; N272-Q532 PolarHBondContact O-NE2 3Å; N272-Q532 PolarHBondContact O-OE1 3.35Å; Q309-Q532 VanDerWaalsContact NE2-NE2 3.15Å; Q309-Q532 VanDerWaalsContact NE2-OE1 3.16Å; T528-Q532 WeakPolarHBondContact O-CB 3.49Å; T528-Q532 PolarHBondContact O-N 3.31Å; T528-Q532 VanDerWaalsContact O-N 3.12Å; Y529-Q532 WeakPolarHBondContact O-CB 3.15Å; Y529-Q532 PolarHBondContact O-N 3.4Å; I530-Q532 VanDerWaalsContact C-N 3.25Å; I530-Q532 PolarHBondContact O-N 3.41Å; Q532-Y534 VanDerWaalsContact C-N 3.33Å; Q532-P536 VanDerWaalsContact O-CD 3.22Å; Q532-P536 WeakPolarHBondContact O-CD 3.05Å
533L87.6Confident86.6Confident5 Ų536.5 Ų36.53%0.02618%0.183CC..Hα-helixtrans-66.3-34.7175.5-68.8173.3000112.7D390 S394 I410 M414 Y529 I530 P536 L537D390-L533 HydrophobicContact CB-CD2 3.84Å; S394-L533 VanDerWaalsContact OG-CD1 3.29Å; S394-L533 WeakPolarHBondContact OG-CD1 3.5Å; I410-L533 HydrophobicContact CG2-CD1 4.29Å; M414-L533 HydrophobicContact CE-CB 3.49Å; M414-L533 VanDerWaalsContact CE-CB 3.49Å; M414-L533 HydrophobicContact CE-CD1 3.78Å; M414-L533 HydrophobicContact CE-CG 4.3Å; Y529-L533 HydrophobicContact CD1-CD1 3.78Å; Y529-L533 HydrophobicContact CD1-CG 3.89Å; Y529-L533 HydrophobicContact CE1-CD1 3.79Å; Y529-L533 HydrophobicContact CE1-CD2 3.96Å; Y529-L533 HydrophobicContact CE1-CG 3.82Å; Y529-L533 WeakPolarHBondContact O-CG 3.39Å; Y529-L533 PolarHBondContact O-N 3.45Å; I530-L533 PolarHBondContact O-N 3.26Å; L533-P536 WeakPolarHBondContact O-CD 3.31Å; L533-L537 WeakPolarHBondContact O-CD1 3.45Å
534Y85.4Confident86Confident43 Ų4333.5 Ų33.517%0.16917%0.169CC..Hα-helixtrans-67.7-41.5-179.5164.3-132.5000113.1Y417 N495 I498 I530 I531 Q532 L537 N538Y417-Y534 HydrophobicContact CE2-CD2 4.08Å; Y417-Y534 AromaticContact CE2-CE2 3.87Å; Y417-Y534 HydrophobicContact CE2-CE2 3.87Å; Y417-Y534 AromaticContact CZ-CE2 3.99Å; Y417-Y534 WeakPolarHBondContact OH-CE2 3.28Å; N495-Y534 PolarHBondContact OD1-OH 3.25Å; I498-Y534 HydrophobicContact CD1-CD1 3.89Å; I498-Y534 HydrophobicContact CD1-CD2 3Å; I498-Y534 HydrophobicContact CD1-CE1 3.87Å; I498-Y534 HydrophobicContact CD1-CE2 3.02Å; I498-Y534 HydrophobicContact CD1-CG 3.44Å; I498-Y534 VanDerWaalsContact CD1-CG 3.44Å; I498-Y534 VanDerWaalsContact CD1-CZ 3.43Å; I498-Y534 HydrophobicContact CG1-CD2 4.1Å; I498-Y534 HydrophobicContact CG1-CE2 4.43Å; I498-Y534 HydrophobicContact CG1-CG 4.32Å; I530-Y534 PolarHBondContact O-N 2.94Å; I531-Y534 PolarHBondContact O-N 3.05Å; Q532-Y534 VanDerWaalsContact C-N 3.33Å; Y534-L537 WeakPolarHBondContact O-CA 3.49Å; Y534-L537 VanDerWaalsContact O-CB 3.27Å; Y534-L537 WeakPolarHBondContact O-CB 3.28Å; Y534-L537 PolarHBondContact O-N 3.03Å; Y534-N538 HydrophobicContact CE2-CB 3.97Å; Y534-N538 PolarHBondContact O-N 3.44Å; Y534-N538 VanDerWaalsContact O-N 3.17Å
535T84Confident85.3Confident35 Ų3533.2 Ų33.222%0.21517%0.165CC..Hα-helixtrans-52.1-49.2-170.5-630000113.9G312 I531 L537G312-T535 WeakPolarHBondContact O-CG2 3.19Å; G312-T535 PolarHBondContact O-OG1 3.45Å; I531-T535 PolarHBondContact O-N 3.4Å; I531-T535 PolarHBondContact O-OG1 3.05Å; I531-T535 VanDerWaalsContact O-OG1 3.1Å; T535-L537 VanDerWaalsContact C-N 3.31Å; T535-L537 PolarHBondContact O-N 2.91Å
536P82.6Confident84.6Confident37 Ų3736.6 Ų36.624%0.2418%0.182CC..Hα-helixtrans-74.9-20.417833.2-39.1000113.4T387 Q532 L533 W539 F540T387-P536 HydrophobicContact CG2-CB 3.43Å; T387-P536 VanDerWaalsContact CG2-CB 3.43Å; T387-P536 HydrophobicContact CG2-CG 3.68Å; Q532-P536 VanDerWaalsContact O-CD 3.22Å; Q532-P536 WeakPolarHBondContact O-CD 3.05Å; L533-P536 WeakPolarHBondContact O-CD 3.31Å; P536-W539 PolarHBondContact O-N 3.43Å; P536-F540 PolarHBondContact O-N 3.14Å
537L84Confident84.2Confident2 Ų237 Ų371%0.0118%0.184CC..Hα-helixtrans-69.7-31.7175.7-78.9167.7000112.9I391 M414 Y417 L418 L533 Y534 T535 W539 F540I391-L537 HydrophobicContact CD1-CD1 4.45Å; I391-L537 HydrophobicContact CD1-CD2 4.27Å; M414-L537 HydrophobicContact CE-CD1 4.32Å; M414-L537 HydrophobicContact SD-CD1 3.24Å; M414-L537 WeakPolarHBondContact SD-CD1 3.36Å; Y417-L537 HydrophobicContact CD1-CB 4.09Å; Y417-L537 HydrophobicContact CD1-CD1 4.35Å; Y417-L537 HydrophobicContact CD1-CD2 4.22Å; Y417-L537 HydrophobicContact CD1-CG 4.48Å; Y417-L537 HydrophobicContact CE1-CB 3.55Å; Y417-L537 HydrophobicContact CE1-CD2 4.31Å; Y417-L537 HydrophobicContact CE1-CG 4.39Å; Y417-L537 PolarHBondContact OH-O 2.98Å; L418-L537 HydrophobicContact CD1-CD2 4.48Å; L418-L537 HydrophobicContact CD2-CD2 3.45Å; L418-L537 VanDerWaalsContact CD2-CD2 3.45Å; L418-L537 HydrophobicContact CG-CD2 3.96Å; L533-L537 WeakPolarHBondContact O-CD1 3.45Å; Y534-L537 WeakPolarHBondContact O-CA 3.49Å; Y534-L537 VanDerWaalsContact O-CB 3.27Å; Y534-L537 WeakPolarHBondContact O-CB 3.28Å; Y534-L537 PolarHBondContact O-N 3.03Å; T535-L537 VanDerWaalsContact C-N 3.31Å; T535-L537 PolarHBondContact O-N 2.91Å; L537-W539 PolarHBondContact O-N 3.32Å; L537-F540 WeakPolarHBondContact O-CB 3.35Å; L537-F540 PolarHBondContact O-N 3.33Å
538N83.7Confident83.5Confident61 Ų6137.7 Ų37.733%0.32618%0.183SC..Hα-helixtrans-58.5-36.2174.3-169.816.9000112.1Y417 Y534 F540Y417-N538 VanDerWaalsContact OH-CA 3.29Å; Y417-N538 WeakPolarHBondContact OH-CA 3.39Å; Y417-N538 PolarHBondContact OH-N 3.38Å; Y534-N538 HydrophobicContact CE2-CB 3.97Å; Y534-N538 PolarHBondContact O-N 3.44Å; Y534-N538 VanDerWaalsContact O-N 3.17Å; N538-F540 VanDerWaalsContact C-N 3.31Å; N538-F540 PolarHBondContact O-N 3.11Å
539W83.1Confident82.8Confident143 Ų14340 Ų4054%0.54219%0.193SC..THydrogen-bonded Turntrans-81.1-10.6177.4-64.894.1000113.4P536 L537 G541 T542 Y543P536-W539 PolarHBondContact O-N 3.43Å; L537-W539 PolarHBondContact O-N 3.32Å; W539-G541 PolarHBondContact O-N 3.15Å; W539-T542 WeakPolarHBondContact O-CA 3.46Å; W539-T542 WeakPolarHBondContact O-CB 3.16Å; W539-T542 PolarHBondContact O-N 3.25Å; W539-Y543 HydrophobicContact CB-CD2 4.02Å; W539-Y543 HydrophobicContact CB-CE2 3.53Å; W539-Y543 VanDerWaalsContact O-CD2 3.26Å; W539-Y543 WeakPolarHBondContact O-CD2 3.28Å; W539-Y543 PolarHBondContact O-N 3.39Å
540F82.3Confident82.5Confident28 Ų2840.2 Ų40.212%0.12320%0.195CC..Hα-helixtrans-59.9-43.4-175.6-168.2-89.4000112.7I384 L418 I422 P536 L537 N538 T542 Y543 Y544I384-F540 HydrophobicContact CG1-CE2 4.25Å; L418-F540 HydrophobicContact CD2-CD1 3.8Å; L418-F540 HydrophobicContact CD2-CD2 4.22Å; L418-F540 HydrophobicContact CD2-CE1 3.86Å; L418-F540 HydrophobicContact CD2-CE2 4.27Å; L418-F540 HydrophobicContact CD2-CG 3.99Å; L418-F540 HydrophobicContact CD2-CZ 4.09Å; I422-F540 HydrophobicContact CD1-CE1 4.31Å; I422-F540 HydrophobicContact CG1-CE1 4.37Å; P536-F540 PolarHBondContact O-N 3.14Å; L537-F540 WeakPolarHBondContact O-CB 3.35Å; L537-F540 PolarHBondContact O-N 3.33Å; N538-F540 VanDerWaalsContact C-N 3.31Å; N538-F540 PolarHBondContact O-N 3.11Å; F540-T542 PolarHBondContact O-N 3.43Å; F540-Y543 PolarHBondContact O-N 3.26Å; F540-Y544 WeakPolarHBondContact O-CB 3.32Å; F540-Y544 PolarHBondContact O-N 3.18Å
541G78.1Confident82Confident7 Ų740 Ų407%0.07219%0.194CC..Hα-helixtrans-62.3-29.5176.200000113.1W539W539-G541 PolarHBondContact O-N 3.15Å
542T81.4Confident81.5Confident38 Ų3837.7 Ų37.723%0.23318%0.182CC..Hα-helixtrans-75.2-45.7172.9-66.60000111.3W539 F540 Y544 R545 M546W539-T542 WeakPolarHBondContact O-CA 3.46Å; W539-T542 WeakPolarHBondContact O-CB 3.16Å; W539-T542 PolarHBondContact O-N 3.25Å; F540-T542 PolarHBondContact O-N 3.43Å; T542-Y544 VanDerWaalsContact C-N 3.32Å; T542-Y544 PolarHBondContact O-N 2.77Å; T542-R545 PolarHBondContact O-N 2.7Å; T542-M546 HydrophobicContact CG2-CE 3.52Å; T542-M546 HydrophobicContact CG2-CG 4.3Å; T542-M546 HydrophobicContact CG2-SD 3.83Å; T542-M546 WeakPolarHBondContact O-CG 3.49Å; T542-M546 PolarHBondContact O-N 3.28Å
543Y83.6Confident81.1Confident56 Ų5637.7 Ų37.722%0.2218%0.183CC..Hα-helixtrans-59.8-41175.5-68.1-50.6000112.6Y379 S383 W539 F540 R545 M546 I547Y379-Y543 AromaticContact CD1-CD1 3.49Å; Y379-Y543 HydrophobicContact CD1-CD1 3.49Å; Y379-Y543 VanDerWaalsContact CD1-CD1 3.49Å; Y379-Y543 AromaticContact CD1-CE1 3.57Å; Y379-Y543 HydrophobicContact CD1-CE1 3.57Å; Y379-Y543 AromaticContact CE1-CD1 3.96Å; Y379-Y543 HydrophobicContact CE1-CD1 3.96Å; Y379-Y543 AromaticContact CE1-CE1 3.86Å; Y379-Y543 HydrophobicContact CE1-CE1 3.86Å; Y379-Y543 AromaticContact CG-CD1 3.96Å; Y379-Y543 HydrophobicContact CG-CD1 3.96Å; Y379-Y543 HydrophobicContact CG-CE1 4.46Å; S383-Y543 PolarHBondContact OG-OH 3.45Å; W539-Y543 HydrophobicContact CB-CD2 4.02Å; W539-Y543 HydrophobicContact CB-CE2 3.53Å; W539-Y543 VanDerWaalsContact O-CD2 3.26Å; W539-Y543 WeakPolarHBondContact O-CD2 3.28Å; W539-Y543 PolarHBondContact O-N 3.39Å; F540-Y543 PolarHBondContact O-N 3.26Å; Y543-R545 VanDerWaalsContact C-N 3.35Å; Y543-R545 PolarHBondContact O-N 2.98Å; Y543-M546 HydrophobicContact CD1-SD 4.4Å; Y543-M546 PolarHBondContact O-N 3.03Å; Y543-I547 WeakPolarHBondContact O-CB 3.19Å; Y543-I547 WeakPolarHBondContact O-CD1 3.12Å; Y543-I547 VanDerWaalsContact O-CG1 3.23Å; Y543-I547 WeakPolarHBondContact O-CG1 3.31Å; Y543-I547 PolarHBondContact O-N 3.24Å
544Y79.6Confident80.9Confident25 Ų2537.6 Ų37.610%0.09818%0.183CC..Hα-helixtrans-52.4-53.2175.5178.7-98.8000111.2W232 T425 F540 T542 I547 Q548W232-Y544 HydrophobicContact CZ2-CE2 4.16Å; W232-Y544 AromaticContact NE1-CE2 3.72Å; T425-Y544 HydrophobicContact CG2-CD1 4.38Å; F540-Y544 WeakPolarHBondContact O-CB 3.32Å; F540-Y544 PolarHBondContact O-N 3.18Å; T542-Y544 VanDerWaalsContact C-N 3.32Å; T542-Y544 PolarHBondContact O-N 2.77Å; Y544-I547 PolarHBondContact O-N 3Å; Y544-Q548 VanDerWaalsContact CE1-CD 3.41Å; Y544-Q548 HydrophobicContact CE1-CG 4.23Å; Y544-Q548 VanDerWaalsContact CE1-OE1 3.24Å; Y544-Q548 WeakPolarHBondContact O-CG 3.21Å; Y544-Q548 PolarHBondContact O-N 3.4Å; Y544-Q548 PolarHBondContact OH-NE2 2.78Å
545R76.4Confident80.6Confident27 Ų2738.4 Ų38.410%0.10219%0.188CC..Hα-helixtrans-66.3-41178.7-66.6-176.5-60.7169.46.5112.7T425 T542 Y543 I547 Q548 N549T425-R545 HydrophobicContact CG2-CG 3.76Å; T542-R545 PolarHBondContact O-N 2.7Å; Y543-R545 VanDerWaalsContact C-N 3.35Å; Y543-R545 PolarHBondContact O-N 2.98Å; R545-I547 VanDerWaalsContact C-N 3.26Å; R545-I547 PolarHBondContact O-N 3.14Å; R545-Q548 PolarHBondContact O-N 3.13Å; R545-N549 PolarHBondContact O-N 3.19Å
546M79.8Confident80.4Confident71 Ų7138.4 Ų38.435%0.3519%0.189SC..Hα-helixtrans-61.4-37.9177.7-73.9175.316900111.5Y379 T542 Y543 S550Y379-M546 HydrophobicContact CD2-CB 3.99Å; Y379-M546 HydrophobicContact CE1-SD 4.04Å; Y379-M546 HydrophobicContact CE2-CB 3.52Å; Y379-M546 HydrophobicContact CE2-CG 4.26Å; Y379-M546 HydrophobicContact CE2-SD 4.01Å; Y379-M546 VanDerWaalsContact CZ-SD 3.54Å; Y379-M546 PolarHBondContact OH-SD 3.41Å; Y379-M546 VanDerWaalsContact OH-SD 3.36Å; T542-M546 HydrophobicContact CG2-CE 3.52Å; T542-M546 HydrophobicContact CG2-CG 4.3Å; T542-M546 HydrophobicContact CG2-SD 3.83Å; T542-M546 WeakPolarHBondContact O-CG 3.49Å; T542-M546 PolarHBondContact O-N 3.28Å; Y543-M546 HydrophobicContact CD1-SD 4.4Å; Y543-M546 PolarHBondContact O-N 3.03Å; M546-S550 VanDerWaalsContact O-CB 3.26Å; M546-S550 WeakPolarHBondContact O-CB 3.35Å; M546-S550 PolarHBondContact O-N 3.3Å; M546-S550 PolarHBondContact O-OG 3.18Å
547I82.2Confident80.5Confident9 Ų936.7 Ų36.75%0.04618%0.178CC..Hα-helixtrans-67.5-44.4175.1-72.2165000110.8Y379 I380 I384 Y543 Y544 R545 N549 S550 F551Y379-I547 HydrophobicContact CD2-CG1 4.12Å; I380-I547 HydrophobicContact CG1-CD1 4.3Å; I384-I547 HydrophobicContact CD1-CD1 3.11Å; I384-I547 HydrophobicContact CG1-CD1 4.25Å; Y543-I547 WeakPolarHBondContact O-CB 3.19Å; Y543-I547 WeakPolarHBondContact O-CD1 3.12Å; Y543-I547 VanDerWaalsContact O-CG1 3.23Å; Y543-I547 WeakPolarHBondContact O-CG1 3.31Å; Y543-I547 PolarHBondContact O-N 3.24Å; Y544-I547 PolarHBondContact O-N 3Å; R545-I547 VanDerWaalsContact C-N 3.26Å; R545-I547 PolarHBondContact O-N 3.14Å; I547-N549 PolarHBondContact O-N 3.42Å; I547-S550 PolarHBondContact O-N 3.35Å; I547-F551 HydrophobicContact CG2-CD2 3.57Å; I547-F551 HydrophobicContact CG2-CE2 3.38Å; I547-F551 WeakPolarHBondContact O-CD2 3.16Å; I547-F551 PolarHBondContact O-N 2.69Å
548Q75.4Confident80.4Confident30 Ų3037.6 Ų37.614%0.1418%0.182CC..Hα-helixtrans-57.4-50.2175.5-69.9-174.9-57.700111.6T231 Y544 R545 S550 F551 I552T231-Q548 HydrophobicContact CG2-CB 3.92Å; T231-Q548 HydrophobicContact CG2-CG 3.79Å; T231-Q548 PolarHBondContact OG1-NE2 2.88Å; Y544-Q548 VanDerWaalsContact CE1-CD 3.41Å; Y544-Q548 HydrophobicContact CE1-CG 4.23Å; Y544-Q548 VanDerWaalsContact CE1-OE1 3.24Å; Y544-Q548 WeakPolarHBondContact O-CG 3.21Å; Y544-Q548 PolarHBondContact O-N 3.4Å; Y544-Q548 PolarHBondContact OH-NE2 2.78Å; R545-Q548 PolarHBondContact O-N 3.13Å; Q548-S550 VanDerWaalsContact C-N 3.33Å; Q548-S550 PolarHBondContact O-N 3.27Å; Q548-F551 WeakPolarHBondContact O-CB 3.24Å; Q548-F551 PolarHBondContact O-N 2.94Å; Q548-I552 WeakPolarHBondContact O-CG1 3.45Å; Q548-I552 PolarHBondContact O-N 3.14Å; Q548-I552 VanDerWaalsContact O-N 3.13Å
549N75.9Confident80.5Confident90 Ų9039.9 Ų39.948%0.48119%0.189SC..Hα-helixtrans-60.6-43.4176.9-70.3-5.4000111.5R545 I547 F551 I552 D553R545-N549 PolarHBondContact O-N 3.19Å; I547-N549 PolarHBondContact O-N 3.42Å; N549-F551 VanDerWaalsContact C-N 3.28Å; N549-F551 PolarHBondContact O-N 3.44Å; N549-I552 WeakPolarHBondContact O-CB 3.34Å; N549-I552 PolarHBondContact O-N 3.24Å; N549-I552 VanDerWaalsContact O-N 3.16Å; N549-D553 PolarHBondContact O-N 2.7Å
550S83.3Confident80.7Confident8 Ų833.3 Ų33.36%0.05616%0.164CC..Hα-helixtrans-63.9-34.9179.3-59.60000111.9S372 M546 I547 Q548 M554S372-S550 WeakPolarHBondContact CB-O 3.24Å; M546-S550 VanDerWaalsContact O-CB 3.26Å; M546-S550 WeakPolarHBondContact O-CB 3.35Å; M546-S550 PolarHBondContact O-N 3.3Å; M546-S550 PolarHBondContact O-OG 3.18Å; I547-S550 PolarHBondContact O-N 3.35Å; Q548-S550 VanDerWaalsContact C-N 3.33Å; Q548-S550 PolarHBondContact O-N 3.27Å; S550-M554 WeakPolarHBondContact O-CB 3.44Å; S550-M554 PolarHBondContact O-N 2.93Å
551F80.1Confident80.8Confident4 Ų433.9 Ų33.92%0.01817%0.167CC..Hα-helixtrans-65.2-41.7173.8-88.9-62.7000112.5T231 F235 K238 V239 L376 I547 Q548 N549 M554 E555T231-F551 HydrophobicContact CG2-CB 4.33Å; F235-F551 HydrophobicContact CD2-CE1 4.3Å; F235-F551 AromaticContact CD2-CE2 3.64Å; F235-F551 HydrophobicContact CD2-CE2 3.64Å; F235-F551 AromaticContact CD2-CZ 3.36Å; F235-F551 HydrophobicContact CD2-CZ 3.36Å; F235-F551 AromaticContact CE2-CE2 3.54Å; F235-F551 HydrophobicContact CE2-CE2 3.54Å; F235-F551 AromaticContact CE2-CZ 3.33Å; F235-F551 HydrophobicContact CE2-CZ 3.33Å; F235-F551 HydrophobicContact CZ-CZ 4.44Å; K238-F551 HydrophobicContact CB-CD1 4.19Å; K238-F551 HydrophobicContact CB-CE1 3.75Å; K238-F551 HydrophobicContact CD-CD1 3.73Å; K238-F551 HydrophobicContact CD-CE1 4.09Å; V239-F551 HydrophobicContact CG2-CZ 4.48Å; L376-F551 HydrophobicContact CD1-CD1 3.82Å; L376-F551 HydrophobicContact CD1-CD2 3.92Å; L376-F551 HydrophobicContact CD1-CE1 3.76Å; L376-F551 HydrophobicContact CD1-CE2 3.87Å; L376-F551 HydrophobicContact CD1-CG 3.87Å; L376-F551 HydrophobicContact CD1-CZ 3.77Å; L376-F551 HydrophobicContact CD2-CZ 4.45Å; I547-F551 HydrophobicContact CG2-CD2 3.57Å; I547-F551 HydrophobicContact CG2-CE2 3.38Å; I547-F551 WeakPolarHBondContact O-CD2 3.16Å; I547-F551 PolarHBondContact O-N 2.69Å; Q548-F551 WeakPolarHBondContact O-CB 3.24Å; Q548-F551 PolarHBondContact O-N 2.94Å; N549-F551 VanDerWaalsContact C-N 3.28Å; N549-F551 PolarHBondContact O-N 3.44Å; F551-M554 HydrophobicContact CD1-CE 3.64Å; F551-M554 HydrophobicContact CE1-CE 4.08Å; F551-E555 VanDerWaalsContact O-CB 3.31Å; F551-E555 WeakPolarHBondContact O-CB 3.34Å; F551-E555 PolarHBondContact O-N 2.91Å
552I76.2Confident81.2Confident46 Ų4640.3 Ų40.324%0.23620%0.195CC..Hα-helixtrans-64.8-52178.7-73.1163.5000111E226 Q548 N549 M554 E555 S556E226-I552 WeakPolarHBondContact OE1-CG2 3.32Å; E226-I552 WeakPolarHBondContact OE2-CD1 3.41Å; E226-I552 WeakPolarHBondContact OE2-CG2 3.35Å; Q548-I552 WeakPolarHBondContact O-CG1 3.45Å; Q548-I552 PolarHBondContact O-N 3.14Å; Q548-I552 VanDerWaalsContact O-N 3.13Å; N549-I552 WeakPolarHBondContact O-CB 3.34Å; N549-I552 PolarHBondContact O-N 3.24Å; N549-I552 VanDerWaalsContact O-N 3.16Å; I552-M554 VanDerWaalsContact C-N 3.28Å; I552-M554 PolarHBondContact O-N 3Å; I552-E555 PolarHBondContact O-N 3.47Å; I552-E555 VanDerWaalsContact O-N 3.15Å; I552-S556 PolarHBondContact O-N 3.24Å; I552-S556 PolarHBondContact O-OG 2.95Å
553D79.4Confident81.5Confident27 Ų2741.7 Ų41.714%0.14420%0.199CC..Hα-helixtrans-62.6-40-179.5-76.8-32.9000110.6R368 S372 N549 S556 M557R368-D553 HydrophobicContact CB-CB 4.1Å; R368-D553 IonicContact CZ-OD1 3.5Å; R368-D553 IonicContact NE-OD1 3.57Å; R368-D553 IonicContact NH1-OD1 2.84Å; R368-D553 PolarHBondContact NH1-OD1 3.28Å; S372-D553 VanDerWaalsContact OG-CB 3.32Å; S372-D553 WeakPolarHBondContact OG-CB 3.42Å; N549-D553 PolarHBondContact O-N 2.7Å; D553-S556 PolarHBondContact O-N 3.32Å; D553-M557 PolarHBondContact O-N 2.84Å; D553-M557 VanDerWaalsContact O-N 3.1Å
554M81.6Confident81.6Confident3 Ų346 Ų462%0.01522%0.221CC..Hα-helixtrans-65.7-39.9174.3180-163.876.500112.4K238 L242 I373 S550 F551 I552 S556 M557 F558K238-M554 HydrophobicContact CB-CE 4.16Å; K238-M554 HydrophobicContact CD-CE 4.44Å; L242-M554 HydrophobicContact CD1-CE 4.46Å; L242-M554 HydrophobicContact CD1-SD 3.75Å; L242-M554 HydrophobicContact CD2-SD 3.68Å; L242-M554 HydrophobicContact CG-SD 3.89Å; I373-M554 HydrophobicContact CD1-CG 4.26Å; I373-M554 HydrophobicContact CG1-CB 4.44Å; I373-M554 HydrophobicContact CG1-CG 3.8Å; I373-M554 HydrophobicContact CG1-SD 4.23Å; S550-M554 WeakPolarHBondContact O-CB 3.44Å; S550-M554 PolarHBondContact O-N 2.93Å; F551-M554 HydrophobicContact CD1-CE 3.64Å; F551-M554 HydrophobicContact CE1-CE 4.08Å; I552-M554 VanDerWaalsContact C-N 3.28Å; I552-M554 PolarHBondContact O-N 3Å; M554-S556 VanDerWaalsContact C-N 3.34Å; M554-M557 WeakPolarHBondContact O-CB 3.39Å; M554-M557 PolarHBondContact O-N 2.92Å; M554-F558 HydrophobicContact CE-CD2 4.2Å; M554-F558 HydrophobicContact CE-CE2 4.04Å; M554-F558 HydrophobicContact CG-CD2 3.6Å; M554-F558 HydrophobicContact CG-CE2 3.43Å; M554-F558 VanDerWaalsContact CG-CE2 3.43Å; M554-F558 WeakPolarHBondContact O-CD2 3.28Å; M554-F558 PolarHBondContact O-N 3.43Å; M554-F558 HydrophobicContact SD-CD2 4.24Å; M554-F558 HydrophobicContact SD-CE2 3.68Å
555E80.3Confident82Confident59 Ų5947.9 Ų47.928%0.27623%0.231SC..Hα-helixtrans-64.3-41.1176.9-173.6179.1140.500111.2K238 F551 I552 M557 F558 K559K238-E555 IonicContact NZ-OE2 3.46Å; K238-E555 PolarHBondContact NZ-OE2 2.93Å; F551-E555 VanDerWaalsContact O-CB 3.31Å; F551-E555 WeakPolarHBondContact O-CB 3.34Å; F551-E555 PolarHBondContact O-N 2.91Å; I552-E555 PolarHBondContact O-N 3.47Å; I552-E555 VanDerWaalsContact O-N 3.15Å; E555-M557 VanDerWaalsContact C-N 3.27Å; E555-M557 PolarHBondContact O-N 3.44Å; E555-F558 PolarHBondContact O-N 3.5Å; E555-K559 WeakPolarHBondContact O-CG 3.37Å; E555-K559 PolarHBondContact O-N 3.3Å; E555-K559 WeakPolarHBondContact OE1-CE 3.42Å; E555-K559 IonicContact OE1-NZ 2.63Å; E555-K559 PolarHBondContact OE1-NZ 3.02Å
556S79.1Confident82.4Confident35 Ų3550.1 Ų50.125%0.24524%0.242CC..Hα-helixtrans-59.5-39.9173.5-64.60000111.9I552 D553 M554 L560I552-S556 PolarHBondContact O-N 3.24Å; I552-S556 PolarHBondContact O-OG 2.95Å; D553-S556 PolarHBondContact O-N 3.32Å; M554-S556 VanDerWaalsContact C-N 3.34Å; S556-L560 PolarHBondContact O-N 2.95Å
557M85Confident82.6Confident1 Ų147.2 Ų47.21%0.00523%0.228CC..Hα-helixtrans-69.7-41.7175.4-170.3-152.171.800112.6V338 L342 I373 D553 M554 E555 K559 L560 F561V338-M557 HydrophobicContact CG1-CE 4.24Å; V338-M557 HydrophobicContact CG1-SD 4.05Å; L342-M557 HydrophobicContact CD2-CG 3.41Å; L342-M557 VanDerWaalsContact CD2-CG 3.41Å; L342-M557 HydrophobicContact CD2-SD 4.04Å; I373-M557 HydrophobicContact CD1-CE 3.38Å; I373-M557 HydrophobicContact CD1-SD 3.92Å; D553-M557 PolarHBondContact O-N 2.84Å; D553-M557 VanDerWaalsContact O-N 3.1Å; M554-M557 WeakPolarHBondContact O-CB 3.39Å; M554-M557 PolarHBondContact O-N 2.92Å; E555-M557 VanDerWaalsContact C-N 3.27Å; E555-M557 PolarHBondContact O-N 3.44Å; M557-K559 VanDerWaalsContact C-N 3.32Å; M557-K559 PolarHBondContact O-N 2.91Å; M557-L560 VanDerWaalsContact O-CB 3.28Å; M557-L560 WeakPolarHBondContact O-CB 3.36Å; M557-L560 PolarHBondContact O-N 2.63Å; M557-F561 HydrophobicContact CE-CD2 4.05Å; M557-F561 HydrophobicContact CE-CE2 3.92Å; M557-F561 PolarHBondContact O-N 2.66Å
558F83.1Confident82.8Confident22 Ų2251.6 Ų51.610%0.09625%0.247CC..Hα-helixtrans-65.8-34.5176-83.4-56000112.4Y245 M554 E555 L560 F561 E562Y245-F558 HydrophobicContact CE2-CE1 4.15Å; Y245-F558 HydrophobicContact CE2-CZ 4.41Å; M554-F558 HydrophobicContact CE-CD2 4.2Å; M554-F558 HydrophobicContact CE-CE2 4.04Å; M554-F558 HydrophobicContact CG-CD2 3.6Å; M554-F558 HydrophobicContact CG-CE2 3.43Å; M554-F558 VanDerWaalsContact CG-CE2 3.43Å; M554-F558 WeakPolarHBondContact O-CD2 3.28Å; M554-F558 PolarHBondContact O-N 3.43Å; M554-F558 HydrophobicContact SD-CD2 4.24Å; M554-F558 HydrophobicContact SD-CE2 3.68Å; E555-F558 PolarHBondContact O-N 3.5Å; F558-L560 PolarHBondContact O-N 3.13Å; F558-F561 HydrophobicContact CD1-CD2 4.25Å; F558-F561 CarbonylContact O-C 3.56Å; F558-F561 WeakPolarHBondContact O-CA 3.46Å; F558-F561 WeakPolarHBondContact O-CB 3.47Å; F558-F561 PolarHBondContact O-N 2.98Å; F558-E562 WeakPolarHBondContact O-CG 3.35Å; F558-E562 PolarHBondContact O-N 3.29Å
559K84.7Confident83.5Confident109 Ų10953.1 Ų53.147%0.47426%0.256SS..Hα-helixtrans-57.1-30.4170.2-75.7170.8-177.71630112.3E555 M557 E563E555-K559 WeakPolarHBondContact O-CG 3.37Å; E555-K559 PolarHBondContact O-N 3.3Å; E555-K559 WeakPolarHBondContact OE1-CE 3.42Å; E555-K559 IonicContact OE1-NZ 2.63Å; E555-K559 PolarHBondContact OE1-NZ 3.02Å; M557-K559 VanDerWaalsContact C-N 3.32Å; M557-K559 PolarHBondContact O-N 2.91Å; K559-E563 PolarHBondContact O-N 3.05Å
560L87.1Confident84Confident4 Ų454 Ų542%0.02126%0.258CS..Hα-helixtrans-73.7-32.6173.1-58.7174.6000112.6L342 H345 L346 W353 V362 S556 M557 F558L342-L560 HydrophobicContact CD1-CB 4.04Å; H345-L560 PolarHBondContact CD2-O 3.23Å; H345-L560 VanDerWaalsContact CD2-O 3.29Å; H345-L560 PolarHBondContact NE2-O 3.44Å; L346-L560 HydrophobicContact CD2-CB 4.4Å; W353-L560 HydrophobicContact CH2-CD2 3.94Å; W353-L560 HydrophobicContact CZ2-CD2 3.57Å; V362-L560 HydrophobicContact CG1-CD1 4.29Å; S556-L560 PolarHBondContact O-N 2.95Å; M557-L560 VanDerWaalsContact O-CB 3.28Å; M557-L560 WeakPolarHBondContact O-CB 3.36Å; M557-L560 PolarHBondContact O-N 2.63Å; F558-L560 PolarHBondContact O-N 3.13Å
561F84.4Confident84Confident41 Ų4160.6 Ų60.618%0.1830%0.297CS..Hα-helixtrans-75.1-27.3174.5-89.9-63.7000113.6V338 R341 L342 H345 M557 F558 E563V338-F561 HydrophobicContact CG1-CE2 4.42Å; R341-F561 HydrophobicContact CB-CZ 4.48Å; R341-F561 HydrophobicContact CG-CE1 4.07Å; R341-F561 HydrophobicContact CG-CZ 4.43Å; L342-F561 VanDerWaalsContact CA-CZ 3.5Å; L342-F561 HydrophobicContact CB-CE1 4.08Å; L342-F561 HydrophobicContact CB-CE2 3.81Å; L342-F561 HydrophobicContact CB-CZ 3.45Å; L342-F561 VanDerWaalsContact CB-CZ 3.45Å; L342-F561 HydrophobicContact CD1-CD1 4.1Å; L342-F561 HydrophobicContact CD1-CD2 3.84Å; L342-F561 HydrophobicContact CD1-CE1 4.03Å; L342-F561 HydrophobicContact CD1-CE2 3.78Å; L342-F561 HydrophobicContact CD1-CG 4.02Å; L342-F561 HydrophobicContact CD1-CZ 3.89Å; L342-F561 HydrophobicContact CD2-CE2 4.16Å; L342-F561 HydrophobicContact CG-CE2 4.13Å; L342-F561 HydrophobicContact CG-CZ 4.16Å; H345-F561 PolarHBondContact NE2-O 2.99Å; M557-F561 HydrophobicContact CE-CD2 4.05Å; M557-F561 HydrophobicContact CE-CE2 3.92Å; M557-F561 PolarHBondContact O-N 2.66Å; F558-F561 HydrophobicContact CD1-CD2 4.25Å; F558-F561 CarbonylContact O-C 3.56Å; F558-F561 WeakPolarHBondContact O-CA 3.46Å; F558-F561 WeakPolarHBondContact O-CB 3.47Å; F558-F561 PolarHBondContact O-N 2.98Å; F561-E563 VanDerWaalsContact C-N 3.3Å
562E86Confident84.2Confident142 Ų14267.7 Ų67.766%0.66434%0.335SS*.SBendtrans-82.4-10.3178.1-71.3177.7178.100112.3F558 E564F558-E562 WeakPolarHBondContact O-CG 3.35Å; F558-E562 PolarHBondContact O-N 3.29Å; E562-E564 PolarHBondContact O-N 2.81Å
563E88.8Confident84.8Confident67 Ų6765.8 Ų65.831%0.31333%0.326SS..PPolyproline II helixtrans-65.3125.2177.6-167.782.1-138.500110.2H345 L349 W353 R357 K559 F561H345-E563 PolarHBondContact CE1-O 3.29Å; H345-E563 VanDerWaalsContact CE1-O 3.3Å; H345-E563 PolarHBondContact NE2-O 3.4Å; L349-E563 HydrophobicContact CD1-CB 4.29Å; L349-E563 HydrophobicContact CD1-CG 4.17Å; L349-E563 HydrophobicContact CD2-CB 4.05Å; L349-E563 HydrophobicContact CD2-CG 3.86Å; W353-E563 VanDerWaalsContact CD1-CD 3.4Å; W353-E563 PolarHBondContact NE1-OE2 3.01Å; R357-E563 IonicContact NH2-OE2 2.83Å; K559-E563 PolarHBondContact O-N 3.05Å; F561-E563 VanDerWaalsContact C-N 3.3Å
564E86.2Confident85.3Confident146 Ų14666.2 Ų66.268%0.68234%0.337SS*.PPolyproline II helixtrans-81.5140.7-179.6-67.7-158.2-159.400112.2E562 E566 K568E562-E564 PolarHBondContact O-N 2.81Å; E564-E566 PolarHBondContact O-N 3.43Å; E564-K568 IonicContact OE2-NZ 3.63Å; E564-K568 PolarHBondContact OE2-NZ 3.33Å
565E86.2Confident85.9Confident64 Ų6471 Ų7130%0.29936%0.362SS..PPolyproline II helixtrans-66.6119170.8-59.5171.1-17500110.2S348 L349 V567 K568S348-E565 WeakPolarHBondContact CB-OE1 3.36Å; S348-E565 VanDerWaalsContact OG-CD 3.3Å; S348-E565 PolarHBondContact OG-OE1 3.42Å; L349-E565 HydrophobicContact CD2-CG 4.49Å; E565-V567 VanDerWaalsContact C-N 3.32Å; E565-V567 PolarHBondContact O-N 3.25Å; E565-K568 HydrophobicContact CB-CD 4.37Å; E565-K568 HydrophobicContact CB-CG 3.71Å; E565-K568 VanDerWaalsContact O-CE 3.23Å; E565-K568 WeakPolarHBondContact O-CE 3.13Å; E565-K568 WeakPolarHBondContact O-CG 3.26Å
566E84.8Confident86.5Confident75 Ų7568.6 Ų68.635%0.3535%0.352SS..SBendtrans-67.3-33.2178.3-170.3180178.300112.2S350 R352 E564S350-E566 VanDerWaalsContact CB-OE2 3.31Å; S350-E566 WeakPolarHBondContact CB-OE2 3.36Å; S350-E566 PolarHBondContact OG-OE2 3.01Å; R352-E566 IonicContact CZ-OE1 3.81Å; R352-E566 VanDerWaalsContact CZ-OE1 3.26Å; R352-E566 IonicContact NH1-OE1 2.84Å; R352-E566 PolarHBondContact NH1-OE1 3.5Å; R352-E566 IonicContact NH1-OE2 2.58Å; R352-E566 IonicContact NH2-OE1 3.46Å; R352-E566 PolarHBondContact NH2-OE1 2.95Å; E564-E566 PolarHBondContact O-N 3.43Å
567V85.9Confident87.1Confident9 Ų973.2 Ų73.26%0.05537%0.37CS..SBendtrans-117.989-178.4-174.30000108.9E565 R631 Q652E565-V567 VanDerWaalsContact C-N 3.32Å; E565-V567 PolarHBondContact O-N 3.25Å; V567-R631 HydrophobicContact CG1-CG 4.09Å; V567-Q652 PolarHBondContact O-NE2 2.94Å
568K86.4Confident87.3Confident101 Ų10176 Ų7644%0.43938%0.382SS..PPolyproline II helixtrans-93142175.5-69.2170-177.3164.90110.7E564 E565 R631E564-K568 IonicContact OE2-NZ 3.63Å; E564-K568 PolarHBondContact OE2-NZ 3.33Å; E565-K568 HydrophobicContact CB-CD 4.37Å; E565-K568 HydrophobicContact CB-CG 3.71Å; E565-K568 VanDerWaalsContact O-CE 3.23Å; E565-K568 WeakPolarHBondContact O-CE 3.13Å; E565-K568 WeakPolarHBondContact O-CG 3.26Å; K568-R631 PolarHBondContact O-NH2 2.99Å
569D88.5Confident87.6Confident62 Ų6282 Ų8233%0.33241%0.408SS..PPolyproline II helixtrans-73.9137.9167.4-72.8-4.3000109A573 R631 K651 Q652D569-A573 HydrophobicContact CB-CB 4.43Å; D569-R631 IonicContact OD1-NH1 3.26Å; D569-R631 IonicContact OD1-NH2 3.83Å; D569-K651 WeakPolarHBondContact OD2-CA 3.29Å; D569-Q652 WeakPolarHBondContact OD1-CG 3.43Å; D569-Q652 PolarHBondContact OD1-N 3.38Å; D569-Q652 PolarHBondContact OD1-NE2 3.4Å; D569-Q652 PolarHBondContact OD2-N 3.5Å
570E87Confident87.7Confident109 Ų10982.5 Ų82.551%0.50942%0.415SS..PPolyproline II helixtrans-62.2147.5172.4-65.5-174.4170.800110.4N572 A573E570-N572 PolarHBondContact O-N 2.95Å; E570-A573 HydrophobicContact CB-CB 4.29Å; E570-A573 WeakPolarHBondContact O-CB 3.33Å; E570-A573 PolarHBondContact O-N 2.91Å
571V83.6Confident87.8Confident147 Ų14782.3 Ų82.389%0.89141%0.414SS*.THydrogen-bonded Turntrans-54.8-34.1-176-178.70000112.3
572N84.6Confident88.3Confident153 Ų15385.5 Ų85.582%0.81843%0.425SS*.THydrogen-bonded Turntrans-106.422179.4-66.2-32.7000113.4E570 G574E570-N572 PolarHBondContact O-N 2.95Å; N572-G574 PolarHBondContact O-N 3.15Å
573A88.4Confident88.8Confident5 Ų578.7 Ų78.74%0.04139%0.393CS..PPolyproline II helixtrans-59.1128.1-178.500000112D569 E570 K649 K651D569-A573 HydrophobicContact CB-CB 4.43Å; E570-A573 HydrophobicContact CB-CB 4.29Å; E570-A573 WeakPolarHBondContact O-CB 3.33Å; E570-A573 PolarHBondContact O-N 2.91Å; A573-K649 WeakPolarHBondContact CA-O 3.26Å; A573-K649 WeakPolarHBondContact CB-O 3.39Å; A573-K651 HydrophobicContact CB-CG 3.88Å; A573-K651 WeakPolarHBondContact O-CE 3.2Å; A573-K651 WeakPolarHBondContact O-CG 3.45Å
574G90.2Very high89.2Confident36 Ų3677.1 Ų77.137%0.37139%0.386SS..BIsolated β-bridgetrans-78164.1176.600000112.7N572 L650 K651N572-G574 PolarHBondContact O-N 3.15Å; G574-L650 CarbonylContact O-C 3.59Å; G574-L650 WeakPolarHBondContact O-CA 3.45Å; G574-K651 PolarHBondContact O-N 3.36Å
575N93.9Very high89.7Confident103 Ų10370.4 Ų70.455%0.55135%0.354SS*.PPolyproline II helixtrans-76150.4163.4-69.9-23.8000109.5Q577 K651 S654N575-Q577 PolarHBondContact O-N 2.84Å; N575-K651 WeakPolarHBondContact OD1-CD 3.47Å; N575-S654 WeakPolarHBondContact CB-OG 3.25Å
576L92.3Very high90.2Very high10 Ų1070.6 Ų70.65%0.05236%0.357CS..PPolyproline II helixtrans-64.7120.5174.7177.565.3000109.5F578 I642 Q645 L650 S654 L655 H658L576-F578 PolarHBondContact O-N 3.35Å; L576-I642 HydrophobicContact CD1-CB 4.2Å; L576-I642 HydrophobicContact CD1-CG2 4.21Å; L576-I642 HydrophobicContact CD2-CG2 4.34Å; L576-Q645 HydrophobicContact CD1-CB 4.5Å; L576-L650 HydrophobicContact CB-CD1 3.99Å; L576-L650 HydrophobicContact CD1-CD1 3.45Å; L576-L650 VanDerWaalsContact CD1-CD1 3.45Å; L576-L650 HydrophobicContact CG-CD1 4.27Å; L576-S654 PolarHBondContact N-OG 3.38Å; L576-L655 HydrophobicContact CD2-CD1 4.22Å; L576-H658 HydrophobicContact CD2-CB 4.25Å
577Q92.3Very high90.6Very high132 Ų13269 Ų6962%0.61736%0.355SS*.  trans-86.891.9169.7-64.8-173.90.700109.4N575 Q645N575-Q577 PolarHBondContact O-N 2.84Å; Q577-Q645 VanDerWaalsContact N-OE1 3.17Å; Q577-Q645 PolarHBondContact O-NE2 3.23Å
578F89.7Confident91.1Very high59 Ų5968.6 Ų68.626%0.25935%0.352SS..  trans-72.2128.2179.3-170-87.8000110.9L576 H658 Q739 I740L576-F578 PolarHBondContact O-N 3.35Å; F578-H658 AromaticContact CD2-CD2 3.92Å; F578-H658 AromaticContact CG-CD2 3.85Å; F578-Q739 HydrophobicContact CD1-CB 4.48Å; F578-Q739 HydrophobicContact CD1-CG 4.11Å; F578-Q739 HydrophobicContact CD2-CB 4.39Å; F578-Q739 HydrophobicContact CE1-CB 3.72Å; F578-Q739 HydrophobicContact CE1-CG 3.66Å; F578-Q739 HydrophobicContact CE2-CB 3.6Å; F578-Q739 HydrophobicContact CE2-CG 4.23Å; F578-Q739 HydrophobicContact CZ-CB 3.22Å; F578-Q739 HydrophobicContact CZ-CG 3.74Å; F578-I740 HydrophobicContact CE2-CD1 4.29Å; F578-I740 HydrophobicContact CE2-CG1 4.16Å
579K89.6Confident91.4Very high148 Ų14868 Ų6864%0.64335%0.348SS*.SBendtrans-119.2-60.7178.2-65.5-177.7-178.81780111.4D643K579-D643 PolarHBondContact N-OD2 2.82Å
580L86.8Confident91.7Very high120 Ų12065.2 Ų65.263%0.62833%0.333SS*.SBendtrans-128.3-23.2-171.9-64.3169.4000111.7P608 D643L580-P608 HydrophobicContact CB-CB 4.18Å; L580-P608 HydrophobicContact CB-CG 3.56Å; L580-P608 VanDerWaalsContact O-CB 3.25Å; L580-P608 WeakPolarHBondContact O-CB 3.3Å; L580-D643 PolarHBondContact N-OD2 3.33Å
581G89Confident91.8Very high0 Ų060.4 Ų60.40%031%0.311CS..  trans81.633.7-178.200000113.8D643 T770G581-D643 VanDerWaalsContact N-CG 3.35Å; G581-D643 PolarHBondContact N-OD1 3.3Å; G581-D643 PolarHBondContact N-OD2 2.89Å; G581-T770 WeakPolarHBondContact O-CB 3.33Å; G581-T770 VanDerWaalsContact O-CG2 3.29Å; G581-T770 WeakPolarHBondContact O-CG2 3.16Å; G581-T770 PolarHBondContact O-OG1 3.35Å
582R95.1Very high91.9Very high107 Ų10755.9 Ų55.940%0.40428%0.278SS..  trans-75.9124.7171.9178.5176.8170.6167.3-3.3109.8E584 T605 V606 P608 I642 D643R582-E584 HydrophobicContact CG-CG 4.34Å; R582-E584 IonicContact CZ-OE1 2.95Å; R582-E584 IonicContact NE-OE1 3.82Å; R582-E584 PolarHBondContact NE-OE1 2.73Å; R582-E584 IonicContact NH2-OE1 3.78Å; R582-E584 PolarHBondContact NH2-OE1 3.05Å; R582-T605 HydrophobicContact CG-CG2 4.05Å; R582-V606 WeakPolarHBondContact CA-O 3.49Å; R582-P608 HydrophobicContact CB-CG 4.29Å; R582-I642 CarbonylContact O-C 3.6Å; R582-I642 VanDerWaalsContact O-CA 3.31Å; R582-I642 WeakPolarHBondContact O-CA 3.49Å; R582-D643 PolarHBondContact N-OD1 3.05Å; R582-D643 PolarHBondContact O-N 3.44Å
583V96.4Very high91.8Very high0 Ų053.4 Ų53.40%027%0.269CS..EExtended strand (participates in β ladder)trans-109.2129.2178.8-178.40000109.9F585 T605 V606 L629 I642 I740 T770V583-F585 HydrophobicContact CG1-CD2 4.24Å; V583-F585 HydrophobicContact CG1-CE2 3.93Å; V583-T605 CarbonylContact O-C 3.54Å; V583-T605 WeakPolarHBondContact O-CA 3.36Å; V583-V606 HydrophobicContact CB-CB 4.14Å; V583-V606 HydrophobicContact CB-CG2 4.29Å; V583-V606 PolarHBondContact N-O 3.03Å; V583-V606 PolarHBondContact O-N 2.83Å; V583-L629 HydrophobicContact CG1-CD1 3.57Å; V583-L629 HydrophobicContact CG1-CD2 4.17Å; V583-I642 HydrophobicContact CG2-CG1 4.41Å; V583-I740 HydrophobicContact CG2-CD1 4.05Å; V583-T770 HydrophobicContact CG2-CG2 4.31Å
584E96.6Very high91.2Very high33 Ų3360.3 Ų60.315%0.15431%0.305CS..EExtended strand (participates in β ladder)trans-126.5130-178.8-64.8179.8162.700111.4R582 T605 I640 R641R582-E584 HydrophobicContact CG-CG 4.34Å; R582-E584 IonicContact CZ-OE1 2.95Å; R582-E584 IonicContact NE-OE1 3.82Å; R582-E584 PolarHBondContact NE-OE1 2.73Å; R582-E584 IonicContact NH2-OE1 3.78Å; R582-E584 PolarHBondContact NH2-OE1 3.05Å; E584-T605 HydrophobicContact CG-CG2 3.82Å; E584-I640 CarbonylContact O-C 3.57Å; E584-I640 VanDerWaalsContact O-CA 3.3Å; E584-I640 WeakPolarHBondContact O-CA 3.36Å; E584-R641 HydrophobicContact CB-CB 4.28Å; E584-R641 PolarHBondContact N-O 3.12Å; E584-R641 PolarHBondContact O-N 2.85Å
585F96.8Very high90.5Very high6 Ų662.7 Ų62.73%0.02633%0.329CS..EExtended strand (participates in β ladder)trans-106.3124.1165.7-78.7-112.8000107.4V583 V588 S603 F604 I625 L629 I640V583-F585 HydrophobicContact CG1-CD2 4.24Å; V583-F585 HydrophobicContact CG1-CE2 3.93Å; F585-V588 HydrophobicContact CB-CG2 4.12Å; F585-V588 HydrophobicContact CD1-CB 4.18Å; F585-V588 HydrophobicContact CD1-CG1 4.46Å; F585-V588 HydrophobicContact CD1-CG2 3.71Å; F585-V588 HydrophobicContact CG-CG2 4.31Å; F585-S603 VanDerWaalsContact O-CA 3.26Å; F585-S603 WeakPolarHBondContact O-CA 3.37Å; F585-F604 HydrophobicContact CB-CD1 3.83Å; F585-F604 HydrophobicContact CB-CE1 3.78Å; F585-F604 HydrophobicContact CB-CG 4.46Å; F585-F604 HydrophobicContact CB-CZ 4.36Å; F585-F604 AromaticContact CD1-CE1 3.94Å; F585-F604 HydrophobicContact CD1-CE1 3.94Å; F585-F604 HydrophobicContact CD1-CZ 4.32Å; F585-F604 HydrophobicContact CD2-CD1 4.41Å; F585-F604 AromaticContact CD2-CE1 3.7Å; F585-F604 HydrophobicContact CD2-CE1 3.7Å; F585-F604 AromaticContact CD2-CE2 3.94Å; F585-F604 HydrophobicContact CD2-CE2 3.94Å; F585-F604 AromaticContact CD2-CZ 3.42Å; F585-F604 HydrophobicContact CD2-CZ 3.42Å; F585-F604 VanDerWaalsContact CD2-CZ 3.42Å; F585-F604 HydrophobicContact CE2-CE1 4.29Å; F585-F604 HydrophobicContact CE2-CE2 4.35Å; F585-F604 AromaticContact CE2-CZ 3.72Å; F585-F604 HydrophobicContact CE2-CZ 3.72Å; F585-F604 HydrophobicContact CG-CD1 4.11Å; F585-F604 AromaticContact CG-CE1 3.52Å; F585-F604 HydrophobicContact CG-CE1 3.52Å; F585-F604 AromaticContact CG-CZ 3.78Å; F585-F604 HydrophobicContact CG-CZ 3.78Å; F585-F604 HydrophobicContact CZ-CZ 4.31Å; F585-F604 PolarHBondContact N-O 3.42Å; F585-F604 PolarHBondContact O-N 3.26Å; F585-I625 HydrophobicContact CE1-CG2 3.93Å; F585-I625 HydrophobicContact CE2-CG2 4.32Å; F585-I625 HydrophobicContact CZ-CG2 3.68Å; F585-L629 HydrophobicContact CE2-CD1 4.33Å; F585-L629 HydrophobicContact CZ-CB 4.21Å; F585-I640 HydrophobicContact CD1-CD1 4.04Å; F585-I640 HydrophobicContact CD1-CG1 3.83Å; F585-I640 HydrophobicContact CD2-CG2 4.27Å; F585-I640 HydrophobicContact CE1-CD1 3.42Å; F585-I640 VanDerWaalsContact CE1-CD1 3.42Å; F585-I640 HydrophobicContact CE1-CG1 3.72Å; F585-I640 HydrophobicContact CE2-CG2 3.95Å; F585-I640 HydrophobicContact CG-CG1 4.26Å; F585-I640 HydrophobicContact CZ-CD1 3.75Å; F585-I640 HydrophobicContact CZ-CG1 4.08Å; F585-I640 HydrophobicContact CZ-CG2 4.09Å
586D95.8Very high90Very high68 Ų6865 Ų6536%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-124.3101.1-175.4-171.36.3000109V588 G638 C639 R641D586-V588 PolarHBondContact O-N 3.2Å; D586-G638 CarbonylContact O-C 3.59Å; D586-G638 WeakPolarHBondContact O-CA 3.32Å; D586-C639 PolarHBondContact N-O 3.49Å; D586-C639 PolarHBondContact O-N 3.02Å; D586-R641 IonicContact OD2-CZ 2.69Å; D586-R641 IonicContact OD2-NH1 2.65Å; D586-R641 PolarHBondContact OD2-NH1 2.91Å; D586-R641 IonicContact OD2-NH2 2.92Å; D586-R641 PolarHBondContact OD2-NH2 3.06Å
587S94.6Very high89.8Confident42 Ų4269.3 Ų69.329%0.29436%0.355SS..EExtended strand (participates in β ladder)trans44.854-178.8-75.60000113.8Y589 D601 S603 G638S587-Y589 WeakPolarHBondContact O-CD2 3.48Å; S587-Y589 WeakPolarHBondContact O-CE2 3.04Å; S587-D601 WeakPolarHBondContact CA-OD1 3.29Å; S587-D601 WeakPolarHBondContact CB-OD1 3.42Å; S587-D601 PolarHBondContact OG-OD1 3.23Å; S587-S603 WeakPolarHBondContact CA-OG 3.38Å; S587-S603 PolarHBondContact N-OG 2.63Å; S587-G638 WeakPolarHBondContact O-CA 3.39Å; S587-G638 PolarHBondContact O-N 3.47Å
588V95.4Very high89.8Confident0 Ų064.6 Ų64.60%033%0.333CS..EExtended strand (participates in β ladder)trans-77.2127.3-173.21760000111.8F585 D586 D601 V602 L628 V635 G637 C639 I640F585-V588 HydrophobicContact CB-CG2 4.12Å; F585-V588 HydrophobicContact CD1-CB 4.18Å; F585-V588 HydrophobicContact CD1-CG1 4.46Å; F585-V588 HydrophobicContact CD1-CG2 3.71Å; F585-V588 HydrophobicContact CG-CG2 4.31Å; D586-V588 PolarHBondContact O-N 3.2Å; V588-D601 PolarHBondContact O-N 3.33Å; V588-V602 PolarHBondContact N-O 3.48Å; V588-V602 PolarHBondContact O-N 2.83Å; V588-V602 VanDerWaalsContact O-N 3.14Å; V588-L628 HydrophobicContact CG1-CD1 4.28Å; V588-V635 HydrophobicContact CG1-CB 4.32Å; V588-V635 HydrophobicContact CG1-CG1 3.61Å; V588-G637 WeakPolarHBondContact CA-O 3.32Å; V588-C639 WeakPolarHBondContact CG2-O 3.22Å; V588-I640 HydrophobicContact CG2-CG1 3.84Å
589Y93.6Very high89.9Confident89 Ų8961.8 Ų61.835%0.34932%0.321SS..EExtended strand (participates in β ladder)trans-116.8133.9172.7-61.8-94.3000110.6S587 D601 Q636 G637S587-Y589 WeakPolarHBondContact O-CD2 3.48Å; S587-Y589 WeakPolarHBondContact O-CE2 3.04Å; Y589-D601 HydrophobicContact CE1-CB 3.99Å; Y589-D601 HydrophobicContact CE2-CB 4.43Å; Y589-D601 WeakPolarHBondContact OH-CB 3.38Å; Y589-Q636 PolarHBondContact O-N 3.13Å; Y589-G637 PolarHBondContact N-O 3.17Å; Y589-G637 PolarHBondContact O-N 3.31Å
590F93.6Very high90.1Very high3 Ų358.8 Ų58.81%0.01331%0.306CS..EExtended strand (participates in β ladder)trans-152.9138.9179.9-178.3-98.8000113.8Y592 I598 L599 T624 L628 Y633F590-Y592 AromaticContact CE1-CD1 3.82Å; F590-Y592 HydrophobicContact CE1-CD1 3.82Å; F590-Y592 AromaticContact CE1-CD2 3.96Å; F590-Y592 HydrophobicContact CE1-CD2 3.96Å; F590-Y592 AromaticContact CE1-CE1 3.78Å; F590-Y592 HydrophobicContact CE1-CE1 3.78Å; F590-Y592 AromaticContact CE1-CE2 3.91Å; F590-Y592 HydrophobicContact CE1-CE2 3.91Å; F590-Y592 AromaticContact CE1-CG 3.9Å; F590-Y592 HydrophobicContact CE1-CG 3.9Å; F590-Y592 AromaticContact CE1-CZ 3.82Å; F590-Y592 AromaticContact CZ-CD1 3.91Å; F590-Y592 HydrophobicContact CZ-CD1 3.91Å; F590-Y592 HydrophobicContact CZ-CE1 4.03Å; F590-Y592 HydrophobicContact CZ-CG 4.31Å; F590-I598 PolarHBondContact O-N 3.36Å; F590-L599 HydrophobicContact CB-CB 4.26Å; F590-L599 HydrophobicContact CB-CD1 4.38Å; F590-L599 PolarHBondContact N-O 3.22Å; F590-L599 VanDerWaalsContact N-O 3.1Å; F590-L599 PolarHBondContact O-N 3.13Å; F590-L599 VanDerWaalsContact O-N 3.11Å; F590-T624 HydrophobicContact CD1-CG2 3.36Å; F590-T624 HydrophobicContact CE1-CG2 3.53Å; F590-T624 HydrophobicContact CG-CG2 4.34Å; F590-L628 HydrophobicContact CB-CD1 3.97Å; F590-L628 HydrophobicContact CD1-CD1 4.39Å; F590-L628 HydrophobicContact CD2-CD1 4.42Å; F590-L628 HydrophobicContact CD2-CD2 3.72Å; F590-L628 HydrophobicContact CE2-CD2 3.95Å; F590-L628 HydrophobicContact CG-CD1 3.99Å; F590-L628 HydrophobicContact CG-CD2 4.12Å; F590-Y633 HydrophobicContact CE2-CD1 4.22Å; F590-Y633 HydrophobicContact CE2-CG 4.03Å; F590-Y633 AromaticContact CZ-CD1 3.78Å; F590-Y633 HydrophobicContact CZ-CD1 3.78Å; F590-Y633 HydrophobicContact CZ-CD2 4.3Å; F590-Y633 HydrophobicContact CZ-CE1 4.45Å; F590-Y633 AromaticContact CZ-CG 3.68Å; F590-Y633 HydrophobicContact CZ-CG 3.68Å
591S90.4Very high90.4Very high7 Ų756.8 Ų56.85%0.04930%0.295CS..EExtended strand (participates in β ladder)trans-134.3141.5169.961.70000111K596 Q636S591-K596 WeakPolarHBondContact CB-O 3.4Å; S591-Q636 PolarHBondContact O-NE2 2.92Å; S591-Q636 PolarHBondContact OG-NE2 3.48Å; S591-Q636 PolarHBondContact OG-OE1 3.26Å
592Y85.3Confident90.6Very high52 Ų5256.8 Ų56.820%0.20430%0.295CS..EExtended strand (participates in β ladder)trans-77.1-31.4172.4-70.8-79.2000112.3R352 F590 I598 T624 R627 Y633R352-Y592 PolarHBondContact NE-O 2.97Å; R352-Y592 VanDerWaalsContact NE-O 3.15Å; R352-Y592 PolarHBondContact NH1-O 3.43Å; R352-Y592 PolarHBondContact NH2-O 3.13Å; R352-Y592 VanDerWaalsContact NH2-O 3.07Å; F590-Y592 AromaticContact CE1-CD1 3.82Å; F590-Y592 HydrophobicContact CE1-CD1 3.82Å; F590-Y592 AromaticContact CE1-CD2 3.96Å; F590-Y592 HydrophobicContact CE1-CD2 3.96Å; F590-Y592 AromaticContact CE1-CE1 3.78Å; F590-Y592 HydrophobicContact CE1-CE1 3.78Å; F590-Y592 AromaticContact CE1-CE2 3.91Å; F590-Y592 HydrophobicContact CE1-CE2 3.91Å; F590-Y592 AromaticContact CE1-CG 3.9Å; F590-Y592 HydrophobicContact CE1-CG 3.9Å; F590-Y592 AromaticContact CE1-CZ 3.82Å; F590-Y592 AromaticContact CZ-CD1 3.91Å; F590-Y592 HydrophobicContact CZ-CD1 3.91Å; F590-Y592 HydrophobicContact CZ-CE1 4.03Å; F590-Y592 HydrophobicContact CZ-CG 4.31Å; Y592-I598 HydrophobicContact CD2-CG1 3.79Å; Y592-I598 HydrophobicContact CE2-CG1 4.14Å; Y592-T624 HydrophobicContact CE2-CG2 4.14Å; Y592-T624 WeakPolarHBondContact CE2-OG1 3.33Å; Y592-T624 PolarHBondContact OH-OG1 3.4Å; Y592-R627 PolarHBondContact OH-NH1 3.11Å; Y592-Y633 AromaticContact CD1-CE1 3.88Å; Y592-Y633 HydrophobicContact CD1-CE1 3.88Å; Y592-Y633 AromaticContact CD1-CZ 3.91Å; Y592-Y633 HydrophobicContact CE1-CD2 4.31Å; Y592-Y633 AromaticContact CE1-CE1 3.95Å; Y592-Y633 HydrophobicContact CE1-CE1 3.95Å; Y592-Y633 AromaticContact CE1-CE2 3.75Å; Y592-Y633 HydrophobicContact CE1-CE2 3.75Å; Y592-Y633 AromaticContact CE1-CZ 3.55Å
593T82.1Confident90.6Very high102 Ų10254.1 Ų54.163%0.62629%0.293SS*.EExtended strand (participates in β ladder)trans-135139.3178.9-49.60000107.3G595 K596T593-G595 PolarHBondContact O-N 3.46Å; T593-K596 PolarHBondContact O-N 2.94Å; T593-K596 VanDerWaalsContact O-N 3.15Å
594N76.5Confident90.6Very high149 Ų14954.5 Ų54.580%0.79730%0.295SS*.THydrogen-bonded Turntrans-51.8128.8176.6-65.5-16.4000110.1
595G74.1Confident90.5Very high86 Ų8654.8 Ų54.889%0.88730%0.299SS*.THydrogen-bonded Turntrans96.4-11179.300000116T593T593-G595 PolarHBondContact O-N 3.46Å
596K84.4Confident90.5Very high151 Ų15154.5 Ų54.566%0.65730%0.298SS*.EExtended strand (participates in β ladder)trans-123.390.5173.4-168.9176.5-179.11770111.9S591 T593 I598S591-K596 WeakPolarHBondContact CB-O 3.4Å; T593-K596 PolarHBondContact O-N 2.94Å; T593-K596 VanDerWaalsContact O-N 3.15Å; K596-I598 HydrophobicContact CG-CD1 4.36Å
597E87.4Confident90.5Very high102 Ų10255.5 Ų55.548%0.47730%0.303SS..EExtended strand (participates in β ladder)trans-66.7129.4173.4-63.9177.9162.400111.2R600E597-R600 HydrophobicContact CB-CG 4.04Å; E597-R600 WeakPolarHBondContact OE2-CG 3.37Å; E597-R600 IonicContact OE2-CZ 2.74Å; E597-R600 IonicContact OE2-NE 2.73Å; E597-R600 PolarHBondContact OE2-NE 3.05Å
598I92.3Very high90.4Very high33 Ų3356.2 Ų56.217%0.16931%0.306CS..EExtended strand (participates in β ladder)trans-103-37.3176.3-60.1-58.8000110.9F590 Y592 K596 T624 G793F590-I598 PolarHBondContact O-N 3.36Å; Y592-I598 HydrophobicContact CD2-CG1 3.79Å; Y592-I598 HydrophobicContact CE2-CG1 4.14Å; K596-I598 HydrophobicContact CG-CD1 4.36Å; I598-T624 HydrophobicContact CG2-CG2 4.39Å; I598-G793 WeakPolarHBondContact O-CA 3.29Å
599L93.2Very high90.1Very high0 Ų058 Ų580%033%0.325CS..EExtended strand (participates in β ladder)trans-120.1133.2174.1-58.7179.3000109.1F590 V602 T624 I625 L628F590-L599 HydrophobicContact CB-CB 4.26Å; F590-L599 HydrophobicContact CB-CD1 4.38Å; F590-L599 PolarHBondContact N-O 3.22Å; F590-L599 VanDerWaalsContact N-O 3.1Å; F590-L599 PolarHBondContact O-N 3.13Å; F590-L599 VanDerWaalsContact O-N 3.11Å; L599-V602 HydrophobicContact CB-CG2 4.09Å; L599-V602 HydrophobicContact CD2-CG2 4.24Å; L599-T624 HydrophobicContact CD1-CG2 4.02Å; L599-T624 HydrophobicContact CG-CG2 4.29Å; L599-I625 HydrophobicContact CD1-CG1 3.88Å; L599-I625 HydrophobicContact CD2-CD1 4.47Å; L599-I625 HydrophobicContact CD2-CG1 4.16Å; L599-L628 HydrophobicContact CD1-CD1 3.5Å
600R92.6Very high90.1Very high85 Ų8555 Ų5532%0.32131%0.314SS..EExtended strand (participates in β ladder)trans-130.4109.3-176.2-64.7176.1172.6155.21.8108.8E597 V602 G793 R794E597-R600 HydrophobicContact CB-CG 4.04Å; E597-R600 WeakPolarHBondContact OE2-CG 3.37Å; E597-R600 IonicContact OE2-CZ 2.74Å; E597-R600 IonicContact OE2-NE 2.73Å; E597-R600 PolarHBondContact OE2-NE 3.05Å; R600-V602 PolarHBondContact O-N 2.84Å; R600-G793 PolarHBondContact N-O 3.22Å; R600-R794 HydrophobicContact CB-CG 3.98Å; R600-R794 WeakPolarHBondContact O-CG 3.45Å
601D92.3Very high90.1Very high77 Ų7756.4 Ų56.441%0.41232%0.323SS..EExtended strand (participates in β ladder)trans50.751.8176-164.921.1000113.7S587 V588 Y589S587-D601 WeakPolarHBondContact CA-OD1 3.29Å; S587-D601 WeakPolarHBondContact CB-OD1 3.42Å; S587-D601 PolarHBondContact OG-OD1 3.23Å; V588-D601 PolarHBondContact O-N 3.33Å; Y589-D601 HydrophobicContact CE1-CB 3.99Å; Y589-D601 HydrophobicContact CE2-CB 4.43Å; Y589-D601 WeakPolarHBondContact OH-CB 3.38Å
602V94.3Very high90.3Very high0 Ų056.1 Ų56.10%032%0.321CS..EExtended strand (participates in β ladder)trans-87.8116.2-179.71770000109.7V588 L599 R600 F604 I625 G793 I795V588-V602 PolarHBondContact N-O 3.48Å; V588-V602 PolarHBondContact O-N 2.83Å; V588-V602 VanDerWaalsContact O-N 3.14Å; L599-V602 HydrophobicContact CB-CG2 4.09Å; L599-V602 HydrophobicContact CD2-CG2 4.24Å; R600-V602 PolarHBondContact O-N 2.84Å; V602-F604 HydrophobicContact CG1-CD1 3.85Å; V602-F604 HydrophobicContact CG1-CE1 3.84Å; V602-I625 HydrophobicContact CG1-CD1 4.38Å; V602-G793 WeakPolarHBondContact CG2-O 3.22Å; V602-I795 HydrophobicContact CG1-CD1 4.09Å; V602-I795 HydrophobicContact CG1-CG1 4.18Å
603S95.3Very high90.8Very high52 Ų5253.6 Ų53.636%0.36431%0.311SS..EExtended strand (participates in β ladder)trans-130119.1-178-63.40000111.9F585 S587 I795F585-S603 VanDerWaalsContact O-CA 3.26Å; F585-S603 WeakPolarHBondContact O-CA 3.37Å; S587-S603 WeakPolarHBondContact CA-OG 3.38Å; S587-S603 PolarHBondContact N-OG 2.63Å; S603-I795 WeakPolarHBondContact O-CD1 3.49Å
604F95.8Very high91.4Very high7 Ų748.8 Ų48.83%0.03128%0.281CS..EExtended strand (participates in β ladder)trans-160.5164.7174.666.9-83.8000111.9F585 V602 V606 I625 L788 I795F585-F604 HydrophobicContact CB-CD1 3.83Å; F585-F604 HydrophobicContact CB-CE1 3.78Å; F585-F604 HydrophobicContact CB-CG 4.46Å; F585-F604 HydrophobicContact CB-CZ 4.36Å; F585-F604 AromaticContact CD1-CE1 3.94Å; F585-F604 HydrophobicContact CD1-CE1 3.94Å; F585-F604 HydrophobicContact CD1-CZ 4.32Å; F585-F604 HydrophobicContact CD2-CD1 4.41Å; F585-F604 AromaticContact CD2-CE1 3.7Å; F585-F604 HydrophobicContact CD2-CE1 3.7Å; F585-F604 AromaticContact CD2-CE2 3.94Å; F585-F604 HydrophobicContact CD2-CE2 3.94Å; F585-F604 AromaticContact CD2-CZ 3.42Å; F585-F604 HydrophobicContact CD2-CZ 3.42Å; F585-F604 VanDerWaalsContact CD2-CZ 3.42Å; F585-F604 HydrophobicContact CE2-CE1 4.29Å; F585-F604 HydrophobicContact CE2-CE2 4.35Å; F585-F604 AromaticContact CE2-CZ 3.72Å; F585-F604 HydrophobicContact CE2-CZ 3.72Å; F585-F604 HydrophobicContact CG-CD1 4.11Å; F585-F604 AromaticContact CG-CE1 3.52Å; F585-F604 HydrophobicContact CG-CE1 3.52Å; F585-F604 AromaticContact CG-CZ 3.78Å; F585-F604 HydrophobicContact CG-CZ 3.78Å; F585-F604 HydrophobicContact CZ-CZ 4.31Å; F585-F604 PolarHBondContact N-O 3.42Å; F585-F604 PolarHBondContact O-N 3.26Å; V602-F604 HydrophobicContact CG1-CD1 3.85Å; V602-F604 HydrophobicContact CG1-CE1 3.84Å; F604-V606 HydrophobicContact CD2-CG2 4.02Å; F604-V606 HydrophobicContact CE2-CG2 3.78Å; F604-I625 HydrophobicContact CE1-CD1 4.36Å; F604-I625 HydrophobicContact CE1-CG2 4.39Å; F604-I625 HydrophobicContact CZ-CG2 3.95Å; F604-L788 HydrophobicContact CB-CD1 3.81Å; F604-L788 HydrophobicContact CD1-CD1 4.07Å; F604-L788 HydrophobicContact CD2-CD1 3.59Å; F604-L788 HydrophobicContact CE2-CD1 4.13Å; F604-L788 HydrophobicContact CG-CD1 3.55Å; F604-I795 HydrophobicContact CB-CD1 4.01Å; F604-I795 HydrophobicContact CD1-CD1 3.96Å; F604-I795 HydrophobicContact CG-CD1 4.38Å
605T95.9Very high92.2Very high40 Ų4041.8 Ų41.825%0.24524%0.244CC..EExtended strand (participates in β ladder)trans-129.8135.2178.1-52.30000109.9R582 V583 E584 L607R582-T605 HydrophobicContact CG-CG2 4.05Å; V583-T605 CarbonylContact O-C 3.54Å; V583-T605 WeakPolarHBondContact O-CA 3.36Å; E584-T605 HydrophobicContact CG-CG2 3.82Å; T605-L607 HydrophobicContact CG2-CD2 4.33Å
606V96Very high92.9Very high0 Ų038.1 Ų38.10%021%0.206CC..EExtended strand (participates in β ladder)trans-106.6117.8171.2-168.90000107.4R582 V583 F604 Q610 V612 T770 V772R582-V606 WeakPolarHBondContact CA-O 3.49Å; V583-V606 HydrophobicContact CB-CB 4.14Å; V583-V606 HydrophobicContact CB-CG2 4.29Å; V583-V606 PolarHBondContact N-O 3.03Å; V583-V606 PolarHBondContact O-N 2.83Å; F604-V606 HydrophobicContact CD2-CG2 4.02Å; F604-V606 HydrophobicContact CE2-CG2 3.78Å; V606-Q610 HydrophobicContact CG1-CB 4.46Å; V606-V612 HydrophobicContact CB-CG2 4.19Å; V606-V612 HydrophobicContact CG1-CB 4.2Å; V606-V612 HydrophobicContact CG1-CG2 3.72Å; V606-V612 HydrophobicContact CG2-CB 4.14Å; V606-V612 HydrophobicContact CG2-CG2 3.98Å; V606-T770 HydrophobicContact CB-CG2 4.21Å; V606-T770 HydrophobicContact CG1-CG2 3.48Å; V606-T770 VanDerWaalsContact CG1-CG2 3.48Å; V606-V772 HydrophobicContact CG2-CG2 4.16Å
607L94.6Very high93Very high88 Ų8834 Ų3446%0.46120%0.195SC..  trans-77.2157.3179.4-62.3175.9000111.3T605 G609 Q610T605-L607 HydrophobicContact CG2-CD2 4.33Å; L607-G609 PolarHBondContact O-N 2.82Å; L607-Q610 HydrophobicContact CB-CB 4.07Å; L607-Q610 VanDerWaalsContact CB-OE1 3.31Å; L607-Q610 WeakPolarHBondContact O-CB 3.29Å; L607-Q610 PolarHBondContact O-N 3.23Å
608P93.1Very high92.8Very high58 Ų5834 Ų3438%0.37721%0.207SC..THydrogen-bonded Turntrans-50.6128.2173.4-30.539000112.7L580 R582 Q610L580-P608 HydrophobicContact CB-CB 4.18Å; L580-P608 HydrophobicContact CB-CG 3.56Å; L580-P608 VanDerWaalsContact O-CB 3.25Å; L580-P608 WeakPolarHBondContact O-CB 3.3Å; R582-P608 HydrophobicContact CB-CG 4.29Å; P608-Q610 PolarHBondContact O-N 3.4Å; P608-Q610 VanDerWaalsContact O-N 3.15Å
609G89.5Confident92.3Very high37 Ų3736 Ų3638%0.38124%0.235SC..THydrogen-bonded Turntrans71.20.4179.100000115.1L607 T770L607-G609 PolarHBondContact O-N 2.82Å; G609-T770 PolarHBondContact N-OG1 3.4Å
610Q93.3Very high91.9Very high25 Ų2536.2 Ų36.212%0.11724%0.236CC..  trans-80.5143.3177.9-167.5-175.45.300110.8V606 L607 P608 V612 T771 D785V606-Q610 HydrophobicContact CG1-CB 4.46Å; L607-Q610 HydrophobicContact CB-CB 4.07Å; L607-Q610 VanDerWaalsContact CB-OE1 3.31Å; L607-Q610 WeakPolarHBondContact O-CB 3.29Å; L607-Q610 PolarHBondContact O-N 3.23Å; P608-Q610 PolarHBondContact O-N 3.4Å; P608-Q610 VanDerWaalsContact O-N 3.15Å; Q610-V612 HydrophobicContact CG-CG2 4.25Å; Q610-T771 PolarHBondContact O-N 2.91Å; Q610-D785 HydrophobicContact CG-CB 3.51Å
611T94.1Very high91.6Very high34 Ų3432.4 Ų32.421%0.20922%0.224CC..EExtended strand (participates in β ladder)trans-100.1114.9169-580000110.5T771 V773 A784 D785 Q786T611-T771 WeakPolarHBondContact CA-O 3.18Å; T611-T771 HydrophobicContact CG2-CG2 4.24Å; T611-V773 HydrophobicContact CG2-CG2 4Å; T611-A784 HydrophobicContact CG2-CB 4.34Å; T611-D785 PolarHBondContact N-OD2 3.47Å; T611-D785 PolarHBondContact O-N 2.87Å; T611-Q786 PolarHBondContact O-N 3.18Å
612V95.4Very high91.5Very high0 Ų029.2 Ų29.20%021%0.206CC..EExtended strand (participates in β ladder)trans-108.5124.8176172.80000110.2V606 Q610 L614 T771 V772 V773 Q786 L788V606-V612 HydrophobicContact CB-CG2 4.19Å; V606-V612 HydrophobicContact CG1-CB 4.2Å; V606-V612 HydrophobicContact CG1-CG2 3.72Å; V606-V612 HydrophobicContact CG2-CB 4.14Å; V606-V612 HydrophobicContact CG2-CG2 3.98Å; Q610-V612 HydrophobicContact CG-CG2 4.25Å; V612-L614 HydrophobicContact CG1-CD2 4.43Å; V612-T771 PolarHBondContact N-O 3.32Å; V612-V772 CarbonylContact O-C 3.59Å; V612-V772 WeakPolarHBondContact O-CA 3.46Å; V612-V773 PolarHBondContact O-N 2.96Å; V612-Q786 CarbonylContact C-O 3.59Å; V612-Q786 WeakPolarHBondContact CA-O 3.47Å; V612-Q786 HydrophobicContact CG2-CB 4.29Å; V612-L788 HydrophobicContact CG1-CD1 3.77Å; V612-L788 HydrophobicContact CG1-CG 4.11Å
613A94.6Very high91.3Very high0 Ų030.6 Ų30.60%022%0.216CC..EExtended strand (participates in β ladder)trans-98.6139.5177.200000111.9V773 I781 A784 Q786 I787 L788A613-V773 CarbonylContact C-O 2.95Å; A613-V773 VanDerWaalsContact CA-O 3.26Å; A613-V773 WeakPolarHBondContact CA-O 3.39Å; A613-I781 HydrophobicContact CB-CB 3.68Å; A613-I781 HydrophobicContact CB-CD1 4.04Å; A613-I781 HydrophobicContact CB-CG1 4.48Å; A613-I781 HydrophobicContact CB-CG2 3.54Å; A613-A784 HydrophobicContact CB-CB 3.75Å; A613-Q786 PolarHBondContact N-O 2.94Å; A613-I787 HydrophobicContact CB-CG1 4.2Å; A613-I787 HydrophobicContact CB-CG2 4.49Å; A613-I787 CarbonylContact O-C 3.39Å; A613-L788 PolarHBondContact O-N 2.91Å
614L94.3Very high91.1Very high0 Ų028.6 Ų28.60%020%0.201CC..EExtended strand (participates in β ladder)trans-113.3120.6175.4-54.5-179.7000108.9V612 I625 V772 V773 V774 A775 L788 I790V612-L614 HydrophobicContact CG1-CD2 4.43Å; L614-I625 HydrophobicContact CD1-CB 4.08Å; L614-I625 HydrophobicContact CD1-CD1 4.09Å; L614-I625 HydrophobicContact CD1-CG2 3.86Å; L614-V772 HydrophobicContact CD1-CG1 3.87Å; L614-V772 HydrophobicContact CG-CG1 4.14Å; L614-V773 PolarHBondContact N-O 3.14Å; L614-V774 HydrophobicContact CB-CG2 4Å; L614-V774 HydrophobicContact CD1-CG2 3.87Å; L614-V774 HydrophobicContact CG-CG2 4.39Å; L614-A775 PolarHBondContact O-N 3.28Å; L614-L788 WeakPolarHBondContact CA-O 3.46Å; L614-L788 HydrophobicContact CD2-CB 3.87Å; L614-L788 HydrophobicContact CD2-CD1 3.82Å; L614-L788 HydrophobicContact CD2-CG 4.37Å; L614-I790 HydrophobicContact CB-CD1 4.37Å; L614-I790 HydrophobicContact CD2-CD1 4.27Å
615V92.9Very high91Very high2 Ų228.3 Ų28.31%0.01220%0.2CC..EExtended strand (participates in β ladder)trans-132.5163.3-179.7-64.10000111.5A775 L778 I781 I787 L788 V789 I790 Y811 M814V615-A775 HydrophobicContact CG1-CB 4.42Å; V615-L778 HydrophobicContact CB-CD2 4.39Å; V615-L778 HydrophobicContact CG1-CD2 3.99Å; V615-I781 HydrophobicContact CG1-CD1 3.15Å; V615-I787 HydrophobicContact CG1-CG2 4.41Å; V615-I787 HydrophobicContact CG2-CG2 3.68Å; V615-L788 PolarHBondContact N-O 3.32Å; V615-V789 HydrophobicContact CG2-CB 4.17Å; V615-V789 HydrophobicContact CG2-CG1 4.33Å; V615-V789 HydrophobicContact CG2-CG2 3.71Å; V615-V789 CarbonylContact O-C 3.59Å; V615-V789 WeakPolarHBondContact O-CA 3.37Å; V615-I790 PolarHBondContact O-N 2.95Å; V615-Y811 HydrophobicContact CG2-CD2 4.13Å; V615-Y811 HydrophobicContact CG2-CE2 4.43Å; V615-M814 HydrophobicContact CG2-CE 4.19Å
616G90.5Very high90.9Very high10 Ų1026.8 Ų26.810%0.10319%0.191CC..  trans148.7171.617800000112.3K622 I790G616-K622 PolarHBondContact O-NZ 3.38Å; G616-I790 WeakPolarHBondContact CA-O 3.45Å
617P85.4Confident90.7Very high63 Ų6330.7 Ų30.741%0.40921%0.205SC..SBendtrans-58.2158.9-178.723-33.3000112.7G619 S620 K622P617-G619 PolarHBondContact O-N 3.01Å; P617-S620 VanDerWaalsContact O-CB 3.25Å; P617-S620 WeakPolarHBondContact O-CB 3.29Å; P617-S620 PolarHBondContact O-N 3.37Å; P617-S620 PolarHBondContact O-OG 2.81Å; P617-K622 PolarHBondContact O-NZ 3.14Å
618S83.4Confident90.7Very high104 Ų10426.5 Ų26.573%0.72718%0.183SC*.THydrogen-bonded Turntrans-56.1135.4174.5-64.10000110.9S620S618-S620 VanDerWaalsContact C-N 3.35Å; S618-S620 PolarHBondContact O-N 3.23Å
619G81.3Confident90.7Very high75 Ų7523.8 Ų23.877%0.77317%0.166SC*.THydrogen-bonded Turntrans81.81.5-177.700000116.2P617 G621P617-G619 PolarHBondContact O-N 3.01Å; G619-G621 PolarHBondContact O-N 2.75Å
620S85.1Confident90.9Very high3 Ų323.4 Ų23.42%0.02115%0.153CC..SBendtrans-64.7-12.217746.30000115.8P617 S618 K622 I790P617-S620 VanDerWaalsContact O-CB 3.25Å; P617-S620 WeakPolarHBondContact O-CB 3.29Å; P617-S620 PolarHBondContact O-N 3.37Å; P617-S620 PolarHBondContact O-OG 2.81Å; S618-S620 VanDerWaalsContact C-N 3.35Å; S618-S620 PolarHBondContact O-N 3.23Å; S620-K622 PolarHBondContact OG-NZ 2.84Å; S620-I790 VanDerWaalsContact CB-O 3.23Å; S620-I790 WeakPolarHBondContact CB-O 3.42Å; S620-I790 VanDerWaalsContact O-CG2 3.23Å; S620-I790 WeakPolarHBondContact O-CG2 3.42Å
621G86.8Confident90.9Very high6 Ų622.4 Ų22.46%0.06215%0.149CC..SBendtrans102.17.5178.200000116.1G619 S623 T624 I625G619-G621 PolarHBondContact O-N 2.75Å; G621-S623 PolarHBondContact O-N 2.96Å; G621-T624 WeakPolarHBondContact O-CA 3.4Å; G621-T624 WeakPolarHBondContact O-CB 3.42Å; G621-T624 PolarHBondContact O-N 3.43Å; G621-T624 VanDerWaalsContact O-N 3.07Å; G621-I625 PolarHBondContact O-N 2.84Å
622K90.8Very high90.8Very high10 Ų1024 Ų244%0.04315%0.153CC..Hα-helixtrans-51.7-57.6-179.9-57.5-179-61.8-770113.9G616 P617 S620 T624 I625 V774 I790G616-K622 PolarHBondContact O-NZ 3.38Å; P617-K622 PolarHBondContact O-NZ 3.14Å; S620-K622 PolarHBondContact OG-NZ 2.84Å; K622-T624 PolarHBondContact O-N 3.02Å; K622-I625 WeakPolarHBondContact O-CB 3.49Å; K622-I625 PolarHBondContact O-N 3.06Å; K622-V774 HydrophobicContact CB-CG1 3.69Å; K622-V774 HydrophobicContact CB-CG2 4.05Å; K622-V774 HydrophobicContact CD-CG1 4.07Å; K622-V774 HydrophobicContact CG-CG1 4.48Å; K622-I790 HydrophobicContact CG-CD1 4.31Å
623S89Confident90.6Very high29 Ų2924.2 Ų24.220%0.20315%0.154CC..Hα-helixtrans-66.9-21.4179.4-43.30000112.6G621 I625 I626 R627 D744G621-S623 PolarHBondContact O-N 2.96Å; S623-I625 VanDerWaalsContact C-N 3.34Å; S623-I626 PolarHBondContact O-N 3.33Å; S623-R627 WeakPolarHBondContact O-CD 3.33Å; S623-R627 VanDerWaalsContact O-CG 3.23Å; S623-R627 WeakPolarHBondContact O-CG 3.3Å; S623-R627 PolarHBondContact O-N 3.25Å; S623-D744 PolarHBondContact OG-OD1 3.34Å
624T91.9Very high90.4Very high9 Ų927.1 Ų27.16%0.05517%0.169CC..Hα-helixtrans-66.4-36.7172.7-54.70000111.3F590 Y592 I598 L599 G621 K622 R627 L628F590-T624 HydrophobicContact CD1-CG2 3.36Å; F590-T624 HydrophobicContact CE1-CG2 3.53Å; F590-T624 HydrophobicContact CG-CG2 4.34Å; Y592-T624 HydrophobicContact CE2-CG2 4.14Å; Y592-T624 WeakPolarHBondContact CE2-OG1 3.33Å; Y592-T624 PolarHBondContact OH-OG1 3.4Å; I598-T624 HydrophobicContact CG2-CG2 4.39Å; L599-T624 HydrophobicContact CD1-CG2 4.02Å; L599-T624 HydrophobicContact CG-CG2 4.29Å; G621-T624 WeakPolarHBondContact O-CA 3.4Å; G621-T624 WeakPolarHBondContact O-CB 3.42Å; G621-T624 PolarHBondContact O-N 3.43Å; G621-T624 VanDerWaalsContact O-N 3.07Å; K622-T624 PolarHBondContact O-N 3.02Å; T624-R627 PolarHBondContact O-N 2.97Å; T624-L628 HydrophobicContact CG2-CD1 4.09Å; T624-L628 HydrophobicContact CG2-CG 4.37Å; T624-L628 WeakPolarHBondContact O-CB 3.35Å; T624-L628 VanDerWaalsContact O-CG 3.31Å; T624-L628 WeakPolarHBondContact O-CG 3.36Å; T624-L628 PolarHBondContact O-N 2.9Å
625I93.6Very high90.3Very high1 Ų129 Ų291%0.00518%0.181CC..Hα-helixtrans-62.3-46175.5-67.4174.2000110.8F585 L599 V602 F604 L614 G621 K622 S623 R627 L628 L629 I790F585-I625 HydrophobicContact CE1-CG2 3.93Å; F585-I625 HydrophobicContact CE2-CG2 4.32Å; F585-I625 HydrophobicContact CZ-CG2 3.68Å; L599-I625 HydrophobicContact CD1-CG1 3.88Å; L599-I625 HydrophobicContact CD2-CD1 4.47Å; L599-I625 HydrophobicContact CD2-CG1 4.16Å; V602-I625 HydrophobicContact CG1-CD1 4.38Å; F604-I625 HydrophobicContact CE1-CD1 4.36Å; F604-I625 HydrophobicContact CE1-CG2 4.39Å; F604-I625 HydrophobicContact CZ-CG2 3.95Å; L614-I625 HydrophobicContact CD1-CB 4.08Å; L614-I625 HydrophobicContact CD1-CD1 4.09Å; L614-I625 HydrophobicContact CD1-CG2 3.86Å; G621-I625 PolarHBondContact O-N 2.84Å; K622-I625 WeakPolarHBondContact O-CB 3.49Å; K622-I625 PolarHBondContact O-N 3.06Å; S623-I625 VanDerWaalsContact C-N 3.34Å; I625-R627 VanDerWaalsContact C-N 3.34Å; I625-R627 PolarHBondContact O-N 3.46Å; I625-L628 PolarHBondContact O-N 2.94Å; I625-L629 WeakPolarHBondContact O-CB 3.31Å; I625-L629 PolarHBondContact O-N 2.88Å; I625-I790 HydrophobicContact CD1-CD1 3.33Å
626I92.9Very high90.1Very high9 Ų934 Ų345%0.04620%0.204CC..Hα-helixtrans-58.3-46.9174.7-72.3179.2000110.6S623 L628 L629 F630 L742 D744 V774S623-I626 PolarHBondContact O-N 3.33Å; I626-L628 VanDerWaalsContact C-N 3.32Å; I626-L628 PolarHBondContact O-N 3.19Å; I626-L629 PolarHBondContact O-N 2.74Å; I626-F630 PolarHBondContact O-N 3Å; I626-L742 HydrophobicContact CG2-CB 4.27Å; I626-L742 HydrophobicContact CG2-CD1 3.94Å; I626-D744 HydrophobicContact CD1-CB 3.76Å; I626-V774 HydrophobicContact CD1-CB 4Å; I626-V774 HydrophobicContact CD1-CG2 3.37Å; I626-V774 HydrophobicContact CG1-CG2 3.94Å
627R92.5Very high90.1Very high82 Ų8234.5 Ų34.531%0.30921%0.209SC..Hα-helixtrans-63.2-36-179.9-70.6167.1-177.3-176.80.3112.8Y592 S623 T624 I625 R631 F632 Y633Y592-R627 PolarHBondContact OH-NH1 3.11Å; S623-R627 WeakPolarHBondContact O-CD 3.33Å; S623-R627 VanDerWaalsContact O-CG 3.23Å; S623-R627 WeakPolarHBondContact O-CG 3.3Å; S623-R627 PolarHBondContact O-N 3.25Å; T624-R627 PolarHBondContact O-N 2.97Å; I625-R627 VanDerWaalsContact C-N 3.34Å; I625-R627 PolarHBondContact O-N 3.46Å; R627-R631 PolarHBondContact O-N 3.46Å; R627-F632 HydrophobicContact CB-CB 4.47Å; R627-F632 HydrophobicContact CB-CD2 4.35Å; R627-F632 HydrophobicContact CG-CD2 4.28Å; R627-F632 PolarHBondContact O-N 3.31Å; R627-Y633 HydrophobicContact CB-CD2 4.15Å; R627-Y633 HydrophobicContact CB-CE2 4.29Å
628L94.1Very high90.4Very high0 Ų033.6 Ų33.60%021%0.211CC..Hα-helixtrans-72.1-41.6175.7-72.9170.1000112V588 F590 L599 T624 I625 I626 F630 R631 V635 I640 I647V588-L628 HydrophobicContact CG1-CD1 4.28Å; F590-L628 HydrophobicContact CB-CD1 3.97Å; F590-L628 HydrophobicContact CD1-CD1 4.39Å; F590-L628 HydrophobicContact CD2-CD1 4.42Å; F590-L628 HydrophobicContact CD2-CD2 3.72Å; F590-L628 HydrophobicContact CE2-CD2 3.95Å; F590-L628 HydrophobicContact CG-CD1 3.99Å; F590-L628 HydrophobicContact CG-CD2 4.12Å; L599-L628 HydrophobicContact CD1-CD1 3.5Å; T624-L628 HydrophobicContact CG2-CD1 4.09Å; T624-L628 HydrophobicContact CG2-CG 4.37Å; T624-L628 WeakPolarHBondContact O-CB 3.35Å; T624-L628 VanDerWaalsContact O-CG 3.31Å; T624-L628 WeakPolarHBondContact O-CG 3.36Å; T624-L628 PolarHBondContact O-N 2.9Å; I625-L628 PolarHBondContact O-N 2.94Å; I626-L628 VanDerWaalsContact C-N 3.32Å; I626-L628 PolarHBondContact O-N 3.19Å; L628-F630 VanDerWaalsContact C-N 3.3Å; L628-F630 PolarHBondContact O-N 2.92Å; L628-R631 VanDerWaalsContact O-CA 3.31Å; L628-R631 WeakPolarHBondContact O-CA 3.38Å; L628-R631 PolarHBondContact O-N 3.27Å; L628-V635 HydrophobicContact CD1-CG1 4.43Å; L628-V635 HydrophobicContact CD2-CG1 4.03Å; L628-I640 HydrophobicContact CB-CD1 3.78Å; L628-I647 WeakPolarHBondContact O-CD1 3.21Å
629L94.5Very high91Very high1 Ų129.3 Ų29.31%0.00518%0.181CC..Hα-helixtrans-63.5-36.5176.8-174.655.3000112.1V583 F585 I625 I626 R631 I640 I642 L742 V772V583-L629 HydrophobicContact CG1-CD1 3.57Å; V583-L629 HydrophobicContact CG1-CD2 4.17Å; F585-L629 HydrophobicContact CE2-CD1 4.33Å; F585-L629 HydrophobicContact CZ-CB 4.21Å; I625-L629 WeakPolarHBondContact O-CB 3.31Å; I625-L629 PolarHBondContact O-N 2.88Å; I626-L629 PolarHBondContact O-N 2.74Å; L629-R631 PolarHBondContact O-N 3.32Å; L629-I640 HydrophobicContact CD1-CG2 4.09Å; L629-I642 HydrophobicContact CD1-CD1 4.26Å; L629-L742 HydrophobicContact CB-CD1 4.46Å; L629-L742 HydrophobicContact CD2-CD1 4.18Å; L629-L742 HydrophobicContact CD2-CD2 3.53Å; L629-L742 HydrophobicContact CG-CD1 4.36Å; L629-L742 HydrophobicContact CG-CD2 4.49Å; L629-V772 HydrophobicContact CD2-CG2 4.43Å
630F93.6Very high91.7Very high28 Ų2825.9 Ų25.912%0.12315%0.145CC..THydrogen-bonded Turntrans-77.4-0.4172.1-156.4-104.1000113.7I626 L628 F632 R656 I659 V661I626-F630 PolarHBondContact O-N 3Å; L628-F630 VanDerWaalsContact C-N 3.3Å; L628-F630 PolarHBondContact O-N 2.92Å; F630-F632 VanDerWaalsContact C-N 3.33Å; F630-F632 HydrophobicContact CB-CD2 4.3Å; F630-F632 HydrophobicContact CB-CE2 4.4Å; F630-F632 HydrophobicContact CD1-CD1 4.17Å; F630-F632 AromaticContact CD1-CD2 3.92Å; F630-F632 HydrophobicContact CD1-CD2 3.92Å; F630-F632 AromaticContact CD1-CE1 3.73Å; F630-F632 HydrophobicContact CD1-CE1 3.73Å; F630-F632 AromaticContact CD1-CE2 3.45Å; F630-F632 HydrophobicContact CD1-CE2 3.45Å; F630-F632 VanDerWaalsContact CD1-CE2 3.45Å; F630-F632 HydrophobicContact CD1-CG 4.26Å; F630-F632 AromaticContact CD1-CZ 3.35Å; F630-F632 HydrophobicContact CD1-CZ 3.35Å; F630-F632 AromaticContact CE1-CE1 3.9Å; F630-F632 HydrophobicContact CE1-CE1 3.9Å; F630-F632 HydrophobicContact CE1-CE2 4.08Å; F630-F632 AromaticContact CE1-CZ 3.54Å; F630-F632 HydrophobicContact CE1-CZ 3.54Å; F630-F632 HydrophobicContact CG-CE2 4.24Å; F630-F632 HydrophobicContact CG-CZ 4.49Å; F630-F632 PolarHBondContact O-N 3.41Å; F630-R656 HydrophobicContact CD1-CG 4.08Å; F630-R656 HydrophobicContact CD2-CG 4.28Å; F630-R656 HydrophobicContact CE1-CB 4.34Å; F630-R656 VanDerWaalsContact CE1-CD 3.45Å; F630-R656 HydrophobicContact CE1-CG 3.69Å; F630-R656 HydrophobicContact CE2-CB 4.01Å; F630-R656 HydrophobicContact CE2-CG 3.9Å; F630-R656 HydrophobicContact CG-CG 4.37Å; F630-R656 HydrophobicContact CZ-CB 3.77Å; F630-R656 HydrophobicContact CZ-CG 3.6Å; F630-R656 PolarHBondContact O-NE 3.14Å; F630-R656 VanDerWaalsContact O-NE 3.16Å; F630-I659 HydrophobicContact CD2-CB 4.04Å; F630-I659 HydrophobicContact CD2-CD1 4.39Å; F630-I659 HydrophobicContact CD2-CG2 3.74Å; F630-I659 HydrophobicContact CE2-CB 4.09Å; F630-I659 HydrophobicContact CE2-CG2 4.1Å; F630-V661 HydrophobicContact CD2-CG2 3.79Å; F630-V661 HydrophobicContact CE2-CG2 3.9Å; F630-V661 HydrophobicContact CG-CG2 4.49Å
631R93.3Very high92.2Very high4 Ų429.6 Ų29.62%0.01516%0.159CC..THydrogen-bonded Turntrans50.648.5-176.8-162.7179165.8-158.7-9.8112.4V567 K568 D569 R627 L628 L629 N634 I647 S648 L650 L655 R656V567-R631 HydrophobicContact CG1-CG 4.09Å; K568-R631 PolarHBondContact O-NH2 2.99Å; D569-R631 IonicContact OD1-NH1 3.26Å; D569-R631 IonicContact OD1-NH2 3.83Å; R627-R631 PolarHBondContact O-N 3.46Å; L628-R631 VanDerWaalsContact O-CA 3.31Å; L628-R631 WeakPolarHBondContact O-CA 3.38Å; L628-R631 PolarHBondContact O-N 3.27Å; L629-R631 PolarHBondContact O-N 3.32Å; R631-N634 PolarHBondContact NE-OD1 2.68Å; R631-I647 HydrophobicContact CB-CD1 4.44Å; R631-I647 WeakPolarHBondContact CD-O 3.43Å; R631-I647 PolarHBondContact NH1-O 2.95Å; R631-S648 VanDerWaalsContact CZ-O 3.24Å; R631-S648 PolarHBondContact NH1-O 3.3Å; R631-S648 PolarHBondContact NH2-O 3.43Å; R631-L650 PolarHBondContact NH1-O 2.82Å; R631-L655 HydrophobicContact CB-CD2 3.77Å; R631-R656 PolarHBondContact O-NH2 3.11Å
632F91.4Very high92.7Very high68 Ų6829.3 Ų29.330%0.29816%0.156SC..SBendtrans-75.5-20.8163.4-76.6-47.9000112.2L351 R627 F630L351-F632 HydrophobicContact CB-CB 4.36Å; L351-F632 HydrophobicContact CB-CD1 4.4Å; L351-F632 HydrophobicContact CB-CG 4.43Å; L351-F632 HydrophobicContact CD2-CB 4.29Å; L351-F632 HydrophobicContact CD2-CD2 3.99Å; L351-F632 HydrophobicContact CD2-CE2 4.43Å; L351-F632 HydrophobicContact CD2-CG 4.08Å; R627-F632 HydrophobicContact CB-CB 4.47Å; R627-F632 HydrophobicContact CB-CD2 4.35Å; R627-F632 HydrophobicContact CG-CD2 4.28Å; R627-F632 PolarHBondContact O-N 3.31Å; F630-F632 VanDerWaalsContact C-N 3.33Å; F630-F632 HydrophobicContact CB-CD2 4.3Å; F630-F632 HydrophobicContact CB-CE2 4.4Å; F630-F632 HydrophobicContact CD1-CD1 4.17Å; F630-F632 AromaticContact CD1-CD2 3.92Å; F630-F632 HydrophobicContact CD1-CD2 3.92Å; F630-F632 AromaticContact CD1-CE1 3.73Å; F630-F632 HydrophobicContact CD1-CE1 3.73Å; F630-F632 AromaticContact CD1-CE2 3.45Å; F630-F632 HydrophobicContact CD1-CE2 3.45Å; F630-F632 VanDerWaalsContact CD1-CE2 3.45Å; F630-F632 HydrophobicContact CD1-CG 4.26Å; F630-F632 AromaticContact CD1-CZ 3.35Å; F630-F632 HydrophobicContact CD1-CZ 3.35Å; F630-F632 AromaticContact CE1-CE1 3.9Å; F630-F632 HydrophobicContact CE1-CE1 3.9Å; F630-F632 HydrophobicContact CE1-CE2 4.08Å; F630-F632 AromaticContact CE1-CZ 3.54Å; F630-F632 HydrophobicContact CE1-CZ 3.54Å; F630-F632 HydrophobicContact CG-CE2 4.24Å; F630-F632 HydrophobicContact CG-CZ 4.49Å; F630-F632 PolarHBondContact O-N 3.41Å
633Y91.5Very high92.8Very high5 Ų530.2 Ų30.22%0.0216%0.161CC..SBendtrans-136.8152.8176-59.4-91000109.1L351 R352 F590 Y592 R627L351-Y633 HydrophobicContact CD2-CE2 4.27Å; R352-Y633 HydrophobicContact CB-CE1 3.9Å; R352-Y633 PolarHBondContact N-OH 3.29Å; F590-Y633 HydrophobicContact CE2-CD1 4.22Å; F590-Y633 HydrophobicContact CE2-CG 4.03Å; F590-Y633 AromaticContact CZ-CD1 3.78Å; F590-Y633 HydrophobicContact CZ-CD1 3.78Å; F590-Y633 HydrophobicContact CZ-CD2 4.3Å; F590-Y633 HydrophobicContact CZ-CE1 4.45Å; F590-Y633 AromaticContact CZ-CG 3.68Å; F590-Y633 HydrophobicContact CZ-CG 3.68Å; Y592-Y633 AromaticContact CD1-CE1 3.88Å; Y592-Y633 HydrophobicContact CD1-CE1 3.88Å; Y592-Y633 AromaticContact CD1-CZ 3.91Å; Y592-Y633 HydrophobicContact CE1-CD2 4.31Å; Y592-Y633 AromaticContact CE1-CE1 3.95Å; Y592-Y633 HydrophobicContact CE1-CE1 3.95Å; Y592-Y633 AromaticContact CE1-CE2 3.75Å; Y592-Y633 HydrophobicContact CE1-CE2 3.75Å; Y592-Y633 AromaticContact CE1-CZ 3.55Å; R627-Y633 HydrophobicContact CB-CD2 4.15Å; R627-Y633 HydrophobicContact CB-CE2 4.29Å
634N90.1Very high93Very high60 Ų6031.2 Ų31.232%0.32118%0.176SC..  trans-87.7149.1166.9-70.2-32.4000109.9R631R631-N634 PolarHBondContact NE-OD1 2.68Å
635V92Very high93.1Very high40 Ų4033 Ų3324%0.24218%0.184CC..  trans-72.8149.7172.8-64.40000110.4V588 L628 I640V588-V635 HydrophobicContact CG1-CB 4.32Å; V588-V635 HydrophobicContact CG1-CG1 3.61Å; L628-V635 HydrophobicContact CD1-CG1 4.43Å; L628-V635 HydrophobicContact CD2-CG1 4.03Å; V635-I640 HydrophobicContact CG1-CD1 3.72Å; V635-I640 HydrophobicContact CG1-CG1 4.16Å
636Q89.3Confident93.1Very high106 Ų10634.6 Ų34.650%0.49519%0.193SC..SBendtrans-92.9-27.1177.9-70.8170.4-23.900112.2Y589 S591Y589-Q636 PolarHBondContact O-N 3.13Å; S591-Q636 PolarHBondContact O-NE2 2.92Å; S591-Q636 PolarHBondContact OG-NE2 3.48Å; S591-Q636 PolarHBondContact OG-OE1 3.26Å
637G89.3Confident93.2Very high21 Ų2134.6 Ų34.622%0.21619%0.193CC..EExtended strand (participates in β ladder)trans-149.6158.1173.200000110.2V588 Y589V588-G637 WeakPolarHBondContact CA-O 3.32Å; Y589-G637 PolarHBondContact N-O 3.17Å; Y589-G637 PolarHBondContact O-N 3.31Å
638G93.1Very high93.1Very high44 Ų4432.5 Ų32.545%0.45419%0.19SC..EExtended strand (participates in β ladder)trans74.3-165.1-171.900000113.2D586 S587D586-G638 CarbonylContact O-C 3.59Å; D586-G638 WeakPolarHBondContact O-CA 3.32Å; S587-G638 WeakPolarHBondContact O-CA 3.39Å; S587-G638 PolarHBondContact O-N 3.47Å
639C94.9Very high93Very high15 Ų1538 Ų3810%0.10121%0.214CC..EExtended strand (participates in β ladder)trans-151159.3174.465.90000112.2D586 V588 R641D586-C639 PolarHBondContact N-O 3.49Å; D586-C639 PolarHBondContact O-N 3.02Å; V588-C639 WeakPolarHBondContact CG2-O 3.22Å; C639-R641 PolarHBondContact SG-NH2 3.21Å
640I96.4Very high92.9Very high2 Ų238.5 Ų38.51%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-117.7125.9174.2-59167.4000107.3E584 F585 V588 L628 L629 V635 I647E584-I640 CarbonylContact O-C 3.57Å; E584-I640 VanDerWaalsContact O-CA 3.3Å; E584-I640 WeakPolarHBondContact O-CA 3.36Å; F585-I640 HydrophobicContact CD1-CD1 4.04Å; F585-I640 HydrophobicContact CD1-CG1 3.83Å; F585-I640 HydrophobicContact CD2-CG2 4.27Å; F585-I640 HydrophobicContact CE1-CD1 3.42Å; F585-I640 VanDerWaalsContact CE1-CD1 3.42Å; F585-I640 HydrophobicContact CE1-CG1 3.72Å; F585-I640 HydrophobicContact CE2-CG2 3.95Å; F585-I640 HydrophobicContact CG-CG1 4.26Å; F585-I640 HydrophobicContact CZ-CD1 3.75Å; F585-I640 HydrophobicContact CZ-CG1 4.08Å; F585-I640 HydrophobicContact CZ-CG2 4.09Å; V588-I640 HydrophobicContact CG2-CG1 3.84Å; L628-I640 HydrophobicContact CB-CD1 3.78Å; L629-I640 HydrophobicContact CD1-CG2 4.09Å; V635-I640 HydrophobicContact CG1-CD1 3.72Å; V635-I640 HydrophobicContact CG1-CG1 4.16Å; I640-I647 HydrophobicContact CB-CD1 3.7Å; I640-I647 HydrophobicContact CB-CG1 3.98Å; I640-I647 HydrophobicContact CD1-CD1 4.12Å; I640-I647 HydrophobicContact CG2-CD1 3.74Å; I640-I647 HydrophobicContact CG2-CG1 4.29Å; I640-I647 HydrophobicContact CG2-CG2 4.45Å; I640-I647 PolarHBondContact O-N 3.47Å
641R96.1Very high92.9Very high81 Ų8141.6 Ų41.631%0.30623%0.23SC..EExtended strand (participates in β ladder)trans-118.8143-178.3-55.3-179.1-174.8116.33.8111.2E584 D586 C639 Q645E584-R641 HydrophobicContact CB-CB 4.28Å; E584-R641 PolarHBondContact N-O 3.12Å; E584-R641 PolarHBondContact O-N 2.85Å; D586-R641 IonicContact OD2-CZ 2.69Å; D586-R641 IonicContact OD2-NH1 2.65Å; D586-R641 PolarHBondContact OD2-NH1 2.91Å; D586-R641 IonicContact OD2-NH2 2.92Å; D586-R641 PolarHBondContact OD2-NH2 3.06Å; C639-R641 PolarHBondContact SG-NH2 3.21Å; R641-Q645 CarbonylContact C-O 3.52Å; R641-Q645 WeakPolarHBondContact CA-O 3.39Å
642I95.9Very high92.8Very high0 Ų042.9 Ų42.90%024%0.237CC..EExtended strand (participates in β ladder)trans-119.5121.3167.8-59.5178.9000107.8L576 R582 V583 L629 G644 Q645 I647 L655 I740L576-I642 HydrophobicContact CD1-CB 4.2Å; L576-I642 HydrophobicContact CD1-CG2 4.21Å; L576-I642 HydrophobicContact CD2-CG2 4.34Å; R582-I642 CarbonylContact O-C 3.6Å; R582-I642 VanDerWaalsContact O-CA 3.31Å; R582-I642 WeakPolarHBondContact O-CA 3.49Å; V583-I642 HydrophobicContact CG2-CG1 4.41Å; L629-I642 HydrophobicContact CD1-CD1 4.26Å; I642-G644 PolarHBondContact O-N 2.93Å; I642-Q645 PolarHBondContact N-O 2.79Å; I642-Q645 WeakPolarHBondContact O-CB 3.27Å; I642-Q645 PolarHBondContact O-N 3.39Å; I642-I647 HydrophobicContact CB-CG2 4.48Å; I642-I647 HydrophobicContact CD1-CG2 3.81Å; I642-I647 HydrophobicContact CG1-CG2 3.74Å; I642-L655 HydrophobicContact CD1-CD1 3.51Å; I642-I740 HydrophobicContact CD1-CD1 4Å; I642-I740 HydrophobicContact CG2-CD1 4.06Å
643D93.6Very high92.9Very high29 Ų2950.5 Ų50.516%0.15526%0.263CS..THydrogen-bonded Turntrans50.138-173.7-67.5-29.6000112.9K579 L580 G581 R582 Q645K579-D643 PolarHBondContact N-OD2 2.82Å; L580-D643 PolarHBondContact N-OD2 3.33Å; G581-D643 VanDerWaalsContact N-CG 3.35Å; G581-D643 PolarHBondContact N-OD1 3.3Å; G581-D643 PolarHBondContact N-OD2 2.89Å; R582-D643 PolarHBondContact N-OD1 3.05Å; R582-D643 PolarHBondContact O-N 3.44Å; D643-Q645 VanDerWaalsContact C-N 3.28Å; D643-Q645 PolarHBondContact O-N 3.23Å
644G92.6Very high93Very high51 Ų5151 Ų5153%0.52627%0.268SS..THydrogen-bonded Turntrans79.6-3.3-17800000115.4I642I642-G644 PolarHBondContact O-N 2.93Å
645Q94.2Very high93.2Very high45 Ų4548.1 Ų48.121%0.2125%0.252CS..EExtended strand (participates in β ladder)trans-93.3125.7177.3-66.816287.100110.9L576 Q577 R641 I642 D643 I647 L650L576-Q645 HydrophobicContact CD1-CB 4.5Å; Q577-Q645 VanDerWaalsContact N-OE1 3.17Å; Q577-Q645 PolarHBondContact O-NE2 3.23Å; R641-Q645 CarbonylContact C-O 3.52Å; R641-Q645 WeakPolarHBondContact CA-O 3.39Å; I642-Q645 PolarHBondContact N-O 2.79Å; I642-Q645 WeakPolarHBondContact O-CB 3.27Å; I642-Q645 PolarHBondContact O-N 3.39Å; D643-Q645 VanDerWaalsContact C-N 3.28Å; D643-Q645 PolarHBondContact O-N 3.23Å; Q645-I647 PolarHBondContact O-N 3.12Å; Q645-L650 HydrophobicContact CB-CD1 4.22Å
646D94.2Very high93.3Very high36 Ų3649.2 Ų49.219%0.19325%0.252CS..EExtended strand (participates in β ladder)trans-66.3122.2175.6-176.7-15.5000111.2S648 K649D646-S648 PolarHBondContact O-N 3.47Å; D646-S648 WeakPolarHBondContact OD1-CB 3.42Å; D646-S648 PolarHBondContact OD1-N 3.41Å; D646-S648 PolarHBondContact OD1-OG 3.15Å; D646-S648 PolarHBondContact OD2-OG 3.21Å; D646-S648 VanDerWaalsContact OD2-OG 3.11Å; D646-K649 HydrophobicContact CB-CD 4.41Å; D646-K649 HydrophobicContact CB-CG 4.45Å; D646-K649 PolarHBondContact O-N 2.87Å
647I94.2Very high93.5Very high9 Ų946.9 Ų46.95%0.04625%0.25CS..G310 helixtrans-64.8-22.2-17667.2172.6000113.4L628 R631 I640 I642 Q645 K649 L650 L655L628-I647 WeakPolarHBondContact O-CD1 3.21Å; R631-I647 HydrophobicContact CB-CD1 4.44Å; R631-I647 WeakPolarHBondContact CD-O 3.43Å; R631-I647 PolarHBondContact NH1-O 2.95Å; I640-I647 HydrophobicContact CB-CD1 3.7Å; I640-I647 HydrophobicContact CB-CG1 3.98Å; I640-I647 HydrophobicContact CD1-CD1 4.12Å; I640-I647 HydrophobicContact CG2-CD1 3.74Å; I640-I647 HydrophobicContact CG2-CG1 4.29Å; I640-I647 HydrophobicContact CG2-CG2 4.45Å; I640-I647 PolarHBondContact O-N 3.47Å; I642-I647 HydrophobicContact CB-CG2 4.48Å; I642-I647 HydrophobicContact CD1-CG2 3.81Å; I642-I647 HydrophobicContact CG1-CG2 3.74Å; Q645-I647 PolarHBondContact O-N 3.12Å; I647-K649 VanDerWaalsContact C-N 3.27Å; I647-K649 PolarHBondContact O-N 3.45Å; I647-L650 PolarHBondContact O-N 3.38Å; I647-L655 HydrophobicContact CB-CD1 4.49Å; I647-L655 HydrophobicContact CB-CD2 4.01Å; I647-L655 HydrophobicContact CG2-CD1 4.04Å; I647-L655 HydrophobicContact CG2-CD2 4.4Å
648S91.2Very high93.7Very high37 Ų3747.6 Ų47.626%0.25925%0.248SC..G310 helixtrans-68.7-26.5178.766.20000112.7R631 D646R631-S648 VanDerWaalsContact CZ-O 3.24Å; R631-S648 PolarHBondContact NH1-O 3.3Å; R631-S648 PolarHBondContact NH2-O 3.43Å; D646-S648 PolarHBondContact O-N 3.47Å; D646-S648 WeakPolarHBondContact OD1-CB 3.42Å; D646-S648 PolarHBondContact OD1-N 3.41Å; D646-S648 PolarHBondContact OD1-OG 3.15Å; D646-S648 PolarHBondContact OD2-OG 3.21Å; D646-S648 VanDerWaalsContact OD2-OG 3.11Å
649K91.3Very high93.8Very high117 Ų11745.5 Ų45.551%0.50923%0.226SC..G310 helixtrans-94.3-0.3-177.4-58.5-177.5-176.5178.40113.9A573 D646 I647A573-K649 WeakPolarHBondContact CA-O 3.26Å; A573-K649 WeakPolarHBondContact CB-O 3.39Å; D646-K649 HydrophobicContact CB-CD 4.41Å; D646-K649 HydrophobicContact CB-CG 4.45Å; D646-K649 PolarHBondContact O-N 2.87Å; I647-K649 VanDerWaalsContact C-N 3.27Å; I647-K649 PolarHBondContact O-N 3.45Å
650L92.6Very high93.7Very high10 Ų1044.8 Ų44.85%0.05222%0.222CC..BIsolated β-bridgetrans-98.7161.9-177.5-61.1176.6000111.6G574 L576 R631 Q645 I647G574-L650 CarbonylContact O-C 3.59Å; G574-L650 WeakPolarHBondContact O-CA 3.45Å; L576-L650 HydrophobicContact CB-CD1 3.99Å; L576-L650 HydrophobicContact CD1-CD1 3.45Å; L576-L650 VanDerWaalsContact CD1-CD1 3.45Å; L576-L650 HydrophobicContact CG-CD1 4.27Å; R631-L650 PolarHBondContact NH1-O 2.82Å; Q645-L650 HydrophobicContact CB-CD1 4.22Å; I647-L650 PolarHBondContact O-N 3.38Å
651K93.4Very high93.6Very high93 Ų9346.9 Ų46.940%0.40424%0.235SC..  trans-71.3127.1170.1-76.8173.9172.8165.30110.9D569 A573 G574 N575 R653 S654 L655D569-K651 WeakPolarHBondContact OD2-CA 3.29Å; A573-K651 HydrophobicContact CB-CG 3.88Å; A573-K651 WeakPolarHBondContact O-CE 3.2Å; A573-K651 WeakPolarHBondContact O-CG 3.45Å; G574-K651 PolarHBondContact O-N 3.36Å; N575-K651 WeakPolarHBondContact OD1-CD 3.47Å; K651-R653 VanDerWaalsContact C-N 3.29Å; K651-R653 PolarHBondContact O-N 3.16Å; K651-S654 WeakPolarHBondContact O-CB 3.36Å; K651-S654 PolarHBondContact O-N 2.88Å; K651-L655 PolarHBondContact O-N 2.99Å
652Q92.6Very high93.3Very high32 Ų3243.1 Ų43.115%0.1522%0.221CC..Hα-helixtrans-55.2-43-179.9-83.3169.775.800112.8V567 D569 S654 L655 R656V567-Q652 PolarHBondContact O-NE2 2.94Å; D569-Q652 WeakPolarHBondContact OD1-CG 3.43Å; D569-Q652 PolarHBondContact OD1-N 3.38Å; D569-Q652 PolarHBondContact OD1-NE2 3.4Å; D569-Q652 PolarHBondContact OD2-N 3.5Å; Q652-S654 VanDerWaalsContact C-N 3.31Å; Q652-S654 PolarHBondContact O-N 2.91Å; Q652-L655 PolarHBondContact O-N 2.95Å; Q652-R656 WeakPolarHBondContact O-CB 3.29Å; Q652-R656 WeakPolarHBondContact O-CG 3.48Å; Q652-R656 PolarHBondContact O-N 3.4Å
653R92.3Very high93Very high227 Ų22745.5 Ų45.586%0.85724%0.236SC*.Hα-helixtrans-59.7-41.8178.4-176.4178.7176.9-177.5-0.5111.9K651 A657K651-R653 VanDerWaalsContact C-N 3.29Å; K651-R653 PolarHBondContact O-N 3.16Å; R653-A657 WeakPolarHBondContact O-CB 3.3Å; R653-A657 PolarHBondContact O-N 3.02Å
654S94.2Very high92.5Very high16 Ų1647.5 Ų47.511%0.11224%0.244CC..Hα-helixtrans-69-43.6179.2-175.30000111.3N575 L576 K651 Q652 A657 H658N575-S654 WeakPolarHBondContact CB-OG 3.25Å; L576-S654 PolarHBondContact N-OG 3.38Å; K651-S654 WeakPolarHBondContact O-CB 3.36Å; K651-S654 PolarHBondContact O-N 2.88Å; Q652-S654 VanDerWaalsContact C-N 3.31Å; Q652-S654 PolarHBondContact O-N 2.91Å; S654-A657 PolarHBondContact O-N 3.45Å; S654-H658 PolarHBondContact O-ND1 3.11Å
655L94.3Very high92Very high0 Ų051.1 Ų51.10%025%0.252CS..Hα-helixtrans-60-54.1177.5175.465.4000111.2L576 R631 I642 I647 K651 Q652 A657 H658 I659L576-L655 HydrophobicContact CD2-CD1 4.22Å; R631-L655 HydrophobicContact CB-CD2 3.77Å; I642-L655 HydrophobicContact CD1-CD1 3.51Å; I647-L655 HydrophobicContact CB-CD1 4.49Å; I647-L655 HydrophobicContact CB-CD2 4.01Å; I647-L655 HydrophobicContact CG2-CD1 4.04Å; I647-L655 HydrophobicContact CG2-CD2 4.4Å; K651-L655 PolarHBondContact O-N 2.99Å; Q652-L655 PolarHBondContact O-N 2.95Å; L655-A657 PolarHBondContact O-N 3.33Å; L655-H658 PolarHBondContact O-N 3.05Å; L655-H658 VanDerWaalsContact O-N 3.11Å; L655-I659 HydrophobicContact CD1-CD1 3.94Å; L655-I659 HydrophobicContact CG-CD1 4.07Å
656R94.7Very high91.5Very high63 Ų6349.8 Ų49.824%0.23825%0.247CC..Hα-helixtrans-68.7-18.3-176.2-66.4176.5-178.2153.29.7113.6F630 R631 Q652 H658 K736F630-R656 HydrophobicContact CD1-CG 4.08Å; F630-R656 HydrophobicContact CD2-CG 4.28Å; F630-R656 HydrophobicContact CE1-CB 4.34Å; F630-R656 VanDerWaalsContact CE1-CD 3.45Å; F630-R656 HydrophobicContact CE1-CG 3.69Å; F630-R656 HydrophobicContact CE2-CB 4.01Å; F630-R656 HydrophobicContact CE2-CG 3.9Å; F630-R656 HydrophobicContact CG-CG 4.37Å; F630-R656 HydrophobicContact CZ-CB 3.77Å; F630-R656 HydrophobicContact CZ-CG 3.6Å; F630-R656 PolarHBondContact O-NE 3.14Å; F630-R656 VanDerWaalsContact O-NE 3.16Å; R631-R656 PolarHBondContact O-NH2 3.11Å; Q652-R656 WeakPolarHBondContact O-CB 3.29Å; Q652-R656 WeakPolarHBondContact O-CG 3.48Å; Q652-R656 PolarHBondContact O-N 3.4Å; R656-H658 VanDerWaalsContact C-N 3.3Å; R656-K736 PolarHBondContact O-NZ 3.47Å
657A92.6Very high91.2Very high56 Ų5653.1 Ų53.146%0.46327%0.268SS..Hα-helixtrans-66.4-32.8172.500000112.2R653 S654 L655R653-A657 WeakPolarHBondContact O-CB 3.3Å; R653-A657 PolarHBondContact O-N 3.02Å; S654-A657 PolarHBondContact O-N 3.45Å; L655-A657 PolarHBondContact O-N 3.33Å
658H93.7Very high91Very high36 Ų3653.4 Ų53.417%0.16727%0.27CS..SBendtrans-87.1-8.9-177.7-65.373.9000113.3L576 F578 S654 L655 R656 Q739 I740L576-H658 HydrophobicContact CD2-CB 4.25Å; F578-H658 AromaticContact CD2-CD2 3.92Å; F578-H658 AromaticContact CG-CD2 3.85Å; S654-H658 PolarHBondContact O-ND1 3.11Å; L655-H658 PolarHBondContact O-N 3.05Å; L655-H658 VanDerWaalsContact O-N 3.11Å; R656-H658 VanDerWaalsContact C-N 3.3Å; H658-Q739 VanDerWaalsContact CB-OE1 3.24Å; H658-Q739 PolarHBondContact CD2-NE2 2.94Å; H658-Q739 PolarHBondContact CD2-OE1 3.1Å; H658-Q739 PolarHBondContact O-N 3.24Å; H658-Q739 VanDerWaalsContact O-N 3.14Å; H658-I740 PolarHBondContact O-N 3.29Å
659I94.9Very high91Very high0 Ų056.4 Ų56.40%028%0.278CS..EExtended strand (participates in β ladder)trans-112.6125.1-175.6-55.3171.2000110.5F630 L655 V661 K736 I740 L742F630-I659 HydrophobicContact CD2-CB 4.04Å; F630-I659 HydrophobicContact CD2-CD1 4.39Å; F630-I659 HydrophobicContact CD2-CG2 3.74Å; F630-I659 HydrophobicContact CE2-CB 4.09Å; F630-I659 HydrophobicContact CE2-CG2 4.1Å; L655-I659 HydrophobicContact CD1-CD1 3.94Å; L655-I659 HydrophobicContact CG-CD1 4.07Å; I659-V661 HydrophobicContact CG2-CG2 4.3Å; I659-K736 WeakPolarHBondContact O-CE 3.33Å; I659-K736 PolarHBondContact O-NZ 3.14Å; I659-I740 CarbonylContact C-O 3.55Å; I659-I740 WeakPolarHBondContact CA-O 3.22Å; I659-I740 HydrophobicContact CG1-CB 4.25Å; I659-I740 HydrophobicContact CG1-CD1 4.44Å; I659-L742 HydrophobicContact CG2-CD1 3.61Å; I659-L742 HydrophobicContact CG2-CG 3.75Å
660G93.9Very high91.1Very high0 Ų055 Ų550%028%0.277CS..EExtended strand (participates in β ladder)trans-101.1146.3167.400000111.5I740 L742G660-I740 PolarHBondContact N-O 3.49Å; G660-L742 PolarHBondContact O-N 3.49Å
661V92.6Very high91.1Very high47 Ų4757.7 Ų57.729%0.28529%0.291SS..EExtended strand (participates in β ladder)trans-130.9126.4178.3-173.50000108.5F630 I659 P663 L742F630-V661 HydrophobicContact CD2-CG2 3.79Å; F630-V661 HydrophobicContact CE2-CG2 3.9Å; F630-V661 HydrophobicContact CG-CG2 4.49Å; I659-V661 HydrophobicContact CG2-CG2 4.3Å; V661-P663 WeakPolarHBondContact O-CD 3.27Å; V661-L742 CarbonylContact C-O 3.58Å; V661-L742 WeakPolarHBondContact CA-O 3.38Å; V661-L742 HydrophobicContact CG1-CB 4.46Å; V661-L742 HydrophobicContact CG2-CB 4.2Å; V661-L742 HydrophobicContact CG2-CD1 4.13Å; V661-L742 HydrophobicContact CG2-CG 4.43Å
662V91.5Very high91.1Very high2 Ų254 Ų541%0.01228%0.276CS..EExtended strand (participates in β ladder)trans-100.7103.3164.8-176.70000106.6A729 I730 T733 L742 L743 D744 A746 L762V662-A729 HydrophobicContact CG1-CB 4.37Å; V662-I730 HydrophobicContact CG1-CG1 4.27Å; V662-I730 HydrophobicContact CG2-CG1 4.49Å; V662-T733 HydrophobicContact CG2-CG2 4.24Å; V662-T733 WeakPolarHBondContact CG2-OG1 3.25Å; V662-L742 PolarHBondContact N-O 3.37Å; V662-L743 HydrophobicContact CB-CD2 3.72Å; V662-L743 HydrophobicContact CG2-CD2 3.61Å; V662-D744 PolarHBondContact O-N 2.99Å; V662-A746 HydrophobicContact CG1-CB 3.91Å; V662-L762 HydrophobicContact CG2-CD2 4.36Å
663P88.5Confident91.2Very high49 Ų4952.5 Ų52.532%0.31827%0.269SS..  trans-74.6161.7-177.332.5-35.5000111.5V661 D744V661-P663 WeakPolarHBondContact O-CD 3.27Å; P663-D744 CarbonylContact C-O 3.54Å
664Q84Confident91.4Very high71 Ų7143.8 Ų43.833%0.33224%0.236SC..SBendtrans-59.9-57.9172.5177.4170.515.900110.9D744 E745Q664-D744 WeakPolarHBondContact CA-O 3.17Å; Q664-D744 WeakPolarHBondContact CB-O 3.29Å; Q664-D744 PolarHBondContact N-O 3.1Å; Q664-E745 HydrophobicContact CB-CB 4.27Å; Q664-E745 HydrophobicContact CG-CB 4.14Å; Q664-E745 PolarHBondContact NE2-OE2 3.46Å
665D81Confident91.5Very high127 Ų12745.7 Ų45.768%0.67925%0.245SC*.SBendtrans-98107.6178.3-66.9-34000110.1V667D665-V667 PolarHBondContact O-N 3.19Å
666T85.1Confident91.6Very high18 Ų1845.8 Ų45.811%0.1125%0.246CC..  trans-83.7116.7174.7-58.30000110.6L668 K725 A729T666-L668 HydrophobicContact CG2-CD2 4.36Å; T666-K725 HydrophobicContact CG2-CB 4.46Å; T666-K725 WeakPolarHBondContact CG2-O 3.44Å; T666-A729 HydrophobicContact CG2-CB 3.71Å; T666-A729 VanDerWaalsContact OG1-CB 3.29Å; T666-A729 WeakPolarHBondContact OG1-CB 2.97Å
667V86.7Confident91.6Very high106 Ų10642.8 Ų42.864%0.64223%0.234SC*.  trans-93.4138.1170.5-172.10000109.7D665 R732D665-V667 PolarHBondContact O-N 3.19Å; V667-R732 PolarHBondContact O-NH1 3.45Å
668L90.3Very high91.8Very high14 Ų1442 Ų427%0.07322%0.219CC..  trans-104.8139.7172.8-59.2178.2000108.9T666 N676 V713 L720 K725 V728T666-L668 HydrophobicContact CG2-CD2 4.36Å; L668-N676 WeakPolarHBondContact CA-OD1 3.49Å; L668-V713 HydrophobicContact CB-CG2 4.43Å; L668-V713 HydrophobicContact CD1-CB 4.03Å; L668-V713 HydrophobicContact CD1-CG2 4.03Å; L668-L720 HydrophobicContact CD1-CB 4.41Å; L668-L720 HydrophobicContact CD1-CD1 3.76Å; L668-L720 HydrophobicContact CD1-CG 4.24Å; L668-K725 HydrophobicContact CD1-CG 4.02Å; L668-K725 HydrophobicContact CG-CG 4.41Å; L668-V728 HydrophobicContact CD2-CB 4.21Å; L668-V728 HydrophobicContact CD2-CG1 3.77Å
669F92.1Very high91.9Very high101 Ų10146.9 Ų46.944%0.44324%0.237SC..  trans-72149.6168.9-64.1-77000108.9D671 N676 Y679F669-D671 HydrophobicContact CB-CB 4.47Å; F669-D671 PolarHBondContact O-N 2.87Å; F669-N676 PolarHBondContact N-OD1 3.03Å; F669-N676 PolarHBondContact O-ND2 3.04Å; F669-N676 VanDerWaalsContact O-ND2 3.08Å; F669-Y679 HydrophobicContact CD2-CD2 4.18Å; F669-Y679 HydrophobicContact CD2-CE2 4.35Å; F669-Y679 HydrophobicContact CD2-CG 4.42Å; F669-Y679 AromaticContact CE2-CD1 3.91Å; F669-Y679 HydrophobicContact CE2-CD1 3.91Å; F669-Y679 AromaticContact CE2-CD2 3.68Å; F669-Y679 HydrophobicContact CE2-CD2 3.68Å; F669-Y679 AromaticContact CE2-CE1 3.78Å; F669-Y679 HydrophobicContact CE2-CE1 3.78Å; F669-Y679 AromaticContact CE2-CE2 3.54Å; F669-Y679 HydrophobicContact CE2-CE2 3.54Å; F669-Y679 AromaticContact CE2-CG 3.87Å; F669-Y679 HydrophobicContact CE2-CG 3.87Å; F669-Y679 AromaticContact CE2-CZ 3.58Å; F669-Y679 HydrophobicContact CZ-CD2 4.38Å; F669-Y679 HydrophobicContact CZ-CE1 4.1Å; F669-Y679 AromaticContact CZ-CE2 3.77Å; F669-Y679 HydrophobicContact CZ-CE2 3.77Å; F669-Y679 AromaticContact CZ-CZ 3.61Å
670N91.4Very high91.7Very high88 Ų8847.8 Ų47.847%0.47125%0.247SC..SBendtrans-69.979.1171-66.8-42.6000109.1V713 G714 E715 R716N670-V713 VanDerWaalsContact CA-O 3.27Å; N670-V713 WeakPolarHBondContact CA-O 3.42Å; N670-G714 WeakPolarHBondContact OD1-CA 3.32Å; N670-E715 PolarHBondContact OD1-N 3.02Å; N670-R716 PolarHBondContact OD1-N 3.36Å
671D93.1Very high91.8Very high66 Ų6652 Ų5235%0.35326%0.263SS..EExtended strand (participates in β ladder)trans-160.9-179.9-173.9-151.5-19.5000109.8F669 N676 V713F669-D671 HydrophobicContact CB-CB 4.47Å; F669-D671 PolarHBondContact O-N 2.87Å; D671-N676 PolarHBondContact O-ND2 3.31Å; D671-V713 PolarHBondContact N-O 3.04Å; D671-V713 VanDerWaalsContact O-CG2 3.31Å; D671-V713 WeakPolarHBondContact O-CG2 3.4Å; D671-V713 PolarHBondContact O-N 3.45Å
672T94.5Very high91.8Very high14 Ų1456.3 Ų56.39%0.08628%0.282CS..EExtended strand (participates in β ladder)trans-63.2155.3176.9710000112.4R674 D675 N676 D710 T711T672-R674 PolarHBondContact O-N 3.44Å; T672-D675 PolarHBondContact O-N 3.41Å; T672-D675 WeakPolarHBondContact OG1-CB 3.21Å; T672-D675 PolarHBondContact OG1-N 3.38Å; T672-D675 PolarHBondContact OG1-OD2 3.26Å; T672-N676 WeakPolarHBondContact O-CB 3.45Å; T672-N676 PolarHBondContact O-N 3.42Å; T672-N676 PolarHBondContact O-ND2 3.22Å; T672-D710 WeakPolarHBondContact CG2-O 3.31Å; T672-T711 WeakPolarHBondContact CA-O 3.07Å
673I95Very high92Very high2 Ų262.3 Ų62.31%0.0132%0.319CS..Hα-helixtrans-59.5-40.6171.4-64.5175000110.2D675 N676 I677 I702 F705 Y709 T711 V713I673-D675 PolarHBondContact O-N 2.85Å; I673-N676 PolarHBondContact O-N 2.98Å; I673-I677 HydrophobicContact CG2-CD1 3.96Å; I673-I677 HydrophobicContact CG2-CG1 4.41Å; I673-I677 WeakPolarHBondContact O-CG1 3.31Å; I673-I677 PolarHBondContact O-N 3.47Å; I673-I702 HydrophobicContact CD1-CG1 4.3Å; I673-I702 HydrophobicContact CG2-CD1 3.67Å; I673-I702 HydrophobicContact CG2-CG1 4.03Å; I673-F705 HydrophobicContact CD1-CD2 3.62Å; I673-F705 HydrophobicContact CD1-CE2 3.57Å; I673-Y709 PolarHBondContact N-O 3.02Å; I673-T711 HydrophobicContact CD1-CG2 4.38Å; I673-T711 PolarHBondContact N-O 3.41Å; I673-V713 HydrophobicContact CD1-CG1 3.86Å; I673-V713 HydrophobicContact CG1-CB 4.34Å; I673-V713 HydrophobicContact CG1-CG1 3.44Å; I673-V713 VanDerWaalsContact CG1-CG1 3.44Å; I673-V713 HydrophobicContact CG1-CG2 3.94Å
674R95.9Very high92.3Very high44 Ų4460.3 Ų60.317%0.16631%0.307CS..Hα-helixtrans-51.7-53.9176-164.8-169.7-60.6-102.2-4.6111.6T672 I677 R678 D686 V689 Y709 D710T672-R674 PolarHBondContact O-N 3.44Å; R674-I677 PolarHBondContact O-N 3.01Å; R674-R678 WeakPolarHBondContact O-CB 3.47Å; R674-R678 PolarHBondContact O-N 2.91Å; R674-D686 IonicContact CZ-OD2 3.26Å; R674-D686 IonicContact NE-OD2 3.59Å; R674-D686 IonicContact NH1-OD2 3.46Å; R674-D686 PolarHBondContact NH1-OD2 2.89Å; R674-V689 HydrophobicContact CG-CG1 4.3Å; R674-Y709 HydrophobicContact CB-CD1 4.43Å; R674-Y709 WeakPolarHBondContact CB-O 3.36Å; R674-Y709 PolarHBondContact N-O 3.1Å; R674-D710 IonicContact CZ-OD1 2.78Å; R674-D710 IonicContact NE-OD1 2.62Å; R674-D710 PolarHBondContact NE-OD1 3.28Å; R674-D710 IonicContact NH2-OD1 3.52Å; R674-D710 PolarHBondContact NH2-OD1 3Å; R674-D710 IonicContact NH2-OD2 2.78Å; R674-D710 PolarHBondContact NH2-OD2 2.89Å
675D96Very high92.9Very high56 Ų5659.7 Ų59.730%0.29931%0.311SS..Hα-helixtrans-72.4-32.5-177.6-69.8-47000112.5T672 I673 I677 R678 Y679T672-D675 PolarHBondContact O-N 3.41Å; T672-D675 WeakPolarHBondContact OG1-CB 3.21Å; T672-D675 PolarHBondContact OG1-N 3.38Å; T672-D675 PolarHBondContact OG1-OD2 3.26Å; I673-D675 PolarHBondContact O-N 2.85Å; D675-I677 VanDerWaalsContact C-N 3.34Å; D675-I677 PolarHBondContact O-N 3.42Å; D675-R678 PolarHBondContact O-N 2.97Å; D675-R678 IonicContact OD1-CZ 3.43Å; D675-R678 IonicContact OD1-NH1 3.76Å; D675-R678 PolarHBondContact OD1-NH1 3.49Å; D675-Y679 PolarHBondContact O-N 3.27Å
676N95.3Very high93.6Very high2 Ų257 Ų571%0.01130%0.296CS..Hα-helixtrans-60.4-41.1170.7-89.2-83.2000112L668 F669 D671 T672 I673 Y679 V713 V728 R732L668-N676 WeakPolarHBondContact CA-OD1 3.49Å; F669-N676 PolarHBondContact N-OD1 3.03Å; F669-N676 PolarHBondContact O-ND2 3.04Å; F669-N676 VanDerWaalsContact O-ND2 3.08Å; D671-N676 PolarHBondContact O-ND2 3.31Å; T672-N676 WeakPolarHBondContact O-CB 3.45Å; T672-N676 PolarHBondContact O-N 3.42Å; T672-N676 PolarHBondContact O-ND2 3.22Å; I673-N676 PolarHBondContact O-N 2.98Å; N676-Y679 VanDerWaalsContact O-CB 3.31Å; N676-Y679 WeakPolarHBondContact O-CB 3.5Å; N676-V713 WeakPolarHBondContact ND2-CG2 3.41Å; N676-V728 HydrophobicContact CB-CG1 4.41Å; N676-R732 WeakPolarHBondContact O-CG 3.3Å; N676-R732 PolarHBondContact O-NE 3.01Å; N676-R732 PolarHBondContact O-NH2 3.42Å; N676-R732 PolarHBondContact OD1-NH2 3.03Å
677I96.1Very high94.2Very high0 Ų059.2 Ų59.20%031%0.312CS..Hα-helixtrans-72.4-45.1175.2-63.7171.8000110.4I673 R674 D675 Y679 G680 V689 A693 I702 Y709 V728 A731 L735I673-I677 HydrophobicContact CG2-CD1 3.96Å; I673-I677 HydrophobicContact CG2-CG1 4.41Å; I673-I677 WeakPolarHBondContact O-CG1 3.31Å; I673-I677 PolarHBondContact O-N 3.47Å; R674-I677 PolarHBondContact O-N 3.01Å; D675-I677 VanDerWaalsContact C-N 3.34Å; D675-I677 PolarHBondContact O-N 3.42Å; I677-Y679 PolarHBondContact O-N 3.38Å; I677-G680 PolarHBondContact O-N 3.27Å; I677-V689 HydrophobicContact CB-CG1 3.93Å; I677-V689 HydrophobicContact CG2-CG1 3.83Å; I677-A693 HydrophobicContact CD1-CB 4.01Å; I677-I702 HydrophobicContact CD1-CD1 4.1Å; I677-Y709 HydrophobicContact CD1-CE1 4.33Å; I677-V728 HydrophobicContact CG1-CG1 4.05Å; I677-A731 HydrophobicContact CD1-CB 4.36Å; I677-A731 HydrophobicContact CG1-CB 4.23Å; I677-A731 HydrophobicContact CG2-CB 3.94Å; I677-L735 HydrophobicContact CG2-CD2 4.36Å; I677-L735 WeakPolarHBondContact O-CD2 3.41Å
678R96.8Very high94.6Very high38 Ų3857.3 Ų57.314%0.14330%0.296CS..Hα-helixtrans-57.8-22.3177.5-167.8178.7-73.6133.2-6.3112.9R674 D675 G680 R681 I682 D686 V689R674-R678 WeakPolarHBondContact O-CB 3.47Å; R674-R678 PolarHBondContact O-N 2.91Å; D675-R678 PolarHBondContact O-N 2.97Å; D675-R678 IonicContact OD1-CZ 3.43Å; D675-R678 IonicContact OD1-NH1 3.76Å; D675-R678 PolarHBondContact OD1-NH1 3.49Å; R678-G680 PolarHBondContact O-N 3.47Å; R678-R681 CarbonylContact O-C 3.55Å; R678-R681 PolarHBondContact O-N 2.79Å; R678-R681 VanDerWaalsContact O-O 3.07Å; R678-I682 PolarHBondContact O-N 3.44Å; R678-D686 IonicContact CZ-OD1 3.81Å; R678-D686 IonicContact NH2-OD1 2.71Å; R678-D686 PolarHBondContact NH2-OD1 3.28Å; R678-D686 IonicContact NH2-OD2 3.84Å; R678-D686 PolarHBondContact NH2-OD2 3.4Å; R678-V689 HydrophobicContact CB-CG2 3.99Å; R678-V689 HydrophobicContact CG-CG2 4.28Å
679Y95Very high94.9Very high140 Ų14056.7 Ų56.755%0.54929%0.293SS..THydrogen-bonded Turntrans-53.8-26.8172.3-162.8-97.6000113.7F669 D675 N676 I677 R681F669-Y679 HydrophobicContact CD2-CD2 4.18Å; F669-Y679 HydrophobicContact CD2-CE2 4.35Å; F669-Y679 HydrophobicContact CD2-CG 4.42Å; F669-Y679 AromaticContact CE2-CD1 3.91Å; F669-Y679 HydrophobicContact CE2-CD1 3.91Å; F669-Y679 AromaticContact CE2-CD2 3.68Å; F669-Y679 HydrophobicContact CE2-CD2 3.68Å; F669-Y679 AromaticContact CE2-CE1 3.78Å; F669-Y679 HydrophobicContact CE2-CE1 3.78Å; F669-Y679 AromaticContact CE2-CE2 3.54Å; F669-Y679 HydrophobicContact CE2-CE2 3.54Å; F669-Y679 AromaticContact CE2-CG 3.87Å; F669-Y679 HydrophobicContact CE2-CG 3.87Å; F669-Y679 AromaticContact CE2-CZ 3.58Å; F669-Y679 HydrophobicContact CZ-CD2 4.38Å; F669-Y679 HydrophobicContact CZ-CE1 4.1Å; F669-Y679 AromaticContact CZ-CE2 3.77Å; F669-Y679 HydrophobicContact CZ-CE2 3.77Å; F669-Y679 AromaticContact CZ-CZ 3.61Å; D675-Y679 PolarHBondContact O-N 3.27Å; N676-Y679 VanDerWaalsContact O-CB 3.31Å; N676-Y679 WeakPolarHBondContact O-CB 3.5Å; I677-Y679 PolarHBondContact O-N 3.38Å; Y679-R681 VanDerWaalsContact C-N 3.3Å; Y679-R681 PolarHBondContact O-N 3.3Å
680G92.1Very high95.1Very high19 Ų1955.4 Ų55.420%0.19629%0.288CS..THydrogen-bonded Turntrans-60.7-36.8173.200000113.4I677 R678 R732I677-G680 PolarHBondContact O-N 3.27Å; R678-G680 PolarHBondContact O-N 3.47Å; G680-R732 WeakPolarHBondContact CA-O 3.43Å
681R94.6Very high95.2Very high89 Ų8956.8 Ų56.834%0.33629%0.292SS..  trans-154.7100.7174.7-174.4171.470.3178.45.9109.9R678 Y679 T683 A684 E688 L735R678-R681 CarbonylContact O-C 3.55Å; R678-R681 PolarHBondContact O-N 2.79Å; R678-R681 VanDerWaalsContact O-O 3.07Å; Y679-R681 VanDerWaalsContact C-N 3.3Å; Y679-R681 PolarHBondContact O-N 3.3Å; R681-T683 PolarHBondContact O-N 2.93Å; R681-A684 HydrophobicContact CB-CB 4.41Å; R681-A684 WeakPolarHBondContact O-CB 3.41Å; R681-A684 PolarHBondContact O-N 3.36Å; R681-E688 IonicContact CZ-OE1 3.95Å; R681-E688 IonicContact CZ-OE2 3.56Å; R681-E688 IonicContact NH2-OE1 2.99Å; R681-E688 PolarHBondContact NH2-OE1 3.47Å; R681-E688 IonicContact NH2-OE2 2.99Å; R681-E688 PolarHBondContact NH2-OE2 3.1Å; R681-L735 HydrophobicContact CB-CD2 4.48Å; R681-L735 HydrophobicContact CB-CG 4.22Å
682I93.9Very high95.3Very high136 Ų13653.8 Ų53.870%0.69728%0.276SS*.THydrogen-bonded Turntrans-58-28-172.2-57.1170.6000112.9R678 A684R678-I682 PolarHBondContact O-N 3.44Å; I682-A684 VanDerWaalsContact C-N 3.28Å; I682-A684 PolarHBondContact O-N 3.32Å
683T94.8Very high95.2Very high129 Ų12953.1 Ų53.179%0.79127%0.272SS*.THydrogen-bonded Turntrans-832179.858.60000114.1R681R681-T683 PolarHBondContact O-N 2.93Å
684A95.6Very high95.1Very high7 Ų757.8 Ų57.86%0.05830%0.296CS..  trans-72.9143.5-177.200000112.6R681 I682 E688 V689 L735R681-A684 HydrophobicContact CB-CB 4.41Å; R681-A684 WeakPolarHBondContact O-CB 3.41Å; R681-A684 PolarHBondContact O-N 3.36Å; I682-A684 VanDerWaalsContact C-N 3.28Å; I682-A684 PolarHBondContact O-N 3.32Å; A684-E688 WeakPolarHBondContact CA-OE2 3.46Å; A684-E688 HydrophobicContact CB-CB 4.28Å; A684-E688 VanDerWaalsContact CB-OE2 3.29Å; A684-E688 WeakPolarHBondContact CB-OE2 3.4Å; A684-V689 HydrophobicContact CB-CG2 4.48Å; A684-L735 HydrophobicContact CB-CD1 3.82Å; A684-L735 HydrophobicContact CB-CD2 3.9Å; A684-L735 HydrophobicContact CB-CG 4.09Å
685S96.6Very high94.8Very high58 Ų5857.7 Ų57.741%0.40631%0.305SS..  trans-76.2163.2173.876.20000111.4S687 E688 V689S685-S687 PolarHBondContact O-N 3.03Å; S685-E688 PolarHBondContact N-OE2 3.46Å; S685-E688 PolarHBondContact O-N 3.16Å; S685-E688 VanDerWaalsContact O-N 3.12Å; S685-E688 PolarHBondContact OG-N 2.89Å; S685-V689 WeakPolarHBondContact O-CG2 3.47Å; S685-V689 PolarHBondContact O-N 3.12Å; S685-V689 VanDerWaalsContact O-N 3.07Å
686D95.6Very high94.5Very high69 Ų6955 Ų5537%0.36929%0.291SS..Hα-helixtrans-61.6-35.7179.6-64.737.9000111.5R674 R678 E688 V689 E690R674-D686 IonicContact CZ-OD2 3.26Å; R674-D686 IonicContact NE-OD2 3.59Å; R674-D686 IonicContact NH1-OD2 3.46Å; R674-D686 PolarHBondContact NH1-OD2 2.89Å; R678-D686 IonicContact CZ-OD1 3.81Å; R678-D686 IonicContact NH2-OD1 2.71Å; R678-D686 PolarHBondContact NH2-OD1 3.28Å; R678-D686 IonicContact NH2-OD2 3.84Å; R678-D686 PolarHBondContact NH2-OD2 3.4Å; D686-E688 PolarHBondContact O-N 3.49Å; D686-V689 WeakPolarHBondContact O-CB 3.4Å; D686-V689 PolarHBondContact O-N 3.19Å; D686-E690 WeakPolarHBondContact O-CG 3.45Å; D686-E690 PolarHBondContact O-N 3.46Å
687S96.4Very high94.2Very high65 Ų6558.3 Ų58.346%0.45531%0.308SS..Hα-helixtrans-60.2-45173-170.10000112S685 V689 E690 E691S685-S687 PolarHBondContact O-N 3.03Å; S687-V689 VanDerWaalsContact C-N 3.29Å; S687-V689 PolarHBondContact O-N 3.17Å; S687-E690 PolarHBondContact O-N 3.2Å; S687-E691 WeakPolarHBondContact O-CB 3.39Å; S687-E691 WeakPolarHBondContact O-CG 3.47Å; S687-E691 PolarHBondContact O-N 3.11Å; S687-E691 PolarHBondContact OG-OE1 3.35Å
688E95.8Very high93.9Very high66 Ų6658.4 Ų58.431%0.30831%0.309SS..Hα-helixtrans-66.4-33.8178.4-66.6-178.4139.300111.6R681 A684 S685 D686 A692 L735R681-E688 IonicContact CZ-OE1 3.95Å; R681-E688 IonicContact CZ-OE2 3.56Å; R681-E688 IonicContact NH2-OE1 2.99Å; R681-E688 PolarHBondContact NH2-OE1 3.47Å; R681-E688 IonicContact NH2-OE2 2.99Å; R681-E688 PolarHBondContact NH2-OE2 3.1Å; A684-E688 WeakPolarHBondContact CA-OE2 3.46Å; A684-E688 HydrophobicContact CB-CB 4.28Å; A684-E688 VanDerWaalsContact CB-OE2 3.29Å; A684-E688 WeakPolarHBondContact CB-OE2 3.4Å; S685-E688 PolarHBondContact N-OE2 3.46Å; S685-E688 PolarHBondContact O-N 3.16Å; S685-E688 VanDerWaalsContact O-N 3.12Å; S685-E688 PolarHBondContact OG-N 2.89Å; D686-E688 PolarHBondContact O-N 3.49Å; E688-A692 WeakPolarHBondContact O-CB 3.44Å; E688-A692 PolarHBondContact O-N 3.01Å; E688-L735 HydrophobicContact CB-CD1 3.88Å; E688-L735 WeakPolarHBondContact O-CD1 3.27Å
689V96.8Very high93.8Very high1 Ų158.6 Ų58.61%0.00631%0.311CS..Hα-helixtrans-65.7-43175170.40000110.9R674 I677 R678 A684 S685 D686 S687 A692 A693 Y709 L735R674-V689 HydrophobicContact CG-CG1 4.3Å; I677-V689 HydrophobicContact CB-CG1 3.93Å; I677-V689 HydrophobicContact CG2-CG1 3.83Å; R678-V689 HydrophobicContact CB-CG2 3.99Å; R678-V689 HydrophobicContact CG-CG2 4.28Å; A684-V689 HydrophobicContact CB-CG2 4.48Å; S685-V689 WeakPolarHBondContact O-CG2 3.47Å; S685-V689 PolarHBondContact O-N 3.12Å; S685-V689 VanDerWaalsContact O-N 3.07Å; D686-V689 WeakPolarHBondContact O-CB 3.4Å; D686-V689 PolarHBondContact O-N 3.19Å; S687-V689 VanDerWaalsContact C-N 3.29Å; S687-V689 PolarHBondContact O-N 3.17Å; V689-A692 PolarHBondContact O-N 3.49Å; V689-A693 WeakPolarHBondContact O-CB 3.46Å; V689-A693 PolarHBondContact O-N 3.23Å; V689-Y709 HydrophobicContact CG1-CE1 4.41Å; V689-L735 HydrophobicContact CG2-CD2 4.05Å
690E96.1Very high93.7Very high74 Ų7457.5 Ų57.535%0.34632%0.315SS..Hα-helixtrans-65.1-46.3175.7-72.7175.7-163.700111.7D686 S687 A692 A693 I694 Y709D686-E690 WeakPolarHBondContact O-CG 3.45Å; D686-E690 PolarHBondContact O-N 3.46Å; S687-E690 PolarHBondContact O-N 3.2Å; E690-A692 VanDerWaalsContact C-N 3.31Å; E690-A692 PolarHBondContact O-N 3.46Å; E690-A693 WeakPolarHBondContact O-CB 3.29Å; E690-A693 PolarHBondContact O-N 3.35Å; E690-A693 VanDerWaalsContact O-N 3.07Å; E690-I694 WeakPolarHBondContact O-CG1 3.44Å; E690-I694 PolarHBondContact O-N 3.41Å; E690-Y709 HydrophobicContact CG-CE1 4.33Å; E690-Y709 HydrophobicContact CG-CE2 3.96Å
691E94.1Very high93.6Very high117 Ų11760.9 Ų60.955%0.54732%0.324SS..Hα-helixtrans-57.9-42.7175.2-74.8172.4-155.500112S687 A693 I694 A695S687-E691 WeakPolarHBondContact O-CB 3.39Å; S687-E691 WeakPolarHBondContact O-CG 3.47Å; S687-E691 PolarHBondContact O-N 3.11Å; S687-E691 PolarHBondContact OG-OE1 3.35Å; E691-A693 VanDerWaalsContact C-N 3.33Å; E691-A693 PolarHBondContact O-N 3.05Å; E691-I694 PolarHBondContact O-N 3.32Å; E691-A695 WeakPolarHBondContact O-CB 3.38Å; E691-A695 PolarHBondContact O-N 3.03Å
692A93.6Very high93.6Very high3 Ų356.7 Ų56.73%0.02531%0.309CS..Hα-helixtrans-65.1-36.5175.900000112.4E688 V689 E690 A696 I734 L735E688-A692 WeakPolarHBondContact O-CB 3.44Å; E688-A692 PolarHBondContact O-N 3.01Å; V689-A692 PolarHBondContact O-N 3.49Å; E690-A692 VanDerWaalsContact C-N 3.31Å; E690-A692 PolarHBondContact O-N 3.46Å; A692-A696 WeakPolarHBondContact O-CB 3.39Å; A692-A696 PolarHBondContact O-N 3.01Å; A692-I734 HydrophobicContact CB-CB 4.47Å; A692-I734 HydrophobicContact CB-CG2 4.14Å; A692-L735 HydrophobicContact CB-CB 3.95Å; A692-L735 HydrophobicContact CB-CD1 4.09Å
693A94.4Very high93.6Very high0 Ų055.7 Ų55.70%030%0.302CS..Hα-helixtrans-69.7-36.9175.900000112.6I677 V689 E690 E691 A696 D697 I698 H699 I702 Y709I677-A693 HydrophobicContact CD1-CB 4.01Å; V689-A693 WeakPolarHBondContact O-CB 3.46Å; V689-A693 PolarHBondContact O-N 3.23Å; E690-A693 WeakPolarHBondContact O-CB 3.29Å; E690-A693 PolarHBondContact O-N 3.35Å; E690-A693 VanDerWaalsContact O-N 3.07Å; E691-A693 VanDerWaalsContact C-N 3.33Å; E691-A693 PolarHBondContact O-N 3.05Å; A693-A696 CarbonylContact O-C 3.56Å; A693-A696 PolarHBondContact O-N 3.1Å; A693-D697 PolarHBondContact O-N 2.92Å; A693-I698 HydrophobicContact CB-CG2 3.97Å; A693-I698 WeakPolarHBondContact O-CG2 3.49Å; A693-I698 PolarHBondContact O-N 3.02Å; A693-H699 HydrophobicContact CB-CB 4.35Å; A693-H699 PolarHBondContact O-N 3.36Å; A693-I702 HydrophobicContact CB-CD1 4.31Å; A693-Y709 HydrophobicContact CB-CE1 4.14Å; A693-Y709 WeakPolarHBondContact CB-OH 3.32Å
694I92.3Very high93.6Very high101 Ų10154.1 Ų54.152%0.51829%0.292SS..Hα-helixtrans-64.9-46.8173.2-66.9165000109.5E690 E691 A696 D697 H699E690-I694 WeakPolarHBondContact O-CG1 3.44Å; E690-I694 PolarHBondContact O-N 3.41Å; E691-I694 PolarHBondContact O-N 3.32Å; I694-A696 PolarHBondContact O-N 2.85Å; I694-D697 PolarHBondContact O-N 3.45Å; I694-H699 HydrophobicContact CB-CB 4.39Å; I694-H699 HydrophobicContact CG1-CB 3.58Å
695A88.6Confident93.5Very high42 Ų4255 Ų5535%0.34730%0.295SS..Hα-helixtrans-64.2-26.8178.900000113.2E691 I734E691-A695 WeakPolarHBondContact O-CB 3.38Å; E691-A695 PolarHBondContact O-N 3.03Å; A695-I734 HydrophobicContact CB-CD1 3.78Å; A695-I734 HydrophobicContact CB-CG2 4.21Å
696A89.6Confident93.1Very high0 Ų058.5 Ų58.50%032%0.316CS..THydrogen-bonded Turntrans-90.25.5173.800000114.3A692 A693 I694 I698 I730 A731 I734A692-A696 WeakPolarHBondContact O-CB 3.39Å; A692-A696 PolarHBondContact O-N 3.01Å; A693-A696 CarbonylContact O-C 3.56Å; A693-A696 PolarHBondContact O-N 3.1Å; I694-A696 PolarHBondContact O-N 2.85Å; A696-I698 VanDerWaalsContact C-N 3.29Å; A696-I698 HydrophobicContact CB-CG2 4.32Å; A696-I698 PolarHBondContact O-N 3.42Å; A696-I730 HydrophobicContact CB-CB 4.33Å; A696-I730 HydrophobicContact CB-CG2 4.06Å; A696-A731 HydrophobicContact CB-CB 3.7Å; A696-I734 HydrophobicContact CB-CD1 4.08Å
697D89.1Confident93Very high70 Ų7061 Ų6137%0.37433%0.326SS..THydrogen-bonded Turntrans5934178.8-164.440.1000113.2A693 I694 R727A693-D697 PolarHBondContact O-N 2.92Å; I694-D697 PolarHBondContact O-N 3.45Å; D697-R727 PolarHBondContact O-NH1 3.46Å; D697-R727 IonicContact OD2-CZ 3.1Å; D697-R727 IonicContact OD2-NH1 3.99Å; D697-R727 PolarHBondContact OD2-NH1 3.49Å; D697-R727 IonicContact OD2-NH2 2.65Å
698I91.3Very high92.9Very high3 Ų358.6 Ų58.62%0.01531%0.311CS..  trans-117-12.6179.3-168.3156.6000113.9A693 A696 D700 K701 I702 E724 R727 V728A693-I698 HydrophobicContact CB-CG2 3.97Å; A693-I698 WeakPolarHBondContact O-CG2 3.49Å; A693-I698 PolarHBondContact O-N 3.02Å; A696-I698 VanDerWaalsContact C-N 3.29Å; A696-I698 HydrophobicContact CB-CG2 4.32Å; A696-I698 PolarHBondContact O-N 3.42Å; I698-D700 PolarHBondContact O-N 3.24Å; I698-K701 PolarHBondContact O-N 2.99Å; I698-I702 HydrophobicContact CB-CD1 4.47Å; I698-I702 HydrophobicContact CG1-CD1 4.02Å; I698-I702 HydrophobicContact CG1-CG1 4.02Å; I698-I702 HydrophobicContact CG2-CD1 3.96Å; I698-I702 WeakPolarHBondContact O-CG1 3.29Å; I698-I702 PolarHBondContact O-N 3.06Å; I698-E724 HydrophobicContact CD1-CB 4.28Å; I698-E724 VanDerWaalsContact CD1-O 3.25Å; I698-E724 WeakPolarHBondContact CD1-O 3.35Å; I698-R727 HydrophobicContact CB-CB 3.94Å; I698-R727 HydrophobicContact CD1-CB 3.76Å; I698-R727 HydrophobicContact CG1-CB 4.37Å; I698-R727 HydrophobicContact CG2-CB 4.47Å; I698-V728 HydrophobicContact CD1-CG2 3.59Å
699H94.2Very high92.8Very high41 Ų4156 Ų5619%0.1930%0.298CS..Hα-helixtrans-52.1-53.5-179.5176.678.9000113.1A693 I694 K701 I702 M703 Y709A693-H699 HydrophobicContact CB-CB 4.35Å; A693-H699 PolarHBondContact O-N 3.36Å; I694-H699 HydrophobicContact CB-CB 4.39Å; I694-H699 HydrophobicContact CG1-CB 3.58Å; H699-K701 PolarHBondContact O-N 3.39Å; H699-I702 WeakPolarHBondContact O-CB 3.44Å; H699-I702 PolarHBondContact O-N 3.03Å; H699-M703 WeakPolarHBondContact O-CG 3.4Å; H699-M703 PolarHBondContact O-N 2.95Å; H699-Y709 AromaticContact ND1-CE2 3.71Å; H699-Y709 AromaticContact ND1-CZ 3.73Å; H699-Y709 PolarHBondContact ND1-OH 3.29Å
700D92.3Very high92.8Very high117 Ų11759.7 Ų59.763%0.62632%0.318SS*.Hα-helixtrans-59.8-38.6-177.1-62.7-28.3000111.7I698 M703 T704I698-D700 PolarHBondContact O-N 3.24Å; D700-M703 PolarHBondContact O-N 2.94Å; D700-T704 WeakPolarHBondContact O-CG2 3.47Å; D700-T704 PolarHBondContact O-N 2.87Å
701K90.1Very high92.7Very high91 Ų9156.6 Ų56.640%0.39630%0.304SS..Hα-helixtrans-66-42.8176.3-176.567.8-164.6-165.10111.5I698 H699 M703 T704 F705 E724I698-K701 PolarHBondContact O-N 2.99Å; H699-K701 PolarHBondContact O-N 3.39Å; K701-M703 VanDerWaalsContact C-N 3.26Å; K701-M703 PolarHBondContact O-N 3.49Å; K701-T704 WeakPolarHBondContact O-CB 3.46Å; K701-T704 PolarHBondContact O-N 3.37Å; K701-T704 PolarHBondContact O-OG1 2.92Å; K701-F705 HydrophobicContact CG-CZ 4.02Å; K701-E724 WeakPolarHBondContact CD-OE1 3.38Å; K701-E724 WeakPolarHBondContact CE-OE1 3.24Å; K701-E724 HydrophobicContact CG-CG 4.41Å; K701-E724 IonicContact NZ-OE1 3.84Å
702I94.3Very high92.6Very high1 Ų155.4 Ų55.41%0.00530%0.299CS..Hα-helixtrans-58.8-42.4176.7-66.5164.8000110.1I673 I677 A693 I698 H699 T704 F705 G708 Y709I673-I702 HydrophobicContact CD1-CG1 4.3Å; I673-I702 HydrophobicContact CG2-CD1 3.67Å; I673-I702 HydrophobicContact CG2-CG1 4.03Å; I677-I702 HydrophobicContact CD1-CD1 4.1Å; A693-I702 HydrophobicContact CB-CD1 4.31Å; I698-I702 HydrophobicContact CB-CD1 4.47Å; I698-I702 HydrophobicContact CG1-CD1 4.02Å; I698-I702 HydrophobicContact CG1-CG1 4.02Å; I698-I702 HydrophobicContact CG2-CD1 3.96Å; I698-I702 WeakPolarHBondContact O-CG1 3.29Å; I698-I702 PolarHBondContact O-N 3.06Å; H699-I702 WeakPolarHBondContact O-CB 3.44Å; H699-I702 PolarHBondContact O-N 3.03Å; I702-T704 PolarHBondContact O-N 3.33Å; I702-F705 WeakPolarHBondContact O-CB 3.19Å; I702-F705 PolarHBondContact O-N 3.25Å; I702-G708 VanDerWaalsContact CG2-C 3.44Å; I702-G708 WeakPolarHBondContact CG2-O 3.39Å; I702-G708 WeakPolarHBondContact O-CA 3.35Å; I702-Y709 HydrophobicContact CD1-CD1 4.42Å; I702-Y709 HydrophobicContact CD1-CE1 3.87Å; I702-Y709 HydrophobicContact CG2-CD1 4.04Å; I702-Y709 HydrophobicContact CG2-CD2 3.74Å; I702-Y709 HydrophobicContact CG2-CE1 4.23Å; I702-Y709 HydrophobicContact CG2-CE2 3.92Å; I702-Y709 HydrophobicContact CG2-CG 3.8Å
703M94.8Very high92.5Very high115 Ų11555.4 Ų55.457%0.56730%0.298SS*.Hα-helixtrans-66.4-17.3178.1-64.6-58.7-70.200113.8H699 D700 K701 F705 Y709H699-M703 WeakPolarHBondContact O-CG 3.4Å; H699-M703 PolarHBondContact O-N 2.95Å; D700-M703 PolarHBondContact O-N 2.94Å; K701-M703 VanDerWaalsContact C-N 3.26Å; K701-M703 PolarHBondContact O-N 3.49Å; M703-F705 VanDerWaalsContact C-N 3.32Å; M703-Y709 HydrophobicContact SD-CD2 4.38Å; M703-Y709 HydrophobicContact SD-CE2 4.25Å
704T93.8Very high92.1Very high95 Ų9556 Ų5658%0.58330%0.304SS*.THydrogen-bonded Turntrans-77.5-16.1171.468.30000113.8D700 K701 I702D700-T704 WeakPolarHBondContact O-CG2 3.47Å; D700-T704 PolarHBondContact O-N 2.87Å; K701-T704 WeakPolarHBondContact O-CB 3.46Å; K701-T704 PolarHBondContact O-N 3.37Å; K701-T704 PolarHBondContact O-OG1 2.92Å; I702-T704 PolarHBondContact O-N 3.33Å
705F93.6Very high91.3Very high25 Ų2558.8 Ų58.811%0.1132%0.315CS..SBendtrans-76.8146.2178-57.4-39.6000111I673 K701 I702 M703 E707 G708 T711 L718 L720I673-F705 HydrophobicContact CD1-CD2 3.62Å; I673-F705 HydrophobicContact CD1-CE2 3.57Å; K701-F705 HydrophobicContact CG-CZ 4.02Å; I702-F705 WeakPolarHBondContact O-CB 3.19Å; I702-F705 PolarHBondContact O-N 3.25Å; M703-F705 VanDerWaalsContact C-N 3.32Å; F705-E707 PolarHBondContact O-N 3.33Å; F705-E707 VanDerWaalsContact O-N 3.14Å; F705-G708 PolarHBondContact O-N 3.01Å; F705-T711 HydrophobicContact CB-CG2 4.27Å; F705-T711 VanDerWaalsContact CB-OG1 3.26Å; F705-T711 WeakPolarHBondContact CB-OG1 3.22Å; F705-T711 HydrophobicContact CD2-CG2 4.34Å; F705-T711 HydrophobicContact CG-CG2 4.41Å; F705-L718 HydrophobicContact CE1-CD2 4.06Å; F705-L718 HydrophobicContact CZ-CD2 4.07Å; F705-L720 HydrophobicContact CE2-CD2 3.77Å; F705-L720 HydrophobicContact CZ-CD2 3.53Å
706P88.6Confident90Very high132 Ų13265.2 Ų65.286%0.85733%0.331SS*.THydrogen-bonded Turntrans-55-34.4-177.5-26.834.4000114.6
707E92.7Very high89.1Confident123 Ų12366.5 Ų66.558%0.57534%0.343SS*.THydrogen-bonded Turntrans-105.48.6-179.1-62.8179.8166.900112.6F705 Y709 D710F705-E707 PolarHBondContact O-N 3.33Å; F705-E707 VanDerWaalsContact O-N 3.14Å; E707-Y709 PolarHBondContact O-N 3.33Å; E707-D710 PolarHBondContact O-N 3.28Å
708G94.3Very high88.6Confident13 Ų1366.6 Ų66.613%0.13434%0.344CS..G310 helixtrans52.8-125.6-179.500000112.6I702 F705 D710 T711I702-G708 VanDerWaalsContact CG2-C 3.44Å; I702-G708 WeakPolarHBondContact CG2-O 3.39Å; I702-G708 WeakPolarHBondContact O-CA 3.35Å; F705-G708 PolarHBondContact O-N 3.01Å; G708-D710 VanDerWaalsContact C-N 3.26Å; G708-D710 PolarHBondContact O-N 3.26Å; G708-T711 PolarHBondContact N-OG1 3.34Å; G708-T711 VanDerWaalsContact O-CB 3.3Å; G708-T711 WeakPolarHBondContact O-CB 3.14Å; G708-T711 PolarHBondContact O-N 2.91Å; G708-T711 PolarHBondContact O-OG1 3.26Å
709Y95.2Very high88Confident11 Ų1174.5 Ų74.54%0.04338%0.378CS..G310 helixtrans-66.4-22.6177.9-83.7-87.8000114.7I673 R674 I677 V689 E690 A693 H699 I702 M703 E707 T711I673-Y709 PolarHBondContact N-O 3.02Å; R674-Y709 HydrophobicContact CB-CD1 4.43Å; R674-Y709 WeakPolarHBondContact CB-O 3.36Å; R674-Y709 PolarHBondContact N-O 3.1Å; I677-Y709 HydrophobicContact CD1-CE1 4.33Å; V689-Y709 HydrophobicContact CG1-CE1 4.41Å; E690-Y709 HydrophobicContact CG-CE1 4.33Å; E690-Y709 HydrophobicContact CG-CE2 3.96Å; A693-Y709 HydrophobicContact CB-CE1 4.14Å; A693-Y709 WeakPolarHBondContact CB-OH 3.32Å; H699-Y709 AromaticContact ND1-CE2 3.71Å; H699-Y709 AromaticContact ND1-CZ 3.73Å; H699-Y709 PolarHBondContact ND1-OH 3.29Å; I702-Y709 HydrophobicContact CD1-CD1 4.42Å; I702-Y709 HydrophobicContact CD1-CE1 3.87Å; I702-Y709 HydrophobicContact CG2-CD1 4.04Å; I702-Y709 HydrophobicContact CG2-CD2 3.74Å; I702-Y709 HydrophobicContact CG2-CE1 4.23Å; I702-Y709 HydrophobicContact CG2-CE2 3.92Å; I702-Y709 HydrophobicContact CG2-CG 3.8Å; M703-Y709 HydrophobicContact SD-CD2 4.38Å; M703-Y709 HydrophobicContact SD-CE2 4.25Å; E707-Y709 PolarHBondContact O-N 3.33Å; Y709-T711 VanDerWaalsContact C-N 3.27Å
710D95.2Very high87.6Confident79 Ų7973 Ų7342%0.42237%0.371SS..G310 helixtrans-87.5-1.8-178.2-56.9-33.4000112T672 R674 E707 G708 Q712T672-D710 WeakPolarHBondContact CG2-O 3.31Å; R674-D710 IonicContact CZ-OD1 2.78Å; R674-D710 IonicContact NE-OD1 2.62Å; R674-D710 PolarHBondContact NE-OD1 3.28Å; R674-D710 IonicContact NH2-OD1 3.52Å; R674-D710 PolarHBondContact NH2-OD1 3Å; R674-D710 IonicContact NH2-OD2 2.78Å; R674-D710 PolarHBondContact NH2-OD2 2.89Å; E707-D710 PolarHBondContact O-N 3.28Å; G708-D710 VanDerWaalsContact C-N 3.26Å; G708-D710 PolarHBondContact O-N 3.26Å; D710-Q712 PolarHBondContact O-N 3.34Å
711T94.1Very high87.3Confident9 Ų970.2 Ų70.26%0.05536%0.361CS..  trans-52.9124.5173.4-560000110.8T672 I673 F705 G708 Y709 V713 L718T672-T711 WeakPolarHBondContact CA-O 3.07Å; I673-T711 HydrophobicContact CD1-CG2 4.38Å; I673-T711 PolarHBondContact N-O 3.41Å; F705-T711 HydrophobicContact CB-CG2 4.27Å; F705-T711 VanDerWaalsContact CB-OG1 3.26Å; F705-T711 WeakPolarHBondContact CB-OG1 3.22Å; F705-T711 HydrophobicContact CD2-CG2 4.34Å; F705-T711 HydrophobicContact CG-CG2 4.41Å; G708-T711 PolarHBondContact N-OG1 3.34Å; G708-T711 VanDerWaalsContact O-CB 3.3Å; G708-T711 WeakPolarHBondContact O-CB 3.14Å; G708-T711 PolarHBondContact O-N 2.91Å; G708-T711 PolarHBondContact O-OG1 3.26Å; Y709-T711 VanDerWaalsContact C-N 3.27Å; T711-V713 PolarHBondContact O-N 3.5Å; T711-L718 HydrophobicContact CG2-CB 4.22Å
712Q92.4Very high87Confident93 Ų9367.9 Ų67.944%0.43536%0.363SS..EExtended strand (participates in β ladder)trans-72123.9176-67.3-71-27.900111.2D710 L718D710-Q712 PolarHBondContact O-N 3.34Å; Q712-L718 PolarHBondContact O-N 3.31Å
713V91.9Very high86.5Confident2 Ų268 Ų681%0.01237%0.365CS..EExtended strand (participates in β ladder)trans-122.4165.6176.9-67.50000111L668 N670 D671 I673 N676 T711 L720L668-V713 HydrophobicContact CB-CG2 4.43Å; L668-V713 HydrophobicContact CD1-CB 4.03Å; L668-V713 HydrophobicContact CD1-CG2 4.03Å; N670-V713 VanDerWaalsContact CA-O 3.27Å; N670-V713 WeakPolarHBondContact CA-O 3.42Å; D671-V713 PolarHBondContact N-O 3.04Å; D671-V713 VanDerWaalsContact O-CG2 3.31Å; D671-V713 WeakPolarHBondContact O-CG2 3.4Å; D671-V713 PolarHBondContact O-N 3.45Å; I673-V713 HydrophobicContact CD1-CG1 3.86Å; I673-V713 HydrophobicContact CG1-CB 4.34Å; I673-V713 HydrophobicContact CG1-CG1 3.44Å; I673-V713 VanDerWaalsContact CG1-CG1 3.44Å; I673-V713 HydrophobicContact CG1-CG2 3.94Å; N676-V713 WeakPolarHBondContact ND2-CG2 3.41Å; T711-V713 PolarHBondContact O-N 3.5Å; V713-L720 HydrophobicContact CG1-CD1 4.25Å; V713-L720 HydrophobicContact CG1-CD2 4.48Å; V713-L720 HydrophobicContact CG1-CG 4.07Å
714G86.8Confident86.2Confident12 Ų1264.3 Ų64.312%0.12435%0.346CS..SBendtrans136.5-158.3178.600000112.6N670 R716N670-G714 WeakPolarHBondContact OD1-CA 3.32Å; G714-R716 VanDerWaalsContact C-N 3.3Å
715E74.4Confident86Confident161 Ų16163.3 Ų63.375%0.75233%0.334SS*.SBendtrans-68.2-31.8174.1-71.8-174.1164.100112.3N670N670-E715 PolarHBondContact OD1-N 3.02Å
716R61.6Low85.7Confident177 Ų17762.5 Ų62.567%0.66833%0.33SS*.SBendtrans-107.1-11-177.5-62.9-177.7-179171.5-2.9114.6E215 N670 G714E215-R716 VanDerWaalsContact CD-NH1 3.28Å; E215-R716 IonicContact OE1-CZ 3.75Å; E215-R716 IonicContact OE1-NH1 3.65Å; E215-R716 PolarHBondContact OE1-NH1 2.76Å; E215-R716 IonicContact OE1-NH2 2.62Å; E215-R716 PolarHBondContact OE1-NH2 2.89Å; E215-R716 IonicContact OE2-NH1 3.94Å; N670-R716 PolarHBondContact OD1-N 3.36Å; G714-R716 VanDerWaalsContact C-N 3.3Å
717G71Confident85.8Confident26 Ų2657.7 Ų57.727%0.26830%0.295SS..SBendtrans-92.4-162.4177.700000112.9K719G717-K719 PolarHBondContact O-N 3.46Å
718L77.7Confident85.8Confident73 Ų7351.9 Ų51.938%0.38227%0.268SS..BIsolated β-bridgetrans-61.1124.9173.6-175.3133.2000110F705 T711 Q712 L720F705-L718 HydrophobicContact CE1-CD2 4.06Å; F705-L718 HydrophobicContact CZ-CD2 4.07Å; T711-L718 HydrophobicContact CG2-CB 4.22Å; Q712-L718 PolarHBondContact O-N 3.31Å; L718-L720 HydrophobicContact CD2-CD2 3.73Å; L718-L720 HydrophobicContact CD2-CG 4.48Å; L718-L720 PolarHBondContact O-N 2.96Å
719K80.1Confident85.7Confident169 Ų16951.4 Ų51.474%0.73526%0.263SS*.  trans-79.5102178.1-69.1-174.1178.9178.80109.4G717G717-K719 PolarHBondContact O-N 3.46Å
720L85.3Confident85.5Confident8 Ų851 Ų514%0.04226%0.261CS..  trans-62.2144.6165.3-65.8-173.5000110.2L668 F705 V713 L718 E724 K725 V728L668-L720 HydrophobicContact CD1-CB 4.41Å; L668-L720 HydrophobicContact CD1-CD1 3.76Å; L668-L720 HydrophobicContact CD1-CG 4.24Å; F705-L720 HydrophobicContact CE2-CD2 3.77Å; F705-L720 HydrophobicContact CZ-CD2 3.53Å; V713-L720 HydrophobicContact CG1-CD1 4.25Å; V713-L720 HydrophobicContact CG1-CD2 4.48Å; V713-L720 HydrophobicContact CG1-CG 4.07Å; L718-L720 HydrophobicContact CD2-CD2 3.73Å; L718-L720 HydrophobicContact CD2-CG 4.48Å; L718-L720 PolarHBondContact O-N 2.96Å; L720-E724 HydrophobicContact CB-CB 3.9Å; L720-E724 HydrophobicContact CD1-CB 4.35Å; L720-E724 HydrophobicContact CD2-CB 4.29Å; L720-E724 HydrophobicContact CG-CB 4.41Å; L720-K725 HydrophobicContact CB-CG 3.82Å; L720-K725 VanDerWaalsContact O-CE 3.24Å; L720-K725 WeakPolarHBondContact O-CE 3.2Å; L720-V728 HydrophobicContact CD1-CG2 3.96Å
721S86.5Confident85.4Confident59 Ų5947.2 Ų47.241%0.41324%0.241SC..  trans-63163.8170.266.40000111.2G723 E724 K725S721-G723 VanDerWaalsContact C-N 3.3Å; S721-G723 PolarHBondContact O-N 3.42Å; S721-E724 WeakPolarHBondContact CB-OE2 3.38Å; S721-E724 PolarHBondContact N-OE2 3.14Å; S721-E724 PolarHBondContact O-N 3.11Å; S721-E724 WeakPolarHBondContact OG-CB 3.17Å; S721-E724 WeakPolarHBondContact OG-CG 3.33Å; S721-E724 PolarHBondContact OG-N 3.46Å; S721-E724 PolarHBondContact OG-OE2 3Å; S721-K725 WeakPolarHBondContact O-CG 3.37Å; S721-K725 PolarHBondContact O-N 3.23Å
722G82.7Confident85.4Confident42 Ų4248.4 Ų48.443%0.43324%0.244SC..Hα-helixtrans-54.6-44.617900000113K725 Q726G722-K725 PolarHBondContact O-N 3.49Å; G722-Q726 PolarHBondContact O-N 2.88Å
723G83.6Confident85.4Confident5 Ų544.3 Ų44.35%0.05223%0.226CC..Hα-helixtrans-66.5-39.5177.800000113.9S721 Q726 R727 L750S721-G723 VanDerWaalsContact C-N 3.3Å; S721-G723 PolarHBondContact O-N 3.42Å; G723-Q726 WeakPolarHBondContact O-CB 3.2Å; G723-Q726 PolarHBondContact O-N 3.28Å; G723-R727 WeakPolarHBondContact O-CG 3.26Å; G723-R727 PolarHBondContact O-N 2.73Å; G723-L750 VanDerWaalsContact N-CD2 3.26Å
724E88.6Confident85.5Confident37 Ų3746 Ų4617%0.17323%0.234CC..Hα-helixtrans-65.1-44.2175.9-72.3160.5167.200111.1I698 K701 L720 S721 Q726 R727 V728I698-E724 HydrophobicContact CD1-CB 4.28Å; I698-E724 VanDerWaalsContact CD1-O 3.25Å; I698-E724 WeakPolarHBondContact CD1-O 3.35Å; K701-E724 WeakPolarHBondContact CD-OE1 3.38Å; K701-E724 WeakPolarHBondContact CE-OE1 3.24Å; K701-E724 HydrophobicContact CG-CG 4.41Å; K701-E724 IonicContact NZ-OE1 3.84Å; L720-E724 HydrophobicContact CB-CB 3.9Å; L720-E724 HydrophobicContact CD1-CB 4.35Å; L720-E724 HydrophobicContact CD2-CB 4.29Å; L720-E724 HydrophobicContact CG-CB 4.41Å; S721-E724 WeakPolarHBondContact CB-OE2 3.38Å; S721-E724 PolarHBondContact N-OE2 3.14Å; S721-E724 PolarHBondContact O-N 3.11Å; S721-E724 WeakPolarHBondContact OG-CB 3.17Å; S721-E724 WeakPolarHBondContact OG-CG 3.33Å; S721-E724 PolarHBondContact OG-N 3.46Å; S721-E724 PolarHBondContact OG-OE2 3Å; E724-Q726 VanDerWaalsContact C-N 3.26Å; E724-Q726 PolarHBondContact O-N 3.45Å; E724-R727 PolarHBondContact O-N 2.93Å; E724-V728 WeakPolarHBondContact O-CG2 3.48Å; E724-V728 PolarHBondContact O-N 2.94Å
725K89.4Confident85.8Confident74 Ų7445.8 Ų45.832%0.32223%0.23SC..Hα-helixtrans-56.5-44173.8-70.1179.1177.3177.10111.2T666 L668 L720 S721 G722 V728 A729T666-K725 HydrophobicContact CG2-CB 4.46Å; T666-K725 WeakPolarHBondContact CG2-O 3.44Å; L668-K725 HydrophobicContact CD1-CG 4.02Å; L668-K725 HydrophobicContact CG-CG 4.41Å; L720-K725 HydrophobicContact CB-CG 3.82Å; L720-K725 VanDerWaalsContact O-CE 3.24Å; L720-K725 WeakPolarHBondContact O-CE 3.2Å; S721-K725 WeakPolarHBondContact O-CG 3.37Å; S721-K725 PolarHBondContact O-N 3.23Å; G722-K725 PolarHBondContact O-N 3.49Å; K725-V728 WeakPolarHBondContact O-CB 3.44Å; K725-V728 PolarHBondContact O-N 3.38Å; K725-A729 PolarHBondContact O-N 3.4Å; K725-A729 VanDerWaalsContact O-N 3.07Å
726Q88.1Confident86.7Confident8 Ų841.3 Ų41.34%0.03721%0.208CC..Hα-helixtrans-64.1-41.3179.2-162.413446.400112.4G722 G723 E724 V728 A729 I730 A746 I758G722-Q726 PolarHBondContact O-N 2.88Å; G723-Q726 WeakPolarHBondContact O-CB 3.2Å; G723-Q726 PolarHBondContact O-N 3.28Å; E724-Q726 VanDerWaalsContact C-N 3.26Å; E724-Q726 PolarHBondContact O-N 3.45Å; Q726-V728 VanDerWaalsContact C-N 3.31Å; Q726-V728 PolarHBondContact O-N 2.59Å; Q726-A729 WeakPolarHBondContact O-CA 3.43Å; Q726-A729 WeakPolarHBondContact O-CB 3.31Å; Q726-A729 PolarHBondContact O-N 2.88Å; Q726-A729 VanDerWaalsContact O-N 3.07Å; Q726-I730 WeakPolarHBondContact O-CG1 3.43Å; Q726-I730 PolarHBondContact O-N 2.96Å; Q726-A746 PolarHBondContact NE2-O 3.14Å; Q726-A746 PolarHBondContact OE1-O 3.4Å; Q726-A746 VanDerWaalsContact OE1-O 3.09Å; Q726-I758 HydrophobicContact CB-CD1 4.19Å; Q726-I758 HydrophobicContact CG-CD1 4.4Å
727R90Very high88.1Confident30 Ų3035.3 Ų35.311%0.11320%0.197CC..Hα-helixtrans-63.1-36.1173.6-69.1178-169.3-142.7-9.4112.3D697 I698 G723 E724 A729 I730 A731 I758D697-R727 PolarHBondContact O-NH1 3.46Å; D697-R727 IonicContact OD2-CZ 3.1Å; D697-R727 IonicContact OD2-NH1 3.99Å; D697-R727 PolarHBondContact OD2-NH1 3.49Å; D697-R727 IonicContact OD2-NH2 2.65Å; I698-R727 HydrophobicContact CB-CB 3.94Å; I698-R727 HydrophobicContact CD1-CB 3.76Å; I698-R727 HydrophobicContact CG1-CB 4.37Å; I698-R727 HydrophobicContact CG2-CB 4.47Å; G723-R727 WeakPolarHBondContact O-CG 3.26Å; G723-R727 PolarHBondContact O-N 2.73Å; E724-R727 PolarHBondContact O-N 2.93Å; R727-A729 VanDerWaalsContact C-N 3.33Å; R727-A729 PolarHBondContact O-N 3.47Å; R727-I730 PolarHBondContact O-N 2.68Å; R727-A731 WeakPolarHBondContact O-CB 3.19Å; R727-A731 PolarHBondContact O-N 3Å; R727-I758 HydrophobicContact CG-CD1 4.04Å; R727-I758 HydrophobicContact CG-CG1 3.92Å
728V92.6Very high89.2Confident2 Ų234.1 Ų34.11%0.01218%0.184CC..Hα-helixtrans-61.1-41.1170.6176.90000111.1L668 N676 I677 I698 L720 E724 K725 Q726 I730 A731 R732L668-V728 HydrophobicContact CD2-CB 4.21Å; L668-V728 HydrophobicContact CD2-CG1 3.77Å; N676-V728 HydrophobicContact CB-CG1 4.41Å; I677-V728 HydrophobicContact CG1-CG1 4.05Å; I698-V728 HydrophobicContact CD1-CG2 3.59Å; L720-V728 HydrophobicContact CD1-CG2 3.96Å; E724-V728 WeakPolarHBondContact O-CG2 3.48Å; E724-V728 PolarHBondContact O-N 2.94Å; K725-V728 WeakPolarHBondContact O-CB 3.44Å; K725-V728 PolarHBondContact O-N 3.38Å; Q726-V728 VanDerWaalsContact C-N 3.31Å; Q726-V728 PolarHBondContact O-N 2.59Å; V728-I730 VanDerWaalsContact C-N 3.35Å; V728-I730 PolarHBondContact O-N 2.96Å; V728-A731 PolarHBondContact O-N 3.48Å; V728-R732 WeakPolarHBondContact O-CG 3.29Å; V728-R732 PolarHBondContact O-N 3.45Å
729A91.6Very high89.9Confident3 Ų334 Ų343%0.02518%0.182CC..Hα-helixtrans-64.8-36.7174.200000113.5V662 T666 K725 Q726 R727 R732 T733V662-A729 HydrophobicContact CG1-CB 4.37Å; T666-A729 HydrophobicContact CG2-CB 3.71Å; T666-A729 VanDerWaalsContact OG1-CB 3.29Å; T666-A729 WeakPolarHBondContact OG1-CB 2.97Å; K725-A729 PolarHBondContact O-N 3.4Å; K725-A729 VanDerWaalsContact O-N 3.07Å; Q726-A729 WeakPolarHBondContact O-CA 3.43Å; Q726-A729 WeakPolarHBondContact O-CB 3.31Å; Q726-A729 PolarHBondContact O-N 2.88Å; Q726-A729 VanDerWaalsContact O-N 3.07Å; R727-A729 VanDerWaalsContact C-N 3.33Å; R727-A729 PolarHBondContact O-N 3.47Å; A729-R732 WeakPolarHBondContact O-CB 3.38Å; A729-R732 PolarHBondContact O-N 3.37Å; A729-T733 PolarHBondContact O-N 3.46Å; A729-T733 VanDerWaalsContact O-N 3.07Å; A729-T733 PolarHBondContact O-OG1 3.22Å
730I91.4Very high90.6Very high1 Ų125.9 Ų25.91%0.00515%0.147CC..Hα-helixtrans-65.2-46174.3-65.7166.6000109.7V662 A696 Q726 R727 V728 R732 T733 I734 I758 L762 V765V662-I730 HydrophobicContact CG1-CG1 4.27Å; V662-I730 HydrophobicContact CG2-CG1 4.49Å; A696-I730 HydrophobicContact CB-CB 4.33Å; A696-I730 HydrophobicContact CB-CG2 4.06Å; Q726-I730 WeakPolarHBondContact O-CG1 3.43Å; Q726-I730 PolarHBondContact O-N 2.96Å; R727-I730 PolarHBondContact O-N 2.68Å; V728-I730 VanDerWaalsContact C-N 3.35Å; V728-I730 PolarHBondContact O-N 2.96Å; I730-R732 VanDerWaalsContact C-N 3.34Å; I730-R732 PolarHBondContact O-N 3.3Å; I730-T733 CarbonylContact O-C 3.5Å; I730-T733 WeakPolarHBondContact O-CA 3.5Å; I730-T733 WeakPolarHBondContact O-CB 3.11Å; I730-T733 PolarHBondContact O-N 3.43Å; I730-I734 HydrophobicContact CG2-CD1 3.87Å; I730-I734 HydrophobicContact CG2-CG1 4.34Å; I730-I734 WeakPolarHBondContact O-CG1 3.42Å; I730-I734 PolarHBondContact O-N 2.77Å; I730-I758 HydrophobicContact CD1-CG2 3.81Å; I730-L762 HydrophobicContact CD1-CD2 3.9Å; I730-L762 HydrophobicContact CD1-CG 3.91Å; I730-L762 HydrophobicContact CG1-CD2 3.86Å; I730-L762 HydrophobicContact CG1-CG 4.43Å; I730-V765 HydrophobicContact CG2-CG2 3.97Å
731A93.9Very high91Very high0 Ų025.5 Ų25.50%015%0.145CC..Hα-helixtrans-57.3-44.4175.100000111.9I677 A696 R727 V728 T733 I734 L735I677-A731 HydrophobicContact CD1-CB 4.36Å; I677-A731 HydrophobicContact CG1-CB 4.23Å; I677-A731 HydrophobicContact CG2-CB 3.94Å; A696-A731 HydrophobicContact CB-CB 3.7Å; R727-A731 WeakPolarHBondContact O-CB 3.19Å; R727-A731 PolarHBondContact O-N 3Å; V728-A731 PolarHBondContact O-N 3.48Å; A731-T733 VanDerWaalsContact C-N 3.27Å; A731-T733 PolarHBondContact O-N 2.89Å; A731-I734 PolarHBondContact O-N 3.3Å; A731-L735 WeakPolarHBondContact O-CB 3.36Å; A731-L735 PolarHBondContact O-N 3.06Å
732R94.6Very high91.4Very high35 Ų3522.7 Ų22.713%0.13213%0.125CC..Hα-helixtrans-56-42.2173.1-72.2171.1178.6167-1.9111.8V667 N676 G680 V728 A729 I730 K736V667-R732 PolarHBondContact O-NH1 3.45Å; N676-R732 WeakPolarHBondContact O-CG 3.3Å; N676-R732 PolarHBondContact O-NE 3.01Å; N676-R732 PolarHBondContact O-NH2 3.42Å; N676-R732 PolarHBondContact OD1-NH2 3.03Å; G680-R732 WeakPolarHBondContact CA-O 3.43Å; V728-R732 WeakPolarHBondContact O-CG 3.29Å; V728-R732 PolarHBondContact O-N 3.45Å; A729-R732 WeakPolarHBondContact O-CB 3.38Å; A729-R732 PolarHBondContact O-N 3.37Å; I730-R732 VanDerWaalsContact C-N 3.34Å; I730-R732 PolarHBondContact O-N 3.3Å; R732-K736 WeakPolarHBondContact O-CB 3.47Å; R732-K736 PolarHBondContact O-N 3.37Å
733T92.5Very high91.8Very high7 Ų721.3 Ų21.34%0.04311%0.107CC..Hα-helixtrans-72-38.7-178.7-55.90000111.8V662 A729 I730 A731 K736 A737 P738 V765V662-T733 HydrophobicContact CG2-CG2 4.24Å; V662-T733 WeakPolarHBondContact CG2-OG1 3.25Å; A729-T733 PolarHBondContact O-N 3.46Å; A729-T733 VanDerWaalsContact O-N 3.07Å; A729-T733 PolarHBondContact O-OG1 3.22Å; I730-T733 CarbonylContact O-C 3.5Å; I730-T733 WeakPolarHBondContact O-CA 3.5Å; I730-T733 WeakPolarHBondContact O-CB 3.11Å; I730-T733 PolarHBondContact O-N 3.43Å; A731-T733 VanDerWaalsContact C-N 3.27Å; A731-T733 PolarHBondContact O-N 2.89Å; T733-K736 PolarHBondContact O-N 3.5Å; T733-A737 PolarHBondContact O-N 3.42Å; T733-P738 HydrophobicContact CG2-CG 4.13Å; T733-P738 WeakPolarHBondContact O-CD 3.33Å; T733-V765 HydrophobicContact CG2-CG1 4.44Å
734I92.5Very high92.2Very high36 Ų3622 Ų2219%0.18511%0.11CC..Hα-helixtrans-61.4-49.9173.6-68.6170000110A692 A695 A696 I730 A731 K736 A737 V765A692-I734 HydrophobicContact CB-CB 4.47Å; A692-I734 HydrophobicContact CB-CG2 4.14Å; A695-I734 HydrophobicContact CB-CD1 3.78Å; A695-I734 HydrophobicContact CB-CG2 4.21Å; A696-I734 HydrophobicContact CB-CD1 4.08Å; I730-I734 HydrophobicContact CG2-CD1 3.87Å; I730-I734 HydrophobicContact CG2-CG1 4.34Å; I730-I734 WeakPolarHBondContact O-CG1 3.42Å; I730-I734 PolarHBondContact O-N 2.77Å; A731-I734 PolarHBondContact O-N 3.3Å; I734-K736 VanDerWaalsContact C-N 3.28Å; I734-K736 PolarHBondContact O-N 2.91Å; I734-A737 WeakPolarHBondContact O-CA 3.16Å; I734-A737 PolarHBondContact O-N 2.91Å; I734-V765 HydrophobicContact CD1-CG2 3.56Å; I734-V765 HydrophobicContact CG1-CB 4.37Å; I734-V765 HydrophobicContact CG1-CG1 4.06Å; I734-V765 HydrophobicContact CG1-CG2 3.35Å
735L94.3Very high91.9Very high9 Ų921.5 Ų21.55%0.04711%0.108CC..Hα-helixtrans-62.5-35.6-179.1-169.768000112.4I677 R681 A684 E688 V689 A692 A731 A737I677-L735 HydrophobicContact CG2-CD2 4.36Å; I677-L735 WeakPolarHBondContact O-CD2 3.41Å; R681-L735 HydrophobicContact CB-CD2 4.48Å; R681-L735 HydrophobicContact CB-CG 4.22Å; A684-L735 HydrophobicContact CB-CD1 3.82Å; A684-L735 HydrophobicContact CB-CD2 3.9Å; A684-L735 HydrophobicContact CB-CG 4.09Å; E688-L735 HydrophobicContact CB-CD1 3.88Å; E688-L735 WeakPolarHBondContact O-CD1 3.27Å; V689-L735 HydrophobicContact CG2-CD2 4.05Å; A692-L735 HydrophobicContact CB-CB 3.95Å; A692-L735 HydrophobicContact CB-CD1 4.09Å; A731-L735 WeakPolarHBondContact O-CB 3.36Å; A731-L735 PolarHBondContact O-N 3.06Å; L735-A737 PolarHBondContact O-N 3.07Å
736K93.6Very high91.1Very high66 Ų6618.3 Ų18.329%0.28710%0.095SC..Hα-helixtrans-66.2-27.5174.2-173.7175.6-179.2-176.40112.7R656 I659 R732 T733 I734R656-K736 PolarHBondContact O-NZ 3.47Å; I659-K736 WeakPolarHBondContact O-CE 3.33Å; I659-K736 PolarHBondContact O-NZ 3.14Å; R732-K736 WeakPolarHBondContact O-CB 3.47Å; R732-K736 PolarHBondContact O-N 3.37Å; T733-K736 PolarHBondContact O-N 3.5Å; I734-K736 VanDerWaalsContact C-N 3.28Å; I734-K736 PolarHBondContact O-N 2.91Å
737A91.1Very high90.5Very high52 Ų5218.3 Ų18.343%0.4310%0.096SC..  trans47.754.2-17800000114.9T733 I734 L735T733-A737 PolarHBondContact O-N 3.42Å; I734-A737 WeakPolarHBondContact O-CA 3.16Å; I734-A737 PolarHBondContact O-N 2.91Å; L735-A737 PolarHBondContact O-N 3.07Å
738P92.5Very high89.4Confident1 Ų118.7 Ų18.71%0.00610%0.103CC..  trans-73154.9-179.235.3-39.7000112.2T733 I741 R769T733-P738 HydrophobicContact CG2-CG 4.13Å; T733-P738 WeakPolarHBondContact O-CD 3.33Å; P738-I741 HydrophobicContact CG-CG1 4.02Å; P738-R769 WeakPolarHBondContact O-CD 3.49Å; P738-R769 PolarHBondContact O-NE 3.48Å
739Q92.4Very high87.9Confident69 Ų6922.3 Ų22.332%0.32213%0.133SC..SBendtrans-86.4-25.4173-55.299.8-21.500113.5F578 H658 T770F578-Q739 HydrophobicContact CD1-CB 4.48Å; F578-Q739 HydrophobicContact CD1-CG 4.11Å; F578-Q739 HydrophobicContact CD2-CB 4.39Å; F578-Q739 HydrophobicContact CE1-CB 3.72Å; F578-Q739 HydrophobicContact CE1-CG 3.66Å; F578-Q739 HydrophobicContact CE2-CB 3.6Å; F578-Q739 HydrophobicContact CE2-CG 4.23Å; F578-Q739 HydrophobicContact CZ-CB 3.22Å; F578-Q739 HydrophobicContact CZ-CG 3.74Å; H658-Q739 VanDerWaalsContact CB-OE1 3.24Å; H658-Q739 PolarHBondContact CD2-NE2 2.94Å; H658-Q739 PolarHBondContact CD2-OE1 3.1Å; H658-Q739 PolarHBondContact O-N 3.24Å; H658-Q739 VanDerWaalsContact O-N 3.14Å; Q739-T770 PolarHBondContact O-N 3.45Å
740I94.7Very high86.8Confident0 Ų022.7 Ų22.70%014%0.135CC..EExtended strand (participates in β ladder)trans-113.1127.8175.2-57.8172.6000108.5F578 V583 I642 H658 I659 G660 L742 T770F578-I740 HydrophobicContact CE2-CD1 4.29Å; F578-I740 HydrophobicContact CE2-CG1 4.16Å; V583-I740 HydrophobicContact CG2-CD1 4.05Å; I642-I740 HydrophobicContact CD1-CD1 4Å; I642-I740 HydrophobicContact CG2-CD1 4.06Å; H658-I740 PolarHBondContact O-N 3.29Å; I659-I740 CarbonylContact C-O 3.55Å; I659-I740 WeakPolarHBondContact CA-O 3.22Å; I659-I740 HydrophobicContact CG1-CB 4.25Å; I659-I740 HydrophobicContact CG1-CD1 4.44Å; G660-I740 PolarHBondContact N-O 3.49Å; I740-L742 HydrophobicContact CG2-CD2 4.09Å; I740-T770 WeakPolarHBondContact CA-O 3.2Å
741I94.8Very high85.9Confident0 Ų027 Ų270%016%0.158CC..EExtended strand (participates in β ladder)trans-115.6129-179.4-64.6164.8000109.9P738 L743 V765 R769 T770 T771 V772P738-I741 HydrophobicContact CG-CG1 4.02Å; I741-L743 HydrophobicContact CG2-CD2 3.63Å; I741-L743 HydrophobicContact CG2-CG 4.03Å; I741-V765 HydrophobicContact CD1-CG1 3.85Å; I741-V765 WeakPolarHBondContact CD1-O 3.33Å; I741-R769 HydrophobicContact CD1-CB 3.98Å; I741-R769 HydrophobicContact CD1-CG 4.35Å; I741-T770 PolarHBondContact N-O 3.16Å; I741-T771 HydrophobicContact CB-CG2 4.37Å; I741-T771 HydrophobicContact CG2-CG2 4.4Å; I741-T771 WeakPolarHBondContact O-CA 3.48Å; I741-V772 PolarHBondContact O-N 2.89Å
742L94.4Very high84.9Confident0 Ų030.7 Ų30.70%018%0.18CC..EExtended strand (participates in β ladder)trans-112.2120.6173.7-47.4-176.9000108.7I626 L629 I659 G660 V661 V662 I740 V772I626-L742 HydrophobicContact CG2-CB 4.27Å; I626-L742 HydrophobicContact CG2-CD1 3.94Å; L629-L742 HydrophobicContact CB-CD1 4.46Å; L629-L742 HydrophobicContact CD2-CD1 4.18Å; L629-L742 HydrophobicContact CD2-CD2 3.53Å; L629-L742 HydrophobicContact CG-CD1 4.36Å; L629-L742 HydrophobicContact CG-CD2 4.49Å; I659-L742 HydrophobicContact CG2-CD1 3.61Å; I659-L742 HydrophobicContact CG2-CG 3.75Å; G660-L742 PolarHBondContact O-N 3.49Å; V661-L742 CarbonylContact C-O 3.58Å; V661-L742 WeakPolarHBondContact CA-O 3.38Å; V661-L742 HydrophobicContact CG1-CB 4.46Å; V661-L742 HydrophobicContact CG2-CB 4.2Å; V661-L742 HydrophobicContact CG2-CD1 4.13Å; V661-L742 HydrophobicContact CG2-CG 4.43Å; V662-L742 PolarHBondContact N-O 3.37Å; I740-L742 HydrophobicContact CG2-CD2 4.09Å; L742-V772 WeakPolarHBondContact CA-O 3.43Å; L742-V772 HydrophobicContact CD2-CB 3.79Å; L742-V772 HydrophobicContact CD2-CG2 4.09Å
743L92Very high83.8Confident12 Ų1234.3 Ų34.36%0.06320%0.199CC..EExtended strand (participates in β ladder)trans-108.8117.2175.1-54.9-176.5000108.4V662 I741 L762 T771 V772 V773 V774V662-L743 HydrophobicContact CB-CD2 3.72Å; V662-L743 HydrophobicContact CG2-CD2 3.61Å; I741-L743 HydrophobicContact CG2-CD2 3.63Å; I741-L743 HydrophobicContact CG2-CG 4.03Å; L743-L762 HydrophobicContact CD1-CD1 4.41Å; L743-L762 HydrophobicContact CD1-CD2 4.1Å; L743-L762 HydrophobicContact CD2-CD2 3.7Å; L743-T771 HydrophobicContact CD1-CG2 4.48Å; L743-V772 PolarHBondContact N-O 3.24Å; L743-V773 HydrophobicContact CB-CB 4.45Å; L743-V773 HydrophobicContact CB-CG1 4.16Å; L743-V773 HydrophobicContact CB-CG2 4.27Å; L743-V773 HydrophobicContact CD1-CG1 4.49Å; L743-V773 HydrophobicContact CD1-CG2 3.89Å; L743-V773 HydrophobicContact CG-CG2 4.29Å; L743-V774 PolarHBondContact O-N 2.88Å
744D90.1Very high82.8Confident21 Ų2135.7 Ų35.711%0.11221%0.207CC..EExtended strand (participates in β ladder)trans-108.497.3178.8-162.618.6000109.3S623 I626 V662 P663 Q664 A746S623-D744 PolarHBondContact OG-OD1 3.34Å; I626-D744 HydrophobicContact CD1-CB 3.76Å; V662-D744 PolarHBondContact O-N 2.99Å; P663-D744 CarbonylContact C-O 3.54Å; Q664-D744 WeakPolarHBondContact CA-O 3.17Å; Q664-D744 WeakPolarHBondContact CB-O 3.29Å; Q664-D744 PolarHBondContact N-O 3.1Å; D744-A746 VanDerWaalsContact C-N 3.27Å; D744-A746 PolarHBondContact O-N 3.32Å; D744-A746 VanDerWaalsContact O-N 3.14Å
745E83.2Confident82Confident25 Ų2534.8 Ų34.812%0.11720%0.202CC..SBendtrans5041.4177.5-59.6-169.5179.900114.8Q664 T747 S748 V774 H776Q664-E745 HydrophobicContact CB-CB 4.27Å; Q664-E745 HydrophobicContact CG-CB 4.14Å; Q664-E745 PolarHBondContact NE2-OE2 3.46Å; E745-T747 PolarHBondContact O-N 2.88Å; E745-S748 PolarHBondContact O-N 2.63Å; E745-S748 PolarHBondContact O-OG 2.95Å; E745-V774 WeakPolarHBondContact CA-O 3.26Å; E745-V774 HydrophobicContact CG-CG1 4.14Å; E745-V774 PolarHBondContact N-O 3.35Å; E745-H776 HydrophobicContact CG-CB 4.33Å
746A72.4Confident81.2Confident8 Ų842.3 Ų42.37%0.06623%0.23CC..THydrogen-bonded Turntrans-67.710-169.300000116.5V662 Q726 D744 L762V662-A746 HydrophobicContact CG1-CB 3.91Å; Q726-A746 PolarHBondContact NE2-O 3.14Å; Q726-A746 PolarHBondContact OE1-O 3.4Å; Q726-A746 VanDerWaalsContact OE1-O 3.09Å; D744-A746 VanDerWaalsContact C-N 3.27Å; D744-A746 PolarHBondContact O-N 3.32Å; D744-A746 VanDerWaalsContact O-N 3.14Å; A746-L762 HydrophobicContact CB-CD1 4Å
747T75.9Confident80.4Confident8 Ų842.2 Ų42.25%0.04923%0.232CC..THydrogen-bonded Turntrans-137.74.3176.568.80000114.5E745 A749 L750 E755 I758 Q759 T780E745-T747 PolarHBondContact O-N 2.88Å; T747-A749 VanDerWaalsContact C-N 3.3Å; T747-A749 PolarHBondContact O-N 3.45Å; T747-L750 PolarHBondContact O-N 3.39Å; T747-E755 WeakPolarHBondContact CB-OE1 3.36Å; T747-E755 HydrophobicContact CG2-CG 4.07Å; T747-E755 PolarHBondContact OG1-OE1 3.5Å; T747-I758 HydrophobicContact CG2-CG2 4.2Å; T747-Q759 HydrophobicContact CG2-CG 4.29Å; T747-T780 HydrophobicContact CG2-CG2 4.42Å; T747-T780 WeakPolarHBondContact OG1-CG2 3.3Å
748S66.5Low80Confident38 Ų3839.7 Ų39.727%0.26621%0.212SC..THydrogen-bonded Turntrans-66.1-27.9-167.455.70000114.4E745 R777E745-S748 PolarHBondContact O-N 2.63Å; E745-S748 PolarHBondContact O-OG 2.95Å; S748-R777 PolarHBondContact O-NH2 3.48Å
749A60.4Low79.4Confident77 Ų7742.7 Ų42.764%0.63623%0.226SC*.THydrogen-bonded Turntrans-98.914.6-175.100000114.9T747T747-A749 VanDerWaalsContact C-N 3.3Å; T747-A749 PolarHBondContact O-N 3.45Å
750L69.1Low78.9Confident12 Ų1242 Ų426%0.06323%0.231CC..SBendtrans-113.6149.5-168.7-55.8176.1000113.5G723 T747 T754 E755 I758 R777G723-L750 VanDerWaalsContact N-CD2 3.26Å; T747-L750 PolarHBondContact O-N 3.39Å; L750-T754 HydrophobicContact CD1-CG2 4.49Å; L750-T754 HydrophobicContact CD2-CG2 4.31Å; L750-E755 HydrophobicContact CB-CB 4.41Å; L750-I758 HydrophobicContact CD1-CB 4.38Å; L750-I758 HydrophobicContact CD1-CD1 3.35Å; L750-I758 HydrophobicContact CD1-CG1 4.4Å; L750-I758 HydrophobicContact CD1-CG2 4.44Å; L750-I758 HydrophobicContact CD2-CD1 4.5Å; L750-R777 PolarHBondContact O-NH1 3.17Å; L750-R777 VanDerWaalsContact O-NH1 3.14Å; L750-R777 PolarHBondContact O-NH2 2.91Å
751D72.8Confident78.2Confident92 Ų9242.1 Ų42.149%0.49223%0.233SC..  trans-65.7155.216567.2-82.5000111.1Q753 T754 E755D751-Q753 VanDerWaalsContact C-N 3.28Å; D751-Q753 PolarHBondContact O-N 3.13Å; D751-Q753 PolarHBondContact OD2-N 3.33Å; D751-T754 PolarHBondContact O-N 3.12Å; D751-T754 WeakPolarHBondContact OD1-CB 3.44Å; D751-T754 PolarHBondContact OD1-OG1 3.38Å; D751-T754 WeakPolarHBondContact OD2-CB 3.3Å; D751-T754 PolarHBondContact OD2-N 3.03Å; D751-T754 PolarHBondContact OD2-OG1 2.87Å; D751-E755 WeakPolarHBondContact O-CB 3.35Å; D751-E755 PolarHBondContact O-N 3.03Å
752T72.3Confident77.6Confident76 Ų7642.7 Ų42.747%0.46624%0.236SC..Hα-helixtrans-60.4-32.3-170.9-44.40000113.7R756T752-R756 PolarHBondContact O-N 3.04Å
753Q71.3Confident77.1Confident112 Ų11245.5 Ų45.552%0.52326%0.259SS..Hα-helixtrans-77.1-45.1179.8-172.861.44000111D751 E755 R756 N757D751-Q753 VanDerWaalsContact C-N 3.28Å; D751-Q753 PolarHBondContact O-N 3.13Å; D751-Q753 PolarHBondContact OD2-N 3.33Å; Q753-E755 VanDerWaalsContact C-N 3.28Å; Q753-E755 PolarHBondContact O-N 3.28Å; Q753-R756 PolarHBondContact O-N 3.43Å; Q753-N757 PolarHBondContact O-N 3.18Å
754T72.8Confident76.5Confident35 Ų3552.3 Ų52.322%0.21529%0.288CS..Hα-helixtrans-63.7-35.3175.8-55.60000111.6L750 D751 N757 I758L750-T754 HydrophobicContact CD1-CG2 4.49Å; L750-T754 HydrophobicContact CD2-CG2 4.31Å; D751-T754 PolarHBondContact O-N 3.12Å; D751-T754 WeakPolarHBondContact OD1-CB 3.44Å; D751-T754 PolarHBondContact OD1-OG1 3.38Å; D751-T754 WeakPolarHBondContact OD2-CB 3.3Å; D751-T754 PolarHBondContact OD2-N 3.03Å; D751-T754 PolarHBondContact OD2-OG1 2.87Å; T754-N757 PolarHBondContact O-N 2.81Å; T754-I758 HydrophobicContact CG2-CD1 4Å; T754-I758 PolarHBondContact O-N 2.99Å
755E76.1Confident76.2Confident17 Ų1751.7 Ų51.78%0.07929%0.285CS..Hα-helixtrans-59.2-49.8174.9174.1168.9-141.600112.4T747 L750 D751 Q753 N757 I758 Q759 R777 T780T747-E755 WeakPolarHBondContact CB-OE1 3.36Å; T747-E755 HydrophobicContact CG2-CG 4.07Å; T747-E755 PolarHBondContact OG1-OE1 3.5Å; L750-E755 HydrophobicContact CB-CB 4.41Å; D751-E755 WeakPolarHBondContact O-CB 3.35Å; D751-E755 PolarHBondContact O-N 3.03Å; Q753-E755 VanDerWaalsContact C-N 3.28Å; Q753-E755 PolarHBondContact O-N 3.28Å; E755-N757 VanDerWaalsContact C-N 3.29Å; E755-N757 PolarHBondContact O-N 2.83Å; E755-I758 PolarHBondContact O-N 2.93Å; E755-Q759 HydrophobicContact CG-CG 4.18Å; E755-Q759 WeakPolarHBondContact O-CB 3.49Å; E755-Q759 VanDerWaalsContact O-CG 3.23Å; E755-Q759 WeakPolarHBondContact O-CG 3.48Å; E755-Q759 PolarHBondContact O-N 3.33Å; E755-R777 WeakPolarHBondContact OE1-CD 3.43Å; E755-R777 IonicContact OE1-NE 3.53Å; E755-R777 IonicContact OE1-NH1 3.59Å; E755-R777 IonicContact OE2-CZ 2.72Å; E755-R777 IonicContact OE2-NH1 3.84Å; E755-R777 PolarHBondContact OE2-NH1 2.76Å; E755-T780 WeakPolarHBondContact OE1-CG2 3.25Å
756R77.7Confident76.3Confident168 Ų16851.3 Ų51.363%0.63429%0.285SS*.Hα-helixtrans-59.2-40.8179.7-74.3179.7-179.3169.70.7112.2T752 Q753 Q759 A760T752-R756 PolarHBondContact O-N 3.04Å; Q753-R756 PolarHBondContact O-N 3.43Å; R756-Q759 WeakPolarHBondContact O-CB 3.43Å; R756-Q759 PolarHBondContact O-N 3.23Å; R756-A760 PolarHBondContact O-N 2.97Å
757N76.6Confident76.9Confident63 Ų6355 Ų5534%0.33731%0.307SS..Hα-helixtrans-67.8-39.3179-66.6-8.2000111.7Q753 T754 E755 A760 S761Q753-N757 PolarHBondContact O-N 3.18Å; T754-N757 PolarHBondContact O-N 2.81Å; E755-N757 VanDerWaalsContact C-N 3.29Å; E755-N757 PolarHBondContact O-N 2.83Å; N757-A760 PolarHBondContact O-N 3.06Å; N757-S761 PolarHBondContact O-N 3Å; N757-S761 VanDerWaalsContact O-N 3.16Å; N757-S761 PolarHBondContact O-OG 3.41Å; N757-S761 VanDerWaalsContact O-OG 3.11Å
758I81.3Confident77.3Confident0 Ų062 Ų620%034%0.344CS..Hα-helixtrans-69.4-39.9176-79.8171.4000111.5Q726 R727 I730 T747 L750 T754 E755 A760 S761 L762Q726-I758 HydrophobicContact CB-CD1 4.19Å; Q726-I758 HydrophobicContact CG-CD1 4.4Å; R727-I758 HydrophobicContact CG-CD1 4.04Å; R727-I758 HydrophobicContact CG-CG1 3.92Å; I730-I758 HydrophobicContact CD1-CG2 3.81Å; T747-I758 HydrophobicContact CG2-CG2 4.2Å; L750-I758 HydrophobicContact CD1-CB 4.38Å; L750-I758 HydrophobicContact CD1-CD1 3.35Å; L750-I758 HydrophobicContact CD1-CG1 4.4Å; L750-I758 HydrophobicContact CD1-CG2 4.44Å; L750-I758 HydrophobicContact CD2-CD1 4.5Å; T754-I758 HydrophobicContact CG2-CD1 4Å; T754-I758 PolarHBondContact O-N 2.99Å; E755-I758 PolarHBondContact O-N 2.93Å; I758-A760 VanDerWaalsContact C-N 3.33Å; I758-A760 PolarHBondContact O-N 3.39Å; I758-S761 PolarHBondContact O-N 2.95Å; I758-L762 HydrophobicContact CG2-CD1 3.82Å; I758-L762 HydrophobicContact CG2-CG 4.29Å; I758-L762 WeakPolarHBondContact O-CB 3.48Å; I758-L762 WeakPolarHBondContact O-CG 3.4Å; I758-L762 PolarHBondContact O-N 3Å
759Q81Confident78.5Confident63 Ų6363.3 Ų63.329%0.29434%0.343SS..Hα-helixtrans-56.2-46.3172.4-74.5-115.4-61.800111.9T747 E755 R756 S761 L762 A763 T780T747-Q759 HydrophobicContact CG2-CG 4.29Å; E755-Q759 HydrophobicContact CG-CG 4.18Å; E755-Q759 WeakPolarHBondContact O-CB 3.49Å; E755-Q759 VanDerWaalsContact O-CG 3.23Å; E755-Q759 WeakPolarHBondContact O-CG 3.48Å; E755-Q759 PolarHBondContact O-N 3.33Å; R756-Q759 WeakPolarHBondContact O-CB 3.43Å; R756-Q759 PolarHBondContact O-N 3.23Å; Q759-S761 VanDerWaalsContact C-N 3.3Å; Q759-S761 PolarHBondContact O-N 3.29Å; Q759-L762 PolarHBondContact O-N 3.48Å; Q759-A763 WeakPolarHBondContact O-CB 3.35Å; Q759-A763 PolarHBondContact O-N 3.02Å; Q759-T780 VanDerWaalsContact NE2-CA 3.27Å; Q759-T780 VanDerWaalsContact NE2-CG2 3.3Å
760A80.9Confident80.1Confident54 Ų5459.8 Ų59.845%0.44631%0.313SS..Hα-helixtrans-61.4-39.8177.700000112R756 N757 I758 K764R756-A760 PolarHBondContact O-N 2.97Å; N757-A760 PolarHBondContact O-N 3.06Å; I758-A760 VanDerWaalsContact C-N 3.33Å; I758-A760 PolarHBondContact O-N 3.39Å; A760-K764 WeakPolarHBondContact O-CG 3.37Å; A760-K764 PolarHBondContact O-N 3.37Å
761S80.7Confident81.3Confident4 Ų459.2 Ų59.23%0.02831%0.311CS..Hα-helixtrans-66.2-47.9175.5-580000111.1N757 I758 Q759 A763 K764 V765N757-S761 PolarHBondContact O-N 3Å; N757-S761 VanDerWaalsContact O-N 3.16Å; N757-S761 PolarHBondContact O-OG 3.41Å; N757-S761 VanDerWaalsContact O-OG 3.11Å; I758-S761 PolarHBondContact O-N 2.95Å; Q759-S761 VanDerWaalsContact C-N 3.3Å; Q759-S761 PolarHBondContact O-N 3.29Å; S761-A763 VanDerWaalsContact C-N 3.34Å; S761-A763 PolarHBondContact O-N 2.78Å; S761-K764 WeakPolarHBondContact O-CB 3.5Å; S761-K764 PolarHBondContact O-N 2.87Å; S761-V765 WeakPolarHBondContact O-CG2 3.3Å; S761-V765 PolarHBondContact O-N 3.02Å; S761-V765 VanDerWaalsContact O-N 3.15Å
762L82.8Confident82.4Confident12 Ų1255 Ų556%0.06329%0.288CS..Hα-helixtrans-59.1-41.7177.2-75.5170.4000112.6V662 I730 L743 A746 I758 Q759 K764 V765 C766V662-L762 HydrophobicContact CG2-CD2 4.36Å; I730-L762 HydrophobicContact CD1-CD2 3.9Å; I730-L762 HydrophobicContact CD1-CG 3.91Å; I730-L762 HydrophobicContact CG1-CD2 3.86Å; I730-L762 HydrophobicContact CG1-CG 4.43Å; L743-L762 HydrophobicContact CD1-CD1 4.41Å; L743-L762 HydrophobicContact CD1-CD2 4.1Å; L743-L762 HydrophobicContact CD2-CD2 3.7Å; A746-L762 HydrophobicContact CB-CD1 4Å; I758-L762 HydrophobicContact CG2-CD1 3.82Å; I758-L762 HydrophobicContact CG2-CG 4.29Å; I758-L762 WeakPolarHBondContact O-CB 3.48Å; I758-L762 WeakPolarHBondContact O-CG 3.4Å; I758-L762 PolarHBondContact O-N 3Å; Q759-L762 PolarHBondContact O-N 3.48Å; L762-K764 VanDerWaalsContact C-N 3.31Å; L762-K764 PolarHBondContact O-N 3.16Å; L762-V765 PolarHBondContact O-N 3.3Å; L762-V765 VanDerWaalsContact O-N 3.09Å; L762-C766 PolarHBondContact O-N 3.39Å; L762-C766 PolarHBondContact O-SG 2.81Å
763A82.9Confident83.4Confident59 Ų5952.2 Ų52.249%0.48827%0.271SS..Hα-helixtrans-59.2-41.5177.100000112Q759 S761 V765 C766 T767Q759-A763 WeakPolarHBondContact O-CB 3.35Å; Q759-A763 PolarHBondContact O-N 3.02Å; S761-A763 VanDerWaalsContact C-N 3.34Å; S761-A763 PolarHBondContact O-N 2.78Å; A763-V765 PolarHBondContact O-N 3.11Å; A763-C766 PolarHBondContact O-N 3.32Å; A763-T767 PolarHBondContact O-N 3.46Å; A763-T767 PolarHBondContact O-OG1 3.36Å
764K80.4Confident84.4Confident154 Ų15446.9 Ų46.967%0.6725%0.246SC*.Hα-helixtrans-61.3-43.4173.4-67174-177.2176.70111.5A760 S761 L762 C766 T767A760-K764 WeakPolarHBondContact O-CG 3.37Å; A760-K764 PolarHBondContact O-N 3.37Å; S761-K764 WeakPolarHBondContact O-CB 3.5Å; S761-K764 PolarHBondContact O-N 2.87Å; L762-K764 VanDerWaalsContact C-N 3.31Å; L762-K764 PolarHBondContact O-N 3.16Å; K764-C766 VanDerWaalsContact C-N 3.3Å; K764-C766 PolarHBondContact O-N 3.04Å; K764-T767 PolarHBondContact O-N 3.36Å; K764-T767 PolarHBondContact O-OG1 2.99Å
765V82.4Confident85Confident8 Ų845.5 Ų45.55%0.04824%0.238CC..Hα-helixtrans-65.8-33.6179.1-171.10000112I730 T733 I734 I741 S761 L762 A763 R769I730-V765 HydrophobicContact CG2-CG2 3.97Å; T733-V765 HydrophobicContact CG2-CG1 4.44Å; I734-V765 HydrophobicContact CD1-CG2 3.56Å; I734-V765 HydrophobicContact CG1-CB 4.37Å; I734-V765 HydrophobicContact CG1-CG1 4.06Å; I734-V765 HydrophobicContact CG1-CG2 3.35Å; I741-V765 HydrophobicContact CD1-CG1 3.85Å; I741-V765 WeakPolarHBondContact CD1-O 3.33Å; S761-V765 WeakPolarHBondContact O-CG2 3.3Å; S761-V765 PolarHBondContact O-N 3.02Å; S761-V765 VanDerWaalsContact O-N 3.15Å; L762-V765 PolarHBondContact O-N 3.3Å; L762-V765 VanDerWaalsContact O-N 3.09Å; A763-V765 PolarHBondContact O-N 3.11Å; V765-R769 VanDerWaalsContact O-CD 3.3Å; V765-R769 WeakPolarHBondContact O-CD 3.45Å; V765-R769 PolarHBondContact O-NH1 3.38Å
766C86Confident85.2Confident17 Ų1749.2 Ų49.212%0.11526%0.256CS..Hα-helixtrans-84.8-10.6-176.5-60.30000114.1L762 A763 K764 N768 R769 T771L762-C766 PolarHBondContact O-N 3.39Å; L762-C766 PolarHBondContact O-SG 2.81Å; A763-C766 PolarHBondContact O-N 3.32Å; K764-C766 VanDerWaalsContact C-N 3.3Å; K764-C766 PolarHBondContact O-N 3.04Å; C766-N768 PolarHBondContact O-N 2.9Å; C766-R769 PolarHBondContact O-N 3.33Å; C766-R769 VanDerWaalsContact O-N 3.16Å; C766-T771 HydrophobicContact CB-CG2 4.14Å
767T85.1Confident85.3Confident86 Ų8644.3 Ų44.353%0.52824%0.237SC..THydrogen-bonded Turntrans-59.9130.3-177.3-57.70000111.1A763 K764 R769A763-T767 PolarHBondContact O-N 3.46Å; A763-T767 PolarHBondContact O-OG1 3.36Å; K764-T767 PolarHBondContact O-N 3.36Å; K764-T767 PolarHBondContact O-OG1 2.99Å; T767-R769 PolarHBondContact O-N 3Å
768N85Confident85.7Confident155 Ų15541.6 Ų41.683%0.82922%0.222SC*.THydrogen-bonded Turntrans57.126-177.5-64.1-26.1000115.1C766C766-N768 PolarHBondContact O-N 2.9Å
769R90.9Very high85.6Confident65 Ų6544.2 Ų44.225%0.24524%0.241CC..SBendtrans-128.3145.1179.1-67.2176.2-174.8168.1-7.3110.9P738 I741 V765 C766 T767 T771P738-R769 WeakPolarHBondContact O-CD 3.49Å; P738-R769 PolarHBondContact O-NE 3.48Å; I741-R769 HydrophobicContact CD1-CB 3.98Å; I741-R769 HydrophobicContact CD1-CG 4.35Å; V765-R769 VanDerWaalsContact O-CD 3.3Å; V765-R769 WeakPolarHBondContact O-CD 3.45Å; V765-R769 PolarHBondContact O-NH1 3.38Å; C766-R769 PolarHBondContact O-N 3.33Å; C766-R769 VanDerWaalsContact O-N 3.16Å; T767-R769 PolarHBondContact O-N 3Å; R769-T771 PolarHBondContact O-N 3.12Å; R769-T771 PolarHBondContact O-OG1 2.82Å
770T94.8Very high85.6Confident3 Ų342.6 Ų42.62%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-67.7117.6175.3-57.10000108.6G581 V583 V606 G609 Q739 I740 I741G581-T770 WeakPolarHBondContact O-CB 3.33Å; G581-T770 VanDerWaalsContact O-CG2 3.29Å; G581-T770 WeakPolarHBondContact O-CG2 3.16Å; G581-T770 PolarHBondContact O-OG1 3.35Å; V583-T770 HydrophobicContact CG2-CG2 4.31Å; V606-T770 HydrophobicContact CB-CG2 4.21Å; V606-T770 HydrophobicContact CG1-CG2 3.48Å; V606-T770 VanDerWaalsContact CG1-CG2 3.48Å; G609-T770 PolarHBondContact N-OG1 3.4Å; Q739-T770 PolarHBondContact O-N 3.45Å; I740-T770 WeakPolarHBondContact CA-O 3.2Å; I741-T770 PolarHBondContact N-O 3.16Å
771T94.4Very high85.9Confident1 Ų140.2 Ų40.21%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-123.8129.6-169.9-55.80000110.9Q610 T611 V612 I741 L743 C766 R769 V773Q610-T771 PolarHBondContact O-N 2.91Å; T611-T771 WeakPolarHBondContact CA-O 3.18Å; T611-T771 HydrophobicContact CG2-CG2 4.24Å; V612-T771 PolarHBondContact N-O 3.32Å; I741-T771 HydrophobicContact CB-CG2 4.37Å; I741-T771 HydrophobicContact CG2-CG2 4.4Å; I741-T771 WeakPolarHBondContact O-CA 3.48Å; L743-T771 HydrophobicContact CD1-CG2 4.48Å; C766-T771 HydrophobicContact CB-CG2 4.14Å; R769-T771 PolarHBondContact O-N 3.12Å; R769-T771 PolarHBondContact O-OG1 2.82Å; T771-V773 HydrophobicContact CG2-CG2 3.7Å
772V94.8Very high86.3Confident2 Ų243.8 Ų43.81%0.01223%0.233CC..EExtended strand (participates in β ladder)trans-116.5120171.8-176.80000108.6V606 V612 L614 L629 I741 L742 L743V606-V772 HydrophobicContact CG2-CG2 4.16Å; V612-V772 CarbonylContact O-C 3.59Å; V612-V772 WeakPolarHBondContact O-CA 3.46Å; L614-V772 HydrophobicContact CD1-CG1 3.87Å; L614-V772 HydrophobicContact CG-CG1 4.14Å; L629-V772 HydrophobicContact CD2-CG2 4.43Å; I741-V772 PolarHBondContact O-N 2.89Å; L742-V772 WeakPolarHBondContact CA-O 3.43Å; L742-V772 HydrophobicContact CD2-CB 3.79Å; L742-V772 HydrophobicContact CD2-CG2 4.09Å; L743-V772 PolarHBondContact N-O 3.24Å
773V93.3Very high86.3Confident18 Ų1846.8 Ų46.811%0.10927%0.267CS..EExtended strand (participates in β ladder)trans-115.6121.2-175.8-1750000109.5T611 V612 A613 L614 L743 T771 I781T611-V773 HydrophobicContact CG2-CG2 4Å; V612-V773 PolarHBondContact O-N 2.96Å; A613-V773 CarbonylContact C-O 2.95Å; A613-V773 VanDerWaalsContact CA-O 3.26Å; A613-V773 WeakPolarHBondContact CA-O 3.39Å; L614-V773 PolarHBondContact N-O 3.14Å; L743-V773 HydrophobicContact CB-CB 4.45Å; L743-V773 HydrophobicContact CB-CG1 4.16Å; L743-V773 HydrophobicContact CB-CG2 4.27Å; L743-V773 HydrophobicContact CD1-CG1 4.49Å; L743-V773 HydrophobicContact CD1-CG2 3.89Å; L743-V773 HydrophobicContact CG-CG2 4.29Å; T771-V773 HydrophobicContact CG2-CG2 3.7Å; V773-I781 HydrophobicContact CB-CG2 4.39Å; V773-I781 HydrophobicContact CG1-CG2 3.9Å
774V92.3Very high86.7Confident1 Ų144.3 Ų44.31%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-92.6118.2164.8172.40000107.5L614 K622 I626 L743 E745L614-V774 HydrophobicContact CB-CG2 4Å; L614-V774 HydrophobicContact CD1-CG2 3.87Å; L614-V774 HydrophobicContact CG-CG2 4.39Å; K622-V774 HydrophobicContact CB-CG1 3.69Å; K622-V774 HydrophobicContact CB-CG2 4.05Å; K622-V774 HydrophobicContact CD-CG1 4.07Å; K622-V774 HydrophobicContact CG-CG1 4.48Å; I626-V774 HydrophobicContact CD1-CB 4Å; I626-V774 HydrophobicContact CD1-CG2 3.37Å; I626-V774 HydrophobicContact CG1-CG2 3.94Å; L743-V774 PolarHBondContact O-N 2.88Å; E745-V774 WeakPolarHBondContact CA-O 3.26Å; E745-V774 HydrophobicContact CG-CG1 4.14Å; E745-V774 PolarHBondContact N-O 3.35Å
775A84.8Confident87.3Confident6 Ų639.8 Ų39.85%0.0523%0.23CC..  trans-118.1131.7-177.600000111.5L614 V615 T780 I781L614-A775 PolarHBondContact O-N 3.28Å; V615-A775 HydrophobicContact CG1-CB 4.42Å; A775-T780 WeakPolarHBondContact CB-OG1 3.36Å; A775-I781 HydrophobicContact CB-CB 4.38Å; A775-I781 HydrophobicContact CB-CD1 4.18Å; A775-I781 HydrophobicContact CB-CG1 4.17Å; A775-I781 HydrophobicContact CB-CG2 3.37Å
776H80.7Confident87.9Confident95 Ų9540.2 Ų40.244%0.4423%0.231SC..SBendtrans-90.8-39162.3-164.5-81.6000110.7E745 Q818E745-H776 HydrophobicContact CG-CB 4.33Å; H776-Q818 PolarHBondContact O-NE2 3.47Å
777R80.3Confident88.4Confident65 Ų6539.4 Ų39.425%0.24523%0.226CC..SBendtrans-87113.5174.6-67.9-178.4-175.1-170.69.3109.8S748 L750 E755 S779 T780S748-R777 PolarHBondContact O-NH2 3.48Å; L750-R777 PolarHBondContact O-NH1 3.17Å; L750-R777 VanDerWaalsContact O-NH1 3.14Å; L750-R777 PolarHBondContact O-NH2 2.91Å; E755-R777 WeakPolarHBondContact OE1-CD 3.43Å; E755-R777 IonicContact OE1-NE 3.53Å; E755-R777 IonicContact OE1-NH1 3.59Å; E755-R777 IonicContact OE2-CZ 2.72Å; E755-R777 IonicContact OE2-NH1 3.84Å; E755-R777 PolarHBondContact OE2-NH1 2.76Å; R777-S779 PolarHBondContact O-N 3.28Å; R777-T780 HydrophobicContact CB-CG2 3.89Å; R777-T780 WeakPolarHBondContact O-CB 3.35Å; R777-T780 PolarHBondContact O-N 3.43Å; R777-T780 PolarHBondContact O-OG1 3.11Å
778L84.6Confident88.8Confident5 Ų535.4 Ų35.43%0.02620%0.201CC..G310 helixtrans-67-23.9-175.4-63.9159.9000112.5V615 T780 I781 Y811 M814 W815 Q818V615-L778 HydrophobicContact CB-CD2 4.39Å; V615-L778 HydrophobicContact CG1-CD2 3.99Å; L778-T780 PolarHBondContact O-N 3.05Å; L778-I781 HydrophobicContact CD2-CD1 4.12Å; L778-I781 WeakPolarHBondContact O-CG1 3.45Å; L778-I781 PolarHBondContact O-N 3.44Å; L778-Y811 HydrophobicContact CD2-CD2 4.2Å; L778-Y811 HydrophobicContact CD2-CE2 3.61Å; L778-M814 VanDerWaalsContact CD1-C 3.46Å; L778-M814 HydrophobicContact CD1-CB 3.88Å; L778-W815 HydrophobicContact CB-CE3 3.44Å; L778-W815 VanDerWaalsContact CB-CE3 3.44Å; L778-W815 HydrophobicContact CB-CZ3 3.54Å; L778-W815 VanDerWaalsContact CD1-CA 3.45Å; L778-W815 HydrophobicContact CD1-CB 4.09Å; L778-W815 HydrophobicContact CD1-CE3 3.95Å; L778-W815 HydrophobicContact CG-CE3 4.3Å; L778-Q818 HydrophobicContact CD1-CG 4.32Å; L778-Q818 VanDerWaalsContact CG-OE1 3.31Å
779S80.4Confident89.3Confident56 Ų5628 Ų2839%0.39216%0.161SC..G310 helixtrans-56-29.9174.152.40000113.1R777 I781 I782R777-S779 PolarHBondContact O-N 3.28Å; S779-I781 VanDerWaalsContact C-N 3.27Å; S779-I781 PolarHBondContact O-N 3.34Å; S779-I782 WeakPolarHBondContact O-CG1 3.34Å
780T80.5Confident89.4Confident28 Ų2825 Ų2517%0.17215%0.15CC..G310 helixtrans-76.2-13.6-174.565.20000114.4T747 E755 Q759 A775 R777 L778T747-T780 HydrophobicContact CG2-CG2 4.42Å; T747-T780 WeakPolarHBondContact OG1-CG2 3.3Å; E755-T780 WeakPolarHBondContact OE1-CG2 3.25Å; Q759-T780 VanDerWaalsContact NE2-CA 3.27Å; Q759-T780 VanDerWaalsContact NE2-CG2 3.3Å; A775-T780 WeakPolarHBondContact CB-OG1 3.36Å; R777-T780 HydrophobicContact CB-CG2 3.89Å; R777-T780 WeakPolarHBondContact O-CB 3.35Å; R777-T780 PolarHBondContact O-N 3.43Å; R777-T780 PolarHBondContact O-OG1 3.11Å; L778-T780 PolarHBondContact O-N 3.05Å
781I87.6Confident89.3Confident4 Ų426.3 Ų26.32%0.02116%0.159CC..G310 helixtrans-124.510.9-170.954.4159000113A613 V615 V773 A775 L778 S779 G783 A784 I787 Y811A613-I781 HydrophobicContact CB-CB 3.68Å; A613-I781 HydrophobicContact CB-CD1 4.04Å; A613-I781 HydrophobicContact CB-CG1 4.48Å; A613-I781 HydrophobicContact CB-CG2 3.54Å; V615-I781 HydrophobicContact CG1-CD1 3.15Å; V773-I781 HydrophobicContact CB-CG2 4.39Å; V773-I781 HydrophobicContact CG1-CG2 3.9Å; A775-I781 HydrophobicContact CB-CB 4.38Å; A775-I781 HydrophobicContact CB-CD1 4.18Å; A775-I781 HydrophobicContact CB-CG1 4.17Å; A775-I781 HydrophobicContact CB-CG2 3.37Å; L778-I781 HydrophobicContact CD2-CD1 4.12Å; L778-I781 WeakPolarHBondContact O-CG1 3.45Å; L778-I781 PolarHBondContact O-N 3.44Å; S779-I781 VanDerWaalsContact C-N 3.27Å; S779-I781 PolarHBondContact O-N 3.34Å; I781-G783 PolarHBondContact O-N 3.06Å; I781-A784 HydrophobicContact CB-CB 4.39Å; I781-A784 VanDerWaalsContact O-CB 3.27Å; I781-A784 WeakPolarHBondContact O-CB 3.31Å; I781-A784 PolarHBondContact O-N 3.35Å; I781-I787 HydrophobicContact CD1-CD1 4.32Å; I781-I787 HydrophobicContact CD1-CG2 4.31Å; I781-Y811 HydrophobicContact CD1-CE2 4.4Å
782I87.4Confident89Confident79 Ų7933.8 Ų33.841%0.40519%0.194SC..THydrogen-bonded Turntrans-55.6-41174.9-60.5171.1000109.9S779 A784 W815S779-I782 WeakPolarHBondContact O-CG1 3.34Å; I782-A784 VanDerWaalsContact C-N 3.28Å; I782-A784 PolarHBondContact O-N 2.99Å; I782-W815 HydrophobicContact CD1-CH2 3.86Å; I782-W815 HydrophobicContact CD1-CZ3 4.41Å; I782-W815 HydrophobicContact CG1-CH2 4.17Å; I782-W815 HydrophobicContact CG1-CZ3 4.26Å
783G84.9Confident88.7Confident75 Ų7533.7 Ų33.777%0.77319%0.194SC*.THydrogen-bonded Turntrans-81.57.8178.800000115.6I781I781-G783 PolarHBondContact O-N 3.06Å
784A91.1Very high88.7Confident8 Ų840 Ų407%0.06622%0.216CC..  trans-72.2138.6178.600000111.1T611 A613 I781 I782 Q786 I787T611-A784 HydrophobicContact CG2-CB 4.34Å; A613-A784 HydrophobicContact CB-CB 3.75Å; I781-A784 HydrophobicContact CB-CB 4.39Å; I781-A784 VanDerWaalsContact O-CB 3.27Å; I781-A784 WeakPolarHBondContact O-CB 3.31Å; I781-A784 PolarHBondContact O-N 3.35Å; I782-A784 VanDerWaalsContact C-N 3.28Å; I782-A784 PolarHBondContact O-N 2.99Å; A784-Q786 PolarHBondContact O-N 3.45Å; A784-I787 HydrophobicContact CB-CG1 4.23Å
785D92.9Very high88.8Confident59 Ų5942.4 Ų42.432%0.31623%0.228SC..SBendtrans-63.3-30178.7-67.4-63.1000112.6Q610 T611 R800Q610-D785 HydrophobicContact CG-CB 3.51Å; T611-D785 PolarHBondContact N-OD2 3.47Å; T611-D785 PolarHBondContact O-N 2.87Å; D785-R800 VanDerWaalsContact O-CG 3.27Å; D785-R800 WeakPolarHBondContact O-CG 3.43Å; D785-R800 PolarHBondContact O-NE 3.49Å; D785-R800 VanDerWaalsContact O-NE 3.14Å; D785-R800 IonicContact OD1-NH2 2.94Å; D785-R800 PolarHBondContact OD1-NH2 3.39Å
786Q94.4Very high89.2Confident17 Ų1745 Ų458%0.07925%0.25CC..EExtended strand (participates in β ladder)trans-153.2135.2178.2-174.3-171.5-51.600110.4T611 V612 A613 A784 L788 R798T611-Q786 PolarHBondContact O-N 3.18Å; V612-Q786 CarbonylContact C-O 3.59Å; V612-Q786 WeakPolarHBondContact CA-O 3.47Å; V612-Q786 HydrophobicContact CG2-CB 4.29Å; A613-Q786 PolarHBondContact N-O 2.94Å; A784-Q786 PolarHBondContact O-N 3.45Å; Q786-L788 VanDerWaalsContact NE2-CD2 3.35Å; Q786-R798 HydrophobicContact CG-CG 4.13Å; Q786-R798 VanDerWaalsContact NE2-CZ 3.34Å
787I95.7Very high89.8Confident0 Ų042.3 Ų42.30%024%0.237CC..EExtended strand (participates in β ladder)trans-110.4132.4176.2-54.9174.6000108.2A613 V615 I781 A784 R798 G799 H801 L804 Y811A613-I787 HydrophobicContact CB-CG1 4.2Å; A613-I787 HydrophobicContact CB-CG2 4.49Å; A613-I787 CarbonylContact O-C 3.39Å; V615-I787 HydrophobicContact CG1-CG2 4.41Å; V615-I787 HydrophobicContact CG2-CG2 3.68Å; I781-I787 HydrophobicContact CD1-CD1 4.32Å; I781-I787 HydrophobicContact CD1-CG2 4.31Å; A784-I787 HydrophobicContact CB-CG1 4.23Å; I787-R798 WeakPolarHBondContact O-CA 3.31Å; I787-G799 WeakPolarHBondContact CB-O 3.5Å; I787-G799 PolarHBondContact N-O 3.48Å; I787-G799 PolarHBondContact O-N 3.13Å; I787-H801 HydrophobicContact CD1-CB 4.12Å; I787-L804 HydrophobicContact CB-CD1 3.75Å; I787-L804 HydrophobicContact CG2-CD1 3.9Å; I787-Y811 HydrophobicContact CD1-CE2 3.93Å; I787-Y811 HydrophobicContact CG2-CD2 4.18Å; I787-Y811 HydrophobicContact CG2-CE2 3.94Å
788L95.1Very high90.5Very high1 Ų145.4 Ų45.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-113.1115.9174.4-64.7176.4000108.9F604 V612 A613 L614 V615 Q786 I795 R798F604-L788 HydrophobicContact CB-CD1 3.81Å; F604-L788 HydrophobicContact CD1-CD1 4.07Å; F604-L788 HydrophobicContact CD2-CD1 3.59Å; F604-L788 HydrophobicContact CE2-CD1 4.13Å; F604-L788 HydrophobicContact CG-CD1 3.55Å; V612-L788 HydrophobicContact CG1-CD1 3.77Å; V612-L788 HydrophobicContact CG1-CG 4.11Å; A613-L788 PolarHBondContact O-N 2.91Å; L614-L788 WeakPolarHBondContact CA-O 3.46Å; L614-L788 HydrophobicContact CD2-CB 3.87Å; L614-L788 HydrophobicContact CD2-CD1 3.82Å; L614-L788 HydrophobicContact CD2-CG 4.37Å; V615-L788 PolarHBondContact N-O 3.32Å; Q786-L788 VanDerWaalsContact NE2-CD2 3.35Å; L788-I795 HydrophobicContact CD2-CD1 4.43Å; L788-I795 HydrophobicContact CD2-CG2 4.06Å; L788-R798 HydrophobicContact CD2-CB 3.96Å; L788-R798 HydrophobicContact CD2-CG 3.76Å
789V94.4Very high90.9Very high0 Ų045.5 Ų45.50%025%0.251CS..EExtended strand (participates in β ladder)trans-91.6116.5176-172.30000108.5V615 A796 E797 L804 L810 Y811 M814V615-V789 HydrophobicContact CG2-CB 4.17Å; V615-V789 HydrophobicContact CG2-CG1 4.33Å; V615-V789 HydrophobicContact CG2-CG2 3.71Å; V615-V789 CarbonylContact O-C 3.59Å; V615-V789 WeakPolarHBondContact O-CA 3.37Å; V789-A796 PolarHBondContact O-N 2.91Å; V789-E797 HydrophobicContact CB-CB 3.9Å; V789-E797 HydrophobicContact CG2-CB 3.81Å; V789-E797 PolarHBondContact N-O 2.9Å; V789-E797 PolarHBondContact O-N 3.01Å; V789-L804 HydrophobicContact CG2-CD1 4.22Å; V789-L810 HydrophobicContact CG1-CB 4.29Å; V789-L810 HydrophobicContact CG1-CD2 3.5Å; V789-L810 HydrophobicContact CG1-CG 4.43Å; V789-Y811 HydrophobicContact CG2-CD2 4.16Å; V789-M814 HydrophobicContact CG1-CE 3.83Å
790I93.6Very high91.6Very high1 Ų149 Ų491%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-102.9123.9-178.5-51.4-179.7000109L614 V615 G616 S620 K622 I625 R794L614-I790 HydrophobicContact CB-CD1 4.37Å; L614-I790 HydrophobicContact CD2-CD1 4.27Å; V615-I790 PolarHBondContact O-N 2.95Å; G616-I790 WeakPolarHBondContact CA-O 3.45Å; S620-I790 VanDerWaalsContact CB-O 3.23Å; S620-I790 WeakPolarHBondContact CB-O 3.42Å; S620-I790 VanDerWaalsContact O-CG2 3.23Å; S620-I790 WeakPolarHBondContact O-CG2 3.42Å; K622-I790 HydrophobicContact CG-CD1 4.31Å; I625-I790 HydrophobicContact CD1-CD1 3.33Å; I790-R794 CarbonylContact C-O 3.59Å; I790-R794 VanDerWaalsContact CA-O 3.3Å; I790-R794 WeakPolarHBondContact CA-O 3.4Å; I790-R794 WeakPolarHBondContact CG2-O 3.44Å
791S92Very high92.2Very high31 Ų3148.5 Ų48.522%0.21725%0.252CS..EExtended strand (participates in β ladder)trans-133.3136.1174.2-166.80000109.6G793 R794S791-G793 PolarHBondContact O-N 2.96Å; S791-R794 PolarHBondContact N-O 3.03Å; S791-R794 PolarHBondContact O-N 3.33Å; S791-R794 VanDerWaalsContact O-O 3.1Å
792E88.8Confident92.4Very high158 Ų15854.1 Ų54.174%0.73828%0.281SS*.THydrogen-bonded Turntrans49.233.8179-56.9-173.4172.600114.7R794E792-R794 VanDerWaalsContact C-N 3.34Å
793G88.6Confident92.7Very high1 Ų154.9 Ų54.91%0.0128%0.283CS..THydrogen-bonded Turntrans78.910.2179.700000115.5I598 R600 V602 S791I598-G793 WeakPolarHBondContact O-CA 3.29Å; R600-G793 PolarHBondContact N-O 3.22Å; V602-G793 WeakPolarHBondContact CG2-O 3.22Å; S791-G793 PolarHBondContact O-N 2.96Å
794R93.3Very high93Very high150 Ų15051.3 Ų51.357%0.56625%0.246SC*.EExtended strand (participates in β ladder)trans-122.4157.5176.9-64.4-175.8176174.41.6111R600 I790 S791 E792 A796R600-R794 HydrophobicContact CB-CG 3.98Å; R600-R794 WeakPolarHBondContact O-CG 3.45Å; I790-R794 CarbonylContact C-O 3.59Å; I790-R794 VanDerWaalsContact CA-O 3.3Å; I790-R794 WeakPolarHBondContact CA-O 3.4Å; I790-R794 WeakPolarHBondContact CG2-O 3.44Å; S791-R794 PolarHBondContact N-O 3.03Å; S791-R794 PolarHBondContact O-N 3.33Å; S791-R794 VanDerWaalsContact O-O 3.1Å; E792-R794 VanDerWaalsContact C-N 3.34Å; R794-A796 PolarHBondContact O-N 3.36Å
795I94.3Very high93Very high52 Ų5254.2 Ų54.227%0.26726%0.261SS..EExtended strand (participates in β ladder)trans-78.5111.9170.1-58.1174.6000107.8V602 S603 F604 L788V602-I795 HydrophobicContact CG1-CD1 4.09Å; V602-I795 HydrophobicContact CG1-CG1 4.18Å; S603-I795 WeakPolarHBondContact O-CD1 3.49Å; F604-I795 HydrophobicContact CB-CD1 4.01Å; F604-I795 HydrophobicContact CD1-CD1 3.96Å; F604-I795 HydrophobicContact CG-CD1 4.38Å; L788-I795 HydrophobicContact CD2-CD1 4.43Å; L788-I795 HydrophobicContact CD2-CG2 4.06Å
796A93Very high92.9Very high61 Ų6156.3 Ų56.350%0.50428%0.28SS..EExtended strand (participates in β ladder)trans-85.7-43.117900000111.7V789 R794V789-A796 PolarHBondContact O-N 2.91Å; R794-A796 PolarHBondContact O-N 3.36Å
797E93.6Very high92.7Very high38 Ų3861.9 Ų61.918%0.17830%0.304CS..EExtended strand (participates in β ladder)trans-139.2151.7-177.7-55.8173.4178.400111.3V789 L804 G809 L810 Y811V789-E797 HydrophobicContact CB-CB 3.9Å; V789-E797 HydrophobicContact CG2-CB 3.81Å; V789-E797 PolarHBondContact N-O 2.9Å; V789-E797 PolarHBondContact O-N 3.01Å; E797-L804 HydrophobicContact CB-CD2 3.78Å; E797-G809 VanDerWaalsContact OE1-CA 3.24Å; E797-G809 WeakPolarHBondContact OE1-CA 3.32Å; E797-L810 PolarHBondContact OE1-N 3.24Å; E797-Y811 WeakPolarHBondContact OE2-CB 3.04Å; E797-Y811 PolarHBondContact OE2-N 3.45Å
798R94.6Very high92.3Very high130 Ų13064.4 Ų64.449%0.49133%0.329SS..EExtended strand (participates in β ladder)trans-142.8133.6177.4177.6177.7179.9175.48.6109.4Q786 I787 L788Q786-R798 HydrophobicContact CG-CG 4.13Å; Q786-R798 VanDerWaalsContact NE2-CZ 3.34Å; I787-R798 WeakPolarHBondContact O-CA 3.31Å; L788-R798 HydrophobicContact CD2-CB 3.96Å; L788-R798 HydrophobicContact CD2-CG 3.76Å
799G93.4Very high92.1Very high7 Ų765.2 Ų65.27%0.07234%0.338CS..EExtended strand (participates in β ladder)trans165.9-176.5176.300000112.3I787 E803I787-G799 WeakPolarHBondContact CB-O 3.5Å; I787-G799 PolarHBondContact N-O 3.48Å; I787-G799 PolarHBondContact O-N 3.13Å; G799-E803 VanDerWaalsContact CA-OE2 3.31Å; G799-E803 WeakPolarHBondContact CA-OE2 3.36Å
800R94.3Very high91.8Very high128 Ų12868 Ų6848%0.48335%0.353SS..  trans-82.1168.5168-75.1-177.4160.3-159.2-7.6111.6D785 D802 E803 L804D785-R800 VanDerWaalsContact O-CG 3.27Å; D785-R800 WeakPolarHBondContact O-CG 3.43Å; D785-R800 PolarHBondContact O-NE 3.49Å; D785-R800 VanDerWaalsContact O-NE 3.14Å; D785-R800 IonicContact OD1-NH2 2.94Å; D785-R800 PolarHBondContact OD1-NH2 3.39Å; R800-D802 PolarHBondContact O-N 3.43Å; R800-E803 HydrophobicContact CB-CG 4.2Å; R800-E803 PolarHBondContact N-OE2 3.32Å; R800-E803 PolarHBondContact O-N 2.81Å; R800-L804 WeakPolarHBondContact O-CB 3.42Å; R800-L804 WeakPolarHBondContact O-CG 3.2Å; R800-L804 PolarHBondContact O-N 3.27Å
801H92.6Very high91.8Very high19 Ų1968 Ų689%0.08835%0.352CS..Hα-helixtrans-50.7-56178.9175.972.2000112.2I787 E803 L804 L805 Y811 W815I787-H801 HydrophobicContact CD1-CB 4.12Å; H801-E803 VanDerWaalsContact C-N 3.32Å; H801-E803 PolarHBondContact O-N 3.5Å; H801-L804 PolarHBondContact O-N 3.09Å; H801-L805 WeakPolarHBondContact O-CB 3.46Å; H801-L805 PolarHBondContact O-N 2.82Å; H801-Y811 AromaticContact ND1-CE1 3.56Å; H801-Y811 AromaticContact ND1-CZ 3.61Å; H801-Y811 PolarHBondContact ND1-OH 3.05Å; H801-W815 AromaticContact CE1-CE3 3.93Å; H801-W815 AromaticContact CE1-CZ3 3.89Å
802D92.6Very high91.7Very high121 Ų12166.8 Ų66.865%0.64735%0.345SS*.Hα-helixtrans-63.1-39.1-177.1-53.1-45.2000112R800 S806R800-D802 PolarHBondContact O-N 3.43Å; D802-S806 WeakPolarHBondContact O-CB 3.31Å; D802-S806 PolarHBondContact O-N 2.91Å; D802-S806 PolarHBondContact O-OG 3.3Å
803E92.6Very high91.7Very high95 Ų9563.3 Ų63.344%0.44433%0.331SS..Hα-helixtrans-64.8-46.3178.4-63.7174.7176.700111.5G799 R800 H801 S806 K807G799-E803 VanDerWaalsContact CA-OE2 3.31Å; G799-E803 WeakPolarHBondContact CA-OE2 3.36Å; R800-E803 HydrophobicContact CB-CG 4.2Å; R800-E803 PolarHBondContact N-OE2 3.32Å; R800-E803 PolarHBondContact O-N 2.81Å; H801-E803 VanDerWaalsContact C-N 3.32Å; H801-E803 PolarHBondContact O-N 3.5Å; E803-S806 PolarHBondContact O-N 3.49Å; E803-S806 PolarHBondContact O-OG 3.24Å; E803-K807 WeakPolarHBondContact O-CG 3.24Å; E803-K807 PolarHBondContact O-N 3.4Å; E803-K807 VanDerWaalsContact O-N 3.16Å
804L91.8Very high91.7Very high0 Ų065 Ų650%034%0.34CS..Hα-helixtrans-70-34.6-179.4-70.8176.7000112.1I787 V789 E797 R800 H801 K807 Y811I787-L804 HydrophobicContact CB-CD1 3.75Å; I787-L804 HydrophobicContact CG2-CD1 3.9Å; V789-L804 HydrophobicContact CG2-CD1 4.22Å; E797-L804 HydrophobicContact CB-CD2 3.78Å; R800-L804 WeakPolarHBondContact O-CB 3.42Å; R800-L804 WeakPolarHBondContact O-CG 3.2Å; R800-L804 PolarHBondContact O-N 3.27Å; H801-L804 PolarHBondContact O-N 3.09Å; L804-K807 PolarHBondContact O-N 3.36Å; L804-Y811 HydrophobicContact CB-CD1 3.51Å; L804-Y811 HydrophobicContact CB-CE1 4.21Å; L804-Y811 HydrophobicContact CB-CG 3.75Å; L804-Y811 HydrophobicContact CD1-CD1 4.37Å; L804-Y811 HydrophobicContact CD1-CD2 4.05Å; L804-Y811 HydrophobicContact CD1-CG 3.95Å; L804-Y811 HydrophobicContact CG-CG 4.47Å
805L91.3Very high91.5Very high70 Ų7059.8 Ų59.837%0.36632%0.32SS..Hα-helixtrans-66-43174.6-160.474.2000111.1H801 K807 G808 A812 W815H801-L805 WeakPolarHBondContact O-CB 3.46Å; H801-L805 PolarHBondContact O-N 2.82Å; L805-K807 VanDerWaalsContact C-N 3.27Å; L805-K807 PolarHBondContact O-N 3.47Å; L805-G808 PolarHBondContact O-N 2.93Å; L805-A812 HydrophobicContact CD1-CB 4.22Å; L805-W815 HydrophobicContact CD1-CB 4.21Å; L805-W815 HydrophobicContact CD1-CG 3.98Å
806S90.6Very high91.2Very high102 Ų10261.5 Ų61.571%0.71333%0.329SS*.Hα-helixtrans-64.8-28.8177.574.20000113.7D802 E803 G808D802-S806 WeakPolarHBondContact O-CB 3.31Å; D802-S806 PolarHBondContact O-N 2.91Å; D802-S806 PolarHBondContact O-OG 3.3Å; E803-S806 PolarHBondContact O-N 3.49Å; E803-S806 PolarHBondContact O-OG 3.24Å; S806-G808 VanDerWaalsContact C-N 3.27Å; S806-G808 PolarHBondContact O-N 3.22Å
807K89.9Confident90.7Very high135 Ų13565.4 Ų65.459%0.58734%0.335SS*.THydrogen-bonded Turntrans-72.2-18.4176.8-76.7175.5-177.3176.70113.3E803 L804 L805 G809E803-K807 WeakPolarHBondContact O-CG 3.24Å; E803-K807 PolarHBondContact O-N 3.4Å; E803-K807 VanDerWaalsContact O-N 3.16Å; L804-K807 PolarHBondContact O-N 3.36Å; L805-K807 VanDerWaalsContact C-N 3.27Å; L805-K807 PolarHBondContact O-N 3.47Å; K807-G809 PolarHBondContact O-N 3.44Å
808G86.9Confident90.2Very high52 Ų5266.5 Ų66.554%0.53634%0.34SS..THydrogen-bonded Turntrans61.228.718000000114.1L805 S806L805-G808 PolarHBondContact O-N 2.93Å; S806-G808 VanDerWaalsContact C-N 3.27Å; S806-G808 PolarHBondContact O-N 3.22Å
809G91.3Very high89.5Confident18 Ų1864.7 Ų64.719%0.18634%0.337CS..SBendtrans-89.2-158.9-178.100000114.2E797 K807 Y811 A812 D813E797-G809 VanDerWaalsContact OE1-CA 3.24Å; E797-G809 WeakPolarHBondContact OE1-CA 3.32Å; K807-G809 PolarHBondContact O-N 3.44Å; G809-Y811 PolarHBondContact O-N 2.89Å; G809-A812 PolarHBondContact O-N 2.96Å; G809-D813 PolarHBondContact O-N 3.37Å; G809-D813 VanDerWaalsContact O-N 3.11Å
810L89.4Confident88.7Confident59 Ų5970 Ų7031%0.30936%0.36SS..Hα-helixtrans-56.6-35.3-179.8-159.791.6000112V789 E797 M814V789-L810 HydrophobicContact CG1-CB 4.29Å; V789-L810 HydrophobicContact CG1-CD2 3.5Å; V789-L810 HydrophobicContact CG1-CG 4.43Å; E797-L810 PolarHBondContact OE1-N 3.24Å; L810-M814 HydrophobicContact CD2-CE 4.32Å; L810-M814 WeakPolarHBondContact O-CG 3.29Å; L810-M814 PolarHBondContact O-N 3.35Å; L810-M814 VanDerWaalsContact O-N 3.11Å
811Y92.4Very high87.4Confident0 Ų066.4 Ų66.40%036%0.357CS..Hα-helixtrans-61.7-47.5174.5-175.7-97.8000112.7V615 L778 I781 I787 V789 E797 H801 L804 G809 D813 M814 W815V615-Y811 HydrophobicContact CG2-CD2 4.13Å; V615-Y811 HydrophobicContact CG2-CE2 4.43Å; L778-Y811 HydrophobicContact CD2-CD2 4.2Å; L778-Y811 HydrophobicContact CD2-CE2 3.61Å; I781-Y811 HydrophobicContact CD1-CE2 4.4Å; I787-Y811 HydrophobicContact CD1-CE2 3.93Å; I787-Y811 HydrophobicContact CG2-CD2 4.18Å; I787-Y811 HydrophobicContact CG2-CE2 3.94Å; V789-Y811 HydrophobicContact CG2-CD2 4.16Å; E797-Y811 WeakPolarHBondContact OE2-CB 3.04Å; E797-Y811 PolarHBondContact OE2-N 3.45Å; H801-Y811 AromaticContact ND1-CE1 3.56Å; H801-Y811 AromaticContact ND1-CZ 3.61Å; H801-Y811 PolarHBondContact ND1-OH 3.05Å; L804-Y811 HydrophobicContact CB-CD1 3.51Å; L804-Y811 HydrophobicContact CB-CE1 4.21Å; L804-Y811 HydrophobicContact CB-CG 3.75Å; L804-Y811 HydrophobicContact CD1-CD1 4.37Å; L804-Y811 HydrophobicContact CD1-CD2 4.05Å; L804-Y811 HydrophobicContact CD1-CG 3.95Å; L804-Y811 HydrophobicContact CG-CG 4.47Å; G809-Y811 PolarHBondContact O-N 2.89Å; Y811-D813 VanDerWaalsContact C-N 3.33Å; Y811-D813 PolarHBondContact O-N 3.34Å; Y811-M814 PolarHBondContact O-N 3.48Å; Y811-W815 PolarHBondContact O-N 3.42Å
812A90.6Very high86.1Confident7 Ų770.9 Ų70.96%0.05838%0.378CS..Hα-helixtrans-64.6-39.3-17900000111.3L805 G809 W815 L816L805-A812 HydrophobicContact CD1-CB 4.22Å; G809-A812 PolarHBondContact O-N 2.96Å; A812-W815 WeakPolarHBondContact O-CB 3.5Å; A812-W815 PolarHBondContact O-N 2.71Å; A812-L816 PolarHBondContact O-N 2.96Å
813D89.2Confident84.6Confident85 Ų8569.9 Ų69.946%0.45537%0.372SS..Hα-helixtrans-61.1-44.2174.4-74.8-13.5000112.4G809 Y811 W815 K817G809-D813 PolarHBondContact O-N 3.37Å; G809-D813 VanDerWaalsContact O-N 3.11Å; Y811-D813 VanDerWaalsContact C-N 3.33Å; Y811-D813 PolarHBondContact O-N 3.34Å; D813-W815 VanDerWaalsContact C-N 3.31Å; D813-K817 VanDerWaalsContact O-CG 3.32Å; D813-K817 WeakPolarHBondContact O-CG 3.28Å; D813-K817 PolarHBondContact O-N 3.19Å; D813-K817 VanDerWaalsContact O-N 3.13Å
814M88.3Confident83Confident37 Ų3770.9 Ų70.918%0.18238%0.38CS..Hα-helixtrans-65-37.7176-70-174-67.300111.4V615 L778 V789 L810 Y811 Q818V615-M814 HydrophobicContact CG2-CE 4.19Å; L778-M814 VanDerWaalsContact CD1-C 3.46Å; L778-M814 HydrophobicContact CD1-CB 3.88Å; V789-M814 HydrophobicContact CG1-CE 3.83Å; L810-M814 HydrophobicContact CD2-CE 4.32Å; L810-M814 WeakPolarHBondContact O-CG 3.29Å; L810-M814 PolarHBondContact O-N 3.35Å; L810-M814 VanDerWaalsContact O-N 3.11Å; Y811-M814 PolarHBondContact O-N 3.48Å; M814-Q818 PolarHBondContact O-N 3.22Å; M814-Q818 VanDerWaalsContact O-N 3.11Å
815W88.8Confident81.3Confident40 Ų4076.3 Ų76.315%0.15241%0.409CS..Hα-helixtrans-63.2-50.1177.6-177-95.1000112.2L778 I782 H801 L805 Y811 A812 D813 K817 Q818 Q819L778-W815 HydrophobicContact CB-CE3 3.44Å; L778-W815 VanDerWaalsContact CB-CE3 3.44Å; L778-W815 HydrophobicContact CB-CZ3 3.54Å; L778-W815 VanDerWaalsContact CD1-CA 3.45Å; L778-W815 HydrophobicContact CD1-CB 4.09Å; L778-W815 HydrophobicContact CD1-CE3 3.95Å; L778-W815 HydrophobicContact CG-CE3 4.3Å; I782-W815 HydrophobicContact CD1-CH2 3.86Å; I782-W815 HydrophobicContact CD1-CZ3 4.41Å; I782-W815 HydrophobicContact CG1-CH2 4.17Å; I782-W815 HydrophobicContact CG1-CZ3 4.26Å; H801-W815 AromaticContact CE1-CE3 3.93Å; H801-W815 AromaticContact CE1-CZ3 3.89Å; L805-W815 HydrophobicContact CD1-CB 4.21Å; L805-W815 HydrophobicContact CD1-CG 3.98Å; Y811-W815 PolarHBondContact O-N 3.42Å; A812-W815 WeakPolarHBondContact O-CB 3.5Å; A812-W815 PolarHBondContact O-N 2.71Å; D813-W815 VanDerWaalsContact C-N 3.31Å; W815-K817 VanDerWaalsContact C-N 3.33Å; W815-K817 PolarHBondContact O-N 2.98Å; W815-Q818 PolarHBondContact O-N 2.99Å; W815-Q818 VanDerWaalsContact O-N 3.15Å; W815-Q819 PolarHBondContact O-N 3.27Å
816L87Confident79.7Confident87 Ų8775.5 Ų75.546%0.45541%0.41SS..Hα-helixtrans-58.2-44.1176.9-82.7156000112A812 Q818 Q819 Q820A812-L816 PolarHBondContact O-N 2.96Å; L816-Q818 VanDerWaalsContact C-N 3.31Å; L816-Q818 PolarHBondContact O-N 2.96Å; L816-Q819 PolarHBondContact O-N 3.41Å; L816-Q820 WeakPolarHBondContact O-CG 3.38Å; L816-Q820 PolarHBondContact O-N 3.02Å
817K84.6Confident77.8Confident144 Ų14473.5 Ų73.563%0.62640%0.396SS*.Hα-helixtrans-61.1-38.8177-75.5173.3-178.5172.80112.5D813 W815 A821D813-K817 VanDerWaalsContact O-CG 3.32Å; D813-K817 WeakPolarHBondContact O-CG 3.28Å; D813-K817 PolarHBondContact O-N 3.19Å; D813-K817 VanDerWaalsContact O-N 3.13Å; W815-K817 VanDerWaalsContact C-N 3.33Å; W815-K817 PolarHBondContact O-N 2.98Å; K817-A821 WeakPolarHBondContact O-CB 3.19Å; K817-A821 PolarHBondContact O-N 3.35Å; K817-A821 VanDerWaalsContact O-N 3.13Å
818Q81.5Confident75.9Confident60 Ų6070 Ų7028%0.2839%0.388SS..Hα-helixtrans-72.3-36.7177.2-76.3-169.5-5.800113.1H776 L778 M814 W815 L816 A821 H822H776-Q818 PolarHBondContact O-NE2 3.47Å; L778-Q818 HydrophobicContact CD1-CG 4.32Å; L778-Q818 VanDerWaalsContact CG-OE1 3.31Å; M814-Q818 PolarHBondContact O-N 3.22Å; M814-Q818 VanDerWaalsContact O-N 3.11Å; W815-Q818 PolarHBondContact O-N 2.99Å; W815-Q818 VanDerWaalsContact O-N 3.15Å; L816-Q818 VanDerWaalsContact C-N 3.31Å; L816-Q818 PolarHBondContact O-N 2.96Å; Q818-A821 PolarHBondContact O-N 3.05Å; Q818-H822 WeakPolarHBondContact O-CB 3.25Å; Q818-H822 PolarHBondContact O-N 2.81Å
819Q80.3Confident74.2Confident92 Ų9273 Ų7343%0.4339%0.392SS..Hα-helixtrans-61.6-48.2172.4-88.3-177.3-30.600111.5W815 L816 A821 H822 D823W815-Q819 PolarHBondContact O-N 3.27Å; L816-Q819 PolarHBondContact O-N 3.41Å; Q819-A821 VanDerWaalsContact C-N 3.32Å; Q819-A821 PolarHBondContact O-N 2.95Å; Q819-H822 PolarHBondContact O-N 3.37Å; Q819-H822 VanDerWaalsContact O-N 3.15Å; Q819-D823 VanDerWaalsContact O-CG 3.31Å; Q819-D823 PolarHBondContact O-N 3.33Å
820Q76.4Confident72.3Confident120 Ų12075.9 Ų75.956%0.56141%0.406SS*.Hα-helixtrans-60.2-41.1178.7-72174.6-5.800112.5L816 D823 L824L816-Q820 WeakPolarHBondContact O-CG 3.38Å; L816-Q820 PolarHBondContact O-N 3.02Å; Q820-D823 PolarHBondContact O-N 3.43Å; Q820-L824 WeakPolarHBondContact O-CB 3.37Å; Q820-L824 WeakPolarHBondContact O-CD1 3.39Å; Q820-L824 VanDerWaalsContact O-CG 3.3Å; Q820-L824 WeakPolarHBondContact O-CG 3.33Å; Q820-L824 PolarHBondContact O-N 3.03Å; Q820-L824 VanDerWaalsContact O-N 3.08Å
821A67.3Low70.4Confident51 Ų5180 Ų8042%0.42142%0.424SS..Hα-helixtrans-64.4-41.7175.900000112.1K817 Q818 Q819 L824 D825K817-A821 WeakPolarHBondContact O-CB 3.19Å; K817-A821 PolarHBondContact O-N 3.35Å; K817-A821 VanDerWaalsContact O-N 3.13Å; Q818-A821 PolarHBondContact O-N 3.05Å; Q819-A821 VanDerWaalsContact C-N 3.32Å; Q819-A821 PolarHBondContact O-N 2.95Å; A821-L824 PolarHBondContact O-N 3.48Å; A821-D825 PolarHBondContact O-N 3.07Å; A821-D825 VanDerWaalsContact O-N 3.07Å
822H65Low68.3Low113 Ų11382.6 Ų82.652%0.52345%0.445SS..Hα-helixtrans-67.2-37.6177.7-171.9-77.4000112.4Q818 Q819 D825 S826Q818-H822 WeakPolarHBondContact O-CB 3.25Å; Q818-H822 PolarHBondContact O-N 2.81Å; Q819-H822 PolarHBondContact O-N 3.37Å; Q819-H822 VanDerWaalsContact O-N 3.15Å; H822-D825 PolarHBondContact O-N 3.23Å; H822-S826 WeakPolarHBondContact O-CB 3.45Å; H822-S826 PolarHBondContact O-N 3.15Å; H822-S826 PolarHBondContact O-OG 3.42Å
823D61.3Low66.3Low100 Ų10089.3 Ų89.354%0.53547%0.473SS..Hα-helixtrans-68.8-36.1177.5-68.7-19.1000111.8Q819 Q820 S826 S827Q819-D823 VanDerWaalsContact O-CG 3.31Å; Q819-D823 PolarHBondContact O-N 3.33Å; Q820-D823 PolarHBondContact O-N 3.43Å; D823-S826 WeakPolarHBondContact CA-OG 3.44Å; D823-S826 PolarHBondContact O-OG 2.85Å; D823-S827 PolarHBondContact O-N 3.46Å; D823-S827 PolarHBondContact O-OG 3.44Å
824L58.7Low64.5Low117 Ų11790.2 Ų90.261%0.61348%0.478SS*.Hα-helixtrans-67-43.1173.6-75.5161.3000112.7Q820 A821 S827 S828Q820-L824 WeakPolarHBondContact O-CB 3.37Å; Q820-L824 WeakPolarHBondContact O-CD1 3.39Å; Q820-L824 VanDerWaalsContact O-CG 3.3Å; Q820-L824 WeakPolarHBondContact O-CG 3.33Å; Q820-L824 PolarHBondContact O-N 3.03Å; Q820-L824 VanDerWaalsContact O-N 3.08Å; A821-L824 PolarHBondContact O-N 3.48Å; L824-S827 PolarHBondContact O-N 3.39Å; L824-S827 PolarHBondContact O-OG 2.91Å; L824-S828 PolarHBondContact O-N 2.64Å
825D57.1Low62.6Low114 Ų11497.7 Ų97.761%0.6150%0.504SS*.Hα-helixtrans-65-41.5176-81.9-15.7000110.8A821 H822 S827 S828 D829A821-D825 PolarHBondContact O-N 3.07Å; A821-D825 VanDerWaalsContact O-N 3.07Å; H822-D825 PolarHBondContact O-N 3.23Å; D825-S827 PolarHBondContact O-N 3.46Å; D825-S828 PolarHBondContact O-N 3.02Å; D825-S828 PolarHBondContact O-OG 2.94Å; D825-D829 PolarHBondContact O-N 3.24Å
826S56.5Low60.6Low53 Ų53103.4 Ų103.437%0.37153%0.53SS..Hα-helixtrans-68.2-32179.573.60000114.3H822 D823 T830H822-S826 WeakPolarHBondContact O-CB 3.45Å; H822-S826 PolarHBondContact O-N 3.15Å; H822-S826 PolarHBondContact O-OG 3.42Å; D823-S826 WeakPolarHBondContact CA-OG 3.44Å; D823-S826 PolarHBondContact O-OG 2.85Å; S826-T830 PolarHBondContact O-N 3.43Å; S826-T830 PolarHBondContact O-OG1 2.83Å
827S51.9Low58.7Low60 Ų60103 Ų10342%0.4253%0.534SS..Hα-helixtrans-73.8-35.2176.559.90000112.1D823 L824 D825 T830 E831D823-S827 PolarHBondContact O-N 3.46Å; D823-S827 PolarHBondContact O-OG 3.44Å; L824-S827 PolarHBondContact O-N 3.39Å; L824-S827 PolarHBondContact O-OG 2.91Å; D825-S827 PolarHBondContact O-N 3.46Å; S827-T830 PolarHBondContact O-N 2.84Å; S827-E831 PolarHBondContact O-N 2.69Å
828S50.5Low56.8Low62 Ų62103.7 Ų103.743%0.43454%0.539SS..Hα-helixtrans-66.3-37.2175.876.30000113.7L824 D825 T830 A832L824-S828 PolarHBondContact O-N 2.64Å; D825-S828 PolarHBondContact O-N 3.02Å; D825-S828 PolarHBondContact O-OG 2.94Å; S828-T830 VanDerWaalsContact C-N 3.29Å; S828-T830 PolarHBondContact O-N 2.92Å; S828-A832 WeakPolarHBondContact O-CB 3.44Å; S828-A832 PolarHBondContact O-N 3.36Å; S828-A832 VanDerWaalsContact O-N 3.11Å
829D50.3Low55.2Low113 Ų113109.9 Ų109.960%0.60457%0.566SS**Hα-helixtrans-69.9-27.1174.5-94-16.7000112.7D825 K833D825-D829 PolarHBondContact O-N 3.24Å; D829-K833 PolarHBondContact O-N 3.38Å
830T51.3Low53.4Low80 Ų80112.5 Ų112.549%0.49158%0.582SS.*Hα-helixtrans-76.9-42.8177.5-48.10000110.7S826 S827 S828 A832 K833 D834S826-T830 PolarHBondContact O-N 3.43Å; S826-T830 PolarHBondContact O-OG1 2.83Å; S827-T830 PolarHBondContact O-N 2.84Å; S828-T830 VanDerWaalsContact C-N 3.29Å; S828-T830 PolarHBondContact O-N 2.92Å; T830-A832 VanDerWaalsContact C-N 3.32Å; T830-A832 PolarHBondContact O-N 3.43Å; T830-K833 PolarHBondContact O-N 2.88Å; T830-D834 PolarHBondContact O-N 2.95Å
831E49.8Very low51.6Low145 Ų145114.9 Ų114.968%0.67859%0.593SS**Hα-helixtrans-63-35172.4-74.1-171.216500112.9S827 D834 R835S827-E831 PolarHBondContact O-N 2.69Å; E831-D834 PolarHBondContact O-N 2.98Å; E831-R835 PolarHBondContact O-N 2.57Å
832A48.1Very low50.4Low54 Ų54117.9 Ų117.945%0.44661%0.608SS.*Hα-helixtrans-70-32.1175.400000113S828 T830 K836S828-A832 WeakPolarHBondContact O-CB 3.44Å; S828-A832 PolarHBondContact O-N 3.36Å; S828-A832 VanDerWaalsContact O-N 3.11Å; T830-A832 VanDerWaalsContact C-N 3.32Å; T830-A832 PolarHBondContact O-N 3.43Å; A832-K836 PolarHBondContact O-N 3.27Å
833K48.4Very low49.1Very low149 Ų149118.4 Ų118.465%0.64862%0.621SS**Hα-helixtrans-74.1-39.7172.1-84.4178.7178171.30112D829 T830 K836 S837D829-K833 PolarHBondContact O-N 3.38Å; T830-K833 PolarHBondContact O-N 2.88Å; K833-K836 PolarHBondContact O-N 2.9Å; K833-K836 VanDerWaalsContact O-N 3.15Å; K833-S837 PolarHBondContact O-N 3.46Å; K833-S837 PolarHBondContact O-OG 2.77Å
834D50.9Low48.1Very low103 Ų103119 Ų11955%0.55163%0.634SS**Hα-helixtrans-66.4-38.5176.8-80.6-20.2000112.1T830 E831 K836 S837 E838T830-D834 PolarHBondContact O-N 2.95Å; E831-D834 PolarHBondContact O-N 2.98Å; D834-K836 VanDerWaalsContact C-N 3.27Å; D834-K836 PolarHBondContact O-N 2.71Å; D834-S837 PolarHBondContact O-N 3.44Å; D834-S837 VanDerWaalsContact O-N 3.14Å; D834-E838 PolarHBondContact O-N 2.68Å
835R49.7Very low47.3Very low194 Ų194120.4 Ų120.473%0.73265%0.647SS**Hα-helixtrans-63.9-26.2171-91.2-176.2171.9-176.41.3114.6E831E831-R835 PolarHBondContact O-N 2.57Å
836K45.7Very low46.3Very low161 Ų161120.4 Ų120.470%0.766%0.656SS**Hα-helixtrans-79-34173.1-97.2-179.3176176.10111.8A832 K833 D834A832-K836 PolarHBondContact O-N 3.27Å; K833-K836 PolarHBondContact O-N 2.9Å; K833-K836 VanDerWaalsContact O-N 3.15Å; D834-K836 VanDerWaalsContact C-N 3.27Å; D834-K836 PolarHBondContact O-N 2.71Å
837S47.9Very low45.4Very low77 Ų77123.2 Ų123.254%0.53868%0.675SS.*Hα-helixtrans-69.3-35.6176.5-51.10000112.1K833 D834 K839 L840K833-S837 PolarHBondContact O-N 3.46Å; K833-S837 PolarHBondContact O-OG 2.77Å; D834-S837 PolarHBondContact O-N 3.44Å; D834-S837 VanDerWaalsContact O-N 3.14Å; S837-K839 VanDerWaalsContact C-N 3.33Å; S837-K839 PolarHBondContact O-N 2.95Å; S837-L840 PolarHBondContact O-N 3.39Å
838E44.6Very low44.6Very low159 Ų159124.5 Ų124.574%0.74369%0.69SS**Hα-helixtrans-72.1-23.1179.3-148.8174.3-161.200113.3D834 L840D834-E838 PolarHBondContact O-N 2.68Å; E838-L840 VanDerWaalsContact C-N 3.33Å; E838-L840 PolarHBondContact O-N 3.13Å
839K47.3Very low43.8Very low191 Ų191130 Ų13083%0.8371%0.709SS**THydrogen-bonded Turntrans-83.41.9177.1-81.2-174.8176.6-1780115.1S837S837-K839 VanDerWaalsContact C-N 3.33Å; S837-K839 PolarHBondContact O-N 2.95Å
840L43.4Very low43.3Very low146 Ų146133.8 Ų133.876%0.76472%0.722SS**THydrogen-bonded Turntrans-113.311.2-174.3-101.7138.5000115S837 E838S837-L840 PolarHBondContact O-N 3.39Å; E838-L840 VanDerWaalsContact C-N 3.33Å; E838-L840 PolarHBondContact O-N 3.13Å
841Q37.8Very low42.8Very low170 Ų170133.1 Ų133.179%0.79473%0.732SS**PPolyproline II helixtrans-86.5125.1167-74.4-175.70.200111
842P41.2Very low42.2Very low115 Ų115139.1 Ų139.175%0.74776%0.759SS**PPolyproline II helixtrans-71.5146.2173.228.9-31.5000110.5S844P842-S844 PolarHBondContact O-N 2.9Å
843P38.9Very low41.9Very low123 Ų123143.4 Ų143.480%0.79978%0.775SS**PPolyproline II helixtrans-68.7126.1-178.627.1-31.2000110.4T845P843-T845 PolarHBondContact O-N 3.35Å
844S39.7Very low41.5Very low114 Ų114143.1 Ų143.180%0.79778%0.782SS**PPolyproline II helixtrans-65.5119.6170.253.50000110.2P842 S846P842-S844 PolarHBondContact O-N 2.9Å; S844-S846 PolarHBondContact O-N 2.93Å
845T42.3Very low41Very low146 Ų146145.3 Ų145.390%0.89680%0.795SS**  trans-68.9114.8170.543.90000110.7P843P843-T845 PolarHBondContact O-N 3.35Å
846S35.9Very low40.5Very low113 Ų113142.5 Ų142.579%0.7980%0.798SS**  trans-133124.9157.464.20000110.5S844S844-S846 PolarHBondContact O-N 2.93Å
847S37.1Very low40.2Very low112 Ų112141.3 Ų141.378%0.78380%0.804SS**  trans-64.3153.3178.849.80000115.8
848A34.9Very low39.7Very low88 Ų88145.6 Ų145.673%0.72782%0.822SS**  trans68.3141.6156.200000116.1
849H34.4Very low39.3Very low178 Ų178144.6 Ų144.682%0.82483%0.828SS**  cis-157.6152.235-122-70.2000109.2
850Q40.4Very low38.7Very low191 Ų191141.1 Ų141.189%0.89383%0.828SS**  trans-56149.8165-68.8166.8-41.400112.2
851G40.1Very low38.3Very low67 Ų67140.7 Ų140.769%0.69183%0.833SS**  trans148.9100.1149.600000116.6
852H36.8Very low38.4Very low271 Ų271138 Ų138100%1.25584%0.836SS**  trans74.70156.7-74.1-63.8000121.2

Retrieved 852 of 852 residues in 1628.8 ms (Link to these results)

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