A0A3Q0KU27_SCHMA Loading...

H/ACA ribonucleoprotein complex non-core subunit NAF1

AlphaFold DB , UniProt , Accession A0A3Q0KU27, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 426 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.2Very low51.1Low243 Ų243137.8 Ų137.8100%1.19779%0.785SS**  0107.70-88.9167.1134.500106.4
2L48.8Very low51.2Low160 Ų160137.3 Ų137.384%0.83879%0.786SS**  trans14.5140.5156.9-57.4161.9000117.6
3D51.7Low50.1Low130 Ų130138.5 Ų138.570%0.69579%0.788SS**  cis-179.7126.1-4.6-117.2-20.6000101
4T50.4Low49.9Very low115 Ų115137.4 Ų137.471%0.70679%0.793SS**  113.5126.977-74.40000112
5A57.6Low49.5Very low77 Ų77135.7 Ų135.764%0.63679%0.793SS**  trans66.2152.1149.900000120.5
6D53.5Low49.7Very low161 Ų161133.9 Ų133.986%0.86179%0.787SS**  cis-168162.6-19.2-104.5-39.5000107.4
7E54Low49.7Very low180 Ų180137.4 Ų137.484%0.84179%0.79SS**  trans-64.9175.5-168.8-89.2-92.1130.900119.4
8P56.5Low49.2Very low98 Ų98137.2 Ų137.264%0.63679%0.786SS**  trans-102171.9-164.540.7-31.6000114.4
9V48Very low49.3Very low144 Ų144139.6 Ų139.687%0.87379%0.792SS**  trans-139.9139.3168.8175.60000113.4
10S49.9Very low49.1Very low89 Ų89139.7 Ų139.762%0.62279%0.79SS**  trans-83169.7-174.563.20000117.3
11T45.5Very low49.2Very low119 Ų119142.9 Ų142.973%0.7380%0.795SS**  trans74.2144.8146.4-26.60000114.7
12V52.8Low49Very low131 Ų131139.1 Ų139.179%0.79478%0.779SS**  cis-168.7147.237.9-151.50000109.1
13N36Very low48.9Very low153 Ų153141.1 Ų141.182%0.81878%0.781SS**  trans-68.2148.9161.5-73.3-38.7000111.5
14S48.1Very low48.5Very low123 Ų123142.2 Ų142.286%0.8679%0.786SS**  trans-177122.6141.8-80.50000112.4
15S42.9Very low48.3Very low112 Ų112145.1 Ų145.178%0.78380%0.796SS**  trans-84.4152.7158.8-170.90000108.8
16P52.8Low47.6Very low108 Ų108146 Ų14670%0.70180%0.798SS**  -157.1154.2103.935.9-15.2000118
17K49.8Very low47Very low192 Ų192149.8 Ų149.884%0.83580%0.8SS**  trans51.7109.6131.6-58.8175-176.6177.10121.7
18N40.9Very low46.7Very low135 Ų135148.4 Ų148.472%0.72280%0.799SS**  53.2117.7113.6-156.8-3.9000119.8
19M51.2Low46.1Very low183 Ų183153.8 Ų153.890%0.90181%0.808SS**  trans-161.2119140.3-92.7-162.974.200111.3
20D44.9Very low46Very low140 Ų140155.4 Ų155.475%0.74981%0.806SS**  trans-65.3141.4170.8-65.1-60.7000113.5
21K50.8Low45.7Very low207 Ų207157.4 Ų157.490%0.981%0.814SS**  trans-157.6116.9145.3-125.9173.5-174.1-177.80114
22L43.9Very low45.5Very low165 Ų165157.2 Ų157.286%0.86482%0.818SS**  trans-43.6144.4168.9-57.1159.4000115.1
23K45.5Very low45.2Very low202 Ų202156.4 Ų156.488%0.87882%0.818SS**  -178.8119.4117.3-103.2176.4179.5-174.80113.5
24L43.5Very low45.8Very low152 Ų152154 Ų15480%0.79681%0.814SS**  trans-11136.9149.1-77.1148.9000117.3
25L46.7Very low45.9Very low176 Ų176153 Ų15392%0.92181%0.806SS**  -165.2113.5128.2-101.6152.4000110.4
26S42.2Very low46.1Very low97 Ų97155 Ų15568%0.67881%0.808SS**  trans-58.6144.2171.8-46.20000112.3
27R42.2Very low46.4Very low240 Ų240157.6 Ų157.691%0.90681%0.814SS**  trans-151113.4151.3-140.6168.5-172.2159.91.2111.7
28N45.7Very low46.2Very low150 Ų150153.7 Ų153.780%0.80281%0.811SS**  trans-63.8142172-56.2-19.8000110.5
29Y45.6Very low46.9Very low212 Ų212152.9 Ų152.983%0.83182%0.816SS**  trans-137.696147.948.8-88000107.9
30E45.2Very low46.8Very low178 Ų178151.5 Ų151.583%0.83281%0.812SS**  trans-70.5124.3154-65.4-179.8159.900107.1
31T43.5Very low47.5Very low130 Ų130150.2 Ų150.280%0.79881%0.814SS**  trans-142.395.9151.336.20000107.5
32S41.2Very low48.1Very low115 Ų115149.3 Ų149.380%0.80481%0.814SS**  trans-51.2131160.2-42.30000110
33S47.5Very low48.9Very low115 Ų115146.6 Ų146.680%0.80481%0.806SS**  trans-144.278.5158.2-172.30000107.8
34S46.9Very low49.1Very low103 Ų103145.9 Ų145.972%0.7281%0.805SS**  trans-76.4125.9160.7580000108.2
35S50.6Low49.6Very low100 Ų100146.1 Ų146.170%0.69981%0.807SS**  trans-128.199.6162.754.40000107.4I37S35-I37 PolarHBondContact O-N 3.44Å
36D46.7Very low50Low156 Ų156144.8 Ų144.883%0.83480%0.799SS**  trans-63.2120.9163.9-62.5-61.1000108.5
37I59.7Low50.6Low161 Ų161148.9 Ų148.983%0.82681%0.808SS**  trans-121.2108.2160.6118.6161.9000106.2S35S35-I37 PolarHBondContact O-N 3.44Å
38S45.1Very low51.4Low110 Ų110145.7 Ų145.777%0.76980%0.8SS**  trans-115.2126.6165.867.20000108
39S56Low51.4Low119 Ų119144 Ų14483%0.83280%0.797SS**  trans170.896158.8-97.30000105.2
40D49.9Very low51.4Low153 Ų153139.8 Ų139.882%0.81879%0.793SS**  51.89465.9-160.925.6000112.9
41S60Low51.5Low113 Ų113138.2 Ų138.279%0.7979%0.789SS**  trans174.896.5153-73.50000109
42E62.5Low51.8Low189 Ų189140.1 Ų140.188%0.88379%0.789SS**  trans-67.9134.1164.6-93.6-154.3140.700110.3
43P60.4Low52.2Low108 Ų108143.1 Ų143.170%0.70179%0.788SS**  trans-81.6119.616030.3-27.9000109.8L45P43-L45 PolarHBondContact O-N 3.11Å
44E50.4Low52Low186 Ų186143 Ų14387%0.86978%0.784SS**  trans-44.9109.9165.1-81.3-179.4141.200110.3I46E44-I46 VanDerWaalsContact C-N 3.32Å; E44-I46 PolarHBondContact O-N 3.01Å
45L54.3Low52.2Low158 Ų158147.5 Ų147.583%0.82779%0.791SS**  trans-7294.3166.1-70.2176.3000107.6P43 E47P43-L45 PolarHBondContact O-N 3.11Å; L45-E47 VanDerWaalsContact C-N 3.29Å; L45-E47 PolarHBondContact O-N 3.4Å
46I54.3Low51.9Low147 Ų147148.9 Ų148.975%0.75479%0.79SS**  trans-55.5102.4156-62170.7000105.9E44 K48E44-I46 VanDerWaalsContact C-N 3.32Å; E44-I46 PolarHBondContact O-N 3.01Å; I46-K48 PolarHBondContact O-N 3.24Å
47E54.4Low52.2Low184 Ų184144.9 Ų144.986%0.8677%0.773SS**  trans-60.288.6172.5-76-173.5158.800108.4L45L45-E47 VanDerWaalsContact C-N 3.29Å; L45-E47 PolarHBondContact O-N 3.4Å
48K59.3Low52.1Low172 Ų172141.4 Ų141.475%0.74877%0.769SS**  trans-57.6132161.1-69.5179.5-180177.20106.1I46 V50I46-K48 PolarHBondContact O-N 3.24Å; K48-V50 PolarHBondContact O-N 3.25Å
49P45.5Very low53.1Low114 Ų114142.3 Ų142.374%0.7476%0.759SS**  trans-55.7114.1176.623.4-31.7000107.3I51P49-I51 PolarHBondContact O-N 3.34Å
50V45.8Very low53.9Low124 Ų124142.9 Ų142.975%0.75275%0.752SS**  trans-68.287.6173.5179.80000105.5K48 Q52K48-V50 PolarHBondContact O-N 3.25Å; V50-Q52 HydrophobicContact CG1-CG 4.09Å; V50-Q52 PolarHBondContact O-N 3.24Å
51I47.8Very low55.3Low145 Ų145137.5 Ų137.574%0.74472%0.723SS**  trans-62.595.9160.5-61.7172.8000103.9P49 K53P49-I51 PolarHBondContact O-N 3.34Å; I51-K53 VanDerWaalsContact C-N 3.25Å; I51-K53 PolarHBondContact O-N 3.05Å
52Q49.2Very low56.4Low171 Ų171134.6 Ų134.680%0.79970%0.701SS**  trans-6197.8169.3-64.7-177.823.900105.4V50V50-Q52 HydrophobicContact CG1-CG 4.09Å; V50-Q52 PolarHBondContact O-N 3.24Å
53K50.3Low57.1Low178 Ų178132.3 Ų132.377%0.77470%0.703SS**  trans-50.3134.5161.9-81.7-177175.6-178.70106.1I51 K55I51-K53 VanDerWaalsContact C-N 3.25Å; I51-K53 PolarHBondContact O-N 3.05Å; K53-K55 PolarHBondContact O-N 3.17Å
54P43.9Very low58.2Low113 Ų113133 Ų13373%0.73470%0.7SS**  trans-51.5117.6173.822-30.6000106.6D56P54-D56 PolarHBondContact O-N 3.05Å
55K49.5Very low59.8Low196 Ų196126.9 Ų126.985%0.85267%0.67SS**  trans-58.1111.4170.4-106.8164.5176.5168.80104.4K53K53-K55 PolarHBondContact O-N 3.17Å
56D45.5Very low61.3Low129 Ų129125.9 Ų125.969%0.6966%0.664SS**  trans-46.2132.3170.9-64.7-41.9000107P54 A58P54-D56 PolarHBondContact O-N 3.05Å; D56-A58 PolarHBondContact O-N 2.96Å
57P52.5Low62.9Low72 Ų72121 Ų12147%0.46864%0.639SS.*  trans-53121.7177.423.3-31.7000106.2F59 L60P57-F59 CarbonylContact O-C 3.59Å; P57-F59 PolarHBondContact O-N 3.44Å; P57-L60 HydrophobicContact CG-CD2 4.02Å; P57-L60 HydrophobicContact CG-CG 4.37Å
58A57.7Low64.3Low89 Ų89115.5 Ų115.574%0.73661%0.613SS**SBendtrans-59.90.1-171.400000114D56D56-A58 PolarHBondContact O-N 2.96Å
59F66.6Low65.5Low128 Ų128113.7 Ų113.756%0.56162%0.622SS**  trans-136.591.2179.1-52.9-80.2000107.6P57P57-F59 CarbonylContact O-C 3.59Å; P57-F59 PolarHBondContact O-N 3.44Å
60L71.8Confident67.5Low131 Ų131109.7 Ų109.769%0.68660%0.596SS**  trans-91108.4166-76.8165.6000107.2P57P57-L60 HydrophobicContact CG-CD2 4.02Å; P57-L60 HydrophobicContact CG-CG 4.37Å
61I80Confident69.6Low41 Ų41112.8 Ų112.821%0.2160%0.599CS.*  trans-61.7130.5167.7-66154.3000107.1Y65 Y92 Y122 I136I61-Y65 HydrophobicContact CG2-CG 4.2Å; I61-Y92 HydrophobicContact CD1-CD1 3.87Å; I61-Y92 HydrophobicContact CD1-CG 4.31Å; I61-Y122 HydrophobicContact CB-CE2 4.49Å; I61-Y122 HydrophobicContact CG1-CD1 4.29Å; I61-Y122 HydrophobicContact CG1-CD2 4.41Å; I61-Y122 HydrophobicContact CG1-CE1 4.13Å; I61-Y122 HydrophobicContact CG1-CE2 4.25Å; I61-Y122 HydrophobicContact CG1-CG 4.41Å; I61-Y122 HydrophobicContact CG2-CD2 4.34Å; I61-Y122 HydrophobicContact CG2-CE2 3.97Å; I61-I136 HydrophobicContact CD1-CD1 3.98Å; I61-I136 HydrophobicContact CD1-CG1 3.73Å; I61-I136 HydrophobicContact CG1-CD1 4.23Å; I61-I136 HydrophobicContact CG1-CG1 4.47Å; I61-I136 HydrophobicContact CG2-CD1 3.64Å
62P83.3Confident71.6Confident52 Ų52110.3 Ų110.334%0.33859%0.587SS.*  trans-52.4132.7176.6-26.933.6000110.9D64 Y65 Y122P62-D64 WeakPolarHBondContact CB-OD1 3.33Å; P62-D64 PolarHBondContact O-N 3.41Å; P62-D64 VanDerWaalsContact O-N 3.13Å; P62-Y65 VanDerWaalsContact O-CB 3.32Å; P62-Y65 WeakPolarHBondContact O-CB 3.37Å; P62-Y65 PolarHBondContact O-N 3.38Å; P62-Y122 WeakPolarHBondContact CD-OH 3.36Å
63P77.2Confident73.6Confident141 Ų141103.3 Ų103.392%0.91656%0.555SS**THydrogen-bonded Turntrans-64.7-18.5-176.427.3-34.9000113
64D82.7Confident75.4Confident122 Ų12298.9 Ų98.965%0.65254%0.543SS*.THydrogen-bonded Turntrans-91.19.9175.962.7-34.3000113.5P62 I66P62-D64 WeakPolarHBondContact CB-OD1 3.33Å; P62-D64 PolarHBondContact O-N 3.41Å; P62-D64 VanDerWaalsContact O-N 3.13Å; D64-I66 WeakPolarHBondContact O-CG1 3.18Å; D64-I66 PolarHBondContact O-N 3.25Å; D64-I66 VanDerWaalsContact O-N 3.14Å
65Y83.5Confident77.3Confident58 Ų5899 Ų9923%0.22755%0.554CS.*  trans-63.4115.9174.6-168.7-84.5000110.9I61 P62 L67 E120 Y122 I136I61-Y65 HydrophobicContact CG2-CG 4.2Å; P62-Y65 VanDerWaalsContact O-CB 3.32Å; P62-Y65 WeakPolarHBondContact O-CB 3.37Å; P62-Y65 PolarHBondContact O-N 3.38Å; Y65-L67 HydrophobicContact CD1-CD2 4.37Å; Y65-L67 HydrophobicContact CD1-CG 4.47Å; Y65-L67 HydrophobicContact CE1-CD2 3.88Å; Y65-L67 HydrophobicContact CE1-CG 4.38Å; Y65-E120 PolarHBondContact OH-OE1 3.39Å; Y65-Y122 AromaticContact CD2-CD2 3.78Å; Y65-Y122 HydrophobicContact CD2-CD2 3.78Å; Y65-Y122 AromaticContact CD2-CE2 3.66Å; Y65-Y122 HydrophobicContact CD2-CE2 3.66Å; Y65-Y122 AromaticContact CE2-CD2 3.46Å; Y65-Y122 HydrophobicContact CE2-CD2 3.46Å; Y65-Y122 VanDerWaalsContact CE2-CD2 3.46Å; Y65-Y122 AromaticContact CE2-CE2 3.72Å; Y65-Y122 HydrophobicContact CE2-CE2 3.72Å; Y65-I136 HydrophobicContact CD1-CD1 3.49Å; Y65-I136 VanDerWaalsContact CD1-CD1 3.49Å; Y65-I136 HydrophobicContact CD2-CD1 4.26Å; Y65-I136 HydrophobicContact CE1-CD1 3.58Å; Y65-I136 HydrophobicContact CE2-CD1 4.31Å; Y65-I136 HydrophobicContact CG-CD1 3.86Å
66I86.5Confident79.2Confident137 Ų13796 Ų9670%0.70355%0.547SS*.PPolyproline II helixtrans-98.2118.2179.3-55.4176.2000109D64D64-I66 WeakPolarHBondContact O-CG1 3.18Å; D64-I66 PolarHBondContact O-N 3.25Å; D64-I66 VanDerWaalsContact O-N 3.14Å
67L87.9Confident81.3Confident45 Ų4592 Ų9224%0.23653%0.526CS..PPolyproline II helixtrans-72.4144.6171.7-71.8168.3000111.3Y65 S69 E120 I136 L137Y65-L67 HydrophobicContact CD1-CD2 4.37Å; Y65-L67 HydrophobicContact CD1-CG 4.47Å; Y65-L67 HydrophobicContact CE1-CD2 3.88Å; Y65-L67 HydrophobicContact CE1-CG 4.38Å; L67-S69 PolarHBondContact O-N 2.91Å; L67-E120 HydrophobicContact CD2-CB 3.55Å; L67-I136 HydrophobicContact CD1-CG2 4.04Å; L67-I136 HydrophobicContact CD2-CB 4.02Å; L67-I136 HydrophobicContact CD2-CG2 3.86Å; L67-I136 HydrophobicContact CG-CG2 4.22Å; L67-L137 WeakPolarHBondContact CD1-O 3.33Å
68Q84.3Confident83.2Confident68 Ų6894.8 Ų94.832%0.31853%0.53SS..PPolyproline II helixtrans-64133.2168.6-64.4-177.71.800110.7V70 E120Q68-V70 HydrophobicContact CB-CG2 3.89Å; Q68-V70 PolarHBondContact O-N 2.89Å; Q68-V70 VanDerWaalsContact O-N 3.16Å; Q68-E120 PolarHBondContact N-OE2 3.43Å
69S83.4Confident84.8Confident133 Ų13392.9 Ų92.993%0.9351%0.509SS*.  trans-78.2100.9172.5-171.20000109.2L67L67-S69 PolarHBondContact O-N 2.91Å
70V88.8Confident86.1Confident31 Ų3188.2 Ų88.219%0.18849%0.493CS..  trans-115.8137.7-177.1-175.20000109.8Q68 V109 F111 L237Q68-V70 HydrophobicContact CB-CG2 3.89Å; Q68-V70 PolarHBondContact O-N 2.89Å; Q68-V70 VanDerWaalsContact O-N 3.16Å; V70-V109 HydrophobicContact CB-CG1 4.39Å; V70-V109 HydrophobicContact CG1-CG1 4.14Å; V70-V109 HydrophobicContact CG2-CG1 4.25Å; V70-V109 HydrophobicContact CG2-CG2 3.97Å; V70-F111 HydrophobicContact CG1-CE1 4.29Å; V70-F111 HydrophobicContact CG1-CZ 4.07Å; V70-L237 HydrophobicContact CG1-CD1 4.44Å; V70-L237 HydrophobicContact CG1-CD2 3.8Å; V70-L237 HydrophobicContact CG2-CD2 3.92Å
71K88.7Confident87.2Confident189 Ų18985.9 Ų85.982%0.82248%0.48SS*.PPolyproline II helixtrans-81.4153.6173.4-66.3179.4-178.5175.90110.1
72D90.4Very high87.9Confident92 Ų9284.1 Ų84.149%0.49247%0.471SS..PPolyproline II helixtrans-58.4146.1169.7-64.1-28.9000110.3H117D72-H117 WeakPolarHBondContact OD1-CB 3.45Å; D72-H117 PolarHBondContact OD1-N 2.96Å
73L90.3Very high88.4Confident24 Ų2481.6 Ų81.613%0.12646%0.455CS..PPolyproline II helixtrans-71.1140.1-179.6-64175.2000110.6I77 V79 F111 G115 A231 L237L73-I77 HydrophobicContact CB-CD1 4.31Å; L73-I77 HydrophobicContact CD2-CB 4.5Å; L73-I77 HydrophobicContact CD2-CD1 3.65Å; L73-I77 HydrophobicContact CD2-CG2 4.22Å; L73-V79 HydrophobicContact CD1-CG1 3.41Å; L73-V79 VanDerWaalsContact CD1-CG1 3.41Å; L73-F111 HydrophobicContact CD1-CB 4.03Å; L73-F111 HydrophobicContact CD1-CD1 3.64Å; L73-F111 HydrophobicContact CD1-CD2 3.52Å; L73-F111 HydrophobicContact CD1-CE1 3.93Å; L73-F111 HydrophobicContact CD1-CE2 3.81Å; L73-F111 HydrophobicContact CD1-CG 3.42Å; L73-F111 VanDerWaalsContact CD1-CG 3.42Å; L73-F111 HydrophobicContact CD1-CZ 4Å; L73-F111 HydrophobicContact CD2-CD1 4.44Å; L73-F111 HydrophobicContact CD2-CE1 3.91Å; L73-F111 HydrophobicContact CD2-CE2 4.15Å; L73-F111 HydrophobicContact CD2-CZ 3.74Å; L73-F111 HydrophobicContact CG-CD1 3.56Å; L73-F111 HydrophobicContact CG-CD2 4.19Å; L73-F111 HydrophobicContact CG-CE1 3.49Å; L73-F111 VanDerWaalsContact CG-CE1 3.49Å; L73-F111 HydrophobicContact CG-CE2 4.11Å; L73-F111 HydrophobicContact CG-CG 3.92Å; L73-F111 HydrophobicContact CG-CZ 3.76Å; L73-G115 PolarHBondContact N-O 3.1Å; L73-A231 HydrophobicContact CD1-CB 4.37Å; L73-L237 HydrophobicContact CD2-CD1 4.43Å
74T88.7Confident89.3Confident85 Ų8578.9 Ų78.952%0.52143%0.429SS..PPolyproline II helixtrans-76.5152.3167.845.70000110.2D76 I77T74-D76 VanDerWaalsContact C-OD1 3.3Å; T74-D76 WeakPolarHBondContact CB-OD1 3.38Å; T74-D76 PolarHBondContact O-N 3.16Å; T74-D76 PolarHBondContact OG1-OD1 3.2Å; T74-I77 PolarHBondContact O-N 3.33Å; T74-I77 VanDerWaalsContact O-N 3.11Å
75A84.6Confident89.9Confident117 Ų11773.2 Ų73.297%0.96740%0.399SS*.THydrogen-bonded Turntrans-66.1-8-171.500000115.1
76D88Confident90.3Very high132 Ų13271.5 Ų71.571%0.70640%0.395SS*.THydrogen-bonded Turntrans-83.5-18.7175.960.1-35000113.4T74T74-D76 VanDerWaalsContact C-OD1 3.3Å; T74-D76 WeakPolarHBondContact CB-OD1 3.38Å; T74-D76 PolarHBondContact O-N 3.16Å; T74-D76 PolarHBondContact OG1-OD1 3.2Å
77I90Very high90.5Very high46 Ų4669.7 Ų69.724%0.23638%0.383CS..SBendtrans-80.4127.5-176.9-58.4171.6000110L73 T74 V79 A231 M234L73-I77 HydrophobicContact CB-CD1 4.31Å; L73-I77 HydrophobicContact CD2-CB 4.5Å; L73-I77 HydrophobicContact CD2-CD1 3.65Å; L73-I77 HydrophobicContact CD2-CG2 4.22Å; T74-I77 PolarHBondContact O-N 3.33Å; T74-I77 VanDerWaalsContact O-N 3.11Å; I77-V79 PolarHBondContact O-N 3.01Å; I77-A231 HydrophobicContact CG2-CB 4.35Å; I77-M234 HydrophobicContact CG2-CG 4.37Å
78K91.5Very high90.5Very high129 Ų12967.9 Ų67.956%0.56138%0.375SS*.  trans-71.8119.5176.4-175.2-176.8176-171.80110.5P232 D233K78-P232 WeakPolarHBondContact O-CD 3.29Å; K78-D233 WeakPolarHBondContact CB-OD2 3.18Å
79V92.4Very high90.6Very high50 Ų5068 Ų6830%0.30337%0.374SS..  trans-105148.7171.7-63.70000111.2L73 I77 F229 Y230L73-V79 HydrophobicContact CD1-CG1 3.41Å; L73-V79 VanDerWaalsContact CD1-CG1 3.41Å; I77-V79 PolarHBondContact O-N 3.01Å; V79-F229 HydrophobicContact CB-CB 4.02Å; V79-F229 HydrophobicContact CB-CD1 4.49Å; V79-F229 HydrophobicContact CG2-CB 4.36Å; V79-F229 HydrophobicContact CG2-CD1 4.12Å; V79-F229 HydrophobicContact CG2-CG 4.39Å; V79-Y230 CarbonylContact C-O 3.5Å; V79-Y230 WeakPolarHBondContact CA-O 3.36Å
80S93.7Very high90.5Very high30 Ų3067.3 Ų67.321%0.2136%0.36CS..EExtended strand (participates in β ladder)trans-122.7139.5178.1-70.80000110.7L82 F229 Y230S80-L82 PolarHBondContact O-N 3.5Å; S80-F229 CarbonylContact O-C 3.52Å; S80-F229 WeakPolarHBondContact O-CA 3.21Å; S80-F229 WeakPolarHBondContact O-CB 3.49Å; S80-Y230 VanDerWaalsContact CB-CE1 3.41Å; S80-Y230 VanDerWaalsContact CB-CZ 3.49Å; S80-Y230 PolarHBondContact N-O 2.86Å; S80-Y230 WeakPolarHBondContact O-CD1 3.5Å; S80-Y230 PolarHBondContact O-N 3.42Å
81L94.7Very high90.3Very high82 Ų8273.5 Ų73.543%0.42938%0.384SS..EExtended strand (participates in β ladder)trans-69123.4-177.9-179.761.2000110.6I98 F229L81-I98 HydrophobicContact CD1-CD1 4.04Å; L81-I98 HydrophobicContact CD2-CD1 3.24Å; L81-I98 HydrophobicContact CD2-CG1 4.5Å; L81-I98 HydrophobicContact CG-CD1 3.43Å; L81-I98 VanDerWaalsContact CG-CD1 3.43Å; L81-I98 HydrophobicContact CG-CG1 4.31Å; L81-F229 HydrophobicContact CB-CD1 4.11Å; L81-F229 HydrophobicContact CB-CE1 3.96Å; L81-F229 HydrophobicContact CD1-CD1 4.3Å; L81-F229 HydrophobicContact CD1-CE1 3.88Å; L81-F229 HydrophobicContact CD1-CE2 4.4Å; L81-F229 HydrophobicContact CD1-CZ 3.94Å; L81-F229 HydrophobicContact CG-CE1 4.49Å
82L94.7Very high90.4Very high3 Ų367.2 Ų67.22%0.01636%0.356CS..EExtended strand (participates in β ladder)trans-94.8-46.7179-176.663.3000112S80 S97 I98 L104 L110 Y133 V228 Y230S80-L82 PolarHBondContact O-N 3.5Å; L82-S97 VanDerWaalsContact O-CA 3.31Å; L82-S97 WeakPolarHBondContact O-CA 3.48Å; L82-S97 PolarHBondContact O-OG 2.87Å; L82-I98 PolarHBondContact O-N 2.91Å; L82-L104 HydrophobicContact CD1-CD1 3.74Å; L82-L104 HydrophobicContact CD1-CG 4.02Å; L82-L104 HydrophobicContact CD2-CD1 3.68Å; L82-L104 HydrophobicContact CG-CD1 4.33Å; L82-L110 HydrophobicContact CD2-CD1 3.87Å; L82-L110 HydrophobicContact CD2-CD2 3.56Å; L82-L110 HydrophobicContact CD2-CG 4.39Å; L82-Y133 HydrophobicContact CD1-CE2 3.68Å; L82-Y133 HydrophobicContact CD2-CD2 3.9Å; L82-Y133 HydrophobicContact CD2-CE2 3.8Å; L82-Y133 HydrophobicContact CG-CD2 4.25Å; L82-Y133 HydrophobicContact CG-CE2 3.77Å; L82-V228 WeakPolarHBondContact CB-O 3.26Å; L82-V228 PolarHBondContact N-O 3.46Å; L82-Y230 HydrophobicContact CB-CD1 3.96Å; L82-Y230 HydrophobicContact CD1-CD1 4.17Å; L82-Y230 HydrophobicContact CD1-CE1 4.49Å
83G95.1Very high90.6Very high0 Ų062.9 Ų62.90%033%0.333CS..EExtended strand (participates in β ladder)trans-177.2-179.9-154.100000114.1R96 V228G83-R96 CarbonylContact C-O 3.49Å; G83-R96 WeakPolarHBondContact CA-O 3.11Å; G83-V228 PolarHBondContact N-O 3.16Å; G83-V228 PolarHBondContact O-N 2.97Å
84K94.9Very high90.8Very high84 Ų8462.3 Ų62.337%0.36533%0.33SS..EExtended strand (participates in β ladder)trans-125.3143170.9-69.5-172.4175.1-1680110.5S86 R96 E225 V226K84-S86 PolarHBondContact O-N 3.36Å; K84-R96 PolarHBondContact N-O 3.49Å; K84-R96 PolarHBondContact O-N 3.08Å; K84-E225 HydrophobicContact CD-CB 4.38Å; K84-V226 WeakPolarHBondContact CA-O 3.25Å
85I94.7Very high91.1Very high3 Ų358.3 Ų58.32%0.01531%0.305CS..EExtended strand (participates in β ladder)trans-64.1122.6174.5-58.8-179.3000109.3V88 V93 I95 L223 E225 V226 V228I85-V88 HydrophobicContact CG2-CG2 3.54Å; I85-V93 HydrophobicContact CG2-CB 4.36Å; I85-I95 HydrophobicContact CG1-CG1 4.41Å; I85-L223 WeakPolarHBondContact CB-O 3.15Å; I85-E225 PolarHBondContact O-N 2.98Å; I85-V226 HydrophobicContact CD1-CB 4.13Å; I85-V226 HydrophobicContact CG1-CB 4.48Å; I85-V226 PolarHBondContact N-O 3.03Å; I85-V228 HydrophobicContact CD1-CG2 4.14Å; I85-V228 HydrophobicContact CG1-CG2 3.67Å
86S92.1Very high91.6Very high22 Ų2258.5 Ų58.515%0.15428%0.281CS..EExtended strand (participates in β ladder)trans-98.2-40.3179.3-172.60000112.4K84 V94 R96K84-S86 PolarHBondContact O-N 3.36Å; S86-V94 PolarHBondContact N-O 3.23Å; S86-R96 PolarHBondContact OG-NH2 2.99Å
87Q90.5Very high91.9Very high98 Ų9852.4 Ų52.446%0.45825%0.249SC..EExtended strand (participates in β ladder)trans-140.6146.2179.5-54.1-174.528.400109.9F89 V93 V94Q87-F89 HydrophobicContact CB-CE2 3.78Å; Q87-F89 HydrophobicContact CB-CZ 4.23Å; Q87-V93 WeakPolarHBondContact O-CA 3.28Å; Q87-V94 HydrophobicContact CB-CB 4.11Å; Q87-V94 HydrophobicContact CB-CG2 4.45Å; Q87-V94 PolarHBondContact N-O 3.14Å; Q87-V94 PolarHBondContact O-N 3.38Å
88V88.9Confident91.9Very high8 Ų853.8 Ų53.85%0.04826%0.256CS..EExtended strand (participates in β ladder)trans-124.6129.4179.4179.50000108.5I85 V93 V143 N220 L223I85-V88 HydrophobicContact CG2-CG2 3.54Å; V88-V93 HydrophobicContact CB-CG1 4.36Å; V88-V93 HydrophobicContact CG1-CG1 4.12Å; V88-V93 HydrophobicContact CG2-CG1 4.12Å; V88-V143 HydrophobicContact CG1-CG1 4.43Å; V88-V143 HydrophobicContact CG1-CG2 4.28Å; V88-N220 HydrophobicContact CB-CB 4.3Å; V88-N220 WeakPolarHBondContact CG1-OD1 3.37Å; V88-N220 PolarHBondContact O-ND2 3.46Å; V88-L223 HydrophobicContact CG1-CD1 4.03Å; V88-L223 HydrophobicContact CG2-CB 3.74Å; V88-L223 HydrophobicContact CG2-CD1 4.16Å
89F85.6Confident90.8Very high69 Ų6954.4 Ų54.430%0.30327%0.266SS..  trans-119.1177.4173.9-56.2-92.1000109.4Q87 K91 Y92 V94Q87-F89 HydrophobicContact CB-CE2 3.78Å; Q87-F89 HydrophobicContact CB-CZ 4.23Å; F89-K91 PolarHBondContact O-N 3.14Å; F89-Y92 CarbonylContact C-O 3.59Å; F89-Y92 WeakPolarHBondContact CA-O 3.15Å; F89-Y92 HydrophobicContact CB-CD1 4.38Å; F89-Y92 HydrophobicContact CB-CD2 3.79Å; F89-Y92 HydrophobicContact CB-CE1 4.19Å; F89-Y92 HydrophobicContact CB-CE2 3.61Å; F89-Y92 HydrophobicContact CB-CG 4.19Å; F89-Y92 VanDerWaalsContact CB-O 3.27Å; F89-Y92 WeakPolarHBondContact CB-O 3.25Å; F89-Y92 AromaticContact CD1-CE2 3.88Å; F89-Y92 HydrophobicContact CD1-CE2 3.88Å; F89-Y92 AromaticContact CD2-CD2 3.4Å; F89-Y92 HydrophobicContact CD2-CD2 3.4Å; F89-Y92 AromaticContact CD2-CE2 3.19Å; F89-Y92 HydrophobicContact CD2-CE2 3.19Å; F89-Y92 HydrophobicContact CD2-CG 4.49Å; F89-Y92 HydrophobicContact CE1-CE2 4.34Å; F89-Y92 HydrophobicContact CE2-CD2 4.15Å; F89-Y92 AromaticContact CE2-CE2 3.73Å; F89-Y92 HydrophobicContact CE2-CE2 3.73Å; F89-Y92 AromaticContact CG-CD2 3.75Å; F89-Y92 HydrophobicContact CG-CD2 3.75Å; F89-Y92 AromaticContact CG-CE2 3.27Å; F89-Y92 HydrophobicContact CG-CE2 3.27Å; F89-Y92 AromaticContact CG-CZ 3.76Å; F89-Y92 HydrophobicContact CZ-CE2 4.27Å; F89-Y92 PolarHBondContact N-O 3.41Å; F89-V94 HydrophobicContact CE2-CG2 3.91Å
90D81.4Confident89.5Confident120 Ų12053.2 Ų53.264%0.64226%0.259SS*.SBendtrans-65.6-35.5-174.4-69.1-19.8000112.8K216D90-K216 IonicContact OD1-NZ 3.16Å; D90-K216 PolarHBondContact OD1-NZ 2.82Å; D90-K216 IonicContact OD2-NZ 2.84Å; D90-K216 PolarHBondContact OD2-NZ 3.27Å
91K86.4Confident88.6Confident161 Ų16156.1 Ų56.170%0.729%0.285SS*.SBendtrans-120.1-11.4-177.1-65.7-168.2177.1-1690115.1F89 L137F89-K91 PolarHBondContact O-N 3.14Å; K91-L137 PolarHBondContact O-N 3.33Å
92Y90.8Very high88.3Confident57 Ų5754.6 Ų54.622%0.22428%0.279CS..EExtended strand (participates in β ladder)trans-146.1160.5-174.253.5-91.5000110.8I61 F89 L134 V135I61-Y92 HydrophobicContact CD1-CD1 3.87Å; I61-Y92 HydrophobicContact CD1-CG 4.31Å; F89-Y92 CarbonylContact C-O 3.59Å; F89-Y92 WeakPolarHBondContact CA-O 3.15Å; F89-Y92 HydrophobicContact CB-CD1 4.38Å; F89-Y92 HydrophobicContact CB-CD2 3.79Å; F89-Y92 HydrophobicContact CB-CE1 4.19Å; F89-Y92 HydrophobicContact CB-CE2 3.61Å; F89-Y92 HydrophobicContact CB-CG 4.19Å; F89-Y92 VanDerWaalsContact CB-O 3.27Å; F89-Y92 WeakPolarHBondContact CB-O 3.25Å; F89-Y92 AromaticContact CD1-CE2 3.88Å; F89-Y92 HydrophobicContact CD1-CE2 3.88Å; F89-Y92 AromaticContact CD2-CD2 3.4Å; F89-Y92 HydrophobicContact CD2-CD2 3.4Å; F89-Y92 AromaticContact CD2-CE2 3.19Å; F89-Y92 HydrophobicContact CD2-CE2 3.19Å; F89-Y92 HydrophobicContact CD2-CG 4.49Å; F89-Y92 HydrophobicContact CE1-CE2 4.34Å; F89-Y92 HydrophobicContact CE2-CD2 4.15Å; F89-Y92 AromaticContact CE2-CE2 3.73Å; F89-Y92 HydrophobicContact CE2-CE2 3.73Å; F89-Y92 AromaticContact CG-CD2 3.75Å; F89-Y92 HydrophobicContact CG-CD2 3.75Å; F89-Y92 AromaticContact CG-CE2 3.27Å; F89-Y92 HydrophobicContact CG-CE2 3.27Å; F89-Y92 AromaticContact CG-CZ 3.76Å; F89-Y92 HydrophobicContact CZ-CE2 4.27Å; F89-Y92 PolarHBondContact N-O 3.41Å; Y92-L134 HydrophobicContact CD2-CD1 3.44Å; Y92-L134 VanDerWaalsContact CD2-CD1 3.44Å; Y92-L134 HydrophobicContact CE2-CD1 4.15Å; Y92-L134 HydrophobicContact CG-CD1 4.01Å; Y92-V135 CarbonylContact C-O 3.59Å; Y92-V135 WeakPolarHBondContact CA-O 3.31Å; Y92-V135 WeakPolarHBondContact CB-O 3.48Å
93V93.2Very high88.1Confident0 Ų055.5 Ų55.50%029%0.285CS..EExtended strand (participates in β ladder)trans-129.5151.5176.7-630000109.8I85 Q87 V88 I95 V135 L137I85-V93 HydrophobicContact CG2-CB 4.36Å; Q87-V93 WeakPolarHBondContact O-CA 3.28Å; V88-V93 HydrophobicContact CB-CG1 4.36Å; V88-V93 HydrophobicContact CG1-CG1 4.12Å; V88-V93 HydrophobicContact CG2-CG1 4.12Å; V93-I95 HydrophobicContact CG2-CD1 4.44Å; V93-I95 HydrophobicContact CG2-CG1 4.16Å; V93-V135 HydrophobicContact CG2-CB 3.86Å; V93-V135 HydrophobicContact CG2-CG1 4.32Å; V93-V135 PolarHBondContact N-O 2.83Å; V93-V135 PolarHBondContact O-N 3.16Å; V93-L137 HydrophobicContact CB-CD2 4.48Å; V93-L137 HydrophobicContact CG1-CD1 4.02Å; V93-L137 HydrophobicContact CG1-CD2 3.79Å; V93-L137 HydrophobicContact CG1-CG 4.12Å; V93-L137 HydrophobicContact CG2-CD2 3.91Å
94V94.8Very high88.1Confident13 Ų1355.5 Ų55.58%0.07929%0.285CS..EExtended strand (participates in β ladder)trans-104.9121.9170.8176.40000107.9S86 Q87 F89 F125 F132 Y133 L134S86-V94 PolarHBondContact N-O 3.23Å; Q87-V94 HydrophobicContact CB-CB 4.11Å; Q87-V94 HydrophobicContact CB-CG2 4.45Å; Q87-V94 PolarHBondContact N-O 3.14Å; Q87-V94 PolarHBondContact O-N 3.38Å; F89-V94 HydrophobicContact CE2-CG2 3.91Å; V94-F125 HydrophobicContact CG1-CZ 3.92Å; V94-F132 HydrophobicContact CG1-CB 4.4Å; V94-F132 HydrophobicContact CG1-CD1 3.99Å; V94-Y133 CarbonylContact C-O 3.6Å; V94-Y133 WeakPolarHBondContact CA-O 3.42Å; V94-L134 HydrophobicContact CG2-CD1 4.27Å
95I95.6Very high87.9Confident0 Ų054.9 Ų54.90%029%0.285CS..EExtended strand (participates in β ladder)trans-106.4131.4178.6-55.5179000108.1I85 V93 L110 L118 F132 Y133 V135 V228I85-I95 HydrophobicContact CG1-CG1 4.41Å; V93-I95 HydrophobicContact CG2-CD1 4.44Å; V93-I95 HydrophobicContact CG2-CG1 4.16Å; I95-L110 HydrophobicContact CD1-CD1 3.48Å; I95-L110 VanDerWaalsContact CD1-CD1 3.48Å; I95-L118 HydrophobicContact CD1-CD2 4.18Å; I95-F132 CarbonylContact O-C 3.45Å; I95-F132 WeakPolarHBondContact O-CA 3.32Å; I95-Y133 HydrophobicContact CB-CD2 4.5Å; I95-Y133 PolarHBondContact N-O 3.27Å; I95-Y133 PolarHBondContact O-N 3.27Å; I95-V135 HydrophobicContact CD1-CB 4.41Å; I95-V135 HydrophobicContact CD1-CG2 3.66Å; I95-V135 HydrophobicContact CG1-CG2 4.16Å; I95-V228 HydrophobicContact CD1-CB 3.99Å; I95-V228 HydrophobicContact CD1-CG1 3.74Å; I95-V228 HydrophobicContact CD1-CG2 3.85Å; I95-V228 HydrophobicContact CG1-CG2 4.46Å; I95-V228 HydrophobicContact CG2-CB 4.47Å
96R95Very high87.9Confident121 Ų12159.8 Ų59.846%0.45731%0.308SS..EExtended strand (participates in β ladder)trans-97.2125.3170.3173.916841.6-143.1-11.2108.5G83 K84 S86 F132G83-R96 CarbonylContact C-O 3.49Å; G83-R96 WeakPolarHBondContact CA-O 3.11Å; K84-R96 PolarHBondContact N-O 3.49Å; K84-R96 PolarHBondContact O-N 3.08Å; S86-R96 PolarHBondContact OG-NH2 2.99Å; R96-F132 HydrophobicContact CB-CD1 3.83Å; R96-F132 HydrophobicContact CB-CE1 3.66Å; R96-F132 HydrophobicContact CB-CZ 4.48Å; R96-F132 HydrophobicContact CG-CD1 4.29Å; R96-F132 HydrophobicContact CG-CE1 3.81Å; R96-F132 HydrophobicContact CG-CZ 4.15Å
97S94.6Very high87.9Confident4 Ų465 Ų653%0.02833%0.325CS..EExtended strand (participates in β ladder)trans-67.4145.3174.2-174.70000112.1L82 S100 P131L82-S97 VanDerWaalsContact O-CA 3.31Å; L82-S97 WeakPolarHBondContact O-CA 3.48Å; L82-S97 PolarHBondContact O-OG 2.87Å; S97-S100 VanDerWaalsContact CB-OG 3.27Å; S97-S100 WeakPolarHBondContact CB-OG 3.25Å; S97-S100 WeakPolarHBondContact OG-CB 3.36Å; S97-S100 PolarHBondContact OG-OG 3.24Å; S97-P131 VanDerWaalsContact CB-O 3.29Å; S97-P131 WeakPolarHBondContact CB-O 3.46Å; S97-P131 PolarHBondContact N-O 2.77Å
98I89.6Confident88.2Confident75 Ų7560.3 Ų60.339%0.38530%0.303SS..SBendtrans-99.8108.3164.938.8169.1000108.7L81 L82 S100L81-I98 HydrophobicContact CD1-CD1 4.04Å; L81-I98 HydrophobicContact CD2-CD1 3.24Å; L81-I98 HydrophobicContact CD2-CG1 4.5Å; L81-I98 HydrophobicContact CG-CD1 3.43Å; L81-I98 VanDerWaalsContact CG-CD1 3.43Å; L81-I98 HydrophobicContact CG-CG1 4.31Å; L82-I98 PolarHBondContact O-N 2.91Å; I98-S100 PolarHBondContact O-N 3.33Å
99N67.4Low88.5Confident143 Ų14360 Ų6077%0.76530%0.301SS*.SBendtrans41.364.2175.2-64.9-18.3000113.5A101N99-A101 PolarHBondContact O-N 3.1Å
100S66Low89Confident24 Ų2456.7 Ų56.717%0.16829%0.286CS..  trans-59.5108.2-179.7-89.70000111.2S97 I98 V102S97-S100 VanDerWaalsContact CB-OG 3.27Å; S97-S100 WeakPolarHBondContact CB-OG 3.25Å; S97-S100 WeakPolarHBondContact OG-CB 3.36Å; S97-S100 PolarHBondContact OG-OG 3.24Å; I98-S100 PolarHBondContact O-N 3.33Å; S100-V102 WeakPolarHBondContact CB-O 3.3Å; S100-V102 PolarHBondContact OG-O 3.08Å
101A75.5Confident89.6Confident92 Ų9251 Ų5176%0.7626%0.256SS*.SBendtrans-69.4-29.2158.900000111.1N99N99-A101 PolarHBondContact O-N 3.1Å
102V87.2Confident89.9Confident50 Ų5044.3 Ų44.330%0.30323%0.228SC..SBendtrans-124.5130.5-179.7-177.80000108.2S100 L104 P240S100-V102 WeakPolarHBondContact CB-O 3.3Å; S100-V102 PolarHBondContact OG-O 3.08Å; V102-L104 HydrophobicContact CG1-CD2 4.18Å; V102-P240 HydrophobicContact CG1-CB 3.89Å
103V91.9Very high89.9Confident21 Ų2149 Ų4913%0.12725%0.251CS..EExtended strand (participates in β ladder)trans-97.3132.6171.3179.60000107.5T124 P131 P240 V241V103-T124 HydrophobicContact CG1-CG2 3.81Å; V103-P131 HydrophobicContact CG1-CG 4.32Å; V103-P131 HydrophobicContact CG2-CG 4.27Å; V103-P240 CarbonylContact O-C 3.6Å; V103-V241 HydrophobicContact CB-CB 4.14Å; V103-V241 HydrophobicContact CG1-CB 4.1Å; V103-V241 HydrophobicContact CG1-CG2 4.27Å; V103-V241 PolarHBondContact O-N 2.86Å
104L93.6Very high89.7Confident0 Ų054.4 Ų54.40%028%0.281CS..EExtended strand (participates in β ladder)trans-92.2145.2178.8-59.3-177.3000111.3L82 V102 L110 T124 Y133 Y230 T238L82-L104 HydrophobicContact CD1-CD1 3.74Å; L82-L104 HydrophobicContact CD1-CG 4.02Å; L82-L104 HydrophobicContact CD2-CD1 3.68Å; L82-L104 HydrophobicContact CG-CD1 4.33Å; V102-L104 HydrophobicContact CG1-CD2 4.18Å; L104-L110 HydrophobicContact CD1-CD2 3.65Å; L104-T124 PolarHBondContact O-OG1 2.83Å; L104-Y133 HydrophobicContact CB-CE1 3.88Å; L104-Y133 PolarHBondContact N-OH 3.37Å; L104-Y230 HydrophobicContact CD1-CG 4.23Å; L104-Y230 HydrophobicContact CD2-CD2 4.34Å; L104-T238 HydrophobicContact CD2-CG2 3.63Å
105N92Very high89.5Confident71 Ų7154.3 Ų54.338%0.3828%0.282SS..PPolyproline II helixtrans-90.9169.8176.7-155.28.8000110.5S108 I239 V241N105-S108 VanDerWaalsContact O-CB 3.29Å; N105-S108 WeakPolarHBondContact O-CB 3.41Å; N105-S108 PolarHBondContact O-N 2.96Å; N105-S108 PolarHBondContact O-OG 3.01Å; N105-I239 HydrophobicContact CB-CB 4.06Å; N105-I239 HydrophobicContact CB-CG2 3.67Å; N105-I239 WeakPolarHBondContact CB-O 3.46Å; N105-I239 PolarHBondContact N-O 2.87Å; N105-V241 HydrophobicContact CB-CG2 3.53Å
106E93Very high89.3Confident106 Ų10657.2 Ų57.250%0.49529%0.294SS..THydrogen-bonded Turntrans-48.9148.9167.3-54.9-179.2-178.600111S108 V121 Y122E106-S108 PolarHBondContact O-N 2.88Å; E106-V121 CarbonylContact C-O 3.57Å; E106-V121 WeakPolarHBondContact CA-O 3.47Å; E106-Y122 WeakPolarHBondContact CG-O 3.03Å
107R93.8Very high89.2Confident132 Ų13251.6 Ų51.650%0.49827%0.274SS..THydrogen-bonded Turntrans67.65.5-176.6-45.2-169.6119.9150.86.4116.3E120 V121 I239R107-E120 WeakPolarHBondContact CA-OE1 3.23Å; R107-E120 HydrophobicContact CB-CG 4.45Å; R107-E120 WeakPolarHBondContact CB-OE1 3.29Å; R107-E120 WeakPolarHBondContact CG-OE1 3.5Å; R107-E120 IonicContact NE-OE1 2.82Å; R107-V121 PolarHBondContact N-O 2.79Å; R107-I239 HydrophobicContact CB-CD1 4.07Å
108S95.4Very high89.1Confident0 Ų051.4 Ų51.40%027%0.272CS..  trans-68.8138.5170.1-59.70000110.5N105 E106 E120 V121 L237 I239N105-S108 VanDerWaalsContact O-CB 3.29Å; N105-S108 WeakPolarHBondContact O-CB 3.41Å; N105-S108 PolarHBondContact O-N 2.96Å; N105-S108 PolarHBondContact O-OG 3.01Å; E106-S108 PolarHBondContact O-N 2.88Å; S108-E120 CarbonylContact O-C 3.57Å; S108-E120 WeakPolarHBondContact O-CA 3.33Å; S108-V121 WeakPolarHBondContact O-CG2 3.03Å; S108-V121 PolarHBondContact O-N 2.58Å; S108-L237 CarbonylContact C-O 3.07Å; S108-L237 VanDerWaalsContact CA-O 3.31Å; S108-L237 WeakPolarHBondContact CA-O 3.42Å; S108-I239 PolarHBondContact OG-N 2.88Å; S108-I239 VanDerWaalsContact OG-N 3.15Å; S108-I239 PolarHBondContact OG-O 3.26Å
109V95.6Very high89.4Confident0 Ų047.9 Ų47.90%025%0.254CS..EExtended strand (participates in β ladder)trans-99.8133.9-175.9177.80000110.3V70 F111 H117 L237V70-V109 HydrophobicContact CB-CG1 4.39Å; V70-V109 HydrophobicContact CG1-CG1 4.14Å; V70-V109 HydrophobicContact CG2-CG1 4.25Å; V70-V109 HydrophobicContact CG2-CG2 3.97Å; V109-F111 HydrophobicContact CB-CE2 4.35Å; V109-F111 HydrophobicContact CB-CZ 4.43Å; V109-F111 HydrophobicContact CG1-CE1 4.19Å; V109-F111 HydrophobicContact CG1-CE2 3.79Å; V109-F111 HydrophobicContact CG1-CZ 3.55Å; V109-H117 WeakPolarHBondContact CG1-CE1 3.35Å; V109-H117 WeakPolarHBondContact CG1-ND1 3.12Å; V109-L237 HydrophobicContact CB-CB 4.22Å; V109-L237 HydrophobicContact CB-CD2 4.14Å; V109-L237 HydrophobicContact CG2-CD2 3.99Å; V109-L237 PolarHBondContact N-O 3.18Å
110L95.7Very high90.7Very high0 Ų041.1 Ų41.10%022%0.218CC..EExtended strand (participates in β ladder)trans-115152.6-176.1-56.5-174.3000112.1L82 I95 L104 L118 G119 V121 V135 V228L82-L110 HydrophobicContact CD2-CD1 3.87Å; L82-L110 HydrophobicContact CD2-CD2 3.56Å; L82-L110 HydrophobicContact CD2-CG 4.39Å; I95-L110 HydrophobicContact CD1-CD1 3.48Å; I95-L110 VanDerWaalsContact CD1-CD1 3.48Å; L104-L110 HydrophobicContact CD1-CD2 3.65Å; L110-L118 HydrophobicContact CB-CD2 4.48Å; L110-L118 WeakPolarHBondContact O-CB 3.4Å; L110-L118 PolarHBondContact O-N 2.77Å; L110-G119 PolarHBondContact N-O 2.89Å; L110-V121 HydrophobicContact CD1-CG2 3.88Å; L110-V121 HydrophobicContact CD2-CG2 4.26Å; L110-V121 HydrophobicContact CG-CG2 3.98Å; L110-V135 HydrophobicContact CD1-CG1 4.33Å; L110-V135 HydrophobicContact CD1-CG2 3.6Å; L110-V228 HydrophobicContact CB-CG1 3.79Å; L110-V228 HydrophobicContact CD1-CG1 3.97Å; L110-V228 HydrophobicContact CG-CG1 4.4Å
111F94.6Very high92.1Very high0 Ų040 Ų400%021%0.21CC..EExtended strand (participates in β ladder)trans-132154.1-174.9-58.3-85.3000111.2V70 L73 V109 G115 K116 H117 V228 F229 A231 L237V70-F111 HydrophobicContact CG1-CE1 4.29Å; V70-F111 HydrophobicContact CG1-CZ 4.07Å; L73-F111 HydrophobicContact CD1-CB 4.03Å; L73-F111 HydrophobicContact CD1-CD1 3.64Å; L73-F111 HydrophobicContact CD1-CD2 3.52Å; L73-F111 HydrophobicContact CD1-CE1 3.93Å; L73-F111 HydrophobicContact CD1-CE2 3.81Å; L73-F111 HydrophobicContact CD1-CG 3.42Å; L73-F111 VanDerWaalsContact CD1-CG 3.42Å; L73-F111 HydrophobicContact CD1-CZ 4Å; L73-F111 HydrophobicContact CD2-CD1 4.44Å; L73-F111 HydrophobicContact CD2-CE1 3.91Å; L73-F111 HydrophobicContact CD2-CE2 4.15Å; L73-F111 HydrophobicContact CD2-CZ 3.74Å; L73-F111 HydrophobicContact CG-CD1 3.56Å; L73-F111 HydrophobicContact CG-CD2 4.19Å; L73-F111 HydrophobicContact CG-CE1 3.49Å; L73-F111 VanDerWaalsContact CG-CE1 3.49Å; L73-F111 HydrophobicContact CG-CE2 4.11Å; L73-F111 HydrophobicContact CG-CG 3.92Å; L73-F111 HydrophobicContact CG-CZ 3.76Å; V109-F111 HydrophobicContact CB-CE2 4.35Å; V109-F111 HydrophobicContact CB-CZ 4.43Å; V109-F111 HydrophobicContact CG1-CE1 4.19Å; V109-F111 HydrophobicContact CG1-CE2 3.79Å; V109-F111 HydrophobicContact CG1-CZ 3.55Å; F111-G115 WeakPolarHBondContact CD1-O 3.32Å; F111-K116 CarbonylContact C-O 3.6Å; F111-K116 VanDerWaalsContact CA-O 3.29Å; F111-K116 WeakPolarHBondContact CA-O 3.43Å; F111-H117 HydrophobicContact CD1-CB 4.29Å; F111-H117 HydrophobicContact CE1-CB 4.1Å; F111-V228 WeakPolarHBondContact O-CG1 3.26Å; F111-F229 PolarHBondContact N-O 2.9Å; F111-F229 PolarHBondContact O-N 3.05Å; F111-A231 HydrophobicContact CE2-CB 4.38Å; F111-L237 HydrophobicContact CE2-CD1 4.3Å; F111-L237 HydrophobicContact CZ-CD1 3.99Å
112L93.1Very high93.1Very high22 Ų2238 Ų3812%0.11518%0.183CC..  trans-83.2174.7167-72-178.3000111.1D114 G115 K116 L118 F141 V226L112-D114 WeakPolarHBondContact CB-OD1 3.47Å; L112-D114 PolarHBondContact O-N 3.04Å; L112-G115 PolarHBondContact O-N 2.9Å; L112-K116 HydrophobicContact CB-CB 4.48Å; L112-K116 PolarHBondContact N-O 2.73Å; L112-L118 HydrophobicContact CD2-CD1 4.37Å; L112-L118 HydrophobicContact CG-CD1 4.43Å; L112-F141 HydrophobicContact CD1-CD2 4.24Å; L112-F141 HydrophobicContact CD1-CE2 3.48Å; L112-F141 VanDerWaalsContact CD1-CE2 3.48Å; L112-F141 HydrophobicContact CD1-CZ 4.28Å; L112-F141 HydrophobicContact CG-CE2 4.44Å; L112-V226 HydrophobicContact CD2-CG1 3.82Å
113E89.9Confident93.4Very high154 Ų15438.6 Ų38.672%0.7218%0.183SC*.THydrogen-bonded Turntrans-60.3-30.4-179.7-168.1170.5-173.900113.2G115 F229E113-G115 PolarHBondContact O-N 3.01Å; E113-F229 HydrophobicContact CB-CD2 4.36Å; E113-F229 HydrophobicContact CB-CE2 3.63Å; E113-F229 HydrophobicContact CB-CZ 4.2Å; E113-F229 HydrophobicContact CG-CE2 4.05Å; E113-F229 HydrophobicContact CG-CZ 4.1Å
114D88.9Confident93.5Very high115 Ų11539.5 Ų39.562%0.61519%0.188SC*.THydrogen-bonded Turntrans-78.73.7176.857.9-8.3000113.5L112 K116L112-D114 WeakPolarHBondContact CB-OD1 3.47Å; L112-D114 PolarHBondContact O-N 3.04Å; D114-K116 PolarHBondContact O-N 3Å; D114-K116 WeakPolarHBondContact OD1-CB 3.45Å; D114-K116 PolarHBondContact OD1-N 2.88Å
115G90.5Very high93.4Very high10 Ų1043.3 Ų43.310%0.10321%0.205CC..SBendtrans77.63-175.600000113.5L73 F111 L112 E113L73-G115 PolarHBondContact N-O 3.1Å; F111-G115 WeakPolarHBondContact CD1-O 3.32Å; L112-G115 PolarHBondContact O-N 2.9Å; E113-G115 PolarHBondContact O-N 3.01Å
116K91.5Very high93.5Very high61 Ų6142.4 Ų42.427%0.26521%0.213SC..  trans-68.9134179.4-172.2175.3-179.3176.30111F111 L112 D114 L118F111-K116 CarbonylContact C-O 3.6Å; F111-K116 VanDerWaalsContact CA-O 3.29Å; F111-K116 WeakPolarHBondContact CA-O 3.43Å; L112-K116 HydrophobicContact CB-CB 4.48Å; L112-K116 PolarHBondContact N-O 2.73Å; D114-K116 PolarHBondContact O-N 3Å; D114-K116 WeakPolarHBondContact OD1-CB 3.45Å; D114-K116 PolarHBondContact OD1-N 2.88Å; K116-L118 PolarHBondContact O-N 3.45Å
117H93.3Very high93.3Very high4 Ų441 Ų412%0.01921%0.212CC..EExtended strand (participates in β ladder)trans-64.1117.7175.8175.965.7000110.6D72 V109 F111 S138D72-H117 WeakPolarHBondContact OD1-CB 3.45Å; D72-H117 PolarHBondContact OD1-N 2.96Å; V109-H117 WeakPolarHBondContact CG1-CE1 3.35Å; V109-H117 WeakPolarHBondContact CG1-ND1 3.12Å; F111-H117 HydrophobicContact CD1-CB 4.29Å; F111-H117 HydrophobicContact CE1-CB 4.1Å; H117-S138 WeakPolarHBondContact CD2-CB 3.38Å; H117-S138 PolarHBondContact CD2-OG 2.83Å; H117-S138 WeakPolarHBondContact NE2-CB 3.39Å
118L93.3Very high92.9Very high0 Ų038 Ų380%021%0.209CC..EExtended strand (participates in β ladder)trans-86.5-47.8179.4178.264000110.7I95 L110 L112 K116 L137 S138 F141 V228I95-L118 HydrophobicContact CD1-CD2 4.18Å; L110-L118 HydrophobicContact CB-CD2 4.48Å; L110-L118 WeakPolarHBondContact O-CB 3.4Å; L110-L118 PolarHBondContact O-N 2.77Å; L112-L118 HydrophobicContact CD2-CD1 4.37Å; L112-L118 HydrophobicContact CG-CD1 4.43Å; K116-L118 PolarHBondContact O-N 3.45Å; L118-L137 HydrophobicContact CD1-CD2 3.76Å; L118-L137 HydrophobicContact CG-CD2 4.22Å; L118-S138 PolarHBondContact O-N 3.47Å; L118-F141 HydrophobicContact CD1-CD1 3.79Å; L118-F141 HydrophobicContact CD1-CD2 3.81Å; L118-F141 HydrophobicContact CD1-CE1 3.65Å; L118-F141 HydrophobicContact CD1-CE2 3.76Å; L118-F141 HydrophobicContact CD1-CG 3.84Å; L118-F141 HydrophobicContact CD1-CZ 3.64Å; L118-V228 HydrophobicContact CD2-CB 4.41Å; L118-V228 HydrophobicContact CD2-CG1 3.68Å; L118-V228 HydrophobicContact CD2-CG2 3.78Å
119G94.6Very high92.4Very high0 Ų048.3 Ų48.30%025%0.248CC..EExtended strand (participates in β ladder)trans159.4-164.5-174.800000113.6L110 I136L110-G119 PolarHBondContact N-O 2.89Å; G119-I136 CarbonylContact C-O 3.53Å; G119-I136 WeakPolarHBondContact CA-O 3.41Å
120E95.6Very high92.2Very high1 Ų150.8 Ų50.81%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-120.7135.9-172.3-169.1178.9142.500110.8Y65 L67 Q68 R107 S108 Y122 V135 I136Y65-E120 PolarHBondContact OH-OE1 3.39Å; L67-E120 HydrophobicContact CD2-CB 3.55Å; Q68-E120 PolarHBondContact N-OE2 3.43Å; R107-E120 WeakPolarHBondContact CA-OE1 3.23Å; R107-E120 HydrophobicContact CB-CG 4.45Å; R107-E120 WeakPolarHBondContact CB-OE1 3.29Å; R107-E120 WeakPolarHBondContact CG-OE1 3.5Å; R107-E120 IonicContact NE-OE1 2.82Å; S108-E120 CarbonylContact O-C 3.57Å; S108-E120 WeakPolarHBondContact O-CA 3.33Å; E120-Y122 PolarHBondContact O-N 3.44Å; E120-V135 CarbonylContact O-C 3.53Å; E120-V135 WeakPolarHBondContact O-CA 3.32Å; E120-I136 PolarHBondContact N-O 3.1Å; E120-I136 PolarHBondContact O-N 3.27Å
121V95.9Very high92.1Very high0 Ų051 Ų510%026%0.264CS..EExtended strand (participates in β ladder)trans-66.5117.7174.6176.90000108.6E106 R107 S108 L110 Y133 V135E106-V121 CarbonylContact C-O 3.57Å; E106-V121 WeakPolarHBondContact CA-O 3.47Å; R107-V121 PolarHBondContact N-O 2.79Å; S108-V121 WeakPolarHBondContact O-CG2 3.03Å; S108-V121 PolarHBondContact O-N 2.58Å; L110-V121 HydrophobicContact CD1-CG2 3.88Å; L110-V121 HydrophobicContact CD2-CG2 4.26Å; L110-V121 HydrophobicContact CG-CG2 3.98Å; V121-Y133 HydrophobicContact CG1-CD1 4.14Å; V121-Y133 HydrophobicContact CG2-CD1 4.5Å; V121-V135 HydrophobicContact CG2-CG2 4.24Å
122Y95Very high92.2Very high51 Ų5153.3 Ų53.320%0.227%0.274CS..EExtended strand (participates in β ladder)trans-88.1-41.8174.6-179.8-98.2000111.7I61 P62 Y65 E106 E120 L134 I136I61-Y122 HydrophobicContact CB-CE2 4.49Å; I61-Y122 HydrophobicContact CG1-CD1 4.29Å; I61-Y122 HydrophobicContact CG1-CD2 4.41Å; I61-Y122 HydrophobicContact CG1-CE1 4.13Å; I61-Y122 HydrophobicContact CG1-CE2 4.25Å; I61-Y122 HydrophobicContact CG1-CG 4.41Å; I61-Y122 HydrophobicContact CG2-CD2 4.34Å; I61-Y122 HydrophobicContact CG2-CE2 3.97Å; P62-Y122 WeakPolarHBondContact CD-OH 3.36Å; Y65-Y122 AromaticContact CD2-CD2 3.78Å; Y65-Y122 HydrophobicContact CD2-CD2 3.78Å; Y65-Y122 AromaticContact CD2-CE2 3.66Å; Y65-Y122 HydrophobicContact CD2-CE2 3.66Å; Y65-Y122 AromaticContact CE2-CD2 3.46Å; Y65-Y122 HydrophobicContact CE2-CD2 3.46Å; Y65-Y122 VanDerWaalsContact CE2-CD2 3.46Å; Y65-Y122 AromaticContact CE2-CE2 3.72Å; Y65-Y122 HydrophobicContact CE2-CE2 3.72Å; E106-Y122 WeakPolarHBondContact CG-O 3.03Å; E120-Y122 PolarHBondContact O-N 3.44Å; Y122-L134 HydrophobicContact CD1-CD2 3.79Å; Y122-L134 HydrophobicContact CD1-CG 4.35Å; Y122-L134 HydrophobicContact CE1-CD2 4.46Å; Y122-L134 PolarHBondContact N-O 3.41Å; Y122-I136 HydrophobicContact CD2-CD1 3.43Å; Y122-I136 VanDerWaalsContact CD2-CD1 3.43Å; Y122-I136 HydrophobicContact CD2-CG1 4.39Å; Y122-I136 HydrophobicContact CE2-CD1 4.28Å; Y122-I136 HydrophobicContact CG-CD1 3.85Å; Y122-I136 HydrophobicContact CG-CG1 4.35Å
123E93.7Very high92.3Very high63 Ų6352.2 Ų52.229%0.29427%0.269SS..EExtended strand (participates in β ladder)trans-151.7142.1-178.1-172.1177.5173.100111.1Y133 L134E123-Y133 WeakPolarHBondContact O-CA 3.48Å; E123-L134 HydrophobicContact CB-CB 4.23Å; E123-L134 PolarHBondContact N-O 3.5Å; E123-L134 PolarHBondContact O-N 3.37Å
124T93.9Very high92.6Very high39 Ų3945.4 Ų45.424%0.23924%0.237CC..EExtended strand (participates in β ladder)trans-111.2120.3174-59.60000109.4V103 L104 P131 F132 Y133V103-T124 HydrophobicContact CG1-CG2 3.81Å; L104-T124 PolarHBondContact O-OG1 2.83Å; T124-P131 HydrophobicContact CG2-CB 3.85Å; T124-F132 WeakPolarHBondContact CA-O 3.32Å; T124-Y133 HydrophobicContact CG2-CD1 3.79Å; T124-Y133 HydrophobicContact CG2-CE1 3.49Å; T124-Y133 VanDerWaalsContact CG2-CE1 3.49Å; T124-Y133 VanDerWaalsContact OG1-CD1 3.26Å; T124-Y133 WeakPolarHBondContact OG1-CD1 3.27Å; T124-Y133 WeakPolarHBondContact OG1-CE1 3.21Å
125F92.8Very high92.8Very high80 Ų8040 Ų4035%0.35121%0.208SC..EExtended strand (participates in β ladder)trans-137.8168.3-174.165.3-85.5000112.9V94 F132 L134V94-F125 HydrophobicContact CG1-CZ 3.92Å; F125-F132 HydrophobicContact CD1-CB 4.2Å; F125-F132 HydrophobicContact CD2-CB 3.84Å; F125-F132 HydrophobicContact CE1-CB 3.84Å; F125-F132 HydrophobicContact CE2-CB 3.46Å; F125-F132 VanDerWaalsContact CE2-CB 3.46Å; F125-F132 HydrophobicContact CE2-CD2 4.42Å; F125-F132 AromaticContact CE2-CG 4Å; F125-F132 HydrophobicContact CE2-CG 4Å; F125-F132 HydrophobicContact CG-CB 4.21Å; F125-F132 HydrophobicContact CZ-CB 3.46Å; F125-F132 VanDerWaalsContact CZ-CB 3.46Å; F125-F132 HydrophobicContact CZ-CG 4.29Å; F125-F132 PolarHBondContact N-O 3.25Å; F125-F132 PolarHBondContact O-N 3.34Å; F125-L134 HydrophobicContact CE1-CB 4.04Å
126G92.7Very high93Very high53 Ų5340.2 Ų40.255%0.54621%0.207SC..SBendtrans88.9-166.8178.600000114.7
127P90.6Very high93.1Very high75 Ų7538.1 Ų38.149%0.48720%0.198SC..  trans-65.4139.3-173.1-20.432.2000112.7R129 T130 P131P127-R129 PolarHBondContact O-N 2.86Å; P127-R129 VanDerWaalsContact O-N 3.11Å; P127-T130 CarbonylContact O-C 3.57Å; P127-T130 PolarHBondContact O-N 2.89Å; P127-P131 WeakPolarHBondContact O-CA 3.29Å
128V84.3Confident92.9Very high71 Ų7138.8 Ų38.843%0.4320%0.203SC..THydrogen-bonded Turntrans-56.7-34.3-175.9-177.70000113.8Y243V128-Y243 HydrophobicContact CG1-CD1 3.48Å; V128-Y243 VanDerWaalsContact CG1-CD1 3.48Å; V128-Y243 HydrophobicContact CG1-CD2 3.94Å; V128-Y243 HydrophobicContact CG1-CE1 3.51Å; V128-Y243 HydrophobicContact CG1-CE2 4.01Å; V128-Y243 HydrophobicContact CG1-CG 3.7Å; V128-Y243 HydrophobicContact CG2-CE2 4.33Å
129R85.5Confident92.3Very high216 Ų21648.1 Ų48.182%0.81525%0.247SC*.THydrogen-bonded Turntrans-75-27.4179.6-65.7-172.5176.3-167.1-1.1113.5P127P127-R129 PolarHBondContact O-N 2.86Å; P127-R129 VanDerWaalsContact O-N 3.11Å
130T90.7Very high91.3Very high52 Ų5251.1 Ų51.132%0.31927%0.268SS..SBendtrans-142.667.2-173.756.50000108.7P127P127-T130 CarbonylContact O-C 3.57Å; P127-T130 PolarHBondContact O-N 2.89Å
131P94.2Very high90.4Very high3 Ų352 Ų522%0.01927%0.272CS..  trans-66.4155.4-178.228.8-36.3000110.8S97 V103 T124 P127 Y133S97-P131 VanDerWaalsContact CB-O 3.29Å; S97-P131 WeakPolarHBondContact CB-O 3.46Å; S97-P131 PolarHBondContact N-O 2.77Å; V103-P131 HydrophobicContact CG1-CG 4.32Å; V103-P131 HydrophobicContact CG2-CG 4.27Å; T124-P131 HydrophobicContact CG2-CB 3.85Å; P127-P131 WeakPolarHBondContact O-CA 3.29Å; P131-Y133 HydrophobicContact CB-CE1 4.49Å; P131-Y133 HydrophobicContact CG-CE1 4.38Å; P131-Y133 HydrophobicContact CG-CE2 4.07Å; P131-Y133 VanDerWaalsContact CG-OH 3.32Å; P131-Y133 WeakPolarHBondContact CG-OH 3.31Å
132F95.3Very high88.6Confident49 Ų4954.2 Ų54.222%0.21529%0.287CS..EExtended strand (participates in β ladder)trans-101.7145.6164.2-66.1-95.7000108.9V94 I95 R96 T124 F125V94-F132 HydrophobicContact CG1-CB 4.4Å; V94-F132 HydrophobicContact CG1-CD1 3.99Å; I95-F132 CarbonylContact O-C 3.45Å; I95-F132 WeakPolarHBondContact O-CA 3.32Å; R96-F132 HydrophobicContact CB-CD1 3.83Å; R96-F132 HydrophobicContact CB-CE1 3.66Å; R96-F132 HydrophobicContact CB-CZ 4.48Å; R96-F132 HydrophobicContact CG-CD1 4.29Å; R96-F132 HydrophobicContact CG-CE1 3.81Å; R96-F132 HydrophobicContact CG-CZ 4.15Å; T124-F132 WeakPolarHBondContact CA-O 3.32Å; F125-F132 HydrophobicContact CD1-CB 4.2Å; F125-F132 HydrophobicContact CD2-CB 3.84Å; F125-F132 HydrophobicContact CE1-CB 3.84Å; F125-F132 HydrophobicContact CE2-CB 3.46Å; F125-F132 VanDerWaalsContact CE2-CB 3.46Å; F125-F132 HydrophobicContact CE2-CD2 4.42Å; F125-F132 AromaticContact CE2-CG 4Å; F125-F132 HydrophobicContact CE2-CG 4Å; F125-F132 HydrophobicContact CG-CB 4.21Å; F125-F132 HydrophobicContact CZ-CB 3.46Å; F125-F132 VanDerWaalsContact CZ-CB 3.46Å; F125-F132 HydrophobicContact CZ-CG 4.29Å; F125-F132 PolarHBondContact N-O 3.25Å; F125-F132 PolarHBondContact O-N 3.34Å
133Y96Very high87.1Confident0 Ų053 Ų530%029%0.285CS..EExtended strand (participates in β ladder)trans-119.4126.4177.4-55.3-78000108.8L82 V94 I95 L104 V121 E123 T124 P131L82-Y133 HydrophobicContact CD1-CE2 3.68Å; L82-Y133 HydrophobicContact CD2-CD2 3.9Å; L82-Y133 HydrophobicContact CD2-CE2 3.8Å; L82-Y133 HydrophobicContact CG-CD2 4.25Å; L82-Y133 HydrophobicContact CG-CE2 3.77Å; V94-Y133 CarbonylContact C-O 3.6Å; V94-Y133 WeakPolarHBondContact CA-O 3.42Å; I95-Y133 HydrophobicContact CB-CD2 4.5Å; I95-Y133 PolarHBondContact N-O 3.27Å; I95-Y133 PolarHBondContact O-N 3.27Å; L104-Y133 HydrophobicContact CB-CE1 3.88Å; L104-Y133 PolarHBondContact N-OH 3.37Å; V121-Y133 HydrophobicContact CG1-CD1 4.14Å; V121-Y133 HydrophobicContact CG2-CD1 4.5Å; E123-Y133 WeakPolarHBondContact O-CA 3.48Å; T124-Y133 HydrophobicContact CG2-CD1 3.79Å; T124-Y133 HydrophobicContact CG2-CE1 3.49Å; T124-Y133 VanDerWaalsContact CG2-CE1 3.49Å; T124-Y133 VanDerWaalsContact OG1-CD1 3.26Å; T124-Y133 WeakPolarHBondContact OG1-CD1 3.27Å; T124-Y133 WeakPolarHBondContact OG1-CE1 3.21Å; P131-Y133 HydrophobicContact CB-CE1 4.49Å; P131-Y133 HydrophobicContact CG-CE1 4.38Å; P131-Y133 HydrophobicContact CG-CE2 4.07Å; P131-Y133 VanDerWaalsContact CG-OH 3.32Å; P131-Y133 WeakPolarHBondContact CG-OH 3.31Å
134L95.5Very high85.2Confident11 Ų1153.3 Ų53.36%0.05829%0.292CS..EExtended strand (participates in β ladder)trans-86.6120.6165-179.957.3000107.6Y92 V94 Y122 E123 F125Y92-L134 HydrophobicContact CD2-CD1 3.44Å; Y92-L134 VanDerWaalsContact CD2-CD1 3.44Å; Y92-L134 HydrophobicContact CE2-CD1 4.15Å; Y92-L134 HydrophobicContact CG-CD1 4.01Å; V94-L134 HydrophobicContact CG2-CD1 4.27Å; Y122-L134 HydrophobicContact CD1-CD2 3.79Å; Y122-L134 HydrophobicContact CD1-CG 4.35Å; Y122-L134 HydrophobicContact CE1-CD2 4.46Å; Y122-L134 PolarHBondContact N-O 3.41Å; E123-L134 HydrophobicContact CB-CB 4.23Å; E123-L134 PolarHBondContact N-O 3.5Å; E123-L134 PolarHBondContact O-N 3.37Å; F125-L134 HydrophobicContact CE1-CB 4.04Å
135V95.1Very high82.9Confident0 Ų057.3 Ų57.30%031%0.306CS..EExtended strand (participates in β ladder)trans-123.6124.8-172.6178.60000109.2Y92 V93 I95 L110 E120 V121Y92-V135 CarbonylContact C-O 3.59Å; Y92-V135 WeakPolarHBondContact CA-O 3.31Å; Y92-V135 WeakPolarHBondContact CB-O 3.48Å; V93-V135 HydrophobicContact CG2-CB 3.86Å; V93-V135 HydrophobicContact CG2-CG1 4.32Å; V93-V135 PolarHBondContact N-O 2.83Å; V93-V135 PolarHBondContact O-N 3.16Å; I95-V135 HydrophobicContact CD1-CB 4.41Å; I95-V135 HydrophobicContact CD1-CG2 3.66Å; I95-V135 HydrophobicContact CG1-CG2 4.16Å; L110-V135 HydrophobicContact CD1-CG1 4.33Å; L110-V135 HydrophobicContact CD1-CG2 3.6Å; E120-V135 CarbonylContact O-C 3.53Å; E120-V135 WeakPolarHBondContact O-CA 3.32Å; V121-V135 HydrophobicContact CG2-CG2 4.24Å
136I93.9Very high80.8Confident16 Ų1655.3 Ų55.38%0.08230%0.299CS..EExtended strand (participates in β ladder)trans-81.6125.3173.1-62.8168.8000107.3I61 Y65 L67 G119 E120 Y122I61-I136 HydrophobicContact CD1-CD1 3.98Å; I61-I136 HydrophobicContact CD1-CG1 3.73Å; I61-I136 HydrophobicContact CG1-CD1 4.23Å; I61-I136 HydrophobicContact CG1-CG1 4.47Å; I61-I136 HydrophobicContact CG2-CD1 3.64Å; Y65-I136 HydrophobicContact CD1-CD1 3.49Å; Y65-I136 VanDerWaalsContact CD1-CD1 3.49Å; Y65-I136 HydrophobicContact CD2-CD1 4.26Å; Y65-I136 HydrophobicContact CE1-CD1 3.58Å; Y65-I136 HydrophobicContact CE2-CD1 4.31Å; Y65-I136 HydrophobicContact CG-CD1 3.86Å; L67-I136 HydrophobicContact CD1-CG2 4.04Å; L67-I136 HydrophobicContact CD2-CB 4.02Å; L67-I136 HydrophobicContact CD2-CG2 3.86Å; L67-I136 HydrophobicContact CG-CG2 4.22Å; G119-I136 CarbonylContact C-O 3.53Å; G119-I136 WeakPolarHBondContact CA-O 3.41Å; E120-I136 PolarHBondContact N-O 3.1Å; E120-I136 PolarHBondContact O-N 3.27Å; Y122-I136 HydrophobicContact CD2-CD1 3.43Å; Y122-I136 VanDerWaalsContact CD2-CD1 3.43Å; Y122-I136 HydrophobicContact CD2-CG1 4.39Å; Y122-I136 HydrophobicContact CE2-CD1 4.28Å; Y122-I136 HydrophobicContact CG-CD1 3.85Å; Y122-I136 HydrophobicContact CG-CG1 4.35Å
137L92.7Very high78.1Confident16 Ų1660 Ų608%0.08430%0.3CS..EExtended strand (participates in β ladder)trans-71.9139.3-178.2-65.9175.6000110.5L67 K91 V93 L118 F141 V143L67-L137 WeakPolarHBondContact CD1-O 3.33Å; K91-L137 PolarHBondContact O-N 3.33Å; V93-L137 HydrophobicContact CB-CD2 4.48Å; V93-L137 HydrophobicContact CG1-CD1 4.02Å; V93-L137 HydrophobicContact CG1-CD2 3.79Å; V93-L137 HydrophobicContact CG1-CG 4.12Å; V93-L137 HydrophobicContact CG2-CD2 3.91Å; L118-L137 HydrophobicContact CD1-CD2 3.76Å; L118-L137 HydrophobicContact CG-CD2 4.22Å; L137-F141 HydrophobicContact CB-CD1 4.4Å; L137-F141 HydrophobicContact CD1-CD1 4.03Å; L137-F141 HydrophobicContact CD1-CE1 4.4Å; L137-F141 HydrophobicContact CD2-CD1 3.57Å; L137-F141 HydrophobicContact CD2-CE1 3.96Å; L137-F141 HydrophobicContact CD2-CG 4.41Å; L137-F141 HydrophobicContact CG-CD1 4.2Å; L137-V143 HydrophobicContact CD1-CG2 3.57Å
138S90.2Very high75.6Confident18 Ų1861.8 Ų61.813%0.12631%0.306CS..PPolyproline II helixtrans-61.3148.1168.1176.30000111.3H117 L118 S140 F141H117-S138 WeakPolarHBondContact CD2-CB 3.38Å; H117-S138 PolarHBondContact CD2-OG 2.83Å; H117-S138 WeakPolarHBondContact NE2-CB 3.39Å; L118-S138 PolarHBondContact O-N 3.47Å; S138-S140 PolarHBondContact O-N 3.31Å; S138-S140 PolarHBondContact OG-N 3.11Å; S138-S140 VanDerWaalsContact OG-N 3.15Å; S138-S140 PolarHBondContact OG-OG 2.93Å; S138-F141 WeakPolarHBondContact O-CB 3.19Å; S138-F141 PolarHBondContact O-N 3.27Å
139E80.4Confident73.6Confident196 Ų19664.5 Ų64.592%0.91632%0.318SS*.THydrogen-bonded Turntrans-59.1-28.6171-60.8-173.3168.300112.5F141E139-F141 VanDerWaalsContact C-N 3.29Å
140S73.5Confident71.4Confident63 Ų6364.9 Ų64.944%0.44132%0.319SS..THydrogen-bonded Turntrans-75.5-17.9175.565.70000113.2S138 C142S138-S140 PolarHBondContact O-N 3.31Å; S138-S140 PolarHBondContact OG-N 3.11Å; S138-S140 VanDerWaalsContact OG-N 3.15Å; S138-S140 PolarHBondContact OG-OG 2.93Å; S140-C142 PolarHBondContact O-N 3.07Å; S140-C142 VanDerWaalsContact O-N 3.15Å
141F76.7Confident69.1Low21 Ų2170 Ų709%0.09234%0.343CS..  trans-84.192.9177.6-172-103000110.4L112 L118 L137 S138 E139 V143L112-F141 HydrophobicContact CD1-CD2 4.24Å; L112-F141 HydrophobicContact CD1-CE2 3.48Å; L112-F141 VanDerWaalsContact CD1-CE2 3.48Å; L112-F141 HydrophobicContact CD1-CZ 4.28Å; L112-F141 HydrophobicContact CG-CE2 4.44Å; L118-F141 HydrophobicContact CD1-CD1 3.79Å; L118-F141 HydrophobicContact CD1-CD2 3.81Å; L118-F141 HydrophobicContact CD1-CE1 3.65Å; L118-F141 HydrophobicContact CD1-CE2 3.76Å; L118-F141 HydrophobicContact CD1-CG 3.84Å; L118-F141 HydrophobicContact CD1-CZ 3.64Å; L137-F141 HydrophobicContact CB-CD1 4.4Å; L137-F141 HydrophobicContact CD1-CD1 4.03Å; L137-F141 HydrophobicContact CD1-CE1 4.4Å; L137-F141 HydrophobicContact CD2-CD1 3.57Å; L137-F141 HydrophobicContact CD2-CE1 3.96Å; L137-F141 HydrophobicContact CD2-CG 4.41Å; L137-F141 HydrophobicContact CG-CD1 4.2Å; S138-F141 WeakPolarHBondContact O-CB 3.19Å; S138-F141 PolarHBondContact O-N 3.27Å; E139-F141 VanDerWaalsContact C-N 3.29Å; F141-V143 HydrophobicContact CD1-CG2 4.06Å; F141-V143 HydrophobicContact CE1-CB 4.44Å; F141-V143 HydrophobicContact CE1-CG2 3.65Å; F141-V143 PolarHBondContact O-N 2.84Å; F141-V143 VanDerWaalsContact O-N 3.1Å
142C59Low66.7Low45 Ų4574.9 Ų74.930%0.30438%0.377SS..  trans-73.997.9165.3-169.20000108.4S140 P144 K145S140-C142 PolarHBondContact O-N 3.07Å; S140-C142 VanDerWaalsContact O-N 3.15Å; C142-P144 VanDerWaalsContact O-N 3.15Å; C142-K145 WeakPolarHBondContact SG-CD 3.34Å; C142-K145 VanDerWaalsContact SG-CE 3.55Å; C142-K145 WeakPolarHBondContact SG-CG 3.27Å
143V62.6Low63.8Low27 Ų2775 Ų7516%0.16439%0.393CS..  trans-43.7125.3151.8165.30000105.4V88 L137 F141 K145 V219 L223V88-V143 HydrophobicContact CG1-CG1 4.43Å; V88-V143 HydrophobicContact CG1-CG2 4.28Å; L137-V143 HydrophobicContact CD1-CG2 3.57Å; F141-V143 HydrophobicContact CD1-CG2 4.06Å; F141-V143 HydrophobicContact CE1-CB 4.44Å; F141-V143 HydrophobicContact CE1-CG2 3.65Å; F141-V143 PolarHBondContact O-N 2.84Å; F141-V143 VanDerWaalsContact O-N 3.1Å; V143-K145 VanDerWaalsContact C-N 3.3Å; V143-K145 VanDerWaalsContact O-CA 3.25Å; V143-K145 WeakPolarHBondContact O-CA 3.17Å; V143-K145 PolarHBondContact O-N 3.36Å; V143-V219 HydrophobicContact CG1-CG1 3.54Å; V143-L223 HydrophobicContact CB-CD1 4.12Å; V143-L223 HydrophobicContact CG1-CD1 3.6Å; V143-L223 HydrophobicContact CG2-CD1 3.95Å
144P53.9Low60.8Low69 Ų6981 Ų8145%0.44843%0.431SS..SBendtrans-45.2102.1-176.6-3135.8000108.2C142 L146 V219 L223C142-P144 VanDerWaalsContact O-N 3.15Å; P144-L146 PolarHBondContact O-N 2.92Å; P144-V219 WeakPolarHBondContact O-CG1 3.09Å; P144-V219 WeakPolarHBondContact O-CG2 3.43Å; P144-L223 HydrophobicContact CG-CD2 4.29Å
145K46Very low58Low122 Ų12287.8 Ų87.853%0.5346%0.462SS..  trans-64.1145-163.8-89.7167.4-172.7178.50105.1C142 V143 R147C142-K145 WeakPolarHBondContact SG-CD 3.34Å; C142-K145 VanDerWaalsContact SG-CE 3.55Å; C142-K145 WeakPolarHBondContact SG-CG 3.27Å; V143-K145 VanDerWaalsContact C-N 3.3Å; V143-K145 VanDerWaalsContact O-CA 3.25Å; V143-K145 WeakPolarHBondContact O-CA 3.17Å; V143-K145 PolarHBondContact O-N 3.36Å; K145-R147 HydrophobicContact CB-CB 4.08Å; K145-R147 HydrophobicContact CB-CG 3.71Å; K145-R147 HydrophobicContact CD-CG 4.26Å; K145-R147 PolarHBondContact O-N 2.83Å
146L47.4Very low55Low39 Ų3994.6 Ų94.620%0.20450%0.499CS..  trans-60.163144.7-63.5173000109.5P144 N148 I211 E215 K216 V219P144-L146 PolarHBondContact O-N 2.92Å; L146-N148 PolarHBondContact O-N 2.97Å; L146-I211 HydrophobicContact CB-CG2 3.31Å; L146-I211 HydrophobicContact CD1-CB 4.16Å; L146-I211 HydrophobicContact CD1-CG2 3.32Å; L146-I211 HydrophobicContact CG-CG2 3.92Å; L146-E215 HydrophobicContact CD1-CB 3.99Å; L146-E215 VanDerWaalsContact CD2-C 3.44Å; L146-E215 HydrophobicContact CD2-CB 3.29Å; L146-E215 HydrophobicContact CD2-CG 3.5Å; L146-E215 WeakPolarHBondContact CD2-O 3.35Å; L146-E215 HydrophobicContact CG-CB 4.19Å; L146-K216 HydrophobicContact CD1-CB 3.98Å; L146-K216 HydrophobicContact CD1-CG 3.26Å; L146-K216 VanDerWaalsContact CD1-N 3.28Å; L146-V219 HydrophobicContact CD2-CG2 3.52Å; L146-V219 HydrophobicContact CG-CG2 3.97Å
147R37.6Very low51.8Low150 Ų150100.4 Ų100.457%0.56654%0.539SS*.  trans-83103.5165.6-97.2176175.4146.2-5.2103.5K145 D149K145-R147 HydrophobicContact CB-CB 4.08Å; K145-R147 HydrophobicContact CB-CG 3.71Å; K145-R147 HydrophobicContact CD-CG 4.26Å; K145-R147 PolarHBondContact O-N 2.83Å; R147-D149 PolarHBondContact O-N 2.86Å
148N37.6Very low48.8Very low113 Ų113105.1 Ų105.160%0.60457%0.569SS**  trans-64.567.4160.1-83.7-5.2000108.8L146 R150L146-N148 PolarHBondContact O-N 2.97Å; N148-R150 PolarHBondContact O-N 3.31Å; N148-R150 VanDerWaalsContact O-N 3.08Å
149D41.5Very low45.8Very low129 Ų129112 Ų11269%0.6960%0.603SS**  trans-87.959.8168.7-64.7-15.5000107.4R147R147-D149 PolarHBondContact O-N 2.86Å
150R39.7Very low43.5Very low224 Ų224108 Ų10885%0.84560%0.597SS**  trans-89.987.2154.8-73.5-174-174.3178.13.6106.1N148N148-R150 PolarHBondContact O-N 3.31Å; N148-R150 VanDerWaalsContact O-N 3.08Å
151I42.5Very low41.5Very low160 Ų160113.8 Ų113.882%0.82162%0.615SS**SBendtrans-177.4122.4141-83.4141.3000106.8
152S42.8Very low39.5Very low105 Ų105118.5 Ų118.573%0.73465%0.65SS**SBendtrans88.3101.316779.70000119.6
153G35.3Very low38.3Very low52 Ų52121.7 Ų121.754%0.53667%0.668SS.*  trans84.2134.6131.900000118.6H155G153-H155 PolarHBondContact O-N 3.29Å
154P33.3Very low36.9Very low125 Ų125127.5 Ų127.581%0.81270%0.698SS**  trans-74.596.8170.332.7-28.4000107.9
155H37.1Very low35.9Very low154 Ų154135.8 Ų135.871%0.71372%0.722SS**  trans-103.9103.2167.4-59.9-67.2000107.7G153 C157G153-H155 PolarHBondContact O-N 3.29Å; H155-C157 PolarHBondContact O-N 2.73Å; H155-C157 VanDerWaalsContact O-N 3.14Å
156N30.8Very low35.8Very low143 Ų143134.8 Ų134.877%0.76573%0.731SS**  trans-45.2116174.6-63.5-38.1000110.3T158N156-T158 PolarHBondContact O-N 2.74Å
157C28.3Very low35.2Very low137 Ų137140.9 Ų140.993%0.92676%0.758SS**  trans-7481.2162.3-76.30000107.7H155 L159H155-C157 PolarHBondContact O-N 2.73Å; H155-C157 VanDerWaalsContact O-N 3.14Å; C157-L159 PolarHBondContact O-N 2.75Å
158T27.8Very low35.6Very low115 Ų115139.7 Ų139.771%0.70677%0.773SS**  trans-69.8117.1170-58.50000108.2N156 S160N156-T158 PolarHBondContact O-N 2.74Å; T158-S160 PolarHBondContact O-N 2.97Å
159L27.6Very low35.9Very low162 Ų162141.9 Ų141.985%0.84878%0.784SS**  trans-39.497.5163.3-158.877.3000110.6C157 K161C157-L159 PolarHBondContact O-N 2.75Å; L159-K161 PolarHBondContact O-N 2.97Å
160S31.6Very low35.7Very low114 Ų114144.3 Ų144.380%0.79779%0.791SS**  trans-79.395175.553.30000109.1T158 S162T158-S160 PolarHBondContact O-N 2.97Å; S160-S162 PolarHBondContact O-N 2.85Å
161K32.2Very low35.8Very low184 Ų184138 Ų13880%0.878%0.779SS**  trans-45.9116157.6-107.6170.8173.6174.10109.6L159 T163L159-K161 PolarHBondContact O-N 2.97Å; K161-T163 PolarHBondContact O-N 2.73Å
162S35.1Very low35.6Very low119 Ų119138.2 Ų138.283%0.83278%0.777SS**  trans-76.2101.5160.1460000108.6S160S160-S162 PolarHBondContact O-N 2.85Å
163T33.2Very low35.4Very low112 Ų112139.3 Ų139.369%0.68778%0.779SS**  trans-94.8113166.539.70000109.9K161K161-T163 PolarHBondContact O-N 2.73Å
164N33.3Very low35.8Very low149 Ų149142 Ų14280%0.79779%0.787SS**  trans16.8120.5142.9-58.4-33.3000118.2
165Y33.3Very low36.2Very low243 Ų243141 Ų14195%0.95378%0.783SS**  trans-108.3105.6147.1-99.8-88.8000108.2
166S43.1Very low36.5Very low101 Ų101142.4 Ų142.471%0.70679%0.79SS**  trans-92.4113.916841.10000109.2
167E36.2Very low37.1Very low167 Ų167140.6 Ų140.678%0.7879%0.788SS**  38.8114.8125.3-155161.9-166.200118.4
168S45.5Very low37.9Very low126 Ų126140 Ų14088%0.88178%0.78SS**  trans-144.1131.6149.1-84.40000110.9
169L43.4Very low38.4Very low158 Ų158139.7 Ų139.783%0.82778%0.778SS**  trans-72148.5-164.6-66.7147000114.7
170E37.3Very low39Very low180 Ų180138.2 Ų138.284%0.84177%0.771SS**  trans-42-175.8155.8-107.3-172.5167.300116.6
171P42.2Very low39.4Very low91 Ų91138.3 Ų138.359%0.59177%0.767SS**  cis-142.7-174.9-11.325.70000115.9
172Q38.4Very low40Very low166 Ų166137.2 Ų137.278%0.77677%0.765SS**  trans11991.1143.6-57-171.338.800119.6
173T37.8Very low40.4Very low127 Ų127137.9 Ų137.978%0.77976%0.758SS**  40167.5116.266.40000122.8
174P45.1Very low40.9Very low110 Ų110138.4 Ų138.471%0.71476%0.757SS**  -138.2177.5-67.940.4-21.4000112.7
175S41.8Very low41.5Very low102 Ų102136.1 Ų136.171%0.71374%0.744SS**  trans160.5128.2138.146.20000115.3
176E42.3Very low42Very low185 Ų185133 Ų13386%0.86473%0.733SS**  trans60.6126.4134.2-58.7177.3-168.200119.1
177S43.3Very low42.1Very low104 Ų104134.8 Ų134.873%0.72773%0.734SS**  176.31355247.50000108.3
178V45.4Very low42.6Very low124 Ų124132.1 Ų132.175%0.75273%0.733SS**  93.5103.599.5172.70000116
179T38.3Very low42.6Very low109 Ų109130.8 Ų130.867%0.66972%0.722SS**  trans81.6129.7130.663.90000125.6
180N39.5Very low42.5Very low131 Ų131129.9 Ų129.970%0.70172%0.718SS**  103.4107.5120.8-77.3-2.6000122.3
181T40.2Very low42.6Very low117 Ų117128 Ų12872%0.71871%0.714SS**  64.4136.5123.754.40000122.5
182Q46.1Very low42.8Very low161 Ų161128.8 Ų128.875%0.75272%0.722SS**  136.8106.2117.1-149154.821.300112.1
183L42.8Very low42.6Very low133 Ų133128.6 Ų128.670%0.69673%0.726SS**  65132.5109.7-62.2172.8000113.8
184D44.2Very low42.9Very low122 Ų122127.6 Ų127.665%0.65272%0.724SS**  -179.8141.968.3-98.2-43.6000112
185N46.3Very low42.7Very low101 Ų101131 Ų13154%0.5473%0.731SS.*  64.7150.5128.9-70-22.3000123.6
186Y43.4Very low42.5Very low179 Ų179134.2 Ų134.270%0.70274%0.74SS**  cis-166.1146.25.4-101.6-49.6000110.3
187N43.9Very low42Very low138 Ų138135.5 Ų135.574%0.73874%0.736SS**  trans45.6146.9133.7-60.3-20000122
188S46.4Very low41.9Very low110 Ų110135.6 Ų135.677%0.76974%0.737SS**  cis-175176.315.5-124.20000110.7
189P46.2Very low41.5Very low99 Ų99135.7 Ų135.764%0.64373%0.729SS**  trans-112.6-165.4-150.743.9-37.6000117.4
190N40.9Very low41.3Very low139 Ų139137.4 Ų137.474%0.74373%0.733SS**  trans100142.2169.1-56.2-13.3000114.6
191D40.9Very low40.9Very low140 Ų140139.2 Ų139.275%0.74974%0.737SS**  cis-169.3166.9-1.8-118.3-37.7000108.5
192S46Very low40.5Very low108 Ų108140 Ų14076%0.75574%0.736SS**  trans78.3103.2154.250.70000122.4
193N34.4Very low39.7Very low162 Ų162136.8 Ų136.887%0.86673%0.731SS**  37.1114.5124.3-88.3-15.4000119.8
194S44.2Very low39.2Very low106 Ų106136.8 Ų136.874%0.74173%0.73SS**  175.5121111.252.60000111.4
195Q39.3Very low38.8Very low182 Ų182136.1 Ų136.185%0.8573%0.731SS**  trans25.3107.1143.8-63.8175.9-5100117.3
196N37.4Very low38.2Very low169 Ų169137.2 Ų137.290%0.90474%0.737SS**  trans-156.7111.2131.8-94.9-37.3000109.9S198N196-S198 PolarHBondContact O-N 2.98Å
197R33.4Very low37.8Very low211 Ų211136.2 Ų136.280%0.79674%0.743SS**  trans-75.195.4175.1-162.4-172.4-156.9-134.57.4106.5E199R197-E199 VanDerWaalsContact C-N 3.3Å; R197-E199 IonicContact CZ-OE1 3.27Å; R197-E199 IonicContact NH1-OE1 3.68Å; R197-E199 PolarHBondContact NH1-OE1 3.14Å; R197-E199 PolarHBondContact O-N 3.11Å; R197-E199 VanDerWaalsContact O-N 3.09Å
198S41.4Very low37.9Very low107 Ų107133.2 Ų133.275%0.74873%0.733SS**  trans-79.687169.757.30000108.4N196 I200N196-S198 PolarHBondContact O-N 2.98Å; S198-I200 PolarHBondContact O-N 3.01Å; S198-I200 VanDerWaalsContact O-N 3.13Å
199E35.8Very low37.8Very low125 Ų125135.2 Ų135.258%0.58474%0.736SS**  trans-57.6106.4157.9-74.3166.8-179.700107.4R197 E201R197-E199 VanDerWaalsContact C-N 3.3Å; R197-E199 IonicContact CZ-OE1 3.27Å; R197-E199 IonicContact NH1-OE1 3.68Å; R197-E199 PolarHBondContact NH1-OE1 3.14Å; R197-E199 PolarHBondContact O-N 3.11Å; R197-E199 VanDerWaalsContact O-N 3.09Å; E199-E201 PolarHBondContact O-N 3.13Å
200I34.9Very low37.7Very low146 Ų146135.2 Ų135.275%0.74974%0.744SS**  trans-79.579.4162.8-58.6176.7000105.2S198 I202S198-I200 PolarHBondContact O-N 3.01Å; S198-I200 VanDerWaalsContact O-N 3.13Å; I200-I202 VanDerWaalsContact C-N 3.31Å; I200-I202 HydrophobicContact CG2-CD1 4.49Å; I200-I202 HydrophobicContact CG2-CG1 3.82Å; I200-I202 PolarHBondContact O-N 2.68Å
201E30.5Very low38.2Very low168 Ų168132 Ų13279%0.78573%0.726SS**  trans-63.496.4158.7-96.5-173.1151.600107.2E199 S203E199-E201 PolarHBondContact O-N 3.13Å; E201-S203 PolarHBondContact O-N 2.77Å
202I31.1Very low39Very low134 Ų134128.9 Ų128.969%0.68771%0.709SS**  trans-75.786.6159.5-52179.8000105.4I200 I204I200-I202 VanDerWaalsContact C-N 3.31Å; I200-I202 HydrophobicContact CG2-CD1 4.49Å; I200-I202 HydrophobicContact CG2-CG1 3.82Å; I200-I202 PolarHBondContact O-N 2.68Å; I202-I204 HydrophobicContact CG2-CG1 3.92Å; I202-I204 PolarHBondContact O-N 3.15Å
203S29.8Very low39.5Very low94 Ų94131.6 Ų131.666%0.65770%0.704SS**  trans-64.489.216655.80000108.2E201 T205E201-S203 PolarHBondContact O-N 2.77Å; S203-T205 VanDerWaalsContact C-N 3.27Å; S203-T205 PolarHBondContact O-N 3.28Å
204I33.6Very low40.8Very low132 Ų132129.6 Ų129.668%0.67769%0.69SS**  trans-71.194.1164.4-57.3177.7000105.3I202 D206I202-I204 HydrophobicContact CG2-CG1 3.92Å; I202-I204 PolarHBondContact O-N 3.15Å; I204-D206 PolarHBondContact O-N 3.24Å
205T35.3Very low41.6Very low108 Ų108127 Ų12766%0.66367%0.666SS**  trans-66.3102.3168.350.30000107.8S203 N207S203-T205 VanDerWaalsContact C-N 3.27Å; S203-T205 PolarHBondContact O-N 3.28Å; T205-N207 VanDerWaalsContact C-N 3.26Å; T205-N207 PolarHBondContact O-N 2.78Å
206D34.1Very low42.6Very low125 Ų125121 Ų12167%0.66864%0.637SS**  trans-63.583.9171-77.1-32.5000110.4I204I204-D206 PolarHBondContact O-N 3.24Å
207N35.3Very low44Very low157 Ų157120.4 Ų120.484%0.8462%0.622SS**  trans-99.333171.5-101.5-7.7000111.9T205T205-N207 VanDerWaalsContact C-N 3.26Å; T205-N207 PolarHBondContact O-N 2.78Å
208S45.8Very low45.6Very low75 Ų75117 Ų11752%0.52461%0.613SS.*  trans-99.414.5-176.759.80000115.5
209N44.6Very low46.7Very low153 Ų153113 Ų11382%0.81858%0.584SS**  trans-9820.3-170.2-76.4-17.3000116.3
210A43.7Very low48.3Very low99 Ų99109 Ų10982%0.81857%0.566SS**  trans-121.631.4177.600000113.7N212A210-N212 PolarHBondContact O-N 3.27Å
211I51Low50Low71 Ų71105.4 Ų105.436%0.36455%0.554SS.*  trans-74117.6170.3-23.8179.1000108.4L146 Y213L146-I211 HydrophobicContact CB-CG2 3.31Å; L146-I211 HydrophobicContact CD1-CB 4.16Å; L146-I211 HydrophobicContact CD1-CG2 3.32Å; L146-I211 HydrophobicContact CG-CG2 3.92Å; I211-Y213 PolarHBondContact O-N 2.78Å
212N57.6Low52.2Low74 Ų74101.6 Ų101.640%0.39655%0.546SS..  trans-53.9126.8-171.6175.21.5000111A210 E214 E215 K216A210-N212 PolarHBondContact O-N 3.27Å; N212-E214 PolarHBondContact O-N 3.33Å; N212-E214 VanDerWaalsContact O-N 3.1Å; N212-E214 WeakPolarHBondContact OD1-CB 3.39Å; N212-E214 PolarHBondContact OD1-N 3.27Å; N212-E215 HydrophobicContact CB-CB 4.09Å; N212-E215 WeakPolarHBondContact O-CA 3.41Å; N212-E215 VanDerWaalsContact O-CB 3.23Å; N212-E215 WeakPolarHBondContact O-CB 3.15Å; N212-E215 PolarHBondContact O-N 3.23Å; N212-K216 PolarHBondContact O-N 3.16Å; N212-K216 VanDerWaalsContact O-N 3.07Å
213Y56.7Low54.6Low166 Ų16696 Ų9665%0.65152%0.518SS*.Hα-helixtrans-53.7-32.5-179.5-154.1-86.7000112.4I211 R217I211-Y213 PolarHBondContact O-N 2.78Å; Y213-R217 HydrophobicContact CD1-CG 4.35Å; Y213-R217 WeakPolarHBondContact O-CG 3.09Å; Y213-R217 PolarHBondContact O-N 2.78Å
214E61.6Low57Low120 Ų12096.1 Ų96.156%0.56151%0.506SS*.Hα-helixtrans-68.7-37.7176.2-65.4-173156.100112.9N212 R217 K218N212-E214 PolarHBondContact O-N 3.33Å; N212-E214 VanDerWaalsContact O-N 3.1Å; N212-E214 WeakPolarHBondContact OD1-CB 3.39Å; N212-E214 PolarHBondContact OD1-N 3.27Å; E214-R217 WeakPolarHBondContact O-CB 3.46Å; E214-R217 PolarHBondContact O-N 2.9Å; E214-K218 WeakPolarHBondContact O-CG 3.3Å; E214-K218 PolarHBondContact O-N 3.05Å
215E61.4Low59.5Low52 Ų5296.6 Ų96.624%0.24351%0.506CS..Hα-helixtrans-67.6-46.1178.5-115.7172.5-143.700108.9L146 N212 R217 K218 V219L146-E215 HydrophobicContact CD1-CB 3.99Å; L146-E215 VanDerWaalsContact CD2-C 3.44Å; L146-E215 HydrophobicContact CD2-CB 3.29Å; L146-E215 HydrophobicContact CD2-CG 3.5Å; L146-E215 WeakPolarHBondContact CD2-O 3.35Å; L146-E215 HydrophobicContact CG-CB 4.19Å; N212-E215 HydrophobicContact CB-CB 4.09Å; N212-E215 WeakPolarHBondContact O-CA 3.41Å; N212-E215 VanDerWaalsContact O-CB 3.23Å; N212-E215 WeakPolarHBondContact O-CB 3.15Å; N212-E215 PolarHBondContact O-N 3.23Å; E215-R217 VanDerWaalsContact C-N 3.26Å; E215-R217 PolarHBondContact O-N 2.89Å; E215-K218 PolarHBondContact O-N 2.82Å; E215-V219 PolarHBondContact O-N 2.86Å
216K60.2Low62.2Low54 Ų5493.7 Ų93.724%0.23549%0.488CS..Hα-helixtrans-55.1-43.9171-74.8-167.6177-157.60111.1D90 L146 N212 K218 N220D90-K216 IonicContact OD1-NZ 3.16Å; D90-K216 PolarHBondContact OD1-NZ 2.82Å; D90-K216 IonicContact OD2-NZ 2.84Å; D90-K216 PolarHBondContact OD2-NZ 3.27Å; L146-K216 HydrophobicContact CD1-CB 3.98Å; L146-K216 HydrophobicContact CD1-CG 3.26Å; L146-K216 VanDerWaalsContact CD1-N 3.28Å; N212-K216 PolarHBondContact O-N 3.16Å; N212-K216 VanDerWaalsContact O-N 3.07Å; K216-K218 PolarHBondContact O-N 2.54Å; K216-N220 WeakPolarHBondContact O-CB 3.35Å; K216-N220 PolarHBondContact O-N 3.48Å; K216-N220 PolarHBondContact O-ND2 3.49Å; K216-N220 PolarHBondContact O-OD1 3.07Å
217R65.6Low65.1Low158 Ų15889.4 Ų89.460%0.59647%0.468SS*.Hα-helixtrans-61.8-40.7175.8-79.3-178.9171.31770.5113.2Y213 E214 E215 S221Y213-R217 HydrophobicContact CD1-CG 4.35Å; Y213-R217 WeakPolarHBondContact O-CG 3.09Å; Y213-R217 PolarHBondContact O-N 2.78Å; E214-R217 WeakPolarHBondContact O-CB 3.46Å; E214-R217 PolarHBondContact O-N 2.9Å; E215-R217 VanDerWaalsContact C-N 3.26Å; E215-R217 PolarHBondContact O-N 2.89Å; R217-S221 VanDerWaalsContact O-CB 3.3Å; R217-S221 WeakPolarHBondContact O-CB 3.19Å; R217-S221 PolarHBondContact O-N 3.25Å; R217-S221 PolarHBondContact O-OG 3.42Å
218K67.2Low67.9Low140 Ų14082 Ų8261%0.60943%0.428SS*.Hα-helixtrans-65.6-48178.9-74.1171.4-175.3173.80111.6E214 E215 K216 S221 S222E214-K218 WeakPolarHBondContact O-CG 3.3Å; E214-K218 PolarHBondContact O-N 3.05Å; E215-K218 PolarHBondContact O-N 2.82Å; K216-K218 PolarHBondContact O-N 2.54Å; K218-S221 WeakPolarHBondContact O-CB 3.41Å; K218-S221 PolarHBondContact O-N 2.95Å; K218-S221 VanDerWaalsContact O-N 3.1Å; K218-S222 PolarHBondContact O-N 2.67Å
219V65.2Low70.3Confident23 Ų2379.7 Ų79.714%0.13941%0.409CS..Hα-helixtrans-61.9-46.4176.1172.70000110.9V143 P144 L146 E215 S221 S222 L223V143-V219 HydrophobicContact CG1-CG1 3.54Å; P144-V219 WeakPolarHBondContact O-CG1 3.09Å; P144-V219 WeakPolarHBondContact O-CG2 3.43Å; L146-V219 HydrophobicContact CD2-CG2 3.52Å; L146-V219 HydrophobicContact CG-CG2 3.97Å; E215-V219 PolarHBondContact O-N 2.86Å; V219-S221 PolarHBondContact O-N 3.34Å; V219-S222 PolarHBondContact O-N 2.82Å; V219-L223 PolarHBondContact O-N 2.69Å
220N68.8Low72.7Confident39 Ų3973.9 Ų73.921%0.20938%0.375CS..Hα-helixtrans-60.3-31.9175.4-69.3-5.8000111.6V88 K216 K224V88-N220 HydrophobicContact CB-CB 4.3Å; V88-N220 WeakPolarHBondContact CG1-OD1 3.37Å; V88-N220 PolarHBondContact O-ND2 3.46Å; K216-N220 WeakPolarHBondContact O-CB 3.35Å; K216-N220 PolarHBondContact O-N 3.48Å; K216-N220 PolarHBondContact O-ND2 3.49Å; K216-N220 PolarHBondContact O-OD1 3.07Å; N220-K224 WeakPolarHBondContact O-CG 3.42Å; N220-K224 PolarHBondContact O-N 3.45Å; N220-K224 VanDerWaalsContact O-N 3.16Å
221S71.6Confident75.1Confident71 Ų7169.1 Ų69.150%0.49734%0.336SS..Hα-helixtrans-74.9-31.3176-58.10000112.7R217 K218 V219R217-S221 VanDerWaalsContact O-CB 3.3Å; R217-S221 WeakPolarHBondContact O-CB 3.19Å; R217-S221 PolarHBondContact O-N 3.25Å; R217-S221 PolarHBondContact O-OG 3.42Å; K218-S221 WeakPolarHBondContact O-CB 3.41Å; K218-S221 PolarHBondContact O-N 2.95Å; K218-S221 VanDerWaalsContact O-N 3.1Å; V219-S221 PolarHBondContact O-N 3.34Å
222S76.2Confident77Confident89 Ų8968 Ų6862%0.62233%0.334SS*.Hα-helixtrans-74.1-32.3176.1-173.10000113.2K218 V219K218-S222 PolarHBondContact O-N 2.67Å; V219-S222 PolarHBondContact O-N 2.82Å
223L80.5Confident78.6Confident16 Ų1669.3 Ų69.38%0.08434%0.341CS..Hα-helixtrans-85.5-20178-75.3-175.8000113.2I85 V88 V143 P144 V219 E225 V226I85-L223 WeakPolarHBondContact CB-O 3.15Å; V88-L223 HydrophobicContact CG1-CD1 4.03Å; V88-L223 HydrophobicContact CG2-CB 3.74Å; V88-L223 HydrophobicContact CG2-CD1 4.16Å; V143-L223 HydrophobicContact CB-CD1 4.12Å; V143-L223 HydrophobicContact CG1-CD1 3.6Å; V143-L223 HydrophobicContact CG2-CD1 3.95Å; P144-L223 HydrophobicContact CG-CD2 4.29Å; V219-L223 PolarHBondContact O-N 2.69Å; L223-E225 PolarHBondContact O-N 2.9Å; L223-V226 HydrophobicContact CD2-CG2 4.31Å; L223-V226 WeakPolarHBondContact O-CG2 3.44Å; L223-V226 PolarHBondContact O-N 2.77Å
224K81.7Confident80.3Confident97 Ų9764.5 Ų64.542%0.42233%0.325SS..THydrogen-bonded Turntrans-56.3136.5169.5-84.8170.4-167.9-179.70108.7N220 V226N220-K224 WeakPolarHBondContact O-CG 3.42Å; N220-K224 PolarHBondContact O-N 3.45Å; N220-K224 VanDerWaalsContact O-N 3.16Å; K224-V226 VanDerWaalsContact C-N 3.3Å; K224-V226 PolarHBondContact O-N 2.79Å
225E86.4Confident81.6Confident141 Ų14163.7 Ų63.766%0.65933%0.33SS*.THydrogen-bonded Turntrans75.21.8179.2-48.5-172.4173.900117.1K84 I85 L223 S227K84-E225 HydrophobicContact CD-CB 4.38Å; I85-E225 PolarHBondContact O-N 2.98Å; L223-E225 PolarHBondContact O-N 2.9Å; E225-S227 PolarHBondContact O-N 2.92Å
226V91.7Very high83Confident48 Ų4868.8 Ų68.829%0.29135%0.354SS..  trans-61.8132.6169.9175.90000109.8K84 I85 L112 L223 K224K84-V226 WeakPolarHBondContact CA-O 3.25Å; I85-V226 HydrophobicContact CD1-CB 4.13Å; I85-V226 HydrophobicContact CG1-CB 4.48Å; I85-V226 PolarHBondContact N-O 3.03Å; L112-V226 HydrophobicContact CD2-CG1 3.82Å; L223-V226 HydrophobicContact CD2-CG2 4.31Å; L223-V226 WeakPolarHBondContact O-CG2 3.44Å; L223-V226 PolarHBondContact O-N 2.77Å; K224-V226 VanDerWaalsContact C-N 3.3Å; K224-V226 PolarHBondContact O-N 2.79Å
227S94.2Very high84.6Confident35 Ų3567.1 Ų67.125%0.24535%0.347CS..EExtended strand (participates in β ladder)trans-72.3134.3178.4-63.40000110.9E225E225-S227 PolarHBondContact O-N 2.92Å
228V95Very high85.9Confident0 Ų060 Ų600%032%0.322CS..EExtended strand (participates in β ladder)trans-119.6142.6177.5-177.70000109.6L82 G83 I85 I95 L110 F111 L118L82-V228 WeakPolarHBondContact CB-O 3.26Å; L82-V228 PolarHBondContact N-O 3.46Å; G83-V228 PolarHBondContact N-O 3.16Å; G83-V228 PolarHBondContact O-N 2.97Å; I85-V228 HydrophobicContact CD1-CG2 4.14Å; I85-V228 HydrophobicContact CG1-CG2 3.67Å; I95-V228 HydrophobicContact CD1-CB 3.99Å; I95-V228 HydrophobicContact CD1-CG1 3.74Å; I95-V228 HydrophobicContact CD1-CG2 3.85Å; I95-V228 HydrophobicContact CG1-CG2 4.46Å; I95-V228 HydrophobicContact CG2-CB 4.47Å; L110-V228 HydrophobicContact CB-CG1 3.79Å; L110-V228 HydrophobicContact CD1-CG1 3.97Å; L110-V228 HydrophobicContact CG-CG1 4.4Å; F111-V228 WeakPolarHBondContact O-CG1 3.26Å; L118-V228 HydrophobicContact CD2-CB 4.41Å; L118-V228 HydrophobicContact CD2-CG1 3.68Å; L118-V228 HydrophobicContact CD2-CG2 3.78Å
229F94.9Very high87.1Confident28 Ų2856.2 Ų56.212%0.12331%0.307CS..EExtended strand (participates in β ladder)trans-124.9159.2-171.3-58.2-100.5000111.6V79 S80 L81 F111 E113V79-F229 HydrophobicContact CB-CB 4.02Å; V79-F229 HydrophobicContact CB-CD1 4.49Å; V79-F229 HydrophobicContact CG2-CB 4.36Å; V79-F229 HydrophobicContact CG2-CD1 4.12Å; V79-F229 HydrophobicContact CG2-CG 4.39Å; S80-F229 CarbonylContact O-C 3.52Å; S80-F229 WeakPolarHBondContact O-CA 3.21Å; S80-F229 WeakPolarHBondContact O-CB 3.49Å; L81-F229 HydrophobicContact CB-CD1 4.11Å; L81-F229 HydrophobicContact CB-CE1 3.96Å; L81-F229 HydrophobicContact CD1-CD1 4.3Å; L81-F229 HydrophobicContact CD1-CE1 3.88Å; L81-F229 HydrophobicContact CD1-CE2 4.4Å; L81-F229 HydrophobicContact CD1-CZ 3.94Å; L81-F229 HydrophobicContact CG-CE1 4.49Å; F111-F229 PolarHBondContact N-O 2.9Å; F111-F229 PolarHBondContact O-N 3.05Å; E113-F229 HydrophobicContact CB-CD2 4.36Å; E113-F229 HydrophobicContact CB-CE2 3.63Å; E113-F229 HydrophobicContact CB-CZ 4.2Å; E113-F229 HydrophobicContact CG-CE2 4.05Å; E113-F229 HydrophobicContact CG-CZ 4.1Å
230Y95.1Very high88.3Confident30 Ų3057.3 Ų57.312%0.11832%0.315CS..EExtended strand (participates in β ladder)trans-129.1161172.771.6-80.5000110V79 S80 L82 L104 P232 T238V79-Y230 CarbonylContact C-O 3.5Å; V79-Y230 WeakPolarHBondContact CA-O 3.36Å; S80-Y230 VanDerWaalsContact CB-CE1 3.41Å; S80-Y230 VanDerWaalsContact CB-CZ 3.49Å; S80-Y230 PolarHBondContact N-O 2.86Å; S80-Y230 WeakPolarHBondContact O-CD1 3.5Å; S80-Y230 PolarHBondContact O-N 3.42Å; L82-Y230 HydrophobicContact CB-CD1 3.96Å; L82-Y230 HydrophobicContact CD1-CD1 4.17Å; L82-Y230 HydrophobicContact CD1-CE1 4.49Å; L104-Y230 HydrophobicContact CD1-CG 4.23Å; L104-Y230 HydrophobicContact CD2-CD2 4.34Å; Y230-P232 HydrophobicContact CD2-CB 4.38Å; Y230-P232 HydrophobicContact CE2-CB 3.81Å; Y230-P232 HydrophobicContact CE2-CG 4.31Å; Y230-P232 WeakPolarHBondContact O-CD 3.46Å; Y230-T238 HydrophobicContact CD2-CG2 3.65Å; Y230-T238 HydrophobicContact CE2-CG2 4.19Å
231A93.7Very high89Confident0 Ų057.7 Ų57.70%032%0.318CS..  trans-106.289.5-177.700000110.7L73 I77 F111 D233 M234 T238L73-A231 HydrophobicContact CD1-CB 4.37Å; I77-A231 HydrophobicContact CG2-CB 4.35Å; F111-A231 HydrophobicContact CE2-CB 4.38Å; A231-D233 PolarHBondContact O-N 2.91Å; A231-M234 HydrophobicContact CB-CB 4.13Å; A231-M234 HydrophobicContact CB-CG 4.2Å; A231-M234 PolarHBondContact O-N 3.36Å; A231-M234 VanDerWaalsContact O-N 3.14Å; A231-T238 VanDerWaalsContact C-OG1 3.24Å; A231-T238 PolarHBondContact N-OG1 3.17Å; A231-T238 WeakPolarHBondContact O-CB 3.17Å; A231-T238 PolarHBondContact O-OG1 3.18Å
232P91.7Very high89.1Confident48 Ų4860.4 Ų60.431%0.31232%0.322SS..THydrogen-bonded Turntrans-59.3-29.5-175.123.8-36.1000114.1K78 Y230 M234K78-P232 WeakPolarHBondContact O-CD 3.29Å; Y230-P232 HydrophobicContact CD2-CB 4.38Å; Y230-P232 HydrophobicContact CE2-CB 3.81Å; Y230-P232 HydrophobicContact CE2-CG 4.31Å; Y230-P232 WeakPolarHBondContact O-CD 3.46Å; P232-M234 PolarHBondContact O-N 2.82Å
233D91.7Very high88.6Confident101 Ų10161.1 Ų61.154%0.5431%0.311SS..THydrogen-bonded Turntrans-80.9-7-175.7-60-18000112.3K78 A231 P235K78-D233 WeakPolarHBondContact CB-OD2 3.18Å; A231-D233 PolarHBondContact O-N 2.91Å; D233-P235 VanDerWaalsContact O-CD 3.32Å; D233-P235 WeakPolarHBondContact O-CD 3.44Å
234M92.1Very high87.7Confident65 Ų6565.8 Ų65.832%0.3234%0.336SS..  trans-111.591-178.4-64.2-64-69.300110.6I77 A231 P232 E236 L237 T238I77-M234 HydrophobicContact CG2-CG 4.37Å; A231-M234 HydrophobicContact CB-CB 4.13Å; A231-M234 HydrophobicContact CB-CG 4.2Å; A231-M234 PolarHBondContact O-N 3.36Å; A231-M234 VanDerWaalsContact O-N 3.14Å; P232-M234 PolarHBondContact O-N 2.82Å; M234-E236 PolarHBondContact O-N 2.86Å; M234-L237 HydrophobicContact CB-CB 4.14Å; M234-L237 HydrophobicContact CB-CD1 4Å; M234-L237 HydrophobicContact CB-CG 4.23Å; M234-L237 HydrophobicContact CE-CD1 4.41Å; M234-L237 HydrophobicContact CG-CD1 4.35Å; M234-L237 PolarHBondContact O-N 3.39Å; M234-L237 VanDerWaalsContact O-N 3.07Å; M234-T238 PolarHBondContact O-N 2.87Å
235P89.7Confident86.8Confident103 Ų10367.3 Ų67.367%0.66935%0.345SS*.THydrogen-bonded Turntrans-68.3-19.4-176.928.1-35.9000113.7D233 L237D233-P235 VanDerWaalsContact O-CD 3.32Å; D233-P235 WeakPolarHBondContact O-CD 3.44Å; P235-L237 PolarHBondContact O-N 2.76Å
236E90.9Very high85.7Confident158 Ų15865.3 Ų65.374%0.73834%0.338SS*.THydrogen-bonded Turntrans-69.8-25.6173.6-62-179.8-179.300112.2M234M234-E236 PolarHBondContact O-N 2.86Å
237L92.6Very high84.4Confident20 Ų2067.4 Ų67.411%0.10535%0.347CS..THydrogen-bonded Turntrans-106.8-30.1-176.4-60.8177000112.2V70 L73 S108 V109 F111 M234 P235V70-L237 HydrophobicContact CG1-CD1 4.44Å; V70-L237 HydrophobicContact CG1-CD2 3.8Å; V70-L237 HydrophobicContact CG2-CD2 3.92Å; L73-L237 HydrophobicContact CD2-CD1 4.43Å; S108-L237 CarbonylContact C-O 3.07Å; S108-L237 VanDerWaalsContact CA-O 3.31Å; S108-L237 WeakPolarHBondContact CA-O 3.42Å; V109-L237 HydrophobicContact CB-CB 4.22Å; V109-L237 HydrophobicContact CB-CD2 4.14Å; V109-L237 HydrophobicContact CG2-CD2 3.99Å; V109-L237 PolarHBondContact N-O 3.18Å; F111-L237 HydrophobicContact CE2-CD1 4.3Å; F111-L237 HydrophobicContact CZ-CD1 3.99Å; M234-L237 HydrophobicContact CB-CB 4.14Å; M234-L237 HydrophobicContact CB-CD1 4Å; M234-L237 HydrophobicContact CB-CG 4.23Å; M234-L237 HydrophobicContact CE-CD1 4.41Å; M234-L237 HydrophobicContact CG-CD1 4.35Å; M234-L237 PolarHBondContact O-N 3.39Å; M234-L237 VanDerWaalsContact O-N 3.07Å; P235-L237 PolarHBondContact O-N 2.76Å
238T93.5Very high82.8Confident9 Ų969.8 Ų69.86%0.05537%0.369CS..  trans-113110.7-177.4-62.10000109.7L104 Y230 A231 M234 P240L104-T238 HydrophobicContact CD2-CG2 3.63Å; Y230-T238 HydrophobicContact CD2-CG2 3.65Å; Y230-T238 HydrophobicContact CE2-CG2 4.19Å; A231-T238 VanDerWaalsContact C-OG1 3.24Å; A231-T238 PolarHBondContact N-OG1 3.17Å; A231-T238 WeakPolarHBondContact O-CB 3.17Å; A231-T238 PolarHBondContact O-OG1 3.18Å; M234-T238 PolarHBondContact O-N 2.87Å; T238-P240 VanDerWaalsContact O-CD 3.23Å; T238-P240 WeakPolarHBondContact O-CD 3.37Å
239I92.2Very high81Confident59 Ų5972.3 Ų72.330%0.30339%0.387SS..  trans-105.799.2178.3-55.3169.2000108.1N105 R107 S108N105-I239 HydrophobicContact CB-CB 4.06Å; N105-I239 HydrophobicContact CB-CG2 3.67Å; N105-I239 WeakPolarHBondContact CB-O 3.46Å; N105-I239 PolarHBondContact N-O 2.87Å; R107-I239 HydrophobicContact CB-CD1 4.07Å; S108-I239 PolarHBondContact OG-N 2.88Å; S108-I239 VanDerWaalsContact OG-N 3.15Å; S108-I239 PolarHBondContact OG-O 3.26Å
240P89.8Confident79.1Confident46 Ų4677.5 Ų77.530%0.29942%0.416SS..EExtended strand (participates in β ladder)trans-74137.6179.229.2-34.6000111.8V102 V103 T238 F242V102-P240 HydrophobicContact CG1-CB 3.89Å; V103-P240 CarbonylContact O-C 3.6Å; T238-P240 VanDerWaalsContact O-CD 3.23Å; T238-P240 WeakPolarHBondContact O-CD 3.37Å; P240-F242 HydrophobicContact CB-CE2 4.5Å; P240-F242 HydrophobicContact CB-CZ 4.35Å; P240-F242 HydrophobicContact CG-CE1 4.23Å; P240-F242 HydrophobicContact CG-CE2 3.79Å; P240-F242 HydrophobicContact CG-CZ 3.6Å
241V84.5Confident77.4Confident47 Ų4781.7 Ų81.729%0.28544%0.439SS..EExtended strand (participates in β ladder)trans-84.4109.1163.5-178.40000107.6V103 N105 Y243V103-V241 HydrophobicContact CB-CB 4.14Å; V103-V241 HydrophobicContact CG1-CB 4.1Å; V103-V241 HydrophobicContact CG1-CG2 4.27Å; V103-V241 PolarHBondContact O-N 2.86Å; N105-V241 HydrophobicContact CB-CG2 3.53Å; V241-Y243 PolarHBondContact O-N 3.09Å
242F72.8Confident75.7Confident129 Ų12990.6 Ų90.657%0.56648%0.477SS*.  trans-76.568.5178-63.3-81.7000111.6P240 N244 Q245 L246P240-F242 HydrophobicContact CB-CE2 4.5Å; P240-F242 HydrophobicContact CB-CZ 4.35Å; P240-F242 HydrophobicContact CG-CE1 4.23Å; P240-F242 HydrophobicContact CG-CE2 3.79Å; P240-F242 HydrophobicContact CG-CZ 3.6Å; F242-N244 VanDerWaalsContact C-N 3.25Å; F242-N244 PolarHBondContact O-N 3.39Å; F242-Q245 HydrophobicContact CB-CB 3.62Å; F242-Q245 PolarHBondContact O-N 3.04Å; F242-Q245 VanDerWaalsContact O-N 3.07Å; F242-L246 WeakPolarHBondContact O-CG 3.16Å; F242-L246 PolarHBondContact O-N 3.16Å
243Y67.1Low74.2Confident104 Ų10491.1 Ų91.141%0.40849%0.492SS..Hα-helixtrans-58.8-40.2173.3177.7-109.7000111.4V128 V241 Q245 L246 I247V128-Y243 HydrophobicContact CG1-CD1 3.48Å; V128-Y243 VanDerWaalsContact CG1-CD1 3.48Å; V128-Y243 HydrophobicContact CG1-CD2 3.94Å; V128-Y243 HydrophobicContact CG1-CE1 3.51Å; V128-Y243 HydrophobicContact CG1-CE2 4.01Å; V128-Y243 HydrophobicContact CG1-CG 3.7Å; V128-Y243 HydrophobicContact CG2-CE2 4.33Å; V241-Y243 PolarHBondContact O-N 3.09Å; Y243-Q245 PolarHBondContact O-N 2.88Å; Y243-L246 WeakPolarHBondContact O-CB 3.34Å; Y243-L246 PolarHBondContact O-N 2.81Å; Y243-L246 VanDerWaalsContact O-N 3.11Å; Y243-I247 HydrophobicContact CD1-CD1 3.44Å; Y243-I247 VanDerWaalsContact CD1-CD1 3.44Å; Y243-I247 HydrophobicContact CD1-CG1 4.13Å; Y243-I247 HydrophobicContact CD2-CG1 4.38Å; Y243-I247 HydrophobicContact CE1-CD1 2.95Å; Y243-I247 HydrophobicContact CE1-CG1 3.72Å; Y243-I247 HydrophobicContact CE2-CD1 4.13Å; Y243-I247 HydrophobicContact CE2-CG1 3.95Å; Y243-I247 HydrophobicContact CG-CD1 4.22Å; Y243-I247 HydrophobicContact CG-CG1 4.45Å; Y243-I247 WeakPolarHBondContact O-CG1 3.3Å; Y243-I247 PolarHBondContact O-N 3.15Å
244N60.8Low72.5Confident113 Ų11391.4 Ų91.460%0.60450%0.502SS*.Hα-helixtrans-63.4-32176.8-66.2-21.5000112F242 A248F242-N244 VanDerWaalsContact C-N 3.25Å; F242-N244 PolarHBondContact O-N 3.39Å; N244-A248 WeakPolarHBondContact O-CB 3.44Å; N244-A248 PolarHBondContact O-N 3.14Å
245Q63.3Low70.6Confident129 Ų12996.1 Ų96.160%0.60353%0.528SS*.Hα-helixtrans-76-36173.8-163.612526.700111.3F242 Y243 I247 A248 S249F242-Q245 HydrophobicContact CB-CB 3.62Å; F242-Q245 PolarHBondContact O-N 3.04Å; F242-Q245 VanDerWaalsContact O-N 3.07Å; Y243-Q245 PolarHBondContact O-N 2.88Å; Q245-I247 VanDerWaalsContact C-N 3.34Å; Q245-I247 PolarHBondContact O-N 3.03Å; Q245-A248 PolarHBondContact O-N 3.37Å; Q245-S249 WeakPolarHBondContact O-CB 3.42Å; Q245-S249 PolarHBondContact O-N 3.18Å; Q245-S249 PolarHBondContact O-OG 3.22Å
246L62.8Low68.6Low100 Ų10093.5 Ų93.552%0.52452%0.516SS..Hα-helixtrans-61.8-41.3172.6-67.8172.9000111.7F242 Y243 S249F242-L246 WeakPolarHBondContact O-CG 3.16Å; F242-L246 PolarHBondContact O-N 3.16Å; Y243-L246 WeakPolarHBondContact O-CB 3.34Å; Y243-L246 PolarHBondContact O-N 2.81Å; Y243-L246 VanDerWaalsContact O-N 3.11Å; L246-S249 PolarHBondContact O-OG 2.97Å
247I65.2Low66.8Low91 Ų9191.2 Ų91.247%0.46752%0.517SS..Hα-helixtrans-69.2-50.6173.1-57.4163.5000111Y243 Q245 S249 N250Y243-I247 HydrophobicContact CD1-CD1 3.44Å; Y243-I247 VanDerWaalsContact CD1-CD1 3.44Å; Y243-I247 HydrophobicContact CD1-CG1 4.13Å; Y243-I247 HydrophobicContact CD2-CG1 4.38Å; Y243-I247 HydrophobicContact CE1-CD1 2.95Å; Y243-I247 HydrophobicContact CE1-CG1 3.72Å; Y243-I247 HydrophobicContact CE2-CD1 4.13Å; Y243-I247 HydrophobicContact CE2-CG1 3.95Å; Y243-I247 HydrophobicContact CG-CD1 4.22Å; Y243-I247 HydrophobicContact CG-CG1 4.45Å; Y243-I247 WeakPolarHBondContact O-CG1 3.3Å; Y243-I247 PolarHBondContact O-N 3.15Å; Q245-I247 VanDerWaalsContact C-N 3.34Å; Q245-I247 PolarHBondContact O-N 3.03Å; I247-S249 VanDerWaalsContact C-N 3.34Å; I247-S249 PolarHBondContact O-N 2.91Å; I247-N250 PolarHBondContact O-N 2.94Å; I247-N250 VanDerWaalsContact O-N 3.1Å
248A59.6Low64.9Low86 Ų8695.5 Ų95.571%0.71153%0.532SS*.Hα-helixtrans-68.6-32.6-172.700000112.9N244 Q245 N250N244-A248 WeakPolarHBondContact O-CB 3.44Å; N244-A248 PolarHBondContact O-N 3.14Å; Q245-A248 PolarHBondContact O-N 3.37Å; A248-N250 PolarHBondContact O-N 2.79Å
249S57Low62.9Low53 Ų53101.6 Ų101.637%0.37157%0.569SS.*THydrogen-bonded Turntrans-75.4-9.117561.40000113.1Q245 L246 I247 I251Q245-S249 WeakPolarHBondContact O-CB 3.42Å; Q245-S249 PolarHBondContact O-N 3.18Å; Q245-S249 PolarHBondContact O-OG 3.22Å; L246-S249 PolarHBondContact O-OG 2.97Å; I247-S249 VanDerWaalsContact C-N 3.34Å; I247-S249 PolarHBondContact O-N 2.91Å; S249-I251 PolarHBondContact O-N 2.89Å; S249-I251 VanDerWaalsContact OG-CD1 3.25Å; S249-I251 WeakPolarHBondContact OG-CD1 3.48Å; S249-I251 VanDerWaalsContact OG-CG1 3.28Å; S249-I251 WeakPolarHBondContact OG-CG1 3.47Å
250N54.1Low61.3Low137 Ų137101.6 Ų101.673%0.73358%0.583SS**THydrogen-bonded Turntrans43.638.9-177.5-152-6.8000111.2I247 A248 K252I247-N250 PolarHBondContact O-N 2.94Å; I247-N250 VanDerWaalsContact O-N 3.1Å; A248-N250 PolarHBondContact O-N 2.79Å; N250-K252 PolarHBondContact O-N 2.88Å
251I60.2Low60.1Low118 Ų118107.9 Ų107.961%0.60561%0.614SS**  trans-68.985.6169.3-63.7165.2000103.7S249 G253S249-I251 PolarHBondContact O-N 2.89Å; S249-I251 VanDerWaalsContact OG-CD1 3.25Å; S249-I251 WeakPolarHBondContact OG-CD1 3.48Å; S249-I251 VanDerWaalsContact OG-CG1 3.28Å; S249-I251 WeakPolarHBondContact OG-CG1 3.47Å; I251-G253 VanDerWaalsContact C-N 3.28Å; I251-G253 PolarHBondContact O-N 2.81Å
252K58.9Low58.9Low186 Ų186109.6 Ų109.681%0.80963%0.625SS**  trans-52.1102.7167.1-178.3178.5179.7-174.20104.7N250 S254N250-K252 PolarHBondContact O-N 2.88Å; K252-S254 PolarHBondContact O-N 2.84Å
253G60.3Low58.4Low60 Ų60111.7 Ų111.762%0.61964%0.636SS**  trans-50.9111.4179.300000107.3I251 D255I251-G253 VanDerWaalsContact C-N 3.28Å; I251-G253 PolarHBondContact O-N 2.81Å; G253-D255 PolarHBondContact O-N 3.32Å; G253-D255 VanDerWaalsContact O-N 3.1Å
254S55.2Low58.4Low107 Ų107109.4 Ų109.475%0.74863%0.634SS**  trans-78.290.7165.6-164.70000103.9K252 A256K252-S254 PolarHBondContact O-N 2.84Å; S254-A256 PolarHBondContact O-N 2.94Å
255D52.9Low58.5Low163 Ų163106.9 Ų106.987%0.87262%0.624SS**  trans-70.813.6-176.162.1-23.4000113.5G253G253-D255 PolarHBondContact O-N 3.32Å; G253-D255 VanDerWaalsContact O-N 3.1Å
256A46.3Very low58.4Low49 Ų49105 Ų10541%0.40562%0.623SS.*  trans-142.397.2176.900000109.7S254 W258S254-A256 PolarHBondContact O-N 2.94Å; A256-W258 PolarHBondContact O-N 3.31Å
257S53.1Low58.2Low109 Ų109108 Ų10876%0.76263%0.634SS**  trans-66.490151.347.70000107.9V259S257-V259 PolarHBondContact O-N 3.36Å
258W52.7Low58Low111 Ų111106.4 Ų106.442%0.4264%0.635SS.*  trans-5398.6134.9-75.553.7000105.3A256 G260 T262 P264 P265A256-W258 PolarHBondContact O-N 3.31Å; W258-G260 PolarHBondContact O-N 2.87Å; W258-T262 WeakPolarHBondContact CB-O 3.42Å; W258-P264 HydrophobicContact CD2-CB 4.46Å; W258-P264 HydrophobicContact CZ2-CB 3.91Å; W258-P265 HydrophobicContact CH2-CG 3.44Å; W258-P265 VanDerWaalsContact CH2-CG 3.44Å; W258-P265 HydrophobicContact CZ2-CG 4.48Å; W258-P265 HydrophobicContact CZ3-CG 3.56Å
259V52.9Low58.3Low137 Ų137106.9 Ų106.983%0.8363%0.625SS**THydrogen-bonded Turntrans-32.6114.2-171169.70000111.5S257S257-V259 PolarHBondContact O-N 3.36Å
260G59.2Low58.5Low59 Ų59113.3 Ų113.361%0.60865%0.649SS**THydrogen-bonded Turntrans79.465.2177.100000115.5W258 T262W258-G260 PolarHBondContact O-N 2.87Å; G260-T262 PolarHBondContact O-N 3.45Å; G260-T262 PolarHBondContact O-OG1 3.02Å
261D64.3Low58.7Low177 Ų177109.7 Ų109.795%0.94763%0.627SS**THydrogen-bonded Turntrans46.431.6167.5-67.2-28.8000115.5
262T59.2Low59Low83 Ų83110.3 Ų110.351%0.50964%0.642SS.*  trans-93.2113.6-177.8-50.70000109W258 G260W258-T262 WeakPolarHBondContact CB-O 3.42Å; G260-T262 PolarHBondContact O-N 3.45Å; G260-T262 PolarHBondContact O-OG1 3.02Å
263E60.9Low59.6Low173 Ų173104.6 Ų104.681%0.80862%0.62SS**PPolyproline II helixtrans-54.3141.7173-79.9-171.6158.500110.9
264P67.6Low60.3Low57 Ų57108 Ų10837%0.3762%0.624SS.*PPolyproline II helixtrans-55.7137.7173.7-20.729.9000110.9W258W258-P264 HydrophobicContact CD2-CB 4.46Å; W258-P264 HydrophobicContact CZ2-CB 3.91Å
265P63.3Low61.4Low60 Ų60109.4 Ų109.439%0.3962%0.619SS.*PPolyproline II helixtrans-55.5143.3175.73.6-5.7000109.1W258 E267 A268W258-P265 HydrophobicContact CH2-CG 3.44Å; W258-P265 VanDerWaalsContact CH2-CG 3.44Å; W258-P265 HydrophobicContact CZ2-CG 4.48Å; W258-P265 HydrophobicContact CZ3-CG 3.56Å; P265-E267 PolarHBondContact O-N 3.42Å; P265-A268 PolarHBondContact O-N 3.02Å
266P61Low62.4Low89 Ų89109.6 Ų109.658%0.57861%0.608SS**G310 helixtrans-59.1-16.3-173.318.9-30.9000114.5A268 L269 H280P266-A268 VanDerWaalsContact C-N 3.32Å; P266-L269 PolarHBondContact O-N 3.41Å; P266-H280 PolarHBondContact O-CE1 2.82Å
267E58.6Low63.9Low163 Ų163112 Ų11276%0.76261%0.61SS**G310 helixtrans-70.6-24.4172.4-77.3-170.8153.600114.1P265P265-E267 PolarHBondContact O-N 3.42Å
268A61.8Low65.1Low58 Ų58114.4 Ų114.448%0.47961%0.607SS.*G310 helixtrans-974.5177.300000112.9P265 P266 E270P265-A268 PolarHBondContact O-N 3.02Å; P266-A268 VanDerWaalsContact C-N 3.32Å; A268-E270 PolarHBondContact O-N 3.39Å; A268-E270 VanDerWaalsContact O-N 3.08Å
269L64.4Low66.3Low95 Ų95114.3 Ų114.350%0.49761%0.614SS.*  trans-73102.7177.1-142.281.7000109P266 F271P266-L269 PolarHBondContact O-N 3.41Å; L269-F271 HydrophobicContact CB-CZ 4.43Å; L269-F271 WeakPolarHBondContact O-CD2 3.2Å; L269-F271 WeakPolarHBondContact O-CE2 3.04Å; L269-F271 PolarHBondContact O-N 3.27Å
270E61.2Low67.4Low188 Ų188110 Ų11088%0.87959%0.585SS**  trans-70120.2175.3-65.2-176.1177.600109.8A268 S272A268-E270 PolarHBondContact O-N 3.39Å; A268-E270 VanDerWaalsContact O-N 3.08Å; E270-S272 PolarHBondContact O-N 2.67Å
271F58.5Low68.4Low61 Ų61112.9 Ų112.927%0.26858%0.581SS.*  trans-81.3111.7177.3-60.2-79.1000108.9L269 D273 R276 E277 H280L269-F271 HydrophobicContact CB-CZ 4.43Å; L269-F271 WeakPolarHBondContact O-CD2 3.2Å; L269-F271 WeakPolarHBondContact O-CE2 3.04Å; L269-F271 PolarHBondContact O-N 3.27Å; F271-D273 PolarHBondContact O-N 3.16Å; F271-D273 VanDerWaalsContact O-N 3.1Å; F271-R276 HydrophobicContact CB-CB 4.27Å; F271-R276 HydrophobicContact CD1-CB 3.74Å; F271-R276 HydrophobicContact CG-CB 4.33Å; F271-E277 HydrophobicContact CB-CB 3.82Å; F271-E277 HydrophobicContact CB-CG 4.38Å; F271-E277 HydrophobicContact CD2-CB 4.12Å; F271-E277 HydrophobicContact CD2-CG 3.98Å; F271-E277 HydrophobicContact CG-CB 4.13Å; F271-E277 HydrophobicContact CG-CG 4.49Å; F271-H280 HydrophobicContact CD1-CB 4.48Å; F271-H280 HydrophobicContact CD2-CB 4.31Å; F271-H280 HydrophobicContact CE1-CB 3.67Å; F271-H280 AromaticContact CE1-CG 3.99Å; F271-H280 HydrophobicContact CE2-CB 3.48Å; F271-H280 VanDerWaalsContact CE2-CB 3.48Å; F271-H280 AromaticContact CE2-CG 3.49Å; F271-H280 VanDerWaalsContact CE2-CG 3.49Å; F271-H280 AromaticContact CE2-ND1 3.25Å; F271-H280 VanDerWaalsContact CE2-ND1 3.25Å; F271-H280 WeakPolarHBondContact CE2-ND1 3.5Å; F271-H280 HydrophobicContact CZ-CB 3.13Å; F271-H280 AromaticContact CZ-CD2 3.65Å; F271-H280 AromaticContact CZ-CE1 3.88Å; F271-H280 AromaticContact CZ-CG 3.07Å; F271-H280 AromaticContact CZ-ND1 3.26Å; F271-H280 VanDerWaalsContact CZ-ND1 3.26Å; F271-H280 WeakPolarHBondContact CZ-ND1 3.13Å
272S67.4Low69.2Low131 Ų131112.5 Ų112.592%0.91657%0.566SS**SBendtrans-67.4-2.1175.7-178.80000114.4E270E270-S272 PolarHBondContact O-N 2.67Å
273D70.6Confident70.3Confident67 Ų67110.9 Ų110.936%0.35856%0.561SS.*SBendtrans-141.3123.8-169.6-179.413.2000108.2F271 E275 R276 E277F271-D273 PolarHBondContact O-N 3.16Å; F271-D273 VanDerWaalsContact O-N 3.1Å; D273-E275 PolarHBondContact O-N 2.87Å; D273-R276 HydrophobicContact CB-CB 4.41Å; D273-R276 HydrophobicContact CB-CG 4.32Å; D273-R276 PolarHBondContact O-N 3.1Å; D273-R276 VanDerWaalsContact O-N 3.08Å; D273-E277 PolarHBondContact O-N 3.29Å; D273-E277 VanDerWaalsContact O-N 3.14Å
274D75.4Confident71.2Confident132 Ų132105.6 Ų105.671%0.70654%0.538SS*.Hα-helixtrans-63.8-27.1-172.668.5-35.9000112.2K278D274-K278 PolarHBondContact O-N 3.22Å
275E77.9Confident71.9Confident136 Ų136109.6 Ų109.664%0.63655%0.55SS*.Hα-helixtrans-68.3-41174.4-145.1-167.6-170.300112.1D273 K278 L279D273-E275 PolarHBondContact O-N 2.87Å; E275-K278 PolarHBondContact O-N 3.13Å; E275-L279 PolarHBondContact O-N 3.02Å; E275-L279 VanDerWaalsContact O-N 3.14Å
276R74.1Confident72.6Confident167 Ų167112.8 Ų112.863%0.6356%0.561SS**Hα-helixtrans-69.5-36.8176.8-70.3-174.3-172.7175.32.2112.2F271 D273 K278 L279 H280F271-R276 HydrophobicContact CB-CB 4.27Å; F271-R276 HydrophobicContact CD1-CB 3.74Å; F271-R276 HydrophobicContact CG-CB 4.33Å; D273-R276 HydrophobicContact CB-CB 4.41Å; D273-R276 HydrophobicContact CB-CG 4.32Å; D273-R276 PolarHBondContact O-N 3.1Å; D273-R276 VanDerWaalsContact O-N 3.08Å; R276-K278 VanDerWaalsContact C-N 3.29Å; R276-K278 PolarHBondContact O-N 3.06Å; R276-L279 PolarHBondContact O-N 3Å; R276-H280 PolarHBondContact O-N 3.11Å
277E77.1Confident73.4Confident98 Ų98115.9 Ų115.946%0.45857%0.565SS.*Hα-helixtrans-58.2-45.1174.3-162.9-160.1145.500110.8F271 D273 L279 H280 K281F271-E277 HydrophobicContact CB-CB 3.82Å; F271-E277 HydrophobicContact CB-CG 4.38Å; F271-E277 HydrophobicContact CD2-CB 4.12Å; F271-E277 HydrophobicContact CD2-CG 3.98Å; F271-E277 HydrophobicContact CG-CB 4.13Å; F271-E277 HydrophobicContact CG-CG 4.49Å; D273-E277 PolarHBondContact O-N 3.29Å; D273-E277 VanDerWaalsContact O-N 3.14Å; E277-L279 PolarHBondContact O-N 2.85Å; E277-H280 PolarHBondContact O-N 2.87Å; E277-K281 WeakPolarHBondContact O-CB 3.25Å; E277-K281 PolarHBondContact O-N 3.15Å
278K78.4Confident74.3Confident160 Ų160117.4 Ų117.470%0.69656%0.564SS**Hα-helixtrans-64.4-40179.7-167.3175.5-176.2177.60112.1D274 E275 R276 R282D274-K278 PolarHBondContact O-N 3.22Å; E275-K278 PolarHBondContact O-N 3.13Å; R276-K278 VanDerWaalsContact C-N 3.29Å; R276-K278 PolarHBondContact O-N 3.06Å; K278-R282 WeakPolarHBondContact O-CB 3.49Å; K278-R282 PolarHBondContact O-N 3.1Å
279L78.1Confident74.7Confident110 Ų110122.7 Ų122.758%0.57658%0.576SS**Hα-helixtrans-64.7-45.6175.9-75.3173000111.8E275 R276 E277 K281 R282 A283E275-L279 PolarHBondContact O-N 3.02Å; E275-L279 VanDerWaalsContact O-N 3.14Å; R276-L279 PolarHBondContact O-N 3Å; E277-L279 PolarHBondContact O-N 2.85Å; L279-K281 PolarHBondContact O-N 3.22Å; L279-R282 PolarHBondContact O-N 3.31Å; L279-A283 PolarHBondContact O-N 3.28Å
280H76Confident74.9Confident47 Ų47122.3 Ų122.322%0.21858%0.581CS.*Hα-helixtrans-64-43.5178.6-173.2-117.4000112.3P266 F271 R276 E277 R282 A283 L284P266-H280 PolarHBondContact O-CE1 2.82Å; F271-H280 HydrophobicContact CD1-CB 4.48Å; F271-H280 HydrophobicContact CD2-CB 4.31Å; F271-H280 HydrophobicContact CE1-CB 3.67Å; F271-H280 AromaticContact CE1-CG 3.99Å; F271-H280 HydrophobicContact CE2-CB 3.48Å; F271-H280 VanDerWaalsContact CE2-CB 3.48Å; F271-H280 AromaticContact CE2-CG 3.49Å; F271-H280 VanDerWaalsContact CE2-CG 3.49Å; F271-H280 AromaticContact CE2-ND1 3.25Å; F271-H280 VanDerWaalsContact CE2-ND1 3.25Å; F271-H280 WeakPolarHBondContact CE2-ND1 3.5Å; F271-H280 HydrophobicContact CZ-CB 3.13Å; F271-H280 AromaticContact CZ-CD2 3.65Å; F271-H280 AromaticContact CZ-CE1 3.88Å; F271-H280 AromaticContact CZ-CG 3.07Å; F271-H280 AromaticContact CZ-ND1 3.26Å; F271-H280 VanDerWaalsContact CZ-ND1 3.26Å; F271-H280 WeakPolarHBondContact CZ-ND1 3.13Å; R276-H280 PolarHBondContact O-N 3.11Å; E277-H280 PolarHBondContact O-N 2.87Å; H280-R282 VanDerWaalsContact C-N 3.27Å; H280-R282 PolarHBondContact O-N 3.04Å; H280-A283 PolarHBondContact O-N 2.93Å; H280-A283 VanDerWaalsContact O-N 3.16Å; H280-L284 PolarHBondContact O-N 3.22Å
281K80.1Confident74.9Confident119 Ų119121.8 Ų121.852%0.51758%0.579SS.*Hα-helixtrans-62.9-33.5175.6-158.9171.3-167.8164.50112.2E277 L279 K285E277-K281 WeakPolarHBondContact O-CB 3.25Å; E277-K281 PolarHBondContact O-N 3.15Å; L279-K281 PolarHBondContact O-N 3.22Å; K281-K285 WeakPolarHBondContact O-CG 3.23Å; K281-K285 PolarHBondContact O-N 3.39Å
282R81.9Confident74.7Confident169 Ų169124.5 Ų124.564%0.63860%0.6SS**Hα-helixtrans-71.6-40.1174.5-157177.7-171-179.61.6111.4K278 L279 H280 K285 M286K278-R282 WeakPolarHBondContact O-CB 3.49Å; K278-R282 PolarHBondContact O-N 3.1Å; L279-R282 PolarHBondContact O-N 3.31Å; H280-R282 VanDerWaalsContact C-N 3.27Å; H280-R282 PolarHBondContact O-N 3.04Å; R282-K285 PolarHBondContact O-N 3.38Å; R282-M286 WeakPolarHBondContact O-CG 3.44Å; R282-M286 PolarHBondContact O-N 3.32Å
283A81.8Confident74Confident49 Ų49124.9 Ų124.941%0.40559%0.592SS.*Hα-helixtrans-65.2-44.4176.600000112.3L279 H280 K285 M286 K287L279-A283 PolarHBondContact O-N 3.28Å; H280-A283 PolarHBondContact O-N 2.93Å; H280-A283 VanDerWaalsContact O-N 3.16Å; A283-K285 VanDerWaalsContact C-N 3.32Å; A283-K285 PolarHBondContact O-N 2.65Å; A283-M286 PolarHBondContact O-N 3.23Å; A283-K287 PolarHBondContact O-N 3.05Å
284L80.1Confident72.6Confident62 Ų62130.1 Ų130.133%0.32561%0.614SS.*Hα-helixtrans-59.6-41.2174.4-76.6168.7000111.9H280 K287 R288H280-L284 PolarHBondContact O-N 3.22Å; L284-K287 PolarHBondContact O-N 3.04Å; L284-R288 WeakPolarHBondContact O-CG 3.45Å; L284-R288 PolarHBondContact O-N 3.07Å
285K82.6Confident71.1Confident141 Ų141129.2 Ų129.261%0.61362%0.615SS**Hα-helixtrans-65.1-37.3175.4-75.4178.2179.3-175.40112.7K281 R282 A283 K289K281-K285 WeakPolarHBondContact O-CG 3.23Å; K281-K285 PolarHBondContact O-N 3.39Å; R282-K285 PolarHBondContact O-N 3.38Å; A283-K285 VanDerWaalsContact C-N 3.32Å; A283-K285 PolarHBondContact O-N 2.65Å; K285-K289 PolarHBondContact O-N 3.05Å
286M77.7Confident69.1Low127 Ų127129 Ų12963%0.62662%0.624SS**Hα-helixtrans-68.3-41.9176.6-64.6-100.8-144.400111.7R282 A283 K289 S290R282-M286 WeakPolarHBondContact O-CG 3.44Å; R282-M286 PolarHBondContact O-N 3.32Å; A283-M286 PolarHBondContact O-N 3.23Å; M286-K289 PolarHBondContact O-N 3.31Å; M286-S290 PolarHBondContact O-N 2.91Å; M286-S290 PolarHBondContact O-OG 3.1Å; M286-S290 VanDerWaalsContact O-OG 3.11Å
287K78.8Confident67.4Low154 Ų154128.3 Ų128.367%0.6763%0.632SS**Hα-helixtrans-62.9-41.8175.8-76.2-175.4174.6-1780112.1A283 L284 K289 S290A283-K287 PolarHBondContact O-N 3.05Å; L284-K287 PolarHBondContact O-N 3.04Å; K287-K289 VanDerWaalsContact C-N 3.27Å; K287-K289 PolarHBondContact O-N 3Å; K287-S290 PolarHBondContact O-N 3.02Å; K287-S290 PolarHBondContact O-OG 2.96Å
288R75.8Confident65.7Low195 Ų195129.5 Ų129.574%0.73665%0.651SS**Hα-helixtrans-65.4-29.5176.3-69.6176.482.4144.13.9113.2L284L284-R288 WeakPolarHBondContact O-CG 3.45Å; L284-R288 PolarHBondContact O-N 3.07Å
289K72Confident64.1Low169 Ų169125.6 Ų125.674%0.73565%0.649SS**Hα-helixtrans-79.8-26-179.2-130176-178.1-175.30113.6K285 M286 K287K285-K289 PolarHBondContact O-N 3.05Å; M286-K289 PolarHBondContact O-N 3.31Å; K287-K289 VanDerWaalsContact C-N 3.27Å; K287-K289 PolarHBondContact O-N 3Å
290S67.1Low62.6Low87 Ų87128.8 Ų128.861%0.60866%0.661SS**Hα-helixtrans-79.9-24.7179.237.20000113.2M286 K287 T292M286-S290 PolarHBondContact O-N 2.91Å; M286-S290 PolarHBondContact O-OG 3.1Å; M286-S290 VanDerWaalsContact O-OG 3.11Å; K287-S290 PolarHBondContact O-N 3.02Å; K287-S290 PolarHBondContact O-OG 2.96Å; S290-T292 VanDerWaalsContact C-N 3.35Å; S290-T292 PolarHBondContact O-N 2.91Å
291Q61.4Low61Low177 Ų177134.3 Ų134.383%0.82769%0.689SS**THydrogen-bonded Turntrans-77.3-10.4177.9-103.3178.6-0.500115.4
292T54.7Low59.2Low117 Ų117135.2 Ų135.272%0.71870%0.698SS**THydrogen-bonded Turntrans-95.64.6-174.4-500000114S290S290-T292 VanDerWaalsContact C-N 3.35Å; S290-T292 PolarHBondContact O-N 2.91Å
293L52.8Low57.2Low140 Ų140133.1 Ų133.173%0.73370%0.7SS**  trans-122.277.2-176.6-69.1166.8000110.7
294E40.2Very low55.6Low177 Ų177140 Ų14083%0.82772%0.724SS**  trans-123.1132.1159.4-77.1-61.6140.700109.6
295P45.2Very low53.7Low112 Ų112142 Ų14273%0.72774%0.741SS**  trans-89.3137.8-163.23.916.9000112.3
296T34.6Very low51.6Low133 Ų133144.6 Ų144.682%0.81675%0.752SS**  trans-67.3130.8177.8-42.40000112.5
297N40.1Very low49.9Very low152 Ų152147.5 Ų147.581%0.81376%0.761SS**  trans-153.5144.6159.5-90.9-37.9000110.2
298S41.3Very low48.5Very low122 Ų122147.8 Ų147.885%0.85377%0.765SS**  trans86.3136.2-179.685.10000115
299A44.3Very low46.9Very low78 Ų78144.4 Ų144.465%0.64576%0.761SS**  cis-167143-8.800000108.8
300Q46.8Very low45.9Very low178 Ų178143.5 Ų143.583%0.83276%0.76SS**  trans61.6112.9137.5-64.2171.7-19.100120.6
301M42.4Very low44.6Very low162 Ų162151.6 Ų151.680%0.79878%0.777SS**  79.312997.7-59.5-103.281.500112.9
302L41.8Very low44.1Very low138 Ų138150.5 Ų150.572%0.72377%0.771SS**  -177.5133.568.3-169.368.4000113.3
303N40.8Very low43.7Very low125 Ų125150.2 Ų150.267%0.66877%0.774SS**  trans50.7123.3147-63.1-15.2000124.6
304Q46.3Very low43.5Very low194 Ų194153.1 Ų153.191%0.90778%0.781SS**  -160.1148.2102.2-100.2-178.56200112.1
305P40.3Very low43.8Very low105 Ų105150.2 Ų150.268%0.68278%0.777SS**  trans-119158.9-162.139.3-24.6000116.9
306K38.8Very low43.5Very low195 Ų195149.9 Ų149.985%0.84878%0.777SS**  trans70.7113.6150.2-69.7170.9-176.3-177.20120.5
307K42.5Very low43.9Very low188 Ų188152.3 Ų152.382%0.81778%0.777SS**  173.1110.6118.3-93.9172.4-178-175.60109.4
308Q49Very low44Very low160 Ų160148.3 Ų148.375%0.74877%0.772SS**  77.4110.9108-90-175.6-49.800115.7
309D43Very low44.3Very low123 Ų123148 Ų14866%0.65877%0.765SS**  trans84126131.4-65.1-32.6000122
310Q50.2Low44.4Very low151 Ų151153.5 Ų153.571%0.70677%0.774SS**  trans72.397.6148.8-65.8177.25600118.5
311R40.8Very low44Very low257 Ų257154.2 Ų154.297%0.9777%0.774SS**  trans-113.891.1149.1-73-170.6-179.9-174.80.8109.8
312H50.4Low44.1Very low154 Ų154155.8 Ų155.871%0.71378%0.779SS**  trans-80.2150.7162-83.6-79.5000111
313S46.4Very low44.2Very low111 Ų111157.6 Ų157.678%0.77678%0.784SS**  trans66.19915358.60000121.4
314K49.2Very low44.3Very low201 Ų201157.8 Ų157.887%0.87479%0.79SS**  9.7147.8117.6-75.4-174.1-176.3-179.90117.4
315P45.5Very low43.9Very low116 Ų116152.5 Ų152.575%0.75378%0.779SS**  -150.6160.769.836.8-14.9000119.3
316S38.2Very low44Very low104 Ų104156.8 Ų156.873%0.72779%0.787SS**  trans-58.5138.1164.5162.10000112.5
317F44.1Very low44.2Very low185 Ų185151.9 Ų151.981%0.81178%0.783SS**  trans-145.3104.6150.9-96-81.7000110.3V319F317-V319 HydrophobicContact CD1-CG2 3.98Å; F317-V319 HydrophobicContact CE1-CG2 4.42Å
318G41.5Very low44.2Very low68 Ų68148.3 Ų148.370%0.70178%0.782SS**  trans-99.1125.9149.700000107.9
319V48.8Very low44Very low116 Ų116146.2 Ų146.270%0.70378%0.784SS**  trans-149.2110.6163.8-177.40000110.5F317F317-V319 HydrophobicContact CD1-CG2 3.98Å; F317-V319 HydrophobicContact CE1-CG2 4.42Å
320K46Very low44.2Very low192 Ų192146.8 Ų146.884%0.83579%0.792SS**  trans15.8129.8136.8-59.5175.2-179.3176.30120
321K38.8Very low44.3Very low194 Ų194148 Ų14884%0.84380%0.797SS**  trans14133.9135.6-66.4179.9176.3-1800117.1
322H43.2Very low44.6Very low195 Ų195140 Ų14090%0.90378%0.779SS**  -165.8135.5119.9-97-74000110.9
323Q44.7Very low44.2Very low176 Ų176141 Ų14182%0.82279%0.787SS**  trans-62.1146.4164.4-68.6165.20.400109.8
324T42.6Very low44Very low129 Ų129142.5 Ų142.579%0.79179%0.787SS**  171.2140.8116.739.80000110.7
325A38.6Very low43.6Very low83 Ų83144.6 Ų144.669%0.68679%0.789SS**  trans-67.2146-175.200000115.1
326F42.3Very low43.4Very low194 Ų194143.6 Ų143.685%0.85179%0.79SS**  trans-161107.1142.9-60-71.4000106.4
327A42.2Very low43.6Very low92 Ų92142.6 Ų142.676%0.7680%0.797SS**  68.4116.392.600000115.5
328S43.3Very low43.2Very low113 Ų113136.9 Ų136.979%0.7979%0.79SS**  trans122.8133.2130.184.30000117.9
329C43.6Very low43.3Very low116 Ų116145 Ų14578%0.78480%0.801SS**  trans6113016195.60000116.8
330V47.1Very low42.8Very low136 Ų136144.4 Ų144.482%0.82480%0.802SS**  -147.4148.559.6172.70000111.1
331Q53.7Low42.7Very low176 Ų176145.3 Ų145.382%0.82280%0.802SS**  trans-110.5-173.8-169.9-114.4-138.423.400110.5
332P47Very low42.9Very low89 Ų89143.8 Ų143.858%0.57880%0.798SS**  -124-166.2-107.928.2-2000112.3
333I42.5Very low42.6Very low174 Ų174143 Ų14389%0.89279%0.794SS**  trans-153.7127.7149.5-101.9148.7000110.8
334D40.7Very low42.4Very low143 Ų143143.5 Ų143.577%0.76580%0.797SS**  trans-81.3153.7179.1-68.7-65.3000114.5
335R40.4Very low42Very low245 Ų245142.6 Ų142.693%0.92580%0.796SS**  trans168.8146.7131.9-104.2178.9171.1146.7-1.4110
336A42.8Very low41.8Very low95 Ų95145 Ų14579%0.78581%0.806SS**  cis177.5141.2-27.300000105.9
337G40.6Very low41.7Very low84 Ų84138.7 Ų138.787%0.86680%0.796SS**  trans93.3116.4161.400000115.9
338G36.5Very low41.4Very low64 Ų64143.9 Ų143.966%0.6680%0.802SS**  cis10192.88.700000112.4
339Y43.4Very low41.2Very low239 Ų239150 Ų15094%0.93781%0.807SS**  trans-152.6127.6150-79.3-69.3000110.5
340S37.6Very low40.8Very low104 Ų104150.5 Ų150.573%0.72781%0.812SS**  trans-126.7134.9177.356.80000108.8
341Y45.6Very low40.3Very low211 Ų211149.6 Ų149.683%0.82781%0.811SS**  trans-154.7106.6155.8-90.2-79.5000106
342Q41.9Very low39.9Very low162 Ų162149.9 Ų149.976%0.75781%0.814SS**  79.9108.678.2-165.4170.30.200113.4
343Q36.7Very low39.2Very low178 Ų178152.8 Ų152.883%0.83282%0.824SS**  trans-54.8150.9173.6-69.8170.4-000113.6
344Q40.8Very low39.2Very low186 Ų186152.3 Ų152.387%0.86982%0.822SS**  trans-157.8137.2135.2-110.3160.474.600112.7
345S34Very low39.5Very low111 Ų111153.3 Ų153.378%0.77682%0.821SS**  trans-86.7147.5-173.567.70000113.7
346C35.1Very low39.6Very low134 Ų134147.1 Ų147.191%0.90581%0.813SS**  trans168.1143.2136.654.80000106.3
347G40.4Very low39.2Very low61 Ų61150.8 Ų150.863%0.62982%0.819SS**  cis140.4118.118.200000106.3
348F35.1Very low39.1Very low201 Ų201153.6 Ų153.688%0.88281%0.814SS**  trans60.5115158.6-74.2-92.5000119.8
349R40.2Very low39.5Very low241 Ų241157.4 Ų157.491%0.90981%0.814SS**  174.1142100.8-90.7177.3-171.9-93.5-1.9112.7
350S33.8Very low39.2Very low126 Ų126157.1 Ų157.188%0.88181%0.812SS**  trans-59.2142-178.2-520000116.1
351C38.3Very low39.5Very low118 Ų118157.8 Ų157.880%0.79781%0.807SS**  trans-157.5119.2140.351.30000112.8
352M44.1Very low39.3Very low181 Ų181156.8 Ų156.889%0.89281%0.812SS**  trans53.6118.1144.1-53.4-53-134.100122.6
353L32.5Very low39.5Very low151 Ų151159 Ų15979%0.79182%0.815SS**  trans-39.2123.6162.3-135.389.7000114.3Q355L353-Q355 HydrophobicContact CD2-CG 4.29Å
354I41.8Very low40.2Very low164 Ų164156.4 Ų156.484%0.84181%0.814SS**  trans-129.7105.3156.3-60.5178.8000106.5
355Q47.2Very low40.4Very low163 Ų163153 Ų15376%0.76281%0.81SS**  trans-85.1132.1172.2-74.2-177.1-19.200109.5L353L353-Q355 HydrophobicContact CD2-CG 4.29Å
356P43.6Very low41.2Very low116 Ų116154.4 Ų154.475%0.75381%0.814SS**  trans-79128.1170.230.6-28.7000110.4N358P356-N358 PolarHBondContact O-N 2.53Å
357L34.9Very low41.8Very low172 Ų172156.4 Ų156.490%0.90181%0.81SS**  trans-55.4106174.5-170.674.4000111.6
358N38.7Very low41.9Very low142 Ų142159 Ų15976%0.75982%0.816SS**  trans-156.999.8163.7-82.7-38.9000109P356P356-N358 PolarHBondContact O-N 2.53Å
359H43.8Very low42.3Very low145 Ų145157.5 Ų157.567%0.67181%0.812SS**  trans-155.9118.7165.4-163.135.6000112.8D361H359-D361 WeakPolarHBondContact CE1-CB 3.36Å; H359-D361 IonicContact CE1-OD1 2.83Å; H359-D361 PolarHBondContact CE1-OD1 3.02Å; H359-D361 VanDerWaalsContact CE1-OD1 3.27Å; H359-D361 IonicContact CE1-OD2 3.72Å; H359-D361 PolarHBondContact CE1-OD2 3.33Å; H359-D361 IonicContact ND1-OD1 3.93Å; H359-D361 IonicContact ND1-OD2 2.69Å; H359-D361 VanDerWaalsContact NE2-CB 3.25Å; H359-D361 WeakPolarHBondContact NE2-CB 2.97Å; H359-D361 VanDerWaalsContact NE2-CG 3.29Å; H359-D361 IonicContact NE2-OD2 3.77Å; H359-D361 PolarHBondContact NE2-OD2 2.7Å; H359-D361 VanDerWaalsContact NE2-OD2 3.16Å
360W37.9Very low42.2Very low233 Ų233157.5 Ų157.588%0.88381%0.812SS**  trans-106.650.7173-38.671.4000108.7
361D44.3Very low42.8Very low118 Ų118159 Ų15963%0.63181%0.805SS**  trans-100104.7168.2-78.76.1000109.4H359H359-D361 WeakPolarHBondContact CE1-CB 3.36Å; H359-D361 IonicContact CE1-OD1 2.83Å; H359-D361 PolarHBondContact CE1-OD1 3.02Å; H359-D361 VanDerWaalsContact CE1-OD1 3.27Å; H359-D361 IonicContact CE1-OD2 3.72Å; H359-D361 PolarHBondContact CE1-OD2 3.33Å; H359-D361 IonicContact ND1-OD1 3.93Å; H359-D361 IonicContact ND1-OD2 2.69Å; H359-D361 VanDerWaalsContact NE2-CB 3.25Å; H359-D361 WeakPolarHBondContact NE2-CB 2.97Å; H359-D361 VanDerWaalsContact NE2-CG 3.29Å; H359-D361 IonicContact NE2-OD2 3.77Å; H359-D361 PolarHBondContact NE2-OD2 2.7Å; H359-D361 VanDerWaalsContact NE2-OD2 3.16Å
362M39.7Very low42.8Very low189 Ų189160.7 Ų160.793%0.93181%0.806SS**  trans-115.366.2160.6-158.3-179.8137.800108.6
363Y47.5Very low42.4Very low209 Ų209157.8 Ų157.882%0.8280%0.803SS**SBendtrans-123.3131.9154.4-88.2-83.1000107.6S365Y363-S365 PolarHBondContact O-N 3.38Å
364P50.9Low43Very low124 Ų124156.9 Ų156.981%0.80580%0.804SS**  trans-72.898176.828.8-30.1000109.1V366P364-V366 PolarHBondContact O-N 3.08Å
365S45.5Very low42.9Very low113 Ų113159.8 Ų159.879%0.7981%0.806SS**  trans-70.3115.5166.9-82.10000109.6Y363 Q367Y363-S365 PolarHBondContact O-N 3.38Å; S365-Q367 PolarHBondContact O-N 2.78Å
366V50.5Low42.6Very low141 Ų141155.3 Ų155.386%0.85580%0.804SS**  trans-59.7117.2167.9177.70000108.4P364P364-V366 PolarHBondContact O-N 3.08Å
367Q46.5Very low42.7Very low176 Ų176158 Ų15882%0.82281%0.806SS**  trans-67.5131.7178-67.8-178.8-19.300111.4S365S365-Q367 PolarHBondContact O-N 2.78Å
368P43.6Very low42.9Very low117 Ų117157 Ų15776%0.7680%0.802SS**  trans-92.9113.2156.3152.1000109.5R370P368-R370 PolarHBondContact O-N 3.25Å
369Q43.7Very low43.3Very low169 Ų169158.1 Ų158.179%0.7981%0.806SS**  trans-58.3119.8164.8-94.2-168.5-53.300110
370R38.1Very low42.8Very low241 Ų241162.6 Ų162.691%0.90982%0.817SS**  trans-119.7102.8158.6-77.5-87.3-172.4176.5-0.5107.2P368P368-R370 PolarHBondContact O-N 3.25Å
371Q45.3Very low43.2Very low158 Ų158156.7 Ų156.774%0.73881%0.809SS**  trans-108.9125.3161-78.6-170.1-12.500109.5
372N38.9Very low43.3Very low152 Ų152155.4 Ų155.481%0.81381%0.809SS**  trans67.2111.6146-63.3-10.3000120.9
373S36.2Very low43.8Very low121 Ų121156.6 Ų156.685%0.84681%0.805SS**  trans-55.1122.4157.1-50.40000112.2
374T43.8Very low44.6Very low132 Ų132152.2 Ų152.281%0.8180%0.802SS**  trans-151117.5146.2-64.30000108.6
375Y40.5Very low44.9Very low224 Ų224151.8 Ų151.888%0.87880%0.799SS**  trans17.5121.3147.2-104.5-104.4000118.5
376G40.4Very low44.8Very low70 Ų70153.3 Ų153.372%0.72280%0.804SS**  trans159.189.4161.500000115.7
377H45.4Very low44.9Very low171 Ų171153.1 Ų153.179%0.79280%0.802SS**  trans0.5131.2156.3-57.2-76.2000121
378N39.3Very low44.8Very low152 Ų152153.4 Ų153.481%0.81380%0.804SS**  trans-30.6128.4162-52.6-43.8000115.9
379I46.7Very low44.7Very low165 Ų165154.4 Ų154.485%0.84680%0.803SS**  trans-155.9119.9136.6-57.6-168.3000108.3
380W34.4Very low44.9Very low239 Ų239152 Ų15291%0.90581%0.805SS**  trans-69.7147.5167.4-81.968.5000110.3
381P46.7Very low45.3Very low109 Ų109149.8 Ų149.871%0.70880%0.798SS**  -153.2151.710433.8-13.7000117.2
382S46.4Very low46.2Very low91 Ų91147.8 Ų147.864%0.63680%0.798SS**  trans70.5110.2135.8-62.90000122.4
383Y49.2Very low46.5Very low215 Ų215151 Ų15184%0.84380%0.801SS**  trans46.6128.3147.1-57.1-79.9000121.6
384P65.4Low47.5Very low116 Ų116152.2 Ų152.275%0.75380%0.796SS**PPolyproline II helixtrans-88.5154167.736.1-31.4000112.1
385P56.5Low48.3Very low116 Ų116151 Ų15175%0.75379%0.791SS**PPolyproline II helixtrans-80.5143.9173.833.1-31000111.6
386T44Very low49.1Very low145 Ų145152 Ų15289%0.8979%0.793SS**PPolyproline II helixtrans-50.4125.4166.523.50000112.8
387V51.8Low50Low136 Ų136155.9 Ų155.982%0.82480%0.797SS**  trans-125.8129.5157.3-178.90000108N389V387-N389 PolarHBondContact O-N 2.93Å
388Q44.6Very low51Low183 Ų183153.6 Ų153.686%0.85580%0.798SS**  trans-59.2124.3-174.4-70.1162.7-60.100111.9
389N42Very low52.2Low137 Ų137154.1 Ų154.173%0.73380%0.797SS**  trans-87.5107.8163.6-112.71.1000108.7V387 Y391V387-N389 PolarHBondContact O-N 2.93Å; N389-Y391 HydrophobicContact CB-CE2 4.38Å; N389-Y391 PolarHBondContact O-N 3.37Å
390S47Very low53.1Low119 Ų119150.8 Ų150.883%0.83279%0.786SS**  trans-80.198.8169.6-58.10000109
391Y47.6Very low54.5Low194 Ų194145.5 Ų145.576%0.76178%0.783SS**PPolyproline II helixtrans-75.3140.5165.4-79.6-85.2000109.8N389 Y393N389-Y391 HydrophobicContact CB-CE2 4.38Å; N389-Y391 PolarHBondContact O-N 3.37Å; Y391-Y393 PolarHBondContact O-N 3.3Å
392P63.1Low55.2Low116 Ų116147.3 Ų147.375%0.75378%0.782SS**PPolyproline II helixtrans-69.2121.1173.428.8-30.3000109.1I394P392-I394 PolarHBondContact O-N 3.07Å
393Y45.4Very low55.6Low219 Ų219148.6 Ų148.686%0.85979%0.788SS**PPolyproline II helixtrans-67.2118.7174.2-153.3-95.8000108.6Y391 P395Y391-Y393 PolarHBondContact O-N 3.3Å; Y393-P395 WeakPolarHBondContact O-CD 3.45Å
394I58.3Low55.7Low148 Ų148147.7 Ų147.776%0.75979%0.789SS**PPolyproline II helixtrans-79.1119.4169.8-60.5174.1000106.8P392 R396P392-I394 PolarHBondContact O-N 3.07Å; I394-R396 PolarHBondContact O-N 2.89Å
395P60.2Low54.9Low107 Ų107147.8 Ų147.870%0.69579%0.789SS**PPolyproline II helixtrans-63.6121.5172.4-18.532.1000109.3Y393Y393-P395 WeakPolarHBondContact O-CD 3.45Å
396R57.6Low53.9Low243 Ų243147 Ų14792%0.91779%0.786SS**PPolyproline II helixtrans-69.7131.8164.9-78.7-163.7-179.9-158.12108.5I394I394-R396 PolarHBondContact O-N 2.89Å
397D58.1Low54.1Low152 Ų152149.4 Ų149.481%0.81379%0.786SS**PPolyproline II helixtrans-52.4138.2171.5-68.8-52.9000111.4M399D397-M399 PolarHBondContact O-N 3.14Å
398P67.1Low53.6Low124 Ų124153.1 Ų153.181%0.80579%0.787SS**PPolyproline II helixtrans-70.4123175.827.2-30.1000110.2
399M63.7Low54.3Low162 Ų162150.2 Ų150.280%0.79878%0.784SS**PPolyproline II helixtrans-59.1138.7174.2-160.8176.176.300110.8D397D397-M399 PolarHBondContact O-N 3.14Å
400P67.2Low54.5Low95 Ų95151.7 Ų151.762%0.61779%0.791SS**PPolyproline II helixtrans-68.2145.4174.927.3-32.8000111.2Q402P400-Q402 PolarHBondContact O-N 3Å
401P63.7Low54.7Low128 Ų128151.6 Ų151.683%0.83179%0.788SS**PPolyproline II helixtrans-71.2127.7-174.827.3-32000111.8
402Q60.5Low55Low148 Ų148152 Ų15269%0.69280%0.796SS**PPolyproline II helixtrans-80.9142.1168.5-66.7-74.2-34.500109.8P400P400-Q402 PolarHBondContact O-N 3Å
403P54.4Low54.6Low118 Ų118155.1 Ų155.177%0.76680%0.801SS**PPolyproline II helixtrans-79.7121.8178.830.8-30.1000110.7
404F52.8Low54.7Low195 Ų195149.1 Ų149.186%0.85579%0.789SS**PPolyproline II helixtrans-90.8140.4170.5-73.4-78.2000111.3
405P47.2Very low54.2Low118 Ų118153.2 Ų153.277%0.76680%0.796SS**PPolyproline II helixtrans-81.3148.9177.831.8-31.4000112.9
406C35.4Very low53.7Low101 Ų101155.9 Ų155.968%0.68280%0.799SS**  trans-30.1138.7178-52.60000118.1
407H48Very low53.3Low195 Ų195153.7 Ų153.790%0.90380%0.8SS**  trans-136.2121.9143.5-98.138.5000109
408Y42.4Very low52.7Low214 Ų214152 Ų15284%0.83979%0.791SS**PPolyproline II helixtrans-75.1145.1179.8-80.5-98.8000112
409P59.3Low52Low122 Ų122151.9 Ų151.979%0.79279%0.792SS**PPolyproline II helixtrans-87.5140154.8-0.620.4000110.9
410L46.1Very low51.2Low168 Ų168154.8 Ų154.888%0.8880%0.795SS**PPolyproline II helixtrans-53150.8177.3-83.3142.7000114.2
411P51.2Low50.9Low117 Ų117155 Ų15576%0.7680%0.798SS**PPolyproline II helixtrans-89.7144.8-18034.5-30000113
412E52.8Low50.8Low202 Ų202153.5 Ų153.594%0.94479%0.789SS**PPolyproline II helixtrans-85.6136.6164.8-77.8-174.1154.300110.8
413E55.2Low50.5Low182 Ų182157.4 Ų157.485%0.8580%0.799SS**PPolyproline II helixtrans-72.6164.4-173.7-90.3-100.4145.400114.8
414P48.4Very low50.6Low92 Ų92155.2 Ų155.260%0.59780%0.798SS**PPolyproline II helixtrans-101.5154.1-152.938-31.2000114.6
415Y46.1Very low50.9Low235 Ų235152 Ų15292%0.92280%0.797SS**  trans-89.2108.3161-77.3-85.4000110
416Q50.6Low51Low162 Ų162158.2 Ų158.276%0.75782%0.822SS**  trans-73.7128.6163.3-68.3-162.5-1.900109.9
417Q48.5Very low51.8Low197 Ų197161.1 Ų161.192%0.92183%0.829SS**  trans-125111.1156.6-139.9164.810.600108.5
418N46Very low52Low118 Ų118159.3 Ų159.363%0.63183%0.825SS**  trans-65.6131.2-174.6-61.3-35.8000111.4
419S53.3Low52.5Low120 Ų120156.3 Ų156.384%0.83982%0.824SS**  trans-143.1103.2142.354.90000109.4
420W47.2Very low52.1Low224 Ų224158.3 Ų158.385%0.84883%0.826SS**  trans-63.5154.9161.2-68.333.6000107
421S59.9Low52.5Low98 Ų98157.7 Ų157.769%0.68582%0.823SS**  cis-175.4-177.323-129.80000107.4
422P61.5Low52.6Low97 Ų97160.4 Ų160.463%0.6383%0.827SS**  trans-109.5173.9-132.826.8-3.9000112.5
423Y54.8Low52.6Low230 Ų230157.4 Ų157.490%0.90282%0.819SS**  trans172106.3132.5-93.7-69.1000109.7
424G55.1Low52.4Low73 Ų73155.5 Ų155.575%0.75382%0.817SS**  73.9148.7127.300000120.6
425P59.2Low52.7Low128 Ų128160.8 Ų160.883%0.83184%0.835SS**  trans-107.2154.7-150.538.1-27.3000114.5
426L50.4Low53.3Low248 Ų248154.1 Ų154.1100%1.29883%0.827SS**  trans-144.40131.4-104.5169.5000108.6

Retrieved 426 of 426 residues in 449.1 ms (Link to these results)