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Protein JTB

Required for normal cytokinesis during mitosis. Plays a role in the regulation of cell proliferation. May be a component of the chromosomal passenger complex (CPC), a complex that acts as a key regulator of mitosis. The CPC complex has essential functions at the centromere in ensuring correct chromosome alignment and segregation and is required for chromatin-induced microtubule stabilization and spindle assembly. Increases AURKB activity. Inhibits apoptosis induced by TGFB1. Overexpression induces swelling of mitochondria and reduces mitochondrial membrane potential.

AlphaFold DB , UniProt , Accession G7MDT1, Species MACMU (Macaca mulatta, Rhesus macaque), Gene JTB, Length 146 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
1M40Very low43.8Very low247 Ų247137.2 Ų137.2100%1.21784%0.837SS**  0108.90-66.7-179.1172.100108.4
2P46.1Very low44.9Very low136 Ų136139.8 Ų139.888%0.88383%0.833SS**  trans-109.3147.117123.7-6000113
3A40.4Very low45.9Very low100 Ų100131.7 Ų131.783%0.82680%0.796SS**  trans-58.7134.8-174.700000114.6S5A3-S5 PolarHBondContact O-N 3.5Å
4G37.7Very low47.3Very low82 Ų82137.4 Ų137.485%0.84580%0.797SS**  trans-79.4112.1162.700000110.2
5S41.4Very low48.4Very low117 Ų117136.1 Ų136.182%0.81878%0.78SS**  trans-90.7109.2172.9-1660000109.6A3 R7A3-S5 PolarHBondContact O-N 3.5Å; S5-R7 PolarHBondContact O-N 3.45Å
6G41.9Very low49.8Very low64 Ų64133 Ų13366%0.6676%0.759SS**  trans-67.5118.7177.300000111.6H8G6-H8 PolarHBondContact O-N 3.35Å; G6-H8 VanDerWaalsContact O-N 3.16Å
7R45.6Very low50.9Low253 Ų253129.4 Ų129.496%0.95574%0.743SS**  trans-80.490.3170.1-82.5-177166.4-174-4.3110.1S5 G9S5-R7 PolarHBondContact O-N 3.45Å; R7-G9 PolarHBondContact O-N 3.36Å
8H43Very low52.3Low193 Ų193132.2 Ų132.289%0.89474%0.74SS**  trans-71.998.9161.1-86.9-94.9000109.6G6G6-H8 PolarHBondContact O-N 3.35Å; G6-H8 VanDerWaalsContact O-N 3.16Å
9G44.9Very low53.4Low64 Ų64129.7 Ų129.766%0.6672%0.724SS**  trans-137.753.1176.400000111.8R7R7-G9 PolarHBondContact O-N 3.36Å
10L49.3Very low54.3Low150 Ų150125.4 Ų125.479%0.78570%0.699SS**  trans-147.929.7178.6-140.492.5000118.4
11P51.9Low55Low103 Ų103122.2 Ų122.267%0.66969%0.685SS**SBendtrans-95.9-27.5172.232.7-31.2000114.5
12Q56.2Low56.5Low169 Ų169112.3 Ų112.379%0.7964%0.642SS**Hα-helixtrans-79.1-35.7-164.6-150.3166.67.700114.2H15 L16Q12-H15 PolarHBondContact O-N 3.38Å; Q12-L16 PolarHBondContact O-N 3.21Å; Q12-L16 VanDerWaalsContact O-N 3.08Å
13G58.7Low57.7Low34 Ų34112.2 Ų112.235%0.35163%0.628SS.*Hα-helixtrans-73.4-28.2-179.200000114.3C17G13-C17 WeakPolarHBondContact O-CB 3.48Å; G13-C17 PolarHBondContact O-N 3.4Å; G13-C17 VanDerWaalsContact O-N 3.12Å
14R64.6Low58.9Low212 Ų212110 Ų11080%0.861%0.605SS**Hα-helixtrans-73-37.9176.2-156.1171.184.6176.66.4110.5W18R14-W18 VanDerWaalsContact O-CB 3.26Å; R14-W18 WeakPolarHBondContact O-CB 3.34Å; R14-W18 PolarHBondContact O-N 3.22Å
15H65.1Low60.2Low117 Ų117112 Ų11254%0.54260%0.595SS.*Hα-helixtrans-67.4-42.9175.2-155-93.5000111.7Q12 W18 L19Q12-H15 PolarHBondContact O-N 3.38Å; H15-W18 PolarHBondContact O-N 2.87Å; H15-L19 WeakPolarHBondContact ND1-CD1 3.46Å; H15-L19 WeakPolarHBondContact O-CB 3.38Å; H15-L19 WeakPolarHBondContact O-CG 3.41Å; H15-L19 PolarHBondContact O-N 3.16Å
16L69.9Low61.4Low87 Ų87114.3 Ų114.346%0.45559%0.59SS.*Hα-helixtrans-64.1-42.4177.6-150.580.6000112.1Q12 L19 L20 L123Q12-L16 PolarHBondContact O-N 3.21Å; Q12-L16 VanDerWaalsContact O-N 3.08Å; L16-L19 PolarHBondContact O-N 3.14Å; L16-L20 HydrophobicContact CG-CD1 4.36Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 WeakPolarHBondContact O-CD1 3.36Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.36Å; L16-L123 HydrophobicContact CD2-CD1 4.28Å; L16-L123 HydrophobicContact CD2-CD2 4.29Å
17C69.5Low62.3Low72 Ų72116.1 Ų116.149%0.48659%0.585SS.*Hα-helixtrans-62.8-44.6174.6-169.40000111.4G13 L19 L20 C21G13-C17 WeakPolarHBondContact O-CB 3.48Å; G13-C17 PolarHBondContact O-N 3.4Å; G13-C17 VanDerWaalsContact O-N 3.12Å; C17-L19 PolarHBondContact O-N 3.37Å; C17-L20 PolarHBondContact O-N 3.06Å; C17-C21 WeakPolarHBondContact O-CB 3.46Å; C17-C21 PolarHBondContact O-N 3.31Å; C17-C21 PolarHBondContact O-SG 3.49Å; C17-C21 VanDerWaalsContact O-SG 3.35Å
18W75.7Confident62.7Low180 Ų180109.2 Ų109.268%0.68257%0.574SS**Hα-helixtrans-64.3-41.4178.4-158.883.9000112.3R14 H15 C21 A22R14-W18 VanDerWaalsContact O-CB 3.26Å; R14-W18 WeakPolarHBondContact O-CB 3.34Å; R14-W18 PolarHBondContact O-N 3.22Å; H15-W18 PolarHBondContact O-N 2.87Å; W18-C21 PolarHBondContact O-N 3.13Å; W18-A22 VanDerWaalsContact O-CB 3.31Å; W18-A22 WeakPolarHBondContact O-CB 3.41Å; W18-A22 PolarHBondContact O-N 3.31Å
19L73.3Confident63Low85 Ų85108 Ų10845%0.44557%0.568SS.*Hα-helixtrans-62.8-42.9174.7-73.5172.1000111.9H15 L16 C17 A22 F23H15-L19 WeakPolarHBondContact ND1-CD1 3.46Å; H15-L19 WeakPolarHBondContact O-CB 3.38Å; H15-L19 WeakPolarHBondContact O-CG 3.41Å; H15-L19 PolarHBondContact O-N 3.16Å; L16-L19 PolarHBondContact O-N 3.14Å; C17-L19 PolarHBondContact O-N 3.37Å; L19-A22 PolarHBondContact O-N 3.17Å; L19-F23 VanDerWaalsContact O-CB 3.31Å; L19-F23 WeakPolarHBondContact O-CB 3.38Å; L19-F23 PolarHBondContact O-N 2.95Å
20L70Confident63.1Low43 Ų43108.8 Ų108.823%0.22557%0.569CS.*Hα-helixtrans-68.5-38.3178.6-73.9166.2000112.3L16 C17 T24 F120 L123L16-L20 HydrophobicContact CG-CD1 4.36Å; L16-L20 WeakPolarHBondContact O-CB 3.42Å; L16-L20 WeakPolarHBondContact O-CD1 3.36Å; L16-L20 WeakPolarHBondContact O-CG 3.37Å; L16-L20 PolarHBondContact O-N 3.36Å; C17-L20 PolarHBondContact O-N 3.06Å; L20-T24 WeakPolarHBondContact O-CG2 3.46Å; L20-T24 PolarHBondContact O-N 3.44Å; L20-T24 VanDerWaalsContact O-N 3.1Å; L20-T24 PolarHBondContact O-OG1 2.95Å; L20-F120 HydrophobicContact CB-CE1 3.52Å; L20-F120 HydrophobicContact CB-CZ 3.55Å; L20-F120 HydrophobicContact CD1-CD1 4.12Å; L20-F120 HydrophobicContact CD1-CE1 3.59Å; L20-F120 HydrophobicContact CD1-CZ 4.27Å; L20-F120 HydrophobicContact CD2-CE1 4.33Å; L20-F120 HydrophobicContact CD2-CZ 4.21Å; L20-F120 HydrophobicContact CG-CE1 4.01Å; L20-F120 HydrophobicContact CG-CZ 4.22Å; L20-L123 HydrophobicContact CD1-CD1 3.68Å
21C69.7Low62.6Low59 Ų59109.1 Ų109.140%0.39957%0.566SS.*Hα-helixtrans-67-40.8172.5-71.80000112.4C17 W18 F23 T24 L25C17-C21 WeakPolarHBondContact O-CB 3.46Å; C17-C21 PolarHBondContact O-N 3.31Å; C17-C21 PolarHBondContact O-SG 3.49Å; C17-C21 VanDerWaalsContact O-SG 3.35Å; W18-C21 PolarHBondContact O-N 3.13Å; C21-F23 VanDerWaalsContact C-N 3.34Å; C21-T24 WeakPolarHBondContact CA-OG1 3.46Å; C21-T24 PolarHBondContact O-OG1 3.17Å; C21-L25 WeakPolarHBondContact O-CB 3.38Å; C21-L25 WeakPolarHBondContact O-CG 3.29Å; C21-L25 PolarHBondContact O-N 3.24Å; C21-L25 VanDerWaalsContact O-N 3.12Å
22A72Confident62.1Low38 Ų38108 Ų10831%0.31457%0.566SS.*Hα-helixtrans-65.9-38.4176.600000111.9W18 L19 K26W18-A22 VanDerWaalsContact O-CB 3.31Å; W18-A22 WeakPolarHBondContact O-CB 3.41Å; W18-A22 PolarHBondContact O-N 3.31Å; L19-A22 PolarHBondContact O-N 3.17Å; A22-K26 PolarHBondContact O-N 2.91Å; A22-K26 VanDerWaalsContact O-N 3.14Å
23F70.5Confident61.2Low135 Ų135105.8 Ų105.859%0.59257%0.566SS**Hα-helixtrans-68.5-41.4179.2-166.6-103.8000112.4L19 C21 K26 L27L19-F23 VanDerWaalsContact O-CB 3.31Å; L19-F23 WeakPolarHBondContact O-CB 3.38Å; L19-F23 PolarHBondContact O-N 2.95Å; C21-F23 VanDerWaalsContact C-N 3.34Å; F23-K26 PolarHBondContact O-N 3.29Å; F23-L27 HydrophobicContact CD1-CD1 3.73Å; F23-L27 HydrophobicContact CE1-CD1 3.53Å; F23-L27 HydrophobicContact CE1-CG 4.42Å; F23-L27 HydrophobicContact CZ-CD1 4.29Å; F23-L27 PolarHBondContact O-N 3.4Å; F23-L27 VanDerWaalsContact O-N 3.15Å
24T66.1Low60.2Low54 Ų54109.9 Ų109.933%0.33158%0.584SS.*Hα-helixtrans-65.9-41175.846.40000112.5L20 C21 K26 L27 C28 V116 F120L20-T24 WeakPolarHBondContact O-CG2 3.46Å; L20-T24 PolarHBondContact O-N 3.44Å; L20-T24 VanDerWaalsContact O-N 3.1Å; L20-T24 PolarHBondContact O-OG1 2.95Å; C21-T24 WeakPolarHBondContact CA-OG1 3.46Å; C21-T24 PolarHBondContact O-OG1 3.17Å; T24-K26 VanDerWaalsContact C-N 3.28Å; T24-K26 PolarHBondContact O-N 3.15Å; T24-L27 PolarHBondContact O-N 3.11Å; T24-C28 PolarHBondContact O-N 3.3Å; T24-V116 HydrophobicContact CG2-CG1 4.18Å; T24-F120 HydrophobicContact CG2-CE2 4.31Å; T24-F120 HydrophobicContact CG2-CZ 4.46Å
25L65.4Low58.7Low124 Ų124107.9 Ų107.965%0.64958%0.584SS**Hα-helixtrans-62.2-34.2173.6-82.3162.3000112.9C21C21-L25 WeakPolarHBondContact O-CB 3.38Å; C21-L25 WeakPolarHBondContact O-CG 3.29Å; C21-L25 PolarHBondContact O-N 3.24Å; C21-L25 VanDerWaalsContact O-N 3.12Å
26K67Low57.6Low164 Ų164111.3 Ų111.371%0.71360%0.6SS**Hα-helixtrans-72.5-35.6177.8-83-72.1-179.9-176.60113.3A22 F23 T24 C28 Q29A22-K26 PolarHBondContact O-N 2.91Å; A22-K26 VanDerWaalsContact O-N 3.14Å; F23-K26 PolarHBondContact O-N 3.29Å; T24-K26 VanDerWaalsContact C-N 3.28Å; T24-K26 PolarHBondContact O-N 3.15Å; K26-C28 VanDerWaalsContact C-N 3.31Å; K26-Q29 PolarHBondContact O-N 3.04Å
27L59.2Low56.3Low103 Ų103115.2 Ų115.254%0.53962%0.616SS.*Hα-helixtrans-68.5-30.2176.3-77.2160.6000112.6F23 T24 Q29 A30F23-L27 HydrophobicContact CD1-CD1 3.73Å; F23-L27 HydrophobicContact CE1-CD1 3.53Å; F23-L27 HydrophobicContact CE1-CG 4.42Å; F23-L27 HydrophobicContact CZ-CD1 4.29Å; F23-L27 PolarHBondContact O-N 3.4Å; F23-L27 VanDerWaalsContact O-N 3.15Å; T24-L27 PolarHBondContact O-N 3.11Å; L27-Q29 VanDerWaalsContact C-N 3.29Å; L27-Q29 PolarHBondContact O-N 2.89Å; L27-A30 PolarHBondContact O-N 3.22Å
28C55.2Low55Low107 Ų107120.7 Ų120.772%0.72363%0.631SS**Hα-helixtrans-74.7-17.4-179.6-1520000113.5T24 K26 A30T24-C28 PolarHBondContact O-N 3.3Å; K26-C28 VanDerWaalsContact C-N 3.31Å; C28-A30 VanDerWaalsContact C-N 3.31Å
29Q49.1Very low53.4Low167 Ų167119.1 Ų119.178%0.7864%0.635SS**THydrogen-bonded Turntrans-85.21.3178.5-71.5-84.77.300113.6K26 L27K26-Q29 PolarHBondContact O-N 3.04Å; L27-Q29 VanDerWaalsContact C-N 3.29Å; L27-Q29 PolarHBondContact O-N 2.89Å
30A46.1Very low52.3Low81 Ų81119.9 Ų119.967%0.66965%0.648SS**THydrogen-bonded Turntrans-88.1-1.6-177.300000114.3L27 C28 A32L27-A30 PolarHBondContact O-N 3.22Å; C28-A30 VanDerWaalsContact C-N 3.31Å; A30-A32 PolarHBondContact O-N 3Å
31E40Very low50.7Low158 Ų158121.8 Ų121.874%0.73867%0.67SS**  trans-82.895.2175-144.171.1-153.800109.1
32A41.7Very low49.3Very low80 Ų80123 Ų12366%0.66168%0.679SS**  trans-65.1140.7177.100000110.7A30 V34A30-A32 PolarHBondContact O-N 3Å; A32-V34 PolarHBondContact O-N 3.46Å
33P37.3Very low48.3Very low121 Ų121127.1 Ų127.179%0.78670%0.701SS**  trans-65.6129.7-179.627.1-33.4000110.7Q35P33-Q35 PolarHBondContact O-N 3.35Å
34V36.9Very low47.5Very low120 Ų120125 Ų12573%0.72770%0.702SS**  trans-59.1108.3168.2173.80000107.9A32 E36A32-V34 PolarHBondContact O-N 3.46Å; V34-E36 PolarHBondContact O-N 2.88Å
35Q33.3Very low47.5Very low171 Ų171129.3 Ų129.380%0.79972%0.724SS**  trans-72.8113.5170.1-103.6-175600108.8P33 E37P33-Q35 PolarHBondContact O-N 3.35Å; Q35-E37 PolarHBondContact O-N 3.43Å
36E42.5Very low48Very low189 Ų189126.6 Ų126.688%0.88371%0.709SS**  trans-75.395163.9-145.7179.8158.200107.1V34 K38V34-E36 PolarHBondContact O-N 2.88Å; E36-K38 PolarHBondContact O-N 3.3Å; E36-K38 VanDerWaalsContact O-N 3.12Å
37E42Very low48.8Very low168 Ų168120.8 Ų120.879%0.78569%0.689SS**  trans-71.8106.2171.5-89.2-14398.200109.6Q35 L39Q35-E37 PolarHBondContact O-N 3.43Å; E37-L39 PolarHBondContact O-N 3.3Å
38K43Very low50.1Low187 Ų187116.8 Ų116.881%0.81367%0.669SS**  trans-66.496.5171.7-175.1-178.3-177.9-174.10109.6E36 S40E36-K38 PolarHBondContact O-N 3.3Å; E36-K38 VanDerWaalsContact O-N 3.12Å; K38-S40 PolarHBondContact O-N 2.96Å; K38-S40 VanDerWaalsContact O-N 3.16Å
39L42.4Very low51.5Low147 Ų147114.9 Ų114.977%0.7765%0.646SS**  trans-68.6108.4174.1-16870.4000110.1E37E37-L39 PolarHBondContact O-N 3.3Å
40S48.1Very low53.2Low101 Ų101111 Ų11171%0.70663%0.631SS**  trans-135.393.3168.6-77.80000109.1K38K38-S40 PolarHBondContact O-N 2.96Å; K38-S40 VanDerWaalsContact O-N 3.16Å
41A38.3Very low55.1Low84 Ų84112.4 Ų112.469%0.69463%0.63SS**  trans-163.1122.3160.500000112.4
42S40.2Very low57.3Low84 Ų84107.3 Ų107.359%0.58761%0.607SS**  trans32.4117.6155.1-167.30000120.6S44 N45S42-S44 PolarHBondContact O-N 2.9Å; S42-S44 PolarHBondContact OG-OG 3.12Å; S42-N45 PolarHBondContact O-N 3.5Å
43T50.6Low59.4Low125 Ų125111.3 Ų111.377%0.76761%0.612SS**THydrogen-bonded Turntrans-56.4-2.9176.4-52.70000116.3L46T43-L46 HydrophobicContact CG2-CD1 3.85Å
44S54Low61.7Low90 Ų90108.9 Ų108.963%0.62959%0.589SS**THydrogen-bonded Turntrans-94.5-11.8-177.563.20000115.7S42S42-S44 PolarHBondContact O-N 2.9Å; S42-S44 PolarHBondContact OG-OG 3.12Å
45N65.7Low64.1Low145 Ų145107.1 Ų107.178%0.77558%0.578SS**SBendtrans-125.427.5178.1-69.5-70.4000112.3S42S42-N45 PolarHBondContact O-N 3.5Å
46L76.4Confident66.8Low66 Ų66102.2 Ų102.235%0.34656%0.56SS.*  trans-65.2136.8179.1-70160.9000109.6T43 L50 V51T43-L46 HydrophobicContact CG2-CD1 3.85Å; L46-L50 HydrophobicContact CD2-CD2 3.74Å; L46-V51 HydrophobicContact CB-CG2 4.2Å
47P82.8Confident68.9Low43 Ų4396.9 Ų96.928%0.27954%0.54SS..  trans-68.6147.9-18032.5-37.6000110W49 L50P47-W49 VanDerWaalsContact CB-NE1 3.28Å; P47-W49 HydrophobicContact CG-CD2 4.49Å; P47-W49 HydrophobicContact CG-CZ2 3.99Å; P47-W49 PolarHBondContact O-N 2.84Å; P47-L50 HydrophobicContact CG-CD1 4.07Å; P47-L50 WeakPolarHBondContact O-CB 3.37Å; P47-L50 PolarHBondContact O-N 3.08Å
48C87.1Confident71Confident18 Ų1892 Ų9212%0.12252%0.522CS..G310 helixtrans-61.3-26.4-165.664.20000114.2L50 V51 E52 C85 E92C48-L50 PolarHBondContact O-N 3.48Å; C48-V51 PolarHBondContact O-N 3.47Å; C48-V51 VanDerWaalsContact O-N 3.16Å; C48-E52 WeakPolarHBondContact O-CB 3.37Å; C48-E52 PolarHBondContact O-N 2.96Å; C48-C85 HydrophobicContact CB-CB 3.78Å; C48-C85 WeakPolarHBondContact CB-SG 3.31Å; C48-C85 WeakPolarHBondContact SG-CB 3.26Å; C48-C85 CovalentContact SG-SG 2.02Å; C48-C85 PolarHBondContact SG-SG 3.29Å; C48-E92 WeakPolarHBondContact SG-CG 3.2Å
49W83.3Confident73Confident68 Ų6891.1 Ų91.126%0.25852%0.52SS..G310 helixtrans-72.6-9.7177.761.9-88.7000114.9P47 F54 I83 C85 K94P47-W49 VanDerWaalsContact CB-NE1 3.28Å; P47-W49 HydrophobicContact CG-CD2 4.49Å; P47-W49 HydrophobicContact CG-CZ2 3.99Å; P47-W49 PolarHBondContact O-N 2.84Å; W49-F54 HydrophobicContact CB-CB 4.2Å; W49-F54 HydrophobicContact CB-CD1 3.68Å; W49-F54 HydrophobicContact CB-CE1 4.26Å; W49-F54 HydrophobicContact CB-CG 3.97Å; W49-I83 HydrophobicContact CB-CD1 3.41Å; W49-I83 VanDerWaalsContact CB-CD1 3.41Å; W49-I83 HydrophobicContact CD2-CD1 4.38Å; W49-I83 HydrophobicContact CG-CD1 3.5Å; W49-I83 VanDerWaalsContact CG-CD1 3.5Å; W49-C85 PolarHBondContact N-SG 3.34Å; W49-K94 HydrophobicContact CD2-CD 4Å; W49-K94 HydrophobicContact CE3-CD 3.99Å; W49-K94 HydrophobicContact CH2-CD 3.98Å; W49-K94 HydrophobicContact CZ2-CD 3.96Å; W49-K94 HydrophobicContact CZ2-CG 4.2Å; W49-K94 HydrophobicContact CZ3-CD 3.99Å
50L85.6Confident75.2Confident86 Ų8685.7 Ų85.745%0.4550%0.495SS..G310 helixtrans-83.7-21170.4-110.275.4000112.7L46 P47 C48L46-L50 HydrophobicContact CD2-CD2 3.74Å; P47-L50 HydrophobicContact CG-CD1 4.07Å; P47-L50 WeakPolarHBondContact O-CB 3.37Å; P47-L50 PolarHBondContact O-N 3.08Å; C48-L50 PolarHBondContact O-N 3.48Å
51V86.5Confident77Confident109 Ų10983 Ų8366%0.66148%0.476SS*.THydrogen-bonded Turntrans-117.6-29.4-168.2-167.90000111.5L46 C48L46-V51 HydrophobicContact CB-CG2 4.2Å; C48-V51 PolarHBondContact O-N 3.47Å; C48-V51 VanDerWaalsContact O-N 3.16Å
52E85.9Confident79.4Confident52 Ų5283.1 Ų83.124%0.24347%0.469CS..SBendtrans-118.9155.6-177.9-53.5-173.9154.200111.1C48 F54 C85 S87 S88C48-E52 WeakPolarHBondContact O-CB 3.37Å; C48-E52 PolarHBondContact O-N 2.96Å; E52-F54 PolarHBondContact O-N 3.34Å; E52-C85 WeakPolarHBondContact OE2-CB 3.34Å; E52-S87 VanDerWaalsContact OE1-CB 3.24Å; E52-S87 WeakPolarHBondContact OE1-CB 3.45Å; E52-S87 PolarHBondContact OE1-OG 3.15Å; E52-S87 WeakPolarHBondContact OE2-CB 3.45Å; E52-S88 VanDerWaalsContact OE2-CB 3.32Å; E52-S88 WeakPolarHBondContact OE2-CB 3.32Å; E52-S88 PolarHBondContact OE2-N 3.31Å; E52-S88 PolarHBondContact OE2-OG 3.48Å
53E85.3Confident81.7Confident163 Ų16380.2 Ų80.276%0.76245%0.449SS*.  trans-64.2134.4165.3-170.9170.4-160.700109.3S86E53-S86 VanDerWaalsContact O-CB 3.27Å; E53-S86 WeakPolarHBondContact O-CB 3.29Å; E53-S86 PolarHBondContact O-N 3.38Å; E53-S86 PolarHBondContact O-OG 2.99Å
54F86.1Confident83.5Confident71 Ų7176.9 Ų76.931%0.31143%0.431SS..EExtended strand (participates in β ladder)trans-123.3150.1-177.567.8-89.4000110.7W49 E52 V56 I83W49-F54 HydrophobicContact CB-CB 4.2Å; W49-F54 HydrophobicContact CB-CD1 3.68Å; W49-F54 HydrophobicContact CB-CE1 4.26Å; W49-F54 HydrophobicContact CB-CG 3.97Å; E52-F54 PolarHBondContact O-N 3.34Å; F54-V56 HydrophobicContact CD2-CG2 4.35Å; F54-V56 HydrophobicContact CE2-CG2 4Å; F54-I83 HydrophobicContact CB-CB 4.49Å; F54-I83 HydrophobicContact CD2-CB 3.96Å; F54-I83 HydrophobicContact CD2-CD1 4.3Å; F54-I83 HydrophobicContact CD2-CG2 3.75Å; F54-I83 HydrophobicContact CE2-CG2 4.09Å; F54-I83 HydrophobicContact CG-CD1 4.44Å
55V88.4Confident85.2Confident83 Ų8379.5 Ų79.550%0.50344%0.438SS..EExtended strand (participates in β ladder)trans-113.1126.1174.6-176.60000108.8T57 I83 T84V55-T57 PolarHBondContact O-N 2.96Å; V55-T57 PolarHBondContact O-OG1 3.23Å; V55-I83 WeakPolarHBondContact O-CA 3.44Å; V55-T84 PolarHBondContact N-O 3.46Å; V55-T84 PolarHBondContact O-N 2.89Å
56V87.9Confident86.3Confident67 Ų6779.8 Ų79.841%0.40643%0.432SS..EExtended strand (participates in β ladder)trans-69.7113.8174.2-176.10000108.3F54 T58 I83F54-V56 HydrophobicContact CD2-CG2 4.35Å; F54-V56 HydrophobicContact CE2-CG2 4Å; V56-T58 WeakPolarHBondContact CG1-O 3.4Å; V56-I83 HydrophobicContact CG2-CG2 4.12Å
57T87.1Confident86.7Confident78 Ų7879.5 Ų79.548%0.47943%0.429SS..EExtended strand (participates in β ladder)trans-94.6-28.7-177-50.90000111.4V55 K82 T84V55-T57 PolarHBondContact O-N 2.96Å; V55-T57 PolarHBondContact O-OG1 3.23Å; T57-K82 PolarHBondContact N-O 3.45Å; T57-T84 WeakPolarHBondContact OG1-CB 3.47Å; T57-T84 PolarHBondContact OG1-OG1 3.27Å
58T85.5Confident86.9Confident64 Ų6480.1 Ų80.139%0.39344%0.438SS..EExtended strand (participates in β ladder)trans-136.9128.7174.5-49.80000108.9V56 K82V56-T58 WeakPolarHBondContact CG1-O 3.4Å; T58-K82 PolarHBondContact N-O 3.27Å; T58-K82 VanDerWaalsContact N-O 3.1Å; T58-K82 PolarHBondContact O-N 3.48Å
59E85.7Confident86.9Confident169 Ų16987.8 Ų87.879%0.7947%0.469SS*.EExtended strand (participates in β ladder)trans-60.3157.2177.1-62.6-176.4176.200111.8S61E59-S61 PolarHBondContact O-N 2.97Å; E59-S61 VanDerWaalsContact O-N 3.14Å
60C88.7Confident87.1Confident34 Ų3488.1 Ų88.123%0.2348%0.479CS..EExtended strand (participates in β ladder)trans-56116.4-178.2-175.70000111.6C96C60-C96 WeakPolarHBondContact CA-SG 3.23Å; C60-C96 HydrophobicContact CB-CB 3.73Å; C60-C96 WeakPolarHBondContact CB-SG 3.27Å; C60-C96 WeakPolarHBondContact SG-CB 3.47Å; C60-C96 CovalentContact SG-SG 2.01Å; C60-C96 PolarHBondContact SG-SG 3.3Å
61S87Confident87Confident45 Ų4585 Ų8532%0.31546%0.464SS..EExtended strand (participates in β ladder)trans-134153.9-173.264.10000111.7E59 Y79 V80E59-S61 PolarHBondContact O-N 2.97Å; E59-S61 VanDerWaalsContact O-N 3.14Å; S61-Y79 VanDerWaalsContact C-CD1 3.42Å; S61-Y79 WeakPolarHBondContact O-CA 3.11Å; S61-V80 PolarHBondContact N-O 2.88Å; S61-V80 PolarHBondContact O-N 3.34Å
62P88.4Confident87Confident85 Ų8584.9 Ų84.955%0.55247%0.465SS*.EExtended strand (participates in β ladder)trans-66137.3-179.926.4-33.6000110.6S64 Y79P62-S64 PolarHBondContact O-N 3.41Å; P62-Y79 HydrophobicContact CB-CD1 4.11Å; P62-Y79 HydrophobicContact CB-CE1 3.67Å; P62-Y79 HydrophobicContact CG-CE1 4.23Å
63C88.3Confident86.9Confident23 Ų2385.9 Ų85.916%0.15547%0.47CS..PPolyproline II helixtrans-62.7134.4176.8-66.20000111.1Q67 A68 C74 G78C63-Q67 HydrophobicContact CB-CB 4.47Å; C63-A68 HydrophobicContact CB-CB 4.42Å; C63-C74 HydrophobicContact CB-CB 3.78Å; C63-C74 WeakPolarHBondContact CB-SG 3.35Å; C63-C74 VanDerWaalsContact SG-CA 3.58Å; C63-C74 WeakPolarHBondContact SG-CB 3.31Å; C63-C74 CovalentContact SG-SG 2.03Å; C63-C74 PolarHBondContact SG-SG 3.34Å; C63-G78 WeakPolarHBondContact CB-O 3.37Å; C63-G78 PolarHBondContact N-O 3.46Å; C63-G78 VanDerWaalsContact SG-C 3.59Å; C63-G78 PolarHBondContact SG-O 2.94Å; C63-G78 VanDerWaalsContact SG-O 3.41Å
64S88.8Confident87Confident56 Ų5678.4 Ų78.439%0.39244%0.435SS..PPolyproline II helixtrans-67.4158.2168.367.70000110.9P62 F66 Q67 A68P62-S64 PolarHBondContact O-N 3.41Å; S64-F66 PolarHBondContact O-N 3.31Å; S64-F66 VanDerWaalsContact O-N 3.08Å; S64-Q67 PolarHBondContact O-N 3.39Å; S64-Q67 WeakPolarHBondContact OG-CB 3.5Å; S64-Q67 WeakPolarHBondContact OG-CG 3.5Å; S64-Q67 PolarHBondContact OG-N 3.12Å; S64-A68 WeakPolarHBondContact O-CB 3.4Å; S64-A68 PolarHBondContact O-N 2.93Å
65N88Confident86.8Confident144 Ų14478.1 Ų78.177%0.7745%0.452SS*.THydrogen-bonded Turntrans-54.5-31.5178.7-108.8-86.6000113.3
66F89.6Confident86.4Confident151 Ų15178.5 Ų78.566%0.66246%0.457SS*.THydrogen-bonded Turntrans-74.4-49.6175.8-178.9-103.3000111.4S64 A68 K69 T70S64-F66 PolarHBondContact O-N 3.31Å; S64-F66 VanDerWaalsContact O-N 3.08Å; F66-A68 VanDerWaalsContact C-N 3.29Å; F66-A68 PolarHBondContact O-N 2.93Å; F66-K69 PolarHBondContact O-N 3.1Å; F66-T70 HydrophobicContact CD1-CG2 4.26Å; F66-T70 HydrophobicContact CD2-CG2 4.2Å; F66-T70 HydrophobicContact CE1-CG2 3.84Å; F66-T70 HydrophobicContact CE2-CG2 3.77Å; F66-T70 HydrophobicContact CG-CG2 4.44Å; F66-T70 HydrophobicContact CZ-CG2 3.58Å; F66-T70 PolarHBondContact O-N 3.01Å; F66-T70 PolarHBondContact O-OG1 3.29Å
67Q84.6Confident86.1Confident60 Ų6078 Ų7828%0.2845%0.454SS..Hα-helixtrans-62.3-35.4179.3-75.5176.8-4.400112.7C63 S64 K69 T70 T71C63-Q67 HydrophobicContact CB-CB 4.47Å; S64-Q67 PolarHBondContact O-N 3.39Å; S64-Q67 WeakPolarHBondContact OG-CB 3.5Å; S64-Q67 WeakPolarHBondContact OG-CG 3.5Å; S64-Q67 PolarHBondContact OG-N 3.12Å; Q67-K69 PolarHBondContact O-N 3.07Å; Q67-K69 VanDerWaalsContact O-N 3.1Å; Q67-T70 WeakPolarHBondContact CA-OG1 3.37Å; Q67-T70 PolarHBondContact O-N 3.14Å; Q67-T71 WeakPolarHBondContact O-CA 3.45Å; Q67-T71 WeakPolarHBondContact O-CB 3.41Å; Q67-T71 PolarHBondContact O-N 2.93Å; Q67-T71 PolarHBondContact O-OG1 3.42Å
68A86.5Confident86Confident56 Ų5675.8 Ų75.846%0.46345%0.446SS..Hα-helixtrans-58.2-25174.600000113.4C63 S64 F66C63-A68 HydrophobicContact CB-CB 4.42Å; S64-A68 WeakPolarHBondContact O-CB 3.4Å; S64-A68 PolarHBondContact O-N 2.93Å; F66-A68 VanDerWaalsContact C-N 3.29Å; F66-A68 PolarHBondContact O-N 2.93Å
69K87.6Confident86.1Confident180 Ų18075.2 Ų75.278%0.78344%0.437SS*.Hα-helixtrans-97.5-30.3178.1-63.7-175.1-179.9-172.10113.3F66 Q67F66-K69 PolarHBondContact O-N 3.1Å; Q67-K69 PolarHBondContact O-N 3.07Å; Q67-K69 VanDerWaalsContact O-N 3.1Å
70T86.9Confident86.3Confident75 Ų7567.4 Ų67.446%0.4640%0.401SS..Hα-helixtrans-99-21-173.5560000113.6F66 Q67F66-T70 HydrophobicContact CD1-CG2 4.26Å; F66-T70 HydrophobicContact CD2-CG2 4.2Å; F66-T70 HydrophobicContact CE1-CG2 3.84Å; F66-T70 HydrophobicContact CE2-CG2 3.77Å; F66-T70 HydrophobicContact CG-CG2 4.44Å; F66-T70 HydrophobicContact CZ-CG2 3.58Å; F66-T70 PolarHBondContact O-N 3.01Å; F66-T70 PolarHBondContact O-OG1 3.29Å; Q67-T70 WeakPolarHBondContact CA-OG1 3.37Å; Q67-T70 PolarHBondContact O-N 3.14Å
71T85.1Confident86.4Confident21 Ų2167.3 Ų67.313%0.12940%0.397CS..  trans-113.6109.2-176.6-49.10000108.8Q67 E73 C74 F93Q67-T71 WeakPolarHBondContact O-CA 3.45Å; Q67-T71 WeakPolarHBondContact O-CB 3.41Å; Q67-T71 PolarHBondContact O-N 2.93Å; Q67-T71 PolarHBondContact O-OG1 3.42Å; T71-E73 HydrophobicContact CG2-CB 4.03Å; T71-E73 HydrophobicContact CG2-CG 4.37Å; T71-E73 PolarHBondContact O-N 3.3Å; T71-C74 WeakPolarHBondContact O-CB 3.39Å; T71-C74 PolarHBondContact O-N 2.9Å; T71-C74 VanDerWaalsContact O-N 3.12Å; T71-F93 HydrophobicContact CG2-CB 4.13Å; T71-F93 HydrophobicContact CG2-CG 4.45Å
72P84.9Confident86.6Confident106 Ų10668.3 Ų68.369%0.68840%0.396SS*.G310 helixtrans-63-28.1-177.425.7-33.9000112.5C74 G75P72-C74 PolarHBondContact O-N 2.97Å; P72-C74 VanDerWaalsContact O-N 3.1Å; P72-G75 PolarHBondContact O-N 3.46Å
73E85.5Confident86.7Confident73 Ų7364.3 Ų64.334%0.34137%0.37SS..G310 helixtrans-61.6-17.2176.4-54.7-58.5141.700113.8T71 V80 S95T71-E73 HydrophobicContact CG2-CB 4.03Å; T71-E73 HydrophobicContact CG2-CG 4.37Å; T71-E73 PolarHBondContact O-N 3.3Å; E73-V80 HydrophobicContact CB-CG1 4.06Å; E73-S95 WeakPolarHBondContact O-CB 3.48Å
74C86.3Confident86.8Confident6 Ų664.9 Ų64.94%0.04137%0.373CS..G310 helixtrans-78.3-18.8172.8-75.10000113.4C63 T71 P72 G78 V80C63-C74 HydrophobicContact CB-CB 3.78Å; C63-C74 WeakPolarHBondContact CB-SG 3.35Å; C63-C74 VanDerWaalsContact SG-CA 3.58Å; C63-C74 WeakPolarHBondContact SG-CB 3.31Å; C63-C74 CovalentContact SG-SG 2.03Å; C63-C74 PolarHBondContact SG-SG 3.34Å; T71-C74 WeakPolarHBondContact O-CB 3.39Å; T71-C74 PolarHBondContact O-N 2.9Å; T71-C74 VanDerWaalsContact O-N 3.12Å; P72-C74 PolarHBondContact O-N 2.97Å; P72-C74 VanDerWaalsContact O-N 3.1Å; C74-G78 WeakPolarHBondContact O-CA 3.2Å; C74-G78 PolarHBondContact O-N 3.09Å; C74-V80 HydrophobicContact CB-CG1 4.43Å; C74-V80 WeakPolarHBondContact SG-CG1 3.48Å
75G81.4Confident86.9Confident65 Ų6562.2 Ų62.267%0.6735%0.354SS*.THydrogen-bonded Turntrans-59.4-48.1-175.900000115.8P72P72-G75 PolarHBondContact O-N 3.46Å
76P80.1Confident86.9Confident91 Ų9158.2 Ų58.259%0.59134%0.337SS*.THydrogen-bonded Turntrans-75.1-39.7-171.325.4-33.7000114.1
77T82.2Confident86.7Confident56 Ų5655.4 Ų55.434%0.34434%0.336SS..THydrogen-bonded Turntrans-116.6-20.2-175.765.50000113.8Y79 C96T77-Y79 WeakPolarHBondContact O-CD2 3.47Å; T77-Y79 PolarHBondContact O-N 2.87Å; T77-Y79 PolarHBondContact OG1-N 3.37Å; T77-Y79 PolarHBondContact OG1-O 3.18Å; T77-Y79 VanDerWaalsContact OG1-O 3.08Å; T77-C96 PolarHBondContact OG1-O 3.46Å; T77-C96 VanDerWaalsContact OG1-O 3.12Å
78G85.9Confident86.6Confident31 Ų3154.4 Ų54.432%0.3234%0.336SS..SBendtrans766.8-169.700000114.3C63 C74C63-G78 WeakPolarHBondContact CB-O 3.37Å; C63-G78 PolarHBondContact N-O 3.46Å; C63-G78 VanDerWaalsContact SG-C 3.59Å; C63-G78 PolarHBondContact SG-O 2.94Å; C63-G78 VanDerWaalsContact SG-O 3.41Å; C74-G78 WeakPolarHBondContact O-CA 3.2Å; C74-G78 PolarHBondContact O-N 3.09Å
79Y86Confident86.6Confident52 Ų5259.9 Ų59.920%0.20435%0.35CS..EExtended strand (participates in β ladder)trans-130.6142.1-179.2-71.6-101.9000110.8S61 P62 T77 C96 M101S61-Y79 VanDerWaalsContact C-CD1 3.42Å; S61-Y79 WeakPolarHBondContact O-CA 3.11Å; P62-Y79 HydrophobicContact CB-CD1 4.11Å; P62-Y79 HydrophobicContact CB-CE1 3.67Å; P62-Y79 HydrophobicContact CG-CE1 4.23Å; T77-Y79 WeakPolarHBondContact O-CD2 3.47Å; T77-Y79 PolarHBondContact O-N 2.87Å; T77-Y79 PolarHBondContact OG1-N 3.37Å; T77-Y79 PolarHBondContact OG1-O 3.18Å; T77-Y79 VanDerWaalsContact OG1-O 3.08Å; Y79-C96 PolarHBondContact O-N 2.95Å; Y79-M101 HydrophobicContact CE2-CE 3.76Å; Y79-M101 HydrophobicContact CE2-CG 4.23Å; Y79-M101 HydrophobicContact CE2-SD 4.41Å; Y79-M101 WeakPolarHBondContact OH-CE 3.31Å; Y79-M101 PolarHBondContact OH-SD 3.12Å; Y79-M101 VanDerWaalsContact OH-SD 3.39Å
80V90.9Very high86.5Confident5 Ų559.2 Ų59.23%0.0334%0.342CS..EExtended strand (participates in β ladder)trans-133.6146178-70.50000111.8S61 E73 C74 K94S61-V80 PolarHBondContact N-O 2.88Å; S61-V80 PolarHBondContact O-N 3.34Å; E73-V80 HydrophobicContact CB-CG1 4.06Å; C74-V80 HydrophobicContact CB-CG1 4.43Å; C74-V80 WeakPolarHBondContact SG-CG1 3.48Å; V80-K94 VanDerWaalsContact CA-O 3.31Å; V80-K94 WeakPolarHBondContact CA-O 3.27Å
81E90.4Very high86.5Confident33 Ų3359.9 Ų59.915%0.15434%0.342CS..EExtended strand (participates in β ladder)trans-108.5146.7166.965.3-175.5-177.400109.5I83 K94 C96E81-I83 HydrophobicContact CG-CG2 4.24Å; E81-K94 HydrophobicContact CG-CB 4.05Å; E81-K94 PolarHBondContact N-O 2.91Å; E81-K94 PolarHBondContact O-N 3.31Å; E81-K94 VanDerWaalsContact O-N 3.07Å; E81-K94 WeakPolarHBondContact OE1-CD 3.43Å; E81-K94 IonicContact OE1-NZ 3.15Å; E81-C96 HydrophobicContact CB-CB 4.06Å; E81-C96 HydrophobicContact CG-CB 3.96Å; E81-C96 PolarHBondContact N-SG 2.95Å
82K91Very high86.7Confident66 Ų6662.2 Ų62.229%0.28735%0.351SS..EExtended strand (participates in β ladder)trans-101.8122.7177.9-167.9-177.8-171179.60108.6T57 T58 I91 F93T57-K82 PolarHBondContact N-O 3.45Å; T58-K82 PolarHBondContact N-O 3.27Å; T58-K82 VanDerWaalsContact N-O 3.1Å; T58-K82 PolarHBondContact O-N 3.48Å; K82-I91 HydrophobicContact CD-CG2 4.1Å; K82-I91 HydrophobicContact CG-CG2 3.79Å; K82-F93 HydrophobicContact CB-CD1 4.42Å; K82-F93 HydrophobicContact CB-CE1 4.24Å; K82-F93 HydrophobicContact CD-CE1 4.29Å; K82-F93 HydrophobicContact CG-CD1 4.39Å; K82-F93 HydrophobicContact CG-CE1 3.96Å; K82-F93 HydrophobicContact CG-CZ 4.46Å
83I91Very high86.8Confident0 Ų060.5 Ų60.50%033%0.333CS..EExtended strand (participates in β ladder)trans-119.9144.9-179.161.6-178.5000109.9W49 F54 V55 V56 E81 I91 E92 K94W49-I83 HydrophobicContact CB-CD1 3.41Å; W49-I83 VanDerWaalsContact CB-CD1 3.41Å; W49-I83 HydrophobicContact CD2-CD1 4.38Å; W49-I83 HydrophobicContact CG-CD1 3.5Å; W49-I83 VanDerWaalsContact CG-CD1 3.5Å; F54-I83 HydrophobicContact CB-CB 4.49Å; F54-I83 HydrophobicContact CD2-CB 3.96Å; F54-I83 HydrophobicContact CD2-CD1 4.3Å; F54-I83 HydrophobicContact CD2-CG2 3.75Å; F54-I83 HydrophobicContact CE2-CG2 4.09Å; F54-I83 HydrophobicContact CG-CD1 4.44Å; V55-I83 WeakPolarHBondContact O-CA 3.44Å; V56-I83 HydrophobicContact CG2-CG2 4.12Å; E81-I83 HydrophobicContact CG-CG2 4.24Å; I83-I91 WeakPolarHBondContact O-CA 3.31Å; I83-E92 HydrophobicContact CD1-CB 4.44Å; I83-E92 HydrophobicContact CG1-CB 4.06Å; I83-E92 WeakPolarHBondContact CG1-O 3.27Å; I83-E92 PolarHBondContact N-O 3.44Å; I83-E92 PolarHBondContact O-N 3.43Å; I83-K94 HydrophobicContact CD1-CB 4.28Å
84T91.2Very high86.9Confident36 Ų3659.4 Ų59.422%0.22133%0.327CS..EExtended strand (participates in β ladder)trans-116.1121.4172.9-55.90000107.9V55 T57 R90V55-T84 PolarHBondContact N-O 3.46Å; V55-T84 PolarHBondContact O-N 2.89Å; T57-T84 WeakPolarHBondContact OG1-CB 3.47Å; T57-T84 PolarHBondContact OG1-OG1 3.27Å; T84-R90 WeakPolarHBondContact CA-O 3.49Å
85C89.2Confident87Confident0 Ų061 Ų610%034%0.339CS..EExtended strand (participates in β ladder)trans-75.3132178.5-69.90000110.4C48 W49 E52 S88 K89 R90C48-C85 HydrophobicContact CB-CB 3.78Å; C48-C85 WeakPolarHBondContact CB-SG 3.31Å; C48-C85 WeakPolarHBondContact SG-CB 3.26Å; C48-C85 CovalentContact SG-SG 2.02Å; C48-C85 PolarHBondContact SG-SG 3.29Å; W49-C85 PolarHBondContact N-SG 3.34Å; E52-C85 WeakPolarHBondContact OE2-CB 3.34Å; C85-S88 WeakPolarHBondContact CB-OG 3.48Å; C85-K89 WeakPolarHBondContact O-CA 3.32Å; C85-K89 PolarHBondContact O-N 3.49Å; C85-R90 PolarHBondContact N-O 3.35Å
86S88.8Confident87.2Confident60 Ų6058.3 Ų58.342%0.4231%0.31SS..THydrogen-bonded Turntrans-70.5-36.7-168.6-64.40000113.2E53E53-S86 VanDerWaalsContact O-CB 3.27Å; E53-S86 WeakPolarHBondContact O-CB 3.29Å; E53-S86 PolarHBondContact O-N 3.38Å; E53-S86 PolarHBondContact O-OG 2.99Å
87S84.4Confident87.1Confident91 Ų9162.1 Ų62.164%0.63631%0.312SS*.THydrogen-bonded Turntrans-81.8-49.7-177.1152.60000111.4E52E52-S87 VanDerWaalsContact OE1-CB 3.24Å; E52-S87 WeakPolarHBondContact OE1-CB 3.45Å; E52-S87 PolarHBondContact OE1-OG 3.15Å; E52-S87 WeakPolarHBondContact OE2-CB 3.45Å
88S83.4Confident86.6Confident40 Ų4060.7 Ų60.728%0.2830%0.304SS..THydrogen-bonded Turntrans-84.2-14.4-178.858.40000114.9E52 C85 R90E52-S88 VanDerWaalsContact OE2-CB 3.32Å; E52-S88 WeakPolarHBondContact OE2-CB 3.32Å; E52-S88 PolarHBondContact OE2-N 3.31Å; E52-S88 PolarHBondContact OE2-OG 3.48Å; C85-S88 WeakPolarHBondContact CB-OG 3.48Å; S88-R90 PolarHBondContact O-N 3.05Å; S88-R90 VanDerWaalsContact O-N 3.07Å
89K86.4Confident85.9Confident171 Ų17162.1 Ų62.174%0.74331%0.313SS*.  trans52.722.3-171.8-60.9-171.8179.9-177.40114C85C85-K89 WeakPolarHBondContact O-CA 3.32Å; C85-K89 PolarHBondContact O-N 3.49Å
90R85.8Confident85Confident166 Ų16664.9 Ų64.963%0.62633%0.331SS*.  trans-81.6141.1177.6-67.9179.5-176.8-160.62109.8T84 C85 S88T84-R90 WeakPolarHBondContact CA-O 3.49Å; C85-R90 PolarHBondContact N-O 3.35Å; S88-R90 PolarHBondContact O-N 3.05Å; S88-R90 VanDerWaalsContact O-N 3.07Å
91I87Confident83.8Confident88 Ų8868 Ų6845%0.45135%0.346SS..EExtended strand (participates in β ladder)trans-93.7121.3174.3-64.6175.8000107K82 I83K82-I91 HydrophobicContact CD-CG2 4.1Å; K82-I91 HydrophobicContact CG-CG2 3.79Å; I83-I91 WeakPolarHBondContact O-CA 3.31Å
92E87.9Confident82.8Confident71 Ų7170.6 Ų70.633%0.33236%0.358SS..EExtended strand (participates in β ladder)trans-121.7158.3174.3-66.4-64.9167.700109.9C48 I83C48-E92 WeakPolarHBondContact SG-CG 3.2Å; I83-E92 HydrophobicContact CD1-CB 4.44Å; I83-E92 HydrophobicContact CG1-CB 4.06Å; I83-E92 WeakPolarHBondContact CG1-O 3.27Å; I83-E92 PolarHBondContact N-O 3.44Å; I83-E92 PolarHBondContact O-N 3.43Å
93F88.1Confident82Confident70 Ų7073 Ų7331%0.30737%0.37SS..EExtended strand (participates in β ladder)trans-108.8143.6173.1-64.4-83.9000108.9T71 K82T71-F93 HydrophobicContact CG2-CB 4.13Å; T71-F93 HydrophobicContact CG2-CG 4.45Å; K82-F93 HydrophobicContact CB-CD1 4.42Å; K82-F93 HydrophobicContact CB-CE1 4.24Å; K82-F93 HydrophobicContact CD-CE1 4.29Å; K82-F93 HydrophobicContact CG-CD1 4.39Å; K82-F93 HydrophobicContact CG-CE1 3.96Å; K82-F93 HydrophobicContact CG-CZ 4.46Å
94K87.8Confident81.4Confident49 Ų4978.9 Ų78.921%0.21340%0.398CS..EExtended strand (participates in β ladder)trans-134.4140.3177.4-179.9179.4167.3-166.70109.6W49 V80 E81 I83 C96W49-K94 HydrophobicContact CD2-CD 4Å; W49-K94 HydrophobicContact CE3-CD 3.99Å; W49-K94 HydrophobicContact CH2-CD 3.98Å; W49-K94 HydrophobicContact CZ2-CD 3.96Å; W49-K94 HydrophobicContact CZ2-CG 4.2Å; W49-K94 HydrophobicContact CZ3-CD 3.99Å; V80-K94 VanDerWaalsContact CA-O 3.31Å; V80-K94 WeakPolarHBondContact CA-O 3.27Å; E81-K94 HydrophobicContact CG-CB 4.05Å; E81-K94 PolarHBondContact N-O 2.91Å; E81-K94 PolarHBondContact O-N 3.31Å; E81-K94 VanDerWaalsContact O-N 3.07Å; E81-K94 WeakPolarHBondContact OE1-CD 3.43Å; E81-K94 IonicContact OE1-NZ 3.15Å; I83-K94 HydrophobicContact CD1-CB 4.28Å; K94-C96 PolarHBondContact O-N 3.34Å
95S87.5Confident80.8Confident40 Ų4081.7 Ų81.728%0.2841%0.411SS..EExtended strand (participates in β ladder)trans-63.7128.5170.163.10000110E73E73-S95 WeakPolarHBondContact O-CB 3.48Å
96C86.4Confident80.5Confident9 Ų987.4 Ų87.46%0.06144%0.436CS..  trans-119.3148.8-179.759.70000110.4C60 T77 Y79 E81 K94C60-C96 WeakPolarHBondContact CA-SG 3.23Å; C60-C96 HydrophobicContact CB-CB 3.73Å; C60-C96 WeakPolarHBondContact CB-SG 3.27Å; C60-C96 WeakPolarHBondContact SG-CB 3.47Å; C60-C96 CovalentContact SG-SG 2.01Å; C60-C96 PolarHBondContact SG-SG 3.3Å; T77-C96 PolarHBondContact OG1-O 3.46Å; T77-C96 VanDerWaalsContact OG1-O 3.12Å; Y79-C96 PolarHBondContact O-N 2.95Å; E81-C96 HydrophobicContact CB-CB 4.06Å; E81-C96 HydrophobicContact CG-CB 3.96Å; E81-C96 PolarHBondContact N-SG 2.95Å; K94-C96 PolarHBondContact O-N 3.34Å
97R78.6Confident80.4Confident171 Ų17194 Ų9465%0.64545%0.452SS*.  trans-106.999172.8-169.5173177.6111.36.3107.4A99 E102R97-A99 PolarHBondContact O-N 3.28Å; R97-E102 IonicContact CZ-OE1 2.76Å; R97-E102 IonicContact NE-OE1 3.88Å; R97-E102 PolarHBondContact NE-OE1 3.07Å; R97-E102 IonicContact NH2-OE1 2.68Å; R97-E102 PolarHBondContact NH2-OE1 3.39Å
98S71.4Confident80.3Confident25 Ų2597.4 Ų97.418%0.17546%0.455CS..  trans-74.4122.6-178.1-174.50000111L100 M101 E102S98-L100 PolarHBondContact O-N 3.34Å; S98-L100 PolarHBondContact OG-N 3.16Å; S98-M101 WeakPolarHBondContact O-CB 3.45Å; S98-M101 PolarHBondContact O-N 3Å; S98-M101 VanDerWaalsContact O-N 3.09Å; S98-E102 PolarHBondContact O-N 3.21Å
99A71.1Confident80.5Confident62 Ų62101.6 Ų101.651%0.51247%0.468SS..Hα-helixtrans-60.5-29.7173.200000112.5R97 M101 E102 Q103R97-A99 PolarHBondContact O-N 3.28Å; A99-M101 VanDerWaalsContact C-N 3.32Å; A99-M101 PolarHBondContact O-N 3.39Å; A99-E102 PolarHBondContact O-N 3.07Å; A99-Q103 WeakPolarHBondContact O-CG 3.31Å; A99-Q103 PolarHBondContact O-N 3.47Å; A99-Q103 VanDerWaalsContact O-N 3.11Å
100L66.1Low80.7Confident110 Ų11097.7 Ų97.758%0.57645%0.453SS*.Hα-helixtrans-67.3-34.4175.5-67.7176.1000112S98 Q103 H104S98-L100 PolarHBondContact O-N 3.34Å; S98-L100 PolarHBondContact OG-N 3.16Å; L100-Q103 PolarHBondContact O-N 3.18Å; L100-H104 PolarHBondContact O-CD2 2.79Å; L100-H104 PolarHBondContact O-N 3.05Å
101M66.1Low80.9Confident70 Ų7091.6 Ų91.635%0.34544%0.442SS..Hα-helixtrans-68.7-41.3176.1-176.859.7152.700111.2Y79 S98 A99 Q103 H104 L105Y79-M101 HydrophobicContact CE2-CE 3.76Å; Y79-M101 HydrophobicContact CE2-CG 4.23Å; Y79-M101 HydrophobicContact CE2-SD 4.41Å; Y79-M101 WeakPolarHBondContact OH-CE 3.31Å; Y79-M101 PolarHBondContact OH-SD 3.12Å; Y79-M101 VanDerWaalsContact OH-SD 3.39Å; S98-M101 WeakPolarHBondContact O-CB 3.45Å; S98-M101 PolarHBondContact O-N 3Å; S98-M101 VanDerWaalsContact O-N 3.09Å; A99-M101 VanDerWaalsContact C-N 3.32Å; A99-M101 PolarHBondContact O-N 3.39Å; M101-Q103 VanDerWaalsContact C-N 3.27Å; M101-Q103 PolarHBondContact O-N 2.95Å; M101-H104 PolarHBondContact O-N 2.87Å; M101-L105 PolarHBondContact O-N 3.2Å
102E70.2Confident81Confident87 Ų8789.9 Ų89.941%0.40744%0.441SS..Hα-helixtrans-60.1-39.9174.7-63-170.7140.300111.4R97 S98 A99 L105 F106R97-E102 IonicContact CZ-OE1 2.76Å; R97-E102 IonicContact NE-OE1 3.88Å; R97-E102 PolarHBondContact NE-OE1 3.07Å; R97-E102 IonicContact NH2-OE1 2.68Å; R97-E102 PolarHBondContact NH2-OE1 3.39Å; S98-E102 PolarHBondContact O-N 3.21Å; A99-E102 PolarHBondContact O-N 3.07Å; E102-L105 PolarHBondContact O-N 2.92Å; E102-F106 VanDerWaalsContact O-CB 3.23Å; E102-F106 WeakPolarHBondContact O-CB 3.42Å; E102-F106 PolarHBondContact O-N 2.98Å
103Q74.1Confident81.1Confident116 Ų11689.9 Ų89.954%0.54245%0.446SS..Hα-helixtrans-64.9-41.9174.7-71.5-177.6-2.800112.8A99 L100 M101 F106 W107A99-Q103 WeakPolarHBondContact O-CG 3.31Å; A99-Q103 PolarHBondContact O-N 3.47Å; A99-Q103 VanDerWaalsContact O-N 3.11Å; L100-Q103 PolarHBondContact O-N 3.18Å; M101-Q103 VanDerWaalsContact C-N 3.27Å; M101-Q103 PolarHBondContact O-N 2.95Å; Q103-F106 WeakPolarHBondContact O-CB 3.28Å; Q103-F106 PolarHBondContact O-N 2.76Å; Q103-W107 VanDerWaalsContact O-CD1 3.31Å; Q103-W107 PolarHBondContact O-N 2.68Å
104H77.6Confident81.3Confident125 Ų12590.7 Ų90.758%0.57946%0.456SS*.Hα-helixtrans-65.5-41.6176.3-78.3-58.7000112.4L100 M101 F106 W107 K108L100-H104 PolarHBondContact O-CD2 2.79Å; L100-H104 PolarHBondContact O-N 3.05Å; M101-H104 PolarHBondContact O-N 2.87Å; H104-F106 VanDerWaalsContact C-N 3.32Å; H104-W107 PolarHBondContact O-N 3.29Å; H104-K108 VanDerWaalsContact O-CG 3.28Å; H104-K108 WeakPolarHBondContact O-CG 3.42Å; H104-K108 PolarHBondContact O-N 3.5Å
105L79.1Confident81.5Confident95 Ų9594.4 Ų94.450%0.49747%0.472SS..Hα-helixtrans-62.5-43.6174.9-125.968.7000110.9M101 E102 K108 F109M101-L105 PolarHBondContact O-N 3.2Å; E102-L105 PolarHBondContact O-N 2.92Å; L105-K108 PolarHBondContact O-N 3.07Å; L105-F109 WeakPolarHBondContact O-CB 3.36Å; L105-F109 PolarHBondContact O-N 3.11Å
106F82.8Confident81.6Confident119 Ų11994.5 Ų94.552%0.52247%0.471SS..Hα-helixtrans-57.7-50.5175.1-179.8-96000111.7E102 Q103 H104 K108 F109 E110E102-F106 VanDerWaalsContact O-CB 3.23Å; E102-F106 WeakPolarHBondContact O-CB 3.42Å; E102-F106 PolarHBondContact O-N 2.98Å; Q103-F106 WeakPolarHBondContact O-CB 3.28Å; Q103-F106 PolarHBondContact O-N 2.76Å; H104-F106 VanDerWaalsContact C-N 3.32Å; F106-K108 VanDerWaalsContact C-N 3.31Å; F106-K108 PolarHBondContact O-N 3.35Å; F106-F109 PolarHBondContact O-N 3.37Å; F106-E110 HydrophobicContact CE1-CB 4.39Å; F106-E110 VanDerWaalsContact O-CB 3.27Å; F106-E110 WeakPolarHBondContact O-CB 3.15Å; F106-E110 PolarHBondContact O-N 2.88Å
107W86.7Confident81.8Confident199 Ų19996.7 Ų96.775%0.75449%0.49SS*.Hα-helixtrans-63-35.9179.2-91.984.2000113.2Q103 H104 G111Q103-W107 VanDerWaalsContact O-CD1 3.31Å; Q103-W107 PolarHBondContact O-N 2.68Å; H104-W107 PolarHBondContact O-N 3.29Å; W107-G111 PolarHBondContact O-N 3.41Å
108K82.9Confident82.5Confident163 Ų16393.6 Ų93.671%0.70949%0.485SS*.Hα-helixtrans-69-40.7175.9-70179.485.8168.70111.4H104 L105 F106 A112H104-K108 VanDerWaalsContact O-CG 3.28Å; H104-K108 WeakPolarHBondContact O-CG 3.42Å; H104-K108 PolarHBondContact O-N 3.5Å; L105-K108 PolarHBondContact O-N 3.07Å; F106-K108 VanDerWaalsContact C-N 3.31Å; F106-K108 PolarHBondContact O-N 3.35Å; K108-A112 VanDerWaalsContact O-CB 3.31Å; K108-A112 WeakPolarHBondContact O-CB 3.17Å; K108-A112 PolarHBondContact O-N 3.4Å; K108-A112 VanDerWaalsContact O-N 3.07Å
109F86.1Confident83.4Confident128 Ų12895.6 Ų95.656%0.56149%0.493SS*.Hα-helixtrans-66.7-53.8175.9175.6-97.5000111.7L105 F106 G111 A112 V113L105-F109 WeakPolarHBondContact O-CB 3.36Å; L105-F109 PolarHBondContact O-N 3.11Å; F106-F109 PolarHBondContact O-N 3.37Å; F109-G111 VanDerWaalsContact C-N 3.31Å; F109-G111 PolarHBondContact O-N 2.89Å; F109-A112 WeakPolarHBondContact O-CB 3.18Å; F109-A112 PolarHBondContact O-N 3.39Å; F109-V113 HydrophobicContact CD1-CG2 4.26Å; F109-V113 HydrophobicContact CD2-CG2 4.33Å; F109-V113 HydrophobicContact CE1-CG2 3.81Å; F109-V113 HydrophobicContact CE2-CG2 3.88Å; F109-V113 HydrophobicContact CZ-CG2 3.6Å; F109-V113 WeakPolarHBondContact O-CG2 3.48Å; F109-V113 PolarHBondContact O-N 3.4Å
110E90.8Very high84.2Confident88 Ų8895.7 Ų95.741%0.41148%0.482SS..Hα-helixtrans-56.6-47-179.8-17067.8-168.700110.5F106 A112 V113 V114F106-E110 HydrophobicContact CE1-CB 4.39Å; F106-E110 VanDerWaalsContact O-CB 3.27Å; F106-E110 WeakPolarHBondContact O-CB 3.15Å; F106-E110 PolarHBondContact O-N 2.88Å; E110-A112 VanDerWaalsContact C-N 3.35Å; E110-A112 PolarHBondContact O-N 3.31Å; E110-V113 PolarHBondContact O-N 3.45Å; E110-V114 WeakPolarHBondContact O-CB 3.03Å; E110-V114 VanDerWaalsContact O-CG2 3.29Å; E110-V114 WeakPolarHBondContact O-CG2 3.31Å; E110-V114 PolarHBondContact O-N 3.03Å
111G90.8Very high85.4Confident39 Ų3992.6 Ų92.640%0.40247%0.473SS..Hα-helixtrans-60.6-40.9175.700000113.2W107 F109 F115W107-G111 PolarHBondContact O-N 3.41Å; F109-G111 VanDerWaalsContact C-N 3.31Å; F109-G111 PolarHBondContact O-N 2.89Å; G111-F115 VanDerWaalsContact O-CB 3.31Å; G111-F115 WeakPolarHBondContact O-CB 3.47Å; G111-F115 PolarHBondContact O-N 3.02Å
112A89.3Confident86.5Confident52 Ų5292.2 Ų92.243%0.4348%0.477SS..Hα-helixtrans-65.4-43.7176.900000112K108 F109 E110 F115 V116K108-A112 VanDerWaalsContact O-CB 3.31Å; K108-A112 WeakPolarHBondContact O-CB 3.17Å; K108-A112 PolarHBondContact O-N 3.4Å; K108-A112 VanDerWaalsContact O-N 3.07Å; F109-A112 WeakPolarHBondContact O-CB 3.18Å; F109-A112 PolarHBondContact O-N 3.39Å; E110-A112 VanDerWaalsContact C-N 3.35Å; E110-A112 PolarHBondContact O-N 3.31Å; A112-F115 PolarHBondContact O-N 3.41Å; A112-V116 WeakPolarHBondContact O-CB 3.42Å; A112-V116 VanDerWaalsContact O-CG2 3.27Å; A112-V116 WeakPolarHBondContact O-CG2 3.41Å; A112-V116 PolarHBondContact O-N 3.09Å
113V89.6Confident87.4Confident71 Ų7191.1 Ų91.143%0.4347%0.473SS..Hα-helixtrans-65-45.1179.1174.20000111F109 E110 F115 V116 A117F109-V113 HydrophobicContact CD1-CG2 4.26Å; F109-V113 HydrophobicContact CD2-CG2 4.33Å; F109-V113 HydrophobicContact CE1-CG2 3.81Å; F109-V113 HydrophobicContact CE2-CG2 3.88Å; F109-V113 HydrophobicContact CZ-CG2 3.6Å; F109-V113 WeakPolarHBondContact O-CG2 3.48Å; F109-V113 PolarHBondContact O-N 3.4Å; E110-V113 PolarHBondContact O-N 3.45Å; V113-F115 VanDerWaalsContact C-N 3.35Å; V113-F115 PolarHBondContact O-N 2.92Å; V113-V116 PolarHBondContact O-N 3.21Å; V113-A117 WeakPolarHBondContact O-CB 3Å; V113-A117 PolarHBondContact O-N 3.22Å
114V93.4Very high88.1Confident86 Ų8689.2 Ų89.252%0.52147%0.469SS..Hα-helixtrans-60.7-44.2176.4170.50000111.2E110 A117 L118E110-V114 WeakPolarHBondContact O-CB 3.03Å; E110-V114 VanDerWaalsContact O-CG2 3.29Å; E110-V114 WeakPolarHBondContact O-CG2 3.31Å; E110-V114 PolarHBondContact O-N 3.03Å; V114-A117 PolarHBondContact O-N 3.08Å; V114-L118 PolarHBondContact O-N 3.1Å
115F91.3Very high88.6Confident128 Ų12886.8 Ų86.856%0.56146%0.46SS*.Hα-helixtrans-63-45.2178.1-180-104000112.2G111 A112 V113 L118 I119G111-F115 VanDerWaalsContact O-CB 3.31Å; G111-F115 WeakPolarHBondContact O-CB 3.47Å; G111-F115 PolarHBondContact O-N 3.02Å; A112-F115 PolarHBondContact O-N 3.41Å; V113-F115 VanDerWaalsContact C-N 3.35Å; V113-F115 PolarHBondContact O-N 2.92Å; F115-L118 WeakPolarHBondContact O-CB 2.97Å; F115-L118 PolarHBondContact O-N 2.93Å; F115-I119 HydrophobicContact CD1-CD1 3.8Å; F115-I119 HydrophobicContact CE1-CD1 3.32Å; F115-I119 HydrophobicContact CE1-CG1 4.31Å; F115-I119 HydrophobicContact CZ-CD1 3.74Å; F115-I119 HydrophobicContact CZ-CG1 4.39Å; F115-I119 WeakPolarHBondContact O-CG1 2.97Å; F115-I119 PolarHBondContact O-N 2.97Å; F115-I119 VanDerWaalsContact O-N 3.07Å
116V89.1Confident88.9Confident41 Ų4186.9 Ų86.925%0.24846%0.46CS..Hα-helixtrans-61-46175.9168.20000110.6T24 A112 V113 L118 I119 F120T24-V116 HydrophobicContact CG2-CG1 4.18Å; A112-V116 WeakPolarHBondContact O-CB 3.42Å; A112-V116 VanDerWaalsContact O-CG2 3.27Å; A112-V116 WeakPolarHBondContact O-CG2 3.41Å; A112-V116 PolarHBondContact O-N 3.09Å; V113-V116 PolarHBondContact O-N 3.21Å; V116-L118 VanDerWaalsContact C-N 3.31Å; V116-L118 PolarHBondContact O-N 3.18Å; V116-I119 WeakPolarHBondContact O-CB 3.46Å; V116-I119 PolarHBondContact O-N 3.46Å; V116-F120 HydrophobicContact CG1-CD2 3.68Å; V116-F120 HydrophobicContact CG1-CE2 3.35Å; V116-F120 WeakPolarHBondContact O-CD2 3.35Å; V116-F120 PolarHBondContact O-N 2.9Å; V116-F120 VanDerWaalsContact O-N 3.09Å
117A90.4Very high89.1Confident55 Ų5588.3 Ų88.346%0.45546%0.462SS..Hα-helixtrans-58.6-41.1176.700000112.2V113 V114 F120 A121V113-A117 WeakPolarHBondContact O-CB 3Å; V113-A117 PolarHBondContact O-N 3.22Å; V114-A117 PolarHBondContact O-N 3.08Å; A117-F120 PolarHBondContact O-N 3.49Å; A117-A121 WeakPolarHBondContact O-CB 3.39Å; A117-A121 PolarHBondContact O-N 3.39Å
118L94.5Very high88.9Confident106 Ų10684 Ų8456%0.55545%0.45SS*.Hα-helixtrans-62.6-42.6176.4-176.165.1000112.1V114 F115 V116 F120 A121 C122V114-L118 PolarHBondContact O-N 3.1Å; F115-L118 WeakPolarHBondContact O-CB 2.97Å; F115-L118 PolarHBondContact O-N 2.93Å; V116-L118 VanDerWaalsContact C-N 3.31Å; V116-L118 PolarHBondContact O-N 3.18Å; L118-F120 VanDerWaalsContact C-N 3.34Å; L118-F120 PolarHBondContact O-N 3.16Å; L118-A121 PolarHBondContact O-N 3.29Å; L118-C122 WeakPolarHBondContact O-CB 3.47Å; L118-C122 PolarHBondContact O-N 3.21Å; L118-C122 PolarHBondContact O-SG 3.3Å; L118-C122 VanDerWaalsContact O-SG 3.34Å
119I89.6Confident89.1Confident67 Ų6784.1 Ų84.134%0.34445%0.446SS..Hα-helixtrans-58.7-48.4175.6-69.9169.4000110.1F115 V116 A121 C122 L123F115-I119 HydrophobicContact CD1-CD1 3.8Å; F115-I119 HydrophobicContact CE1-CD1 3.32Å; F115-I119 HydrophobicContact CE1-CG1 4.31Å; F115-I119 HydrophobicContact CZ-CD1 3.74Å; F115-I119 HydrophobicContact CZ-CG1 4.39Å; F115-I119 WeakPolarHBondContact O-CG1 2.97Å; F115-I119 PolarHBondContact O-N 2.97Å; F115-I119 VanDerWaalsContact O-N 3.07Å; V116-I119 WeakPolarHBondContact O-CB 3.46Å; V116-I119 PolarHBondContact O-N 3.46Å; I119-A121 PolarHBondContact O-N 3.04Å; I119-C122 PolarHBondContact O-N 2.91Å; I119-L123 HydrophobicContact CG2-CD1 4.05Å; I119-L123 HydrophobicContact CG2-CG 4.46Å; I119-L123 WeakPolarHBondContact O-CG 3.46Å; I119-L123 PolarHBondContact O-N 3.44Å
120F88.2Confident88.8Confident64 Ų6483.3 Ų83.328%0.28144%0.444SS..Hα-helixtrans-61.8-43.7178.4-76.9-71.5000112.3L20 T24 V116 A117 L118 C122 L123 V124L20-F120 HydrophobicContact CB-CE1 3.52Å; L20-F120 HydrophobicContact CB-CZ 3.55Å; L20-F120 HydrophobicContact CD1-CD1 4.12Å; L20-F120 HydrophobicContact CD1-CE1 3.59Å; L20-F120 HydrophobicContact CD1-CZ 4.27Å; L20-F120 HydrophobicContact CD2-CE1 4.33Å; L20-F120 HydrophobicContact CD2-CZ 4.21Å; L20-F120 HydrophobicContact CG-CE1 4.01Å; L20-F120 HydrophobicContact CG-CZ 4.22Å; T24-F120 HydrophobicContact CG2-CE2 4.31Å; T24-F120 HydrophobicContact CG2-CZ 4.46Å; V116-F120 HydrophobicContact CG1-CD2 3.68Å; V116-F120 HydrophobicContact CG1-CE2 3.35Å; V116-F120 WeakPolarHBondContact O-CD2 3.35Å; V116-F120 PolarHBondContact O-N 2.9Å; V116-F120 VanDerWaalsContact O-N 3.09Å; A117-F120 PolarHBondContact O-N 3.49Å; L118-F120 VanDerWaalsContact C-N 3.34Å; L118-F120 PolarHBondContact O-N 3.16Å; F120-C122 PolarHBondContact O-N 2.01Å; F120-L123 PolarHBondContact O-N 3.45Å; F120-V124 WeakPolarHBondContact O-CG2 3.05Å; F120-V124 PolarHBondContact O-N 3.49Å
121A90.5Very high88.1Confident46 Ų4684.1 Ų84.138%0.3845%0.45SS..Hα-helixtrans-58.8-47176.700000111.5A117 L118 I119 L123 V124 I125A117-A121 WeakPolarHBondContact O-CB 3.39Å; A117-A121 PolarHBondContact O-N 3.39Å; L118-A121 PolarHBondContact O-N 3.29Å; I119-A121 PolarHBondContact O-N 3.04Å; A121-L123 PolarHBondContact O-N 3.41Å; A121-V124 PolarHBondContact O-N 3.12Å; A121-I125 VanDerWaalsContact O-CG1 3.31Å; A121-I125 WeakPolarHBondContact O-CG1 3.08Å; A121-I125 PolarHBondContact O-N 2.03Å
122C90.1Very high87.5Confident62 Ų6287.4 Ų87.442%0.41946%0.459SS..Hα-helixtrans-58.5-45.8176-74.20000112.3L118 I119 F120 V124 I125 I126L118-C122 WeakPolarHBondContact O-CB 3.47Å; L118-C122 PolarHBondContact O-N 3.21Å; L118-C122 PolarHBondContact O-SG 3.3Å; L118-C122 VanDerWaalsContact O-SG 3.34Å; I119-C122 PolarHBondContact O-N 2.91Å; F120-C122 PolarHBondContact O-N 2.01Å; C122-V124 VanDerWaalsContact C-N 3.34Å; C122-V124 PolarHBondContact O-N 3.14Å; C122-I125 PolarHBondContact O-N 3.12Å; C122-I126 VanDerWaalsContact O-CG1 3.27Å; C122-I126 WeakPolarHBondContact O-CG1 3.5Å; C122-I126 PolarHBondContact O-N 2.91Å
123L88.2Confident87Confident64 Ų6493.9 Ų93.934%0.33547%0.472SS..Hα-helixtrans-61.1-42.4177.9-71174000112.1L16 L20 I119 F120 A121 I126 R127L16-L123 HydrophobicContact CD2-CD1 4.28Å; L16-L123 HydrophobicContact CD2-CD2 4.29Å; L20-L123 HydrophobicContact CD1-CD1 3.68Å; I119-L123 HydrophobicContact CG2-CD1 4.05Å; I119-L123 HydrophobicContact CG2-CG 4.46Å; I119-L123 WeakPolarHBondContact O-CG 3.46Å; I119-L123 PolarHBondContact O-N 3.44Å; F120-L123 PolarHBondContact O-N 3.45Å; A121-L123 PolarHBondContact O-N 3.41Å; L123-I126 PolarHBondContact O-N 2.78Å; L123-R127 WeakPolarHBondContact O-CB 3.41Å; L123-R127 PolarHBondContact O-N 3.06Å
124V88.6Confident86.5Confident76 Ų7696 Ų9646%0.46148%0.475SS..Hα-helixtrans-63.4-46.2177.3170.40000110.9F120 A121 C122 I126 R127 Q128F120-V124 WeakPolarHBondContact O-CG2 3.05Å; F120-V124 PolarHBondContact O-N 3.49Å; A121-V124 PolarHBondContact O-N 3.12Å; C122-V124 VanDerWaalsContact C-N 3.34Å; C122-V124 PolarHBondContact O-N 3.14Å; V124-I126 PolarHBondContact O-N 3.24Å; V124-R127 PolarHBondContact O-N 3Å; V124-Q128 HydrophobicContact CG1-CG 4.39Å; V124-Q128 WeakPolarHBondContact O-CG 3.39Å; V124-Q128 PolarHBondContact O-N 3.23Å
125I89.4Confident85.6Confident74 Ų7494.4 Ų94.438%0.37947%0.471SS..Hα-helixtrans-61.4-45.3178.5-68.5165.8000111.1A121 C122 R127 Q128 R129A121-I125 VanDerWaalsContact O-CG1 3.31Å; A121-I125 WeakPolarHBondContact O-CG1 3.08Å; A121-I125 PolarHBondContact O-N 2.03Å; C122-I125 PolarHBondContact O-N 3.12Å; I125-R127 VanDerWaalsContact C-N 3.28Å; I125-R127 PolarHBondContact O-N 3.41Å; I125-Q128 PolarHBondContact O-N 3.03Å; I125-R129 HydrophobicContact CG2-CG 4.35Å; I125-R129 WeakPolarHBondContact O-CB 3.21Å; I125-R129 VanDerWaalsContact O-CG 3.32Å; I125-R129 WeakPolarHBondContact O-CG 3.4Å; I125-R129 PolarHBondContact O-N 2.84Å
126I84.1Confident84.3Confident96 Ų9693.8 Ų93.849%0.49247%0.474SS..Hα-helixtrans-59.7-43.9178.2-69.5164.9000110.1C122 L123 V124 R129 Q130C122-I126 VanDerWaalsContact O-CG1 3.27Å; C122-I126 WeakPolarHBondContact O-CG1 3.5Å; C122-I126 PolarHBondContact O-N 2.91Å; L123-I126 PolarHBondContact O-N 2.78Å; V124-I126 PolarHBondContact O-N 3.24Å; I126-R129 PolarHBondContact O-N 3.5Å; I126-Q130 WeakPolarHBondContact O-CG 3.49Å; I126-Q130 PolarHBondContact O-N 3.47Å
127R86.8Confident83.7Confident150 Ų15097.9 Ų97.957%0.56649%0.49SS*.Hα-helixtrans-65.5-42.7179-173.9176.4175.6142.6-1.6112.3L123 V124 I125 Q130 L131L123-R127 WeakPolarHBondContact O-CB 3.41Å; L123-R127 PolarHBondContact O-N 3.06Å; V124-R127 PolarHBondContact O-N 3Å; I125-R127 VanDerWaalsContact C-N 3.28Å; I125-R127 PolarHBondContact O-N 3.41Å; R127-Q130 PolarHBondContact O-N 3.1Å; R127-L131 PolarHBondContact O-N 2.02Å
128Q84.5Confident82.9Confident108 Ų108102.5 Ų102.551%0.50550%0.5SS..Hα-helixtrans-61.2-47.1175.1-75170.2-4.200110.8V124 I125 Q130 L131 D132V124-Q128 HydrophobicContact CG1-CG 4.39Å; V124-Q128 WeakPolarHBondContact O-CG 3.39Å; V124-Q128 PolarHBondContact O-N 3.23Å; I125-Q128 PolarHBondContact O-N 3.03Å; Q128-Q130 VanDerWaalsContact C-N 3.26Å; Q128-Q130 PolarHBondContact O-N 3.36Å; Q128-L131 WeakPolarHBondContact O-CA 3.46Å; Q128-L131 WeakPolarHBondContact O-CB 3.46Å; Q128-L131 PolarHBondContact O-N 3.2Å; Q128-D132 PolarHBondContact O-N 2.87Å
129R85.9Confident81.8Confident165 Ų165101.2 Ų101.262%0.62350%0.496SS*.Hα-helixtrans-58.8-35.5175.8-73.4178.5178.1-1771.1113.1I125 I126 L131 R133I125-R129 HydrophobicContact CG2-CG 4.35Å; I125-R129 WeakPolarHBondContact O-CB 3.21Å; I125-R129 VanDerWaalsContact O-CG 3.32Å; I125-R129 WeakPolarHBondContact O-CG 3.4Å; I125-R129 PolarHBondContact O-N 2.84Å; I126-R129 PolarHBondContact O-N 3.5Å; R129-L131 VanDerWaalsContact C-N 3.34Å; R129-R133 WeakPolarHBondContact O-CG 3.27Å; R129-R133 PolarHBondContact O-N 3.14Å
130Q79Confident80.8Confident112 Ų112106.5 Ų106.552%0.52351%0.512SS..Hα-helixtrans-67.3-35.2174.2-72.7-141.3-2.500112.8I126 R127 Q128 K134I126-Q130 WeakPolarHBondContact O-CG 3.49Å; I126-Q130 PolarHBondContact O-N 3.47Å; R127-Q130 PolarHBondContact O-N 3.1Å; Q128-Q130 VanDerWaalsContact C-N 3.26Å; Q128-Q130 PolarHBondContact O-N 3.36Å; Q130-K134 VanDerWaalsContact O-CG 3.29Å; Q130-K134 WeakPolarHBondContact O-CG 3.08Å; Q130-K134 PolarHBondContact O-N 3.04Å
131L77.8Confident80Confident105 Ų105111 Ų11155%0.5553%0.531SS..Hα-helixtrans-70.9-41.8175.7-69.4169.3000110.9R127 Q128 R129 K134 A135R127-L131 PolarHBondContact O-N 2.02Å; Q128-L131 WeakPolarHBondContact O-CA 3.46Å; Q128-L131 WeakPolarHBondContact O-CB 3.46Å; Q128-L131 PolarHBondContact O-N 3.2Å; R129-L131 VanDerWaalsContact C-N 3.34Å; L131-K134 PolarHBondContact O-N 3.4Å; L131-A135 WeakPolarHBondContact O-CB 3.48Å; L131-A135 PolarHBondContact O-N 3.03Å
132D77.3Confident78.8Confident108 Ų108115.1 Ų115.158%0.57854%0.542SS*.Hα-helixtrans-63.3-43.4177.9-70.8-19.2000112.2Q128 K134 A135 L136Q128-D132 PolarHBondContact O-N 2.87Å; D132-K134 VanDerWaalsContact C-N 3.31Å; D132-K134 PolarHBondContact O-N 3.44Å; D132-A135 PolarHBondContact O-N 3.3Å; D132-L136 WeakPolarHBondContact O-CB 3.24Å; D132-L136 PolarHBondContact O-N 3.07Å
133R79.2Confident78.1Confident187 Ų187117.9 Ų117.971%0.70655%0.552SS**Hα-helixtrans-59.6-42.6174.6-74.5-171.5-177.1-139.72.1111.9R129 L136 E137R129-R133 WeakPolarHBondContact O-CG 3.27Å; R129-R133 PolarHBondContact O-N 3.14Å; R133-L136 PolarHBondContact O-N 3.08Å; R133-E137 WeakPolarHBondContact O-CB 3.32Å; R133-E137 WeakPolarHBondContact O-CG 3.42Å; R133-E137 PolarHBondContact O-N 3.16Å
134K77.9Confident77Confident115 Ų115122.8 Ų122.850%0.557%0.573SS.*Hα-helixtrans-68.4-33.6177.7-72.5173.4-175.7172.10112.6Q130 L131 D132 K138Q130-K134 VanDerWaalsContact O-CG 3.29Å; Q130-K134 WeakPolarHBondContact O-CG 3.08Å; Q130-K134 PolarHBondContact O-N 3.04Å; L131-K134 PolarHBondContact O-N 3.4Å; D132-K134 VanDerWaalsContact C-N 3.31Å; D132-K134 PolarHBondContact O-N 3.44Å; K134-K138 WeakPolarHBondContact O-CG 3.34Å; K134-K138 PolarHBondContact O-N 2.91Å
135A74.4Confident75.7Confident53 Ų53123.8 Ų123.844%0.43858%0.583SS.*Hα-helixtrans-70.3-44.4175.600000111.1L131 D132 E137 K138 V139L131-A135 WeakPolarHBondContact O-CB 3.48Å; L131-A135 PolarHBondContact O-N 3.03Å; D132-A135 PolarHBondContact O-N 3.3Å; A135-E137 PolarHBondContact O-N 3.05Å; A135-K138 WeakPolarHBondContact O-CB 3.44Å; A135-K138 PolarHBondContact O-N 2.76Å; A135-K138 VanDerWaalsContact O-N 3.14Å; A135-V139 PolarHBondContact O-N 2.87Å; A135-V139 VanDerWaalsContact O-N 3.13Å
136L64.8Low74Confident116 Ų116129.9 Ų129.961%0.60762%0.615SS**Hα-helixtrans-68-36.6-179.1-155.7146.2000112D132 R133 K138 V139 R140D132-L136 WeakPolarHBondContact O-CB 3.24Å; D132-L136 PolarHBondContact O-N 3.07Å; R133-L136 PolarHBondContact O-N 3.08Å; L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 2.76Å; L136-V139 PolarHBondContact O-N 2.85Å; L136-R140 PolarHBondContact O-N 3.18Å
137E76Confident73.5Confident126 Ų126131.6 Ų131.659%0.58962%0.621SS**Hα-helixtrans-61.8-35.9170.8-79176-171.600113R133 A135 K141R133-E137 WeakPolarHBondContact O-CB 3.32Å; R133-E137 WeakPolarHBondContact O-CG 3.42Å; R133-E137 PolarHBondContact O-N 3.16Å; A135-E137 PolarHBondContact O-N 3.05Å; E137-K141 PolarHBondContact O-N 2.81Å
138K73.6Confident72.8Confident152 Ų152130.6 Ų130.666%0.66162%0.624SS**Hα-helixtrans-67.2-42175.6-73.8175.7-179.1-175.60111.6K134 A135 L136 Q142K134-K138 WeakPolarHBondContact O-CG 3.34Å; K134-K138 PolarHBondContact O-N 2.91Å; A135-K138 WeakPolarHBondContact O-CB 3.44Å; A135-K138 PolarHBondContact O-N 2.76Å; A135-K138 VanDerWaalsContact O-N 3.14Å; L136-K138 VanDerWaalsContact C-N 3.31Å; L136-K138 PolarHBondContact O-N 2.76Å; K138-Q142 PolarHBondContact O-N 2.92Å
139V70.9Confident72.2Confident80 Ų80131.8 Ų131.849%0.48563%0.63SS.*Hα-helixtrans-64.8-44.3176.7176.70000110.8A135 L136 K141 Q142 I143A135-V139 PolarHBondContact O-N 2.87Å; A135-V139 VanDerWaalsContact O-N 3.13Å; L136-V139 PolarHBondContact O-N 2.85Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 2.88Å; V139-Q142 WeakPolarHBondContact O-CB 3.38Å; V139-Q142 PolarHBondContact O-N 2.88Å; V139-I143 HydrophobicContact CG1-CD1 4.2Å; V139-I143 PolarHBondContact O-N 3.34Å
140R69.6Low71.3Confident178 Ų178129.9 Ų129.967%0.67263%0.631SS**Hα-helixtrans-60.3-41.4179.5-127.2-176.8-179.5175.1-0.1112.7L136 Q142 I143 E144L136-R140 PolarHBondContact O-N 3.18Å; R140-Q142 VanDerWaalsContact C-N 3.25Å; R140-Q142 PolarHBondContact O-N 3.07Å; R140-I143 PolarHBondContact O-N 2.98Å; R140-I143 VanDerWaalsContact O-N 3.11Å; R140-E144 PolarHBondContact O-N 2.75Å; R140-E144 VanDerWaalsContact O-N 3.15Å
141K72.4Confident70.9Confident157 Ų157131 Ų13168%0.68364%0.637SS**Hα-helixtrans-64.6-26.2175.4-78.8-173.5175.6-173.90114E137 V139 S145E137-K141 PolarHBondContact O-N 2.81Å; V139-K141 VanDerWaalsContact C-N 3.33Å; V139-K141 PolarHBondContact O-N 2.88Å; K141-S145 PolarHBondContact O-OG 3.1Å
142Q65.2Low70.4Confident133 Ų133132.7 Ų132.762%0.62164%0.643SS**Hα-helixtrans-74.9-27.5173.3-70.9-173.2-64.300112.6K138 V139 R140 S145 I146K138-Q142 PolarHBondContact O-N 2.92Å; V139-Q142 WeakPolarHBondContact O-CB 3.38Å; V139-Q142 PolarHBondContact O-N 2.88Å; R140-Q142 VanDerWaalsContact C-N 3.25Å; R140-Q142 PolarHBondContact O-N 3.07Å; Q142-S145 PolarHBondContact O-OG 2.92Å; Q142-I146 WeakPolarHBondContact O-CD1 3.42Å; Q142-I146 WeakPolarHBondContact O-CG1 3.46Å
143I73.7Confident69.9Low120 Ų120134.5 Ų134.562%0.61565%0.648SS**Hα-helixtrans-81-32.2179.5-58166.9000110.9V139 R140 S145V139-I143 HydrophobicContact CG1-CD1 4.2Å; V139-I143 PolarHBondContact O-N 3.34Å; R140-I143 PolarHBondContact O-N 2.98Å; R140-I143 VanDerWaalsContact O-N 3.11Å; I143-S145 VanDerWaalsContact C-N 3.33Å
144E65.4Low69.2Low168 Ų168130.5 Ų130.579%0.78564%0.643SS**THydrogen-bonded Turntrans-81.5-12.4-178.5-156.9167.3-152.500113.3R140R140-E144 PolarHBondContact O-N 2.75Å; R140-E144 VanDerWaalsContact O-N 3.15Å
145S61.3Low68.5Low96 Ų96131.8 Ų131.867%0.67166%0.655SS**THydrogen-bonded Turntrans-100.18.9177.473.80000114.2K141 Q142 I143K141-S145 PolarHBondContact O-OG 3.1Å; Q142-S145 PolarHBondContact O-OG 2.92Å; I143-S145 VanDerWaalsContact C-N 3.33Å
146I54.4Low67.9Low202 Ų202138.9 Ų138.9100%1.03668%0.675SS**  trans-1000176.1-69.3170.4000109.1Q142Q142-I146 WeakPolarHBondContact O-CD1 3.42Å; Q142-I146 WeakPolarHBondContact O-CG1 3.46Å

Retrieved 146 of 146 residues in 547.3 ms (Link to these results)