A0A087WSN9_MOUSE Loading...

Lysine (K)-specific methyltransferase 2E

AlphaFold DB , UniProt , Accession A0A087WSN9, Species MOUSE (Mus musculus, Mouse), Gene Kmt2e, Length 245 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
1E42.6Very low39.1Very low239 Ų239162.4 Ų162.4100%1.11782%0.817SS**  0129.30-77.8171.3103.200107.3
2V35.2Very low39.7Very low131 Ų131156.9 Ų156.979%0.79482%0.816SS**  cis-149.4111.945167.60000106.1
3V41.1Very low40.5Very low117 Ų117156.5 Ų156.571%0.70981%0.813SS**  49110.798.5-175.70000114.8
4Q40.6Very low41.2Very low194 Ų194158.7 Ų158.791%0.90781%0.813SS**  -161.6110.8125.2-111.117613.900112.5
5E40.1Very low41.4Very low149 Ų149157.1 Ų157.170%0.69682%0.817SS**  trans-66.1141.5159.1169.5179-176.700109.6
6Q38.3Very low41.5Very low157 Ų157152.8 Ų152.873%0.73481%0.811SS**  144.3145.4100-130.1168.946.600104.9
7V32.8Very low42.1Very low128 Ų128149.5 Ų149.578%0.77681%0.811SS**  -173.7140.265170.90000109.3
8K43.4Very low42.5Very low191 Ų191146.1 Ų146.183%0.8381%0.806SS**  trans-47.6137.2163.1172.2-173.5-179-1750115.9
9E36.1Very low43.3Very low183 Ų183148.3 Ų148.386%0.85581%0.807SS**  trans-161.8132.7133-142.6172.1149.900113.6
10E44.4Very low43.7Very low174 Ų174147.1 Ų147.181%0.81380%0.804SS**  trans-93.4131.7175.8175.9-168.6148.500108.4
11T35.1Very low44.1Very low123 Ų123146.8 Ų146.876%0.75580%0.801SS**  trans-151.211715660000110.4I13T11-I13 PolarHBondContact O-N 3.38Å
12A47.1Very low44.8Very low97 Ų97146.7 Ų146.780%0.80279%0.791SS**  trans-64.6120.1177.400000111.6
13I49.5Very low45.8Very low152 Ų152146.3 Ų146.378%0.77979%0.789SS**  trans-140.2113162.1-52.2177.4000108T11T11-I13 PolarHBondContact O-N 3.38Å
14K51Low46.5Very low187 Ų187149.6 Ų149.681%0.81379%0.794SS**  trans23.7123.7160.9-74.9171.5173.1170.70117.2A16K14-A16 PolarHBondContact O-N 3.17Å
15P44.2Very low47.2Very low134 Ų134148.1 Ų148.187%0.8779%0.787SS**  trans-64.9105.3157.829.1-30.1000107.4A17P15-A17 PolarHBondContact O-N 3.06Å; P15-A17 VanDerWaalsContact O-N 3.15Å
16A43.3Very low47.9Very low88 Ų88151.8 Ų151.873%0.72779%0.794SS**  trans-49.6124164.100000106.9K14 A18K14-A16 PolarHBondContact O-N 3.17Å; A16-A18 VanDerWaalsContact C-N 3.31Å; A16-A18 PolarHBondContact O-N 3.23Å
17A50.2Low49Very low97 Ų97152.5 Ų152.580%0.80280%0.795SS**  trans-54.9100.8173.800000107.4P15 K19P15-A17 PolarHBondContact O-N 3.06Å; P15-A17 VanDerWaalsContact O-N 3.15Å; A17-K19 PolarHBondContact O-N 3.11Å
18A51Low50Low88 Ų88151.1 Ų151.173%0.72779%0.791SS**  trans-57.9113.5-179.300000106.8A16 V20A16-A18 VanDerWaalsContact C-N 3.31Å; A16-A18 PolarHBondContact O-N 3.23Å; A18-V20 PolarHBondContact O-N 2.98Å
19K57.4Low50.4Low189 Ų189148.7 Ų148.782%0.82278%0.781SS**  trans-44.8107.3175.9-71.6-178.9174.9178.10108.2A17 N21A17-K19 PolarHBondContact O-N 3.11Å; K19-N21 VanDerWaalsContact C-N 3.26Å; K19-N21 PolarHBondContact O-N 3Å
20V51.2Low51.5Low124 Ų124145.6 Ų145.675%0.75278%0.78SS**  trans-65.397168.1170.10000105.7A18 R22A18-V20 PolarHBondContact O-N 2.98Å; V20-R22 PolarHBondContact O-N 2.89Å
21N52.2Low52.3Low140 Ų140146.7 Ų146.775%0.74978%0.776SS**  trans-59.191.8165.6-78.1-63.1000107.5K19 T23K19-N21 VanDerWaalsContact C-N 3.26Å; K19-N21 PolarHBondContact O-N 3Å; N21-T23 PolarHBondContact O-N 3.31Å
22R56.3Low53.3Low237 Ų237146.1 Ų146.189%0.89478%0.777SS**  trans-80.658.8-178.5-150.5179.1-164.1142.80.1109.4V20V20-R22 PolarHBondContact O-N 2.89Å
23T55.8Low54.4Low124 Ų124148 Ų14876%0.76176%0.764SS**  trans-131.228.3176.344.80000112.8N21N21-T23 PolarHBondContact O-N 3.31Å
24K55.9Low55.9Low186 Ų186145.2 Ų145.281%0.80975%0.754SS**SBendtrans-130.7109155.4-66.3-177-178.4178.20106.8R26K24-R26 PolarHBondContact O-N 3.16Å
25Q56.2Low57.1Low163 Ų163143.2 Ų143.276%0.76275%0.747SS**  trans-5199.4155.2-86.6-161-11.900106.3K27Q25-K27 PolarHBondContact O-N 3.45Å; Q25-K27 VanDerWaalsContact OE1-CE 3.26Å
26R54.9Low58.9Low226 Ų226141.4 Ų141.485%0.85373%0.729SS**  trans-67.182.6160.6-84.7176.378.5-155.36.8105K24 S28K24-R26 PolarHBondContact O-N 3.16Å; R26-S28 PolarHBondContact O-N 3.43Å
27K61Low60.9Low171 Ų171137.8 Ų137.874%0.74370%0.701SS**  trans-6379153.4-76.5173.7173.6177.70105.7Q25 F29Q25-K27 PolarHBondContact O-N 3.45Å; Q25-K27 VanDerWaalsContact OE1-CE 3.26Å; K27-F29 PolarHBondContact O-N 2.88Å
28S54.4Low62.4Low99 Ų99137.8 Ų137.869%0.69268%0.684SS**  trans-72.263.9157.456.20000107.4R26 S30R26-S28 PolarHBondContact O-N 3.43Å; S28-S30 PolarHBondContact O-N 3.01Å
29F50.3Low63.9Low140 Ų140138.9 Ų138.961%0.61467%0.674SS**  trans-76.972.9158.7-153.1-104.4000105.5K27 R31K27-F29 PolarHBondContact O-N 2.88Å; F29-R31 HydrophobicContact CD1-CB 3.3Å; F29-R31 HydrophobicContact CD2-CB 4.33Å; F29-R31 HydrophobicContact CE1-CB 3.2Å; F29-R31 HydrophobicContact CE1-CG 4.23Å; F29-R31 HydrophobicContact CE2-CB 4.25Å; F29-R31 HydrophobicContact CG-CB 3.9Å; F29-R31 HydrophobicContact CZ-CB 3.72Å; F29-R31 HydrophobicContact CZ-CG 4.29Å; F29-R31 PolarHBondContact O-N 3.38Å
30S60Low65Low119 Ų119137.7 Ų137.783%0.83266%0.664SS**THydrogen-bonded Turntrans-68.162.6164.7173.70000108.4S28S28-S30 PolarHBondContact O-N 3.01Å
31R60.6Low66.5Low197 Ų197139.5 Ų139.574%0.74366%0.658SS**THydrogen-bonded Turntrans-144.37.1-171.2-99.1-178.3156.6-148-6.4114.4F29F29-R31 HydrophobicContact CD1-CB 3.3Å; F29-R31 HydrophobicContact CD2-CB 4.33Å; F29-R31 HydrophobicContact CE1-CB 3.2Å; F29-R31 HydrophobicContact CE1-CG 4.23Å; F29-R31 HydrophobicContact CE2-CB 4.25Å; F29-R31 HydrophobicContact CG-CB 3.9Å; F29-R31 HydrophobicContact CZ-CB 3.72Å; F29-R31 HydrophobicContact CZ-CG 4.29Å; F29-R31 PolarHBondContact O-N 3.38Å
32S56.4Low67.9Low111 Ų111140.1 Ų140.178%0.77665%0.649SS**  trans-131.672165-69.50000110.1
33R71.3Confident69Low136 Ų136135.9 Ų135.951%0.51364%0.64SS.*  trans-91.5117.2162.7-160.7161.3-167.5-103.5-11.5107.2G37 R41R33-G37 PolarHBondContact NH1-O 2.72Å; R33-G37 PolarHBondContact NH2-O 3.38Å; R33-R41 VanDerWaalsContact NH1-CD 3.25Å
34T80.6Confident70Confident94 Ų94139 Ų13958%0.57764%0.638SS**  trans-56.3146.3179.555.10000110.4I36 G37 Q38T34-I36 PolarHBondContact O-N 3.35Å; T34-I36 VanDerWaalsContact O-N 3.11Å; T34-I36 VanDerWaalsContact OG1-CG2 3.23Å; T34-I36 WeakPolarHBondContact OG1-CG2 3.28Å; T34-G37 WeakPolarHBondContact O-CA 3.31Å; T34-G37 PolarHBondContact O-N 3.38Å; T34-Q38 PolarHBondContact O-N 3.19Å
35H76.6Confident70.6Confident144 Ų144134.2 Ų134.267%0.66762%0.624SS**Hα-helixtrans-46.8-41.4176.2178.7-100.3000111.9G37 Q38 Q39H35-G37 PolarHBondContact O-N 3.19Å; H35-Q38 PolarHBondContact O-N 3.03Å; H35-Q39 PolarHBondContact O-N 3.02Å
36I81.3Confident70.9Confident96 Ų96130.9 Ų130.949%0.49261%0.614SS.*Hα-helixtrans-63-38.1176.8-167.866.9000113.5T34 Q38 Q39 R40T34-I36 PolarHBondContact O-N 3.35Å; T34-I36 VanDerWaalsContact O-N 3.11Å; T34-I36 VanDerWaalsContact OG1-CG2 3.23Å; T34-I36 WeakPolarHBondContact OG1-CG2 3.28Å; I36-Q38 VanDerWaalsContact C-N 3.32Å; I36-Q38 PolarHBondContact O-N 3.46Å; I36-Q39 PolarHBondContact O-N 2.99Å; I36-R40 WeakPolarHBondContact O-CG 3.37Å; I36-R40 PolarHBondContact O-N 3.14Å
37G84.4Confident71.2Confident13 Ų13123.8 Ų123.813%0.13460%0.6CS.*Hα-helixtrans-68.5-33.3176.600000112.3R33 T34 H35 R41R33-G37 PolarHBondContact NH1-O 2.72Å; R33-G37 PolarHBondContact NH2-O 3.38Å; T34-G37 WeakPolarHBondContact O-CA 3.31Å; T34-G37 PolarHBondContact O-N 3.38Å; H35-G37 PolarHBondContact O-N 3.19Å; G37-R41 PolarHBondContact O-N 3.37Å
38Q82.9Confident71.2Confident96 Ų96123.2 Ų123.245%0.44960%0.601SS.*Hα-helixtrans-71.3-44.5175.8-162.6166.853.200111.3T34 H35 I36 R40 R41 R42T34-Q38 PolarHBondContact O-N 3.19Å; H35-Q38 PolarHBondContact O-N 3.03Å; I36-Q38 VanDerWaalsContact C-N 3.32Å; I36-Q38 PolarHBondContact O-N 3.46Å; Q38-R40 PolarHBondContact O-N 3.09Å; Q38-R41 PolarHBondContact O-N 3.42Å; Q38-R41 VanDerWaalsContact O-N 3.12Å; Q38-R42 PolarHBondContact O-N 3.14Å
39Q81.4Confident71.4Confident111 Ų111123 Ų12352%0.51960%0.599SS.*Hα-helixtrans-59.9-43.3175.8-166.1178.2-6.700112.2H35 I36 R41 R42 H43H35-Q39 PolarHBondContact O-N 3.02Å; I36-Q39 PolarHBondContact O-N 2.99Å; Q39-R41 VanDerWaalsContact C-N 3.31Å; Q39-R41 PolarHBondContact O-N 3.47Å; Q39-R42 PolarHBondContact O-N 3.46Å; Q39-H43 PolarHBondContact O-N 2.7Å
40R81.3Confident71.8Confident165 Ų165121.2 Ų121.262%0.62360%0.603SS**Hα-helixtrans-61.3-34.1174.4-76.6-176.2177.7-86.73.8113.6I36 Q38 R44I36-R40 WeakPolarHBondContact O-CG 3.37Å; I36-R40 PolarHBondContact O-N 3.14Å; Q38-R40 PolarHBondContact O-N 3.09Å; R40-R44 WeakPolarHBondContact O-CG 3.26Å; R40-R44 PolarHBondContact O-N 3.38Å
41R82.6Confident71.8Confident161 Ų161122.7 Ų122.761%0.60860%0.602SS**Hα-helixtrans-72.5-44.9175-94.1-161.1-165.6-151.72.4111.8R33 G37 Q38 Q39 H43 R44 T45R33-R41 VanDerWaalsContact NH1-CD 3.25Å; G37-R41 PolarHBondContact O-N 3.37Å; Q38-R41 PolarHBondContact O-N 3.42Å; Q38-R41 VanDerWaalsContact O-N 3.12Å; Q39-R41 VanDerWaalsContact C-N 3.31Å; Q39-R41 PolarHBondContact O-N 3.47Å; R41-H43 VanDerWaalsContact C-N 3.32Å; R41-H43 PolarHBondContact O-N 2.69Å; R41-R44 PolarHBondContact O-N 3.19Å; R41-R44 VanDerWaalsContact O-N 3.1Å; R41-T45 PolarHBondContact O-N 3.29Å; R41-T45 PolarHBondContact O-OG1 2.8Å
42R82Confident71.7Confident153 Ų153120.2 Ų120.258%0.57760%0.602SS**Hα-helixtrans-53.1-54174.1-69-179.2-176.3169.31.9109.1Q38 Q39 R44 T45 V46Q38-R42 PolarHBondContact O-N 3.14Å; Q39-R42 PolarHBondContact O-N 3.46Å; R42-R44 PolarHBondContact O-N 2.86Å; R42-R44 VanDerWaalsContact O-N 3.11Å; R42-T45 PolarHBondContact O-N 3.44Å; R42-T45 PolarHBondContact O-OG1 2.98Å; R42-T45 VanDerWaalsContact O-OG1 3.11Å; R42-V46 VanDerWaalsContact C-CG2 3.45Å; R42-V46 HydrophobicContact CB-CG2 4.32Å; R42-V46 WeakPolarHBondContact O-CG2 3.48Å; R42-V46 PolarHBondContact O-N 3.44Å
43H78.3Confident71.5Confident149 Ų149120 Ų12069%0.6960%0.598SS**Hα-helixtrans-57.1-32.7179.4-162.1-72.3000114.3Q39 R41Q39-H43 PolarHBondContact O-N 2.7Å; R41-H43 VanDerWaalsContact C-N 3.32Å; R41-H43 PolarHBondContact O-N 2.69Å
44R77.1Confident70.4Confident190 Ų190119.2 Ų119.272%0.71761%0.611SS**Hα-helixtrans-74.2-34.9174.1-75179.9-177.3175.3-0.5113.1R40 R41 R42R40-R44 WeakPolarHBondContact O-CG 3.26Å; R40-R44 PolarHBondContact O-N 3.38Å; R41-R44 PolarHBondContact O-N 3.19Å; R41-R44 VanDerWaalsContact O-N 3.1Å; R42-R44 PolarHBondContact O-N 2.86Å; R42-R44 VanDerWaalsContact O-N 3.11Å
45T68.7Low68.7Low85 Ų85120.7 Ų120.752%0.52163%0.625SS.*Hα-helixtrans-87.4-33.6-17858.30000112.9R41 R42 S47 M48R41-T45 PolarHBondContact O-N 3.29Å; R41-T45 PolarHBondContact O-OG1 2.8Å; R42-T45 PolarHBondContact O-N 3.44Å; R42-T45 PolarHBondContact O-OG1 2.98Å; R42-T45 VanDerWaalsContact O-OG1 3.11Å; T45-S47 PolarHBondContact O-N 2.88Å; T45-M48 PolarHBondContact O-N 3.46Å
46V62.9Low67Low92 Ų92119 Ų11956%0.55863%0.629SS**Hα-helixtrans-67.8-27.7178.8-145.90000111.2R42 M48 C49 S50R42-V46 VanDerWaalsContact C-CG2 3.45Å; R42-V46 HydrophobicContact CB-CG2 4.32Å; R42-V46 WeakPolarHBondContact O-CG2 3.48Å; R42-V46 PolarHBondContact O-N 3.44Å; V46-M48 PolarHBondContact O-N 3.47Å; V46-M48 VanDerWaalsContact O-N 3.16Å; V46-C49 PolarHBondContact O-N 3.35Å; V46-S50 PolarHBondContact O-OG 3.32Å
47S61.2Low65.3Low78 Ų78120 Ų12055%0.54564%0.642SS.*THydrogen-bonded Turntrans-68.3-10.5179.3-1590000114.1T45T45-S47 PolarHBondContact O-N 2.88Å
48M61.4Low63Low159 Ų159126.1 Ų126.178%0.78367%0.672SS**THydrogen-bonded Turntrans-113.81.1-178.4-61.8-80.282.900113.4T45 V46T45-M48 PolarHBondContact O-N 3.46Å; V46-M48 PolarHBondContact O-N 3.47Å; V46-M48 VanDerWaalsContact O-N 3.16Å
49C58.2Low61Low94 Ų94128.7 Ų128.764%0.63569%0.687SS**SBendtrans-11116.9-178.1-620000113.3V46 D51V46-C49 PolarHBondContact O-N 3.35Å; C49-D51 PolarHBondContact O-N 3.34Å
50S58.7Low59.2Low102 Ų102131.7 Ų131.771%0.71370%0.701SS**  trans-85.62.6-171.7-57.20000115.5V46V46-S50 PolarHBondContact O-OG 3.32Å
51D59.2Low57.1Low151 Ų151130.6 Ų130.681%0.80771%0.712SS**  trans-124.946.2-167.9-150.611.8000114.5C49C49-D51 PolarHBondContact O-N 3.34Å
52I59.4Low54.9Low144 Ų144130.4 Ų130.474%0.73872%0.722SS**  trans-130.7111160-53.290.6000108.3
53P51.3Low52.8Low107 Ų107127.2 Ų127.270%0.69572%0.724SS**PPolyproline II helixtrans-74.7135.3173.728.8-31.6000110.6S55P53-S55 PolarHBondContact O-N 3.45Å
54P48.2Very low50.7Low119 Ų119129.1 Ų129.177%0.77373%0.733SS**PPolyproline II helixtrans-74.1122.9167.929.3-30.7000109.8S56P54-S56 PolarHBondContact O-N 2.8Å
55S45.8Very low48.6Very low125 Ų125127.8 Ų127.887%0.87474%0.735SS**PPolyproline II helixtrans-56.4128168.1-171.70000110P53P53-S55 PolarHBondContact O-N 3.45Å
56S40.9Very low46.8Very low109 Ų109129.2 Ų129.276%0.76274%0.739SS**PPolyproline II helixtrans-90.2136.2178.4-66.50000110.7P54P54-S56 PolarHBondContact O-N 2.8Å
57P44.5Very low45.2Very low116 Ų116132.2 Ų132.275%0.75375%0.747SS**PPolyproline II helixtrans-89129.4165.733-26.5000110.3
58D37.9Very low44.2Very low143 Ų143136.2 Ų136.277%0.76576%0.761SS**PPolyproline II helixtrans-72.2130.1172.3-159.915.9000109.7
59I40.8Very low42.9Very low150 Ų150137.5 Ų137.577%0.76977%0.765SS**  trans-132.7111170-68.7177000107.7
60E42.3Very low41.5Very low173 Ų173139.7 Ų139.781%0.80877%0.77SS**  trans-66.2133.9179-56-170.9-177.900111.6
61V38.2Very low40.2Very low143 Ų143141.9 Ų141.987%0.86778%0.78SS**  trans-81.6121.1168.7170.40000107.9
62L35.9Very low38.8Very low156 Ų156140.1 Ų140.182%0.81777%0.774SS**  trans-128115.5156.5-170.559.3000110.9
63S37.9Very low37.6Very low87 Ų87141.4 Ų141.461%0.60878%0.782SS**  trans-56.7140.5165.31750000112.2
64Q34.1Very low36.6Very low188 Ų188139.6 Ų139.688%0.87978%0.776SS**  trans-155.2134.9143.3-114.5166.763.800112.4
65Q33Very low35.9Very low162 Ų162142.2 Ų142.276%0.75778%0.781SS**  trans-117.4141.1-171.9158.7173.5-24.300107
66N30.5Very low35.2Very low115 Ų115144.5 Ų144.562%0.61578%0.778SS**  trans171125.5141.5-101.75.7000112.3
67E29Very low35.5Very low155 Ų155143.6 Ų143.672%0.72477%0.77SS**  94.4103.8107.5-76.1175.8-171.300110.9
68I40.8Very low34.7Very low162 Ų162147.4 Ų147.483%0.83178%0.778SS**  46.49575.1-47.3173.8000113
69E34.2Very low34.4Very low186 Ų186146.5 Ų146.587%0.86978%0.777SS**  trans-145.1130.1145.157.2-175.5174.500112.5
70N29.2Very low33.9Very low141 Ų141147.5 Ų147.575%0.75478%0.779SS**  trans-66.4141.8169.1-89.3-68.2000110.3
71T30.8Very low33.3Very low148 Ų148144.9 Ų144.991%0.90878%0.775SS**  trans-159133131.3-30000113.2
72V30.2Very low32.9Very low114 Ų114142 Ų14269%0.69177%0.766SS**  trans-91.3132.4-178163.70000109.7A74V72-A74 HydrophobicContact CG1-CB 4.43Å
73L35Very low32.7Very low171 Ų171141.6 Ų141.690%0.89577%0.77SS**  trans-157.9102.8150.2-76.8-179.5000105.2
74A29.8Very low32.5Very low69 Ų69141.4 Ų141.457%0.5777%0.773SS**  6711556.600000114.2V72V72-A74 HydrophobicContact CG1-CB 4.43Å
75I32.4Very low32.8Very low174 Ų174141.3 Ų141.389%0.89277%0.773SS**  trans109.9121151.3-55.1149.9000115.9
76E31.1Very low33.2Very low172 Ų172141.2 Ų141.280%0.80478%0.776SS**  trans-93.4-159.2-179.4-153.3-133.2175.100110.3
77P47.5Very low33.7Very low91 Ų91142.9 Ų142.959%0.59178%0.783SS**  -98.8170-11642.8-25.9000114.6
78E29Very low34.4Very low196 Ų196141.1 Ų141.192%0.91679%0.785SS**  trans-134157164.8-83.4-163.4157.800113.1
79T30.5Very low34.4Very low124 Ų124142.3 Ų142.376%0.76179%0.788SS**  trans-100.9-179.4-14939.90000115.4
80E30.6Very low34.5Very low170 Ų170138 Ų13879%0.79478%0.783SS**  trans84143.3157.3-61.3-162.8144.500117
81T29.6Very low34.7Very low118 Ų118139.9 Ų139.972%0.72479%0.788SS**  cis-164.6134.610.740000107.1
82A29.3Very low35.3Very low84 Ų84139.1 Ų139.169%0.69478%0.782SS**  74.9119.8107.400000119.5
83V32.4Very low36Very low146 Ų146138.6 Ų138.689%0.88578%0.781SS**  trans99133.3130.5173.70000121.5
84A33.2Very low36.2Very low83 Ų83135.1 Ų135.169%0.68678%0.777SS**  trans99.289.4149.900000120.7
85E40.7Very low36.8Very low187 Ų187138.6 Ų138.687%0.87479%0.786SS**  trans-24.4127.4135.8-178.8178.9-170.100116.3
86I40.6Very low37.2Very low159 Ų159137.6 Ų137.682%0.81578%0.782SS**  trans-150.5105.1153.3-24.6163.9000109.1
87I41.2Very low38.1Very low151 Ų151138.4 Ų138.477%0.77478%0.783SS**  trans-107.5133160.2-67.3171.2000105.9
88P44.8Very low37.7Very low118 Ų118138.4 Ų138.477%0.76678%0.784SS**  -134.6133.8126.923.5-4.8000113.5
89E39.9Very low38.7Very low187 Ų187135.3 Ų135.387%0.87478%0.781SS**  trans-36.9132.1160.6-179.3-174.217600115.6
90A37.2Very low39.6Very low94 Ų94134.5 Ų134.578%0.77778%0.776SS**  trans-170.6124.4142.300000112.8
91E33.3Very low40.8Very low181 Ų181134.6 Ų134.685%0.84677%0.774SS**  trans72106145.5-145.6-168.1-175.600120.9
92V43.2Very low41.9Very low132 Ų132138.4 Ų138.480%0.878%0.776SS**  trans-89132.7155.1-170.10000105.3
93P44.6Very low43.6Very low103 Ų103140 Ų14067%0.66978%0.779SS**  -155.184.579.337.8-14.3000114L95P93-L95 VanDerWaalsContact C-N 3.25Å; P93-L95 PolarHBondContact O-N 2.93Å
94A39.3Very low45Very low98 Ų98142.8 Ų142.881%0.8178%0.78SS**  trans-80.381.2164.200000109.4N96A94-N96 PolarHBondContact O-N 3.27Å
95L41.7Very low46.6Very low143 Ų143142.4 Ų142.475%0.74977%0.769SS**  trans17.482.6147-167.282.4000113.3P93 K97P93-L95 VanDerWaalsContact C-N 3.25Å; P93-L95 PolarHBondContact O-N 2.93Å; L95-K97 PolarHBondContact O-N 3.03Å
96N41.9Very low47.7Very low152 Ų152141.9 Ų141.981%0.81376%0.764SS**  trans-49.4111.3165.2-85.8-68000106.7A94 C98A94-N96 PolarHBondContact O-N 3.27Å; N96-C98 VanDerWaalsContact C-N 3.33Å; N96-C98 PolarHBondContact O-N 3.39Å
97K48.9Very low49.2Very low190 Ų190142.2 Ų142.283%0.82676%0.759SS**  trans-61.6102.4-177.6-59.8-155.3-178.8-168.90106.8L95 P99L95-K97 PolarHBondContact O-N 3.03Å; K97-P99 WeakPolarHBondContact O-CD 3.4Å; K97-P99 VanDerWaalsContact O-N 3.15Å
98C40.6Very low50.6Low90 Ų90139.8 Ų139.861%0.60874%0.744SS**  trans-45.7120.4173.3-41.30000107.7N96 T100N96-C98 VanDerWaalsContact C-N 3.33Å; N96-C98 PolarHBondContact O-N 3.39Å; C98-T100 WeakPolarHBondContact CB-OG1 2.96Å; C98-T100 PolarHBondContact O-N 3.32Å
99P49.1Very low52.2Low132 Ų132139.1 Ų139.186%0.85773%0.734SS**  trans-75.369.316930.6-31.4000108K97 K101K97-P99 WeakPolarHBondContact O-CD 3.4Å; K97-P99 VanDerWaalsContact O-N 3.15Å; P99-K101 PolarHBondContact O-N 2.95Å; P99-K101 VanDerWaalsContact O-N 3.07Å
100T50.7Low53.9Low107 Ų107133.5 Ų133.566%0.65671%0.712SS**  trans-83.766.8173.2-22.10000108.9C98C98-T100 WeakPolarHBondContact CB-OG1 2.96Å; C98-T100 PolarHBondContact O-N 3.32Å
101K55.3Low55.6Low171 Ų171134 Ų13474%0.74370%0.702SS**SBendtrans-143.881.2167.5-57.2-66.8160.4-169.30111.3P99P99-K101 PolarHBondContact O-N 2.95Å; P99-K101 VanDerWaalsContact O-N 3.07Å
102Y52.2Low57.6Low199 Ų199131 Ų13178%0.7869%0.688SS**  trans68121.9153.8-65.6-87000119.5
103P64.3Low58.9Low117 Ų117134.5 Ų134.576%0.7669%0.687SS**SBendtrans-77.6127.3177.831.6-31.2000111.3T105P103-T105 PolarHBondContact O-N 2.88Å
104K62.2Low60.2Low204 Ų204135.2 Ų135.289%0.88768%0.684SS**  trans44.770.4153.9-66.4172.7177.5172.70115.8
105T67.3Low61.1Low75 Ų75132.9 Ų132.946%0.4666%0.662SS.*  trans-86.9149.7157.660.40000109.6P103 K107 H108P103-T105 PolarHBondContact O-N 2.88Å; T105-K107 PolarHBondContact O-N 3.28Å; T105-H108 WeakPolarHBondContact O-CB 3.25Å; T105-H108 PolarHBondContact O-N 3.48Å
106K63Low62.1Low176 Ų176134.5 Ų134.577%0.76567%0.666SS**Hα-helixtrans-48.7-29.2172.9-179-178.4176.6-173.60112.3L109 V110K106-L109 PolarHBondContact O-N 2.94Å; K106-V110 HydrophobicContact CG-CG2 4.39Å; K106-V110 VanDerWaalsContact O-CG2 3.26Å; K106-V110 WeakPolarHBondContact O-CG2 3.39Å; K106-V110 PolarHBondContact O-N 3.39Å
107K72.8Confident62.8Low167 Ų167134.3 Ų134.373%0.72666%0.658SS**Hα-helixtrans-64.3-37.7176.7-64.6-67.9-170.2168.10112.6T105 V110 N111T105-K107 PolarHBondContact O-N 3.28Å; K107-V110 PolarHBondContact O-N 3.35Å; K107-N111 WeakPolarHBondContact O-CB 3.33Å; K107-N111 PolarHBondContact O-N 2.79Å
108H71.2Confident63Low99 Ų99130.6 Ų130.646%0.45865%0.647SS.*Hα-helixtrans-67.1-45.5175.8-100.961.3000111.6T105 V110 N111 E112T105-H108 WeakPolarHBondContact O-CB 3.25Å; T105-H108 PolarHBondContact O-N 3.48Å; H108-V110 VanDerWaalsContact C-N 3.29Å; H108-V110 PolarHBondContact O-N 3.07Å; H108-N111 CarbonylContact O-C 3.58Å; H108-N111 WeakPolarHBondContact O-CA 3.2Å; H108-N111 WeakPolarHBondContact O-CB 3.47Å; H108-N111 PolarHBondContact O-N 3.23Å; H108-E112 WeakPolarHBondContact O-CG 3.27Å; H108-E112 PolarHBondContact O-N 2.96Å
109L78.4Confident63.4Low105 Ų105134.3 Ų134.355%0.5566%0.655SS.*Hα-helixtrans-61.5-39.4177.1-172.267.1000111.9K106 N111 W113K106-L109 PolarHBondContact O-N 2.94Å; L109-N111 VanDerWaalsContact C-N 3.34Å; L109-W113 VanDerWaalsContact O-CD1 3.28Å; L109-W113 PolarHBondContact O-N 3.33Å; L109-W113 VanDerWaalsContact O-N 3.17Å
110V75.5Confident63.2Low69 Ų69136.8 Ų136.842%0.41865%0.653SS.*Hα-helixtrans-66.5-36.7173.9171.20000111.4K106 K107 H108 L114K106-V110 HydrophobicContact CG-CG2 4.39Å; K106-V110 VanDerWaalsContact O-CG2 3.26Å; K106-V110 WeakPolarHBondContact O-CG2 3.39Å; K106-V110 PolarHBondContact O-N 3.39Å; K107-V110 PolarHBondContact O-N 3.35Å; H108-V110 VanDerWaalsContact C-N 3.29Å; H108-V110 PolarHBondContact O-N 3.07Å; V110-L114 HydrophobicContact CG1-CD1 3.82Å; V110-L114 HydrophobicContact CG1-CG 4.5Å; V110-L114 WeakPolarHBondContact O-CB 3.18Å; V110-L114 WeakPolarHBondContact O-CG 3.16Å; V110-L114 PolarHBondContact O-N 3.5Å; V110-L114 VanDerWaalsContact O-N 3.16Å
111N72.9Confident62.8Low103 Ų103138.7 Ų138.755%0.55167%0.665SS**Hα-helixtrans-69.9-46.2178-121.918.6000111.3K107 H108 L109 W113 L114 S115K107-N111 WeakPolarHBondContact O-CB 3.33Å; K107-N111 PolarHBondContact O-N 2.79Å; H108-N111 CarbonylContact O-C 3.58Å; H108-N111 WeakPolarHBondContact O-CA 3.2Å; H108-N111 WeakPolarHBondContact O-CB 3.47Å; H108-N111 PolarHBondContact O-N 3.23Å; L109-N111 VanDerWaalsContact C-N 3.34Å; N111-W113 VanDerWaalsContact C-N 3.31Å; N111-W113 PolarHBondContact O-N 3.46Å; N111-L114 CarbonylContact O-C 3.49Å; N111-L114 PolarHBondContact O-N 3.18Å; N111-S115 VanDerWaalsContact O-CB 3.23Å; N111-S115 WeakPolarHBondContact O-CB 3.17Å; N111-S115 PolarHBondContact O-N 3.15Å; N111-S115 PolarHBondContact O-OG 2.9Å
112E75.6Confident62Low118 Ų118133.8 Ų133.855%0.55166%0.663SS**Hα-helixtrans-58.6-42.7178.3-71.2177.9134.100111.3H108 L114 S115 E116H108-E112 WeakPolarHBondContact O-CG 3.27Å; H108-E112 PolarHBondContact O-N 2.96Å; E112-L114 VanDerWaalsContact C-N 3.3Å; E112-L114 PolarHBondContact O-N 3.43Å; E112-S115 WeakPolarHBondContact CA-OG 3.26Å; E112-S115 PolarHBondContact O-OG 2.99Å; E112-E116 PolarHBondContact O-N 3.4Å
113W69.4Low61.4Low206 Ų206134 Ų13478%0.7867%0.667SS**Hα-helixtrans-66.8-24.9173.6-88.772.2000114.4L109 N111L109-W113 VanDerWaalsContact O-CD1 3.28Å; L109-W113 PolarHBondContact O-N 3.33Å; L109-W113 VanDerWaalsContact O-N 3.17Å; N111-W113 VanDerWaalsContact C-N 3.31Å; N111-W113 PolarHBondContact O-N 3.46Å
114L70.9Confident60.5Low118 Ų118133.9 Ų133.962%0.61867%0.667SS**Hα-helixtrans-95.6-23.8179.1-70.9176000113V110 N111 E112V110-L114 HydrophobicContact CG1-CD1 3.82Å; V110-L114 HydrophobicContact CG1-CG 4.5Å; V110-L114 WeakPolarHBondContact O-CB 3.18Å; V110-L114 WeakPolarHBondContact O-CG 3.16Å; V110-L114 PolarHBondContact O-N 3.5Å; V110-L114 VanDerWaalsContact O-N 3.16Å; N111-L114 CarbonylContact O-C 3.49Å; N111-L114 PolarHBondContact O-N 3.18Å; E112-L114 VanDerWaalsContact C-N 3.3Å; E112-L114 PolarHBondContact O-N 3.43Å
115S60Low59.5Low50 Ų50129.7 Ų129.735%0.3566%0.663SS.*Hα-helixtrans-91-13.7-177.365.30000113.2N111 E112 K117 N118N111-S115 VanDerWaalsContact O-CB 3.23Å; N111-S115 WeakPolarHBondContact O-CB 3.17Å; N111-S115 PolarHBondContact O-N 3.15Å; N111-S115 PolarHBondContact O-OG 2.9Å; E112-S115 WeakPolarHBondContact CA-OG 3.26Å; E112-S115 PolarHBondContact O-OG 2.99Å; S115-K117 PolarHBondContact O-N 3.39Å; S115-N118 WeakPolarHBondContact CA-OD1 3.45Å; S115-N118 WeakPolarHBondContact CB-OD1 3.33Å; S115-N118 PolarHBondContact O-N 3.01Å; S115-N118 PolarHBondContact O-OD1 2.96Å
116E62.4Low58.6Low176 Ų176132.1 Ų132.182%0.82267%0.673SS**THydrogen-bonded Turntrans-57.8-14.9171.9-169.3161.1-140.100112.7E112E112-E116 PolarHBondContact O-N 3.4Å
117K56.1Low57.9Low148 Ų148128.3 Ų128.364%0.64367%0.669SS**THydrogen-bonded Turntrans-79.5-21.8171.7171.3-177.1170.3-167.80114.5S115 E130S115-K117 PolarHBondContact O-N 3.39Å; K117-E130 IonicContact NZ-OE1 2.92Å; K117-E130 PolarHBondContact NZ-OE1 3.38Å
118N54.1Low57Low112 Ų112126 Ų12660%0.59966%0.663SS**  trans-133.251-154.974-5.3000117.3S115S115-N118 WeakPolarHBondContact CA-OD1 3.45Å; S115-N118 WeakPolarHBondContact CB-OD1 3.33Å; S115-N118 PolarHBondContact O-N 3.01Å; S115-N118 PolarHBondContact O-OD1 2.96Å
119E47.3Very low56.2Low168 Ų168126.5 Ų126.579%0.78568%0.679SS**  trans-157.3105.7158.6-151-172.798.900113.3
120K45Very low54.9Low184 Ų184128.2 Ų128.280%0.868%0.684SS**  157.2113.3109.958.9-139.3159.6-169.30113.3
121T42Very low54Low148 Ų148134.4 Ų134.491%0.90870%0.699SS**  trans23.1114.4146-48.80000119.8
122G39.9Very low53.4Low68 Ų68135 Ų13570%0.70171%0.709SS**  trans127.4104.814600000116.2
123K39.3Very low52.8Low203 Ų203133 Ų13388%0.88370%0.702SS**  trans90133.2172.1-53.4-93.7-179.1170.60115.7S125K123-S125 PolarHBondContact O-N 2.84Å; K123-S125 VanDerWaalsContact O-N 3.16Å
124P45.3Very low52.6Low115 Ų115133.6 Ų133.675%0.74770%0.704SS**  trans-81.694.6176.933.5-28.5000108.5D126P124-D126 PolarHBondContact O-N 3.26Å
125S41.8Very low52.6Low116 Ų116132 Ų13281%0.81170%0.695SS**  trans-85.8100.7156.365.80000106.9K123 S127K123-S125 PolarHBondContact O-N 2.84Å; K123-S125 VanDerWaalsContact O-N 3.16Å; S125-S127 PolarHBondContact O-N 3.17Å
126D46.8Very low53.4Low125 Ų125131.3 Ų131.367%0.66869%0.689SS**  trans-33.3113.7-176.2-76.3-65.8000116.1P124 L128P124-D126 PolarHBondContact O-N 3.26Å; D126-L128 VanDerWaalsContact C-N 3.27Å; D126-L128 PolarHBondContact O-N 2.71Å
127S49.1Very low54.2Low96 Ų96130 Ų13067%0.67169%0.693SS**SBend56.910.7119.9760000120.9S125S125-S127 PolarHBondContact O-N 3.17Å
128L53.2Low55.6Low118 Ų118126.5 Ų126.562%0.61868%0.681SS**SBendtrans-86.4-12.2175.9-64.7-172.8000114.9D126D126-L128 VanDerWaalsContact C-N 3.27Å; D126-L128 PolarHBondContact O-N 2.71Å
129S54.5Low56.9Low111 Ų111125.6 Ų125.678%0.77668%0.682SS**SBendtrans-107.21.9-169.261.40000116.2
130E51.2Low58.6Low140 Ų140124 Ų12465%0.65467%0.674SS**SBendtrans-112.5-14.7-176.6-167.4148.6-122.400115.5K117K117-E130 IonicContact NZ-OE1 2.92Å; K117-E130 PolarHBondContact NZ-OE1 3.38Å
131R56.5Low60.6Low199 Ų199118.2 Ų118.275%0.75165%0.654SS**SBendtrans-97.7143.2162.2-97.480.7-174.7-168.75.5108.6L133R131-L133 PolarHBondContact O-N 3.38Å; R131-L133 VanDerWaalsContact O-N 3.13Å
132P60.7Low62.6Low115 Ų115111.5 Ų111.575%0.74761%0.612SS**  trans-51.9126.8166.322.7-31.2000107.7R134P132-R134 PolarHBondContact O-N 3.42Å
133L62.5Low64.6Low77 Ų77108.4 Ų108.440%0.40358%0.58SS.*  trans-44.7109-174.5-14087.8000108R131 I135R131-L133 PolarHBondContact O-N 3.38Å; R131-L133 VanDerWaalsContact O-N 3.13Å; L133-I135 PolarHBondContact O-N 2.94Å
134R65.2Low66.8Low219 Ų219103 Ų10383%0.82656%0.564SS**  trans-72.484.1174.6-69.9-179.385.2167.34.1105.3P132 T136P132-R134 PolarHBondContact O-N 3.42Å; R134-T136 PolarHBondContact O-N 2.81Å; R134-T136 VanDerWaalsContact O-N 3.15Å
135I72.7Confident68.7Low83 Ų8399.9 Ų99.943%0.42654%0.54SS..  trans-49.2119.4-179.9-77.2157000108.7L133 F168L133-I135 PolarHBondContact O-N 2.94Å; I135-F168 HydrophobicContact CB-CE1 4.15Å; I135-F168 HydrophobicContact CB-CE2 4.41Å; I135-F168 HydrophobicContact CB-CZ 4.08Å; I135-F168 HydrophobicContact CD1-CD1 3.53Å; I135-F168 HydrophobicContact CD1-CE1 3.46Å; I135-F168 VanDerWaalsContact CD1-CE1 3.46Å; I135-F168 HydrophobicContact CD1-CG 4.35Å; I135-F168 HydrophobicContact CD1-CZ 4.26Å; I135-F168 HydrophobicContact CG1-CD1 4.13Å; I135-F168 HydrophobicContact CG1-CE1 3.59Å; I135-F168 HydrophobicContact CG1-CZ 3.94Å; I135-F168 HydrophobicContact CG2-CD1 3.85Å; I135-F168 HydrophobicContact CG2-CD2 3.46Å; I135-F168 VanDerWaalsContact CG2-CD2 3.46Å; I135-F168 HydrophobicContact CG2-CE1 3.46Å; I135-F168 VanDerWaalsContact CG2-CE1 3.46Å; I135-F168 HydrophobicContact CG2-CE2 3.03Å; I135-F168 HydrophobicContact CG2-CG 3.86Å; I135-F168 HydrophobicContact CG2-CZ 3.04Å
136T75.9Confident70.7Confident37 Ų3796.2 Ų96.223%0.22751%0.511CS..  trans-79150.9174.963.50000109.5R134 V141 L142 Q145R134-T136 PolarHBondContact O-N 2.81Å; R134-T136 VanDerWaalsContact O-N 3.15Å; T136-V141 HydrophobicContact CG2-CG1 3.86Å; T136-L142 PolarHBondContact OG1-N 2.79Å; T136-Q145 PolarHBondContact OG1-OE1 3.48Å
137T79.5Confident72.4Confident148 Ų14892.8 Ų92.891%0.90849%0.493SS*.SBendtrans-90.5-10.2175.351.20000113
138D84.1Confident74Confident74 Ų7491.8 Ų91.840%0.39649%0.486SS..  trans-78.1119.7176.5-176.1-18.8000109.3E140 V141 L142D138-E140 VanDerWaalsContact C-N 3.27Å; D138-E140 PolarHBondContact O-N 3.44Å; D138-E140 PolarHBondContact OD1-N 3.13Å; D138-V141 HydrophobicContact CB-CB 4.13Å; D138-V141 HydrophobicContact CB-CG2 4.04Å; D138-L142 WeakPolarHBondContact O-CB 3.45Å; D138-L142 PolarHBondContact O-N 2.77Å
139P82.3Confident75.3Confident94 Ų9489.6 Ų89.661%0.6147%0.474SS*.Hα-helixtrans-61.3-32.1-177.326-35.5000113.5A143P139-A143 WeakPolarHBondContact O-CB 3.49Å; P139-A143 PolarHBondContact O-N 3.47Å
140E83.9Confident76.5Confident135 Ų13590.5 Ų90.563%0.63148%0.477SS*.Hα-helixtrans-74.9-45.9-177-64.8-176.4-177.100111.3D138 L142 A143 T144D138-E140 VanDerWaalsContact C-N 3.27Å; D138-E140 PolarHBondContact O-N 3.44Å; D138-E140 PolarHBondContact OD1-N 3.13Å; E140-L142 VanDerWaalsContact C-N 3.34Å; E140-A143 PolarHBondContact O-N 3Å; E140-T144 WeakPolarHBondContact O-CB 3.37Å; E140-T144 PolarHBondContact O-N 2.79Å; E140-T144 PolarHBondContact O-OG1 2.86Å
141V86.6Confident77.7Confident62 Ų6287.9 Ų87.938%0.37649%0.488SS..Hα-helixtrans-63.8-44.2175.1-179.40000110T136 D138 A143 T144 Q145T136-V141 HydrophobicContact CG2-CG1 3.86Å; D138-V141 HydrophobicContact CB-CB 4.13Å; D138-V141 HydrophobicContact CB-CG2 4.04Å; V141-A143 PolarHBondContact O-N 3.25Å; V141-T144 PolarHBondContact O-N 3.13Å; V141-Q145 HydrophobicContact CG1-CG 4.36Å; V141-Q145 WeakPolarHBondContact O-CB 3.32Å; V141-Q145 VanDerWaalsContact O-CG 3.26Å; V141-Q145 WeakPolarHBondContact O-CG 3.21Å; V141-Q145 PolarHBondContact O-N 2.9Å
142L84.3Confident78.6Confident6 Ų682.4 Ų82.43%0.03147%0.474CS..Hα-helixtrans-61.1-46.6178.5175.259.9000112T136 D138 E140 T144 Q145 L146 I166 F168T136-L142 PolarHBondContact OG1-N 2.79Å; D138-L142 WeakPolarHBondContact O-CB 3.45Å; D138-L142 PolarHBondContact O-N 2.77Å; E140-L142 VanDerWaalsContact C-N 3.34Å; L142-T144 VanDerWaalsContact C-N 3.31Å; L142-T144 PolarHBondContact O-N 2.92Å; L142-Q145 PolarHBondContact O-N 3.34Å; L142-L146 HydrophobicContact CD1-CD1 4.14Å; L142-L146 HydrophobicContact CD1-CG 4.18Å; L142-L146 HydrophobicContact CG-CD1 4.15Å; L142-L146 WeakPolarHBondContact O-CB 3.45Å; L142-L146 WeakPolarHBondContact O-CG 3.4Å; L142-L146 PolarHBondContact O-N 3.05Å; L142-I166 HydrophobicContact CD2-CB 3.91Å; L142-I166 HydrophobicContact CD2-CD1 4.41Å; L142-I166 HydrophobicContact CD2-CG2 3.9Å; L142-F168 HydrophobicContact CD1-CE2 4.3Å; L142-F168 HydrophobicContact CD1-CZ 3.6Å; L142-F168 HydrophobicContact CD2-CE2 3.53Å; L142-F168 HydrophobicContact CD2-CZ 3.55Å; L142-F168 HydrophobicContact CG-CZ 4.21Å
143A81.9Confident79.2Confident3 Ų383 Ų833%0.02548%0.475CS..Hα-helixtrans-68.1-34.5-17800000111.2P139 E140 V141 L146 N147 V158 Y159P139-A143 WeakPolarHBondContact O-CB 3.49Å; P139-A143 PolarHBondContact O-N 3.47Å; E140-A143 PolarHBondContact O-N 3Å; V141-A143 PolarHBondContact O-N 3.25Å; A143-L146 PolarHBondContact O-N 2.87Å; A143-N147 WeakPolarHBondContact O-CB 3.21Å; A143-N147 PolarHBondContact O-N 3.48Å; A143-N147 PolarHBondContact O-ND2 2.85Å; A143-V158 HydrophobicContact CB-CG1 4.11Å; A143-Y159 HydrophobicContact CB-CE1 3.51Å; A143-Y159 HydrophobicContact CB-CE2 4.02Å; A143-Y159 WeakPolarHBondContact CB-OH 3.2Å
144T84.4Confident79.7Confident89 Ų8986 Ų8655%0.54648%0.482SS..Hα-helixtrans-64-46.5170.8-56.20000111.9E140 V141 L142 L146 N147 S148 Y159E140-T144 WeakPolarHBondContact O-CB 3.37Å; E140-T144 PolarHBondContact O-N 2.79Å; E140-T144 PolarHBondContact O-OG1 2.86Å; V141-T144 PolarHBondContact O-N 3.13Å; L142-T144 VanDerWaalsContact C-N 3.31Å; L142-T144 PolarHBondContact O-N 2.92Å; T144-L146 VanDerWaalsContact C-N 3.3Å; T144-L146 PolarHBondContact O-N 3.16Å; T144-N147 PolarHBondContact O-N 2.98Å; T144-S148 PolarHBondContact O-N 3.01Å; T144-Y159 PolarHBondContact N-OH 3.22Å
145Q85.8Confident79.7Confident51 Ų5178.3 Ų78.324%0.23846%0.462CS..Hα-helixtrans-57.5-43.9176.6-76.2175.9-32.500111.5T136 V141 L142 S148T136-Q145 PolarHBondContact OG1-OE1 3.48Å; V141-Q145 HydrophobicContact CG1-CG 4.36Å; V141-Q145 WeakPolarHBondContact O-CB 3.32Å; V141-Q145 VanDerWaalsContact O-CG 3.26Å; V141-Q145 WeakPolarHBondContact O-CG 3.21Å; V141-Q145 PolarHBondContact O-N 2.9Å; L142-Q145 PolarHBondContact O-N 3.34Å; Q145-S148 PolarHBondContact O-N 3.43Å; Q145-S148 PolarHBondContact O-OG 2.9Å
146L83.8Confident79.6Confident38 Ų3877.7 Ų77.720%0.19946%0.463CS..Hα-helixtrans-65.2-41.8176.9-74.9177.4000112.5L142 A143 T144 S148 L149 L152 I166L142-L146 HydrophobicContact CD1-CD1 4.14Å; L142-L146 HydrophobicContact CD1-CG 4.18Å; L142-L146 HydrophobicContact CG-CD1 4.15Å; L142-L146 WeakPolarHBondContact O-CB 3.45Å; L142-L146 WeakPolarHBondContact O-CG 3.4Å; L142-L146 PolarHBondContact O-N 3.05Å; A143-L146 PolarHBondContact O-N 2.87Å; T144-L146 VanDerWaalsContact C-N 3.3Å; T144-L146 PolarHBondContact O-N 3.16Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 3.49Å; L146-L149 HydrophobicContact CD2-CD1 4.21Å; L146-L149 WeakPolarHBondContact O-CB 3.42Å; L146-L149 PolarHBondContact O-N 3.21Å; L146-L149 VanDerWaalsContact O-N 3.14Å; L146-L152 HydrophobicContact CB-CD2 3.49Å; L146-L152 VanDerWaalsContact CB-CD2 3.49Å; L146-L152 HydrophobicContact CD2-CD2 3.77Å; L146-L152 HydrophobicContact CG-CD2 4.1Å; L146-L152 VanDerWaalsContact O-CD2 3.25Å; L146-L152 WeakPolarHBondContact O-CD2 3.45Å; L146-I166 HydrophobicContact CD1-CD1 3.45Å; L146-I166 VanDerWaalsContact CD1-CD1 3.45Å
147N82.9Confident79.2Confident54 Ų5481.5 Ų81.529%0.28948%0.478SS..Hα-helixtrans-68.5-25.1179.3-68.4-27.8000113.6A143 T144 L149 Y154 Y159A143-N147 WeakPolarHBondContact O-CB 3.21Å; A143-N147 PolarHBondContact O-N 3.48Å; A143-N147 PolarHBondContact O-ND2 2.85Å; T144-N147 PolarHBondContact O-N 2.98Å; N147-L149 PolarHBondContact O-N 3.37Å; N147-Y154 HydrophobicContact CB-CD2 4.28Å; N147-Y154 VanDerWaalsContact ND2-CD2 3.26Å; N147-Y154 WeakPolarHBondContact ND2-CD2 3.23Å; N147-Y154 VanDerWaalsContact ND2-CE2 3.28Å; N147-Y154 WeakPolarHBondContact ND2-CE2 3.41Å; N147-Y154 VanDerWaalsContact OD1-CD2 3.31Å; N147-Y154 WeakPolarHBondContact OD1-CD2 3.47Å; N147-Y159 PolarHBondContact ND2-OH 2.7Å; N147-Y159 VanDerWaalsContact ND2-OH 3.09Å
148S82.2Confident78.7Confident75 Ų7577 Ų7752%0.52445%0.45SS..THydrogen-bonded Turntrans-74.6-11.8174.472.50000113.5T144 Q145 L146T144-S148 PolarHBondContact O-N 3.01Å; Q145-S148 PolarHBondContact O-N 3.43Å; Q145-S148 PolarHBondContact O-OG 2.9Å; L146-S148 VanDerWaalsContact C-N 3.27Å; L146-S148 PolarHBondContact O-N 3.49Å
149L80.6Confident77.9Confident71 Ų7178.2 Ų78.237%0.37245%0.45SS..SBendtrans-81.2123.5-179.4-62.8177000111.1L146 N147 G151 L152L146-L149 HydrophobicContact CD2-CD1 4.21Å; L146-L149 WeakPolarHBondContact O-CB 3.42Å; L146-L149 PolarHBondContact O-N 3.21Å; L146-L149 VanDerWaalsContact O-N 3.14Å; N147-L149 PolarHBondContact O-N 3.37Å; L149-G151 PolarHBondContact O-N 2.95Å; L149-L152 HydrophobicContact CB-CB 4.2Å; L149-L152 PolarHBondContact O-N 3.36Å
150P79.8Confident77.3Confident130 Ų13078 Ų7884%0.84445%0.451SS*.THydrogen-bonded Turntrans-64.5135.2172.827.1-32.8000110L152P150-L152 VanDerWaalsContact C-N 3.33Å
151G75.3Confident76.3Confident86 Ų8673 Ų7389%0.88743%0.43SS*.THydrogen-bonded Turntrans87.7-6.8-178.900000115L149L149-G151 PolarHBondContact O-N 2.95Å
152L76.3Confident75.1Confident84 Ų8476.9 Ų76.944%0.4446%0.456SS..SBendtrans-95.1117.3166-157.185.5000108.9L146 L149 P150L146-L152 HydrophobicContact CB-CD2 3.49Å; L146-L152 VanDerWaalsContact CB-CD2 3.49Å; L146-L152 HydrophobicContact CD2-CD2 3.77Å; L146-L152 HydrophobicContact CG-CD2 4.1Å; L146-L152 VanDerWaalsContact O-CD2 3.25Å; L146-L152 WeakPolarHBondContact O-CD2 3.45Å; L149-L152 HydrophobicContact CB-CB 4.2Å; L149-L152 PolarHBondContact O-N 3.36Å; P150-L152 VanDerWaalsContact C-N 3.33Å
153T72.8Confident74.1Confident127 Ų12785.3 Ų85.378%0.77949%0.492SS*.PPolyproline II helixtrans-74132.8-17953.40000110.8S155T153-S155 PolarHBondContact O-N 2.93Å; T153-S155 VanDerWaalsContact O-N 3.11Å
154Y73Confident73.4Confident141 Ų14190.6 Ų90.655%0.55352%0.516SS*.PPolyproline II helixtrans-57.6116.2172.9178.1-97.9000109.2N147 P156 Y159N147-Y154 HydrophobicContact CB-CD2 4.28Å; N147-Y154 VanDerWaalsContact ND2-CD2 3.26Å; N147-Y154 WeakPolarHBondContact ND2-CD2 3.23Å; N147-Y154 VanDerWaalsContact ND2-CE2 3.28Å; N147-Y154 WeakPolarHBondContact ND2-CE2 3.41Å; N147-Y154 VanDerWaalsContact OD1-CD2 3.31Å; N147-Y154 WeakPolarHBondContact OD1-CD2 3.47Å; Y154-P156 HydrophobicContact CD1-CB 4.43Å; Y154-P156 HydrophobicContact CD1-CG 3.95Å; Y154-P156 HydrophobicContact CE1-CB 3.68Å; Y154-P156 HydrophobicContact CE1-CG 3.64Å; Y154-P156 WeakPolarHBondContact O-CD 3.28Å; Y154-Y159 AromaticContact CE2-CE2 3.91Å; Y154-Y159 HydrophobicContact CE2-CE2 3.91Å
155S65.7Low72.7Confident57 Ų5793.6 Ų93.640%0.39952%0.518SS..  trans-108.8100.1175-173.70000109.7T153 H157 V158T153-S155 PolarHBondContact O-N 2.93Å; T153-S155 VanDerWaalsContact O-N 3.11Å; S155-H157 PolarHBondContact O-N 3.17Å; S155-V158 WeakPolarHBondContact O-CG2 3.39Å; S155-V158 PolarHBondContact O-N 3.31Å
156P69.9Low72.1Confident70 Ų7094.2 Ų94.246%0.45552%0.523SS..THydrogen-bonded Turntrans-61.6-18.8-179.20.40.9000113.1Y154 V158 Y159 S160Y154-P156 HydrophobicContact CD1-CB 4.43Å; Y154-P156 HydrophobicContact CD1-CG 3.95Å; Y154-P156 HydrophobicContact CE1-CB 3.68Å; Y154-P156 HydrophobicContact CE1-CG 3.64Å; Y154-P156 WeakPolarHBondContact O-CD 3.28Å; P156-V158 PolarHBondContact O-N 3.26Å; P156-Y159 PolarHBondContact O-N 2.97Å; P156-S160 PolarHBondContact O-N 3.34Å; P156-S160 VanDerWaalsContact O-N 3.17Å
157H67.9Low71.7Confident117 Ų117100.2 Ų100.254%0.54254%0.543SS..Hα-helixtrans-61.5-25.6177.8-94.574.8000113.5S155 Y159 T161S155-H157 PolarHBondContact O-N 3.17Å; H157-Y159 VanDerWaalsContact C-N 3.25Å; H157-Y159 PolarHBondContact O-N 2.92Å; H157-T161 PolarHBondContact O-N 2.94Å; H157-T161 PolarHBondContact O-OG1 3.42Å
158V69.5Low70.9Confident52 Ų52102.7 Ų102.732%0.31555%0.551SS.*Hα-helixtrans-63.2-33.6177.9177.90000111.5A143 S155 P156 I166A143-V158 HydrophobicContact CB-CG1 4.11Å; S155-V158 WeakPolarHBondContact O-CG2 3.39Å; S155-V158 PolarHBondContact O-N 3.31Å; P156-V158 PolarHBondContact O-N 3.26Å; V158-I166 HydrophobicContact CG1-CD1 3.72Å; V158-I166 HydrophobicContact CG1-CG1 3.91Å; V158-I166 HydrophobicContact CG2-CD1 4.31Å
159Y67.3Low70.3Confident101 Ų101104.3 Ų104.340%0.39656%0.558SS.*Hα-helixtrans-93.3-32.5-179.5-59.3-80.5000112.7A143 T144 N147 Y154 P156 H157A143-Y159 HydrophobicContact CB-CE1 3.51Å; A143-Y159 HydrophobicContact CB-CE2 4.02Å; A143-Y159 WeakPolarHBondContact CB-OH 3.2Å; T144-Y159 PolarHBondContact N-OH 3.22Å; N147-Y159 PolarHBondContact ND2-OH 2.7Å; N147-Y159 VanDerWaalsContact ND2-OH 3.09Å; Y154-Y159 AromaticContact CE2-CE2 3.91Å; Y154-Y159 HydrophobicContact CE2-CE2 3.91Å; P156-Y159 PolarHBondContact O-N 2.97Å; H157-Y159 VanDerWaalsContact C-N 3.25Å; H157-Y159 PolarHBondContact O-N 2.92Å
160S70Confident69.4Low89 Ų89103.6 Ų103.662%0.62256%0.559SS**Hα-helixtrans-75.9-25-172.31700000113.7P156P156-S160 PolarHBondContact O-N 3.34Å; P156-S160 VanDerWaalsContact O-N 3.17Å
161T62.3Low68.8Low31 Ų31103.2 Ų103.219%0.1956%0.557CS.*  trans-119.8113.1-165.3600000112.2H157 K163 H164H157-T161 PolarHBondContact O-N 2.94Å; H157-T161 PolarHBondContact O-OG1 3.42Å; T161-K163 PolarHBondContact O-N 2.76Å; T161-H164 WeakPolarHBondContact CB-ND1 3.5Å; T161-H164 PolarHBondContact O-N 3.15Å; T161-H164 VanDerWaalsContact O-N 3.14Å; T161-H164 WeakPolarHBondContact OG1-CB 3.4Å; T161-H164 PolarHBondContact OG1-ND1 3.48Å
162P62.7Low67.8Low142 Ų142107.9 Ų107.992%0.92255%0.553SS**THydrogen-bonded Turntrans-60.3-10.4-175-24.832.2000115.9
163K62.9Low67.1Low184 Ų184109.3 Ų109.380%0.856%0.56SS**THydrogen-bonded Turntrans-103.1-9.2-177.6-78.5180177.7173.10114.6T161 Y165T161-K163 PolarHBondContact O-N 2.76Å; K163-Y165 WeakPolarHBondContact O-CD1 3.49Å; K163-Y165 PolarHBondContact O-N 3.28Å
164H65.9Low66.1Low113 Ų113106.8 Ų106.852%0.52355%0.548SS..  trans-102.856.6-173.6-58.877.4000111T161T161-H164 WeakPolarHBondContact CB-ND1 3.5Å; T161-H164 PolarHBondContact O-N 3.15Å; T161-H164 VanDerWaalsContact O-N 3.14Å; T161-H164 WeakPolarHBondContact OG1-CB 3.4Å; T161-H164 PolarHBondContact OG1-ND1 3.48Å
165Y70.8Confident65.3Low152 Ų152108.7 Ų108.760%0.59656%0.562SS**  trans-63.9136.2172.560.3-75.8000110.1K163 R167K163-Y165 WeakPolarHBondContact O-CD1 3.49Å; K163-Y165 PolarHBondContact O-N 3.28Å; Y165-R167 HydrophobicContact CD2-CG 3.23Å; Y165-R167 HydrophobicContact CE2-CB 4.49Å; Y165-R167 HydrophobicContact CE2-CG 3.02Å; Y165-R167 HydrophobicContact CG-CG 4.25Å; Y165-R167 VanDerWaalsContact CZ-CD 3.44Å; Y165-R167 PolarHBondContact O-N 3.05Å; Y165-R167 WeakPolarHBondContact OH-CD 3.26Å; Y165-R167 PolarHBondContact OH-NE 3.48Å; Y165-R167 PolarHBondContact OH-NH1 3.04Å
166I73.1Confident64.9Low64 Ų64114.9 Ų114.933%0.32858%0.581SS.*  trans-70.1122.8171.5-59-173.3000107.8L142 L146 V158L142-I166 HydrophobicContact CD2-CB 3.91Å; L142-I166 HydrophobicContact CD2-CD1 4.41Å; L142-I166 HydrophobicContact CD2-CG2 3.9Å; L146-I166 HydrophobicContact CD1-CD1 3.45Å; L146-I166 VanDerWaalsContact CD1-CD1 3.45Å; V158-I166 HydrophobicContact CG1-CD1 3.72Å; V158-I166 HydrophobicContact CG1-CG1 3.91Å; V158-I166 HydrophobicContact CG2-CD1 4.31Å
167R74.6Confident64.4Low164 Ų164121.2 Ų121.262%0.61960%0.602SS**  trans-108.9123.6-179.8-66.5176.880.5-179.8-1.3109.9Y165 T169Y165-R167 HydrophobicContact CD2-CG 3.23Å; Y165-R167 HydrophobicContact CE2-CB 4.49Å; Y165-R167 HydrophobicContact CE2-CG 3.02Å; Y165-R167 HydrophobicContact CG-CG 4.25Å; Y165-R167 VanDerWaalsContact CZ-CD 3.44Å; Y165-R167 PolarHBondContact O-N 3.05Å; Y165-R167 WeakPolarHBondContact OH-CD 3.26Å; Y165-R167 PolarHBondContact OH-NE 3.48Å; Y165-R167 PolarHBondContact OH-NH1 3.04Å; R167-T169 PolarHBondContact O-N 2.77Å
168F66.4Low63.9Low106 Ų106124.1 Ų124.147%0.46561%0.608SS.*  trans-72.299.3162.7-63.3-73.9000108.7I135 L142 S170I135-F168 HydrophobicContact CB-CE1 4.15Å; I135-F168 HydrophobicContact CB-CE2 4.41Å; I135-F168 HydrophobicContact CB-CZ 4.08Å; I135-F168 HydrophobicContact CD1-CD1 3.53Å; I135-F168 HydrophobicContact CD1-CE1 3.46Å; I135-F168 VanDerWaalsContact CD1-CE1 3.46Å; I135-F168 HydrophobicContact CD1-CG 4.35Å; I135-F168 HydrophobicContact CD1-CZ 4.26Å; I135-F168 HydrophobicContact CG1-CD1 4.13Å; I135-F168 HydrophobicContact CG1-CE1 3.59Å; I135-F168 HydrophobicContact CG1-CZ 3.94Å; I135-F168 HydrophobicContact CG2-CD1 3.85Å; I135-F168 HydrophobicContact CG2-CD2 3.46Å; I135-F168 VanDerWaalsContact CG2-CD2 3.46Å; I135-F168 HydrophobicContact CG2-CE1 3.46Å; I135-F168 VanDerWaalsContact CG2-CE1 3.46Å; I135-F168 HydrophobicContact CG2-CE2 3.03Å; I135-F168 HydrophobicContact CG2-CG 3.86Å; I135-F168 HydrophobicContact CG2-CZ 3.04Å; L142-F168 HydrophobicContact CD1-CE2 4.3Å; L142-F168 HydrophobicContact CD1-CZ 3.6Å; L142-F168 HydrophobicContact CD2-CE2 3.53Å; L142-F168 HydrophobicContact CD2-CZ 3.55Å; L142-F168 HydrophobicContact CG-CZ 4.21Å; F168-S170 PolarHBondContact O-N 3.48Å
169T70Confident63Low110 Ų110129 Ų12968%0.67562%0.621SS**  trans-71.1112.2167.654.10000107.3R167R167-T169 PolarHBondContact O-N 2.77Å
170S61.8Low62.5Low55 Ų55134.8 Ų134.839%0.38565%0.648SS.*  trans-56.9135.7167.3168.90000108.6F168 F172 L173F168-S170 PolarHBondContact O-N 3.48Å; S170-F172 PolarHBondContact O-N 3.02Å; S170-F172 PolarHBondContact OG-N 3.02Å; S170-L173 PolarHBondContact O-N 3.09Å
171P66.7Low61.4Low123 Ų123136.5 Ų136.580%0.79965%0.646SS**THydrogen-bonded Turntrans-60.2-10.1176.624.3-32.9000112.8
172F54.7Low60.6Low183 Ų183140.5 Ų140.580%0.80367%0.671SS**THydrogen-bonded Turntrans-96.5-0.2177.7-57.9-74.2000114.3S170 S174S170-F172 PolarHBondContact O-N 3.02Å; S170-F172 PolarHBondContact OG-N 3.02Å; F172-S174 PolarHBondContact O-N 3.19Å
173L60.7Low59.8Low115 Ų115139.6 Ų139.660%0.60266%0.663SS**  trans-7689.8170.3-70.8171.8000108.9S170 E175S170-L173 PolarHBondContact O-N 3.09Å; L173-E175 PolarHBondContact O-N 2.86Å
174S53.3Low59.4Low73 Ų73136.8 Ų136.851%0.5165%0.652SS.*  trans-53.9131.3174.255.70000110.7F172 K176F172-S174 PolarHBondContact O-N 3.19Å; S174-K176 PolarHBondContact O-N 3.42Å; S174-K176 VanDerWaalsContact OG-CD 3.32Å; S174-K176 WeakPolarHBondContact OG-CD 3.31Å; S174-K176 VanDerWaalsContact OG-CE 3.27Å; S174-K176 WeakPolarHBondContact OG-CE 3.43Å; S174-K176 WeakPolarHBondContact OG-CG 3.49Å
175E55.6Low58.8Low182 Ų182137.5 Ų137.585%0.8566%0.66SS**  trans-62.545.6177.6-61.2-168.3134.900114.5L173 K177L173-E175 PolarHBondContact O-N 2.86Å; E175-K177 PolarHBondContact O-N 3.05Å
176K57.5Low58.1Low187 Ų187137.9 Ų137.981%0.81367%0.671SS**THydrogen-bonded Turntrans-67.410.3-169.7-78.1-176.4176.9-178.10115.2S174S174-K176 PolarHBondContact O-N 3.42Å; S174-K176 VanDerWaalsContact OG-CD 3.32Å; S174-K176 WeakPolarHBondContact OG-CD 3.31Å; S174-K176 VanDerWaalsContact OG-CE 3.27Å; S174-K176 WeakPolarHBondContact OG-CE 3.43Å; S174-K176 WeakPolarHBondContact OG-CG 3.49Å
177K58.4Low57.4Low203 Ų203140.9 Ų140.988%0.88370%0.697SS**THydrogen-bonded Turntrans-149.347.1178.7-155.3-173.4173.7-1780113.6E175E175-K177 PolarHBondContact O-N 3.05Å
178R57.5Low57.1Low177 Ų177135 Ų13567%0.66869%0.688SS**SBendtrans-157.3126.3148.4-133.1174.754.990.27.4113.2
179R51.9Low57.8Low156 Ų156133.9 Ų133.959%0.58969%0.693SS**  trans78.8117.4175.4-60.6-157.7174.3128.4-2116.6E181R179-E181 PolarHBondContact O-N 3.37Å; R179-E181 VanDerWaalsContact O-N 3.15Å
180K56.2Low58.2Low221 Ų221133.8 Ų133.896%0.96170%0.696SS**  trans-63.399.9154-78.6170.6171.5176.70106
181E46.9Very low59.4Low126 Ų126138.1 Ų138.159%0.58971%0.708SS**  trans-105.5135.1163.6-160.6101-128.900106.8R179 T183R179-E181 PolarHBondContact O-N 3.37Å; R179-E181 VanDerWaalsContact O-N 3.15Å; E181-T183 PolarHBondContact O-N 3.29Å
182T44.3Very low60.4Low115 Ų115139.5 Ų139.571%0.70670%0.701SS**  trans-53.2130.5-167.434.70000113.2E184T182-E184 PolarHBondContact O-N 3.41Å
183T45.9Very low61.9Low123 Ų123139.6 Ų139.676%0.75570%0.696SS**  trans-62.173.8169.1-53.60000110E181 I186E181-T183 PolarHBondContact O-N 3.29Å; T183-I186 HydrophobicContact CG2-CD1 4.33Å
184E54.8Low63.2Low124 Ų124141.2 Ų141.258%0.57969%0.694SS**  trans-126.691.8176.1-68.8-72.1162.300107.6T182T182-E184 PolarHBondContact O-N 3.41Å
185N53.1Low64.9Low128 Ų128141.9 Ų141.968%0.68469%0.692SS**  trans86.673.8156.4-46.1-68000117.1S187N185-S187 PolarHBondContact O-N 3.45Å
186I55.8Low66.4Low160 Ų160139 Ų13982%0.82168%0.676SS**SBendtrans-71-7.1168.9-58.3119.6000112.5T183 G188T183-I186 HydrophobicContact CG2-CD1 4.33Å; I186-G188 PolarHBondContact O-N 3.24Å
187S59.8Low67.6Low127 Ų127135.5 Ų135.589%0.88866%0.663SS**  trans-9360.2179.8-170.80000112.3N185N185-S187 PolarHBondContact O-N 3.45Å
188G67.8Low68.7Low41 Ų41128 Ų12842%0.42364%0.639SS.*  trans-131.4145.817900000112.9I186I186-G188 PolarHBondContact O-N 3.24Å
189S80.3Confident69.9Low82 Ų82124.8 Ų124.857%0.57363%0.634SS**  trans-57.9144.2170.5172.70000110.8K191 K192 R193S189-K191 PolarHBondContact O-N 3.48Å; S189-K191 PolarHBondContact OG-N 3.49Å; S189-K192 WeakPolarHBondContact O-CA 3.4Å; S189-K192 WeakPolarHBondContact O-CB 3.41Å; S189-K192 PolarHBondContact O-N 2.94Å; S189-R193 PolarHBondContact O-N 3.29Å; S189-R193 VanDerWaalsContact O-N 3.09Å
190C79.2Confident71Confident109 Ų109120.7 Ų120.774%0.73662%0.622SS**Hα-helixtrans-47.2-38.8173.8-176.30000111.4K192 R193 W194C190-K192 PolarHBondContact O-N 3.43Å; C190-R193 PolarHBondContact O-N 3.35Å; C190-W194 VanDerWaalsContact O-CD1 3.29Å; C190-W194 PolarHBondContact O-N 3.21Å
191K86.8Confident71.6Confident145 Ų145116 Ų11663%0.6360%0.603SS**Hα-helixtrans-59-44.9176.6-165.4178.9179.4178.60113S189 R193 W194 L195S189-K191 PolarHBondContact O-N 3.48Å; S189-K191 PolarHBondContact OG-N 3.49Å; K191-R193 VanDerWaalsContact C-N 3.28Å; K191-R193 PolarHBondContact O-N 3.39Å; K191-W194 VanDerWaalsContact C-CD1 3.46Å; K191-W194 VanDerWaalsContact CA-NE1 3.32Å; K191-W194 VanDerWaalsContact CG-NE1 3.34Å; K191-W194 PolarHBondContact O-NE1 3.16Å; K191-L195 WeakPolarHBondContact O-CB 3.46Å; K191-L195 PolarHBondContact O-N 3.44Å
192K87.9Confident72.5Confident153 Ų153116.4 Ų116.467%0.66561%0.605SS**Hα-helixtrans-68.2-34.2-179.4-168.3-179.3176.6-178.80110.7S189 C190 K196S189-K192 WeakPolarHBondContact O-CA 3.4Å; S189-K192 WeakPolarHBondContact O-CB 3.41Å; S189-K192 PolarHBondContact O-N 2.94Å; C190-K192 PolarHBondContact O-N 3.43Å; K192-K196 VanDerWaalsContact O-CB 3.31Å; K192-K196 WeakPolarHBondContact O-CB 3.31Å; K192-K196 PolarHBondContact O-N 3.11Å
193R86.8Confident73.3Confident185 Ų185116 Ų11670%0.69860%0.599SS**Hα-helixtrans-72.5-46.3-178.9-165.3173.4170.6-143.2-6112.7S189 C190 K191 L195 K196 Q197S189-R193 PolarHBondContact O-N 3.29Å; S189-R193 VanDerWaalsContact O-N 3.09Å; C190-R193 PolarHBondContact O-N 3.35Å; K191-R193 VanDerWaalsContact C-N 3.28Å; K191-R193 PolarHBondContact O-N 3.39Å; R193-L195 VanDerWaalsContact C-N 3.34Å; R193-L195 PolarHBondContact O-N 2.99Å; R193-K196 PolarHBondContact O-N 3.49Å; R193-Q197 VanDerWaalsContact O-CB 3.31Å; R193-Q197 WeakPolarHBondContact O-CB 3.27Å; R193-Q197 PolarHBondContact O-N 3.35Å
194W87.7Confident73.9Confident148 Ų148112.9 Ų112.956%0.56158%0.582SS**Hα-helixtrans-66-37.7177.278.1-91.1000111.9C190 K191 Q197 A198C190-W194 VanDerWaalsContact O-CD1 3.29Å; C190-W194 PolarHBondContact O-N 3.21Å; K191-W194 VanDerWaalsContact C-CD1 3.46Å; K191-W194 VanDerWaalsContact CA-NE1 3.32Å; K191-W194 VanDerWaalsContact CG-NE1 3.34Å; K191-W194 PolarHBondContact O-NE1 3.16Å; W194-Q197 PolarHBondContact O-N 2.95Å; W194-A198 WeakPolarHBondContact O-CB 3.32Å; W194-A198 PolarHBondContact O-N 3.11Å
195L89.4Confident74Confident88 Ų88110.8 Ų110.846%0.46158%0.578SS.*Hα-helixtrans-67.4-41.6178-173.863.7000111.8K191 R193 Q197 A198 L199K191-L195 WeakPolarHBondContact O-CB 3.46Å; K191-L195 PolarHBondContact O-N 3.44Å; R193-L195 VanDerWaalsContact C-N 3.34Å; R193-L195 PolarHBondContact O-N 2.99Å; L195-Q197 VanDerWaalsContact C-N 3.33Å; L195-A198 PolarHBondContact O-N 3.2Å; L195-L199 WeakPolarHBondContact O-CG 3.32Å; L195-L199 PolarHBondContact O-N 3.11Å
196K86.8Confident74.2Confident120 Ų120109.6 Ų109.652%0.52257%0.57SS.*Hα-helixtrans-61.7-44.1174.2-168.4-165.8178.8-158.90110.8K192 R193 L199 E200K192-K196 VanDerWaalsContact O-CB 3.31Å; K192-K196 WeakPolarHBondContact O-CB 3.31Å; K192-K196 PolarHBondContact O-N 3.11Å; R193-K196 PolarHBondContact O-N 3.49Å; K196-L199 PolarHBondContact O-N 3.31Å; K196-E200 WeakPolarHBondContact O-CB 3.39Å; K196-E200 PolarHBondContact O-N 3.1Å
197Q82.9Confident74.1Confident114 Ų114107.3 Ų107.353%0.53356%0.559SS.*Hα-helixtrans-63.8-43.6-179.8-172.5176.7-35.300112R193 W194 L195 L199 E200 E201R193-Q197 VanDerWaalsContact O-CB 3.31Å; R193-Q197 WeakPolarHBondContact O-CB 3.27Å; R193-Q197 PolarHBondContact O-N 3.35Å; W194-Q197 PolarHBondContact O-N 2.95Å; L195-Q197 VanDerWaalsContact C-N 3.33Å; Q197-L199 VanDerWaalsContact C-N 3.28Å; Q197-L199 PolarHBondContact O-N 2.95Å; Q197-E200 PolarHBondContact O-N 2.78Å; Q197-E201 PolarHBondContact O-N 2.99Å
198A81.6Confident73.7Confident45 Ų45107.5 Ų107.537%0.37255%0.546SS..Hα-helixtrans-60.6-37.7175.800000112.3W194 L195W194-A198 WeakPolarHBondContact O-CB 3.32Å; W194-A198 PolarHBondContact O-N 3.11Å; L195-A198 PolarHBondContact O-N 3.2Å
199L82Confident72.8Confident110 Ų110115.7 Ų115.758%0.57656%0.564SS**Hα-helixtrans-72.6-35.5176.1-70.5170.6000112.7L195 K196 Q197 N203L195-L199 WeakPolarHBondContact O-CG 3.32Å; L195-L199 PolarHBondContact O-N 3.11Å; K196-L199 PolarHBondContact O-N 3.31Å; Q197-L199 VanDerWaalsContact C-N 3.28Å; Q197-L199 PolarHBondContact O-N 2.95Å; L199-N203 PolarHBondContact O-ND2 3.23Å
200E76.1Confident71.3Confident71 Ų71120.7 Ų120.733%0.33257%0.572SS.*Hα-helixtrans-74.1-30.6-179.2-175.6167.2-144.500112.8K196 Q197 N203 S204K196-E200 WeakPolarHBondContact O-CB 3.39Å; K196-E200 PolarHBondContact O-N 3.1Å; Q197-E200 PolarHBondContact O-N 2.78Å; E200-N203 PolarHBondContact O-N 3.04Å; E200-S204 VanDerWaalsContact O-CB 3.28Å; E200-S204 WeakPolarHBondContact O-CB 3.47Å; E200-S204 PolarHBondContact O-N 3.49Å; E200-S204 PolarHBondContact O-OG 3.19Å
201E68.7Low69.7Low122 Ų122122.6 Ų122.657%0.5757%0.569SS**Hα-helixtrans-63.2-41.3176.4-170168.2-179.100111.9Q197 N203 S204 T205Q197-E201 PolarHBondContact O-N 2.99Å; E201-N203 PolarHBondContact O-N 3.12Å; E201-S204 PolarHBondContact O-N 3.3Å; E201-T205 WeakPolarHBondContact O-CG2 2.85Å; E201-T205 PolarHBondContact O-N 3.45Å; E201-T205 VanDerWaalsContact O-N 3.13Å; E201-T205 PolarHBondContact O-OG1 2.82Å
202E64.9Low67.5Low134 Ų134119.7 Ų119.763%0.62657%0.567SS**Hα-helixtrans-65.6-36174-65-63.1146.200112.5T205 I206E202-T205 PolarHBondContact O-OG1 3Å; E202-I206 WeakPolarHBondContact O-CD1 3.47Å; E202-I206 WeakPolarHBondContact O-CG1 3.46Å
203N60.4Low65.3Low108 Ų108118.2 Ų118.258%0.57857%0.573SS**Hα-helixtrans-76.5-34.4178.7-77.2-83.9000112.4L199 E200 E201 L207L199-N203 PolarHBondContact O-ND2 3.23Å; E200-N203 PolarHBondContact O-N 3.04Å; E201-N203 PolarHBondContact O-N 3.12Å; N203-L207 PolarHBondContact O-N 2.95Å
204S59Low63.2Low57 Ų57115 Ų11540%0.39958%0.578SS.*Hα-helixtrans-75.3-32.7-177.9-61.40000112.7E200 E201 I206 L207 H208E200-S204 VanDerWaalsContact O-CB 3.28Å; E200-S204 WeakPolarHBondContact O-CB 3.47Å; E200-S204 PolarHBondContact O-N 3.49Å; E200-S204 PolarHBondContact O-OG 3.19Å; E201-S204 PolarHBondContact O-N 3.3Å; S204-I206 VanDerWaalsContact C-N 3.31Å; S204-I206 PolarHBondContact O-N 2.87Å; S204-L207 PolarHBondContact O-N 2.85Å; S204-H208 PolarHBondContact O-N 2.82Å
205T56.2Low61Low79 Ų79116.6 Ų116.649%0.48559%0.592SS.*Hα-helixtrans-65.4-35.2175.853.60000111.8E201 E202 H208 R209E201-T205 WeakPolarHBondContact O-CG2 2.85Å; E201-T205 PolarHBondContact O-N 3.45Å; E201-T205 VanDerWaalsContact O-N 3.13Å; E201-T205 PolarHBondContact O-OG1 2.82Å; E202-T205 PolarHBondContact O-OG1 3Å; T205-H208 PolarHBondContact O-N 2.77Å; T205-R209 PolarHBondContact O-N 2.76Å
206I58.2Low58.8Low103 Ų103120.9 Ų120.953%0.52861%0.609SS.*Hα-helixtrans-63-46.7174.1-62166.5000110.1E202 S204 H208 R209 Y210E202-I206 WeakPolarHBondContact O-CD1 3.47Å; E202-I206 WeakPolarHBondContact O-CG1 3.46Å; S204-I206 VanDerWaalsContact C-N 3.31Å; S204-I206 PolarHBondContact O-N 2.87Å; I206-H208 PolarHBondContact O-N 2.77Å; I206-R209 PolarHBondContact O-N 2.93Å; I206-Y210 HydrophobicContact CG2-CE2 4.21Å; I206-Y210 WeakPolarHBondContact O-CD2 3.41Å
207L53Low56.4Low112 Ų112125.5 Ų125.559%0.58662%0.624SS**Hα-helixtrans-67.4-32.6179.4-118160.4000113.1N203 S204 R209 Y210 H211N203-L207 PolarHBondContact O-N 2.95Å; S204-L207 PolarHBondContact O-N 2.85Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 2.85Å; L207-Y210 PolarHBondContact O-N 2.81Å; L207-H211 PolarHBondContact O-N 2.95Å
208H51.5Low55Low131 Ų131125.1 Ų125.161%0.60663%0.633SS**Hα-helixtrans-69.7-27.7177.9-162.7-95.4000113.1S204 T205 I206 Y210S204-H208 PolarHBondContact O-N 2.82Å; T205-H208 PolarHBondContact O-N 2.77Å; I206-H208 PolarHBondContact O-N 2.77Å; H208-Y210 VanDerWaalsContact C-N 3.3Å; H208-Y210 PolarHBondContact O-N 2.88Å
209R49.5Very low53.2Low214 Ų214133.4 Ų133.481%0.80866%0.655SS**Hα-helixtrans-67.8-29175.5-173.4175.2-72175.8-1112.6T205 I206 L207T205-R209 PolarHBondContact O-N 2.76Å; I206-R209 PolarHBondContact O-N 2.93Å; L207-R209 VanDerWaalsContact C-N 3.32Å; L207-R209 PolarHBondContact O-N 2.85Å
210Y48.3Very low51.3Low187 Ų187133.6 Ų133.673%0.73367%0.665SS**Hα-helixtrans-91.7-11.8-179.2-67.9-78000114.5I206 L207 H208I206-Y210 HydrophobicContact CG2-CE2 4.21Å; I206-Y210 WeakPolarHBondContact O-CD2 3.41Å; L207-Y210 PolarHBondContact O-N 2.81Å; H208-Y210 VanDerWaalsContact C-N 3.3Å; H208-Y210 PolarHBondContact O-N 2.88Å
211H46.9Very low49.7Very low149 Ų149136.2 Ų136.269%0.6969%0.689SS**  trans-105.535.5-178.9-101.5-66.9000113.6L207 P213L207-H211 PolarHBondContact O-N 2.95Å; H211-P213 VanDerWaalsContact O-CD 3.27Å; H211-P213 WeakPolarHBondContact O-CD 3.23Å
212S38.8Very low48.3Very low84 Ų84137 Ų13759%0.58770%0.702SS**  trans-68.9117.1165.2-175.40000109.1C214S212-C214 PolarHBondContact O-N 2.83Å
213P43.2Very low47.3Very low121 Ų121136.6 Ų136.679%0.78671%0.708SS**  trans-78.673.4171.733.1-28.9000108.3H211 Q215H211-P213 VanDerWaalsContact O-CD 3.27Å; H211-P213 WeakPolarHBondContact O-CD 3.23Å; P213-Q215 PolarHBondContact O-N 2.76Å
214C42.7Very low46.2Very low119 Ų119138.2 Ų138.280%0.80472%0.717SS**  trans-6985.2153.8-76.60000106.9S212S212-C214 PolarHBondContact O-N 2.83Å
215Q40.7Very low45.4Very low181 Ų181143.4 Ų143.485%0.84674%0.735SS**  trans-126.280.4166-157.8170.954.400109.3P213 R217P213-Q215 PolarHBondContact O-N 2.76Å; Q215-R217 PolarHBondContact O-N 3.15Å
216E44Very low44.7Very low177 Ų177148.8 Ų148.883%0.82775%0.748SS**  trans-5.8105.4139-172.1157.1-150.700115.5
217R36.4Very low43.7Very low218 Ų218153 Ų15382%0.82376%0.762SS**  trans-156.680.8146.4-143.6167.1-170.9147.50.6111.1Q215 R219Q215-R217 PolarHBondContact O-N 3.15Å; R217-R219 PolarHBondContact O-N 3.4Å
218S53.2Low43.1Very low105 Ų105156.6 Ų156.673%0.73477%0.774SS**  trans-58.3117.416121.80000110.3
219R44.4Very low43.2Very low220 Ų220154.4 Ų154.483%0.8377%0.771SS**  trans-144.9102.3154.3-75-162.7175-128.3-2.7109.4R217R217-R219 PolarHBondContact O-N 3.4Å
220S40.6Very low42.8Very low113 Ų113155.1 Ų155.179%0.7977%0.774SS**PPolyproline II helixtrans-69.6145.2168.3-42.30000110.6
221P43.1Very low42.5Very low127 Ų127154.5 Ų154.583%0.82578%0.775SS**PPolyproline II helixtrans-93.8133.3157.932-23000110.5
222T38.5Very low42Very low139 Ų139156.1 Ų156.185%0.85378%0.78SS**PPolyproline II helixtrans-60.3135.4-178.9-43.60000112.6
223V45.1Very low41.8Very low124 Ų124155.4 Ų155.475%0.75278%0.775SS**PPolyproline II helixtrans-52.9130.9163.2150.70000110.3
224N37.3Very low41.7Very low143 Ų143159.2 Ų159.277%0.76577%0.774SS**  trans-139.284.8156.2-148.226.6000108.6
225E42.6Very low41.4Very low166 Ų166159.9 Ų159.978%0.77677%0.77SS**  trans-75.6123.5159.6-83.4-164.7143.100108.5
226Y41.6Very low41.4Very low191 Ų191160.3 Ų160.375%0.74977%0.769SS**  trans-14688.3145.7-76.7-70.9000108.9F228Y226-F228 HydrophobicContact CD1-CE2 4.23Å
227F36.7Very low41.4Very low191 Ų191161.3 Ų161.384%0.83877%0.773SS**  trans-90.1106.1163.9-165-93.4000107.6P229F227-P229 HydrophobicContact CD1-CG 4.4Å; F227-P229 HydrophobicContact CE1-CB 4.5Å; F227-P229 HydrophobicContact CE1-CG 4.2Å
228F40.9Very low42.1Very low188 Ų188158.2 Ų158.283%0.82577%0.77SS**  trans-112.9122.3167.3-95.9-80.9000109.4Y226Y226-F228 HydrophobicContact CD1-CE2 4.23Å
229P53.3Low41.8Very low86 Ų86161.9 Ų161.956%0.55878%0.775SS**  trans-107.6157.3165.235.5-26.1000112.3F227F227-P229 HydrophobicContact CD1-CG 4.4Å; F227-P229 HydrophobicContact CE1-CB 4.5Å; F227-P229 HydrophobicContact CE1-CG 4.2Å
230R40.2Very low42.1Very low228 Ų228158.9 Ų158.986%0.8678%0.775SS**  trans95.1141.3170.5-57.9-174.4179.7-147.40.5115.5
231K42.8Very low42.3Very low174 Ų174161.8 Ų161.876%0.75778%0.776SS**  cis-173.9153.2-13.7-105.1-158.6-175.4-173.60106.3
232F36.1Very low42.4Very low183 Ų183160.8 Ų160.880%0.80377%0.772SS**  trans70.7141.8153.8-125.7-116.7000116.2
233S35.4Very low42.6Very low69 Ų69166.5 Ų166.548%0.48378%0.778SS.*  cis-164.5153.729.7-155.60000110.9
234R40.7Very low42.7Very low201 Ų201164.1 Ų164.176%0.75878%0.779SS**  trans33.5129.5143-71-175.7-81-167.3-3.1118.5
235N35.3Very low42.8Very low133 Ų133169.1 Ų169.171%0.71180%0.803SS**  177.3153.458.7-114-32.9000110.2
236K41.3Very low42.8Very low190 Ų190169.3 Ų169.383%0.82680%0.804SS**  trans57116.1151-70.1-179.8177.1179.50119.5
237E43.7Very low42.9Very low198 Ų198168.2 Ų168.293%0.92581%0.807SS**  -163.3138.3100-119.9168.517300112.2
238M51Low43.2Very low153 Ų153166.9 Ų166.975%0.75481%0.805SS**  trans-89.6131.3-179.5-66.6-97-72.500108.6
239H47.1Very low43.3Very low182 Ų182165.6 Ų165.684%0.84380%0.804SS**  trans-144.388.8151.5-114.357.4000109.3
240L50.7Low42.7Very low157 Ų157170.6 Ų170.682%0.82282%0.819SS**  trans-78.8111.7154.5-9598.8000107.1
241Q44.6Very low42.9Very low174 Ų174166.8 Ų166.881%0.81382%0.817SS**  trans-101.999.2165.7-162.6161.413.400107.4
242S45.4Very low42.9Very low106 Ų106166.3 Ų166.374%0.74182%0.821SS**  trans-164.5101.2167.2-87.60000110.5
243R42.1Very low43.4Very low260 Ų260165 Ų16598%0.98182%0.822SS**  trans170.6118.5132.8-95.9170.7173.1178.7-1.9109.3
244G47.7Very low44.1Very low74 Ų74173 Ų17376%0.76385%0.851SS**  trans167.270.2172.800000111.8
245I39.6Very low44.4Very low248 Ų248170.5 Ų170.5100%1.27286%0.859SS**  trans165.60135.6-76.8155.3000107.1

Retrieved 245 of 245 residues in 135.1 ms (Link to these results)