A0A096MW54_PAPAN Loading...

Dentin matrix acidic phosphoprotein 1

AlphaFold DB , UniProt , Accession A0A096MW54, Species PAPAN (Papio anubis, Olive baboon), Gene DMP1, Length 506 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
1M59.3Low68.2Low194 Ų194132.3 Ų132.396%0.95665%0.652SS**  0-84.60-70.7-178.2175.100112.5I3 S4 I5M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 3.33Å; M1-I3 VanDerWaalsContact O-N 3.14Å; M1-S4 WeakPolarHBondContact O-CA 3.45Å; M1-S4 VanDerWaalsContact O-CB 3.29Å; M1-S4 WeakPolarHBondContact O-CB 2.94Å; M1-S4 PolarHBondContact O-N 2.61Å; M1-S4 PolarHBondContact O-OG 2.67Å; M1-I5 PolarHBondContact O-N 3.3Å; M1-I5 VanDerWaalsContact O-N 3.08Å
2K57.4Low68.3Low186 Ų186124.9 Ų124.981%0.80964%0.635SS**Hα-helixtrans-53.3-40.3-172.3-69.3-173.7178.2-179.20115.2I5 L6K2-I5 PolarHBondContact O-N 3.32Å; K2-L6 PolarHBondContact O-N 3.47Å; K2-L6 VanDerWaalsContact O-N 3.14Å
3I70.4Confident68.1Low145 Ų145124.9 Ų124.974%0.74464%0.637SS**Hα-helixtrans-66.7-41.1176.6-61.9167.1000111.6M1 I5 L6 L7M1-I3 VanDerWaalsContact C-N 3.32Å; M1-I3 PolarHBondContact O-N 3.33Å; M1-I3 VanDerWaalsContact O-N 3.14Å; I3-I5 VanDerWaalsContact C-N 3.34Å; I3-I5 PolarHBondContact O-N 3.28Å; I3-L6 WeakPolarHBondContact O-CB 3.41Å; I3-L6 PolarHBondContact O-N 2.79Å; I3-L7 PolarHBondContact O-N 3.14Å
4S66.6Low67.5Low71 Ų71121.9 Ų121.950%0.49763%0.633SS.*Hα-helixtrans-60.8-42.8177.1-40.70000111.6M1 L7 T8M1-S4 WeakPolarHBondContact O-CA 3.45Å; M1-S4 VanDerWaalsContact O-CB 3.29Å; M1-S4 WeakPolarHBondContact O-CB 2.94Å; M1-S4 PolarHBondContact O-N 2.61Å; M1-S4 PolarHBondContact O-OG 2.67Å; S4-L7 WeakPolarHBondContact O-CB 3.42Å; S4-L7 PolarHBondContact O-N 3.25Å; S4-T8 PolarHBondContact O-N 3.48Å; S4-T8 PolarHBondContact O-OG1 3.15Å
5I71.8Confident66.9Low94 Ų94120.4 Ų120.448%0.48264%0.635SS.*Hα-helixtrans-63.3-43.6177-65.2166.1000110.5M1 K2 I3 L7 T8 F9M1-I5 PolarHBondContact O-N 3.3Å; M1-I5 VanDerWaalsContact O-N 3.08Å; K2-I5 PolarHBondContact O-N 3.32Å; I3-I5 VanDerWaalsContact C-N 3.34Å; I3-I5 PolarHBondContact O-N 3.28Å; I5-L7 VanDerWaalsContact C-N 3.31Å; I5-L7 PolarHBondContact O-N 3.46Å; I5-T8 WeakPolarHBondContact CA-OG1 3.23Å; I5-T8 PolarHBondContact O-N 3.36Å; I5-T8 PolarHBondContact O-OG1 3.41Å; I5-F9 HydrophobicContact CG2-CD2 3.82Å; I5-F9 HydrophobicContact CG2-CE2 3.87Å; I5-F9 WeakPolarHBondContact O-CD2 3.47Å; I5-F9 PolarHBondContact O-N 3.03Å
6L72.9Confident66.4Low111 Ų111117.8 Ų117.858%0.58164%0.636SS**Hα-helixtrans-60.4-40.9174.1-114.4164.5000112K2 I3 F9 L10K2-L6 PolarHBondContact O-N 3.47Å; K2-L6 VanDerWaalsContact O-N 3.14Å; I3-L6 WeakPolarHBondContact O-CB 3.41Å; I3-L6 PolarHBondContact O-N 2.79Å; L6-F9 PolarHBondContact O-N 3.36Å; L6-L10 HydrophobicContact CD2-CD1 4.1Å; L6-L10 WeakPolarHBondContact O-CB 3.34Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 3.11Å
7L71.1Confident65.7Low118 Ų118118.4 Ų118.462%0.61864%0.638SS**Hα-helixtrans-65.3-41.8178.1-157.375.6000112I3 S4 I5 L10 W11I3-L7 PolarHBondContact O-N 3.14Å; S4-L7 WeakPolarHBondContact O-CB 3.42Å; S4-L7 PolarHBondContact O-N 3.25Å; I5-L7 VanDerWaalsContact C-N 3.31Å; I5-L7 PolarHBondContact O-N 3.46Å; L7-L10 PolarHBondContact O-N 2.76Å; L7-W11 WeakPolarHBondContact O-CB 3.37Å; L7-W11 PolarHBondContact O-N 3.16Å
8T71.9Confident65.1Low92 Ų92118.4 Ų118.456%0.56465%0.645SS**Hα-helixtrans-67.2-36.9175.247.60000112.6S4 I5 G12S4-T8 PolarHBondContact O-N 3.48Å; S4-T8 PolarHBondContact O-OG1 3.15Å; I5-T8 WeakPolarHBondContact CA-OG1 3.23Å; I5-T8 PolarHBondContact O-N 3.36Å; I5-T8 PolarHBondContact O-OG1 3.41Å; T8-G12 PolarHBondContact O-N 3.48Å
9F68.8Low64.5Low153 Ų153119.1 Ų119.167%0.67165%0.654SS**Hα-helixtrans-66.6-42.3173.6-90.2-71.4000112.4I5 L6 G12 L13I5-F9 HydrophobicContact CG2-CD2 3.82Å; I5-F9 HydrophobicContact CG2-CE2 3.87Å; I5-F9 WeakPolarHBondContact O-CD2 3.47Å; I5-F9 PolarHBondContact O-N 3.03Å; L6-F9 PolarHBondContact O-N 3.36Å; F9-G12 PolarHBondContact O-N 3.07Å; F9-L13 WeakPolarHBondContact O-CB 3.48Å; F9-L13 PolarHBondContact O-N 2.93Å
10L69.7Low63.9Low103 Ų103117.6 Ų117.654%0.53966%0.657SS.*Hα-helixtrans-64.6-38176.5-82.2158.5000112.5L6 L7 S14L6-L10 HydrophobicContact CD2-CD1 4.1Å; L6-L10 WeakPolarHBondContact O-CB 3.34Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 3.11Å; L7-L10 PolarHBondContact O-N 2.76Å; L10-S14 PolarHBondContact O-N 3.34Å; L10-S14 PolarHBondContact O-OG 3.1Å
11W70.3Confident63.2Low188 Ų188123 Ų12371%0.71267%0.668SS**Hα-helixtrans-66.2-50.5173.1-164.5-12.6000111.2L7 L13 S14 C15L7-W11 WeakPolarHBondContact O-CB 3.37Å; L7-W11 PolarHBondContact O-N 3.16Å; W11-L13 VanDerWaalsContact C-N 3.31Å; W11-L13 PolarHBondContact O-N 3.32Å; W11-S14 WeakPolarHBondContact O-CB 3.33Å; W11-S14 PolarHBondContact O-N 3.3Å; W11-C15 PolarHBondContact O-N 2.82Å
12G69.8Low62.4Low44 Ų44123.5 Ų123.545%0.45466%0.66SS.*Hα-helixtrans-56.8-42.417800000113.1T8 F9 S14 C15 A16T8-G12 PolarHBondContact O-N 3.48Å; F9-G12 PolarHBondContact O-N 3.07Å; G12-S14 VanDerWaalsContact C-N 3.27Å; G12-S14 PolarHBondContact O-N 2.6Å; G12-C15 PolarHBondContact O-N 2.69Å; G12-A16 PolarHBondContact O-N 2.73Å
13L64.7Low61.8Low125 Ų125122.7 Ų122.765%0.65466%0.659SS**Hα-helixtrans-66.2-28.7177.4-150.676000112.9F9 W11 C15 A16F9-L13 WeakPolarHBondContact O-CB 3.48Å; F9-L13 PolarHBondContact O-N 2.93Å; W11-L13 VanDerWaalsContact C-N 3.31Å; W11-L13 PolarHBondContact O-N 3.32Å; L13-C15 VanDerWaalsContact C-N 3.34Å; L13-A16 PolarHBondContact O-N 2.9Å
14S60.4Low60.6Low83 Ų83122.4 Ų122.458%0.5866%0.659SS**Hα-helixtrans-71.9-27.1175.4-57.50000112.8L10 W11 G12L10-S14 PolarHBondContact O-N 3.34Å; L10-S14 PolarHBondContact O-OG 3.1Å; W11-S14 WeakPolarHBondContact O-CB 3.33Å; W11-S14 PolarHBondContact O-N 3.3Å; G12-S14 VanDerWaalsContact C-N 3.27Å; G12-S14 PolarHBondContact O-N 2.6Å
15C59Low59.4Low99 Ų99125.9 Ų125.967%0.66967%0.672SS**Hα-helixtrans-84.8-14.5176-63.50000113.6W11 G12 L13W11-C15 PolarHBondContact O-N 2.82Å; G12-C15 PolarHBondContact O-N 2.69Å; L13-C15 VanDerWaalsContact C-N 3.34Å
16A58.7Low58.3Low78 Ų78130 Ų13065%0.64569%0.69SS**SBendtrans-94.5-4.7-177.800000114.2G12 L13G12-A16 PolarHBondContact O-N 2.73Å; L13-A16 PolarHBondContact O-N 2.9Å
17L54.8Low56.9Low128 Ų128130.2 Ų130.267%0.6770%0.7SS**SBendtrans-79.1123.2175.7-77.3162000110.1V19L17-V19 PolarHBondContact O-N 2.8Å
18P54.7Low55.7Low119 Ų119133.9 Ų133.977%0.77371%0.714SS**  trans-65.1124.3176.826.5-33.2000109.8A20P18-A20 PolarHBondContact O-N 2.9Å
19V52.4Low54.1Low132 Ų132134.9 Ų134.980%0.873%0.725SS**  trans-64.6101.3170.5177.20000107.8L17 R21L17-V19 PolarHBondContact O-N 2.8Å; V19-R21 PolarHBondContact O-N 3.3Å
20A52.8Low52.9Low88 Ų88133.3 Ų133.373%0.72773%0.733SS**  trans-60.3101.1172.400000108.6P18 Y22P18-A20 PolarHBondContact O-N 2.9Å; A20-Y22 VanDerWaalsContact C-N 3.28Å; A20-Y22 PolarHBondContact O-N 2.89Å
21R49.1Very low51.5Low233 Ų233136.9 Ų136.988%0.87975%0.747SS**  trans-66.692.3172.7-75.4-170.3178.3-176.81.3108.2V19 Q23V19-R21 PolarHBondContact O-N 3.3Å; R21-Q23 PolarHBondContact O-N 2.97Å
22Y43.2Very low50.2Low204 Ų204136.2 Ų136.280%0.875%0.752SS**  trans-59.4103.6172.9-143.6-94.2000107.9A20 N24A20-Y22 VanDerWaalsContact C-N 3.28Å; A20-Y22 PolarHBondContact O-N 2.89Å; Y22-N24 PolarHBondContact O-N 3.4Å
23Q45.6Very low48.7Very low169 Ų169145.9 Ų145.979%0.7977%0.774SS**  trans-71.5117168.5-75.3-173.5-18.300106.9R21 N25R21-Q23 PolarHBondContact O-N 2.97Å; Q23-N25 PolarHBondContact O-N 2.84Å
24N43.1Very low47.2Very low138 Ų138148.9 Ų148.974%0.73878%0.782SS**  trans-70.392.6179.4-71.3-28.1000109.6Y22 E26Y22-N24 PolarHBondContact O-N 3.4Å; N24-E26 VanDerWaalsContact C-N 3.31Å; N24-E26 PolarHBondContact O-N 2.75Å; N24-E26 VanDerWaalsContact O-N 3.15Å
25N43.3Very low46Very low144 Ų144148 Ų14877%0.7779%0.787SS**  trans-75.895.7154-78.75.6000107.4Q23 S27Q23-N25 PolarHBondContact O-N 2.84Å; N25-S27 PolarHBondContact O-N 3.22Å
26E46.8Very low44.6Very low182 Ų182152 Ų15285%0.8580%0.795SS**  trans-34.3123.2166.552.4-156.263.400112.5N24N24-E26 VanDerWaalsContact C-N 3.31Å; N24-E26 PolarHBondContact O-N 2.75Å; N24-E26 VanDerWaalsContact O-N 3.15Å
27S44Very low43.5Very low115 Ų115154.7 Ų154.780%0.80480%0.798SS**  trans-127.7119171.4-66.30000107N25N25-S27 PolarHBondContact O-N 3.22Å
28E47.3Very low42.5Very low195 Ų195154.6 Ų154.691%0.91180%0.803SS**  trans-71.1173.9-170.1-56.1170119.300112.5
29S37Very low41.5Very low113 Ų113157.3 Ų157.379%0.7981%0.805SS**  trans93.692172.7-162.40000117.8
30S43.3Very low40.7Very low119 Ų119155 Ų15583%0.83280%0.8SS**  -166115.3108.218.60000110.8
31E40.8Very low40.1Very low178 Ų178157 Ų15783%0.83281%0.805SS**  trans-76.3124.2-178.2-65.9160.695.300111.9
32E43.2Very low39.7Very low174 Ų174152.2 Ų152.281%0.81380%0.803SS**  trans-77.6125.717266.8170.8130.100112K34E32-K34 PolarHBondContact O-N 3.15Å
33W38.3Very low39.8Very low247 Ų247148.2 Ų148.294%0.93680%0.801SS**  trans-84.3105.1-178.8-88.445.3000112
34K34.2Very low39.3Very low188 Ų188145.6 Ų145.682%0.81780%0.799SS**  trans-148.649.6173.6-128168.9-168.81700118.2E32E32-K34 PolarHBondContact O-N 3.15Å
35G34.9Very low38.8Very low65 Ų65147 Ų14767%0.6781%0.805SS**  trans62133.9139.100000121.5
36H29.6Very low38.4Very low183 Ų183148.8 Ų148.885%0.84781%0.809SS**  -163.3155.6112.2-99.9133.6000113
37L35.3Very low37.6Very low135 Ų135145.5 Ų145.571%0.70781%0.806SS**  trans18.1137.4158.3-8768.6000121.7
38T34.2Very low37.1Very low126 Ų126146.1 Ų146.177%0.77381%0.811SS**  trans66.8148.7145.753.10000118.2
39Q33Very low36.6Very low175 Ų175146.2 Ų146.282%0.81881%0.811SS**  cis-164.1146.6-11.8161.6174.81.700107.7
40A35.2Very low36.3Very low85 Ų85145.9 Ų145.970%0.70281%0.809SS**  trans-75.4153.8177.800000112.6
41P40.7Very low36.1Very low128 Ų128145 Ų14583%0.83180%0.803SS**  -140.7-169.5102.539.5-26000115.1
42T40.6Very low35.9Very low134 Ų134146.4 Ų146.482%0.82281%0.806SS**  trans-89.4166.8-161.632.20000116.4
43P45Very low35.6Very low119 Ų119141.8 Ų141.877%0.77381%0.806SS**  trans-95.6164.5-173.938.4-36.8000114.4
44P35Very low35.4Very low115 Ų115135.3 Ų135.375%0.74780%0.798SS**  trans-118.3128.2157.535.6-23.9000112.5
45L32.3Very low35.6Very low166 Ų166135.1 Ų135.187%0.86980%0.797SS**  174.1112.3114.9-94167.8000111.1
46E34.7Very low35.7Very low182 Ų182137.1 Ų137.185%0.8580%0.796SS**  trans-74.4136.8155.6-59-179.6109.300109.3
47S32Very low35.8Very low113 Ų113135.1 Ų135.179%0.7979%0.792SS**  176.7118.812234.80000111.3
48S33.6Very low36Very low129 Ų129132.2 Ų132.290%0.90278%0.782SS**  trans-94.8120.3170.1-56.40000109.7
49E35.9Very low36.2Very low196 Ų196133.9 Ų133.992%0.91678%0.781SS**  trans-148.8163.1150.760.8178106.900113.6
50S30.5Very low36.5Very low107 Ų107132.9 Ų132.975%0.74878%0.777SS**  trans-147.9133.5-165.4161.70000109.8
51S38.4Very low36.5Very low100 Ų100136.9 Ų136.970%0.69978%0.781SS**  trans168.5149.5141.2-88.40000116.5
52K36.7Very low36.3Very low208 Ų208135 Ų13590%0.90478%0.775SS**  trans74.7137141.9-78.5168.2178168.90121.5
53G37.4Very low36.2Very low77 Ų77133.5 Ų133.579%0.79476%0.762SS**  trans123.767.8166.500000112.7
54S34.6Very low35.8Very low110 Ų110135.5 Ų135.577%0.76976%0.762SS**  76.88756.2-172.50000116.3
55K38.2Very low36.2Very low185 Ų185136.6 Ų136.680%0.80476%0.761SS**  trans84.9125.6138.5-89.9-159.9165.8-167.80122.8
56V36.6Very low37.2Very low106 Ų106132 Ų13264%0.64274%0.741SS**  trans79.9121.8137.4-58.20000122.8
57N31.7Very low37.4Very low142 Ų142128.7 Ų128.776%0.75974%0.738SS**  64.4153.6128.8-70.660.2000119.8
58S40.2Very low37.6Very low73 Ų73130.4 Ų130.451%0.5174%0.738SS.*  cis-156.2170.814.1-111.60000110.8
59E37.4Very low37.8Very low161 Ų161128.6 Ų128.675%0.75273%0.726SS**  trans43.1151.1145.3-78.5117.675.600122.3
60E39.6Very low37.9Very low154 Ų154125.7 Ų125.772%0.7272%0.722SS**  cis-172.4128.8-13.1178177102.500109.3
61H35.3Very low38.1Very low170 Ų170129.6 Ų129.679%0.78773%0.728SS**  trans63.3141.8159.1-71.2-136000117.9
62A36.8Very low38Very low87 Ų87129.3 Ų129.372%0.71973%0.726SS**  69.8143.452.500000113
63N37.6Very low38Very low103 Ų103127.6 Ų127.655%0.55172%0.721SS**  cis-94.7-1133.4-167.723.4000111.6
64E37.5Very low38Very low162 Ų162132.7 Ų132.776%0.75772%0.724SS**  cis-162.9146.70.4-158.5103.1-96.900109.5
65D42.8Very low37.9Very low138 Ų138130.7 Ų130.774%0.73872%0.721SS**  trans-141.1-127.5170.4-146.2-25.5000108.5
66P53.8Low37.9Very low70 Ų70130.7 Ų130.746%0.45573%0.729SS.*  cis-126.8168.3-19.943-28.6000116D277P66-D277 WeakPolarHBondContact CG-OD2 3.41Å
67S38.8Very low37.6Very low112 Ų112129.5 Ų129.578%0.78374%0.738SS**  trans53.4135.6146.3-63.40000124.9
68D35.9Very low38.2Very low148 Ų148128.2 Ų128.279%0.79174%0.741SS**  trans90.7115.4139.2-117.8-24.2000124.6
69S39.4Very low38.1Very low92 Ų92132.2 Ų132.264%0.64376%0.756SS**  trans4.5136.6146.6-43.40000122.8
70T37.8Very low38.1Very low135 Ų135132.1 Ų132.183%0.82876%0.761SS**  169.9176.6106.435.90000112.2
71E34.9Very low38.3Very low188 Ų188130.8 Ų130.888%0.87976%0.758SS**  trans73.2147.8171.5109.2170.4109.100116.6
72S34.9Very low38.6Very low95 Ų95129.9 Ų129.966%0.66476%0.755SS**  cis-148.3173-11.8-83.50000107.1
73E36.3Very low38.7Very low171 Ų171135.3 Ų135.380%0.79976%0.758SS**  166.4168.271.3179.815392.600110.2
74E38.3Very low38.7Very low184 Ų184138.1 Ų138.186%0.8677%0.771SS**  trans54.6149.2160.566.4-179.2176.700123.5
75G31.5Very low38.6Very low68 Ų68140.2 Ų140.270%0.70177%0.774SS**  cis170134.9-12.800000118
76L39.2Very low38.3Very low186 Ų186144.6 Ų144.697%0.97478%0.78SS**  trans70.6134.1148.6-52.5178.9000123.5
77G31.2Very low38.1Very low81 Ų81146.4 Ų146.484%0.83579%0.791SS**  trans111.1134.715500000115.9
78S42.6Very low37.9Very low115 Ų115145 Ų14580%0.80479%0.787SS**  cis-154.2168.9-5.659.10000112.3
79D38.2Very low37.9Very low157 Ų157142.1 Ų142.184%0.8479%0.792SS**  trans-64.2155.7-173.2-40.7-109.7000115.7
80D38.2Very low37.7Very low158 Ų158141.2 Ų141.285%0.84580%0.797SS**  -161.316199.5-141.1-21.9000112
81D43.1Very low37.6Very low126 Ų126145.1 Ų145.167%0.67480%0.803SS**  trans-124.9161.3-161.4-148-10.1000112.5
82Q42.5Very low37.7Very low152 Ų152141.9 Ų141.971%0.7180%0.801SS**  trans142.2108.7139.7-74.5164.294.800118.8
83Y38.8Very low38.2Very low201 Ų201149.4 Ų149.479%0.78882%0.815SS**  trans42.3137.7140.6-50.8-79.6000121.7
84I37.9Very low38.3Very low162 Ų162146.1 Ų146.183%0.83181%0.811SS**  -161.3153.559.5-81.5-178.4000112.1
85Y35Very low38.3Very low206 Ų206143.8 Ų143.881%0.80881%0.81SS**  trans-68.3145.8176.4-85.8-112.6000116.7P87Y85-P87 HydrophobicContact CD1-CG 4.49Å
86R35.9Very low38.5Very low230 Ų230144.5 Ų144.587%0.86882%0.817SS**  trans-160.399.1136.7-159176.7-156.2-95.31.8116.4
87P49.1Very low38.7Very low107 Ų107144.2 Ų144.270%0.69581%0.808SS**  trans-102130.8166.334.7-28.4000112.3Y85Y85-P87 HydrophobicContact CD1-CG 4.49Å
88A35.4Very low39.3Very low84 Ų84148.7 Ų148.769%0.69481%0.807SS**  trans-161.5112.9171.500000114.4
89G36.4Very low39.3Very low86 Ų86146.3 Ų146.389%0.88780%0.8SS**  trans81.9139.9166.600000115.4
90G34.8Very low39.8Very low74 Ų74146.2 Ų146.276%0.76380%0.8SS**  cis151.799.2-5.600000112.3
91F35.2Very low40.7Very low217 Ų217145.9 Ų145.995%0.95280%0.798SS**  trans-60135.6-179.1-59.8-84.3000113.2
92S38.2Very low41.5Very low120 Ų120148.3 Ų148.384%0.83980%0.803SS**  trans-157.1119.5155.4-80.60000110.5
93R44.8Very low42.1Very low252 Ų252147.7 Ų147.795%0.95181%0.805SS**  trans-81139172.2-66.4160.465.1-171.44.7109.5
94S38Very low43.1Very low103 Ų103145.3 Ų145.372%0.7281%0.805SS**  trans-156143.3158.657.70000112.8
95T38.1Very low44.2Very low135 Ų135144.1 Ų144.183%0.82880%0.801SS**  trans51.8100.9156.653.10000117.7
96G36.3Very low45.4Very low83 Ų83143.4 Ų143.486%0.85681%0.805SS**  trans-78165.316200000112.8
97K43.1Very low46.6Very low179 Ų179139.2 Ų139.278%0.77880%0.799SS**  trans-162.7107.9172.6178.3156.6177.341.90105
98E43Very low47Very low176 Ų176141.5 Ų141.582%0.82281%0.806SS**  58.386.667-166.3-174.8-150.400111.3
99G44.4Very low48.3Very low64 Ų64141.8 Ų141.866%0.6680%0.803SS**  trans172.3101.1-179.100000111.5
100D48.3Very low49.3Very low156 Ų156140.5 Ų140.583%0.83479%0.79SS**  trans62.1101.7152.9-48.6-14.9000118.7
101D56.2Low50.5Low151 Ų151143.1 Ų143.181%0.80779%0.786SS**  trans-60136.7161.7-39.7-79.6000110.4
102K60.3Low51.5Low176 Ų176139.8 Ų139.877%0.76578%0.778SS**  trans-151.373.6167.6-82.7-155.5165-136.30109.5D104K102-D104 PolarHBondContact O-N 2.96Å
103D54.9Low52.4Low140 Ų140139.4 Ų139.475%0.74977%0.771SS**  trans-71.6100.1158.3-48.8-57.3000105.8D105D103-D105 VanDerWaalsContact C-N 3.3Å
104D60.8Low52.8Low151 Ų151137.1 Ų137.181%0.80777%0.768SS**  trans-100.959.3177.2-139.818.8000106.6K102K102-D104 PolarHBondContact O-N 2.96Å
105D60Low53.4Low136 Ų136135.2 Ų135.273%0.72777%0.765SS**  trans-66.6161.3168.1-66.9-49.3000109.7D103D103-D105 VanDerWaalsContact C-N 3.3Å
106E60.3Low53.7Low192 Ų192136.3 Ų136.390%0.89777%0.766SS**  trans8976.3-174.5-56.2-164-145.800116.9
107D61.4Low54.3Low141 Ų141139.2 Ų139.275%0.75476%0.762SS**  trans-123.560.3141.8-165.3-0.9000109.1S109D107-S109 PolarHBondContact O-N 2.91Å; D107-S109 VanDerWaalsContact O-N 3.14Å; D107-S109 VanDerWaalsContact OD1-CB 3.31Å; D107-S109 WeakPolarHBondContact OD1-CB 3.49Å; D107-S109 PolarHBondContact OD1-OG 3.32Å
108D58.1Low54.7Low156 Ų156138.3 Ų138.383%0.83477%0.765SS**  trans-83.356.8169.4-168.821.3000109.6G110D108-G110 PolarHBondContact O-N 3.24Å
109S61.1Low55.1Low89 Ų89135.1 Ų135.162%0.62276%0.763SS**  trans-7874.3176.846.60000110.6D107 D111D107-S109 PolarHBondContact O-N 2.91Å; D107-S109 VanDerWaalsContact O-N 3.14Å; D107-S109 VanDerWaalsContact OD1-CB 3.31Å; D107-S109 WeakPolarHBondContact OD1-CB 3.49Å; D107-S109 PolarHBondContact OD1-OG 3.32Å; S109-D111 PolarHBondContact O-N 3.45Å
110G58.3Low54.9Low60 Ų60135 Ų13562%0.61976%0.762SS**  trans-58.198.9175.700000112.8D108 D112D108-G110 PolarHBondContact O-N 3.24Å; G110-D112 PolarHBondContact O-N 3.17Å
111D58.9Low54.7Low129 Ų129133.5 Ų133.569%0.6976%0.76SS**  trans-78.261.1174.2-169.59.4000111.4S109 T113S109-D111 PolarHBondContact O-N 3.45Å; D111-T113 PolarHBondContact O-N 3.01Å; D111-T113 WeakPolarHBondContact OD1-CB 3.44Å; D111-T113 VanDerWaalsContact OD1-CG2 3.23Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.47Å; D111-T113 PolarHBondContact OD1-OG1 3.26Å
112D57.5Low53.8Low147 Ų147129.8 Ų129.879%0.78676%0.757SS**  trans-75.163.2163.5-82.9-43.3000109.2G110 F114G110-D112 PolarHBondContact O-N 3.17Å; D112-F114 PolarHBondContact O-N 3.36Å
113T57.8Low52.9Low112 Ų112127.5 Ų127.569%0.68776%0.76SS**  trans-65.3105.6171.420.10000109.9D111D111-T113 PolarHBondContact O-N 3.01Å; D111-T113 WeakPolarHBondContact OD1-CB 3.44Å; D111-T113 VanDerWaalsContact OD1-CG2 3.23Å; D111-T113 WeakPolarHBondContact OD1-CG2 3.47Å; D111-T113 PolarHBondContact OD1-OG1 3.26Å
114F52.7Low52.4Low203 Ų203130 Ų13089%0.8977%0.765SS**  trans-36.2140.7177.1-67-96.6000114.5D112D112-F114 PolarHBondContact O-N 3.36Å
115G49.8Very low51.4Low63 Ų63129.7 Ų129.765%0.64976%0.763SS**  trans-54.1146.8-173.900000115.3D117G115-D117 PolarHBondContact O-N 3.22Å
116D44.3Very low50.3Low158 Ų158134 Ų13485%0.84577%0.769SS**  trans-63.367.416649.1-33000111.7D118D116-D118 PolarHBondContact O-N 3.2Å
117D49.7Very low49Very low145 Ų145132.8 Ų132.878%0.77576%0.763SS**  trans-72.867.5172.7-139.1-16.1000109.5G115 S119G115-D117 PolarHBondContact O-N 3.22Å; D117-S119 PolarHBondContact O-N 3.4Å
118D50.9Low47.8Very low159 Ų159133.6 Ų133.685%0.8576%0.763SS**  trans-7557.2-170.7-143.66.2000111.9D116 G120D116-D118 PolarHBondContact O-N 3.2Å; D118-G120 PolarHBondContact O-N 2.69Å
119S52.5Low46.6Very low110 Ų110129 Ų12977%0.76975%0.752SS**  trans-82.171-171.6-83.10000112.4D117D117-S119 PolarHBondContact O-N 3.4Å
120G39.5Very low45.4Very low62 Ų62128.8 Ų128.864%0.63976%0.764SS**  trans-171.6153.2163.200000116.7D118D118-G120 PolarHBondContact O-N 2.69Å
121P44.3Very low44.1Very low124 Ų124132.6 Ų132.681%0.80577%0.771SS**  cis-108.8132-4.935.8-24.7000112.6
122G36.8Very low42.8Very low72 Ų72132.2 Ų132.274%0.74278%0.778SS**PPolyproline II helixtrans-61.9130.9172.900000112.3
123P40.8Very low42.1Very low128 Ų128136.5 Ų136.583%0.83178%0.783SS**PPolyproline II helixtrans-67.3140174.527.9-33.6000110.7D125P123-D125 PolarHBondContact O-N 3.14Å
124K45.8Very low41.2Very low193 Ų193137.6 Ų137.684%0.83978%0.784SS**PPolyproline II helixtrans-62.9126.5175.4-41.5105.7-179178.70109.2
125D39.6Very low40.6Very low144 Ų144130.3 Ų130.377%0.7777%0.766SS**  -178144108.9-95.5-15.1000114.7P123P123-D125 PolarHBondContact O-N 3.14Å
126R35.6Very low40.2Very low228 Ų228130.9 Ų130.986%0.8676%0.76SS**  trans65.4100.8152.3-74.3-178.9172.2169.6-0.3120.8E128R126-E128 PolarHBondContact O-N 2.92Å
127Q34.2Very low40.4Very low165 Ų165130.9 Ų130.977%0.77176%0.76SS**  -31.4125.4121.1-89.4-176.6-8700112
128E35.3Very low40.2Very low158 Ų158132.5 Ų132.574%0.73876%0.763SS**  88.8146.174.7-170.8-174.1-166.400112.6R126R126-E128 PolarHBondContact O-N 2.92Å
129G33.8Very low39.4Very low59 Ų59130.4 Ų130.461%0.60875%0.752SS**  trans65.271.714700000117.9
130G36.1Very low38.9Very low86 Ų86130.3 Ų130.389%0.88775%0.751SS**  trans-69130.317000000113.3
131N29.9Very low38.9Very low140 Ų140135.3 Ų135.375%0.74976%0.763SS**  trans-149.1134.5168.34930.6000113.5
132S31.8Very low38.5Very low120 Ų120136.8 Ų136.884%0.83976%0.764SS**  trans59.7160.9156.9-56.60000121.1
133R42Very low38.4Very low237 Ų237139.4 Ų139.489%0.89477%0.766SS**  trans-160.8163.4173.3-59.4-171.7-178.2169.91107.9
134L40.1Very low38.3Very low135 Ų135139.2 Ų139.271%0.70776%0.757SS**  cis-129.9162.8-4.4-71.182.9000107.6
135G39.1Very low37.6Very low50 Ų50137.9 Ų137.952%0.51575%0.754SS.*  cis90.578.4-21.200000117D139G135-D139 VanDerWaalsContact CA-OD2 3.25Å; G135-D139 WeakPolarHBondContact CA-OD2 3.27Å; G135-D139 PolarHBondContact N-OD2 3.31Å
136S42.3Very low37.2Very low76 Ų76136.2 Ų136.253%0.53175%0.753SS.*  trans-163.6172.7161.5-75.60000111.3E138 D139S136-E138 WeakPolarHBondContact O-CA 3.46Å; S136-E138 PolarHBondContact O-N 2.84Å; S136-D139 PolarHBondContact N-OD2 3.42Å; S136-D139 PolarHBondContact O-N 2.95Å
137D48.9Very low37Very low157 Ų157129.5 Ų129.584%0.8474%0.741SS**THydrogen-bonded Turntrans-56.7119.7149.2-57.8-79.6000107.8
138E45Very low37Very low179 Ų179129.6 Ų129.684%0.83674%0.742SS**THydrogen-bonded Turncis-126.9109.4-1.2-63.5120.4110.500111.8S136 S140S136-E138 WeakPolarHBondContact O-CA 3.46Å; S136-E138 PolarHBondContact O-N 2.84Å; E138-S140 PolarHBondContact O-N 2.96Å; E138-S140 VanDerWaalsContact O-N 3.12Å
139D34.9Very low36.8Very low116 Ų116130.9 Ų130.962%0.6275%0.748SS**  trans-74.397.7175.7-85.3-50.1000112.4G135 S136G135-D139 VanDerWaalsContact CA-OD2 3.25Å; G135-D139 WeakPolarHBondContact CA-OD2 3.27Å; G135-D139 PolarHBondContact N-OD2 3.31Å; S136-D139 PolarHBondContact N-OD2 3.42Å; S136-D139 PolarHBondContact O-N 2.95Å
140S40.8Very low37.1Very low107 Ų107131.9 Ų131.975%0.74876%0.758SS**  trans-157.185.7167-74.50000112.8E138E138-S140 PolarHBondContact O-N 2.96Å; E138-S140 VanDerWaalsContact O-N 3.12Å
141D39.9Very low37Very low168 Ų168132.6 Ų132.690%0.89876%0.755SS**  trans-177.1151.6132.6-97.3-20.6000111.2
142D36.1Very low37.8Very low154 Ų154131.8 Ų131.882%0.82476%0.758SS**  trans-66.2156.3168.5-69-76.8000111.7
143T34Very low37.9Very low127 Ų127135.6 Ų135.678%0.77976%0.762SS**  147.3108.8128.7-64.50000115.4
144I38.5Very low37.5Very low125 Ų125127.5 Ų127.564%0.64175%0.752SS**  trans38.2111.9131.1-49.5-58.2000120.1
145Q32Very low37Very low164 Ų164130.2 Ų130.277%0.76676%0.762SS**  trans41.6155132.4-51.3176.4-104.700122.6
146S30.8Very low36.6Very low109 Ų109134.6 Ų134.676%0.76277%0.773SS**  trans80.8158.7159.8-24.10000113.8
147S30.7Very low36.2Very low87 Ų87135.9 Ų135.961%0.60878%0.782SS**  cis-168.9174.3-14.636.20000108.2
148E34.5Very low35.5Very low168 Ų168132.7 Ų132.779%0.78578%0.778SS**  trans61.4165.4173-90.697.895.200114.8
149E32.3Very low35Very low185 Ų185133.1 Ų133.186%0.86478%0.78SS**  cis-155151-1845.6-172.2172.200109.3
150G39.5Very low34.7Very low79 Ų79134 Ų13481%0.81478%0.784SS**  trans157.164.4-178.600000114.2
151A33.1Very low34.5Very low101 Ų101136.8 Ų136.884%0.83579%0.789SS**  trans-72.1155-17300000114.1
152P48.3Very low34Very low124 Ų124134.4 Ų134.481%0.80578%0.781SS**  trans-95.9159.5-165.837.9-37.1000114.6
153Q33.5Very low34.1Very low199 Ų199133.4 Ų133.493%0.9379%0.786SS**  trans-157.5131.6168.3-164164-13.600114
154G32.9Very low34Very low67 Ų67134.7 Ų134.769%0.69178%0.783SS**  trans70.986.616800000115
155Q30.1Very low33.8Very low192 Ų192133.8 Ų133.890%0.89779%0.788SS**  56.4104.265.7-67-163.2-93.900116.4
156D30Very low34Very low143 Ų143136 Ų13677%0.76579%0.789SS**  trans86.6126.3137.1-142.6-8.5000120.8
157S34.7Very low34.2Very low103 Ų103139.3 Ų139.372%0.7279%0.793SS**  trans46.8120.1155.7-67.30000123.1
158A34.4Very low34.5Very low90 Ų90142.7 Ų142.774%0.74480%0.803SS**  trans89.4125.7135.600000120.1
159Q33.8Very low34.5Very low188 Ų188140.6 Ų140.688%0.87980%0.797SS**  trans70.7139.1165.9-51-169.42.100113.2
160D29.6Very low34.8Very low133 Ų133139.5 Ų139.571%0.71180%0.797SS**  cis-139.9164.547.4-135.8-30.8000115.6
161I36.3Very low34.8Very low166 Ų166144 Ų14485%0.85180%0.797SS**  trans-117.494.5174.242.2156.6000110.8
162T28.6Very low35Very low118 Ų118146.8 Ų146.872%0.72480%0.798SS**  trans-128.3104177.653.90000112.3
163S38.4Very low34.6Very low133 Ų133149.4 Ų149.493%0.9380%0.799SS**  trans-66.2127.1159.4-52.40000109.2
164E32.3Very low34.8Very low155 Ų155146.9 Ų146.972%0.72480%0.797SS**  trans-123.1141162.172.3159-120.400111.8R166E164-R166 IonicContact OE1-CZ 3.36Å; E164-R166 IonicContact OE1-NH2 3.22Å; E164-R166 PolarHBondContact OE1-NH2 2.94Å
165S33.3Very low34.9Very low106 Ų106150.8 Ų150.874%0.74180%0.802SS**  trans-82.2150.1-168.7-46.50000112.9
166R37.1Very low35.2Very low211 Ų211146.6 Ų146.680%0.79680%0.795SS**  trans-152.583.4145.9-121.8156-79.1-160.42.4112.9E164E164-R166 IonicContact OE1-CZ 3.36Å; E164-R166 IonicContact OE1-NH2 3.22Å; E164-R166 PolarHBondContact OE1-NH2 2.94Å
167E35.6Very low35.4Very low177 Ų177150.2 Ų150.283%0.82780%0.797SS**  trans-39.1132.2148.1169.7-176.8-133.700111.5
168L36.5Very low35.9Very low158 Ų158150.4 Ų150.483%0.82780%0.796SS**  trans-171.2103.7135.5-101.2-179.6000110.5
169D35.2Very low35.7Very low125 Ų125154.4 Ų154.467%0.66880%0.8SS**  trans0.2129146.9-170.517.7000118.5
170N38.2Very low35.9Very low161 Ų161150.5 Ų150.586%0.86179%0.793SS**  trans-153.6122.1143.3-96.4-88.6000109.3
171E39.2Very low36.2Very low175 Ų175152.2 Ų152.282%0.81880%0.802SS**  trans-69.3123.817258.6-160.4124.500112.9
172D37.9Very low36.2Very low159 Ų159149.6 Ų149.685%0.8580%0.798SS**  trans-156.3159.4139.5-152.43.4000112.5
173Q38.6Very low36.6Very low178 Ų178152.8 Ų152.883%0.83281%0.805SS**  trans-92.4107.5-158.6175.3168.996.300113.8
174V37.9Very low36.6Very low146 Ų146153.8 Ų153.889%0.88580%0.795SS**  trans-136.6117.7158-76.30000110.2
175D35.4Very low37.1Very low149 Ų149154.7 Ų154.780%0.79780%0.799SS**  trans-108.2122.1174.8-156.1-11000110.9
176S35.4Very low37.8Very low105 Ų105160.5 Ų160.573%0.73481%0.805SS**  trans11112.4155-38.60000119.3
177R34.3Very low38.1Very low219 Ų219157.4 Ų157.483%0.82681%0.809SS**  166.5143.6108.5-175.7171.7175.8148.3-3.2111.2
178P46.3Very low38.4Very low107 Ų107152.7 Ų152.770%0.69581%0.808SS**  trans-79.6137168.931.7-34.7000111.9
179E29.8Very low38.5Very low174 Ų174149.1 Ų149.181%0.81381%0.809SS**  trans-80.1139.1166.9-60.8-71.291.200109.2
180S37.8Very low38.8Very low106 Ų106148.9 Ų148.974%0.74181%0.812SS**  trans-158100.2168.8-66.50000107.9
181D35.3Very low39.1Very low169 Ų169147.2 Ų147.290%0.90481%0.813SS**  trans-149154.2162.8-85.8-48.7000107.2
182S36.8Very low39.3Very low110 Ų110143.8 Ų143.877%0.76980%0.8SS**  trans-125.9121.7-169.4-560000109.4
183E38.1Very low39.8Very low185 Ų185140 Ų14086%0.86480%0.799SS**  trans-125.8115.2180-15586.1172.300109.9
184E38.7Very low40.2Very low154 Ų154138.6 Ų138.672%0.7279%0.792SS**  trans-73.6148.4176.553.8-117.663.200113.9
185H41.8Very low40.4Very low175 Ų175137.5 Ų137.581%0.8179%0.791SS**  trans-120.9117.7-178.166.290.8000112.8
186W47.3Very low41Very low227 Ų227134.8 Ų134.886%0.8678%0.784SS**  trans-78133.2-170.6-72.284.4000115
187V44.4Very low41.5Very low146 Ų146138.3 Ų138.389%0.88579%0.788SS**  trans-165.3132.1142.7-96.30000106.9
188G42.4Very low41.9Very low78 Ų78132.1 Ų132.180%0.80479%0.792SS**  cis140.3104.82.800000109.5
189G38.5Very low42.2Very low83 Ų83134.8 Ų134.886%0.85680%0.801SS**  trans-170.4117.8-177.600000112.3
190V40.8Very low43.2Very low121 Ų121129.2 Ų129.273%0.73379%0.79SS**  trans-98.6156.6179.2-65.70000111.2
191S43.9Very low43.5Very low126 Ų126128.7 Ų128.788%0.88179%0.786SS**  trans-153.5102164.2-77.40000109.3
192D43.9Very low44.1Very low102 Ų102129.6 Ų129.655%0.54579%0.785SS.*  trans-69.8135.1175.9-59.6-50000111.3S401D192-S401 PolarHBondContact OD2-OG 3.12Å
193G49.3Very low44.9Very low79 Ų79133 Ų13381%0.81479%0.787SS**  trans-109.968.5175.400000112S195G193-S195 PolarHBondContact O-N 2.98Å
194E46.6Very low45.4Very low150 Ų150131.2 Ų131.270%0.70178%0.783SS**  trans-69.4120.4175.359.5167117.300111.9
195S40.9Very low46.3Very low123 Ų123130.6 Ų130.686%0.8678%0.784SS**  trans-148.4141.9157.275.90000108.9G193G193-S195 PolarHBondContact O-N 2.98Å
196S47.8Very low47Very low92 Ų92130.5 Ų130.564%0.64378%0.784SS**  trans-129.9150.3-162.7-165.70000113.2
197H47.3Very low47.5Very low179 Ų179122.6 Ų122.683%0.82977%0.773SS**  trans68.988.7169.6-47.8-57.9000117.3
198G43Very low48Very low88 Ų88124 Ų12491%0.90777%0.772SS**  trans-119.377.4152.300000109.8
199D52Low48.8Very low164 Ų164128.8 Ų128.888%0.87777%0.773SS**  trans-83.9145.9177.9-178.929.4000111.4
200G50.2Low49.7Very low57 Ų57129.2 Ų129.259%0.58876%0.763SS**  trans86.386.3168.100000117
201S44.8Very low50.3Low94 Ų94131.9 Ų131.966%0.65777%0.773SS**  -165.5109.7114.8-76.40000110.7F203S201-F203 PolarHBondContact O-N 2.79Å
202E48.7Very low50.8Low189 Ų189132.4 Ų132.488%0.88377%0.766SS**  trans-69.8120.116062.1-148141.900108.8
203F51.8Low51.8Low182 Ų182133.3 Ų133.380%0.79878%0.778SS**  trans-111.7105.2167-73-75.1000107.7S201 D205S201-F203 PolarHBondContact O-N 2.79Å; F203-D205 PolarHBondContact O-N 3.03Å; F203-D205 VanDerWaalsContact O-N 3.1Å
204D49.6Very low51.4Low147 Ų147136.1 Ų136.179%0.78677%0.774SS**  trans-62.8104.6167.5-81.2-30.4000108.9E206D204-E206 HydrophobicContact CB-CB 4.27Å; D204-E206 HydrophobicContact CB-CG 4.43Å; D204-E206 PolarHBondContact O-N 2.83Å; D204-E206 VanDerWaalsContact O-N 3.16Å
205D57.7Low51.3Low140 Ų140134.7 Ų134.775%0.74978%0.781SS**  trans-8333.8166.7-158.817.4000111.2F203 G207F203-D205 PolarHBondContact O-N 3.03Å; F203-D205 VanDerWaalsContact O-N 3.1Å; D205-G207 PolarHBondContact O-N 2.96Å
206E55.5Low51.7Low174 Ų174135.7 Ų135.781%0.81378%0.775SS**  trans-89.177.1-178.5-75.3-81.7174.900109.7D204D204-E206 HydrophobicContact CB-CB 4.27Å; D204-E206 HydrophobicContact CB-CG 4.43Å; D204-E206 PolarHBondContact O-N 2.83Å; D204-E206 VanDerWaalsContact O-N 3.16Å
207G58.8Low51.7Low60 Ų60140.8 Ų140.862%0.61978%0.78SS**  trans168.710.4172.800000122.9D205 Q209D205-G207 PolarHBondContact O-N 2.96Å; G207-Q209 PolarHBondContact O-N 2.95Å
208M55.5Low51.5Low175 Ų175137.9 Ų137.986%0.86278%0.78SS**  trans-7467.8173.6-67.4-148.7-172.700112.8
209Q59.3Low51.5Low179 Ų179140.2 Ų140.284%0.83677%0.767SS**  trans-94.196.3177.2-63.7-152.6-64.100112.5G207G207-Q209 PolarHBondContact O-N 2.95Å
210S56.5Low50.9Low92 Ų92143.9 Ų143.964%0.64377%0.769SS**  trans46.1116.5144.958.80000120D212S210-D212 VanDerWaalsContact C-N 3.33Å; S210-D212 PolarHBondContact O-N 2.99Å
211D53.8Low50.6Low177 Ų177144.2 Ų144.295%0.94777%0.772SS**  trans-64.387.6151.2-79.8-56.2000110.7
212D53.7Low50.3Low137 Ų137146.7 Ų146.773%0.73378%0.778SS**  trans-128.9125.6169.7-114.7-39.2000111.2S210 D214S210-D212 VanDerWaalsContact C-N 3.33Å; S210-D212 PolarHBondContact O-N 2.99Å; D212-D214 PolarHBondContact O-N 2.83Å; D212-D214 VanDerWaalsContact O-N 3.15Å
213P64.1Low49.6Very low122 Ų122143.5 Ų143.579%0.79278%0.777SS**  trans-94.962.3-155.538.1-39.7000115.5
214D42.1Very low49.1Very low138 Ų138145.6 Ų145.674%0.73878%0.779SS**  trans-120.556.9-176.4-119.7-35.9000115.6D212 I216D212-D214 PolarHBondContact O-N 2.83Å; D212-D214 VanDerWaalsContact O-N 3.15Å; D214-I216 PolarHBondContact O-N 3.24Å
215S44.8Very low48.6Very low120 Ų120146.8 Ų146.884%0.83978%0.782SS**  trans-77.558.4177.1-1590000113.8R217S215-R217 VanDerWaalsContact C-N 3.27Å; S215-R217 PolarHBondContact O-N 2.85Å
216I48.3Very low47.7Very low144 Ų144148.1 Ų148.174%0.73879%0.789SS**  trans-73.780.3169.751.8161.1000111.3D214 S218D214-I216 PolarHBondContact O-N 3.24Å; I216-S218 VanDerWaalsContact C-N 3.32Å; I216-S218 PolarHBondContact O-N 3.43Å
217R49.1Very low47Very low198 Ų198145.5 Ų145.575%0.74779%0.79SS**  trans-60.877.6-175.8-171.3179.2175.7166.80.1114.2S215 E219S215-R217 VanDerWaalsContact C-N 3.27Å; S215-R217 PolarHBondContact O-N 2.85Å; R217-E219 HydrophobicContact CG-CG 4.37Å; R217-E219 IonicContact CZ-OE1 2.73Å; R217-E219 IonicContact NE-OE1 2.69Å; R217-E219 PolarHBondContact NE-OE1 3.38Å; R217-E219 IonicContact NH2-OE1 3.16Å; R217-E219 PolarHBondContact NH2-OE1 2.99Å; R217-E219 PolarHBondContact O-N 2.94Å; R217-E219 VanDerWaalsContact O-N 3.11Å
218S42Very low46Very low118 Ų118147.5 Ų147.583%0.82580%0.801SS**  trans-84.271.8177-162.30000111.7I216 R220I216-S218 VanDerWaalsContact C-N 3.32Å; I216-S218 PolarHBondContact O-N 3.43Å; S218-R220 PolarHBondContact O-N 3.36Å
219E43.5Very low45Very low138 Ų138142.9 Ų142.965%0.64580%0.798SS**  trans-68.3104.8174.1-86.1179.6-147.100111.3R217 G221R217-E219 HydrophobicContact CG-CG 4.37Å; R217-E219 IonicContact CZ-OE1 2.73Å; R217-E219 IonicContact NE-OE1 2.69Å; R217-E219 PolarHBondContact NE-OE1 3.38Å; R217-E219 IonicContact NH2-OE1 3.16Å; R217-E219 PolarHBondContact NH2-OE1 2.99Å; R217-E219 PolarHBondContact O-N 2.94Å; R217-E219 VanDerWaalsContact O-N 3.11Å; E219-G221 PolarHBondContact O-N 2.98Å
220R39.6Very low43.8Very low240 Ų240143.4 Ų143.491%0.90680%0.803SS**  trans-56.8123.2-177.1-161177.2-167.5172.45111.7S218S218-R220 PolarHBondContact O-N 3.36Å
221G43.9Very low42.5Very low64 Ų64149 Ų14966%0.6682%0.816SS**  trans-70.3157.3-164.200000117.5E219E219-G221 PolarHBondContact O-N 2.98Å
222N37.3Very low41.7Very low147 Ų147146.6 Ų146.679%0.78681%0.812SS**  trans-130.859.4174.5-63.7140.2000113R224N222-R224 PolarHBondContact O-N 3.45Å
223S35.7Very low41Very low121 Ų121149.7 Ų149.785%0.84682%0.819SS**  trans-71.461.6175-59.90000113.2M225S223-M225 PolarHBondContact O-N 3.22Å
224R39.8Very low39.7Very low226 Ų226153.3 Ų153.385%0.85383%0.826SS**  trans-71.5124.8175.1-82.5-176.3168.1159.6-1.3110.9N222 N226N222-R224 PolarHBondContact O-N 3.45Å; R224-N226 PolarHBondContact O-N 2.94Å
225M39.2Very low39.5Very low173 Ų173152.3 Ų152.385%0.85283%0.83SS**  trans-79.1106.4-172.1-46.9108.287.200111.9S223 S227S223-M225 PolarHBondContact O-N 3.22Å; M225-S227 PolarHBondContact O-N 2.74Å
226N38.9Very low39.1Very low167 Ų167150 Ų15089%0.89382%0.824SS**  trans-8792.7168.9-92.26.1000111R224R224-N226 PolarHBondContact O-N 2.94Å
227S42Very low38.3Very low120 Ų120151.6 Ų151.684%0.83983%0.829SS**  trans-82.6111.617546.60000111.9M225M225-S227 PolarHBondContact O-N 2.74Å
228A37.3Very low37.7Very low102 Ų102148.3 Ų148.384%0.84383%0.826SS**  trans-152.6135.2171.800000113.1
229G34.9Very low37.2Very low78 Ų78148.6 Ų148.680%0.80482%0.819SS**  trans9060.2155.500000118.5K231G229-K231 PolarHBondContact O-N 3.34Å
230M32.5Very low36.7Very low189 Ų189149 Ų14993%0.93182%0.821SS**  trans-60.6121162.3-70176.9166.600111.8
231K30.5Very low36.4Very low211 Ų211146 Ų14692%0.91782%0.817SS**  trans-145.495.9154.8-70.8-162.9177.8-178.20110.7G229G229-K231 PolarHBondContact O-N 3.34Å
232S35.7Very low35.7Very low125 Ų125147.6 Ų147.687%0.87482%0.824SS**  trans-74.2169.7176.9-65.80000112.9
233K39.6Very low35.3Very low202 Ų202147.1 Ų147.188%0.87882%0.821SS**  trans-63156.3-173.8-67.1177.1179.8174.20114.3S235K233-S235 PolarHBondContact O-N 2.74Å
234E37.7Very low35.1Very low198 Ų198145.9 Ų145.993%0.92581%0.809SS**  trans-40.2113.4156.5178.8-174.8166.300114.1
235S37Very low34.7Very low118 Ų118143.8 Ų143.883%0.82581%0.808SS**  trans-159151.3149.659.10000108.8K233K233-S235 PolarHBondContact O-N 2.74Å
236G36.9Very low34Very low70 Ų70142.3 Ų142.372%0.72280%0.804SS**  trans-103175-167.900000116.6
237E31.8Very low33.9Very low178 Ų178142.2 Ų142.283%0.83280%0.803SS**  trans76.6120.3158-60.9-170.280.700121.1
238N35.2Very low33.3Very low130 Ų130140.2 Ų140.270%0.69580%0.801SS**  trans50.1122.9142.360.525.8000126
239N32.4Very low33Very low124 Ų124142.8 Ų142.866%0.66380%0.801SS**  trans74.8118.4134.6-78.333.2000124.5
240E33.4Very low33Very low147 Ų147144.2 Ų144.269%0.68780%0.799SS**  75.4100.8123-66.3171.6157.300122.3
241Q32.3Very low33Very low176 Ų176143.7 Ų143.782%0.82279%0.794SS**  72.5141.1126.3-67.2-168.5-101.200122.3
242A29.3Very low33.2Very low98 Ų98140.3 Ų140.381%0.8179%0.785SS**  trans67.3152.7154.500000115.9
243N30.4Very low32.9Very low136 Ų136142.3 Ų142.373%0.72779%0.785SS**  cis165.4174.1-10.9-179.823000102.9
244T30.7Very low32.5Very low96 Ų96141 Ų14159%0.58978%0.782SS**  trans64.2111.3170.354.60000114.8
245Q31.8Very low32.7Very low181 Ų181140.4 Ų140.485%0.84678%0.779SS**  78145.683.3-75177.7-101.800114.9
246D25Very low33.1Very low143 Ų143140.3 Ų140.377%0.76578%0.776SS**  trans112.3158.6138.7-141.910.9000118.7
247L34.9Very low33Very low164 Ų164142.9 Ų142.986%0.85978%0.782SS**  trans-71.4164.5-168.6-61.6155.1000113.7
248G30Very low33.1Very low79 Ų79145.1 Ų145.181%0.81478%0.783SS**  trans-176.790.9172.100000115
249D30.4Very low33.6Very low156 Ų156148.6 Ų148.683%0.83479%0.792SS**  trans-70.5173.8170.4-73.8-68.8000113.9
250S36Very low34.3Very low108 Ų108148.2 Ų148.276%0.75579%0.789SS**  trans94.9109.6166.9-39.80000114.3
251Q31.8Very low34.6Very low177 Ų177151.2 Ų151.283%0.82780%0.8SS**  74.6143.653.6-66.4-159.629.400116.1
252L35.1Very low34.7Very low141 Ų141152.2 Ų152.274%0.73880%0.796SS**  trans79.799.2157.8-70165.4000120.6
253L30.4Very low35Very low166 Ų166156.7 Ų156.787%0.86980%0.797SS**  85.7166.5118.9-126.971.7000121.7
254E30.5Very low35.4Very low174 Ų174154.5 Ų154.581%0.81379%0.793SS**  trans89.365165-149.3166-163.200120.1
255H42.5Very low35.8Very low187 Ų187158 Ų15887%0.86680%0.795SS**  trans-67.8145.6135.2-53.8-56.1000108.4
256P45.2Very low36.2Very low116 Ų116156.5 Ų156.575%0.75379%0.792SS**  -151.8159.950.940.2-20.1000118.3
257S34.2Very low36.7Very low123 Ų123153.4 Ų153.486%0.8678%0.781SS**  trans-150.490.8158.7610000115.4K259S257-K259 PolarHBondContact O-N 3.39Å
258R34.5Very low36.9Very low225 Ų225151.3 Ų151.385%0.84977%0.767SS**  trans-75.7116.5173.9173.1-170.5-83.9176.8-6.7111.8I260R258-I260 HydrophobicContact CG-CD1 4.2Å; R258-I260 HydrophobicContact CG-CG1 4.25Å
259K45.3Very low37.3Very low204 Ų204154.8 Ų154.889%0.88776%0.762SS**  trans-140.3144.4157.9-71-171.1179.6173.10110.6S257S257-K259 PolarHBondContact O-N 3.39Å
260I46.1Very low37.9Very low116 Ų116154.6 Ų154.660%0.59576%0.761SS**  trans-136.4128.6-162.9-51.9168.7000111.6R258R258-I260 HydrophobicContact CG-CD1 4.2Å; R258-I260 HydrophobicContact CG-CG1 4.25Å
261F41.2Very low38.4Very low209 Ų209155.6 Ų155.692%0.91776%0.758SS**  trans-143.288153.6-66.1-74.5000106.8
262R33.9Very low38.9Very low197 Ų197159 Ų15974%0.74376%0.763SS**  55.1112.982.7-147-157.6-80-163.8-6.3110.9S264R262-S264 WeakPolarHBondContact CA-OG 3.29Å; R262-S264 PolarHBondContact N-OG 3.27Å
263K34.3Very low39.2Very low192 Ų192155.6 Ų155.684%0.83576%0.762SS**  cis-135.9122.931.6-40.295.378.5176.70109.9
264S39Very low39.8Very low91 Ų91155.4 Ų155.464%0.63676%0.757SS**  cis73.4129.62.5-28.40000116.4R262R262-S264 WeakPolarHBondContact CA-OG 3.29Å; R262-S264 PolarHBondContact N-OG 3.27Å
265R39.7Very low40.2Very low170 Ų170155.2 Ų155.264%0.64275%0.754SS**  cis-65-160.4-4.8-130.7-168.5179.9-152.811.2111.8E268R265-E268 IonicContact CZ-OE1 3.21Å; R265-E268 IonicContact CZ-OE2 3.05Å; R265-E268 IonicContact NE-OE2 2.73Å; R265-E268 VanDerWaalsContact NH1-CD 3.34Å; R265-E268 IonicContact NH1-OE1 2.69Å; R265-E268 PolarHBondContact NH1-OE1 3.14Å; R265-E268 IonicContact NH1-OE2 3.13Å; R265-E268 PolarHBondContact NH1-OE2 3.47Å; R265-E268 IonicContact NH2-OE1 2.82Å; R265-E268 PolarHBondContact NH2-OE1 3.48Å; R265-E268 IonicContact NH2-OE2 2.6Å; R265-E268 PolarHBondContact NH2-OE2 3.08Å
266I40.3Very low40.1Very low149 Ų149152.5 Ų152.576%0.76475%0.746SS**  cis-140.7151.815.210.8173.5000107.1
267S35.9Very low39.8Very low77 Ų77150 Ų15054%0.53873%0.726SS.*  cis77.1133.29.3-540000117.2
268E37.9Very low40.2Very low120 Ų120150.3 Ų150.356%0.56172%0.718SS**  cis-114166.827.1-134.671.390.100114.9R265R265-E268 IonicContact CZ-OE1 3.21Å; R265-E268 IonicContact CZ-OE2 3.05Å; R265-E268 IonicContact NE-OE2 2.73Å; R265-E268 VanDerWaalsContact NH1-CD 3.34Å; R265-E268 IonicContact NH1-OE1 2.69Å; R265-E268 PolarHBondContact NH1-OE1 3.14Å; R265-E268 IonicContact NH1-OE2 3.13Å; R265-E268 PolarHBondContact NH1-OE2 3.47Å; R265-E268 IonicContact NH2-OE1 2.82Å; R265-E268 PolarHBondContact NH2-OE1 3.48Å; R265-E268 IonicContact NH2-OE2 2.6Å; R265-E268 PolarHBondContact NH2-OE2 3.08Å
269E40.1Very low40.5Very low152 Ų152146.9 Ų146.971%0.7172%0.717SS**  trans-54.5155.6175.450.1-104.837.500116.4
270D41.3Very low40.1Very low152 Ų152143.7 Ų143.781%0.81371%0.714SS**  cis95.4134.920.1-160.539.8000116.2
271D47.3Very low40.3Very low130 Ų130145.5 Ų145.570%0.69572%0.722SS**  trans-36.1135.9-161-72.2-23.3000121.2
272R41.4Very low40.2Very low247 Ų247142.5 Ų142.593%0.93271%0.711SS**  172144.6122.9-85.7140.1-151.6-78.8-8.5110.5
273G41.9Very low40.1Very low71 Ų71138 Ų13873%0.73270%0.698SS**  cis147.4114.1-4.400000111.4
274E43.1Very low40.4Very low161 Ų161135.9 Ų135.975%0.75270%0.701SS**  trans45.5108.9152.1-136.2173.3-177.200119.3
275F39.2Very low40.1Very low170 Ų170138.1 Ų138.175%0.74670%0.699SS**  160.7168.1120-83.1-61.8000111.9
276D41.3Very low40Very low131 Ų131135.6 Ų135.670%0.70171%0.708SS**  trans-95-166.8-152.7-63.7-89.4000116.3
277D38.3Very low39.7Very low64 Ų64135.4 Ų135.434%0.34271%0.708SS.*  trans88.2102.5160-66.8-48.2000121.6P66P66-D277 WeakPolarHBondContact CG-OD2 3.41Å
278N41.8Very low39.7Very low128 Ų128137.9 Ų137.968%0.68473%0.726SS**  62.598.3122.7-71.1-53.7000121.6
279N41.3Very low39.6Very low154 Ų154138.4 Ų138.482%0.82474%0.738SS**  trans47.7108.7130.7-169.626.6000119.5
280T36.8Very low39.2Very low137 Ų137138.8 Ų138.884%0.8474%0.739SS**  trans-144.8125.5160.2-59.40000110.9
281M50.2Low38.8Very low153 Ų153137.6 Ų137.675%0.75473%0.733SS**  trans-99.7137.6163.792.5174.1-157.700109.2
282E39Very low38.1Very low146 Ų146135.5 Ų135.568%0.68273%0.728SS**  178.2159.6125.4-98.7-128.1107.700113.5
283E31.8Very low37.5Very low102 Ų102130.6 Ų130.648%0.47772%0.721SS.*  trans48.8117.7151.2-67.6-173.8140.800122.9K285E283-K285 HydrophobicContact CB-CG 4.43Å; E283-K285 HydrophobicContact CG-CG 4.28Å; E283-K285 WeakPolarHBondContact OE1-CE 3.43Å; E283-K285 WeakPolarHBondContact OE1-CG 3.47Å; E283-K285 IonicContact OE1-NZ 2.67Å; E283-K285 PolarHBondContact OE1-NZ 3.48Å; E283-K285 IonicContact OE2-NZ 2.61Å; E283-K285 PolarHBondContact OE2-NZ 2.68Å
284V39.9Very low37.2Very low148 Ų148132.5 Ų132.590%0.89772%0.723SS**  trans-112.797.6130.9179.10000108.5
285K34.6Very low36.7Very low138 Ų138135.2 Ų135.260%0.673%0.726SS**  trans-63.6143.4171.2-70.3-177.5164.292.80111.1E283E283-K285 HydrophobicContact CB-CG 4.43Å; E283-K285 HydrophobicContact CG-CG 4.28Å; E283-K285 WeakPolarHBondContact OE1-CE 3.43Å; E283-K285 WeakPolarHBondContact OE1-CG 3.47Å; E283-K285 IonicContact OE1-NZ 2.67Å; E283-K285 PolarHBondContact OE1-NZ 3.48Å; E283-K285 IonicContact OE2-NZ 2.61Å; E283-K285 PolarHBondContact OE2-NZ 2.68Å
286S36.7Very low36.6Very low118 Ų118133.6 Ų133.683%0.82573%0.725SS**  trans-159114157.4-81.40000110.8
287D35Very low36.3Very low144 Ų144132.7 Ų132.777%0.7774%0.736SS**  trans-76146.7-174.1-56.4-91.4000114.2
288S34.6Very low35.9Very low130 Ų130131.8 Ų131.891%0.90974%0.742SS**  trans-155.7100.7148.4-81.50000110.8
289T35.3Very low35.8Very low131 Ų131131.4 Ų131.480%0.80474%0.739SS**  trans-79.6142.6169.254.70000110.8
290E32.6Very low35.3Very low160 Ų160127.3 Ų127.375%0.74873%0.733SS**  169.8129106.3-153-16494.800113
291N32Very low35.5Very low126 Ų126130.3 Ų130.367%0.67474%0.738SS**  trans57.3177.815991.370.7000119.5
292S32.7Very low35.1Very low86 Ų86128.8 Ų128.860%0.60174%0.739SS**  -165.3151.1-64.7-870000111.9
293N30.3Very low34.6Very low144 Ų144132.9 Ų132.977%0.7775%0.748SS**  trans69.8154.4145.580.469.2000122.9
294S34.2Very low34.8Very low111 Ų111138.3 Ų138.378%0.77677%0.765SS**  trans77.7154.2166.278.30000119.6
295R33.7Very low34.4Very low219 Ų219137.1 Ų137.183%0.82675%0.753SS**  179.8145.4-64171.5172.1-178.6-173.5-4.8110.6
296D37.7Very low34.3Very low136 Ų136136.1 Ų136.173%0.72776%0.763SS**  trans8.2122.5166.1-59.5-62.9000121.8
297A32.9Very low34.2Very low111 Ų111140 Ų14092%0.91777%0.765SS**  trans-168.8146.8130.400000109.7
298G30.5Very low34.2Very low46 Ų46136.7 Ų136.747%0.47477%0.766SS.*  cis164.8100.5-700000112.9
299L39.7Very low34.3Very low120 Ų120138.1 Ų138.163%0.62876%0.763SS**  trans44.2143.6158.7-60.5174.4000121.6
300G31.6Very low34.4Very low68 Ų68137.9 Ų137.970%0.70177%0.767SS**  trans176.255.9172.900000118.2
301Q40.9Very low34.5Very low200 Ų200138.7 Ų138.794%0.93577%0.771SS**  trans-92.3134.9167.6-86.9-166.3-29.900112.8
302P41.9Very low34.6Very low120 Ų120140 Ų14078%0.77977%0.773SS**  trans-137.1155138.236.2-23.8000112.1
303R28.9Very low34.7Very low233 Ų233142.9 Ų142.988%0.87978%0.781SS**  cis-164.7163.5-13.3-178.4171.8176.2137.7-1107.6
304R34.6Very low34.7Very low216 Ų216140 Ų14082%0.81577%0.773SS**  trans-66.8-175.4167.3-52.3-179.6-169.8147.81.3111.3
305D31.8Very low34.7Very low123 Ų123143.1 Ų143.166%0.65877%0.772SS**  cis-140.3172.214.4-61.9-86.9000108.5
306S33.1Very low34.5Very low116 Ų116139.5 Ų139.581%0.81177%0.765SS**  cis-155.7-162.422.5-162.70000112.5
307K35Very low34.4Very low199 Ų199138.6 Ų138.687%0.86576%0.76SS**  trans-88174177.7-58.8-179.7174.9-1720113.6
308G34.9Very low34.5Very low76 Ų76141 Ų14178%0.78475%0.754SS**  trans-165.649.2173.100000116.6
309D36.7Very low34.7Very low160 Ų160142.9 Ų142.986%0.85676%0.76SS**  trans-68.7138161.4-79.9-62.4000110.3
310S36.2Very low34.4Very low126 Ų126145.1 Ų145.188%0.88177%0.767SS**  trans-154128.8169.8-70.40000110.3
311Q35Very low34.4Very low176 Ų176149.3 Ų149.382%0.82277%0.769SS**  trans-105.2177-173.9-161.7-177.1-85.200110.4
312E34.4Very low33.8Very low155 Ų155146.4 Ų146.472%0.72476%0.759SS**  trans82.9112.1163.6-56.4-171.1140.600118.7
313D34.8Very low33.4Very low145 Ų145144.7 Ų144.778%0.77575%0.75SS**  44.5116.8124-60.37.5000120.7
314S30.5Very low33.7Very low84 Ų84142.9 Ų142.959%0.58775%0.752SS**  174129.9104.1-82.80000114.7
315K33.2Very low33.6Very low176 Ų176138.7 Ų138.777%0.76575%0.746SS**  trans62.1154.2130.6-59.2178.6-166.679.70119.3
316E30Very low34Very low144 Ų144139.3 Ų139.367%0.67375%0.754SS**  cis-177149.4-21.8-169.9-168.5123.600106.5
317N34.9Very low34Very low117 Ų117140 Ų14063%0.62675%0.748SS**  trans64.9133.6175-52.6-56.9000116
318M35.6Very low34.2Very low160 Ų160135.7 Ų135.779%0.78874%0.743SS**  -159.7133.759.9-85.4-69.4178.800112.9
319S34.1Very low34.8Very low87 Ų87137.4 Ų137.461%0.60874%0.741SS**  trans29.3132.1139.455.50000121.4
320Q34.3Very low34.4Very low167 Ų167135.2 Ų135.278%0.7874%0.738SS**  62.6140.580-100.8164-75.900112.9
321E31Very low34.2Very low156 Ų156134.4 Ų134.473%0.72973%0.732SS**  cis-160.3135.919.9-164.6153.380.300111.1
322D29.7Very low34.1Very low138 Ų138134.9 Ų134.974%0.73873%0.734SS**  trans46.9158.5133.6-157.238.8000125.8
323S33.8Very low34Very low85 Ų85133 Ų13359%0.59474%0.738SS**  trans54.1120.5152.8-80.20000121.6
324Q34.6Very low34.1Very low194 Ų194131.4 Ų131.491%0.90774%0.738SS**  179.5142.298.2-92-165.4-1100115.9
325N31.9Very low34.4Very low128 Ų128134.2 Ų134.268%0.68474%0.742SS**  trans-44146.8170.3-179.278.8000119.1
326V39.8Very low34.6Very low137 Ų137134.1 Ų134.183%0.8375%0.745SS**  trans-163.9152.1136-960000112.4
327D34.8Very low34.8Very low129 Ų129130.4 Ų130.469%0.6975%0.745SS**  trans-84153.4-171-55-107.1000116.9
328S38.8Very low34.8Very low109 Ų109132 Ų13276%0.76275%0.753SS**  14.6160.2128.9-50.30000121.2
329P47.1Very low35.1Very low113 Ų113131 Ų13173%0.73475%0.751SS**  cis-146.8-17221.444.8-25000117.8
330S28.2Very low35.6Very low114 Ų114133 Ų13380%0.79776%0.761SS**  trans73.7121.3149.1-61.80000120.8
331S31.9Very low35.7Very low108 Ų108129.8 Ų129.876%0.75576%0.757SS**  -161.6149.9121.1-134.90000112.8
332E33.7Very low36.2Very low186 Ų186131.7 Ų131.787%0.86977%0.766SS**  trans64.3100.2161.1-42.6-77.682.500119
333S31.5Very low36.2Very low116 Ų116133.4 Ų133.481%0.81177%0.77SS**  trans-117.4130.7157.6620000111.2
334S36.5Very low36Very low111 Ų111136.6 Ų136.678%0.77678%0.78SS**  trans-177.8160.7167.5-83.60000107.9
335Q36.3Very low36Very low144 Ų144132.8 Ų132.867%0.67378%0.775SS**  cis-157150.815.1-144.1169.8-78.800110.7
336E37.6Very low36.1Very low174 Ų174131.9 Ų131.981%0.81378%0.779SS**  trans48.7158148.4-76155.1-169.700122.1
337G34.6Very low35.6Very low66 Ų66133.4 Ų133.468%0.6878%0.777SS**  cis150.2141.5-6.800000113.8
338N35.5Very low35.6Very low149 Ų149131.1 Ų131.180%0.79777%0.771SS**  trans69.7115.3165.8-75.5-7000122.2
339L42.6Very low35.4Very low141 Ų141134.4 Ų134.474%0.73878%0.775SS**  44.5126.3113-56.2172.8000120.3
340P44.3Very low35.1Very low128 Ų128138.1 Ų138.183%0.83178%0.782SS**PPolyproline II helixtrans-78.4132.7146.133-29.6000110.6
341S36.7Very low35.1Very low99 Ų99140.3 Ų140.369%0.69278%0.78SS**PPolyproline II helixtrans-75.1143.8175.8-61.70000112.4
342Q40.4Very low35.4Very low196 Ų196140.7 Ų140.792%0.91678%0.777SS**PPolyproline II helixtrans-86.7117.5157.9-66.2-176.4-83.300109.2
343E30.3Very low35.7Very low174 Ų174137.8 Ų137.881%0.81377%0.772SS**  trans-152.879.3165.741.6-171.170.200113.3
344N29.8Very low35.9Very low153 Ų153137.4 Ų137.482%0.81877%0.769SS**  trans-135.8147.514656.5-7000109.2
345S33.2Very low36Very low113 Ų113138.8 Ų138.879%0.7976%0.763SS**  trans-155.2153.3-173.3-73.70000110.9
346S34.4Very low36.3Very low110 Ų110137.2 Ų137.277%0.76977%0.768SS**  trans70.1158.3171.8-58.90000116.8
347E29.7Very low36.8Very low168 Ų168138.4 Ų138.479%0.78577%0.765SS**  cis-169148-32.8-92.8-140.582.100106.3
348S35Very low37.1Very low82 Ų82137.8 Ų137.857%0.57376%0.759SS**  cis-170.3152.4-11.4-101.60000111.1
349Q34.3Very low37.2Very low178 Ų178138.5 Ų138.583%0.83276%0.763SS**  trans67.6100.1141.3-171.9-170.9-3.300120.7
350E39.8Very low36.7Very low191 Ų191139.1 Ų139.189%0.89377%0.767SS**  trans-162.3169.2143.456.1-158.8124.200109.1
351E30Very low37.2Very low160 Ų160137.8 Ų137.875%0.74876%0.758SS**  -170.8159.5-59.2173.2164.3141.300104.6
352V37.8Very low37.3Very low116 Ų116139.2 Ų139.270%0.70376%0.758SS**  trans54.6117.5171.8-75.10000121.9
353V40.3Very low37.2Very low125 Ų125135.1 Ų135.176%0.75875%0.749SS**  trans66.2109.4132.3-176.20000119E355V353-E355 PolarHBondContact O-N 2.93Å
354S35.9Very low37.3Very low108 Ų108132.7 Ų132.776%0.75575%0.746SS**  trans-55.4118158.7520000114S356S354-S356 PolarHBondContact O-N 3.49Å
355E37.6Very low37.8Very low139 Ų139131.8 Ų131.865%0.6575%0.746SS**  trans-82.595.6157.8-76.5-158.610600110.4V353 R357V353-E355 PolarHBondContact O-N 2.93Å; E355-R357 VanDerWaalsContact CD-NH2 3.27Å; E355-R357 PolarHBondContact O-N 2.83Å; E355-R357 IonicContact OE1-CZ 2.93Å; E355-R357 IonicContact OE1-NH1 2.83Å; E355-R357 IonicContact OE1-NH2 2.68Å; E355-R357 PolarHBondContact OE1-NH2 2.95Å; E355-R357 IonicContact OE2-CZ 3.51Å; E355-R357 IonicContact OE2-NH1 3.45Å; E355-R357 PolarHBondContact OE2-NH1 3.14Å; E355-R357 IonicContact OE2-NH2 3.78Å; E355-R357 PolarHBondContact OE2-NH2 2.8Å; E355-R357 VanDerWaalsContact OE2-NH2 3.16Å
356S42.6Very low37.9Very low112 Ų112131.9 Ų131.978%0.78375%0.747SS**  trans-75.785.5174.4-175.10000110.9S354 G358S354-S356 PolarHBondContact O-N 3.49Å; S356-G358 PolarHBondContact O-N 3.04Å
357R49.1Very low37.8Very low198 Ų198134.3 Ų134.375%0.74775%0.746SS**  trans-84.482.9171.6-73.5-168.1175.176.415.3111.2E355E355-R357 VanDerWaalsContact CD-NH2 3.27Å; E355-R357 PolarHBondContact O-N 2.83Å; E355-R357 IonicContact OE1-CZ 2.93Å; E355-R357 IonicContact OE1-NH1 2.83Å; E355-R357 IonicContact OE1-NH2 2.68Å; E355-R357 PolarHBondContact OE1-NH2 2.95Å; E355-R357 IonicContact OE2-CZ 3.51Å; E355-R357 IonicContact OE2-NH1 3.45Å; E355-R357 PolarHBondContact OE2-NH1 3.14Å; E355-R357 IonicContact OE2-NH2 3.78Å; E355-R357 PolarHBondContact OE2-NH2 2.8Å; E355-R357 VanDerWaalsContact OE2-NH2 3.16Å
358G40.7Very low38.2Very low54 Ų54131.3 Ų131.356%0.55774%0.738SS**  trans-166.1142.3172.500000111.2S356S356-G358 PolarHBondContact O-N 3.04Å
359D37.1Very low38.2Very low164 Ų164135.5 Ų135.588%0.87775%0.749SS**  trans48.797171.9-61.2-17.1000118.8
360N32.6Very low38.2Very low154 Ų154132.9 Ų132.982%0.82474%0.741SS**  trans-99.3111.1152.3179.547.1000109.5
361P54.8Low37.9Very low99 Ų99130.9 Ų130.964%0.64373%0.732SS**  trans-78.6146.2-179.331.2-34.7000113.1P363P361-P363 WeakPolarHBondContact O-CD 3.32Å
362D37.9Very low38.1Very low129 Ų129131.2 Ų131.269%0.6973%0.733SS**  trans-58.5122.5176.7176.20.7000112.7T364D362-T364 PolarHBondContact OD1-N 3.36Å; D362-T364 PolarHBondContact OD1-OG1 2.76Å
363P39.1Very low38Very low110 Ų110133.1 Ų133.171%0.71474%0.739SS**  trans-113.340.2-17940.7-29.7000114.6P361 T365P361-P363 WeakPolarHBondContact O-CD 3.32Å; P363-T365 PolarHBondContact O-N 3.22Å
364T31.3Very low37.7Very low123 Ų123133.3 Ų133.376%0.75575%0.746SS**  trans-94.256.3-178.353.60000116.3D362D362-T364 PolarHBondContact OD1-N 3.36Å; D362-T364 PolarHBondContact OD1-OG1 2.76Å
365T40.5Very low38.1Very low134 Ų134136 Ų13682%0.82275%0.752SS**  trans-143.473.1166.6171.70000114.6P363P363-T365 PolarHBondContact O-N 3.22Å
366S35.6Very low37.8Very low115 Ų115135.1 Ų135.180%0.80476%0.761SS**  trans-162.4137.2148.252.70000115.6
367H31.7Very low37.5Very low162 Ų162134.6 Ų134.675%0.7576%0.758SS**  trans69.890.1145-152.6-65.7000123
368V38Very low37Very low104 Ų104133.9 Ų133.963%0.6376%0.763SS**  trans12.3147.5133.3-108.90000123
369E36.3Very low36.8Very low170 Ų170140.5 Ų140.579%0.79478%0.779SS**  trans71.5136.1153.9-72.9171.6-168.100117.3
370D34.1Very low36.6Very low124 Ų124139.8 Ų139.866%0.66378%0.776SS**  cis-163.4172.1-9.3-154.9-19.6000108.9
371Q33.1Very low36.6Very low149 Ų149136.4 Ų136.470%0.69676%0.764SS**  trans23.9144.3157.7-84.6150.995.100121.5
372E33.3Very low35.9Very low166 Ų166135.9 Ų135.978%0.77676%0.762SS**  cis-169.1158.818.346-166.953.700112.1
373D37.3Very low35.8Very low157 Ų157137.7 Ų137.784%0.8477%0.767SS**  trans8.3123.5167-55.9-14000122.7
374S33.7Very low35.6Very low129 Ų129139.3 Ų139.390%0.90277%0.774SS**  trans-171.2128.2134.8-81.30000113.2
375D44Very low35.9Very low164 Ų164141.2 Ų141.288%0.87778%0.779SS**  trans-75.4136173.9-57.3-82.7000113.3
376S31.4Very low35.4Very low121 Ų121140.1 Ų140.185%0.84678%0.777SS**  trans-166.5152.7143.1-810000111.5
377S37Very low35.4Very low101 Ų101144.3 Ų144.371%0.70678%0.783SS**  trans-56.4157.5168.649.70000111.5
378E37Very low35.4Very low183 Ų183142 Ų14286%0.85579%0.786SS**  -142.5-163.851.2-77.2167.9139.600114.6
379E36.6Very low35.5Very low192 Ų192146.2 Ų146.290%0.89780%0.795SS**  trans-72.4150.7-164.2-50.4170.510900114.2
380D34.4Very low35.3Very low150 Ų150143.5 Ų143.580%0.80280%0.796SS**  179.3162.2126.9-163.830.5000114.7
381S32.5Very low35.5Very low82 Ų82145.7 Ų145.757%0.57380%0.802SS**  trans41.793151-69.70000122.4
382S40.1Very low35.5Very low88 Ų88144.5 Ų144.562%0.61581%0.81SS**  44.2152.8115.163.30000124.7
383H35.8Very low35.6Very low168 Ų168146.9 Ų146.978%0.77881%0.812SS**  trans78.1105.1163.6-47.4-69.9000120
384T34.4Very low35.7Very low143 Ų143147.8 Ų147.888%0.87781%0.811SS**  -165.9161.3117.515.20000111.4
385L37.7Very low35.9Very low163 Ų163150.1 Ų150.185%0.85381%0.808SS**  trans-73.1141.2-166.3-60.681.3000114
386S29.6Very low35.8Very low111 Ų111150.4 Ų150.478%0.77680%0.804SS**  trans-17388.3135.1-83.90000112.6S388S386-S388 PolarHBondContact O-N 3.33Å
387H35.2Very low36.2Very low203 Ų203149.4 Ų149.494%0.9480%0.803SS**PPolyproline II helixtrans-71.4122.1162.3-84-90.2000109.7
388S31.1Very low36.4Very low115 Ų115151.2 Ų151.280%0.80481%0.805SS**PPolyproline II helixtrans-82.2157.2177.3-70.40000112S386S386-S388 PolarHBondContact O-N 3.33Å
389K39.9Very low36.4Very low191 Ų191146.7 Ų146.783%0.8379%0.793SS**PPolyproline II helixtrans-64.4138.2178.3-62.9-178.6174.8-171.60113.2
390S34.1Very low36.4Very low114 Ų114146.6 Ų146.680%0.79779%0.793SS**  trans-156.1121.4146.7-68.20000104.6
391E37.8Very low36.2Very low169 Ų169143.1 Ų143.179%0.7978%0.78SS**  cis64.9127.344.5-61.2-162.8141.500114.4
392S32.1Very low36.5Very low125 Ų125144.2 Ų144.287%0.87479%0.787SS**  trans85.7137.8-172.6-440000115.1
393R36.6Very low36.2Very low215 Ų215147.4 Ų147.481%0.81179%0.793SS**  cis-163.1152.7-13.1165.2170.8164.4171.5-7.6109.7
394E38.3Very low36.3Very low177 Ų177144.6 Ų144.683%0.82779%0.792SS**  trans-65.2140178.1-53.2151.5131.400113.6
395E38.4Very low36.4Very low178 Ų178144.8 Ų144.883%0.83279%0.787SS**  trans-154.1152.9143.4-119.7152.8-137.400109.7
396Q42Very low36.6Very low169 Ų169142.2 Ų142.279%0.7978%0.783SS**  trans-79.2147.3-149.4-64.1175.6-112.400116.8D398Q396-D398 PolarHBondContact NE2-OD2 3.35Å; Q396-D398 VanDerWaalsContact NE2-OD2 3.14Å
397A39.3Very low36.9Very low100 Ų100146.3 Ų146.383%0.82679%0.787SS**  trans-143.6125.814300000108.7
398D40.7Very low37Very low140 Ų140142.8 Ų142.875%0.74979%0.785SS**  trans-102.1113.7177.7-63.9-77.6000108.9Q396Q396-D398 PolarHBondContact NE2-OD2 3.35Å; Q396-D398 VanDerWaalsContact NE2-OD2 3.14Å
399S37.7Very low37.5Very low87 Ų87146.2 Ų146.261%0.60879%0.788SS**  trans-137.5111.4167.8-84.80000109.4S401S399-S401 PolarHBondContact O-N 3Å
400E36.9Very low37.1Very low191 Ų191145.3 Ų145.389%0.89379%0.787SS**  trans-94.774.9-179.655.1-164.4116.900111.2S402E400-S402 PolarHBondContact O-N 3.26Å
401S30.7Very low37.1Very low77 Ų77144 Ų14454%0.53878%0.778SS.*  trans-68.8117.4171.8-172.90000110.4D192 S399D192-S401 PolarHBondContact OD2-OG 3.12Å; S399-S401 PolarHBondContact O-N 3Å
402S37.6Very low37.9Very low104 Ų104141.4 Ų141.473%0.72778%0.776SS**  trans-151.670.7168.671.50000110.9E400E400-S402 PolarHBondContact O-N 3.26Å
403E35Very low37.9Very low156 Ų156144.2 Ų144.273%0.72978%0.775SS**  trans-81.4137.2156.576.3161.3-148.900110.8
404S37Very low37.8Very low108 Ų108138.5 Ų138.576%0.75577%0.768SS**  trans-169.6153.6-179.2-790000109.3
405L37.7Very low38.6Very low148 Ų148136 Ų13678%0.77577%0.767SS**  trans74.282.2172.1-46.7-175.3000115.7F407L405-F407 PolarHBondContact O-N 3.31Å
406S41.5Very low38.7Very low109 Ų109136.3 Ų136.376%0.76277%0.769SS**  trans-36126.5136.853.10000113.3
407F34.8Very low38.6Very low197 Ų197136.6 Ų136.686%0.86478%0.775SS**  trans-168.2121.6150.1-89.3-60.9000109.9L405L405-F407 PolarHBondContact O-N 3.31Å
408S38Very low38.6Very low128 Ų128140.9 Ų140.990%0.89578%0.778SS**  trans-163.397.8156.2-162.50000111.2
409E40.4Very low38.3Very low187 Ų187141.8 Ų141.887%0.87478%0.783SS**  trans-141.5149.6170.3-164.3179.8131.300107.8
410E33.2Very low38.1Very low173 Ų173142.9 Ų142.981%0.80879%0.791SS**  trans62153.4-170.3-90.9-159.861.700116
411S33.4Very low38.5Very low86 Ų86139.5 Ų139.560%0.60179%0.788SS**  cis-151.8164.8-0.6-134.20000111.4
412P55.3Low38.9Very low115 Ų115140.6 Ų140.675%0.74780%0.796SS**  trans-95.2-165.5178.939.2-34.6000114.1
413E31.8Very low38.9Very low183 Ų183142.8 Ų142.886%0.85580%0.795SS**  trans85.3143.9-169.1-56.7-162.183.600114.4
414S34.3Very low38.9Very low96 Ų96143.5 Ų143.567%0.67180%0.798SS**  cis-135.9161.98.2-56.70000112.6
415P54.3Low38.8Very low125 Ų125142.1 Ų142.181%0.81280%0.801SS**  trans-99.4119.9171.835.1-28.1000113.1
416E40.3Very low38.7Very low184 Ų184143.1 Ų143.186%0.8681%0.806SS**  trans-139103.4171.8-68-170.6133.500111.5
417D40.9Very low38.3Very low174 Ų174146.7 Ų146.793%0.9381%0.811SS**  trans-155.8120.7149.8-132-25.3000109.4
418E38.3Very low38.4Very low190 Ų190141.6 Ų141.689%0.88880%0.8SS**  trans-102.9112.7-158.9-64.5-177.9100.600113.7
419N34.5Very low38.2Very low160 Ų160144.4 Ų144.486%0.85680%0.798SS**  trans-140.172.8158.9-169.72.4000111.3
420S34.5Very low38Very low110 Ų110140.6 Ų140.677%0.76979%0.792SS**  trans-82.6137.5175-77.40000112.3
421S44.3Very low38.1Very low120 Ų120138.6 Ų138.684%0.83979%0.792SS**  trans-57.2145.4175-178.40000112.8
422S39Very low38.1Very low99 Ų99140.5 Ų140.569%0.69281%0.805SS**  trans-149105.7171.1-78.70000113.4
423Q37.6Very low37Very low151 Ų151139.8 Ų139.871%0.70681%0.809SS**  57124.2129.1-68.6-172.2-10100122.6
424E35.1Very low37.1Very low170 Ų170139 Ų13979%0.79481%0.806SS**  trans44.3128.9142.172.1-146.453.500123.4
425G35.8Very low37.1Very low80 Ų80138.2 Ų138.283%0.82580%0.8SS**  trans-176.757.4177.100000118
426L36Very low36Very low168 Ų168140.9 Ų140.988%0.8880%0.802SS**  trans7.8121160.9-56.4173.5000120.1
427Q33.3Very low35.7Very low185 Ų185136 Ų13686%0.86479%0.788SS**  178.2124.8119.1-104.3178.9-139.200115.3
428S36.4Very low35.6Very low90 Ų90135.9 Ų135.963%0.62978%0.782SS**  trans60.6144.1147.4-46.70000119.7
429H34.4Very low35.4Very low186 Ų186134.7 Ų134.786%0.86178%0.776SS**  cis-138165.718.6-72.3-96.3000113.3
430S35.9Very low35.6Very low107 Ų107130.9 Ų130.975%0.74876%0.763SS**  trans-84.4172.9174.148.30000112.2
431T33.9Very low35.6Very low132 Ų132133.6 Ų133.681%0.8176%0.763SS**  cis-158.8166.945.548.30000114.6
432S33.9Very low35.3Very low125 Ų125133 Ų13387%0.87476%0.758SS**  trans-94.3158.5-175.2-310000115.7
433A33.1Very low35.4Very low101 Ų101135.3 Ų135.384%0.83576%0.758SS**  trans-151.3-175.8165.600000112.4
434E33.2Very low35.7Very low166 Ų166136.9 Ų136.978%0.77677%0.766SS**  trans-156.5161.1-139.6-99.4-79.211.900117.5
435S34.8Very low36Very low80 Ų80136.1 Ų136.156%0.55977%0.767SS**  trans68.1131.5143.7-68.50000125.3
436Q31.8Very low36.5Very low181 Ų181138.7 Ų138.785%0.84676%0.762SS**  trans70.1160.2136.7-71.8172.1-1300121
437S33.7Very low36.8Very low82 Ų82135 Ų13557%0.57375%0.751SS**  cis179.5148.7-31.5-1070000112
438E37.7Very low37.3Very low170 Ų170133.5 Ų133.579%0.79475%0.748SS**  trans54.7159.4158.8-72.780.6-81.200122.6
439E34.1Very low37.9Very low165 Ų165133.5 Ų133.577%0.77175%0.748SS**  cis-171.7179.5-32.8-149.4-127.784.100112.7
440S38.3Very low38.4Very low81 Ų81133.6 Ų133.657%0.56675%0.749SS**  trans81.6129.4155.5-89.90000127.8
441Q35.2Very low39Very low167 Ų167134.1 Ų134.178%0.7874%0.744SS**  trans64.5136.1144.7-55.4-173.3-100.700125
442S37.3Very low39.5Very low106 Ų106131.1 Ų131.174%0.74173%0.728SS**  trans178.3131.3167.460.80000116.1
443E41.2Very low40.1Very low148 Ų148128.5 Ų128.569%0.69271%0.71SS**  trans-151.9159.6-168.7-54.679.2-15200119.5
444E45.5Very low40.4Very low185 Ų185135.7 Ų135.786%0.86472%0.715SS**  trans85.9153.4153.9-41.2-158.4130.200127.3
445D41.2Very low40.8Very low153 Ų153133.4 Ų133.482%0.81872%0.717SS**  trans63.9159.2160.2-75.84.5000126.9
446D45.4Very low41.1Very low135 Ų135138.3 Ų138.372%0.72273%0.729SS**  cis-173.6162.8-36.6-168.330.2000115.9
447S41.9Very low41.6Very low91 Ų91136.9 Ų136.964%0.63672%0.722SS**  trans77.3114.1145.3-86.60000129.9
448D45.5Very low41.7Very low153 Ų153140.2 Ų140.282%0.81873%0.733SS**  89.4173121.6-129.8-13.5000127.8
449S48.3Very low41.8Very low90 Ų90136.9 Ų136.963%0.62973%0.729SS**  trans-137176.8-136.7-38.80000119.6
450Q44.7Very low42.1Very low188 Ų188136.3 Ų136.388%0.87973%0.731SS**  trans-149.9170176.9-68.5-66.4-86.900115.2
451D48.3Very low41.9Very low118 Ų118137.8 Ų137.863%0.63174%0.741SS**  trans-159.7165.4-177.2-178.447.8000117.7
452S44.7Very low42.1Very low68 Ų68136.5 Ų136.548%0.47675%0.745SS.*  trans76.6158153.5-89.90000123
453S47.2Very low42.1Very low71 Ų71140.3 Ų140.350%0.49775%0.751SS.*  cis-180160.3-21.5-97.90000113.4
454R37.9Very low41.9Very low251 Ų251139.3 Ų139.395%0.94776%0.761SS**  trans105.7156.5153.8-62.8-157.6166.6104.74121.8
455S41.9Very low41.3Very low118 Ų118139.5 Ų139.583%0.82576%0.762SS**  trans-132.9172.9-162.157.60000114.6
456K41.5Very low40.8Very low184 Ų184136.8 Ų136.880%0.876%0.755SS**  trans-150.7151.8160.5-120.2-62.5-170.6167.80112.2
457E41.8Very low40.2Very low150 Ų150135.2 Ų135.270%0.70175%0.754SS**  trans-129.1143.5-173.8170.8-160126.500108.9
458D36.2Very low40Very low152 Ų152135 Ų13581%0.81375%0.753SS**  trans-156.1145.2154.8-89.9-55.6000109.1
459S38.9Very low39.5Very low101 Ų101137.6 Ų137.671%0.70676%0.76SS**  trans-122.2150.4-167-64.90000114
460N40.8Very low39.2Very low153 Ų153141.3 Ų141.382%0.81877%0.768SS**  trans-144.888164.166-40.6000113.6
461S33.6Very low39.2Very low111 Ų111140.6 Ų140.678%0.77677%0.77SS**  trans-68.7136.6170.5-49.40000111.9
462T40.9Very low38.8Very low141 Ų141138.1 Ų138.187%0.86577%0.772SS**  trans-128.1115.7156.650.80000109.1
463E35.8Very low38.6Very low185 Ų185143.2 Ų143.286%0.86479%0.788SS**  trans-76.6142-165.3-55.6164139.600111.7
464S37.9Very low38.3Very low128 Ų128145.5 Ų145.590%0.89579%0.794SS**  trans-158.7136.7157.9-76.80000111.3
465E33.6Very low38.5Very low188 Ų188141 Ų14188%0.87978%0.781SS**  trans-82.6161178.4-65166.2121.100110.6
466S30.7Very low38.8Very low96 Ų96143.8 Ų143.867%0.67179%0.787SS**  cis-168.7161-9.7-103.50000110.4
467S33Very low39Very low102 Ų102141.4 Ų141.471%0.71378%0.782SS**  trans53.2139.314862.10000123.4
468S37Very low39.3Very low86 Ų86144 Ų14460%0.60179%0.794SS**  trans58.9108145.3610000119.8
469E34.5Very low40.2Very low208 Ų208142.8 Ų142.897%0.97279%0.786SS**  trans-119.4120.8136.8-76.7-176103.400108.3
470E41.7Very low40.5Very low169 Ų169143.7 Ų143.779%0.7978%0.779SS**  trans-118.2171177.959-162.977.300109.5G472E470-G472 PolarHBondContact O-N 2.83Å
471D45.7Very low41Very low173 Ų173142.7 Ų142.793%0.92578%0.784SS**  trans-52.3129.8-170.7-175.524.6000113.5
472G38.5Very low42Very low65 Ų65146.5 Ų146.567%0.6778%0.781SS**  trans-162.463.3-154.600000115.1E470E470-G472 PolarHBondContact O-N 2.83Å
473Q42.4Very low42.9Very low176 Ų176148.8 Ų148.882%0.82278%0.779SS**  trans-50.1142.1170.1-172.3-176.17300112.8
474L40.3Very low43.7Very low118 Ų118147.8 Ų147.862%0.61878%0.779SS**  trans164.1137.9131.6-87.4179.3000115.3
475K41.6Very low44.5Very low157 Ų157147.6 Ų147.668%0.68377%0.773SS**  trans49.1111.1145.4-65.9155.9-176.4146.90119.7
476N48.8Very low45.6Very low177 Ų177144.8 Ų144.895%0.94777%0.768SS**  -124.1151.6126.2-92.8-61.3000109.3
477I45.3Very low46.7Very low134 Ų134146 Ų14669%0.68777%0.767SS**  trans-134.6113-169.9-139.9166.4000108.1I479I477-I479 HydrophobicContact CD1-CD1 4.06Å; I477-I479 HydrophobicContact CG1-CD1 3.97Å; I477-I479 HydrophobicContact CG1-CG1 4.17Å; I477-I479 HydrophobicContact CG2-CD1 3.92Å; I477-I479 HydrophobicContact CG2-CG1 4.19Å
478E48.7Very low47.8Very low205 Ų205145.9 Ų145.996%0.95877%0.772SS**  trans-99101.4177.6-168.6161.3-167.800109
479I53.6Low48.5Very low125 Ų125150.3 Ų150.364%0.64178%0.777SS**  trans-122.4144.6-178-55.8175.9000107.5I477I477-I479 HydrophobicContact CD1-CD1 4.06Å; I477-I479 HydrophobicContact CG1-CD1 3.97Å; I477-I479 HydrophobicContact CG1-CG1 4.17Å; I477-I479 HydrophobicContact CG2-CD1 3.92Å; I477-I479 HydrophobicContact CG2-CG1 4.19Å
480E45.8Very low49.5Very low121 Ų121147.2 Ų147.257%0.56576%0.762SS**  trans78.789.9178.4-50.3-154.3130.500117.9R482E480-R482 HydrophobicContact CB-CG 4.23Å; E480-R482 HydrophobicContact CG-CG 4.38Å; E480-R482 VanDerWaalsContact OE1-CD 3.27Å; E480-R482 WeakPolarHBondContact OE1-CD 3.25Å; E480-R482 IonicContact OE1-CZ 3.95Å; E480-R482 IonicContact OE1-NE 3.64Å; E480-R482 PolarHBondContact OE1-NE 2.84Å; E480-R482 IonicContact OE1-NH2 3.87Å; E480-R482 IonicContact OE2-CZ 2.75Å; E480-R482 VanDerWaalsContact OE2-CZ 3.23Å; E480-R482 IonicContact OE2-NE 3.23Å; E480-R482 PolarHBondContact OE2-NE 2.8Å; E480-R482 IonicContact OE2-NH2 2.74Å; E480-R482 PolarHBondContact OE2-NH2 2.73Å
481S50.8Low49.9Very low132 Ų132146.8 Ų146.892%0.92377%0.765SS**  trans-124.4106.2130.2-84.40000108.9
482R55Low50.6Low190 Ų190147.5 Ų147.572%0.71776%0.76SS**  trans-93.5111.5-158.7-70175.2-103.9126.9-8.7113.5E480E480-R482 HydrophobicContact CB-CG 4.23Å; E480-R482 HydrophobicContact CG-CG 4.38Å; E480-R482 VanDerWaalsContact OE1-CD 3.27Å; E480-R482 WeakPolarHBondContact OE1-CD 3.25Å; E480-R482 IonicContact OE1-CZ 3.95Å; E480-R482 IonicContact OE1-NE 3.64Å; E480-R482 PolarHBondContact OE1-NE 2.84Å; E480-R482 IonicContact OE1-NH2 3.87Å; E480-R482 IonicContact OE2-CZ 2.75Å; E480-R482 VanDerWaalsContact OE2-CZ 3.23Å; E480-R482 IonicContact OE2-NE 3.23Å; E480-R482 PolarHBondContact OE2-NE 2.8Å; E480-R482 IonicContact OE2-NH2 2.74Å; E480-R482 PolarHBondContact OE2-NH2 2.73Å
483K59.7Low51.5Low190 Ų190150 Ų15083%0.82677%0.765SS**  trans-160.976.9161.9-166.7-173.8179.3-165.50109.8
484L52.7Low52.1Low163 Ų163149.7 Ų149.785%0.85377%0.767SS**  55.278.164.1-162.684.8000113.8
485T56.1Low52.6Low125 Ų125146.7 Ų146.777%0.76777%0.765SS**  trans-140.597.914826.10000110.2
486V56.8Low53.1Low128 Ų128146.6 Ų146.678%0.77677%0.772SS**  trans47.690137-172.90000117.4
487D52.8Low53.4Low122 Ų122145.3 Ų145.365%0.65276%0.76SS**  8.4118.8123.7-172.722.2000117.6Y489D487-Y489 WeakPolarHBondContact OD1-CD2 3.5Å
488A55.9Low54.1Low100 Ų100145 Ų14583%0.82676%0.76SS**  trans-126.193.1166.500000108.9
489Y51.7Low54.8Low178 Ų178140.5 Ų140.570%0.69874%0.742SS**  trans-56.3141.2-177.6-118.5-118.3000113.4D487D487-Y489 WeakPolarHBondContact OD1-CD2 3.5Å
490H54.6Low55.1Low143 Ų143139.8 Ų139.866%0.66274%0.74SS**  trans12.2123.2139.3-51.278.5000118
491N51.8Low56Low160 Ų160141.2 Ų141.286%0.85675%0.751SS**  -167.1127.3123.8-97.8-17.4000111.8
492K59.3Low56.5Low189 Ų189139.5 Ų139.582%0.82274%0.738SS**  trans-92130.7147.7-69.6-171.2176.9-168.10107.1
493P58.5Low56.6Low118 Ų118139.5 Ų139.577%0.76675%0.746SS**  trans-68140.9148.130.6-29.7000109.2
494I54Low56.6Low168 Ų168137.2 Ų137.286%0.86274%0.743SS**  trans-116.1141161.5-69.7171.1000104.9
495G51.6Low56.6Low56 Ų56132.7 Ų132.758%0.57774%0.736SS**  trans89.2139.5-160.300000109.6
496D52.3Low56Low154 Ų154141.6 Ų141.682%0.82476%0.758SS**  cis-79.5141.921.2-3.661.1000115.7
497Q54.4Low55.9Low151 Ų151142.3 Ų142.371%0.70676%0.757SS**  trans-82.7125.5134.9-76.3167.4-127.300105D499Q497-D499 WeakPolarHBondContact CB-OD1 3.42Å; Q497-D499 PolarHBondContact NE2-OD1 3.03Å; Q497-D499 PolarHBondContact NE2-OD2 3.35Å; Q497-D499 PolarHBondContact O-N 3.16Å
498D60.7Low56.1Low128 Ų128143.4 Ų143.468%0.68476%0.763SS**  trans-91.582.6166.9-152.928.8000107.6N500D498-N500 PolarHBondContact O-N 3.44Å; D498-N500 PolarHBondContact OD2-ND2 2.69Å
499D63.3Low56.1Low110 Ų110145.8 Ų145.859%0.58876%0.759SS**  trans-70.666.5-177.9-65.5-40.8000110.2Q497 D501Q497-D499 WeakPolarHBondContact CB-OD1 3.42Å; Q497-D499 PolarHBondContact NE2-OD1 3.03Å; Q497-D499 PolarHBondContact NE2-OD2 3.35Å; Q497-D499 PolarHBondContact O-N 3.16Å; D499-D501 PolarHBondContact O-N 3.35Å
500N59.3Low56.4Low110 Ų110143.9 Ų143.959%0.58876%0.763SS**  trans-75.167.2178.5-75.3-58.3000111.6D498 C502D498-N500 PolarHBondContact O-N 3.44Å; D498-N500 PolarHBondContact OD2-ND2 2.69Å; N500-C502 PolarHBondContact O-N 2.78Å
501D64.1Low56.5Low151 Ų151143.9 Ų143.981%0.80777%0.769SS**  trans-66.959.9162.4-81-35.2000110.7D499 Q503D499-D501 PolarHBondContact O-N 3.35Å; D501-Q503 WeakPolarHBondContact O-CA 3.43Å; D501-Q503 WeakPolarHBondContact O-CB 3.35Å; D501-Q503 PolarHBondContact O-N 3.41Å
502C61.3Low56.8Low96 Ų96142.9 Ų142.965%0.64976%0.763SS**  trans-84.891.7168.5-75.40000108.2N500 D504N500-C502 PolarHBondContact O-N 2.78Å; C502-D504 VanDerWaalsContact C-N 3.25Å
503Q58.5Low56.6Low189 Ų189139.6 Ų139.688%0.88376%0.759SS**  cis94.2-22.730.1-65.5-172.546.900110.9D501D501-Q503 WeakPolarHBondContact O-CA 3.43Å; D501-Q503 WeakPolarHBondContact O-CB 3.35Å; D501-Q503 PolarHBondContact O-N 3.41Å
504D59.6Low56.5Low143 Ų143141.2 Ų141.277%0.76576%0.758SS**  trans-127.983.2-161.4-66.875.5000109.9C502C502-D504 VanDerWaalsContact C-N 3.25Å
505G51.6Low56.7Low68 Ų68139 Ų13970%0.70175%0.75SS**  trans-96.9172.5-172.400000115.8
506Y43.7Very low57.2Low312 Ų312146.5 Ų146.5100%1.22477%0.765SS**  trans-138.40160-97.1-75000110.4

Retrieved 506 of 506 residues in 155.6 ms (Link to these results)