A0A093HUJ9_STRCA Loading...

DNA-binding protein inhibitor ID-2

AlphaFold DB , UniProt , Accession A0A093HUJ9, Species STRCA (Struthio camelus australis), Gene n/a, Length 134 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
1M46.5Very low54.5Low244 Ų244165.8 Ų165.8100%1.20287%0.871SS**  0123.30-61.316677.600107.7
2K48.4Very low53.8Low193 Ų193167.8 Ų167.884%0.83987%0.867SS**  trans-130.2119.8172.8-92.7156.768.7-175.90106.8
3A65.3Low52.6Low108 Ų108166.2 Ų166.289%0.89386%0.86SS**PPolyproline II helixtrans-84.9132.5178.300000109.3
4F55.3Low52.4Low193 Ų193161.3 Ų161.385%0.84685%0.848SS**PPolyproline II helixtrans-91.7124.8173.7-67.8-87.9000108.9P6F4-P6 WeakPolarHBondContact O-CD 3.44Å
5S49.1Very low51.8Low114 Ų114162.3 Ų162.380%0.79785%0.853SS**PPolyproline II helixtrans-77.6127.6169.7-85.80000110.7
6P61.4Low51.3Low130 Ų130157.6 Ų157.684%0.84484%0.838SS**PPolyproline II helixtrans-76130.3167.5-1732.5000111.3F4F4-P6 WeakPolarHBondContact O-CD 3.44Å
7V53.5Low51.2Low122 Ų122159.6 Ų159.674%0.73984%0.841SS**PPolyproline II helixtrans-100.6118.7174-1790000109.8
8R61.4Low51.1Low244 Ų244159.3 Ų159.392%0.92183%0.834SS**  trans61.8113.4156.3-67.1176.9-179.5-139.2-0.5118.8
9S52.6Low51Low124 Ų124158.6 Ų158.687%0.86783%0.831SS**  trans-115.8118.4156178.70000109.4
10V49.9Very low50.8Low132 Ų132157.5 Ų157.580%0.883%0.825SS**  trans-145.6122.9151.572.50000108.2
11R56.6Low50.7Low220 Ų220153.6 Ų153.683%0.8382%0.823SS**  trans-37.2155.3163.6-76.6172.2-97.6-154.4-8.3110
12K45Very low50.8Low190 Ų190148.4 Ų148.483%0.82680%0.799SS**  -169142.656-26.6-172.6173.3173.50110.7
13N38.2Very low50.9Low146 Ų146143.8 Ų143.878%0.78179%0.791SS**  trans60.6102.3136.4-149.173.3000121.1
14S49.7Very low50.4Low98 Ų98149.6 Ų149.669%0.68579%0.79SS**  trans35.395.4133.9-168.80000117.6
15L43.6Very low49.9Very low176 Ų176144.6 Ų144.692%0.92178%0.778SS**  trans-96.9106.9154.3-70.4176.2000107.7
16S44.5Very low49.8Very low87 Ų87148.1 Ų148.161%0.60878%0.78SS**  trans-55.4129.2177.430.10000111.7H18S16-H18 PolarHBondContact O-N 3.25Å; S16-H18 PolarHBondContact O-ND1 3.07Å
17E50Low49.3Very low192 Ų192145.7 Ų145.790%0.89776%0.762SS**  trans-47.4109.7154.2-70.8-157.397.500109.6
18H48.5Very low49.1Very low154 Ų154145.8 Ų145.871%0.71377%0.766SS**  trans-119.179.9156.559.2-80.5000107.2S16 L20S16-H18 PolarHBondContact O-N 3.25Å; S16-H18 PolarHBondContact O-ND1 3.07Å; H18-L20 PolarHBondContact O-N 3.18Å
19N49.8Very low48.7Very low147 Ų147139.6 Ų139.679%0.78676%0.755SS**  trans-62.193.4154-171.5-12.4000107.6
20L46.8Very low48.7Very low136 Ų136139.6 Ų139.671%0.71275%0.745SS**  trans-13488.6154.1-90.5140.2000104.5H18 I22H18-L20 PolarHBondContact O-N 3.18Å; L20-I22 HydrophobicContact CB-CG1 4.26Å; L20-I22 PolarHBondContact O-N 3.36Å
21G48.6Very low49.3Very low75 Ų75137.3 Ų137.377%0.77373%0.728SS**  trans-55.182.8155.500000108.8S23G21-S23 PolarHBondContact O-N 3.37Å; G21-S23 VanDerWaalsContact O-N 3.08Å
22I48.3Very low49.4Very low136 Ų136132.1 Ų132.170%0.69772%0.723SS**  trans-81.387.9161-58171.1000103.6L20 R24L20-I22 HydrophobicContact CB-CG1 4.26Å; L20-I22 PolarHBondContact O-N 3.36Å; I22-R24 PolarHBondContact O-N 3.32Å
23S50.9Low50.2Low96 Ų96128.7 Ų128.767%0.67171%0.711SS**  trans-38.4108.2157.7-171.70000107.2G21 S25G21-S23 PolarHBondContact O-N 3.37Å; G21-S23 VanDerWaalsContact O-N 3.08Å; S23-S25 PolarHBondContact O-N 3.38Å
24R53.6Low51.4Low230 Ų230124.6 Ų124.687%0.86869%0.694SS**  trans-7065.7168.5-84.3176.6155170.4-4.8107.5I22 K26I22-R24 PolarHBondContact O-N 3.32Å; R24-K26 PolarHBondContact O-N 3.44Å
25S45.5Very low52Low87 Ų87124 Ų12461%0.60868%0.682SS**  trans-69.983.8150.851.10000105.6S23 T27S23-S25 PolarHBondContact O-N 3.38Å; S25-T27 PolarHBondContact O-N 2.95Å
26K47.9Very low53Low189 Ų189119.4 Ų119.482%0.82266%0.659SS**  trans-58.689.5160.9-90.3-176169-172.40106.6R24R24-K26 PolarHBondContact O-N 3.44Å
27T49.6Very low54.5Low79 Ų79124.8 Ų124.849%0.48567%0.667SS.*  trans-69131.8156.1400000106.5S25 V29 D30S25-T27 PolarHBondContact O-N 2.95Å; T27-V29 PolarHBondContact O-N 2.99Å; T27-D30 PolarHBondContact OG1-OD2 3.42Å
28P50.4Low56.2Low124 Ų124118.9 Ų118.981%0.80564%0.641SS**THydrogen-bonded Turntrans-66.814.3-177.2-18.831.1000115.2
29V52.9Low58.3Low114 Ų114117.2 Ų117.269%0.69164%0.636SS**THydrogen-bonded Turntrans-107.7-6.5-160.9-55.60000114.3T27T27-V29 PolarHBondContact O-N 2.99Å
30D52.5Low60.3Low124 Ų124114.4 Ų114.466%0.66362%0.62SS**SBendtrans-113.99.6-166.4-63.4-72.3000115.8T27 P32T27-D30 PolarHBondContact OG1-OD2 3.42Å; D30-P32 WeakPolarHBondContact O-CD 3.46Å
31D61.7Low62.5Low83 Ų83110.6 Ų110.644%0.44460%0.601SS.*  trans-110.798.8168.6-174.446.6000109.8M33 S34D31-M33 PolarHBondContact O-N 3.49Å; D31-S34 WeakPolarHBondContact O-CB 3.34Å; D31-S34 PolarHBondContact O-N 3.48Å; D31-S34 PolarHBondContact OD2-N 3.01Å
32P59.9Low64.6Low112 Ų112108.3 Ų108.373%0.72757%0.573SS**THydrogen-bonded Turntrans-55.5-24178-23.632.2000112.9D30D30-P32 WeakPolarHBondContact O-CD 3.46Å
33M61Low66.8Low118 Ų118103.8 Ų103.858%0.58155%0.547SS*.THydrogen-bonded Turntrans-84.8-14.6178.1-62-63.3-77.900113.1D31 L35 L36D31-M33 PolarHBondContact O-N 3.49Å; M33-L35 PolarHBondContact O-N 3.46Å; M33-L36 HydrophobicContact CE-CD1 3.42Å; M33-L36 VanDerWaalsContact CE-CD1 3.42Å; M33-L36 WeakPolarHBondContact O-CB 3.25Å; M33-L36 PolarHBondContact O-N 3.41Å; M33-L36 HydrophobicContact SD-CD1 3.55Å; M33-L36 VanDerWaalsContact SD-CD1 3.55Å
34S64.1Low68.8Low59 Ų59102.4 Ų102.441%0.41354%0.537SS..G310 helixtrans-63.2-25176-177.70000111.8D31 L36 Y37D31-S34 WeakPolarHBondContact O-CB 3.34Å; D31-S34 PolarHBondContact O-N 3.48Å; D31-S34 PolarHBondContact OD2-N 3.01Å; S34-L36 PolarHBondContact O-N 3.33Å; S34-Y37 WeakPolarHBondContact O-CD2 3.47Å
35L61.7Low70.7Confident85 Ų8595.3 Ų95.345%0.44551%0.513SS..G310 helixtrans-64.8-20.8174.3-154.879.5000112.2M33 D41M33-L35 PolarHBondContact O-N 3.46Å; L35-D41 HydrophobicContact CD1-CB 4.4Å; L35-D41 HydrophobicContact CG-CB 3.94Å; L35-D41 WeakPolarHBondContact O-CB 3.32Å
36L65.7Low73.1Confident80 Ų8093.3 Ų93.342%0.41950%0.495SS..G310 helixtrans-88.3-5.2-173.8-56.4177.5000114.2M33 S34 N38 C42M33-L36 HydrophobicContact CE-CD1 3.42Å; M33-L36 VanDerWaalsContact CE-CD1 3.42Å; M33-L36 WeakPolarHBondContact O-CB 3.25Å; M33-L36 PolarHBondContact O-N 3.41Å; M33-L36 HydrophobicContact SD-CD1 3.55Å; M33-L36 VanDerWaalsContact SD-CD1 3.55Å; S34-L36 PolarHBondContact O-N 3.33Å; L36-N38 PolarHBondContact O-N 3.11Å; L36-C42 VanDerWaalsContact CD2-SG 3.56Å
37Y74.6Confident75.3Confident201 Ų20186.2 Ų86.279%0.78846%0.464SS*.G310 helixtrans-72.8-18.2175.2-67.9-65.9000112.7S34S34-Y37 WeakPolarHBondContact O-CD2 3.47Å
38N86.5Confident77.5Confident67 Ų6788.2 Ų88.236%0.35847%0.468SS..SBendtrans-108.6119.3173.7174.722.4000110.5L36 N40 D41 C42L36-N38 PolarHBondContact O-N 3.11Å; N38-N40 PolarHBondContact O-N 3.26Å; N38-N40 VanDerWaalsContact O-N 3.15Å; N38-N40 PolarHBondContact OD1-N 3.02Å; N38-D41 HydrophobicContact CB-CB 4.41Å; N38-D41 WeakPolarHBondContact CB-OD2 3.45Å; N38-D41 PolarHBondContact ND2-OD1 3.2Å; N38-D41 PolarHBondContact ND2-OD2 3.4Å; N38-D41 PolarHBondContact O-N 3.38Å; N38-D41 VanDerWaalsContact O-N 3.09Å; N38-C42 PolarHBondContact O-N 3.15Å
39M92.3Very high79.7Confident120 Ų12087 Ų8759%0.59145%0.454SS*.Hα-helixtrans-60.5-30.2-176.5-162.860.663.200113.1C42 Y43M39-C42 WeakPolarHBondContact O-CB 3.49Å; M39-Y43 HydrophobicContact CG-CD2 4.46Å; M39-Y43 HydrophobicContact CG-CE2 3.88Å; M39-Y43 WeakPolarHBondContact O-CD2 3.48Å; M39-Y43 PolarHBondContact O-N 3.33Å
40N92Very high81.8Confident87 Ų8781.8 Ų81.847%0.46542%0.423SS..Hα-helixtrans-73.4-29.1-179.8-64.2-37.5000112.7N38 Y43 S44 K61N38-N40 PolarHBondContact O-N 3.26Å; N38-N40 VanDerWaalsContact O-N 3.15Å; N38-N40 PolarHBondContact OD1-N 3.02Å; N40-Y43 PolarHBondContact O-N 3.33Å; N40-S44 PolarHBondContact O-N 3.22Å; N40-S44 VanDerWaalsContact O-N 3.11Å; N40-S44 PolarHBondContact O-OG 2.84Å; N40-S44 VanDerWaalsContact O-OG 3.06Å; N40-K61 PolarHBondContact OD1-NZ 2.93Å
41D91.9Very high83.8Confident56 Ų5681 Ų8130%0.29942%0.424SS..Hα-helixtrans-74.6-33.1178-59.5-21.2000110.2L35 N38 Y43 S44 K45L35-D41 HydrophobicContact CD1-CB 4.4Å; L35-D41 HydrophobicContact CG-CB 3.94Å; L35-D41 WeakPolarHBondContact O-CB 3.32Å; N38-D41 HydrophobicContact CB-CB 4.41Å; N38-D41 WeakPolarHBondContact CB-OD2 3.45Å; N38-D41 PolarHBondContact ND2-OD1 3.2Å; N38-D41 PolarHBondContact ND2-OD2 3.4Å; N38-D41 PolarHBondContact O-N 3.38Å; N38-D41 VanDerWaalsContact O-N 3.09Å; D41-Y43 PolarHBondContact O-N 3.46Å; D41-S44 WeakPolarHBondContact O-CB 3.33Å; D41-S44 PolarHBondContact O-N 3.03Å; D41-S44 VanDerWaalsContact O-N 3.17Å; D41-K45 PolarHBondContact O-N 3.26Å
42C93.6Very high85.4Confident27 Ų2780.2 Ų80.218%0.18243%0.425CS..Hα-helixtrans-55.7-49.3168.7-60.10000111.5L36 N38 M39 S44 K45 L46L36-C42 VanDerWaalsContact CD2-SG 3.56Å; N38-C42 PolarHBondContact O-N 3.15Å; M39-C42 WeakPolarHBondContact O-CB 3.49Å; C42-S44 VanDerWaalsContact C-N 3.29Å; C42-S44 PolarHBondContact O-N 3.1Å; C42-K45 PolarHBondContact O-N 2.99Å; C42-L46 VanDerWaalsContact O-CG 3.29Å; C42-L46 WeakPolarHBondContact O-CG 3.39Å; C42-L46 PolarHBondContact O-N 3.12Å
43Y94.4Very high87.1Confident42 Ų4275.2 Ų75.217%0.16539%0.393CS..Hα-helixtrans-62.3-36.6177.2-72.9-68.6000112.7M39 N40 D41 L46 K47 K61 I64 L65M39-Y43 HydrophobicContact CG-CD2 4.46Å; M39-Y43 HydrophobicContact CG-CE2 3.88Å; M39-Y43 WeakPolarHBondContact O-CD2 3.48Å; M39-Y43 PolarHBondContact O-N 3.33Å; N40-Y43 PolarHBondContact O-N 3.33Å; D41-Y43 PolarHBondContact O-N 3.46Å; Y43-L46 HydrophobicContact CD1-CD1 4.25Å; Y43-L46 PolarHBondContact O-N 3.4Å; Y43-K47 WeakPolarHBondContact O-CG 3.43Å; Y43-K47 PolarHBondContact O-N 3.36Å; Y43-K47 VanDerWaalsContact O-N 3.12Å; Y43-K61 HydrophobicContact CD1-CG 4.3Å; Y43-K61 HydrophobicContact CD2-CD 4.08Å; Y43-K61 HydrophobicContact CD2-CG 4.07Å; Y43-K61 HydrophobicContact CE1-CB 3.88Å; Y43-K61 HydrophobicContact CE1-CG 3.98Å; Y43-K61 HydrophobicContact CE2-CB 4.36Å; Y43-K61 HydrophobicContact CE2-CD 3.47Å; Y43-K61 VanDerWaalsContact CE2-CD 3.47Å; Y43-K61 HydrophobicContact CE2-CG 3.73Å; Y43-K61 HydrophobicContact CG-CG 4.35Å; Y43-I64 HydrophobicContact CD1-CB 4.23Å; Y43-I64 HydrophobicContact CD1-CD1 4.05Å; Y43-I64 HydrophobicContact CD1-CG2 3.86Å; Y43-I64 HydrophobicContact CE1-CG2 4.48Å; Y43-I64 HydrophobicContact CG-CD1 4.48Å; Y43-L65 HydrophobicContact CE1-CD2 4.17Å; Y43-L65 HydrophobicContact CE1-CG 4.21Å
44S92.8Very high88.7Confident66 Ų6672.4 Ų72.446%0.46238%0.383SS..Hα-helixtrans-64.8-42.3175.6-57.10000111.1N40 D41 C42 L46 K47 E48N40-S44 PolarHBondContact O-N 3.22Å; N40-S44 VanDerWaalsContact O-N 3.11Å; N40-S44 PolarHBondContact O-OG 2.84Å; N40-S44 VanDerWaalsContact O-OG 3.06Å; D41-S44 WeakPolarHBondContact O-CB 3.33Å; D41-S44 PolarHBondContact O-N 3.03Å; D41-S44 VanDerWaalsContact O-N 3.17Å; C42-S44 VanDerWaalsContact C-N 3.29Å; C42-S44 PolarHBondContact O-N 3.1Å; S44-L46 PolarHBondContact O-N 3.26Å; S44-K47 WeakPolarHBondContact O-CB 3.14Å; S44-K47 PolarHBondContact O-N 3.31Å; S44-E48 PolarHBondContact O-N 3.24Å
45K94.2Very high90Very high81 Ų8175.2 Ų75.235%0.35239%0.39SS..Hα-helixtrans-64.1-39.1175.1-167.571.2-159.41620112.4D41 C42 K47 E48 L49D41-K45 PolarHBondContact O-N 3.26Å; C42-K45 PolarHBondContact O-N 2.99Å; K45-K47 VanDerWaalsContact C-N 3.29Å; K45-K47 PolarHBondContact O-N 3.31Å; K45-E48 IonicContact NZ-OE2 2.75Å; K45-E48 PolarHBondContact NZ-OE2 2.75Å; K45-E48 WeakPolarHBondContact O-CB 3.35Å; K45-E48 PolarHBondContact O-N 2.93Å; K45-E48 VanDerWaalsContact O-N 3.1Å; K45-L49 HydrophobicContact CG-CD1 4.02Å; K45-L49 HydrophobicContact CG-CG 4.46Å; K45-L49 WeakPolarHBondContact O-CG 3.43Å; K45-L49 PolarHBondContact O-N 3.02Å; K45-L49 VanDerWaalsContact O-N 3.11Å
46L95.6Very high91.3Very high46 Ų4679.4 Ų79.424%0.24141%0.413CS..Hα-helixtrans-61.4-38.4175.6-67.1169.5000111.6C42 Y43 S44 E48 L49 V50 I64 V68C42-L46 VanDerWaalsContact O-CG 3.29Å; C42-L46 WeakPolarHBondContact O-CG 3.39Å; C42-L46 PolarHBondContact O-N 3.12Å; Y43-L46 HydrophobicContact CD1-CD1 4.25Å; Y43-L46 PolarHBondContact O-N 3.4Å; S44-L46 PolarHBondContact O-N 3.26Å; L46-E48 PolarHBondContact O-N 3.05Å; L46-L49 PolarHBondContact O-N 3.03Å; L46-V50 WeakPolarHBondContact O-CB 3.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.49Å; L46-V50 PolarHBondContact O-N 3.21Å; L46-I64 HydrophobicContact CB-CG2 3.91Å; L46-I64 HydrophobicContact CD1-CG2 4.08Å; L46-V68 HydrophobicContact CB-CG2 4.07Å; L46-V68 HydrophobicContact CD1-CG2 4.17Å; L46-V68 HydrophobicContact CD2-CG1 4.28Å; L46-V68 HydrophobicContact CD2-CG2 3.79Å; L46-V68 HydrophobicContact CG-CG2 4.21Å
47K94.8Very high92.5Very high40 Ų4082.4 Ų82.417%0.17442%0.422CS..Hα-helixtrans-64.6-25.5174.5-68.4-177.159.31760113.9Y43 S44 K45 I53 P54 Q55 K57 I64Y43-K47 WeakPolarHBondContact O-CG 3.43Å; Y43-K47 PolarHBondContact O-N 3.36Å; Y43-K47 VanDerWaalsContact O-N 3.12Å; S44-K47 WeakPolarHBondContact O-CB 3.14Å; S44-K47 PolarHBondContact O-N 3.31Å; K45-K47 VanDerWaalsContact C-N 3.29Å; K45-K47 PolarHBondContact O-N 3.31Å; K47-I53 HydrophobicContact CB-CG2 4.4Å; K47-I53 HydrophobicContact CG-CG2 3.81Å; K47-P54 WeakPolarHBondContact CE-O 3.22Å; K47-P54 PolarHBondContact NZ-O 3.02Å; K47-Q55 PolarHBondContact NZ-O 3.41Å; K47-Q55 PolarHBondContact O-NE2 2.87Å; K47-Q55 VanDerWaalsContact O-NE2 3.15Å; K47-K57 PolarHBondContact NZ-O 2.93Å; K47-I64 HydrophobicContact CD-CD1 4.24Å; K47-I64 HydrophobicContact CG-CD1 4.14Å; K47-I64 HydrophobicContact CG-CG1 4.48Å
48E94.9Very high93.3Very high121 Ų12182.4 Ų82.457%0.56543%0.426SS*.Hα-helixtrans-80-36.5174.8-66.7-180172.800112.2S44 K45 L46S44-E48 PolarHBondContact O-N 3.24Å; K45-E48 IonicContact NZ-OE2 2.75Å; K45-E48 PolarHBondContact NZ-OE2 2.75Å; K45-E48 WeakPolarHBondContact O-CB 3.35Å; K45-E48 PolarHBondContact O-N 2.93Å; K45-E48 VanDerWaalsContact O-N 3.1Å; L46-E48 PolarHBondContact O-N 3.05Å
49L95.9Very high93.7Very high98 Ų9880.2 Ų80.251%0.51342%0.415SS..Hα-helixtrans-85.2-27.2-172.6-67.2174.7000113.7K45 L46 P51 Y71K45-L49 HydrophobicContact CG-CD1 4.02Å; K45-L49 HydrophobicContact CG-CG 4.46Å; K45-L49 WeakPolarHBondContact O-CG 3.43Å; K45-L49 PolarHBondContact O-N 3.02Å; K45-L49 VanDerWaalsContact O-N 3.11Å; L46-L49 PolarHBondContact O-N 3.03Å; L49-P51 WeakPolarHBondContact O-CD 3.46Å; L49-Y71 WeakPolarHBondContact O-CE1 3.34Å
50V96.8Very high94Very high5 Ų577.4 Ų77.43%0.0341%0.408CS..  trans-99.9112.2-176-176.30000110.6L46 S52 I53 H67 V68 Y71L46-V50 WeakPolarHBondContact O-CB 3.26Å; L46-V50 WeakPolarHBondContact O-CG2 3.49Å; L46-V50 PolarHBondContact O-N 3.21Å; V50-S52 VanDerWaalsContact C-N 3.26Å; V50-S52 WeakPolarHBondContact CG1-OG 3.29Å; V50-S52 PolarHBondContact O-N 3.47Å; V50-I53 HydrophobicContact CB-CD1 3.61Å; V50-I53 HydrophobicContact CB-CG1 3.83Å; V50-I53 HydrophobicContact CG1-CD1 3.87Å; V50-I53 HydrophobicContact CG1-CG1 3.72Å; V50-I53 HydrophobicContact CG2-CD1 4.07Å; V50-I53 PolarHBondContact O-N 2.93Å; V50-H67 HydrophobicContact CG1-CB 4.11Å; V50-V68 HydrophobicContact CG2-CB 4.46Å; V50-V68 HydrophobicContact CG2-CG2 3.67Å; V50-Y71 HydrophobicContact CB-CD1 4.42Å; V50-Y71 HydrophobicContact CG1-CD1 4.38Å; V50-Y71 HydrophobicContact CG1-CG 4.18Å; V50-Y71 HydrophobicContact CG2-CD1 3.92Å; V50-Y71 HydrophobicContact CG2-CG 4.47Å
51P95.9Very high94.2Very high107 Ų10778.2 Ų78.270%0.69541%0.407SS*.THydrogen-bonded Turntrans-62.4-27.3-172.9-24.233.9000115.1L49 I53 Y71L49-P51 WeakPolarHBondContact O-CD 3.46Å; P51-I53 VanDerWaalsContact C-N 3.33Å; P51-Y71 HydrophobicContact CG-CE2 4.09Å
52S95Very high94.5Very high67 Ų6781.1 Ų81.147%0.46942%0.42SS..THydrogen-bonded Turntrans-78.5-13.7-177.356.40000113.7V50 P54 H67V50-S52 VanDerWaalsContact C-N 3.26Å; V50-S52 WeakPolarHBondContact CG1-OG 3.29Å; V50-S52 PolarHBondContact O-N 3.47Å; S52-P54 WeakPolarHBondContact O-CD 3.39Å; S52-H67 PolarHBondContact OG-ND1 3.08Å
53I96.2Very high94.6Very high7 Ų783.4 Ų83.44%0.03643%0.428CS..SBendtrans-87.9124.2-174.5-54.6179.3000111.2K47 V50 P51 Q55 V59 I64 H67 V68K47-I53 HydrophobicContact CB-CG2 4.4Å; K47-I53 HydrophobicContact CG-CG2 3.81Å; V50-I53 HydrophobicContact CB-CD1 3.61Å; V50-I53 HydrophobicContact CB-CG1 3.83Å; V50-I53 HydrophobicContact CG1-CD1 3.87Å; V50-I53 HydrophobicContact CG1-CG1 3.72Å; V50-I53 HydrophobicContact CG2-CD1 4.07Å; V50-I53 PolarHBondContact O-N 2.93Å; P51-I53 VanDerWaalsContact C-N 3.33Å; I53-Q55 PolarHBondContact O-N 3.36Å; I53-V59 HydrophobicContact CG2-CG1 4.34Å; I53-V59 HydrophobicContact CG2-CG2 4.14Å; I53-I64 HydrophobicContact CD1-CB 4.38Å; I53-I64 HydrophobicContact CD1-CG1 4.48Å; I53-I64 HydrophobicContact CD1-CG2 3.94Å; I53-I64 HydrophobicContact CG2-CG1 4.41Å; I53-H67 HydrophobicContact CD1-CB 3.72Å; I53-H67 HydrophobicContact CG1-CB 3.45Å; I53-H67 VanDerWaalsContact CG1-CB 3.45Å; I53-V68 HydrophobicContact CD1-CG2 4.46Å
54P94.1Very high94.8Very high59 Ų5981.7 Ų81.738%0.38342%0.422SS..  trans-63.9121.2176.3-22.933.4000113.2K47 S52 K57 V59K47-P54 WeakPolarHBondContact CE-O 3.22Å; K47-P54 PolarHBondContact NZ-O 3.02Å; S52-P54 WeakPolarHBondContact O-CD 3.39Å; P54-K57 HydrophobicContact CB-CB 4.2Å; P54-V59 HydrophobicContact CB-CG2 4.39Å; P54-V59 HydrophobicContact CG-CG2 4.46Å
55Q90.8Very high95Very high117 Ų11782 Ų8255%0.54742%0.418SS..THydrogen-bonded Turntrans-75.8-41.3-179.8-65.6-173.9-25.200112.8K47 I53 K57K47-Q55 PolarHBondContact NZ-O 3.41Å; K47-Q55 PolarHBondContact O-NE2 2.87Å; K47-Q55 VanDerWaalsContact O-NE2 3.15Å; I53-Q55 PolarHBondContact O-N 3.36Å; Q55-K57 VanDerWaalsContact C-N 3.27Å; Q55-K57 PolarHBondContact O-N 3.19Å
56N89.5Confident95.2Very high174 Ų17482.8 Ų82.893%0.9342%0.423SS*.THydrogen-bonded Turntrans-85.110.2-173.8-61.7-28.7000114.5
57K89.9Confident95.4Very high142 Ų14282.8 Ų82.862%0.61742%0.422SS*.SBendtrans-128.4153.8-179.6-179.1176.4162176.10111.1K47 P54 Q55 V59K47-K57 PolarHBondContact NZ-O 2.93Å; P54-K57 HydrophobicContact CB-CB 4.2Å; Q55-K57 VanDerWaalsContact C-N 3.27Å; Q55-K57 PolarHBondContact O-N 3.19Å; K57-V59 PolarHBondContact O-N 3.22Å
58K92.7Very high95.5Very high201 Ų20181.9 Ų81.987%0.87442%0.419SS*.  trans-72116.5166.9-65.8-170.6177.7-177.40109.2
59V94.8Very high95.7Very high22 Ų2280.9 Ų80.913%0.13342%0.417CS..  trans-113.7140176.5-1760000106.8I53 P54 K57 E63 I64I53-V59 HydrophobicContact CG2-CG1 4.34Å; I53-V59 HydrophobicContact CG2-CG2 4.14Å; P54-V59 HydrophobicContact CB-CG2 4.39Å; P54-V59 HydrophobicContact CG-CG2 4.46Å; K57-V59 PolarHBondContact O-N 3.22Å; V59-E63 HydrophobicContact CG1-CB 3.78Å; V59-E63 HydrophobicContact CG1-CG 3.62Å; V59-I64 HydrophobicContact CB-CD1 4.43Å; V59-I64 HydrophobicContact CB-CG1 4.08Å; V59-I64 HydrophobicContact CG1-CG1 3.73Å
60S97.3Very high95.8Very high61 Ų6180.4 Ų80.443%0.42742%0.415SS..  trans-69.9154.3-179.874.40000111.1M62 E63 I64S60-M62 PolarHBondContact O-N 3.12Å; S60-E63 PolarHBondContact O-N 3.35Å; S60-E63 WeakPolarHBondContact OG-CB 3.19Å; S60-E63 PolarHBondContact OG-N 3.05Å; S60-E63 VanDerWaalsContact OG-N 3.12Å; S60-I64 WeakPolarHBondContact O-CG1 3.32Å; S60-I64 PolarHBondContact O-N 3.24Å
61K96.4Very high95.8Very high103 Ų10383.8 Ų83.845%0.44843%0.428SS..Hα-helixtrans-57-38.2175.9-71.5-177.6173.6-175.10111.8N40 Y43 L65N40-K61 PolarHBondContact OD1-NZ 2.93Å; Y43-K61 HydrophobicContact CD1-CG 4.3Å; Y43-K61 HydrophobicContact CD2-CD 4.08Å; Y43-K61 HydrophobicContact CD2-CG 4.07Å; Y43-K61 HydrophobicContact CE1-CB 3.88Å; Y43-K61 HydrophobicContact CE1-CG 3.98Å; Y43-K61 HydrophobicContact CE2-CB 4.36Å; Y43-K61 HydrophobicContact CE2-CD 3.47Å; Y43-K61 VanDerWaalsContact CE2-CD 3.47Å; Y43-K61 HydrophobicContact CE2-CG 3.73Å; Y43-K61 HydrophobicContact CG-CG 4.35Å; K61-L65 VanDerWaalsContact O-CG 3.3Å; K61-L65 WeakPolarHBondContact O-CG 3.48Å; K61-L65 PolarHBondContact O-N 3.12Å; K61-L65 VanDerWaalsContact O-N 3.11Å
62M98Very high95.9Very high118 Ų11882.7 Ų82.758%0.58142%0.415SS*.Hα-helixtrans-64.5-48.1177.9-177.662.8-171.900111.8S60 I64 L65 Q66S60-M62 PolarHBondContact O-N 3.12Å; M62-I64 VanDerWaalsContact C-N 3.32Å; M62-I64 PolarHBondContact O-N 3.4Å; M62-L65 WeakPolarHBondContact O-CB 3.34Å; M62-L65 PolarHBondContact O-N 3.03Å; M62-L65 VanDerWaalsContact O-N 3.08Å; M62-Q66 HydrophobicContact CE-CG 4.13Å; M62-Q66 WeakPolarHBondContact O-CG 3.39Å; M62-Q66 PolarHBondContact O-N 3.06Å
63E97.6Very high96Very high74 Ų7483.5 Ų83.535%0.34641%0.413SS..Hα-helixtrans-63.8-38.1179.6-174.7-179.8172.600111.4V59 S60 L65 Q66 H67V59-E63 HydrophobicContact CG1-CB 3.78Å; V59-E63 HydrophobicContact CG1-CG 3.62Å; S60-E63 PolarHBondContact O-N 3.35Å; S60-E63 WeakPolarHBondContact OG-CB 3.19Å; S60-E63 PolarHBondContact OG-N 3.05Å; S60-E63 VanDerWaalsContact OG-N 3.12Å; E63-L65 VanDerWaalsContact C-N 3.35Å; E63-L65 PolarHBondContact O-N 3.06Å; E63-Q66 PolarHBondContact O-N 3.11Å; E63-H67 PolarHBondContact O-CD2 3.46Å; E63-H67 PolarHBondContact O-N 3.34Å; E63-H67 VanDerWaalsContact O-N 3.12Å
64I97.3Very high96Very high7 Ų788 Ų884%0.03644%0.438CS..Hα-helixtrans-58.5-46.8170.7-67.1168.7000110.8Y43 L46 K47 I53 V59 S60 M62 Q66 H67 V68Y43-I64 HydrophobicContact CD1-CB 4.23Å; Y43-I64 HydrophobicContact CD1-CD1 4.05Å; Y43-I64 HydrophobicContact CD1-CG2 3.86Å; Y43-I64 HydrophobicContact CE1-CG2 4.48Å; Y43-I64 HydrophobicContact CG-CD1 4.48Å; L46-I64 HydrophobicContact CB-CG2 3.91Å; L46-I64 HydrophobicContact CD1-CG2 4.08Å; K47-I64 HydrophobicContact CD-CD1 4.24Å; K47-I64 HydrophobicContact CG-CD1 4.14Å; K47-I64 HydrophobicContact CG-CG1 4.48Å; I53-I64 HydrophobicContact CD1-CB 4.38Å; I53-I64 HydrophobicContact CD1-CG1 4.48Å; I53-I64 HydrophobicContact CD1-CG2 3.94Å; I53-I64 HydrophobicContact CG2-CG1 4.41Å; V59-I64 HydrophobicContact CB-CD1 4.43Å; V59-I64 HydrophobicContact CB-CG1 4.08Å; V59-I64 HydrophobicContact CG1-CG1 3.73Å; S60-I64 WeakPolarHBondContact O-CG1 3.32Å; S60-I64 PolarHBondContact O-N 3.24Å; M62-I64 VanDerWaalsContact C-N 3.32Å; M62-I64 PolarHBondContact O-N 3.4Å; I64-Q66 VanDerWaalsContact C-N 3.33Å; I64-Q66 PolarHBondContact O-N 3.44Å; I64-H67 PolarHBondContact O-N 2.99Å; I64-V68 HydrophobicContact CG2-CG2 4.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.48Å; I64-V68 PolarHBondContact O-N 3.11Å
65L98.2Very high96.1Very high73 Ų7388.6 Ų88.638%0.38244%0.437SS..Hα-helixtrans-64.2-37.1-179.3-68.4175.1000112.4Y43 K61 M62 E63 V68 I69Y43-L65 HydrophobicContact CE1-CD2 4.17Å; Y43-L65 HydrophobicContact CE1-CG 4.21Å; K61-L65 VanDerWaalsContact O-CG 3.3Å; K61-L65 WeakPolarHBondContact O-CG 3.48Å; K61-L65 PolarHBondContact O-N 3.12Å; K61-L65 VanDerWaalsContact O-N 3.11Å; M62-L65 WeakPolarHBondContact O-CB 3.34Å; M62-L65 PolarHBondContact O-N 3.03Å; M62-L65 VanDerWaalsContact O-N 3.08Å; E63-L65 VanDerWaalsContact C-N 3.35Å; E63-L65 PolarHBondContact O-N 3.06Å; L65-V68 PolarHBondContact O-N 3.43Å; L65-I69 WeakPolarHBondContact O-CG1 3.39Å; L65-I69 PolarHBondContact O-N 3.1Å
66Q98.4Very high96.2Very high96 Ų9688.4 Ų88.445%0.44944%0.436SS..Hα-helixtrans-61.9-51.2175.7-71.1175.2-44.600111.4M62 E63 I64 V68 I69 D70M62-Q66 HydrophobicContact CE-CG 4.13Å; M62-Q66 WeakPolarHBondContact O-CG 3.39Å; M62-Q66 PolarHBondContact O-N 3.06Å; E63-Q66 PolarHBondContact O-N 3.11Å; I64-Q66 VanDerWaalsContact C-N 3.33Å; I64-Q66 PolarHBondContact O-N 3.44Å; Q66-V68 PolarHBondContact O-N 2.98Å; Q66-I69 PolarHBondContact O-N 3.28Å; Q66-I69 VanDerWaalsContact O-N 3.1Å; Q66-D70 PolarHBondContact O-N 3.12Å
67H98.2Very high96.4Very high47 Ų4785.8 Ų85.822%0.21842%0.421CS..Hα-helixtrans-59.8-33.7177-74.5-61.1000113.3V50 S52 I53 E63 I64 Y71V50-H67 HydrophobicContact CG1-CB 4.11Å; S52-H67 PolarHBondContact OG-ND1 3.08Å; I53-H67 HydrophobicContact CD1-CB 3.72Å; I53-H67 HydrophobicContact CG1-CB 3.45Å; I53-H67 VanDerWaalsContact CG1-CB 3.45Å; E63-H67 PolarHBondContact O-CD2 3.46Å; E63-H67 PolarHBondContact O-N 3.34Å; E63-H67 VanDerWaalsContact O-N 3.12Å; I64-H67 PolarHBondContact O-N 2.99Å; H67-Y71 WeakPolarHBondContact O-CB 3.4Å; H67-Y71 PolarHBondContact O-N 3.37Å
68V98.1Very high96.5Very high21 Ų2181.9 Ų81.913%0.12742%0.415CS..Hα-helixtrans-68.1-41.3175.9171.20000111.5L46 V50 I53 I64 L65 Q66 Y71 I72L46-V68 HydrophobicContact CB-CG2 4.07Å; L46-V68 HydrophobicContact CD1-CG2 4.17Å; L46-V68 HydrophobicContact CD2-CG1 4.28Å; L46-V68 HydrophobicContact CD2-CG2 3.79Å; L46-V68 HydrophobicContact CG-CG2 4.21Å; V50-V68 HydrophobicContact CG2-CB 4.46Å; V50-V68 HydrophobicContact CG2-CG2 3.67Å; I53-V68 HydrophobicContact CD1-CG2 4.46Å; I64-V68 HydrophobicContact CG2-CG2 4.31Å; I64-V68 WeakPolarHBondContact O-CG2 3.48Å; I64-V68 PolarHBondContact O-N 3.11Å; L65-V68 PolarHBondContact O-N 3.43Å; Q66-V68 PolarHBondContact O-N 2.98Å; V68-Y71 PolarHBondContact O-N 3.38Å; V68-I72 HydrophobicContact CG1-CD1 3.85Å; V68-I72 VanDerWaalsContact O-CG1 3.29Å; V68-I72 WeakPolarHBondContact O-CG1 3.29Å; V68-I72 PolarHBondContact O-N 3.23Å
69I98.2Very high96.4Very high100 Ų10076.1 Ų76.151%0.51339%0.393SS..Hα-helixtrans-61.1-50.7176.6-69.4163.1000109.6L65 Q66 Y71 I72 L73L65-I69 WeakPolarHBondContact O-CG1 3.39Å; L65-I69 PolarHBondContact O-N 3.1Å; Q66-I69 PolarHBondContact O-N 3.28Å; Q66-I69 VanDerWaalsContact O-N 3.1Å; I69-Y71 VanDerWaalsContact C-N 3.32Å; I69-Y71 PolarHBondContact O-N 3.46Å; I69-I72 PolarHBondContact O-N 3.17Å; I69-L73 HydrophobicContact CG2-CD1 3.93Å; I69-L73 HydrophobicContact CG2-CG 4.47Å; I69-L73 WeakPolarHBondContact O-CG 3.18Å; I69-L73 PolarHBondContact O-N 2.81Å
70D98Very high95.9Very high88 Ų8881.8 Ų81.847%0.47142%0.423SS..Hα-helixtrans-58.5-45.5180-64.6-23.2000111.2Q66 I72 L73 D74Q66-D70 PolarHBondContact O-N 3.12Å; D70-I72 PolarHBondContact O-N 3.41Å; D70-L73 PolarHBondContact O-N 3.41Å; D70-D74 PolarHBondContact O-N 3.38Å
71Y98.3Very high95.1Very high76 Ų7683 Ų8330%0.29843%0.431SS..Hα-helixtrans-63.8-38.5179.5-176.5-126.8000113.2L49 V50 P51 H67 V68 I69 L75L49-Y71 WeakPolarHBondContact O-CE1 3.34Å; V50-Y71 HydrophobicContact CB-CD1 4.42Å; V50-Y71 HydrophobicContact CG1-CD1 4.38Å; V50-Y71 HydrophobicContact CG1-CG 4.18Å; V50-Y71 HydrophobicContact CG2-CD1 3.92Å; V50-Y71 HydrophobicContact CG2-CG 4.47Å; P51-Y71 HydrophobicContact CG-CE2 4.09Å; H67-Y71 WeakPolarHBondContact O-CB 3.4Å; H67-Y71 PolarHBondContact O-N 3.37Å; V68-Y71 PolarHBondContact O-N 3.38Å; I69-Y71 VanDerWaalsContact C-N 3.32Å; I69-Y71 PolarHBondContact O-N 3.46Å; Y71-L75 HydrophobicContact CD1-CD1 4.03Å; Y71-L75 HydrophobicContact CD2-CD1 4.39Å; Y71-L75 HydrophobicContact CD2-CG 4.22Å; Y71-L75 HydrophobicContact CE1-CD1 3.63Å; Y71-L75 HydrophobicContact CE1-CG 4.43Å; Y71-L75 HydrophobicContact CE2-CD1 3.99Å; Y71-L75 HydrophobicContact CE2-CD2 4.05Å; Y71-L75 HydrophobicContact CE2-CG 3.9Å; Y71-L75 HydrophobicContact CG-CD1 4.41Å; Y71-L75 WeakPolarHBondContact O-CB 3.44Å; Y71-L75 VanDerWaalsContact O-CG 3.25Å; Y71-L75 WeakPolarHBondContact O-CG 3.48Å; Y71-L75 PolarHBondContact O-N 3.15Å
72I97.7Very high93.9Very high83 Ų8383.4 Ų83.443%0.42644%0.435SS..Hα-helixtrans-65-43.1175.6-70.7168000110.5V68 I69 D70 L75 Q76V68-I72 HydrophobicContact CG1-CD1 3.85Å; V68-I72 VanDerWaalsContact O-CG1 3.29Å; V68-I72 WeakPolarHBondContact O-CG1 3.29Å; V68-I72 PolarHBondContact O-N 3.23Å; I69-I72 PolarHBondContact O-N 3.17Å; D70-I72 PolarHBondContact O-N 3.41Å; I72-L75 PolarHBondContact O-N 3.23Å; I72-Q76 HydrophobicContact CG2-CG 4.4Å; I72-Q76 WeakPolarHBondContact O-CB 3.32Å; I72-Q76 VanDerWaalsContact O-CG 3.26Å; I72-Q76 WeakPolarHBondContact O-CG 3.4Å; I72-Q76 PolarHBondContact O-N 2.82Å
73L97.1Very high92.1Very high84 Ų8482.2 Ų82.244%0.4444%0.436SS..Hα-helixtrans-63.3-44.4178.9-67.1171.9000111.2I69 D70 L75 Q76 I77I69-L73 HydrophobicContact CG2-CD1 3.93Å; I69-L73 HydrophobicContact CG2-CG 4.47Å; I69-L73 WeakPolarHBondContact O-CG 3.18Å; I69-L73 PolarHBondContact O-N 2.81Å; D70-L73 PolarHBondContact O-N 3.41Å; L73-L75 PolarHBondContact O-N 3.23Å; L73-Q76 WeakPolarHBondContact O-CB 3.08Å; L73-Q76 PolarHBondContact O-N 3.15Å; L73-I77 WeakPolarHBondContact O-CG1 3.43Å; L73-I77 PolarHBondContact O-N 3.04Å
74D95.8Very high90.3Very high102 Ų10282.8 Ų82.855%0.54545%0.448SS..Hα-helixtrans-61.4-45.2176.9-73.1-15.8000111.9D70 Q76 I77 A78D70-D74 PolarHBondContact O-N 3.38Å; D74-Q76 VanDerWaalsContact C-N 3.32Å; D74-Q76 PolarHBondContact O-N 3.39Å; D74-I77 PolarHBondContact O-N 3.09Å; D74-A78 WeakPolarHBondContact O-CB 3.42Å; D74-A78 PolarHBondContact O-N 3.05Å
75L95.6Very high88.5Confident71 Ų7187.4 Ų87.437%0.37247%0.472SS..Hα-helixtrans-63.2-38.7176.4-73.4178.5000112.1Y71 I72 L73 A78 L79Y71-L75 HydrophobicContact CD1-CD1 4.03Å; Y71-L75 HydrophobicContact CD2-CD1 4.39Å; Y71-L75 HydrophobicContact CD2-CG 4.22Å; Y71-L75 HydrophobicContact CE1-CD1 3.63Å; Y71-L75 HydrophobicContact CE1-CG 4.43Å; Y71-L75 HydrophobicContact CE2-CD1 3.99Å; Y71-L75 HydrophobicContact CE2-CD2 4.05Å; Y71-L75 HydrophobicContact CE2-CG 3.9Å; Y71-L75 HydrophobicContact CG-CD1 4.41Å; Y71-L75 WeakPolarHBondContact O-CB 3.44Å; Y71-L75 VanDerWaalsContact O-CG 3.25Å; Y71-L75 WeakPolarHBondContact O-CG 3.48Å; Y71-L75 PolarHBondContact O-N 3.15Å; I72-L75 PolarHBondContact O-N 3.23Å; L73-L75 PolarHBondContact O-N 3.23Å; L75-A78 PolarHBondContact O-N 2.75Å; L75-L79 WeakPolarHBondContact O-CB 3.45Å; L75-L79 VanDerWaalsContact O-CG 3.22Å; L75-L79 WeakPolarHBondContact O-CG 3.19Å; L75-L79 PolarHBondContact O-N 2.95Å
76Q93.4Very high86.5Confident113 Ų11387.4 Ų87.453%0.52848%0.475SS..Hα-helixtrans-61.9-45.4176.5-77.7175.2-13.500111.3I72 L73 D74 L79 D80I72-Q76 HydrophobicContact CG2-CG 4.4Å; I72-Q76 WeakPolarHBondContact O-CB 3.32Å; I72-Q76 VanDerWaalsContact O-CG 3.26Å; I72-Q76 WeakPolarHBondContact O-CG 3.4Å; I72-Q76 PolarHBondContact O-N 2.82Å; L73-Q76 WeakPolarHBondContact O-CB 3.08Å; L73-Q76 PolarHBondContact O-N 3.15Å; D74-Q76 VanDerWaalsContact C-N 3.32Å; D74-Q76 PolarHBondContact O-N 3.39Å; Q76-L79 PolarHBondContact O-N 3.4Å; Q76-D80 WeakPolarHBondContact O-CB 3.3Å; Q76-D80 PolarHBondContact O-N 3.34Å
77I93.1Very high84.4Confident120 Ų12087 Ų8762%0.61548%0.483SS*.Hα-helixtrans-62.8-44.8177.6-64161.7000110.8L73 D74 L79 D80 S81L73-I77 WeakPolarHBondContact O-CG1 3.43Å; L73-I77 PolarHBondContact O-N 3.04Å; D74-I77 PolarHBondContact O-N 3.09Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.37Å; I77-D80 PolarHBondContact O-N 3.44Å; I77-S81 PolarHBondContact O-N 2.84Å
78A92.2Very high82.3Confident59 Ų5992.3 Ų92.349%0.48851%0.511SS..Hα-helixtrans-63.3-38.9179.700000112.5D74 L75D74-A78 WeakPolarHBondContact O-CB 3.42Å; D74-A78 PolarHBondContact O-N 3.05Å; L75-A78 PolarHBondContact O-N 2.75Å
79L90.7Very high80.1Confident80 Ų8099 Ų9942%0.41954%0.541SS..Hα-helixtrans-76.5-36.7179.6-71.2171.9000113.1L75 Q76 I77 S81 H82L75-L79 WeakPolarHBondContact O-CB 3.45Å; L75-L79 VanDerWaalsContact O-CG 3.22Å; L75-L79 WeakPolarHBondContact O-CG 3.19Å; L75-L79 PolarHBondContact O-N 2.95Å; Q76-L79 PolarHBondContact O-N 3.4Å; I77-L79 VanDerWaalsContact C-N 3.33Å; I77-L79 PolarHBondContact O-N 3.37Å; L79-S81 PolarHBondContact O-N 2.86Å; L79-H82 CarbonylContact O-C 3.34Å; L79-H82 PolarHBondContact O-N 3.02Å
80D85.4Confident77.7Confident142 Ų142100.5 Ų100.576%0.75955%0.546SS*.Hα-helixtrans-64.4-31.3178.6-16442.9000111.8Q76 I77 H82Q76-D80 WeakPolarHBondContact O-CB 3.3Å; Q76-D80 PolarHBondContact O-N 3.34Å; I77-D80 PolarHBondContact O-N 3.44Å; D80-H82 VanDerWaalsContact C-N 3.27Å; D80-H82 PolarHBondContact O-N 3.21Å
81S78.9Confident74.8Confident85 Ų85105.1 Ų105.159%0.59456%0.564SS**THydrogen-bonded Turntrans-68.1-22.3173.8-164.70000113.6I77 L79I77-S81 PolarHBondContact O-N 2.84Å; L79-S81 PolarHBondContact O-N 2.86Å
82H70.8Confident72.2Confident112 Ų112109.6 Ų109.652%0.51958%0.581SS.*  trans-13171-174.4-67-7.5000112.3L79 D80 S84 I85L79-H82 CarbonylContact O-C 3.34Å; L79-H82 PolarHBondContact O-N 3.02Å; D80-H82 VanDerWaalsContact C-N 3.27Å; D80-H82 PolarHBondContact O-N 3.21Å; H82-S84 PolarHBondContact O-N 2.96Å; H82-I85 HydrophobicContact CB-CD1 4.49Å; H82-I85 PolarHBondContact O-N 2.96Å
83P60.7Low69.4Low93 Ų93111.9 Ų111.960%0.60460%0.601SS**THydrogen-bonded Turntrans-64.3-16.3-171.124.7-34.8000114.8I85P83-I85 VanDerWaalsContact C-N 3.28Å; P83-I85 PolarHBondContact O-N 3.37Å
84S59.3Low67Low86 Ų86111.3 Ų111.360%0.60162%0.616SS**Hα-helixtrans-67.6-22.3178.946.70000114.1H82H82-S84 PolarHBondContact O-N 2.96Å
85I59.9Low64.7Low105 Ų105112.3 Ų112.354%0.53862%0.617SS.*Hα-helixtrans-78.6-33-179.5-60.8-176.2000111.6H82 P83H82-I85 HydrophobicContact CB-CD1 4.49Å; H82-I85 PolarHBondContact O-N 2.96Å; P83-I85 VanDerWaalsContact C-N 3.28Å; P83-I85 PolarHBondContact O-N 3.37Å
86V57.2Low62.2Low73 Ų73115.7 Ų115.744%0.44264%0.635SS.*Hα-helixtrans-76.6-32-178.2-1770000112.1L88V86-L88 VanDerWaalsContact C-N 3.33Å; V86-L88 PolarHBondContact O-N 3.38Å
87S54.6Low60.1Low88 Ų88116.2 Ų116.262%0.61565%0.648SS**Hα-helixtrans-69-24.2179.7-86.50000114.3H89S87-H89 VanDerWaalsContact C-N 3.31Å; S87-H89 PolarHBondContact O-N 3.28Å
88L53.8Low57.9Low157 Ų157115.1 Ų115.182%0.82265%0.652SS**THydrogen-bonded Turntrans-73.4-19.2-178.7-73.8176000113.8V86V86-L88 VanDerWaalsContact C-N 3.33Å; V86-L88 PolarHBondContact O-N 3.38Å
89H50.6Low56Low163 Ų163118 Ų11876%0.75567%0.668SS**THydrogen-bonded Turntrans-97.9-2.2-177.2-164-109.4000114.6S87S87-H89 VanDerWaalsContact C-N 3.31Å; S87-H89 PolarHBondContact O-N 3.28Å
90H47.7Very low54.3Low131 Ų131125 Ų12561%0.60669%0.689SS**  trans-121.513.5-173.7-7496.2000116.5R92H90-R92 PolarHBondContact O-N 3.42Å
91Q38Very low52.8Low185 Ų185123.4 Ų123.486%0.86469%0.685SS**  trans-76.870.1166.9-72.3-138.364.900111.4
92R44.3Very low51.8Low170 Ų170122.8 Ų122.864%0.64268%0.679SS**  trans-84.7118.5153.7-174.2-173.4-76-165.7-2.4106.8H90 G94H90-R92 PolarHBondContact O-N 3.42Å; R92-G94 PolarHBondContact O-N 3.1Å; R92-G94 VanDerWaalsContact O-N 3.1Å
93P37.5Very low50.9Low130 Ų130125 Ų12584%0.84469%0.694SS**THydrogen-bonded Turntrans-63.1116.2173.5-12.525.8000108.5
94G48.4Very low50.9Low73 Ų73125 Ų12575%0.75369%0.692SS**THydrogen-bonded Turntrans110.317.7168.500000118R92R92-G94 PolarHBondContact O-N 3.1Å; R92-G94 VanDerWaalsContact O-N 3.1Å
95Q46.4Very low50.8Low123 Ų123123.7 Ų123.758%0.57568%0.68SS**  trans-94.5103.3167.1-84.7-179.8-26.700111.2
96N44.2Very low51Low141 Ų141124.2 Ų124.275%0.75468%0.683SS**  trans-52135.5160.9-65-19.1000108.7S98N96-S98 PolarHBondContact O-N 2.7Å
97P48.9Very low51.1Low124 Ų124126.1 Ų126.181%0.80569%0.691SS**  trans-68.689.9173.829.8-31.6000106.9S99P97-S99 PolarHBondContact O-N 2.77Å; P97-S99 VanDerWaalsContact O-N 3.13Å
98S47.4Very low51.7Low98 Ų98125.4 Ų125.469%0.68568%0.683SS**  trans-63117.4166.820.50000105.7N96 R100N96-S98 PolarHBondContact O-N 2.7Å; S98-R100 PolarHBondContact O-N 3.17Å
99S50.9Low52Low119 Ų119121.5 Ų121.583%0.83266%0.663SS**  trans-50.178.6178.3-39.60000111.2P97 T101P97-S99 PolarHBondContact O-N 2.77Å; P97-S99 VanDerWaalsContact O-N 3.13Å; S99-T101 PolarHBondContact O-N 3.45Å; S99-T101 VanDerWaalsContact O-N 3.17Å
100R55.3Low52.7Low227 Ų227119.3 Ų119.386%0.85766%0.656SS**  trans-76.299.4161.7-69.8-164.9175.6-151.7-0.9105S98S98-R100 PolarHBondContact O-N 3.17Å
101T54.2Low53.3Low109 Ų109116.3 Ų116.367%0.66965%0.65SS**  trans-52.4122164.226.40000107.2S99S99-T101 PolarHBondContact O-N 3.45Å; S99-T101 VanDerWaalsContact O-N 3.17Å
102P57.4Low54.6Low72 Ų72111.5 Ų111.547%0.46863%0.629SS.*  trans-62.6142.9-179.326.7-33.1000108.7T104 T105P102-T104 WeakPolarHBondContact CB-OG1 3.34Å; P102-T104 WeakPolarHBondContact CG-OG1 3.42Å; P102-T104 PolarHBondContact O-N 2.99Å; P102-T105 WeakPolarHBondContact O-CB 3.31Å; P102-T105 PolarHBondContact O-N 2.95Å; P102-T105 PolarHBondContact O-OG1 2.89Å
103L52.7Low55.4Low159 Ų159109.1 Ų109.183%0.83263%0.628SS**Hα-helixtrans-53.2-22.6176.5-92.6110000112.7T105 L106 N107L103-T105 VanDerWaalsContact C-N 3.26Å; L103-T105 PolarHBondContact O-N 2.82Å; L103-L106 PolarHBondContact O-N 2.91Å; L103-N107 PolarHBondContact O-N 3.33Å
104T59.6Low56.2Low93 Ų93107.1 Ų107.157%0.57162%0.617SS**Hα-helixtrans-58.8-33.7174.160.20000113.1P102 N107 T108P102-T104 WeakPolarHBondContact CB-OG1 3.34Å; P102-T104 WeakPolarHBondContact CG-OG1 3.42Å; P102-T104 PolarHBondContact O-N 2.99Å; T104-N107 PolarHBondContact O-N 3.13Å; T104-T108 PolarHBondContact O-N 3.24Å; T104-T108 PolarHBondContact O-OG1 3.48Å
105T58.1Low56.6Low57 Ų57109.9 Ų109.935%0.3561%0.614SS.*Hα-helixtrans-62.8-49.7178.4-56.70000111P102 L103 N107 T108 D109P102-T105 WeakPolarHBondContact O-CB 3.31Å; P102-T105 PolarHBondContact O-N 2.95Å; P102-T105 PolarHBondContact O-OG1 2.89Å; L103-T105 VanDerWaalsContact C-N 3.26Å; L103-T105 PolarHBondContact O-N 2.82Å; T105-N107 VanDerWaalsContact C-N 3.3Å; T105-N107 PolarHBondContact O-N 3.47Å; T105-T108 WeakPolarHBondContact O-CB 3.42Å; T105-T108 PolarHBondContact O-N 3.13Å; T105-T108 VanDerWaalsContact O-N 3.13Å; T105-D109 VanDerWaalsContact O-CG 3.3Å; T105-D109 PolarHBondContact O-N 3.41Å
106L64.4Low56.7Low117 Ų117110.7 Ų110.761%0.61362%0.618SS**Hα-helixtrans-65.9-32.7-179.5-64.3-175.6000112.8L103 T108 D109 I110L103-L106 PolarHBondContact O-N 2.91Å; L106-T108 VanDerWaalsContact C-N 3.33Å; L106-D109 PolarHBondContact O-N 3.33Å; L106-I110 WeakPolarHBondContact O-CG1 3.46Å; L106-I110 PolarHBondContact O-N 2.88Å
107N59.4Low57.1Low112 Ų112107.5 Ų107.560%0.59961%0.611SS**Hα-helixtrans-72.9-29.9177.2-153.219.4000112.2L103 T104 T105 S111L103-N107 PolarHBondContact O-N 3.33Å; T104-N107 PolarHBondContact O-N 3.13Å; T105-N107 VanDerWaalsContact C-N 3.3Å; T105-N107 PolarHBondContact O-N 3.47Å; N107-S111 PolarHBondContact O-N 3.11Å; N107-S111 PolarHBondContact O-OG 3.44Å
108T67.3Low57.3Low74 Ų74106.7 Ų106.745%0.45461%0.609SS.*Hα-helixtrans-71.1-41.5173.5-51.90000110.7T104 T105 L106 I110 S111 I112T104-T108 PolarHBondContact O-N 3.24Å; T104-T108 PolarHBondContact O-OG1 3.48Å; T105-T108 WeakPolarHBondContact O-CB 3.42Å; T105-T108 PolarHBondContact O-N 3.13Å; T105-T108 VanDerWaalsContact O-N 3.13Å; L106-T108 VanDerWaalsContact C-N 3.33Å; T108-I110 VanDerWaalsContact C-N 3.34Å; T108-I110 PolarHBondContact O-N 3.49Å; T108-S111 PolarHBondContact O-N 3.45Å; T108-S111 VanDerWaalsContact O-N 3.13Å; T108-I112 HydrophobicContact CG2-CD1 4.06Å; T108-I112 HydrophobicContact CG2-CG1 4.33Å; T108-I112 WeakPolarHBondContact O-CG1 3.48Å; T108-I112 PolarHBondContact O-N 3.34Å
109D58.7Low57.2Low75 Ų75110 Ų11040%0.40161%0.613SS.*Hα-helixtrans-62-39.6178.4-64.1-38000112.1T105 L106 S111 I112 L113T105-D109 VanDerWaalsContact O-CG 3.3Å; T105-D109 PolarHBondContact O-N 3.41Å; L106-D109 PolarHBondContact O-N 3.33Å; D109-S111 VanDerWaalsContact C-N 3.34Å; D109-S111 PolarHBondContact O-N 3.49Å; D109-I112 PolarHBondContact O-N 3.1Å; D109-L113 WeakPolarHBondContact O-CB 3.48Å; D109-L113 VanDerWaalsContact O-CG 3.22Å; D109-L113 WeakPolarHBondContact O-CG 3.22Å; D109-L113 PolarHBondContact O-N 3.3Å
110I66.6Low56.6Low116 Ų116113 Ų11360%0.59561%0.612SS**Hα-helixtrans-62-42174.2-68.2179.2000111.2L106 T108 S114L106-I110 WeakPolarHBondContact O-CG1 3.46Å; L106-I110 PolarHBondContact O-N 2.88Å; T108-I110 VanDerWaalsContact C-N 3.34Å; T108-I110 PolarHBondContact O-N 3.49Å; I110-S114 WeakPolarHBondContact O-CB 3.38Å; I110-S114 PolarHBondContact O-N 3.18Å
111S60Low56Low69 Ų69107.5 Ų107.548%0.48361%0.605SS.*Hα-helixtrans-67.8-38.2177.3-65.40000112.3N107 T108 D109 S114 L115N107-S111 PolarHBondContact O-N 3.11Å; N107-S111 PolarHBondContact O-OG 3.44Å; T108-S111 PolarHBondContact O-N 3.45Å; T108-S111 VanDerWaalsContact O-N 3.13Å; D109-S111 VanDerWaalsContact C-N 3.34Å; D109-S111 PolarHBondContact O-N 3.49Å; S111-S114 PolarHBondContact O-N 3.37Å; S111-L115 VanDerWaalsContact O-CG 3.31Å; S111-L115 WeakPolarHBondContact O-CG 3.43Å; S111-L115 PolarHBondContact O-N 3.31Å
112I64.6Low55.6Low84 Ų84108 Ų10843%0.43161%0.613SS.*Hα-helixtrans-70.8-43178.7-69.8-171.2000111.8T108 D109 S114 L115 Q116T108-I112 HydrophobicContact CG2-CD1 4.06Å; T108-I112 HydrophobicContact CG2-CG1 4.33Å; T108-I112 WeakPolarHBondContact O-CG1 3.48Å; T108-I112 PolarHBondContact O-N 3.34Å; D109-I112 PolarHBondContact O-N 3.1Å; I112-S114 PolarHBondContact O-N 3.13Å; I112-L115 PolarHBondContact O-N 2.76Å; I112-L115 VanDerWaalsContact O-N 3.11Å; I112-Q116 PolarHBondContact O-N 2.74Å; I112-Q116 VanDerWaalsContact O-N 3.1Å
113L61.8Low55.1Low119 Ų119113.2 Ų113.262%0.62363%0.631SS**Hα-helixtrans-60.6-37175.8-72.5168.5000111.7D109 L115 A117D109-L113 WeakPolarHBondContact O-CB 3.48Å; D109-L113 VanDerWaalsContact O-CG 3.22Å; D109-L113 WeakPolarHBondContact O-CG 3.22Å; D109-L113 PolarHBondContact O-N 3.3Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 2.91Å; L113-A117 PolarHBondContact O-N 3.08Å
114S54.6Low54.8Low88 Ų88113.4 Ų113.462%0.61563%0.632SS**Hα-helixtrans-70.6-24177.7-162.30000113.4I110 S111 I112I110-S114 WeakPolarHBondContact O-CB 3.38Å; I110-S114 PolarHBondContact O-N 3.18Å; S111-S114 PolarHBondContact O-N 3.37Å; I112-S114 PolarHBondContact O-N 3.13Å
115L55.8Low54.3Low132 Ų132117.4 Ų117.469%0.69165%0.646SS**Hα-helixtrans-85.6-33.6178.1-69.7167.1000112.3S111 I112 L113 A117 S118S111-L115 VanDerWaalsContact O-CG 3.31Å; S111-L115 WeakPolarHBondContact O-CG 3.43Å; S111-L115 PolarHBondContact O-N 3.31Å; I112-L115 PolarHBondContact O-N 2.76Å; I112-L115 VanDerWaalsContact O-N 3.11Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 2.91Å; L115-A117 VanDerWaalsContact C-N 3.3Å; L115-A117 PolarHBondContact O-N 3.35Å; L115-S118 PolarHBondContact O-N 3.38Å
116Q48.8Very low53.6Low140 Ų140118.9 Ų118.965%0.65466%0.659SS**Hα-helixtrans-72.5-20.1177.1-78.6-179.1-53.900113.9I112 S118I112-Q116 PolarHBondContact O-N 2.74Å; I112-Q116 VanDerWaalsContact O-N 3.1Å; Q116-S118 PolarHBondContact O-N 2.95Å
117A53.5Low52.8Low74 Ų74119.2 Ų119.261%0.61266%0.662SS**THydrogen-bonded Turntrans-70.5-13.617500000113.6L113 L115L113-A117 PolarHBondContact O-N 3.08Å; L115-A117 VanDerWaalsContact C-N 3.3Å; L115-A117 PolarHBondContact O-N 3.35Å
118S51.8Low52.1Low107 Ų107120.6 Ų120.675%0.74867%0.669SS**THydrogen-bonded Turntrans-89.5-8.2-176.6-168.30000114.6L115 Q116L115-S118 PolarHBondContact O-N 3.38Å; Q116-S118 PolarHBondContact O-N 2.95Å
119E46.7Very low51.6Low167 Ų167123.4 Ų123.478%0.7869%0.692SS**  trans-134.282-174.9-158.2170.710400111P121E119-P121 WeakPolarHBondContact O-CD 3.46Å
120F37.8Very low51.3Low182 Ų182129.1 Ų129.180%0.79871%0.713SS**  trans-84.5118.8161.4-96.3-86.5000108.6S122F120-S122 PolarHBondContact O-N 2.96Å
121P41.4Very low50.5Low112 Ų112128 Ų12873%0.72772%0.721SS**  trans-76.3112.2161.6-6.724.1000108.6E119 E123E119-P121 WeakPolarHBondContact O-CD 3.46Å; P121-E123 PolarHBondContact O-N 3.07Å
122S45.7Very low50.2Low118 Ų118132.3 Ų132.383%0.82574%0.737SS**  trans-71.467.5170.5-650000111.4F120F120-S122 PolarHBondContact O-N 2.96Å
123E47.7Very low49.5Very low183 Ų183134.2 Ų134.286%0.85576%0.757SS**  trans-148.287.8170.1-78.2-152.2101.400111.8P121P121-E123 PolarHBondContact O-N 3.07Å
124L45.8Very low48.5Very low162 Ų162135.9 Ų135.985%0.84880%0.803SS**  trans-167.965.1134.8-161.463.5000110.2S126L124-S126 PolarHBondContact O-N 3.47Å
125M49.7Very low48.2Very low177 Ų177138.3 Ų138.387%0.87281%0.812SS**  trans-86.691.5154-70.4-168.572.100107
126S43Very low47.8Very low89 Ų89138.6 Ų138.662%0.62282%0.819SS**  trans-128.4117.1158.1-167.40000108.7L124L124-S126 PolarHBondContact O-N 3.47Å
127N48.6Very low47.7Very low123 Ų123138.5 Ų138.566%0.65883%0.828SS**  trans-90.1120.1-170.8-27.5-60.2000106.2
128D43.3Very low47.4Very low141 Ų141142.3 Ų142.375%0.75484%0.84SS**  trans-132.789.3164.7-84.4-61.7000109.2K130D128-K130 PolarHBondContact O-N 3.06Å
129S57.1Low47.1Very low133 Ų133144.5 Ų144.593%0.9385%0.846SS**  trans-55.9102.5160.7-65.70000108.8
130K53.8Low47.1Very low196 Ų196143 Ų14385%0.85285%0.851SS**  trans-104.1120.3169.165.4-156-154.4-72.80110.4D128D128-K130 PolarHBondContact O-N 3.06Å
131A50.1Low47.8Very low91 Ų91140.2 Ų140.275%0.75285%0.854SS**  trans-53.9160.9175.700000113.5
132L53.5Low48.3Very low160 Ų160142.4 Ų142.484%0.83886%0.864SS**  trans114.3126.8134.6-142.379000117.8
133C49.4Very low48.5Very low124 Ų124144.4 Ų144.484%0.83887%0.867SS**  trans87.4119.2154.1-78.50000120.1
134G39.6Very low48.5Very low154 Ų154140.9 Ų140.9100%1.58887%0.868SS**  trans158.50166.300000111

Retrieved 134 of 134 residues in 57.5 ms (Link to these results)