A0A087WYD0_HUMAN Loading...

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 5, mitochondrial

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I), that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A087WYD0, Species HUMAN (Homo sapiens, Human), Gene NDUFB5, Length 135 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
1M54.1Low54.2Low251 Ų251135 Ų135100%1.23672%0.717SS**  064.60-65.1-173.8-171.700111.1
2A58.3Low53.8Low80 Ų80131.9 Ų131.966%0.66171%0.707SS**  trans-1303-175.400000114.2S5A2-S5 PolarHBondContact O-OG 3.17Å
3A54.3Low53.6Low84 Ų84129.4 Ų129.469%0.69470%0.699SS**SBendtrans-88.4-18.8-178.800000113.9
4M54.2Low53.1Low175 Ų175124.5 Ų124.586%0.86269%0.685SS**THydrogen-bonded Turntrans-86.4-3.4-178.1-76.6-157.2-150.700114.9
5S52.5Low52.7Low70 Ų70122.8 Ų122.849%0.4968%0.68SS.*THydrogen-bonded Turntrans-94.2-16.7-177.852.30000113.9A2A2-S5 PolarHBondContact O-OG 3.17Å
6L56.1Low52.7Low125 Ų125119.1 Ų119.165%0.65467%0.67SS**THydrogen-bonded Turntrans-83.1-38.4-179.3-66.1176000112.5R8 R9L6-R8 VanDerWaalsContact C-N 3.3Å; L6-R8 PolarHBondContact O-N 2.96Å; L6-R9 PolarHBondContact O-N 2.95Å
7L55.1Low52.5Low141 Ų141117.2 Ų117.274%0.73867%0.673SS**Hα-helixtrans-67-29178.2-73.7167.6000113.3R9L7-R9 VanDerWaalsContact C-N 3.32Å; L7-R9 PolarHBondContact O-N 3.27Å
8R53Low52.2Low200 Ų200119.4 Ų119.476%0.75568%0.681SS**Hα-helixtrans-73.5-18.7175.5-86.3-175162.5-171.1-3.7114L6 S11 V12L6-R8 VanDerWaalsContact C-N 3.3Å; L6-R8 PolarHBondContact O-N 2.96Å; R8-S11 PolarHBondContact O-OG 3.47Å; R8-V12 WeakPolarHBondContact O-CG2 3.44Å
9R53.1Low52.2Low192 Ų192117.4 Ų117.473%0.72568%0.675SS**Hα-helixtrans-88-25.6178.5-71-171.3177.1-1620.1113.1L6 L7 T13L6-R9 PolarHBondContact O-N 2.95Å; L7-R9 VanDerWaalsContact C-N 3.32Å; L7-R9 PolarHBondContact O-N 3.27Å; R9-T13 PolarHBondContact O-OG1 3.1Å
10V53.2Low52Low101 Ų101115.1 Ų115.161%0.61268%0.678SS**Hα-helixtrans-72.5-33.8174.2-179.30000111.1T13 A14V10-T13 PolarHBondContact O-OG1 3.3Å; V10-A14 PolarHBondContact O-N 3.18Å
11S52.3Low51.7Low66 Ų66120.8 Ų120.846%0.46269%0.688SS.*Hα-helixtrans-73.3-28.6178.958.80000114.2R8 V15R8-S11 PolarHBondContact O-OG 3.47Å; S11-V15 WeakPolarHBondContact O-CG2 3.29Å
12V49.9Very low51.3Low98 Ų98114.9 Ų114.959%0.59467%0.668SS**Hα-helixtrans-81.6-30.9-179179.20000112R8 A16R8-V12 WeakPolarHBondContact O-CG2 3.44Å; V12-A16 WeakPolarHBondContact O-CB 3.45Å; V12-A16 PolarHBondContact O-N 3.27Å; V12-A16 VanDerWaalsContact O-N 3.1Å
13T51.1Low50.7Low99 Ų99119.4 Ų119.461%0.60768%0.681SS**Hα-helixtrans-76.9-30.6178.841.90000112.9R9 V10R9-T13 PolarHBondContact O-OG1 3.1Å; V10-T13 PolarHBondContact O-OG1 3.3Å
14A46.3Very low50.1Low61 Ų61118.8 Ų118.850%0.50468%0.682SS.*Hα-helixtrans-71.2-31.5171.800000113V10V10-A14 PolarHBondContact O-N 3.18Å
15V47.1Very low49.7Very low99 Ų99116.6 Ų116.660%0.668%0.679SS**Hα-helixtrans-80.4-34.9179.2173.30000112S11 A17 L18 S19S11-V15 WeakPolarHBondContact O-CG2 3.29Å; V15-A17 VanDerWaalsContact C-N 3.31Å; V15-A17 PolarHBondContact O-N 3.42Å; V15-L18 PolarHBondContact O-N 3.48Å; V15-S19 PolarHBondContact O-N 3.29Å
16A52.4Low49.2Very low63 Ų63124.1 Ų124.152%0.52170%0.697SS.*Hα-helixtrans-70.2-23.5178.300000113.9V12 L18 S19V12-A16 WeakPolarHBondContact O-CB 3.45Å; V12-A16 PolarHBondContact O-N 3.27Å; V12-A16 VanDerWaalsContact O-N 3.1Å; A16-L18 VanDerWaalsContact C-N 3.34Å; A16-S19 PolarHBondContact O-OG 3.1Å
17A49.5Very low49Very low87 Ų87126.1 Ų126.172%0.71971%0.707SS**THydrogen-bonded Turntrans-76.8-18.217300000113.5V15V15-A17 VanDerWaalsContact C-N 3.31Å; V15-A17 PolarHBondContact O-N 3.42Å
18L47.6Very low48.5Very low158 Ų158123 Ų12383%0.82771%0.708SS**THydrogen-bonded Turntrans-90.3-13.7175.4-80.5161.9000113.2V15 A16 G20V15-L18 PolarHBondContact O-N 3.48Å; A16-L18 VanDerWaalsContact C-N 3.34Å; L18-G20 PolarHBondContact O-N 3.47Å
19S52.2Low48.3Very low81 Ų81123.7 Ų123.757%0.56672%0.718SS**  trans-99.661.6174.764.80000111.3V15 A16 R21V15-S19 PolarHBondContact O-N 3.29Å; A16-S19 PolarHBondContact O-OG 3.1Å; S19-R21 VanDerWaalsContact C-N 3.3Å; S19-R21 PolarHBondContact O-N 2.91Å
20G48.8Very low48.3Very low71 Ų71118.2 Ų118.273%0.73272%0.721SS**  trans-66.182.9170.300000112.2L18L18-G20 PolarHBondContact O-N 3.47Å
21R45.2Very low48.3Very low234 Ų234116.6 Ų116.688%0.88372%0.724SS**  trans-123.5105.6163-86.8-175.9159.6-175-5.4109.3S19 L23S19-R21 VanDerWaalsContact C-N 3.3Å; S19-R21 PolarHBondContact O-N 2.91Å; R21-L23 PolarHBondContact O-N 2.74Å; R21-L23 VanDerWaalsContact O-N 3.15Å
22P46.2Very low48.5Very low128 Ų128122.9 Ų122.983%0.83174%0.743SS**  trans-69.2112.817028-29.1000107.8G24P22-G24 PolarHBondContact O-N 3.49Å; P22-G24 VanDerWaalsContact O-N 3.08Å
23L44.8Very low48.8Very low175 Ų175125.6 Ų125.692%0.91675%0.754SS**  trans-65.9106.8166.1-150.191.1000106.4R21 T25R21-L23 PolarHBondContact O-N 2.74Å; R21-L23 VanDerWaalsContact O-N 3.15Å; L23-T25 PolarHBondContact O-N 2.88Å
24G42.7Very low48.8Very low71 Ų71127 Ų12773%0.73276%0.762SS**  trans-52124.6-177.700000111.8P22P22-G24 PolarHBondContact O-N 3.49Å; P22-G24 VanDerWaalsContact O-N 3.08Å
25T43.8Very low49.2Very low129 Ų129136.1 Ų136.179%0.79178%0.784SS**  trans-55.1142.5166.6320000112.2L23L23-T25 PolarHBondContact O-N 2.88Å
26R43.1Very low49.5Very low228 Ų228134.3 Ų134.386%0.8679%0.785SS**  trans72.7101.2148-80.6177.2163-105.10.7117.5G28R26-G28 PolarHBondContact O-N 3.28Å; R26-G28 VanDerWaalsContact O-N 3.1Å
27L51.7Low49.6Very low167 Ų167140.7 Ų140.787%0.87480%0.802SS**  -3.799.5117.4-107.6101.1000113.3
28G44.5Very low49.7Very low74 Ų74142.5 Ų142.576%0.76381%0.806SS**  trans-100.898.9159.500000108.3R26 G30R26-G28 PolarHBondContact O-N 3.28Å; R26-G28 VanDerWaalsContact O-N 3.1Å; G28-G30 PolarHBondContact O-N 3.27Å
29F49.3Very low50Low216 Ų216144.2 Ų144.295%0.94781%0.807SS**  trans-74.499.9168-169.9-92000107.4
30G51.7Low50.4Low77 Ų77145 Ų14579%0.79482%0.818SS**  trans175.999.5179.100000112.6G28G28-G30 PolarHBondContact O-N 3.27Å
31G54.8Low51.1Low66 Ų66146 Ų14668%0.6882%0.819SS**  trans143.739.716900000115.9L33G31-L33 PolarHBondContact O-N 3.23Å
32F55.2Low52Low198 Ų198138.2 Ų138.287%0.86881%0.805SS**THydrogen-bonded Turntrans-76.40.5176.6-172.5-106.7000113.9
33L57.4Low52.7Low155 Ų155137.5 Ų137.581%0.81280%0.8SS**THydrogen-bonded Turntrans-137.647.7-172.6-63.3176000114.7G31G31-L33 PolarHBondContact O-N 3.23Å
34T50.2Low53.7Low128 Ų128134.3 Ų134.379%0.78579%0.788SS**  trans-126.595.1157.550.10000109.2G36T34-G36 PolarHBondContact O-N 3.03Å
35R54.2Low54.7Low254 Ų254141.1 Ų141.196%0.95879%0.791SS**  trans-64.982169-173177.3-175.7171.40.8108.7
36G55.2Low55.4Low61 Ų61141.9 Ų141.963%0.62979%0.786SS**  trans-85.2128.7166.400000109.3T34T34-G36 PolarHBondContact O-N 3.03Å
37F53.3Low56.2Low197 Ų197136.3 Ų136.386%0.86478%0.782SS**  trans-50.2131.6170.6-73.5-95.3000109.6K39F37-K39 PolarHBondContact O-N 3.33Å
38P51.7Low56.6Low124 Ų124131.1 Ų131.181%0.80577%0.768SS**  trans-66.993.2170.328.5-31.6000106.8A40P38-A40 PolarHBondContact O-N 3.4Å
39K54.5Low57.1Low195 Ų195134.9 Ų134.985%0.84877%0.771SS**  trans-55.5115.8162.6-174.7167.4-176.3165.60104.2F37 A41F37-K39 PolarHBondContact O-N 3.33Å; K39-A41 PolarHBondContact O-N 3.09Å
40A61Low57.8Low97 Ų97130.4 Ų130.480%0.80275%0.753SS**  trans-56.690.4177.200000107.8P38 A42P38-A40 PolarHBondContact O-N 3.4Å; A40-A42 PolarHBondContact O-N 3.08Å
41A62.6Low58.8Low91 Ų91129.7 Ų129.775%0.75275%0.746SS**  trans-73.486.7171.400000103.9K39K39-A41 PolarHBondContact O-N 3.09Å
42A64.6Low59.6Low71 Ų71136 Ų13659%0.58775%0.754SS**  trans-45.4129.3163.300000106.4A40 V44A40-A42 PolarHBondContact O-N 3.08Å; A42-V44 VanDerWaalsContact C-N 3.29Å; A42-V44 PolarHBondContact O-N 3.12Å
43P61.4Low60.5Low114 Ų114135.7 Ų135.774%0.7475%0.747SS**  trans-60100177.323.3-31.6000107.2R45P43-R45 VanDerWaalsContact C-N 3.34Å; P43-R45 PolarHBondContact O-N 3.08Å
44V64.7Low61.7Low107 Ų107135.1 Ų135.165%0.64874%0.744SS**  trans-65103.8173.1173.30000104.5A42 H46A42-V44 VanDerWaalsContact C-N 3.29Å; A42-V44 PolarHBondContact O-N 3.12Å; V44-H46 VanDerWaalsContact C-N 3.35Å; V44-H46 PolarHBondContact O-CD2 2.88Å; V44-H46 PolarHBondContact O-N 3.49Å
45R63.8Low63.4Low215 Ų215138 Ų13881%0.81175%0.746SS**  trans-67.697.9178.6-65.8-169.3175.9-162.6-0.3107.4P43 S47P43-R45 VanDerWaalsContact C-N 3.34Å; P43-R45 PolarHBondContact O-N 3.08Å; R45-S47 PolarHBondContact O-N 3.3Å
46H59Low65Low145 Ų145130.3 Ų130.367%0.67173%0.727SS**  trans-7337.4164.1-63.2-75.2000111.1V44 G48V44-H46 VanDerWaalsContact C-N 3.35Å; V44-H46 PolarHBondContact O-CD2 2.88Å; V44-H46 PolarHBondContact O-N 3.49Å; H46-G48 PolarHBondContact O-N 3.21Å
47S58.6Low66.5Low111 Ų111134.6 Ų134.678%0.77673%0.734SS**THydrogen-bonded Turntrans-73.211.7176.449.70000113R45R45-S47 PolarHBondContact O-N 3.3Å
48G60.6Low68.2Low57 Ų57133.8 Ų133.859%0.58873%0.726SS**THydrogen-bonded Turntrans-128.548.5178.300000111.5H46 H50H46-G48 PolarHBondContact O-N 3.21Å; G48-H50 PolarHBondContact O-N 3.32Å
49D55.2Low70Confident154 Ų154133.3 Ų133.382%0.82472%0.722SS**  trans-68.427.2168.3-111.7-36000112.8
50H63.9Low71.8Confident121 Ų121128 Ų12856%0.5671%0.709SS**SBendtrans-118.7111.5166.5-127.585.9000105.9G48 R53G48-H50 PolarHBondContact O-N 3.32Å; H50-R53 PolarHBondContact CD2-NE 2.97Å; H50-R53 PolarHBondContact CD2-NH2 3.21Å; H50-R53 PolarHBondContact CE1-NH2 3.26Å; H50-R53 PolarHBondContact ND1-NH2 2.91Å; H50-R53 PolarHBondContact NE2-NE 3.34Å; H50-R53 PolarHBondContact NE2-NH2 2.87Å
51G72.6Confident73.3Confident63 Ų63129.8 Ų129.865%0.64970%0.696SS**  trans-47.6153.717500000111.5R53G51-R53 WeakPolarHBondContact O-CG 3.42Å; G51-R53 PolarHBondContact O-N 2.82Å
52K71.8Confident74.8Confident198 Ų198131.6 Ų131.686%0.86169%0.687SS**  trans-28.990175.245.5-173.8173.4-172.60112.8L54K52-L54 PolarHBondContact O-N 3.25Å; K52-L54 VanDerWaalsContact O-N 3.12Å
53R73.5Confident76.3Confident191 Ų191134.7 Ų134.772%0.72168%0.684SS**  trans-72.4107-179.2-68-174.1-172.8-161.9-6.9107.4H50 G51H50-R53 PolarHBondContact CD2-NE 2.97Å; H50-R53 PolarHBondContact CD2-NH2 3.21Å; H50-R53 PolarHBondContact CE1-NH2 3.26Å; H50-R53 PolarHBondContact ND1-NH2 2.91Å; H50-R53 PolarHBondContact NE2-NE 3.34Å; H50-R53 PolarHBondContact NE2-NH2 2.87Å; G51-R53 WeakPolarHBondContact O-CG 3.42Å; G51-R53 PolarHBondContact O-N 2.82Å
54L84.4Confident77.9Confident143 Ų143134 Ų13475%0.74968%0.675SS**  trans-76141.5175.2-60.3174.9000109.5K52 V56K52-L54 PolarHBondContact O-N 3.25Å; K52-L54 VanDerWaalsContact O-N 3.12Å; L54-V56 PolarHBondContact O-N 2.98Å
55F85.5Confident79.4Confident189 Ų189135.6 Ų135.683%0.82967%0.669SS**  trans-70.8102.2170-176.3-100.9000108.7I57F55-I57 HydrophobicContact CD1-CG1 4.08Å; F55-I57 HydrophobicContact CE1-CG1 4.13Å; F55-I57 PolarHBondContact O-N 3.44Å
56V87.1Confident81Confident92 Ų92131.3 Ų131.356%0.55865%0.652SS**  trans-78.3110.5176.6-175.80000108.2L54 R58L54-V56 PolarHBondContact O-N 2.98Å; V56-R58 HydrophobicContact CB-CG 4.42Å; V56-R58 HydrophobicContact CG1-CG 3.78Å; V56-R58 PolarHBondContact O-N 3.49Å
57I86.8Confident82.8Confident152 Ų152130.7 Ų130.778%0.77965%0.648SS**  trans-65.6109.3173.2-57.1173.1000107.4F55F55-I57 HydrophobicContact CD1-CG1 4.08Å; F55-I57 HydrophobicContact CE1-CG1 4.13Å; F55-I57 PolarHBondContact O-N 3.44Å
58R88.7Confident84.6Confident180 Ų180129.8 Ų129.868%0.67963%0.634SS**  trans-117.5147.8175.7-64.9-147-170.8-164.56.3110V56V56-R58 HydrophobicContact CB-CG 4.42Å; V56-R58 HydrophobicContact CG1-CG 3.78Å; V56-R58 PolarHBondContact O-N 3.49Å
59P90.8Very high86.3Confident113 Ų113134.5 Ų134.573%0.73464%0.638SS**  trans-62.515517128.7-35.4000110.5R61P59-R61 PolarHBondContact O-N 3.47Å; P59-R61 VanDerWaalsContact O-N 3.1Å
60S91.8Very high88.4Confident83 Ų83131 Ų13158%0.5862%0.62SS**  trans-65.7113.2-178.981.90000110.4F62S60-F62 VanDerWaalsContact C-N 3.26Å
61R92.1Very high90Very high136 Ų136129 Ų12951%0.51361%0.613SS.*  trans-89.47.5175.8-61.3-173.870.6-176.25.7113P59 R65P59-R61 PolarHBondContact O-N 3.47Å; P59-R61 VanDerWaalsContact O-N 3.1Å; R61-R65 WeakPolarHBondContact O-CB 3.46Å; R61-R65 WeakPolarHBondContact O-CD 3.45Å; R61-R65 WeakPolarHBondContact O-CG 3.32Å; R61-R65 PolarHBondContact O-N 3.32Å
62F94.4Very high91.1Very high128 Ų128135.2 Ų135.256%0.56162%0.616SS**Hα-helixtrans-68.9-48.6-172.9176.3-102000111.2S60 R65 R66S60-F62 VanDerWaalsContact C-N 3.26Å; F62-R65 PolarHBondContact O-N 3.01Å; F62-R66 VanDerWaalsContact O-CB 3.28Å; F62-R66 WeakPolarHBondContact O-CB 3.34Å; F62-R66 PolarHBondContact O-N 2.99Å
63Y95.3Very high92.3Very high136 Ų136131.7 Ų131.753%0.53360%0.601SS.*Hα-helixtrans-65.7-45.3-176.7-66.5-73.9000112.3R65 R66 F67Y63-R65 VanDerWaalsContact C-N 3.34Å; Y63-R65 PolarHBondContact O-N 3.48Å; Y63-R66 PolarHBondContact O-N 3.21Å; Y63-F67 WeakPolarHBondContact O-CB 3.25Å; Y63-F67 PolarHBondContact O-N 3.38Å
64D94.9Very high93.4Very high101 Ų101129.7 Ų129.754%0.5460%0.595SS.*Hα-helixtrans-59.1-46.4177.5-50.1-27.7000111.5R66 F67 L68D64-R66 PolarHBondContact O-N 3.48Å; D64-F67 PolarHBondContact O-N 3Å; D64-L68 WeakPolarHBondContact O-CG 3.48Å; D64-L68 PolarHBondContact O-N 3.25Å
65R96.1Very high94Very high140 Ų140127.9 Ų127.953%0.52859%0.585SS.*Hα-helixtrans-66.5-39.3179-70.9177.2-178.1-1660.8111.5R61 F62 Y63 K69R61-R65 WeakPolarHBondContact O-CB 3.46Å; R61-R65 WeakPolarHBondContact O-CD 3.45Å; R61-R65 WeakPolarHBondContact O-CG 3.32Å; R61-R65 PolarHBondContact O-N 3.32Å; F62-R65 PolarHBondContact O-N 3.01Å; Y63-R65 VanDerWaalsContact C-N 3.34Å; Y63-R65 PolarHBondContact O-N 3.48Å; R65-K69 WeakPolarHBondContact O-CB 3.26Å; R65-K69 WeakPolarHBondContact O-CG 3.46Å; R65-K69 PolarHBondContact O-N 3.41Å; R65-K69 VanDerWaalsContact O-N 3.08Å
66R97.2Very high94.5Very high124 Ų124120.8 Ų120.847%0.46856%0.561SS.*Hα-helixtrans-65.6-44.5177.3-173.4179.670.2164.83.1110.9F62 Y63 D64 K69 L70F62-R66 VanDerWaalsContact O-CB 3.28Å; F62-R66 WeakPolarHBondContact O-CB 3.34Å; F62-R66 PolarHBondContact O-N 2.99Å; Y63-R66 PolarHBondContact O-N 3.21Å; D64-R66 PolarHBondContact O-N 3.48Å; R66-K69 PolarHBondContact O-N 3.32Å; R66-L70 HydrophobicContact CG-CD1 4.06Å; R66-L70 WeakPolarHBondContact O-CG 3.28Å; R66-L70 PolarHBondContact O-N 2.94Å
67F97.3Very high95Very high132 Ų132121.3 Ų121.358%0.57956%0.56SS**Hα-helixtrans-59.9-50177.5176.2-104.9000111.6Y63 D64 K69 L70 L71Y63-F67 WeakPolarHBondContact O-CB 3.25Å; Y63-F67 PolarHBondContact O-N 3.38Å; D64-F67 PolarHBondContact O-N 3Å; F67-K69 VanDerWaalsContact C-N 3.28Å; F67-K69 PolarHBondContact O-N 3.32Å; F67-L70 PolarHBondContact O-N 3.43Å; F67-L71 HydrophobicContact CE1-CD2 4.36Å; F67-L71 WeakPolarHBondContact O-CB 3.5Å; F67-L71 PolarHBondContact O-N 3.43Å
68L96.9Very high95.4Very high93 Ų93118.3 Ų118.349%0.48755%0.549SS..Hα-helixtrans-63.5-33.8178.7-68.2174.1000112.8D64 R72D64-L68 WeakPolarHBondContact O-CG 3.48Å; D64-L68 PolarHBondContact O-N 3.25Å; L68-R72 WeakPolarHBondContact O-CB 2.91Å; L68-R72 WeakPolarHBondContact O-CG 3.36Å; L68-R72 PolarHBondContact O-N 3.49Å
69K97.1Very high95.8Very high155 Ų155111.4 Ų111.467%0.67453%0.534SS*.Hα-helixtrans-66.2-46.2173.7-77.2175.8180-171.50111.7R65 R66 F67 F73R65-K69 WeakPolarHBondContact O-CB 3.26Å; R65-K69 WeakPolarHBondContact O-CG 3.46Å; R65-K69 PolarHBondContact O-N 3.41Å; R65-K69 VanDerWaalsContact O-N 3.08Å; R66-K69 PolarHBondContact O-N 3.32Å; F67-K69 VanDerWaalsContact C-N 3.28Å; F67-K69 PolarHBondContact O-N 3.32Å; K69-F73 VanDerWaalsContact O-CB 3.29Å; K69-F73 WeakPolarHBondContact O-CB 3.48Å; K69-F73 PolarHBondContact O-N 2.94Å
70L97.7Very high96.1Very high82 Ų82110.9 Ų110.943%0.42952%0.524SS..Hα-helixtrans-63.8-47.1177.8-71.9166.6000111R66 F67 R72 F73 Y74R66-L70 HydrophobicContact CG-CD1 4.06Å; R66-L70 WeakPolarHBondContact O-CG 3.28Å; R66-L70 PolarHBondContact O-N 2.94Å; F67-L70 PolarHBondContact O-N 3.43Å; L70-R72 PolarHBondContact O-N 3.07Å; L70-F73 WeakPolarHBondContact O-CB 3.29Å; L70-F73 PolarHBondContact O-N 3.04Å; L70-F73 VanDerWaalsContact O-N 3.1Å; L70-Y74 HydrophobicContact CB-CE2 4.45Å; L70-Y74 HydrophobicContact CD2-CE2 4.34Å; L70-Y74 WeakPolarHBondContact O-CD2 3.32Å; L70-Y74 PolarHBondContact O-N 2.91Å
71L97.3Very high96.3Very high79 Ų79110.2 Ų110.241%0.41452%0.518SS..Hα-helixtrans-55.6-50.8177-177.763.9000111.7F67 F73 Y74 I75F67-L71 HydrophobicContact CE1-CD2 4.36Å; F67-L71 WeakPolarHBondContact O-CB 3.5Å; F67-L71 PolarHBondContact O-N 3.43Å; L71-F73 VanDerWaalsContact C-N 3.3Å; L71-F73 PolarHBondContact O-N 3.46Å; L71-Y74 PolarHBondContact O-N 2.79Å; L71-I75 HydrophobicContact CD1-CD1 3.99Å; L71-I75 HydrophobicContact CG-CD1 3.94Å; L71-I75 VanDerWaalsContact O-CG1 3.3Å; L71-I75 WeakPolarHBondContact O-CG1 3.39Å; L71-I75 PolarHBondContact O-N 3.45Å
72R96.9Very high96.5Very high193 Ų193107.7 Ų107.773%0.72852%0.517SS*.Hα-helixtrans-62.2-38176.6-78178.4176.5178.6-1.3112.2L68 L70 A76L68-R72 WeakPolarHBondContact O-CB 2.91Å; L68-R72 WeakPolarHBondContact O-CG 3.36Å; L68-R72 PolarHBondContact O-N 3.49Å; L70-R72 PolarHBondContact O-N 3.07Å; R72-A76 WeakPolarHBondContact O-CB 3.31Å; R72-A76 PolarHBondContact O-N 3.23Å
73F97.4Very high96.5Very high123 Ų123104 Ų10454%0.53951%0.51SS..Hα-helixtrans-62.2-49.1178.3176.4-101.4000111.6K69 L70 L71 I75 A76 L77K69-F73 VanDerWaalsContact O-CB 3.29Å; K69-F73 WeakPolarHBondContact O-CB 3.48Å; K69-F73 PolarHBondContact O-N 2.94Å; L70-F73 WeakPolarHBondContact O-CB 3.29Å; L70-F73 PolarHBondContact O-N 3.04Å; L70-F73 VanDerWaalsContact O-N 3.1Å; L71-F73 VanDerWaalsContact C-N 3.3Å; L71-F73 PolarHBondContact O-N 3.46Å; F73-I75 PolarHBondContact O-N 3.15Å; F73-A76 PolarHBondContact O-N 2.94Å; F73-L77 VanDerWaalsContact O-CB 3.29Å; F73-L77 WeakPolarHBondContact O-CB 3.4Å; F73-L77 PolarHBondContact O-N 2.67Å
74Y96.4Very high96.5Very high149 Ų149101.7 Ų101.758%0.58451%0.506SS*.Hα-helixtrans-67.8-36179.7-72.9-71.2000113.2L70 L71L70-Y74 HydrophobicContact CB-CE2 4.45Å; L70-Y74 HydrophobicContact CD2-CE2 4.34Å; L70-Y74 WeakPolarHBondContact O-CD2 3.32Å; L70-Y74 PolarHBondContact O-N 2.91Å; L71-Y74 PolarHBondContact O-N 2.79Å
75I97.2Very high96.4Very high105 Ų105103.6 Ų103.654%0.53851%0.51SS..Hα-helixtrans-67-45.4173.5-66.2168.5000110.4L71 F73 L77 G79L71-I75 HydrophobicContact CD1-CD1 3.99Å; L71-I75 HydrophobicContact CG-CD1 3.94Å; L71-I75 VanDerWaalsContact O-CG1 3.3Å; L71-I75 WeakPolarHBondContact O-CG1 3.39Å; L71-I75 PolarHBondContact O-N 3.45Å; F73-I75 PolarHBondContact O-N 3.15Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 2.94Å; I75-G79 WeakPolarHBondContact O-CA 3.13Å; I75-G79 PolarHBondContact O-N 3.43Å
76A96.5Very high96.1Very high40 Ų4099.8 Ų99.833%0.33150%0.499SS..Hα-helixtrans-67.6-33.4-179.600000112.3R72 F73 T78 G79 I80R72-A76 WeakPolarHBondContact O-CB 3.31Å; R72-A76 PolarHBondContact O-N 3.23Å; F73-A76 PolarHBondContact O-N 2.94Å; A76-T78 VanDerWaalsContact C-N 3.26Å; A76-T78 PolarHBondContact O-N 3.38Å; A76-G79 PolarHBondContact O-N 3.05Å; A76-I80 HydrophobicContact CB-CD1 4.14Å; A76-I80 WeakPolarHBondContact O-CB 3.19Å; A76-I80 VanDerWaalsContact O-CG1 3.28Å; A76-I80 WeakPolarHBondContact O-CG1 3.2Å; A76-I80 PolarHBondContact O-N 2.99Å
77L96.6Very high95.7Very high104 Ų10497.7 Ų97.755%0.54550%0.5SS..Hα-helixtrans-56.4-40.2179.9-176.267.2000112.2F73 I75 P81F73-L77 VanDerWaalsContact O-CB 3.29Å; F73-L77 WeakPolarHBondContact O-CB 3.4Å; F73-L77 PolarHBondContact O-N 2.67Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 2.94Å; L77-P81 WeakPolarHBondContact O-CD 3.47Å; L77-P81 WeakPolarHBondContact O-CG 3.27Å
78T95.4Very high95.5Very high89 Ų8995.4 Ų95.455%0.54649%0.494SS..Hα-helixtrans-99.7-31.1177.754.50000112.5A76 P81 V82A76-T78 VanDerWaalsContact C-N 3.26Å; A76-T78 PolarHBondContact O-N 3.38Å; T78-P81 VanDerWaalsContact O-CD 3.29Å; T78-P81 WeakPolarHBondContact O-CD 3.36Å; T78-P81 VanDerWaalsContact O-CG 3.29Å; T78-P81 WeakPolarHBondContact O-CG 3.47Å; T78-V82 WeakPolarHBondContact O-CB 3.41Å; T78-V82 WeakPolarHBondContact O-CG2 3.38Å; T78-V82 PolarHBondContact O-N 3.28Å; T78-V82 VanDerWaalsContact O-N 3.15Å
79G96.9Very high95.1Very high35 Ų3593.4 Ų93.436%0.36149%0.486SS..Hα-helixtrans-65.5-40.5-179.100000113.7I75 A76 A83I75-G79 WeakPolarHBondContact O-CA 3.13Å; I75-G79 PolarHBondContact O-N 3.43Å; A76-G79 PolarHBondContact O-N 3.05Å; G79-A83 VanDerWaalsContact O-CB 3.3Å; G79-A83 WeakPolarHBondContact O-CB 3.34Å; G79-A83 PolarHBondContact O-N 3.33Å
80I96.1Very high94.6Very high102 Ų10289.7 Ų89.752%0.52347%0.473SS..Hα-helixtrans-64.2-53.5177.9-64.2168.3000111.7A76 V82 A83 I84A76-I80 HydrophobicContact CB-CD1 4.14Å; A76-I80 WeakPolarHBondContact O-CB 3.19Å; A76-I80 VanDerWaalsContact O-CG1 3.28Å; A76-I80 WeakPolarHBondContact O-CG1 3.2Å; A76-I80 PolarHBondContact O-N 2.99Å; I80-V82 VanDerWaalsContact C-N 3.31Å; I80-V82 PolarHBondContact O-N 2.88Å; I80-A83 PolarHBondContact O-N 2.84Å; I80-I84 HydrophobicContact CG2-CD1 3.77Å; I80-I84 HydrophobicContact CG2-CG1 4.43Å; I80-I84 WeakPolarHBondContact O-CG1 3.25Å; I80-I84 PolarHBondContact O-N 3.19Å
81P96.3Very high94.2Very high69 Ų6991 Ų9145%0.44848%0.484SS..Hα-helixtrans-63.7-35.7179.822-31.9000112.7L77 T78 I84 F85L77-P81 WeakPolarHBondContact O-CD 3.47Å; L77-P81 WeakPolarHBondContact O-CG 3.27Å; T78-P81 VanDerWaalsContact O-CD 3.29Å; T78-P81 WeakPolarHBondContact O-CD 3.36Å; T78-P81 VanDerWaalsContact O-CG 3.29Å; T78-P81 WeakPolarHBondContact O-CG 3.47Å; P81-I84 PolarHBondContact O-N 3.05Å; P81-F85 WeakPolarHBondContact O-CB 3.47Å; P81-F85 PolarHBondContact O-N 3.42Å
82V95.9Very high93.8Very high83 Ų8395 Ų9550%0.50350%0.499SS..Hα-helixtrans-64.1-45174.2170.30000111.4T78 I80 I84 F85 I86T78-V82 WeakPolarHBondContact O-CB 3.41Å; T78-V82 WeakPolarHBondContact O-CG2 3.38Å; T78-V82 PolarHBondContact O-N 3.28Å; T78-V82 VanDerWaalsContact O-N 3.15Å; I80-V82 VanDerWaalsContact C-N 3.31Å; I80-V82 PolarHBondContact O-N 2.88Å; V82-I84 PolarHBondContact O-N 2.86Å; V82-F85 PolarHBondContact O-N 2.85Å; V82-I86 HydrophobicContact CG1-CD1 3.77Å; V82-I86 HydrophobicContact CG1-CG1 4.49Å; V82-I86 WeakPolarHBondContact O-CD1 3.3Å; V82-I86 VanDerWaalsContact O-CG1 3.25Å; V82-I86 WeakPolarHBondContact O-CG1 3.49Å; V82-I86 PolarHBondContact O-N 3.01Å
83A94.4Very high93.2Very high51 Ų5192.2 Ų92.242%0.42150%0.497SS..Hα-helixtrans-61.7-43.9177.100000111.7G79 I80 I86 T87G79-A83 VanDerWaalsContact O-CB 3.3Å; G79-A83 WeakPolarHBondContact O-CB 3.34Å; G79-A83 PolarHBondContact O-N 3.33Å; I80-A83 PolarHBondContact O-N 2.84Å; A83-I86 PolarHBondContact O-N 2.84Å; A83-T87 WeakPolarHBondContact O-CG2 3.37Å; A83-T87 PolarHBondContact O-N 3.29Å; A83-T87 PolarHBondContact O-OG1 2.81Å
84I95.3Very high92.1Very high87 Ų8788 Ų8845%0.44649%0.488SS..Hα-helixtrans-60.1-50.1175.5-67.4168.4000110I80 P81 V82 I86 T87 L88I80-I84 HydrophobicContact CG2-CD1 3.77Å; I80-I84 HydrophobicContact CG2-CG1 4.43Å; I80-I84 WeakPolarHBondContact O-CG1 3.25Å; I80-I84 PolarHBondContact O-N 3.19Å; P81-I84 PolarHBondContact O-N 3.05Å; V82-I84 PolarHBondContact O-N 2.86Å; I84-I86 VanDerWaalsContact C-N 3.32Å; I84-I86 PolarHBondContact O-N 3.32Å; I84-T87 WeakPolarHBondContact CA-OG1 3.29Å; I84-T87 PolarHBondContact O-N 2.97Å; I84-T87 PolarHBondContact O-OG1 3.2Å; I84-L88 HydrophobicContact CG2-CD1 3.71Å; I84-L88 HydrophobicContact CG2-CG 4.06Å; I84-L88 VanDerWaalsContact O-CG 3.31Å; I84-L88 WeakPolarHBondContact O-CG 3.24Å; I84-L88 PolarHBondContact O-N 3.41Å
85F93.4Very high91Very high141 Ų14185.8 Ų85.862%0.61848%0.483SS*.Hα-helixtrans-55.1-47.2179.9-178.6-98.5000112.1P81 V82 T87 L88 V89P81-F85 WeakPolarHBondContact O-CB 3.47Å; P81-F85 PolarHBondContact O-N 3.42Å; V82-F85 PolarHBondContact O-N 2.85Å; F85-T87 VanDerWaalsContact C-N 3.34Å; F85-T87 PolarHBondContact O-N 3.41Å; F85-L88 PolarHBondContact O-N 2.95Å; F85-V89 HydrophobicContact CD1-CG2 4.25Å; F85-V89 HydrophobicContact CE1-CG2 3.85Å; F85-V89 HydrophobicContact CE2-CG2 4.32Å; F85-V89 HydrophobicContact CZ-CG2 3.89Å; F85-V89 WeakPolarHBondContact O-CG2 3.34Å; F85-V89 PolarHBondContact O-N 2.91Å
86I90.2Very high90Very high59 Ų5983.3 Ų83.330%0.30348%0.478SS..Hα-helixtrans-60.7-43.8176.5-67.2165000111.1V82 A83 I84 L88 N90 A118V82-I86 HydrophobicContact CG1-CD1 3.77Å; V82-I86 HydrophobicContact CG1-CG1 4.49Å; V82-I86 WeakPolarHBondContact O-CD1 3.3Å; V82-I86 VanDerWaalsContact O-CG1 3.25Å; V82-I86 WeakPolarHBondContact O-CG1 3.49Å; V82-I86 PolarHBondContact O-N 3.01Å; A83-I86 PolarHBondContact O-N 2.84Å; I84-I86 VanDerWaalsContact C-N 3.32Å; I84-I86 PolarHBondContact O-N 3.32Å; I86-L88 VanDerWaalsContact C-N 3.34Å; I86-N90 WeakPolarHBondContact O-CB 3.28Å; I86-N90 PolarHBondContact O-N 3.1Å; I86-A118 HydrophobicContact CD1-CB 4.45Å; I86-A118 HydrophobicContact CG2-CB 3.54Å
87T89.6Confident88.7Confident80 Ų8090.1 Ų90.149%0.49150%0.503SS..Hα-helixtrans-64.7-38.6178.256.10000112.2A83 I84 F85 N90 V91A83-T87 WeakPolarHBondContact O-CG2 3.37Å; A83-T87 PolarHBondContact O-N 3.29Å; A83-T87 PolarHBondContact O-OG1 2.81Å; I84-T87 WeakPolarHBondContact CA-OG1 3.29Å; I84-T87 PolarHBondContact O-N 2.97Å; I84-T87 PolarHBondContact O-OG1 3.2Å; F85-T87 VanDerWaalsContact C-N 3.34Å; F85-T87 PolarHBondContact O-N 3.41Å; T87-N90 PolarHBondContact O-N 3.42Å; T87-V91 WeakPolarHBondContact O-CB 3.35Å; T87-V91 VanDerWaalsContact O-CG2 3.28Å; T87-V91 WeakPolarHBondContact O-CG2 3.36Å; T87-V91 PolarHBondContact O-N 3.3Å
88L91.4Very high87.7Confident84 Ų8493.7 Ų93.744%0.4452%0.521SS..Hα-helixtrans-66.6-48177.9-66.1172.2000110.9I84 F85 I86 N90 V91 F92I84-L88 HydrophobicContact CG2-CD1 3.71Å; I84-L88 HydrophobicContact CG2-CG 4.06Å; I84-L88 VanDerWaalsContact O-CG 3.31Å; I84-L88 WeakPolarHBondContact O-CG 3.24Å; I84-L88 PolarHBondContact O-N 3.41Å; F85-L88 PolarHBondContact O-N 2.95Å; I86-L88 VanDerWaalsContact C-N 3.34Å; L88-N90 VanDerWaalsContact C-N 3.25Å; L88-N90 PolarHBondContact O-N 3.42Å; L88-V91 PolarHBondContact O-N 3.5Å; L88-F92 HydrophobicContact CB-CD2 4.24Å; L88-F92 HydrophobicContact CD2-CD2 4.28Å; L88-F92 HydrophobicContact CD2-CE2 3.7Å; L88-F92 WeakPolarHBondContact O-CB 3.29Å; L88-F92 VanDerWaalsContact O-CD2 3.24Å; L88-F92 WeakPolarHBondContact O-CD2 3.3Å; L88-F92 PolarHBondContact O-N 3.4Å
89V88.9Confident86.8Confident52 Ų5293.3 Ų93.332%0.31553%0.527SS..Hα-helixtrans-55.6-44.11751680000110.6F85 V91 I93 G94F85-V89 HydrophobicContact CD1-CG2 4.25Å; F85-V89 HydrophobicContact CE1-CG2 3.85Å; F85-V89 HydrophobicContact CE2-CG2 4.32Å; F85-V89 HydrophobicContact CZ-CG2 3.89Å; F85-V89 WeakPolarHBondContact O-CG2 3.34Å; F85-V89 PolarHBondContact O-N 2.91Å; V89-V91 PolarHBondContact O-N 3.08Å; V89-I93 HydrophobicContact CB-CD1 4.37Å; V89-I93 HydrophobicContact CG1-CD1 3.95Å; V89-I93 HydrophobicContact CG2-CD1 4.3Å; V89-I93 VanDerWaalsContact O-CB 3.31Å; V89-I93 WeakPolarHBondContact O-CB 3.31Å; V89-I93 PolarHBondContact O-N 2.88Å; V89-G94 PolarHBondContact O-N 3.32Å
90N86.4Confident86Confident76 Ų76100.7 Ų100.741%0.40655%0.552SS.*Hα-helixtrans-69.5-33.1-178.7-166.555.6000113.8I86 T87 L88I86-N90 WeakPolarHBondContact O-CB 3.28Å; I86-N90 PolarHBondContact O-N 3.1Å; T87-N90 PolarHBondContact O-N 3.42Å; L88-N90 VanDerWaalsContact C-N 3.25Å; L88-N90 PolarHBondContact O-N 3.42Å
91V89.3Confident85.2Confident111 Ų111100.4 Ų100.467%0.67355%0.551SS**Hα-helixtrans-79.8-40.1179.5169.90000111.8T87 L88 V89T87-V91 WeakPolarHBondContact O-CB 3.35Å; T87-V91 VanDerWaalsContact O-CG2 3.28Å; T87-V91 WeakPolarHBondContact O-CG2 3.36Å; T87-V91 PolarHBondContact O-N 3.3Å; L88-V91 PolarHBondContact O-N 3.5Å; V89-V91 PolarHBondContact O-N 3.08Å
92F88.4Confident84.7Confident163 Ų163101.1 Ų101.172%0.71556%0.556SS**Hα-helixtrans-92.6-37.3-173.1-68.7-66.9000114.2L88L88-F92 HydrophobicContact CB-CD2 4.24Å; L88-F92 HydrophobicContact CD2-CD2 4.28Å; L88-F92 HydrophobicContact CD2-CE2 3.7Å; L88-F92 WeakPolarHBondContact O-CB 3.29Å; L88-F92 VanDerWaalsContact O-CD2 3.24Å; L88-F92 WeakPolarHBondContact O-CD2 3.3Å; L88-F92 PolarHBondContact O-N 3.4Å
93I84.6Confident83.9Confident134 Ų134106.6 Ų106.669%0.68758%0.576SS**THydrogen-bonded Turntrans-93.6-38.4-178.4-62.9158.8000110.7V89V89-I93 HydrophobicContact CB-CD1 4.37Å; V89-I93 HydrophobicContact CG1-CD1 3.95Å; V89-I93 HydrophobicContact CG2-CD1 4.3Å; V89-I93 VanDerWaalsContact O-CB 3.31Å; V89-I93 WeakPolarHBondContact O-CB 3.31Å; V89-I93 PolarHBondContact O-N 2.88Å
94G75.1Confident83.4Confident34 Ų34108.2 Ų108.235%0.35160%0.598SS.*  trans73.7-176.4-177.100000113.3V89V89-G94 PolarHBondContact O-N 3.32Å
95Q73.8Confident82.9Confident103 Ų103109.4 Ų109.448%0.48160%0.597SS.*PPolyproline II helixtrans-86.1139.7176-66.1-170.9-36.100110.3E97Q95-E97 PolarHBondContact O-N 3.1Å
96A74.6Confident82.6Confident52 Ų52108.7 Ų108.743%0.4360%0.604SS.*PPolyproline II helixtrans-64.8133172.900000110.5K114A96-K114 HydrophobicContact CB-CG 4.34Å; A96-K114 WeakPolarHBondContact O-CE 3.38Å
97E70Confident82.4Confident184 Ų184106.9 Ų106.986%0.8660%0.596SS**PPolyproline II helixtrans-86.5143.1171.3-67.1-172.4165.700110Q95 A99Q95-E97 PolarHBondContact O-N 3.1Å; E97-A99 PolarHBondContact O-N 3.05Å
98L76.4Confident82.2Confident178 Ų178107.9 Ų107.993%0.93260%0.595SS**  trans-79.1110.5176.3-175.167.3000107.9
99A77Confident82Confident81 Ų81110.1 Ų110.167%0.66960%0.603SS**PPolyproline II helixtrans-103.8149.4172.100000110E97E97-A99 PolarHBondContact O-N 3.05Å
100E78.3Confident81.8Confident190 Ų190115.1 Ų115.189%0.88862%0.616SS**PPolyproline II helixtrans-66.3141.7171.9-68.1176.8-178.200109.8P102E100-P102 WeakPolarHBondContact O-CD 3.11Å
101I81.1Confident81.5Confident96 Ų96115 Ų11549%0.49261%0.614SS.*PPolyproline II helixtrans-67.3121.9-179.3-59.5169.7000107.6Y105 P107I101-Y105 WeakPolarHBondContact CG2-O 3.29Å; I101-P107 HydrophobicContact CD1-CG 4.08Å; I101-P107 HydrophobicContact CG1-CG 4.16Å; I101-P107 HydrophobicContact CG2-CG 4.06Å
102P84.4Confident81.2Confident85 Ų85116.7 Ų116.755%0.55261%0.609SS**PPolyproline II helixtrans-67.6144.117826.4-31.2000110.8E100 G104 Y105E100-P102 WeakPolarHBondContact O-CD 3.11Å; P102-G104 PolarHBondContact O-N 3.3Å; P102-Y105 PolarHBondContact O-N 3.06Å; P102-Y105 VanDerWaalsContact O-N 3.17Å
103E78.9Confident80.7Confident198 Ų198117.3 Ų117.393%0.92561%0.608SS**THydrogen-bonded Turntrans-59.3124.5-177.9-66.4-66.2171.900111.4
104G84.9Confident80.2Confident85 Ų85116.7 Ų116.788%0.87660%0.6SS**THydrogen-bonded Turntrans89.34.518000000115.9P102P102-G104 PolarHBondContact O-N 3.3Å
105Y84.3Confident79.7Confident112 Ų112117.4 Ų117.444%0.43961%0.607SS.*  trans-104.5131171.5-174-112000111.6I101 P102 P107 E111I101-Y105 WeakPolarHBondContact CG2-O 3.29Å; P102-Y105 PolarHBondContact O-N 3.06Å; P102-Y105 VanDerWaalsContact O-N 3.17Å; Y105-P107 HydrophobicContact CD1-CG 4.32Å; Y105-P107 HydrophobicContact CE1-CB 4.28Å; Y105-P107 HydrophobicContact CE1-CG 4.43Å; Y105-E111 WeakPolarHBondContact CE1-OE2 3.32Å; Y105-E111 PolarHBondContact OH-OE1 3.38Å; Y105-E111 VanDerWaalsContact OH-OE1 3.1Å; Y105-E111 PolarHBondContact OH-OE2 3.12Å
106V86.4Confident79Confident125 Ų125118.8 Ų118.876%0.75861%0.612SS**  trans-102.2110.1171.8-179.70000107.5
107P87.1Confident78.1Confident21 Ų21117.1 Ų117.114%0.13660%0.599CS.*  trans-64.4146.3-179.3-1829.6000111.9I101 Y105 E111 Y112I101-P107 HydrophobicContact CD1-CG 4.08Å; I101-P107 HydrophobicContact CG1-CG 4.16Å; I101-P107 HydrophobicContact CG2-CG 4.06Å; Y105-P107 HydrophobicContact CD1-CG 4.32Å; Y105-P107 HydrophobicContact CE1-CB 4.28Å; Y105-P107 HydrophobicContact CE1-CG 4.43Å; P107-E111 HydrophobicContact CB-CB 4.27Å; P107-E111 WeakPolarHBondContact CB-OE2 3.36Å; P107-Y112 HydrophobicContact CB-CE1 4.34Å; P107-Y112 HydrophobicContact CB-CE2 4.18Å; P107-Y112 HydrophobicContact CG-CE1 4.31Å
108E84.7Confident77.3Confident101 Ų101110.9 Ų110.947%0.47258%0.58SS.*  trans-70.5152.5169.1-76.8-66.316400111.5W110 E111E108-W110 HydrophobicContact CB-CZ2 4.31Å; E108-W110 PolarHBondContact O-N 3.36Å; E108-E111 HydrophobicContact CB-CG 4.3Å; E108-E111 WeakPolarHBondContact O-CB 3.15Å; E108-E111 PolarHBondContact O-N 3.48Å
109H86.7Confident76.2Confident132 Ų132104.4 Ų104.461%0.61156%0.556SS**THydrogen-bonded Turntrans-57.8-21.1-173.363.6-80.9000114.8Y113H109-Y113 VanDerWaalsContact O-CE2 3.29Å; H109-Y113 WeakPolarHBondContact O-CE2 3.19Å
110W85.1Confident75.1Confident156 Ų156101.2 Ų101.259%0.59153%0.529SS*.THydrogen-bonded Turntrans-89.6-16.4179.154.8-92.3000113.8E108 Y112 Y113E108-W110 HydrophobicContact CB-CZ2 4.31Å; E108-W110 PolarHBondContact O-N 3.36Å; W110-Y112 VanDerWaalsContact C-N 3.25Å; W110-Y112 PolarHBondContact O-N 3.42Å; W110-Y113 PolarHBondContact O-N 3.09Å
111E81.6Confident74.2Confident74 Ų7495.1 Ų95.135%0.34651%0.511SS..THydrogen-bonded Turntrans-73.1-21-179.8-66176.8-165.900112.3Y105 P107 E108 Y113Y105-E111 WeakPolarHBondContact CE1-OE2 3.32Å; Y105-E111 PolarHBondContact OH-OE1 3.38Å; Y105-E111 VanDerWaalsContact OH-OE1 3.1Å; Y105-E111 PolarHBondContact OH-OE2 3.12Å; P107-E111 HydrophobicContact CB-CB 4.27Å; P107-E111 WeakPolarHBondContact CB-OE2 3.36Å; E108-E111 HydrophobicContact CB-CG 4.3Å; E108-E111 WeakPolarHBondContact O-CB 3.15Å; E108-E111 PolarHBondContact O-N 3.48Å; E111-Y113 PolarHBondContact O-N 3.44Å
112Y82Confident72.9Confident146 Ų14698.8 Ų98.857%0.57352%0.523SS*.THydrogen-bonded Turntrans-68.9-15.7173.7-62.7-71000113.4P107 W110P107-Y112 HydrophobicContact CB-CE1 4.34Å; P107-Y112 HydrophobicContact CB-CE2 4.18Å; P107-Y112 HydrophobicContact CG-CE1 4.31Å; W110-Y112 VanDerWaalsContact C-N 3.25Å; W110-Y112 PolarHBondContact O-N 3.42Å
113Y78.7Confident71.6Confident176 Ų17699.9 Ų99.969%0.6952%0.523SS*.SBendtrans-92.6118.3-177.4-61.1-71.5000111.7H109 W110 E111 G115H109-Y113 VanDerWaalsContact O-CE2 3.29Å; H109-Y113 WeakPolarHBondContact O-CE2 3.19Å; W110-Y113 PolarHBondContact O-N 3.09Å; E111-Y113 PolarHBondContact O-N 3.44Å; Y113-G115 PolarHBondContact O-N 2.94Å
114K72.7Confident70.7Confident121 Ų12192.3 Ų92.353%0.52649%0.489SS..  trans-65.7116.3165.5-156.8-179.8-166.6-176.40108.8A96 K116A96-K114 HydrophobicContact CB-CG 4.34Å; A96-K114 WeakPolarHBondContact O-CE 3.38Å; K114-K116 PolarHBondContact O-N 3.26Å
115G65.5Low69.5Low49 Ų4990.9 Ų90.951%0.50547%0.469SS..  trans-57.699.9174.700000111.3Y113 G117Y113-G115 PolarHBondContact O-N 2.94Å; G115-G117 PolarHBondContact O-N 3.2Å
116K58.7Low68Low133 Ų13388.7 Ų88.758%0.57847%0.469SS*.  trans-85.393.4-179.1-77.2-169.2170.6-167.70110.3K114 S120 D124K114-K116 PolarHBondContact O-N 3.26Å; K116-S120 VanDerWaalsContact CD-OG 3.25Å; K116-S120 WeakPolarHBondContact CD-OG 3.29Å; K116-S120 VanDerWaalsContact CE-OG 3.28Å; K116-S120 WeakPolarHBondContact CE-OG 3.37Å; K116-S120 WeakPolarHBondContact CG-OG 3.35Å; K116-D124 IonicContact NZ-OD1 3.71Å; K116-D124 IonicContact NZ-OD2 2.74Å; K116-D124 PolarHBondContact NZ-OD2 3.44Å
117G55.3Low66.7Low16 Ų1688.7 Ų88.717%0.16546%0.461CS..  trans-60.6154.2161.400000111.1G115 G119 S120G115-G117 PolarHBondContact O-N 3.2Å; G117-G119 PolarHBondContact O-N 3.1Å; G117-S120 PolarHBondContact O-N 3.47Å
118A54.3Low65.5Low54 Ų5495.5 Ų95.545%0.44648%0.484SS..Hα-helixtrans-55.9-11.1-172.100000116.3I86I86-A118 HydrophobicContact CD1-CB 4.45Å; I86-A118 HydrophobicContact CG2-CB 3.54Å
119G52.8Low64.4Low42 Ų42100.1 Ų100.143%0.43350%0.497SS..Hα-helixtrans-65.7-33.216800000113.8G117 A121 K122 I123G117-G119 PolarHBondContact O-N 3.1Å; G119-A121 PolarHBondContact O-N 3.14Å; G119-K122 PolarHBondContact O-N 2.81Å; G119-I123 WeakPolarHBondContact O-CG1 3.13Å; G119-I123 PolarHBondContact O-N 3.16Å
120S54.7Low62.7Low14 Ų14102 Ų10210%0.09850%0.499CS..Hα-helixtrans-66.2-37.8178.8-171.50000111.9K116 G117 K122 I123 D124K116-S120 VanDerWaalsContact CD-OG 3.25Å; K116-S120 WeakPolarHBondContact CD-OG 3.29Å; K116-S120 VanDerWaalsContact CE-OG 3.28Å; K116-S120 WeakPolarHBondContact CE-OG 3.37Å; K116-S120 WeakPolarHBondContact CG-OG 3.35Å; G117-S120 PolarHBondContact O-N 3.47Å; S120-K122 VanDerWaalsContact C-N 3.3Å; S120-K122 PolarHBondContact O-N 3.19Å; S120-I123 PolarHBondContact O-N 2.74Å; S120-D124 WeakPolarHBondContact O-CB 3.28Å; S120-D124 PolarHBondContact O-N 3.41Å; S120-D124 VanDerWaalsContact O-OD2 3.13Å; S120-D124 PolarHBondContact OG-OD2 2.88Å
121A57.8Low61.6Low62 Ų6298.4 Ų98.451%0.51249%0.494SS..Hα-helixtrans-66-30.9-177.900000113G119 A125G119-A121 PolarHBondContact O-N 3.14Å; A121-A125 WeakPolarHBondContact O-CB 3.42Å; A121-A125 PolarHBondContact O-N 2.85Å
122K55.1Low60.7Low172 Ų172101.2 Ų101.275%0.74851%0.511SS*.Hα-helixtrans-73.5-37.3175.6-76.1-171.1-179.7177.80112.4G119 S120 C126G119-K122 PolarHBondContact O-N 2.81Å; S120-K122 VanDerWaalsContact C-N 3.3Å; S120-K122 PolarHBondContact O-N 3.19Å; K122-C126 VanDerWaalsContact O-CB 3.27Å; K122-C126 WeakPolarHBondContact O-CB 3.28Å; K122-C126 PolarHBondContact O-N 3Å
123I57.4Low59.9Low109 Ų10999.5 Ų99.556%0.55952%0.516SS*.Hα-helixtrans-67.6-48.7176.2-56.7166.6000108.7G119 S120 A125 C126 E127G119-I123 WeakPolarHBondContact O-CG1 3.13Å; G119-I123 PolarHBondContact O-N 3.16Å; S120-I123 PolarHBondContact O-N 2.74Å; I123-A125 VanDerWaalsContact C-N 3.32Å; I123-A125 PolarHBondContact O-N 3.09Å; I123-C126 PolarHBondContact O-N 3.03Å; I123-E127 VanDerWaalsContact O-CB 3.32Å; I123-E127 WeakPolarHBondContact O-CB 3.37Å; I123-E127 PolarHBondContact O-N 3.15Å
124D58.6Low58.8Low38 Ų3898.3 Ų98.320%0.20352%0.52CS..Hα-helixtrans-63.3-32.4178.1-65.4-31.4000113.3K116 S120 R128K116-D124 IonicContact NZ-OD1 3.71Å; K116-D124 IonicContact NZ-OD2 2.74Å; K116-D124 PolarHBondContact NZ-OD2 3.44Å; S120-D124 WeakPolarHBondContact O-CB 3.28Å; S120-D124 PolarHBondContact O-N 3.41Å; S120-D124 VanDerWaalsContact O-OD2 3.13Å; S120-D124 PolarHBondContact OG-OD2 2.88Å; D124-R128 VanDerWaalsContact O-CB 3.29Å; D124-R128 WeakPolarHBondContact O-CB 3.22Å; D124-R128 WeakPolarHBondContact O-CG 3.43Å; D124-R128 PolarHBondContact O-N 2.9Å; D124-R128 VanDerWaalsContact O-N 3.08Å; D124-R128 PolarHBondContact O-NE 3.34Å
125A59.2Low58Low55 Ų55102.3 Ų102.346%0.45555%0.546SS..Hα-helixtrans-78.9-35.1176.500000112.5A121 I123 R129A121-A125 WeakPolarHBondContact O-CB 3.42Å; A121-A125 PolarHBondContact O-N 2.85Å; I123-A125 VanDerWaalsContact C-N 3.32Å; I123-A125 PolarHBondContact O-N 3.09Å; A125-R129 WeakPolarHBondContact O-CB 3.4Å; A125-R129 PolarHBondContact O-N 3.08Å; A125-R129 VanDerWaalsContact O-N 3.12Å
126C53.6Low57.6Low67 Ų67105 Ų10545%0.45355%0.548SS..Hα-helixtrans-64.6-48.3172.3-167.20000109.9K122 I123 R128 R129 W130K122-C126 VanDerWaalsContact O-CB 3.27Å; K122-C126 WeakPolarHBondContact O-CB 3.28Å; K122-C126 PolarHBondContact O-N 3Å; I123-C126 PolarHBondContact O-N 3.03Å; C126-R128 PolarHBondContact O-N 3.27Å; C126-R129 WeakPolarHBondContact O-CB 3.2Å; C126-R129 PolarHBondContact O-N 3.39Å; C126-R129 VanDerWaalsContact O-N 3.08Å; C126-W130 PolarHBondContact O-N 2.92Å; C126-W130 VanDerWaalsContact O-N 3.09Å
127E59.4Low57.6Low124 Ų124103.5 Ų103.558%0.57955%0.547SS*.Hα-helixtrans-65.1-39.9-179.4-167.8164.2-172.600112.8I123 R129 W130 T131I123-E127 VanDerWaalsContact O-CB 3.32Å; I123-E127 WeakPolarHBondContact O-CB 3.37Å; I123-E127 PolarHBondContact O-N 3.15Å; E127-R129 VanDerWaalsContact C-N 3.29Å; E127-R129 PolarHBondContact O-N 2.94Å; E127-W130 PolarHBondContact O-N 2.73Å; E127-T131 WeakPolarHBondContact O-CG2 3.45Å; E127-T131 PolarHBondContact O-N 2.88Å; E127-T131 PolarHBondContact O-OG1 3.01Å
128R60.9Low57.7Low165 Ų165108.3 Ų108.362%0.62357%0.568SS**Hα-helixtrans-64.7-30.9170.9-80.7-171.4-81.1-158.5-3.1113.8D124 C126 T131 L132D124-R128 VanDerWaalsContact O-CB 3.29Å; D124-R128 WeakPolarHBondContact O-CB 3.22Å; D124-R128 WeakPolarHBondContact O-CG 3.43Å; D124-R128 PolarHBondContact O-N 2.9Å; D124-R128 VanDerWaalsContact O-N 3.08Å; D124-R128 PolarHBondContact O-NE 3.34Å; C126-R128 PolarHBondContact O-N 3.27Å; R128-T131 VanDerWaalsContact CA-OG1 3.26Å; R128-T131 WeakPolarHBondContact CA-OG1 3.4Å; R128-T131 PolarHBondContact O-OG1 3.25Å; R128-T131 VanDerWaalsContact O-OG1 3.1Å; R128-L132 WeakPolarHBondContact O-CB 3.33Å; R128-L132 WeakPolarHBondContact O-CD1 3.43Å; R128-L132 WeakPolarHBondContact O-CG 3.42Å; R128-L132 PolarHBondContact O-N 2.76Å
129R61.6Low57.9Low198 Ų198111.5 Ų111.575%0.74758%0.575SS**Hα-helixtrans-73.1-33.8176.7-165.2175.2-163-116.41.3112.3A125 C126 E127 V133A125-R129 WeakPolarHBondContact O-CB 3.4Å; A125-R129 PolarHBondContact O-N 3.08Å; A125-R129 VanDerWaalsContact O-N 3.12Å; C126-R129 WeakPolarHBondContact O-CB 3.2Å; C126-R129 PolarHBondContact O-N 3.39Å; C126-R129 VanDerWaalsContact O-N 3.08Å; E127-R129 VanDerWaalsContact C-N 3.29Å; E127-R129 PolarHBondContact O-N 2.94Å; R129-V133 WeakPolarHBondContact O-CG2 3.48Å
130W52.6Low58.2Low171 Ų171115.9 Ų115.965%0.64858%0.584SS**Hα-helixtrans-76.5-36.6175.8-74.3102.6000112.7C126 E127 V133 L134C126-W130 PolarHBondContact O-N 2.92Å; C126-W130 VanDerWaalsContact O-N 3.09Å; E127-W130 PolarHBondContact O-N 2.73Å; W130-V133 PolarHBondContact O-N 3.34Å; W130-L134 PolarHBondContact O-N 2.85Å
131T62Low58.4Low80 Ų80122.7 Ų122.749%0.49162%0.616SS.*Hα-helixtrans-68.5-34.4176.845.20000113.4E127 R128 V133 L134E127-T131 WeakPolarHBondContact O-CG2 3.45Å; E127-T131 PolarHBondContact O-N 2.88Å; E127-T131 PolarHBondContact O-OG1 3.01Å; R128-T131 VanDerWaalsContact CA-OG1 3.26Å; R128-T131 WeakPolarHBondContact CA-OG1 3.4Å; R128-T131 PolarHBondContact O-OG1 3.25Å; R128-T131 VanDerWaalsContact O-OG1 3.1Å; T131-V133 VanDerWaalsContact C-N 3.29Å; T131-V133 PolarHBondContact O-N 3.1Å; T131-L134 PolarHBondContact O-N 2.65Å
132L61.4Low58.5Low134 Ų134127 Ų12770%0.70262%0.624SS**THydrogen-bonded Turntrans-73.8-15.7173.6-74.1169.4000114.4R128R128-L132 WeakPolarHBondContact O-CB 3.33Å; R128-L132 WeakPolarHBondContact O-CD1 3.43Å; R128-L132 WeakPolarHBondContact O-CG 3.42Å; R128-L132 PolarHBondContact O-N 2.76Å
133V65.5Low58.8Low110 Ų110123.5 Ų123.567%0.66761%0.614SS**THydrogen-bonded Turntrans-92.6-16.8177.1171.30000111.6R129 W130 T131R129-V133 WeakPolarHBondContact O-CG2 3.48Å; W130-V133 PolarHBondContact O-N 3.34Å; T131-V133 VanDerWaalsContact C-N 3.29Å; T131-V133 PolarHBondContact O-N 3.1Å
134L55.4Low58.9Low150 Ų150124.8 Ų124.879%0.78562%0.619SS**  trans-97.48.5-179.7-107.7136.4000113.5W130 T131W130-L134 PolarHBondContact O-N 2.85Å; T131-L134 PolarHBondContact O-N 2.65Å
135L56.1Low58.9Low205 Ų205132.6 Ų132.6100%1.07366%0.657SS**  trans-120.90179.9-144.4153.2000108.9

Retrieved 135 of 135 residues in 19.4 ms (Link to these results)