A0A096NTI9_PAPAN Loading...

Protein phosphatase 1 regulatory subunit 14

Inhibitor of PPP1CA. Has inhibitory activity only when phosphorylated, creating a molecular switch for regulating the phosphorylation status of PPP1CA substrates and smooth muscle contraction.

AlphaFold DB , UniProt , Accession A0A096NTI9, Species PAPAN (Papio anubis, Olive baboon), Gene PPP1R14D, Length 145 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
1M42.8Very low48Very low241 Ų241132.2 Ų132.2100%1.18784%0.844SS**  0111.30-58.6-156.4105.900106.6
2L49.4Very low48.2Very low174 Ų174131.8 Ų131.891%0.91184%0.843SS**PPolyproline II helixtrans-100.3126.9-170.6-71.7165.2000109.8
3S44.4Very low48.1Very low119 Ų119130.2 Ų130.283%0.83284%0.838SS**PPolyproline II helixtrans-57.1133.7-175.9-165.30000112.5
4S46.8Very low48.6Very low115 Ų115129.5 Ų129.580%0.80483%0.834SS**PPolyproline II helixtrans-99.2116.4171.4-66.10000109.5
5S59.3Low48.6Very low109 Ų109132.3 Ų132.376%0.76284%0.84SS**PPolyproline II helixtrans-80.2139.7168.2-63.60000110.4
6P58Low48.6Very low122 Ų122126.8 Ų126.879%0.79282%0.815SS**PPolyproline II helixtrans-76.7141.7173.630.4-32.5000111.4S8P6-S8 PolarHBondContact O-N 3.26Å
7A46.7Very low48.8Very low102 Ų102130.6 Ų130.684%0.84382%0.82SS**PPolyproline II helixtrans-69.2127.8176.800000111.2C9A7-C9 PolarHBondContact O-N 3.29Å
8S43.5Very low48.7Very low113 Ų113130.8 Ų130.879%0.7981%0.814SS**PPolyproline II helixtrans-58.9128.9173.2-59.30000111.2P6 T10P6-S8 PolarHBondContact O-N 3.26Å; S8-T10 PolarHBondContact O-N 3.23Å; S8-T10 VanDerWaalsContact O-N 3.15Å
9C44.2Very low49Very low127 Ų127131.1 Ų131.186%0.85882%0.818SS**  trans-75.196.2171.341.70000109.5A7 S11A7-C9 PolarHBondContact O-N 3.29Å; C9-S11 PolarHBondContact O-N 3.42Å
10T49.6Very low48.9Very low132 Ų132130.4 Ų130.481%0.8182%0.817SS**  trans-73.9113.6169.6-58.80000109.1S8S8-T10 PolarHBondContact O-N 3.23Å; S8-T10 VanDerWaalsContact O-N 3.15Å
11S43.4Very low49.3Very low100 Ų100133.1 Ų133.170%0.69982%0.816SS**PPolyproline II helixtrans-71.7138.9168.7-63.30000109.8C9 S13C9-S11 PolarHBondContact O-N 3.42Å; S11-S13 PolarHBondContact O-N 2.68Å
12P50.7Low49.8Very low127 Ų127130.9 Ų130.983%0.82580%0.8SS**PPolyproline II helixtrans-78.7119.7175.429.4-28.1000110
13S47.1Very low50.3Low112 Ų112127.9 Ų127.978%0.78379%0.789SS**PPolyproline II helixtrans-61.9143.2166.6-72.60000111S11 D15S11-S13 PolarHBondContact O-N 2.68Å; S13-D15 PolarHBondContact O-N 2.83Å
14P53.9Low50.4Low120 Ų120129.3 Ų129.378%0.77978%0.782SS**  trans-98.483.2178.136.5-26.9000109.6
15D49.6Very low50.5Low172 Ų172134.3 Ų134.392%0.9278%0.783SS**  trans-156.9128.1161.9-121.8-60.4000110.9S13S13-D15 PolarHBondContact O-N 2.83Å
16G48.9Very low49.9Very low43 Ų43133.6 Ų133.644%0.44378%0.784SS.*  trans134.270.5-171.200000112.8N18G16-N18 PolarHBondContact O-N 3.38Å; G16-N18 PolarHBondContact O-ND2 3.41Å
17E51.4Low49.7Very low193 Ų193133.5 Ų133.590%0.90279%0.787SS**  trans4.8101.9141.340-179.676.100116.3
18N46.9Very low49.8Very low134 Ų134131.7 Ų131.772%0.71778%0.777SS**  trans-132.5101.5168.9-82.6-89.4000108.4G16 C20G16-N18 PolarHBondContact O-N 3.38Å; G16-N18 PolarHBondContact O-ND2 3.41Å; N18-C20 PolarHBondContact O-N 3.02Å
19P53.4Low50.1Low135 Ų135136.7 Ų136.788%0.87778%0.779SS**  trans-81.736-175.234.5-36.1000112.9
20C48Very low50.6Low118 Ų118141.9 Ų141.980%0.79778%0.781SS**  trans-145.348.4-172.1-127.50000113.8N18N18-C20 PolarHBondContact O-N 3.02Å
21K57.1Low50.7Low187 Ų187145.4 Ų145.481%0.81378%0.779SS**  trans-138.561.4160.8-61.7-175.5-173.8174.50109.8V23K21-V23 PolarHBondContact O-N 3.28Å
22K53.1Low51Low194 Ų194146.6 Ų146.684%0.84378%0.782SS**  trans-69.999.2165.6-168.4167.9-176.8-1770107.2H24K22-H24 VanDerWaalsContact C-N 3.26Å; K22-H24 PolarHBondContact O-N 2.76Å
23V60.6Low50.6Low112 Ų112145.2 Ų145.268%0.67978%0.776SS**  trans-68.392.3171.6-175.50000106.9K21 W25K21-V23 PolarHBondContact O-N 3.28Å; V23-W25 PolarHBondContact O-N 3.37Å
24H46.8Very low50.5Low148 Ų148145.8 Ų145.869%0.68578%0.78SS**  trans-77.6101.9173.4-173.3-95.4000107.3K22 A26K22-H24 VanDerWaalsContact C-N 3.26Å; K22-H24 PolarHBondContact O-N 2.76Å; H24-A26 PolarHBondContact O-N 2.95Å
25W49.3Very low50.1Low220 Ų220146 Ų14683%0.83378%0.779SS**  trans-53.2117.3163.6-64.7106.8000107.2V23 S27V23-W25 PolarHBondContact O-N 3.37Å; W25-S27 PolarHBondContact O-N 3.49Å
26A46.7Very low50.1Low94 Ų94144.9 Ų144.978%0.77777%0.773SS**  trans-64.884.4176.300000109H24 G28H24-A26 PolarHBondContact O-N 2.95Å; A26-G28 PolarHBondContact O-N 3.41Å; A26-G28 VanDerWaalsContact O-N 3.11Å
27S53.6Low50.3Low121 Ų121147.8 Ų147.885%0.84679%0.787SS**  trans-71.499.2160.8-165.30000106.1W25W25-S27 PolarHBondContact O-N 3.49Å
28G47.6Very low50.1Low63 Ų63147.5 Ų147.565%0.64979%0.785SS**  trans-168.378.5-171.400000113.9A26A26-G28 PolarHBondContact O-N 3.41Å; A26-G28 VanDerWaalsContact O-N 3.11Å
29R50.2Low49.8Very low219 Ų219146.9 Ų146.983%0.82679%0.791SS**  trans-148.764.3137-150.9177.2-72.8-1003.8111.9R31R29-R31 PolarHBondContact O-N 3.3Å
30R54.6Low49.3Very low235 Ų235150 Ų15089%0.88779%0.791SS**  trans-78.6101.9152.9-156.5-174.9-67.2-123.84.8106T32R30-T32 PolarHBondContact O-N 2.93Å
31R51.5Low49Very low206 Ų206148.9 Ų148.978%0.77778%0.784SS**  trans-75.5103.3177.6-166.2-172.8-66-165.1-0107R29R29-R31 PolarHBondContact O-N 3.3Å
32T49.8Very low48.4Very low126 Ų126148.5 Ų148.577%0.77379%0.785SS**  trans-92106.2165.154.70000107.2R30R30-T32 PolarHBondContact O-N 2.93Å
33S42.9Very low48.2Very low98 Ų98145 Ų14569%0.68578%0.783SS**  trans-115.296.116652.50000107.5
34S45.6Very low47.4Very low123 Ų123146 Ų14686%0.8678%0.784SS**  trans-98.9105.1156.5-66.70000106.8
35T44.8Very low47.6Very low125 Ų125144.9 Ų144.977%0.76779%0.793SS**  trans-141.5111.9151.8112.70000105.4
36D49.3Very low47.8Very low149 Ų149137.9 Ų137.980%0.79778%0.778SS**  trans-62.7133156.8168.2-98.6000107.5
37S52.6Low48.3Very low104 Ų104142.6 Ų142.673%0.72778%0.78SS**  trans179.898.1156.7-81.30000108.2
38E47.1Very low48.3Very low187 Ų187144.6 Ų144.687%0.87478%0.78SS**  trans-60.9128.9158.3-80.9-143.18900109.8
39S41Very low48.6Very low121 Ų121147.1 Ų147.185%0.84679%0.785SS**  trans-168.8122.6146.7-79.90000110.7
40K44.1Very low49.2Very low201 Ų201147.8 Ų147.887%0.87479%0.787SS**  trans-55.2143.9170.1-82.8174.9161.9173.30112.2
41S40Very low49.6Very low93 Ų93141.3 Ų141.365%0.6578%0.778SS**  145.5141.6118.8-56.40000113.1
42H44.8Very low50.3Low179 Ų179143 Ų14383%0.82979%0.785SS**  trans98.6113.7162.9-58.1-74.7000118.4
43P50.2Low51.3Low122 Ų122147.4 Ų147.479%0.79279%0.787SS**  trans-87.1113.7168.633.7-24.8000108.8
44D43.9Very low52.4Low132 Ų132148.5 Ų148.571%0.70679%0.792SS**  trans-133.571.7157.1-148.6-22.7000109.4S46D44-S46 PolarHBondContact O-N 3.41Å; D44-S46 VanDerWaalsContact O-N 3.08Å; D44-S46 WeakPolarHBondContact OD1-CB 3.31Å; D44-S46 PolarHBondContact OD1-OG 3.45Å
45S49.5Very low53.6Low125 Ų125147.6 Ų147.687%0.87479%0.786SS**  trans-80.160.3168.1550000109.3
46S53.3Low54.9Low73 Ų73152.5 Ų152.551%0.5179%0.79SS.*  trans-132.1117.1172.777.30000111D44D44-S46 PolarHBondContact O-N 3.41Å; D44-S46 VanDerWaalsContact O-N 3.08Å; D44-S46 WeakPolarHBondContact OD1-CB 3.31Å; D44-S46 PolarHBondContact OD1-OG 3.45Å
47K58.2Low56Low193 Ų193153.3 Ų153.384%0.83979%0.793SS**  trans78.964.9163.5-45.6-171.9-172.8-177.80118
48I52.4Low57.2Low162 Ų162153.5 Ų153.583%0.83179%0.79SS**  trans-107.9110.1142.3-57169.6000106.4R50I48-R50 PolarHBondContact O-N 2.94Å
49P54.3Low58.8Low116 Ų116150.1 Ų150.175%0.75378%0.782SS**  trans-61.5111.7171.924.4-28.9000106.7S51P49-S51 PolarHBondContact O-N 3.19Å
50R62.9Low60.7Low234 Ų234153.4 Ų153.488%0.88378%0.781SS**  trans-49.2108167.4-82.2174.7138113.3-5.5106.1I48 R52I48-R50 PolarHBondContact O-N 2.94Å; R50-R52 PolarHBondContact O-N 3.22Å
51S64.3Low62.5Low99 Ų99152.5 Ų152.569%0.69277%0.773SS**  trans-45105.9174.1170.80000107.5P49 R53P49-S51 PolarHBondContact O-N 3.19Å; S51-R53 PolarHBondContact O-N 2.98Å
52R66.2Low64.8Low242 Ų242151.8 Ų151.891%0.91376%0.763SS**  trans-65.991.3171.8-74-171.1-156.1-137.14.9105R50 P54R50-R52 PolarHBondContact O-N 3.22Å; R52-P54 WeakPolarHBondContact O-CD 3.49Å
53R69.9Low66.9Low217 Ų217153.4 Ų153.482%0.81976%0.761SS**PPolyproline II helixtrans-60.9125.3169-65.1-160.5175.5-152.6-0.9106.1S51 S55S51-R53 PolarHBondContact O-N 2.98Å; R53-S55 PolarHBondContact O-N 3.49Å
54P66.2Low68.8Low122 Ų122149 Ų14979%0.79274%0.738SS**PPolyproline II helixtrans-56.5120.8171.622.9-30.7000106.9R52 R56R52-P54 WeakPolarHBondContact O-CD 3.49Å; P54-R56 PolarHBondContact O-N 3.26Å; P54-R56 VanDerWaalsContact O-N 3.1Å
55S70.2Confident70.9Confident104 Ų104144.9 Ų144.973%0.72772%0.715SS**PPolyproline II helixtrans-57.4118.217253.80000106.6R53 L57R53-S55 PolarHBondContact O-N 3.49Å; S55-L57 PolarHBondContact O-N 2.93Å
56R71.8Confident72.8Confident228 Ų228143.4 Ų143.486%0.8670%0.696SS**  trans-54.6107.4175.8-96.8172.3133.3177.5-5.5108.4P54 T58P54-R56 PolarHBondContact O-N 3.26Å; P54-R56 VanDerWaalsContact O-N 3.1Å; R56-T58 HydrophobicContact CB-CG2 4.38Å; R56-T58 PolarHBondContact O-N 3.07Å
57L72.9Confident74.7Confident166 Ų166144.1 Ų144.187%0.86969%0.692SS**  trans-81.666174.8-162.490.8000108.1S55 V59S55-L57 PolarHBondContact O-N 2.93Å; L57-V59 PolarHBondContact O-N 2.91Å
58T77.1Confident76.3Confident108 Ų108138.6 Ų138.666%0.66367%0.665SS**PPolyproline II helixtrans-82.6119.1174.649.20000108.1R56 K60R56-T58 HydrophobicContact CB-CG2 4.38Å; R56-T58 PolarHBondContact O-N 3.07Å; T58-K60 PolarHBondContact O-N 2.92Å
59V81.1Confident78.2Confident115 Ų115133.9 Ų133.970%0.69764%0.637SS**PPolyproline II helixtrans-57128.1166.1178.30000107.5L57L57-V59 PolarHBondContact O-N 2.91Å
60K81.3Confident80.1Confident191 Ų191132.9 Ų132.983%0.8363%0.625SS**PPolyproline II helixtrans-83.5121177-177.3-176.4172.3-173.20108.2T58T58-K60 PolarHBondContact O-N 2.92Å
61Y82.8Confident81.6Confident181 Ų181126.8 Ų126.871%0.7161%0.607SS**PPolyproline II helixtrans-75.3137.5167.9-62.5-81.1000110.1
62D87.1Confident83Confident79 Ų79122.8 Ų122.842%0.42258%0.577SS.*  trans-88.5107.1168.4-178.3-5000109.1G64 Q65 L66D62-G64 PolarHBondContact O-N 3.5Å; D62-G64 WeakPolarHBondContact OD1-CA 3.35Å; D62-G64 PolarHBondContact OD1-N 3.28Å; D62-Q65 HydrophobicContact CB-CB 3.77Å; D62-Q65 WeakPolarHBondContact O-CB 3.21Å; D62-Q65 PolarHBondContact O-N 3.24Å; D62-Q65 PolarHBondContact OD1-N 3.2Å; D62-L66 PolarHBondContact O-N 3.34Å; D62-L66 VanDerWaalsContact O-N 3.08Å
63R89.2Confident84.3Confident212 Ų212116 Ų11680%0.856%0.556SS**Hα-helixtrans-57.5-34.9177.5-176.8177.6176.1-141.8-2.1112.1Q65 Q67R63-Q65 VanDerWaalsContact C-N 3.34Å; R63-Q67 WeakPolarHBondContact O-CB 3.44Å; R63-Q67 PolarHBondContact O-N 3.1Å
64G90.1Very high85.5Confident29 Ų29112.5 Ų112.530%0.29955%0.549SS..Hα-helixtrans-70.2-33.8177.900000112.1D62 R68D62-G64 PolarHBondContact O-N 3.5Å; D62-G64 WeakPolarHBondContact OD1-CA 3.35Å; D62-G64 PolarHBondContact OD1-N 3.28Å; G64-R68 WeakPolarHBondContact O-CG 3.37Å; G64-R68 PolarHBondContact O-N 2.98Å; G64-R68 PolarHBondContact O-NH1 3.38Å
65Q88.3Confident86.9Confident47 Ų47109.8 Ų109.822%0.2252%0.523CS..Hα-helixtrans-66.2-47.2173.7-172.5-169.41000111.5D62 R63 Q67 R68 W69 S141D62-Q65 HydrophobicContact CB-CB 3.77Å; D62-Q65 WeakPolarHBondContact O-CB 3.21Å; D62-Q65 PolarHBondContact O-N 3.24Å; D62-Q65 PolarHBondContact OD1-N 3.2Å; R63-Q65 VanDerWaalsContact C-N 3.34Å; Q65-Q67 VanDerWaalsContact C-N 3.29Å; Q65-Q67 PolarHBondContact O-N 3.4Å; Q65-R68 PolarHBondContact O-N 3.14Å; Q65-W69 PolarHBondContact O-N 2.92Å; Q65-W69 VanDerWaalsContact O-N 3.09Å; Q65-S141 VanDerWaalsContact NE2-CA 3.27Å
66L89.9Confident88Confident94 Ų94104.9 Ų104.949%0.49249%0.489SS..Hα-helixtrans-60.7-40.5177.9-67.4172.9000111.8D62 R68 W69 L70D62-L66 PolarHBondContact O-N 3.34Å; D62-L66 VanDerWaalsContact O-N 3.08Å; L66-R68 PolarHBondContact O-N 3.01Å; L66-W69 WeakPolarHBondContact O-CB 3.3Å; L66-W69 PolarHBondContact O-N 3.36Å; L66-L70 PolarHBondContact O-N 3.06Å
67Q92.6Very high88.9Confident88 Ų8898 Ų9841%0.41147%0.468SS..Hα-helixtrans-60.3-43.7175.9-176.364.528.400112.1R63 Q65 W69 L70 E71R63-Q67 WeakPolarHBondContact O-CB 3.44Å; R63-Q67 PolarHBondContact O-N 3.1Å; Q65-Q67 VanDerWaalsContact C-N 3.29Å; Q65-Q67 PolarHBondContact O-N 3.4Å; Q67-W69 VanDerWaalsContact C-N 3.3Å; Q67-W69 PolarHBondContact O-N 3.37Å; Q67-L70 PolarHBondContact O-N 2.94Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.32Å; Q67-E71 PolarHBondContact NE2-OE1 3.29Å; Q67-E71 VanDerWaalsContact NE2-OE1 3.14Å; Q67-E71 WeakPolarHBondContact O-CG 3.46Å; Q67-E71 PolarHBondContact O-N 3.06Å
68R91.8Very high89.8Confident77 Ų7792.3 Ų92.329%0.29145%0.446SS..Hα-helixtrans-65.3-33.6177-71.3-175.5-63.1-936.4113.1G64 Q65 L66 M72 L137G64-R68 WeakPolarHBondContact O-CG 3.37Å; G64-R68 PolarHBondContact O-N 2.98Å; G64-R68 PolarHBondContact O-NH1 3.38Å; Q65-R68 PolarHBondContact O-N 3.14Å; L66-R68 PolarHBondContact O-N 3.01Å; R68-M72 WeakPolarHBondContact O-CB 2.82Å; R68-M72 PolarHBondContact O-N 3.14Å; R68-M72 VanDerWaalsContact O-N 3.09Å; R68-L137 HydrophobicContact CB-CD2 4.03Å
69W92.4Very high90.5Very high62 Ų6289.7 Ų89.724%0.23543%0.426CS..Hα-helixtrans-62.8-49172.8-90.3103000111Q65 L66 Q67 E71 M72 E73 L97 M101 L137Q65-W69 PolarHBondContact O-N 2.92Å; Q65-W69 VanDerWaalsContact O-N 3.09Å; L66-W69 WeakPolarHBondContact O-CB 3.3Å; L66-W69 PolarHBondContact O-N 3.36Å; Q67-W69 VanDerWaalsContact C-N 3.3Å; Q67-W69 PolarHBondContact O-N 3.37Å; W69-E71 VanDerWaalsContact C-N 3.35Å; W69-E71 PolarHBondContact O-N 3.09Å; W69-M72 WeakPolarHBondContact O-CB 3.3Å; W69-M72 PolarHBondContact O-N 2.85Å; W69-M72 VanDerWaalsContact O-N 3.14Å; W69-E73 PolarHBondContact O-N 3.37Å; W69-L97 HydrophobicContact CE3-CB 4.31Å; W69-L97 HydrophobicContact CE3-CD1 4.5Å; W69-L97 HydrophobicContact CZ3-CB 3.58Å; W69-M101 HydrophobicContact CH2-CB 4.12Å; W69-M101 HydrophobicContact CH2-CG 3.49Å; W69-M101 VanDerWaalsContact CH2-CG 3.49Å; W69-M101 HydrophobicContact CZ2-CE 4.35Å; W69-M101 HydrophobicContact CZ2-CG 3.97Å; W69-M101 HydrophobicContact CZ3-CG 4.42Å; W69-L137 HydrophobicContact CD2-CD1 4.05Å; W69-L137 HydrophobicContact CE3-CD1 4.27Å
70L93.6Very high90.9Very high95 Ų9584.4 Ų84.450%0.49739%0.394SS..Hα-helixtrans-60.2-43.4177.5-177.466.7000112.4L66 Q67 M72 E73 Q74L66-L70 PolarHBondContact O-N 3.06Å; Q67-L70 PolarHBondContact O-N 2.94Å; L70-M72 VanDerWaalsContact C-N 3.27Å; L70-M72 PolarHBondContact O-N 3.18Å; L70-E73 PolarHBondContact O-N 3.33Å; L70-Q74 PolarHBondContact O-N 3.02Å
71E94.7Very high91.2Very high107 Ų10781.6 Ų81.650%0.538%0.384SS..Hα-helixtrans-61.8-37176.6-74.8167.1-167.500112Q67 W69 W75Q67-E71 WeakPolarHBondContact CG-OE1 3.32Å; Q67-E71 PolarHBondContact NE2-OE1 3.29Å; Q67-E71 VanDerWaalsContact NE2-OE1 3.14Å; Q67-E71 WeakPolarHBondContact O-CG 3.46Å; Q67-E71 PolarHBondContact O-N 3.06Å; W69-E71 VanDerWaalsContact C-N 3.35Å; W69-E71 PolarHBondContact O-N 3.09Å; E71-W75 WeakPolarHBondContact O-CB 3.11Å; E71-W75 PolarHBondContact O-N 3.1Å; E71-W75 VanDerWaalsContact O-N 3.09Å
72M93.9Very high91.5Very high15 Ų1577.2 Ų77.27%0.07437%0.37CS..Hα-helixtrans-69.2-45.8176.1-177.4167.1-57.900112.3R68 W69 L70 Q74 W75 V76 L97 L130 Q133 L134 L137R68-M72 WeakPolarHBondContact O-CB 2.82Å; R68-M72 PolarHBondContact O-N 3.14Å; R68-M72 VanDerWaalsContact O-N 3.09Å; W69-M72 WeakPolarHBondContact O-CB 3.3Å; W69-M72 PolarHBondContact O-N 2.85Å; W69-M72 VanDerWaalsContact O-N 3.14Å; L70-M72 VanDerWaalsContact C-N 3.27Å; L70-M72 PolarHBondContact O-N 3.18Å; M72-Q74 VanDerWaalsContact C-N 3.35Å; M72-Q74 PolarHBondContact O-N 2.88Å; M72-W75 PolarHBondContact O-N 3.38Å; M72-V76 HydrophobicContact CG-CG2 4.43Å; M72-V76 WeakPolarHBondContact O-CG2 3.24Å; M72-V76 PolarHBondContact O-N 2.87Å; M72-L97 HydrophobicContact CB-CD1 4.34Å; M72-L97 HydrophobicContact CG-CD1 3.84Å; M72-L97 HydrophobicContact SD-CD1 4.32Å; M72-L130 HydrophobicContact SD-CD1 4.49Å; M72-Q133 HydrophobicContact CE-CB 3.48Å; M72-Q133 VanDerWaalsContact CE-CB 3.48Å; M72-Q133 HydrophobicContact SD-CB 4.31Å; M72-L134 HydrophobicContact SD-CD2 4.05Å; M72-L137 HydrophobicContact CB-CD1 4.39Å; M72-L137 HydrophobicContact CE-CD1 3.22Å; M72-L137 HydrophobicContact CE-CD2 4.15Å; M72-L137 HydrophobicContact CE-CG 3.35Å; M72-L137 HydrophobicContact CG-CD1 4.45Å; M72-L137 HydrophobicContact SD-CD1 3.27Å; M72-L137 WeakPolarHBondContact SD-CD1 3.41Å; M72-L137 HydrophobicContact SD-CG 4.08Å
73E94.1Very high91.4Very high99 Ų9974.4 Ų74.446%0.46336%0.355SS..Hα-helixtrans-56-50.7177.7-172.2174.7-171.200110.5W69 L70 W75 V76 D77 L97W69-E73 PolarHBondContact O-N 3.37Å; L70-E73 PolarHBondContact O-N 3.33Å; E73-W75 VanDerWaalsContact C-N 3.32Å; E73-W75 PolarHBondContact O-N 3.42Å; E73-V76 PolarHBondContact O-N 2.9Å; E73-V76 VanDerWaalsContact O-N 3.14Å; E73-D77 PolarHBondContact O-N 3.18Å; E73-L97 HydrophobicContact CB-CD1 4.12Å
74Q94.4Very high91.1Very high143 Ų14365.2 Ų65.267%0.66832%0.321SS*.Hα-helixtrans-61.3-38.1176.7-179170.390.100113.2L70 M72 A78L70-Q74 PolarHBondContact O-N 3.02Å; M72-Q74 VanDerWaalsContact C-N 3.35Å; M72-Q74 PolarHBondContact O-N 2.88Å; Q74-A78 WeakPolarHBondContact O-CB 3.49Å; Q74-A78 PolarHBondContact O-N 3.27Å
75W95.2Very high90.6Very high65 Ų6569.9 Ų69.925%0.24634%0.335CS..Hα-helixtrans-65.1-43.5175.5172.779.3000111.6E71 M72 E73 A78 Q79 F126 E129 L130E71-W75 WeakPolarHBondContact O-CB 3.11Å; E71-W75 PolarHBondContact O-N 3.1Å; E71-W75 VanDerWaalsContact O-N 3.09Å; M72-W75 PolarHBondContact O-N 3.38Å; E73-W75 VanDerWaalsContact C-N 3.32Å; E73-W75 PolarHBondContact O-N 3.42Å; W75-A78 PolarHBondContact O-N 3.09Å; W75-Q79 HydrophobicContact CD2-CG 4.19Å; W75-Q79 HydrophobicContact CZ2-CG 3.87Å; W75-Q79 WeakPolarHBondContact O-CB 3.15Å; W75-Q79 VanDerWaalsContact O-CG 3.3Å; W75-Q79 WeakPolarHBondContact O-CG 3.46Å; W75-Q79 PolarHBondContact O-N 3.26Å; W75-F126 AromaticContact CH2-CD2 3.91Å; W75-F126 HydrophobicContact CH2-CD2 3.91Å; W75-F126 AromaticContact CH2-CE2 3.86Å; W75-F126 HydrophobicContact CH2-CE2 3.86Å; W75-F126 HydrophobicContact CZ2-CD2 4.4Å; W75-F126 HydrophobicContact CZ3-CD2 4.47Å; W75-F126 AromaticContact CZ3-CE2 3.95Å; W75-F126 HydrophobicContact CZ3-CE2 3.95Å; W75-E129 HydrophobicContact CH2-CB 4.05Å; W75-E129 HydrophobicContact CH2-CG 3.75Å; W75-E129 HydrophobicContact CZ2-CB 4.31Å; W75-E129 HydrophobicContact CZ2-CG 3.75Å; W75-L130 HydrophobicContact CH2-CB 4.33Å; W75-L130 HydrophobicContact CZ3-CB 4.1Å; W75-L130 HydrophobicContact CZ3-CD1 4.11Å
76V93.9Very high89.6Confident2 Ų273.4 Ų73.41%0.01236%0.355CS..Hα-helixtrans-61.6-47.6176.3167.80000110.7M72 E73 A78 Q79 V80 I95 L97 F126 L130M72-V76 HydrophobicContact CG-CG2 4.43Å; M72-V76 WeakPolarHBondContact O-CG2 3.24Å; M72-V76 PolarHBondContact O-N 2.87Å; E73-V76 PolarHBondContact O-N 2.9Å; E73-V76 VanDerWaalsContact O-N 3.14Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.47Å; V76-Q79 PolarHBondContact O-N 3.46Å; V76-V80 HydrophobicContact CG1-CG2 4.1Å; V76-V80 WeakPolarHBondContact O-CB 3.4Å; V76-V80 VanDerWaalsContact O-CG2 3.28Å; V76-V80 WeakPolarHBondContact O-CG2 3.34Å; V76-V80 PolarHBondContact O-N 3.41Å; V76-I95 HydrophobicContact CG1-CB 3.96Å; V76-I95 HydrophobicContact CG1-CD1 3.95Å; V76-I95 HydrophobicContact CG1-CG1 4.35Å; V76-I95 HydrophobicContact CG1-CG2 4.45Å; V76-L97 HydrophobicContact CG2-CD2 4.16Å; V76-F126 HydrophobicContact CG1-CZ 4.22Å; V76-L130 HydrophobicContact CG2-CD1 3.66Å; V76-L130 HydrophobicContact CG2-CD2 4.38Å
77D91.4Very high88.5Confident82 Ų8272.5 Ų72.544%0.43935%0.348SS..Hα-helixtrans-58-45.8178-71.2-19.7000111.8E73 Q79 V80 Q81E73-D77 PolarHBondContact O-N 3.18Å; D77-Q79 PolarHBondContact O-N 2.9Å; D77-V80 PolarHBondContact O-N 3.02Å; D77-Q81 WeakPolarHBondContact O-CB 3.47Å; D77-Q81 PolarHBondContact O-N 3.18Å
78A91.7Very high86.8Confident48 Ų4873.7 Ų73.740%0.39737%0.373SS..Hα-helixtrans-63.2-43.1178.600000112Q74 W75 V76 E82Q74-A78 WeakPolarHBondContact O-CB 3.49Å; Q74-A78 PolarHBondContact O-N 3.27Å; W75-A78 PolarHBondContact O-N 3.09Å; V76-A78 VanDerWaalsContact C-N 3.33Å; V76-A78 PolarHBondContact O-N 3.47Å; A78-E82 WeakPolarHBondContact O-CB 3.48Å; A78-E82 PolarHBondContact O-N 2.92Å
79Q91.3Very high85.2Confident52 Ų5273.7 Ų73.724%0.24338%0.382CS..Hα-helixtrans-68-42.6178.3-72.8-60.8-73.600112.2W75 V76 D77 E82 L83 F126W75-Q79 HydrophobicContact CD2-CG 4.19Å; W75-Q79 HydrophobicContact CZ2-CG 3.87Å; W75-Q79 WeakPolarHBondContact O-CB 3.15Å; W75-Q79 VanDerWaalsContact O-CG 3.3Å; W75-Q79 WeakPolarHBondContact O-CG 3.46Å; W75-Q79 PolarHBondContact O-N 3.26Å; V76-Q79 PolarHBondContact O-N 3.46Å; D77-Q79 PolarHBondContact O-N 2.9Å; Q79-E82 PolarHBondContact NE2-OE2 2.81Å; Q79-E82 WeakPolarHBondContact O-CB 3.48Å; Q79-E82 PolarHBondContact O-N 3.39Å; Q79-L83 VanDerWaalsContact O-CG 3.32Å; Q79-L83 WeakPolarHBondContact O-CG 3.29Å; Q79-L83 PolarHBondContact O-N 3.32Å; Q79-F126 HydrophobicContact CB-CD2 3.64Å; Q79-F126 HydrophobicContact CB-CE2 3.5Å; Q79-F126 HydrophobicContact CB-CZ 4.49Å; Q79-F126 HydrophobicContact CG-CD2 4.11Å; Q79-F126 HydrophobicContact CG-CE2 4.16Å
80V89.6Confident83.6Confident4 Ų477.1 Ų77.12%0.02442%0.415CS..Hα-helixtrans-65.6-43.9175.9172.50000110.1V76 D77 E82 L83 F84 A92 P93 I95 F126V76-V80 HydrophobicContact CG1-CG2 4.1Å; V76-V80 WeakPolarHBondContact O-CB 3.4Å; V76-V80 VanDerWaalsContact O-CG2 3.28Å; V76-V80 WeakPolarHBondContact O-CG2 3.34Å; V76-V80 PolarHBondContact O-N 3.41Å; D77-V80 PolarHBondContact O-N 3.02Å; V80-E82 VanDerWaalsContact C-N 3.28Å; V80-E82 PolarHBondContact O-N 3.4Å; V80-L83 PolarHBondContact O-N 3.14Å; V80-F84 HydrophobicContact CG1-CD2 4.05Å; V80-F84 HydrophobicContact CG1-CE2 4.3Å; V80-F84 VanDerWaalsContact O-CD2 3.24Å; V80-F84 WeakPolarHBondContact O-CD2 3.39Å; V80-F84 PolarHBondContact O-N 2.84Å; V80-F84 VanDerWaalsContact O-N 3.1Å; V80-A92 HydrophobicContact CG1-CB 4Å; V80-P93 HydrophobicContact CG1-CG 3.93Å; V80-P93 WeakPolarHBondContact CG1-O 3.47Å; V80-I95 HydrophobicContact CG2-CD1 3.51Å; V80-I95 HydrophobicContact CG2-CG1 4.21Å; V80-F126 HydrophobicContact CG2-CE1 4.26Å; V80-F126 HydrophobicContact CG2-CZ 3.92Å
81Q87.9Confident82.4Confident132 Ų13277.1 Ų77.162%0.61742%0.423SS*.Hα-helixtrans-56.6-45.5173.5-173.7178-1.300110.7D77 L83 F84 Q85D77-Q81 WeakPolarHBondContact O-CB 3.47Å; D77-Q81 PolarHBondContact O-N 3.18Å; Q81-L83 PolarHBondContact O-N 3.46Å; Q81-F84 CarbonylContact O-C 3.46Å; Q81-F84 PolarHBondContact O-N 2.8Å; Q81-Q85 WeakPolarHBondContact O-CG 3.27Å; Q81-Q85 PolarHBondContact O-N 3.39Å
82E88.3Confident81.6Confident89 Ų8974.1 Ų74.142%0.41642%0.416SS..Hα-helixtrans-59.2-45.6176.8-170.6-176.7164.400113.4A78 Q79 V80 F84 Q85 R121A78-E82 WeakPolarHBondContact O-CB 3.48Å; A78-E82 PolarHBondContact O-N 2.92Å; Q79-E82 PolarHBondContact NE2-OE2 2.81Å; Q79-E82 WeakPolarHBondContact O-CB 3.48Å; Q79-E82 PolarHBondContact O-N 3.39Å; V80-E82 VanDerWaalsContact C-N 3.28Å; V80-E82 PolarHBondContact O-N 3.4Å; E82-F84 PolarHBondContact O-N 2.56Å; E82-Q85 PolarHBondContact O-N 2.88Å; E82-R121 PolarHBondContact O-NH1 3.08Å
83L86.2Confident81.2Confident20 Ų2075 Ų7511%0.10542%0.424CS..Hα-helixtrans-62.9-28.7178.1-72172.4000112.9Q79 V80 Q81 R121 T123 F126Q79-L83 VanDerWaalsContact O-CG 3.32Å; Q79-L83 WeakPolarHBondContact O-CG 3.29Å; Q79-L83 PolarHBondContact O-N 3.32Å; V80-L83 PolarHBondContact O-N 3.14Å; Q81-L83 PolarHBondContact O-N 3.46Å; L83-R121 HydrophobicContact CD2-CB 4.04Å; L83-T123 HydrophobicContact CD1-CG2 4.37Å; L83-F126 HydrophobicContact CD1-CB 4.23Å; L83-F126 HydrophobicContact CD1-CD1 4.05Å; L83-F126 HydrophobicContact CD1-CG 4.09Å
84F82.9Confident80.8Confident19 Ų1978.6 Ų78.68%0.08344%0.44CS..Hα-helixtrans-107.17.6-176.5-72.1-99.3000114.1V80 Q81 E82 D86 Q87 A92 P93 L116 C119V80-F84 HydrophobicContact CG1-CD2 4.05Å; V80-F84 HydrophobicContact CG1-CE2 4.3Å; V80-F84 VanDerWaalsContact O-CD2 3.24Å; V80-F84 WeakPolarHBondContact O-CD2 3.39Å; V80-F84 PolarHBondContact O-N 2.84Å; V80-F84 VanDerWaalsContact O-N 3.1Å; Q81-F84 CarbonylContact O-C 3.46Å; Q81-F84 PolarHBondContact O-N 2.8Å; E82-F84 PolarHBondContact O-N 2.56Å; F84-D86 PolarHBondContact O-N 2.89Å; F84-Q87 VanDerWaalsContact CD1-NE2 3.3Å; F84-Q87 PolarHBondContact O-N 3.11Å; F84-A92 HydrophobicContact CB-CB 4.12Å; F84-A92 HydrophobicContact CG-CB 4.41Å; F84-P93 HydrophobicContact CD2-CG 4.28Å; F84-P93 HydrophobicContact CE1-CG 4.21Å; F84-P93 HydrophobicContact CE2-CG 3.59Å; F84-P93 HydrophobicContact CZ-CG 3.56Å; F84-L116 HydrophobicContact CE2-CD2 3.87Å; F84-L116 HydrophobicContact CZ-CD2 4.33Å; F84-C119 HydrophobicContact CE2-CB 4.32Å; F84-C119 HydrophobicContact CZ-CB 3.98Å
85Q78.3Confident80.7Confident127 Ų12772.3 Ų72.359%0.59341%0.411SS*.THydrogen-bonded Turntrans-52.9-31-179.4-86.9173.828.400114.1Q81 E82Q81-Q85 WeakPolarHBondContact O-CG 3.27Å; Q81-Q85 PolarHBondContact O-N 3.39Å; E82-Q85 PolarHBondContact O-N 2.88Å
86D68.7Low80.5Confident121 Ų12173.2 Ų73.265%0.64742%0.421SS*.THydrogen-bonded Turntrans-90-4.9-177.5-57.3-32.6000113.5F84 R121F84-D86 PolarHBondContact O-N 2.89Å; D86-R121 VanDerWaalsContact CG-NH2 3.31Å; D86-R121 IonicContact OD1-NH2 3.42Å; D86-R121 PolarHBondContact OD1-NH2 3.07Å; D86-R121 IonicContact OD2-CZ 3.42Å; D86-R121 IonicContact OD2-NE 3.38Å; D86-R121 PolarHBondContact OD2-NE 3.31Å; D86-R121 IonicContact OD2-NH2 2.68Å; D86-R121 PolarHBondContact OD2-NH2 3.26Å
87Q64.9Low80.4Confident76 Ų7673.6 Ų73.636%0.35542%0.423SS..  trans-87.8121.9-178.8-138.1-174.9116.700109.9F84 T89F84-Q87 VanDerWaalsContact CD1-NE2 3.3Å; F84-Q87 PolarHBondContact O-N 3.11Å; Q87-T89 WeakPolarHBondContact CB-OG1 3.32Å; Q87-T89 WeakPolarHBondContact CG-OG1 3.5Å; Q87-T89 PolarHBondContact O-N 3.19Å; Q87-T89 VanDerWaalsContact O-N 3.14Å; Q87-T89 PolarHBondContact OE1-OG1 3.13Å
88A58.1Low80.3Confident112 Ų11276.4 Ų76.493%0.92643%0.433SS*.  trans-69.5-3.8177.100000113.8
89T58.5Low80.3Confident77 Ų7775.6 Ų75.647%0.47243%0.426SS..SBendtrans-78.2120.1173.140.50000108.7Q87 S91Q87-T89 WeakPolarHBondContact CB-OG1 3.32Å; Q87-T89 WeakPolarHBondContact CG-OG1 3.5Å; Q87-T89 PolarHBondContact O-N 3.19Å; Q87-T89 VanDerWaalsContact O-N 3.14Å; Q87-T89 PolarHBondContact OE1-OG1 3.13Å; T89-S91 PolarHBondContact O-N 3.18Å
90S58.2Low80.3Confident135 Ų13573.1 Ų73.194%0.94442%0.415SS*.SBendtrans-69.710.1-172.764.10000115
91S68.9Low80.3Confident95 Ų9574.2 Ų74.266%0.66442%0.42SS*.  trans-133.794.7-175-161.40000109.4T89T89-S91 PolarHBondContact O-N 3.18Å
92A77.7Confident80.4Confident43 Ų4374.4 Ų74.436%0.35543%0.425SS..PPolyproline II helixtrans-62.2148.716100000108.6V80 F84V80-A92 HydrophobicContact CG1-CB 4Å; F84-A92 HydrophobicContact CB-CB 4.12Å; F84-A92 HydrophobicContact CG-CB 4.41Å
93P84.4Confident80.6Confident35 Ų3572.4 Ų72.423%0.22742%0.417CS..PPolyproline II helixtrans-66.5138.2179.725.7-32.3000111.4V80 F84 I115 L116V80-P93 HydrophobicContact CG1-CG 3.93Å; V80-P93 WeakPolarHBondContact CG1-O 3.47Å; F84-P93 HydrophobicContact CD2-CG 4.28Å; F84-P93 HydrophobicContact CE1-CG 4.21Å; F84-P93 HydrophobicContact CE2-CG 3.59Å; F84-P93 HydrophobicContact CZ-CG 3.56Å; P93-I115 HydrophobicContact CB-CG2 3.51Å; P93-I115 HydrophobicContact CG-CG2 4.06Å; P93-L116 HydrophobicContact CG-CD2 4.38Å
94E87.4Confident80.8Confident173 Ų17374.2 Ų74.281%0.80843%0.432SS*.PPolyproline II helixtrans-87.7130.2172.4-170.8177.7168.100109.7
95I90.9Very high81.1Confident11 Ų1175.7 Ų75.76%0.05644%0.442CS..  trans-105108.7-179.8-59.9-178.9000108.9V76 V80 L97 L100 L112 I115 F126 L130V76-I95 HydrophobicContact CG1-CB 3.96Å; V76-I95 HydrophobicContact CG1-CD1 3.95Å; V76-I95 HydrophobicContact CG1-CG1 4.35Å; V76-I95 HydrophobicContact CG1-CG2 4.45Å; V80-I95 HydrophobicContact CG2-CD1 3.51Å; V80-I95 HydrophobicContact CG2-CG1 4.21Å; I95-L97 HydrophobicContact CG2-CD2 4.29Å; I95-L97 PolarHBondContact O-N 3.43Å; I95-L100 HydrophobicContact CG2-CD1 3.5Å; I95-L112 HydrophobicContact CD1-CD2 4.04Å; I95-L112 HydrophobicContact CG2-CD2 3.91Å; I95-I115 HydrophobicContact CG1-CG2 4.42Å; I95-F126 HydrophobicContact CD1-CE1 3.87Å; I95-F126 HydrophobicContact CD1-CZ 3.95Å; I95-L130 HydrophobicContact CG2-CD2 4.47Å
96D91.5Very high81.6Confident85 Ų8576.1 Ų76.146%0.45544%0.444SS..  trans-74.8105.5175.5-177.6-7.3000111.4E98 A99 L100D96-E98 WeakPolarHBondContact OD1-CB 3.36Å; D96-E98 PolarHBondContact OD1-N 3.24Å; D96-A99 HydrophobicContact CB-CB 4.01Å; D96-A99 PolarHBondContact OD1-N 3.27Å; D96-A99 VanDerWaalsContact OD1-N 3.11Å; D96-A99 WeakPolarHBondContact OD2-CB 3.49Å; D96-L100 WeakPolarHBondContact O-CG 3.42Å; D96-L100 PolarHBondContact O-N 2.73Å; D96-L100 VanDerWaalsContact O-N 3.16Å
97L91.7Very high82.8Confident10 Ų1075.2 Ų75.25%0.05244%0.436CS..Hα-helixtrans-71.3-28.6179.6-61.6-177.6000113.3W69 M72 E73 V76 I95 L100 M101 L130 L134W69-L97 HydrophobicContact CE3-CB 4.31Å; W69-L97 HydrophobicContact CE3-CD1 4.5Å; W69-L97 HydrophobicContact CZ3-CB 3.58Å; M72-L97 HydrophobicContact CB-CD1 4.34Å; M72-L97 HydrophobicContact CG-CD1 3.84Å; M72-L97 HydrophobicContact SD-CD1 4.32Å; E73-L97 HydrophobicContact CB-CD1 4.12Å; V76-L97 HydrophobicContact CG2-CD2 4.16Å; I95-L97 HydrophobicContact CG2-CD2 4.29Å; I95-L97 PolarHBondContact O-N 3.43Å; L97-L100 HydrophobicContact CD2-CD1 4.31Å; L97-M101 WeakPolarHBondContact O-CB 3.22Å; L97-M101 WeakPolarHBondContact O-CG 3.36Å; L97-M101 PolarHBondContact O-N 2.89Å; L97-L130 HydrophobicContact CD2-CD1 4.09Å; L97-L134 HydrophobicContact CD2-CD2 4.43Å
98E90.2Very high84.1Confident140 Ų14071.6 Ų71.665%0.65442%0.419SS*.Hα-helixtrans-68.1-48.5176.7-175.5170.8-155.800109.6D96 L100 M101 D102D96-E98 WeakPolarHBondContact OD1-CB 3.36Å; D96-E98 PolarHBondContact OD1-N 3.24Å; E98-L100 VanDerWaalsContact C-N 3.32Å; E98-L100 PolarHBondContact O-N 3.43Å; E98-M101 WeakPolarHBondContact O-CA 3.42Å; E98-M101 WeakPolarHBondContact O-CB 3.24Å; E98-M101 PolarHBondContact O-N 3.21Å; E98-D102 PolarHBondContact O-N 2.91Å
99A91.1Very high85.7Confident31 Ų3170.7 Ų70.726%0.25639%0.394SS..Hα-helixtrans-57.9-44.417500000111.8D96 M101 D102 L103D96-A99 HydrophobicContact CB-CB 4.01Å; D96-A99 PolarHBondContact OD1-N 3.27Å; D96-A99 VanDerWaalsContact OD1-N 3.11Å; D96-A99 WeakPolarHBondContact OD2-CB 3.49Å; A99-M101 PolarHBondContact O-N 3.25Å; A99-D102 PolarHBondContact O-N 2.64Å; A99-L103 WeakPolarHBondContact O-CG 3.38Å
100L91.7Very high87.4Confident0 Ų071.2 Ų71.20%040%0.398CS..Hα-helixtrans-61.4-33.9175.9-71.6176.2000112.2I95 D96 L97 E98 D102 L103 Q108 Q111 L112 L130 L134 R138I95-L100 HydrophobicContact CG2-CD1 3.5Å; D96-L100 WeakPolarHBondContact O-CG 3.42Å; D96-L100 PolarHBondContact O-N 2.73Å; D96-L100 VanDerWaalsContact O-N 3.16Å; L97-L100 HydrophobicContact CD2-CD1 4.31Å; E98-L100 VanDerWaalsContact C-N 3.32Å; E98-L100 PolarHBondContact O-N 3.43Å; L100-D102 VanDerWaalsContact C-N 3.26Å; L100-D102 PolarHBondContact O-N 3.19Å; L100-L103 PolarHBondContact O-N 3.21Å; L100-Q108 HydrophobicContact CD2-CB 4.36Å; L100-Q108 HydrophobicContact CD2-CG 4.33Å; L100-Q108 WeakPolarHBondContact O-CG 3.41Å; L100-Q108 PolarHBondContact O-NE2 3.41Å; L100-Q111 HydrophobicContact CD2-CB 4.34Å; L100-Q111 HydrophobicContact CD2-CG 4.27Å; L100-L112 HydrophobicContact CD1-CD2 3.86Å; L100-L112 HydrophobicContact CD1-CG 4.32Å; L100-L112 HydrophobicContact CD2-CG 4.3Å; L100-L130 HydrophobicContact CD1-CD2 4.5Å; L100-L134 HydrophobicContact CB-CD1 4.11Å; L100-L134 HydrophobicContact CD1-CD1 4.22Å; L100-R138 PolarHBondContact O-NH2 3.27Å
101M89Confident89Confident27 Ų2767.8 Ų67.813%0.13337%0.367CS..Hα-helixtrans-71.7-16.9179.9-80.9-70.7-59.900114.4W69 L97 E98 A99 L134 R138W69-M101 HydrophobicContact CH2-CB 4.12Å; W69-M101 HydrophobicContact CH2-CG 3.49Å; W69-M101 VanDerWaalsContact CH2-CG 3.49Å; W69-M101 HydrophobicContact CZ2-CE 4.35Å; W69-M101 HydrophobicContact CZ2-CG 3.97Å; W69-M101 HydrophobicContact CZ3-CG 4.42Å; L97-M101 WeakPolarHBondContact O-CB 3.22Å; L97-M101 WeakPolarHBondContact O-CG 3.36Å; L97-M101 PolarHBondContact O-N 2.89Å; E98-M101 WeakPolarHBondContact O-CA 3.42Å; E98-M101 WeakPolarHBondContact O-CB 3.24Å; E98-M101 PolarHBondContact O-N 3.21Å; A99-M101 PolarHBondContact O-N 3.25Å; M101-L134 HydrophobicContact CG-CD2 3.97Å; M101-L134 HydrophobicContact SD-CB 4.37Å; M101-L134 HydrophobicContact SD-CD2 3.89Å; M101-R138 HydrophobicContact CE-CB 4.23Å; M101-R138 HydrophobicContact CE-CG 3.48Å; M101-R138 VanDerWaalsContact CE-CG 3.48Å; M101-R138 VanDerWaalsContact O-CZ 3.3Å; M101-R138 PolarHBondContact O-NE 2.94Å; M101-R138 PolarHBondContact O-NH2 2.8Å; M101-R138 HydrophobicContact SD-CG 3.6Å
102D89.9Confident90.1Very high136 Ų13663.2 Ų63.273%0.72734%0.335SS*.Hα-helixtrans-87-18.7174.1-69.6-26.2000113.3E98 A99 L100E98-D102 PolarHBondContact O-N 2.91Å; A99-D102 PolarHBondContact O-N 2.64Å; L100-D102 VanDerWaalsContact C-N 3.26Å; L100-D102 PolarHBondContact O-N 3.19Å
103L91.5Very high90.8Very high47 Ų4765.4 Ų65.425%0.24634%0.338CS..SBendtrans-89.4157.4-174.7-64174.1000114.3A99 L100 E107 Q108 R138A99-L103 WeakPolarHBondContact O-CG 3.38Å; L100-L103 PolarHBondContact O-N 3.21Å; L103-E107 HydrophobicContact CB-CB 3.99Å; L103-E107 HydrophobicContact CD1-CB 4.46Å; L103-E107 HydrophobicContact CD2-CB 4.38Å; L103-Q108 HydrophobicContact CB-CG 4.07Å; L103-R138 PolarHBondContact O-NH2 3.15Å
104S91.1Very high91.1Very high59 Ų5967.4 Ų67.441%0.41336%0.357SS..  trans-69.2161170.470.60000111.9E106 E107 Q108S104-E106 VanDerWaalsContact C-N 3.25Å; S104-E106 PolarHBondContact O-N 3.09Å; S104-E107 VanDerWaalsContact CB-OE2 3.26Å; S104-E107 WeakPolarHBondContact CB-OE2 3.28Å; S104-E107 PolarHBondContact N-OE2 3.46Å; S104-E107 PolarHBondContact O-N 2.99Å; S104-E107 VanDerWaalsContact OG-CG 3.32Å; S104-E107 WeakPolarHBondContact OG-CG 3.17Å; S104-E107 PolarHBondContact OG-OE2 3.42Å; S104-Q108 VanDerWaalsContact O-CG 3.28Å; S104-Q108 WeakPolarHBondContact O-CG 3.4Å; S104-Q108 PolarHBondContact O-N 3.47Å
105T88.4Confident91.2Very high49 Ų4961.5 Ų61.530%0.30133%0.331SS..Hα-helixtrans-60.5-33.2-177.1-56.70000113.3K109T105-K109 PolarHBondContact O-N 2.86Å
106E89.9Confident91Very high137 Ų13761.1 Ų61.164%0.6433%0.329SS*.Hα-helixtrans-70.1-46.3176.5-61-55.1118.500110.8S104 Q108 K109 T110S104-E106 VanDerWaalsContact C-N 3.25Å; S104-E106 PolarHBondContact O-N 3.09Å; E106-Q108 VanDerWaalsContact C-N 3.34Å; E106-Q108 PolarHBondContact O-N 3.27Å; E106-K109 PolarHBondContact O-N 3.43Å; E106-T110 PolarHBondContact O-N 3.19Å; E106-T110 PolarHBondContact O-OG1 3.03Å
107E92.8Very high90.5Very high101 Ų10159.7 Ų59.747%0.47233%0.334SS..Hα-helixtrans-62.7-39.4177.4-70.2164.7145.800112.2L103 S104 K109 T110 Q111L103-E107 HydrophobicContact CB-CB 3.99Å; L103-E107 HydrophobicContact CD1-CB 4.46Å; L103-E107 HydrophobicContact CD2-CB 4.38Å; S104-E107 VanDerWaalsContact CB-OE2 3.26Å; S104-E107 WeakPolarHBondContact CB-OE2 3.28Å; S104-E107 PolarHBondContact N-OE2 3.46Å; S104-E107 PolarHBondContact O-N 2.99Å; S104-E107 VanDerWaalsContact OG-CG 3.32Å; S104-E107 WeakPolarHBondContact OG-CG 3.17Å; S104-E107 PolarHBondContact OG-OE2 3.42Å; E107-K109 VanDerWaalsContact C-N 3.31Å; E107-K109 PolarHBondContact O-N 2.94Å; E107-T110 PolarHBondContact O-N 2.95Å; E107-Q111 WeakPolarHBondContact O-CB 3.28Å; E107-Q111 PolarHBondContact O-N 3.14Å
108Q92.9Very high89.8Confident0 Ų065.9 Ų65.90%037%0.367CS..Hα-helixtrans-56.3-47.4174.1-73.6177.3-16.200111.3L100 L103 S104 E106 Q111 L112 L131L100-Q108 HydrophobicContact CD2-CB 4.36Å; L100-Q108 HydrophobicContact CD2-CG 4.33Å; L100-Q108 WeakPolarHBondContact O-CG 3.41Å; L100-Q108 PolarHBondContact O-NE2 3.41Å; L103-Q108 HydrophobicContact CB-CG 4.07Å; S104-Q108 VanDerWaalsContact O-CG 3.28Å; S104-Q108 WeakPolarHBondContact O-CG 3.4Å; S104-Q108 PolarHBondContact O-N 3.47Å; E106-Q108 VanDerWaalsContact C-N 3.34Å; E106-Q108 PolarHBondContact O-N 3.27Å; Q108-Q111 PolarHBondContact O-N 2.95Å; Q108-L112 WeakPolarHBondContact O-CB 3.34Å; Q108-L112 VanDerWaalsContact O-CG 3.24Å; Q108-L112 WeakPolarHBondContact O-CG 3.4Å; Q108-L112 PolarHBondContact O-N 3.14Å; Q108-L131 HydrophobicContact CB-CD2 3.51Å; Q108-L131 HydrophobicContact CG-CD2 4.4Å; Q108-L131 VanDerWaalsContact OE1-CD2 3.28Å
109K92.9Very high89.2Confident93 Ų9360.1 Ų60.140%0.40434%0.343SS..Hα-helixtrans-62.8-49.1179.8-177.4-179.9167.8-1780110.5T105 E106 E107 Q111 L112 E113 I127 L131T105-K109 PolarHBondContact O-N 2.86Å; E106-K109 PolarHBondContact O-N 3.43Å; E107-K109 VanDerWaalsContact C-N 3.31Å; E107-K109 PolarHBondContact O-N 2.94Å; K109-Q111 VanDerWaalsContact C-N 3.34Å; K109-Q111 PolarHBondContact O-N 3.37Å; K109-L112 PolarHBondContact O-N 2.88Å; K109-E113 WeakPolarHBondContact CE-OE1 3.27Å; K109-E113 HydrophobicContact CG-CG 4.48Å; K109-E113 IonicContact NZ-OE1 3.75Å; K109-E113 WeakPolarHBondContact O-CB 3.12Å; K109-E113 WeakPolarHBondContact O-CG 3.28Å; K109-E113 PolarHBondContact O-N 3.49Å; K109-I127 HydrophobicContact CG-CG2 4.32Å; K109-L131 HydrophobicContact CB-CD1 4.1Å; K109-L131 HydrophobicContact CG-CD1 4.45Å
110T92.7Very high88.4Confident89 Ų8963.9 Ų63.955%0.54636%0.364SS..Hα-helixtrans-61.1-41.3179.5-55.40000112.3E106 E107 E113 A114E106-T110 PolarHBondContact O-N 3.19Å; E106-T110 PolarHBondContact O-OG1 3.03Å; E107-T110 PolarHBondContact O-N 2.95Å; T110-E113 PolarHBondContact O-N 2.94Å; T110-A114 WeakPolarHBondContact O-CB 3.32Å; T110-A114 PolarHBondContact O-N 3.33Å
111Q92.3Very high87.8Confident62 Ų6267.5 Ų67.529%0.2938%0.378SS..Hα-helixtrans-65.3-43.7176.9179.9171.3-3800111.8L100 E107 Q108 K109 A114 I115L100-Q111 HydrophobicContact CD2-CB 4.34Å; L100-Q111 HydrophobicContact CD2-CG 4.27Å; E107-Q111 WeakPolarHBondContact O-CB 3.28Å; E107-Q111 PolarHBondContact O-N 3.14Å; Q108-Q111 PolarHBondContact O-N 2.95Å; K109-Q111 VanDerWaalsContact C-N 3.34Å; K109-Q111 PolarHBondContact O-N 3.37Å; Q111-A114 PolarHBondContact O-N 2.7Å; Q111-I115 HydrophobicContact CG-CD1 3.83Å; Q111-I115 HydrophobicContact CG-CG1 4.47Å; Q111-I115 VanDerWaalsContact O-CG1 3.27Å; Q111-I115 WeakPolarHBondContact O-CG1 3.26Å; Q111-I115 PolarHBondContact O-N 3.12Å
112L92.7Very high87.7Confident0 Ų071.7 Ų71.70%041%0.407CS..Hα-helixtrans-63.1-43176.6-72.8171000111.7I95 L100 Q108 K109 A114 I115 L116 I127 L130 L131I95-L112 HydrophobicContact CD1-CD2 4.04Å; I95-L112 HydrophobicContact CG2-CD2 3.91Å; L100-L112 HydrophobicContact CD1-CD2 3.86Å; L100-L112 HydrophobicContact CD1-CG 4.32Å; L100-L112 HydrophobicContact CD2-CG 4.3Å; Q108-L112 WeakPolarHBondContact O-CB 3.34Å; Q108-L112 VanDerWaalsContact O-CG 3.24Å; Q108-L112 WeakPolarHBondContact O-CG 3.4Å; Q108-L112 PolarHBondContact O-N 3.14Å; K109-L112 PolarHBondContact O-N 2.88Å; L112-A114 VanDerWaalsContact C-N 3.32Å; L112-A114 PolarHBondContact O-N 3.24Å; L112-I115 PolarHBondContact O-N 3.39Å; L112-L116 VanDerWaalsContact O-CB 3.24Å; L112-L116 WeakPolarHBondContact O-CB 3.4Å; L112-L116 VanDerWaalsContact O-CG 3.22Å; L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 2.86Å; L112-I127 HydrophobicContact CB-CG1 4.22Å; L112-I127 HydrophobicContact CB-CG2 4.41Å; L112-I127 HydrophobicContact CD1-CG2 4.13Å; L112-L130 HydrophobicContact CD1-CD2 3.8Å; L112-L130 HydrophobicContact CD1-CG 4.26Å; L112-L130 HydrophobicContact CD2-CD2 3.61Å; L112-L130 HydrophobicContact CG-CD2 4.38Å; L112-L131 HydrophobicContact CD1-CD2 4.17Å; L112-L131 HydrophobicContact CD1-CG 4.37Å
113E91.1Very high87.7Confident88 Ų8866.5 Ų66.541%0.41138%0.38SS..Hα-helixtrans-62.6-38.4174.6-73.2175.4171.900111.9K109 T110 L116 G117 I127K109-E113 WeakPolarHBondContact CE-OE1 3.27Å; K109-E113 HydrophobicContact CG-CG 4.48Å; K109-E113 IonicContact NZ-OE1 3.75Å; K109-E113 WeakPolarHBondContact O-CB 3.12Å; K109-E113 WeakPolarHBondContact O-CG 3.28Å; K109-E113 PolarHBondContact O-N 3.49Å; T110-E113 PolarHBondContact O-N 2.94Å; E113-L116 CarbonylContact O-C 3.6Å; E113-G117 VanDerWaalsContact O-CA 3.28Å; E113-G117 WeakPolarHBondContact O-CA 3.24Å; E113-G117 PolarHBondContact O-N 2.87Å; E113-I127 HydrophobicContact CG-CD1 3.89Å
114A90.7Very high87.6Confident77 Ų7772 Ų7264%0.63640%0.404SS*.Hα-helixtrans-66.6-43.1176.700000112.3T110 Q111 L112T110-A114 WeakPolarHBondContact O-CB 3.32Å; T110-A114 PolarHBondContact O-N 3.33Å; Q111-A114 PolarHBondContact O-N 2.7Å; L112-A114 VanDerWaalsContact C-N 3.32Å; L112-A114 PolarHBondContact O-N 3.24Å
115I89.4Confident87.6Confident50 Ų5072.6 Ų72.626%0.25641%0.413SS..Hα-helixtrans-66.6-41.3177.7-67.4167.3000110.7P93 I95 Q111 L112P93-I115 HydrophobicContact CB-CG2 3.51Å; P93-I115 HydrophobicContact CG-CG2 4.06Å; I95-I115 HydrophobicContact CG1-CG2 4.42Å; Q111-I115 HydrophobicContact CG-CD1 3.83Å; Q111-I115 HydrophobicContact CG-CG1 4.47Å; Q111-I115 VanDerWaalsContact O-CG1 3.27Å; Q111-I115 WeakPolarHBondContact O-CG1 3.26Å; Q111-I115 PolarHBondContact O-N 3.12Å; L112-I115 PolarHBondContact O-N 3.39Å
116L88Confident87.8Confident2 Ų270.6 Ų70.61%0.0140%0.4CS..Hα-helixtrans-911-176.4-60.1173.1000113.8F84 P93 L112 E113 N118 C119 T123 F126 I127F84-L116 HydrophobicContact CE2-CD2 3.87Å; F84-L116 HydrophobicContact CZ-CD2 4.33Å; P93-L116 HydrophobicContact CG-CD2 4.38Å; L112-L116 VanDerWaalsContact O-CB 3.24Å; L112-L116 WeakPolarHBondContact O-CB 3.4Å; L112-L116 VanDerWaalsContact O-CG 3.22Å; L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 2.86Å; E113-L116 CarbonylContact O-C 3.6Å; L116-N118 PolarHBondContact O-N 2.69Å; L116-N118 VanDerWaalsContact O-N 3.07Å; L116-C119 WeakPolarHBondContact O-CB 3.35Å; L116-C119 PolarHBondContact O-N 3.05Å; L116-T123 HydrophobicContact CB-CG2 3.93Å; L116-T123 HydrophobicContact CD1-CG2 4.15Å; L116-F126 HydrophobicContact CD1-CD1 3.67Å; L116-F126 HydrophobicContact CD1-CE1 3.79Å; L116-I127 HydrophobicContact CD1-CD1 4.1Å; L116-I127 HydrophobicContact CD1-CG1 3.83Å
117G79.6Confident88Confident55 Ų5564.5 Ų64.557%0.56737%0.372SS*.THydrogen-bonded Turntrans-62-20.1-174.400000114.4E113 C119E113-G117 VanDerWaalsContact O-CA 3.28Å; E113-G117 WeakPolarHBondContact O-CA 3.24Å; E113-G117 PolarHBondContact O-N 2.87Å; G117-C119 VanDerWaalsContact C-N 3.33Å
118N77.9Confident88Confident140 Ų14063.2 Ų63.275%0.74937%0.374SS*.THydrogen-bonded Turntrans-90.55176.5-63.1-10.3000113L116L116-N118 PolarHBondContact O-N 2.69Å; L116-N118 VanDerWaalsContact O-N 3.07Å
119C78.4Confident88.1Confident20 Ų2067.4 Ų67.414%0.13539%0.394CS..  trans-80.9132.1-179.7-168.30000111F84 L116 G117 R121 T123F84-C119 HydrophobicContact CE2-CB 4.32Å; F84-C119 HydrophobicContact CZ-CB 3.98Å; L116-C119 WeakPolarHBondContact O-CB 3.35Å; L116-C119 PolarHBondContact O-N 3.05Å; G117-C119 VanDerWaalsContact C-N 3.33Å; C119-R121 VanDerWaalsContact C-N 3.3Å; C119-T123 HydrophobicContact CB-CG2 3.8Å
120P72.6Confident88.2Confident109 Ų10963 Ų6371%0.70838%0.375SS*.SBendtrans-80.6-9.8175.532-34.8000113.5
121R80.9Confident88.3Confident77 Ų7759.6 Ų59.629%0.29135%0.353SS..SBendtrans-99.2155.7-177-69-175.6179.5-1721.5111E82 L83 D86 C119 T123E82-R121 PolarHBondContact O-NH1 3.08Å; L83-R121 HydrophobicContact CD2-CB 4.04Å; D86-R121 VanDerWaalsContact CG-NH2 3.31Å; D86-R121 IonicContact OD1-NH2 3.42Å; D86-R121 PolarHBondContact OD1-NH2 3.07Å; D86-R121 IonicContact OD2-CZ 3.42Å; D86-R121 IonicContact OD2-NE 3.38Å; D86-R121 PolarHBondContact OD2-NE 3.31Å; D86-R121 IonicContact OD2-NH2 2.68Å; D86-R121 PolarHBondContact OD2-NH2 3.26Å; C119-R121 VanDerWaalsContact C-N 3.3Å; R121-T123 PolarHBondContact O-N 3.03Å
122P85.4Confident88.4Confident115 Ų11559.4 Ų59.475%0.74736%0.358SS*.  trans-65.1118.7176.126.6-34.3000111.1
123T90.4Very high88.4Confident26 Ų2662 Ų6216%0.1637%0.37CS..  trans-99.5-11-176.3520000113.5L83 L116 C119 R121 A125 F126 I127L83-T123 HydrophobicContact CD1-CG2 4.37Å; L116-T123 HydrophobicContact CB-CG2 3.93Å; L116-T123 HydrophobicContact CD1-CG2 4.15Å; C119-T123 HydrophobicContact CB-CG2 3.8Å; R121-T123 PolarHBondContact O-N 3.03Å; T123-A125 VanDerWaalsContact C-N 3.33Å; T123-A125 PolarHBondContact O-N 3.23Å; T123-F126 PolarHBondContact O-N 2.98Å; T123-I127 VanDerWaalsContact O-CG1 3.3Å; T123-I127 WeakPolarHBondContact O-CG1 3.38Å; T123-I127 PolarHBondContact O-N 3.03Å
124E90.3Very high88.4Confident162 Ų16257.8 Ų57.876%0.75735%0.351SS*.Hα-helixtrans-57.7-42.4-174.3-63.3-174165.400113.2I127 S128E124-I127 PolarHBondContact O-N 3.09Å; E124-S128 WeakPolarHBondContact O-CB 3.45Å; E124-S128 PolarHBondContact O-N 3.36Å; E124-S128 PolarHBondContact O-OG 3.2Å
125A91.1Very high88.5Confident72 Ų7259.1 Ų59.160%0.59534%0.342SS*.Hα-helixtrans-61.3-50.1178.500000110.9T123 I127 S128 E129T123-A125 VanDerWaalsContact C-N 3.33Å; T123-A125 PolarHBondContact O-N 3.23Å; A125-I127 PolarHBondContact O-N 3.43Å; A125-S128 PolarHBondContact O-N 3.42Å; A125-S128 PolarHBondContact O-OG 3.16Å; A125-E129 PolarHBondContact O-N 3.03Å
126F92.3Very high88.5Confident8 Ų861.6 Ų61.64%0.03535%0.351CS..Hα-helixtrans-58.8-48.3177.2169.9-107.8000112.1W75 V76 Q79 V80 L83 I95 L116 T123 S128 E129 L130W75-F126 AromaticContact CH2-CD2 3.91Å; W75-F126 HydrophobicContact CH2-CD2 3.91Å; W75-F126 AromaticContact CH2-CE2 3.86Å; W75-F126 HydrophobicContact CH2-CE2 3.86Å; W75-F126 HydrophobicContact CZ2-CD2 4.4Å; W75-F126 HydrophobicContact CZ3-CD2 4.47Å; W75-F126 AromaticContact CZ3-CE2 3.95Å; W75-F126 HydrophobicContact CZ3-CE2 3.95Å; V76-F126 HydrophobicContact CG1-CZ 4.22Å; Q79-F126 HydrophobicContact CB-CD2 3.64Å; Q79-F126 HydrophobicContact CB-CE2 3.5Å; Q79-F126 HydrophobicContact CB-CZ 4.49Å; Q79-F126 HydrophobicContact CG-CD2 4.11Å; Q79-F126 HydrophobicContact CG-CE2 4.16Å; V80-F126 HydrophobicContact CG2-CE1 4.26Å; V80-F126 HydrophobicContact CG2-CZ 3.92Å; L83-F126 HydrophobicContact CD1-CB 4.23Å; L83-F126 HydrophobicContact CD1-CD1 4.05Å; L83-F126 HydrophobicContact CD1-CG 4.09Å; I95-F126 HydrophobicContact CD1-CE1 3.87Å; I95-F126 HydrophobicContact CD1-CZ 3.95Å; L116-F126 HydrophobicContact CD1-CD1 3.67Å; L116-F126 HydrophobicContact CD1-CE1 3.79Å; T123-F126 PolarHBondContact O-N 2.98Å; F126-S128 VanDerWaalsContact C-N 3.34Å; F126-S128 PolarHBondContact O-N 3.38Å; F126-E129 PolarHBondContact O-N 3.11Å; F126-L130 HydrophobicContact CE1-CD2 4.13Å; F126-L130 HydrophobicContact CZ-CD2 3.87Å; F126-L130 WeakPolarHBondContact O-CB 3.42Å; F126-L130 PolarHBondContact O-N 3.19Å
127I93.1Very high88.5Confident8 Ų862 Ų624%0.04135%0.353CS..Hα-helixtrans-59.7-46.3179.1-65.7166.9000110.2K109 L112 E113 L116 T123 E124 A125 E129 L130 L131K109-I127 HydrophobicContact CG-CG2 4.32Å; L112-I127 HydrophobicContact CB-CG1 4.22Å; L112-I127 HydrophobicContact CB-CG2 4.41Å; L112-I127 HydrophobicContact CD1-CG2 4.13Å; E113-I127 HydrophobicContact CG-CD1 3.89Å; L116-I127 HydrophobicContact CD1-CD1 4.1Å; L116-I127 HydrophobicContact CD1-CG1 3.83Å; T123-I127 VanDerWaalsContact O-CG1 3.3Å; T123-I127 WeakPolarHBondContact O-CG1 3.38Å; T123-I127 PolarHBondContact O-N 3.03Å; E124-I127 PolarHBondContact O-N 3.09Å; A125-I127 PolarHBondContact O-N 3.43Å; I127-E129 VanDerWaalsContact C-N 3.33Å; I127-E129 PolarHBondContact O-N 2.89Å; I127-L130 PolarHBondContact O-N 3.3Å; I127-L131 HydrophobicContact CG2-CD1 3.91Å; I127-L131 HydrophobicContact CG2-CG 4.34Å; I127-L131 WeakPolarHBondContact O-CB 3.36Å; I127-L131 WeakPolarHBondContact O-CG 3.36Å; I127-L131 PolarHBondContact O-N 3.31Å
128S93.9Very high88.9Confident75 Ų7562 Ų6252%0.52434%0.336SS..Hα-helixtrans-62.6-39.9-179.575.70000112.6E124 A125 F126 S132E124-S128 WeakPolarHBondContact O-CB 3.45Å; E124-S128 PolarHBondContact O-N 3.36Å; E124-S128 PolarHBondContact O-OG 3.2Å; A125-S128 PolarHBondContact O-N 3.42Å; A125-S128 PolarHBondContact O-OG 3.16Å; F126-S128 VanDerWaalsContact C-N 3.34Å; F126-S128 PolarHBondContact O-N 3.38Å; S128-S132 WeakPolarHBondContact O-CB 3.42Å; S128-S132 PolarHBondContact O-N 3.31Å; S128-S132 VanDerWaalsContact O-N 3.09Å
129E94.9Very high89.1Confident88 Ų8865 Ų6541%0.41134%0.337SS..Hα-helixtrans-69.9-46.7177.9-175.6162.2-161.500111.3W75 A125 F126 I127 L131 S132 Q133W75-E129 HydrophobicContact CH2-CB 4.05Å; W75-E129 HydrophobicContact CH2-CG 3.75Å; W75-E129 HydrophobicContact CZ2-CB 4.31Å; W75-E129 HydrophobicContact CZ2-CG 3.75Å; A125-E129 PolarHBondContact O-N 3.03Å; F126-E129 PolarHBondContact O-N 3.11Å; I127-E129 VanDerWaalsContact C-N 3.33Å; I127-E129 PolarHBondContact O-N 2.89Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 3.32Å; E129-S132 WeakPolarHBondContact O-CA 3.49Å; E129-S132 VanDerWaalsContact O-CB 3.31Å; E129-S132 WeakPolarHBondContact O-CB 3.38Å; E129-S132 PolarHBondContact O-N 3.5Å; E129-Q133 HydrophobicContact CG-CG 4.29Å; E129-Q133 VanDerWaalsContact O-CG 3.29Å; E129-Q133 WeakPolarHBondContact O-CG 3.39Å; E129-Q133 PolarHBondContact O-N 3.47Å
130L94.4Very high89.1Confident0 Ų068.4 Ų68.40%035%0.354CS..Hα-helixtrans-57.6-45.7176.8177.553.6000111.3M72 W75 V76 I95 L97 L100 L112 F126 I127 S132 Q133 L134M72-L130 HydrophobicContact SD-CD1 4.49Å; W75-L130 HydrophobicContact CH2-CB 4.33Å; W75-L130 HydrophobicContact CZ3-CB 4.1Å; W75-L130 HydrophobicContact CZ3-CD1 4.11Å; V76-L130 HydrophobicContact CG2-CD1 3.66Å; V76-L130 HydrophobicContact CG2-CD2 4.38Å; I95-L130 HydrophobicContact CG2-CD2 4.47Å; L97-L130 HydrophobicContact CD2-CD1 4.09Å; L100-L130 HydrophobicContact CD1-CD2 4.5Å; L112-L130 HydrophobicContact CD1-CD2 3.8Å; L112-L130 HydrophobicContact CD1-CG 4.26Å; L112-L130 HydrophobicContact CD2-CD2 3.61Å; L112-L130 HydrophobicContact CG-CD2 4.38Å; F126-L130 HydrophobicContact CE1-CD2 4.13Å; F126-L130 HydrophobicContact CZ-CD2 3.87Å; F126-L130 WeakPolarHBondContact O-CB 3.42Å; F126-L130 PolarHBondContact O-N 3.19Å; I127-L130 PolarHBondContact O-N 3.3Å; L130-S132 VanDerWaalsContact C-N 3.31Å; L130-S132 PolarHBondContact O-N 3.1Å; L130-Q133 PolarHBondContact O-N 3.41Å; L130-L134 HydrophobicContact CD1-CD1 4.21Å; L130-L134 HydrophobicContact CD1-CG 4.06Å; L130-L134 HydrophobicContact CG-CD1 4.17Å; L130-L134 HydrophobicContact CG-CG 4.47Å; L130-L134 WeakPolarHBondContact O-CB 3.34Å; L130-L134 WeakPolarHBondContact O-CG 3.27Å; L130-L134 PolarHBondContact O-N 2.89Å
131L94.4Very high89.3Confident18 Ų1865.4 Ų65.49%0.09434%0.335CS..Hα-helixtrans-61.5-38.2175.7-68.8174.7000112.5Q108 K109 L112 I127 E129 K135Q108-L131 HydrophobicContact CB-CD2 3.51Å; Q108-L131 HydrophobicContact CG-CD2 4.4Å; Q108-L131 VanDerWaalsContact OE1-CD2 3.28Å; K109-L131 HydrophobicContact CB-CD1 4.1Å; K109-L131 HydrophobicContact CG-CD1 4.45Å; L112-L131 HydrophobicContact CD1-CD2 4.17Å; L112-L131 HydrophobicContact CD1-CG 4.37Å; I127-L131 HydrophobicContact CG2-CD1 3.91Å; I127-L131 HydrophobicContact CG2-CG 4.34Å; I127-L131 WeakPolarHBondContact O-CB 3.36Å; I127-L131 WeakPolarHBondContact O-CG 3.36Å; I127-L131 PolarHBondContact O-N 3.31Å; E129-L131 VanDerWaalsContact C-N 3.33Å; E129-L131 PolarHBondContact O-N 3.32Å; L131-K135 VanDerWaalsContact O-CG 3.27Å; L131-K135 WeakPolarHBondContact O-CG 3.41Å; L131-K135 PolarHBondContact O-N 3.05Å; L131-K135 VanDerWaalsContact O-N 3.1Å
132S93.6Very high88.9Confident57 Ų5770.5 Ų70.540%0.39936%0.355SS..Hα-helixtrans-64-43.3174.8-175.80000111.6S128 E129 L130 K135 K136S128-S132 WeakPolarHBondContact O-CB 3.42Å; S128-S132 PolarHBondContact O-N 3.31Å; S128-S132 VanDerWaalsContact O-N 3.09Å; E129-S132 WeakPolarHBondContact O-CA 3.49Å; E129-S132 VanDerWaalsContact O-CB 3.31Å; E129-S132 WeakPolarHBondContact O-CB 3.38Å; E129-S132 PolarHBondContact O-N 3.5Å; L130-S132 VanDerWaalsContact C-N 3.31Å; L130-S132 PolarHBondContact O-N 3.1Å; S132-K135 WeakPolarHBondContact O-CB 3.2Å; S132-K135 PolarHBondContact O-N 3.02Å; S132-K136 WeakPolarHBondContact O-CG 3.44Å; S132-K136 PolarHBondContact O-N 2.7Å; S132-K136 VanDerWaalsContact O-N 3.14Å
133Q93Very high87.7Confident54 Ų5471 Ų7125%0.25236%0.357SS..Hα-helixtrans-68.1-42.8179.3-65.8-68.811.300112.1M72 E129 L130 K135 K136 L137M72-Q133 HydrophobicContact CE-CB 3.48Å; M72-Q133 VanDerWaalsContact CE-CB 3.48Å; M72-Q133 HydrophobicContact SD-CB 4.31Å; E129-Q133 HydrophobicContact CG-CG 4.29Å; E129-Q133 VanDerWaalsContact O-CG 3.29Å; E129-Q133 WeakPolarHBondContact O-CG 3.39Å; E129-Q133 PolarHBondContact O-N 3.47Å; L130-Q133 PolarHBondContact O-N 3.41Å; Q133-K135 VanDerWaalsContact C-N 3.3Å; Q133-K135 PolarHBondContact O-N 3.33Å; Q133-K136 WeakPolarHBondContact O-CA 3.39Å; Q133-K136 WeakPolarHBondContact O-CB 3.4Å; Q133-K136 PolarHBondContact O-N 3.11Å; Q133-L137 PolarHBondContact O-N 3.07Å
134L92.3Very high86.1Confident0 Ų079.2 Ų79.20%039%0.394CS..Hα-helixtrans-58.4-41.4173.2-71.6173000111.6M72 L97 L100 M101 L130 K136 L137 R138M72-L134 HydrophobicContact SD-CD2 4.05Å; L97-L134 HydrophobicContact CD2-CD2 4.43Å; L100-L134 HydrophobicContact CB-CD1 4.11Å; L100-L134 HydrophobicContact CD1-CD1 4.22Å; M101-L134 HydrophobicContact CG-CD2 3.97Å; M101-L134 HydrophobicContact SD-CB 4.37Å; M101-L134 HydrophobicContact SD-CD2 3.89Å; L130-L134 HydrophobicContact CD1-CD1 4.21Å; L130-L134 HydrophobicContact CD1-CG 4.06Å; L130-L134 HydrophobicContact CG-CD1 4.17Å; L130-L134 HydrophobicContact CG-CG 4.47Å; L130-L134 WeakPolarHBondContact O-CB 3.34Å; L130-L134 WeakPolarHBondContact O-CG 3.27Å; L130-L134 PolarHBondContact O-N 2.89Å; L134-K136 VanDerWaalsContact C-N 3.29Å; L134-K136 PolarHBondContact O-N 3.04Å; L134-L137 PolarHBondContact O-N 3.24Å; L134-R138 WeakPolarHBondContact O-CG 3.48Å; L134-R138 PolarHBondContact O-N 2.88Å
135K91.3Very high84.2Confident105 Ų10584.8 Ų84.846%0.45742%0.416SS..Hα-helixtrans-60.7-37.1173.6-74.6171-175.7176.30112.3L131 S132 Q133 R139L131-K135 VanDerWaalsContact O-CG 3.27Å; L131-K135 WeakPolarHBondContact O-CG 3.41Å; L131-K135 PolarHBondContact O-N 3.05Å; L131-K135 VanDerWaalsContact O-N 3.1Å; S132-K135 WeakPolarHBondContact O-CB 3.2Å; S132-K135 PolarHBondContact O-N 3.02Å; Q133-K135 VanDerWaalsContact C-N 3.3Å; Q133-K135 PolarHBondContact O-N 3.33Å; K135-R139 WeakPolarHBondContact O-CG 3.47Å; K135-R139 PolarHBondContact O-N 3.49Å
136K90.3Very high83.9Confident103 Ų10385.4 Ų85.445%0.44841%0.407SS..Hα-helixtrans-68.7-45.2175-66173-165.7167.30111.1S132 Q133 L134 R138 R139 L140S132-K136 WeakPolarHBondContact O-CG 3.44Å; S132-K136 PolarHBondContact O-N 2.7Å; S132-K136 VanDerWaalsContact O-N 3.14Å; Q133-K136 WeakPolarHBondContact O-CA 3.39Å; Q133-K136 WeakPolarHBondContact O-CB 3.4Å; Q133-K136 PolarHBondContact O-N 3.11Å; L134-K136 VanDerWaalsContact C-N 3.29Å; L134-K136 PolarHBondContact O-N 3.04Å; K136-R138 PolarHBondContact O-N 3.04Å; K136-R139 PolarHBondContact O-N 2.81Å; K136-R139 VanDerWaalsContact O-N 3.13Å; K136-L140 WeakPolarHBondContact O-CG 3.47Å; K136-L140 PolarHBondContact O-N 2.95Å
137L88.7Confident83.5Confident10 Ų1089.5 Ų89.55%0.05243%0.426CS..Hα-helixtrans-59.2-44.2176.3-77.7-172.2000112.5R68 W69 M72 Q133 L134 R139 L140 S141R68-L137 HydrophobicContact CB-CD2 4.03Å; W69-L137 HydrophobicContact CD2-CD1 4.05Å; W69-L137 HydrophobicContact CE3-CD1 4.27Å; M72-L137 HydrophobicContact CB-CD1 4.39Å; M72-L137 HydrophobicContact CE-CD1 3.22Å; M72-L137 HydrophobicContact CE-CD2 4.15Å; M72-L137 HydrophobicContact CE-CG 3.35Å; M72-L137 HydrophobicContact CG-CD1 4.45Å; M72-L137 HydrophobicContact SD-CD1 3.27Å; M72-L137 WeakPolarHBondContact SD-CD1 3.41Å; M72-L137 HydrophobicContact SD-CG 4.08Å; Q133-L137 PolarHBondContact O-N 3.07Å; L134-L137 PolarHBondContact O-N 3.24Å; L137-R139 PolarHBondContact O-N 3.33Å; L137-L140 PolarHBondContact O-N 2.83Å; L137-L140 VanDerWaalsContact O-N 3.11Å; L137-S141 PolarHBondContact O-N 2.84Å; L137-S141 PolarHBondContact O-OG 3.26Å
138R86.4Confident82.9Confident55 Ų5594 Ų9421%0.20845%0.448CS..Hα-helixtrans-53.4-34.8174.8-68.7-105.9171.977.7-20.9113.3L100 M101 L103 L134 K136 S141L100-R138 PolarHBondContact O-NH2 3.27Å; M101-R138 HydrophobicContact CE-CB 4.23Å; M101-R138 HydrophobicContact CE-CG 3.48Å; M101-R138 VanDerWaalsContact CE-CG 3.48Å; M101-R138 VanDerWaalsContact O-CZ 3.3Å; M101-R138 PolarHBondContact O-NE 2.94Å; M101-R138 PolarHBondContact O-NH2 2.8Å; M101-R138 HydrophobicContact SD-CG 3.6Å; L103-R138 PolarHBondContact O-NH2 3.15Å; L134-R138 WeakPolarHBondContact O-CG 3.48Å; L134-R138 PolarHBondContact O-N 2.88Å; K136-R138 PolarHBondContact O-N 3.04Å; R138-S141 PolarHBondContact O-OG 3.45Å; R138-S141 VanDerWaalsContact O-OG 3.12Å
139R84Confident82.3Confident202 Ų20295.1 Ų95.176%0.76244%0.443SS*.Hα-helixtrans-78.1-38.5-179.3-70.9174.864.9179.60.6111.4K135 K136 L137K135-R139 WeakPolarHBondContact O-CG 3.47Å; K135-R139 PolarHBondContact O-N 3.49Å; K136-R139 PolarHBondContact O-N 2.81Å; K136-R139 VanDerWaalsContact O-N 3.13Å; L137-R139 PolarHBondContact O-N 3.33Å
140L78.3Confident81.5Confident93 Ų9395.6 Ų95.649%0.48745%0.445SS..Hα-helixtrans-78.8-21.3-177.9-62.7174.2000112.9K136 L137 R142K136-L140 WeakPolarHBondContact O-CG 3.47Å; K136-L140 PolarHBondContact O-N 2.95Å; L137-L140 PolarHBondContact O-N 2.83Å; L137-L140 VanDerWaalsContact O-N 3.11Å; L140-R142 VanDerWaalsContact C-N 3.33Å
141S75.4Confident80.6Confident46 Ų46101.9 Ų101.932%0.32248%0.475SS..THydrogen-bonded Turntrans-78.1-15.5176.3630000114.1Q65 L137 R138Q65-S141 VanDerWaalsContact NE2-CA 3.27Å; L137-S141 PolarHBondContact O-N 2.84Å; L137-S141 PolarHBondContact O-OG 3.26Å; R138-S141 PolarHBondContact O-OG 3.45Å; R138-S141 VanDerWaalsContact O-OG 3.12Å
142R72.1Confident79.6Confident184 Ų184107.9 Ų107.969%0.69450%0.502SS*.SBendtrans-75.6124.9177.7-69.8-179.8-174.5-125.6-0.9109.2L140 Q144L140-R142 VanDerWaalsContact C-N 3.33Å; R142-Q144 PolarHBondContact O-N 2.67Å
143P60.4Low78.6Confident124 Ų124111.8 Ų111.881%0.80551%0.51SS*.PPolyproline II helixtrans-58.8118.4173.923-30.7000108.6K145P143-K145 PolarHBondContact O-N 3.08Å
144Q58.4Low77.4Confident199 Ų199116.7 Ų116.793%0.9353%0.531SS*.PPolyproline II helixtrans-65.5124.7169.5-68.2-162.7-4500107.4R142R142-Q144 PolarHBondContact O-N 2.67Å
145K50.6Low76Confident279 Ų279127.3 Ų127.3100%1.21358%0.58SS**  trans-86.50-171.9-153.9170.9-174.7173.60111P143P143-K145 PolarHBondContact O-N 3.08Å

Retrieved 145 of 145 residues in 53.6 ms (Link to these results)