A0A087WPC5_MOUSE Loading...

High density lipoprotein (HDL) binding protein

AlphaFold DB , UniProt , Accession A0A087WPC5, Species MOUSE (Mus musculus, Mouse), Gene Hdlbp, Length 141 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
1M41.7Very low51.2Low245 Ų245134.1 Ų134.1100%1.20778%0.781SS**  0103.80-66.7152.595.300106.1
2S46Very low50.9Low118 Ų118135.9 Ų135.983%0.82577%0.773SS**  trans-89.5115.9-172.8-171.40000109.2V4S2-V4 PolarHBondContact O-N 3.21Å
3S52Low50.9Low122 Ų122130.8 Ų130.885%0.85376%0.757SS**  trans-73.9111.1177.1-86.50000110.2A5S3-A5 PolarHBondContact O-N 2.8Å
4V48.6Very low50.8Low124 Ų124134 Ų13475%0.75276%0.762SS**  trans-74.3110.7162.8166.90000107.3S2 V6S2-V4 PolarHBondContact O-N 3.21Å; V4-V6 HydrophobicContact CG1-CG2 4.4Å; V4-V6 PolarHBondContact O-N 2.9Å
5A60.8Low50.6Low95 Ų95137.7 Ų137.779%0.78577%0.77SS**  trans-74.9107.416800000108.3S3 L7S3-A5 PolarHBondContact O-N 2.8Å; A5-L7 PolarHBondContact O-N 3Å
6V55.1Low50.5Low114 Ų114143.3 Ų143.369%0.69178%0.775SS**  trans-71.9108.2168.9176.20000106.8V4 T8V4-V6 HydrophobicContact CG1-CG2 4.4Å; V4-V6 PolarHBondContact O-N 2.9Å; V6-T8 HydrophobicContact CG1-CG2 4.47Å; V6-T8 PolarHBondContact O-N 3.44Å
7L54.1Low50.4Low140 Ų140141.6 Ų141.673%0.73378%0.777SS**  trans-70.798.3174-15382.8000107.7A5 F12A5-L7 PolarHBondContact O-N 3Å; L7-F12 HydrophobicContact CD2-CE2 4.39Å
8T58.5Low50.2Low87 Ų87137.5 Ų137.553%0.53477%0.772SS.*  trans-69.7142.9175.951.40000109.7V6 E10 S11V6-T8 HydrophobicContact CG1-CG2 4.47Å; V6-T8 PolarHBondContact O-N 3.44Å; T8-E10 PolarHBondContact O-N 2.66Å; T8-S11 PolarHBondContact O-N 2.92Å
9Q49.4Very low49.8Very low180 Ų180139.2 Ų139.284%0.84178%0.778SS**G310 helixtrans-63.1-5.8-173.9-172.2147.7-2.700114.4
10E47.9Very low49.4Very low163 Ų163137.7 Ų137.776%0.76277%0.772SS**G310 helixtrans-79.2-13.3-178.4-66.4-170.295.800113.9T8 F12 A13T8-E10 PolarHBondContact O-N 2.66Å; E10-F12 VanDerWaalsContact C-N 3.25Å; E10-F12 PolarHBondContact O-N 2.89Å; E10-A13 PolarHBondContact O-N 3.18Å
11S49.1Very low48.9Very low87 Ų87137.2 Ų137.261%0.60878%0.775SS**G310 helixtrans-72.2-11.8-179.5-1730000114.8T8T8-S11 PolarHBondContact O-N 2.92Å
12F47.9Very low48.7Very low156 Ų156132.6 Ų132.668%0.68475%0.751SS**G310 helixtrans-94.7-5.1-178.8-68.3-83.5000113.8L7 E10L7-F12 HydrophobicContact CD2-CE2 4.39Å; E10-F12 VanDerWaalsContact C-N 3.25Å; E10-F12 PolarHBondContact O-N 2.89Å
13A50.1Low48.7Very low69 Ų69136.5 Ų136.557%0.5776%0.756SS**SBendtrans-82.9-20.4-171.800000114.2E10 H15 R16E10-A13 PolarHBondContact O-N 3.18Å; A13-H15 VanDerWaalsContact C-N 3.3Å; A13-H15 PolarHBondContact O-N 2.73Å; A13-R16 PolarHBondContact O-N 3.11Å
14E50.3Low48Very low176 Ų176137.6 Ų137.682%0.82275%0.751SS**THydrogen-bonded Turntrans-75.5-16.4-171-135.2150.411100114
15H47.3Very low47.5Very low189 Ų189141.1 Ų141.188%0.87576%0.756SS**THydrogen-bonded Turntrans-97.94.7176.1-69.5-72.9000114.6A13A13-H15 VanDerWaalsContact C-N 3.3Å; A13-H15 PolarHBondContact O-N 2.73Å
16R48.9Very low46.4Very low227 Ų227143.3 Ų143.386%0.85776%0.759SS**  trans-102.74.6-179.3-152.9176.3-177.1-102.20.4114.1A13 G18A13-R16 PolarHBondContact O-N 3.11Å; R16-G18 PolarHBondContact O-N 2.93Å
17S48.9Very low45.5Very low116 Ų116142.3 Ų142.381%0.81176%0.763SS**  trans-95.679.9-179.3-158.90000111.2
18G47.5Very low45Very low67 Ų67141.5 Ų141.569%0.69176%0.764SS**  trans-151.13.3177.300000116.2R16R16-G18 PolarHBondContact O-N 2.93Å
19L41.6Very low43.8Very low170 Ų170145 Ų14589%0.8978%0.779SS**  trans-128.579.5175.2-77.2168.2000109.9
20V41.9Very low43.4Very low108 Ų108143.8 Ų143.866%0.65578%0.778SS**  trans-82.3123.4157.6-175.50000106.6Q22V20-Q22 HydrophobicContact CG1-CG 4Å; V20-Q22 PolarHBondContact O-N 3.27Å
21P40.1Very low43.3Very low129 Ų129141.7 Ų141.784%0.83878%0.781SS**  trans-73.384.5167.1-7.524.1000108.1
22Q36.8Very low42.8Very low148 Ų148146.8 Ų146.869%0.69280%0.796SS**  trans-81.5116.7163.4-84.6-172.720.600108.6V20 I24V20-Q22 HydrophobicContact CG1-CG 4Å; V20-Q22 PolarHBondContact O-N 3.27Å; Q22-I24 HydrophobicContact CB-CG1 4.38Å; Q22-I24 WeakPolarHBondContact O-CG1 3.42Å; Q22-I24 PolarHBondContact O-N 3.06Å
23Q45.1Very low43Very low199 Ų199148.7 Ų148.793%0.9381%0.807SS**  trans-57.1101.3168.5-171.21806.500109
24I39Very low43.3Very low145 Ų145154.2 Ų154.274%0.74482%0.821SS**  trans-105.8118.1-178.7-66.1162.2000110.5Q22Q22-I24 HydrophobicContact CB-CG1 4.38Å; Q22-I24 WeakPolarHBondContact O-CG1 3.42Å; Q22-I24 PolarHBondContact O-N 3.06Å
25K37.2Very low43.5Very low199 Ų199153.2 Ų153.287%0.86582%0.821SS**  trans-62.1133.8168.2-172.2178.6-178.1-177.50109.8A27K25-A27 PolarHBondContact O-N 3.29Å
26V37.8Very low44.3Very low140 Ų140151.5 Ų151.585%0.84882%0.818SS**  trans-50.1125.7179.5178.10000112.6
27A35.8Very low45.4Very low94 Ų94145.6 Ų145.678%0.77781%0.809SS**  trans-152.7114.2154.100000109.9K25K25-A27 PolarHBondContact O-N 3.29Å
28T43.8Very low46.8Very low122 Ų122145.1 Ų145.175%0.74880%0.803SS**  trans-53129.2170.5-53.50000112.7
29L33.9Very low48.5Very low162 Ų162146 Ų14685%0.84880%0.795SS**  trans-162.5151.1142-76.2-166.2000109.9
30N39.6Very low50.4Low153 Ų153145.6 Ų145.682%0.81878%0.783SS**  trans-73163.9-162.9-60.7-65.2000116.6
31S46.2Very low52.3Low119 Ų119147.6 Ų147.683%0.83278%0.783SS**  trans10282.6154.9-153.20000116.4
32E38.5Very low54.2Low195 Ų195147.4 Ų147.491%0.91178%0.775SS**  trans-139.784.7173-56.8-176.8165.900109.9
33E53.1Low56.5Low196 Ų196142.8 Ų142.892%0.91676%0.762SS**  trans-136.453.6165.2-160-175.9152.600109
34E55.8Low58.4Low185 Ų185139.6 Ų139.686%0.86475%0.746SS**SBendtrans-16345.4172.6-148.3-167.2121.300114.7
35N54.7Low60.6Low154 Ų154137.1 Ų137.182%0.82474%0.739SS**  trans-156.316.7162.3-142.3-107.3000117.3
36D63.8Low62.7Low154 Ų154133.3 Ų133.382%0.82473%0.734SS**SBendtrans-83126.8169.6-79.1-37.6000109.5
37P71.9Confident64.7Low103 Ų103134 Ų13467%0.66973%0.733SS**PPolyproline II helixtrans-56.6133.6170.124.4-31.6000107.5T39P37-T39 PolarHBondContact O-N 3.16Å; P37-T39 VanDerWaalsContact O-N 3.11Å
38P77.9Confident66.7Low105 Ų105135.3 Ų135.368%0.68273%0.733SS**PPolyproline II helixtrans-52.7125.9-174.719.4-31.2000109.3Y40P38-Y40 PolarHBondContact O-N 3.2Å
39T83.6Confident67.7Low86 Ų86138.5 Ų138.553%0.52874%0.74SS.*PPolyproline II helixtrans-60.6138.3179.5-66.50000107.5P37 K41 D42 A43P37-T39 PolarHBondContact O-N 3.16Å; P37-T39 VanDerWaalsContact O-N 3.11Å; T39-K41 HydrophobicContact CG2-CB 4.2Å; T39-K41 HydrophobicContact CG2-CG 4.22Å; T39-K41 PolarHBondContact O-N 3.49Å; T39-D42 PolarHBondContact O-N 2.98Å; T39-A43 PolarHBondContact O-N 3.46Å
40Y82.6Confident68.7Low161 Ų161140.6 Ų140.663%0.63174%0.742SS**Hα-helixtrans-49.8-30-177.3-177.3-92.1000113.2P38 F44P38-Y40 PolarHBondContact O-N 3.2Å; Y40-F44 HydrophobicContact CD2-CD2 4.16Å; Y40-F44 HydrophobicContact CE1-CB 4.42Å; Y40-F44 AromaticContact CE2-CD2 3.86Å; Y40-F44 HydrophobicContact CE2-CD2 3.86Å; Y40-F44 HydrophobicContact CE2-CE2 4.29Å; Y40-F44 PolarHBondContact O-N 3.21Å
41K82.1Confident68.9Low151 Ų151137.1 Ų137.166%0.65773%0.734SS**Hα-helixtrans-67.1-33.3176.9-59.4-61.5178.8178.30113.9T39 F44T39-K41 HydrophobicContact CG2-CB 4.2Å; T39-K41 HydrophobicContact CG2-CG 4.22Å; T39-K41 PolarHBondContact O-N 3.49Å; K41-F44 CarbonylContact O-C 3.57Å
42D79.9Confident68.9Low124 Ų124136 Ų13666%0.66373%0.732SS**Hα-helixtrans-80.6-35.7177.7-58.4-43.5000111.1T39 F44T39-D42 PolarHBondContact O-N 2.98Å; D42-F44 VanDerWaalsContact C-N 3.35Å
43A84Confident68.7Low52 Ų52132.8 Ų132.843%0.4373%0.73SS.*Hα-helixtrans-71.5-29.6176.200000112.9T39T39-A43 PolarHBondContact O-N 3.46Å
44F85.6Confident68.1Low132 Ų132130.9 Ų130.958%0.57973%0.725SS**SBendtrans-136.879-179.2-64.3-84.4000110.3Y40 K41 D42Y40-F44 HydrophobicContact CD2-CD2 4.16Å; Y40-F44 HydrophobicContact CE1-CB 4.42Å; Y40-F44 AromaticContact CE2-CD2 3.86Å; Y40-F44 HydrophobicContact CE2-CD2 3.86Å; Y40-F44 HydrophobicContact CE2-CE2 4.29Å; Y40-F44 PolarHBondContact O-N 3.21Å; K41-F44 CarbonylContact O-C 3.57Å; D42-F44 VanDerWaalsContact C-N 3.35Å
45P85.8Confident67.3Low92 Ų92129.8 Ų129.860%0.59772%0.72SS**PPolyproline II helixtrans-58.9148.5173.924.5-33.3000110.3L47P45-L47 PolarHBondContact O-N 3.27Å
46P80Confident66.7Low119 Ų119127.9 Ų127.977%0.77372%0.719SS**PPolyproline II helixtrans-57.6129.6179.321.2-29.3000110
47L80.1Confident65.4Low156 Ų156125.3 Ų125.382%0.81772%0.719SS**PPolyproline II helixtrans-55.9138.3173.4-65.9176.7000108.3P45 E49P45-L47 PolarHBondContact O-N 3.27Å; L47-E49 PolarHBondContact O-N 2.82Å
48P78.6Confident64.4Low121 Ų121129.9 Ų129.979%0.78673%0.731SS**PPolyproline II helixtrans-53.2122.5176.320.2-30.2000108.4K50P48-K50 PolarHBondContact O-N 2.93Å; P48-K50 VanDerWaalsContact O-N 3.11Å
49E63.9Low63Low189 Ų189132.7 Ų132.788%0.88374%0.735SS**PPolyproline II helixtrans-54.8123.2175.3-78.4-177140.700107.1L47 A51L47-E49 PolarHBondContact O-N 2.82Å; E49-A51 PolarHBondContact O-N 2.79Å
50K55.2Low61.2Low206 Ų206133.6 Ų133.690%0.89674%0.743SS**  trans-6095.3171.5-179-176.3177.4-179.20106.3P48 A52P48-K50 PolarHBondContact O-N 2.93Å; P48-K50 VanDerWaalsContact O-N 3.11Å; K50-A52 PolarHBondContact O-N 2.95Å
51A43.9Very low59.5Low79 Ų79128.2 Ų128.265%0.65373%0.731SS**  trans-47.9127.3175.600000107.8E49 C53E49-A51 PolarHBondContact O-N 2.79Å; A51-C53 PolarHBondContact O-N 3Å
52A45Very low58.1Low95 Ų95123.6 Ų123.679%0.78573%0.727SS**  trans-50.7109.2165.200000106.8K50 L54K50-A52 PolarHBondContact O-N 2.95Å; A52-L54 VanDerWaalsContact C-N 3.33Å; A52-L54 PolarHBondContact O-N 3.38Å
53C35.4Very low56.9Low129 Ų129120.8 Ų120.887%0.87272%0.721SS**  trans-69.594.1179.9-174.60000107.6A51A51-C53 PolarHBondContact O-N 3Å
54L39.2Very low55.6Low155 Ų155128.8 Ų128.881%0.81274%0.74SS**  trans-112.3117.2154.7-77.2174.1000107.2A52A52-L54 VanDerWaalsContact C-N 3.33Å; A52-L54 PolarHBondContact O-N 3.38Å
55E39.1Very low54.2Low163 Ų163126.4 Ų126.476%0.76274%0.74SS**SBendtrans40.4118.5155.3-131.582-176.300120.5
56S42.1Very low52.9Low114 Ų114128.3 Ų128.380%0.79775%0.745SS**  trans64.291.4143.3650000119.5
57A38.3Very low52.1Low100 Ų100130.7 Ų130.783%0.82674%0.743SS**  trans-161.9124.3130.100000109.1E59A57-E59 PolarHBondContact O-N 3.01Å
58Q50.6Low51.4Low199 Ų199128.5 Ų128.593%0.9373%0.731SS**  trans-63.1108176.2179.8-176.8-72.900110.2
59E47.2Very low51.2Low164 Ų164133.4 Ų133.477%0.76673%0.734SS**  trans-118.8135.2164.4-112.1-73.711800107.2A57 A61A57-E59 PolarHBondContact O-N 3.01Å; E59-A61 PolarHBondContact O-N 3.27Å
60P46.4Very low51.4Low105 Ų105130 Ų13068%0.68273%0.729SS**  trans-7097-17229.6-29.8000108.3G62P60-G62 PolarHBondContact O-N 3.34Å
61A46.6Very low52.3Low48 Ų48127.5 Ų127.540%0.39772%0.723SS.*  trans-39.8115.6167.500000108.7E59 A63E59-A61 PolarHBondContact O-N 3.27Å; A61-A63 PolarHBondContact O-N 2.9Å
62G53.2Low53.6Low54 Ų54132.8 Ų132.856%0.55773%0.732SS**  trans-43.5141.4-179.800000110.4P60 W64 S65P60-G62 PolarHBondContact O-N 3.34Å; G62-W64 PolarHBondContact O-N 3.23Å; G62-S65 PolarHBondContact O-N 3.05Å
63A55.5Low54.9Low65 Ų65131.8 Ų131.854%0.53772%0.723SS.*THydrogen-bonded Turntrans-53.8-0.7-167.400000116.6A61 K67A61-A63 PolarHBondContact O-N 2.9Å; A63-K67 WeakPolarHBondContact O-CE 3.14Å
64W56Low57.1Low219 Ų219130.5 Ų130.583%0.8372%0.715SS**THydrogen-bonded Turntrans-98.1-19.2176.1-59.3-19.7000114.4G62 I68G62-W64 PolarHBondContact O-N 3.23Å; W64-I68 HydrophobicContact CB-CD1 4.4Å; W64-I68 WeakPolarHBondContact O-CD1 3.16Å; W64-I68 WeakPolarHBondContact O-CG1 3.33Å
65S56.5Low59.7Low83 Ų83127 Ų12758%0.5870%0.7SS**THydrogen-bonded Turntrans-78.2-28.9-175.8-176.20000114.1G62G62-S65 PolarHBondContact O-N 3.05Å
66N58.7Low62.3Low132 Ų132121.3 Ų121.371%0.70668%0.675SS**THydrogen-bonded Turntrans-107.5-2.8-167.6-67.6-22.3000114.8
67K62.8Low64.8Low169 Ų169119.7 Ų119.774%0.73566%0.66SS**THydrogen-bonded Turntrans-110.7-13.4-176-50.1-173.7-167.5-176.90113.5A63A63-K67 WeakPolarHBondContact O-CE 3.14Å
68I65.6Low67.5Low110 Ų110117.6 Ų117.656%0.56463%0.633SS**  trans-100.599.5-175.9-45.7171.5000106.6W64W64-I68 HydrophobicContact CB-CD1 4.4Å; W64-I68 WeakPolarHBondContact O-CD1 3.16Å; W64-I68 WeakPolarHBondContact O-CG1 3.33Å
69R73.7Confident69.6Low223 Ų223111.6 Ų111.684%0.84261%0.61SS**  trans-57.4128.7170.3-149.6-168.2-53.1-127.64.2107I71R69-I71 PolarHBondContact O-N 2.82Å
70P68.7Low71.8Confident119 Ų119107.2 Ų107.277%0.77359%0.589SS**  trans-53.5112.4178.2-26.933.9000110.1K72P70-K72 PolarHBondContact O-N 3.38Å
71I73.4Confident74Confident153 Ų153109 Ų10979%0.78559%0.588SS**  trans-78110.4175.2-57.2177.5000105.5R69 A73R69-I71 PolarHBondContact O-N 2.82Å; I71-A73 PolarHBondContact O-N 3.01Å
72K70.8Confident76Confident190 Ų190108.5 Ų108.583%0.82658%0.579SS**  trans-61.7127.7173.6-60.1-176.3-175.3177.10107.4P70 S74P70-K72 PolarHBondContact O-N 3.38Å; K72-S74 PolarHBondContact O-N 3.26Å
73A73Confident77.8Confident73 Ų73108.3 Ų108.360%0.60357%0.568SS**  trans-54.8125.9175.300000109.1I71 V75I71-A73 PolarHBondContact O-N 3.01Å; A73-V75 WeakPolarHBondContact CB-O 3.43Å; A73-V75 PolarHBondContact O-N 2.98Å; A73-V75 VanDerWaalsContact O-N 3.16Å
74S82.3Confident79.1Confident102 Ų102107 Ų10771%0.71355%0.552SS**SBendtrans-65.2-14.1177.9-68.20000112.8K72 K132K72-S74 PolarHBondContact O-N 3.26Å; S74-K132 WeakPolarHBondContact O-CA 3.36Å
75V92.1Very high80.2Confident81 Ų81103.3 Ų103.349%0.49154%0.544SS..SBendtrans-127127.3177.5179.50000108.1A73 G131A73-V75 WeakPolarHBondContact CB-O 3.43Å; A73-V75 PolarHBondContact O-N 2.98Å; A73-V75 VanDerWaalsContact O-N 3.16Å; V75-G131 CarbonylContact C-O 3.55Å; V75-G131 WeakPolarHBondContact CA-O 3.47Å
76I93.9Very high81.3Confident44 Ų44105.8 Ų105.823%0.22655%0.546CS..EExtended strand (participates in β ladder)trans-110.7147.217365.1168.2000109S130 G131 L133 V136I76-S130 CarbonylContact O-C 3.53Å; I76-S130 VanDerWaalsContact O-CA 3.31Å; I76-S130 WeakPolarHBondContact O-CA 3.35Å; I76-G131 PolarHBondContact N-O 3.25Å; I76-G131 PolarHBondContact O-N 2.79Å; I76-L133 HydrophobicContact CD1-CD1 3.66Å; I76-V136 HydrophobicContact CD1-CB 3.91Å; I76-V136 HydrophobicContact CD1-CG1 3.87Å; I76-V136 HydrophobicContact CD1-CG2 4.26Å; I76-V136 HydrophobicContact CG1-CB 3.98Å; I76-V136 HydrophobicContact CG1-CG1 4.17Å; I76-V136 HydrophobicContact CG1-CG2 3.75Å
77T95.9Very high82Confident81 Ų81100.6 Ų100.650%0.49752%0.517SS..EExtended strand (participates in β ladder)trans-120.6129.7173.8-53.10000108.6M128 V129 S130T77-M128 HydrophobicContact CG2-CG 3.59Å; T77-M128 HydrophobicContact CG2-SD 3.7Å; T77-V129 CarbonylContact C-O 3.59Å; T77-V129 WeakPolarHBondContact CA-O 3.34Å; T77-S130 PolarHBondContact OG1-OG 3.25Å
78Q94.8Very high82.3Confident56 Ų56101.8 Ų101.826%0.26252%0.522SS..EExtended strand (participates in β ladder)trans-124.3136.8177.2-66.7-174.1-6.600108.9F80 M128 V129 V136Q78-F80 HydrophobicContact CB-CE2 3.87Å; Q78-F80 HydrophobicContact CB-CZ 4Å; Q78-M128 CarbonylContact O-C 3.55Å; Q78-M128 WeakPolarHBondContact O-CA 3.3Å; Q78-V129 PolarHBondContact N-O 2.85Å; Q78-V129 PolarHBondContact O-N 3.44Å; Q78-V136 HydrophobicContact CB-CG1 4.43Å; Q78-V136 HydrophobicContact CG-CG1 4.1Å
79V95Very high82.3Confident73 Ų73104 Ų10444%0.44252%0.524SS..EExtended strand (participates in β ladder)trans-119126.5179-176.70000108.5S126 I127 M128V79-S126 VanDerWaalsContact CG1-OG 3.24Å; V79-S126 WeakPolarHBondContact CG1-OG 3.46Å; V79-I127 CarbonylContact C-O 3.41Å; V79-I127 WeakPolarHBondContact CA-O 3.31Å; V79-M128 HydrophobicContact CG2-CB 4.33Å; V79-M128 HydrophobicContact CG2-CG 4.17Å
80F92.6Very high81.8Confident72 Ų7299.5 Ų99.532%0.31651%0.511SS..EExtended strand (participates in β ladder)trans-111.9134.7177.5-57.1-82.7000109.5Q78 S126 I127 V129 R140Q78-F80 HydrophobicContact CB-CE2 3.87Å; Q78-F80 HydrophobicContact CB-CZ 4Å; F80-S126 CarbonylContact O-C 3.6Å; F80-S126 WeakPolarHBondContact O-CA 3.5Å; F80-I127 HydrophobicContact CB-CB 4.37Å; F80-I127 PolarHBondContact N-O 3.08Å; F80-I127 PolarHBondContact O-N 2.84Å; F80-V129 HydrophobicContact CD2-CG2 4.2Å; F80-V129 HydrophobicContact CE2-CG2 4.01Å; F80-R140 HydrophobicContact CE1-CG 4.21Å; F80-R140 HydrophobicContact CE2-CG 4.28Å; F80-R140 HydrophobicContact CZ-CG 3.65Å
81H92.3Very high81.5Confident143 Ų143100.7 Ų100.766%0.66251%0.511SS*.EExtended strand (participates in β ladder)trans-107125.3175.7-64.684.6000108.6L125H81-L125 CarbonylContact C-O 3.6Å; H81-L125 WeakPolarHBondContact CA-O 3.47Å
82V89.6Confident81.1Confident36 Ų3698.5 Ų98.522%0.21850%0.499CS..EExtended strand (participates in β ladder)trans-118.1104.2178.5-175.10000108.1E86 R87 L125 I127V82-E86 HydrophobicContact CG1-CB 4.34Å; V82-R87 HydrophobicContact CG1-CG 4.02Å; V82-R87 PolarHBondContact O-NH2 3.47Å; V82-L125 HydrophobicContact CB-CB 4.29Å; V82-L125 PolarHBondContact N-O 2.79Å; V82-L125 PolarHBondContact O-N 3.27Å; V82-I127 HydrophobicContact CG2-CD1 4.11Å
83P90.1Very high80.8Confident50 Ų5093.8 Ų93.833%0.32548%0.482SS..  trans-56.8157173.2-22.532.8000112E85 E86P83-E85 WeakPolarHBondContact CB-OE2 3.23Å; P83-E85 PolarHBondContact O-N 2.82Å; P83-E86 HydrophobicContact CB-CG 4.35Å; P83-E86 HydrophobicContact CG-CG 4.27Å; P83-E86 PolarHBondContact O-N 2.76Å
84L82.9Confident80.6Confident38 Ų3896.5 Ų96.520%0.19948%0.483CS..G310 helixtrans-58.9-38.3178.2177.167.1000111.5E86 R87 Q123L84-E86 VanDerWaalsContact C-N 3.26Å; L84-E86 PolarHBondContact O-N 3.22Å; L84-R87 WeakPolarHBondContact O-CB 3.44Å; L84-R87 PolarHBondContact O-N 3.43Å; L84-Q123 HydrophobicContact CB-CB 4.44Å; L84-Q123 HydrophobicContact CD1-CB 4.27Å; L84-Q123 HydrophobicContact CD2-CB 4.26Å
85E79.1Confident80.1Confident141 Ų14193.8 Ų93.866%0.65946%0.458SS*.G310 helixtrans-64.4-32.7-175.9-65.367.4-146.400112.2P83 R87P83-E85 WeakPolarHBondContact CB-OE2 3.23Å; P83-E85 PolarHBondContact O-N 2.82Å; E85-R87 VanDerWaalsContact C-N 3.28Å; E85-R87 PolarHBondContact O-N 3.34Å
86E80.1Confident79.2Confident135 Ų13591.2 Ų91.263%0.63145%0.448SS*.G310 helixtrans-81.7-8.3-178-63.2-175.8-169.600112.7V82 P83 L84 K88V82-E86 HydrophobicContact CG1-CB 4.34Å; P83-E86 HydrophobicContact CB-CG 4.35Å; P83-E86 HydrophobicContact CG-CG 4.27Å; P83-E86 PolarHBondContact O-N 2.76Å; L84-E86 VanDerWaalsContact C-N 3.26Å; L84-E86 PolarHBondContact O-N 3.22Å; E86-K88 PolarHBondContact O-N 2.66Å
87R74.1Confident78.6Confident24 Ų2494.4 Ų94.49%0.09146%0.462CS..  trans-76.3119.9-179.2-63.2-163.9-170.4116.630.5111.6V82 L84 E85 Y89 Q123 G124V82-R87 HydrophobicContact CG1-CG 4.02Å; V82-R87 PolarHBondContact O-NH2 3.47Å; L84-R87 WeakPolarHBondContact O-CB 3.44Å; L84-R87 PolarHBondContact O-N 3.43Å; E85-R87 VanDerWaalsContact C-N 3.28Å; E85-R87 PolarHBondContact O-N 3.34Å; R87-Y89 PolarHBondContact O-N 2.89Å; R87-Q123 PolarHBondContact NH1-O 2.83Å; R87-Q123 PolarHBondContact NH2-O 3.2Å; R87-G124 VanDerWaalsContact NH2-CA 3.26Å
88K68.1Low78.2Confident193 Ų19393.2 Ų93.284%0.83947%0.466SS*.SBendtrans-61.4-26.5167.7-62.9-77-176.9179.40112.5E86E86-K88 PolarHBondContact O-N 2.66Å
89Y66.1Low77.8Confident157 Ų15797.5 Ų97.562%0.61649%0.486SS*.  trans-113.378.5-178-56.9-79.3000110R87 D91R87-Y89 PolarHBondContact O-N 2.89Å; Y89-D91 VanDerWaalsContact C-N 3.33Å; Y89-D91 PolarHBondContact O-N 3.32Å
90K63.6Low77.3Confident128 Ų12895.6 Ų95.656%0.55747%0.472SS*.THydrogen-bonded Turntrans-67.8-29.2-176-78.5-167.5167.2-157.40114.1M92K90-M92 VanDerWaalsContact C-N 3.35Å; K90-M92 PolarHBondContact O-N 3.35Å
91D62.1Low77Confident144 Ų14494.1 Ų94.177%0.7747%0.473SS*.THydrogen-bonded Turntrans-88.71.1-172.2-53.7-60.9000114.2Y89 N93Y89-D91 VanDerWaalsContact C-N 3.33Å; Y89-D91 PolarHBondContact O-N 3.32Å; D91-N93 PolarHBondContact O-N 2.91Å
92M64.2Low77Confident107 Ų10794.4 Ų94.453%0.52747%0.473SS..  trans-101.170.8-178.3-68.2-71.3114.400110.8K90 Q94K90-M92 VanDerWaalsContact C-N 3.35Å; K90-M92 PolarHBondContact O-N 3.35Å; M92-Q94 PolarHBondContact O-N 2.84Å
93N64.4Low77Confident91 Ų9195.6 Ų95.649%0.48748%0.477SS..  trans-64.9-2.3175.3-76.390.2000114.4D91 L119D91-N93 PolarHBondContact O-N 2.91Å; N93-L119 WeakPolarHBondContact O-CD1 3.47Å
94Q69.4Low77.1Confident130 Ų13093.9 Ų93.961%0.60747%0.466SS*.  trans-112.251.4175.7-73.8-179.1-14.500111.1M92 G96 E97M92-Q94 PolarHBondContact O-N 2.84Å; Q94-G96 PolarHBondContact O-N 3.4Å; Q94-G96 VanDerWaalsContact O-N 3.15Å; Q94-E97 HydrophobicContact CB-CB 4.08Å; Q94-E97 HydrophobicContact CB-CG 4.25Å; Q94-E97 VanDerWaalsContact CG-OE2 3.29Å; Q94-E97 WeakPolarHBondContact CG-OE2 3.45Å; Q94-E97 PolarHBondContact NE2-OE2 2.9Å; Q94-E97 PolarHBondContact O-N 3.12Å; Q94-E97 PolarHBondContact OE1-OE2 2.91Å
95F72Confident77.6Confident45 Ų4596.9 Ų96.920%0.19748%0.482CS..THydrogen-bonded Turntrans-62.7119.3175.5-146.6-89.2000109.2Q100 L117 L119 L125F95-Q100 HydrophobicContact CD2-CG 4.45Å; F95-Q100 HydrophobicContact CE2-CG 4.49Å; F95-L117 HydrophobicContact CD1-CD1 3.91Å; F95-L117 HydrophobicContact CD1-CD2 4.09Å; F95-L117 HydrophobicContact CE1-CD1 4.23Å; F95-L117 HydrophobicContact CE1-CD2 4.12Å; F95-L119 HydrophobicContact CB-CD2 4.43Å; F95-L125 HydrophobicContact CB-CD1 4.06Å; F95-L125 HydrophobicContact CD1-CD1 3.76Å; F95-L125 HydrophobicContact CD1-CD2 3.34Å; F95-L125 HydrophobicContact CD1-CG 4.21Å; F95-L125 HydrophobicContact CD2-CD2 4.37Å; F95-L125 HydrophobicContact CE1-CD2 3.47Å; F95-L125 VanDerWaalsContact CE1-CD2 3.47Å; F95-L125 HydrophobicContact CE2-CD2 4.48Å; F95-L125 HydrophobicContact CG-CD1 4.16Å; F95-L125 HydrophobicContact CG-CD2 3.82Å; F95-L125 HydrophobicContact CZ-CD2 4.06Å
96G72.8Confident78.3Confident28 Ų2894.3 Ų94.329%0.28947%0.47SS..THydrogen-bonded Turntrans101.4-0.2-172.700000115.3Q94 A101Q94-G96 PolarHBondContact O-N 3.4Å; Q94-G96 VanDerWaalsContact O-N 3.15Å; G96-A101 WeakPolarHBondContact O-CB 3.45Å
97E82.4Confident79Confident111 Ų11190.5 Ų90.552%0.51945%0.453SS..SBendtrans-113.9168.3170.9-51.5-173155.600111.6Q94 E99 Q100 A101Q94-E97 HydrophobicContact CB-CB 4.08Å; Q94-E97 HydrophobicContact CB-CG 4.25Å; Q94-E97 VanDerWaalsContact CG-OE2 3.29Å; Q94-E97 WeakPolarHBondContact CG-OE2 3.45Å; Q94-E97 PolarHBondContact NE2-OE2 2.9Å; Q94-E97 PolarHBondContact O-N 3.12Å; Q94-E97 PolarHBondContact OE1-OE2 2.91Å; E97-E99 PolarHBondContact O-N 3.16Å; E97-Q100 WeakPolarHBondContact O-CB 3.38Å; E97-Q100 PolarHBondContact O-N 2.79Å; E97-Q100 VanDerWaalsContact O-N 3.14Å; E97-A101 PolarHBondContact O-N 2.89Å
98G86.1Confident80Confident56 Ų5691.7 Ų91.758%0.57746%0.46SS*.Hα-helixtrans57.9-121.617500000113.7
99E86.1Confident81.3Confident146 Ų14689.7 Ų89.768%0.68245%0.454SS*.Hα-helixtrans-71.1-34.3-179.4-157.3-166.1-140.800112.5E97 A101 K102 I103E97-E99 PolarHBondContact O-N 3.16Å; E99-A101 VanDerWaalsContact C-N 3.29Å; E99-A101 PolarHBondContact O-N 2.66Å; E99-K102 WeakPolarHBondContact O-CB 3.21Å; E99-K102 PolarHBondContact O-N 2.85Å; E99-I103 WeakPolarHBondContact O-CG1 3.24Å; E99-I103 PolarHBondContact O-N 2.9Å; E99-I103 VanDerWaalsContact O-N 3.08Å
100Q84.2Confident82.8Confident32 Ų3291.6 Ų91.615%0.1546%0.46CS..Hα-helixtrans-63.3-37.1176.9-71.1-72.9-17.300111.4F95 E97 K102 I103 C104F95-Q100 HydrophobicContact CD2-CG 4.45Å; F95-Q100 HydrophobicContact CE2-CG 4.49Å; E97-Q100 WeakPolarHBondContact O-CB 3.38Å; E97-Q100 PolarHBondContact O-N 2.79Å; E97-Q100 VanDerWaalsContact O-N 3.14Å; Q100-K102 VanDerWaalsContact C-N 3.27Å; Q100-K102 PolarHBondContact O-N 2.85Å; Q100-I103 PolarHBondContact O-N 2.96Å; Q100-C104 PolarHBondContact O-N 2.84Å; Q100-C104 PolarHBondContact O-SG 2.87Å
101A87.8Confident84.3Confident41 Ų4186.7 Ų86.734%0.33944%0.441SS..Hα-helixtrans-59.4-39.4173.600000111.8G96 E97 E99 C104 L105G96-A101 WeakPolarHBondContact O-CB 3.45Å; E97-A101 PolarHBondContact O-N 2.89Å; E99-A101 VanDerWaalsContact C-N 3.29Å; E99-A101 PolarHBondContact O-N 2.66Å; A101-C104 PolarHBondContact O-N 2.7Å; A101-L105 WeakPolarHBondContact O-CB 3.38Å; A101-L105 PolarHBondContact O-N 3.49Å
102K91.8Very high85.9Confident149 Ų14982.7 Ų82.765%0.64843%0.434SS*.Hα-helixtrans-66.5-43.8177.4-61.1178.5-177.6177.50111.4E99 Q100 C104 L105 E106E99-K102 WeakPolarHBondContact O-CB 3.21Å; E99-K102 PolarHBondContact O-N 2.85Å; Q100-K102 VanDerWaalsContact C-N 3.27Å; Q100-K102 PolarHBondContact O-N 2.85Å; K102-C104 VanDerWaalsContact C-N 3.33Å; K102-C104 PolarHBondContact O-N 3.31Å; K102-L105 PolarHBondContact O-N 3.24Å; K102-E106 WeakPolarHBondContact O-CB 3.44Å; K102-E106 PolarHBondContact O-N 2.97Å
103I90.1Very high87.4Confident62 Ų6277.8 Ų77.832%0.31841%0.411SS..Hα-helixtrans-60.8-44.7176.5-63.7168.3000110.1E99 Q100 L105 E106 I107E99-I103 WeakPolarHBondContact O-CG1 3.24Å; E99-I103 PolarHBondContact O-N 2.9Å; E99-I103 VanDerWaalsContact O-N 3.08Å; Q100-I103 PolarHBondContact O-N 2.96Å; I103-L105 VanDerWaalsContact C-N 3.35Å; I103-L105 PolarHBondContact O-N 3.37Å; I103-E106 PolarHBondContact O-N 3.32Å; I103-I107 HydrophobicContact CG2-CD1 3.8Å; I103-I107 HydrophobicContact CG2-CG1 4.39Å; I103-I107 VanDerWaalsContact O-CG1 3.29Å; I103-I107 WeakPolarHBondContact O-CG1 3.5Å; I103-I107 PolarHBondContact O-N 3.48Å
104C91.1Very high88.9Confident13 Ų1378 Ų789%0.08841%0.408CS..Hα-helixtrans-59-48175.9-67.90000111.3Q100 A101 K102 E106 I107 M108 L117Q100-C104 PolarHBondContact O-N 2.84Å; Q100-C104 PolarHBondContact O-SG 2.87Å; A101-C104 PolarHBondContact O-N 2.7Å; K102-C104 VanDerWaalsContact C-N 3.33Å; K102-C104 PolarHBondContact O-N 3.31Å; C104-E106 VanDerWaalsContact C-N 3.27Å; C104-E106 PolarHBondContact O-N 3.3Å; C104-I107 PolarHBondContact O-N 3.19Å; C104-M108 HydrophobicContact CB-CE 4.13Å; C104-M108 WeakPolarHBondContact O-CB 3.32Å; C104-M108 VanDerWaalsContact O-CG 3.25Å; C104-M108 WeakPolarHBondContact O-CG 3.33Å; C104-M108 PolarHBondContact O-N 2.86Å; C104-L117 WeakPolarHBondContact SG-CD1 3.48Å
105L93.5Very high90.2Very high101 Ų10172.6 Ų72.653%0.52938%0.383SS..Hα-helixtrans-63-36.5179.7-162.971.3000112.2A101 K102 I103 Q109A101-L105 WeakPolarHBondContact O-CB 3.38Å; A101-L105 PolarHBondContact O-N 3.49Å; K102-L105 PolarHBondContact O-N 3.24Å; I103-L105 VanDerWaalsContact C-N 3.35Å; I103-L105 PolarHBondContact O-N 3.37Å; L105-Q109 WeakPolarHBondContact O-CB 3.24Å; L105-Q109 PolarHBondContact O-N 2.63Å; L105-Q109 PolarHBondContact O-NE2 3.3Å
106E94.8Very high91.2Very high88 Ų8875.2 Ų75.241%0.41140%0.396SS..Hα-helixtrans-67-45.3174.9-179.6173.6-166.900111.7K102 I103 C104 M108 Q109 R110K102-E106 WeakPolarHBondContact O-CB 3.44Å; K102-E106 PolarHBondContact O-N 2.97Å; I103-E106 PolarHBondContact O-N 3.32Å; C104-E106 VanDerWaalsContact C-N 3.27Å; C104-E106 PolarHBondContact O-N 3.3Å; E106-M108 VanDerWaalsContact C-N 3.33Å; E106-M108 PolarHBondContact O-N 3.38Å; E106-Q109 PolarHBondContact O-N 3.11Å; E106-R110 HydrophobicContact CG-CG 4.28Å; E106-R110 WeakPolarHBondContact O-CB 3.29Å; E106-R110 VanDerWaalsContact O-CG 3.31Å; E106-R110 WeakPolarHBondContact O-CG 3.31Å; E106-R110 PolarHBondContact O-N 3.29Å; E106-R110 IonicContact OE1-CZ 3.05Å; E106-R110 IonicContact OE1-NE 2.91Å; E106-R110 PolarHBondContact OE1-NE 2.92Å; E106-R110 IonicContact OE1-NH2 2.63Å; E106-R110 PolarHBondContact OE1-NH2 2.91Å
107I94.4Very high92Very high54 Ų5476 Ų7628%0.27739%0.394SS..Hα-helixtrans-60.9-45.7175.3-66.9165000109.8I103 C104 Q109 R110 T111 L115 A139I103-I107 HydrophobicContact CG2-CD1 3.8Å; I103-I107 HydrophobicContact CG2-CG1 4.39Å; I103-I107 VanDerWaalsContact O-CG1 3.29Å; I103-I107 WeakPolarHBondContact O-CG1 3.5Å; I103-I107 PolarHBondContact O-N 3.48Å; C104-I107 PolarHBondContact O-N 3.19Å; I107-Q109 VanDerWaalsContact C-N 3.34Å; I107-Q109 PolarHBondContact O-N 3.42Å; I107-R110 PolarHBondContact O-N 2.87Å; I107-T111 HydrophobicContact CG2-CG2 4.12Å; I107-T111 WeakPolarHBondContact O-CB 3.48Å; I107-T111 WeakPolarHBondContact O-CG2 3.36Å; I107-T111 PolarHBondContact O-N 3.26Å; I107-T111 PolarHBondContact O-OG1 3.32Å; I107-L115 HydrophobicContact CB-CD2 4.37Å; I107-L115 HydrophobicContact CG2-CD1 4.19Å; I107-L115 HydrophobicContact CG2-CD2 3.86Å; I107-A139 HydrophobicContact CG2-CB 4.23Å
108M94.9Very high92.4Very high49 Ų4974 Ų7424%0.24139%0.392CS..Hα-helixtrans-58.6-45.3177.2-69.7-173.2-139.800111.4C104 E106 G112 A113 L115C104-M108 HydrophobicContact CB-CE 4.13Å; C104-M108 WeakPolarHBondContact O-CB 3.32Å; C104-M108 VanDerWaalsContact O-CG 3.25Å; C104-M108 WeakPolarHBondContact O-CG 3.33Å; C104-M108 PolarHBondContact O-N 2.86Å; E106-M108 VanDerWaalsContact C-N 3.33Å; E106-M108 PolarHBondContact O-N 3.38Å; M108-G112 VanDerWaalsContact O-CA 3.24Å; M108-G112 WeakPolarHBondContact O-CA 3.02Å; M108-G112 PolarHBondContact O-N 3.15Å; M108-A113 VanDerWaalsContact CA-O 3.31Å; M108-A113 WeakPolarHBondContact CA-O 3.41Å; M108-A113 WeakPolarHBondContact CB-O 3.05Å; M108-A113 VanDerWaalsContact CG-O 3.3Å; M108-A113 WeakPolarHBondContact CG-O 3.47Å; M108-L115 HydrophobicContact CE-CB 3.72Å; M108-L115 WeakPolarHBondContact CE-O 3.35Å; M108-L115 HydrophobicContact CG-CB 3.96Å; M108-L115 HydrophobicContact CG-CD1 4.02Å; M108-L115 HydrophobicContact SD-CB 4.39Å
109Q96.3Very high92.5Very high152 Ų15275 Ų7571%0.7138%0.384SS*.Hα-helixtrans-66.4-44176.8-88.1171.281.900113.1L105 E106 I107L105-Q109 WeakPolarHBondContact O-CB 3.24Å; L105-Q109 PolarHBondContact O-N 2.63Å; L105-Q109 PolarHBondContact O-NE2 3.3Å; E106-Q109 PolarHBondContact O-N 3.11Å; I107-Q109 VanDerWaalsContact C-N 3.34Å; I107-Q109 PolarHBondContact O-N 3.42Å
110R96.4Very high92.5Very high196 Ų19670.5 Ų70.574%0.7437%0.371SS*.Hα-helixtrans-68.8-36.5-178.3-74.7-179.8179.1-1423.1112.6E106 I107E106-R110 HydrophobicContact CG-CG 4.28Å; E106-R110 WeakPolarHBondContact O-CB 3.29Å; E106-R110 VanDerWaalsContact O-CG 3.31Å; E106-R110 WeakPolarHBondContact O-CG 3.31Å; E106-R110 PolarHBondContact O-N 3.29Å; E106-R110 IonicContact OE1-CZ 3.05Å; E106-R110 IonicContact OE1-NE 2.91Å; E106-R110 PolarHBondContact OE1-NE 2.92Å; E106-R110 IonicContact OE1-NH2 2.63Å; E106-R110 PolarHBondContact OE1-NH2 2.91Å; I107-R110 PolarHBondContact O-N 2.87Å
111T96.1Very high92.6Very high25 Ų2579.6 Ų79.615%0.15341%0.41CS..Hα-helixtrans-98.5-25.8-173.3650000113.1I107 A113 A135 K138 A139I107-T111 HydrophobicContact CG2-CG2 4.12Å; I107-T111 WeakPolarHBondContact O-CB 3.48Å; I107-T111 WeakPolarHBondContact O-CG2 3.36Å; I107-T111 PolarHBondContact O-N 3.26Å; I107-T111 PolarHBondContact O-OG1 3.32Å; T111-A113 PolarHBondContact OG1-N 3.26Å; T111-A135 VanDerWaalsContact O-CB 3.23Å; T111-A135 WeakPolarHBondContact O-CB 3.13Å; T111-K138 HydrophobicContact CG2-CB 4.02Å; T111-A139 HydrophobicContact CG2-CB 4.05Å
112G95.3Very high92.6Very high60 Ų6083.4 Ų83.462%0.61943%0.425SS*.  trans72.115.2-170.100000113.5M108M108-G112 VanDerWaalsContact O-CA 3.24Å; M108-G112 WeakPolarHBondContact O-CA 3.02Å; M108-G112 PolarHBondContact O-N 3.15Å
113A96.4Very high92.3Very high5 Ų580.6 Ų80.64%0.04141%0.414CS..  trans-91153.2171.900000110.7M108 T111 L115 V129 A135 A139M108-A113 VanDerWaalsContact CA-O 3.31Å; M108-A113 WeakPolarHBondContact CA-O 3.41Å; M108-A113 WeakPolarHBondContact CB-O 3.05Å; M108-A113 VanDerWaalsContact CG-O 3.3Å; M108-A113 WeakPolarHBondContact CG-O 3.47Å; T111-A113 PolarHBondContact OG1-N 3.26Å; A113-L115 HydrophobicContact CB-CD1 3.96Å; A113-V129 HydrophobicContact CB-CG1 4.07Å; A113-A135 HydrophobicContact CB-CB 4.22Å; A113-A139 HydrophobicContact CB-CB 3.94Å
114H95.8Very high92.2Very high95 Ų9578 Ų7844%0.4440%0.403SS..EExtended strand (participates in β ladder)trans-92125.5170.4-169.9-91.6000109.1E116 V129 S130H114-E116 IonicContact CE1-OE1 3.12Å; H114-E116 PolarHBondContact CE1-OE1 2.97Å; H114-E116 IonicContact ND1-OE1 3.63Å; H114-V129 CarbonylContact O-C 3.55Å; H114-V129 WeakPolarHBondContact O-CA 3.37Å; H114-S130 PolarHBondContact N-O 3.45Å; H114-S130 PolarHBondContact O-N 3.23Å
115L95Very high92.1Very high16 Ų1677.6 Ų77.68%0.08440%0.4CS..EExtended strand (participates in β ladder)trans-114.5138.2178.9-85.972.2000109.9I107 M108 A113 M128 V129 A139I107-L115 HydrophobicContact CB-CD2 4.37Å; I107-L115 HydrophobicContact CG2-CD1 4.19Å; I107-L115 HydrophobicContact CG2-CD2 3.86Å; M108-L115 HydrophobicContact CE-CB 3.72Å; M108-L115 WeakPolarHBondContact CE-O 3.35Å; M108-L115 HydrophobicContact CG-CB 3.96Å; M108-L115 HydrophobicContact CG-CD1 4.02Å; M108-L115 HydrophobicContact SD-CB 4.39Å; A113-L115 HydrophobicContact CB-CD1 3.96Å; L115-M128 CarbonylContact C-O 3.59Å; L115-M128 VanDerWaalsContact CA-O 3.3Å; L115-M128 WeakPolarHBondContact CA-O 3.25Å; L115-V129 HydrophobicContact CD1-CG1 4.08Å; L115-V129 HydrophobicContact CG-CG2 4.29Å; L115-A139 HydrophobicContact CD1-CB 4.23Å
116E93.1Very high92.1Very high100 Ų10073.9 Ų73.947%0.46738%0.382SS..EExtended strand (participates in β ladder)trans-132.2145.6168.7-63.8-178.2-16000109.8H114 I127 M128H114-E116 IonicContact CE1-OE1 3.12Å; H114-E116 PolarHBondContact CE1-OE1 2.97Å; H114-E116 IonicContact ND1-OE1 3.63Å; E116-I127 WeakPolarHBondContact O-CA 3.31Å; E116-M128 HydrophobicContact CB-CB 4.28Å; E116-M128 HydrophobicContact CB-CE 3.88Å; E116-M128 HydrophobicContact CG-CE 3.77Å; E116-M128 PolarHBondContact N-O 3.02Å; E116-M128 PolarHBondContact O-N 3.05Å; E116-M128 WeakPolarHBondContact OE1-CE 3.49Å; E116-M128 WeakPolarHBondContact OE2-CE 3.47Å
117L91.3Very high92Very high45 Ų4571.5 Ų71.524%0.23637%0.372CS..EExtended strand (participates in β ladder)trans-125.9135.4-178.1-63.3167.2000108.6F95 C104 L125 S126 I127F95-L117 HydrophobicContact CD1-CD1 3.91Å; F95-L117 HydrophobicContact CD1-CD2 4.09Å; F95-L117 HydrophobicContact CE1-CD1 4.23Å; F95-L117 HydrophobicContact CE1-CD2 4.12Å; C104-L117 WeakPolarHBondContact SG-CD1 3.48Å; L117-L125 HydrophobicContact CB-CD1 4.34Å; L117-L125 HydrophobicContact CD2-CD1 4.21Å; L117-S126 WeakPolarHBondContact CA-O 3.35Å; L117-I127 HydrophobicContact CD2-CB 4.1Å; L117-I127 HydrophobicContact CD2-CD1 4.28Å; L117-I127 HydrophobicContact CD2-CG1 3.68Å; L117-I127 HydrophobicContact CD2-CG2 3.84Å
118S89.9Confident92Very high68 Ų6871.5 Ų71.548%0.47637%0.371SS..EExtended strand (participates in β ladder)trans-140.5141.1171.259.50000111.2L125 S126S118-L125 WeakPolarHBondContact O-CA 3.3Å; S118-S126 PolarHBondContact N-O 3.14Å; S118-S126 PolarHBondContact O-N 3.38Å
119L88.7Confident92.1Very high78 Ų7869.3 Ų69.341%0.40836%0.361SS..EExtended strand (participates in β ladder)trans-91.8130.7172.5-68.3169.6000109.4N93 F95 G124 L125N93-L119 WeakPolarHBondContact O-CD1 3.47Å; F95-L119 HydrophobicContact CB-CD2 4.43Å; L119-G124 CarbonylContact C-O 3.59Å; L119-G124 WeakPolarHBondContact CA-O 3.04Å; L119-L125 HydrophobicContact CD2-CB 4.34Å; L119-L125 HydrophobicContact CD2-CD1 4.02Å
120A86.5Confident92.1Very high51 Ų5163.3 Ų63.342%0.42134%0.336SS..  trans-85.5165.4172.900000110.8D122 Q123 G124A120-D122 WeakPolarHBondContact CB-OD1 3.41Å; A120-D122 PolarHBondContact O-N 3.48Å; A120-Q123 WeakPolarHBondContact O-CA 3.3Å; A120-Q123 PolarHBondContact O-N 3.48Å; A120-G124 PolarHBondContact N-O 3.4Å
121K85.8Confident92Very high223 Ų22354.5 Ų54.597%0.9731%0.306SS*.THydrogen-bonded Turntrans-65.2-28.3-176-65.1-178.8179.9178.60113.1Q123K121-Q123 PolarHBondContact O-N 3.45Å
122D87.2Confident92Very high122 Ų12260.3 Ų60.365%0.65233%0.329SS*.THydrogen-bonded Turntrans-78.912.8172.162.7-10.6000112.5A120 G124A120-D122 WeakPolarHBondContact CB-OD1 3.41Å; A120-D122 PolarHBondContact O-N 3.48Å; D122-G124 PolarHBondContact O-N 3.06Å; D122-G124 VanDerWaalsContact O-N 3.16Å; D122-G124 PolarHBondContact OD1-N 3.38Å
123Q86.3Confident91.8Very high90 Ų9062.5 Ų62.542%0.42133%0.326SS..SBendtrans59.914.5-171.4-52.5-174.8-13.500113.3L84 R87 A120 K121L84-Q123 HydrophobicContact CB-CB 4.44Å; L84-Q123 HydrophobicContact CD1-CB 4.27Å; L84-Q123 HydrophobicContact CD2-CB 4.26Å; R87-Q123 PolarHBondContact NH1-O 2.83Å; R87-Q123 PolarHBondContact NH2-O 3.2Å; A120-Q123 WeakPolarHBondContact O-CA 3.3Å; A120-Q123 PolarHBondContact O-N 3.48Å; K121-Q123 PolarHBondContact O-N 3.45Å
124G88.3Confident91.7Very high8 Ų867.9 Ų67.98%0.08235%0.354CS..  trans-64.1158168.600000111.9R87 L119 A120 D122R87-G124 VanDerWaalsContact NH2-CA 3.26Å; L119-G124 CarbonylContact C-O 3.59Å; L119-G124 WeakPolarHBondContact CA-O 3.04Å; A120-G124 PolarHBondContact N-O 3.4Å; D122-G124 PolarHBondContact O-N 3.06Å; D122-G124 VanDerWaalsContact O-N 3.16Å; D122-G124 PolarHBondContact OD1-N 3.38Å
125L89.4Confident91.6Very high4 Ų463.9 Ų63.92%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-122.6121.9-177.1172.273.1000106.7H81 V82 F95 L117 S118 L119 I127H81-L125 CarbonylContact C-O 3.6Å; H81-L125 WeakPolarHBondContact CA-O 3.47Å; V82-L125 HydrophobicContact CB-CB 4.29Å; V82-L125 PolarHBondContact N-O 2.79Å; V82-L125 PolarHBondContact O-N 3.27Å; F95-L125 HydrophobicContact CB-CD1 4.06Å; F95-L125 HydrophobicContact CD1-CD1 3.76Å; F95-L125 HydrophobicContact CD1-CD2 3.34Å; F95-L125 HydrophobicContact CD1-CG 4.21Å; F95-L125 HydrophobicContact CD2-CD2 4.37Å; F95-L125 HydrophobicContact CE1-CD2 3.47Å; F95-L125 VanDerWaalsContact CE1-CD2 3.47Å; F95-L125 HydrophobicContact CE2-CD2 4.48Å; F95-L125 HydrophobicContact CG-CD1 4.16Å; F95-L125 HydrophobicContact CG-CD2 3.82Å; F95-L125 HydrophobicContact CZ-CD2 4.06Å; L117-L125 HydrophobicContact CB-CD1 4.34Å; L117-L125 HydrophobicContact CD2-CD1 4.21Å; S118-L125 WeakPolarHBondContact O-CA 3.3Å; L119-L125 HydrophobicContact CD2-CB 4.34Å; L119-L125 HydrophobicContact CD2-CD1 4.02Å; L125-I127 HydrophobicContact CD2-CD1 3.97Å; L125-I127 HydrophobicContact CD2-CG1 3.95Å; L125-I127 HydrophobicContact CG-CG1 3.96Å
126S91.7Very high91.6Very high23 Ų2363.1 Ų63.116%0.16133%0.333CS..EExtended strand (participates in β ladder)trans-101.9124.2172.8-1720000108.9V79 F80 L117 S118V79-S126 VanDerWaalsContact CG1-OG 3.24Å; V79-S126 WeakPolarHBondContact CG1-OG 3.46Å; F80-S126 CarbonylContact O-C 3.6Å; F80-S126 WeakPolarHBondContact O-CA 3.5Å; L117-S126 WeakPolarHBondContact CA-O 3.35Å; S118-S126 PolarHBondContact N-O 3.14Å; S118-S126 PolarHBondContact O-N 3.38Å
127I93Very high91.6Very high38 Ų3862 Ų6220%0.19533%0.329CS..EExtended strand (participates in β ladder)trans-112.5110.4178.6-47.6-178.5000107.2V79 F80 V82 E116 L117 L125 V129V79-I127 CarbonylContact C-O 3.41Å; V79-I127 WeakPolarHBondContact CA-O 3.31Å; F80-I127 HydrophobicContact CB-CB 4.37Å; F80-I127 PolarHBondContact N-O 3.08Å; F80-I127 PolarHBondContact O-N 2.84Å; V82-I127 HydrophobicContact CG2-CD1 4.11Å; E116-I127 WeakPolarHBondContact O-CA 3.31Å; L117-I127 HydrophobicContact CD2-CB 4.1Å; L117-I127 HydrophobicContact CD2-CD1 4.28Å; L117-I127 HydrophobicContact CD2-CG1 3.68Å; L117-I127 HydrophobicContact CD2-CG2 3.84Å; L125-I127 HydrophobicContact CD2-CD1 3.97Å; L125-I127 HydrophobicContact CD2-CG1 3.95Å; L125-I127 HydrophobicContact CG-CG1 3.96Å; I127-V129 HydrophobicContact CG2-CG2 4.17Å
128M95.1Very high91.8Very high53 Ų5366.2 Ų66.226%0.26135%0.345SS..EExtended strand (participates in β ladder)trans-95128.6172.8-178.3172.763.300109.6T77 Q78 V79 L115 E116T77-M128 HydrophobicContact CG2-CG 3.59Å; T77-M128 HydrophobicContact CG2-SD 3.7Å; Q78-M128 CarbonylContact O-C 3.55Å; Q78-M128 WeakPolarHBondContact O-CA 3.3Å; V79-M128 HydrophobicContact CG2-CB 4.33Å; V79-M128 HydrophobicContact CG2-CG 4.17Å; L115-M128 CarbonylContact C-O 3.59Å; L115-M128 VanDerWaalsContact CA-O 3.3Å; L115-M128 WeakPolarHBondContact CA-O 3.25Å; E116-M128 HydrophobicContact CB-CB 4.28Å; E116-M128 HydrophobicContact CB-CE 3.88Å; E116-M128 HydrophobicContact CG-CE 3.77Å; E116-M128 PolarHBondContact N-O 3.02Å; E116-M128 PolarHBondContact O-N 3.05Å; E116-M128 WeakPolarHBondContact OE1-CE 3.49Å; E116-M128 WeakPolarHBondContact OE2-CE 3.47Å
129V96.4Very high92Very high4 Ų463.8 Ų63.82%0.02433%0.329CS..EExtended strand (participates in β ladder)trans-122.2117.6176.6-170.90000108.3T77 Q78 F80 A113 H114 L115 I127 V136 A139T77-V129 CarbonylContact C-O 3.59Å; T77-V129 WeakPolarHBondContact CA-O 3.34Å; Q78-V129 PolarHBondContact N-O 2.85Å; Q78-V129 PolarHBondContact O-N 3.44Å; F80-V129 HydrophobicContact CD2-CG2 4.2Å; F80-V129 HydrophobicContact CE2-CG2 4.01Å; A113-V129 HydrophobicContact CB-CG1 4.07Å; H114-V129 CarbonylContact O-C 3.55Å; H114-V129 WeakPolarHBondContact O-CA 3.37Å; L115-V129 HydrophobicContact CD1-CG1 4.08Å; L115-V129 HydrophobicContact CG-CG2 4.29Å; I127-V129 HydrophobicContact CG2-CG2 4.17Å; V129-V136 HydrophobicContact CG1-CB 4.39Å; V129-V136 HydrophobicContact CG1-CG1 4.08Å; V129-V136 HydrophobicContact CG1-CG2 4.18Å; V129-A139 HydrophobicContact CG1-CB 3.83Å
130S95.7Very high92.1Very high26 Ų2666.5 Ų66.518%0.18233%0.334CS..EExtended strand (participates in β ladder)trans-125.1135.1-177.9-168.10000111.3I76 T77 H114I76-S130 CarbonylContact O-C 3.53Å; I76-S130 VanDerWaalsContact O-CA 3.31Å; I76-S130 WeakPolarHBondContact O-CA 3.35Å; T77-S130 PolarHBondContact OG1-OG 3.25Å; H114-S130 PolarHBondContact N-O 3.45Å; H114-S130 PolarHBondContact O-N 3.23Å
131G95.6Very high91.7Very high10 Ų1075.6 Ų75.610%0.10336%0.364CS..EExtended strand (participates in β ladder)trans163.7-171.5179.200000113.6V75 I76V75-G131 CarbonylContact C-O 3.55Å; V75-G131 WeakPolarHBondContact CA-O 3.47Å; I76-G131 PolarHBondContact N-O 3.25Å; I76-G131 PolarHBondContact O-N 2.79Å
132K94.8Very high92Very high147 Ų14768.2 Ų68.264%0.63933%0.334SS*.  trans-60.8154.4172-65.3-179.2-178.8175.90110.6S74 D134 A135 V136S74-K132 WeakPolarHBondContact O-CA 3.36Å; K132-D134 VanDerWaalsContact C-N 3.29Å; K132-D134 PolarHBondContact O-N 3.34Å; K132-A135 HydrophobicContact CB-CB 4.39Å; K132-A135 WeakPolarHBondContact O-CB 3.42Å; K132-A135 PolarHBondContact O-N 3.32Å; K132-V136 WeakPolarHBondContact O-CG2 3.5Å; K132-V136 PolarHBondContact O-N 3.48Å
133L92Very high92.3Very high107 Ų10765.4 Ų65.456%0.5632%0.317SS*.Hα-helixtrans-49.6-48.7-179.8-17963.1000112.4I76 A135 V136 M137I76-L133 HydrophobicContact CD1-CD1 3.66Å; L133-A135 PolarHBondContact O-N 3.05Å; L133-V136 PolarHBondContact O-N 2.91Å; L133-M137 HydrophobicContact CD1-CG 4.16Å; L133-M137 WeakPolarHBondContact O-CB 3.33Å; L133-M137 WeakPolarHBondContact O-CG 3.35Å; L133-M137 PolarHBondContact O-N 3.34Å
134D93.5Very high92.6Very high118 Ų11864 Ų6463%0.63131%0.311SS*.Hα-helixtrans-65.9-37.3179.7-61.9-49.7000113.2K132 K138K132-D134 VanDerWaalsContact C-N 3.29Å; K132-D134 PolarHBondContact O-N 3.34Å; D134-K138 WeakPolarHBondContact O-CB 3.29Å; D134-K138 WeakPolarHBondContact O-CG 3.41Å; D134-K138 PolarHBondContact O-N 3.24Å
135A95.4Very high92.8Very high10 Ų1067.3 Ų67.38%0.08332%0.324CS..Hα-helixtrans-67.4-46.5179.600000110.8T111 A113 K132 L133 K138 A139T111-A135 VanDerWaalsContact O-CB 3.23Å; T111-A135 WeakPolarHBondContact O-CB 3.13Å; A113-A135 HydrophobicContact CB-CB 4.22Å; K132-A135 HydrophobicContact CB-CB 4.39Å; K132-A135 WeakPolarHBondContact O-CB 3.42Å; K132-A135 PolarHBondContact O-N 3.32Å; L133-A135 PolarHBondContact O-N 3.05Å; A135-K138 PolarHBondContact O-N 3.42Å; A135-A139 WeakPolarHBondContact O-CB 3.49Å; A135-A139 PolarHBondContact O-N 3.02Å
136V94.6Very high93.1Very high0 Ų071.3 Ų71.30%034%0.343CS..Hα-helixtrans-64.8-42.4177.8174.90000111.1I76 Q78 V129 K132 L133 K138 A139 R140I76-V136 HydrophobicContact CD1-CB 3.91Å; I76-V136 HydrophobicContact CD1-CG1 3.87Å; I76-V136 HydrophobicContact CD1-CG2 4.26Å; I76-V136 HydrophobicContact CG1-CB 3.98Å; I76-V136 HydrophobicContact CG1-CG1 4.17Å; I76-V136 HydrophobicContact CG1-CG2 3.75Å; Q78-V136 HydrophobicContact CB-CG1 4.43Å; Q78-V136 HydrophobicContact CG-CG1 4.1Å; V129-V136 HydrophobicContact CG1-CB 4.39Å; V129-V136 HydrophobicContact CG1-CG1 4.08Å; V129-V136 HydrophobicContact CG1-CG2 4.18Å; K132-V136 WeakPolarHBondContact O-CG2 3.5Å; K132-V136 PolarHBondContact O-N 3.48Å; L133-V136 PolarHBondContact O-N 2.91Å; V136-K138 VanDerWaalsContact C-N 3.26Å; V136-K138 PolarHBondContact O-N 2.95Å; V136-A139 PolarHBondContact O-N 3.26Å; V136-R140 WeakPolarHBondContact O-CB 3.49Å; V136-R140 PolarHBondContact O-N 3.26Å
137M93.6Very high93.2Very high77 Ų7774.5 Ų74.538%0.37936%0.356SS..Hα-helixtrans-64.7-30176.6-70.5-65.3-69.400113L133L133-M137 HydrophobicContact CD1-CG 4.16Å; L133-M137 WeakPolarHBondContact O-CB 3.33Å; L133-M137 WeakPolarHBondContact O-CG 3.35Å; L133-M137 PolarHBondContact O-N 3.34Å
138K94.9Very high93.2Very high134 Ų13477.1 Ų77.158%0.58337%0.367SS*.Hα-helixtrans-74.7-43.1172.6-74.3170.8-176.1179.80112.2T111 D134 A135 V136 R140 K141T111-K138 HydrophobicContact CG2-CB 4.02Å; D134-K138 WeakPolarHBondContact O-CB 3.29Å; D134-K138 WeakPolarHBondContact O-CG 3.41Å; D134-K138 PolarHBondContact O-N 3.24Å; A135-K138 PolarHBondContact O-N 3.42Å; V136-K138 VanDerWaalsContact C-N 3.26Å; V136-K138 PolarHBondContact O-N 2.95Å; K138-R140 VanDerWaalsContact C-N 3.25Å; K138-R140 PolarHBondContact O-N 3.41Å; K138-K141 PolarHBondContact O-N 3.3Å
139A93.9Very high93Very high16 Ų1678.9 Ų78.913%0.13238%0.375CS..Hα-helixtrans-68.4-22.8179.800000113.7I107 T111 A113 L115 V129 A135 V136I107-A139 HydrophobicContact CG2-CB 4.23Å; T111-A139 HydrophobicContact CG2-CB 4.05Å; A113-A139 HydrophobicContact CB-CB 3.94Å; L115-A139 HydrophobicContact CD1-CB 4.23Å; V129-A139 HydrophobicContact CG1-CB 3.83Å; A135-A139 WeakPolarHBondContact O-CB 3.49Å; A135-A139 PolarHBondContact O-N 3.02Å; V136-A139 PolarHBondContact O-N 3.26Å
140R89.9Confident92.7Very high135 Ų13585.2 Ų85.251%0.50940%0.404SS..THydrogen-bonded Turntrans-76-21.3177.6-162.5-172.879.5-169.36.2114.1F80 V136 K138F80-R140 HydrophobicContact CE1-CG 4.21Å; F80-R140 HydrophobicContact CE2-CG 4.28Å; F80-R140 HydrophobicContact CZ-CG 3.65Å; V136-R140 WeakPolarHBondContact O-CB 3.49Å; V136-R140 PolarHBondContact O-N 3.26Å; K138-R140 VanDerWaalsContact C-N 3.25Å; K138-R140 PolarHBondContact O-N 3.41Å
141K78.9Confident92.5Very high242 Ų24290.5 Ų90.5100%1.05243%0.425SS*.  trans-79.70-175.2-80.9-176176.7-176.90111.5K138K138-K141 PolarHBondContact O-N 3.3Å

Retrieved 141 of 141 residues in 82 ms (Link to these results)