A0A5K4F175_SCHMA Loading...

PSP1 C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F175, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 481 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
1M37.8Very low41.2Very low248 Ų248181.8 Ų181.8100%1.22289%0.886SS**  0115.60-65.2177.896.900106.4
2V40Very low40.8Very low150 Ų150179.8 Ų179.891%0.90988%0.881SS**  trans-95.9112.5-173.4178.10000108
3E41.2Very low40.2Very low176 Ų176174 Ų17482%0.82287%0.87SS**PPolyproline II helixtrans-85.4133.5175.9-160.6-179.6-162.100109.5
4P42Very low39.9Very low107 Ų107175.6 Ų175.670%0.69587%0.869SS**PPolyproline II helixtrans-74.9143.4-176.727.5-31.8000112.4
5P45.3Very low39.5Very low124 Ų124170.3 Ų170.381%0.80586%0.864SS**PPolyproline II helixtrans-74.5132.6-171.227.3-33.3000113.5R7P5-R7 PolarHBondContact O-N 3.39Å
6L42.6Very low38.8Very low166 Ų166163.6 Ų163.687%0.86985%0.85SS**  trans-57.4115.5171.8-83.197.6000111.5R8L6-R8 PolarHBondContact O-N 3.33Å; L6-R8 VanDerWaalsContact O-N 3.08Å
7R44.1Very low38.5Very low249 Ų249166.7 Ų166.794%0.9485%0.85SS**  trans-65.8102.9168.5-95.3-175.8161118.3-4.9110.1P5 K9P5-R7 PolarHBondContact O-N 3.39Å; R7-K9 PolarHBondContact O-N 3.34Å
8R40.9Very low38.2Very low234 Ų234163.2 Ų163.288%0.88384%0.843SS**  trans-65.7126167-79.3177.8152172.4-6.7110.3L6 R10L6-R8 PolarHBondContact O-N 3.33Å; L6-R8 VanDerWaalsContact O-N 3.08Å; R8-R10 PolarHBondContact O-N 3.06Å
9K44.7Very low37.7Very low212 Ų212164.3 Ų164.392%0.92284%0.844SS**  trans-60.8115.4172.4-64.9-178.7178.9-179.70108.8R7 A11R7-K9 PolarHBondContact O-N 3.34Å; K9-A11 PolarHBondContact O-N 3.37Å
10R37Very low37.5Very low240 Ų240163.7 Ų163.791%0.90684%0.842SS**  trans-72.9117.8173.8-69.8-178.6176.8174.2-2.1108.2R8 L12R8-R10 PolarHBondContact O-N 3.06Å; R10-L12 PolarHBondContact O-N 2.91Å
11A37.3Very low37.3Very low94 Ų94161 Ų16178%0.77784%0.835SS**  trans-64126.8166.300000108.3K9 S13K9-A11 PolarHBondContact O-N 3.37Å; A11-S13 PolarHBondContact O-N 3Å
12L37.1Very low36.9Very low158 Ų158159.1 Ų159.183%0.82782%0.82SS**  trans-65.1104.4170.6-9398.5000108.4R10R10-L12 PolarHBondContact O-N 2.91Å
13S33.2Very low36.6Very low104 Ų104159.8 Ų159.873%0.72782%0.818SS**  trans-74117.416351.20000108.8A11 A15A11-S13 PolarHBondContact O-N 3Å; S13-A15 VanDerWaalsContact C-N 3.29Å; S13-A15 PolarHBondContact O-N 2.76Å
14F35.7Very low36.4Very low197 Ų197157.1 Ų157.186%0.86482%0.818SS**  trans-70.582.7170.1-69.5-91.4000109.6
15A33.4Very low35.9Very low95 Ų95154.9 Ų154.979%0.78582%0.815SS**  trans-99.2103.1168.900000107.9S13S13-A15 VanDerWaalsContact C-N 3.29Å; S13-A15 PolarHBondContact O-N 2.76Å
16G28.6Very low35.3Very low63 Ų63157.1 Ų157.165%0.64982%0.82SS**  trans174.6-1817700000117.1S18G16-S18 PolarHBondContact O-N 3.16Å
17Y33.3Very low34.8Very low217 Ų217155.1 Ų155.185%0.85181%0.814SS**  trans-102.768.1172.1-66.6-76.6000110.5
18S32.9Very low34.2Very low104 Ų104151.9 Ų151.973%0.72781%0.809SS**  trans-72.5125.8155.947.80000107.7G16G16-S18 PolarHBondContact O-N 3.16Å
19E29.2Very low33.9Very low184 Ų184150.4 Ų150.486%0.8681%0.81SS**  trans8867.5168.8-51.1-176.2-179.700116.7
20L33.3Very low33.3Very low152 Ų152143.2 Ų143.280%0.79680%0.796SS**  trans-83.9134.9141.9-72.5172.8000108.7K22L20-K22 PolarHBondContact O-N 3.12Å
21P33.9Very low33Very low107 Ų107140.3 Ų140.370%0.69579%0.793SS**  trans-63.9134.7-172.523.2-31.6000111.4L23P21-L23 PolarHBondContact O-N 2.88Å
22K29.1Very low32.6Very low209 Ų209142.9 Ų142.991%0.90979%0.792SS**  trans-58.793.6175.5-68.9173.6-179.7173.80109.8L20 S24L20-K22 PolarHBondContact O-N 3.12Å; K22-S24 PolarHBondContact O-N 3.38Å; K22-S24 VanDerWaalsContact O-N 3.11Å
23L34.6Very low32.2Very low164 Ų164141.4 Ų141.486%0.85979%0.792SS**  trans-74.399.8164-69.9172.7000107.6P21 G25P21-L23 PolarHBondContact O-N 2.88Å; L23-G25 PolarHBondContact O-N 2.79Å
24S35.7Very low32.1Very low120 Ų120142.5 Ų142.584%0.83980%0.795SS**  trans-58.2125.4167.253.10000110.1K22K22-S24 PolarHBondContact O-N 3.38Å; K22-S24 VanDerWaalsContact O-N 3.11Å
25G31.3Very low31.9Very low60 Ų60137.2 Ų137.262%0.61979%0.788SS**SBendtrans114.9103.7165.800000113.6L23 V27L23-G25 PolarHBondContact O-N 2.79Å; G25-V27 VanDerWaalsContact C-N 3.28Å; G25-V27 PolarHBondContact O-N 3.5Å
26N34.1Very low31.7Very low171 Ų171142.6 Ų142.691%0.91479%0.794SS**  trans-13.161.7157.3-64.7-7.5000118.7H28N26-H28 PolarHBondContact O-N 3.01Å
27V32.1Very low31.8Very low124 Ų124149.8 Ų149.875%0.75280%0.801SS**  trans-86.3101.9159.7-174.30000106.8G25 F29G25-V27 VanDerWaalsContact C-N 3.28Å; G25-V27 PolarHBondContact O-N 3.5Å; V27-F29 PolarHBondContact O-N 3.46Å; V27-F29 VanDerWaalsContact O-N 3.12Å
28H31.5Very low31.7Very low181 Ų181146.4 Ų146.484%0.83880%0.796SS**  trans-48.9119.6165.7-99.2-82.1000108.4N26 G30N26-H28 PolarHBondContact O-N 3.01Å; H28-G30 PolarHBondContact O-N 3.44Å
29F34.3Very low31.4Very low203 Ų203152 Ų15289%0.8980%0.801SS**  trans-6865.9164.1-83.1-90.7000108.9V27 Q31V27-F29 PolarHBondContact O-N 3.46Å; V27-F29 VanDerWaalsContact O-N 3.12Å; F29-Q31 PolarHBondContact O-N 2.97Å
30G31.2Very low31.3Very low61 Ų61150.7 Ų150.763%0.62980%0.795SS**  trans-71.1103.2160.300000106.9H28H28-G30 PolarHBondContact O-N 3.44Å
31Q30.6Very low31.1Very low179 Ų179148.8 Ų148.884%0.83679%0.792SS**  trans48.6106.5163-78.7160.9-30.100116.1F29F29-Q31 PolarHBondContact O-N 2.97Å
32L28.9Very low30.7Very low147 Ų147148.2 Ų148.277%0.7779%0.791SS**  trans-40.5135.6152.2-70.3162.1000109.1T34L32-T34 VanDerWaalsContact C-N 3.31Å; L32-T34 PolarHBondContact O-N 3.43Å
33P29Very low30.7Very low128 Ų128147.1 Ų147.183%0.83179%0.786SS**  trans-63.897176.723.5-29000108.5A35P33-A35 PolarHBondContact O-N 2.98Å
34T31.6Very low30.3Very low126 Ų126145.3 Ų145.377%0.77378%0.781SS**  trans-53.3126.1169-45.90000107.2L32 F36L32-T34 VanDerWaalsContact C-N 3.31Å; L32-T34 PolarHBondContact O-N 3.43Å; T34-F36 PolarHBondContact O-N 3.45Å
35A32.4Very low29.8Very low87 Ų87148.7 Ų148.772%0.71978%0.777SS**SBendtrans-32.4122.1179.400000111.1P33 R37P33-A35 PolarHBondContact O-N 2.98Å; A35-R37 PolarHBondContact O-N 3.48Å
36F29Very low29.8Very low208 Ų208150.5 Ų150.591%0.91278%0.778SS**  trans-26.9101.6179.2-75.4-92.3000111.4T34 I38T34-F36 PolarHBondContact O-N 3.45Å; F36-I38 PolarHBondContact O-N 3.31Å
37R29.1Very low29.7Very low213 Ų213150.4 Ų150.480%0.80478%0.777SS**  trans-52.2109.6159-90.6-180170.8-177.9-5.5104.7A35 R39A35-R37 PolarHBondContact O-N 3.48Å; R37-R39 PolarHBondContact O-N 3.11Å
38I31.9Very low29.7Very low146 Ų146147.4 Ų147.475%0.74977%0.772SS**  trans-61.195.2164.5-60.4171.5000104F36 H40F36-I38 PolarHBondContact O-N 3.31Å; I38-H40 VanDerWaalsContact C-N 3.29Å; I38-H40 PolarHBondContact O-N 2.86Å
39R25.9Very low29.6Very low221 Ų221145.7 Ų145.783%0.83477%0.769SS**  trans-62.9103.8161.8-72.1-173.6-179.5-173.9-0.2103.9R37R37-R39 PolarHBondContact O-N 3.11Å
40H28Very low29.6Very low157 Ų157140 Ų14073%0.72775%0.752SS**  trans-48.1133.5150.6-72.1-83.5000105.8I38 S42I38-H40 VanDerWaalsContact C-N 3.29Å; I38-H40 PolarHBondContact O-N 2.86Å; H40-S42 PolarHBondContact O-N 2.92Å
41P28.2Very low29.9Very low112 Ų112140.2 Ų140.273%0.72775%0.748SS**  trans-57.798.8176.523.4-31.1000107F43P41-F43 VanDerWaalsContact C-N 3.34Å; P41-F43 PolarHBondContact O-N 3.06Å
42S26.3Very low30.2Very low96 Ų96138 Ų13867%0.67174%0.741SS**  trans-60.3108.616249.40000103.3H40 V44H40-S42 PolarHBondContact O-N 2.92Å; S42-V44 VanDerWaalsContact C-N 3.34Å; S42-V44 PolarHBondContact O-N 3.28Å
43F29.2Very low30.8Very low185 Ų185137.5 Ų137.581%0.81174%0.739SS**  trans-45.2104.7170.2-85.6-102.9000107.1P41 Y45P41-F43 VanDerWaalsContact C-N 3.34Å; P41-F43 PolarHBondContact O-N 3.06Å; F43-Y45 PolarHBondContact O-N 3.41Å
44V27Very low31.4Very low126 Ų126138.6 Ų138.676%0.76473%0.733SS**  trans-65.6100.6156.91750000102.3S42 P46S42-V44 VanDerWaalsContact C-N 3.34Å; S42-V44 PolarHBondContact O-N 3.28Å; V44-P46 WeakPolarHBondContact O-CD 3.44Å
45Y23.3Very low32Very low191 Ų191137.1 Ų137.175%0.74972%0.724SS**  trans-46108.6165.9-99.6-96.8000107.3F43F43-Y45 PolarHBondContact O-N 3.41Å
46P32Very low32.5Very low98 Ų98138 Ų13864%0.63672%0.716SS**  trans-79.9131.9148.616.34.6000105.6V44 G48V44-P46 WeakPolarHBondContact O-CD 3.44Å; P46-G48 PolarHBondContact O-N 3.38Å
47D32.8Very low32.8Very low169 Ų169129.7 Ų129.790%0.90469%0.689SS**SBendtrans-44118.6168.5-66.3-53000110.4
48G31.8Very low33Very low61 Ų61121.7 Ų121.763%0.62967%0.673SS**SBendtrans108.397.2176.300000114P46 P50P46-G48 PolarHBondContact O-N 3.38Å; G48-P50 WeakPolarHBondContact O-CD 3.31Å
49D30Very low33.2Very low146 Ų146122 Ų12278%0.78167%0.669SS**  trans-49.9119.4166.9-64.2-49.4000111.4A51D49-A51 PolarHBondContact O-N 2.92Å
50P33.2Very low33.7Very low82 Ų82115.1 Ų115.153%0.53265%0.654SS.*  trans-75.3108.5154.729.5-25.5000106.4G48 L52G48-P50 WeakPolarHBondContact O-CD 3.31Å; P50-L52 PolarHBondContact O-N 3.44Å
51A36.7Very low33.9Very low66 Ų66115.1 Ų115.155%0.54566%0.655SS.*  trans-44.4139.7173.300000110.6D49 D53 Q54D49-A51 PolarHBondContact O-N 2.92Å; A51-D53 PolarHBondContact O-N 3.11Å; A51-Q54 PolarHBondContact O-N 3.47Å
52L38.9Very low34.3Very low133 Ų133118.5 Ų118.570%0.69666%0.658SS**THydrogen-bonded Turntrans-45.2-24-172.9-135.8109.8000114.7P50 Q54 V55 L56P50-L52 PolarHBondContact O-N 3.44Å; L52-Q54 VanDerWaalsContact C-N 3.34Å; L52-Q54 PolarHBondContact O-N 3.13Å; L52-V55 PolarHBondContact O-N 3.36Å; L52-L56 HydrophobicContact CD2-CD1 4.18Å; L52-L56 PolarHBondContact O-N 2.83Å; L52-L56 VanDerWaalsContact O-N 3.12Å
53D40.5Very low34.8Very low136 Ų136120.7 Ų120.773%0.72766%0.661SS**Hα-helixtrans-62.6-29.2175.2-74.5-14.6000114.4A51 G57A51-D53 PolarHBondContact O-N 3.11Å; D53-G57 VanDerWaalsContact O-CA 3.31Å; D53-G57 WeakPolarHBondContact O-CA 3.17Å; D53-G57 PolarHBondContact O-N 3.44Å
54Q41.4Very low35Very low151 Ų151118.1 Ų118.171%0.70666%0.656SS**Hα-helixtrans-74.7-32.4175.9-73.9-173.917.700112.4A51 L52A51-Q54 PolarHBondContact O-N 3.47Å; L52-Q54 VanDerWaalsContact C-N 3.34Å; L52-Q54 PolarHBondContact O-N 3.13Å
55V45Very low35Very low95 Ų95119.4 Ų119.458%0.57666%0.659SS**Hα-helixtrans-77.4-38.3179.1-1770000110.8L52L52-V55 PolarHBondContact O-N 3.36Å
56L43.2Very low35.3Very low106 Ų106119.8 Ų119.856%0.55566%0.664SS**Hα-helixtrans-82.8-28175.8-97.178.8000113.7L52 G58 F59 S60L52-L56 HydrophobicContact CD2-CD1 4.18Å; L52-L56 PolarHBondContact O-N 2.83Å; L52-L56 VanDerWaalsContact O-N 3.12Å; L56-G58 PolarHBondContact O-N 2.96Å; L56-F59 PolarHBondContact O-N 2.86Å; L56-S60 PolarHBondContact O-N 3.22Å
57G33.7Very low35.1Very low33 Ų33123.4 Ų123.434%0.3467%0.673SS.*Hα-helixtrans-59.3-32.5178.800000113.4D53 F59 S60 Q61D53-G57 VanDerWaalsContact O-CA 3.31Å; D53-G57 WeakPolarHBondContact O-CA 3.17Å; D53-G57 PolarHBondContact O-N 3.44Å; G57-F59 VanDerWaalsContact C-N 3.31Å; G57-F59 PolarHBondContact O-N 2.88Å; G57-S60 PolarHBondContact O-N 3Å; G57-Q61 PolarHBondContact O-N 3.28Å
58G34.4Very low34.8Very low45 Ų45123.5 Ų123.546%0.46467%0.673SS.*Hα-helixtrans-67.8-24.9175.800000114.6L56L56-G58 PolarHBondContact O-N 2.96Å
59F35.6Very low34.5Very low154 Ų154124.1 Ų124.168%0.67568%0.68SS**Hα-helixtrans-86.1-33177.6-75.9-82.8000112.5L56 G57L56-F59 PolarHBondContact O-N 2.86Å; G57-F59 VanDerWaalsContact C-N 3.31Å; G57-F59 PolarHBondContact O-N 2.88Å
60S36.4Very low34.3Very low75 Ų75123 Ų12352%0.52468%0.678SS.*Hα-helixtrans-73.3-35.5176.8-76.50000113.3L56 G57 K62 L63 N64L56-S60 PolarHBondContact O-N 3.22Å; G57-S60 PolarHBondContact O-N 3Å; S60-K62 VanDerWaalsContact C-N 3.29Å; S60-K62 PolarHBondContact O-N 3.49Å; S60-L63 PolarHBondContact O-N 2.95Å; S60-N64 PolarHBondContact O-N 3Å
61Q32Very low34Very low157 Ų157127.1 Ų127.173%0.73470%0.695SS**Hα-helixtrans-69-26.6176.3-87-177.4-1.600113.4G57 L63G57-Q61 PolarHBondContact O-N 3.28Å; Q61-L63 VanDerWaalsContact C-N 3.29Å; Q61-L63 PolarHBondContact O-N 2.76Å
62K36.3Very low33.4Very low183 Ų183130.2 Ų130.280%0.79671%0.707SS**Hα-helixtrans-75.2-18.3177.5-128.4172.9-177.2178.60113.4S60S60-K62 VanDerWaalsContact C-N 3.29Å; S60-K62 PolarHBondContact O-N 3.49Å
63L37.8Very low32.9Very low142 Ų142129.3 Ų129.374%0.74371%0.712SS**Hα-helixtrans-98.7-22.4176.4-66.9176.4000113.4S60 Q61S60-L63 PolarHBondContact O-N 2.95Å; Q61-L63 VanDerWaalsContact C-N 3.29Å; Q61-L63 PolarHBondContact O-N 2.76Å
64N32.5Very low32.2Very low131 Ų131131 Ų13170%0.70172%0.716SS**Hα-helixtrans-89.8-3.4179.1-79.6-10.8000115.2S60 K66S60-N64 PolarHBondContact O-N 3Å; N64-K66 PolarHBondContact O-N 2.81Å
65N27.8Very low31.6Very low154 Ų154131.5 Ų131.582%0.82472%0.723SS**  trans-80.563.2164.3-91.1-10.7000111
66K29.2Very low30.8Very low199 Ų199132.9 Ų132.987%0.86574%0.737SS**  trans-142.753165.6-117-172.3-175.2-176.40110.2N64N64-K66 PolarHBondContact O-N 2.81Å
67Q28.4Very low30.2Very low173 Ų173132.8 Ų132.881%0.80875%0.745SS**  trans-151.5104.3161.5-126.3172.91400108.7
68N26.3Very low30Very low171 Ų171138.8 Ų138.891%0.91477%0.769SS**  trans169.471.8145.1-82.4-4.1000107.6
69G26.1Very low30Very low75 Ų75144 Ų14477%0.77379%0.785SS**  trans-160.674.217600000107.1L71G69-L71 PolarHBondContact O-N 3.23Å
70V24.5Very low29.7Very low122 Ų122145.6 Ų145.674%0.73979%0.792SS**  trans-52.4117.6-178.8174.20000110.7
71L28.2Very low29.3Very low169 Ų169149.4 Ų149.489%0.88581%0.806SS**  trans-140.993.4142.7-78.8179.5000106.9G69 S73G69-L71 PolarHBondContact O-N 3.23Å; L71-S73 PolarHBondContact O-N 3.07Å
72T24.3Very low29.4Very low130 Ų130151.1 Ų151.180%0.79881%0.811SS**  trans-60106.8161.6460000108.3
73S28.5Very low29Very low115 Ų115145 Ų14580%0.80480%0.801SS**  trans-118.7109.8153.8-1690000105.9L71L71-S73 PolarHBondContact O-N 3.07Å
74E25.8Very low28.8Very low172 Ų172145.5 Ų145.580%0.80480%0.803SS**  trans-57.1154.1164.2-60.1-164.5150.400109.8
75D27.4Very low28.7Very low160 Ų160146.7 Ų146.786%0.85681%0.809SS**  trans124.556173.8-65-13.2000112.4
76S29.3Very low28.7Very low125 Ų125142.5 Ų142.587%0.87480%0.802SS**  trans-11669.5165.768.50000110.2
77S30.1Very low28.9Very low104 Ų104138.3 Ų138.373%0.72780%0.797SS**  trans-13652.7167.866.60000110.7
78D29.7Very low29Very low158 Ų158136.2 Ų136.285%0.84579%0.791SS**  trans-169.656.2167.6-102.7-19.6000114.4
79I33.7Very low29.3Very low156 Ų156136.2 Ų136.280%0.879%0.79SS**  trans-139.182.4155.6-52.4176.7000108.5D81I79-D81 PolarHBondContact O-N 3.15Å
80K29.8Very low29.6Very low186 Ų186142.6 Ų142.681%0.80979%0.791SS**  trans-62.5118.9157.9-77.8-175.1174179.70108.6F82K80-F82 PolarHBondContact O-N 2.91Å; K80-F82 VanDerWaalsContact O-N 3.1Å
81D28.4Very low29.9Very low156 Ų156141.5 Ų141.583%0.83479%0.789SS**  trans2081141.6-59.2-37.7000115.9I79 G83I79-D81 PolarHBondContact O-N 3.15Å; D81-G83 PolarHBondContact O-N 2.92Å
82F33.7Very low30.2Very low192 Ų192145.4 Ų145.484%0.84279%0.792SS**  trans-72.579.4151.1-79.8-79.9000107.9K80 I84K80-F82 PolarHBondContact O-N 2.91Å; K80-F82 VanDerWaalsContact O-N 3.1Å; F82-I84 PolarHBondContact O-N 3.33Å; F82-I84 VanDerWaalsContact O-N 3.1Å
83G27Very low30.6Very low55 Ų55148.9 Ų148.957%0.56780%0.796SS**  trans-56.8110.9165.800000109.3D81 N85D81-G83 PolarHBondContact O-N 2.92Å; G83-N85 PolarHBondContact O-N 2.92Å
84I34.8Very low30.9Very low153 Ų153148.4 Ų148.479%0.78579%0.792SS**  trans-75.582.4172.5-54.4175.9000106.7F82 G86F82-I84 PolarHBondContact O-N 3.33Å; F82-I84 VanDerWaalsContact O-N 3.1Å; I84-G86 PolarHBondContact O-N 2.72Å
85N29.7Very low31Very low155 Ų155145.8 Ų145.883%0.82979%0.793SS**  trans-59.1115.6166.1-75.8-39.3000109.3G83G83-N85 PolarHBondContact O-N 2.92Å
86G28.9Very low31.1Very low67 Ų67143.9 Ų143.969%0.69179%0.787SS**  trans55.779.2149.200000117.1I84 D88I84-G86 PolarHBondContact O-N 2.72Å; G86-D88 VanDerWaalsContact C-N 3.29Å; G86-D88 PolarHBondContact O-N 3Å
87C32Very low31.1Very low111 Ų111142.1 Ų142.175%0.7578%0.78SS**  trans-66.697.1150.9-71.90000107.9L89C87-L89 PolarHBondContact O-N 3.29Å
88D31.3Very low31.1Very low129 Ų129142.9 Ų142.969%0.6978%0.78SS**  trans-61.498.8174.3-160.12.7000108.9G86 R90G86-D88 VanDerWaalsContact C-N 3.29Å; G86-D88 PolarHBondContact O-N 3Å; D88-R90 PolarHBondContact O-N 2.87Å; D88-R90 WeakPolarHBondContact OD1-CD 3.35Å; D88-R90 VanDerWaalsContact OD1-CG 3.3Å; D88-R90 WeakPolarHBondContact OD1-CG 3.36Å
89L33Very low31.2Very low170 Ų170141.2 Ų141.289%0.8978%0.776SS**  trans-76.235.5172.3-74.3169.4000111.4C87 S91C87-L89 PolarHBondContact O-N 3.29Å; L89-S91 PolarHBondContact O-N 2.82Å
90R30.6Very low31Very low209 Ų209138.5 Ų138.579%0.78977%0.766SS**  trans-7896.2174.1-90.3-179.2160.5-153.2-4.1110.2D88D88-R90 PolarHBondContact O-N 2.87Å; D88-R90 WeakPolarHBondContact OD1-CD 3.35Å; D88-R90 VanDerWaalsContact OD1-CG 3.3Å; D88-R90 WeakPolarHBondContact OD1-CG 3.36Å
91S32.3Very low30.8Very low99 Ų99136.5 Ų136.569%0.69276%0.764SS**  trans38.787.6148.6-54.70000115.2L89 K93L89-S91 PolarHBondContact O-N 2.82Å; S91-K93 VanDerWaalsContact C-N 3.31Å; S91-K93 PolarHBondContact O-N 2.95Å
92R33.7Very low30.7Very low252 Ų252136.7 Ų136.795%0.95176%0.76SS**  trans-54.1100.9153.3-81.7177.5141.9178.5-6.6107.6S94R92-S94 PolarHBondContact O-N 3.14Å; R92-S94 VanDerWaalsContact O-N 3.08Å
93K32.4Very low30.5Very low202 Ų202133 Ų13388%0.87876%0.755SS**  trans-59.2110.6168.9-66179.2177-1780106.8S91 S95S91-K93 VanDerWaalsContact C-N 3.31Å; S91-K93 PolarHBondContact O-N 2.95Å; K93-S95 PolarHBondContact O-N 3.25Å
94S35.4Very low30.5Very low105 Ų105138.3 Ų138.373%0.73477%0.769SS**  trans-63.3119.616641.30000107.6R92 V96R92-S94 PolarHBondContact O-N 3.14Å; R92-S94 VanDerWaalsContact O-N 3.08Å; S94-V96 PolarHBondContact O-N 2.99Å
95S28.5Very low30.1Very low118 Ų118139 Ų13983%0.82577%0.769SS**  trans-67.5109.8168.7177.70000107.6K93 A97K93-S95 PolarHBondContact O-N 3.25Å; S95-A97 PolarHBondContact O-N 3.03Å
96V28.9Very low30Very low120 Ų120136.4 Ų136.473%0.72776%0.763SS**  trans-77.6109.6169.4176.70000106.7S94 T98S94-V96 PolarHBondContact O-N 2.99Å; V96-T98 PolarHBondContact O-N 2.92Å
97A28.8Very low30Very low88 Ų88139.2 Ų139.273%0.72777%0.77SS**  trans-66.8113.7169.900000108.6S95 V99S95-A97 PolarHBondContact O-N 3.03Å; A97-V99 PolarHBondContact O-N 3.12Å
98T30.3Very low29.8Very low119 Ų119141.4 Ų141.473%0.7377%0.773SS**  trans-72.4115.716846.40000108.3V96 V100V96-T98 PolarHBondContact O-N 2.92Å; T98-V100 PolarHBondContact O-N 2.75Å; T98-V100 VanDerWaalsContact O-N 3.13Å
99V31.2Very low29.6Very low124 Ų124140 Ų14075%0.75277%0.774SS**  trans-63.3109.1166.8179.50000106.9A97A97-V99 PolarHBondContact O-N 3.12Å
100V29.7Very low29.4Very low98 Ų98137 Ų13759%0.59476%0.762SS**  trans-85.4107.8167.7175.80000106T98 H102T98-V100 PolarHBondContact O-N 2.75Å; T98-V100 VanDerWaalsContact O-N 3.13Å; V100-H102 PolarHBondContact O-N 3.41Å
101D25.4Very low29.3Very low145 Ų145132.3 Ų132.378%0.77576%0.759SS**  trans-63.598.7173.5-73.3-33.9000109.1P103D101-P103 WeakPolarHBondContact O-CD 3.47Å
102H27.7Very low29.1Very low160 Ų160134.6 Ų134.674%0.74176%0.759SS**  trans-82.7119.4165.4-79.4-67.2000109V100 L104V100-H102 PolarHBondContact O-N 3.41Å; H102-L104 PolarHBondContact O-N 2.86Å
103P28.4Very low28.9Very low113 Ų113129.8 Ų129.873%0.73475%0.75SS**  trans-68.1126-177.124.7-31000111D101 H105D101-P103 WeakPolarHBondContact O-CD 3.47Å; P103-H105 PolarHBondContact O-N 3.4Å
104L26.7Very low28.7Very low167 Ų167128.3 Ų128.387%0.87474%0.741SS**  trans-62.290.7172.1-68.2166.9000110.5H102H102-L104 PolarHBondContact O-N 2.86Å
105H27.3Very low28.4Very low169 Ų169128.7 Ų128.778%0.78274%0.74SS**  trans-134.7109.9157.8-82.4-62.6000111.6P103P103-H105 PolarHBondContact O-N 3.4Å
106S27.6Very low28.2Very low100 Ų100132.8 Ų132.870%0.69974%0.743SS**  trans63.386141.259.60000118.5
107C29.3Very low28.3Very low125 Ų125133.2 Ų133.285%0.84575%0.746SS**  trans-138.660.4136.9-75.30000108.6S109C107-S109 PolarHBondContact O-N 3.49Å; C107-S109 VanDerWaalsContact O-N 3.09Å
108I27.2Very low28.5Very low157 Ų157134.6 Ų134.681%0.80575%0.747SS**  trans-77.181.1154.9-59.1170.1000104.8T110I108-T110 VanDerWaalsContact C-N 3.35Å; I108-T110 HydrophobicContact CG2-CG2 4.08Å; I108-T110 PolarHBondContact O-N 2.98Å
109S28Very low28.5Very low100 Ų100134.4 Ų134.470%0.69975%0.751SS**  trans-92.382.1163.5-51.50000105.6C107 P111C107-S109 PolarHBondContact O-N 3.49Å; C107-S109 VanDerWaalsContact O-N 3.09Å; S109-P111 VanDerWaalsContact O-CD 3.3Å; S109-P111 WeakPolarHBondContact O-CD 3.32Å
110T27.5Very low28.2Very low107 Ų107133.3 Ų133.366%0.65675%0.749SS**  trans-53.9119161.838.10000107.3I108 E112I108-T110 VanDerWaalsContact C-N 3.35Å; I108-T110 HydrophobicContact CG2-CG2 4.08Å; I108-T110 PolarHBondContact O-N 2.98Å; T110-E112 PolarHBondContact O-N 3.2Å
111P29.9Very low28.2Very low110 Ų110135 Ų13571%0.71476%0.763SS**  trans-63.9111.716925.1-28.7000106.9S109 I113S109-P111 VanDerWaalsContact O-CD 3.3Å; S109-P111 WeakPolarHBondContact O-CD 3.32Å; P111-I113 PolarHBondContact O-N 3.45Å
112E26.5Very low28.2Very low148 Ų148132.2 Ų132.269%0.69276%0.755SS**  trans-58.793.3161.5-76.4-173.7148.900107.3T110 Y114T110-E112 PolarHBondContact O-N 3.2Å; E112-Y114 HydrophobicContact CB-CD2 4.09Å; E112-Y114 HydrophobicContact CB-CE2 3.98Å; E112-Y114 PolarHBondContact O-N 3.08Å; E112-Y114 VanDerWaalsContact OE2-CE2 3.27Å; E112-Y114 WeakPolarHBondContact OE2-CE2 3.44Å
113I31Very low28.1Very low150 Ų150131.9 Ų131.977%0.76976%0.759SS**  trans-74.686.6165.7-58.1172.4000105.5P111P111-I113 PolarHBondContact O-N 3.45Å
114Y27.4Very low28Very low172 Ų172131.7 Ų131.768%0.67576%0.76SS**  trans-58.3131160.6-81.5-89.2000107.9E112 K116E112-Y114 HydrophobicContact CB-CD2 4.09Å; E112-Y114 HydrophobicContact CB-CE2 3.98Å; E112-Y114 PolarHBondContact O-N 3.08Å; E112-Y114 VanDerWaalsContact OE2-CE2 3.27Å; E112-Y114 WeakPolarHBondContact OE2-CE2 3.44Å; Y114-K116 PolarHBondContact O-N 3.24Å
115P29Very low28.2Very low112 Ų112129.9 Ų129.973%0.72776%0.756SS**  trans-6999.4178.527.8-31.5000108.3V117P115-V117 PolarHBondContact O-N 3.39Å
116K25.6Very low28.1Very low205 Ų205127.7 Ų127.789%0.89175%0.754SS**  trans-69.6102.9164.9-124.7174.5-176.5175.50106.8Y114Y114-K116 PolarHBondContact O-N 3.24Å
117V30.8Very low28.1Very low128 Ų128132.4 Ų132.478%0.77676%0.762SS**PPolyproline II helixtrans-52.8128.5169.3179.60000108P115 S119P115-V117 PolarHBondContact O-N 3.39Å; V117-S119 PolarHBondContact O-N 2.75Å
118P32.8Very low28.1Very low118 Ų118135.1 Ų135.177%0.76677%0.767SS**PPolyproline II helixtrans-67.2125.5-170.723-30.9000110.9S120P118-S120 PolarHBondContact O-N 3.45Å
119S29.8Very low28Very low114 Ų114132.2 Ų132.280%0.79777%0.767SS**PPolyproline II helixtrans-62.9126.9168.351.70000109.4V117 C121V117-S119 PolarHBondContact O-N 2.75Å; S119-C121 PolarHBondContact O-N 3.07Å
120S25.2Very low27.8Very low101 Ų101135.9 Ų135.971%0.70677%0.773SS**  trans-45.2119.7175.957.60000113.5P118P118-S120 PolarHBondContact O-N 3.45Å
121C28.7Very low27.8Very low134 Ų134136.7 Ų136.791%0.90578%0.78SS**  trans-110.899.2137.6-71.70000105.6S119S119-C121 PolarHBondContact O-N 3.07Å
122S25.6Very low27.8Very low87 Ų87138.7 Ų138.761%0.60878%0.784SS**  trans-65.7151.9168.2-54.40000110.1
123D25.8Very low27.8Very low153 Ų153138.3 Ų138.382%0.81879%0.787SS**  trans75.8112158.4-47.7-33.4000115.4
124S26.8Very low27.5Very low108 Ų108137.7 Ų137.776%0.75578%0.784SS**  cis-175.716044.347.30000112.2
125V29.4Very low27.5Very low129 Ų129134.3 Ų134.378%0.78279%0.786SS**  trans86.974.3161-154.80000117.5
126T25.5Very low27.6Very low123 Ų123133.9 Ų133.976%0.75579%0.786SS**  trans-36.1128.613539.30000114
127K27.6Very low27.6Very low200 Ų200133 Ų13387%0.8778%0.782SS**  trans147.879.9136.9-82.2177.6178.8179.80112
128L30Very low27.5Very low181 Ų181134.2 Ų134.295%0.94878%0.784SS**SBendtrans-131.7130.6133.8-114.9121.5000107.2
129A26.3Very low27.5Very low97 Ų97136 Ų13680%0.80278%0.777SS**  trans-69.1153.5-156.300000114.2
130Q22.3Very low27.6Very low176 Ų176135.5 Ų135.582%0.82277%0.773SS**  trans-46.3153.4171.3-68.4169.8-23.200114
131P28Very low27.8Very low125 Ų125137.8 Ų137.881%0.81278%0.778SS**  -114.8121.8116.529.1-23000111.5
132L29.1Very low28.1Very low152 Ų152139.8 Ų139.880%0.79677%0.768SS**  trans11.4101.1143-66156000117.8
133N26.3Very low28.7Very low139 Ų139142.6 Ų142.674%0.74377%0.774SS**  42.6131.2108.2-132.7-4.3000120.3
134L26.5Very low29.3Very low137 Ų137141.3 Ų141.372%0.71777%0.767SS**  trans95.298.2154.3-71.4128.4000120.4
135S25.8Very low30.3Very low102 Ų102141 Ų14171%0.71376%0.762SS**  67.897.1121710000119.1
136S32Very low31.3Very low102 Ų102141 Ų14171%0.71376%0.758SS**  171.3100.9105.456.40000107.5N138S136-N138 VanDerWaalsContact C-N 3.31Å; S136-N138 PolarHBondContact O-N 3.28Å
137F26.5Very low32.7Very low188 Ų188138.3 Ų138.383%0.82574%0.743SS**  trans-62.791.1168-87.4-97.4000109Y139F137-Y139 HydrophobicContact CB-CD2 4.35Å; F137-Y139 HydrophobicContact CD1-CD2 4.42Å; F137-Y139 HydrophobicContact CD1-CE2 4.01Å; F137-Y139 PolarHBondContact O-N 2.85Å
138N28Very low34.2Very low153 Ų153133.7 Ų133.782%0.81873%0.734SS**  trans-8792.8159.7-96.9-20.6000107.9S136 S140S136-N138 VanDerWaalsContact C-N 3.31Å; S136-N138 PolarHBondContact O-N 3.28Å; N138-S140 PolarHBondContact O-N 3.29Å
139Y32.1Very low35.8Very low154 Ų154131.1 Ų131.160%0.60472%0.72SS**  trans-57.394.4160-90.8-103.6000109F137 Y142F137-Y139 HydrophobicContact CB-CD2 4.35Å; F137-Y139 HydrophobicContact CD1-CD2 4.42Å; F137-Y139 HydrophobicContact CD1-CE2 4.01Å; F137-Y139 PolarHBondContact O-N 2.85Å; Y139-Y142 AromaticContact CD1-CE2 3.62Å; Y139-Y142 HydrophobicContact CD1-CE2 3.62Å; Y139-Y142 AromaticContact CE1-CE2 3.7Å; Y139-Y142 HydrophobicContact CE1-CE2 3.7Å; Y139-Y142 AromaticContact CE1-CZ 3.88Å; Y139-Y142 WeakPolarHBondContact CE1-OH 3.47Å
140S32.3Very low37.7Very low104 Ų104128.9 Ų128.973%0.72770%0.698SS**  trans-177.560.2156.4-76.60000109.8N138N138-S140 PolarHBondContact O-N 3.29Å
141D30.2Very low40.4Very low150 Ų150122.7 Ų122.780%0.80268%0.675SS**  trans-16761.5156.6-87.2-28.1000106.5I143D141-I143 PolarHBondContact O-N 3.21Å
142Y34.4Very low42.7Very low176 Ų176122.6 Ų122.669%0.6967%0.667SS**  trans-65.484.5154.5-80-81.6000106.1Y139 L144Y139-Y142 AromaticContact CD1-CE2 3.62Å; Y139-Y142 HydrophobicContact CD1-CE2 3.62Å; Y139-Y142 AromaticContact CE1-CE2 3.7Å; Y139-Y142 HydrophobicContact CE1-CE2 3.7Å; Y139-Y142 AromaticContact CE1-CZ 3.88Å; Y139-Y142 WeakPolarHBondContact CE1-OH 3.47Å; Y142-L144 PolarHBondContact O-N 2.9Å
143I38Very low45.1Very low146 Ų146122 Ų12275%0.74966%0.664SS**  trans-53.9102.3154.7-61.2176.4000103.9D141 P145D141-I143 PolarHBondContact O-N 3.21Å; I143-P145 WeakPolarHBondContact O-CD 3.33Å; I143-P145 VanDerWaalsContact O-N 3.12Å
144L38Very low47.6Very low126 Ų126117.3 Ų117.366%0.6664%0.641SS**  trans-38.5117.7174.1-156.878.1000108.4Y142 D146Y142-L144 PolarHBondContact O-N 2.9Å; L144-D146 PolarHBondContact O-N 2.87Å
145P49Very low50.2Low100 Ų100116.6 Ų116.665%0.64963%0.632SS**THydrogen-bonded Turntrans-64.9-7.2-177.2-20.431.9000114I143I143-P145 WeakPolarHBondContact O-CD 3.33Å; I143-P145 VanDerWaalsContact O-N 3.12Å
146D49.1Very low52.6Low130 Ų130117.5 Ų117.570%0.69563%0.628SS**THydrogen-bonded Turntrans-105.930.3-166.1-59-31.9000114.1L144 P148L144-D146 PolarHBondContact O-N 2.87Å; D146-P148 VanDerWaalsContact O-CD 3.27Å; D146-P148 WeakPolarHBondContact O-CD 3.27Å
147C55.1Low55Low67 Ų67120.3 Ų120.345%0.45362%0.624SS.*  trans-77.1116.8163.9-1470000107.7L149 S150C147-L149 PolarHBondContact O-N 3.2Å; C147-S150 PolarHBondContact O-N 3.31Å; C147-S150 PolarHBondContact O-OG 2.75Å
148P59.4Low57.6Low103 Ų103116.4 Ų116.467%0.66961%0.611SS**G310 helixtrans-56.7-21.8178.520.6-31.9000112.7D146 S151 V154D146-P148 VanDerWaalsContact O-CD 3.27Å; D146-P148 WeakPolarHBondContact O-CD 3.27Å; P148-S151 WeakPolarHBondContact O-CB 3.46Å; P148-S151 PolarHBondContact O-N 3.09Å; P148-S151 PolarHBondContact O-OG 3.49Å; P148-V154 WeakPolarHBondContact O-CG2 3.42Å
149L64.3Low59.9Low127 Ų127111.7 Ų111.767%0.66559%0.593SS**G310 helixtrans-72.9-19.6173.6-62.3173.4000114.6C147 V154C147-L149 PolarHBondContact O-N 3.2Å; L149-V154 HydrophobicContact CD2-CG1 4.43Å
150S64.5Low62.3Low49 Ų49111.4 Ų111.434%0.34360%0.595SS.*G310 helixtrans-87.2-4.5175.354.80000113.6C147C147-S150 PolarHBondContact O-N 3.31Å; C147-S150 PolarHBondContact O-OG 2.75Å
151S79Confident64.5Low47 Ų47109.9 Ų109.933%0.32958%0.582SS.*SBendtrans-60.8140.1176.869.70000111.5P148 L153 V154 K155P148-S151 WeakPolarHBondContact O-CB 3.46Å; P148-S151 PolarHBondContact O-N 3.09Å; P148-S151 PolarHBondContact O-OG 3.49Å; S151-L153 PolarHBondContact O-N 2.78Å; S151-L153 VanDerWaalsContact O-N 3.15Å; S151-V154 PolarHBondContact O-N 2.98Å; S151-V154 VanDerWaalsContact O-N 3.07Å; S151-V154 VanDerWaalsContact OG-CG2 3.26Å; S151-V154 WeakPolarHBondContact OG-CG2 3.26Å; S151-K155 PolarHBondContact O-N 2.89Å
152N76.5Confident66.6Low122 Ų122106.9 Ų106.965%0.65258%0.577SS**Hα-helixtrans-58.8-29.1-179.6-77-21.3000112.6K155 L156N152-K155 PolarHBondContact O-N 3.26Å; N152-L156 WeakPolarHBondContact O-CG 3.49Å; N152-L156 PolarHBondContact O-N 3.4Å
153L79.6Confident68.4Low139 Ų139103.7 Ų103.773%0.72858%0.577SS**Hα-helixtrans-64.7-43.5175.2-70.5173.7000112.4S151 K155 L156 Y157S151-L153 PolarHBondContact O-N 2.78Å; S151-L153 VanDerWaalsContact O-N 3.15Å; L153-K155 VanDerWaalsContact C-N 3.34Å; L153-L156 PolarHBondContact O-N 2.99Å; L153-Y157 WeakPolarHBondContact O-CB 3.49Å; L153-Y157 PolarHBondContact O-N 2.77Å
154V80Confident69.4Low42 Ų42100.3 Ų100.326%0.25557%0.565SS.*Hα-helixtrans-65.4-40.3177.5172.10000110.6P148 L149 S151 L156 Y157 L158P148-V154 WeakPolarHBondContact O-CG2 3.42Å; L149-V154 HydrophobicContact CD2-CG1 4.43Å; S151-V154 PolarHBondContact O-N 2.98Å; S151-V154 VanDerWaalsContact O-N 3.07Å; S151-V154 VanDerWaalsContact OG-CG2 3.26Å; S151-V154 WeakPolarHBondContact OG-CG2 3.26Å; V154-L156 PolarHBondContact O-N 2.76Å; V154-Y157 PolarHBondContact O-N 3.29Å; V154-L158 HydrophobicContact CG1-CD1 3.82Å; V154-L158 HydrophobicContact CG1-CG 4.39Å; V154-L158 WeakPolarHBondContact O-CB 3.43Å; V154-L158 WeakPolarHBondContact O-CG 3.42Å; V154-L158 PolarHBondContact O-N 3.3Å
155K79.8Confident70.1Confident122 Ų122103.1 Ų103.153%0.5357%0.573SS.*Hα-helixtrans-59.9-45174.3-68.1178.4-175.5169.30112.1S151 N152 L153 A159S151-K155 PolarHBondContact O-N 2.89Å; N152-K155 PolarHBondContact O-N 3.26Å; L153-K155 VanDerWaalsContact C-N 3.34Å; K155-A159 WeakPolarHBondContact O-CB 3.27Å; K155-A159 PolarHBondContact O-N 3Å
156L77.1Confident70.1Confident120 Ų120104.3 Ų104.363%0.62858%0.58SS**Hα-helixtrans-65.2-41.3177.5-74.5170.1000112.2N152 L153 V154 A159 K160N152-L156 WeakPolarHBondContact O-CG 3.49Å; N152-L156 PolarHBondContact O-N 3.4Å; L153-L156 PolarHBondContact O-N 2.99Å; V154-L156 PolarHBondContact O-N 2.76Å; L156-A159 PolarHBondContact O-N 2.71Å; L156-K160 WeakPolarHBondContact O-CB 3.45Å; L156-K160 PolarHBondContact O-N 3.03Å
157Y82.8Confident70Confident161 Ų161104.5 Ų104.563%0.63159%0.586SS**Hα-helixtrans-63.6-47.7176.7179.7-99.7000111.7L153 V154 A159 K160 V161L153-Y157 WeakPolarHBondContact O-CB 3.49Å; L153-Y157 PolarHBondContact O-N 2.77Å; V154-Y157 PolarHBondContact O-N 3.29Å; Y157-A159 VanDerWaalsContact C-N 3.33Å; Y157-A159 PolarHBondContact O-N 3.49Å; Y157-K160 WeakPolarHBondContact O-CB 3.47Å; Y157-K160 PolarHBondContact O-N 2.79Å; Y157-K160 VanDerWaalsContact O-N 3.11Å; Y157-V161 HydrophobicContact CD1-CG2 4.19Å; Y157-V161 HydrophobicContact CE1-CG2 3.74Å; Y157-V161 HydrophobicContact CE2-CG2 4.17Å; Y157-V161 WeakPolarHBondContact O-CG2 3.3Å; Y157-V161 PolarHBondContact O-N 3.06Å
158L80.1Confident69.2Low106 Ų106110 Ų11056%0.55561%0.605SS**Hα-helixtrans-62-40.2177.2-74.9167.9000111.9V154 K160 V161 A162V154-L158 HydrophobicContact CG1-CD1 3.82Å; V154-L158 HydrophobicContact CG1-CG 4.39Å; V154-L158 WeakPolarHBondContact O-CB 3.43Å; V154-L158 WeakPolarHBondContact O-CG 3.42Å; V154-L158 PolarHBondContact O-N 3.3Å; L158-K160 VanDerWaalsContact C-N 3.3Å; L158-K160 PolarHBondContact O-N 2.85Å; L158-V161 PolarHBondContact O-N 3.46Å; L158-A162 VanDerWaalsContact O-CB 3.32Å; L158-A162 WeakPolarHBondContact O-CB 3.27Å; L158-A162 PolarHBondContact O-N 3.32Å
159A77.6Confident68.3Low54 Ų54115 Ų11545%0.44661%0.612SS.*Hα-helixtrans-62.7-37.4174.100000112.1K155 L156 Y157 T163K155-A159 WeakPolarHBondContact O-CB 3.27Å; K155-A159 PolarHBondContact O-N 3Å; L156-A159 PolarHBondContact O-N 2.71Å; Y157-A159 VanDerWaalsContact C-N 3.33Å; Y157-A159 PolarHBondContact O-N 3.49Å; A159-T163 WeakPolarHBondContact O-CB 3.47Å; A159-T163 VanDerWaalsContact O-CG2 3.31Å; A159-T163 WeakPolarHBondContact O-CG2 3.21Å; A159-T163 PolarHBondContact O-N 2.67Å; A159-T163 PolarHBondContact O-OG1 2.89Å
160K82.3Confident66.7Low149 Ų149117.9 Ų117.965%0.64862%0.619SS**Hα-helixtrans-69.2-42.2176.7-170.3175.1-178.6179.10112.1L156 Y157 L158 A162 T163 S164L156-K160 WeakPolarHBondContact O-CB 3.45Å; L156-K160 PolarHBondContact O-N 3.03Å; Y157-K160 WeakPolarHBondContact O-CB 3.47Å; Y157-K160 PolarHBondContact O-N 2.79Å; Y157-K160 VanDerWaalsContact O-N 3.11Å; L158-K160 VanDerWaalsContact C-N 3.3Å; L158-K160 PolarHBondContact O-N 2.85Å; K160-A162 VanDerWaalsContact C-N 3.34Å; K160-T163 WeakPolarHBondContact CA-OG1 3.37Å; K160-T163 PolarHBondContact O-N 3Å; K160-T163 PolarHBondContact O-OG1 3.22Å; K160-S164 WeakPolarHBondContact O-CB 3.47Å; K160-S164 PolarHBondContact O-N 3.46Å; K160-S164 PolarHBondContact O-OG 3.33Å
161V76.9Confident65.2Low72 Ų72120.1 Ų120.144%0.43663%0.634SS.*Hα-helixtrans-66-39.1176.4175.10000110.9Y157 L158 T163 S164Y157-V161 HydrophobicContact CD1-CG2 4.19Å; Y157-V161 HydrophobicContact CE1-CG2 3.74Å; Y157-V161 HydrophobicContact CE2-CG2 4.17Å; Y157-V161 WeakPolarHBondContact O-CG2 3.3Å; Y157-V161 PolarHBondContact O-N 3.06Å; L158-V161 PolarHBondContact O-N 3.46Å; V161-T163 VanDerWaalsContact C-N 3.28Å; V161-T163 PolarHBondContact O-N 3.42Å; V161-S164 PolarHBondContact O-OG 2.99Å; V161-S164 VanDerWaalsContact O-OG 3.13Å
162A74.2Confident63.4Low86 Ų86123.9 Ų123.971%0.71166%0.657SS**Hα-helixtrans-67-28.1175.900000113.2L158 K160L158-A162 VanDerWaalsContact O-CB 3.32Å; L158-A162 WeakPolarHBondContact O-CB 3.27Å; L158-A162 PolarHBondContact O-N 3.32Å; K160-A162 VanDerWaalsContact C-N 3.34Å
163T73.2Confident61.3Low110 Ų110124.9 Ų124.968%0.67566%0.662SS**Hα-helixtrans-95.5-17.5179.352.30000113.7A159 K160 V161 K165A159-T163 WeakPolarHBondContact O-CB 3.47Å; A159-T163 VanDerWaalsContact O-CG2 3.31Å; A159-T163 WeakPolarHBondContact O-CG2 3.21Å; A159-T163 PolarHBondContact O-N 2.67Å; A159-T163 PolarHBondContact O-OG1 2.89Å; K160-T163 WeakPolarHBondContact CA-OG1 3.37Å; K160-T163 PolarHBondContact O-N 3Å; K160-T163 PolarHBondContact O-OG1 3.22Å; V161-T163 VanDerWaalsContact C-N 3.28Å; V161-T163 PolarHBondContact O-N 3.42Å; T163-K165 PolarHBondContact O-N 2.87Å; T163-K165 VanDerWaalsContact O-N 3.12Å
164S58.1Low58.9Low74 Ų74125.1 Ų125.152%0.51766%0.664SS.*  trans-75.1103.2177.764.90000110.4K160 V161K160-S164 WeakPolarHBondContact O-CB 3.47Å; K160-S164 PolarHBondContact O-N 3.46Å; K160-S164 PolarHBondContact O-OG 3.33Å; V161-S164 PolarHBondContact O-OG 2.99Å; V161-S164 VanDerWaalsContact O-OG 3.13Å
165K54.6Low56.5Low186 Ų186128.5 Ų128.581%0.80969%0.69SS**  trans-61140.9166.5-66.4-155.6175.7-171.90109.5T163 T167T163-K165 PolarHBondContact O-N 2.87Å; T163-K165 VanDerWaalsContact O-N 3.12Å; K165-T167 PolarHBondContact O-N 2.95Å
166P48.4Very low54.2Low125 Ų125127.4 Ų127.481%0.81270%0.698SS**  trans-65.3107.8-178.626.3-32.7000109.3E168P166-E168 PolarHBondContact O-N 3.27Å
167T45.9Very low51.9Low133 Ų133132.8 Ų132.882%0.81671%0.71SS**  trans-74.3110.5170.211.10000108.4K165 Y169K165-T167 PolarHBondContact O-N 2.95Å; T167-Y169 PolarHBondContact O-N 3.43Å
168E38.9Very low49.4Very low182 Ų182130.1 Ų130.185%0.8572%0.715SS**  trans-57.5101.5170.2-74.8-177.4168.300109.7P166 K170P166-E168 PolarHBondContact O-N 3.27Å; E168-K170 PolarHBondContact O-N 3.37Å; E168-K170 VanDerWaalsContact O-N 3.14Å
169Y40.1Very low46.9Very low209 Ų209136.2 Ų136.282%0.8273%0.731SS**  trans-80.294.3178.3-156.8-92.8000109.4T167 C171T167-Y169 PolarHBondContact O-N 3.43Å; Y169-C171 PolarHBondContact O-N 2.9Å
170K32Very low44.5Very low188 Ų188138.4 Ų138.482%0.81774%0.743SS**  trans-79.9104.7165.8-86.1-169.5176.5179.90109.5E168 P172E168-K170 PolarHBondContact O-N 3.37Å; E168-K170 VanDerWaalsContact O-N 3.14Å; K170-P172 WeakPolarHBondContact O-CD 3.43Å
171C33Very low42.3Very low95 Ų95137.5 Ų137.564%0.64275%0.752SS**PPolyproline II helixtrans-63.8123.9168.1-75.50000110.5Y169 N173Y169-C171 PolarHBondContact O-N 2.9Å; C171-N173 PolarHBondContact O-N 3.43Å
172P40.1Very low40.1Very low127 Ų127142 Ų14283%0.82577%0.768SS**PPolyproline II helixtrans-76.1125.3172.9-925.5000110.4K170K170-P172 WeakPolarHBondContact O-CD 3.43Å
173N32.9Very low37.9Very low142 Ų142144.6 Ų144.676%0.75978%0.775SS**PPolyproline II helixtrans-69.9131.8171.4-86.5-21.9000111.5C171C171-N173 PolarHBondContact O-N 3.43Å
174N29.9Very low36Very low144 Ų144144.2 Ų144.277%0.7778%0.777SS**  trans68.8126.7140.5-53.1-18000121.2
175S29.5Very low34.6Very low113 Ų113147.2 Ų147.279%0.7979%0.792SS**  trans95.5125.5140.1-155.50000119.7
176S30.9Very low33.5Very low100 Ų100146.2 Ų146.270%0.69979%0.79SS**  trans100.5103.8144.2-27.50000119.1
177R29.3Very low32.7Very low232 Ų232146.3 Ų146.388%0.87578%0.784SS**  74.9103.7121.1-153.2170.2-170.7-175.23.3118.4
178S29.2Very low32.2Very low106 Ų106147.3 Ų147.374%0.74178%0.784SS**  trans25.5105.6142.865.30000118.2
179R27.3Very low32.6Very low234 Ų234143.4 Ų143.488%0.88378%0.775SS**  trans-140.8126.3142.6-109.8179.7-176.1-179.70.6109.2
180S29Very low32.6Very low100 Ų100142.3 Ų142.370%0.69978%0.777SS**  trans-60.4157.6169.142.80000110.7Q182S180-Q182 PolarHBondContact O-N 2.95Å
181P35.9Very low32.8Very low130 Ų130143.3 Ų143.384%0.84478%0.775SS**  trans-69.4105.1-172.5-9.325.1000109.6
182Q29.5Very low33.1Very low165 Ų165144.5 Ų144.577%0.77178%0.775SS**  trans-84.8113.7160.7-87.2-170.9-28.400108.1S180 S184S180-Q182 PolarHBondContact O-N 2.95Å; Q182-S184 PolarHBondContact O-N 3.19Å
183T28.7Very low33.1Very low141 Ų141142.7 Ų142.787%0.86576%0.763SS**  trans-66.2103.416448.30000108.8
184S32.4Very low33.7Very low102 Ų102144.4 Ų144.471%0.71377%0.766SS**  trans-144.5107.7159640000110.2Q182Q182-S184 PolarHBondContact O-N 3.19Å
185V30.2Very low34.2Very low137 Ų137143.4 Ų143.483%0.8377%0.769SS**  trans-29121.2155.9-177.90000112.4
186Q31.3Very low34.7Very low166 Ų166143.3 Ų143.378%0.77676%0.759SS**  trans-173.4120.3134.1-103.8-174.6-52.300111.9
187D31.3Very low35Very low127 Ų127143 Ų14368%0.67975%0.747SS**  trans58.498.4139.8-51.1-26.8000121
188D35.2Very low35.6Very low154 Ų154139.3 Ų139.382%0.82474%0.743SS**  -173.1145.8115.4-118.7-15.7000113.3H190D188-H190 PolarHBondContact O-N 3.2Å
189P46.8Very low36.1Very low99 Ų99141.3 Ų141.364%0.64374%0.74SS**  trans-101.278.6-157.139.6-35000113.9
190H40.2Very low36.7Very low187 Ų187134.8 Ų134.887%0.86673%0.728SS**  trans-141.331.2162.9-68.4-56.6000113D188 L192D188-H190 PolarHBondContact O-N 3.2Å; H190-L192 PolarHBondContact O-N 3.3Å
191R36.1Very low37.3Very low208 Ų208135.8 Ų135.879%0.78573%0.732SS**  trans-77.6106.4173.9-86-172.3176.4-175.6-1.6110.3
192L40.3Very low37.5Very low121 Ų121135 Ų13563%0.63473%0.725SS**  trans-54.2153.6159.6-75.2165.4000110H190 E194 L196H190-L192 PolarHBondContact O-N 3.3Å; L192-E194 PolarHBondContact O-N 3.02Å; L192-L196 HydrophobicContact CB-CB 4.36Å
193P38.5Very low38Very low89 Ų89134.4 Ų134.458%0.57873%0.726SS**  trans-49.7139.7178.8-23.931.9000111C195 L196P193-C195 PolarHBondContact O-N 3.36Å; P193-L196 PolarHBondContact O-N 2.93Å
194E46.4Very low38.7Very low177 Ų177131.4 Ų131.483%0.82772%0.716SS**G310 helixtrans-46.1-24.6-170.7-151.2166.4-163.600114.4L192 L196L192-E194 PolarHBondContact O-N 3.02Å; E194-L196 VanDerWaalsContact C-N 3.26Å; E194-L196 PolarHBondContact O-N 3.26Å
195C41.1Very low39.2Very low123 Ų123131.9 Ų131.983%0.83172%0.719SS**G310 helixtrans-65.2-19.7174.9-37.20000114.9P193P193-C195 PolarHBondContact O-N 3.36Å
196L39.6Very low39.7Very low111 Ų111133 Ų13358%0.58172%0.717SS**G310 helixtrans-109.83.9-174.7-66.7174.8000113.5L192 P193 E194 I198L192-L196 HydrophobicContact CB-CB 4.36Å; P193-L196 PolarHBondContact O-N 2.93Å; E194-L196 VanDerWaalsContact C-N 3.26Å; E194-L196 PolarHBondContact O-N 3.26Å; L196-I198 PolarHBondContact O-N 3.21Å
197Q36.3Very low40.3Very low93 Ų93130.9 Ų130.944%0.43572%0.716SS.*  trans-78.292.1177.6-155.7167.715.800109.1H199Q197-H199 VanDerWaalsContact C-N 3.32Å; Q197-H199 PolarHBondContact O-N 2.86Å
198I41.6Very low40.8Very low155 Ų155132.5 Ų132.580%0.79572%0.721SS**  trans-64.796.7172.4-46.4172.4000106.4L196 P200L196-I198 PolarHBondContact O-N 3.21Å; I198-P200 WeakPolarHBondContact O-CD 3.28Å
199H40Very low41.2Very low148 Ų148130.7 Ų130.769%0.68572%0.718SS**  trans-55.5123.2170.5-102.2-89.4000107.4Q197Q197-H199 VanDerWaalsContact C-N 3.32Å; Q197-H199 PolarHBondContact O-N 2.86Å
200P40.8Very low41.6Very low98 Ų98131.7 Ų131.764%0.63672%0.722SS**  trans-55.7136175.320.9-29.3000107.9I198 T202I198-P200 WeakPolarHBondContact O-CD 3.28Å; P200-T202 VanDerWaalsContact C-N 3.35Å; P200-T202 PolarHBondContact O-N 3.48Å
201P42.2Very low41.6Very low120 Ų120129.6 Ų129.678%0.77972%0.717SS**  trans-65.992.8-164.126-34.5000109.9L203P201-L203 PolarHBondContact O-N 2.93Å
202T39.2Very low41.7Very low113 Ų113127.7 Ų127.769%0.69372%0.717SS**  trans-67.4104.9164.5-45.30000105.6P200 A204P200-T202 VanDerWaalsContact C-N 3.35Å; P200-T202 PolarHBondContact O-N 3.48Å; T202-A204 HydrophobicContact CG2-CB 4.11Å; T202-A204 PolarHBondContact O-N 2.96Å
203L40.7Very low41.9Very low153 Ų153129.3 Ų129.380%0.80173%0.725SS**THydrogen-bonded Turntrans-53.813.2177.3-90154.6000115.4P201 M206P201-L203 PolarHBondContact O-N 2.93Å; L203-M206 HydrophobicContact CD2-CE 4.21Å
204A41.8Very low42Very low79 Ų79132.4 Ų132.465%0.65374%0.735SS**THydrogen-bonded Turntrans-93.2-1.6-174.400000115T202T202-A204 HydrophobicContact CG2-CB 4.11Å; T202-A204 PolarHBondContact O-N 2.96Å
205S44Very low41.6Very low111 Ų111133.4 Ų133.478%0.77673%0.731SS**  trans-1098.6-174.2-168.40000116V207S205-V207 VanDerWaalsContact C-N 3.27Å; S205-V207 PolarHBondContact O-N 3.35Å
206M39.3Very low41.3Very low160 Ų160131.8 Ų131.879%0.78873%0.726SS**  trans-85.45.7174.1-71.9-166-5900113.9L203 M208L203-M206 HydrophobicContact CD2-CE 4.21Å; M206-M208 PolarHBondContact O-N 2.79Å
207V45.2Very low41.1Very low123 Ų123133.4 Ų133.475%0.74573%0.73SS**  trans-79.9105.1172.7-175.40000107.7S205S205-V207 VanDerWaalsContact C-N 3.27Å; S205-V207 PolarHBondContact O-N 3.35Å
208M41Very low41Very low161 Ų161134.9 Ų134.979%0.79375%0.746SS**  trans-52.3135.2167.6-85.7-157.1-56.800109.1M206 V210M206-M208 PolarHBondContact O-N 2.79Å; M208-V210 PolarHBondContact O-N 2.8Å
209P44.8Very low40.5Very low116 Ų116133.9 Ų133.975%0.75374%0.742SS**  trans-59.7114.6172.723.8-30.7000108.4N211P209-N211 PolarHBondContact O-N 2.88Å; P209-N211 VanDerWaalsContact O-N 3.12Å
210V53.8Low40.3Very low120 Ų120135.4 Ų135.473%0.72775%0.75SS**  trans-67.9110.9170.8177.30000105.8M208 Q212M208-V210 PolarHBondContact O-N 2.8Å; V210-Q212 PolarHBondContact O-N 2.84Å
211N41.1Very low39.8Very low142 Ų142137.2 Ų137.276%0.75975%0.754SS**  trans-58.691.1169.9-73.1-26.5000108.3P209 I213P209-N211 PolarHBondContact O-N 2.88Å; P209-N211 VanDerWaalsContact O-N 3.12Å; N211-I213 VanDerWaalsContact C-N 3.28Å; N211-I213 PolarHBondContact O-N 2.69Å
212Q38Very low39.1Very low168 Ų168141.3 Ų141.379%0.78576%0.76SS**  trans-69.296.3165.8-68.4-173.87.900105.9V210 I214V210-Q212 PolarHBondContact O-N 2.84Å; Q212-I214 PolarHBondContact O-N 3.11Å
213I44.5Very low38.7Very low155 Ų155141.2 Ų141.280%0.79576%0.764SS**  trans-62.996.6166.7-60.2170.2000105.2N211 R215N211-I213 VanDerWaalsContact C-N 3.28Å; N211-I213 PolarHBondContact O-N 2.69Å; I213-R215 VanDerWaalsContact C-N 3.28Å; I213-R215 PolarHBondContact O-N 3.32Å
214I40Very low38Very low154 Ų154143.3 Ų143.379%0.7977%0.769SS**  trans-64.498.1169-60.5173.8000105.2Q212 A216Q212-I214 PolarHBondContact O-N 3.11Å; I214-A216 PolarHBondContact O-N 2.99Å
215R38.7Very low37.5Very low199 Ų199147.9 Ų147.975%0.75178%0.779SS**  trans-63.4108.5171.1-157177.5-153.7-172.85.1105.5I213 H217I213-R215 VanDerWaalsContact C-N 3.28Å; I213-R215 PolarHBondContact O-N 3.32Å; R215-H217 PolarHBondContact O-CD2 2.99Å; R215-H217 VanDerWaalsContact O-CD2 3.25Å; R215-H217 PolarHBondContact O-N 3.31Å
216A34.9Very low36.8Very low88 Ų88151.7 Ų151.773%0.72778%0.782SS**  trans-60.693.1170.700000107.3I214 T218I214-A216 PolarHBondContact O-N 2.99Å; A216-T218 PolarHBondContact O-N 3.02Å
217H34.9Very low36.2Very low145 Ų145154 Ų15467%0.67179%0.787SS**  trans-63.1109.2165.1-73.2-86000105.2R215 N219R215-H217 PolarHBondContact O-CD2 2.99Å; R215-H217 VanDerWaalsContact O-CD2 3.25Å; R215-H217 PolarHBondContact O-N 3.31Å; H217-N219 PolarHBondContact O-N 2.91Å
218T34.1Very low35.6Very low124 Ų124153.6 Ų153.676%0.76179%0.79SS**  trans-60.185.2166.948.30000107.3A216 Q220A216-T218 PolarHBondContact O-N 3.02Å; T218-Q220 PolarHBondContact O-N 3.01Å
219N32.3Very low35.1Very low134 Ų134153 Ų15372%0.71779%0.79SS**  trans-66.191.1163.2-85.9-18.1000106.2H217 N221H217-N219 PolarHBondContact O-N 2.91Å; N219-N221 PolarHBondContact O-N 3.48Å
220Q34.1Very low34.5Very low180 Ų180157.1 Ų157.184%0.84180%0.796SS**  trans-66.173.9158.6-70-153.90.700108.5T218T218-Q220 PolarHBondContact O-N 3.01Å
221N30.5Very low33.6Very low136 Ų136159.2 Ų159.273%0.72780%0.803SS**  trans-111.794.4164.5-81.8-25.6000108.2N219N219-N221 PolarHBondContact O-N 3.48Å
222K28.4Very low33Very low207 Ų207156.4 Ų156.490%0.981%0.807SS**  trans-2.4117.7151.8-61.3173.3178.2176.80115.3
223S30Very low32.7Very low111 Ų111154.9 Ų154.978%0.77680%0.804SS**  -163.3122.6128.7500000109.6M225S223-M225 PolarHBondContact O-N 3.33Å
224E26.9Very low32.6Very low197 Ų197151.3 Ų151.392%0.92179%0.793SS**  trans-64.7113.3161.5-68.5176.313800107.9
225M31.7Very low32.3Very low175 Ų175151.4 Ų151.486%0.86279%0.794SS**  trans-151.2100.9156.1-115.3156.6101.200111.3S223S223-M225 PolarHBondContact O-N 3.33Å
226K29.3Very low32.1Very low190 Ų190149.3 Ų149.383%0.82680%0.798SS**  trans35.8116.5145.2-66.6-176.5176.7179.30118.2S228K226-S228 PolarHBondContact O-N 2.74Å
227K27Very low32.2Very low209 Ų209151.8 Ų151.891%0.90980%0.798SS**  trans-15.7109.2146.3-66.6176.5176.51800112.6
228S32.2Very low32.2Very low115 Ų115154.2 Ų154.280%0.80480%0.802SS**  trans-128.1126.2151.551.30000107.4K226K226-S228 PolarHBondContact O-N 2.74Å
229D30.2Very low32.3Very low149 Ų149155.6 Ų155.680%0.79780%0.804SS**  trans-67.7145.1-170.2-67.7-61.9000112.6L231D229-L231 PolarHBondContact O-N 2.92Å; D229-L231 VanDerWaalsContact O-N 3.07Å
230K31.7Very low32.5Very low202 Ų202156.9 Ų156.988%0.87881%0.811SS**SBendtrans11.183.9149-71.6175.8171.11780116.2
231L35.4Very low32.6Very low164 Ų164151.1 Ų151.186%0.85980%0.8SS**  trans-178.753.4147-108138.9000111.3D229 N233D229-L231 PolarHBondContact O-N 2.92Å; D229-L231 VanDerWaalsContact O-N 3.07Å; L231-N233 VanDerWaalsContact C-N 3.3Å
232G29.3Very low32.7Very low82 Ų82155.7 Ų155.785%0.84581%0.807SS**  trans-96.728.3163.900000112.1
233N30.7Very low33Very low136 Ų136153.9 Ų153.973%0.72781%0.807SS**  trans-83.1140.6173.9-88.8-5.1000110.1L231L231-N233 VanDerWaalsContact C-N 3.3Å
234S42.2Very low33.2Very low81 Ų81152.5 Ų152.557%0.56680%0.803SS**SBendtrans91-4.8138.673.90000122.2
235L34.6Very low33.5Very low155 Ų155148.6 Ų148.681%0.81279%0.792SS**SBendtrans-84.5-23.8178.4-15470.6000115.1
236N34.3Very low33.8Very low156 Ų156146.1 Ų146.183%0.83479%0.787SS**SBendtrans-90.7-0.1-174.4-121.9-10.5000115.3
237I37.6Very low34.2Very low140 Ų140144.6 Ų144.672%0.71879%0.788SS**SBendtrans-90.2-22.6179.2-59.9179.7000111.7L239I237-L239 PolarHBondContact O-N 3.34Å
238Y34.7Very low34.6Very low195 Ų195138.7 Ų138.777%0.76578%0.778SS**THydrogen-bonded Turntrans-79.7-4.4-172.2-82.7-76.8000116.4
239L35.9Very low34.5Very low153 Ų153138.2 Ų138.280%0.80178%0.775SS**THydrogen-bonded Turntrans-108.6-8.7-176.9-70.9175.5000116.3I237I237-L239 PolarHBondContact O-N 3.34Å
240N35.6Very low34.5Very low162 Ų162142.2 Ų142.287%0.86678%0.78SS**SBendtrans-103.24.1175.6-87.3-6.3000114.8
241G36Very low34.4Very low59 Ų59137.5 Ų137.561%0.60877%0.773SS**  trans-87.92.1-17600000116.9
242R32.7Very low34.3Very low232 Ų232133.8 Ų133.888%0.87576%0.76SS**SBendtrans-91.8-8.5-168.8-107.6-177.9-179.21601.4117.6
243N34.2Very low34.6Very low168 Ų168139 Ų13990%0.89876%0.763SS**SBendtrans-121.419.2-176.2-71.35.2000115.3
244A35.3Very low34.8Very low83 Ų83141.6 Ų141.669%0.68676%0.764SS**  trans-130.249176.900000111.8T246A244-T246 PolarHBondContact O-N 3.06Å
245V33.3Very low34.3Very low115 Ų115142.8 Ų142.870%0.69777%0.772SS**  trans-87.974160.3-1710000106.9
246T37.3Very low34.5Very low122 Ų122144 Ų14475%0.74878%0.779SS**  trans-101.6109.5152.940.40000106.1A244 A248A244-T246 PolarHBondContact O-N 3.06Å; T246-A248 PolarHBondContact O-N 3.48Å
247D38.9Very low34.6Very low159 Ų159139.2 Ų139.285%0.8577%0.767SS**SBendtrans-57.287.5-179.4-73.7-40.4000111.9
248A35.7Very low34.5Very low85 Ų85140 Ų14070%0.70277%0.768SS**  trans-159.233.3159.500000111.6T246 Y250T246-A248 PolarHBondContact O-N 3.48Å; A248-Y250 VanDerWaalsContact C-N 3.33Å; A248-Y250 PolarHBondContact O-N 3.22Å
249S29.2Very low34.5Very low105 Ų105134.8 Ų134.873%0.73476%0.758SS**  trans-87.578.5168.1-63.50000108.8S251S249-S251 PolarHBondContact O-N 2.8Å
250Y31.1Very low34.4Very low232 Ų232137.3 Ų137.391%0.9176%0.757SS**  trans-68.682155.3-89.4-86000107.6A248 S252A248-Y250 VanDerWaalsContact C-N 3.33Å; A248-Y250 PolarHBondContact O-N 3.22Å; Y250-S252 VanDerWaalsContact C-N 3.26Å; Y250-S252 PolarHBondContact O-N 2.95Å
251S29.7Very low34.2Very low104 Ų104132.9 Ų132.973%0.72775%0.749SS**  trans-71.684.9164.6-58.50000107.9S249S249-S251 PolarHBondContact O-N 2.8Å
252S33.3Very low33.9Very low85 Ų85136.4 Ų136.459%0.59475%0.753SS**  trans-75.4123.9158.759.30000107.9Y250 Y254Y250-S252 VanDerWaalsContact C-N 3.26Å; Y250-S252 PolarHBondContact O-N 2.95Å; S252-Y254 PolarHBondContact O-N 3.45Å
253E33.6Very low33.9Very low193 Ų193130.2 Ų130.290%0.90274%0.743SS**  trans-61.638.9-174.9-61.8171.8136.900115.9S255E253-S255 PolarHBondContact O-N 3.06Å
254Y35.5Very low34.4Very low189 Ų189126 Ų12674%0.74173%0.725SS**  trans-77.583.7170.1-71.3-78.2000109.4S252 D256S252-Y254 PolarHBondContact O-N 3.45Å; Y254-D256 PolarHBondContact O-N 2.89Å
255S31.2Very low34.6Very low106 Ų106127.3 Ų127.374%0.74173%0.725SS**  trans-39128.6165.1-177.80000111.1E253 G257E253-S255 PolarHBondContact O-N 3.06Å; S255-G257 PolarHBondContact O-N 3.48Å
256D40.6Very low35Very low180 Ų180125.6 Ų125.696%0.96372%0.716SS**SBendtrans-64.438.2-179.1-73.8-43.9000114.7Y254Y254-D256 PolarHBondContact O-N 2.89Å
257G35.3Very low35.1Very low57 Ų57125.7 Ų125.759%0.58871%0.713SS**  trans-122.812.9-169.800000116.2S255 P259S255-G257 PolarHBondContact O-N 3.48Å; G257-P259 WeakPolarHBondContact O-CD 3.14Å
258E35Very low35.3Very low156 Ų156125.6 Ų125.673%0.72971%0.707SS**  trans-67.7119-177.2-88.4-74.2139.600112W260E258-W260 PolarHBondContact O-N 3.01Å
259P34.3Very low35.7Very low85 Ų85126.7 Ų126.755%0.55271%0.705SS**  trans-73.8126.6-176.827.5-30.8000111.7G257 G261G257-P259 WeakPolarHBondContact O-CD 3.14Å; P259-G261 PolarHBondContact O-N 2.89Å
260W33.9Very low36.6Very low207 Ų207126.7 Ų126.778%0.78470%0.697SS**THydrogen-bonded Turntrans-54.113.9-177.7-69.891.7000118.4E258 M291E258-W260 PolarHBondContact O-N 3.01Å; W260-M291 HydrophobicContact CH2-CE 4.48Å; W260-M291 HydrophobicContact CZ3-CE 3.98Å
261G31.9Very low37.2Very low68 Ų68122 Ų12270%0.70169%0.692SS**THydrogen-bonded Turntrans-114.8-15.7-170.900000116.5P259P259-G261 PolarHBondContact O-N 2.89Å
262L29.7Very low38.1Very low133 Ų133118.9 Ų118.970%0.69668%0.677SS**SBendtrans-110.2132.2-177.9-73160.7000109.9
263P34.1Very low39Very low102 Ų102125.8 Ų125.866%0.66269%0.691SS**  trans-55.4139.6168.224.4-30.8000107.9V265P263-V265 PolarHBondContact O-N 2.81Å
264P44.5Very low39.8Very low80 Ų80122.3 Ų122.352%0.51968%0.678SS.*  trans-56.8108.3-177.122.5-31.5000107.8C266 M288P264-C266 PolarHBondContact O-N 3.07Å; P264-M288 HydrophobicContact CG-CE 4.19Å; P264-M288 HydrophobicContact CG-SD 3.71Å
265V37.9Very low40.7Very low111 Ų111117.3 Ų117.367%0.67367%0.671SS**  trans-66.799.5165.9-177.50000103.2P263 D267P263-V265 PolarHBondContact O-N 2.81Å; V265-D267 VanDerWaalsContact CG1-OD1 3.3Å; V265-D267 WeakPolarHBondContact CG1-OD1 3.26Å; V265-D267 PolarHBondContact O-N 3.12Å
266C41.7Very low42.2Very low78 Ų78117.4 Ų117.453%0.52766%0.663SS.*  trans-68.183.4169.2-62.90000105.1P264 H268P264-C266 PolarHBondContact O-N 3.07Å; C266-H268 PolarHBondContact O-N 2.78Å; C266-H268 PolarHBondContact O-ND1 3.22Å
267D39.4Very low43.2Very low125 Ų125112.1 Ų112.167%0.66864%0.635SS**  trans-64.995.3164.7-79.7-21.6000105.5V265 T269V265-D267 VanDerWaalsContact CG1-OD1 3.3Å; V265-D267 WeakPolarHBondContact CG1-OD1 3.26Å; V265-D267 PolarHBondContact O-N 3.12Å; D267-T269 HydrophobicContact CB-CG2 4.46Å; D267-T269 PolarHBondContact O-N 3Å
268H44.5Very low44.6Very low157 Ų157116.7 Ų116.773%0.72764%0.641SS**  trans-68.868.9173.8-70.671.5000108.1C266 N270C266-H268 PolarHBondContact O-N 2.78Å; C266-H268 PolarHBondContact O-ND1 3.22Å; H268-N270 PolarHBondContact O-N 2.97Å
269T44.5Very low46.4Very low107 Ų107115.7 Ų115.766%0.65664%0.64SS**  trans-87.313.1171.3510000112.4D267 T271D267-T269 HydrophobicContact CB-CG2 4.46Å; D267-T269 PolarHBondContact O-N 3Å; T269-T271 PolarHBondContact O-N 2.99Å
270N47.1Very low48.2Very low106 Ų106115.2 Ų115.257%0.56763%0.632SS**  trans-91.253.7167.1-70.5-10.9000110.6H268 G272 S275H268-N270 PolarHBondContact O-N 2.97Å; N270-G272 VanDerWaalsContact C-N 3.31Å; N270-G272 PolarHBondContact O-N 2.82Å; N270-S275 WeakPolarHBondContact O-CB 3.3Å
271T44.1Very low50.1Low132 Ų132111.8 Ų111.881%0.8163%0.625SS**  trans-86.973.8165.545.20000109T269T269-T271 PolarHBondContact O-N 2.99Å
272G47.6Very low52.1Low40 Ų40111 Ų11141%0.41261%0.611SS.*SBendtrans-151.9174.7176.100000111.5N270 L274 S275N270-G272 VanDerWaalsContact C-N 3.31Å; N270-G272 PolarHBondContact O-N 2.82Å; G272-L274 PolarHBondContact O-N 2.84Å; G272-S275 VanDerWaalsContact O-CB 3.27Å; G272-S275 WeakPolarHBondContact O-CB 3.46Å; G272-S275 PolarHBondContact O-N 3.38Å; G272-S275 PolarHBondContact O-OG 3.47Å; G272-S275 VanDerWaalsContact O-OG 3.07Å
273Y52.2Low54.4Low229 Ų229109.6 Ų109.690%0.89861%0.608SS**THydrogen-bonded Turntrans-54.1-0.1-179.8-79.3-85.7000116.4
274L51Low56.4Low120 Ų120107.6 Ų107.663%0.62860%0.596SS**THydrogen-bonded Turntrans-109.72.7176.1-62.4174000112.5G272 D276 N277 I280G272-L274 PolarHBondContact O-N 2.84Å; L274-D276 PolarHBondContact O-N 2.97Å; L274-N277 WeakPolarHBondContact O-CB 3.49Å; L274-N277 PolarHBondContact O-N 3.12Å; L274-N277 PolarHBondContact O-ND2 3.31Å; L274-I280 WeakPolarHBondContact O-CD1 3.47Å
275S54.5Low57.9Low84 Ų84109.4 Ų109.459%0.58760%0.598SS**THydrogen-bonded Turntrans-69.1-20.3-18065.40000113.5N270 G272 N277N270-S275 WeakPolarHBondContact O-CB 3.3Å; G272-S275 VanDerWaalsContact O-CB 3.27Å; G272-S275 WeakPolarHBondContact O-CB 3.46Å; G272-S275 PolarHBondContact O-N 3.38Å; G272-S275 PolarHBondContact O-OG 3.47Å; G272-S275 VanDerWaalsContact O-OG 3.07Å; S275-N277 VanDerWaalsContact C-N 3.28Å
276D61.6Low59.9Low109 Ų109106.9 Ų106.958%0.58359%0.589SS**THydrogen-bonded Turntrans-81.7-4.2176.860.3-12.7000113L274 H278L274-D276 PolarHBondContact O-N 2.97Å; D276-H278 PolarHBondContact O-N 3.47Å; D276-H278 PolarHBondContact O-ND1 3.2Å
277N62.5Low62Low69 Ų69110.3 Ų110.337%0.36960%0.595SS.*  trans-70.9101.2174.9-77-48.5000110.7L274 S275 L279 I280L274-N277 WeakPolarHBondContact O-CB 3.49Å; L274-N277 PolarHBondContact O-N 3.12Å; L274-N277 PolarHBondContact O-ND2 3.31Å; S275-N277 VanDerWaalsContact C-N 3.28Å; N277-L279 PolarHBondContact O-N 3.02Å; N277-I280 HydrophobicContact CB-CD1 3.93Å; N277-I280 HydrophobicContact CB-CG1 3.95Å; N277-I280 WeakPolarHBondContact O-CB 3.43Å; N277-I280 PolarHBondContact O-N 3.35Å
278H64.3Low64.2Low153 Ų153109 Ų10971%0.70859%0.586SS**Hα-helixtrans-57.6-20.5176.3-62.431.8000112.3D276 I280 A282D276-H278 PolarHBondContact O-N 3.47Å; D276-H278 PolarHBondContact O-ND1 3.2Å; H278-I280 VanDerWaalsContact C-N 3.35Å; H278-A282 PolarHBondContact O-N 3.45Å
279L73.8Confident66Low135 Ų135106.4 Ų106.471%0.70758%0.576SS**Hα-helixtrans-66.5-33.6173.9-66.8175.1000112.7N277 A282 V283N277-L279 PolarHBondContact O-N 3.02Å; L279-A282 PolarHBondContact O-N 2.94Å; L279-V283 VanDerWaalsContact O-CG2 3.26Å; L279-V283 WeakPolarHBondContact O-CG2 3.3Å; L279-V283 PolarHBondContact O-N 3.17Å
280I70.8Confident68Low74 Ų74105.4 Ų105.438%0.37957%0.567SS.*Hα-helixtrans-68.1-43.6178.4-60.7176.7000109.7L274 N277 H278 V283 S284L274-I280 WeakPolarHBondContact O-CD1 3.47Å; N277-I280 HydrophobicContact CB-CD1 3.93Å; N277-I280 HydrophobicContact CB-CG1 3.95Å; N277-I280 WeakPolarHBondContact O-CB 3.43Å; N277-I280 PolarHBondContact O-N 3.35Å; H278-I280 VanDerWaalsContact C-N 3.35Å; I280-V283 PolarHBondContact O-N 3.06Å; I280-S284 PolarHBondContact O-N 2.83Å
281E74.3Confident69.8Low136 Ų136103.7 Ų103.764%0.63656%0.557SS**Hα-helixtrans-60.3-47.8175-170.3175.2-170.700110.7V283 S284 E285E281-V283 VanDerWaalsContact C-N 3.32Å; E281-V283 PolarHBondContact O-N 3.14Å; E281-S284 PolarHBondContact O-N 2.8Å; E281-S284 VanDerWaalsContact O-N 3.11Å; E281-S284 PolarHBondContact O-OG 2.86Å; E281-E285 WeakPolarHBondContact O-CB 3.46Å; E281-E285 PolarHBondContact O-N 2.82Å
282A73.6Confident71.7Confident50 Ų5099.8 Ų99.841%0.41354%0.535SS..Hα-helixtrans-59.9-38.2177.700000113.3H278 L279 A286H278-A282 PolarHBondContact O-N 3.45Å; L279-A282 PolarHBondContact O-N 2.94Å; A282-A286 VanDerWaalsContact O-CB 3.26Å; A282-A286 WeakPolarHBondContact O-CB 3.26Å; A282-A286 PolarHBondContact O-N 3.38Å
283V77.9Confident73.7Confident104 Ų104103.3 Ų103.363%0.6354%0.539SS*.Hα-helixtrans-67.8-41.3175.71710000110.9L279 I280 E281 A286 K287L279-V283 VanDerWaalsContact O-CG2 3.26Å; L279-V283 WeakPolarHBondContact O-CG2 3.3Å; L279-V283 PolarHBondContact O-N 3.17Å; I280-V283 PolarHBondContact O-N 3.06Å; E281-V283 VanDerWaalsContact C-N 3.32Å; E281-V283 PolarHBondContact O-N 3.14Å; V283-A286 PolarHBondContact O-N 3.13Å; V283-K287 WeakPolarHBondContact O-CB 3.41Å; V283-K287 PolarHBondContact O-N 3.49Å
284S76Confident75Confident61 Ų6196.2 Ų96.243%0.42751%0.514SS..Hα-helixtrans-65-41.3176.575.70000112I280 E281 K287 M288I280-S284 PolarHBondContact O-N 2.83Å; E281-S284 PolarHBondContact O-N 2.8Å; E281-S284 VanDerWaalsContact O-N 3.11Å; E281-S284 PolarHBondContact O-OG 2.86Å; S284-K287 WeakPolarHBondContact O-CB 3.49Å; S284-K287 PolarHBondContact O-N 2.68Å; S284-M288 WeakPolarHBondContact O-CG 3.37Å; S284-M288 PolarHBondContact O-N 2.76Å
285E77.9Confident76.4Confident118 Ų11894.8 Ų94.855%0.55150%0.504SS*.Hα-helixtrans-65.7-45.3176.3-170.5-173.5175.200111.1E281 K287 M288 L289E281-E285 WeakPolarHBondContact O-CB 3.46Å; E281-E285 PolarHBondContact O-N 2.82Å; E285-K287 VanDerWaalsContact C-N 3.27Å; E285-K287 PolarHBondContact O-N 2.73Å; E285-M288 WeakPolarHBondContact O-CB 3.46Å; E285-M288 PolarHBondContact O-N 3.01Å; E285-M288 VanDerWaalsContact O-N 3.12Å; E285-L289 HydrophobicContact CG-CD1 4.34Å; E285-L289 WeakPolarHBondContact O-CG 3.4Å; E285-L289 PolarHBondContact O-N 2.91Å
286A78.2Confident77.5Confident58 Ų5895.5 Ų95.548%0.47950%0.501SS..Hα-helixtrans-59.3-38.8175.800000111.9A282 V283 L289 N290A282-A286 VanDerWaalsContact O-CB 3.26Å; A282-A286 WeakPolarHBondContact O-CB 3.26Å; A282-A286 PolarHBondContact O-N 3.38Å; V283-A286 PolarHBondContact O-N 3.13Å; A286-L289 PolarHBondContact O-N 3.31Å; A286-N290 WeakPolarHBondContact O-CB 3.47Å; A286-N290 PolarHBondContact O-N 2.72Å
287K86.8Confident78.4Confident149 Ų14994.6 Ų94.665%0.64849%0.493SS*.Hα-helixtrans-63.9-44.8174.3-172.2178.1179.9-178.50111.2V283 S284 E285 N290 M291V283-K287 WeakPolarHBondContact O-CB 3.41Å; V283-K287 PolarHBondContact O-N 3.49Å; S284-K287 WeakPolarHBondContact O-CB 3.49Å; S284-K287 PolarHBondContact O-N 2.68Å; E285-K287 VanDerWaalsContact C-N 3.27Å; E285-K287 PolarHBondContact O-N 2.73Å; K287-N290 PolarHBondContact O-N 2.92Å; K287-M291 WeakPolarHBondContact O-CG 3.37Å; K287-M291 PolarHBondContact O-N 3.01Å
288M84.6Confident79Confident99 Ų9996.4 Ų96.449%0.48850%0.5SS..Hα-helixtrans-62.1-43.8176.3-72-62.4-70.200112.3P264 S284 E285 N290 M291 S292P264-M288 HydrophobicContact CG-CE 4.19Å; P264-M288 HydrophobicContact CG-SD 3.71Å; S284-M288 WeakPolarHBondContact O-CG 3.37Å; S284-M288 PolarHBondContact O-N 2.76Å; E285-M288 WeakPolarHBondContact O-CB 3.46Å; E285-M288 PolarHBondContact O-N 3.01Å; E285-M288 VanDerWaalsContact O-N 3.12Å; M288-N290 VanDerWaalsContact C-N 3.34Å; M288-N290 PolarHBondContact O-N 3.48Å; M288-M291 PolarHBondContact O-N 3.35Å; M288-S292 WeakPolarHBondContact O-CB 3.48Å; M288-S292 PolarHBondContact O-N 3.03Å
289L83Confident79.5Confident101 Ų10197 Ų9753%0.52950%0.497SS..Hα-helixtrans-62.7-41176.2-72.3174.6000111.6E285 A286 S292 K293E285-L289 HydrophobicContact CG-CD1 4.34Å; E285-L289 WeakPolarHBondContact O-CG 3.4Å; E285-L289 PolarHBondContact O-N 2.91Å; A286-L289 PolarHBondContact O-N 3.31Å; L289-S292 PolarHBondContact O-N 3.46Å; L289-S292 PolarHBondContact O-OG 2.72Å; L289-K293 WeakPolarHBondContact O-CB 3.47Å; L289-K293 PolarHBondContact O-N 3.31Å
290N86.9Confident79.4Confident86 Ų8697.1 Ų97.146%0.4650%0.497SS..Hα-helixtrans-64.6-43177-165.329.5000112.3A286 K287 M288 S292 K293 Q294A286-N290 WeakPolarHBondContact O-CB 3.47Å; A286-N290 PolarHBondContact O-N 2.72Å; K287-N290 PolarHBondContact O-N 2.92Å; M288-N290 VanDerWaalsContact C-N 3.34Å; M288-N290 PolarHBondContact O-N 3.48Å; N290-S292 VanDerWaalsContact C-N 3.35Å; N290-S292 PolarHBondContact O-N 2.75Å; N290-K293 WeakPolarHBondContact O-CB 3.46Å; N290-K293 PolarHBondContact O-N 3.01Å; N290-Q294 WeakPolarHBondContact O-CG 3.4Å; N290-Q294 PolarHBondContact O-N 2.76Å
291M84.2Confident79.2Confident70 Ų7099.8 Ų99.835%0.34551%0.512SS..Hα-helixtrans-61.3-42.9173.7-70-61.4-6600111.8W260 K287 M288 K293 Q294 Q295W260-M291 HydrophobicContact CH2-CE 4.48Å; W260-M291 HydrophobicContact CZ3-CE 3.98Å; K287-M291 WeakPolarHBondContact O-CG 3.37Å; K287-M291 PolarHBondContact O-N 3.01Å; M288-M291 PolarHBondContact O-N 3.35Å; M291-K293 VanDerWaalsContact C-N 3.34Å; M291-K293 PolarHBondContact O-N 2.87Å; M291-Q294 PolarHBondContact O-N 3.46Å; M291-Q295 WeakPolarHBondContact O-CG 3.41Å; M291-Q295 PolarHBondContact O-N 3.02Å
292S84.8Confident78.2Confident50 Ų5099.1 Ų99.135%0.3551%0.512SS..Hα-helixtrans-63.1-40177.281.10000112.4M288 L289 N290 Q295 L296M288-S292 WeakPolarHBondContact O-CB 3.48Å; M288-S292 PolarHBondContact O-N 3.03Å; L289-S292 PolarHBondContact O-N 3.46Å; L289-S292 PolarHBondContact O-OG 2.72Å; N290-S292 VanDerWaalsContact C-N 3.35Å; N290-S292 PolarHBondContact O-N 2.75Å; S292-Q295 PolarHBondContact O-N 3.25Å; S292-L296 WeakPolarHBondContact O-CG 3.43Å; S292-L296 PolarHBondContact O-N 3.23Å
293K88.2Confident77Confident115 Ų115105.7 Ų105.750%0.553%0.526SS..Hα-helixtrans-61.8-48.1176178.1-174.3168.2-172.30110.7L289 N290 M291 Q295 L296 E297L289-K293 WeakPolarHBondContact O-CB 3.47Å; L289-K293 PolarHBondContact O-N 3.31Å; N290-K293 WeakPolarHBondContact O-CB 3.46Å; N290-K293 PolarHBondContact O-N 3.01Å; M291-K293 VanDerWaalsContact C-N 3.34Å; M291-K293 PolarHBondContact O-N 2.87Å; K293-Q295 VanDerWaalsContact C-N 3.34Å; K293-Q295 PolarHBondContact O-N 3.32Å; K293-L296 PolarHBondContact O-N 3.37Å; K293-E297 WeakPolarHBondContact CE-OE1 3.35Å; K293-E297 IonicContact NZ-OE1 3.94Å; K293-E297 WeakPolarHBondContact O-CG 3.46Å; K293-E297 PolarHBondContact O-N 3.29Å
294Q79.5Confident75.6Confident80 Ų80107.6 Ų107.637%0.37454%0.54SS..Hα-helixtrans-61.8-39.6177.3-71.2-178.12.300112.4N290 M291 E297 M298N290-Q294 WeakPolarHBondContact O-CG 3.4Å; N290-Q294 PolarHBondContact O-N 2.76Å; M291-Q294 PolarHBondContact O-N 3.46Å; Q294-E297 PolarHBondContact O-N 2.97Å; Q294-M298 WeakPolarHBondContact O-CG 3.09Å; Q294-M298 PolarHBondContact O-N 3.35Å
295Q81Confident74.1Confident90 Ų90107.4 Ų107.442%0.42155%0.548SS..Hα-helixtrans-63.9-40.4174.2-73.2-176.55.300112.7M291 S292 K293 M298 R299M291-Q295 WeakPolarHBondContact O-CG 3.41Å; M291-Q295 PolarHBondContact O-N 3.02Å; S292-Q295 PolarHBondContact O-N 3.25Å; K293-Q295 VanDerWaalsContact C-N 3.34Å; K293-Q295 PolarHBondContact O-N 3.32Å; Q295-M298 HydrophobicContact CG-CE 4.31Å; Q295-M298 PolarHBondContact O-N 2.99Å; Q295-R299 WeakPolarHBondContact O-CG 3.41Å; Q295-R299 PolarHBondContact O-N 3.05Å
296L77.3Confident72.2Confident99 Ų99106 Ų10652%0.51855%0.551SS.*Hα-helixtrans-65.7-41.9174.9-74.1171.6000111.5S292 K293 R299 L300S292-L296 WeakPolarHBondContact O-CG 3.43Å; S292-L296 PolarHBondContact O-N 3.23Å; K293-L296 PolarHBondContact O-N 3.37Å; L296-R299 PolarHBondContact O-N 3.19Å; L296-L300 WeakPolarHBondContact O-CB 3.42Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.48Å; L296-L300 PolarHBondContact O-N 3.46Å
297E81.7Confident70.1Confident89 Ų89112.7 Ų112.742%0.41657%0.569SS.*Hα-helixtrans-61.6-42.9174.8-74.2176.2-179.300111.6K293 Q294 R299 L300 N301K293-E297 WeakPolarHBondContact CE-OE1 3.35Å; K293-E297 IonicContact NZ-OE1 3.94Å; K293-E297 WeakPolarHBondContact O-CG 3.46Å; K293-E297 PolarHBondContact O-N 3.29Å; Q294-E297 PolarHBondContact O-N 2.97Å; E297-R299 PolarHBondContact O-N 3.02Å; E297-L300 PolarHBondContact O-N 2.87Å; E297-N301 VanDerWaalsContact O-CB 3.29Å; E297-N301 WeakPolarHBondContact O-CB 3.41Å; E297-N301 PolarHBondContact O-N 2.89Å; E297-N301 PolarHBondContact O-ND2 3.19Å; E297-N301 VanDerWaalsContact O-ND2 3.1Å
298M74.2Confident67.4Low108 Ų108110.9 Ų110.953%0.53258%0.576SS.*Hα-helixtrans-59.7-44.6172.7-76.1-166.6-66.900112Q294 Q295 N301 I302Q294-M298 WeakPolarHBondContact O-CG 3.09Å; Q294-M298 PolarHBondContact O-N 3.35Å; Q295-M298 HydrophobicContact CG-CE 4.31Å; Q295-M298 PolarHBondContact O-N 2.99Å; M298-N301 PolarHBondContact O-N 2.75Å; M298-I302 WeakPolarHBondContact O-CG1 3.36Å; M298-I302 PolarHBondContact O-N 3.43Å
299R74.5Confident65Low166 Ų166114.3 Ų114.363%0.62659%0.594SS**Hα-helixtrans-65.6-37.8177.5-73.9-175.9178.1120.8-0.6112.7Q295 L296 E297 I302Q295-R299 WeakPolarHBondContact O-CG 3.41Å; Q295-R299 PolarHBondContact O-N 3.05Å; L296-R299 PolarHBondContact O-N 3.19Å; E297-R299 PolarHBondContact O-N 3.02Å; R299-I302 PolarHBondContact O-N 3.03Å
300L72.1Confident62.3Low137 Ų137114.6 Ų114.672%0.71761%0.605SS**Hα-helixtrans-71.9-34.7177.5-73.3168.8000112.2L296 E297 I302L296-L300 WeakPolarHBondContact O-CB 3.42Å; L296-L300 VanDerWaalsContact O-CG 3.28Å; L296-L300 WeakPolarHBondContact O-CG 3.48Å; L296-L300 PolarHBondContact O-N 3.46Å; E297-L300 PolarHBondContact O-N 2.87Å; L300-I302 PolarHBondContact O-N 3.35Å
301N66.9Low59.7Low130 Ų130115.6 Ų115.670%0.69562%0.619SS**Hα-helixtrans-71-15.4174.6-71.2-29.7000112.7E297 M298 R303E297-N301 VanDerWaalsContact O-CB 3.29Å; E297-N301 WeakPolarHBondContact O-CB 3.41Å; E297-N301 PolarHBondContact O-N 2.89Å; E297-N301 PolarHBondContact O-ND2 3.19Å; E297-N301 VanDerWaalsContact O-ND2 3.1Å; M298-N301 PolarHBondContact O-N 2.75Å; N301-R303 PolarHBondContact O-N 2.86Å
302I53.3Low56.8Low122 Ų122117.9 Ų117.963%0.62664%0.641SS**SBendtrans-76.973.5162.8-55.9163.7000107.6M298 R299 L300 P304M298-I302 WeakPolarHBondContact O-CG1 3.36Å; M298-I302 PolarHBondContact O-N 3.43Å; R299-I302 PolarHBondContact O-N 3.03Å; L300-I302 PolarHBondContact O-N 3.35Å; I302-P304 WeakPolarHBondContact O-CD 3.44Å
303R48Very low54.1Low188 Ų188126.3 Ų126.371%0.70967%0.665SS**  trans-56.9124.9168-175.6169-175.4166.40.8107.7N301 G305 S306N301-R303 PolarHBondContact O-N 2.86Å; R303-G305 PolarHBondContact O-N 2.75Å; R303-S306 PolarHBondContact O-N 2.85Å
304P48.8Very low51.2Low143 Ų143126.5 Ų126.593%0.92968%0.677SS**THydrogen-bonded Turntrans-67.531.5177.9-2032.6000115I302I302-P304 WeakPolarHBondContact O-CD 3.44Å
305G43.5Very low48.6Very low58 Ų58130.8 Ų130.860%0.59870%0.697SS**THydrogen-bonded Turntrans-158.23-175.800000115.9R303 K307R303-G305 PolarHBondContact O-N 2.75Å; G305-K307 PolarHBondContact O-N 3.21Å
306S38.7Very low45.9Very low89 Ų89132.1 Ų132.162%0.62271%0.711SS**  trans-85.4102.5170.750.60000109.7R303R303-S306 PolarHBondContact O-N 2.85Å
307K33.9Very low43.6Very low197 Ų197135.6 Ų135.686%0.85773%0.73SS**  trans-59.5146.5174.7-67.1174177.9177.30111.6G305G305-K307 PolarHBondContact O-N 3.21Å
308S29.8Very low41Very low112 Ų112136.3 Ų136.378%0.78375%0.745SS**  trans6189.3159.672.40000118.4
309I35.2Very low38.7Very low171 Ų171141.8 Ų141.888%0.87776%0.76SS**  trans-99.5116.4131.1-62.8172.4000104.9S311I309-S311 PolarHBondContact O-N 3.44Å
310S26.4Very low36.6Very low106 Ų106141.8 Ų141.874%0.74177%0.767SS**  trans-59.8107-179.858.90000109.9S312S310-S312 PolarHBondContact O-N 3.31Å
311S30.9Very low34.5Very low108 Ų108143 Ų14376%0.75577%0.774SS**  trans-84.397163.5-177.20000108.3I309 R313I309-S311 PolarHBondContact O-N 3.44Å; S311-R313 VanDerWaalsContact C-N 3.33Å; S311-R313 PolarHBondContact O-N 3.41Å
312S23.8Very low32.9Very low117 Ų117143.4 Ų143.482%0.81878%0.775SS**  trans-57.694151.136.40000109.5S310S310-S312 PolarHBondContact O-N 3.31Å
313R29.4Very low31.7Very low227 Ų227144 Ų14486%0.85778%0.78SS**  trans-159.5130.1148.4-141.2167.8174.9178.8-3.2113.1S311S311-R313 VanDerWaalsContact C-N 3.33Å; S311-R313 PolarHBondContact O-N 3.41Å
314T27.2Very low30.9Very low120 Ų120143.7 Ų143.774%0.73678%0.778SS**  trans-60.9155.2177.822.40000115.3
315Q23.7Very low30.1Very low170 Ų170143.1 Ų143.179%0.79477%0.768SS**  trans66.2101.6146.8-83.4178.1-17.300120.6
316T24.7Very low29.7Very low118 Ų118149 Ų14972%0.72477%0.773SS**  22.9111.8114.362.20000117.7
317N28.6Very low29.4Very low171 Ų171152.3 Ų152.391%0.91478%0.783SS**  -124.8129.4129.9-83.2-38.9000108.1
318S27.7Very low29.3Very low104 Ų104148.8 Ų148.873%0.72778%0.778SS**  trans-84.6160.6-172.951.30000111.9
319R25.5Very low29.5Very low224 Ų224149.2 Ų149.285%0.84578%0.778SS**  trans102.9125.9153.2-73.6-174.9159.2167.1-6.3118.9
320E30Very low29.7Very low165 Ų165150.3 Ų150.377%0.77178%0.777SS**  trans94.676.9152.2-70.6165.2-152.800118.4L322E320-L322 PolarHBondContact O-N 3.05Å
321N28.5Very low30.4Very low164 Ų164153.7 Ų153.788%0.87778%0.778SS**  -2.291.7128-71.4-34000115.4
322L33.8Very low30.6Very low137 Ų137155.6 Ų155.672%0.71778%0.775SS**  trans-114.788144.7-72.1179.6000107.8E320 R324E320-L322 PolarHBondContact O-N 3.05Å; L322-R324 HydrophobicContact CB-CG 4.45Å; L322-R324 PolarHBondContact O-N 3.24Å
323N28.3Very low31.4Very low134 Ų134157.2 Ų157.272%0.71777%0.768SS**  trans-58.484155.7-175.24.6000107.9N325N323-N325 PolarHBondContact OD1-ND2 3.25Å; N323-N325 VanDerWaalsContact OD1-ND2 3.1Å
324R30.3Very low32.2Very low182 Ų182150.2 Ų150.269%0.68775%0.751SS**  trans-109.874.2168.7-79.8-161.7179.4-170.83.5108.4L322 Y326L322-R324 HydrophobicContact CB-CG 4.45Å; L322-R324 PolarHBondContact O-N 3.24Å; R324-Y326 HydrophobicContact CB-CD2 3.83Å; R324-Y326 HydrophobicContact CB-CE2 4.17Å; R324-Y326 HydrophobicContact CG-CD2 3.91Å; R324-Y326 HydrophobicContact CG-CE2 3.76Å; R324-Y326 PolarHBondContact O-N 3.49Å
325N31.5Very low32.6Very low131 Ų131151.7 Ų151.770%0.70175%0.749SS**  trans-6180.9149.7-72.3-38.8000108.7N323N323-N325 PolarHBondContact OD1-ND2 3.25Å; N323-N325 VanDerWaalsContact OD1-ND2 3.1Å
326Y34.9Very low33.7Very low181 Ų181148.1 Ų148.171%0.7174%0.738SS**  trans-113.987.4160.8-70.4-70.1000108R324 T328R324-Y326 HydrophobicContact CB-CD2 3.83Å; R324-Y326 HydrophobicContact CB-CE2 4.17Å; R324-Y326 HydrophobicContact CG-CD2 3.91Å; R324-Y326 HydrophobicContact CG-CE2 3.76Å; R324-Y326 PolarHBondContact O-N 3.49Å; Y326-T328 PolarHBondContact O-N 2.82Å
327L33.9Very low34.5Very low160 Ų160150.7 Ų150.784%0.83874%0.736SS**  trans14.4100.2139.1-69149.6000113.4
328T32.2Very low35.2Very low123 Ų123149.5 Ų149.576%0.75573%0.73SS**  trans-51.1133.7155.542.90000108Y326 K330Y326-T328 PolarHBondContact O-N 2.82Å; T328-K330 PolarHBondContact O-N 3.35Å
329P33.5Very low35.3Very low121 Ų121147.7 Ų147.779%0.78673%0.727SS**  trans-58.4110.5178.2-16.227.4000107.9F331P329-F331 PolarHBondContact O-N 3.12Å
330K38.7Very low35.8Very low194 Ų194142.9 Ų142.984%0.84372%0.718SS**  trans-63.3108165.2-96.6-179.6173.1179.70105.7T328 E332T328-K330 PolarHBondContact O-N 3.35Å; K330-E332 VanDerWaalsContact C-N 3.27Å; K330-E332 PolarHBondContact O-N 3.4Å
331F41.5Very low35.8Very low177 Ų177145.1 Ų145.178%0.77673%0.725SS**  trans-66.592170.1-142-92.8000106.9P329P329-F331 PolarHBondContact O-N 3.12Å
332E34.2Very low36.3Very low147 Ų147143.1 Ų143.169%0.68772%0.719SS**  trans-83.5120.1178.5-148.3168.9-147.400107.7K330 T334K330-E332 VanDerWaalsContact C-N 3.27Å; K330-E332 PolarHBondContact O-N 3.4Å; E332-T334 HydrophobicContact CG-CG2 4.17Å; E332-T334 PolarHBondContact O-N 3.18Å; E332-T334 PolarHBondContact O-OG1 3.32Å
333F42.3Very low36.2Very low151 Ų151140.8 Ų140.866%0.66271%0.714SS**G310 helixtrans-75.336.6-180-72.4-82.3000112.4H335 V336F333-H335 VanDerWaalsContact C-N 3.27Å; F333-H335 PolarHBondContact O-N 3.46Å; F333-V336 HydrophobicContact CB-CG2 4.46Å; F333-V336 HydrophobicContact CD1-CG2 3.8Å
334T44.9Very low37Very low81 Ų81140.4 Ų140.450%0.49772%0.719SS.*G310 helixtrans-70.5-23.1178.7310000112.5E332E332-T334 HydrophobicContact CG-CG2 4.17Å; E332-T334 PolarHBondContact O-N 3.18Å; E332-T334 PolarHBondContact O-OG1 3.32Å
335H36.2Very low37.3Very low150 Ų150139.2 Ų139.269%0.69473%0.726SS**G310 helixtrans-95.9-0.4-175.9-57.6-60.9000115.6F333 Y337F333-H335 VanDerWaalsContact C-N 3.27Å; F333-H335 PolarHBondContact O-N 3.46Å; H335-Y337 VanDerWaalsContact C-N 3.27Å; H335-Y337 PolarHBondContact O-N 2.96Å
336V46.4Very low37.3Very low95 Ų95136.2 Ų136.258%0.57672%0.72SS**SBendtrans-75.7-17.6179.8-178.40000112.4F333F333-V336 HydrophobicContact CB-CG2 4.46Å; F333-V336 HydrophobicContact CD1-CG2 3.8Å
337Y40.7Very low37.2Very low172 Ų172136.9 Ų136.968%0.67573%0.726SS**SBendtrans-110.40.7-173.2-69.1-77.6000115.7H335 G339 L340H335-Y337 VanDerWaalsContact C-N 3.27Å; H335-Y337 PolarHBondContact O-N 2.96Å; Y337-G339 PolarHBondContact O-N 3.31Å; Y337-L340 HydrophobicContact CD1-CD1 4.1Å; Y337-L340 HydrophobicContact CE1-CD1 4.49Å; Y337-L340 PolarHBondContact O-N 2.86Å
338D44.5Very low37.1Very low146 Ų146135.2 Ų135.278%0.78173%0.725SS**THydrogen-bonded Turntrans-68.9-4.1178-93.8-15.7000114.3
339G30.6Very low37.1Very low66 Ų66134.4 Ų134.468%0.6873%0.725SS**THydrogen-bonded Turntrans-96-15.1179.400000115.9Y337 K341Y337-G339 PolarHBondContact O-N 3.31Å; G339-K341 PolarHBondContact O-N 3.08Å; G339-K341 VanDerWaalsContact O-N 3.13Å
340L34.9Very low37Very low123 Ų123133.9 Ų133.964%0.64472%0.724SS**  trans-86.993.6-175.5-74.9171.2000110.1Y337 T342Y337-L340 HydrophobicContact CD1-CD1 4.1Å; Y337-L340 HydrophobicContact CE1-CD1 4.49Å; Y337-L340 PolarHBondContact O-N 2.86Å; L340-T342 PolarHBondContact O-N 3.32Å
341K30.2Very low36.4Very low212 Ų212131.9 Ų131.992%0.92272%0.722SS**  trans-6180.8165.1-68.4-167.6177-174.80109.9G339 S343G339-K341 PolarHBondContact O-N 3.08Å; G339-K341 VanDerWaalsContact O-N 3.13Å; K341-S343 PolarHBondContact O-N 2.84Å
342T38.8Very low35.8Very low122 Ų122132.3 Ų132.375%0.74872%0.724SS**  trans-84.1110.4167.8510000108.1L340L340-T342 PolarHBondContact O-N 3.32Å
343S32.2Very low35.6Very low88 Ų88130 Ų13062%0.61572%0.724SS**  trans-60.5145.4174.466.50000110.5K341 N345K341-S343 PolarHBondContact O-N 2.84Å; S343-N345 PolarHBondContact O-N 3.23Å
344P44.9Very low34.9Very low127 Ų127133 Ų13383%0.82574%0.737SS**THydrogen-bonded Turntrans-68.94.2-164.7-18.731.9000117.4
345N36.4Very low34.1Very low156 Ų156133.9 Ų133.983%0.83475%0.746SS**THydrogen-bonded Turntrans-113.17-168.3-72.2-4.6000115.5S343S343-N345 PolarHBondContact O-N 3.23Å
346A31.3Very low33.6Very low68 Ų68136.3 Ų136.356%0.56276%0.755SS**SBendtrans-105.6111.5171.600000109.6
347F33Very low32.8Very low195 Ų195139.8 Ų139.886%0.85577%0.769SS**  trans8688.4178.7-53.7-74.1000116.4S349F347-S349 PolarHBondContact O-N 3.41Å; F347-S349 VanDerWaalsContact O-N 3.17Å
348P32.4Very low32.2Very low125 Ų125139.7 Ų139.781%0.81278%0.78SS**  trans-60.7117.8155.826.2-31.4000108.5S350P348-S350 PolarHBondContact O-N 2.85Å
349S31.3Very low31.2Very low107 Ų107141 Ų14175%0.74878%0.781SS**  trans-56.7103.6175.161.30000110.3F347 N351F347-S349 PolarHBondContact O-N 3.41Å; F347-S349 VanDerWaalsContact O-N 3.17Å; S349-N351 PolarHBondContact O-N 3.47Å
350S31Very low30.8Very low109 Ų109145.6 Ų145.676%0.76279%0.79SS**  trans-80.956.3169.361.40000110.5P348 K352P348-S350 PolarHBondContact O-N 2.85Å; S350-K352 PolarHBondContact O-N 3.22Å; S350-K352 VanDerWaalsContact O-N 3.08Å
351N26.3Very low30.3Very low152 Ų152143.8 Ų143.881%0.81379%0.787SS**  trans-78.969.5156.9-89.6-21.6000107.7S349S349-N351 PolarHBondContact O-N 3.47Å
352K29.2Very low30.1Very low187 Ų187142.4 Ų142.481%0.81378%0.784SS**  trans-93.998.6161.6-78.5-176.1-179.7177.60106.9S350 F354S350-K352 PolarHBondContact O-N 3.22Å; S350-K352 VanDerWaalsContact O-N 3.08Å; K352-F354 PolarHBondContact O-N 3.1Å
353S29.1Very low29.5Very low99 Ų99142.2 Ų142.269%0.69279%0.788SS**  trans-49.2116.4171.9-40.40000110.3S355S353-S355 PolarHBondContact O-N 3.41Å
354F27.8Very low29.1Very low214 Ų214145.9 Ų145.994%0.93980%0.8SS**  trans-72.367.2158.7-79.7-88.1000108.7K352K352-F354 PolarHBondContact O-N 3.1Å
355S28.1Very low28.2Very low98 Ų98148.1 Ų148.169%0.68581%0.805SS**  trans-109.261.6163.761.40000107.9S353S353-S355 PolarHBondContact O-N 3.41Å
356K26.6Very low27.4Very low201 Ų201147.4 Ų147.487%0.87480%0.8SS**  trans-143.929.3171-86.5-162.6179.8-177.50113.2
357L29.1Very low27Very low168 Ų168151.1 Ų151.188%0.8881%0.81SS**SBendtrans-109.75.4169.2-130.3104000114.7
358L27.8Very low26.5Very low170 Ų170148.4 Ų148.489%0.8981%0.81SS**SBendtrans-127.515.3-177.1-78.9167.8000115.4
359H23.7Very low26.1Very low175 Ų175146 Ų14681%0.8181%0.808SS**  trans-122.985.8168-96.8-72.5000110.3
360N23.7Very low25.9Very low162 Ų162148.1 Ų148.187%0.86681%0.811SS**  trans-16895.2133.7-96.4-7000108.6
361S23.8Very low25.7Very low84 Ų84150.5 Ų150.559%0.58782%0.815SS**  trans-62.4155145.237.50000109.8
362H26.3Very low25.9Very low183 Ų183149.6 Ų149.685%0.84782%0.815SS**  trans88.579166.2-44.7-70.5000118.2
363S26.5Very low25.8Very low119 Ų119148.2 Ų148.283%0.83282%0.816SS**  trans-136106.7138.160.20000109.3L365S363-L365 PolarHBondContact O-N 2.65Å
364N22.2Very low25.6Very low164 Ų164147.1 Ų147.188%0.87782%0.82SS**  trans-52.8120.1168.2-76.6-49.2000110.7
365L26.3Very low25.7Very low175 Ų175145.2 Ų145.292%0.91682%0.819SS**  trans-151.7110.1141.9-84.3-174.6000109.4S363S363-L365 PolarHBondContact O-N 2.65Å
366N20.8Very low25.6Very low140 Ų140150 Ų15075%0.74983%0.83SS**  trans-8.8130.4168.4-80.8-23.2000121.5
367L21.9Very low25.7Very low146 Ų146145.2 Ų145.276%0.76482%0.822SS**  39.1119.8118.1-57.3167.1000116.7
368T23.1Very low25.5Very low139 Ų139142.7 Ų142.785%0.85382%0.818SS**  -177.3150.563.536.10000107.5
369G24.4Very low25.5Very low74 Ų74139.4 Ų139.476%0.76381%0.805SS**  trans143.180.117200000112.6D371G369-D371 PolarHBondContact O-N 3.07Å
370D26Very low25.5Very low152 Ų152137 Ų13781%0.81381%0.807SS**  trans-53.2119166.5-62.4-54.8000110.2
371D28Very low25.7Very low158 Ų158138.7 Ų138.785%0.84580%0.802SS**  trans-166.974.8142-93.9-24.3000109G369 N373G369-D371 PolarHBondContact O-N 3.07Å; D371-N373 PolarHBondContact O-N 2.9Å
372V29.1Very low25.7Very low134 Ų134140.5 Ų140.581%0.81282%0.815SS**  trans-74.3100.6165.9-173.70000107.2
373N27.6Very low25.6Very low158 Ų158138.2 Ų138.285%0.84581%0.813SS**  trans-151.999.2160.7-89-36.8000112.1D371D371-N373 PolarHBondContact O-N 2.9Å
374G25.7Very low25.6Very low75 Ų75138.4 Ų138.477%0.77381%0.812SS**  trans94.644.2133.800000119.9
375L29.2Very low25.7Very low174 Ų174134.2 Ų134.291%0.91181%0.807SS**  trans-96.886.9155.8-98.384.3000110.3S377L375-S377 PolarHBondContact O-N 2.78Å
376Q25.6Very low25.7Very low199 Ų199131.4 Ų131.493%0.9380%0.802SS**  trans-84.491.6156.7-77.9-164.74.300108.3S378Q376-S378 PolarHBondContact O-N 3.22Å
377S28.8Very low26Very low101 Ų101130.1 Ų130.171%0.70680%0.801SS**  trans-79.6112.7164.465.80000108.8L375 V379L375-S377 PolarHBondContact O-N 2.78Å; S377-V379 PolarHBondContact O-N 3.43Å
378S24.8Very low26.3Very low114 Ų114130.6 Ų130.680%0.79781%0.805SS**  trans-64.4117.6175.647.30000111Q376 C380Q376-S378 PolarHBondContact O-N 3.22Å; S378-C380 PolarHBondContact O-N 3.06Å
379V27.7Very low26.6Very low101 Ų101130.2 Ų130.261%0.61280%0.796SS**  trans-73.5115.4173.5174.70000108.7S377 Y381S377-V379 PolarHBondContact O-N 3.43Å; V379-Y381 HydrophobicContact CB-CE2 4.2Å; V379-Y381 HydrophobicContact CG1-CD2 4.14Å; V379-Y381 HydrophobicContact CG1-CE2 3.89Å; V379-Y381 PolarHBondContact O-N 3.01Å
380C24.2Very low26.6Very low124 Ų124132.8 Ų132.884%0.83879%0.792SS**  trans-79.1106.9167.5-72.60000109.2S378S378-C380 PolarHBondContact O-N 3.06Å
381Y27.2Very low26.7Very low199 Ų199130.9 Ų130.978%0.7879%0.791SS**PPolyproline II helixtrans-74.2128170.8-69.6-92.6000110.2V379V379-Y381 HydrophobicContact CB-CE2 4.2Å; V379-Y381 HydrophobicContact CG1-CD2 4.14Å; V379-Y381 HydrophobicContact CG1-CE2 3.89Å; V379-Y381 PolarHBondContact O-N 3.01Å
382S24.4Very low26.7Very low121 Ų121131.5 Ų131.585%0.84679%0.786SS**PPolyproline II helixtrans-86.6127.7163.2-66.20000109.2
383V25Very low26.6Very low135 Ų135135.8 Ų135.882%0.81879%0.79SS**PPolyproline II helixtrans-70.2140.6-173.5176.20000111.1
384P25.7Very low26.6Very low124 Ų124133.6 Ų133.681%0.80579%0.786SS**SBendtrans-72.9137.5-174.6-7.625.3000111.7
385G24.3Very low26.6Very low75 Ų75137.1 Ų137.177%0.77378%0.782SS**  trans169.611174.800000117.8
386S26.6Very low26.4Very low117 Ų117135.8 Ų135.882%0.81878%0.775SS**SBendtrans-114.3124.7171.2-61.10000110N388S386-N388 PolarHBondContact O-N 3.37Å
387P27.7Very low26.3Very low112 Ų112133.2 Ų133.273%0.72777%0.766SS**  trans-76.9116.3-162.5-9.127.2000111.3I389P387-I389 HydrophobicContact CB-CD1 4.04Å; P387-I389 HydrophobicContact CB-CG1 3.95Å; P387-I389 PolarHBondContact O-N 2.91Å
388N26.7Very low26Very low157 Ų157138.4 Ų138.484%0.8477%0.771SS**  trans-79.289167.8-172.6-4.9000108.1S386S386-N388 PolarHBondContact O-N 3.37Å
389I29.1Very low25.9Very low130 Ų130140.2 Ų140.267%0.66777%0.766SS**  trans-97.5106.3179-59.7171.3000108.7P387P387-I389 HydrophobicContact CB-CD1 4.04Å; P387-I389 HydrophobicContact CB-CG1 3.95Å; P387-I389 PolarHBondContact O-N 2.91Å
390N26.3Very low25.8Very low128 Ų128141.4 Ų141.468%0.68478%0.779SS**  trans94.873.3151-60.1-10.7000119K392N390-K392 PolarHBondContact O-N 3.36Å; N390-K392 VanDerWaalsContact O-N 3.14Å
391S27.4Very low25.7Very low112 Ų112142.5 Ų142.578%0.78378%0.777SS**  -45.692.5124.848.40000113.1
392K28.7Very low25.5Very low171 Ų171138.4 Ų138.474%0.74378%0.777SS**  trans-148.434.5159.1-93.7-157.1-174.3177.40114.8N390N390-K392 PolarHBondContact O-N 3.36Å; N390-K392 VanDerWaalsContact O-N 3.14Å
393Y27.1Very low25.5Very low225 Ų225137.3 Ų137.388%0.88277%0.77SS**  trans-141.375.4160.6-72.8-74.2000111.2
394S25.8Very low25.4Very low111 Ų111139.5 Ų139.578%0.77677%0.771SS**  trans-100.880.716655.40000109.2
395H25.6Very low25.4Very low149 Ų149141.9 Ų141.969%0.6977%0.769SS**  trans170.6109.2155.149.8-74.6000107.2
396L25.2Very low25.5Very low146 Ų146145.4 Ų145.476%0.76477%0.77SS**  trans171.6105.3139.5-87.4161.5000108.2
397I24.9Very low25.4Very low145 Ų145146 Ų14674%0.74476%0.764SS**  trans78.397.7140.4-52.5167.3000115.2
398R21.5Very low25.3Very low211 Ų211144.1 Ų144.180%0.79677%0.765SS**  69.710569.8-164.1-179.6-171.6-164.55.6113.4
399Q23.5Very low25.2Very low151 Ų151144 Ų14471%0.70676%0.763SS**  trans37.6121.1142.2-61.6173-37.800119.3
400S24.3Very low25.3Very low126 Ų126146.4 Ų146.488%0.88177%0.771SS**  trans-155.8138.9132.9-74.70000109.8
401N22.6Very low25.2Very low148 Ų148148 Ų14879%0.79177%0.774SS**  trans-86.5167.7-164.8-62.4-41.7000113.6
402S23.3Very low25.2Very low112 Ų112149.7 Ų149.778%0.78377%0.773SS**  129.5146.8118.668.20000117.7
403S24.8Very low25.3Very low99 Ų99148.5 Ų148.569%0.69277%0.774SS**  trans74.1108.1169.666.40000117.1
404E22.9Very low25.1Very low181 Ų181144.6 Ų144.685%0.84677%0.769SS**  103.9100.765.1-90.3168.7170.800109
405F24.5Very low25.3Very low173 Ų173145.3 Ų145.376%0.75977%0.771SS**  66.5118.587.7-105.4-82.3000116.3
406N27Very low25.5Very low149 Ų149144.5 Ų144.580%0.79778%0.776SS**  trans158.496.8142.7-81.4-27.3000108
407D24.7Very low25.7Very low129 Ų129141.2 Ų141.269%0.6977%0.77SS**  66.4117.282.1-77.8-26.6000115
408G24.6Very low25.9Very low73 Ų73141 Ų14175%0.75377%0.77SS**  trans178.550.417900000112.3
409I25.2Very low26.3Very low154 Ų154137.2 Ų137.279%0.7977%0.765SS**  trans-92113.8174.6-62.6170.1000108
410H31Very low27Very low182 Ų182135.9 Ų135.984%0.84376%0.763SS**  trans-125.2102164.6-82-70.1000111.2
411H25.8Very low27.5Very low161 Ų161136.8 Ų136.875%0.74576%0.758SS**  trans50.598.7142.9-88.2-73000121.2
412I27.4Very low28.2Very low147 Ų147134 Ų13475%0.75474%0.742SS**  trans-71.2118.8153.8-65.3160.3000108.6
413N30.2Very low29.1Very low146 Ų146133.7 Ų133.778%0.78173%0.732SS**  trans-92.4111165.7-77.1-19.8000109P415N413-P415 WeakPolarHBondContact O-CD 3.5Å
414N22.4Very low30Very low144 Ų144135.8 Ų135.877%0.7774%0.736SS**PPolyproline II helixtrans-68.1128.2170.9-77-33.6000111.4
415P30.5Very low31Very low125 Ų125136.2 Ų136.281%0.81273%0.73SS**PPolyproline II helixtrans-101.9117.1150.431-18.6000109.6N413N413-P415 WeakPolarHBondContact O-CD 3.5Å
416T30Very low32.1Very low132 Ų132131.9 Ų131.981%0.8171%0.714SS**PPolyproline II helixtrans-54.4138.6174.2-32.90000112.6
417A28.3Very low33.1Very low77 Ų77129.5 Ų129.564%0.63670%0.702SS**  trans50.998.614700000120
418I29.8Very low34.2Very low142 Ų142130.1 Ų130.173%0.72870%0.7SS**  53.496.8120.1-53.7160.6000116.1N420I418-N420 WeakPolarHBondContact CG2-OD1 3.45Å
419N30.2Very low35.5Very low130 Ų130130.3 Ų130.370%0.69569%0.687SS**  trans-123.699.6148.7-159.1-10.7000108.1N421N419-N421 PolarHBondContact O-N 3.31Å
420N36.9Very low36.7Very low123 Ų123130 Ų13066%0.65868%0.676SS**THydrogen-bonded Turntrans-7133-171.2-76.9-20.9000114.9I418I418-N420 WeakPolarHBondContact CG2-OD1 3.45Å
421N35.3Very low38Very low145 Ų145130.7 Ų130.778%0.77567%0.671SS**THydrogen-bonded Turntrans-116.57.7178.6-82.6-27000114.3N419N419-N421 PolarHBondContact O-N 3.31Å
422N37.2Very low39.5Very low89 Ų89130.2 Ų130.248%0.47667%0.667SS.*  trans-106.12.1-179.3-82.7-27.5000115.6N424 R425 N426N422-N424 PolarHBondContact O-N 3.16Å; N422-N424 VanDerWaalsContact O-N 3.16Å; N422-R425 PolarHBondContact O-N 3Å; N422-N426 PolarHBondContact O-N 2.8Å
423D41.9Very low41.2Very low106 Ų106128.3 Ų128.357%0.56766%0.655SS**Hα-helixtrans-61.7-27.2-177.5-76.8-26.9000113.8
424N44.2Very low42.8Very low144 Ų144129.7 Ų129.777%0.7765%0.649SS**Hα-helixtrans-75.2-25.1176.2-85-15.7000114N422N422-N424 PolarHBondContact O-N 3.16Å; N422-N424 VanDerWaalsContact O-N 3.16Å
425R44.2Very low44.7Very low190 Ų190127.8 Ų127.872%0.71764%0.639SS**Hα-helixtrans-79.6-31.9175.8-76.8-177174.2175.3-1.6111.9N422 N427N422-R425 PolarHBondContact O-N 3Å; R425-N427 PolarHBondContact O-N 2.99Å
426N46.6Very low46.1Very low82 Ų82129.9 Ų129.944%0.43963%0.63SS.*Hα-helixtrans-74.1-23-178.9-71.8-17.6000114N422 T429 R430N422-N426 PolarHBondContact O-N 2.8Å; N426-T429 WeakPolarHBondContact CA-OG1 2.96Å; N426-T429 PolarHBondContact O-OG1 2.58Å; N426-R430 WeakPolarHBondContact O-CB 2.99Å; N426-R430 WeakPolarHBondContact O-CG 3.41Å; N426-R430 PolarHBondContact O-N 2.96Å
427N49.5Very low47.6Very low98 Ų98129.2 Ų129.252%0.52462%0.622SS.*Hα-helixtrans-72.7-30.6177.8-78.2-26.3000113.1R425 R431R425-N427 PolarHBondContact O-N 2.99Å; N427-R431 PolarHBondContact O-N 2.72Å
428Q46.5Very low49.2Very low143 Ų143134.6 Ų134.667%0.66863%0.631SS**Hα-helixtrans-71.2-45.1174.4-87.1-177.2-9.600111.5R431 F432Q428-R431 PolarHBondContact O-N 2.81Å; Q428-F432 VanDerWaalsContact O-CD2 3.27Å; Q428-F432 WeakPolarHBondContact O-CD2 3.41Å; Q428-F432 PolarHBondContact O-N 2.75Å
429T51.9Low50.5Low77 Ų77132.6 Ų132.647%0.47262%0.622SS.*Hα-helixtrans-63.7-42.6177.748.90000111.7N426 R431 F432 E433N426-T429 WeakPolarHBondContact CA-OG1 2.96Å; N426-T429 PolarHBondContact O-OG1 2.58Å; T429-R431 PolarHBondContact O-N 2.72Å; T429-F432 PolarHBondContact O-N 3.45Å; T429-F432 VanDerWaalsContact O-N 3.16Å; T429-E433 PolarHBondContact O-N 2.84Å
430R52.2Low51Low148 Ų148127.8 Ų127.856%0.55860%0.603SS**Hα-helixtrans-61.4-29.1175.4-80.7-177.5170.2-172.1-1.5114.2N426 R434N426-R430 WeakPolarHBondContact O-CB 2.99Å; N426-R430 WeakPolarHBondContact O-CG 3.41Å; N426-R430 PolarHBondContact O-N 2.96Å; R430-R434 WeakPolarHBondContact O-CG 3.48Å; R430-R434 PolarHBondContact O-N 3.08Å
431R56.5Low51.5Low195 Ų195127 Ų12774%0.73660%0.602SS**Hα-helixtrans-69.7-39.1178-158-178.7-173.2-172.72.6111.1N427 Q428 T429 L435N427-R431 PolarHBondContact O-N 2.72Å; Q428-R431 PolarHBondContact O-N 2.81Å; T429-R431 PolarHBondContact O-N 2.72Å; R431-L435 PolarHBondContact O-N 2.84Å
432F59.1Low52Low151 Ų151127.6 Ų127.666%0.66260%0.598SS**Hα-helixtrans-74.2-35.7174.1-71.3-74.3000112.2Q428 T429 L435 R436Q428-F432 VanDerWaalsContact O-CD2 3.27Å; Q428-F432 WeakPolarHBondContact O-CD2 3.41Å; Q428-F432 PolarHBondContact O-N 2.75Å; T429-F432 PolarHBondContact O-N 3.45Å; T429-F432 VanDerWaalsContact O-N 3.16Å; F432-L435 WeakPolarHBondContact O-CB 3.33Å; F432-L435 PolarHBondContact O-N 3.37Å; F432-R436 WeakPolarHBondContact O-CB 3.45Å; F432-R436 PolarHBondContact O-N 3.47Å
433E62.2Low52.1Low108 Ų108130.9 Ų130.951%0.50561%0.609SS.*Hα-helixtrans-61-46.5172.2-77.6178.2157.700111.6T429 L435 R436 D437T429-E433 PolarHBondContact O-N 2.84Å; E433-L435 VanDerWaalsContact C-N 3.26Å; E433-L435 PolarHBondContact O-N 3.13Å; E433-R436 CarbonylContact O-C 3.54Å; E433-R436 WeakPolarHBondContact O-CA 3.31Å; E433-R436 WeakPolarHBondContact O-CB 3.28Å; E433-R436 PolarHBondContact O-N 3.43Å; E433-R436 VanDerWaalsContact O-N 3.08Å; E433-D437 VanDerWaalsContact O-CG 3.24Å; E433-D437 PolarHBondContact O-N 3.42Å
434R64.3Low52.1Low175 Ų175132.8 Ų132.866%0.6662%0.618SS**Hα-helixtrans-60-37.2173.9-76.6-171.7-134.9152.53.1112.8R430 R436 F438R430-R434 WeakPolarHBondContact O-CG 3.48Å; R430-R434 PolarHBondContact O-N 3.08Å; R434-R436 VanDerWaalsContact C-N 3.33Å; R434-F438 VanDerWaalsContact O-CB 3.25Å; R434-F438 WeakPolarHBondContact O-CB 3.4Å; R434-F438 PolarHBondContact O-N 3.05Å
435L61.6Low51.8Low104 Ų104130.3 Ų130.355%0.54561%0.605SS.*Hα-helixtrans-67.2-39.4176.9-153.7101000110.7R431 F432 E433 F438 L439R431-L435 PolarHBondContact O-N 2.84Å; F432-L435 WeakPolarHBondContact O-CB 3.33Å; F432-L435 PolarHBondContact O-N 3.37Å; E433-L435 VanDerWaalsContact C-N 3.26Å; E433-L435 PolarHBondContact O-N 3.13Å; L435-F438 PolarHBondContact O-N 3.06Å; L435-L439 HydrophobicContact CD2-CD1 3.83Å; L435-L439 HydrophobicContact CG-CD1 4.21Å; L435-L439 WeakPolarHBondContact O-CB 3.38Å; L435-L439 WeakPolarHBondContact O-CD1 3.29Å; L435-L439 VanDerWaalsContact O-CG 3.28Å; L435-L439 WeakPolarHBondContact O-CG 3.29Å; L435-L439 PolarHBondContact O-N 3.04Å
436R59Low51.5Low169 Ų169128.6 Ų128.664%0.63861%0.611SS**Hα-helixtrans-66.8-41.8175.5-176.5-177.8162.9-178.9-4.5111.7F432 E433 R434 F438 L439 G440F432-R436 WeakPolarHBondContact O-CB 3.45Å; F432-R436 PolarHBondContact O-N 3.47Å; E433-R436 CarbonylContact O-C 3.54Å; E433-R436 WeakPolarHBondContact O-CA 3.31Å; E433-R436 WeakPolarHBondContact O-CB 3.28Å; E433-R436 PolarHBondContact O-N 3.43Å; E433-R436 VanDerWaalsContact O-N 3.08Å; R434-R436 VanDerWaalsContact C-N 3.33Å; R436-F438 VanDerWaalsContact C-N 3.31Å; R436-F438 PolarHBondContact O-N 3.44Å; R436-L439 PolarHBondContact O-N 3.17Å; R436-G440 CarbonylContact O-C 3.22Å; R436-G440 VanDerWaalsContact O-C 3.22Å; R436-G440 PolarHBondContact O-N 3.26Å
437D62Low51.2Low118 Ų118131.9 Ų131.963%0.63162%0.621SS**Hα-helixtrans-64-38.9173.9-65.5-22.9000111E433 G440E433-D437 VanDerWaalsContact O-CG 3.24Å; E433-D437 PolarHBondContact O-N 3.42Å; D437-G440 PolarHBondContact O-N 3.33Å; D437-G440 VanDerWaalsContact O-N 3.17Å
438F61.7Low50.6Low189 Ų189131 Ų13183%0.82962%0.623SS**Hα-helixtrans-70.9-38.3177.7-166.1-88.5000113R434 L435 R436 G440R434-F438 VanDerWaalsContact O-CB 3.25Å; R434-F438 WeakPolarHBondContact O-CB 3.4Å; R434-F438 PolarHBondContact O-N 3.05Å; L435-F438 PolarHBondContact O-N 3.06Å; R436-F438 VanDerWaalsContact C-N 3.31Å; R436-F438 PolarHBondContact O-N 3.44Å; F438-G440 PolarHBondContact O-N 2.71Å; F438-G440 VanDerWaalsContact O-N 3.16Å
439L57.2Low50.2Low101 Ų101131.6 Ų131.653%0.52963%0.631SS.*THydrogen-bonded Turntrans-68.7-3.3171.5-76.1160.4000112.2L435 R436 F442L435-L439 HydrophobicContact CD2-CD1 3.83Å; L435-L439 HydrophobicContact CG-CD1 4.21Å; L435-L439 WeakPolarHBondContact O-CB 3.38Å; L435-L439 WeakPolarHBondContact O-CD1 3.29Å; L435-L439 VanDerWaalsContact O-CG 3.28Å; L435-L439 WeakPolarHBondContact O-CG 3.29Å; L435-L439 PolarHBondContact O-N 3.04Å; R436-L439 PolarHBondContact O-N 3.17Å; L439-F442 HydrophobicContact CB-CE2 4.12Å
440G41.4Very low49.6Very low29 Ų29132.6 Ų132.630%0.29964%0.637SS.*  trans71.3153-165.700000109.8R436 D437 F438 F442R436-G440 CarbonylContact O-C 3.22Å; R436-G440 VanDerWaalsContact O-C 3.22Å; R436-G440 PolarHBondContact O-N 3.26Å; D437-G440 PolarHBondContact O-N 3.33Å; D437-G440 VanDerWaalsContact O-N 3.17Å; F438-G440 PolarHBondContact O-N 2.71Å; F438-G440 VanDerWaalsContact O-N 3.16Å; G440-F442 PolarHBondContact O-N 3.49Å
441T46.8Very low49.5Very low106 Ų106132.6 Ų132.665%0.6565%0.648SS**  trans-52.7101.9148.334.90000105.2K443T441-K443 PolarHBondContact O-N 2.92Å
442F45.2Very low49.2Very low157 Ų157131 Ų13169%0.68965%0.648SS**  trans-47106149.2-74.4-81.8000101.7L439 G440 N444L439-F442 HydrophobicContact CB-CE2 4.12Å; G440-F442 PolarHBondContact O-N 3.49Å; F442-N444 PolarHBondContact O-N 2.76Å
443K41.2Very low48.4Very low159 Ų159129.5 Ų129.569%0.69165%0.647SS**  trans-53.7114.5164.6-80.6-166176.2-175.30101T441 D445T441-K443 PolarHBondContact O-N 2.92Å; K443-D445 WeakPolarHBondContact CB-OD1 3.33Å; K443-D445 WeakPolarHBondContact CD-OD1 3.13Å; K443-D445 PolarHBondContact O-N 3.3Å
444N41.7Very low47.7Very low145 Ų145130 Ų13078%0.77565%0.653SS**  trans-59.575.6139.3-65.4-7.6000102.4F442 N446F442-N444 PolarHBondContact O-N 2.76Å; N444-N446 PolarHBondContact O-N 3.21Å
445D37.5Very low47.1Very low92 Ų92127.8 Ų127.849%0.49265%0.65SS.*  trans-49116.2152.1-77.5-27.4000100.3K443 F447K443-D445 WeakPolarHBondContact CB-OD1 3.33Å; K443-D445 WeakPolarHBondContact CD-OD1 3.13Å; K443-D445 PolarHBondContact O-N 3.3Å; D445-F447 HydrophobicContact CB-CE2 4.45Å; D445-F447 VanDerWaalsContact O-CD2 3.29Å; D445-F447 WeakPolarHBondContact O-CD2 3.33Å; D445-F447 PolarHBondContact O-N 3.21Å
446N36.9Very low46.8Very low155 Ų155128.8 Ų128.883%0.82965%0.648SS**  trans-54.588.1177.6-66.1-53.1000105N444 S448N444-N446 PolarHBondContact O-N 3.21Å; N446-S448 PolarHBondContact O-N 3.25Å
447F41.2Very low47.2Very low151 Ų151130 Ų13066%0.66266%0.658SS**  trans-66.285.5154.4-71.8-75.5000100.9D445 N449D445-F447 HydrophobicContact CB-CE2 4.45Å; D445-F447 VanDerWaalsContact O-CD2 3.29Å; D445-F447 WeakPolarHBondContact O-CD2 3.33Å; D445-F447 PolarHBondContact O-N 3.21Å; F447-N449 PolarHBondContact O-N 2.92Å
448S36.2Very low47.3Very low80 Ų80134.2 Ų134.256%0.55967%0.667SS**  trans-33.5118.5148.447.50000105.6N446 T450N446-S448 PolarHBondContact O-N 3.25Å; S448-T450 PolarHBondContact O-N 2.97Å; S448-T450 PolarHBondContact O-OG1 3.44Å
449N37.9Very low47.9Very low155 Ų155130.3 Ų130.383%0.82965%0.652SS**  trans-57.480.9166.7-68.4-29.7000107.2F447F447-N449 PolarHBondContact O-N 2.92Å
450T39.5Very low49.1Very low98 Ų98129.6 Ų129.660%0.60165%0.649SS**  trans-96.398.9156.743.80000103S448 E452S448-T450 PolarHBondContact O-N 2.97Å; S448-T450 PolarHBondContact O-OG1 3.44Å; T450-E452 PolarHBondContact O-N 3.16Å
451D50.5Low50.7Low147 Ų147133.3 Ų133.379%0.78667%0.668SS**THydrogen-bonded Turntrans-56.325.7-175.7-91.8-34.9000115.5
452E49.3Very low52.3Low161 Ų161135.1 Ų135.175%0.75267%0.667SS**THydrogen-bonded Turntrans-136.63.8-165.8-65.9-60.9168.600117.2T450T450-E452 PolarHBondContact O-N 3.16Å
453D44Very low53.9Low120 Ų120129.1 Ų129.164%0.64264%0.644SS**  trans-112.582172.6-71.8-39.9000110.2H455D453-H455 PolarHBondContact O-N 3.23Å
454D46.6Very low55.6Low118 Ų118124.6 Ų124.663%0.63163%0.63SS**  trans-4392.6157.3-91.2-20.4000109.2Y456D454-Y456 HydrophobicContact CB-CD2 3.6Å; D454-Y456 HydrophobicContact CB-CE2 3.25Å; D454-Y456 VanDerWaalsContact CG-CE2 3.41Å; D454-Y456 PolarHBondContact O-N 3.3Å; D454-Y456 WeakPolarHBondContact OD2-CE2 3.4Å; D454-Y456 VanDerWaalsContact OD2-CZ 3.29Å; D454-Y456 PolarHBondContact OD2-OH 3.24Å
455H51.5Low57.4Low129 Ų129122.5 Ų122.560%0.59762%0.615SS**  trans-72.967.2172.8-67.2-41000109D453 F457D453-H455 PolarHBondContact O-N 3.23Å; H455-F457 PolarHBondContact O-N 2.87Å
456Y56.5Low59.2Low125 Ų125125 Ų12549%0.4962%0.618SS.*  trans-65.1105.8163.1-64.3-69.1000107D454 Y458D454-Y456 HydrophobicContact CB-CD2 3.6Å; D454-Y456 HydrophobicContact CB-CE2 3.25Å; D454-Y456 VanDerWaalsContact CG-CE2 3.41Å; D454-Y456 PolarHBondContact O-N 3.3Å; D454-Y456 WeakPolarHBondContact OD2-CE2 3.4Å; D454-Y456 VanDerWaalsContact OD2-CZ 3.29Å; D454-Y456 PolarHBondContact OD2-OH 3.24Å; Y456-Y458 WeakPolarHBondContact O-CD2 3.28Å; Y456-Y458 PolarHBondContact O-N 3.1Å
457F66.1Low61.1Low196 Ų196125.3 Ų125.386%0.8661%0.607SS**  trans-65.289.7162-70.5-86.6000107.8H455 M459H455-F457 PolarHBondContact O-N 2.87Å; F457-M459 PolarHBondContact O-N 3.04Å
458Y63.8Low62.7Low205 Ų205123.4 Ų123.480%0.80460%0.602SS**  trans-62.6111169.6-76.4-85.1000108Y456 D460Y456-Y458 WeakPolarHBondContact O-CD2 3.28Å; Y456-Y458 PolarHBondContact O-N 3.1Å; Y458-D460 PolarHBondContact O-N 2.92Å
459M75.7Confident64.5Low107 Ų107125.6 Ų125.653%0.52760%0.602SS.*  trans-66.6129.5165.4-72.8-118.5101.800108.2F457 V464F457-M459 PolarHBondContact O-N 3.04Å; M459-V464 HydrophobicContact CB-CG2 3.58Å
460D80.7Confident65.8Low87 Ų87119.4 Ų119.447%0.46557%0.57SS.*  trans-49134.1166.9175-7.2000109.1Y458 K462 S463 V464Y458-D460 PolarHBondContact O-N 2.92Å; D460-K462 PolarHBondContact O-N 3.34Å; D460-K462 PolarHBondContact OD1-N 3.1Å; D460-S463 WeakPolarHBondContact O-CA 3.49Å; D460-S463 WeakPolarHBondContact O-CB 3.33Å; D460-S463 PolarHBondContact O-N 3.47Å; D460-V464 PolarHBondContact O-N 2.88Å
461P76.9Confident67.1Low107 Ų107120.4 Ų120.470%0.69557%0.568SS**Hα-helixtrans-40.1-39.6171.4-31.732.6000114.7S463 V464 E465P461-S463 PolarHBondContact O-N 3.04Å; P461-V464 PolarHBondContact O-N 2.78Å; P461-E465 PolarHBondContact O-N 3.48Å
462K79.6Confident67.9Low143 Ų143119.7 Ų119.762%0.62257%0.568SS**Hα-helixtrans-66.7-34.2176.7-75.1-175.7178.7178.60113.5D460 R466D460-K462 PolarHBondContact O-N 3.34Å; D460-K462 PolarHBondContact OD1-N 3.1Å; K462-R466 WeakPolarHBondContact O-CB 3.3Å; K462-R466 WeakPolarHBondContact O-CG 3.48Å; K462-R466 PolarHBondContact O-N 3Å
463S78.6Confident68.4Low31 Ų31114.5 Ų114.522%0.21755%0.55CS..Hα-helixtrans-73.4-35.8176.6-64.40000111D460 P461 R466 R467D460-S463 WeakPolarHBondContact O-CA 3.49Å; D460-S463 WeakPolarHBondContact O-CB 3.33Å; D460-S463 PolarHBondContact O-N 3.47Å; P461-S463 PolarHBondContact O-N 3.04Å; S463-R466 PolarHBondContact OG-NH2 3.16Å; S463-R467 WeakPolarHBondContact O-CB 3.5Å; S463-R467 PolarHBondContact O-N 2.93Å
464V77.7Confident68.8Low64 Ų64116 Ų11639%0.38856%0.558SS.*Hα-helixtrans-63.6-46.9171.2-179.50000110.8M459 D460 P461 R466 R467 M468M459-V464 HydrophobicContact CB-CG2 3.58Å; D460-V464 PolarHBondContact O-N 2.88Å; P461-V464 PolarHBondContact O-N 2.78Å; V464-R466 PolarHBondContact O-N 2.89Å; V464-R467 PolarHBondContact O-N 2.82Å; V464-M468 HydrophobicContact CG1-CG 4.49Å; V464-M468 WeakPolarHBondContact O-CG 3.37Å; V464-M468 PolarHBondContact O-N 3.43Å
465E78.7Confident69.2Low101 Ų101115.3 Ų115.347%0.47255%0.553SS.*Hα-helixtrans-60.7-45.2177.3-169.4-167.616200111.7P461 R467 M468 K469P461-E465 PolarHBondContact O-N 3.48Å; E465-R467 VanDerWaalsContact C-N 3.35Å; E465-R467 PolarHBondContact O-N 2.9Å; E465-M468 PolarHBondContact O-N 2.91Å; E465-K469 WeakPolarHBondContact O-CG 3.27Å; E465-K469 PolarHBondContact O-N 2.87Å; E465-K469 WeakPolarHBondContact OE1-CE 3.47Å; E465-K469 IonicContact OE1-NZ 2.67Å; E465-K469 PolarHBondContact OE1-NZ 3.08Å
466R76Confident69.1Low145 Ų145117 Ų11755%0.54757%0.565SS.*Hα-helixtrans-58.2-46.8174.3-83-174-75.4169.8-2.8111.4K462 S463 V464 M468 K469 C470K462-R466 WeakPolarHBondContact O-CB 3.3Å; K462-R466 WeakPolarHBondContact O-CG 3.48Å; K462-R466 PolarHBondContact O-N 3Å; S463-R466 PolarHBondContact OG-NH2 3.16Å; V464-R466 PolarHBondContact O-N 2.89Å; R466-M468 PolarHBondContact O-N 3.32Å; R466-K469 PolarHBondContact O-N 3.1Å; R466-C470 PolarHBondContact O-N 3.02Å; R466-C470 PolarHBondContact O-SG 3.36Å
467R76.1Confident68.6Low161 Ų161115.8 Ų115.861%0.60857%0.566SS**Hα-helixtrans-61.7-42.7178.8-165.2179.1-154.4-1686.2112.2S463 V464 E465 C470 Q471S463-R467 WeakPolarHBondContact O-CB 3.5Å; S463-R467 PolarHBondContact O-N 2.93Å; V464-R467 PolarHBondContact O-N 2.82Å; E465-R467 VanDerWaalsContact C-N 3.35Å; E465-R467 PolarHBondContact O-N 2.9Å; R467-C470 PolarHBondContact O-N 3.2Å; R467-Q471 WeakPolarHBondContact O-CG 3.25Å; R467-Q471 PolarHBondContact O-N 3.36Å
468M74.4Confident67.7Low112 Ų112112.1 Ų112.155%0.55256%0.562SS**Hα-helixtrans-61.5-45174.6-73.9-67.4-172.100111.2V464 E465 R466 C470 Q471 V472V464-M468 HydrophobicContact CG1-CG 4.49Å; V464-M468 WeakPolarHBondContact O-CG 3.37Å; V464-M468 PolarHBondContact O-N 3.43Å; E465-M468 PolarHBondContact O-N 2.91Å; R466-M468 PolarHBondContact O-N 3.32Å; M468-C470 VanDerWaalsContact C-N 3.35Å; M468-C470 PolarHBondContact O-N 3.06Å; M468-Q471 PolarHBondContact O-N 2.95Å; M468-V472 VanDerWaalsContact O-CG2 3.28Å; M468-V472 WeakPolarHBondContact O-CG2 3.34Å; M468-V472 PolarHBondContact O-N 3.17Å
469K75.2Confident66.8Low126 Ų126107.6 Ų107.655%0.54856%0.556SS.*Hα-helixtrans-60.5-41.3174.8-74.8-179.7-176.11700112.4E465 R466 V472 S473E465-K469 WeakPolarHBondContact O-CG 3.27Å; E465-K469 PolarHBondContact O-N 2.87Å; E465-K469 WeakPolarHBondContact OE1-CE 3.47Å; E465-K469 IonicContact OE1-NZ 2.67Å; E465-K469 PolarHBondContact OE1-NZ 3.08Å; R466-K469 PolarHBondContact O-N 3.1Å; K469-V472 PolarHBondContact O-N 3.45Å; K469-S473 VanDerWaalsContact O-CB 3.3Å; K469-S473 WeakPolarHBondContact O-CB 3.41Å; K469-S473 PolarHBondContact O-N 3.46Å; K469-S473 PolarHBondContact O-OG 2.99Å
470C64.9Low65.3Low24 Ų24107.1 Ų107.116%0.16256%0.563CS.*Hα-helixtrans-63.7-41.7175.7-600000112.8R466 R467 M468 S473 N474 I475R466-C470 PolarHBondContact O-N 3.02Å; R466-C470 PolarHBondContact O-SG 3.36Å; R467-C470 PolarHBondContact O-N 3.2Å; M468-C470 VanDerWaalsContact C-N 3.35Å; M468-C470 PolarHBondContact O-N 3.06Å; C470-S473 WeakPolarHBondContact CA-OG 3.44Å; C470-S473 PolarHBondContact O-N 3.14Å; C470-S473 PolarHBondContact O-OG 3.29Å; C470-N474 PolarHBondContact O-N 3.2Å; C470-I475 WeakPolarHBondContact CB-O 3.45Å
471Q67.2Low64.1Low120 Ų120115.6 Ų115.656%0.56160%0.596SS**Hα-helixtrans-66.2-40.5177.7-75.6179.7-12.600111.4R467 M468 S473R467-Q471 WeakPolarHBondContact O-CG 3.25Å; R467-Q471 PolarHBondContact O-N 3.36Å; M468-Q471 PolarHBondContact O-N 2.95Å; Q471-S473 VanDerWaalsContact C-N 3.34Å
472V67Low63.5Low131 Ų131116.1 Ų116.179%0.79459%0.591SS**Hα-helixtrans-69.2-33.2175.9175.40000111.4M468 K469M468-V472 VanDerWaalsContact O-CG2 3.28Å; M468-V472 WeakPolarHBondContact O-CG2 3.34Å; M468-V472 PolarHBondContact O-N 3.17Å; K469-V472 PolarHBondContact O-N 3.45Å
473S59.5Low62.6Low52 Ų52114.6 Ų114.636%0.36459%0.59SS.*Hα-helixtrans-84.3-6.7-177.966.60000114.6K469 C470 Q471 I475K469-S473 VanDerWaalsContact O-CB 3.3Å; K469-S473 WeakPolarHBondContact O-CB 3.41Å; K469-S473 PolarHBondContact O-N 3.46Å; K469-S473 PolarHBondContact O-OG 2.99Å; C470-S473 WeakPolarHBondContact CA-OG 3.44Å; C470-S473 PolarHBondContact O-N 3.14Å; C470-S473 PolarHBondContact O-OG 3.29Å; Q471-S473 VanDerWaalsContact C-N 3.34Å; S473-I475 WeakPolarHBondContact O-CG1 3.35Å; S473-I475 PolarHBondContact O-N 2.9Å; S473-I475 WeakPolarHBondContact OG-CB 3.48Å; S473-I475 PolarHBondContact OG-N 3.26Å
474N52.8Low61.7Low153 Ų153119.3 Ų119.382%0.81861%0.61SS**THydrogen-bonded Turntrans52.210.3-166.8-88.5-16.6000113.9C470C470-N474 PolarHBondContact O-N 3.2Å
475I53.8Low60.8Low102 Ų102122.5 Ų122.552%0.52362%0.623SS.*  trans-94.7106176.6-60.2167.1000105.8C470 S473 L477C470-I475 WeakPolarHBondContact CB-O 3.45Å; S473-I475 WeakPolarHBondContact O-CG1 3.35Å; S473-I475 PolarHBondContact O-N 2.9Å; S473-I475 WeakPolarHBondContact OG-CB 3.48Å; S473-I475 PolarHBondContact OG-N 3.26Å; I475-L477 HydrophobicContact CG2-CD2 3.92Å; I475-L477 HydrophobicContact CG2-CG 4.04Å; I475-L477 PolarHBondContact O-N 3.42Å
476I50.3Low59.7Low164 Ų164123.9 Ų123.984%0.84163%0.633SS**  trans-63.989.6167.1-58173000106.7
477L46.6Very low58.6Low100 Ų100122.5 Ų122.552%0.52464%0.639SS.*  trans-72.7135.6170.4-71.2172.8000108.6I475 V479I475-L477 HydrophobicContact CG2-CD2 3.92Å; I475-L477 HydrophobicContact CG2-CG 4.04Å; I475-L477 PolarHBondContact O-N 3.42Å; L477-V479 PolarHBondContact O-N 3.3Å; L477-V479 VanDerWaalsContact O-N 3.14Å
478P45.4Very low57.3Low119 Ų119119.7 Ų119.777%0.77364%0.641SS**  trans-61.9119.7178.924.4-31.6000109.2S480P478-S480 PolarHBondContact O-N 3.29Å
479V46.7Very low56Low111 Ų111120.3 Ų120.367%0.67365%0.648SS**  trans-70.2110.5169.8-179.50000106.6L477 F481L477-V479 PolarHBondContact O-N 3.3Å; L477-V479 VanDerWaalsContact O-N 3.14Å; V479-F481 PolarHBondContact O-N 3.36Å
480S42.7Very low54.4Low97 Ų97119.8 Ų119.868%0.67866%0.656SS**  trans-70.8120.7167.555.20000108.4P478P478-S480 PolarHBondContact O-N 3.29Å
481F56.5Low53.5Low265 Ų265128.5 Ų128.5100%1.16270%0.701SS**  trans-80.30170.7-72.4-83.6000111V479V479-F481 PolarHBondContact O-N 3.36Å

Retrieved 481 of 481 residues in 63.5 ms (Link to these results)