A0A3Q0KUI9_SCHMA Loading...

One cut domain family member

AlphaFold DB , UniProt , Accession A0A3Q0KUI9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,420 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
1M34Very low33.7Very low211 Ų211180.1 Ų180.1100%1.03985%0.851SS**  0100.10-70.4161.2171.600108.8L42M1-L42 HydrophobicContact CE-CD2 4.48Å; M1-L42 HydrophobicContact SD-CD1 4.38Å; M1-L42 HydrophobicContact SD-CD2 4.37Å
2F31.1Very low34Very low211 Ų211180.8 Ų180.893%0.92585%0.853SS**  trans-121.9112.3169.2-93.9-88.7000107.3
3K32.5Very low33.7Very low193 Ų193179.6 Ų179.684%0.83986%0.856SS**  trans178.2158.4156.2-108.8168.7-175.5-178.30112.4
4N37.8Very low33.7Very low139 Ų139179.9 Ų179.974%0.74386%0.856SS**  trans68.396.9170.7-58.36.1000114.3
5I35.2Very low33.9Very low134 Ų134179.3 Ų179.369%0.68785%0.852SS**  cis82.5120.138.5-50.8162.4000112.6
6E31.4Very low34Very low175 Ų175176.6 Ų176.682%0.81884%0.844SS**  trans33.2104.6156.5-60.2172.2164.600119.7
7H35.2Very low33.9Very low182 Ų182175.9 Ų175.984%0.84384%0.84SS**  -164.6115.4126.8-120.3-91000109.9
8L35.8Very low34.1Very low171 Ų171171.9 Ų171.990%0.89583%0.834SS**  trans165.557.3159.3-94.2163.7000110.8
9K34.5Very low34.3Very low204 Ų204171.4 Ų171.489%0.88784%0.835SS**  trans-139.455.9171.3-98.5-164.7175-175.60111.5
10Q30.1Very low34.3Very low170 Ų170171.5 Ų171.579%0.79483%0.834SS**  trans-157.5165.9167.3-10114230.500107.9
11E33.5Very low34.3Very low191 Ų191170.1 Ų170.189%0.89383%0.831SS**SBendtrans68.862-179.5-54.8-167.7153.700117.5
12H36.9Very low34.2Very low188 Ų188171.5 Ų171.587%0.8783%0.826SS**  -163.4116.8114.4-124.7-89.2000110
13N29.8Very low34.5Very low166 Ų166170.9 Ų170.989%0.88882%0.823SS**  trans-159.279-179.5-15015.6000111.9
14Q34.3Very low34.4Very low183 Ų183168.4 Ų168.486%0.85582%0.818SS**  trans-159.1151.9166.7-115160.11200110.6
15E37.2Very low34.1Very low172 Ų172172.7 Ų172.780%0.80483%0.825SS**  trans70.284.1175.1-54.2-165.1127.500117.8
16N35Very low34.1Very low135 Ų135171.3 Ų171.372%0.72283%0.825SS**  41.4144103.2-51.7-18.2000119.1
17Q31.6Very low34.5Very low165 Ų165169 Ų16977%0.77182%0.818SS**  cis-167.9179.6-9.8-118.3168.9-23.700108
18S37.6Very low34.6Very low105 Ų105168.2 Ų168.273%0.73481%0.813SS**  trans66.7140.7179.9670000116.3
19D38.3Very low34.4Very low161 Ų161169.2 Ų169.286%0.86181%0.81SS**  cis-146.5170.6-9.7-103.4-19.6000112.3
20E35.1Very low34.4Very low174 Ų174166.9 Ų166.981%0.81380%0.802SS**  trans-84.8133.8-164.4-54.5-170147.300115.5
21N33.3Very low34.7Very low143 Ų143165.6 Ų165.677%0.76581%0.807SS**  171.190.5121.6-100.2-78.2000113
22Y32.6Very low34.5Very low239 Ų239163.2 Ų163.294%0.93780%0.799SS**  trans-141.9120.8157.7-93.6-77.9000111.6
23K37.9Very low34.2Very low199 Ų199163.1 Ų163.187%0.86579%0.792SS**  trans-91.9124.5-171.1-158.8167.9-172.4168.80111
24L29.8Very low34.4Very low141 Ų141160.8 Ų160.874%0.73878%0.779SS**  trans-60.6141.7178.7-97.469.4000112.9
25Y32Very low34.3Very low228 Ų228160 Ų16089%0.89478%0.779SS**  trans-156.9100.8143-96.6-66000111.4
26P35Very low34.1Very low105 Ų105158.2 Ų158.268%0.68278%0.775SS**  trans-98.5130.5161.434.1-26.5000110.6
27D38.9Very low34Very low126 Ų126157.1 Ų157.167%0.67478%0.778SS**  trans-158.1143.9164.6-148.7-7.7000114.5
28K37.8Very low34Very low167 Ų167156 Ų15673%0.72678%0.782SS**  trans61.196.2164.2-78.4136.1-162.4153.60121.5
29F31.9Very low33.9Very low192 Ų192160 Ų16084%0.84279%0.787SS**  -26.4164.7120.2-63.4-109.2000114.1
30E33.9Very low33.9Very low154 Ų154159.4 Ų159.472%0.7278%0.779SS**  cis-163143.923.4-157.1163.1-147.100111.2
31T35.9Very low33.7Very low144 Ų144159.5 Ų159.588%0.88378%0.784SS**  trans-164.4119.5144.6-50.50000109.2
32L29.2Very low33.8Very low141 Ų141158.6 Ų158.674%0.73878%0.778SS**  trans-95.3149.8167.9-76.2162.2000110.2
33Y32Very low33.8Very low186 Ų186154.8 Ų154.873%0.72977%0.769SS**  trans-154.6159.4132.5-117.6-77.4000110.5
34L33.2Very low33.9Very low117 Ų117150.9 Ų150.961%0.61376%0.764SS**  trans-77.6154.9-156.7-75.563.3000115
35I32.6Very low33.8Very low167 Ų167151.8 Ų151.886%0.85677%0.769SS**  trans-122.6117.2147-63.8175.9000106.1
36D32.1Very low33.9Very low134 Ų134146.9 Ų146.972%0.71777%0.767SS**  trans-86.8118.9177-79.3-57.9000111.2
37S34Very low33.6Very low112 Ų112151.1 Ų151.178%0.78378%0.775SS**  trans-170.487.7161.8-83.70000111.7
38T31.8Very low33.1Very low140 Ų140150.2 Ų150.286%0.85978%0.779SS**  trans-145.5128.2160.254.10000110.8
39K35.7Very low32.6Very low189 Ų189149.3 Ų149.382%0.82278%0.78SS**  trans151.8132.4157.2-90.6-173.8176.2-173.50109.3
40E37.1Very low32.4Very low150 Ų150145.4 Ų145.470%0.70178%0.777SS**  cis-134.8153.7-6.2-59-156.6143.700111
41L31.2Very low32.2Very low175 Ų175141.1 Ų141.192%0.91677%0.774SS**  trans-122.5114.4162.5-85.7173.1000108.1
42L34.8Very low31.9Very low124 Ų124139.4 Ų139.465%0.64977%0.768SS**  trans-14990.4170.8-106170.7000110.8M1M1-L42 HydrophobicContact CE-CD2 4.48Å; M1-L42 HydrophobicContact SD-CD1 4.38Å; M1-L42 HydrophobicContact SD-CD2 4.37Å
43H33.8Very low31.8Very low160 Ų160137.2 Ų137.274%0.74177%0.765SS**  trans-67.3157.5162-111.6-68.1000110.3
44P38.3Very low31.7Very low117 Ų117136.2 Ų136.276%0.7677%0.771SS**  -132.4166.411036.9-30000113.1
45L27.8Very low31.3Very low160 Ų160134.7 Ų134.784%0.83877%0.77SS**  trans-95.2136.7168.1-64.890.5000110.2
46S34.5Very low31Very low124 Ų124133 Ų13387%0.86777%0.767SS**  trans-145148.7153.260.20000109.5
47K29.4Very low30.9Very low194 Ų194131.8 Ų131.884%0.84377%0.77SS**  trans-103.6150.7-170.4-69.6-179.8175.5179.90112.2
48S27.6Very low30.6Very low107 Ų107132.6 Ų132.675%0.74877%0.77SS**  trans68.1164.9142.265.20000119.2
49I28.8Very low30.5Very low148 Ų148131.9 Ų131.976%0.75977%0.765SS**  trans71.189.4174.9-51.6173.9000111.7
50S27.7Very low30.1Very low110 Ų110129.7 Ų129.777%0.76976%0.762SS**  68124.36086.90000114.1
51G29.5Very low29.9Very low64 Ų64130 Ų13066%0.6677%0.767SS**  trans116.2111.7-175.500000110.3
52S29.4Very low29.7Very low109 Ų109128.3 Ų128.376%0.76276%0.759SS**  67.386.686.471.10000111.3
53S27.3Very low29.3Very low95 Ų95133 Ų13366%0.66477%0.769SS**  94.814273.562.60000111.8
54L28.4Very low29.2Very low164 Ų164131.5 Ų131.586%0.85977%0.77SS**  trans68.7151171.9-53.8157.7000114
55S26.3Very low28.8Very low86 Ų86132 Ų13260%0.60177%0.767SS**  cis-169.4150.9-22.949.50000109
56T25.8Very low29Very low130 Ų130129.8 Ų129.880%0.79876%0.756SS**  trans32.8115.5148.357.90000119.7
57S29.3Very low28.8Very low109 Ų109130 Ų13076%0.76275%0.747SS**  177.4138.694.9-164.40000112.6
58T27.4Very low28.9Very low130 Ų130127.3 Ų127.380%0.79874%0.742SS**  trans-74.6142.2159.540.30000110.8
59V31.1Very low28.9Very low124 Ų124128.9 Ų128.975%0.75274%0.74SS**  trans-146116.5160.9178.70000108.8I61V59-I61 HydrophobicContact CG1-CD1 4.42Å
60D26.6Very low29Very low143 Ų143126.5 Ų126.577%0.76574%0.737SS**  trans-76.5150164.2-68.3-77.5000111.1
61I32.7Very low28.9Very low156 Ų156126.9 Ų126.980%0.873%0.734SS**  trans-15493.3143.5-93.3134000110V59V59-I61 HydrophobicContact CG1-CD1 4.42Å
62N26.9Very low29Very low140 Ų140132.2 Ų132.275%0.74975%0.746SS**  33.5127.5115-105.7-59.9000121.1
63R27.2Very low28.9Very low224 Ų224133.2 Ų133.285%0.84574%0.743SS**  97.4153.8125-151.5-174.1-162.2164.46.6119.7
64V32Very low28.8Very low128 Ų128136.7 Ų136.778%0.77675%0.752SS**  trans83.9135.7163.6-172.70000116.3
65N28.9Very low28.9Very low128 Ų128136.6 Ų136.668%0.68475%0.747SS**  cis-167168.7-39.4-146.111.2000109.8
66N32.1Very low29.2Very low113 Ų113136.9 Ų136.960%0.60475%0.747SS**  trans60.6114.8152.6-65.1-13.4000121
67N30.3Very low29.2Very low127 Ų127138.9 Ų138.968%0.67975%0.747SS**  44.4119.3115.8-40.5-16.2000119.5
68N30.7Very low29.1Very low138 Ų138138.5 Ų138.574%0.73875%0.745SS**  176.4127.499-92.6-25.7000116.2
69I28.1Very low29.1Very low141 Ų141136.9 Ų136.972%0.72374%0.739SS**  76.3146.3129.5-61.3168.9000120.8
70S30.3Very low28.8Very low98 Ų98137.9 Ų137.969%0.68574%0.738SS**  trans76.886.7161.247.50000121.2
71T26.7Very low28.9Very low117 Ų117138.5 Ų138.572%0.71874%0.736SS**  10.4130.7118.950.80000119.9
72I31.3Very low28.8Very low177 Ų177136.1 Ų136.191%0.90873%0.725SS**  trans-134.1133.9136.5-63.2-175.6000107.4
73D27.8Very low29.1Very low130 Ų130138.8 Ų138.870%0.69573%0.73SS**  trans-89160.3-166.7-70.6-74.8000116.3
74I25.5Very low29.3Very low167 Ų167135.1 Ų135.186%0.85673%0.727SS**  trans-84.2121161.2-60.7169.9000107.8
75H29.7Very low29.3Very low163 Ų163133.9 Ų133.976%0.75572%0.721SS**  trans-127.6102.4-177.3-156.9-57.2000112.9
76P32.5Very low29.3Very low92 Ų92132.8 Ų132.860%0.59772%0.724SS**  trans-80.2165.8160.134-32.8000111.2
77Q26.6Very low29.2Very low171 Ų171132.4 Ų132.480%0.79973%0.73SS**  trans81.6129.2173.3-50-162.319.400120.5
78S25.9Very low29.3Very low102 Ų102133.9 Ų133.971%0.71373%0.733SS**  trans95.3130.4133.280.40000122
79S27.6Very low29.3Very low96 Ų96134 Ų13467%0.67173%0.733SS**  trans85.392.5135.9-62.70000123.1
80I25.6Very low29.5Very low145 Ų145131.4 Ų131.474%0.74473%0.728SS**  83137.4111.2-72.7160.5000121.2
81H29.7Very low29.6Very low155 Ų155133 Ų13372%0.71873%0.729SS**  trans90.4108.2155-86.6-41.5000123.1
82N28.9Very low29.7Very low107 Ų107134.6 Ų134.657%0.57273%0.733SS**  trans78153.3136.4-53.4-21.8000118.4
83F33.4Very low29.6Very low195 Ų195130.3 Ų130.386%0.85572%0.718SS**  cis-127146.212-106.2-77.9000115.7
84L31.3Very low29.5Very low148 Ų148131.6 Ų131.678%0.77573%0.725SS**  trans-50.7179.3160-111.265.1000114.5
85P33.5Very low29.6Very low101 Ų101128.5 Ų128.566%0.65672%0.717SS**  cis-143.1170.61036.3-15.3000119.3
86S28.9Very low29.4Very low106 Ų106126 Ų12674%0.74172%0.719SS**  trans62.4150139.461.10000120.7
87S29.1Very low29.1Very low104 Ų104127.4 Ų127.473%0.72773%0.729SS**  cis-166.9165.8-15.455.70000106.6
88Q33Very low29Very low158 Ų158127.8 Ų127.874%0.73873%0.731SS**  cis-146.416927.7-58.7176.9-11.100111.6
89N30.1Very low29Very low141 Ų141132.2 Ų132.275%0.75473%0.733SS**  trans43135.8143.3-61.2-10.3000121.6
90S32.4Very low29.2Very low86 Ų86131.2 Ų131.260%0.60173%0.731SS**  cis-173.4145.1-8.147.60000111.1
91N31.4Very low29.5Very low133 Ų133130.2 Ų130.271%0.71173%0.731SS**  trans68.3107159.1-51.7-23.9000115.8
92N30.3Very low29.7Very low149 Ų149132.7 Ų132.780%0.79774%0.735SS**  83.1139.476.4-70.4-8.4000113.2
93S28Very low29.6Very low87 Ų87133.3 Ų133.361%0.60874%0.742SS**  cis-175.7154.4-12.550.20000111.4
94L27.1Very low29.4Very low158 Ų158130.8 Ų130.883%0.82774%0.738SS**  trans68.5114.9147.6-73.9161.2000121.7
95S27.6Very low29.3Very low101 Ų101128 Ų12871%0.70673%0.731SS**  88.3133.4119.3-150.10000122.5
96S25.5Very low29Very low112 Ų112130.3 Ų130.378%0.78374%0.737SS**  trans83.2170.7149.3-58.90000119.5
97C25.4Very low29Very low121 Ų121131.5 Ų131.582%0.81874%0.739SS**  trans-83.8175.6-156.9-540000115.2
98E25.2Very low29.1Very low179 Ų179129.7 Ų129.784%0.83674%0.738SS**  trans81.9152.5163.2-57.6-162105.600120.3
99Y25.4Very low29Very low194 Ų194129.2 Ų129.276%0.76174%0.74SS**  trans21.7104.3158.7-89.1-94.8000122.4
100A30.6Very low29Very low76 Ų76129.3 Ų129.363%0.62874%0.739SS**  66.2165.1113.200000122.9
101V32.6Very low28.9Very low123 Ų123129.9 Ų129.975%0.74574%0.743SS**  trans64.8166.5170.7-1250000113.2
102R33.6Very low29Very low208 Ų208129 Ų12979%0.78574%0.742SS**  cis-160.7146.84.9-172.7175.7-80.5142.5-9112.4
103T27.8Very low29.1Very low120 Ų120129.2 Ų129.274%0.73674%0.744SS**  trans-144.4143144.247.90000105.9
104N28.4Very low29.8Very low142 Ų142130.2 Ų130.276%0.75975%0.748SS**  cis-144.3167.21.5-88.5-33.1000107.3
105S28.8Very low30.3Very low89 Ų89131.2 Ų131.262%0.62275%0.749SS**  cis-168.5-177.7-19.654.70000108.2
106L27.5Very low30.3Very low150 Ų150131.1 Ų131.179%0.78574%0.744SS**  trans69.3139176.6-81.679.1000117.9
107T30.1Very low30.6Very low130 Ų130131.1 Ų131.180%0.79874%0.739SS**  cis-164.3143.2-31.44.20000110.6
108G31.1Very low30.6Very low67 Ų67130 Ų13069%0.69173%0.733SS**  trans84.9156.6156.500000117.3
109N30.3Very low30.6Very low148 Ų148130 Ų13079%0.79173%0.73SS**  cis-163.5156.5-10.6-132.5-3.5000112.2
110I30.2Very low30.6Very low143 Ų143128.7 Ų128.773%0.73373%0.731SS**  trans68.8110.4154.6-66164.7000116.2
111S29.6Very low30.4Very low97 Ų97131.7 Ų131.768%0.67874%0.736SS**  86.8140.980.1-134.70000113.3
112T34.2Very low30Very low114 Ų114130.2 Ų130.270%0.69973%0.731SS**  cis-165.2148-4.2-1.10000113.1
113N31.3Very low29.7Very low154 Ų154124.8 Ų124.882%0.82473%0.725SS**  trans64.1157.9146.2-88.6-1.6000123.2
114P44.4Very low29.6Very low109 Ų109125.4 Ų125.471%0.70872%0.724SS**  trans-118.6-161.7-171.744.9-30.3000111.7
115Q36.6Very low29.6Very low178 Ų178124.2 Ų124.283%0.83272%0.716SS**  trans177.6162.2145.4-84.4-129.218.600108.7
116T28.6Very low29.6Very low99 Ų99126.3 Ų126.361%0.60772%0.72SS**  cis-168.6173.9-33-620000105.2
117V31.9Very low29.6Very low112 Ų112124.9 Ų124.968%0.67971%0.713SS**  trans76107.5167.4-162.80000112.8F119V117-F119 HydrophobicContact CG1-CD2 4.25Å
118S25.5Very low29.5Very low98 Ų98124.2 Ų124.269%0.68571%0.714SS**  cis81.2152.842-52.40000115.1
119F25Very low29.4Very low178 Ų178125 Ų12578%0.78171%0.709SS**  trans89.6136.6163-68.2-70.8000120.7V117V117-F119 HydrophobicContact CG1-CD2 4.25Å
120Q25.6Very low29.1Very low168 Ų168125 Ų12579%0.78571%0.709SS**  trans66141.2152.8-72.5174.1-28.100117.2
121L25.1Very low29Very low138 Ų138124.4 Ų124.472%0.72371%0.706SS**  cis152.8145.3-15.7-119.9165000102.6
122S24.7Very low28.9Very low93 Ų93127.5 Ų127.565%0.6571%0.714SS**  trans67.8159.1158.6-55.70000117.1
123S26.6Very low28.5Very low94 Ų94127.6 Ų127.666%0.65771%0.709SS**  trans72.8127.3141.645.60000119.3
124N25.9Very low28.2Very low133 Ų133126.2 Ų126.271%0.71170%0.702SS**  cis-173.3-177.7-6.8-119.6-8.9000109.7
125I28.7Very low27.4Very low117 Ų117127.6 Ų127.660%0.670%0.703SS**  trans44.9118.2132.4-65.1169.1000116
126D30Very low26.9Very low133 Ų133126 Ų12671%0.71170%0.696SS**  cis-140.4154.936-95.4-47.7000111.4
127N27.1Very low26.8Very low119 Ų119127.1 Ų127.164%0.63670%0.698SS**  cis60.876.535.3-68.2-27.7000115.8
128S28.2Very low26.8Very low116 Ų116128.6 Ų128.681%0.81170%0.701SS**  trans-151.7109.3133-69.60000107.2
129S27.5Very low27Very low84 Ų84130.7 Ų130.759%0.58770%0.704SS**  cis69.7137.748.9-510000113.1
130N25.6Very low27.6Very low148 Ų148126 Ų12679%0.79170%0.698SS**  trans67.9125.3162.5-50-31.7000113.5
131I26.6Very low27.9Very low131 Ų131125.2 Ų125.267%0.67270%0.699SS**  cis-150.5133.830.4-91.6117.3000105.1I133I131-I133 HydrophobicContact CG2-CB 3.86Å; I131-I133 HydrophobicContact CG2-CD1 3.86Å; I131-I133 HydrophobicContact CG2-CG1 3.85Å
132L28.3Very low28.4Very low161 Ų161125.7 Ų125.784%0.84370%0.698SS**  57-179.761.3-145.783.1000112.2
133I25.9Very low28.8Very low117 Ų117126.9 Ų126.960%0.670%0.697SS**  trans58.884.3174-51.3175.6000111.4I131I131-I133 HydrophobicContact CG2-CB 3.86Å; I131-I133 HydrophobicContact CG2-CD1 3.86Å; I131-I133 HydrophobicContact CG2-CG1 3.85Å
134N24.7Very low29Very low125 Ų125129 Ų12967%0.66870%0.7SS**  55.2107.293.1-53.75.8000112
135N27.2Very low29.3Very low138 Ų138128.5 Ų128.574%0.73870%0.697SS**  -169.4117.3105.4-86-8.7000107.1
136E26.5Very low29.3Very low145 Ų145128.4 Ų128.468%0.67870%0.702SS**  81.2120.469.2-84.2-163.7-170.800113.3
137N27.3Very low29.3Very low122 Ų122127.9 Ų127.965%0.65270%0.699SS**  trans80.5145.8142.2-57.1-24.6000121.1
138I30.7Very low29.4Very low143 Ų143128.9 Ų128.973%0.73370%0.7SS**  trans77.2121.7150.9-68.1151.4000116.8
139D31.1Very low29.5Very low142 Ų142130.9 Ų130.976%0.75970%0.697SS**  cis-165.4175.9-10.4-114.7-17.6000112.5
140A35.5Very low29.5Very low79 Ų79131.8 Ų131.865%0.65370%0.703SS**  trans70.7110162.900000117
141N32Very low29.7Very low152 Ų152131 Ų13181%0.81370%0.703SS**  88.1132.367-74-4.6000112.3
142E36.7Very low29.8Very low148 Ų148130.4 Ų130.469%0.69271%0.711SS**  cis-154.9148.86-121.6-167.8145.500111.9
143N33.3Very low30Very low117 Ų117128.1 Ų128.163%0.62671%0.709SS**  trans57.7140.2144.6-57-20.6000120.9
144L30.8Very low30.4Very low138 Ų138128.1 Ų128.172%0.72372%0.716SS**  cis-168.1167.2-3.7-132.777.9000105.8
145L30.9Very low30.6Very low124 Ų124127 Ų12765%0.64972%0.718SS**  cis-160.599.9-3.9-173.265.5000111.7
146T30Very low30.5Very low115 Ų115126.9 Ų126.971%0.70672%0.717SS**  trans64162.1154.170.50000119.5
147N28.9Very low30.5Very low121 Ų121128.2 Ų128.265%0.64772%0.717SS**  cis-157135.8-14.3-117.1-26.2000112.6
148Q29.7Very low30.6Very low141 Ų141129.1 Ų129.166%0.65972%0.72SS**  trans53.9124.1135.9-71.9178.678.100125.1
149Q29.6Very low30.5Very low158 Ų158130.2 Ų130.274%0.73872%0.719SS**  85.598.2126.2-69178.37.600123.7
150S28.3Very low30.4Very low103 Ų103129.7 Ų129.772%0.7272%0.715SS**  67.6130.3107.5-510000124.4
151T29.3Very low30Very low131 Ų131132.8 Ų132.880%0.80472%0.716SS**  trans100.3122.5148.668.50000122.4
152S28.6Very low29.8Very low118 Ų118130.4 Ų130.483%0.82570%0.703SS**  trans68.5142.9150.244.80000122.4
153S32.6Very low29.4Very low114 Ų114133.4 Ų133.480%0.79771%0.709SS**  trans-69.6177.3176.4-29.60000113.5
154P35.8Very low29.4Very low116 Ų116134.3 Ų134.375%0.75371%0.713SS**  cis-136.5177.51.743.2-27.1000116
155S27Very low29.2Very low102 Ų102133 Ų13371%0.71371%0.707SS**  trans69.9133.1150.7-159.20000120.4
156N26.7Very low29.1Very low135 Ų135135.5 Ų135.572%0.72271%0.712SS**  trans79.9141148.3-103.9-24.7000121.5
157Y25Very low28.9Very low173 Ų173135.1 Ų135.168%0.67871%0.71SS**  trans59.3106167.3-81.2-102.9000117.9
158M30.4Very low28.8Very low142 Ų142136 Ų13670%0.771%0.714SS**  55.6110.267.5-174.2-140.4-79.600113.2
159K28.7Very low28.8Very low166 Ų166135.7 Ų135.772%0.72272%0.717SS**  trans177.7153130.5-105.6168.9-179.4179.30115.3
160I28.2Very low28.8Very low131 Ų131133.2 Ų133.267%0.67272%0.717SS**  trans75.1128.4142.4-72.9166.6000117.1
161Q28Very low29.2Very low144 Ų144131.2 Ų131.267%0.67370%0.702SS**  cis-169166.4-8.1-125.2174.75.800113.7
162N27.9Very low29.2Very low102 Ų102129.5 Ų129.555%0.54568%0.684SS.*  trans43.2123.5145-59.8-21.1000119.3
163Y28.6Very low29.1Very low211 Ų211127.9 Ų127.983%0.82767%0.666SS**  -171.1150.481.1-90.6-68000108.6
164L31.5Very low28.8Very low135 Ų135128.9 Ų128.971%0.70766%0.662SS**  cis-130.5135.4-5.2-119.2109.3000108.8
165L27.4Very low28.3Very low111 Ų111127.6 Ų127.658%0.58166%0.656SS**  32.2123.3128.8-80.761.7000121.9
166K28.3Very low28.3Very low176 Ų176132.9 Ų132.977%0.76566%0.662SS**  69.7147.7113.2-64.6-176-177.6177.70120
167T27Very low28.2Very low107 Ų107131.4 Ų131.466%0.65666%0.658SS**  cis-169149.5-0.1190000112.6
168L26.8Very low28.2Very low139 Ų139130 Ų13073%0.72866%0.662SS**  trans71.9127.6143.7-63.7162.4000121.3
169D28.3Very low28Very low136 Ų136128.4 Ų128.473%0.72766%0.664SS**  67.293.4128-53.5-3.3000123.4
170S29.7Very low27.9Very low106 Ų106126.1 Ų126.174%0.74167%0.669SS**  72.9-173.7117.4-126.50000117.6
171P37.6Very low28Very low61 Ų61125 Ų12540%0.39668%0.68SS.*  trans-116.5-169-130.222.73.7000115.2V1349P171-V1349 HydrophobicContact CB-CG1 4.48Å
172H30Very low27.8Very low95 Ų95122.9 Ų122.944%0.4468%0.681SS.*BIsolated β-bridgetrans114.1159.4164.8-45.2-30.9000120.1V1349 E1350 D1351H172-V1349 VanDerWaalsContact N-CG1 3.32Å; H172-V1349 WeakPolarHBondContact O-CG1 3.35Å; H172-E1350 WeakPolarHBondContact CA-O 3.45Å; H172-E1350 PolarHBondContact N-O 3.13Å; H172-E1350 PolarHBondContact ND1-O 3.26Å; H172-E1350 PolarHBondContact O-N 3.46Å; H172-E1350 VanDerWaalsContact O-N 3.13Å; H172-D1351 HydrophobicContact CB-CB 3.81Å; H172-D1351 IonicContact CE1-OD1 3.28Å; H172-D1351 PolarHBondContact CE1-OD1 3.22Å; H172-D1351 IonicContact CE1-OD2 3.22Å; H172-D1351 IonicContact CG-OD1 3.23Å; H172-D1351 IonicContact CG-OD2 2.8Å; H172-D1351 WeakPolarHBondContact ND1-CB 3.45Å; H172-D1351 IonicContact ND1-OD1 2.66Å; H172-D1351 PolarHBondContact ND1-OD1 3.12Å; H172-D1351 IonicContact ND1-OD2 2.74Å; H172-D1351 PolarHBondContact ND1-OD2 3.43Å; H172-D1351 IonicContact NE2-OD1 2.78Å
173D25.3Very low27.8Very low83 Ų83125.7 Ų125.744%0.44469%0.694SS.*  -98179.2-125.9-161.733.6000120.4D1351D173-D1351 HydrophobicContact CB-CB 3.69Å; D173-D1351 PolarHBondContact OD1-N 2.69Å
174L27.2Very low27.7Very low135 Ų135120.2 Ų120.271%0.70769%0.687SS**  trans112.9103.5140.4-80.8178.1000119.8
175S25.2Very low27.6Very low89 Ų89122.5 Ų122.562%0.62269%0.694SS**  73.2130.4121.881.90000123
176Y25.9Very low27.5Very low214 Ų214122 Ų12284%0.83970%0.7SS**  trans60.9141130.5-91.7-73.4000125.3
177T25.2Very low27.8Very low104 Ų104119.3 Ų119.364%0.63870%0.703SS**  trans76.8115.4151.554.10000121.9
178N25.8Very low27.8Very low143 Ų143123 Ų12377%0.76571%0.712SS**  44.7124.1123.2-47.7-24.4000118.1
179S26.4Very low28Very low108 Ų108124.7 Ų124.776%0.75572%0.72SS**  -172.2141.469.7-68.20000114.7
180S25.7Very low27.8Very low118 Ų118127 Ų12783%0.82572%0.724SS**  trans-7.8130.4154.357.70000120.4
181A29.3Very low27.7Very low108 Ų108129.2 Ų129.289%0.89373%0.727SS**  trans-142.594148.900000111
182S25Very low27.1Very low99 Ų99131.2 Ų131.269%0.69274%0.738SS**  trans-86.4136178.255.80000112.8
183I28.5Very low26.8Very low162 Ų162133.2 Ų133.283%0.83175%0.752SS**  trans-165.7119.6149.2-94.2139000105.7
184S25.2Very low26.9Very low95 Ų95135.8 Ų135.866%0.66477%0.766SS**  cis88.18330.9-56.20000116.2
185Q30.2Very low26.7Very low184 Ų184133.8 Ų133.886%0.8676%0.762SS**  trans-168116.1142.5-102.4146.985.600108.1
186S25.6Very low26.8Very low101 Ų101136.9 Ų136.971%0.70677%0.772SS**  65.8114.283.2-169.90000112
187S34.6Very low26.7Very low118 Ų118134.9 Ų134.983%0.82577%0.774SS**  -153.5162.377.8-66.30000114.9
188Q26.3Very low26.9Very low184 Ų184134.9 Ų134.986%0.8678%0.779SS**  trans-94.9142.6-173.3-55.5166.7-3.500112.5
189I30.2Very low27Very low175 Ų175136.2 Ų136.290%0.89779%0.786SS**  trans-133.3142.2137.1-61.4-174000107.8
190K24.8Very low27.3Very low184 Ų184138.9 Ų138.980%0.879%0.787SS**  trans-139.2-179.6-179.6-170175.3178.31800107.7
191L27Very low27.7Very low153 Ų153137.9 Ų137.980%0.80177%0.772SS**  trans90.4138177-50171.3000113.1
192T25.2Very low28.1Very low104 Ų104134.5 Ų134.564%0.63875%0.747SS**  cis-163.6162.2-17.411.20000109.3
193N25.2Very low28.7Very low136 Ų136134.9 Ų134.973%0.72774%0.74SS**  trans28.8135.4137.8-52.43.6000118.9
194N26.2Very low29.5Very low137 Ų137131.2 Ų131.273%0.73373%0.726SS**  cis-168.9157.839.1-127.14.2000113.3
195C23.5Very low30.5Very low94 Ų94130.2 Ų130.264%0.63572%0.715SS**  trans26.6108.9144.7-54.50000121.1
196N26Very low31.5Very low153 Ų153126.6 Ų126.682%0.81870%0.695SS**  166.7116.196.6-86.6-27.8000115.4
197L25.3Very low33.2Very low172 Ų172126.9 Ų126.990%0.90169%0.687SS**  3583.9129.2-157.784000119.4
198S28Very low34.8Very low104 Ų104123 Ų12373%0.72766%0.657SS**  trans-16048156-1690000113.9Q200S198-Q200 VanDerWaalsContact C-N 3.3Å; S198-Q200 PolarHBondContact O-N 3.34Å
199D28.6Very low36.1Very low171 Ų171122.5 Ų122.591%0.91466%0.661SS**  trans-7476.7179.5-62.7-45.4000112.5
200Q31.9Very low37.3Very low165 Ų165120.5 Ų120.577%0.77165%0.651SS**  trans-138.9145.8166.6-72-169.1-13.100110.1S198S198-Q200 VanDerWaalsContact C-N 3.3Å; S198-Q200 PolarHBondContact O-N 3.34Å
201L35Very low38.8Very low97 Ų97114.1 Ų114.151%0.50864%0.638SS.*  trans67.494.8173.5-59.4160.2000114.2I203 T217 T218L201-I203 PolarHBondContact O-N 3.16Å; L201-T217 HydrophobicContact CB-CG2 3.71Å; L201-T217 HydrophobicContact CD2-CG2 3.59Å; L201-T217 HydrophobicContact CG-CG2 4.14Å; L201-T218 CarbonylContact C-O 3.42Å; L201-T218 WeakPolarHBondContact CA-O 3.1Å
202G37.3Very low39.7Very low37 Ų37112.1 Ų112.138%0.38163%0.625SS.*EExtended strand (participates in β ladder)trans-72.297.6171.400000110.4T218G202-T218 PolarHBondContact N-O 3.2Å; G202-T218 PolarHBondContact O-N 2.87Å; G202-T218 PolarHBondContact O-OG1 3.42Å
203I37.8Very low40.6Very low106 Ų106112 Ų11254%0.54462%0.62SS.*EExtended strand (participates in β ladder)trans-86.2117.1176-72.3169.4000109.4L201 I215 I216 T217L201-I203 PolarHBondContact O-N 3.16Å; I203-I215 HydrophobicContact CG2-CG2 3.92Å; I203-I216 WeakPolarHBondContact CA-O 3.29Å; I203-T217 HydrophobicContact CG1-CG2 3.91Å
204T44.7Very low41.6Very low86 Ų86109.6 Ų109.653%0.52860%0.601SS.*EExtended strand (participates in β ladder)trans-110.3116.5168.7-59.20000108.6I216T204-I216 PolarHBondContact N-O 3.49Å; T204-I216 PolarHBondContact O-N 3.42Å
205T47.2Very low42.7Very low73 Ų73108.3 Ų108.345%0.44859%0.593SS.*EExtended strand (participates in β ladder)trans-91130.8167.9-47.90000109.5N213 Y214 I215T205-N213 HydrophobicContact CG2-CB 4.04Å; T205-N213 WeakPolarHBondContact CG2-OD1 3.4Å; T205-Y214 CarbonylContact C-O 3.5Å; T205-Y214 VanDerWaalsContact CA-O 3.26Å; T205-Y214 WeakPolarHBondContact CA-O 3.3Å; T205-I215 HydrophobicContact CG2-CG1 4.21Å
206Y51.8Low43.7Very low109 Ų109107.7 Ų107.743%0.42758%0.583SS.*EExtended strand (participates in β ladder)trans-125.7159.1165.366.9-88.1000110.4N213 Y214 I216Y206-N213 CarbonylContact O-C 3.59Å; Y206-N213 WeakPolarHBondContact O-CA 3.46Å; Y206-Y214 HydrophobicContact CD2-CD2 4Å; Y206-Y214 HydrophobicContact CD2-CG 4.43Å; Y206-Y214 VanDerWaalsContact CE1-CB 3.46Å; Y206-Y214 HydrophobicContact CE1-CG 4.29Å; Y206-Y214 AromaticContact CE2-CD2 3.46Å; Y206-Y214 HydrophobicContact CE2-CD2 3.46Å; Y206-Y214 VanDerWaalsContact CE2-CD2 3.46Å; Y206-Y214 HydrophobicContact CE2-CE2 4.26Å; Y206-Y214 AromaticContact CE2-CG 3.69Å; Y206-Y214 HydrophobicContact CE2-CG 3.69Å; Y206-Y214 AromaticContact CZ-CD2 3.92Å; Y206-Y214 AromaticContact CZ-CG 3.61Å; Y206-Y214 PolarHBondContact N-O 2.97Å; Y206-Y214 PolarHBondContact O-N 3.13Å; Y206-I216 HydrophobicContact CD1-CD1 4.42Å; Y206-I216 HydrophobicContact CE1-CD1 3.64Å; Y206-I216 HydrophobicContact CE1-CG1 3.95Å
207I60.8Low44.3Very low107 Ų107103.7 Ų103.755%0.54956%0.564SS.*EExtended strand (participates in β ladder)trans-117.1132.3179.9-56.6-177.2000107.5Q212I207-Q212 VanDerWaalsContact CA-O 3.31Å; I207-Q212 WeakPolarHBondContact CA-O 3.23Å
208D67.8Low44.9Very low35 Ų3598 Ų9819%0.18754%0.536CS..  trans-84.9174.1172.975.8-8.8000112.5N210 G211 Q212 Y214D208-N210 PolarHBondContact O-N 3.19Å; D208-N210 WeakPolarHBondContact OD1-CA 3.13Å; D208-N210 WeakPolarHBondContact OD1-CB 3.4Å; D208-N210 PolarHBondContact OD1-N 3.18Å; D208-N210 PolarHBondContact OD2-ND2 3.15Å; D208-G211 PolarHBondContact O-N 3.27Å; D208-G211 PolarHBondContact OD1-N 3.4Å; D208-G211 VanDerWaalsContact OD1-N 3.09Å; D208-Q212 PolarHBondContact N-O 2.99Å; D208-Q212 VanDerWaalsContact N-O 3.14Å; D208-Q212 WeakPolarHBondContact OD1-CB 3.31Å; D208-Q212 PolarHBondContact OD1-N 3.18Å; D208-Y214 HydrophobicContact CB-CE2 3.78Å; D208-Y214 PolarHBondContact OD2-OH 3.17Å
209D52.7Low45.2Very low175 Ų17597.4 Ų97.494%0.93653%0.532SS*.THydrogen-bonded Turntrans-62.3-11.5178.3-51.3-49.6000113.5
210N56.4Low45.3Very low132 Ų13299.7 Ų99.771%0.70653%0.53SS*.THydrogen-bonded Turntrans-95.5-0175-49.2-67.5000113D208D208-N210 PolarHBondContact O-N 3.19Å; D208-N210 WeakPolarHBondContact OD1-CA 3.13Å; D208-N210 WeakPolarHBondContact OD1-CB 3.4Å; D208-N210 PolarHBondContact OD1-N 3.18Å; D208-N210 PolarHBondContact OD2-ND2 3.15Å
211G56.3Low45.3Very low50 Ų5096.9 Ų96.952%0.51553%0.528SS..  trans81.17.8-177.700000115.3D208D208-G211 PolarHBondContact O-N 3.27Å; D208-G211 PolarHBondContact OD1-N 3.4Å; D208-G211 VanDerWaalsContact OD1-N 3.09Å
212Q46Very low45.1Very low112 Ų112100.2 Ų100.252%0.52355%0.547SS..  trans-77.9126.4179.4-61.4-163.92400111.2I207 D208 Y214I207-Q212 VanDerWaalsContact CA-O 3.31Å; I207-Q212 WeakPolarHBondContact CA-O 3.23Å; D208-Q212 PolarHBondContact N-O 2.99Å; D208-Q212 VanDerWaalsContact N-O 3.14Å; D208-Q212 WeakPolarHBondContact OD1-CB 3.31Å; D208-Q212 PolarHBondContact OD1-N 3.18Å; Q212-Y214 HydrophobicContact CB-CD2 4.41Å; Q212-Y214 HydrophobicContact CB-CE2 3.69Å; Q212-Y214 VanDerWaalsContact O-CD2 3.26Å; Q212-Y214 WeakPolarHBondContact O-CD2 3.19Å; Q212-Y214 WeakPolarHBondContact O-CE2 3.29Å
213N43.7Very low44.7Very low102 Ų102107.5 Ų107.555%0.54557%0.571SS.*EExtended strand (participates in β ladder)trans-84.5115.6175.2-80.4-111.8000110.1T205 Y206T205-N213 HydrophobicContact CG2-CB 4.04Å; T205-N213 WeakPolarHBondContact CG2-OD1 3.4Å; Y206-N213 CarbonylContact O-C 3.59Å; Y206-N213 WeakPolarHBondContact O-CA 3.46Å
214Y45.8Very low44.4Very low84 Ų84108 Ų10833%0.32958%0.584SS.*EExtended strand (participates in β ladder)trans-102.5131.1174.1-62.5-94.8000109.9T205 Y206 D208 Q212T205-Y214 CarbonylContact C-O 3.5Å; T205-Y214 VanDerWaalsContact CA-O 3.26Å; T205-Y214 WeakPolarHBondContact CA-O 3.3Å; Y206-Y214 HydrophobicContact CD2-CD2 4Å; Y206-Y214 HydrophobicContact CD2-CG 4.43Å; Y206-Y214 VanDerWaalsContact CE1-CB 3.46Å; Y206-Y214 HydrophobicContact CE1-CG 4.29Å; Y206-Y214 AromaticContact CE2-CD2 3.46Å; Y206-Y214 HydrophobicContact CE2-CD2 3.46Å; Y206-Y214 VanDerWaalsContact CE2-CD2 3.46Å; Y206-Y214 HydrophobicContact CE2-CE2 4.26Å; Y206-Y214 AromaticContact CE2-CG 3.69Å; Y206-Y214 HydrophobicContact CE2-CG 3.69Å; Y206-Y214 AromaticContact CZ-CD2 3.92Å; Y206-Y214 AromaticContact CZ-CG 3.61Å; Y206-Y214 PolarHBondContact N-O 2.97Å; Y206-Y214 PolarHBondContact O-N 3.13Å; D208-Y214 HydrophobicContact CB-CE2 3.78Å; D208-Y214 PolarHBondContact OD2-OH 3.17Å; Q212-Y214 HydrophobicContact CB-CD2 4.41Å; Q212-Y214 HydrophobicContact CB-CE2 3.69Å; Q212-Y214 VanDerWaalsContact O-CD2 3.26Å; Q212-Y214 WeakPolarHBondContact O-CD2 3.19Å; Q212-Y214 WeakPolarHBondContact O-CE2 3.29Å
215I49.2Very low43.9Very low110 Ų110113.8 Ų113.856%0.56460%0.602SS**EExtended strand (participates in β ladder)trans-106.7109.4177.2-73.7166.6000108.9I203 T205I203-I215 HydrophobicContact CG2-CG2 3.92Å; T205-I215 HydrophobicContact CG2-CG1 4.21Å
216I45.8Very low43.1Very low81 Ų81118 Ų11842%0.41562%0.621SS.*EExtended strand (participates in β ladder)trans-93.5126.6167.7-70.5177000108.4I203 T204 Y206 T218I203-I216 WeakPolarHBondContact CA-O 3.29Å; T204-I216 PolarHBondContact N-O 3.49Å; T204-I216 PolarHBondContact O-N 3.42Å; Y206-I216 HydrophobicContact CD1-CD1 4.42Å; Y206-I216 HydrophobicContact CE1-CD1 3.64Å; Y206-I216 HydrophobicContact CE1-CG1 3.95Å; I216-T218 HydrophobicContact CG2-CG2 4.18Å
217T38.7Very low42.2Very low69 Ų69122.3 Ų122.342%0.42364%0.642SS.*EExtended strand (participates in β ladder)trans-115.7111.9-178.3-52.20000110.3L201 I203L201-T217 HydrophobicContact CB-CG2 3.71Å; L201-T217 HydrophobicContact CD2-CG2 3.59Å; L201-T217 HydrophobicContact CG-CG2 4.14Å; I203-T217 HydrophobicContact CG1-CG2 3.91Å
218T37.9Very low40.9Very low52 Ų52126.1 Ų126.132%0.31966%0.657SS.*EExtended strand (participates in β ladder)trans-100.3136.7-17958.10000111.8L201 G202 I216L201-T218 CarbonylContact C-O 3.42Å; L201-T218 WeakPolarHBondContact CA-O 3.1Å; G202-T218 PolarHBondContact N-O 3.2Å; G202-T218 PolarHBondContact O-N 2.87Å; G202-T218 PolarHBondContact O-OG1 3.42Å; I216-T218 HydrophobicContact CG2-CG2 4.18Å
219S34.5Very low39.4Very low92 Ų92134.7 Ų134.764%0.64369%0.693SS**  trans-124.5120.2174.257.20000110.8
220Y30.6Very low38.3Very low220 Ų220134.5 Ų134.586%0.86369%0.686SS**  trans-95.1139.3171.5-83.7-92.1000110
221S32.2Very low37.3Very low106 Ų106137.4 Ų137.474%0.74170%0.695SS**  trans-135.4145.5172.6-73.10000109.4
222N30.7Very low36.2Very low167 Ų167143.1 Ų143.189%0.89371%0.709SS**  trans77.971.6-174-52.9-36.3000116.7
223Q27.7Very low35.4Very low189 Ų189143.9 Ų143.988%0.88372%0.715SS**  trans-101.9113.3149.5-72.8-168.615.400110.1
224S31.9Very low34.7Very low118 Ų118147.7 Ų147.783%0.82573%0.729SS**  trans-170.170.3163.5-85.70000112.8
225K34Very low34Very low207 Ų207151.3 Ų151.390%0.975%0.754SS**SBendtrans158.772.8152.9-90.4167.4178.8-178.30111.5
226L30.6Very low33.1Very low162 Ų162150.8 Ų150.885%0.84876%0.758SS**  trans-160.5101.4159.5-114.2147.5000109.9
227K33.5Very low32.3Very low199 Ų199158.5 Ų158.587%0.86578%0.782SS**  trans-148.1139169-97-169.3175.1-178.70107.1
228Q33.8Very low31.9Very low186 Ų186163.3 Ų163.387%0.86980%0.803SS**SBendtrans67.3132.8-157.2-46.5174.611.100110.2
229K35Very low31.5Very low215 Ų215167.5 Ų167.594%0.93582%0.819SS**  cis-136.3138.79.1-174.2-178.3179.7-1730108.1
230Q30Very low31.2Very low172 Ų172170.4 Ų170.480%0.80483%0.827SS**  trans-138.6121.2-172.6-174.4178.331.800112.6
231Q35.1Very low31.1Very low192 Ų192166.7 Ų166.790%0.89782%0.822SS**  trans165.2136.1166.7-94.9158.918.300104.2
232H33.2Very low30.9Very low171 Ų171169.4 Ų169.479%0.79282%0.82SS**  cis-121.8179.99.1-164.1-94.9000111.2
233I29.5Very low30.7Very low127 Ų127167.8 Ų167.865%0.65181%0.811SS**  trans-128.5142.9-172.3-61.9165.4000110.4
234Q29.7Very low30.7Very low182 Ų182163.7 Ų163.785%0.8580%0.802SS**  trans168.199.2137-93.2160.5300113.5
235D31Very low30.3Very low161 Ų161164.5 Ų164.586%0.86180%0.797SS**  -174.9139.8128.3-152.23000109.7
236P30.1Very low30.2Very low98 Ų98162.9 Ų162.964%0.63679%0.793SS**  trans-117.5113.1-173.536.1-22.3000115.5
237R29Very low30Very low244 Ų244162.2 Ų162.292%0.92179%0.789SS**  trans-171105.6146.8-111.5161.8-77-164.1-0.6111.7
238I30.8Very low29.8Very low169 Ų169158.9 Ų158.987%0.86778%0.78SS**  trans-106.4142.2174-69.5178.2000109.9L240I238-L240 PolarHBondContact O-N 3.48Å
239E27.8Very low29.6Very low141 Ų141157 Ų15766%0.65978%0.776SS**  trans-62123.4-177.7-59.6175.716600112.8N241E239-N241 PolarHBondContact O-N 3.49Å
240L30.2Very low29.5Very low152 Ų152154.9 Ų154.980%0.79678%0.775SS**  trans-93.386.7165.4-78.1178.7000110.8I238 F242I238-L240 PolarHBondContact O-N 3.48Å; L240-F242 HydrophobicContact CD2-CD2 4.33Å; L240-F242 HydrophobicContact CD2-CE2 4.27Å; L240-F242 PolarHBondContact O-N 3.32Å; L240-F242 VanDerWaalsContact O-N 3.15Å
241N26.5Very low29.5Very low143 Ų143150.5 Ų150.577%0.76577%0.768SS**  trans-71.998.7162.7-81.7-72.3000109.4E239E239-N241 PolarHBondContact O-N 3.49Å
242F29.3Very low29.2Very low162 Ų162150.7 Ų150.771%0.71177%0.771SS**  trans-108.7121.3173.2-109-82.1000112.8L240L240-F242 HydrophobicContact CD2-CD2 4.33Å; L240-F242 HydrophobicContact CD2-CE2 4.27Å; L240-F242 PolarHBondContact O-N 3.32Å; L240-F242 VanDerWaalsContact O-N 3.15Å
243L25.4Very low28.9Very low133 Ų133150.2 Ų150.270%0.69677%0.773SS**  trans-77119.3171.9-178.475.1000109.1Y714L243-Y714 WeakPolarHBondContact CD1-OH 3.41Å
244C28.1Very low28.9Very low103 Ų103148.8 Ų148.870%0.69677%0.774SS**  trans-128.2105.1169.5-167.10000110.9
245N24.7Very low28.7Very low136 Ų136145 Ų14573%0.72777%0.768SS**  trans-87.8119.5153-81.1-33.5000106.8
246Q30.5Very low28.7Very low173 Ų173143 Ų14381%0.80877%0.767SS**  trans-140.8129160.9-161.6159.382.800111.3
247I26.5Very low28.4Very low148 Ų148147.2 Ų147.276%0.75978%0.775SS**  trans-93.2139.2176.4-70.4166.1000107.6
248N29.2Very low28.3Very low129 Ų129142.1 Ų142.169%0.6977%0.766SS**  trans61.1128.4172.5-65.6-14.8000117.5
249N31Very low28.3Very low145 Ų145141.5 Ų141.578%0.77577%0.765SS**  -170.511195.4-92.1-45.5000113.1
250N31.4Very low28.1Very low171 Ų171144.3 Ų144.391%0.91477%0.771SS**  trans-109.191.8141.3-78.3-28.5000104.9
251A30.3Very low27.9Very low80 Ų80143.1 Ų143.166%0.66177%0.766SS**  74.378.477.500000114.2
252M29.2Very low28Very low196 Ų196142.1 Ų142.197%0.96676%0.76SS**  -162.1157.1124-106.3-176.5-177.300112.2
253I27.9Very low28Very low162 Ų162140.7 Ų140.783%0.83176%0.76SS**  trans-121.4148.5-164.3-58157.9000105.8
254S28Very low28.1Very low96 Ų96140.6 Ų140.667%0.67176%0.759SS**  -170.9164.154.6-1600000114.6
255S26Very low28.1Very low103 Ų103142 Ų14272%0.7276%0.76SS**  trans19.6136.414561.50000120.4
256S30.1Very low28.4Very low120 Ų120141.9 Ų141.984%0.83976%0.759SS**  -157.9164.358.8-171.60000114.6
257F24.7Very low28.4Very low185 Ų185137.6 Ų137.681%0.81175%0.748SS**  trans-92.3170.3174.7-111.3-106.3000113.1
258N26.2Very low28.4Very low137 Ų137137.4 Ų137.473%0.73375%0.748SS**  trans73.5147.8172.8-54-17000114.9
259D31Very low28.5Very low156 Ų156142.5 Ų142.583%0.83476%0.758SS**  cis-136.8175.223.2-124.3-45.4000116.2
260Y24.5Very low28.3Very low200 Ų200141.1 Ų141.178%0.78476%0.755SS**  trans-92.7163.3-169.4-117.9-92.5000115.5
261N25.1Very low28.3Very low128 Ų128139 Ų13968%0.68475%0.749SS**  trans67.4148156.8-74.3-36.8000117.6
262N28.5Very low28.2Very low122 Ų122143.9 Ų143.965%0.65276%0.757SS**  cis-167.6168.227.4-129.7-27.4000113.1
263N29.6Very low28.3Very low132 Ų132140.6 Ų140.671%0.70675%0.749SS**  trans66.6127.2165.7-60.3-41.6000119.1
264I27Very low28.4Very low131 Ų131141.8 Ų141.867%0.67275%0.751SS**  cis95134.619-52.6163.5000114.7
265N30Very low28.3Very low133 Ų133144.4 Ų144.471%0.71176%0.756SS**  trans76.5152177-59.7-44000116.2
266N29.5Very low28.4Very low133 Ų133145.1 Ų145.171%0.71176%0.758SS**  cis-172.2166-13.4-110.6-31.8000109.3
267S31.3Very low28.1Very low82 Ų82143.9 Ų143.957%0.57375%0.75SS**  cis-167.4155-16.7-133.70000112
268N26.6Very low28.2Very low145 Ų145142.3 Ų142.378%0.77575%0.749SS**  trans37.7125.2147.2-57.7-22.7000124.2
269R30Very low28.2Very low235 Ų235141.1 Ų141.189%0.88775%0.747SS**  174.8115.5126.8-96.3-171.6167.9-147.6-6.2109.5
270T27.5Very low28Very low117 Ų117140.3 Ų140.372%0.71874%0.743SS**  78.4102.554.567.80000116.8
271T32Very low28.1Very low127 Ų127136.3 Ų136.378%0.77974%0.743SS**  trans178.1106138.331.50000107.5
272E27.7Very low28.2Very low181 Ų181136.8 Ų136.885%0.84674%0.744SS**  69.611493.2-74.3-169122.200116.3
273T31.3Very low28Very low128 Ų128135.7 Ų135.779%0.78575%0.746SS**  -177.6114.8126.7-75.10000112.5
274Q30.2Very low28Very low186 Ų186137.3 Ų137.387%0.86975%0.749SS**  trans62.9139.9152.2-66177.224.500124.1
275L25.8Very low28Very low151 Ų151135.6 Ų135.679%0.79175%0.749SS**  trans-76.6178.6171.7-11375.8000111.5
276P28.1Very low27.8Very low118 Ų118137.7 Ų137.777%0.76675%0.752SS**  cis-140.6157.432.240.5-20.9000119.8
277S23.8Very low27.6Very low95 Ų95138 Ų13866%0.66475%0.753SS**  trans-89.6148.3152.950.20000111.2
278L27.4Very low27.4Very low151 Ų151139.1 Ų139.179%0.79176%0.761SS**  trans169.6108.1161.8-92.4156.9000105.1
279T25.6Very low27.4Very low113 Ų113137.8 Ų137.869%0.69376%0.758SS**  54.7140.372.766.50000116.3
280N27.1Very low27.3Very low138 Ų138134.1 Ų134.174%0.73876%0.756SS**  trans90.5135.3-168.3-52.5-18.2000112.9
281C26.9Very low27.4Very low117 Ų117134.6 Ų134.679%0.79175%0.753SS**  cis-116.7154.1-3.8-63.40000109.2
282I26.5Very low27.1Very low138 Ų138135.1 Ų135.171%0.70875%0.748SS**  cis78.1105.240.2-59.6176000113.5
283S25Very low27.1Very low98 Ų98132.7 Ų132.769%0.68575%0.746SS**  trans46.7121.1157.363.50000122.2
284E28.5Very low26.9Very low167 Ų167132.2 Ų132.278%0.7875%0.748SS**  -172.5106109.8-97.1176.7-157.900107.2
285S27Very low26.9Very low94 Ų94129.1 Ų129.166%0.65775%0.747SS**  5398.377.172.60000115.6
286F26.7Very low27.1Very low177 Ų177126.8 Ų126.878%0.77674%0.744SS**  trans-154.1128.6133.1-104.6-68.6000111.8L608F286-L608 HydrophobicContact CD2-CD1 4.38Å; F286-L608 HydrophobicContact CE2-CD1 4.16Å
287L25.3Very low27.4Very low140 Ų140128 Ų12873%0.73374%0.742SS**  trans-104.4127.6166.9-81164.7000109.1
288S26.6Very low28.2Very low106 Ų106127.8 Ų127.874%0.74173%0.734SS**  trans-169.9111.2155.1-70.90000104.9
289T27.5Very low28.9Very low116 Ų116125.6 Ų125.671%0.71273%0.73SS**  4978.852.2720000113.6
290D27.9Very low29.9Very low158 Ų158123.9 Ų123.985%0.84572%0.72SS**  -155.6166.5122.3-89-38.1000108.9
291L28.1Very low30.9Very low128 Ų128121.3 Ų121.367%0.6771%0.709SS**  -175.4132.2-60.6-160.376.1000103.8
292M26.9Very low31.9Very low137 Ų137118.3 Ų118.368%0.67569%0.693SS**  trans65.1129.8166.2-48.7-132.1-177.800117.2
293T26.2Very low33.2Very low131 Ų131112.6 Ų112.680%0.80467%0.666SS**  cis-147.4116.110.751.70000112.8
294S27.2Very low34.6Very low118 Ų118109.4 Ų109.483%0.82565%0.646SS**  trans-154.2119.1155.8570000110.7
295S29.8Very low36.1Very low121 Ų121104.5 Ų104.585%0.84663%0.63SS**  trans-90.6129-174.856.80000112.1
296S31Very low37.7Very low102 Ų102104.9 Ų104.971%0.71363%0.625SS**  trans61.684.3179.1-86.40000116.4
297I35.1Very low39.6Very low142 Ų14297.4 Ų97.473%0.72859%0.593SS**  trans-108118.6132.9-68.5175.4000105.7V301I297-V301 HydrophobicContact CG2-CB 4.31Å
298D39.5Very low41.6Very low92 Ų9297.1 Ų97.149%0.49259%0.59SS.*  trans-68.2144.4-174.7-60.9-69.7000112.2T300 V301D298-T300 PolarHBondContact O-N 3.08Å; D298-T300 VanDerWaalsContact O-N 3.12Å; D298-V301 HydrophobicContact CB-CG2 4.41Å; D298-V301 WeakPolarHBondContact O-CB 3.31Å; D298-V301 PolarHBondContact O-N 3.4Å
299S41.7Very low43.7Very low104 Ų10494.9 Ų94.973%0.72758%0.575SS**Hα-helixtrans-56.6-27.2172530000112.3V301 A302 A303S299-V301 VanDerWaalsContact C-N 3.3Å; S299-V301 PolarHBondContact O-N 3.06Å; S299-A302 PolarHBondContact O-N 3.08Å; S299-A303 WeakPolarHBondContact O-CB 3.38Å; S299-A303 PolarHBondContact O-N 3.14Å
300T46.8Very low45.6Very low78 Ų7891.3 Ų91.348%0.47955%0.548SS..Hα-helixtrans-56.4-38.4169.9-46.30000112.9D298 A304D298-T300 PolarHBondContact O-N 3.08Å; D298-T300 VanDerWaalsContact O-N 3.12Å; T300-A304 WeakPolarHBondContact O-CB 3.38Å; T300-A304 PolarHBondContact O-N 3.02Å
301V48.9Very low47.7Very low83 Ų8386.8 Ų86.850%0.50352%0.524SS..Hα-helixtrans-73.7-41.3-179.4-179.30000110.8I297 D298 S299 A304 S305I297-V301 HydrophobicContact CG2-CB 4.31Å; D298-V301 HydrophobicContact CB-CG2 4.41Å; D298-V301 WeakPolarHBondContact O-CB 3.31Å; D298-V301 PolarHBondContact O-N 3.4Å; S299-V301 VanDerWaalsContact C-N 3.3Å; S299-V301 PolarHBondContact O-N 3.06Å; V301-A304 PolarHBondContact O-N 3.15Å; V301-S305 WeakPolarHBondContact O-CB 3.19Å; V301-S305 PolarHBondContact O-N 2.94Å
302A46.5Very low49.7Very low54 Ų5490.9 Ų90.945%0.44653%0.532SS..Hα-helixtrans-64.1-43.1174.100000111.6S299 S305 N306S299-A302 PolarHBondContact O-N 3.08Å; A302-S305 PolarHBondContact O-N 3.49Å; A302-N306 PolarHBondContact O-N 3.4Å
303A53.9Low51.9Low19 Ų1991.8 Ų91.816%0.15753%0.534CS..Hα-helixtrans-62.4-45.9174.100000112S299 S305 N306 V307S299-A303 WeakPolarHBondContact O-CB 3.38Å; S299-A303 PolarHBondContact O-N 3.14Å; A303-S305 VanDerWaalsContact C-N 3.34Å; A303-S305 PolarHBondContact O-N 3.45Å; A303-N306 PolarHBondContact O-N 2.83Å; A303-V307 WeakPolarHBondContact O-CB 3.22Å; A303-V307 WeakPolarHBondContact O-CG2 3.37Å; A303-V307 PolarHBondContact O-N 2.96Å
304A54.6Low54Low31 Ų3189.6 Ų89.626%0.25652%0.518SS..Hα-helixtrans-63.7-37.3176.800000112.5T300 V301 V307 M308T300-A304 WeakPolarHBondContact O-CB 3.38Å; T300-A304 PolarHBondContact O-N 3.02Å; V301-A304 PolarHBondContact O-N 3.15Å; A304-V307 PolarHBondContact O-N 3.47Å; A304-M308 WeakPolarHBondContact O-CB 3.5Å; A304-M308 PolarHBondContact O-N 2.92Å
305S59.9Low55.9Low64 Ų6485.7 Ų85.745%0.44850%0.496SS..Hα-helixtrans-62.7-47.9173.1-170.90000111.2V301 A302 A303 V307 M308 S309V301-S305 WeakPolarHBondContact O-CB 3.19Å; V301-S305 PolarHBondContact O-N 2.94Å; A302-S305 PolarHBondContact O-N 3.49Å; A303-S305 VanDerWaalsContact C-N 3.34Å; A303-S305 PolarHBondContact O-N 3.45Å; S305-V307 PolarHBondContact O-N 3.17Å; S305-M308 PolarHBondContact O-N 3.5Å; S305-S309 PolarHBondContact O-N 3.08Å; S305-S309 PolarHBondContact O-OG 3.38Å; S305-S309 VanDerWaalsContact O-OG 3.12Å
306N60.9Low57.5Low102 Ų10285 Ų8555%0.54549%0.491SS..Hα-helixtrans-64.2-39.5178.4-70.3-11.4000112.1A302 A303 S309 Y310A302-N306 PolarHBondContact O-N 3.4Å; A303-N306 PolarHBondContact O-N 2.83Å; N306-S309 PolarHBondContact O-N 3.01Å; N306-Y310 WeakPolarHBondContact O-CB 3.49Å; N306-Y310 PolarHBondContact O-N 3.19Å
307V66.6Low58.9Low19 Ų1983.1 Ų83.112%0.11547%0.473CS..Hα-helixtrans-67.7-42.3175.5170.50000111.3A303 A304 S305 Y310 I311 L331A303-V307 WeakPolarHBondContact O-CB 3.22Å; A303-V307 WeakPolarHBondContact O-CG2 3.37Å; A303-V307 PolarHBondContact O-N 2.96Å; A304-V307 PolarHBondContact O-N 3.47Å; S305-V307 PolarHBondContact O-N 3.17Å; V307-Y310 PolarHBondContact O-N 3.34Å; V307-I311 HydrophobicContact CG1-CD1 3.76Å; V307-I311 HydrophobicContact CG1-CG1 4.43Å; V307-I311 VanDerWaalsContact O-CG1 3.3Å; V307-I311 WeakPolarHBondContact O-CG1 3.11Å; V307-I311 PolarHBondContact O-N 3.26Å; V307-L331 HydrophobicContact CG2-CD1 3.87Å; V307-L331 HydrophobicContact CG2-CD2 4.27Å; V307-L331 HydrophobicContact CG2-CG 4.15Å
308M67.9Low60Low134 Ų13481.9 Ų81.966%0.6647%0.467SS*.Hα-helixtrans-63.3-41.7172.8-81.2-138.5-68.500112.1A304 S305 Y310 I311 Y312A304-M308 WeakPolarHBondContact O-CB 3.5Å; A304-M308 PolarHBondContact O-N 2.92Å; S305-M308 PolarHBondContact O-N 3.5Å; M308-Y310 VanDerWaalsContact C-N 3.31Å; M308-Y310 PolarHBondContact O-N 2.93Å; M308-I311 PolarHBondContact O-N 3.26Å; M308-Y312 VanDerWaalsContact O-CB 3.26Å; M308-Y312 WeakPolarHBondContact O-CB 3.36Å; M308-Y312 PolarHBondContact O-N 3.27Å
309S70.6Confident60.4Low60 Ų6086.2 Ų86.242%0.4248%0.478SS..Hα-helixtrans-61.1-39.3173.6-63.50000112.2S305 N306 Y312 Q313S305-S309 PolarHBondContact O-N 3.08Å; S305-S309 PolarHBondContact O-OG 3.38Å; S305-S309 VanDerWaalsContact O-OG 3.12Å; N306-S309 PolarHBondContact O-N 3.01Å; S309-Y312 PolarHBondContact O-N 3.32Å; S309-Q313 WeakPolarHBondContact O-CB 3.35Å; S309-Q313 WeakPolarHBondContact O-CG 3.36Å; S309-Q313 PolarHBondContact O-N 3.48Å
310Y67.8Low60.9Low40 Ų4083.2 Ų83.216%0.15746%0.464CS..Hα-helixtrans-66.2-43.5175.6-167.6-85.6000112.2N306 V307 M308 Y312 Q313 N314 L317 Q324 L325 L328N306-Y310 WeakPolarHBondContact O-CB 3.49Å; N306-Y310 PolarHBondContact O-N 3.19Å; V307-Y310 PolarHBondContact O-N 3.34Å; M308-Y310 VanDerWaalsContact C-N 3.31Å; M308-Y310 PolarHBondContact O-N 2.93Å; Y310-Y312 VanDerWaalsContact C-N 3.34Å; Y310-Q313 PolarHBondContact O-N 2.91Å; Y310-N314 HydrophobicContact CD1-CB 4.24Å; Y310-N314 WeakPolarHBondContact CD2-ND2 3.48Å; Y310-N314 HydrophobicContact CE1-CB 4Å; Y310-N314 WeakPolarHBondContact CE2-ND2 3.33Å; Y310-N314 WeakPolarHBondContact O-CB 3.46Å; Y310-N314 PolarHBondContact O-N 3.11Å; Y310-N314 PolarHBondContact O-ND2 3.32Å; Y310-L317 HydrophobicContact CD1-CD2 4.11Å; Y310-L317 HydrophobicContact CE1-CD2 4.27Å; Y310-Q324 PolarHBondContact OH-OE1 3.44Å; Y310-L325 HydrophobicContact CD1-CD1 3.93Å; Y310-L325 HydrophobicContact CD1-CD2 4.06Å; Y310-L325 HydrophobicContact CD1-CG 4.14Å; Y310-L325 HydrophobicContact CD2-CD2 3.84Å; Y310-L325 HydrophobicContact CE1-CD1 4.04Å; Y310-L325 HydrophobicContact CE1-CD2 4.21Å; Y310-L325 HydrophobicContact CE1-CG 3.96Å; Y310-L325 HydrophobicContact CE2-CD2 3.98Å; Y310-L325 HydrophobicContact CE2-CG 4.43Å; Y310-L325 HydrophobicContact CG-CD1 4.48Å; Y310-L325 HydrophobicContact CG-CD2 3.87Å; Y310-L325 HydrophobicContact CG-CG 4.46Å; Y310-L328 HydrophobicContact CE2-CD1 4.48Å
311I72Confident61.3Low64 Ų6481.3 Ų81.333%0.32845%0.451SS..Hα-helixtrans-65.6-38176.4-68.7167.2000110.9V307 M308 Q313 G315 L317V307-I311 HydrophobicContact CG1-CD1 3.76Å; V307-I311 HydrophobicContact CG1-CG1 4.43Å; V307-I311 VanDerWaalsContact O-CG1 3.3Å; V307-I311 WeakPolarHBondContact O-CG1 3.11Å; V307-I311 PolarHBondContact O-N 3.26Å; M308-I311 PolarHBondContact O-N 3.26Å; I311-Q313 VanDerWaalsContact C-N 3.31Å; I311-Q313 PolarHBondContact O-N 2.92Å; I311-G315 WeakPolarHBondContact CA-O 3.37Å; I311-G315 CarbonylContact O-C 3.56Å; I311-G315 VanDerWaalsContact O-CA 3.25Å; I311-G315 WeakPolarHBondContact O-CA 3.45Å; I311-G315 PolarHBondContact O-N 2.84Å; I311-L317 HydrophobicContact CD1-CD1 4.12Å; I311-L317 HydrophobicContact CD1-CG 4.15Å; I311-L317 HydrophobicContact CG1-CD1 4.32Å; I311-L317 HydrophobicContact CG1-CD2 3.98Å; I311-L317 HydrophobicContact CG1-CG 3.94Å
312Y70.4Confident61.8Low214 Ų21478.9 Ų78.984%0.83944%0.436SS*.Hα-helixtrans-69-28.4177.7-159.4-87.8000112.8M308 S309 Y310M308-Y312 VanDerWaalsContact O-CB 3.26Å; M308-Y312 WeakPolarHBondContact O-CB 3.36Å; M308-Y312 PolarHBondContact O-N 3.27Å; S309-Y312 PolarHBondContact O-N 3.32Å; Y310-Y312 VanDerWaalsContact C-N 3.34Å
313Q71.8Confident62.4Low156 Ų15681.5 Ų81.573%0.72944%0.439SS*.Hα-helixtrans-88.8-37176.4-72.7179.2-700113.7S309 Y310 I311S309-Q313 WeakPolarHBondContact O-CB 3.35Å; S309-Q313 WeakPolarHBondContact O-CG 3.36Å; S309-Q313 PolarHBondContact O-N 3.48Å; Y310-Q313 PolarHBondContact O-N 2.91Å; I311-Q313 VanDerWaalsContact C-N 3.31Å; I311-Q313 PolarHBondContact O-N 2.92Å
314N70.6Confident62.5Low85 Ų8585.7 Ų85.746%0.45546%0.456SS..Hα-helixtrans-1161.1-168.4-57.2-59.7000114.4Y310Y310-N314 HydrophobicContact CD1-CB 4.24Å; Y310-N314 WeakPolarHBondContact CD2-ND2 3.48Å; Y310-N314 HydrophobicContact CE1-CB 4Å; Y310-N314 WeakPolarHBondContact CE2-ND2 3.33Å; Y310-N314 WeakPolarHBondContact O-CB 3.46Å; Y310-N314 PolarHBondContact O-N 3.11Å; Y310-N314 PolarHBondContact O-ND2 3.32Å
315G68.5Low62.7Low36 Ų3684.6 Ų84.637%0.37145%0.446SS..  trans78.1-165.8-178.100000114.1I311I311-G315 WeakPolarHBondContact CA-O 3.37Å; I311-G315 CarbonylContact O-C 3.56Å; I311-G315 VanDerWaalsContact O-CA 3.25Å; I311-G315 WeakPolarHBondContact O-CA 3.45Å; I311-G315 PolarHBondContact O-N 2.84Å
316S62.4Low62.6Low107 Ų10786.5 Ų86.575%0.74845%0.446SS*.SBendtrans-64149.7-176.5-165.80000112.8N318 N321S316-N318 PolarHBondContact O-N 3.49Å; S316-N321 PolarHBondContact O-ND2 3Å
317L60.5Low62.4Low61 Ų6188 Ų8832%0.31945%0.453SS..  trans-7991-174.7-62-176.5000112Y310 I311 N321 T322 L325Y310-L317 HydrophobicContact CD1-CD2 4.11Å; Y310-L317 HydrophobicContact CE1-CD2 4.27Å; I311-L317 HydrophobicContact CD1-CD1 4.12Å; I311-L317 HydrophobicContact CD1-CG 4.15Å; I311-L317 HydrophobicContact CG1-CD1 4.32Å; I311-L317 HydrophobicContact CG1-CD2 3.98Å; I311-L317 HydrophobicContact CG1-CG 3.94Å; L317-N321 HydrophobicContact CD2-CB 4.36Å; L317-T322 HydrophobicContact CB-CG2 4.06Å; L317-L325 HydrophobicContact CD1-CD1 4.11Å; L317-L325 HydrophobicContact CD2-CD1 3.63Å
318N58.4Low61.7Low116 Ų11691.8 Ų91.862%0.6247%0.473SS*.  trans-73.9164.8166.9-163.7-2.5000111.2S316 G320 N321 T322S316-N318 PolarHBondContact O-N 3.49Å; N318-G320 VanDerWaalsContact C-N 3.32Å; N318-G320 PolarHBondContact O-N 3.22Å; N318-N321 PolarHBondContact N-ND2 3.09Å; N318-N321 WeakPolarHBondContact O-CA 3.42Å; N318-N321 VanDerWaalsContact O-CB 3.27Å; N318-N321 WeakPolarHBondContact O-CB 3.38Å; N318-N321 PolarHBondContact O-N 3.3Å; N318-T322 PolarHBondContact O-N 3.05Å; N318-T322 VanDerWaalsContact O-N 3.1Å
319Y47.7Very low60.9Low183 Ų18392.9 Ų92.972%0.71848%0.481SS*.Hα-helixtrans-53.9-43.2-174.9-157.1-88.7000112.9N321 T322 E323Y319-N321 VanDerWaalsContact C-N 3.35Å; Y319-N321 PolarHBondContact O-N 3.44Å; Y319-T322 PolarHBondContact O-N 3.11Å; Y319-T322 PolarHBondContact O-OG1 2.92Å; Y319-E323 PolarHBondContact O-N 3.49Å
320G51.7Low59.6Low42 Ų4293.3 Ų93.343%0.43348%0.483SS..Hα-helixtrans-66.4-31.9174.600000114.1N318 T322 E323 Q324N318-G320 VanDerWaalsContact C-N 3.32Å; N318-G320 PolarHBondContact O-N 3.22Å; G320-T322 VanDerWaalsContact C-N 3.32Å; G320-E323 PolarHBondContact O-N 2.93Å; G320-Q324 PolarHBondContact O-N 3.42Å
321N55.8Low58.4Low38 Ų3892.8 Ų92.820%0.20348%0.483CS..Hα-helixtrans-69.9-34.5178.5-47.417000110.2S316 L317 N318 Y319 Q324 L325S316-N321 PolarHBondContact O-ND2 3Å; L317-N321 HydrophobicContact CD2-CB 4.36Å; N318-N321 PolarHBondContact N-ND2 3.09Å; N318-N321 WeakPolarHBondContact O-CA 3.42Å; N318-N321 VanDerWaalsContact O-CB 3.27Å; N318-N321 WeakPolarHBondContact O-CB 3.38Å; N318-N321 PolarHBondContact O-N 3.3Å; Y319-N321 VanDerWaalsContact C-N 3.35Å; Y319-N321 PolarHBondContact O-N 3.44Å; N321-Q324 PolarHBondContact O-N 3.21Å; N321-L325 PolarHBondContact O-N 3.44Å; N321-L325 VanDerWaalsContact O-N 3.14Å
322T58.6Low57.3Low32 Ų3294.3 Ų94.320%0.19649%0.492CS..Hα-helixtrans-71.9-25.6176.9680000113.4L317 N318 Y319 G320 K326L317-T322 HydrophobicContact CB-CG2 4.06Å; N318-T322 PolarHBondContact O-N 3.05Å; N318-T322 VanDerWaalsContact O-N 3.1Å; Y319-T322 PolarHBondContact O-N 3.11Å; Y319-T322 PolarHBondContact O-OG1 2.92Å; G320-T322 VanDerWaalsContact C-N 3.32Å; T322-K326 VanDerWaalsContact O-CG 3.27Å; T322-K326 WeakPolarHBondContact O-CG 3.39Å; T322-K326 PolarHBondContact O-N 2.94Å; T322-K326 VanDerWaalsContact O-N 3.15Å
323E59.9Low56.1Low109 Ų10989 Ų8951%0.50948%0.477SS..Hα-helixtrans-70.9-41.9168.8-74.2-144.1127.700112.5Y319 G320 L325 K326 N327Y319-E323 PolarHBondContact O-N 3.49Å; G320-E323 PolarHBondContact O-N 2.93Å; E323-L325 VanDerWaalsContact C-N 3.28Å; E323-L325 PolarHBondContact O-N 3.01Å; E323-K326 WeakPolarHBondContact O-CB 3.28Å; E323-K326 PolarHBondContact O-N 3.22Å; E323-K326 VanDerWaalsContact O-N 3.15Å; E323-N327 PolarHBondContact O-N 2.83Å; E323-N327 PolarHBondContact O-ND2 3.18Å
324Q55.9Low54.8Low106 Ų10685.8 Ų85.850%0.49546%0.458SS..Hα-helixtrans-58-43175.4-67.5172.5-12.300111.2Y310 G320 N321 N327 L328Y310-Q324 PolarHBondContact OH-OE1 3.44Å; G320-Q324 PolarHBondContact O-N 3.42Å; N321-Q324 PolarHBondContact O-N 3.21Å; Q324-N327 PolarHBondContact O-N 2.98Å; Q324-L328 WeakPolarHBondContact O-CG 3.15Å; Q324-L328 PolarHBondContact O-N 2.9Å
325L58.8Low53.9Low9 Ų983.1 Ų83.15%0.04745%0.445CS..Hα-helixtrans-67.3-32.4175.7-80.5174.9000114.4Y310 L317 N321 E323 L331Y310-L325 HydrophobicContact CD1-CD1 3.93Å; Y310-L325 HydrophobicContact CD1-CD2 4.06Å; Y310-L325 HydrophobicContact CD1-CG 4.14Å; Y310-L325 HydrophobicContact CD2-CD2 3.84Å; Y310-L325 HydrophobicContact CE1-CD1 4.04Å; Y310-L325 HydrophobicContact CE1-CD2 4.21Å; Y310-L325 HydrophobicContact CE1-CG 3.96Å; Y310-L325 HydrophobicContact CE2-CD2 3.98Å; Y310-L325 HydrophobicContact CE2-CG 4.43Å; Y310-L325 HydrophobicContact CG-CD1 4.48Å; Y310-L325 HydrophobicContact CG-CD2 3.87Å; Y310-L325 HydrophobicContact CG-CG 4.46Å; L317-L325 HydrophobicContact CD1-CD1 4.11Å; L317-L325 HydrophobicContact CD2-CD1 3.63Å; N321-L325 PolarHBondContact O-N 3.44Å; N321-L325 VanDerWaalsContact O-N 3.14Å; E323-L325 VanDerWaalsContact C-N 3.28Å; E323-L325 PolarHBondContact O-N 3.01Å; L325-L331 HydrophobicContact CB-CD1 3.86Å; L325-L331 HydrophobicContact CD1-CD1 4.07Å; L325-L331 HydrophobicContact CD2-CD1 4.31Å; L325-L331 HydrophobicContact CG-CD1 4.32Å
326K57.8Low52.6Low103 Ų10383.3 Ų83.345%0.44844%0.437SS..Hα-helixtrans-65.9-45.3170.4-72164.4-171.7167.90111.1T322 E323 L328 N329T322-K326 VanDerWaalsContact O-CG 3.27Å; T322-K326 WeakPolarHBondContact O-CG 3.39Å; T322-K326 PolarHBondContact O-N 2.94Å; T322-K326 VanDerWaalsContact O-N 3.15Å; E323-K326 WeakPolarHBondContact O-CB 3.28Å; E323-K326 PolarHBondContact O-N 3.22Å; E323-K326 VanDerWaalsContact O-N 3.15Å; K326-L328 PolarHBondContact O-N 2.89Å; K326-N329 PolarHBondContact O-N 3.15Å
327N57.1Low51.5Low133 Ų13382.1 Ų82.171%0.71142%0.423SS*.Hα-helixtrans-67.7-16.4-177.6-72.8-28.4000114.1E323 Q324E323-N327 PolarHBondContact O-N 2.83Å; E323-N327 PolarHBondContact O-ND2 3.18Å; Q324-N327 PolarHBondContact O-N 2.98Å
328L51.8Low50.6Low100 Ų10085.8 Ų85.852%0.52444%0.438SS..THydrogen-bonded Turntrans-85.5-1.2178.3-74.6166.9000114.5Y310 Q324 K326 C330Y310-L328 HydrophobicContact CE2-CD1 4.48Å; Q324-L328 WeakPolarHBondContact O-CG 3.15Å; Q324-L328 PolarHBondContact O-N 2.9Å; K326-L328 PolarHBondContact O-N 2.89Å; L328-C330 HydrophobicContact CB-CB 4.36Å; L328-C330 PolarHBondContact O-N 2.98Å; L328-C330 PolarHBondContact O-SG 3.24Å
329N51.4Low49.6Very low157 Ų15785.4 Ų85.484%0.8443%0.428SS*.THydrogen-bonded Turntrans57.25.6-170.3-74.8-43.8000115.4K326 L331K326-N329 PolarHBondContact O-N 3.15Å; N329-L331 VanDerWaalsContact C-N 3.26Å; N329-L331 PolarHBondContact O-N 3.33Å
330C43Very low49Very low68 Ų6882.2 Ų82.246%0.45942%0.423SS..  trans-74.9-8.1-176.8-68.70000114.7L328L328-C330 HydrophobicContact CB-CB 4.36Å; L328-C330 PolarHBondContact O-N 2.98Å; L328-C330 PolarHBondContact O-SG 3.24Å
331L43.1Very low48.4Very low29 Ų2985.2 Ų85.215%0.15244%0.438CS..  trans-135.2113.8-173.7-96.5153.1000111.1V307 L325 N329 T335 L336V307-L331 HydrophobicContact CG2-CD1 3.87Å; V307-L331 HydrophobicContact CG2-CD2 4.27Å; V307-L331 HydrophobicContact CG2-CG 4.15Å; L325-L331 HydrophobicContact CB-CD1 3.86Å; L325-L331 HydrophobicContact CD1-CD1 4.07Å; L325-L331 HydrophobicContact CD2-CD1 4.31Å; L325-L331 HydrophobicContact CG-CD1 4.32Å; N329-L331 VanDerWaalsContact C-N 3.26Å; N329-L331 PolarHBondContact O-N 3.33Å; L331-T335 HydrophobicContact CD2-CG2 4.27Å; L331-L336 HydrophobicContact CD2-CG 4.4Å
332N47.8Very low47.4Very low96 Ų9687.7 Ų87.751%0.51345%0.45SS..  trans-69.4134.9166.6-172.1-34.2000108.8R334 T335 L336N332-R334 PolarHBondContact O-N 2.8Å; N332-R334 VanDerWaalsContact O-N 3.13Å; N332-R334 WeakPolarHBondContact OD1-CB 3.29Å; N332-R334 PolarHBondContact OD1-N 3.07Å; N332-T335 WeakPolarHBondContact O-CA 3.25Å; N332-T335 WeakPolarHBondContact O-CB 3.42Å; N332-T335 PolarHBondContact O-N 3.32Å; N332-L336 PolarHBondContact O-N 3.4Å; N332-L336 VanDerWaalsContact O-N 3.09Å
333I45.1Very low46Very low104 Ų10494.3 Ų94.353%0.53348%0.479SS..Hα-helixtrans-54.3-32.9176.6-65.1172.3000111.2T335 L336 N337I333-T335 PolarHBondContact O-N 2.86Å; I333-L336 PolarHBondContact O-N 3.3Å; I333-N337 WeakPolarHBondContact O-CB 3.34Å; I333-N337 PolarHBondContact O-N 2.9Å
334R46Very low44.6Very low87 Ų8795.4 Ų95.433%0.32848%0.483SS..Hα-helixtrans-59.9-41.8172170.3164.9-80148.4-7.4113N332 H338 A1197 S1201N332-R334 PolarHBondContact O-N 2.8Å; N332-R334 VanDerWaalsContact O-N 3.13Å; N332-R334 WeakPolarHBondContact OD1-CB 3.29Å; N332-R334 PolarHBondContact OD1-N 3.07Å; R334-H338 WeakPolarHBondContact O-CB 3.3Å; R334-H338 PolarHBondContact O-N 3.49Å; R334-A1197 VanDerWaalsContact CZ-O 3.26Å; R334-A1197 PolarHBondContact NH1-O 2.98Å; R334-A1197 PolarHBondContact NH2-O 3.18Å; R334-S1201 VanDerWaalsContact NH2-CB 3.31Å; R334-S1201 PolarHBondContact NH2-OG 2.79Å
335T50.9Low43.2Very low30 Ų3096.6 Ų96.618%0.18449%0.492CS..Hα-helixtrans-67.1-44.4176.1-49.50000110.2L331 N332 I333 N337 H338 W339L331-T335 HydrophobicContact CD2-CG2 4.27Å; N332-T335 WeakPolarHBondContact O-CA 3.25Å; N332-T335 WeakPolarHBondContact O-CB 3.42Å; N332-T335 PolarHBondContact O-N 3.32Å; I333-T335 PolarHBondContact O-N 2.86Å; T335-N337 PolarHBondContact O-N 3.3Å; T335-H338 PolarHBondContact O-N 2.82Å; T335-W339 PolarHBondContact O-N 3.37Å
336L41Very low41.8Very low39 Ų39103.3 Ų103.320%0.20453%0.527CS..Hα-helixtrans-62.3-42.1178.7-133.8167.1000111.6L331 N332 I333 W339 N340L331-L336 HydrophobicContact CD2-CG 4.4Å; N332-L336 PolarHBondContact O-N 3.4Å; N332-L336 VanDerWaalsContact O-N 3.09Å; I333-L336 PolarHBondContact O-N 3.3Å; L336-W339 PolarHBondContact O-N 2.98Å; L336-N340 VanDerWaalsContact O-CG 3.22Å; L336-N340 PolarHBondContact O-N 3Å; L336-N340 PolarHBondContact O-ND2 2.98Å
337N38.5Very low40.3Very low82 Ų82104.4 Ų104.444%0.43954%0.538SS..Hα-helixtrans-70-31.5176.2-71.5-3000113I333 T335 N340 S341I333-N337 WeakPolarHBondContact O-CB 3.34Å; I333-N337 PolarHBondContact O-N 2.9Å; T335-N337 PolarHBondContact O-N 3.3Å; N337-N340 PolarHBondContact O-N 3.38Å; N337-S341 PolarHBondContact O-N 2.86Å; N337-S341 VanDerWaalsContact O-N 3.15Å; N337-S341 PolarHBondContact O-OG 2.93Å
338H41.5Very low38.9Very low138 Ų138101.7 Ų101.764%0.63954%0.542SS*.Hα-helixtrans-69.5-35.1173.5-15067.9000111.7R334 T335 S341 L342R334-H338 WeakPolarHBondContact O-CB 3.3Å; R334-H338 PolarHBondContact O-N 3.49Å; T335-H338 PolarHBondContact O-N 2.82Å; H338-S341 PolarHBondContact O-N 3.37Å; H338-L342 PolarHBondContact O-N 2.81Å
339W39.1Very low37.8Very low108 Ų108102.2 Ų102.241%0.40955%0.554SS.*Hα-helixtrans-68.3-37169.3-85.677.6000112.6T335 L336 S341 L342 F344T335-W339 PolarHBondContact O-N 3.37Å; L336-W339 PolarHBondContact O-N 2.98Å; W339-S341 PolarHBondContact O-N 3.43Å; W339-L342 PolarHBondContact O-N 2.88Å; W339-F344 HydrophobicContact CE3-CD2 4.45Å; W339-F344 HydrophobicContact CE3-CE2 4.19Å; W339-F344 HydrophobicContact CH2-CE2 4.26Å; W339-F344 HydrophobicContact CZ3-CD2 4.16Å; W339-F344 AromaticContact CZ3-CE2 3.8Å; W339-F344 HydrophobicContact CZ3-CE2 3.8Å
340N34.8Very low36.6Very low116 Ų116102.2 Ų102.262%0.6255%0.552SS**Hα-helixtrans-69-14.7174.7-66.8-21.8000113.9L336 N337L336-N340 VanDerWaalsContact O-CG 3.22Å; L336-N340 PolarHBondContact O-N 3Å; L336-N340 PolarHBondContact O-ND2 2.98Å; N337-N340 PolarHBondContact O-N 3.38Å
341S38.4Very low35.9Very low105 Ų105105.5 Ų105.573%0.73457%0.565SS**THydrogen-bonded Turntrans-97.60.5169-62.30000113.5N337 H338 W339N337-S341 PolarHBondContact O-N 2.86Å; N337-S341 VanDerWaalsContact O-N 3.15Å; N337-S341 PolarHBondContact O-OG 2.93Å; H338-S341 PolarHBondContact O-N 3.37Å; W339-S341 PolarHBondContact O-N 3.43Å
342L34.5Very low35.3Very low90 Ų90112.7 Ų112.747%0.47160%0.598SS.*  trans-101.688.3171.2-81.9164.1000109.1H338 W339 F344H338-L342 PolarHBondContact O-N 2.81Å; W339-L342 PolarHBondContact O-N 2.88Å; L342-F344 HydrophobicContact CB-CD2 4.19Å; L342-F344 HydrophobicContact CB-CE2 4.08Å; L342-F344 HydrophobicContact CD1-CE2 4.41Å; L342-F344 PolarHBondContact O-N 2.88Å
343E29.1Very low34.3Very low171 Ų171115.9 Ų115.980%0.79961%0.614SS**  trans-63.289.1162.9-74.7-165.1144.800109.7N345E343-N345 PolarHBondContact O-N 3.06Å
344F30.4Very low33.4Very low133 Ų133117.2 Ų117.258%0.58363%0.627SS**  trans-66.989.1162.1-83.9-80.9000108.4W339 L342 L346W339-F344 HydrophobicContact CE3-CD2 4.45Å; W339-F344 HydrophobicContact CE3-CE2 4.19Å; W339-F344 HydrophobicContact CH2-CE2 4.26Å; W339-F344 HydrophobicContact CZ3-CD2 4.16Å; W339-F344 AromaticContact CZ3-CE2 3.8Å; W339-F344 HydrophobicContact CZ3-CE2 3.8Å; L342-F344 HydrophobicContact CB-CD2 4.19Å; L342-F344 HydrophobicContact CB-CE2 4.08Å; L342-F344 HydrophobicContact CD1-CE2 4.41Å; L342-F344 PolarHBondContact O-N 2.88Å; F344-L346 PolarHBondContact O-N 3.19Å
345N26.7Very low32.6Very low131 Ų131120.4 Ų120.470%0.70165%0.651SS**  trans-72.277.1-177.3-144.5-39.8000110.4E343 N347E343-N345 PolarHBondContact O-N 3.06Å; N345-N347 VanDerWaalsContact C-N 3.35Å
346L29.8Very low31.5Very low150 Ų150130.3 Ų130.379%0.78569%0.686SS**  trans-92.67.4176.6-77172.1000112.6F344 G348F344-L346 PolarHBondContact O-N 3.19Å; L346-G348 VanDerWaalsContact C-N 3.32Å; L346-G348 PolarHBondContact O-N 2.73Å
347N27.2Very low30.8Very low125 Ų125133.4 Ų133.467%0.66871%0.707SS**  trans-84.475.4175.5-84.421.7000111.5N345 S349N345-N347 VanDerWaalsContact C-N 3.35Å; N347-S349 PolarHBondContact O-N 3.14Å
348G27Very low30.2Very low77 Ų77136.4 Ų136.479%0.79472%0.723SS**  trans-67.872.3158.500000111.8L346L346-G348 VanDerWaalsContact C-N 3.32Å; L346-G348 PolarHBondContact O-N 2.73Å
349S27.8Very low29.4Very low110 Ų110135.1 Ų135.177%0.76973%0.73SS**SBendtrans49.375.6163-176.20000117.7N347N347-S349 PolarHBondContact O-N 3.14Å
350I27.6Very low28.9Very low157 Ų157138 Ų13881%0.80575%0.748SS**  trans-127.3104.9142.7-79.5178.6000106.9
351D28.6Very low28.4Very low138 Ų138138.9 Ų138.974%0.73875%0.752SS**  trans-161.199.2163.8-118.4-36.6000111.9
352Q30.1Very low27.8Very low180 Ų180143.2 Ų143.284%0.84175%0.753SS**SBendtrans-166.4142.4144.5-116.9167.690.900110.3
353L26.6Very low27.5Very low162 Ų162146.5 Ų146.585%0.84877%0.766SS**  trans70.864168.2-55.4171.7000118.2
354T27.1Very low27.7Very low132 Ų132142.7 Ų142.781%0.8176%0.757SS**  trans-131.490142.350.50000112
355N27.2Very low27.5Very low154 Ų154143.6 Ų143.682%0.82477%0.767SS**  trans-174.698.2148.4-101.4-26.9000111.4
356Y27.9Very low27.6Very low238 Ų238143.1 Ų143.193%0.93377%0.769SS**  trans-157.6128.9136.2-119.6-75.4000109.8
357T27.9Very low27.5Very low104 Ų104141 Ų14164%0.63876%0.763SS**  trans-97147.9-17549.40000112.5
358N25.4Very low27.7Very low146 Ų146142.5 Ų142.578%0.78177%0.771SS**  trans71.1125.1152.2-63.6-20.8000120.1
359S25.2Very low27.7Very low110 Ų110144 Ų14477%0.76977%0.765SS**  trans69.694.2135.6-55.30000120.3
360Q28.5Very low27.9Very low169 Ų169145.3 Ų145.379%0.7977%0.768SS**  -177.6113.5122.2-79.2-108.232.200106
361L24.3Very low28Very low135 Ų135142.7 Ų142.771%0.70776%0.76SS**  75.9123.575.1-77.9167000114.7
362Y24.7Very low28.1Very low195 Ų195143.5 Ų143.577%0.76576%0.763SS**  trans71.2140.5162.5-79.4-122.2000116.5
363E28.4Very low28Very low159 Ų159139.3 Ų139.374%0.74375%0.749SS**  cis-145.2166.5-2.5-82.3-137.7120.400112.9
364P32.6Very low27.9Very low92 Ų92137.4 Ų137.460%0.59774%0.744SS**  trans-107.4173.2172.639.2-31.3000115.6
365N26.2Very low28Very low151 Ų151136.9 Ų136.981%0.80774%0.741SS**  trans78.5158176.3-43.3-64000114.5
366T28.9Very low28Very low121 Ų121134.2 Ų134.274%0.74274%0.735SS**  cis-147.6147.825.1450000115.5
367T27.7Very low28.2Very low106 Ų106128.7 Ų128.765%0.6572%0.722SS**  trans37.8124.1144.361.80000123.2
368N31.4Very low28.4Very low156 Ų156129.7 Ų129.783%0.83472%0.723SS**  -176.498.6117.6-90.3-28000108.7
369T28.2Very low28.6Very low108 Ų108129.1 Ų129.166%0.66372%0.72SS**  71103.161.4-48.50000114.2
370T31.8Very low29Very low138 Ų138129.7 Ų129.785%0.84771%0.714SS**  trans-163.7132.8135.1-76.30000109.7
371T28.5Very low29.1Very low103 Ų103126.6 Ų126.663%0.63271%0.707SS**  trans-87.3169.7-177.1-180000111.9T373T371-T373 HydrophobicContact CG2-CG2 3.82Å
372I31.1Very low29.5Very low155 Ų155126.8 Ų126.880%0.79571%0.709SS**  -175.7103.394.6-88161.8000106
373T27.7Very low29.7Very low91 Ų91124.2 Ų124.256%0.55871%0.708SS**  70.2119.487.251.50000118.4T371T371-T373 HydrophobicContact CG2-CG2 3.82Å
374T26.2Very low29.8Very low122 Ų122121.7 Ų121.775%0.74870%0.704SS**  trans70.3149139.157.10000119.4
375T29.1Very low29.6Very low121 Ų121122.5 Ų122.574%0.74271%0.707SS**  cis-161.3147.43.630000112.7
376S26.4Very low29.8Very low99 Ų99121.2 Ų121.269%0.69270%0.7SS**  trans53.4150.6133.4-132.70000124.4
377N31.4Very low29.8Very low122 Ų122121.6 Ų121.665%0.65270%0.698SS**  trans100.8101.7147.1-64.5-5.8000121
378N31.9Very low29.8Very low125 Ų125122.8 Ų122.867%0.66871%0.705SS**  75.8124.5115.8-59.3-1.2000122
379N31Very low29.8Very low133 Ų133119.4 Ų119.471%0.71169%0.694SS**  trans69.9154.1132.3-64.445.4000118.1
380D32.8Very low29.9Very low123 Ų123121.6 Ų121.666%0.65870%0.701SS**  cis-149170.7-2.7-131.6-44.7000113.7
381T29.9Very low30Very low103 Ų103119.3 Ų119.363%0.63269%0.691SS**  trans-37.9161.9174.848.20000121
382N33.5Very low30.1Very low139 Ų139121.2 Ų121.274%0.74370%0.697SS**  trans113.9124.5150.5-57.7-65.7000116.4
383N28.5Very low30.3Very low142 Ų142120 Ų12076%0.75970%0.697SS**  cis106.1155.924-170.822.8000112.8
384V31.8Very low30.5Very low106 Ų106122.1 Ų122.164%0.64271%0.705SS**  trans89.380.5165.6-166.20000119.4
385T28.3Very low30.9Very low108 Ų108123.5 Ų123.566%0.66371%0.708SS**  47.9154.6125.667.20000125.5
386N30.4Very low31.1Very low124 Ų124124.3 Ų124.366%0.66371%0.707SS**  trans112.398138-69.8-30.5000121.2
387N27.9Very low31.5Very low130 Ų130125.8 Ų125.870%0.69571%0.708SS**  69.8152.3113.5-59-11.2000124.1
388T28.8Very low31.6Very low130 Ų130126.2 Ų126.280%0.79871%0.71SS**  trans65.8130.5149.336.60000118.3
389S30.2Very low31.6Very low86 Ų86126.9 Ų126.960%0.60171%0.714SS**  cis161.6159.55.243.90000106.6
390N30.4Very low31.7Very low153 Ų153128 Ų12882%0.81871%0.714SS**  trans71152.1159.7-58.7-3.7000117.1
391S33.9Very low31.7Very low91 Ų91128.5 Ų128.564%0.63672%0.717SS**  cis-167.2151.4-10.641.10000111.8
392D32Very low31.5Very low142 Ų142129.8 Ų129.876%0.75973%0.725SS**  trans41124.5146.7-42.3-27.8000122.3
393T34.5Very low31.4Very low129 Ų129130.9 Ų130.979%0.79173%0.73SS**  162.9133.7104.939.80000116
394N31.7Very low31.4Very low136 Ų136135.7 Ų135.773%0.72774%0.737SS**  trans13.1128.4148.1-49.1-11.4000122
395N35.7Very low31.3Very low152 Ų152138 Ų13881%0.81374%0.744SS**  -179.5170.793.7-96.4-36.9000113.8
396N31.5Very low31.4Very low137 Ų137140.2 Ų140.273%0.73375%0.752SS**  trans-71167.8178.5-50.5-27000111.6
397D35.7Very low31.4Very low130 Ų130141 Ų14170%0.69576%0.756SS**  -164.2145.353.7-95.3-46.7000115.4
398N33.1Very low31.6Very low131 Ų131140 Ų14070%0.70176%0.755SS**  trans56.4144.9140-59.1-44.8000125.6
399N32Very low31.7Very low140 Ų140140.3 Ų140.375%0.74975%0.752SS**  trans90.195.8149.5-66.7-17.4000122.6
400H34.2Very low31.9Very low155 Ų155143.6 Ų143.672%0.71876%0.762SS**  68110.4126.3-81.3-53000123.5
401N30.9Very low31.8Very low135 Ų135144.4 Ų144.472%0.72277%0.766SS**  88.8136.1122.7-69.41.4000122
402V27.7Very low31.7Very low130 Ų130146.9 Ų146.979%0.78877%0.771SS**  trans65.396.4164.3-148.40000117.8
403L29.5Very low31.8Very low162 Ų162148.1 Ų148.185%0.84877%0.77SS**  -165.7-174.1108-102.1169.4000111.3
404R29.5Very low31.7Very low242 Ų242149.9 Ų149.991%0.91377%0.774SS**  trans-85.5164.5-164.7-78.4-177.6173.5164.3-2.3115.1
405I29.3Very low31.7Very low156 Ų156150.5 Ų150.580%0.877%0.772SS**  trans-60.4145.7169.5-59.4156.5000111
406D30.3Very low31.6Very low153 Ų153151.2 Ų151.282%0.81877%0.77SS**  trans-139.6140.3143.5-83.7-39.9000110.5
407D31.1Very low31.6Very low140 Ų140150.1 Ų150.175%0.74977%0.774SS**  trans35.8110156.7-63.7-7.2000124.4
408T31Very low31.5Very low110 Ų110147.5 Ų147.568%0.67578%0.777SS**  trans6132130.158.30000119.8
409N31.5Very low31.6Very low137 Ų137149 Ų14973%0.73378%0.78SS**  -173.515793.5-101.4-62.4000115.1
410N34.8Very low31.6Very low154 Ų154149.4 Ų149.482%0.82478%0.777SS**  trans52.1107158-64.5-35.5000120.1
411L27.8Very low31.7Very low171 Ų171150 Ų15090%0.89578%0.78SS**  trans-128.8113.8156.2-155.8175.4000108.9
412L31.9Very low31.7Very low143 Ų143150.8 Ų150.875%0.74978%0.78SS**  trans-145.9124.1178.1-162.175.1000112.6
413K33.6Very low31.9Very low168 Ų168153.6 Ų153.673%0.7378%0.777SS**  trans55.5100.8158.6-74.2171.9179.51760118.7
414L32Very low32.2Very low166 Ų166151.7 Ų151.787%0.86978%0.775SS**  176.6160106.1-111.855.6000108
415H32.4Very low32.1Very low149 Ų149147.2 Ų147.269%0.6977%0.768SS**  cis167.5134.1-30.6-162.4-149.5000104
416Q33.8Very low32.2Very low166 Ų166148.1 Ų148.178%0.77677%0.769SS**  trans71.8149.8170.2-54.1167.413.500117.4
417S30.8Very low32.3Very low115 Ų115148.4 Ų148.480%0.80477%0.765SS**  cis-171.4138.1-21.653.10000113.7
418G34.8Very low32.2Very low74 Ų74149.6 Ų149.676%0.76377%0.771SS**  trans90.6156.5161.700000116.9
419Q35.1Very low32.1Very low163 Ų163153.1 Ų153.176%0.76278%0.78SS**  cis-155.2149-4.1-77.5-153.83500112
420Q32.7Very low32.1Very low149 Ų149151.8 Ų151.870%0.69678%0.781SS**  trans49.1141.2151.5-56.2-178.74300119.6
421Q34.7Very low32Very low168 Ų168151.5 Ų151.579%0.78579%0.785SS**  cis-147.2127.634.1-67.6176.41.800110.8
422Q31.9Very low32Very low151 Ų151150.5 Ų150.571%0.70678%0.78SS**  78100.1103.1-79.4-169.1-114.200120.6
423Y31.2Very low31.8Very low189 Ų189150.8 Ų150.874%0.74178%0.782SS**  trans69.1157.3144.7-64.3-69.1000121.6
424P36.3Very low31.6Very low122 Ų122148.3 Ų148.379%0.79279%0.786SS**  cis-113.4169.7-2.618.64.2000115.7
425L26.4Very low31.6Very low148 Ų148148.8 Ų148.878%0.77579%0.788SS**  trans-87.7175.9175.7-95.578.8000112.8
426Q31.6Very low31.5Very low174 Ų174149.1 Ų149.181%0.81379%0.793SS**  trans88.8127.2175.3-52.3177.83000112.3
427Q31.9Very low31.2Very low160 Ų160145.5 Ų145.575%0.74879%0.786SS**  cis-148.7165.919.6-126.7165.369.300113
428L30.4Very low31.2Very low164 Ų164148.2 Ų148.286%0.85979%0.786SS**  trans69144.3166.2-67162.4000119
429Q29.4Very low30.9Very low185 Ų185149.6 Ų149.686%0.86478%0.784SS**  trans-126.8162.2-176-66.2176.2-80.400111
430S30.6Very low30.5Very low108 Ų108149.6 Ų149.676%0.75579%0.789SS**  trans52.9104.9150.559.90000119.5
431V31.9Very low30.3Very low149 Ų149148.3 Ų148.390%0.90379%0.792SS**  -135.2118.2124-146.10000109
432N28.7Very low30.1Very low150 Ų150146.8 Ų146.880%0.80279%0.793SS**  trans-163.2141.2163.9-126.4-14.8000108.6
433N28.5Very low29.9Very low149 Ų149148.1 Ų148.180%0.79780%0.8SS**  trans59.6104-177.6-57.2-15.6000116.7
434S28.7Very low29.9Very low115 Ų115143.6 Ų143.680%0.80480%0.796SS**  167.6118.1126.9-75.10000111.9
435I32Very low29.5Very low177 Ų177144.9 Ų144.991%0.90880%0.796SS**  trans-140.364.9161.8-49.7-178.1000109.5
436I29.8Very low29.7Very low155 Ų155145.7 Ų145.780%0.79580%0.801SS**SBendtrans-143.6136.9154.6-64.6-172.4000106.8
437S27.3Very low29.6Very low91 Ų91143.8 Ų143.864%0.63680%0.795SS**  trans69.9165.3175.676.80000117.8
438H30.6Very low29.7Very low171 Ų171144.7 Ų144.779%0.79280%0.797SS**  trans70114.4-166-44.8-57.5000112.9
439S29Very low29.6Very low104 Ų104143.4 Ų143.473%0.72779%0.791SS**  cis68.798.718.6-34.30000114.6
440N26Very low29.8Very low163 Ų163143.9 Ų143.987%0.87279%0.793SS**  trans28.7104.4155.7-60-4.4000118.7
441T29.6Very low29.8Very low122 Ų122146.4 Ų146.475%0.74880%0.798SS**  -156.7117.4128.8-9.10000112.3Q443T441-Q443 HydrophobicContact CG2-CG 4.25Å
442V30Very low29.8Very low135 Ų135142.8 Ų142.882%0.81879%0.79SS**  trans-80.5119.6155.7174.20000106.8
443Q28.7Very low29.8Very low180 Ų180143.5 Ų143.584%0.84179%0.793SS**  trans-117.8100.8168.7-79.7-164.5-800110.4T441T441-Q443 HydrophobicContact CG2-CG 4.25Å
444S30.2Very low29.9Very low94 Ų94142.3 Ų142.366%0.65779%0.791SS**  trans-14086.2163.7460000110
445N29.1Very low29.9Very low148 Ų148142.8 Ų142.879%0.79179%0.79SS**  trans31.5101151.1-57.2-30.7000117.8
446N30.7Very low30Very low166 Ų166139.5 Ų139.589%0.88878%0.78SS**  -147.4153.9129.2-114.4-54.1000113.6
447L29Very low29.9Very low133 Ų133142 Ų14270%0.69679%0.785SS**  trans-95.1158.6-166.4-90.464.3000112.9
448K32.5Very low30.1Very low179 Ų179145.8 Ų145.878%0.77880%0.797SS**  trans84105.4162.5-61136.9-179.1177.20117.2
449N28.5Very low30Very low137 Ų137141 Ų14173%0.73378%0.776SS**  40117.4118.8-51.15.7000118.1
450H33.6Very low30Very low196 Ų196142 Ų14291%0.90777%0.77SS**  -154.4162.2112.6-104-76000110
451N30.6Very low30.1Very low161 Ų161140.5 Ų140.586%0.86176%0.762SS**  trans-109.3155.4-166.7-57.3-25.4000112.7
452G32.2Very low30.3Very low72 Ų72139.8 Ų139.874%0.74276%0.757SS**  trans115.3120.3174.500000112.1
453L29.3Very low30.5Very low165 Ų165142 Ų14286%0.86476%0.755SS**  cis80.3136.420.5-149.283.5000114.8
454V29.8Very low30.8Very low125 Ų125138 Ų13876%0.75875%0.745SS**  trans75.6135.1172.6-169.70000114
455T30Very low30.8Very low125 Ų125143 Ų14377%0.76775%0.75SS**  cis-149.7166.6013.90000111
456P34.2Very low31Very low108 Ų108142.8 Ų142.870%0.70174%0.742SS**  trans-82176.2168.436.7-37.4000114.1
457F27.1Very low31.1Very low206 Ų206140.6 Ų140.690%0.90473%0.726SS**  trans23.4100.8164.5-82.2-79.6000118.6
458I30.7Very low31.3Very low172 Ų172140 Ų14088%0.88272%0.72SS**  trans-145154.2148.8-80-159.8000109.6
459L28.9Very low31.4Very low70 Ų70134.8 Ų134.837%0.36671%0.706SS.*  trans-103.1160178.2170.868000111.4S1416L459-S1416 WeakPolarHBondContact CD1-OG 3.21Å; L459-S1416 WeakPolarHBondContact CD2-OG 3.44Å
460E28.6Very low31.7Very low126 Ų126133.3 Ų133.359%0.58970%0.698SS**  trans79.9145.4158.5-98.8170.2177.600121.4L1414E460-L1414 HydrophobicContact CG-CD2 3.49Å; E460-L1414 VanDerWaalsContact CG-CD2 3.49Å; E460-L1414 WeakPolarHBondContact OE1-CD2 3.24Å
461D28.7Very low31.6Very low131 Ų131127.8 Ų127.870%0.70168%0.678SS**  trans74.7117.3146.1-92.511.6000125.8
462V33.5Very low31.7Very low107 Ų107127.6 Ų127.665%0.64868%0.676SS**  83.789.4126.6175.60000119.8
463K33.8Very low31.7Very low181 Ų181133 Ų13379%0.78768%0.678SS**  65.6152.6104.3-171.7-177.3-178.2-177.80119.2
464P35.5Very low31.9Very low97 Ų97133 Ų13363%0.6367%0.674SS**  cis-135.5-166.1-2038.9-20.2000115.5
465R31Very low31.9Very low199 Ų199133.1 Ų133.175%0.75167%0.67SS**  trans83144.5153.3-78.1173.1158.8171.3-7.8117.1
466F33Very low32.1Very low142 Ų142134.7 Ų134.762%0.62367%0.668SS**  cis-152.3153.88-119.1-41.3000113.2
467Q32.9Very low31.9Very low121 Ų121135.2 Ų135.257%0.56567%0.665SS**  trans66.2161.6148.4-74.6179.3-72.200120.7K1407Q467-K1407 PolarHBondContact O-NZ 3.21Å
468E33Very low32.2Very low121 Ų121131.2 Ų131.257%0.56566%0.658SS**  cis-154.1167.8-43.9-133.4158.7-160.200112K1406E468-K1406 VanDerWaalsContact O-CD 3.23Å; E468-K1406 WeakPolarHBondContact O-CD 3.27Å; E468-K1406 WeakPolarHBondContact O-CE 3.17Å; E468-K1406 PolarHBondContact O-NZ 2.79Å
469S35Very low32.5Very low68 Ų68128.1 Ų128.148%0.47665%0.651SS.*  trans23.9139.5162.8-54.10000123.2K1406S469-K1406 VanDerWaalsContact O-CD 3.31Å; S469-K1406 WeakPolarHBondContact O-CD 3.42Å; S469-K1406 PolarHBondContact O-NZ 3.04Å
470N33.4Very low32.8Very low106 Ų106130.7 Ų130.757%0.56767%0.672SS**  cis-171.2135.6-5.9-111.3-3000115
471T32Very low32.9Very low80 Ų80129.3 Ų129.349%0.49168%0.683SS.*  trans68.3162.7143.866.50000119.8D1405T471-D1405 CarbonylContact C-O 3.56Å; T471-D1405 WeakPolarHBondContact CA-O 3.19Å; T471-D1405 PolarHBondContact N-O 3.49Å; T471-D1405 VanDerWaalsContact N-O 3.13Å
472I33.4Very low33.1Very low158 Ų158130.4 Ų130.481%0.8169%0.687SS**  cis-134.716218.2-70.3174.8000111.6
473K31.7Very low32.9Very low184 Ų184131.6 Ų131.680%0.869%0.69SS**  trans-95.8159.2176.6-51.5167.1-179.6174.80113
474H33.5Very low32.8Very low167 Ų167130 Ų13077%0.77370%0.696SS**  -158117.8118.4-115.9-76.8000112.7H476H474-H476 AromaticContact CE1-NE2 3.9Å; H474-H476 AromaticContact ND1-CD2 3.97Å; H474-H476 AromaticContact ND1-NE2 3.78Å
475N29.6Very low32.8Very low126 Ų126130 Ų13067%0.67469%0.693SS**  trans-88.4150.3157-69.419.4000108.2
476H35.2Very low33Very low158 Ų158128.1 Ų128.173%0.73169%0.693SS**  -137.7134.5123.5-75.7-76.4000105.5H474H474-H476 AromaticContact CE1-NE2 3.9Å; H474-H476 AromaticContact ND1-CD2 3.97Å; H474-H476 AromaticContact ND1-NE2 3.78Å
477N29.6Very low33.1Very low120 Ų120129.2 Ų129.264%0.64270%0.7SS**  63.6135.452.5-5413.1000109.7
478T33.7Very low33.1Very low122 Ų122128.2 Ų128.275%0.74871%0.706SS**  cis-140.9158.620.350.60000109.1
479S36.4Very low33.1Very low106 Ų106128.6 Ų128.674%0.74172%0.717SS**  45.7138.567.1-54.50000114.5
480P36.2Very low33.1Very low124 Ų124130 Ų13081%0.80572%0.723SS**  -139.4141105.435.9-24.4000114.2
481A29.7Very low33Very low98 Ų98131.5 Ų131.581%0.8173%0.731SS**  trans-96.6137.815300000107.8
482I33.1Very low33Very low154 Ų154134 Ų13479%0.7974%0.74SS**  trans-78.7128.7-177-65.9176.9000110.9
483N29.4Very low32.9Very low132 Ų132133.4 Ų133.471%0.70674%0.737SS**  trans10.9120156.3-55.1-30.8000119
484T31.6Very low33Very low148 Ų148132.1 Ų132.191%0.90874%0.735SS**  -139.9135.8125.823.10000108.9
485T34.5Very low32.9Very low95 Ų95130.3 Ų130.358%0.58374%0.736SS**  trans-142.3118.8-168.39.20000111.9
486H35.5Very low32.9Very low160 Ų160127.1 Ų127.174%0.74173%0.733SS**  trans68.5160.9170.5-37.4-61.3000114.6
487H35.1Very low32.8Very low165 Ų165128.6 Ų128.676%0.76474%0.738SS**  cis-139.2149.513.2-58.6-102.7000113.1
488S32.7Very low32.8Very low101 Ų101128.9 Ų128.971%0.70674%0.739SS**  trans50.9120.6137.5-58.30000122.8
489T34.4Very low32.6Very low128 Ų128129.5 Ų129.579%0.78574%0.738SS**  78.1135.6114-62.30000119
490T35.1Very low32.3Very low99 Ų99129.8 Ų129.861%0.60774%0.74SS**  cis-172.2165.2-9.3-93.40000107.4
491D31.6Very low31.9Very low137 Ų137130.5 Ų130.573%0.73374%0.742SS**  trans69.4156.7165.7-75-10.4000119.1
492I31.7Very low31.8Very low132 Ų132130.7 Ų130.768%0.67774%0.738SS**  cis-165.1154.3-36.6-140.5173.5000109.8
493I31.6Very low31.7Very low145 Ų145129 Ų12974%0.74473%0.734SS**  trans74.6126.8155.5-80.2174.5000122.3
494M33.1Very low31.6Very low157 Ų157129.2 Ų129.277%0.77374%0.735SS**  trans71.8103.9147.1-67.3-79.5-83.700124.5
495V31.1Very low31.6Very low129 Ų129129.9 Ų129.978%0.78273%0.728SS**  34.6123.2113.2-1740000120.2
496G30.7Very low31.3Very low60 Ų60134 Ų13462%0.61974%0.74SS**  136.4102.1127.200000120.8
497F31.7Very low31Very low189 Ų189131.3 Ų131.383%0.82974%0.739SS**  trans58.2135.3138.4-71-75.3000124.3
498N30.5Very low30.9Very low126 Ų126127.9 Ų127.967%0.67473%0.734SS**  trans81.5116.4139.8-64.8-10.7000122.8
499N29.7Very low30.9Very low135 Ų135131.1 Ų131.172%0.72274%0.738SS**  60.6127.8125.8-60.8-3.8000122.7
500S28.7Very low30.8Very low112 Ų112130.3 Ų130.378%0.78373%0.732SS**  43.887.4129.9-50.80000119.4
501T28.6Very low30.6Very low138 Ų138131.3 Ų131.385%0.84773%0.734SS**  trans-162.9133.3136.418.30000107
502S28.1Very low30.5Very low103 Ų103131.3 Ų131.372%0.7273%0.734SS**  89.411655.1-162.40000112.5
503V29.6Very low30.7Very low117 Ų117130.9 Ų130.971%0.70974%0.737SS**  trans-1.3148.8167-72.20000122.2
504N28.4Very low30.8Very low137 Ų137130.7 Ų130.773%0.73374%0.738SS**  trans65.7115.6143-65.6-9.9000120
505H30.9Very low31Very low163 Ų163129.5 Ų129.576%0.75573%0.734SS**  18.4121.5121.8-66.8-73.5000119.1
506Q28.7Very low31.3Very low180 Ų180130.8 Ų130.884%0.84173%0.729SS**  trans74.6114.5139.8-64.4177.2-6.100119.3
507S29.9Very low31.4Very low104 Ų104133.9 Ų133.973%0.72773%0.731SS**  trans83.7115.3136.4-155.70000119.7
508S31.2Very low31.5Very low93 Ų93129.3 Ų129.365%0.6572%0.719SS**  trans66.8125.8134.162.10000121.4
509H33.5Very low31.7Very low170 Ų170128.5 Ų128.579%0.78772%0.719SS**  trans74.8100.5141-84.4-65.3000120.8
510V32.9Very low31.9Very low110 Ų110128.2 Ų128.267%0.66772%0.717SS**  77.5114.9106.2152.10000119.5
511N30.6Very low32Very low121 Ų121128.5 Ų128.565%0.64771%0.71SS**  trans84.1119.1139.2-73.741.2000123.2
512D28.9Very low32.1Very low136 Ų136129.4 Ų129.473%0.72771%0.709SS**  78.3167.8125.1-67-37.2000122.3
513V37.2Very low32.1Very low124 Ų124131.8 Ų131.875%0.75271%0.713SS**  trans81.290.7170.3-163.40000114.5L515V513-L515 HydrophobicContact CG1-CD1 4.27Å
514N31.8Very low32Very low140 Ų140131.2 Ų131.275%0.74971%0.71SS**  90.7158.551.6-172.924.9000113.5
515L38.6Very low32.1Very low133 Ų133131.5 Ų131.570%0.69671%0.711SS**  trans88137.5169-64111.6000118.3V513V513-L515 HydrophobicContact CG1-CD1 4.27Å
516K36.5Very low31.9Very low156 Ų156130.8 Ų130.868%0.67871%0.713SS**  cis-171.2151.7-16.6-172.754.8172.4100.10112
517N33.5Very low32.1Very low124 Ų124127.4 Ų127.466%0.66371%0.709SS**  trans72.7151.1163.2-73.9-7000118.3
518T34.1Very low31.9Very low93 Ų93129.2 Ų129.257%0.57171%0.711SS**  cis-164.5126.4-18.8-96.60000107.8
519V34.6Very low31.7Very low110 Ų110132.1 Ų132.167%0.66772%0.718SS**  45.8145.494.1-112.70000114.5
520D34.6Very low31.5Very low129 Ų129128 Ų12869%0.6971%0.708SS**  cis-152.5134.234.3-91.8-62000109.9
521N29.7Very low31.1Very low117 Ų117129.2 Ų129.263%0.62672%0.716SS**  88.2118.776.6-90.7-46.5000117.2
522L30Very low31.1Very low158 Ų158128 Ų12883%0.82772%0.723SS**  trans37129.6137.4-56.5169.6000121.3
523N29.2Very low31Very low152 Ų152126 Ų12681%0.81372%0.719SS**  -172.2166.998.3-151.6-1000113.3
524T27.3Very low30.6Very low105 Ų105126.2 Ų126.264%0.64472%0.716SS**  trans-97158.3173.851.60000113
525N30.2Very low30.5Very low143 Ų143124.8 Ų124.877%0.76571%0.709SS**  173.1164.7115.8-94.4-66.2000115.4
526N26.7Very low30.2Very low148 Ų148124.4 Ų124.479%0.79171%0.707SS**  trans-84.5146.2-175-54.1-64.5000114.8
527S32.6Very low29.9Very low109 Ų109122.5 Ų122.576%0.76271%0.705SS**  trans-177.7113.2132.252.20000109.7
528N26Very low29.9Very low143 Ų143123.1 Ų123.177%0.76571%0.708SS**  76.513573.6-85.7-12.4000115.3
529I28.2Very low29.7Very low154 Ų154126.1 Ų126.179%0.7972%0.715SS**  trans73.5139.1154.5-65.9162.6000116.6
530S28.1Very low29.6Very low84 Ų84126.5 Ų126.559%0.58772%0.72SS**  cis-172.3146.1-22.1-92.90000110.2
531T25.4Very low29.1Very low134 Ų134130.6 Ų130.682%0.82273%0.726SS**  trans57.8160.6144.658.70000121.9
532A29.2Very low29.1Very low96 Ų96130.7 Ų130.779%0.79373%0.731SS**  trans73.5141.4154.400000117.6
533S26.7Very low28.7Very low94 Ų94127.1 Ų127.166%0.65772%0.719SS**  cis-168.3176.4-20.8-161.60000108.2
534N29.1Very low28.6Very low128 Ų128128.7 Ų128.768%0.68472%0.719SS**  trans72.6147.7153.3-61.5-5.3000116.2
535N30.6Very low28.5Very low111 Ų111129 Ų12959%0.59472%0.721SS**  cis-167.7155.1-10.9-113.5-8.1000110.4
536N31.1Very low28.4Very low124 Ų124130.3 Ų130.366%0.66372%0.723SS**  trans64161.3144-62.5-4.4000117
537N31.4Very low28.5Very low117 Ų117129.7 Ų129.763%0.62672%0.719SS**  cis-171.1163.9-16.3-96.9-4.9000104.4
538N32.2Very low28.3Very low136 Ų136128.6 Ų128.673%0.72771%0.712SS**  cis-159.2161.42.2-113.9-16.4000108.4
539Q31.4Very low28.4Very low156 Ų156127 Ų12773%0.72970%0.703SS**  trans-77158.2156.5-75.5-167.3-18.500110.9R541Q539-R541 HydrophobicContact CB-CB 4.29Å
540P32.4Very low28.4Very low118 Ų118124.1 Ų124.177%0.76668%0.683SS**  -129.1149.997.436.4-29.4000111.5
541R24.1Very low28.4Very low216 Ų216130.5 Ų130.582%0.81569%0.694SS**  cis6875.414.7-157.3-168.2-174.5-141.50.4117.3Q539Q539-R541 HydrophobicContact CB-CB 4.29Å
542T28.4Very low28.6Very low119 Ų119128.1 Ų128.173%0.7368%0.683SS**  trans-168.7121.1140.8350000106.2
543S23.4Very low28.7Very low83 Ų83129.7 Ų129.758%0.5868%0.683SS**  75.5144.351.4770000114.2
544F26.1Very low28.9Very low184 Ų184133.9 Ų133.981%0.80769%0.692SS**  trans76.6140.7-179.8-55.6-68.3000115.4
545T24.9Very low29Very low113 Ų113134.5 Ų134.569%0.69370%0.695SS**  cis-164.1-176.2-33.96.10000106.8
546E29Very low28.8Very low169 Ų169137.7 Ų137.779%0.7971%0.706SS**  trans70.1153.2164.8-64.4-178.117800116.5
547N28Very low28.7Very low135 Ų135137.7 Ų137.772%0.72271%0.706SS**  cis-156.4151.3-37-118.6-13.5000110.2
548S27.9Very low28.4Very low86 Ų86136.6 Ų136.660%0.60171%0.707SS**  trans49.1124.2142.473.70000122.2
549N28.5Very low28.2Very low110 Ų110139.8 Ų139.859%0.58871%0.71SS**  96.5128.3123.2-69.80.1000123.1
550Y28.4Very low28Very low93 Ų93138.2 Ų138.237%0.36571%0.706SS.*  trans66.9124.3162.7-56.9-60000117.6N1268Y550-N1268 HydrophobicContact CD2-CB 4.04Å; Y550-N1268 VanDerWaalsContact CD2-CG 3.5Å; Y550-N1268 WeakPolarHBondContact CD2-OD1 3.4Å; Y550-N1268 HydrophobicContact CE2-CB 3.96Å
551R28.4Very low27.7Very low218 Ų218141.4 Ų141.482%0.82371%0.705SS**  73.3125.754.5-154.2-142.8-173.6167.91.9109
552S30.4Very low27.9Very low85 Ų85137 Ų13759%0.59470%0.701SS**  cis-150.3142.230.6-38.50000114.6
553T29.4Very low27.9Very low129 Ų129136.7 Ų136.779%0.79169%0.692SS**  trans27.9128.7137.259.70000121.4
554Q31.8Very low28.1Very low181 Ų181137.5 Ų137.585%0.84670%0.697SS**  -151.5129.2111.7-115.7-177.65800113.1
555L31.2Very low28.3Very low142 Ų142134.8 Ų134.874%0.74369%0.687SS**  trans45.780.2156.6-62.1171000119
556Q26.9Very low28.6Very low178 Ų178135.1 Ų135.183%0.83269%0.689SS**  -69144.8129.1-70170.5-81.200108.5
557N28.7Very low28.7Very low124 Ų124133 Ų13366%0.66368%0.683SS**  trans-14574.1159.3-135.83.1000110.6Y559N557-Y559 WeakPolarHBondContact OD1-CE2 3.04Å
558C24.6Very low28.9Very low94 Ų94136.3 Ų136.364%0.63569%0.687SS**  trans-96.1104.6173.7-58.20000109.3N560C558-N560 PolarHBondContact O-ND2 3.4Å
559Y27.7Very low29.3Very low202 Ų202139 Ų13979%0.79269%0.687SS**  trans-95.5116.8159.2-78.9-90.4000106.2N557N557-Y559 WeakPolarHBondContact OD1-CE2 3.04Å
560N28.2Very low29.7Very low123 Ų123138.8 Ų138.866%0.65869%0.692SS**  cis52.89939.5-59.9-51.3000110.6C558C558-N560 PolarHBondContact O-ND2 3.4Å
561Y25.1Very low29.7Very low185 Ų185140.2 Ų140.273%0.72571%0.706SS**  64.882.456.9-157.6-81.3000113.5Q563Y561-Q563 HydrophobicContact CE1-CB 4.17Å; Y561-Q563 PolarHBondContact OH-OE1 2.84Å
562V28.9Very low30.1Very low123 Ų123137.1 Ų137.175%0.74571%0.705SS**  trans-152.7103.6153.7-1790000102.4
563Q27.7Very low30.3Very low113 Ų113142.7 Ų142.753%0.52872%0.719SS.*  35.86550.9-159171.3-7.500113.3Y561 E565Y561-Q563 HydrophobicContact CE1-CB 4.17Å; Y561-Q563 PolarHBondContact OH-OE1 2.84Å; Q563-E565 HydrophobicContact CG-CG 4.17Å; Q563-E565 PolarHBondContact NE2-OE1 2.96Å; Q563-E565 PolarHBondContact O-N 3.47Å
564S28.9Very low30.4Very low100 Ų100144 Ų14470%0.69972%0.719SS**  trans-75.274.3170.358.30000110.9V566S564-V566 PolarHBondContact O-N 3.19Å
565E30.5Very low30.4Very low128 Ų128143.5 Ų143.560%0.59872%0.717SS**  trans-65.1117161.8-75.4-177.6-175.400109.1Q563 N567Q563-E565 HydrophobicContact CG-CG 4.17Å; Q563-E565 PolarHBondContact NE2-OE1 2.96Å; Q563-E565 PolarHBondContact O-N 3.47Å; E565-N567 PolarHBondContact O-N 2.87Å
566V31.3Very low30.2Very low119 Ų119143.2 Ų143.272%0.72172%0.721SS**  trans-79.965.5172-168.40000108.7S564 Y568S564-V566 PolarHBondContact O-N 3.19Å; V566-Y568 HydrophobicContact CG1-CD2 3.92Å; V566-Y568 HydrophobicContact CG1-CE2 3.79Å; V566-Y568 PolarHBondContact O-N 3.18Å
567N30.9Very low30.4Very low124 Ų124138.9 Ų138.966%0.66371%0.71SS**  trans-75.491.5-176.3-165-27.3000110E565 K569E565-N567 PolarHBondContact O-N 2.87Å; N567-K569 PolarHBondContact O-N 2.85Å
568Y32.4Very low30.6Very low205 Ų205137.9 Ų137.980%0.80471%0.713SS**  trans-67.993.6176.9-99-86.5000110.9V566 P570V566-Y568 HydrophobicContact CG1-CD2 3.92Å; V566-Y568 HydrophobicContact CG1-CE2 3.79Å; V566-Y568 PolarHBondContact O-N 3.18Å; Y568-P570 VanDerWaalsContact O-CD 3.25Å; Y568-P570 WeakPolarHBondContact O-CD 3.15Å
569K35.4Very low30.8Very low143 Ų143141 Ų14162%0.62272%0.72SS**  trans-55.2115177.9-176.4-164.5179.9-145.60112.7N567 D571N567-K569 PolarHBondContact O-N 2.85Å; K569-D571 WeakPolarHBondContact CE-OD1 3.23Å; K569-D571 WeakPolarHBondContact CE-OD2 3.39Å; K569-D571 IonicContact NZ-OD1 3.95Å; K569-D571 PolarHBondContact NZ-OD1 3.13Å; K569-D571 IonicContact NZ-OD2 2.64Å; K569-D571 PolarHBondContact NZ-OD2 3.05Å; K569-D571 PolarHBondContact O-N 2.98Å
570P37.1Very low31.1Very low105 Ų105138.9 Ų138.968%0.68272%0.718SS**  trans-85108.2166.332.5-28.1000109.9Y568 L572Y568-P570 VanDerWaalsContact O-CD 3.25Å; Y568-P570 WeakPolarHBondContact O-CD 3.15Å; P570-L572 VanDerWaalsContact C-N 3.3Å; P570-L572 PolarHBondContact O-N 3.13Å
571D29.4Very low31.3Very low124 Ų124141 Ų14166%0.66372%0.723SS**  trans-73.978.8174.5-96-50.2000111.8K569K569-D571 WeakPolarHBondContact CE-OD1 3.23Å; K569-D571 WeakPolarHBondContact CE-OD2 3.39Å; K569-D571 IonicContact NZ-OD1 3.95Å; K569-D571 PolarHBondContact NZ-OD1 3.13Å; K569-D571 IonicContact NZ-OD2 2.64Å; K569-D571 PolarHBondContact NZ-OD2 3.05Å; K569-D571 PolarHBondContact O-N 2.98Å
572L36.6Very low31.9Very low153 Ų153137.3 Ų137.380%0.80172%0.72SS**  trans-100.5104.8169.9-94.5165000111.1P570 I574P570-L572 VanDerWaalsContact C-N 3.3Å; P570-L572 PolarHBondContact O-N 3.13Å; L572-I574 PolarHBondContact O-N 2.89Å
573K32.7Very low32.2Very low202 Ų202139.3 Ų139.388%0.87872%0.721SS**  trans-68.195.4175.1-64.9174.1-178.5173.70110.4Q575K573-Q575 PolarHBondContact O-N 2.78Å
574I32.7Very low32.5Very low155 Ų155136.9 Ų136.980%0.79573%0.726SS**  trans-75.9112.6165.9-63.2-178.2000108.5L572L572-I574 PolarHBondContact O-N 2.89Å
575Q32.3Very low33Very low171 Ų171140.5 Ų140.580%0.79973%0.732SS**  trans-81.6114.7-178.8-175.2172.61.200110.1K573 S577K573-Q575 PolarHBondContact O-N 2.78Å; Q575-S577 PolarHBondContact O-N 3.46Å
576T27Very low33.4Very low137 Ų137138.6 Ų138.684%0.8473%0.73SS**  trans-81.3100.8179.740.40000111.8
577S31.1Very low33.4Very low86 Ų86143.1 Ų143.160%0.60174%0.736SS**  trans-149.4143.2175.9-680000112.8Q575Q575-S577 PolarHBondContact O-N 3.46Å
578S31.4Very low33.5Very low104 Ų104143.8 Ų143.873%0.72774%0.735SS**  trans43.6107.7149.855.50000119.2
579M30Very low33.8Very low159 Ų159139.2 Ų139.278%0.78373%0.73SS**  92.614969.2-86.4-161.992.900114.6
580Q33.2Very low33.7Very low157 Ų157137.2 Ų137.273%0.73473%0.73SS**  trans75.2120.7160.2-72.4156.211.600116.7
581H31.9Very low33.7Very low169 Ų169139.2 Ų139.278%0.78273%0.734SS**  82.6134.887.8-133.1-108.5000110.2
582V38.2Very low34Very low106 Ų106140.5 Ų140.564%0.64274%0.738SS**  cis-158.2166.834.4-149.80000110.8
583Q34.6Very low34Very low165 Ų165140.2 Ų140.277%0.77174%0.737SS**  trans24.6140155.8-98.868.4-26.700122.7
584G35.7Very low34.1Very low62 Ų62134.1 Ų134.164%0.63973%0.732SS**  cis153.6147.9-10.700000116.4
585H39.7Very low34Very low177 Ų177131.6 Ų131.682%0.81973%0.728SS**  trans68.1163.8159.3-52.8-65.8000120.6
586P37.2Very low34.1Very low87 Ų87131.2 Ų131.257%0.56573%0.731SS**  cis-122.3146.9-21.6202.6000113.6
587Y32.9Very low34.6Very low214 Ų214131.3 Ų131.384%0.83973%0.731SS**  161154.5101.6-83.3-63.3000108
588H33.2Very low34.8Very low138 Ų138132 Ų13264%0.63974%0.736SS**  cis76.7121.41.4-165.1-81.4000117.8T590H588-T590 PolarHBondContact CD2-OG1 2.78Å
589P37.3Very low34.8Very low110 Ų110132 Ų13271%0.71474%0.736SS**  cis-115.4167.225.441.6-32.9000115.4
590T33Very low35.1Very low100 Ų100132.4 Ų132.461%0.61374%0.735SS**  cis98.8148.89.9-53.40000116.3H588H588-T590 PolarHBondContact CD2-OG1 2.78Å
591L38Very low35.3Very low147 Ų147133.4 Ų133.477%0.7774%0.742SS**  trans97125.4-174-55.5173.5000113.6
592M36.2Very low35.9Very low151 Ų151130.7 Ų130.774%0.74473%0.733SS**  cis-159.2144-7.1-133-173.7-171.700113.7
593N36Very low36.1Very low147 Ų147131.9 Ų131.979%0.78674%0.736SS**  trans52.9139.7150.1-60.4-10.3000123.2
594G34.2Very low36.5Very low74 Ų74131.7 Ų131.776%0.76374%0.735SS**  trans116.854.8157.100000116.4
595S31.9Very low37.1Very low102 Ų102132.1 Ų132.171%0.71373%0.733SS**  6397.786.3-176.80000116.3
596L33.4Very low37.6Very low164 Ų164129 Ų12986%0.85972%0.722SS**  trans59.3111.5148.5-57.3170.8000119
597V38.2Very low38.3Very low139 Ų139128.5 Ų128.584%0.84272%0.72SS**  -160140.51101470000110
598S35.3Very low39.3Very low101 Ų101122.7 Ų122.771%0.70670%0.703SS**  trans-30.6125.4163.7-91.90000115.6
599S31.7Very low40.4Very low104 Ų104122.2 Ų122.273%0.72770%0.701SS**  80.8142.169.278.80000115
600H34.6Very low41.6Very low166 Ų166124.2 Ų124.277%0.76970%0.699SS**  trans92.959.7169.8-148.984.9000117.9
601M38.5Very low43.1Very low178 Ų178121.8 Ų121.888%0.87769%0.689SS**SBendtrans-142.61.8161.9-88.4-60.7-179.900115.4
602N43.2Very low43.9Very low113 Ų113119.7 Ų119.760%0.60468%0.678SS**  trans-1147.7-159.4-63.135.6000115.8L606N602-L606 WeakPolarHBondContact O-CD1 3.42Å
603N42.6Very low45.1Very low130 Ų130115.7 Ų115.770%0.69567%0.665SS**Hα-helixtrans-82.7-28-168.7-76.5-4.1000115S607N603-S607 PolarHBondContact O-N 3.29Å
604E42.9Very low46Very low161 Ų161113.4 Ų113.475%0.75265%0.652SS**Hα-helixtrans-81.7-36.3-178.1-77.1165.9132.700112.8L606 S607 L608E604-L606 VanDerWaalsContact C-N 3.34Å; E604-L606 PolarHBondContact O-N 3.25Å; E604-S607 WeakPolarHBondContact O-CA 3.28Å; E604-S607 VanDerWaalsContact O-CB 3.31Å; E604-S607 WeakPolarHBondContact O-CB 3.43Å; E604-S607 PolarHBondContact O-N 3.29Å; E604-L608 PolarHBondContact O-N 2.84Å
605A48.7Very low46.8Very low72 Ų72116 Ų11660%0.59565%0.646SS**Hα-helixtrans-58.7-42.9173.700000112.4S607 L608 Q609A605-S607 VanDerWaalsContact C-N 3.32Å; A605-S607 PolarHBondContact O-N 3.43Å; A605-L608 PolarHBondContact O-N 2.83Å; A605-Q609 WeakPolarHBondContact O-CB 3.23Å; A605-Q609 PolarHBondContact O-N 3.03Å
606L50.8Low47.9Very low112 Ų112116.9 Ų116.959%0.58664%0.639SS**Hα-helixtrans-69.1-27.9173-89.8115.8000113N602 E604 K610N602-L606 WeakPolarHBondContact O-CD1 3.42Å; E604-L606 VanDerWaalsContact C-N 3.34Å; E604-L606 PolarHBondContact O-N 3.25Å; L606-K610 WeakPolarHBondContact O-CB 3.45Å; L606-K610 PolarHBondContact O-N 3.18Å
607S51.1Low48.8Very low76 Ų76111 Ų11153%0.53161%0.614SS.*Hα-helixtrans-68.7-47.2173.8-163.40000111.1N603 E604 A605 K610 A611N603-S607 PolarHBondContact O-N 3.29Å; E604-S607 WeakPolarHBondContact O-CA 3.28Å; E604-S607 VanDerWaalsContact O-CB 3.31Å; E604-S607 WeakPolarHBondContact O-CB 3.43Å; E604-S607 PolarHBondContact O-N 3.29Å; A605-S607 VanDerWaalsContact C-N 3.32Å; A605-S607 PolarHBondContact O-N 3.43Å; S607-K610 PolarHBondContact O-N 3.33Å; S607-A611 WeakPolarHBondContact O-CB 3.41Å; S607-A611 PolarHBondContact O-N 3.35Å
608L54.3Low49.4Very low91 Ų91112.6 Ų112.648%0.47661%0.605SS.*Hα-helixtrans-64.8-42.1175.6-71.7176.1000112.2F286 E604 A605 K610 A611 L612F286-L608 HydrophobicContact CD2-CD1 4.38Å; F286-L608 HydrophobicContact CE2-CD1 4.16Å; E604-L608 PolarHBondContact O-N 2.84Å; A605-L608 PolarHBondContact O-N 2.83Å; L608-K610 VanDerWaalsContact C-N 3.31Å; L608-K610 PolarHBondContact O-N 3.11Å; L608-A611 PolarHBondContact O-N 3.07Å; L608-L612 WeakPolarHBondContact O-CB 3.32Å; L608-L612 WeakPolarHBondContact O-CG 3.34Å; L608-L612 PolarHBondContact O-N 2.9Å
609Q55.8Low50.1Low128 Ų128113.8 Ų113.860%0.59860%0.599SS**Hα-helixtrans-60.4-42.3174.7-168176.919.900111.1A605 L612 S613A605-Q609 WeakPolarHBondContact O-CB 3.23Å; A605-Q609 PolarHBondContact O-N 3.03Å; Q609-L612 PolarHBondContact O-N 3.38Å; Q609-S613 PolarHBondContact O-N 2.81Å; Q609-S613 PolarHBondContact O-OG 3Å; Q609-S613 VanDerWaalsContact O-OG 3.08Å
610K62.9Low50.7Low152 Ų152112.7 Ų112.766%0.66159%0.585SS**Hα-helixtrans-72.1-30178-160.2169.3-170.5174.60113L606 S607 L608 N614L606-K610 WeakPolarHBondContact O-CB 3.45Å; L606-K610 PolarHBondContact O-N 3.18Å; S607-K610 PolarHBondContact O-N 3.33Å; L608-K610 VanDerWaalsContact C-N 3.31Å; L608-K610 PolarHBondContact O-N 3.11Å; K610-N614 WeakPolarHBondContact O-CB 3.5Å; K610-N614 PolarHBondContact O-N 2.84Å
611A63.9Low51.6Low49 Ų49110.4 Ų110.441%0.40558%0.577SS.*Hα-helixtrans-68.4-42.1170.200000111.6S607 L608 N614 M615S607-A611 WeakPolarHBondContact O-CB 3.41Å; S607-A611 PolarHBondContact O-N 3.35Å; L608-A611 PolarHBondContact O-N 3.07Å; A611-N614 CarbonylContact O-C 3.56Å; A611-N614 PolarHBondContact O-N 2.93Å; A611-M615 WeakPolarHBondContact O-CG 3.48Å; A611-M615 PolarHBondContact O-N 3.49Å
612L56.4Low52.3Low103 Ų103106.4 Ų106.454%0.53956%0.558SS.*Hα-helixtrans-65.4-41.9173.5-75.3166.3000111.8L608 Q609 N614 M615 H616L608-L612 WeakPolarHBondContact O-CB 3.32Å; L608-L612 WeakPolarHBondContact O-CG 3.34Å; L608-L612 PolarHBondContact O-N 2.9Å; Q609-L612 PolarHBondContact O-N 3.38Å; L612-N614 VanDerWaalsContact C-N 3.31Å; L612-N614 PolarHBondContact O-N 2.83Å; L612-M615 WeakPolarHBondContact O-CB 3.31Å; L612-M615 PolarHBondContact O-N 2.82Å; L612-M615 VanDerWaalsContact O-N 3.15Å; L612-H616 PolarHBondContact O-N 3.49Å; L612-H616 PolarHBondContact O-ND1 3.18Å
613S60.2Low52.3Low68 Ų68103.3 Ų103.348%0.47655%0.546SS..Hα-helixtrans-62-37.7171.6-600000112.1Q609 H616 A617Q609-S613 PolarHBondContact O-N 2.81Å; Q609-S613 PolarHBondContact O-OG 3Å; Q609-S613 VanDerWaalsContact O-OG 3.08Å; S613-H616 PolarHBondContact O-N 3.42Å; S613-A617 VanDerWaalsContact O-CB 3.23Å; S613-A617 WeakPolarHBondContact O-CB 3.36Å; S613-A617 PolarHBondContact O-N 2.74Å
614N55.5Low52.3Low98 Ų98102.5 Ų102.552%0.52454%0.538SS..Hα-helixtrans-72.4-25.3173.8-81-3000113.4K610 A611 L612 R618K610-N614 WeakPolarHBondContact O-CB 3.5Å; K610-N614 PolarHBondContact O-N 2.84Å; A611-N614 CarbonylContact O-C 3.56Å; A611-N614 PolarHBondContact O-N 2.93Å; L612-N614 VanDerWaalsContact C-N 3.31Å; L612-N614 PolarHBondContact O-N 2.83Å; N614-R618 VanDerWaalsContact O-CB 3.26Å; N614-R618 WeakPolarHBondContact O-CB 3.29Å; N614-R618 VanDerWaalsContact O-CG 3.26Å; N614-R618 WeakPolarHBondContact O-CG 3.31Å; N614-R618 PolarHBondContact O-N 3.29Å
615M51Low52.3Low128 Ų12897.6 Ų97.663%0.63152%0.521SS*.Hα-helixtrans-72-45.9170.7-77.7-75.8-7400110.9A611 L612 R618 H619A611-M615 WeakPolarHBondContact O-CG 3.48Å; A611-M615 PolarHBondContact O-N 3.49Å; L612-M615 WeakPolarHBondContact O-CB 3.31Å; L612-M615 PolarHBondContact O-N 2.82Å; L612-M615 VanDerWaalsContact O-N 3.15Å; M615-R618 PolarHBondContact O-N 3.49Å; M615-H619 PolarHBondContact O-N 3.38Å
616H54.6Low52.5Low121 Ų12199 Ų9956%0.5652%0.518SS*.Hα-helixtrans-63.4-49.6174.4-71.682.2000110.9L612 S613 R618 H619 D620L612-H616 PolarHBondContact O-N 3.49Å; L612-H616 PolarHBondContact O-ND1 3.18Å; S613-H616 PolarHBondContact O-N 3.42Å; H616-R618 PolarHBondContact O-N 3.13Å; H616-R618 VanDerWaalsContact O-N 3.17Å; H616-H619 CarbonylContact O-C 3.6Å; H616-H619 WeakPolarHBondContact O-CA 3.21Å; H616-H619 WeakPolarHBondContact O-CB 3.2Å; H616-H619 PolarHBondContact O-N 2.7Å; H616-D620 VanDerWaalsContact O-CG 3.32Å; H616-D620 PolarHBondContact O-N 2.96Å
617A53.1Low52.4Low41 Ų4199.1 Ų99.134%0.33952%0.515SS..Hα-helixtrans-60-29.417500000113.2S613 I621S613-A617 VanDerWaalsContact O-CB 3.23Å; S613-A617 WeakPolarHBondContact O-CB 3.36Å; S613-A617 PolarHBondContact O-N 2.74Å; A617-I621 WeakPolarHBondContact O-CB 3.21Å; A617-I621 WeakPolarHBondContact O-CD1 3.18Å; A617-I621 WeakPolarHBondContact O-CG1 3.27Å; A617-I621 PolarHBondContact O-N 3.48Å
618R49.8Very low52.2Low173 Ų173103.9 Ų103.965%0.65353%0.529SS*.Hα-helixtrans-73.5-37.5169.6-85.2177163.4164.5-3.1112.7N614 M615 H616 D620 I621 I622N614-R618 VanDerWaalsContact O-CB 3.26Å; N614-R618 WeakPolarHBondContact O-CB 3.29Å; N614-R618 VanDerWaalsContact O-CG 3.26Å; N614-R618 WeakPolarHBondContact O-CG 3.31Å; N614-R618 PolarHBondContact O-N 3.29Å; M615-R618 PolarHBondContact O-N 3.49Å; H616-R618 PolarHBondContact O-N 3.13Å; H616-R618 VanDerWaalsContact O-N 3.17Å; R618-D620 VanDerWaalsContact C-N 3.31Å; R618-I621 PolarHBondContact O-N 3.44Å; R618-I622 VanDerWaalsContact O-CB 3.3Å; R618-I622 WeakPolarHBondContact O-CB 3.23Å; R618-I622 WeakPolarHBondContact O-CD1 3.3Å; R618-I622 WeakPolarHBondContact O-CG1 3.25Å; R618-I622 PolarHBondContact O-N 2.8Å
619H50Low52.2Low125 Ų125103.3 Ų103.358%0.57953%0.525SS*.Hα-helixtrans-65.1-38172.8-157.7-98.9000111.1M615 H616 I622 S623M615-H619 PolarHBondContact O-N 3.38Å; H616-H619 CarbonylContact O-C 3.6Å; H616-H619 WeakPolarHBondContact O-CA 3.21Å; H616-H619 WeakPolarHBondContact O-CB 3.2Å; H616-H619 PolarHBondContact O-N 2.7Å; H619-I622 PolarHBondContact O-N 2.81Å; H619-S623 WeakPolarHBondContact O-CA 3.28Å; H619-S623 WeakPolarHBondContact O-CB 3.23Å; H619-S623 PolarHBondContact O-N 3.39Å
620D44.7Very low52.6Low81 Ų81100.6 Ų100.643%0.43351%0.512SS..Hα-helixtrans-70.8-42175-63.2-36.9000111.8H616 R618 I622 S623 H624H616-D620 VanDerWaalsContact O-CG 3.32Å; H616-D620 PolarHBondContact O-N 2.96Å; R618-D620 VanDerWaalsContact C-N 3.31Å; D620-I622 PolarHBondContact O-N 2.86Å; D620-S623 PolarHBondContact O-N 3.39Å; D620-H624 WeakPolarHBondContact O-CB 3.11Å; D620-H624 PolarHBondContact O-CD2 2.79Å; D620-H624 PolarHBondContact O-N 2.69Å
621I54.2Low53.7Low118 Ų118100.8 Ų100.861%0.60552%0.515SS*.Hα-helixtrans-64.4-39.7173.5-72.3164.1000111.2A617 R618 S625A617-I621 WeakPolarHBondContact O-CB 3.21Å; A617-I621 WeakPolarHBondContact O-CD1 3.18Å; A617-I621 WeakPolarHBondContact O-CG1 3.27Å; A617-I621 PolarHBondContact O-N 3.48Å; R618-I621 PolarHBondContact O-N 3.44Å; I621-S625 WeakPolarHBondContact O-CB 3.34Å; I621-S625 PolarHBondContact O-N 2.64Å
622I52.3Low55Low94 Ų9498.9 Ų98.948%0.48250%0.498SS..Hα-helixtrans-70.2-43.3175.9-69.6166.7000110.5R618 H619 D620 S625 I626R618-I622 VanDerWaalsContact O-CB 3.3Å; R618-I622 WeakPolarHBondContact O-CB 3.23Å; R618-I622 WeakPolarHBondContact O-CD1 3.3Å; R618-I622 WeakPolarHBondContact O-CG1 3.25Å; R618-I622 PolarHBondContact O-N 2.8Å; H619-I622 PolarHBondContact O-N 2.81Å; D620-I622 PolarHBondContact O-N 2.86Å; I622-S625 PolarHBondContact O-N 3.49Å; I622-S625 PolarHBondContact O-OG 3.22Å; I622-I626 HydrophobicContact CG2-CD1 3.89Å; I622-I626 VanDerWaalsContact O-CG1 3.31Å; I622-I626 WeakPolarHBondContact O-CG1 3.23Å; I622-I626 PolarHBondContact O-N 3.22Å
623S43.9Very low56.8Low48 Ų4898.8 Ų98.834%0.33650%0.498SS..Hα-helixtrans-62-45.2175.8-175.10000111.6H619 D620 S625 I626 Q627H619-S623 WeakPolarHBondContact O-CA 3.28Å; H619-S623 WeakPolarHBondContact O-CB 3.23Å; H619-S623 PolarHBondContact O-N 3.39Å; D620-S623 PolarHBondContact O-N 3.39Å; S623-S625 PolarHBondContact O-N 3.34Å; S623-I626 CarbonylContact O-C 3.58Å; S623-I626 WeakPolarHBondContact O-CA 3.35Å; S623-I626 WeakPolarHBondContact O-CB 3.29Å; S623-I626 PolarHBondContact O-N 3.17Å; S623-I626 VanDerWaalsContact O-N 3.1Å; S623-Q627 WeakPolarHBondContact O-CB 3.36Å; S623-Q627 PolarHBondContact O-N 3.35Å
624H41.3Very low58.5Low114 Ų11495.7 Ų95.753%0.52848%0.477SS..Hα-helixtrans-63.4-36.7172.3-66.9-17.5000111.9D620 I626 Q627 E628D620-H624 WeakPolarHBondContact O-CB 3.11Å; D620-H624 PolarHBondContact O-CD2 2.79Å; D620-H624 PolarHBondContact O-N 2.69Å; H624-I626 VanDerWaalsContact C-N 3.31Å; H624-I626 PolarHBondContact O-N 2.8Å; H624-Q627 CarbonylContact O-C 3.47Å; H624-Q627 PolarHBondContact O-N 2.82Å; H624-Q627 VanDerWaalsContact O-N 3.15Å; H624-E628 PolarHBondContact O-N 3.39Å
625S44.7Very low60.3Low58 Ų5896.9 Ų96.941%0.40648%0.477SS..Hα-helixtrans-66.9-30.7171.879.80000113.2I621 I622 S623 Q627 M629I621-S625 WeakPolarHBondContact O-CB 3.34Å; I621-S625 PolarHBondContact O-N 2.64Å; I622-S625 PolarHBondContact O-N 3.49Å; I622-S625 PolarHBondContact O-OG 3.22Å; S623-S625 PolarHBondContact O-N 3.34Å; S625-Q627 VanDerWaalsContact C-N 3.34Å; S625-M629 VanDerWaalsContact O-CB 3.3Å; S625-M629 WeakPolarHBondContact O-CB 2.9Å; S625-M629 PolarHBondContact O-N 2.85Å
626I52.6Low62.5Low102 Ų10294 Ų9452%0.52347%0.467SS..Hα-helixtrans-74.8-27.9173.2-69.5164.8000110.9I622 S623 H624 M629I622-I626 HydrophobicContact CG2-CD1 3.89Å; I622-I626 VanDerWaalsContact O-CG1 3.31Å; I622-I626 WeakPolarHBondContact O-CG1 3.23Å; I622-I626 PolarHBondContact O-N 3.22Å; S623-I626 CarbonylContact O-C 3.58Å; S623-I626 WeakPolarHBondContact O-CA 3.35Å; S623-I626 WeakPolarHBondContact O-CB 3.29Å; S623-I626 PolarHBondContact O-N 3.17Å; S623-I626 VanDerWaalsContact O-N 3.1Å; H624-I626 VanDerWaalsContact C-N 3.31Å; H624-I626 PolarHBondContact O-N 2.8Å; I626-M629 HydrophobicContact CG1-CE 4.5Å; I626-M629 CarbonylContact O-C 3.59Å
627Q47.8Very low64.5Low113 Ų11388.6 Ų88.653%0.52844%0.442SS..Hα-helixtrans-86.9-32.4178.9-165.7130.162.600113.3S623 H624 S625 M629 E630S623-Q627 WeakPolarHBondContact O-CB 3.36Å; S623-Q627 PolarHBondContact O-N 3.35Å; H624-Q627 CarbonylContact O-C 3.47Å; H624-Q627 PolarHBondContact O-N 2.82Å; H624-Q627 VanDerWaalsContact O-N 3.15Å; S625-Q627 VanDerWaalsContact C-N 3.34Å; Q627-M629 PolarHBondContact O-N 3.46Å; Q627-E630 PolarHBondContact NE2-OE2 2.78Å; Q627-E630 WeakPolarHBondContact O-CB 3.32Å; Q627-E630 PolarHBondContact O-N 3.47Å
628E46.6Very low66.6Low177 Ų17786.7 Ų86.783%0.82743%0.426SS*.Hα-helixtrans-66-27.7164.6-73-169.6143.100111.1H624 E630H624-E628 PolarHBondContact O-N 3.39Å; E628-E630 PolarHBondContact O-N 2.91Å
629M54.3Low68.8Low78 Ų7883.7 Ų83.738%0.38442%0.419SS..THydrogen-bonded Turntrans-78.99.9169.2-172.31604300113.3S625 I626 Q627 W691S625-M629 VanDerWaalsContact O-CB 3.3Å; S625-M629 WeakPolarHBondContact O-CB 2.9Å; S625-M629 PolarHBondContact O-N 2.85Å; I626-M629 HydrophobicContact CG1-CE 4.5Å; I626-M629 CarbonylContact O-C 3.59Å; Q627-M629 PolarHBondContact O-N 3.46Å; M629-W691 HydrophobicContact CG-CH2 4.46Å; M629-W691 HydrophobicContact SD-CE3 4.26Å; M629-W691 HydrophobicContact SD-CH2 3.65Å; M629-W691 HydrophobicContact SD-CZ2 4.5Å; M629-W691 HydrophobicContact SD-CZ3 3.5Å; M629-W691 WeakPolarHBondContact SD-CZ3 3.31Å
630E65.6Low71.1Confident72 Ų7284.6 Ų84.634%0.33642%0.417SS..THydrogen-bonded Turntrans-86.8-0.2-177.9-168.5152.5-146.300115.3Q627 E628 W677 R684Q627-E630 PolarHBondContact NE2-OE2 2.78Å; Q627-E630 WeakPolarHBondContact O-CB 3.32Å; Q627-E630 PolarHBondContact O-N 3.47Å; E628-E630 PolarHBondContact O-N 2.91Å; E630-W677 VanDerWaalsContact O-CE2 3.32Å; E630-W677 PolarHBondContact O-NE1 3.16Å; E630-R684 IonicContact OE1-NH1 3.69Å; E630-R684 PolarHBondContact OE1-NH1 3.41Å; E630-R684 VanDerWaalsContact OE1-NH1 3.12Å
631E85.4Confident73.6Confident155 Ų15580.8 Ų80.872%0.72440%0.397SS*.  trans-123.9104.7168.4-174149.2-133.900114.3
632I90.6Very high75.7Confident10 Ų1076.8 Ų76.85%0.05138%0.379CS..  trans-105.7117.9175.9-63.2177.7000109.5T634 L637 W677 R688 W691I632-T634 PolarHBondContact O-N 3.29Å; I632-L637 HydrophobicContact CG2-CB 4.3Å; I632-L637 HydrophobicContact CG2-CD2 3.55Å; I632-W677 HydrophobicContact CB-CD2 4.3Å; I632-W677 HydrophobicContact CB-CE3 3.9Å; I632-W677 HydrophobicContact CB-CH2 4.29Å; I632-W677 HydrophobicContact CB-CZ3 3.9Å; I632-W677 HydrophobicContact CD1-CH2 3.87Å; I632-W677 HydrophobicContact CD1-CZ3 3.99Å; I632-W677 HydrophobicContact CG1-CH2 4.19Å; I632-W677 HydrophobicContact CG1-CZ3 4.26Å; I632-W677 WeakPolarHBondContact O-CB 3.48Å; I632-R688 HydrophobicContact CD1-CG 4.16Å; I632-W691 HydrophobicContact CD1-CB 3.96Å; I632-W691 HydrophobicContact CD1-CD2 4.5Å; I632-W691 HydrophobicContact CD1-CG 3.93Å
633N94.1Very high77.8Confident100 Ų10075.7 Ų75.754%0.53538%0.38SS..  trans-66.796.9170.3-172.2-47.3000110.5K635 V636 L637N633-K635 VanDerWaalsContact C-N 3.3Å; N633-K635 PolarHBondContact O-N 2.97Å; N633-K635 PolarHBondContact OD1-N 3.42Å; N633-V636 HydrophobicContact CB-CB 4.26Å; N633-V636 HydrophobicContact CB-CG2 4.39Å; N633-V636 PolarHBondContact O-N 2.82Å; N633-V636 WeakPolarHBondContact OD1-CG2 3.4Å; N633-V636 PolarHBondContact OD1-N 3.4Å; N633-L637 WeakPolarHBondContact O-CB 3.47Å; N633-L637 PolarHBondContact O-N 3.3Å
634T95.6Very high80.3Confident4 Ų474.2 Ų74.23%0.02537%0.368CS..Hα-helixtrans-62.1-33.7-174.952.20000113I632 A638 K675 W677 L680 F687I632-T634 PolarHBondContact O-N 3.29Å; T634-A638 WeakPolarHBondContact O-CB 3.29Å; T634-A638 PolarHBondContact O-N 2.94Å; T634-K675 WeakPolarHBondContact CB-O 3.48Å; T634-K675 PolarHBondContact OG1-O 3.43Å; T634-W677 HydrophobicContact CG2-CB 4.13Å; T634-W677 HydrophobicContact CG2-CE3 3.93Å; T634-L680 HydrophobicContact CG2-CD1 3.8Å; T634-F687 HydrophobicContact CG2-CD1 3.96Å; T634-F687 HydrophobicContact CG2-CD2 4.14Å; T634-F687 HydrophobicContact CG2-CE1 4.11Å; T634-F687 HydrophobicContact CG2-CE2 4.28Å; T634-F687 HydrophobicContact CG2-CG 3.98Å; T634-F687 HydrophobicContact CG2-CZ 4.26Å
635K94.9Very high82.9Confident123 Ų12369.3 Ų69.354%0.53535%0.345SS..Hα-helixtrans-66.6-50.1177.2-168.9175.2-177.8177.70110.6N633 A638 H639 P674N633-K635 VanDerWaalsContact C-N 3.3Å; N633-K635 PolarHBondContact O-N 2.97Å; N633-K635 PolarHBondContact OD1-N 3.42Å; K635-A638 PolarHBondContact O-N 3.16Å; K635-H639 PolarHBondContact O-N 3.47Å; K635-H639 PolarHBondContact O-ND1 2.89Å; K635-P674 HydrophobicContact CB-CG 4.33Å; K635-P674 HydrophobicContact CG-CG 4.47Å
636V96.1Very high85.4Confident68 Ų6874.6 Ų74.641%0.41236%0.361SS..Hα-helixtrans-64-43177.3174.30000111.2N633 H639 R640N633-V636 HydrophobicContact CB-CB 4.26Å; N633-V636 HydrophobicContact CB-CG2 4.39Å; N633-V636 PolarHBondContact O-N 2.82Å; N633-V636 WeakPolarHBondContact OD1-CG2 3.4Å; N633-V636 PolarHBondContact OD1-N 3.4Å; V636-H639 PolarHBondContact O-N 3.23Å; V636-R640 WeakPolarHBondContact O-CG 3.39Å; V636-R640 PolarHBondContact O-N 3.03Å
637L96.7Very high87.5Confident7 Ų777.7 Ų77.74%0.03737%0.366CS..Hα-helixtrans-61.7-46.5177.5177.258.8000112.2I632 N633 H639 R640 I641 F687 M690 W691 L694I632-L637 HydrophobicContact CG2-CB 4.3Å; I632-L637 HydrophobicContact CG2-CD2 3.55Å; N633-L637 WeakPolarHBondContact O-CB 3.47Å; N633-L637 PolarHBondContact O-N 3.3Å; L637-H639 VanDerWaalsContact C-N 3.27Å; L637-H639 PolarHBondContact O-N 3.45Å; L637-R640 PolarHBondContact O-N 2.88Å; L637-R640 VanDerWaalsContact O-N 3.16Å; L637-I641 HydrophobicContact CD1-CD1 4.39Å; L637-I641 HydrophobicContact CD1-CG1 3.95Å; L637-I641 HydrophobicContact CG-CG1 4.37Å; L637-I641 WeakPolarHBondContact O-CG1 3.42Å; L637-I641 PolarHBondContact O-N 3.35Å; L637-F687 HydrophobicContact CD2-CB 4.23Å; L637-F687 HydrophobicContact CD2-CD1 4.12Å; L637-F687 WeakPolarHBondContact CD2-O 3.19Å; L637-M690 HydrophobicContact CD1-CB 4.46Å; L637-M690 HydrophobicContact CD2-CB 4.13Å; L637-M690 HydrophobicContact CG-CB 4.38Å; L637-W691 HydrophobicContact CD1-CB 4.32Å; L637-W691 HydrophobicContact CD2-CB 3.83Å; L637-L694 HydrophobicContact CD1-CD2 3.86Å
638A97.3Very high89.7Confident0 Ų075.5 Ų75.50%035%0.353CS..Hα-helixtrans-58.7-38.3177.100000112.6T634 K635 S642 L671 P674T634-A638 WeakPolarHBondContact O-CB 3.29Å; T634-A638 PolarHBondContact O-N 2.94Å; K635-A638 PolarHBondContact O-N 3.16Å; A638-S642 VanDerWaalsContact O-CB 3.3Å; A638-S642 WeakPolarHBondContact O-CB 3.31Å; A638-S642 PolarHBondContact O-N 3.06Å; A638-S642 PolarHBondContact O-OG 3.02Å; A638-L671 HydrophobicContact CB-CD2 4.02Å; A638-P674 HydrophobicContact CB-CB 4.04Å; A638-P674 HydrophobicContact CB-CG 3.9Å
639H96.9Very high92Very high110 Ų11072 Ų7251%0.50935%0.348SS..Hα-helixtrans-68.1-44.3174.5-7472.7000111.7K635 V636 L637 I641 S642 S643K635-H639 PolarHBondContact O-N 3.47Å; K635-H639 PolarHBondContact O-ND1 2.89Å; V636-H639 PolarHBondContact O-N 3.23Å; L637-H639 VanDerWaalsContact C-N 3.27Å; L637-H639 PolarHBondContact O-N 3.45Å; H639-I641 PolarHBondContact O-N 3.11Å; H639-S642 PolarHBondContact O-N 2.86Å; H639-S643 PolarHBondContact O-N 2.86Å; H639-S643 PolarHBondContact O-OG 2.84Å
640R97.1Very high93.9Very high145 Ų14569.2 Ų69.255%0.54734%0.335SS..Hα-helixtrans-59.7-47.6176.3-71-175.8-177.8-168.60.8111.8V636 L637 S642 S643 E644 L694V636-R640 WeakPolarHBondContact O-CG 3.39Å; V636-R640 PolarHBondContact O-N 3.03Å; L637-R640 PolarHBondContact O-N 2.88Å; L637-R640 VanDerWaalsContact O-N 3.16Å; R640-S642 PolarHBondContact O-N 2.76Å; R640-S643 PolarHBondContact O-N 2.92Å; R640-E644 WeakPolarHBondContact O-CB 3.31Å; R640-E644 PolarHBondContact O-N 2.79Å; R640-L694 HydrophobicContact CB-CD2 3.68Å; R640-L694 HydrophobicContact CG-CD2 4.42Å
641I97.8Very high95.4Very high0 Ų069.5 Ų69.50%034%0.343CS..Hα-helixtrans-59.8-44.9175.3-64.8-69.8000111.2L637 H639 S643 E644 L645 F655 L671 M690 W693 L694L637-I641 HydrophobicContact CD1-CD1 4.39Å; L637-I641 HydrophobicContact CD1-CG1 3.95Å; L637-I641 HydrophobicContact CG-CG1 4.37Å; L637-I641 WeakPolarHBondContact O-CG1 3.42Å; L637-I641 PolarHBondContact O-N 3.35Å; H639-I641 PolarHBondContact O-N 3.11Å; I641-S643 VanDerWaalsContact C-N 3.3Å; I641-S643 PolarHBondContact O-N 3.31Å; I641-E644 PolarHBondContact O-N 3.26Å; I641-L645 HydrophobicContact CG2-CD1 3.86Å; I641-L645 HydrophobicContact CG2-CG 4.22Å; I641-L645 VanDerWaalsContact O-CG 3.3Å; I641-L645 WeakPolarHBondContact O-CG 3.29Å; I641-L645 PolarHBondContact O-N 3.03Å; I641-F655 HydrophobicContact CD1-CZ 4.21Å; I641-F655 HydrophobicContact CG2-CE1 3.88Å; I641-F655 HydrophobicContact CG2-CZ 4.25Å; I641-L671 HydrophobicContact CB-CD2 4.07Å; I641-L671 HydrophobicContact CG2-CD1 4.36Å; I641-L671 HydrophobicContact CG2-CD2 3.85Å; I641-M690 HydrophobicContact CD1-CB 3.94Å; I641-M690 HydrophobicContact CD1-CG 4.47Å; I641-M690 WeakPolarHBondContact CD1-O 3.36Å; I641-M690 HydrophobicContact CG1-CB 3.99Å; I641-M690 HydrophobicContact CG1-CG 4.34Å; I641-M690 HydrophobicContact CG1-SD 4.47Å; I641-W693 HydrophobicContact CD1-CE3 4.05Å; I641-W693 HydrophobicContact CD1-CZ3 4.27Å; I641-L694 HydrophobicContact CD1-CB 4.18Å; I641-L694 HydrophobicContact CD1-CD1 4.37Å
642S97.3Very high95.9Very high34 Ų3464.9 Ų64.924%0.23832%0.322CS..Hα-helixtrans-62.1-37.4179-61.40000112.7A638 H639 R640 K646A638-S642 VanDerWaalsContact O-CB 3.3Å; A638-S642 WeakPolarHBondContact O-CB 3.31Å; A638-S642 PolarHBondContact O-N 3.06Å; A638-S642 PolarHBondContact O-OG 3.02Å; H639-S642 PolarHBondContact O-N 2.86Å; R640-S642 PolarHBondContact O-N 2.76Å; S642-K646 VanDerWaalsContact O-CG 3.31Å; S642-K646 WeakPolarHBondContact O-CG 3.45Å; S642-K646 PolarHBondContact O-N 2.91Å
643S96.9Very high96.1Very high71 Ų7166.2 Ų66.250%0.49733%0.334SS..Hα-helixtrans-71.4-38.9174.3-65.10000112.6H639 R640 I641 K646 R647H639-S643 PolarHBondContact O-N 2.86Å; H639-S643 PolarHBondContact O-OG 2.84Å; R640-S643 PolarHBondContact O-N 2.92Å; I641-S643 VanDerWaalsContact C-N 3.3Å; I641-S643 PolarHBondContact O-N 3.31Å; S643-K646 PolarHBondContact O-N 2.96Å; S643-R647 WeakPolarHBondContact O-CB 3.39Å; S643-R647 PolarHBondContact O-N 3.16Å
644E96.5Very high96.1Very high18 Ų1863.6 Ų63.68%0.08432%0.322CS..Hα-helixtrans-70.8-41.7-178.6-151.773163.100111.9R640 I641 K646 R647 Y648 W693 L694 R701R640-E644 WeakPolarHBondContact O-CB 3.31Å; R640-E644 PolarHBondContact O-N 2.79Å; I641-E644 PolarHBondContact O-N 3.26Å; E644-K646 VanDerWaalsContact C-N 3.28Å; E644-K646 PolarHBondContact O-N 2.92Å; E644-R647 PolarHBondContact O-N 2.74Å; E644-R647 IonicContact OE1-NH1 2.81Å; E644-R647 PolarHBondContact OE1-NH1 3.2Å; E644-R647 IonicContact OE2-CZ 2.69Å; E644-R647 VanDerWaalsContact OE2-CZ 3.29Å; E644-R647 IonicContact OE2-NE 2.72Å; E644-R647 IonicContact OE2-NH1 2.72Å; E644-R647 PolarHBondContact OE2-NH1 3.02Å; E644-Y648 HydrophobicContact CG-CD2 4.11Å; E644-Y648 HydrophobicContact CG-CE2 3.92Å; E644-Y648 WeakPolarHBondContact O-CD2 3.39Å; E644-Y648 PolarHBondContact O-N 3.41Å; E644-W693 HydrophobicContact CB-CZ3 4.38Å; E644-W693 HydrophobicContact CG-CH2 4.24Å; E644-W693 HydrophobicContact CG-CZ3 4.18Å; E644-L694 HydrophobicContact CB-CD1 4.34Å; E644-L694 HydrophobicContact CG-CD1 4.24Å; E644-R701 IonicContact OE1-CZ 3.98Å; E644-R701 VanDerWaalsContact OE1-CZ 3.23Å; E644-R701 IonicContact OE1-NH1 2.69Å; E644-R701 PolarHBondContact OE1-NH1 3.23Å; E644-R701 IonicContact OE1-NH2 3.93Å; E644-R701 PolarHBondContact OE1-NH2 2.95Å
645L96.9Very high96.2Very high10 Ų1063.4 Ų63.45%0.05232%0.321CS..Hα-helixtrans-61.3-37.6172.8-65.5176.2000111.7I641 S649 I650 Q652 F655 L667 L671 W693I641-L645 HydrophobicContact CG2-CD1 3.86Å; I641-L645 HydrophobicContact CG2-CG 4.22Å; I641-L645 VanDerWaalsContact O-CG 3.3Å; I641-L645 WeakPolarHBondContact O-CG 3.29Å; I641-L645 PolarHBondContact O-N 3.03Å; L645-S649 CarbonylContact O-C 3.56Å; L645-S649 PolarHBondContact O-N 3.23Å; L645-I650 HydrophobicContact CD2-CB 3.71Å; L645-I650 HydrophobicContact CD2-CD1 4.07Å; L645-I650 HydrophobicContact CD2-CG2 3.64Å; L645-I650 PolarHBondContact O-N 2.85Å; L645-Q652 HydrophobicContact CD1-CG 4.4Å; L645-F655 HydrophobicContact CD1-CB 4.28Å; L645-F655 HydrophobicContact CD1-CD1 4.01Å; L645-F655 HydrophobicContact CD1-CG 4.18Å; L645-F655 HydrophobicContact CD2-CB 3.69Å; L645-F655 HydrophobicContact CD2-CD1 4.3Å; L645-F655 HydrophobicContact CD2-CD2 3.86Å; L645-F655 HydrophobicContact CD2-CG 3.69Å; L645-L667 HydrophobicContact CD1-CD2 4.46Å; L645-L671 HydrophobicContact CD1-CD1 4.39Å; L645-W693 HydrophobicContact CD2-CH2 4.49Å
646K96.3Very high96.3Very high170 Ų17057.6 Ų57.674%0.73930%0.295SS*.Hα-helixtrans-68-43.6173-76.6178.9176.1-169.10112.7S642 S643 E644 Y648 S649S642-K646 VanDerWaalsContact O-CG 3.31Å; S642-K646 WeakPolarHBondContact O-CG 3.45Å; S642-K646 PolarHBondContact O-N 2.91Å; S643-K646 PolarHBondContact O-N 2.96Å; E644-K646 VanDerWaalsContact C-N 3.28Å; E644-K646 PolarHBondContact O-N 2.92Å; K646-Y648 VanDerWaalsContact C-N 3.28Å; K646-Y648 PolarHBondContact O-N 2.87Å; K646-S649 PolarHBondContact O-N 2.81Å
647R95.8Very high96.2Very high166 Ų16659.2 Ų59.263%0.62630%0.298SS*.Hα-helixtrans-56.6-40.5-178.4175.5-177.8-71.61563.6112.5S643 E644S643-R647 WeakPolarHBondContact O-CB 3.39Å; S643-R647 PolarHBondContact O-N 3.16Å; E644-R647 PolarHBondContact O-N 2.74Å; E644-R647 IonicContact OE1-NH1 2.81Å; E644-R647 PolarHBondContact OE1-NH1 3.2Å; E644-R647 IonicContact OE2-CZ 2.69Å; E644-R647 VanDerWaalsContact OE2-CZ 3.29Å; E644-R647 IonicContact OE2-NE 2.72Å; E644-R647 IonicContact OE2-NH1 2.72Å; E644-R647 PolarHBondContact OE2-NH1 3.02Å
648Y95Very high96Very high67 Ų6761.2 Ų61.226%0.26331%0.305SS..THydrogen-bonded Turntrans-103.310.8-178.1-62.2-71.5000113.7E644 K646 I650 E698 R701 M702E644-Y648 HydrophobicContact CG-CD2 4.11Å; E644-Y648 HydrophobicContact CG-CE2 3.92Å; E644-Y648 WeakPolarHBondContact O-CD2 3.39Å; E644-Y648 PolarHBondContact O-N 3.41Å; K646-Y648 VanDerWaalsContact C-N 3.28Å; K646-Y648 PolarHBondContact O-N 2.87Å; Y648-I650 HydrophobicContact CD2-CD1 4.34Å; Y648-I650 HydrophobicContact CG-CD1 4.38Å; Y648-I650 PolarHBondContact O-N 3.23Å; Y648-I650 VanDerWaalsContact O-N 3.11Å; Y648-E698 WeakPolarHBondContact CE1-OE1 3.45Å; Y648-E698 VanDerWaalsContact OH-CD 3.22Å; Y648-E698 PolarHBondContact OH-OE1 3.05Å; Y648-R701 PolarHBondContact OH-NH2 3.26Å; Y648-M702 HydrophobicContact CD1-CE 4.36Å
649S94.7Very high95.8Very high103 Ų10362.4 Ų62.472%0.7231%0.311SS*.THydrogen-bonded Turntrans51.930.2-176.3-59.40000114.7L645 K646 P651L645-S649 CarbonylContact O-C 3.56Å; L645-S649 PolarHBondContact O-N 3.23Å; K646-S649 PolarHBondContact O-N 2.81Å; S649-P651 VanDerWaalsContact O-CD 3.31Å; S649-P651 WeakPolarHBondContact O-CD 3.45Å
650I95.1Very high95.7Very high20 Ų2057.2 Ų57.210%0.10329%0.287CS..  trans-75118.3-177.7-59.5157.5000109L645 Y648 Q652 F655 W693 L705L645-I650 HydrophobicContact CD2-CB 3.71Å; L645-I650 HydrophobicContact CD2-CD1 4.07Å; L645-I650 HydrophobicContact CD2-CG2 3.64Å; L645-I650 PolarHBondContact O-N 2.85Å; Y648-I650 HydrophobicContact CD2-CD1 4.34Å; Y648-I650 HydrophobicContact CG-CD1 4.38Å; Y648-I650 PolarHBondContact O-N 3.23Å; Y648-I650 VanDerWaalsContact O-N 3.11Å; I650-Q652 PolarHBondContact O-N 3.25Å; I650-F655 HydrophobicContact CG2-CB 4.37Å; I650-W693 HydrophobicContact CD1-CH2 4.04Å; I650-W693 HydrophobicContact CD1-CZ2 4.15Å; I650-L705 HydrophobicContact CD1-CD1 3.63Å; I650-L705 HydrophobicContact CG1-CD1 3.92Å; I650-L705 HydrophobicContact CG2-CD1 4.08Å; I650-L705 HydrophobicContact CG2-CD2 4.13Å
651P95.3Very high95.5Very high79 Ų7952.8 Ų52.851%0.51328%0.278SS..  trans-64.9135.1178.8-20.232.9000111.2S649 A653 V654 F655S649-P651 VanDerWaalsContact O-CD 3.31Å; S649-P651 WeakPolarHBondContact O-CD 3.45Å; P651-A653 PolarHBondContact O-N 3.38Å; P651-V654 HydrophobicContact CB-CG2 4.18Å; P651-V654 HydrophobicContact CG-CG2 4.22Å; P651-V654 PolarHBondContact O-N 2.94Å; P651-F655 PolarHBondContact O-N 3.37Å
652Q96Very high95.4Very high58 Ų5857.4 Ų57.427%0.27130%0.296SS..Hα-helixtrans-53.3-32.1178.3-79.7-171.8-10.800113.3L645 I650 A656 Q664 L667L645-Q652 HydrophobicContact CD1-CG 4.4Å; I650-Q652 PolarHBondContact O-N 3.25Å; Q652-A656 WeakPolarHBondContact O-CB 3.37Å; Q652-A656 PolarHBondContact O-N 2.72Å; Q652-Q664 HydrophobicContact CB-CG 3.94Å; Q652-L667 HydrophobicContact CB-CD2 3.9Å; Q652-L667 HydrophobicContact CG-CD2 4.08Å; Q652-L667 VanDerWaalsContact O-CD2 3.28Å; Q652-L667 WeakPolarHBondContact O-CD2 3.26Å
653A95.7Very high95.3Very high38 Ų3859 Ų5931%0.31431%0.306SS..Hα-helixtrans-62.5-43.5176.200000112.6P651 Q657 Q664P651-A653 PolarHBondContact O-N 3.38Å; A653-Q657 WeakPolarHBondContact O-CB 3.35Å; A653-Q657 VanDerWaalsContact O-CG 3.23Å; A653-Q657 WeakPolarHBondContact O-CG 3.44Å; A653-Q657 PolarHBondContact O-N 3.36Å; A653-Q664 HydrophobicContact CB-CB 4.09Å; A653-Q664 HydrophobicContact CB-CG 4.23Å
654V94.6Very high95.2Very high45 Ų4559.7 Ų59.727%0.27330%0.302SS..Hα-helixtrans-64.2-51.6177.8-177.30000109.6P651 A656 Q657 R658 L705P651-V654 HydrophobicContact CB-CG2 4.18Å; P651-V654 HydrophobicContact CG-CG2 4.22Å; P651-V654 PolarHBondContact O-N 2.94Å; V654-A656 PolarHBondContact O-N 2.96Å; V654-Q657 PolarHBondContact O-N 3.19Å; V654-R658 HydrophobicContact CG1-CG 3.89Å; V654-R658 WeakPolarHBondContact O-CB 3.47Å; V654-R658 VanDerWaalsContact O-CG 3.27Å; V654-R658 WeakPolarHBondContact O-CG 3.45Å; V654-R658 PolarHBondContact O-N 3.46Å; V654-L705 HydrophobicContact CG1-CD2 4.2Å
655F96.8Very high95.1Very high0 Ų060.3 Ų60.30%031%0.314CS..Hα-helixtrans-60.4-43.2179.4-174.7-104.9000112.8I641 L645 I650 P651 I659 L660 L667 M690 W693 L705I641-F655 HydrophobicContact CD1-CZ 4.21Å; I641-F655 HydrophobicContact CG2-CE1 3.88Å; I641-F655 HydrophobicContact CG2-CZ 4.25Å; L645-F655 HydrophobicContact CD1-CB 4.28Å; L645-F655 HydrophobicContact CD1-CD1 4.01Å; L645-F655 HydrophobicContact CD1-CG 4.18Å; L645-F655 HydrophobicContact CD2-CB 3.69Å; L645-F655 HydrophobicContact CD2-CD1 4.3Å; L645-F655 HydrophobicContact CD2-CD2 3.86Å; L645-F655 HydrophobicContact CD2-CG 3.69Å; I650-F655 HydrophobicContact CG2-CB 4.37Å; P651-F655 PolarHBondContact O-N 3.37Å; F655-I659 HydrophobicContact CD2-CB 3.91Å; F655-I659 HydrophobicContact CD2-CG1 3.54Å; F655-I659 HydrophobicContact CD2-CG2 4.43Å; F655-I659 HydrophobicContact CE2-CB 3.72Å; F655-I659 HydrophobicContact CE2-CG1 3.65Å; F655-I659 HydrophobicContact CE2-CG2 3.74Å; F655-I659 HydrophobicContact CG-CG1 4.43Å; F655-I659 HydrophobicContact CZ-CB 4.24Å; F655-I659 HydrophobicContact CZ-CG2 4.04Å; F655-I659 WeakPolarHBondContact O-CB 3.21Å; F655-I659 PolarHBondContact O-N 3.29Å; F655-L660 HydrophobicContact CD1-CD1 4.13Å; F655-L660 HydrophobicContact CD1-CG 4.49Å; F655-L660 HydrophobicContact CE1-CD1 3.81Å; F655-L660 HydrophobicContact CE1-CD2 4.44Å; F655-L660 HydrophobicContact CE1-CG 4.13Å; F655-L667 HydrophobicContact CB-CD2 4.36Å; F655-L667 HydrophobicContact CD1-CD1 4.15Å; F655-L667 HydrophobicContact CD1-CD2 3.75Å; F655-L667 HydrophobicContact CE1-CD1 4.31Å; F655-M690 HydrophobicContact CE1-CG 4.18Å; F655-M690 HydrophobicContact CZ-CG 4.33Å; F655-W693 HydrophobicContact CD2-CD2 4.43Å; F655-W693 AromaticContact CE2-CD2 3.55Å; F655-W693 HydrophobicContact CE2-CD2 3.55Å; F655-W693 AromaticContact CE2-CE2 3.94Å; F655-W693 AromaticContact CE2-CE3 3.57Å; F655-W693 HydrophobicContact CE2-CE3 3.57Å; F655-W693 AromaticContact CE2-CG 3.99Å; F655-W693 HydrophobicContact CE2-CG 3.99Å; F655-W693 HydrophobicContact CE2-CH2 4.35Å; F655-W693 HydrophobicContact CE2-CZ2 4.33Å; F655-W693 AromaticContact CE2-CZ3 3.99Å; F655-W693 HydrophobicContact CE2-CZ3 3.99Å; F655-W693 HydrophobicContact CZ-CD2 4.34Å; F655-W693 HydrophobicContact CZ-CE3 4.07Å; F655-L705 HydrophobicContact CD2-CD2 4.41Å
656A96.4Very high95Very high0 Ų062.6 Ų62.60%033%0.328CS..Hα-helixtrans-61.9-45.117800000112.2Q652 V654 L660 C661 R662 L667Q652-A656 WeakPolarHBondContact O-CB 3.37Å; Q652-A656 PolarHBondContact O-N 2.72Å; V654-A656 PolarHBondContact O-N 2.96Å; A656-L660 CarbonylContact O-C 3.6Å; A656-C661 PolarHBondContact O-N 2.91Å; A656-R662 CarbonylContact C-O 3.55Å; A656-R662 WeakPolarHBondContact CB-O 3.4Å; A656-R662 PolarHBondContact O-N 3.15Å; A656-L667 HydrophobicContact CB-CB 3.84Å; A656-L667 HydrophobicContact CB-CD2 3.89Å; A656-L667 HydrophobicContact CB-CG 4.5Å
657Q94.7Very high95.1Very high102 Ų10254.5 Ų54.548%0.47729%0.293SS..Hα-helixtrans-70.1-52.5-180-71.5170.6-2.100111.5A653 V654 C661A653-Q657 WeakPolarHBondContact O-CB 3.35Å; A653-Q657 VanDerWaalsContact O-CG 3.23Å; A653-Q657 WeakPolarHBondContact O-CG 3.44Å; A653-Q657 PolarHBondContact O-N 3.36Å; V654-Q657 PolarHBondContact O-N 3.19Å; Q657-C661 WeakPolarHBondContact O-CA 3.4Å; Q657-C661 PolarHBondContact O-N 2.91Å
658R91.6Very high95.1Very high49 Ų4947.4 Ų47.419%0.18527%0.268CS..Hα-helixtrans-78.4-42.8-168.5-54.9-42.6-175.257.7-6113.9V654 L705 A708V654-R658 HydrophobicContact CG1-CG 3.89Å; V654-R658 WeakPolarHBondContact O-CB 3.47Å; V654-R658 VanDerWaalsContact O-CG 3.27Å; V654-R658 WeakPolarHBondContact O-CG 3.45Å; V654-R658 PolarHBondContact O-N 3.46Å; R658-L705 PolarHBondContact NH1-O 3.12Å; R658-A708 HydrophobicContact CG-CB 4.46Å; R658-A708 VanDerWaalsContact CZ-C 3.41Å; R658-A708 VanDerWaalsContact NH1-C 3.28Å; R658-A708 PolarHBondContact NH2-O 3.27Å; R658-A708 VanDerWaalsContact NH2-O 3.1Å
659I94.4Very high95.1Very high25 Ų2548.4 Ų48.413%0.12828%0.278CS..THydrogen-bonded Turntrans-96.1-28-172.3-51.3-55.6000112.1F655 W693 A704 L705F655-I659 HydrophobicContact CD2-CB 3.91Å; F655-I659 HydrophobicContact CD2-CG1 3.54Å; F655-I659 HydrophobicContact CD2-CG2 4.43Å; F655-I659 HydrophobicContact CE2-CB 3.72Å; F655-I659 HydrophobicContact CE2-CG1 3.65Å; F655-I659 HydrophobicContact CE2-CG2 3.74Å; F655-I659 HydrophobicContact CG-CG1 4.43Å; F655-I659 HydrophobicContact CZ-CB 4.24Å; F655-I659 HydrophobicContact CZ-CG2 4.04Å; F655-I659 WeakPolarHBondContact O-CB 3.21Å; F655-I659 PolarHBondContact O-N 3.29Å; I659-W693 HydrophobicContact CG2-CB 3.85Å; I659-W693 HydrophobicContact CG2-CG 4Å; I659-A704 HydrophobicContact CD1-CB 3.71Å; I659-L705 HydrophobicContact CD1-CD2 4.27Å; I659-L705 HydrophobicContact CG1-CD2 4.06Å
660L94.6Very high95.1Very high1 Ų145.5 Ų45.51%0.00526%0.255CS..THydrogen-bonded Turntrans-115.6-16.2-172.3-53.1179.7000114.6F655 A656 R662 L667 T686 R689 M690F655-L660 HydrophobicContact CD1-CD1 4.13Å; F655-L660 HydrophobicContact CD1-CG 4.49Å; F655-L660 HydrophobicContact CE1-CD1 3.81Å; F655-L660 HydrophobicContact CE1-CD2 4.44Å; F655-L660 HydrophobicContact CE1-CG 4.13Å; A656-L660 CarbonylContact O-C 3.6Å; L660-R662 HydrophobicContact CB-CB 4.34Å; L660-R662 HydrophobicContact CB-CG 4.06Å; L660-L667 HydrophobicContact CD1-CD1 3.77Å; L660-T686 HydrophobicContact CB-CG2 4.45Å; L660-T686 HydrophobicContact CD1-CG2 4.16Å; L660-T686 HydrophobicContact CD2-CG2 4.29Å; L660-R689 HydrophobicContact CD2-CB 3.66Å; L660-M690 HydrophobicContact CD1-CE 3.63Å; L660-M690 HydrophobicContact CD1-CG 4.27Å; L660-M690 HydrophobicContact CD2-CG 3.92Å
661C93.5Very high95.1Very high53 Ų5345 Ų4536%0.35825%0.252SS..SBendtrans54.848.4-170.1-46.30000112.1A656 Q657A656-C661 PolarHBondContact O-N 2.91Å; Q657-C661 WeakPolarHBondContact O-CA 3.4Å; Q657-C661 PolarHBondContact O-N 2.91Å
662R94.5Very high95Very high97 Ų9749.8 Ų49.837%0.36626%0.26SS..  trans-133.4164.9-177.7-61.9-61.5172.8-112.97.4112A656 L660 T666A656-R662 CarbonylContact C-O 3.55Å; A656-R662 WeakPolarHBondContact CB-O 3.4Å; A656-R662 PolarHBondContact O-N 3.15Å; L660-R662 HydrophobicContact CB-CB 4.34Å; L660-R662 HydrophobicContact CB-CG 4.06Å; R662-T666 HydrophobicContact CB-CG2 4.3Å; R662-T666 HydrophobicContact CG-CG2 4.43Å
663S95.8Very high94.8Very high66 Ų6652 Ų5246%0.46227%0.274SS..  trans-73.7154.117283.20000111.6G665 T666 L667S663-G665 VanDerWaalsContact C-N 3.27Å; S663-G665 PolarHBondContact O-N 3.46Å; S663-T666 WeakPolarHBondContact O-CB 3.39Å; S663-T666 PolarHBondContact O-N 2.86Å; S663-T666 VanDerWaalsContact O-N 3.16Å; S663-T666 PolarHBondContact OG-N 2.93Å; S663-T666 VanDerWaalsContact OG-N 3.13Å; S663-T666 PolarHBondContact OG-OG1 3.18Å; S663-L667 PolarHBondContact O-N 3.12Å; S663-L667 VanDerWaalsContact O-N 3.17Å
664Q95Very high94.6Very high86 Ų8651.3 Ų51.340%0.40227%0.266SS..Hα-helixtrans-56.1-41.3174.1-178.4-80.3-28.800112Q652 A653 T666 L667 S668Q652-Q664 HydrophobicContact CB-CG 3.94Å; A653-Q664 HydrophobicContact CB-CB 4.09Å; A653-Q664 HydrophobicContact CB-CG 4.23Å; Q664-T666 VanDerWaalsContact C-N 3.33Å; Q664-T666 PolarHBondContact O-N 3.05Å; Q664-L667 WeakPolarHBondContact O-CB 3.41Å; Q664-L667 PolarHBondContact O-N 2.98Å; Q664-L667 VanDerWaalsContact O-N 3.16Å; Q664-S668 PolarHBondContact O-N 2.99Å
665G95.1Very high94.5Very high32 Ų3252.9 Ų52.933%0.3327%0.269SS..Hα-helixtrans-62.1-40.4178.100000112.4S663 L667 S668 D669S663-G665 VanDerWaalsContact C-N 3.27Å; S663-G665 PolarHBondContact O-N 3.46Å; G665-L667 VanDerWaalsContact C-N 3.33Å; G665-L667 PolarHBondContact O-N 2.98Å; G665-S668 PolarHBondContact O-N 3.06Å; G665-D669 PolarHBondContact O-N 3.02Å
666T94.9Very high94.4Very high57 Ų5754.4 Ų54.435%0.3528%0.279SS..Hα-helixtrans-59.7-42.6173.9-48.70000111.5R662 S663 Q664 L670R662-T666 HydrophobicContact CB-CG2 4.3Å; R662-T666 HydrophobicContact CG-CG2 4.43Å; S663-T666 WeakPolarHBondContact O-CB 3.39Å; S663-T666 PolarHBondContact O-N 2.86Å; S663-T666 VanDerWaalsContact O-N 3.16Å; S663-T666 PolarHBondContact OG-N 2.93Å; S663-T666 VanDerWaalsContact OG-N 3.13Å; S663-T666 PolarHBondContact OG-OG1 3.18Å; Q664-T666 VanDerWaalsContact C-N 3.33Å; Q664-T666 PolarHBondContact O-N 3.05Å; T666-L670 HydrophobicContact CG2-CD1 4.14Å; T666-L670 WeakPolarHBondContact O-CB 3.38Å; T666-L670 VanDerWaalsContact O-CG 3.24Å; T666-L670 WeakPolarHBondContact O-CG 3.45Å; T666-L670 PolarHBondContact O-N 3.5Å; T666-L670 VanDerWaalsContact O-N 3.09Å
667L97.4Very high94.2Very high0 Ų054.9 Ų54.90%028%0.281CS..Hα-helixtrans-66.1-44.2176.1177.165000111.9L645 Q652 F655 A656 L660 S663 Q664 G665 D669 L670 L671 M690L645-L667 HydrophobicContact CD1-CD2 4.46Å; Q652-L667 HydrophobicContact CB-CD2 3.9Å; Q652-L667 HydrophobicContact CG-CD2 4.08Å; Q652-L667 VanDerWaalsContact O-CD2 3.28Å; Q652-L667 WeakPolarHBondContact O-CD2 3.26Å; F655-L667 HydrophobicContact CB-CD2 4.36Å; F655-L667 HydrophobicContact CD1-CD1 4.15Å; F655-L667 HydrophobicContact CD1-CD2 3.75Å; F655-L667 HydrophobicContact CE1-CD1 4.31Å; A656-L667 HydrophobicContact CB-CB 3.84Å; A656-L667 HydrophobicContact CB-CD2 3.89Å; A656-L667 HydrophobicContact CB-CG 4.5Å; L660-L667 HydrophobicContact CD1-CD1 3.77Å; S663-L667 PolarHBondContact O-N 3.12Å; S663-L667 VanDerWaalsContact O-N 3.17Å; Q664-L667 WeakPolarHBondContact O-CB 3.41Å; Q664-L667 PolarHBondContact O-N 2.98Å; Q664-L667 VanDerWaalsContact O-N 3.16Å; G665-L667 VanDerWaalsContact C-N 3.33Å; G665-L667 PolarHBondContact O-N 2.98Å; L667-D669 PolarHBondContact O-N 2.75Å; L667-L670 PolarHBondContact O-N 3.22Å; L667-L671 HydrophobicContact CD1-CD1 3.69Å; L667-L671 HydrophobicContact CD1-CD2 4.23Å; L667-L671 HydrophobicContact CD1-CG 3.73Å; L667-L671 HydrophobicContact CD2-CD1 4.36Å; L667-L671 HydrophobicContact CG-CD1 3.79Å; L667-L671 HydrophobicContact CG-CG 4.18Å; L667-L671 WeakPolarHBondContact O-CB 3.31Å; L667-L671 WeakPolarHBondContact O-CG 3.44Å; L667-L671 PolarHBondContact O-N 3.05Å; L667-M690 HydrophobicContact CD1-CE 3.54Å
668S96.7Very high94Very high17 Ų1753.5 Ų53.512%0.11928%0.282CS..Hα-helixtrans-58.4-45.3177.4171.90000111.8Q664 G665 L671 R672Q664-S668 PolarHBondContact O-N 2.99Å; G665-S668 PolarHBondContact O-N 3.06Å; S668-L671 PolarHBondContact O-N 3.32Å; S668-R672 WeakPolarHBondContact O-CB 3.42Å; S668-R672 WeakPolarHBondContact O-CD 3.23Å; S668-R672 WeakPolarHBondContact O-CG 3.44Å; S668-R672 PolarHBondContact O-N 3.22Å; S668-R672 PolarHBondContact OG-NE 3.21Å
669D93.3Very high94Very high88 Ų8856.2 Ų56.247%0.47130%0.296SS..Hα-helixtrans-63.9-43.5177-82.5-0.1000111.7G665 L667 N673G665-D669 PolarHBondContact O-N 3.02Å; L667-D669 PolarHBondContact O-N 2.75Å; D669-N673 PolarHBondContact O-N 2.76Å
670L95.2Very high93.8Very high42 Ų4255.9 Ų55.922%0.2229%0.294CS..Hα-helixtrans-64.2-38.3178.1-75170.2000113.6T666 L667 P674 T686 F687 M690T666-L670 HydrophobicContact CG2-CD1 4.14Å; T666-L670 WeakPolarHBondContact O-CB 3.38Å; T666-L670 VanDerWaalsContact O-CG 3.24Å; T666-L670 WeakPolarHBondContact O-CG 3.45Å; T666-L670 PolarHBondContact O-N 3.5Å; T666-L670 VanDerWaalsContact O-N 3.09Å; L667-L670 PolarHBondContact O-N 3.22Å; L670-P674 WeakPolarHBondContact O-CA 3.36Å; L670-P674 WeakPolarHBondContact O-CB 3.36Å; L670-T686 HydrophobicContact CD1-CG2 3.79Å; L670-F687 HydrophobicContact CD2-CE2 3.89Å; L670-F687 HydrophobicContact CD2-CZ 4.05Å; L670-M690 HydrophobicContact CB-CE 4.49Å; L670-M690 HydrophobicContact CD1-CE 4.42Å
671L96.1Very high93.4Very high10 Ų1065.2 Ų65.25%0.05233%0.334CS..Hα-helixtrans-78.4-31.8-179.5-67.5178.9000112.8A638 I641 L645 L667 S668 M690A638-L671 HydrophobicContact CB-CD2 4.02Å; I641-L671 HydrophobicContact CB-CD2 4.07Å; I641-L671 HydrophobicContact CG2-CD1 4.36Å; I641-L671 HydrophobicContact CG2-CD2 3.85Å; L645-L671 HydrophobicContact CD1-CD1 4.39Å; L667-L671 HydrophobicContact CD1-CD1 3.69Å; L667-L671 HydrophobicContact CD1-CD2 4.23Å; L667-L671 HydrophobicContact CD1-CG 3.73Å; L667-L671 HydrophobicContact CD2-CD1 4.36Å; L667-L671 HydrophobicContact CG-CD1 3.79Å; L667-L671 HydrophobicContact CG-CG 4.18Å; L667-L671 WeakPolarHBondContact O-CB 3.31Å; L667-L671 WeakPolarHBondContact O-CG 3.44Å; L667-L671 PolarHBondContact O-N 3.05Å; S668-L671 PolarHBondContact O-N 3.32Å; L671-M690 HydrophobicContact CD2-CE 4.27Å; L671-M690 HydrophobicContact CD2-SD 4.38Å
672R92.9Very high93Very high179 Ų17968.2 Ų68.268%0.67536%0.356SS*.Hα-helixtrans-79.7-42.7179.7-69.8170.9-174.4-87.83.8112.8S668 P674S668-R672 WeakPolarHBondContact O-CB 3.42Å; S668-R672 WeakPolarHBondContact O-CD 3.23Å; S668-R672 WeakPolarHBondContact O-CG 3.44Å; S668-R672 PolarHBondContact O-N 3.22Å; S668-R672 PolarHBondContact OG-NE 3.21Å; R672-P674 WeakPolarHBondContact O-CD 3.04Å
673N90.6Very high92.8Very high106 Ų10664.9 Ų64.957%0.56735%0.352SS*.SBendtrans-127.862.1-176.5-63.1-73.1000111.4D669 K675D669-N673 PolarHBondContact O-N 2.76Å; N673-K675 PolarHBondContact O-N 3.13Å
674P93.5Very high92.7Very high22 Ų2264.5 Ų64.514%0.14334%0.34CS..PPolyproline II helixtrans-64.3116.7179.526.5-34.1000110.6K635 A638 L670 R672 F687K635-P674 HydrophobicContact CB-CG 4.33Å; K635-P674 HydrophobicContact CG-CG 4.47Å; A638-P674 HydrophobicContact CB-CB 4.04Å; A638-P674 HydrophobicContact CB-CG 3.9Å; L670-P674 WeakPolarHBondContact O-CA 3.36Å; L670-P674 WeakPolarHBondContact O-CB 3.36Å; R672-P674 WeakPolarHBondContact O-CD 3.04Å; P674-F687 HydrophobicContact CB-CE1 4.2Å; P674-F687 HydrophobicContact CB-CZ 4.05Å
675K92.2Very high92.7Very high79 Ų7964 Ų6434%0.34334%0.338SS..PPolyproline II helixtrans-61.8144.1171.6-60.3-173.274.9-155.20110.2T634 N673 K679 L680 W795T634-K675 WeakPolarHBondContact CB-O 3.48Å; T634-K675 PolarHBondContact OG1-O 3.43Å; N673-K675 PolarHBondContact O-N 3.13Å; K675-K679 PolarHBondContact NZ-O 2.7Å; K675-L680 HydrophobicContact CB-CD2 3.94Å; K675-L680 HydrophobicContact CB-CG 4.44Å; K675-L680 HydrophobicContact CD-CD2 4.23Å; K675-W795 HydrophobicContact CD-CZ2 4.49Å
676P93Very high92.7Very high31 Ų3163.1 Ų63.120%0.20133%0.326CS..PPolyproline II helixtrans-61.7147.2172.526.2-33.7000111.2S678 K679 W795P676-S678 PolarHBondContact O-N 2.94Å; P676-K679 HydrophobicContact CG-CB 4.24Å; P676-K679 HydrophobicContact CG-CG 3.83Å; P676-K679 CarbonylContact O-C 3.57Å; P676-K679 PolarHBondContact O-N 2.68Å; P676-W795 HydrophobicContact CG-CB 4.35Å; P676-W795 HydrophobicContact CG-CD2 3.95Å; P676-W795 HydrophobicContact CG-CE3 3.57Å; P676-W795 HydrophobicContact CG-CG 4.29Å; P676-W795 HydrophobicContact CG-CZ3 4.35Å
677W93.6Very high92.8Very high10 Ų1060.4 Ų60.44%0.03831%0.31CS..G310 helixtrans-62-41.3-167.6177.7-99.2000114.3E630 I632 T634 K679 L680 R684 F687 R688E630-W677 VanDerWaalsContact O-CE2 3.32Å; E630-W677 PolarHBondContact O-NE1 3.16Å; I632-W677 HydrophobicContact CB-CD2 4.3Å; I632-W677 HydrophobicContact CB-CE3 3.9Å; I632-W677 HydrophobicContact CB-CH2 4.29Å; I632-W677 HydrophobicContact CB-CZ3 3.9Å; I632-W677 HydrophobicContact CD1-CH2 3.87Å; I632-W677 HydrophobicContact CD1-CZ3 3.99Å; I632-W677 HydrophobicContact CG1-CH2 4.19Å; I632-W677 HydrophobicContact CG1-CZ3 4.26Å; I632-W677 WeakPolarHBondContact O-CB 3.48Å; T634-W677 HydrophobicContact CG2-CB 4.13Å; T634-W677 HydrophobicContact CG2-CE3 3.93Å; W677-K679 PolarHBondContact O-N 2.8Å; W677-L680 HydrophobicContact CE3-CD1 4.05Å; W677-L680 WeakPolarHBondContact O-CB 3.44Å; W677-L680 PolarHBondContact O-N 2.84Å; W677-R684 HydrophobicContact CD2-CG 4.17Å; W677-R684 HydrophobicContact CE3-CB 4.48Å; W677-R684 HydrophobicContact CE3-CG 4.1Å; W677-R684 HydrophobicContact CH2-CB 3.66Å; W677-R684 HydrophobicContact CH2-CG 3.86Å; W677-R684 HydrophobicContact CZ2-CB 4.13Å; W677-R684 HydrophobicContact CZ2-CG 3.9Å; W677-R684 HydrophobicContact CZ3-CB 3.84Å; W677-R684 HydrophobicContact CZ3-CG 3.94Å; W677-F687 HydrophobicContact CZ3-CB 4.09Å; W677-R688 HydrophobicContact CH2-CG 3.96Å
678S90.4Very high92.7Very high73 Ų7365 Ų6551%0.5133%0.327SS..G310 helixtrans-54.7-24.7173.156.80000113.3P676P676-S678 PolarHBondContact O-N 2.94Å
679K90.4Very high92.6Very high107 Ų10768.5 Ų68.547%0.46534%0.337SS..G310 helixtrans-104.714.8-178.5-43.3-77.7-173.9175.80112.2K675 P676 W677 W795K675-K679 PolarHBondContact NZ-O 2.7Å; P676-K679 HydrophobicContact CG-CB 4.24Å; P676-K679 HydrophobicContact CG-CG 3.83Å; P676-K679 CarbonylContact O-C 3.57Å; P676-K679 PolarHBondContact O-N 2.68Å; W677-K679 PolarHBondContact O-N 2.8Å; K679-W795 HydrophobicContact CB-CE3 4.38Å; K679-W795 HydrophobicContact CB-CH2 3.89Å; K679-W795 HydrophobicContact CB-CZ3 3.68Å; K679-W795 HydrophobicContact CD-CZ3 3.81Å; K679-W795 HydrophobicContact CG-CE3 3.96Å; K679-W795 HydrophobicContact CG-CH2 4.11Å; K679-W795 HydrophobicContact CG-CZ3 3.39Å
680L90.9Very high92.8Very high18 Ų1864.3 Ų64.39%0.09432%0.315CS..  trans-101.8128.2167.8-67.4177.7000110.8T634 K675 W677 R684 F687T634-L680 HydrophobicContact CG2-CD1 3.8Å; K675-L680 HydrophobicContact CB-CD2 3.94Å; K675-L680 HydrophobicContact CB-CG 4.44Å; K675-L680 HydrophobicContact CD-CD2 4.23Å; W677-L680 HydrophobicContact CE3-CD1 4.05Å; W677-L680 WeakPolarHBondContact O-CB 3.44Å; W677-L680 PolarHBondContact O-N 2.84Å; L680-R684 HydrophobicContact CB-CG 3.66Å; L680-R684 HydrophobicContact CD1-CG 4.49Å; L680-R684 PolarHBondContact O-NE 2.99Å; L680-F687 HydrophobicContact CD1-CD2 3.5Å; L680-F687 VanDerWaalsContact CD1-CD2 3.5Å; L680-F687 HydrophobicContact CD1-CE2 3.7Å; L680-F687 HydrophobicContact CD1-CG 4.43Å; L680-F687 HydrophobicContact CD2-CE2 4.42Å
681K86Confident92.8Very high197 Ų19766.3 Ų66.386%0.85732%0.32SS*.SBendtrans-96.3-108.3167.4-164166-176.7172.60109.3G683 R684K681-G683 PolarHBondContact O-N 2.98Å; K681-R684 PolarHBondContact O-N 3.07Å
682S85.9Confident92.8Very high116 Ų11671.9 Ų71.981%0.81134%0.343SS*.THydrogen-bonded Turntrans-57-22.6176.151.40000114.9R684S682-R684 VanDerWaalsContact C-N 3.29Å; S682-R684 PolarHBondContact O-N 2.89Å
683G89.9Confident92.9Very high27 Ų2763.6 Ų63.628%0.27831%0.312SS..THydrogen-bonded Turntrans-67.6-17.3178.500000115.8K681 E685 T686K681-G683 PolarHBondContact O-N 2.98Å; G683-E685 PolarHBondContact O-N 3.29Å; G683-T686 PolarHBondContact O-N 3.48Å
684R94.6Very high93.1Very high58 Ų5859.7 Ų59.722%0.21929%0.291CS..Hα-helixtrans-53.7-41-179.7-73.3-176.6-177.1-161.5-4.2112.2E630 W677 L680 K681 S682 T686 F687 R688E630-R684 IonicContact OE1-NH1 3.69Å; E630-R684 PolarHBondContact OE1-NH1 3.41Å; E630-R684 VanDerWaalsContact OE1-NH1 3.12Å; W677-R684 HydrophobicContact CD2-CG 4.17Å; W677-R684 HydrophobicContact CE3-CB 4.48Å; W677-R684 HydrophobicContact CE3-CG 4.1Å; W677-R684 HydrophobicContact CH2-CB 3.66Å; W677-R684 HydrophobicContact CH2-CG 3.86Å; W677-R684 HydrophobicContact CZ2-CB 4.13Å; W677-R684 HydrophobicContact CZ2-CG 3.9Å; W677-R684 HydrophobicContact CZ3-CB 3.84Å; W677-R684 HydrophobicContact CZ3-CG 3.94Å; L680-R684 HydrophobicContact CB-CG 3.66Å; L680-R684 HydrophobicContact CD1-CG 4.49Å; L680-R684 PolarHBondContact O-NE 2.99Å; K681-R684 PolarHBondContact O-N 3.07Å; S682-R684 VanDerWaalsContact C-N 3.29Å; S682-R684 PolarHBondContact O-N 2.89Å; R684-T686 VanDerWaalsContact C-N 3.29Å; R684-T686 PolarHBondContact O-N 3.39Å; R684-F687 PolarHBondContact O-N 3.5Å; R684-R688 PolarHBondContact O-N 2.93Å
685E93.6Very high93.1Very high74 Ų7463.8 Ų63.835%0.34631%0.308SS..Hα-helixtrans-60.2-34-17717655.7-16700113.8G683 F687 R688 R689G683-E685 PolarHBondContact O-N 3.29Å; E685-F687 VanDerWaalsContact C-N 3.32Å; E685-F687 PolarHBondContact O-N 3.03Å; E685-R688 PolarHBondContact O-N 2.84Å; E685-R689 PolarHBondContact O-N 3.34Å; E685-R689 VanDerWaalsContact O-N 3.09Å; E685-R689 IonicContact OE1-CZ 2.67Å; E685-R689 IonicContact OE1-NE 3.82Å; E685-R689 PolarHBondContact OE1-NE 3.08Å; E685-R689 IonicContact OE1-NH2 3.32Å; E685-R689 PolarHBondContact OE1-NH2 2.84Å
686T95.3Very high93.1Very high14 Ų1461.5 Ų61.59%0.08630%0.299CS..Hα-helixtrans-69.3-33.6177.7-52.80000111.3L660 L670 G683 R684 M690L660-T686 HydrophobicContact CB-CG2 4.45Å; L660-T686 HydrophobicContact CD1-CG2 4.16Å; L660-T686 HydrophobicContact CD2-CG2 4.29Å; L670-T686 HydrophobicContact CD1-CG2 3.79Å; G683-T686 PolarHBondContact O-N 3.48Å; R684-T686 VanDerWaalsContact C-N 3.29Å; R684-T686 PolarHBondContact O-N 3.39Å; T686-M690 HydrophobicContact CG2-CE 4.41Å; T686-M690 WeakPolarHBondContact O-CG 3.37Å; T686-M690 PolarHBondContact O-N 3.25Å
687F96.8Very high93.1Very high1 Ų162.9 Ų62.90%0.00431%0.308CS..Hα-helixtrans-76-32.1172.1-73.5-83.4000112.5T634 L637 L670 P674 W677 L680 R684 E685 R689 M690 W691T634-F687 HydrophobicContact CG2-CD1 3.96Å; T634-F687 HydrophobicContact CG2-CD2 4.14Å; T634-F687 HydrophobicContact CG2-CE1 4.11Å; T634-F687 HydrophobicContact CG2-CE2 4.28Å; T634-F687 HydrophobicContact CG2-CG 3.98Å; T634-F687 HydrophobicContact CG2-CZ 4.26Å; L637-F687 HydrophobicContact CD2-CB 4.23Å; L637-F687 HydrophobicContact CD2-CD1 4.12Å; L637-F687 WeakPolarHBondContact CD2-O 3.19Å; L670-F687 HydrophobicContact CD2-CE2 3.89Å; L670-F687 HydrophobicContact CD2-CZ 4.05Å; P674-F687 HydrophobicContact CB-CE1 4.2Å; P674-F687 HydrophobicContact CB-CZ 4.05Å; W677-F687 HydrophobicContact CZ3-CB 4.09Å; L680-F687 HydrophobicContact CD1-CD2 3.5Å; L680-F687 VanDerWaalsContact CD1-CD2 3.5Å; L680-F687 HydrophobicContact CD1-CE2 3.7Å; L680-F687 HydrophobicContact CD1-CG 4.43Å; L680-F687 HydrophobicContact CD2-CE2 4.42Å; R684-F687 PolarHBondContact O-N 3.5Å; E685-F687 VanDerWaalsContact C-N 3.32Å; E685-F687 PolarHBondContact O-N 3.03Å; F687-R689 PolarHBondContact O-N 3.5Å; F687-M690 HydrophobicContact CD1-SD 3.91Å; F687-M690 HydrophobicContact CE1-SD 4.23Å; F687-M690 WeakPolarHBondContact O-CB 3.06Å; F687-M690 PolarHBondContact O-N 2.82Å; F687-W691 WeakPolarHBondContact O-CB 3.39Å; F687-W691 PolarHBondContact O-N 2.9Å
688R95.6Very high93.1Very high95 Ų9567.5 Ų67.536%0.35833%0.33SS..Hα-helixtrans-61.1-41.7172.1-68.2-170-175.7120.9-6.2112.2I632 W677 R684 E685 W691 K692I632-R688 HydrophobicContact CD1-CG 4.16Å; W677-R688 HydrophobicContact CH2-CG 3.96Å; R684-R688 PolarHBondContact O-N 2.93Å; E685-R688 PolarHBondContact O-N 2.84Å; R688-W691 PolarHBondContact O-N 3.15Å; R688-K692 WeakPolarHBondContact O-CB 3.41Å; R688-K692 PolarHBondContact O-N 2.84Å
689R95.4Very high93.1Very high92 Ų9271.5 Ų71.535%0.34734%0.338SS..Hα-helixtrans-63.9-42.4175.3-67.6175.4-163.9-160.7-4.4112.7L660 E685 F687 W693L660-R689 HydrophobicContact CD2-CB 3.66Å; E685-R689 PolarHBondContact O-N 3.34Å; E685-R689 VanDerWaalsContact O-N 3.09Å; E685-R689 IonicContact OE1-CZ 2.67Å; E685-R689 IonicContact OE1-NE 3.82Å; E685-R689 PolarHBondContact OE1-NE 3.08Å; E685-R689 IonicContact OE1-NH2 3.32Å; E685-R689 PolarHBondContact OE1-NH2 2.84Å; F687-R689 PolarHBondContact O-N 3.5Å; R689-W693 WeakPolarHBondContact O-CB 3.45Å; R689-W693 PolarHBondContact O-N 2.83Å
690M97Very high93.2Very high0 Ų069.8 Ų69.80%033%0.332CS..Hα-helixtrans-57.5-49170.7-70.8176.9-174.900111.7L637 I641 F655 L660 L667 L670 L671 T686 F687 L694L637-M690 HydrophobicContact CD1-CB 4.46Å; L637-M690 HydrophobicContact CD2-CB 4.13Å; L637-M690 HydrophobicContact CG-CB 4.38Å; I641-M690 HydrophobicContact CD1-CB 3.94Å; I641-M690 HydrophobicContact CD1-CG 4.47Å; I641-M690 WeakPolarHBondContact CD1-O 3.36Å; I641-M690 HydrophobicContact CG1-CB 3.99Å; I641-M690 HydrophobicContact CG1-CG 4.34Å; I641-M690 HydrophobicContact CG1-SD 4.47Å; F655-M690 HydrophobicContact CE1-CG 4.18Å; F655-M690 HydrophobicContact CZ-CG 4.33Å; L660-M690 HydrophobicContact CD1-CE 3.63Å; L660-M690 HydrophobicContact CD1-CG 4.27Å; L660-M690 HydrophobicContact CD2-CG 3.92Å; L667-M690 HydrophobicContact CD1-CE 3.54Å; L670-M690 HydrophobicContact CB-CE 4.49Å; L670-M690 HydrophobicContact CD1-CE 4.42Å; L671-M690 HydrophobicContact CD2-CE 4.27Å; L671-M690 HydrophobicContact CD2-SD 4.38Å; T686-M690 HydrophobicContact CG2-CE 4.41Å; T686-M690 WeakPolarHBondContact O-CG 3.37Å; T686-M690 PolarHBondContact O-N 3.25Å; F687-M690 HydrophobicContact CD1-SD 3.91Å; F687-M690 HydrophobicContact CE1-SD 4.23Å; F687-M690 WeakPolarHBondContact O-CB 3.06Å; F687-M690 PolarHBondContact O-N 2.82Å; M690-L694 WeakPolarHBondContact O-CB 3.46Å; M690-L694 PolarHBondContact O-N 2.74Å
691W95.7Very high93.3Very high84 Ų8470 Ų7032%0.31833%0.331SS..Hα-helixtrans-62.3-45.7-179.2-174.796.8000111.7M629 I632 L637 F687 R688 L694 H695M629-W691 HydrophobicContact CG-CH2 4.46Å; M629-W691 HydrophobicContact SD-CE3 4.26Å; M629-W691 HydrophobicContact SD-CH2 3.65Å; M629-W691 HydrophobicContact SD-CZ2 4.5Å; M629-W691 HydrophobicContact SD-CZ3 3.5Å; M629-W691 WeakPolarHBondContact SD-CZ3 3.31Å; I632-W691 HydrophobicContact CD1-CB 3.96Å; I632-W691 HydrophobicContact CD1-CD2 4.5Å; I632-W691 HydrophobicContact CD1-CG 3.93Å; L637-W691 HydrophobicContact CD1-CB 4.32Å; L637-W691 HydrophobicContact CD2-CB 3.83Å; F687-W691 WeakPolarHBondContact O-CB 3.39Å; F687-W691 PolarHBondContact O-N 2.9Å; R688-W691 PolarHBondContact O-N 3.15Å; W691-L694 PolarHBondContact O-N 3.4Å; W691-H695 AromaticContact CD1-CE1 3.8Å; W691-H695 AromaticContact CD2-CE1 3.78Å; W691-H695 AromaticContact CD2-ND1 3.63Å; W691-H695 AromaticContact CE2-CE1 3.32Å; W691-H695 AromaticContact CE2-ND1 3.61Å; W691-H695 AromaticContact CZ2-CE1 3.69Å; W691-H695 AromaticContact CZ2-ND1 3.96Å; W691-H695 AromaticContact NE1-CE1 3.35Å; W691-H695 PolarHBondContact NE1-CE1 2.83Å; W691-H695 VanDerWaalsContact NE1-CE1 3.35Å; W691-H695 AromaticContact NE1-ND1 3.99Å; W691-H695 PolarHBondContact O-N 3.5Å; W691-H695 PolarHBondContact O-ND1 3.1Å
692K94.5Very high93.5Very high126 Ų12663.4 Ų63.455%0.54830%0.304SS..Hα-helixtrans-58.9-55176.9-173.4-166.3177.3-154.30110.9R688 L694 H695 E696R688-K692 WeakPolarHBondContact O-CB 3.41Å; R688-K692 PolarHBondContact O-N 2.84Å; K692-L694 PolarHBondContact O-N 2.9Å; K692-H695 PolarHBondContact O-N 2.84Å; K692-E696 WeakPolarHBondContact CE-OE1 3.43Å; K692-E696 IonicContact NZ-OE1 2.93Å; K692-E696 PolarHBondContact NZ-OE1 2.75Å; K692-E696 PolarHBondContact O-N 3.17Å
693W95.9Very high93.6Very high5 Ų560 Ų602%0.01928%0.281CS..Hα-helixtrans-58.7-33.1179.1179.485.5000112.2I641 E644 L645 I650 F655 I659 R689 H695 E696 R701 L705I641-W693 HydrophobicContact CD1-CE3 4.05Å; I641-W693 HydrophobicContact CD1-CZ3 4.27Å; E644-W693 HydrophobicContact CB-CZ3 4.38Å; E644-W693 HydrophobicContact CG-CH2 4.24Å; E644-W693 HydrophobicContact CG-CZ3 4.18Å; L645-W693 HydrophobicContact CD2-CH2 4.49Å; I650-W693 HydrophobicContact CD1-CH2 4.04Å; I650-W693 HydrophobicContact CD1-CZ2 4.15Å; F655-W693 HydrophobicContact CD2-CD2 4.43Å; F655-W693 AromaticContact CE2-CD2 3.55Å; F655-W693 HydrophobicContact CE2-CD2 3.55Å; F655-W693 AromaticContact CE2-CE2 3.94Å; F655-W693 AromaticContact CE2-CE3 3.57Å; F655-W693 HydrophobicContact CE2-CE3 3.57Å; F655-W693 AromaticContact CE2-CG 3.99Å; F655-W693 HydrophobicContact CE2-CG 3.99Å; F655-W693 HydrophobicContact CE2-CH2 4.35Å; F655-W693 HydrophobicContact CE2-CZ2 4.33Å; F655-W693 AromaticContact CE2-CZ3 3.99Å; F655-W693 HydrophobicContact CE2-CZ3 3.99Å; F655-W693 HydrophobicContact CZ-CD2 4.34Å; F655-W693 HydrophobicContact CZ-CE3 4.07Å; I659-W693 HydrophobicContact CG2-CB 3.85Å; I659-W693 HydrophobicContact CG2-CG 4Å; R689-W693 WeakPolarHBondContact O-CB 3.45Å; R689-W693 PolarHBondContact O-N 2.83Å; W693-H695 VanDerWaalsContact C-N 3.3Å; W693-H695 PolarHBondContact O-N 3.46Å; W693-E696 PolarHBondContact O-N 2.93Å; W693-R701 HydrophobicContact CD2-CG 4.42Å; W693-R701 HydrophobicContact CZ2-CB 3.95Å; W693-R701 PolarHBondContact NE1-O 3.25Å; W693-R701 VanDerWaalsContact NE1-O 3.15Å; W693-R701 WeakPolarHBondContact O-CD 3.44Å; W693-R701 WeakPolarHBondContact O-CG 3.24Å; W693-L705 HydrophobicContact CZ2-CD1 4.22Å
694L95.6Very high93.5Very high25 Ų2560.2 Ų60.213%0.13128%0.279CS..Hα-helixtrans-67-29.5176.4-170.366.8000113.3L637 R640 I641 E644 M690 W691 K692L637-L694 HydrophobicContact CD1-CD2 3.86Å; R640-L694 HydrophobicContact CB-CD2 3.68Å; R640-L694 HydrophobicContact CG-CD2 4.42Å; I641-L694 HydrophobicContact CD1-CB 4.18Å; I641-L694 HydrophobicContact CD1-CD1 4.37Å; E644-L694 HydrophobicContact CB-CD1 4.34Å; E644-L694 HydrophobicContact CG-CD1 4.24Å; M690-L694 WeakPolarHBondContact O-CB 3.46Å; M690-L694 PolarHBondContact O-N 2.74Å; W691-L694 PolarHBondContact O-N 3.4Å; K692-L694 PolarHBondContact O-N 2.9Å
695H93.4Very high93.2Very high108 Ų10858.1 Ų58.150%0.527%0.273SS..Hα-helixtrans-94.6-11179.4-67.184.8000114.1W691 K692 W693W691-H695 AromaticContact CD1-CE1 3.8Å; W691-H695 AromaticContact CD2-CE1 3.78Å; W691-H695 AromaticContact CD2-ND1 3.63Å; W691-H695 AromaticContact CE2-CE1 3.32Å; W691-H695 AromaticContact CE2-ND1 3.61Å; W691-H695 AromaticContact CZ2-CE1 3.69Å; W691-H695 AromaticContact CZ2-ND1 3.96Å; W691-H695 AromaticContact NE1-CE1 3.35Å; W691-H695 PolarHBondContact NE1-CE1 2.83Å; W691-H695 VanDerWaalsContact NE1-CE1 3.35Å; W691-H695 AromaticContact NE1-ND1 3.99Å; W691-H695 PolarHBondContact O-N 3.5Å; W691-H695 PolarHBondContact O-ND1 3.1Å; K692-H695 PolarHBondContact O-N 2.84Å; W693-H695 VanDerWaalsContact C-N 3.3Å; W693-H695 PolarHBondContact O-N 3.46Å
696E92.8Very high92.4Very high31 Ų3162.8 Ų62.815%0.14529%0.287CS..SBendtrans-63.4144.4169.4-75.5172178.900110.1K692 W693 Q700 R701K692-E696 WeakPolarHBondContact CE-OE1 3.43Å; K692-E696 IonicContact NZ-OE1 2.93Å; K692-E696 PolarHBondContact NZ-OE1 2.75Å; K692-E696 PolarHBondContact O-N 3.17Å; W693-E696 PolarHBondContact O-N 2.93Å; E696-Q700 HydrophobicContact CB-CB 4.43Å; E696-Q700 HydrophobicContact CB-CG 4.24Å; E696-Q700 HydrophobicContact CG-CG 4.36Å; E696-R701 HydrophobicContact CB-CG 3.8Å; E696-R701 WeakPolarHBondContact O-CD 3.35Å; E696-R701 WeakPolarHBondContact O-CG 3.38Å
697P92.8Very high90.7Very high59 Ų5967.8 Ų67.838%0.38331%0.313SS..  trans-66.1153.4178.628.2-35.3000111.3F699 Q700 R701P697-F699 VanDerWaalsContact C-N 3.3Å; P697-F699 HydrophobicContact CB-CD1 3.96Å; P697-F699 HydrophobicContact CB-CE1 3.59Å; P697-F699 HydrophobicContact CB-CZ 4.29Å; P697-F699 HydrophobicContact CG-CD1 4.15Å; P697-F699 HydrophobicContact CG-CE1 3.49Å; P697-F699 VanDerWaalsContact CG-CE1 3.49Å; P697-F699 HydrophobicContact CG-CE2 4.44Å; P697-F699 HydrophobicContact CG-CZ 3.66Å; P697-F699 PolarHBondContact O-N 3.19Å; P697-F699 VanDerWaalsContact O-N 3.12Å; P697-Q700 HydrophobicContact CG-CB 3.93Å; P697-Q700 WeakPolarHBondContact O-CA 3.49Å; P697-Q700 WeakPolarHBondContact O-CB 3.2Å; P697-Q700 PolarHBondContact O-N 3.3Å; P697-R701 PolarHBondContact O-N 2.63Å
698E92Very high88.7Confident108 Ų10869.1 Ų69.151%0.50532%0.324SS..Hα-helixtrans-53.1-41.2-168.1-175.1169.9-158.300114.6Y648 Q700 R701 M702Y648-E698 WeakPolarHBondContact CE1-OE1 3.45Å; Y648-E698 VanDerWaalsContact OH-CD 3.22Å; Y648-E698 PolarHBondContact OH-OE1 3.05Å; E698-Q700 VanDerWaalsContact C-N 3.34Å; E698-Q700 PolarHBondContact O-N 3.4Å; E698-R701 PolarHBondContact O-N 3.36Å; E698-M702 WeakPolarHBondContact O-CB 3.46Å; E698-M702 PolarHBondContact O-N 3.05Å
699F91.7Very high86.6Confident156 Ų15670.7 Ų70.768%0.68434%0.335SS*.Hα-helixtrans-62.6-39.2176.869.9-93.2000112.6P697 M702 S703P697-F699 VanDerWaalsContact C-N 3.3Å; P697-F699 HydrophobicContact CB-CD1 3.96Å; P697-F699 HydrophobicContact CB-CE1 3.59Å; P697-F699 HydrophobicContact CB-CZ 4.29Å; P697-F699 HydrophobicContact CG-CD1 4.15Å; P697-F699 HydrophobicContact CG-CE1 3.49Å; P697-F699 VanDerWaalsContact CG-CE1 3.49Å; P697-F699 HydrophobicContact CG-CE2 4.44Å; P697-F699 HydrophobicContact CG-CZ 3.66Å; P697-F699 PolarHBondContact O-N 3.19Å; P697-F699 VanDerWaalsContact O-N 3.12Å; F699-M702 PolarHBondContact O-N 2.67Å; F699-S703 PolarHBondContact O-N 3.18Å
700Q92Very high84.3Confident72 Ų7269.7 Ų69.734%0.33634%0.342SS..Hα-helixtrans-73.5-39.9179-177.7174.2-900111.3E696 P697 E698 M702 S703 A704E696-Q700 HydrophobicContact CB-CB 4.43Å; E696-Q700 HydrophobicContact CB-CG 4.24Å; E696-Q700 HydrophobicContact CG-CG 4.36Å; P697-Q700 HydrophobicContact CG-CB 3.93Å; P697-Q700 WeakPolarHBondContact O-CA 3.49Å; P697-Q700 WeakPolarHBondContact O-CB 3.2Å; P697-Q700 PolarHBondContact O-N 3.3Å; E698-Q700 VanDerWaalsContact C-N 3.34Å; E698-Q700 PolarHBondContact O-N 3.4Å; Q700-M702 PolarHBondContact O-N 3.25Å; Q700-S703 WeakPolarHBondContact CA-OG 3.4Å; Q700-S703 PolarHBondContact O-N 2.88Å; Q700-S703 PolarHBondContact O-OG 2.74Å; Q700-A704 WeakPolarHBondContact O-CB 3.18Å; Q700-A704 PolarHBondContact O-N 2.8Å
701R92.9Very high82.1Confident22 Ų2274 Ų748%0.08337%0.365CS..Hα-helixtrans-58.2-39173-63.7-168-53.8177.69.9111.8E644 Y648 W693 E696 P697 E698 L705E644-R701 IonicContact OE1-CZ 3.98Å; E644-R701 VanDerWaalsContact OE1-CZ 3.23Å; E644-R701 IonicContact OE1-NH1 2.69Å; E644-R701 PolarHBondContact OE1-NH1 3.23Å; E644-R701 IonicContact OE1-NH2 3.93Å; E644-R701 PolarHBondContact OE1-NH2 2.95Å; Y648-R701 PolarHBondContact OH-NH2 3.26Å; W693-R701 HydrophobicContact CD2-CG 4.42Å; W693-R701 HydrophobicContact CZ2-CB 3.95Å; W693-R701 PolarHBondContact NE1-O 3.25Å; W693-R701 VanDerWaalsContact NE1-O 3.15Å; W693-R701 WeakPolarHBondContact O-CD 3.44Å; W693-R701 WeakPolarHBondContact O-CG 3.24Å; E696-R701 HydrophobicContact CB-CG 3.8Å; E696-R701 WeakPolarHBondContact O-CD 3.35Å; E696-R701 WeakPolarHBondContact O-CG 3.38Å; P697-R701 PolarHBondContact O-N 2.63Å; E698-R701 PolarHBondContact O-N 3.36Å; R701-L705 WeakPolarHBondContact O-CG 3.35Å
702M90.5Very high80Confident58 Ų5875.2 Ų75.229%0.28638%0.377SS..Hα-helixtrans-75.4-37.8178.6-162.662.964.300112.3Y648 E698 F699 Q700 L705 R706Y648-M702 HydrophobicContact CD1-CE 4.36Å; E698-M702 WeakPolarHBondContact O-CB 3.46Å; E698-M702 PolarHBondContact O-N 3.05Å; F699-M702 PolarHBondContact O-N 2.67Å; Q700-M702 PolarHBondContact O-N 3.25Å; M702-L705 PolarHBondContact O-N 3.28Å; M702-L705 HydrophobicContact SD-CD1 4.46Å; M702-R706 WeakPolarHBondContact O-CG 3.49Å; M702-R706 PolarHBondContact O-N 3.09Å
703S88.2Confident77.7Confident45 Ų4579.5 Ų79.532%0.31539%0.39SS..Hα-helixtrans-66-40.5175.268.60000111.9F699 Q700 L705 R706 L707F699-S703 PolarHBondContact O-N 3.18Å; Q700-S703 WeakPolarHBondContact CA-OG 3.4Å; Q700-S703 PolarHBondContact O-N 2.88Å; Q700-S703 PolarHBondContact O-OG 2.74Å; S703-L705 PolarHBondContact O-N 3.33Å; S703-R706 PolarHBondContact O-N 3.46Å; S703-R706 VanDerWaalsContact O-N 3.08Å; S703-L707 WeakPolarHBondContact O-CB 3.5Å; S703-L707 VanDerWaalsContact O-CG 3.29Å; S703-L707 WeakPolarHBondContact O-CG 3.33Å; S703-L707 PolarHBondContact O-N 3.02Å
704A87.7Confident75.1Confident31 Ų3187.5 Ų87.526%0.25642%0.422SS..Hα-helixtrans-61.3-23.3176.700000113.9I659 Q700I659-A704 HydrophobicContact CD1-CB 3.71Å; Q700-A704 WeakPolarHBondContact O-CB 3.18Å; Q700-A704 PolarHBondContact O-N 2.8Å
705L88.9Confident72.5Confident14 Ų1490 Ų907%0.07344%0.438CS..Hα-helixtrans-80.7-41.1172.3-65.6168.5000112I650 V654 F655 R658 I659 W693 R701 M702 S703I650-L705 HydrophobicContact CD1-CD1 3.63Å; I650-L705 HydrophobicContact CG1-CD1 3.92Å; I650-L705 HydrophobicContact CG2-CD1 4.08Å; I650-L705 HydrophobicContact CG2-CD2 4.13Å; V654-L705 HydrophobicContact CG1-CD2 4.2Å; F655-L705 HydrophobicContact CD2-CD2 4.41Å; R658-L705 PolarHBondContact NH1-O 3.12Å; I659-L705 HydrophobicContact CD1-CD2 4.27Å; I659-L705 HydrophobicContact CG1-CD2 4.06Å; W693-L705 HydrophobicContact CZ2-CD1 4.22Å; R701-L705 WeakPolarHBondContact O-CG 3.35Å; M702-L705 PolarHBondContact O-N 3.28Å; M702-L705 HydrophobicContact SD-CD1 4.46Å; S703-L705 PolarHBondContact O-N 3.33Å
706R76.2Confident69.7Low172 Ų17287 Ų8765%0.64944%0.436SS*.Hα-helixtrans-74.1-44.3-176.3-69.5178.1-178.4-179.90.1113.9M702 S703 A708 E709M702-R706 WeakPolarHBondContact O-CG 3.49Å; M702-R706 PolarHBondContact O-N 3.09Å; S703-R706 PolarHBondContact O-N 3.46Å; S703-R706 VanDerWaalsContact O-N 3.08Å; R706-A708 PolarHBondContact O-N 3.12Å; R706-E709 PolarHBondContact O-N 3.09Å
707L60Low67.1Low120 Ų12091.5 Ų91.563%0.62847%0.468SS*.THydrogen-bonded Turntrans-57-16.7-166-80.3166000115.8S703 S710S703-L707 WeakPolarHBondContact O-CB 3.5Å; S703-L707 VanDerWaalsContact O-CG 3.29Å; S703-L707 WeakPolarHBondContact O-CG 3.33Å; S703-L707 PolarHBondContact O-N 3.02Å; L707-S710 PolarHBondContact O-OG 2.87Å
708A53.1Low64.6Low28 Ų2893.9 Ų93.923%0.23148%0.482CS..Hα-helixtrans-105.614.9-179.800000114.2R658 R706R658-A708 HydrophobicContact CG-CB 4.46Å; R658-A708 VanDerWaalsContact CZ-C 3.41Å; R658-A708 VanDerWaalsContact NH1-C 3.28Å; R658-A708 PolarHBondContact NH2-O 3.27Å; R658-A708 VanDerWaalsContact NH2-O 3.1Å; R706-A708 PolarHBondContact O-N 3.12Å
709E51.7Low61.9Low129 Ų12994.6 Ų94.660%0.60349%0.493SS*.Hα-helixtrans-77.9-25.2166.9-74.1-166.9125.700113.5R706R706-E709 PolarHBondContact O-N 3.09Å
710S48.5Very low59.3Low71 Ų7191 Ų9150%0.49749%0.486SS..Hα-helixtrans-72.3-56.7168.145.10000111.1L707 L712 R713L707-S710 PolarHBondContact O-OG 2.87Å; S710-L712 VanDerWaalsContact C-N 3.3Å; S710-L712 PolarHBondContact O-N 3.44Å; S710-R713 PolarHBondContact O-N 3.43Å; S710-R713 VanDerWaalsContact O-N 3.08Å
711D49.9Very low56.5Low89 Ų8994.4 Ų94.448%0.47650%0.5SS..Hα-helixtrans-69-31.1-161.7-62.68.5000112.1R713 Y714 T715D711-R713 PolarHBondContact O-N 3.27Å; D711-R713 VanDerWaalsContact O-N 3.09Å; D711-Y714 PolarHBondContact O-N 2.91Å; D711-T715 WeakPolarHBondContact O-CA 3.45Å; D711-T715 WeakPolarHBondContact O-CB 3.36Å; D711-T715 PolarHBondContact O-N 3.16Å; D711-T715 PolarHBondContact O-OG1 3.17Å
712L51.9Low53.8Low110 Ų110104.1 Ų104.158%0.57654%0.537SS*.Hα-helixtrans-70.4-1.5178.4-148.676.9000114.1S710S710-L712 VanDerWaalsContact C-N 3.3Å; S710-L712 PolarHBondContact O-N 3.44Å
713R45.3Very low51.1Low217 Ų217110.6 Ų110.682%0.81956%0.563SS**Hα-helixtrans-106.6-20.6175.1-59.4-173.3-173.4-126.34113.9S710 D711S710-R713 PolarHBondContact O-N 3.43Å; S710-R713 VanDerWaalsContact O-N 3.08Å; D711-R713 PolarHBondContact O-N 3.27Å; D711-R713 VanDerWaalsContact O-N 3.09Å
714Y41.9Very low48.5Very low173 Ų173117.8 Ų117.868%0.67859%0.592SS**Hα-helixtrans-122.4-15-177.9-116.9-86.3000114L243 D711L243-Y714 WeakPolarHBondContact CD1-OH 3.41Å; D711-Y714 PolarHBondContact O-N 2.91Å
715T41.2Very low46Very low76 Ų76120.4 Ų120.447%0.46661%0.608SS.*SBendtrans-101.7130.6159.868.50000108.8D711D711-T715 WeakPolarHBondContact O-CA 3.45Å; D711-T715 WeakPolarHBondContact O-CB 3.36Å; D711-T715 PolarHBondContact O-N 3.16Å; D711-T715 PolarHBondContact O-OG1 3.17Å
716G33.6Very low43.3Very low46 Ų46128.8 Ų128.847%0.47465%0.647SS.*  trans-62.4-178.6158.800000110.7V718G716-V718 PolarHBondContact O-N 3.24Å
717P38.8Very low41.6Very low126 Ų126127.7 Ų127.782%0.81865%0.649SS**SBendtrans-71.359.2-171.429.2-36.4000115.3V719P717-V719 PolarHBondContact O-N 2.99Å
718V40.1Very low40.8Very low109 Ų109130.4 Ų130.466%0.66166%0.662SS**  trans-91.869.5-177.7-1700000110.8G716G716-V718 PolarHBondContact O-N 3.24Å
719V36.8Very low40.2Very low123 Ų123136.9 Ų136.975%0.74569%0.685SS**SBendtrans-165.864.5131.7-174.20000107.6P717P717-V719 PolarHBondContact O-N 2.99Å
720C36.8Very low39.8Very low79 Ų79138.3 Ų138.353%0.53470%0.696SS.*  trans-166.270.1157.4-100.40000108.1R722C720-R722 PolarHBondContact O-N 3.23Å
721K31.9Very low39.2Very low144 Ų144139.9 Ų139.963%0.62671%0.713SS**  trans-59.899.8177-69.9-173.2179.2-178.10109.8E1189K721-E1189 IonicContact NZ-OE1 3.29Å; K721-E1189 PolarHBondContact NZ-OE1 3.47Å; K721-E1189 IonicContact NZ-OE2 2.79Å; K721-E1189 PolarHBondContact NZ-OE2 3.15Å
722R36.9Very low38.6Very low227 Ų227143.8 Ų143.886%0.85773%0.729SS**  trans-81.5138155.2-92.8178.7-76136.41.6106.9C720 E724C720-R722 PolarHBondContact O-N 3.23Å; R722-E724 PolarHBondContact O-N 2.99Å
723K34.7Very low38.1Very low194 Ų194142 Ų14284%0.84373%0.726SS**  trans-6496.1172.2179.7176.3177.3175.50108.6S725K723-S725 PolarHBondContact O-N 3.29Å
724E33.1Very low38.4Very low196 Ų196142.7 Ų142.792%0.91673%0.728SS**  trans-93.380.6167.2-172.6155.7-140.400106.9R722 E726R722-E724 PolarHBondContact O-N 2.99Å; E724-E726 PolarHBondContact O-N 3.31Å
725S35.8Very low39.2Very low86 Ų86141.2 Ų141.260%0.60173%0.727SS**  trans-74.1118.5176.742.10000109.8K723K723-S725 PolarHBondContact O-N 3.29Å
726E31.1Very low40.3Very low189 Ų189142.8 Ų142.888%0.88374%0.739SS**SBendtrans14.895.3169.3-56.6-160.7156.400117.7E724E724-E726 PolarHBondContact O-N 3.31Å
727H41.3Very low42.3Very low149 Ų149150.3 Ų150.369%0.6976%0.759SS**  trans-144.852.3156.5-150.8-94.4000113.8K729H727-K729 PolarHBondContact O-N 3.47Å
728I41.9Very low44.4Very low177 Ų177153.8 Ų153.891%0.90876%0.761SS**  trans-80.466.3166.3-49.6-178.7000109.1
729K41.1Very low46.7Very low164 Ų164154.6 Ų154.671%0.71377%0.768SS**  trans-86.1155.8153.8-107.5176.2177.7175.40108.2H727H727-K729 PolarHBondContact O-N 3.47Å
730L42.3Very low49.2Very low160 Ų160159.8 Ų159.884%0.83878%0.775SS**  trans-63.1150.7-161.3-78.367.3000113.2E732L730-E732 PolarHBondContact O-N 2.93Å; L730-E732 VanDerWaalsContact O-N 3.09Å
731A37.7Very low51.9Low104 Ų104160.6 Ų160.686%0.8677%0.773SS**  trans-74.996.3177.400000111.1
732E37Very low54.9Low171 Ų171159 Ų15980%0.79978%0.775SS**  trans-143.9146.7153.4-162.555.5-90.500108.8L730L730-E732 PolarHBondContact O-N 2.93Å; L730-E732 VanDerWaalsContact O-N 3.09Å
733S40.4Very low57.8Low73 Ų73150.3 Ų150.351%0.5174%0.744SS.*  trans62.197.2-167.779.30000115.3Q735S733-Q735 PolarHBondContact O-N 3.41Å; S733-Q735 PolarHBondContact OG-NE2 3.06Å
734R52.5Low60.7Low231 Ų231144.4 Ų144.487%0.87272%0.724SS**  trans-71.375.9156.4-73.3-176.3-178.9165.25.2108.8
735Q59.1Low63.8Low141 Ų141140 Ų14066%0.65971%0.706SS**  trans-45122.9-176.9-73.2-66.2-24.500111.3S733 K737S733-Q735 PolarHBondContact O-N 3.41Å; S733-Q735 PolarHBondContact OG-NE2 3.06Å; Q735-K737 PolarHBondContact O-N 3.33Å
736P64.2Low66.7Low109 Ų109140.6 Ų140.671%0.70870%0.702SS**  trans-61.5124.5-174.824-32.7000109.4K738P736-K738 PolarHBondContact O-N 2.84Å
737K75.5Confident69.8Low205 Ų205132.9 Ų132.989%0.89167%0.666SS**  trans-54.5110.8-174.4-69.8173.3-178.5167.50109.5Q735Q735-K737 PolarHBondContact O-N 3.33Å
738K81.7Confident72.5Confident199 Ų199130 Ų13087%0.86565%0.649SS**  trans-41.1120.5-174-67-173.3177.8-175.50110P736 R740P736-K738 PolarHBondContact O-N 2.84Å; K738-R740 PolarHBondContact O-N 3Å
739P88.9Confident75.2Confident126 Ų126129 Ų12982%0.81863%0.634SS**PPolyproline II helixtrans-59.7136.3-170.422.9-33.2000110.2L741P739-L741 PolarHBondContact O-N 3.33Å
740R90Very high77.8Confident232 Ų232123.5 Ų123.588%0.87561%0.614SS**PPolyproline II helixtrans-67.3121.6-173.9-168.5-177.6-156.3163.79.9109.8K738 V742K738-R740 PolarHBondContact O-N 3Å; R740-V742 PolarHBondContact O-N 3.29Å
741L93.4Very high80.5Confident96 Ų96115.9 Ų115.950%0.50357%0.574SS.*PPolyproline II helixtrans-52.8124.6175.2-172.6154.5000110.6P739 F743 L775 T779P739-L741 PolarHBondContact O-N 3.33Å; L741-F743 HydrophobicContact CD2-CD1 3.97Å; L741-F743 HydrophobicContact CD2-CE1 3.93Å; L741-F743 HydrophobicContact CD2-CG 4.46Å; L741-F743 HydrophobicContact CD2-CZ 4.38Å; L741-L775 HydrophobicContact CD1-CD2 4.33Å; L741-L775 HydrophobicContact CD2-CD2 4.41Å; L741-T779 HydrophobicContact CD1-CG2 4.16Å; L741-T779 HydrophobicContact CD2-CG2 4.14Å
742V94.8Very high83.3Confident111 Ų111115.6 Ų115.667%0.67356%0.555SS**  trans-114.4122.6172.9-179.80000107.7R740 T744R740-V742 PolarHBondContact O-N 3.29Å; V742-T744 PolarHBondContact O-N 3.31Å
743F96.5Very high86.2Confident44 Ų44109.6 Ų109.619%0.19353%0.534CS..  trans-61.6129.9174.5-62.8-65.5000111.1L741 Q747 R748 L751 L775 T779 F783L741-F743 HydrophobicContact CD2-CD1 3.97Å; L741-F743 HydrophobicContact CD2-CE1 3.93Å; L741-F743 HydrophobicContact CD2-CG 4.46Å; L741-F743 HydrophobicContact CD2-CZ 4.38Å; F743-Q747 HydrophobicContact CB-CB 4.33Å; F743-Q747 HydrophobicContact CD1-CB 4.38Å; F743-R748 HydrophobicContact CB-CB 4.32Å; F743-R748 PolarHBondContact O-NH2 3.02Å; F743-L751 HydrophobicContact CD1-CD1 4Å; F743-L751 HydrophobicContact CE1-CD1 3.85Å; F743-L751 HydrophobicContact CZ-CD1 4.34Å; F743-L775 HydrophobicContact CD1-CD1 4.06Å; F743-L775 HydrophobicContact CD1-CD2 4.23Å; F743-L775 HydrophobicContact CE1-CD1 3.86Å; F743-L775 HydrophobicContact CE1-CD2 4.16Å; F743-T779 HydrophobicContact CE1-CG2 3.63Å; F743-T779 HydrophobicContact CZ-CG2 3.81Å; F743-F783 HydrophobicContact CE2-CD2 4.01Å; F743-F783 HydrophobicContact CZ-CB 4.15Å; F743-F783 HydrophobicContact CZ-CD2 4.26Å
744T97.2Very high88.9Confident69 Ų69107 Ų10742%0.42352%0.515SS..  trans-63.7158.9168.6690000110.2V742 I746 Q747 R748V742-T744 PolarHBondContact O-N 3.31Å; T744-I746 PolarHBondContact O-N 2.94Å; T744-I746 VanDerWaalsContact OG1-CG2 3.3Å; T744-I746 WeakPolarHBondContact OG1-CG2 3.23Å; T744-Q747 PolarHBondContact O-N 2.86Å; T744-Q747 VanDerWaalsContact O-N 3.17Å; T744-Q747 VanDerWaalsContact OG1-CG 3.25Å; T744-Q747 WeakPolarHBondContact OG1-CG 3.27Å; T744-Q747 PolarHBondContact OG1-N 3.13Å; T744-Q747 PolarHBondContact OG1-OE1 3.48Å; T744-R748 VanDerWaalsContact O-CB 3.31Å; T744-R748 WeakPolarHBondContact O-CB 3.4Å; T744-R748 PolarHBondContact O-N 3.23Å
745D97.1Very high91Very high103 Ų10397.6 Ų97.655%0.55148%0.48SS*.Hα-helixtrans-72.7-13.1-175.9-64.3-47.2000114.1R748 R749D745-R748 IonicContact OD1-CZ 3.61Å; D745-R748 IonicContact OD1-NE 3.49Å; D745-R748 PolarHBondContact OD1-NE 3.47Å; D745-R749 WeakPolarHBondContact O-CB 3.46Å; D745-R749 VanDerWaalsContact O-CG 3.29Å; D745-R749 WeakPolarHBondContact O-CG 3.5Å; D745-R749 PolarHBondContact O-N 3.24Å; D745-R749 PolarHBondContact O-NE 3.29Å
746I96.4Very high92.7Very high100 Ų10098.8 Ų98.851%0.51348%0.483SS..Hα-helixtrans-76.2-52.3164.6-175.859.7000110.7T744 R748 R749 T750T744-I746 PolarHBondContact O-N 2.94Å; T744-I746 VanDerWaalsContact OG1-CG2 3.3Å; T744-I746 WeakPolarHBondContact OG1-CG2 3.23Å; I746-R748 VanDerWaalsContact C-N 3.3Å; I746-R748 PolarHBondContact O-N 3.05Å; I746-R749 PolarHBondContact O-N 3.09Å; I746-T750 PolarHBondContact O-N 3.09Å; I746-T750 PolarHBondContact O-OG1 3.48Å; I746-T750 VanDerWaalsContact O-OG1 3.13Å
747Q97.9Very high94.2Very high26 Ų26100.7 Ų100.712%0.12148%0.482CS..Hα-helixtrans-54-47.1176.4-70.4169.6-18.500111.7F743 T744 R749 T750 L751 L773 L775F743-Q747 HydrophobicContact CB-CB 4.33Å; F743-Q747 HydrophobicContact CD1-CB 4.38Å; T744-Q747 PolarHBondContact O-N 2.86Å; T744-Q747 VanDerWaalsContact O-N 3.17Å; T744-Q747 VanDerWaalsContact OG1-CG 3.25Å; T744-Q747 WeakPolarHBondContact OG1-CG 3.27Å; T744-Q747 PolarHBondContact OG1-N 3.13Å; T744-Q747 PolarHBondContact OG1-OE1 3.48Å; Q747-R749 PolarHBondContact O-N 2.84Å; Q747-T750 PolarHBondContact O-N 3.31Å; Q747-L751 VanDerWaalsContact O-CB 3.27Å; Q747-L751 WeakPolarHBondContact O-CB 3.37Å; Q747-L751 WeakPolarHBondContact O-CD1 3.26Å; Q747-L751 WeakPolarHBondContact O-CG 3.43Å; Q747-L751 PolarHBondContact O-N 3.08Å; Q747-L773 HydrophobicContact CG-CB 4.23Å; Q747-L773 HydrophobicContact CG-CD2 4.4Å; Q747-L773 PolarHBondContact NE2-O 2.83Å; Q747-L775 HydrophobicContact CB-CD1 4.41Å; Q747-L775 HydrophobicContact CG-CD1 4.24Å; Q747-L775 HydrophobicContact CG-CG 4.48Å
748R97.2Very high95.1Very high89 Ų8992.6 Ų92.634%0.33645%0.45SS..Hα-helixtrans-57.9-48.3178.5-174.9-169.3-53.6-75.7-13.1112F743 T744 D745 I746 Q752F743-R748 HydrophobicContact CB-CB 4.32Å; F743-R748 PolarHBondContact O-NH2 3.02Å; T744-R748 VanDerWaalsContact O-CB 3.31Å; T744-R748 WeakPolarHBondContact O-CB 3.4Å; T744-R748 PolarHBondContact O-N 3.23Å; D745-R748 IonicContact OD1-CZ 3.61Å; D745-R748 IonicContact OD1-NE 3.49Å; D745-R748 PolarHBondContact OD1-NE 3.47Å; I746-R748 VanDerWaalsContact C-N 3.3Å; I746-R748 PolarHBondContact O-N 3.05Å; R748-Q752 VanDerWaalsContact O-CB 3.31Å; R748-Q752 WeakPolarHBondContact O-CB 3.34Å; R748-Q752 WeakPolarHBondContact O-CG 3.34Å; R748-Q752 PolarHBondContact O-N 3.02Å
749R97.4Very high95.7Very high157 Ų15787.9 Ų87.959%0.59243%0.43SS*.Hα-helixtrans-69.4-43.7-178.6-77.4-178.5-67.5159.7-0.1111.8D745 I746 Q747 Q752 A753D745-R749 WeakPolarHBondContact O-CB 3.46Å; D745-R749 VanDerWaalsContact O-CG 3.29Å; D745-R749 WeakPolarHBondContact O-CG 3.5Å; D745-R749 PolarHBondContact O-N 3.24Å; D745-R749 PolarHBondContact O-NE 3.29Å; I746-R749 PolarHBondContact O-N 3.09Å; Q747-R749 PolarHBondContact O-N 2.84Å; R749-Q752 PolarHBondContact O-N 3.22Å; R749-A753 WeakPolarHBondContact O-CB 3.43Å; R749-A753 PolarHBondContact O-N 3.27Å
750T97.5Very high96.1Very high47 Ų4791 Ų9129%0.28843%0.426SS..Hα-helixtrans-62.9-47.4177.5-54.60000111.4I746 Q747 Q752 A753 I754 L773I746-T750 PolarHBondContact O-N 3.09Å; I746-T750 PolarHBondContact O-OG1 3.48Å; I746-T750 VanDerWaalsContact O-OG1 3.13Å; Q747-T750 PolarHBondContact O-N 3.31Å; T750-Q752 VanDerWaalsContact C-N 3.28Å; T750-Q752 PolarHBondContact O-N 3.33Å; T750-A753 PolarHBondContact O-N 3.15Å; T750-I754 HydrophobicContact CG2-CD1 3.83Å; T750-I754 WeakPolarHBondContact O-CD1 3.38Å; T750-I754 WeakPolarHBondContact O-CG1 3.23Å; T750-I754 PolarHBondContact O-N 3.14Å; T750-L773 HydrophobicContact CG2-CD1 4.33Å; T750-L773 HydrophobicContact CG2-CD2 4.01Å
751L98Very high96.4Very high0 Ų080.4 Ų80.40%039%0.386CS..Hα-helixtrans-61-35175.1-72.1169.3000112.6F743 Q747 F755 I769 L773 L775 V780 F783 F784F743-L751 HydrophobicContact CD1-CD1 4Å; F743-L751 HydrophobicContact CE1-CD1 3.85Å; F743-L751 HydrophobicContact CZ-CD1 4.34Å; Q747-L751 VanDerWaalsContact O-CB 3.27Å; Q747-L751 WeakPolarHBondContact O-CB 3.37Å; Q747-L751 WeakPolarHBondContact O-CD1 3.26Å; Q747-L751 WeakPolarHBondContact O-CG 3.43Å; Q747-L751 PolarHBondContact O-N 3.08Å; L751-F755 VanDerWaalsContact O-CB 3.29Å; L751-F755 WeakPolarHBondContact O-CB 3.38Å; L751-F755 PolarHBondContact O-N 2.9Å; L751-I769 HydrophobicContact CD2-CG2 3.65Å; L751-L773 HydrophobicContact CD1-CD1 4.28Å; L751-L773 HydrophobicContact CD2-CD1 3.86Å; L751-L773 HydrophobicContact CG-CD1 3.66Å; L751-L775 HydrophobicContact CD1-CD1 3.99Å; L751-V780 HydrophobicContact CD2-CG1 4.17Å; L751-V780 HydrophobicContact CD2-CG2 4.48Å; L751-F783 HydrophobicContact CB-CD1 3.86Å; L751-F783 HydrophobicContact CB-CD2 4.13Å; L751-F783 HydrophobicContact CB-CE1 3.62Å; L751-F783 HydrophobicContact CB-CE2 3.88Å; L751-F783 HydrophobicContact CB-CG 4.13Å; L751-F783 HydrophobicContact CB-CZ 3.63Å; L751-F783 HydrophobicContact CD1-CB 4.31Å; L751-F783 HydrophobicContact CD1-CD1 4.43Å; L751-F783 HydrophobicContact CD1-CD2 3.92Å; L751-F783 HydrophobicContact CD1-CE2 4.39Å; L751-F783 HydrophobicContact CD1-CG 3.95Å; L751-F783 HydrophobicContact CD2-CD1 4.16Å; L751-F783 HydrophobicContact CD2-CG 4.37Å; L751-F783 HydrophobicContact CG-CD1 4.38Å; L751-F783 HydrophobicContact CG-CG 4.39Å; L751-F783 WeakPolarHBondContact O-CE1 3.33Å; L751-F784 HydrophobicContact CD2-CE2 3.94Å
752Q96.7Very high96.6Very high99 Ų9978.8 Ų78.846%0.46338%0.383SS..Hα-helixtrans-72.1-36.2174.5-78.1174.4-19.200113.4R748 R749 T750 F755 K756 F783R748-Q752 VanDerWaalsContact O-CB 3.31Å; R748-Q752 WeakPolarHBondContact O-CB 3.34Å; R748-Q752 WeakPolarHBondContact O-CG 3.34Å; R748-Q752 PolarHBondContact O-N 3.02Å; R749-Q752 PolarHBondContact O-N 3.22Å; T750-Q752 VanDerWaalsContact C-N 3.28Å; T750-Q752 PolarHBondContact O-N 3.33Å; Q752-F755 PolarHBondContact O-N 3.01Å; Q752-K756 PolarHBondContact O-N 2.86Å; Q752-K756 VanDerWaalsContact O-N 3.16Å; Q752-F783 HydrophobicContact CG-CZ 4.15Å
753A96.8Very high96.7Very high44 Ų4482.3 Ų82.336%0.36439%0.389SS..Hα-helixtrans-64.7-51.2175.100000110.7R749 T750 F755 K756 E757R749-A753 WeakPolarHBondContact O-CB 3.43Å; R749-A753 PolarHBondContact O-N 3.27Å; T750-A753 PolarHBondContact O-N 3.15Å; A753-F755 PolarHBondContact O-N 3.11Å; A753-K756 WeakPolarHBondContact O-CA 3.31Å; A753-K756 VanDerWaalsContact O-CB 3.28Å; A753-K756 WeakPolarHBondContact O-CB 3.16Å; A753-K756 PolarHBondContact O-N 3.2Å; A753-E757 PolarHBondContact O-N 3.33Å
754I97.1Very high96.7Very high20 Ų2087.5 Ų87.510%0.10341%0.414CS..Hα-helixtrans-61.1-34.7176.2-57.9155.9000110.9T750 K756 E757 T758 M765 I769 F784T750-I754 HydrophobicContact CG2-CD1 3.83Å; T750-I754 WeakPolarHBondContact O-CD1 3.38Å; T750-I754 WeakPolarHBondContact O-CG1 3.23Å; T750-I754 PolarHBondContact O-N 3.14Å; I754-K756 PolarHBondContact O-N 2.8Å; I754-E757 PolarHBondContact O-N 3.29Å; I754-T758 HydrophobicContact CG2-CG2 3.82Å; I754-T758 PolarHBondContact O-N 3.28Å; I754-T758 VanDerWaalsContact O-O 3.12Å; I754-M765 HydrophobicContact CG2-CE 3.95Å; I754-I769 HydrophobicContact CD1-CD1 3.92Å; I754-I769 HydrophobicContact CD1-CG1 3.84Å; I754-I769 HydrophobicContact CD1-CG2 4.1Å; I754-I769 HydrophobicContact CG2-CD1 3.87Å; I754-F784 HydrophobicContact CB-CZ 4.1Å; I754-F784 HydrophobicContact CG2-CE1 4.22Å; I754-F784 HydrophobicContact CG2-CZ 3.72Å
755F96.9Very high96.7Very high33 Ų3387.6 Ų87.615%0.14541%0.411CS..Hα-helixtrans-71-13.9173.4-173.7-106.4000114.3L751 Q752 A753 K759 F783 F784 A787 R788L751-F755 VanDerWaalsContact O-CB 3.29Å; L751-F755 WeakPolarHBondContact O-CB 3.38Å; L751-F755 PolarHBondContact O-N 2.9Å; Q752-F755 PolarHBondContact O-N 3.01Å; A753-F755 PolarHBondContact O-N 3.11Å; F755-K759 HydrophobicContact CD2-CD 4.35Å; F755-K759 HydrophobicContact CE1-CD 4.41Å; F755-K759 HydrophobicContact CE2-CB 4.16Å; F755-K759 HydrophobicContact CE2-CD 3.94Å; F755-K759 HydrophobicContact CZ-CD 3.98Å; F755-K759 WeakPolarHBondContact O-CD 3.2Å; F755-K759 PolarHBondContact O-NZ 2.96Å; F755-F783 HydrophobicContact CB-CE1 4.18Å; F755-F784 HydrophobicContact CB-CE1 3.98Å; F755-F784 AromaticContact CD2-CD1 3.81Å; F755-F784 HydrophobicContact CD2-CD1 3.81Å; F755-F784 HydrophobicContact CD2-CE1 4.05Å; F755-A787 HydrophobicContact CD1-CB 3.89Å; F755-A787 HydrophobicContact CD2-CB 3.74Å; F755-A787 HydrophobicContact CE1-CB 3.78Å; F755-A787 HydrophobicContact CE2-CB 3.62Å; F755-A787 HydrophobicContact CG-CB 3.87Å; F755-A787 HydrophobicContact CZ-CB 3.64Å; F755-R788 HydrophobicContact CE2-CG 3.87Å; F755-R788 HydrophobicContact CZ-CG 4.38Å
756K95.1Very high96.7Very high165 Ų16584.1 Ų84.172%0.71739%0.391SS*.Hα-helixtrans-74-51.7165.9-69.7179.2176.8-173.80110Q752 A753 I754 K759Q752-K756 PolarHBondContact O-N 2.86Å; Q752-K756 VanDerWaalsContact O-N 3.16Å; A753-K756 WeakPolarHBondContact O-CA 3.31Å; A753-K756 VanDerWaalsContact O-CB 3.28Å; A753-K756 WeakPolarHBondContact O-CB 3.16Å; A753-K756 PolarHBondContact O-N 3.2Å; I754-K756 PolarHBondContact O-N 2.8Å; K756-K759 PolarHBondContact O-NZ 3.45Å
757E95.5Very high96.8Very high149 Ų14982 Ų8270%0.69639%0.385SS*.Hα-helixtrans-63.2-56.1-179.1-65.8154.5-163.100112.6A753 I754A753-E757 PolarHBondContact O-N 3.33Å; I754-E757 PolarHBondContact O-N 3.29Å
758T94.7Very high96.8Very high36 Ų3684.5 Ų84.522%0.22140%0.403CS..  trans-127.8122178.5177.80000112.9I754 R760 P761 M765I754-T758 HydrophobicContact CG2-CG2 3.82Å; I754-T758 PolarHBondContact O-N 3.28Å; I754-T758 VanDerWaalsContact O-O 3.12Å; T758-R760 PolarHBondContact O-N 3.26Å; T758-R760 VanDerWaalsContact OG1-C 3.31Å; T758-R760 PolarHBondContact OG1-N 2.83Å; T758-P761 HydrophobicContact CG2-CB 4.05Å; T758-M765 HydrophobicContact CG2-CE 3.89Å; T758-M765 HydrophobicContact CG2-SD 3.93Å
759K95.5Very high96.8Very high99 Ų9980.9 Ų80.943%0.4339%0.39SS..SBendtrans-74.4-18.4173.3-45.7-56166.1-164.60112F755 K756 R788F755-K759 HydrophobicContact CD2-CD 4.35Å; F755-K759 HydrophobicContact CE1-CD 4.41Å; F755-K759 HydrophobicContact CE2-CB 4.16Å; F755-K759 HydrophobicContact CE2-CD 3.94Å; F755-K759 HydrophobicContact CZ-CD 3.98Å; F755-K759 WeakPolarHBondContact O-CD 3.2Å; F755-K759 PolarHBondContact O-NZ 2.96Å; K756-K759 PolarHBondContact O-NZ 3.45Å; K759-R788 VanDerWaalsContact O-CD 3.23Å; K759-R788 WeakPolarHBondContact O-CD 3.49Å; K759-R788 WeakPolarHBondContact O-CG 3.27Å; K759-R788 PolarHBondContact O-NH1 3.32Å
760R96.4Very high96.8Very high193 Ų19373.6 Ų73.673%0.72836%0.363SS*.SBendtrans-143.366.3-169.5-59.6-175.178.2119.7-0.7111T758T758-R760 PolarHBondContact O-N 3.26Å; T758-R760 VanDerWaalsContact OG1-C 3.31Å; T758-R760 PolarHBondContact OG1-N 2.83Å
761P96.7Very high96.8Very high8 Ų879.2 Ų79.25%0.05239%0.386CS..  trans-57.9149.1174.126.4-36.5000111.6T758 M765 Q766 I769 F784T758-P761 HydrophobicContact CG2-CB 4.05Å; P761-M765 HydrophobicContact CB-CB 4.13Å; P761-M765 HydrophobicContact CB-CG 4.04Å; P761-M765 HydrophobicContact CB-SD 3.56Å; P761-M765 VanDerWaalsContact CB-SD 3.56Å; P761-Q766 HydrophobicContact CB-CG 4.05Å; P761-Q766 HydrophobicContact CG-CG 3.72Å; P761-Q766 PolarHBondContact O-NE2 3.49Å; P761-I769 HydrophobicContact CB-CD1 4.45Å; P761-F784 VanDerWaalsContact CD-CD1 3.49Å; P761-F784 HydrophobicContact CG-CD1 3.67Å; P761-F784 HydrophobicContact CG-CD2 3.83Å; P761-F784 HydrophobicContact CG-CE1 3.71Å; P761-F784 HydrophobicContact CG-CE2 3.88Å; P761-F784 HydrophobicContact CG-CG 3.75Å; P761-F784 HydrophobicContact CG-CZ 3.84Å
762S97.1Very high96.7Very high63 Ų6386.9 Ų86.944%0.44142%0.422SS..  trans-65.2169.2177.168.80000112.3E764 M765 Q766S762-E764 VanDerWaalsContact C-N 3.3Å; S762-E764 PolarHBondContact O-N 3.03Å; S762-M765 PolarHBondContact O-N 3.37Å; S762-M765 VanDerWaalsContact OG-CB 3.31Å; S762-M765 WeakPolarHBondContact OG-CB 3.26Å; S762-M765 PolarHBondContact OG-N 3.03Å; S762-Q766 WeakPolarHBondContact O-CB 3.37Å; S762-Q766 VanDerWaalsContact O-CG 3.23Å; S762-Q766 WeakPolarHBondContact O-CG 3.26Å; S762-Q766 PolarHBondContact O-N 3.08Å; S762-Q766 PolarHBondContact O-NE2 2.76Å; S762-Q766 VanDerWaalsContact O-NE2 3.15Å
763K96.5Very high96.7Very high184 Ų18483.3 Ų83.380%0.841%0.406SS*.Hα-helixtrans-60.7-42.5175-174.5-175.4176.4-171.30110.8Q766 S767K763-Q766 PolarHBondContact O-N 2.89Å; K763-S767 PolarHBondContact O-N 2.92Å; K763-S767 VanDerWaalsContact O-N 3.08Å
764E97.2Very high96.7Very high153 Ų15384.3 Ų84.372%0.71542%0.421SS*.Hα-helixtrans-60.2-54.4174.1-179.1-175-162.900111.8S762 Q766 S767 T768S762-E764 VanDerWaalsContact C-N 3.3Å; S762-E764 PolarHBondContact O-N 3.03Å; E764-Q766 VanDerWaalsContact C-N 3.26Å; E764-Q766 PolarHBondContact O-N 3.5Å; E764-S767 CarbonylContact O-C 3.22Å; E764-S767 VanDerWaalsContact O-CA 3.29Å; E764-S767 WeakPolarHBondContact O-CA 3.14Å; E764-S767 WeakPolarHBondContact O-CB 3.33Å; E764-S767 PolarHBondContact O-N 2.74Å; E764-T768 PolarHBondContact O-N 3.43Å; E764-T768 PolarHBondContact O-OG1 3.31Å
765M97.1Very high96.7Very high71 Ų7184.4 Ų84.435%0.3542%0.421SS..Hα-helixtrans-59.9-37.8179.5-171.2-173.4-171.300111.6I754 T758 P761 S762 S767 T768 I769I754-M765 HydrophobicContact CG2-CE 3.95Å; T758-M765 HydrophobicContact CG2-CE 3.89Å; T758-M765 HydrophobicContact CG2-SD 3.93Å; P761-M765 HydrophobicContact CB-CB 4.13Å; P761-M765 HydrophobicContact CB-CG 4.04Å; P761-M765 HydrophobicContact CB-SD 3.56Å; P761-M765 VanDerWaalsContact CB-SD 3.56Å; S762-M765 PolarHBondContact O-N 3.37Å; S762-M765 VanDerWaalsContact OG-CB 3.31Å; S762-M765 WeakPolarHBondContact OG-CB 3.26Å; S762-M765 PolarHBondContact OG-N 3.03Å; M765-S767 VanDerWaalsContact C-N 3.26Å; M765-S767 PolarHBondContact O-N 3.17Å; M765-T768 PolarHBondContact O-N 2.75Å; M765-I769 HydrophobicContact CE-CD1 4.39Å; M765-I769 HydrophobicContact CG-CD1 3.87Å; M765-I769 HydrophobicContact CG-CG1 4.45Å; M765-I769 WeakPolarHBondContact O-CB 3.45Å; M765-I769 VanDerWaalsContact O-CD1 3.29Å; M765-I769 WeakPolarHBondContact O-CD1 3.3Å; M765-I769 WeakPolarHBondContact O-CG1 3.19Å; M765-I769 PolarHBondContact O-N 3Å
766Q97.6Very high96.7Very high30 Ų3089.1 Ų89.114%0.1444%0.444CS..Hα-helixtrans-62.9-31.8172.2-73.517173.600112.7P761 S762 K763 E764 A770 V777 V780P761-Q766 HydrophobicContact CB-CG 4.05Å; P761-Q766 HydrophobicContact CG-CG 3.72Å; P761-Q766 PolarHBondContact O-NE2 3.49Å; S762-Q766 WeakPolarHBondContact O-CB 3.37Å; S762-Q766 VanDerWaalsContact O-CG 3.23Å; S762-Q766 WeakPolarHBondContact O-CG 3.26Å; S762-Q766 PolarHBondContact O-N 3.08Å; S762-Q766 PolarHBondContact O-NE2 2.76Å; S762-Q766 VanDerWaalsContact O-NE2 3.15Å; K763-Q766 PolarHBondContact O-N 2.89Å; E764-Q766 VanDerWaalsContact C-N 3.26Å; E764-Q766 PolarHBondContact O-N 3.5Å; Q766-A770 WeakPolarHBondContact O-CB 3.35Å; Q766-A770 PolarHBondContact O-N 2.89Å; Q766-V777 HydrophobicContact CB-CG1 4.22Å; Q766-V780 HydrophobicContact CB-CG1 4.21Å; Q766-V780 HydrophobicContact CG-CG1 4.23Å
767S97.8Very high96.8Very high56 Ų5684 Ų8439%0.39243%0.426SS..Hα-helixtrans-69.8-47.2173-155.20000111.7K763 E764 M765 I769 A770 Q771K763-S767 PolarHBondContact O-N 2.92Å; K763-S767 VanDerWaalsContact O-N 3.08Å; E764-S767 CarbonylContact O-C 3.22Å; E764-S767 VanDerWaalsContact O-CA 3.29Å; E764-S767 WeakPolarHBondContact O-CA 3.14Å; E764-S767 WeakPolarHBondContact O-CB 3.33Å; E764-S767 PolarHBondContact O-N 2.74Å; M765-S767 VanDerWaalsContact C-N 3.26Å; M765-S767 PolarHBondContact O-N 3.17Å; S767-I769 VanDerWaalsContact C-N 3.32Å; S767-I769 PolarHBondContact O-N 3.43Å; S767-A770 WeakPolarHBondContact O-CB 3.19Å; S767-A770 PolarHBondContact O-N 2.93Å; S767-A770 VanDerWaalsContact O-N 3.11Å; S767-Q771 PolarHBondContact O-N 2.94Å
768T97.4Very high96.9Very high79 Ų7979.9 Ų79.949%0.48541%0.414SS..Hα-helixtrans-58.3-44.4175.2-40.40000111.5E764 M765 A770 Q771 Q772E764-T768 PolarHBondContact O-N 3.43Å; E764-T768 PolarHBondContact O-OG1 3.31Å; M765-T768 PolarHBondContact O-N 2.75Å; T768-A770 VanDerWaalsContact C-N 3.34Å; T768-A770 PolarHBondContact O-N 2.91Å; T768-Q771 PolarHBondContact O-N 3.31Å; T768-Q772 VanDerWaalsContact O-CB 3.22Å; T768-Q772 WeakPolarHBondContact O-CB 3.42Å; T768-Q772 PolarHBondContact O-N 3.15Å
769I97.3Very high97Very high13 Ų1379.4 Ų79.47%0.06741%0.411CS..Hα-helixtrans-64.7-38.3176.7-65.9162.4000111.2L751 I754 P761 M765 S767 L773 V780 F784L751-I769 HydrophobicContact CD2-CG2 3.65Å; I754-I769 HydrophobicContact CD1-CD1 3.92Å; I754-I769 HydrophobicContact CD1-CG1 3.84Å; I754-I769 HydrophobicContact CD1-CG2 4.1Å; I754-I769 HydrophobicContact CG2-CD1 3.87Å; P761-I769 HydrophobicContact CB-CD1 4.45Å; M765-I769 HydrophobicContact CE-CD1 4.39Å; M765-I769 HydrophobicContact CG-CD1 3.87Å; M765-I769 HydrophobicContact CG-CG1 4.45Å; M765-I769 WeakPolarHBondContact O-CB 3.45Å; M765-I769 VanDerWaalsContact O-CD1 3.29Å; M765-I769 WeakPolarHBondContact O-CD1 3.3Å; M765-I769 WeakPolarHBondContact O-CG1 3.19Å; M765-I769 PolarHBondContact O-N 3Å; S767-I769 VanDerWaalsContact C-N 3.32Å; S767-I769 PolarHBondContact O-N 3.43Å; I769-L773 HydrophobicContact CG2-CD1 3.83Å; I769-L773 VanDerWaalsContact O-CB 3.24Å; I769-L773 WeakPolarHBondContact O-CB 3.3Å; I769-L773 VanDerWaalsContact O-CG 3.3Å; I769-L773 WeakPolarHBondContact O-CG 3.5Å; I769-L773 PolarHBondContact O-N 3.1Å; I769-V780 HydrophobicContact CB-CG1 4.17Å; I769-V780 HydrophobicContact CG2-CG1 3.79Å; I769-V780 HydrophobicContact CG2-CG2 4.19Å; I769-F784 HydrophobicContact CD1-CE2 4.28Å; I769-F784 HydrophobicContact CD1-CZ 4.37Å
770A97.7Very high97.1Very high3 Ų374.7 Ų74.73%0.02539%0.39CS..Hα-helixtrans-64.3-50.1177.500000111.3Q766 S767 T768 L773 G774 L775 V777 V780Q766-A770 WeakPolarHBondContact O-CB 3.35Å; Q766-A770 PolarHBondContact O-N 2.89Å; S767-A770 WeakPolarHBondContact O-CB 3.19Å; S767-A770 PolarHBondContact O-N 2.93Å; S767-A770 VanDerWaalsContact O-N 3.11Å; T768-A770 VanDerWaalsContact C-N 3.34Å; T768-A770 PolarHBondContact O-N 2.91Å; A770-L773 PolarHBondContact O-N 2.69Å; A770-G774 PolarHBondContact O-N 3.25Å; A770-G774 VanDerWaalsContact O-N 3.11Å; A770-L775 CarbonylContact C-O 3.54Å; A770-L775 VanDerWaalsContact CB-O 3.31Å; A770-L775 WeakPolarHBondContact CB-O 3.31Å; A770-L775 PolarHBondContact O-N 2.88Å; A770-V777 HydrophobicContact CB-CB 4.34Å; A770-V777 HydrophobicContact CB-CG2 3.91Å; A770-V780 HydrophobicContact CB-CG2 3.77Å
771Q97.1Very high97.2Very high165 Ų16566.6 Ų66.677%0.77137%0.365SS*.Hα-helixtrans-58.9-51.1176-170178.921.300111.7S767 T768 L773 G774S767-Q771 PolarHBondContact O-N 2.94Å; T768-Q771 PolarHBondContact O-N 3.31Å; Q771-L773 PolarHBondContact O-N 2.92Å; Q771-L773 VanDerWaalsContact O-N 3.14Å; Q771-G774 PolarHBondContact O-N 3.34Å
772Q96.8Very high97.2Very high161 Ų16170 Ų7075%0.75238%0.382SS*.Hα-helixtrans-64.5-19.4-177.9-170.56217.300113.9T768T768-Q772 VanDerWaalsContact O-CB 3.22Å; T768-Q772 WeakPolarHBondContact O-CB 3.42Å; T768-Q772 PolarHBondContact O-N 3.15Å
773L97Very high97.2Very high24 Ų2468.4 Ų68.413%0.12637%0.368CS..Hα-helixtrans-109.4-1.4-178.3-69.3-176.2000114.7Q747 T750 L751 I769 A770 Q771 L775Q747-L773 HydrophobicContact CG-CB 4.23Å; Q747-L773 HydrophobicContact CG-CD2 4.4Å; Q747-L773 PolarHBondContact NE2-O 2.83Å; T750-L773 HydrophobicContact CG2-CD1 4.33Å; T750-L773 HydrophobicContact CG2-CD2 4.01Å; L751-L773 HydrophobicContact CD1-CD1 4.28Å; L751-L773 HydrophobicContact CD2-CD1 3.86Å; L751-L773 HydrophobicContact CG-CD1 3.66Å; I769-L773 HydrophobicContact CG2-CD1 3.83Å; I769-L773 VanDerWaalsContact O-CB 3.24Å; I769-L773 WeakPolarHBondContact O-CB 3.3Å; I769-L773 VanDerWaalsContact O-CG 3.3Å; I769-L773 WeakPolarHBondContact O-CG 3.5Å; I769-L773 PolarHBondContact O-N 3.1Å; A770-L773 PolarHBondContact O-N 2.69Å; Q771-L773 PolarHBondContact O-N 2.92Å; Q771-L773 VanDerWaalsContact O-N 3.14Å; L773-L775 HydrophobicContact CB-CD1 3.86Å; L773-L775 HydrophobicContact CB-CG 4.07Å; L773-L775 HydrophobicContact CD1-CD1 4.17Å
774G96.6Very high97.3Very high66 Ų6659.6 Ų59.668%0.6833%0.329SS*.THydrogen-bonded Turntrans6243.8-173.300000112.2A770 Q771A770-G774 PolarHBondContact O-N 3.25Å; A770-G774 VanDerWaalsContact O-N 3.11Å; Q771-G774 PolarHBondContact O-N 3.34Å
775L97.1Very high97.2Very high21 Ų2156.6 Ų56.611%0.1132%0.316CS..  trans-124.9158.1-178.9-68.6173.7000110.3L741 F743 Q747 L751 A770 L773 T779 V780L741-L775 HydrophobicContact CD1-CD2 4.33Å; L741-L775 HydrophobicContact CD2-CD2 4.41Å; F743-L775 HydrophobicContact CD1-CD1 4.06Å; F743-L775 HydrophobicContact CD1-CD2 4.23Å; F743-L775 HydrophobicContact CE1-CD1 3.86Å; F743-L775 HydrophobicContact CE1-CD2 4.16Å; Q747-L775 HydrophobicContact CB-CD1 4.41Å; Q747-L775 HydrophobicContact CG-CD1 4.24Å; Q747-L775 HydrophobicContact CG-CG 4.48Å; L751-L775 HydrophobicContact CD1-CD1 3.99Å; A770-L775 CarbonylContact C-O 3.54Å; A770-L775 VanDerWaalsContact CB-O 3.31Å; A770-L775 WeakPolarHBondContact CB-O 3.31Å; A770-L775 PolarHBondContact O-N 2.88Å; L773-L775 HydrophobicContact CB-CD1 3.86Å; L773-L775 HydrophobicContact CB-CG 4.07Å; L773-L775 HydrophobicContact CD1-CD1 4.17Å; L775-T779 HydrophobicContact CD2-CG2 4.21Å; L775-V780 HydrophobicContact CB-CG2 4.08Å; L775-V780 HydrophobicContact CD1-CG2 4.23Å
776Q96.6Very high97.1Very high133 Ų13355.7 Ų55.762%0.62131%0.313SS*.  trans-75145.8168.2-66.3-179.5-18.800111.1S778 T779 V780Q776-S778 WeakPolarHBondContact CB-OG 3.43Å; Q776-S778 PolarHBondContact O-N 3.01Å; Q776-S778 PolarHBondContact OE1-OG 3.48Å; Q776-T779 WeakPolarHBondContact O-CA 3.46Å; Q776-T779 WeakPolarHBondContact O-CB 3.38Å; Q776-T779 PolarHBondContact O-N 2.91Å; Q776-V780 PolarHBondContact O-N 3.06Å
777V97.4Very high96.9Very high58 Ų5855 Ų5535%0.35231%0.312SS..Hα-helixtrans-56-39.5174.8-166.60000111.2Q766 A770 T779 V780 A781Q766-V777 HydrophobicContact CB-CG1 4.22Å; A770-V777 HydrophobicContact CB-CB 4.34Å; A770-V777 HydrophobicContact CB-CG2 3.91Å; V777-T779 VanDerWaalsContact C-N 3.27Å; V777-T779 PolarHBondContact O-N 3.26Å; V777-V780 PolarHBondContact O-N 2.87Å; V777-A781 WeakPolarHBondContact O-CB 3.41Å; V777-A781 PolarHBondContact O-N 3.34Å
778S97.1Very high96.8Very high61 Ų6155.6 Ų55.643%0.42731%0.306SS..Hα-helixtrans-56.8-37.1172.463.30000113.1Q776 N782Q776-S778 WeakPolarHBondContact CB-OG 3.43Å; Q776-S778 PolarHBondContact O-N 3.01Å; Q776-S778 PolarHBondContact OE1-OG 3.48Å; S778-N782 VanDerWaalsContact O-CB 3.29Å; S778-N782 WeakPolarHBondContact O-CB 3.39Å; S778-N782 PolarHBondContact O-N 3.05Å; S778-N782 PolarHBondContact O-ND2 2.86Å
779T97.3Very high96.4Very high26 Ų2659.2 Ų59.216%0.1631%0.311CS..Hα-helixtrans-75.9-38.6179.7-68.80000111.2L741 F743 L775 Q776 V777 N782 F783L741-T779 HydrophobicContact CD1-CG2 4.16Å; L741-T779 HydrophobicContact CD2-CG2 4.14Å; F743-T779 HydrophobicContact CE1-CG2 3.63Å; F743-T779 HydrophobicContact CZ-CG2 3.81Å; L775-T779 HydrophobicContact CD2-CG2 4.21Å; Q776-T779 WeakPolarHBondContact O-CA 3.46Å; Q776-T779 WeakPolarHBondContact O-CB 3.38Å; Q776-T779 PolarHBondContact O-N 2.91Å; V777-T779 VanDerWaalsContact C-N 3.27Å; V777-T779 PolarHBondContact O-N 3.26Å; T779-N782 PolarHBondContact O-N 3.46Å; T779-F783 PolarHBondContact O-N 3.49Å
780V98Very high96Very high0 Ų066.7 Ų66.70%034%0.338CS..Hα-helixtrans-65.2-48.6172.4177.60000110.7L751 Q766 I769 A770 L775 Q776 V777 N782 F783 F784L751-V780 HydrophobicContact CD2-CG1 4.17Å; L751-V780 HydrophobicContact CD2-CG2 4.48Å; Q766-V780 HydrophobicContact CB-CG1 4.21Å; Q766-V780 HydrophobicContact CG-CG1 4.23Å; I769-V780 HydrophobicContact CB-CG1 4.17Å; I769-V780 HydrophobicContact CG2-CG1 3.79Å; I769-V780 HydrophobicContact CG2-CG2 4.19Å; A770-V780 HydrophobicContact CB-CG2 3.77Å; L775-V780 HydrophobicContact CB-CG2 4.08Å; L775-V780 HydrophobicContact CD1-CG2 4.23Å; Q776-V780 PolarHBondContact O-N 3.06Å; V777-V780 PolarHBondContact O-N 2.87Å; V780-N782 VanDerWaalsContact C-N 3.28Å; V780-N782 PolarHBondContact O-N 2.98Å; V780-F783 WeakPolarHBondContact O-CA 3.22Å; V780-F783 WeakPolarHBondContact O-CB 3.11Å; V780-F783 PolarHBondContact O-N 3.28Å; V780-F784 HydrophobicContact CG1-CD2 3.8Å; V780-F784 HydrophobicContact CG1-CE2 3.73Å; V780-F784 WeakPolarHBondContact O-CD2 3.46Å; V780-F784 PolarHBondContact O-N 3.39Å
781A97.6Very high95.5Very high24 Ų2467.8 Ų67.820%0.19835%0.345CS..Hα-helixtrans-54.9-44.3174.300000111.9V777 F784 M785V777-A781 WeakPolarHBondContact O-CB 3.41Å; V777-A781 PolarHBondContact O-N 3.34Å; A781-F784 PolarHBondContact O-N 3.39Å; A781-M785 WeakPolarHBondContact O-CB 3.46Å; A781-M785 WeakPolarHBondContact O-CG 3.45Å; A781-M785 PolarHBondContact O-N 3.28Å
782N97Very high93.9Very high79 Ų7964.5 Ų64.542%0.42233%0.333SS..Hα-helixtrans-62.8-39.4173.3-88.3-64.4000112.8S778 T779 V780 N786S778-N782 VanDerWaalsContact O-CB 3.29Å; S778-N782 WeakPolarHBondContact O-CB 3.39Å; S778-N782 PolarHBondContact O-N 3.05Å; S778-N782 PolarHBondContact O-ND2 2.86Å; T779-N782 PolarHBondContact O-N 3.46Å; V780-N782 VanDerWaalsContact C-N 3.28Å; V780-N782 PolarHBondContact O-N 2.98Å; N782-N786 VanDerWaalsContact O-CB 3.31Å; N782-N786 WeakPolarHBondContact O-CB 3.49Å; N782-N786 PolarHBondContact O-N 2.88Å; N782-N786 PolarHBondContact O-ND2 2.92Å
783F97.9Very high92.1Very high29 Ų2961.9 Ų61.913%0.12732%0.324CS..Hα-helixtrans-57.8-53.7172.9175.3-85.5000110.7F743 L751 Q752 F755 T779 V780 M785 N786 A787F743-F783 HydrophobicContact CE2-CD2 4.01Å; F743-F783 HydrophobicContact CZ-CB 4.15Å; F743-F783 HydrophobicContact CZ-CD2 4.26Å; L751-F783 HydrophobicContact CB-CD1 3.86Å; L751-F783 HydrophobicContact CB-CD2 4.13Å; L751-F783 HydrophobicContact CB-CE1 3.62Å; L751-F783 HydrophobicContact CB-CE2 3.88Å; L751-F783 HydrophobicContact CB-CG 4.13Å; L751-F783 HydrophobicContact CB-CZ 3.63Å; L751-F783 HydrophobicContact CD1-CB 4.31Å; L751-F783 HydrophobicContact CD1-CD1 4.43Å; L751-F783 HydrophobicContact CD1-CD2 3.92Å; L751-F783 HydrophobicContact CD1-CE2 4.39Å; L751-F783 HydrophobicContact CD1-CG 3.95Å; L751-F783 HydrophobicContact CD2-CD1 4.16Å; L751-F783 HydrophobicContact CD2-CG 4.37Å; L751-F783 HydrophobicContact CG-CD1 4.38Å; L751-F783 HydrophobicContact CG-CG 4.39Å; L751-F783 WeakPolarHBondContact O-CE1 3.33Å; Q752-F783 HydrophobicContact CG-CZ 4.15Å; F755-F783 HydrophobicContact CB-CE1 4.18Å; T779-F783 PolarHBondContact O-N 3.49Å; V780-F783 WeakPolarHBondContact O-CA 3.22Å; V780-F783 WeakPolarHBondContact O-CB 3.11Å; V780-F783 PolarHBondContact O-N 3.28Å; F783-M785 VanDerWaalsContact C-N 3.34Å; F783-M785 PolarHBondContact O-N 2.86Å; F783-N786 PolarHBondContact O-N 3.06Å; F783-N786 VanDerWaalsContact O-N 3.07Å; F783-A787 HydrophobicContact CE1-CB 4.15Å; F783-A787 WeakPolarHBondContact O-CB 3.34Å; F783-A787 PolarHBondContact O-N 3.41Å
784F97.4Very high90.3Very high0 Ų065.6 Ų65.60%034%0.339CS..Hα-helixtrans-64.6-36.2-177.7-78.9-83.4000112.6L751 I754 F755 P761 I769 V780 A781 R788L751-F784 HydrophobicContact CD2-CE2 3.94Å; I754-F784 HydrophobicContact CB-CZ 4.1Å; I754-F784 HydrophobicContact CG2-CE1 4.22Å; I754-F784 HydrophobicContact CG2-CZ 3.72Å; F755-F784 HydrophobicContact CB-CE1 3.98Å; F755-F784 AromaticContact CD2-CD1 3.81Å; F755-F784 HydrophobicContact CD2-CD1 3.81Å; F755-F784 HydrophobicContact CD2-CE1 4.05Å; P761-F784 VanDerWaalsContact CD-CD1 3.49Å; P761-F784 HydrophobicContact CG-CD1 3.67Å; P761-F784 HydrophobicContact CG-CD2 3.83Å; P761-F784 HydrophobicContact CG-CE1 3.71Å; P761-F784 HydrophobicContact CG-CE2 3.88Å; P761-F784 HydrophobicContact CG-CG 3.75Å; P761-F784 HydrophobicContact CG-CZ 3.84Å; I769-F784 HydrophobicContact CD1-CE2 4.28Å; I769-F784 HydrophobicContact CD1-CZ 4.37Å; V780-F784 HydrophobicContact CG1-CD2 3.8Å; V780-F784 HydrophobicContact CG1-CE2 3.73Å; V780-F784 WeakPolarHBondContact O-CD2 3.46Å; V780-F784 PolarHBondContact O-N 3.39Å; A781-F784 PolarHBondContact O-N 3.39Å; F784-R788 WeakPolarHBondContact O-CB 3.45Å; F784-R788 WeakPolarHBondContact O-CG 3.37Å; F784-R788 PolarHBondContact O-N 3.35Å
785M95Very high88.6Confident89 Ų8966.4 Ų66.444%0.43832%0.322SS..Hα-helixtrans-63.5-41.8170.1-75.6-162.9-70.500112.9A781 F783 R789A781-M785 WeakPolarHBondContact O-CB 3.46Å; A781-M785 WeakPolarHBondContact O-CG 3.45Å; A781-M785 PolarHBondContact O-N 3.28Å; F783-M785 VanDerWaalsContact C-N 3.34Å; F783-M785 PolarHBondContact O-N 2.86Å; M785-R789 WeakPolarHBondContact O-CB 3.21Å; M785-R789 PolarHBondContact O-N 3.38Å
786N94.7Very high86.6Confident52 Ų5270.6 Ų70.628%0.27834%0.341SS..Hα-helixtrans-68.5-39.4177.6-80.2-63.8000112N782 F783 R789 R790N782-N786 VanDerWaalsContact O-CB 3.31Å; N782-N786 WeakPolarHBondContact O-CB 3.49Å; N782-N786 PolarHBondContact O-N 2.88Å; N782-N786 PolarHBondContact O-ND2 2.92Å; F783-N786 PolarHBondContact O-N 3.06Å; F783-N786 VanDerWaalsContact O-N 3.07Å; N786-R789 PolarHBondContact O-N 3.15Å; N786-R789 VanDerWaalsContact OD1-CZ 3.29Å; N786-R789 PolarHBondContact OD1-NH1 3.15Å; N786-R789 PolarHBondContact OD1-NH2 3.14Å; N786-R790 WeakPolarHBondContact O-CB 3.48Å; N786-R790 WeakPolarHBondContact O-CG 3.28Å; N786-R790 PolarHBondContact O-N 2.86Å
787A95.1Very high84.3Confident15 Ų1570.6 Ų70.612%0.12434%0.341CS..Hα-helixtrans-64.1-51.5177.700000111.3F755 F783 R789 R790 S791F755-A787 HydrophobicContact CD1-CB 3.89Å; F755-A787 HydrophobicContact CD2-CB 3.74Å; F755-A787 HydrophobicContact CE1-CB 3.78Å; F755-A787 HydrophobicContact CE2-CB 3.62Å; F755-A787 HydrophobicContact CG-CB 3.87Å; F755-A787 HydrophobicContact CZ-CB 3.64Å; F783-A787 HydrophobicContact CE1-CB 4.15Å; F783-A787 WeakPolarHBondContact O-CB 3.34Å; F783-A787 PolarHBondContact O-N 3.41Å; A787-R789 PolarHBondContact O-N 3.36Å; A787-R789 VanDerWaalsContact O-N 3.11Å; A787-R790 PolarHBondContact O-N 3.37Å; A787-S791 PolarHBondContact O-N 3.26Å
788R94.5Very high82Confident70 Ų7072.9 Ų72.926%0.26435%0.351SS..Hα-helixtrans-57.9-24.1173.8-73.3-168-65.8-90.73.8114.5F755 K759 F784 S791F755-R788 HydrophobicContact CE2-CG 3.87Å; F755-R788 HydrophobicContact CZ-CG 4.38Å; K759-R788 VanDerWaalsContact O-CD 3.23Å; K759-R788 WeakPolarHBondContact O-CD 3.49Å; K759-R788 WeakPolarHBondContact O-CG 3.27Å; K759-R788 PolarHBondContact O-NH1 3.32Å; F784-R788 WeakPolarHBondContact O-CB 3.45Å; F784-R788 WeakPolarHBondContact O-CG 3.37Å; F784-R788 PolarHBondContact O-N 3.35Å; R788-S791 PolarHBondContact O-OG 3.15Å
789R89.7Confident79.8Confident154 Ų15474.4 Ų74.458%0.58136%0.358SS*.Hα-helixtrans-86.1-17.1177.1-151-164-46.2103.11.9113.3M785 N786 A787M785-R789 WeakPolarHBondContact O-CB 3.21Å; M785-R789 PolarHBondContact O-N 3.38Å; N786-R789 PolarHBondContact O-N 3.15Å; N786-R789 VanDerWaalsContact OD1-CZ 3.29Å; N786-R789 PolarHBondContact OD1-NH1 3.15Å; N786-R789 PolarHBondContact OD1-NH2 3.14Å; A787-R789 PolarHBondContact O-N 3.36Å; A787-R789 VanDerWaalsContact O-N 3.11Å
790R88.8Confident77.3Confident171 Ų17176.4 Ų76.465%0.64537%0.373SS*.Hα-helixtrans-116.1-12.9-172.3-73.9177.5165.9173.3-5.5114.3N786 A787 L792N786-R790 WeakPolarHBondContact O-CB 3.48Å; N786-R790 WeakPolarHBondContact O-CG 3.28Å; N786-R790 PolarHBondContact O-N 2.86Å; A787-R790 PolarHBondContact O-N 3.37Å; R790-L792 PolarHBondContact O-N 2.88Å
791S86.3Confident74.8Confident25 Ų2584.2 Ų84.218%0.17541%0.407CS..  trans-54.1117.6170.249.90000110.4A787 R788 D793A787-S791 PolarHBondContact O-N 3.26Å; R788-S791 PolarHBondContact O-OG 3.15Å; S791-D793 PolarHBondContact O-N 2.87Å
792L63.8Low72.4Confident96 Ų9689.3 Ų89.350%0.50343%0.43SS..G310 helixtrans-70.4-33.8-167-17762.8000112.7R790 K794 W795R790-L792 PolarHBondContact O-N 2.88Å; L792-K794 PolarHBondContact O-N 2.96Å; L792-W795 PolarHBondContact O-N 3.06Å
793D58.8Low70Confident107 Ų10789.4 Ų89.457%0.57244%0.437SS*.G310 helixtrans-41.3-41.9179.9-22.2-48.9000112.3S791 W795 Q796S791-D793 PolarHBondContact O-N 2.87Å; D793-W795 PolarHBondContact O-N 3.36Å; D793-Q796 PolarHBondContact O-N 3.43Å
794K59.9Low67.5Low102 Ų10292.3 Ų92.344%0.44346%0.461SS..G310 helixtrans-56.9-13-172.1-60.9-145.790.4-38.90116.8L792L792-K794 PolarHBondContact O-N 2.96Å
795W61.1Low65Low83 Ų8397.8 Ų97.831%0.31449%0.494SS..G310 helixtrans-133.914.3-176.3-44.8119.4000114.5K675 P676 K679 L792 D793K675-W795 HydrophobicContact CD-CZ2 4.49Å; P676-W795 HydrophobicContact CG-CB 4.35Å; P676-W795 HydrophobicContact CG-CD2 3.95Å; P676-W795 HydrophobicContact CG-CE3 3.57Å; P676-W795 HydrophobicContact CG-CG 4.29Å; P676-W795 HydrophobicContact CG-CZ3 4.35Å; K679-W795 HydrophobicContact CB-CE3 4.38Å; K679-W795 HydrophobicContact CB-CH2 3.89Å; K679-W795 HydrophobicContact CB-CZ3 3.68Å; K679-W795 HydrophobicContact CD-CZ3 3.81Å; K679-W795 HydrophobicContact CG-CE3 3.96Å; K679-W795 HydrophobicContact CG-CH2 4.11Å; K679-W795 HydrophobicContact CG-CZ3 3.39Å; L792-W795 PolarHBondContact O-N 3.06Å; D793-W795 PolarHBondContact O-N 3.36Å
796Q55.5Low62.9Low109 Ų10999.8 Ų99.851%0.50951%0.506SS..THydrogen-bonded Turntrans-97.9-25.4179.1-63.8-162.198.600113.7D793 D798 T799D793-Q796 PolarHBondContact O-N 3.43Å; Q796-D798 VanDerWaalsContact C-N 3.27Å; Q796-D798 PolarHBondContact O-N 3.28Å; Q796-T799 PolarHBondContact O-N 3.31Å; Q796-T799 VanDerWaalsContact O-N 3.1Å; Q796-T799 PolarHBondContact O-OG1 2.9Å
797E47.1Very low60.5Low133 Ų133104 Ų10462%0.62153%0.528SS*.Hα-helixtrans-56.6-34.2-173.4-63.1165.2140.600113.6T799E797-T799 VanDerWaalsContact C-N 3.27Å; E797-T799 PolarHBondContact O-N 3.02Å
798D49.8Very low57.9Low106 Ų106108.6 Ų108.657%0.56756%0.559SS**Hα-helixtrans-73-11.6-178.5-60.6-38.1000114Q796Q796-D798 VanDerWaalsContact C-N 3.27Å; Q796-D798 PolarHBondContact O-N 3.28Å
799T49.8Very low55.6Low92 Ų92111.6 Ų111.656%0.56459%0.588SS**Hα-helixtrans-108-22.2-173.2510000115.8Q796 E797Q796-T799 PolarHBondContact O-N 3.31Å; Q796-T799 VanDerWaalsContact O-N 3.1Å; Q796-T799 PolarHBondContact O-OG1 2.9Å; E797-T799 VanDerWaalsContact C-N 3.27Å; E797-T799 PolarHBondContact O-N 3.02Å
800S44.7Very low53.3Low69 Ų69110.2 Ų110.248%0.48360%0.602SS.*Hα-helixtrans-79.4-46.7177.3450000111.9L802 S803S800-L802 PolarHBondContact O-N 3.4Å; S800-L802 VanDerWaalsContact O-N 3.08Å; S800-S803 PolarHBondContact O-N 3.39Å; S800-S803 PolarHBondContact O-OG 3.36Å
801K45.8Very low51.2Low164 Ų164109.7 Ų109.771%0.71361%0.612SS**THydrogen-bonded Turntrans-64-14.3-175.1-66.4-159.7174-160.80115.7S804K801-S804 PolarHBondContact O-OG 2.99Å
802L48.4Very low49.3Very low131 Ų131113.5 Ų113.569%0.68664%0.639SS**THydrogen-bonded Turntrans-95.2-12.2175.9-145.674.5000113.5S800S800-L802 PolarHBondContact O-N 3.4Å; S800-L802 VanDerWaalsContact O-N 3.08Å
803S46Very low48.1Very low80 Ų80114.4 Ų114.456%0.55965%0.65SS**THydrogen-bonded Turntrans-90.6-16.9-178.363.70000114S800S800-S803 PolarHBondContact O-N 3.39Å; S800-S803 PolarHBondContact O-OG 3.36Å
804S45.4Very low47.1Very low91 Ų91120.3 Ų120.364%0.63667%0.666SS**SBendtrans-83.4-17.7-17941.60000115K801K801-S804 PolarHBondContact O-OG 2.99Å
805T45.5Very low46.1Very low115 Ų115120.3 Ų120.371%0.70668%0.679SS**SBendtrans-112.26-161.6-42.10000114.6
806I51.2Low44.9Very low131 Ų131128 Ų12867%0.67271%0.708SS**SBendtrans-12525.5-172.5-42.6-178.2000112.1
807N42.7Very low44Very low140 Ų140126.9 Ų126.975%0.74971%0.712SS**SBendtrans-133.255.5-179.2-74.2-56.3000113.7
808S40.7Very low43.6Very low112 Ų112128.4 Ų128.478%0.78372%0.719SS**  trans-165.5108.2159.3-89.80000111.3
809P47.3Very low42.8Very low132 Ų132130.5 Ų130.586%0.85773%0.726SS**  trans-79.6125.1162.1-5.924.1000109.5
810S41.8Very low42.3Very low126 Ų126134.2 Ų134.288%0.88174%0.736SS**  trans-69.2137.9175.2-48.70000111.7
811D44.6Very low41.8Very low160 Ų160134.5 Ų134.586%0.85675%0.75SS**  trans-139154.7158.7-140.7-29.7000110.9
812S45.9Very low41.3Very low105 Ų105135.2 Ų135.273%0.73476%0.756SS**  trans-84.3146.4-151.165.40000116.5
813P37.2Very low40.4Very low115 Ų115137.7 Ų137.775%0.74776%0.764SS**  trans-96.7128.7174.535-31000113.1
814Y38.1Very low39.8Very low230 Ų230139.7 Ų139.790%0.90278%0.778SS**  trans-163.5149.9154.1-117.5-75.8000112.6
815S39.2Very low39.1Very low103 Ų103140.6 Ų140.672%0.7279%0.785SS**  trans57.693.7167.7-580000116.2
816R36.4Very low38.4Very low243 Ų243142.9 Ų142.992%0.91779%0.789SS**  cis74.7138.149.2-157.6-172.2-165.3-1585.7114
817S36.9Very low37.4Very low86 Ų86142.4 Ų142.460%0.60179%0.787SS**  trans92.3131.6169.2-89.20000118.7
818E37.3Very low37.1Very low165 Ų165144.2 Ų144.277%0.77179%0.79SS**  trans65.1143146.1-72.3138.1-117.700120.4
819E33.9Very low36.6Very low150 Ų150144.1 Ų144.170%0.70178%0.781SS**  cis-168.7159.9-22.8-127.7-166.717100110.4
820H38.3Very low36Very low170 Ų170145.5 Ų145.579%0.78778%0.78SS**  trans60169.9160.4-72.773000118.9
821G36.1Very low35.5Very low75 Ų75144.4 Ų144.477%0.77377%0.772SS**  trans129.975.2158.700000117.8
822Q34.9Very low35.1Very low180 Ų180141.8 Ų141.884%0.84177%0.765SS**  trans-52.6147.6175.3-64.9144.6-44.600116.2
823Q28.6Very low34.7Very low183 Ų183141.1 Ų141.186%0.85576%0.76SS**  trans25.4114.4135.8-59.3174.3-14.100118.9
824S33.7Very low34.7Very low122 Ų122142.7 Ų142.785%0.85376%0.757SS**  trans-165.6126.2133.5-88.70000113.4
825S29.9Very low34.6Very low110 Ų110138.5 Ų138.577%0.76975%0.75SS**  trans-93119161.254.30000109.7
826M32.7Very low34.3Very low163 Ų163136.7 Ų136.780%0.80375%0.748SS**  trans-166.1123.8157.2-112.8-178.4-70.500114.5
827I29.6Very low34.4Very low121 Ų121131.9 Ų131.962%0.62174%0.741SS**  43110128.8-54.1172.6000119.3N829I827-N829 HydrophobicContact CG2-CB 4.38Å; I827-N829 WeakPolarHBondContact CG2-ND2 3.24Å
828H35.7Very low34.1Very low178 Ų178137 Ų13782%0.82475%0.753SS**  -157.6115.2118.3-132.3-85.7000108.9
829N30.9Very low34Very low109 Ų109133.5 Ų133.558%0.58375%0.746SS**  7293.156.3-78.1-8.3000116.5I827I827-N829 HydrophobicContact CG2-CB 4.38Å; I827-N829 WeakPolarHBondContact CG2-ND2 3.24Å
830L34.2Very low34.1Very low161 Ų161133 Ų13384%0.84375%0.748SS**  98.2145.9103.7-162.767.9000120.2
831C32.5Very low33.6Very low104 Ų104129.8 Ų129.870%0.70374%0.744SS**  trans88.1134.9161.6-170.20000116.4
832C34.6Very low33.7Very low105 Ų105132 Ų13271%0.70974%0.743SS**  cis-160.9173.4-7.8-780000106.3
833S37.9Very low33.8Very low91 Ų91129 Ų12964%0.63674%0.739SS**  cis-168.9171-2.8-110.10000105.9
834Q38.5Very low34.1Very low148 Ų148130.5 Ų130.569%0.69274%0.738SS**  cis-163.9-174.1-1.4-124.7162.2-100.500110.1
835D35.4Very low34.2Very low141 Ų141129.8 Ų129.875%0.75473%0.733SS**  trans28.2138.7148.9-44.6-27.7000122
836G33Very low34.4Very low66 Ų66131.8 Ų131.868%0.6873%0.734SS**  cis175.2172.6-0.400000114.5
837D36.9Very low34.7Very low142 Ų142130 Ų13076%0.75974%0.735SS**  trans66111.6165-57.2-4.4000119.6
838F30.9Very low34.9Very low194 Ų194128.3 Ų128.385%0.85173%0.734SS**  75.5140.173.3-67.8-52.9000114.3
839S36.2Very low34.7Very low91 Ų91130.4 Ų130.464%0.63674%0.735SS**  cis-164.1149.9-7.548.40000108
840N35.6Very low34.9Very low138 Ų138135.9 Ų135.974%0.73875%0.747SS**  -172.2137.274.2-98-49.4000107.8
841C28.4Very low34.9Very low104 Ų104137.1 Ų137.170%0.70375%0.749SS**  61.1124.778.1-59.40000113.3
842T37.1Very low35.2Very low122 Ų122138.2 Ų138.275%0.74875%0.754SS**  cis-148.1144.547.743.70000116.4
843P37.6Very low35.3Very low117 Ų117136.7 Ų136.776%0.7676%0.757SS**  trans-131.4154150.837.8-26000113.8
844Y35.8Very low34.7Very low214 Ų214138.5 Ų138.584%0.83977%0.768SS**  trans-154.1151.2174.9-80.7-93.5000109.5
845S33.8Very low34.6Very low106 Ų106136.6 Ų136.674%0.74177%0.771SS**  cis-166.2161.6-25-1090000111.5
846L36Very low34.4Very low152 Ų152136.8 Ų136.880%0.79677%0.767SS**  trans-69167.6174.2-112.974000113.1
847P38.9Very low34.4Very low125 Ų125138.8 Ų138.881%0.81277%0.771SS**  -153.6-163.458.239.1-15.7000116.4
848S33.7Very low33.9Very low87 Ų87138.7 Ų138.761%0.60877%0.769SS**  179151.5-50.3-173.30000111.7
849R31.4Very low34Very low221 Ų221135.7 Ų135.783%0.83477%0.767SS**  trans67.7141.4163-96.7177.2-173-118.20.5117.6
850R35.3Very low33.7Very low225 Ų225137.6 Ų137.685%0.84977%0.774SS**  cis-153.9168.833.7-61.2-179.6177.3-137.4-0.1113.6
851Q33.8Very low33.9Very low187 Ų187136.2 Ų136.287%0.87477%0.773SS**  trans-99-166.3165.9-64.5-170.4-21.900110.9
852P38.6Very low33.9Very low126 Ų126136.7 Ų136.782%0.81877%0.772SS**  cis-141.5-174-0.444.5-25.4000117.2
853G35.4Very low33.4Very low74 Ų74136 Ų13676%0.76377%0.772SS**  trans-178.1140.5165.600000115.5
854C26.9Very low33Very low129 Ų129136.1 Ų136.187%0.87277%0.771SS**  trans-82.7178.2-180-52.30000112.2
855S36.8Very low32.7Very low107 Ų107133.6 Ų133.675%0.74877%0.771SS**  cis-158.117621.752.10000115.2
856Q30.9Very low32.4Very low145 Ų145137.4 Ų137.468%0.67878%0.775SS**  trans-47.8155.5176.5-72.777.3500114.6I858Q856-I858 HydrophobicContact CB-CD1 4.41Å; Q856-I858 HydrophobicContact CG-CD1 3.97Å
857S31.7Very low32.1Very low108 Ų108136.1 Ų136.176%0.75577%0.773SS**  -151.614652.5-550000111.2
858I27.4Very low31.8Very low141 Ų141137.6 Ų137.672%0.72377%0.773SS**  56.6110.862.1-52.1170.9000109.1Q856Q856-I858 HydrophobicContact CB-CD1 4.41Å; Q856-I858 HydrophobicContact CG-CD1 3.97Å
859T32.4Very low31.5Very low131 Ų131139.5 Ų139.580%0.80478%0.777SS**  -136.6157.859.745.20000116.5
860T30.6Very low31.4Very low130 Ų130135.4 Ų135.480%0.79877%0.772SS**  trans-127.8-164.7158.158.50000106.2
861P38.4Very low31.1Very low109 Ų109128.6 Ų128.671%0.70876%0.759SS**  cis-126.4-152.7-34.2223.1000110.7
862V28.5Very low31Very low114 Ų114128.7 Ų128.769%0.69176%0.756SS**  trans85.7102.3153.7-1680000118.8
863S27.8Very low30.9Very low107 Ų107129.5 Ų129.575%0.74875%0.752SS**  26.8156.9120.4-38.50000123.2
864T28Very low30.7Very low121 Ų121132 Ų13274%0.74276%0.755SS**  trans101.8149.8144.4-20.30000118.1
865L30.1Very low31Very low160 Ų160128.9 Ų128.984%0.83875%0.745SS**  trans85.295.1165.4-59.2178.8000118.3
866K28.6Very low30.6Very low187 Ų187131.2 Ų131.281%0.81375%0.749SS**  trans-48.3153.2147.4-68179.7173.3-179.10111.5
867T29.6Very low30.9Very low125 Ų125129 Ų12977%0.76775%0.747SS**  trans52.2118.4149.854.50000118.8
868L30.9Very low30.8Very low155 Ų155129.5 Ų129.581%0.81275%0.746SS**  -158.4111.799.9-90.1158.9000105.9
869D27.8Very low30.8Very low128 Ų128131 Ų13168%0.68475%0.749SS**  83.3157.274.5-169.421.2000111.7
870N30.6Very low30.6Very low135 Ų135130.5 Ų130.572%0.72274%0.742SS**  trans74.5138.1-167.1-47.4-84.9000114.3
871S29.1Very low30.4Very low82 Ų82130.6 Ų130.657%0.57373%0.733SS**  cis-179158.2-12.249.90000109.3
872F31.4Very low29.9Very low189 Ų189132.9 Ų132.983%0.82973%0.734SS**  trans65.6134164.3-66.5-66.9000115.5
873I35.5Very low29.8Very low143 Ų143135.2 Ų135.273%0.73374%0.741SS**  cis-136.7139.82.6-92.1138000109
874P31.2Very low29.9Very low125 Ų125135 Ų13581%0.81274%0.736SS**  trans-86.2152.5167.835.6-33.5000112
875G33.5Very low29.7Very low64 Ų64141.2 Ų141.266%0.6675%0.745SS**  trans110.8153.6168.600000113.9
876N27.7Very low29.5Very low156 Ų156137.7 Ų137.783%0.83473%0.734SS**  cis-151156.5-9.7-13832.3000109.1
877P39Very low29.3Very low100 Ų100136.4 Ų136.465%0.64974%0.736SS**  trans-83.2-172.7-179.738-36.2000110.7
878T28.3Very low29.2Very low117 Ų117135.1 Ų135.172%0.71873%0.732SS**  trans74.8153.2174.6-10.70000113.8
879E27.1Very low29Very low172 Ų172135.5 Ų135.580%0.80473%0.734SS**  trans68.8152.8166.7-66.4171.9-164.600115
880L28.1Very low29.1Very low122 Ų122133.3 Ų133.364%0.63973%0.734SS**  cis-136.5123.49.5-160.862.7000111.5
881E27.9Very low29.1Very low131 Ų131132 Ų13261%0.61274%0.736SS**  trans69.3126.2143.4-70.1-174144.500120.2
882Q27.3Very low29.2Very low158 Ų158133.2 Ų133.274%0.73874%0.743SS**  46.89885.5-50.5175.657.400112.9
883I27.5Very low29.4Very low162 Ų162130.9 Ų130.983%0.83174%0.739SS**  trans-154.9113.6142.6-109.8151.1000109.6
884T28.2Very low29.5Very low104 Ų104128.3 Ų128.364%0.63873%0.734SS**  trans40129.6162.844.80000120.5
885R24.1Very low29.6Very low251 Ų251130.8 Ų130.895%0.94773%0.732SS**  cis49.750.548.6-61.9-174.8170.9157.9-3.9115.6
886S26.8Very low29.7Very low86 Ų86133 Ų13360%0.60173%0.732SS**  trans-157.3126.5157.349.70000108.6
887N24.9Very low29.9Very low159 Ų159134.6 Ų134.685%0.8573%0.732SS**  52.3144.262.5-75.3-27.3000113.5
888S26.3Very low29.7Very low99 Ų99134.7 Ų134.769%0.69273%0.733SS**  trans97.4111.5168.3-167.50000117
889L27.6Very low29.7Very low163 Ų163133.9 Ų133.985%0.85373%0.732SS**  44.8136.3127.9-47.6173.8000118.9
890A30Very low29.9Very low82 Ų82132 Ų13268%0.67873%0.727SS**  cis-154.6161.123.200000113.3
891S30.9Very low30.1Very low108 Ų108133.9 Ų133.976%0.75573%0.732SS**  34.8145.6129.2-49.60000120.4
892C30.5Very low30.3Very low107 Ų107133 Ų13372%0.72374%0.736SS**  cis-163.816316.211.30000108.2
893N36.3Very low30.7Very low140 Ų140131.1 Ų131.175%0.74974%0.737SS**  cis-157.3137.68.1-110.5-17.1000110.5
894S35.9Very low30.8Very low89 Ų89131 Ų13162%0.62274%0.738SS**  71143.4128.6-54.60000122
895F34.1Very low30.6Very low176 Ų176131.5 Ų131.577%0.77274%0.741SS**  cis-157.7147.10.1-134.5-138.6000112.2
896T34.8Very low30.7Very low110 Ų110124.1 Ų124.168%0.67573%0.727SS**  trans54124.9155.750.50000120.9
897K32.7Very low30.8Very low191 Ų191127 Ų12783%0.8374%0.736SS**  cis91.314844.6-90.2-156.4155-170.60114.7
898P34.6Very low31Very low101 Ų101128.1 Ų128.166%0.65673%0.734SS**  cis-150177.4-47.341.9-22.7000116.1
899S29.2Very low31.3Very low101 Ų101127.1 Ų127.171%0.70673%0.731SS**  trans76.5151.3137.5-128.50000123.1
900N30.9Very low31.5Very low131 Ų131129.2 Ų129.270%0.70173%0.728SS**  trans96.7111.2146.3-67.5-0.1000121.4
901H32.1Very low31.5Very low162 Ų162131 Ų13175%0.7573%0.73SS**  trans76.7115.7132.4-83-101.2000121.7
902V32Very low31.4Very low113 Ų113130.8 Ų130.869%0.68572%0.724SS**  73.7129.7127.5171.40000117.7
903P34.4Very low31.4Very low118 Ų118133 Ų13377%0.76673%0.728SS**  trans-71.9148.217232.4-36.2000111
904L29.9Very low31.2Very low161 Ų161130.3 Ų130.384%0.84372%0.72SS**  trans-163.3149.6151-110.3163.6000111.8
905T25.5Very low30.9Very low114 Ų114132 Ų13270%0.69972%0.722SS**  trans-54.9164.917952.50000116.1
906S25.9Very low30.8Very low95 Ų95129.4 Ų129.466%0.66472%0.717SS**  trans86.5113.5148.376.80000120.2
907N28.4Very low30.7Very low147 Ų147129.6 Ų129.679%0.78671%0.713SS**  40.199.1118.2-55-13.7000119.4
908F28.8Very low30.8Very low183 Ų183126.5 Ų126.580%0.80371%0.706SS**  -144.5110129.8-90.2-83.9000106.5
909A31.9Very low30.9Very low77 Ų77130.5 Ų130.564%0.63671%0.713SS**  65.4146.576.400000112.4
910R32.3Very low31.2Very low208 Ų208130.1 Ų130.179%0.78571%0.71SS**  cis-137.5154.731.9-62.6170176.6146.31.4109.8
911T30.4Very low31.6Very low118 Ų118131 Ų13172%0.72472%0.715SS**  57.4137.354.6-23.40000109.7
912V29.8Very low31.6Very low105 Ų105129.2 Ų129.264%0.63671%0.71SS**  -160.1152.251.1-142.10000105.2
913L30.2Very low31.7Very low154 Ų154132.4 Ų132.481%0.80672%0.715SS**  cis-149.7146.245-68.2151.8000109.2
914S30.6Very low31.6Very low82 Ų82135.1 Ų135.157%0.57372%0.715SS**  65.5138.854.3-72.90000113.4
915N30.5Very low31.7Very low126 Ų126132.1 Ų132.167%0.67471%0.706SS**  cis-165.4178.96.2-113.421.2000107.5
916N32.3Very low32.1Very low121 Ų121132.6 Ų132.665%0.64770%0.704SS**  cis-169.3177.217.9-136.4-6.5000113.3
917N32.3Very low32.5Very low114 Ų114135 Ų13561%0.6171%0.71SS**  trans77.2141.6147.7-7329.4000120.2
918D34.7Very low32.8Very low125 Ų125131.7 Ų131.767%0.66870%0.698SS**  cis-160.9162.55-123.8-25.5000114.6
919K36.3Very low33Very low186 Ų186133.2 Ų133.281%0.80970%0.699SS**  trans77146.9168.6-64.1168.7-176.1171.10118.4
920S36.9Very low33.2Very low92 Ų92135.1 Ų135.164%0.64370%0.698SS**  cis-177.3138.7-13.849.70000110.2
921D38.4Very low33.2Very low150 Ų150131.5 Ų131.580%0.80269%0.694SS**  cis-127.1-102.3-12.7-66.7-44.7000109.7
922L32Very low33.3Very low125 Ų125132.7 Ų132.765%0.65469%0.693SS**  cis-153.4111.9-12.5-174.570.8000111.3
923F34.1Very low33.3Very low179 Ų179133.7 Ų133.779%0.78569%0.694SS**  trans65.9137.8172.9-56.9-41000117.9
924K33.2Very low33.2Very low175 Ų175131.6 Ų131.676%0.76169%0.687SS**  cis-161.1147.53.8-133.6-173.8178.1-177.70113.2
925C31.4Very low33.1Very low98 Ų98134 Ų13466%0.66269%0.693SS**  trans65.2141.1157.3-62.40000118.6
926D34.3Very low33Very low124 Ų124134.9 Ų134.966%0.66369%0.694SS**  cis-163134.9-11-119.7-52.3000112.7
927N33.8Very low33Very low147 Ų147135.3 Ų135.379%0.78669%0.691SS**  trans45.2145.1144.5-85.3-64.4000123.4
928S33.9Very low32.7Very low76 Ų76138.5 Ų138.553%0.53170%0.695SS.*  cis-170.1157.8-1.775.60000114.1
929R34.2Very low32.6Very low216 Ų216137.9 Ų137.982%0.81570%0.695SS**  trans67.7149.5152.9-67.3-177.2164.3127.8-3.6118.5
930N34.8Very low32.2Very low116 Ų116137.9 Ų137.962%0.6270%0.696SS**  cis-165.1145.2-4.9-113.4-0.9000110.7
931N33.8Very low31.9Very low133 Ų133140.1 Ų140.171%0.71170%0.701SS**  trans43.2147.2133.7-65.88.7000121.8
932M30.7Very low31.4Very low142 Ų142137.3 Ų137.370%0.770%0.699SS**  cis-171.4145.118.9-128.8170.758.100114.8
933I31.4Very low31.4Very low126 Ų126139.2 Ų139.265%0.64671%0.709SS**  67.1106.6129-80.6-179.7000123.2
934T28Very low31.1Very low110 Ų110138.1 Ų138.168%0.67571%0.711SS**  82.5140.1122.267.30000127.4
935L29Very low30.8Very low133 Ų133135 Ų13570%0.69671%0.711SS**  87.4105.8127.9-82.5164000122.1
936E27.8Very low30.7Very low145 Ų145135.4 Ų135.468%0.67871%0.71SS**  74.9158.5122.3-112.6177.7-133.400122.1
937H31Very low30.7Very low130 Ų130136.5 Ų136.560%0.60272%0.716SS**  trans72.5149.4162.8-72.914.8000117.3
938R27.9Very low30.4Very low181 Ų181136.7 Ų136.768%0.68372%0.718SS**  cis-173.2161.3-17.5-177.2-172-71.2-150.81.1107.5
939T32Very low30.5Very low111 Ų111138.3 Ų138.368%0.68173%0.726SS**  trans68.1126.1160.133.40000116.6
940F27.2Very low30.1Very low186 Ų186132.5 Ų132.582%0.81672%0.719SS**  84.4142.652.9-95.2-83000115.2
941N30.9Very low29.9Very low139 Ų139132.4 Ų132.474%0.74372%0.722SS**  trans72.9126.1169-50-29.2000115
942A27.4Very low29.7Very low92 Ų92132.6 Ų132.676%0.7672%0.722SS**  cis74.978.52400000115.5
943L32.4Very low30Very low165 Ų165131.5 Ų131.586%0.86473%0.725SS**  trans-135.2121145.1-66.7175.6000105.7
944N27Very low29.8Very low156 Ų156130.4 Ų130.483%0.83473%0.725SS**  63.1119.765.5-94.4-10.6000116
945S26.7Very low30.1Very low110 Ų110131.1 Ų131.177%0.76973%0.729SS**  trans90.1163.6142-137.50000121.1
946T30Very low30.1Very low105 Ų105130.8 Ų130.864%0.64473%0.726SS**  trans71.2100.8159.147.30000120.7
947D34Very low30.4Very low147 Ų147134.3 Ų134.379%0.78674%0.735SS**  94.2110.9116.8-56.7-16.9000122.4
948N27.5Very low30.4Very low152 Ų152131.5 Ų131.581%0.81373%0.734SS**  trans-19.7156131.1-74.7-49.3000115.6
949P37Very low30.4Very low109 Ų109127 Ų12771%0.70873%0.73SS**  cis-153.7165.238.444.6-25000119.3
950S26.3Very low30.3Very low95 Ų95129.2 Ų129.266%0.66473%0.733SS**  trans45.9157132.279.30000124.9
951T30.5Very low30.4Very low113 Ų113126.2 Ų126.269%0.69373%0.725SS**  trans94.595.6142.9-52.60000119.2
952I28.1Very low30.4Very low137 Ų137124.1 Ų124.170%0.70372%0.722SS**  44.2119.5112.7-61.4169.3000116.6T954I952-T954 WeakPolarHBondContact CG2-OG1 3.35Å
953P36.7Very low30.4Very low119 Ų119125.3 Ų125.377%0.77372%0.72SS**  -132.8158.872.430.4-12.7000114.7
954T28.6Very low30Very low103 Ų103122.4 Ų122.463%0.63271%0.712SS**  cis82.9153.233.2-55.90000114.2I952 I956I952-T954 WeakPolarHBondContact CG2-OG1 3.35Å; T954-I956 HydrophobicContact CG2-CD1 4.33Å
955V34.9Very low30Very low125 Ų125122.1 Ų122.176%0.75871%0.706SS**  trans86.586.1-170.3-169.30000112.2
956I28.7Very low30Very low126 Ų126123.6 Ų123.665%0.64670%0.7SS**  72.410364-55.6159.4000112.4T954T954-I956 HydrophobicContact CG2-CD1 4.33Å
957Y33.3Very low30.1Very low219 Ų219126.5 Ų126.586%0.85971%0.707SS**  -158.9122.5108.5-108.3-96.9000104.2
958A30.6Very low29.9Very low71 Ų71126.5 Ų126.559%0.58770%0.702SS**  59.7130.768.800000111.7
959S28.9Very low30.2Very low86 Ų86128.3 Ų128.360%0.60171%0.708SS**  cis-169.1156.611.8-122.30000111.5
960Q29.9Very low29.9Very low158 Ų158129.4 Ų129.474%0.73871%0.708SS**  trans67.1158.2140.6-64.6174.8-77.100118.5
961D28.9Very low30.4Very low123 Ų123129.1 Ų129.166%0.65871%0.711SS**  cis-159.9173.2-17.4-106.4-20.1000109
962S31.6Very low30.6Very low95 Ų95132 Ų13266%0.66472%0.717SS**  trans57115.8152.5-71.50000119.9
963T26.6Very low30.7Very low117 Ų117131 Ų13172%0.71871%0.713SS**  67.2147.458.972.60000115.4
964C25.2Very low30.7Very low104 Ų104134.4 Ų134.470%0.70372%0.716SS**  trans75145.2160-67.50000117.1
965E26.1Very low30.8Very low150 Ų150133.7 Ų133.770%0.70172%0.715SS**  cis-169.4161.8-17.8-126.3175.1137.200110.7
966Q26.6Very low30.6Very low141 Ų141133.8 Ų133.866%0.65971%0.711SS**  trans57.5160.9148.6-117.366.9-19.900123.7
967Q32.7Very low30.8Very low167 Ų167134.1 Ų134.178%0.7871%0.714SS**  trans69.395.5157.2-69.5155.946.600115.9
968Q28.8Very low30.7Very low147 Ų147133.2 Ų133.269%0.68771%0.711SS**  67112.851.3-165-171.8-8.100114.1D970Q968-D970 PolarHBondContact NE2-OD2 3.1Å
969M34.8Very low30.5Very low189 Ų189134.3 Ų134.393%0.93171%0.714SS**  trans-147.5148.7135-79.9-154.2-66.600108.8
970D29.9Very low30.6Very low133 Ų133137.4 Ų137.471%0.71172%0.723SS**  trans-111.4147.9-160.9-50.8-92.4000113.7Q968Q968-D970 PolarHBondContact NE2-OD2 3.1Å
971A36.5Very low30.8Very low89 Ų89137.7 Ų137.774%0.73672%0.724SS**  trans-176.8114.9151.400000107.7
972E34.5Very low30.7Very low174 Ų174138.6 Ų138.681%0.81373%0.728SS**  61.5126.978.8-71-153.9-133.300113.9
973N31.1Very low30.6Very low115 Ų115138.8 Ų138.862%0.61573%0.726SS**  cis-158.3-1721-140-48.5000111
974F36.6Very low30.8Very low191 Ų191138.6 Ų138.684%0.83873%0.725SS**  trans77.657.6172.1-60.3-77.5000119.7
975S30.2Very low31Very low88 Ų88142.2 Ų142.262%0.61573%0.731SS**  23.9121.5110-164.60000120.1
976N31.9Very low31.4Very low126 Ų126141.9 Ų141.967%0.67473%0.733SS**  trans68.8135.2139.9-64.82.3000120.2
977N32.7Very low31.5Very low133 Ų133142.5 Ų142.571%0.71174%0.735SS**  cis-146.6140.88.4-96.5-27.7000114.8
978Y30.8Very low31.5Very low200 Ų200142.7 Ų142.778%0.78474%0.736SS**  trans-19.9144.7144-59.9-84.1000116.6
979S27.2Very low31.8Very low95 Ų95140.3 Ų140.366%0.66474%0.736SS**  cis62.5130.73.7-155.50000119.3
980L30.6Very low31.8Very low151 Ų151140.8 Ų140.879%0.79173%0.733SS**  trans67.2171.3177.4-39.5179000114.1
981H34.7Very low32.4Very low163 Ų163139.4 Ų139.476%0.75573%0.731SS**  cis-150176.2-0.2-163-111.3000111.2
982L25.5Very low32.4Very low142 Ų142143.8 Ų143.874%0.74374%0.736SS**  trans-87.2175.3168.1-153.272.9000111.5
983T29.9Very low32.3Very low99 Ų99143.5 Ų143.561%0.60774%0.735SS**  trans80.998.4148.6-51.60000120.4
984T31.3Very low32.6Very low114 Ų114146.3 Ų146.370%0.69975%0.749SS**  trans70.2134.7139.3600000125.8
985Q28.9Very low32.6Very low180 Ų180145.3 Ų145.384%0.84175%0.747SS**  trans83.8163140.2-80.4-170.961.500122.7
986I34.4Very low32.9Very low143 Ų143145.9 Ų145.973%0.73375%0.751SS**  trans91.386.2166-47.7-171.6000119.4
987Q29.7Very low33.2Very low153 Ų153147.9 Ų147.972%0.71576%0.756SS**  54.4135.1121.3-76.8-180-20.300125.8
988H31.9Very low33.3Very low171 Ų171149.2 Ų149.279%0.79276%0.758SS**  trans59.7130145.4-52-47000119.7
989S34.6Very low33.5Very low97 Ų97146.9 Ų146.968%0.67875%0.754SS**  -173.1139.656.8-65.60000114.5
990F35.3Very low34Very low199 Ų199149.5 Ų149.587%0.87376%0.756SS**  trans47.1166.6140.6-77-78.7000123.2
991P41.3Very low34.2Very low104 Ų104149.9 Ų149.968%0.67575%0.753SS**  cis-128.5162.7-17.135.9-20.2000115.2
992H36.8Very low34.2Very low182 Ų182150.3 Ų150.384%0.84376%0.756SS**  trans-150.3162137.2-119.7-85.2000111.1
993Q34Very low34.6Very low167 Ų167149 Ų14978%0.7876%0.756SS**  trans-80.4147.2-161.4-59.4156.7-32.700114.7
994L36.6Very low34.8Very low174 Ų174152.7 Ų152.791%0.91177%0.766SS**  -173.8-179.2116.2-97.4163.9000112.4
995Q35.4Very low34.8Very low171 Ų171155.4 Ų155.480%0.79977%0.771SS**  trans-102.3164-150.3-157.991.2-3.900115.9
996S37.9Very low35Very low100 Ų100152.1 Ų152.170%0.69977%0.768SS**  trans80.888.4150.431.60000122.1
997Q37.9Very low34.7Very low167 Ų167152.7 Ų152.778%0.7877%0.772SS**  45.6126.8118.1-63.4179.19.500123
998Q35Very low34.8Very low162 Ų162153.4 Ų153.476%0.75778%0.78SS**  trans68.5143.7138.8-65.3174.8-27.900118.7
999E34.7Very low34.7Very low150 Ų150150.3 Ų150.370%0.70178%0.778SS**  cis-154.2151.12-127.4-167.5120.800114.4
1000H37.1Very low34.8Very low150 Ų150151.6 Ų151.669%0.69478%0.784SS**  trans30.8128.6152.3-76.2114.5000126
1001Q35.9Very low34.5Very low159 Ų159146.7 Ų146.774%0.74377%0.774SS**  110121.8126-84.4178.598.300123.9
1002Q34.5Very low34.1Very low173 Ų173149 Ų14981%0.80878%0.78SS**  trans72.3133.5151.1-64.2-165.84.900122.3
1003P32.8Very low33.9Very low114 Ų114147.9 Ų147.974%0.7478%0.779SS**  trans-118.2160.4176.941.7-32.3000115.3
1004Q35Very low33.9Very low177 Ų177148.7 Ų148.783%0.82778%0.783SS**  trans-167.9131140.1-115161.997.600115.3
1005Q31.9Very low33.8Very low171 Ų171150.6 Ų150.680%0.79978%0.778SS**  trans58.9150.6146.8-73.2-177.70.500124.3
1006S31.5Very low33.9Very low111 Ų111149 Ų14978%0.77677%0.77SS**  trans83.7113.9159.769.70000120.3
1007N29.2Very low33.8Very low154 Ų154151.5 Ų151.582%0.82477%0.771SS**  trans7.4124.3147.4-51.6-7.4000119.1
1008L30.9Very low33.7Very low169 Ų169147.3 Ų147.389%0.88576%0.759SS**  -175.8158.2111.5-98.5160.7000111.6
1009S30.9Very low33.6Very low105 Ų105148.2 Ų148.273%0.73476%0.764SS**  trans-60.3156164.5-41.40000110
1010P35.7Very low33.6Very low124 Ų124145.5 Ų145.581%0.80576%0.761SS**  -152.4-179.666.841.7-21.7000116.7
1011S28.9Very low33.4Very low97 Ų97143.8 Ų143.868%0.67877%0.766SS**  trans-71150.3163.253.40000113.5
1012L32.7Very low33.4Very low151 Ų151140.7 Ų140.779%0.79176%0.762SS**SBendtrans69.4114.2153.4-66.9161.3000120
1013L33.7Very low33.4Very low159 Ų159141 Ų14183%0.83276%0.763SS**  trans59.595.2139.7-67.2166.2000119.5
1014H32.8Very low33.8Very low184 Ų184140.5 Ų140.585%0.85276%0.76SS**  trans-50.6145.7147.7-89.140.2000112.5
1015R34.6Very low33.6Very low215 Ų215139.9 Ų139.981%0.81176%0.759SS**  -174.9100112.3-173.4172.9177.7137.16.2114.4
1016H38.3Very low33.5Very low138 Ų138137.7 Ų137.764%0.63975%0.753SS**  trans63.6157153-61.8-42.7000118.7
1017H36.8Very low33.5Very low152 Ų152136.9 Ų136.970%0.70474%0.743SS**  cis-153145.8-2.7-127-57.5000111.8
1018S34Very low33.5Very low78 Ų78137.1 Ų137.155%0.54574%0.739SS.*  trans66.8119.2143.7-61.90000123
1019Q34.4Very low33.6Very low182 Ų182135.9 Ų135.985%0.8573%0.733SS**  trans70.5144.8132.1-63170.911.600119.4
1020S33.1Very low34Very low92 Ų92137.3 Ų137.364%0.64374%0.737SS**  cis-174.7150.5-17.350.90000110.9
1021S33.8Very low34.1Very low114 Ų114136.2 Ų136.280%0.79773%0.73SS**  trans67.2155.2159.376.70000118
1022S34.9Very low34.1Very low94 Ų94138.8 Ų138.866%0.65774%0.735SS**  cis-167.2147.8-26.851.30000113
1023H35.4Very low33.9Very low181 Ų181136.9 Ų136.984%0.83874%0.735SS**  trans74.9158.2148.3-78.3-32.5000120.8
1024P42.2Very low33.7Very low102 Ų102134 Ų13466%0.66273%0.727SS**  trans-134.1-154.7-149.340.7-18.7000113
1025M30.6Very low33.5Very low164 Ų164129.5 Ų129.581%0.80872%0.717SS**  trans72155.8177.2-59.5-69.2-176.900113
1026N29.9Very low33.2Very low126 Ų126124.3 Ų124.367%0.67471%0.713SS**  cis-149.2177.317.9-147.6-6.4000113.2
1027T30.7Very low32.9Very low94 Ų94122.6 Ų122.658%0.57772%0.717SS**  trans-26.5160.2159.162.40000115.7
1028Q28.4Very low32.4Very low159 Ų159120.4 Ų120.474%0.74372%0.719SS**  176.9171.961.4-145.3168.398.400114.1
1029L33.6Very low32.2Very low143 Ų143121.3 Ų121.375%0.74973%0.731SS**  trans73.6102.9157.5-61.6174.2000120
1030V39.3Very low31.9Very low134 Ų134117.8 Ų117.881%0.81273%0.727SS**  trans-81.9134.4145.7173.80000109.6
1031P37.4Very low31.6Very low102 Ų102117.6 Ų117.666%0.66273%0.725SS**  trans-119.7130.5136.8-0.722.3000109.9
1032L28.8Very low31.4Very low150 Ų150116.4 Ų116.479%0.78572%0.717SS**  71.5146.777-80.4152.3000115
1033S28.9Very low31.5Very low112 Ų112119.6 Ų119.678%0.78372%0.721SS**  trans69.1142.9164.758.80000118.1
1034S29.3Very low31.1Very low97 Ų97118 Ų11868%0.67871%0.713SS**  cis-168.7-176.9-12.549.50000111.1
1035S29.5Very low30.7Very low90 Ų90120.3 Ų120.363%0.62972%0.72SS**  trans58.2103.8146.250.40000117.1
1036S28.9Very low30.5Very low106 Ų106121.8 Ų121.874%0.74172%0.716SS**  54.3127.686.778.80000113.4
1037S30.3Very low31Very low102 Ų102122.5 Ų122.571%0.71371%0.714SS**  -175.1145.357.748.70000113.5
1038S28.1Very low31.2Very low107 Ų107123.7 Ų123.775%0.74872%0.723SS**  trans35136.8135.369.70000122.7
1039A28.9Very low31.2Very low97 Ų97122 Ų12280%0.80272%0.718SS**  trans72.9157.815400000115.5
1040S27.9Very low30.9Very low108 Ų108121.6 Ų121.676%0.75572%0.717SS**  cis-154.21581.1-150.40000113.1
1041S28Very low30.5Very low87 Ų87122.2 Ų122.261%0.60871%0.714SS**  trans42.8114.4136.8172.90000120.8
1042S28.7Very low30.1Very low89 Ų89123.1 Ų123.162%0.62271%0.712SS**  trans69.5153.1137.2-46.30000117
1043H36.3Very low30.4Very low161 Ų161122.6 Ų122.675%0.74571%0.71SS**  cis-127.7159.120.4-78.6-92.9000110.6
1044H28.4Very low30.4Very low147 Ų147123.8 Ų123.868%0.68170%0.704SS**  42.1128.976.6-85.1-92000111.9
1045L33Very low30.4Very low152 Ų152124.9 Ų124.980%0.79670%0.702SS**  cis-139.3150.129.5-58.1159.2000108
1046R26.4Very low30.5Very low195 Ų195127.1 Ų127.174%0.73671%0.707SS**  cis61.390.514.6-164.6167.9-177.1170.52.4117.1
1047F40.9Very low30.7Very low141 Ų141125.5 Ų125.562%0.61871%0.707SS**  trans65.2142.8165-64.4-59.2000116.3L1049F1047-L1049 HydrophobicContact CB-CD1 3.86Å
1048P34.2Very low30.8Very low118 Ų118125.7 Ų125.777%0.76670%0.704SS**  -88.4141.890.8-25.437.9000113.4
1049L27.9Very low30.8Very low125 Ų125126.5 Ų126.565%0.65470%0.7SS**  cis62.5129.948.6-73.172.8000111.5F1047F1047-L1049 HydrophobicContact CB-CD1 3.86Å
1050D27.4Very low30.9Very low133 Ų133128.2 Ų128.271%0.71169%0.689SS**  cis-146.6174.4-18.2-83.6-45.8000104.4
1051I31.1Very low31Very low147 Ų147132.3 Ų132.375%0.75469%0.689SS**  -177.4137.167-77.5-178.7000105.9
1052L28.3Very low31Very low121 Ų121132.9 Ų132.963%0.63469%0.693SS**  trans8.8131.3138.7-50.8158.5000116Q1054L1052-Q1054 HydrophobicContact CD2-CG 4.1Å
1053D35.6Very low31.3Very low139 Ų139135.4 Ų135.474%0.74371%0.706SS**  -138.1139.854.3-104.1-18.9000110.3
1054Q28.8Very low31.1Very low138 Ų138130.9 Ų130.965%0.64570%0.702SS**  46.696.353-67.5-161.443.600113.9L1052L1052-Q1054 HydrophobicContact CD2-CG 4.1Å
1055N30.3Very low31.3Very low120 Ų120131.3 Ų131.364%0.64271%0.71SS**  179.2146.6107.4-95.5-68.3000112.9
1056N30.6Very low31.4Very low136 Ų136129.2 Ų129.273%0.72771%0.708SS**  trans29.6114.5143-47.1-34.2000118.5
1057G34.5Very low31.7Very low72 Ų72130 Ų13074%0.74271%0.711SS**  cis118-152.33.500000112.2
1058T30.7Very low31.4Very low106 Ų106129 Ų12965%0.6571%0.711SS**  trans52.6112.8163.551.80000119.6
1059N29.6Very low31.4Very low124 Ų124130.9 Ų130.966%0.66371%0.709SS**  72.7157128.7-60.4-27.5000118.9
1060K29.5Very low31.5Very low134 Ų134130.5 Ų130.558%0.58371%0.708SS**  cis-179.4175-20.9-100.9173.6-171.6173.20104.5
1061Y31.1Very low31.8Very low193 Ų193128 Ų12876%0.75770%0.7SS**  trans75.3122.4160.6-51-60.9000114.1
1062S27.4Very low31.9Very low99 Ų99128.6 Ų128.669%0.69270%0.7SS**  cis99.815740.7-174.50000111.4
1063T34.4Very low32.1Very low143 Ų143130.3 Ų130.388%0.87771%0.705SS**  trans69.3130.8-170.672.30000114.6
1064G33.8Very low31.9Very low65 Ų65131.6 Ų131.667%0.6771%0.706SS**  cis174.7168.6-10.100000114.4
1065N32Very low31.9Very low157 Ų157130.8 Ų130.884%0.8471%0.711SS**  trans7.4133154.5-42.1-19.8000116.3
1066S35.7Very low32Very low108 Ų108132.3 Ų132.376%0.75572%0.718SS**  -179.9173.156.3-42.40000108.8
1067R31.8Very low32.1Very low211 Ų211133.2 Ų133.280%0.79672%0.717SS**  cis-168.6151.57-138.4-178.8143.8-179.2-7.4108.7
1068L33.7Very low32.1Very low120 Ų120135.6 Ų135.663%0.62871%0.713SS**  trans67.1123.1157.1-60.2-179.2000117.9
1069H34.2Very low32.1Very low157 Ų157136.4 Ų136.473%0.72771%0.713SS**  76.6140.262.5-82.6-124000113.4
1070N31.5Very low32.1Very low118 Ų118136.6 Ų136.663%0.63171%0.714SS**  cis-170.7164.6-10.5-127.948.3000109.7
1071S32.7Very low32.2Very low79 Ų79137.1 Ų137.155%0.55272%0.723SS**  trans65157.9144.3-63.20000118.8
1072E33.2Very low32.2Very low161 Ų161133.1 Ų133.175%0.75272%0.724SS**  cis-156.9168.3-9.1-119.5142.1-128.500110.3
1073H32Very low32.4Very low157 Ų157132.8 Ų132.873%0.72772%0.721SS**  trans7.6156.8148.4-73-131.6000121.1
1074E33.1Very low32.2Very low165 Ų165132.4 Ų132.477%0.77171%0.714SS**  cis-158.2-179.221.6-144.8144.4-129.800114.2
1075T28.5Very low32Very low121 Ų121135.7 Ų135.774%0.74272%0.716SS**  trans-79.7164.9178.4390000114.9
1076I32Very low31.8Very low153 Ų153134.6 Ų134.679%0.78571%0.71SS**  172.8126.2127.2-88.8157.8000114.5
1077H33.5Very low31.7Very low155 Ų155137.4 Ų137.472%0.71871%0.711SS**  trans29.3132.7150.3-74.8-68.9000127.2
1078N32.7Very low31.6Very low122 Ų122132.1 Ų132.165%0.65270%0.699SS**  87.6116.8123.6-70.86.9000124.3
1079N31.1Very low31.4Very low122 Ų122133.3 Ų133.365%0.65271%0.705SS**  83.4111.2122.2-65.513000122.9
1080N30.5Very low31.2Very low129 Ų129131 Ų13169%0.6970%0.702SS**  93.8121.5124.7-64.46.5000121.7
1081N30.7Very low31.1Very low145 Ų145134.7 Ų134.778%0.77571%0.712SS**  trans78.194.9134.4-65.54.9000121.4
1082S31.3Very low31Very low109 Ų109135.1 Ų135.176%0.76272%0.715SS**  115.3143.6101.9-163.90000118.9
1083S31.9Very low31Very low91 Ų91134.4 Ų134.464%0.63672%0.715SS**  trans68.8107.7161.7-72.90000120.5
1084N29.6Very low31Very low135 Ų135136.4 Ų136.472%0.72272%0.718SS**  51.3106.6119.6-56.4-4.3000116.7
1085N30.2Very low31.3Very low135 Ų135133.5 Ų133.572%0.72271%0.713SS**  -167.5162.353.2-88.6-51.1000112.7
1086N28.1Very low31.4Very low133 Ų133137 Ų13771%0.71171%0.714SS**  trans43.3105152.6-58.9-18.5000118.1
1087H33.9Very low31.3Very low168 Ų168135.4 Ų135.478%0.77872%0.715SS**  -176.1133.6105.4-94.3-62.6000112.4
1088N28.3Very low31Very low100 Ų100133.7 Ų133.754%0.53571%0.711SS.*  trans39.4159.6136.1-66.73.2000123.4
1089L30.1Very low30.9Very low145 Ų145134 Ų13476%0.75972%0.723SS**  trans87.375.4153.2-72150.6000120.2
1090T29.5Very low30.7Very low108 Ų108135.4 Ų135.466%0.66373%0.726SS**  64.2159.3117.360.90000121.8
1091K31Very low30.8Very low196 Ų196134.2 Ų134.285%0.85273%0.733SS**  trans85.1147.3163.4-63.6172.3-177.6172.50115.6
1092S29.4Very low30.6Very low88 Ų88133 Ų13362%0.61573%0.727SS**  cis-173.4-169-20.2-171.40000107.9
1093I34.2Very low30.5Very low146 Ų146138.1 Ų138.175%0.74973%0.731SS**  trans82.5105.6166.2-51.4170.4000112.1
1094Y32.1Very low30.5Very low199 Ų199139.7 Ų139.778%0.7874%0.737SS**  71.4148.758.3-74.6-60000112.6
1095P38.3Very low30.3Very low104 Ų104138.4 Ų138.468%0.67574%0.738SS**  cis-153.3165.142.542.3-20.9000121.6
1096Y30.3Very low30.5Very low195 Ų195137.8 Ų137.877%0.76574%0.742SS**  trans72.5159.8146-86.1-140.8000117
1097C29.9Very low30.5Very low119 Ų119137.3 Ų137.380%0.80474%0.743SS**  cis-124.7154.817.3-126.70000114.9
1098N27.5Very low30.4Very low118 Ų118135 Ų13563%0.63175%0.747SS**  trans-91.5159.7176.9-87.8-60.7000112.4
1099S30.4Very low30.5Very low129 Ų129133.3 Ų133.390%0.90275%0.752SS**  trans-145.5134.3138.2-160.10000110.9
1100Q27.7Very low30.6Very low152 Ų152133.5 Ų133.571%0.7175%0.754SS**  trans-111.6151.9-167.5-62.6174.1-57.500112.6
1101A31.8Very low30.6Very low103 Ų103134 Ų13485%0.85175%0.752SS**  trans-144.2112.2153.600000109.9
1102N26.4Very low30.6Very low120 Ų120132.2 Ų132.264%0.64275%0.746SS**  trans-92.5173.8175.1-69.1-59.5000111.3
1103Y30.3Very low30.7Very low216 Ų216135.1 Ų135.185%0.84775%0.754SS**  trans145.587.4145.4-76.8-57.8000110.6
1104T30.7Very low30.5Very low125 Ų125135.4 Ų135.477%0.76775%0.752SS**  85.7126.185.652.50000116.2
1105S26.2Very low30.4Very low107 Ų107133.3 Ų133.375%0.74875%0.749SS**  trans-77.3167.2172-40.70000113.3
1106P34.1Very low30Very low122 Ų122132.4 Ų132.479%0.79275%0.751SS**  -135.516888.318.34.5000112.9
1107V28Very low30.1Very low123 Ų123131.8 Ų131.875%0.74575%0.754SS**  cis90.313125.7-178.80000115.3
1108S31.4Very low30Very low121 Ų121132.9 Ų132.985%0.84675%0.751SS**  trans88.7138178.8-37.60000116.4
1109G31.8Very low30.1Very low63 Ų63133.8 Ų133.865%0.64976%0.756SS**  cis154.4173.4-1100000114.2
1110N30.8Very low30.1Very low150 Ų150133.6 Ų133.680%0.80274%0.744SS**  trans73.1154.7151.6-60-11.3000118.5
1111L30.8Very low30.2Very low118 Ų118134.6 Ų134.662%0.61875%0.747SS**  cis-162.9148.4-7.4-141.569.4000113.5
1112H29.9Very low30.1Very low158 Ų158135.6 Ų135.673%0.73174%0.738SS**  trans52.6178.4149.2-65.7-10.9000119.8
1113L32.6Very low30.3Very low150 Ų150136.1 Ų136.179%0.78575%0.745SS**  cis-122.6158-3.9-76.780.7000108.8
1114H30.2Very low30.5Very low152 Ų152129.5 Ų129.570%0.70474%0.735SS**  cis96142.830.9-145.8-92.1000115.6
1115H30.3Very low30.6Very low155 Ų155129.7 Ų129.772%0.71874%0.737SS**  trans72.6130.5-169.5-60.2-88.2000115.8
1116A29.9Very low31Very low85 Ų85130.3 Ų130.370%0.70274%0.738SS**  cis85.211010.300000118.4
1117H32.2Very low31Very low181 Ų181129.1 Ų129.184%0.83874%0.738SS**  trans-157.5166.3146.4-133.4-97.3000113.7
1118L26.7Very low31.2Very low143 Ų143128.1 Ų128.175%0.74974%0.737SS**  trans-90.9179.1-175.2-69.2158.9000113.8
1119N30.5Very low31.3Very low137 Ų137128.6 Ų128.673%0.73374%0.735SS**  trans98.7147.2158.6-62.1-29.1000118.1
1120L29.7Very low31.2Very low124 Ų124129.7 Ų129.765%0.64974%0.737SS**  cis-173.5144.2-21.5-167.869.7000110
1121F30.2Very low31.5Very low174 Ų174128.7 Ų128.776%0.76374%0.739SS**  trans62.6161170.2-65.7-50.4000116.8
1122N30.1Very low31.6Very low124 Ų124126.5 Ų126.566%0.66374%0.738SS**  cis-154162.9-4.5-133.1-17.3000112.1
1123T31Very low31.5Very low130 Ų130125.2 Ų125.280%0.79874%0.742SS**  trans56.3141.3158.251.50000119.2
1124A33.5Very low31.3Very low77 Ų77124.8 Ų124.864%0.63674%0.739SS**  cis-156.2122-3.800000106.7
1125T32.8Very low31.2Very low130 Ų130121.6 Ų121.680%0.79874%0.739SS**  53140.985.465.30000116.3
1126P35.1Very low31.2Very low120 Ų120119.3 Ų119.378%0.77974%0.736SS**  cis-143.8-159.3-28.341.6-22.7000113
1127A33.1Very low31.4Very low96 Ų96121.3 Ų121.379%0.79374%0.739SS**  trans77.3132.4163.900000117.5
1128S33Very low31.5Very low102 Ų102117.2 Ų117.271%0.71374%0.737SS**  cis-158.5142.5-8.950.10000112.5
1129T32.8Very low31.8Very low131 Ų131115 Ų11580%0.80473%0.73SS**  trans51.7130.515752.30000120
1130A31Very low32Very low86 Ų86114.2 Ų114.271%0.71173%0.73SS**  cis41.5149.21.500000120.6
1131P36.7Very low31.9Very low130 Ų130116.1 Ų116.184%0.84474%0.738SS**  cis-94.3-145.2-18.824.2-2000108.2
1132A31.9Very low32.1Very low72 Ų72113.8 Ų113.860%0.59574%0.738SS**  cis-166.7148.417.100000107.5
1133T28.7Very low32.2Very low131 Ų131114.8 Ų114.880%0.80474%0.743SS**  cis51.1121.54.4-31.60000116.4
1134I27.3Very low32.2Very low140 Ų140115 Ų11572%0.71874%0.744SS**  trans71125.6-174.2-44.1173.6000108.8
1135A29.6Very low32.1Very low86 Ų86116 Ų11671%0.71175%0.746SS**  cis-137.3149.541.400000111.6
1136T30.3Very low31.9Very low107 Ų107114.5 Ų114.566%0.65674%0.741SS**  cis66.5125.939.5-45.40000112.8
1137T33.2Very low31.7Very low126 Ų126115.5 Ų115.577%0.77374%0.74SS**  trans134.8145.4149.554.70000109.7
1138A33.5Very low31.4Very low95 Ų95118.2 Ų118.279%0.78574%0.741SS**  cis-145.1166.911.400000109.7
1139T34.6Very low31.1Very low98 Ų98121.5 Ų121.560%0.60175%0.75SS**  cis154.8122-9.8-85.60000104.1
1140T33Very low30.8Very low120 Ų120122.8 Ų122.874%0.73675%0.75SS**  trans63160.6170.1680000116.7
1141M29.3Very low30.7Very low164 Ų164126.6 Ų126.681%0.80875%0.753SS**  cis-124.9179.84-38.3-148.9133.100109.3
1142T33.8Very low30.4Very low125 Ų125126.1 Ų126.177%0.76774%0.743SS**  cis-152.3159.921.447.30000113
1143N32.9Very low30.4Very low144 Ų144129.8 Ų129.877%0.7775%0.752SS**  trans-1.2126.5148.7-70.3-4.5000119.1
1144V30.7Very low30.4Very low136 Ų136128.7 Ų128.782%0.82474%0.742SS**  73.4125.478167.40000112
1145S30.7Very low30.5Very low98 Ų98130.4 Ų130.469%0.68575%0.753SS**  cis-155.9163.139.9-162.10000116.9
1146S28.7Very low30.6Very low97 Ų97131.9 Ų131.968%0.67875%0.745SS**  trans90.2126.6146-55.90000121.8
1147N30.1Very low30.4Very low142 Ų142135.8 Ų135.876%0.75975%0.753SS**  trans96.689.4153.2-58.4-10.7000121
1148N27.9Very low30.3Very low153 Ų153135.8 Ų135.882%0.81875%0.747SS**  trans78.9132.6131-65.4-9.3000123.6
1149L26.3Very low30Very low171 Ų171139.9 Ų139.990%0.89575%0.752SS**  trans75.283144.6-131.274.2000120.4
1150I25.9Very low29.7Very low157 Ų157145.5 Ų145.581%0.80576%0.763SS**  trans-139.4119.1154.7-58.1177.4000109.3
1151H28.7Very low29.5Very low166 Ų166147 Ų14777%0.76977%0.766SS**  trans-170.8142.5137.1-110.764.3000114
1152N31.1Very low29.6Very low121 Ų121147.6 Ų147.665%0.64777%0.772SS**  trans62.689.5157.2-66.8-4.8000121
1153N31.6Very low29.3Very low148 Ų148147.4 Ų147.479%0.79177%0.771SS**  68.269.2113.9-56.5-3000118
1154N29.5Very low29.2Very low108 Ų108148.9 Ų148.958%0.57878%0.778SS**  trans-51150.7139.5-72.8-33.2000111.9Q1156N1154-Q1156 HydrophobicContact CB-CB 4.17Å; N1154-Q1156 HydrophobicContact CB-CG 3.97Å; N1154-Q1156 VanDerWaalsContact CG-CD 3.48Å; N1154-Q1156 PolarHBondContact ND2-OE1 3.21Å; N1154-Q1156 VanDerWaalsContact ND2-OE1 3.17Å; N1154-Q1156 VanDerWaalsContact OD1-CD 3.24Å; N1154-Q1156 PolarHBondContact OD1-NE2 2.66Å; N1154-Q1156 PolarHBondContact OD1-OE1 3.22Å
1155N29.4Very low29.2Very low177 Ų177148.2 Ų148.295%0.94778%0.78SS**  trans-124.866.5137.1-106.5-16.2000107.6
1156Q31.6Very low29.4Very low116 Ų116152.4 Ų152.454%0.54279%0.789SS.*  trans-89.1118.8174.8-70.9177.5-2100108.4N1154 L1158N1154-Q1156 HydrophobicContact CB-CB 4.17Å; N1154-Q1156 HydrophobicContact CB-CG 3.97Å; N1154-Q1156 VanDerWaalsContact CG-CD 3.48Å; N1154-Q1156 PolarHBondContact ND2-OE1 3.21Å; N1154-Q1156 VanDerWaalsContact ND2-OE1 3.17Å; N1154-Q1156 VanDerWaalsContact OD1-CD 3.24Å; N1154-Q1156 PolarHBondContact OD1-NE2 2.66Å; N1154-Q1156 PolarHBondContact OD1-OE1 3.22Å; Q1156-L1158 HydrophobicContact CB-CD1 4.35Å; Q1156-L1158 HydrophobicContact CB-CG 4.19Å; Q1156-L1158 PolarHBondContact O-N 2.97Å
1157F26.3Very low29.5Very low190 Ų190156.9 Ų156.983%0.83380%0.799SS**  trans-79.473165.5-108-87.4000109.9
1158L31.1Very low29.6Very low125 Ų125160.1 Ų160.165%0.65481%0.806SS**  trans-89.797.2168.5-77.4173.3000109Q1156 R1160Q1156-L1158 HydrophobicContact CB-CD1 4.35Å; Q1156-L1158 HydrophobicContact CB-CG 4.19Å; Q1156-L1158 PolarHBondContact O-N 2.97Å; L1158-R1160 PolarHBondContact O-N 2.94Å
1159M26.4Very low29.8Very low181 Ų181157.9 Ų157.989%0.89280%0.795SS**  trans-8072.6169.1-161-168.9-5800109.7
1160R29.3Very low30.5Very low217 Ų217155.9 Ų155.982%0.81978%0.78SS**  trans-151.477178.9-172.8178.2179.8156.81.5110.4L1158L1158-R1160 PolarHBondContact O-N 2.94Å
1161D29Very low31.3Very low152 Ų152158 Ų15881%0.81378%0.778SS**  trans-168.877.1154.3-91.3-23.6000109
1162L29.7Very low31.5Very low175 Ų175157.4 Ų157.492%0.91677%0.774SS**  trans-135.558.2167.5-80.2179.7000109.8
1163T28.7Very low31.8Very low122 Ų122157.1 Ų157.175%0.74877%0.771SS**  trans-136.474.9170.552.90000109.3
1164D30Very low32.3Very low174 Ų174154.1 Ų154.193%0.9376%0.762SS**  trans-175.266.4154.5-96.7-17.6000111.5
1165S31.8Very low33Very low123 Ų123154.6 Ų154.686%0.8677%0.769SS**  trans-152.9153.4152.1-164.30000109.7
1166Q33.9Very low33.2Very low185 Ų185150.6 Ų150.686%0.86475%0.746SS**  trans-86.7165.1-170.2-66-179.2-23.100112.7
1167Q32.2Very low33.6Very low191 Ų191149.8 Ų149.889%0.89375%0.749SS**  trans74.467162.1-158.4168.75700117.1
1168F31.9Very low34.4Very low210 Ų210144.9 Ų144.992%0.92174%0.739SS**  trans-130.4144.7156-113.9-94.3000110.7H1170F1168-H1170 PolarHBondContact O-N 3.47Å
1169D31.9Very low35.1Very low107 Ų107140.9 Ų140.957%0.57273%0.727SS**  trans-80.4119-172.2-174.5-3.6000112.9R1171 F1172D1169-R1171 PolarHBondContact O-N 2.85Å; D1169-R1171 WeakPolarHBondContact OD1-CB 3.41Å; D1169-R1171 PolarHBondContact OD1-N 2.96Å; D1169-F1172 PolarHBondContact O-N 3.4Å
1170H41.2Very low36.1Very low128 Ų128137.5 Ų137.559%0.59371%0.709SS**Hα-helixtrans-60-22.5176.8-97-80.4000114.4F1168 F1172 S1174F1168-H1170 PolarHBondContact O-N 3.47Å; H1170-F1172 VanDerWaalsContact C-N 3.31Å; H1170-F1172 PolarHBondContact O-N 2.76Å; H1170-S1174 PolarHBondContact O-N 3.39Å
1171R41.4Very low37.1Very low202 Ų202133.2 Ų133.276%0.76270%0.702SS**Hα-helixtrans-67.2-28.2179.1-78.7-178.1141.6-109-3.9113.6D1169 T1175D1169-R1171 PolarHBondContact O-N 2.85Å; D1169-R1171 WeakPolarHBondContact OD1-CB 3.41Å; D1169-R1171 PolarHBondContact OD1-N 2.96Å; R1171-T1175 PolarHBondContact O-OG1 2.8Å; R1171-T1175 VanDerWaalsContact O-OG1 3.06Å
1172F33Very low38.2Very low154 Ų154129 Ų12968%0.67568%0.682SS**Hα-helixtrans-70.6-47.9-177.6-165.6-102.9000111.8D1169 H1170 S1174 T1175D1169-F1172 PolarHBondContact O-N 3.4Å; H1170-F1172 VanDerWaalsContact C-N 3.31Å; H1170-F1172 PolarHBondContact O-N 2.76Å; F1172-S1174 VanDerWaalsContact C-N 3.33Å; F1172-S1174 PolarHBondContact O-N 3.21Å; F1172-T1175 WeakPolarHBondContact O-CB 3.42Å; F1172-T1175 PolarHBondContact O-N 2.92Å; F1172-T1175 VanDerWaalsContact O-N 3.08Å
1173L37.9Very low39.5Very low114 Ų114125 Ų12560%0.59766%0.661SS**Hα-helixtrans-65.7-33.6179.6-76.4168.1000112.9T1175 M1176L1173-T1175 PolarHBondContact O-N 2.86Å; L1173-T1175 VanDerWaalsContact O-N 3.08Å; L1173-M1176 PolarHBondContact O-N 3.25Å; L1173-M1176 VanDerWaalsContact O-N 3.14Å
1174S41.9Very low41Very low86 Ų86122.9 Ų122.960%0.60165%0.648SS**THydrogen-bonded Turntrans-67-5.4174.8-162.50000114H1170 F1172 T1177H1170-S1174 PolarHBondContact O-N 3.39Å; F1172-S1174 VanDerWaalsContact C-N 3.33Å; F1172-S1174 PolarHBondContact O-N 3.21Å; S1174-T1177 PolarHBondContact O-OG1 3.11Å
1175T44.1Very low42.6Very low117 Ų117121.3 Ų121.372%0.71864%0.635SS**THydrogen-bonded Turntrans-98.4-9.6176.5-49.50000112.4R1171 F1172 L1173 T1177R1171-T1175 PolarHBondContact O-OG1 2.8Å; R1171-T1175 VanDerWaalsContact O-OG1 3.06Å; F1172-T1175 WeakPolarHBondContact O-CB 3.42Å; F1172-T1175 PolarHBondContact O-N 2.92Å; F1172-T1175 VanDerWaalsContact O-N 3.08Å; L1173-T1175 PolarHBondContact O-N 2.86Å; L1173-T1175 VanDerWaalsContact O-N 3.08Å; T1175-T1177 VanDerWaalsContact C-N 3.3Å; T1175-T1177 PolarHBondContact O-N 2.86Å
1176M33.4Very low44.1Very low93 Ų93120.6 Ų120.646%0.45862%0.618SS.*  trans-89.816.8177.9-65-161.176.700114.2L1173 S1178L1173-M1176 PolarHBondContact O-N 3.25Å; L1173-M1176 VanDerWaalsContact O-N 3.14Å; M1176-S1178 VanDerWaalsContact C-N 3.34Å; M1176-S1178 PolarHBondContact O-N 2.84Å
1177T40Very low45.5Very low99 Ų99114.1 Ų114.161%0.60760%0.596SS**THydrogen-bonded Turntrans-81.268.4-171.953.20000113.8S1174 T1175S1174-T1177 PolarHBondContact O-OG1 3.11Å; T1175-T1177 VanDerWaalsContact C-N 3.3Å; T1175-T1177 PolarHBondContact O-N 2.86Å
1178S42.8Very low47.1Very low88 Ų88110.7 Ų110.762%0.61558%0.583SS**THydrogen-bonded Turntrans-168.3-48.6154.1-79.40000109.7M1176 Q1180 L1181 T1182M1176-S1178 VanDerWaalsContact C-N 3.34Å; M1176-S1178 PolarHBondContact O-N 2.84Å; S1178-Q1180 PolarHBondContact O-N 3.09Å; S1178-L1181 PolarHBondContact O-N 3.36Å; S1178-T1182 PolarHBondContact O-N 3.25Å; S1178-T1182 PolarHBondContact O-OG1 2.79Å
1179G46.4Very low48.8Very low40 Ų40104.9 Ų104.941%0.41256%0.559SS.*Hα-helixtrans-61.4-44.4-174.800000113.9T1182 L1183G1179-T1182 WeakPolarHBondContact CA-OG1 3.22Å; G1179-T1182 PolarHBondContact O-N 3.35Å; G1179-T1182 PolarHBondContact O-OG1 2.97Å; G1179-L1183 PolarHBondContact O-N 3.3Å
1180Q48.4Very low50.4Low110 Ų110105.7 Ų105.751%0.51456%0.563SS.*Hα-helixtrans-69.6-35.5178.8-74.7-165.9-6.400113S1178 L1183 T1184S1178-Q1180 PolarHBondContact O-N 3.09Å; Q1180-L1183 WeakPolarHBondContact O-CB 3.32Å; Q1180-L1183 PolarHBondContact O-N 3.04Å; Q1180-L1183 VanDerWaalsContact O-N 3.15Å; Q1180-T1184 PolarHBondContact O-N 2.76Å; Q1180-T1184 PolarHBondContact O-OG1 3.21Å
1181L49.5Very low51.3Low127 Ų127103.4 Ų103.467%0.66556%0.56SS**Hα-helixtrans-61.4-46.5172.9-94.1161.9000111S1178 L1183 T1184 E1185S1178-L1181 PolarHBondContact O-N 3.36Å; L1181-L1183 VanDerWaalsContact C-N 3.26Å; L1181-L1183 PolarHBondContact O-N 3.18Å; L1181-T1184 WeakPolarHBondContact CA-OG1 3.38Å; L1181-T1184 PolarHBondContact O-N 3.02Å; L1181-T1184 PolarHBondContact O-OG1 3.26Å; L1181-E1185 WeakPolarHBondContact O-CB 3.41Å; L1181-E1185 PolarHBondContact O-N 2.96Å
1182T52.5Low52.5Low64 Ų6497.4 Ų97.439%0.39355%0.549SS..Hα-helixtrans-64.6-28.3174.453.70000113.4S1178 G1179 Q1186S1178-T1182 PolarHBondContact O-N 3.25Å; S1178-T1182 PolarHBondContact O-OG1 2.79Å; G1179-T1182 WeakPolarHBondContact CA-OG1 3.22Å; G1179-T1182 PolarHBondContact O-N 3.35Å; G1179-T1182 PolarHBondContact O-OG1 2.97Å; T1182-Q1186 VanDerWaalsContact O-CB 3.25Å; T1182-Q1186 WeakPolarHBondContact O-CB 3.33Å; T1182-Q1186 WeakPolarHBondContact O-CG 3.41Å; T1182-Q1186 PolarHBondContact O-N 3Å
1183L57.7Low54Low91 Ų9193.1 Ų93.148%0.47654%0.538SS..Hα-helixtrans-73-40.5173.5-89.1163.5000112.2G1179 Q1180 L1181 A1187G1179-L1183 PolarHBondContact O-N 3.3Å; Q1180-L1183 WeakPolarHBondContact O-CB 3.32Å; Q1180-L1183 PolarHBondContact O-N 3.04Å; Q1180-L1183 VanDerWaalsContact O-N 3.15Å; L1181-L1183 VanDerWaalsContact C-N 3.26Å; L1181-L1183 PolarHBondContact O-N 3.18Å; L1183-A1187 VanDerWaalsContact O-CB 3.23Å; L1183-A1187 WeakPolarHBondContact O-CB 3.41Å; L1183-A1187 PolarHBondContact O-N 3.46Å
1184T59.1Low55.2Low78 Ų7892.6 Ų92.648%0.47954%0.535SS..Hα-helixtrans-69.8-35.6173.9470000112.3Q1180 L1181 A1187 L1188Q1180-T1184 PolarHBondContact O-N 2.76Å; Q1180-T1184 PolarHBondContact O-OG1 3.21Å; L1181-T1184 WeakPolarHBondContact CA-OG1 3.38Å; L1181-T1184 PolarHBondContact O-N 3.02Å; L1181-T1184 PolarHBondContact O-OG1 3.26Å; T1184-A1187 PolarHBondContact O-N 2.98Å; T1184-L1188 WeakPolarHBondContact O-CB 3.36Å; T1184-L1188 WeakPolarHBondContact O-CG 3.3Å; T1184-L1188 PolarHBondContact O-N 2.95Å
1185E64.8Low55.9Low140 Ų14091.3 Ų91.365%0.65453%0.53SS*.Hα-helixtrans-67-44.2174.6-167.9174.1-143.600110.6L1181 A1187 L1188 E1189L1181-E1185 WeakPolarHBondContact O-CB 3.41Å; L1181-E1185 PolarHBondContact O-N 2.96Å; E1185-A1187 PolarHBondContact O-N 3.41Å; E1185-L1188 PolarHBondContact O-N 3.26Å; E1185-E1189 VanDerWaalsContact O-CB 3.28Å; E1185-E1189 WeakPolarHBondContact O-CB 3.47Å; E1185-E1189 PolarHBondContact O-N 3.26Å
1186Q61.5Low56.4Low109 Ų10988.2 Ų88.251%0.50952%0.516SS..Hα-helixtrans-64.9-36171.6-75170.228.200112.9T1182 E1189 L1190T1182-Q1186 VanDerWaalsContact O-CB 3.25Å; T1182-Q1186 WeakPolarHBondContact O-CB 3.33Å; T1182-Q1186 WeakPolarHBondContact O-CG 3.41Å; T1182-Q1186 PolarHBondContact O-N 3Å; Q1186-E1189 PolarHBondContact O-N 2.91Å; Q1186-L1190 VanDerWaalsContact O-CB 3.31Å; Q1186-L1190 WeakPolarHBondContact O-CB 3.47Å; Q1186-L1190 VanDerWaalsContact O-CG 3.29Å; Q1186-L1190 WeakPolarHBondContact O-CG 3.42Å; Q1186-L1190 PolarHBondContact O-N 3.5Å
1187A64Low57.2Low48 Ų4885.3 Ų85.340%0.39751%0.507SS..Hα-helixtrans-68.6-39.9175.700000111.9L1183 T1184 E1185 L1190 C1191L1183-A1187 VanDerWaalsContact O-CB 3.23Å; L1183-A1187 WeakPolarHBondContact O-CB 3.41Å; L1183-A1187 PolarHBondContact O-N 3.46Å; T1184-A1187 PolarHBondContact O-N 2.98Å; E1185-A1187 PolarHBondContact O-N 3.41Å; A1187-L1190 PolarHBondContact O-N 3.16Å; A1187-C1191 WeakPolarHBondContact O-CB 3.49Å; A1187-C1191 PolarHBondContact O-N 3.33Å; A1187-C1191 PolarHBondContact O-SG 3.22Å
1188L66.4Low57.6Low119 Ų11983.7 Ų83.762%0.62350%0.495SS*.Hα-helixtrans-68.1-36.9172.3-77168.9000111.9T1184 E1185 C1191 S1192T1184-L1188 WeakPolarHBondContact O-CB 3.36Å; T1184-L1188 WeakPolarHBondContact O-CG 3.3Å; T1184-L1188 PolarHBondContact O-N 2.95Å; E1185-L1188 PolarHBondContact O-N 3.26Å; L1188-C1191 PolarHBondContact O-N 2.72Å; L1188-S1192 VanDerWaalsContact O-CB 3.27Å; L1188-S1192 WeakPolarHBondContact O-CB 3.35Å; L1188-S1192 PolarHBondContact O-N 2.97Å; L1188-S1192 PolarHBondContact O-OG 3.12Å
1189E66.2Low57.7Low88 Ų8882.3 Ų82.341%0.41149%0.488SS..Hα-helixtrans-67.9-39.5174.8-167.6179.4-127.400111.5K721 E1185 Q1186 S1192 S1193K721-E1189 IonicContact NZ-OE1 3.29Å; K721-E1189 PolarHBondContact NZ-OE1 3.47Å; K721-E1189 IonicContact NZ-OE2 2.79Å; K721-E1189 PolarHBondContact NZ-OE2 3.15Å; E1185-E1189 VanDerWaalsContact O-CB 3.28Å; E1185-E1189 WeakPolarHBondContact O-CB 3.47Å; E1185-E1189 PolarHBondContact O-N 3.26Å; Q1186-E1189 PolarHBondContact O-N 2.91Å; E1189-S1192 PolarHBondContact O-N 3.38Å; E1189-S1193 VanDerWaalsContact O-CB 3.23Å; E1189-S1193 WeakPolarHBondContact O-CB 3.37Å; E1189-S1193 PolarHBondContact O-N 2.86Å; E1189-S1193 PolarHBondContact O-OG 3.34Å
1190L66.1Low57.6Low125 Ų12585 Ų8565%0.65449%0.492SS*.Hα-helixtrans-65-43.9170.9-79.1167.9000111.6Q1186 A1187 S1192 S1193 L1194Q1186-L1190 VanDerWaalsContact O-CB 3.31Å; Q1186-L1190 WeakPolarHBondContact O-CB 3.47Å; Q1186-L1190 VanDerWaalsContact O-CG 3.29Å; Q1186-L1190 WeakPolarHBondContact O-CG 3.42Å; Q1186-L1190 PolarHBondContact O-N 3.5Å; A1187-L1190 PolarHBondContact O-N 3.16Å; L1190-S1192 VanDerWaalsContact C-N 3.33Å; L1190-S1192 PolarHBondContact O-N 2.94Å; L1190-S1193 PolarHBondContact O-N 3.33Å; L1190-L1194 WeakPolarHBondContact O-CB 3.31Å; L1190-L1194 PolarHBondContact O-N 3.22Å
1191C61.3Low57.2Low79 Ų7981.1 Ų81.153%0.53448%0.477SS..Hα-helixtrans-63.6-39.2175.4-70.60000111.7A1187 L1188 L1194 A1195A1187-C1191 WeakPolarHBondContact O-CB 3.49Å; A1187-C1191 PolarHBondContact O-N 3.33Å; A1187-C1191 PolarHBondContact O-SG 3.22Å; L1188-C1191 PolarHBondContact O-N 2.72Å; C1191-L1194 PolarHBondContact O-N 3.25Å; C1191-A1195 WeakPolarHBondContact O-CB 3.3Å; C1191-A1195 PolarHBondContact O-N 3.43Å
1192S65.5Low56.7Low76 Ų7681.7 Ų81.753%0.53147%0.474SS..Hα-helixtrans-70-40.1176.8-57.80000111.6L1188 E1189 L1190 A1195 A1196L1188-S1192 VanDerWaalsContact O-CB 3.27Å; L1188-S1192 WeakPolarHBondContact O-CB 3.35Å; L1188-S1192 PolarHBondContact O-N 2.97Å; L1188-S1192 PolarHBondContact O-OG 3.12Å; E1189-S1192 PolarHBondContact O-N 3.38Å; L1190-S1192 VanDerWaalsContact C-N 3.33Å; L1190-S1192 PolarHBondContact O-N 2.94Å; S1192-A1195 PolarHBondContact O-N 2.89Å; S1192-A1196 VanDerWaalsContact O-CB 3.28Å; S1192-A1196 WeakPolarHBondContact O-CB 2.9Å; S1192-A1196 PolarHBondContact O-N 3.44Å
1193S65.2Low56Low64 Ų6484.3 Ų84.345%0.44849%0.486SS..Hα-helixtrans-66.4-39.4174.7-58.50000111.6E1189 L1190 A1197E1189-S1193 VanDerWaalsContact O-CB 3.23Å; E1189-S1193 WeakPolarHBondContact O-CB 3.37Å; E1189-S1193 PolarHBondContact O-N 2.86Å; E1189-S1193 PolarHBondContact O-OG 3.34Å; L1190-S1193 PolarHBondContact O-N 3.33Å; S1193-A1197 WeakPolarHBondContact O-CB 3.19Å; S1193-A1197 PolarHBondContact O-N 3.16Å
1194L62.8Low55.2Low104 Ų10486 Ų8655%0.54550%0.496SS..Hα-helixtrans-71.1-36.9175-175.960.9000111.7L1190 C1191 N1198L1190-L1194 WeakPolarHBondContact O-CB 3.31Å; L1190-L1194 PolarHBondContact O-N 3.22Å; C1191-L1194 PolarHBondContact O-N 3.25Å; L1194-N1198 WeakPolarHBondContact O-CB 3.42Å; L1194-N1198 PolarHBondContact O-N 2.92Å; L1194-N1198 PolarHBondContact O-ND2 3.27Å
1195A56.4Low54.1Low58 Ų5887 Ų8748%0.47950%0.498SS..Hα-helixtrans-67.2-43.1173.400000111.6C1191 S1192 N1198 A1199C1191-A1195 WeakPolarHBondContact O-CB 3.3Å; C1191-A1195 PolarHBondContact O-N 3.43Å; S1192-A1195 PolarHBondContact O-N 2.89Å; A1195-N1198 PolarHBondContact O-N 3.5Å; A1195-A1199 WeakPolarHBondContact O-CB 3.41Å; A1195-A1199 PolarHBondContact O-N 3.32Å
1196A54.7Low52.6Low52 Ų5284.9 Ų84.943%0.4349%0.491SS..Hα-helixtrans-64.2-45.3173.700000111.5S1192 N1198 A1199 I1200S1192-A1196 VanDerWaalsContact O-CB 3.28Å; S1192-A1196 WeakPolarHBondContact O-CB 2.9Å; S1192-A1196 PolarHBondContact O-N 3.44Å; A1196-N1198 VanDerWaalsContact C-N 3.32Å; A1196-N1198 PolarHBondContact O-N 2.85Å; A1196-A1199 PolarHBondContact O-N 3.42Å; A1196-I1200 VanDerWaalsContact O-CG1 3.29Å; A1196-I1200 WeakPolarHBondContact O-CG1 3.4Å; A1196-I1200 PolarHBondContact O-N 3.08Å
1197A50.2Low51.2Low32 Ų3287 Ų8726%0.26451%0.506SS..Hα-helixtrans-60.3-41.5173.200000111.5R334 S1193 I1200 S1201R334-A1197 VanDerWaalsContact CZ-O 3.26Å; R334-A1197 PolarHBondContact NH1-O 2.98Å; R334-A1197 PolarHBondContact NH2-O 3.18Å; S1193-A1197 WeakPolarHBondContact O-CB 3.19Å; S1193-A1197 PolarHBondContact O-N 3.16Å; A1197-I1200 PolarHBondContact O-N 3.28Å; A1197-S1201 PolarHBondContact O-N 2.9Å
1198N48.3Very low49.5Very low66 Ų6692.7 Ų92.735%0.35353%0.528SS..Hα-helixtrans-69.2-39.7177-72.7-14.2000111.7L1194 A1195 A1196 I1200 S1201 F1202L1194-N1198 WeakPolarHBondContact O-CB 3.42Å; L1194-N1198 PolarHBondContact O-N 2.92Å; L1194-N1198 PolarHBondContact O-ND2 3.27Å; A1195-N1198 PolarHBondContact O-N 3.5Å; A1196-N1198 VanDerWaalsContact C-N 3.32Å; A1196-N1198 PolarHBondContact O-N 2.85Å; N1198-I1200 PolarHBondContact O-N 3.45Å; N1198-S1201 CarbonylContact O-C 3.4Å; N1198-S1201 WeakPolarHBondContact O-CA 3.45Å; N1198-S1201 VanDerWaalsContact O-CB 3.23Å; N1198-S1201 WeakPolarHBondContact O-CB 3.3Å; N1198-S1201 PolarHBondContact O-N 3.33Å; N1198-F1202 HydrophobicContact CB-CD2 4.47Å; N1198-F1202 HydrophobicContact CB-CE2 4.35Å; N1198-F1202 WeakPolarHBondContact O-CD2 3.46Å; N1198-F1202 PolarHBondContact O-N 2.96Å
1199A44.7Very low47.8Very low58 Ų5892.6 Ų92.648%0.47953%0.527SS..Hα-helixtrans-59.5-44.117300000111.9A1195 A1196 S1201 F1202 N1203A1195-A1199 WeakPolarHBondContact O-CB 3.41Å; A1195-A1199 PolarHBondContact O-N 3.32Å; A1196-A1199 PolarHBondContact O-N 3.42Å; A1199-S1201 PolarHBondContact O-N 3.23Å; A1199-F1202 PolarHBondContact O-N 2.93Å; A1199-N1203 PolarHBondContact O-N 3.1Å
1200I44.2Very low45.9Very low98 Ų9896 Ų9650%0.50354%0.542SS..Hα-helixtrans-62.5-33.3171.9-66.1163.9000111.1A1196 A1197 N1198 N1204A1196-I1200 VanDerWaalsContact O-CG1 3.29Å; A1196-I1200 WeakPolarHBondContact O-CG1 3.4Å; A1196-I1200 PolarHBondContact O-N 3.08Å; A1197-I1200 PolarHBondContact O-N 3.28Å; N1198-I1200 PolarHBondContact O-N 3.45Å; I1200-N1204 WeakPolarHBondContact O-CB 3.42Å; I1200-N1204 VanDerWaalsContact O-CG 3.3Å; I1200-N1204 PolarHBondContact O-N 2.81Å; I1200-N1204 VanDerWaalsContact O-N 3.12Å; I1200-N1204 PolarHBondContact O-OD1 2.87Å
1201S40.4Very low44Very low28 Ų2896.9 Ų96.920%0.19655%0.547CS..Hα-helixtrans-70.3-37.7175.3-137.40000112.9R334 A1197 N1198 A1199 N1205R334-S1201 VanDerWaalsContact NH2-CB 3.31Å; R334-S1201 PolarHBondContact NH2-OG 2.79Å; A1197-S1201 PolarHBondContact O-N 2.9Å; N1198-S1201 CarbonylContact O-C 3.4Å; N1198-S1201 WeakPolarHBondContact O-CA 3.45Å; N1198-S1201 VanDerWaalsContact O-CB 3.23Å; N1198-S1201 WeakPolarHBondContact O-CB 3.3Å; N1198-S1201 PolarHBondContact O-N 3.33Å; A1199-S1201 PolarHBondContact O-N 3.23Å; S1201-N1205 WeakPolarHBondContact O-CB 3.47Å; S1201-N1205 VanDerWaalsContact O-CG 3.29Å; S1201-N1205 PolarHBondContact O-N 3.49Å
1202F38.6Very low42.3Very low138 Ų13898.7 Ų98.761%0.60556%0.556SS**Hα-helixtrans-76.6-35.2178.3-74.8-64.5000111.9N1198 A1199 N1205 N1206N1198-F1202 HydrophobicContact CB-CD2 4.47Å; N1198-F1202 HydrophobicContact CB-CE2 4.35Å; N1198-F1202 WeakPolarHBondContact O-CD2 3.46Å; N1198-F1202 PolarHBondContact O-N 2.96Å; A1199-F1202 PolarHBondContact O-N 2.93Å; F1202-N1205 PolarHBondContact O-N 3.33Å; F1202-N1206 VanDerWaalsContact O-CG 3.3Å; F1202-N1206 PolarHBondContact O-ND2 3.48Å; F1202-N1206 VanDerWaalsContact O-ND2 3.16Å
1203N38.8Very low40.6Very low120 Ų12099.4 Ų99.464%0.64256%0.561SS**Hα-helixtrans-63.3-46.9171-106.311.7000111.8A1199 N1205 N1206A1199-N1203 PolarHBondContact O-N 3.1Å; N1203-N1205 PolarHBondContact O-N 3.12Å; N1203-N1206 PolarHBondContact O-N 3.33Å
1204N39.1Very low38.9Very low127 Ų127105.8 Ų105.868%0.67958%0.584SS**Hα-helixtrans-71.2-11.7-177.2-70.810.4000114I1200I1200-N1204 WeakPolarHBondContact O-CB 3.42Å; I1200-N1204 VanDerWaalsContact O-CG 3.3Å; I1200-N1204 PolarHBondContact O-N 2.81Å; I1200-N1204 VanDerWaalsContact O-N 3.12Å; I1200-N1204 PolarHBondContact O-OD1 2.87Å
1205N37.3Very low37.3Very low98 Ų98110 Ų11052%0.52460%0.598SS.*THydrogen-bonded Turntrans-100.1-2.7177.5-74.9-2.8000114.1S1201 F1202 N1203S1201-N1205 WeakPolarHBondContact O-CB 3.47Å; S1201-N1205 VanDerWaalsContact O-CG 3.29Å; S1201-N1205 PolarHBondContact O-N 3.49Å; F1202-N1205 PolarHBondContact O-N 3.33Å; N1203-N1205 PolarHBondContact O-N 3.12Å
1206N33.2Very low36Very low96 Ų96112.3 Ų112.351%0.51361%0.608SS.*SBendtrans-99-6.2-175.3-79.4-21.5000115.1F1202 N1203F1202-N1206 VanDerWaalsContact O-CG 3.3Å; F1202-N1206 PolarHBondContact O-ND2 3.48Å; F1202-N1206 VanDerWaalsContact O-ND2 3.16Å; N1203-N1206 PolarHBondContact O-N 3.33Å
1207N31.7Very low34.8Very low153 Ų153116 Ų11682%0.81862%0.62SS**SBendtrans-96.228-179.5-79.8-5.6000114.6
1208I29.1Very low33.9Very low167 Ų167122.8 Ų122.886%0.85665%0.646SS**  trans-131.369.6159.7-49.1-178.9000109.1
1209I29.5Very low33Very low117 Ų117123.7 Ų123.760%0.666%0.658SS**  trans-119.2111.7162.6-56.2-175.8000108.4L1211I1209-L1211 VanDerWaalsContact C-N 3.28Å; I1209-L1211 HydrophobicContact CG2-CD2 4.05Å; I1209-L1211 HydrophobicContact CG2-CG 3.94Å; I1209-L1211 PolarHBondContact O-N 2.88Å
1210H26.3Very low32.2Very low159 Ų159129.7 Ų129.774%0.73668%0.676SS**  trans-73.976.6178.2-176.9-86.5000110.5T1212H1210-T1212 VanDerWaalsContact C-N 3.25Å; H1210-T1212 WeakPolarHBondContact CE1-CG2 3.27Å; H1210-T1212 PolarHBondContact O-N 2.77Å
1211L27.4Very low31.7Very low144 Ų144128.5 Ų128.575%0.75468%0.68SS**  trans-75.271.3178.8-75.3178.7000112.5I1209 S1213I1209-L1211 VanDerWaalsContact C-N 3.28Å; I1209-L1211 HydrophobicContact CG2-CD2 4.05Å; I1209-L1211 HydrophobicContact CG2-CG 3.94Å; I1209-L1211 PolarHBondContact O-N 2.88Å; L1211-S1213 PolarHBondContact O-N 2.76Å
1212T25.8Very low31Very low118 Ų118134.8 Ų134.872%0.72471%0.712SS**  trans-63.4100.7154.8410000108.9H1210H1210-T1212 VanDerWaalsContact C-N 3.25Å; H1210-T1212 WeakPolarHBondContact CE1-CG2 3.27Å; H1210-T1212 PolarHBondContact O-N 2.77Å
1213S29Very low30.7Very low91 Ų91134.1 Ų134.164%0.63672%0.724SS**  trans-136.348.9-175.4178.80000111.9L1211 K1215L1211-S1213 PolarHBondContact O-N 2.76Å; S1213-K1215 PolarHBondContact O-N 3.13Å
1214E28.4Very low30.1Very low197 Ų197136.1 Ų136.192%0.92173%0.729SS**  trans-66.1113165.7-68.2-166137.600109.9
1215K30.8Very low29.7Very low193 Ų193138.4 Ų138.484%0.83974%0.74SS**  trans-86137.5164.4-86-178.4176173.60109.1S1213S1213-K1215 PolarHBondContact O-N 3.13Å
1216P28.9Very low29.3Very low107 Ų107141 Ų14170%0.69575%0.746SS**  trans-92165-166.737-38.8000114.5
1217N30.1Very low28.9Very low129 Ų129143.5 Ų143.569%0.6976%0.759SS**  trans89.1123151-61-30.4000121
1218H30.6Very low28.7Very low175 Ų175140.5 Ų140.581%0.8175%0.75SS**  trans66.1138.6147.7-61-45.5000118.9
1219S28.7Very low28.7Very low85 Ų85140.3 Ų140.359%0.59475%0.746SS**  cis-178.8158.5-4.748.90000110.1
1220H28.8Very low28.7Very low184 Ų184142 Ų14285%0.85275%0.751SS**  trans66.2146.6167.2-66.7-73.7000117.1
1221A32.3Very low29.1Very low73 Ų73140.7 Ų140.760%0.60375%0.748SS**  cis-160.2153-17.400000111.9
1222N26.2Very low29.1Very low160 Ų160139.5 Ų139.586%0.85674%0.743SS**  trans24121.5147.6-50.70.1000120.7
1223S33.1Very low29.5Very low123 Ų123141.3 Ų141.386%0.8674%0.743SS**  -163.2128.8114.656.80000111.9
1224E26.2Very low29.4Very low162 Ų162141.5 Ų141.576%0.75775%0.745SS**  trans-83.2151.5175.5-56.7164.489.100112.5
1225I31.2Very low29.6Very low176 Ų176138 Ų13890%0.90374%0.737SS**  trans-167.2122.2139.5-86.1134000105.1
1226K28Very low29.7Very low151 Ų151134.7 Ų134.766%0.65773%0.728SS**  cis116.491.50.2-165.9176.2-178.5166.30114.8
1227L26Very low29.6Very low149 Ų149135.4 Ų135.478%0.7873%0.725SS**  trans65.4170.5157-53171.2000115.1
1228S27.2Very low29.5Very low91 Ų91135.5 Ų135.564%0.63673%0.725SS**  cis-157.8150.210.9-22.60000111.7
1229H27.7Very low29.3Very low163 Ų163133.3 Ų133.376%0.75572%0.719SS**  trans59.1174.4144.8-76.5-134.4000116
1230E29.4Very low29.2Very low153 Ų153135.5 Ų135.572%0.71572%0.723SS**  cis-157.2165.3-0.6-132.5151.5-146.200106.2
1231L35.5Very low29.2Very low130 Ų130131.8 Ų131.868%0.68171%0.713SS**  cis-170.4154.142.4-111.7166.9000109.1
1232N27.3Very low29.2Very low119 Ų119136.1 Ų136.164%0.63672%0.718SS**  trans34.5156.9136.5-69.319.8000123.5
1233E33.9Very low29.4Very low156 Ų156134.2 Ų134.273%0.72971%0.708SS**  cis-149.4134.94.9-110.2139.1-139.700106.4
1234S28.4Very low29.3Very low96 Ų96133.7 Ų133.767%0.67170%0.696SS**  89.1156.861.394.30000114.9
1235V31.6Very low29.5Very low124 Ų124132 Ų13275%0.75269%0.692SS**  trans73.9130.7164.7167.20000116
1236D33.2Very low29.4Very low123 Ų123129.5 Ų129.566%0.65868%0.681SS**  cis-165.7151.7-7.7-122-6000117
1237I27.1Very low29.5Very low121 Ų121128.4 Ų128.462%0.62168%0.681SS**  trans58.4119.6132.1-80.7172.8000124.5
1238N26.4Very low29.7Very low132 Ų132128.3 Ų128.371%0.70668%0.676SS**  trans53.8154.6138.5-51.7-16000120.3
1239N27.2Very low29.9Very low128 Ų128129.4 Ų129.468%0.68468%0.679SS**  cis176.6172.732.9-140.6-16.6000110.5
1240I27.8Very low30.2Very low132 Ų132129.3 Ų129.368%0.67768%0.679SS**  trans68.8128.4155.2-65.1158.2000117.6
1241V28.2Very low30.3Very low105 Ų105128 Ų12864%0.63668%0.676SS**  cis143.3165.1-9.8157.30000107.9
1242F32.1Very low30.3Very low164 Ų164128.2 Ų128.272%0.71968%0.679SS**  trans94.1107.9177.7-57-71.4000114.3
1243N29.6Very low30.6Very low120 Ų120126.9 Ų126.964%0.64268%0.675SS**  95.2143.857-79.117.7000110.8
1244N30.7Very low30.7Very low112 Ų112128.3 Ų128.360%0.59968%0.678SS**  cis-167143.55.3-112.8-8.5000111.6
1245N31.2Very low31Very low127 Ų127128.2 Ų128.268%0.67968%0.677SS**  trans62.7158.1134.1-56-10.9000120.4
1246N30.1Very low31.2Very low124 Ų124127.7 Ų127.766%0.66368%0.675SS**  cis-168157.94.2-126.53.6000114.5
1247I29Very low31.4Very low128 Ų128126.9 Ų126.966%0.65667%0.671SS**  trans43.1141.7132.3-83.9173.8000121.6
1248H31Very low31.7Very low147 Ų147130.7 Ų130.768%0.68168%0.677SS**  cis-162.9134.1-1.5-107.6-40.4000109.2
1249T30.8Very low32.1Very low114 Ų114130.7 Ų130.770%0.69968%0.676SS**  66138.692.765.60000121.4
1250E33.2Very low32.3Very low161 Ų161129.8 Ų129.875%0.75268%0.675SS**  trans117.3112.4146.1-62.9-144.6104.500122.8
1251N33.1Very low32.5Very low124 Ų124129.7 Ų129.766%0.66368%0.677SS**  trans59.8170.2135-36.2-30.3000121.2
1252D34.8Very low32.8Very low136 Ų136130.7 Ų130.773%0.72768%0.678SS**  cis-158.2136.6-2.3-149.132000115.7
1253V34.2Very low33Very low91 Ų91129.6 Ų129.655%0.55268%0.679SS**  trans65.2130.5130.8157.40000127.9
1254K35.9Very low33.3Very low186 Ų186128.3 Ų128.381%0.80968%0.679SS**  trans69.4158.6151.1-79.7164.6-150.6136.70120.2
1255S34.5Very low33.5Very low93 Ų93129.8 Ų129.865%0.6569%0.687SS**  cis-159.9154.22-136.10000115.1
1256T36.1Very low33.7Very low113 Ų113130.3 Ų130.369%0.69369%0.69SS**  trans14.6155.3137.358.50000122.2
1257D36Very low33.9Very low107 Ų107128.6 Ų128.657%0.57269%0.687SS**  cis-174.7163.426.2-134.4-12.4000114.9
1258R34Very low34Very low200 Ų200127.1 Ų127.176%0.75568%0.681SS**  trans67.9159.5148.8-63.3170.2-152-132-7.3122.1
1259L34Very low34.2Very low132 Ų132124.8 Ų124.869%0.69168%0.681SS**  cis-162.5133.2-18.3-103.6165.5000113.3
1260T31.6Very low34.4Very low109 Ų109125.3 Ų125.367%0.66968%0.675SS**  trans25.7139.8138.259.60000126.4
1261N32.8Very low34.5Very low131 Ų131125 Ų12570%0.70167%0.674SS**  108.8151.1119.7-9649.3000124.9
1262D34.8Very low34.7Very low126 Ų126125 Ų12567%0.67467%0.674SS**  trans77.7147.7151.3-64.9-5.5000122
1263I35.5Very low34.6Very low141 Ų141124.6 Ų124.672%0.72367%0.671SS**  cis-167.8151.8-33.6-126.8171000112.1
1264S35.4Very low34.6Very low93 Ų93127.1 Ų127.165%0.6568%0.682SS**  trans72.7129.6153.569.70000126.3
1265N35.6Very low34.6Very low143 Ų143126 Ų12677%0.76569%0.685SS**  82.7125.3123.5-65.13.3000127
1266N34.8Very low34.5Very low138 Ų138129.5 Ų129.574%0.73870%0.696SS**  trans81.4102.9130.8-73.514.2000125.1
1267S34.2Very low34.4Very low88 Ų88132.7 Ų132.762%0.61570%0.703SS**  84.7111.1107.8-57.50000123.7
1268N31.4Very low34.2Very low96 Ų96134.4 Ų134.451%0.51371%0.708SS.*  83.8146.6127-62.8-4.5000122.1Y550Y550-N1268 HydrophobicContact CD2-CB 4.04Å; Y550-N1268 VanDerWaalsContact CD2-CG 3.5Å; Y550-N1268 WeakPolarHBondContact CD2-OD1 3.4Å; Y550-N1268 HydrophobicContact CE2-CB 3.96Å
1269S34.9Very low34Very low98 Ų98129.6 Ų129.669%0.68570%0.704SS**  trans69.8146.9168.379.50000116
1270H34.7Very low34Very low125 Ų125130.9 Ų130.958%0.57971%0.706SS**  cis-163.3145.5-19.5-141.5-72.1000106.8
1271E35.3Very low34.1Very low154 Ų154133.7 Ų133.772%0.7270%0.704SS**  trans58.1153.1158-84.2154.5-151.600118.7
1272D37.3Very low34.3Very low126 Ų126134.6 Ų134.667%0.67470%0.704SS**  cis-159.9145.5-24.9-140.133.7000110
1273N34.5Very low34.3Very low126 Ų126135.8 Ų135.867%0.67471%0.706SS**  trans68.3149.3168.7-53.9-72.8000120.1
1274N34.4Very low34.4Very low144 Ų144134.1 Ų134.177%0.7770%0.695SS**  trans67.298.8167.9-50.2-35.1000118.3
1275D34.9Very low34.3Very low162 Ų162138.6 Ų138.687%0.86670%0.699SS**  -177.188.2112.1-95.6-9.9000112.3Q1277D1275-Q1277 PolarHBondContact O-N 3.32Å
1276D31.5Very low34.3Very low167 Ų167138.4 Ų138.489%0.89369%0.693SS**  trans-75.478.6173.6-80.5-56000112.1
1277Q34.1Very low34.3Very low181 Ų181138.1 Ų138.185%0.84669%0.687SS**  trans-155.311.6170.1-131.4162.797.700122.3D1275D1275-Q1277 PolarHBondContact O-N 3.32Å
1278H31.9Very low34.6Very low142 Ų142138.6 Ų138.666%0.65768%0.682SS**SBendtrans-144.148.8179.6-139.5-89.3000121.2R1281H1278-R1281 PolarHBondContact NE2-NH2 2.81Å
1279C30.4Very low34.8Very low100 Ų100137 Ų13768%0.67667%0.673SS**SBendtrans-146.433.9152.9-145.40000116.8R1281C1279-R1281 VanDerWaalsContact C-N 3.35Å
1280H33.9Very low35Very low159 Ų159137.1 Ų137.174%0.73667%0.666SS**SBendtrans-92.210.1169.5-10942.7000114.2
1281R34.5Very low34.9Very low167 Ų167136.6 Ų136.663%0.6367%0.665SS**SBendtrans-101.8-1.3-174.4-143.2-173.3-60.2-88.74115.1H1278 C1279H1278-R1281 PolarHBondContact NE2-NH2 2.81Å; C1279-R1281 VanDerWaalsContact C-N 3.35Å
1282Q35.2Very low34.9Very low150 Ų150132 Ų13270%0.70165%0.65SS**SBendtrans-112.3-33.8-177.3-14182.140.600114Q1284 Y1285Q1282-Q1284 VanDerWaalsContact C-N 3.32Å; Q1282-Q1284 PolarHBondContact O-N 2.86Å; Q1282-Y1285 PolarHBondContact O-N 3.49Å
1283Q36.5Very low35Very low152 Ų152132.8 Ų132.871%0.7165%0.647SS**THydrogen-bonded Turntrans-73.1-23.1175.9-76.9-178.6-24.600113.2Y1285 H1286 Q1287Q1283-Y1285 PolarHBondContact O-N 2.91Å; Q1283-H1286 PolarHBondContact O-N 3.28Å; Q1283-Q1287 PolarHBondContact O-N 3.47Å
1284Q37Very low35Very low105 Ų105133.7 Ų133.749%0.49165%0.651SS.*Hα-helixtrans-60.8-27.2175.4-72.3-174.4-26.400113Q1282 H1286 I1288Q1282-Q1284 VanDerWaalsContact C-N 3.32Å; Q1282-Q1284 PolarHBondContact O-N 2.86Å; Q1284-H1286 VanDerWaalsContact C-N 3.3Å; Q1284-H1286 PolarHBondContact O-N 3.12Å; Q1284-I1288 HydrophobicContact CB-CD1 4Å; Q1284-I1288 WeakPolarHBondContact O-CB 3.43Å; Q1284-I1288 WeakPolarHBondContact O-CG1 3.29Å; Q1284-I1288 PolarHBondContact O-N 2.89Å
1285Y32.5Very low34.9Very low188 Ų188132.1 Ų132.174%0.73764%0.643SS**Hα-helixtrans-77.9-3.5-178.5-93.3-76.9000116.1Q1282 Q1283Q1282-Y1285 PolarHBondContact O-N 3.49Å; Q1283-Y1285 PolarHBondContact O-N 2.91Å
1286H35.8Very low34.8Very low139 Ų139131.6 Ų131.664%0.64464%0.639SS**Hα-helixtrans-111.1-28.8168.2-143.848.9000112.4Q1283 Q1284Q1283-H1286 PolarHBondContact O-N 3.28Å; Q1284-H1286 VanDerWaalsContact C-N 3.3Å; Q1284-H1286 PolarHBondContact O-N 3.12Å
1287Q36.1Very low34.9Very low132 Ų132125.6 Ų125.662%0.61761%0.611SS**Hα-helixtrans-76.9-30.2174.8-160.6167.26.100112.9Q1283 M1291Q1283-Q1287 PolarHBondContact O-N 3.47Å; Q1287-M1291 WeakPolarHBondContact O-CB 3.49Å; Q1287-M1291 WeakPolarHBondContact O-CG 3.46Å; Q1287-M1291 PolarHBondContact O-N 2.98Å
1288I39.1Very low34.9Very low97 Ų97123.5 Ų123.550%0.49760%0.604SS.*Hα-helixtrans-73.1-28.5174.6-68.8172000112Q1284 S1292Q1284-I1288 HydrophobicContact CB-CD1 4Å; Q1284-I1288 WeakPolarHBondContact O-CB 3.43Å; Q1284-I1288 WeakPolarHBondContact O-CG1 3.29Å; Q1284-I1288 PolarHBondContact O-N 2.89Å; I1288-S1292 VanDerWaalsContact O-CB 3.26Å; I1288-S1292 WeakPolarHBondContact O-CB 3.31Å; I1288-S1292 PolarHBondContact O-N 3.17Å; I1288-S1292 PolarHBondContact O-OG 2.78Å
1289D36.6Very low34.8Very low62 Ų62122.4 Ų122.433%0.33260%0.603SS.*Hα-helixtrans-68.4-44.9174.8-172.251.6000111.2S1292 K1293D1289-S1292 PolarHBondContact O-OG 3.35Å; D1289-K1293 WeakPolarHBondContact O-CB 3.33Å; D1289-K1293 WeakPolarHBondContact O-CG 3.19Å; D1289-K1293 PolarHBondContact O-N 2.79Å; D1289-K1293 WeakPolarHBondContact OD1-CE 3.24Å; D1289-K1293 IonicContact OD1-NZ 3.12Å; D1289-K1293 PolarHBondContact OD1-NZ 3.2Å; D1289-K1293 IonicContact OD2-NZ 3.05Å; D1289-K1293 PolarHBondContact OD2-NZ 2.84Å
1290L38.1Very low35.1Very low101 Ų101123.9 Ų123.953%0.52960%0.599SS.*Hα-helixtrans-69.1-34.4172.5-86.2110.8000113.7L1294L1290-L1294 WeakPolarHBondContact O-CB 3.35Å; L1290-L1294 WeakPolarHBondContact O-CG 3.19Å; L1290-L1294 PolarHBondContact O-N 2.67Å
1291M33.5Very low35Very low114 Ų114121 Ų12156%0.56260%0.596SS**Hα-helixtrans-83.4-9177.5-71.9-148.372.700115Q1287 N1295Q1287-M1291 WeakPolarHBondContact O-CB 3.49Å; Q1287-M1291 WeakPolarHBondContact O-CG 3.46Å; Q1287-M1291 PolarHBondContact O-N 2.98Å; M1291-N1295 WeakPolarHBondContact O-CB 3.48Å; M1291-N1295 PolarHBondContact O-ND2 3.32Å
1292S34.6Very low34.8Very low58 Ų58116.7 Ų116.741%0.40659%0.586SS.*Hα-helixtrans-92.6-38.3167.854.20000111.7I1288 D1289 L1294 N1295I1288-S1292 VanDerWaalsContact O-CB 3.26Å; I1288-S1292 WeakPolarHBondContact O-CB 3.31Å; I1288-S1292 PolarHBondContact O-N 3.17Å; I1288-S1292 PolarHBondContact O-OG 2.78Å; D1289-S1292 PolarHBondContact O-OG 3.35Å; S1292-L1294 PolarHBondContact O-N 3.45Å; S1292-N1295 PolarHBondContact O-N 2.86Å; S1292-N1295 VanDerWaalsContact O-N 3.08Å
1293K40Very low34.8Very low142 Ų142117.2 Ų117.262%0.61759%0.588SS**Hα-helixtrans-66.4-16.8173.2-72.3168.6178.6163.60114.3D1289D1289-K1293 WeakPolarHBondContact O-CB 3.33Å; D1289-K1293 WeakPolarHBondContact O-CG 3.19Å; D1289-K1293 PolarHBondContact O-N 2.79Å; D1289-K1293 WeakPolarHBondContact OD1-CE 3.24Å; D1289-K1293 IonicContact OD1-NZ 3.12Å; D1289-K1293 PolarHBondContact OD1-NZ 3.2Å; D1289-K1293 IonicContact OD2-NZ 3.05Å; D1289-K1293 PolarHBondContact OD2-NZ 2.84Å
1294L34.5Very low34.6Very low146 Ų146117.3 Ų117.376%0.76459%0.593SS**THydrogen-bonded Turntrans-10310.5172.1-69.8172.3000114.2L1290 S1292L1290-L1294 WeakPolarHBondContact O-CB 3.35Å; L1290-L1294 WeakPolarHBondContact O-CG 3.19Å; L1290-L1294 PolarHBondContact O-N 2.67Å; S1292-L1294 PolarHBondContact O-N 3.45Å
1295N31.4Very low34.2Very low110 Ų110121.7 Ų121.759%0.58861%0.605SS**  trans-116.415.4-179.5-103-56.3000114.5M1291 S1292 S1297M1291-N1295 WeakPolarHBondContact O-CB 3.48Å; M1291-N1295 PolarHBondContact O-ND2 3.32Å; S1292-N1295 PolarHBondContact O-N 2.86Å; S1292-N1295 VanDerWaalsContact O-N 3.08Å; N1295-S1297 PolarHBondContact O-N 3.33Å
1296L33.9Very low34.1Very low152 Ų152120.2 Ų120.280%0.79661%0.609SS**SBendtrans-70.396.9168.8-98.173.4000110.5
1297S34.2Very low33.9Very low41 Ų41120.8 Ų120.829%0.28762%0.616SS.*  trans66.672.1145.2-151.70000118N1295 N1299 E1300 C1301N1295-S1297 PolarHBondContact O-N 3.33Å; S1297-N1299 PolarHBondContact O-N 3.06Å; S1297-N1299 VanDerWaalsContact O-N 3.09Å; S1297-E1300 WeakPolarHBondContact CB-OE2 3.49Å; S1297-E1300 PolarHBondContact O-N 3.44Å; S1297-E1300 WeakPolarHBondContact OG-CB 3.23Å; S1297-E1300 VanDerWaalsContact OG-CD 3.32Å; S1297-E1300 VanDerWaalsContact OG-CG 3.23Å; S1297-E1300 WeakPolarHBondContact OG-CG 3.45Å; S1297-E1300 PolarHBondContact OG-N 2.88Å; S1297-E1300 PolarHBondContact OG-OE2 2.94Å; S1297-C1301 PolarHBondContact O-N 2.84Å
1298I32.4Very low33.8Very low136 Ų136118.4 Ų118.470%0.69761%0.612SS**THydrogen-bonded Turntrans-56.6-15.3154.7-67.9173.8000111.7N1302I1298-N1302 PolarHBondContact O-ND2 3.4Å
1299N30.7Very low33.6Very low119 Ų119118.9 Ų118.964%0.63662%0.624SS**THydrogen-bonded Turntrans-82-36.9174-80.3-9.2000114.3S1297 N1302S1297-N1299 PolarHBondContact O-N 3.06Å; S1297-N1299 VanDerWaalsContact O-N 3.09Å; N1299-N1302 PolarHBondContact O-N 3.45Å
1300E36.8Very low33.8Very low131 Ų131121.8 Ų121.861%0.61264%0.64SS**Hα-helixtrans-72.1-32177.1-78.4161.9137.800112S1297 N1302 Q1303S1297-E1300 WeakPolarHBondContact CB-OE2 3.49Å; S1297-E1300 PolarHBondContact O-N 3.44Å; S1297-E1300 WeakPolarHBondContact OG-CB 3.23Å; S1297-E1300 VanDerWaalsContact OG-CD 3.32Å; S1297-E1300 VanDerWaalsContact OG-CG 3.23Å; S1297-E1300 WeakPolarHBondContact OG-CG 3.45Å; S1297-E1300 PolarHBondContact OG-N 2.88Å; S1297-E1300 PolarHBondContact OG-OE2 2.94Å; E1300-N1302 PolarHBondContact O-N 3.06Å; E1300-N1302 VanDerWaalsContact O-N 3.13Å; E1300-Q1303 PolarHBondContact O-N 3.33Å; E1300-Q1303 VanDerWaalsContact O-N 3.12Å
1301C30.9Very low33.7Very low99 Ų99121.2 Ų121.267%0.66964%0.637SS**Hα-helixtrans-62.9-18.1173.1-160.90000113.5S1297S1297-C1301 PolarHBondContact O-N 2.84Å
1302N31.8Very low34Very low77 Ų77121.9 Ų121.941%0.41264%0.642SS.*Hα-helixtrans-88.4-17.5175.7-79.8-67.2000114.1I1298 N1299 E1300 L1304 R1305I1298-N1302 PolarHBondContact O-ND2 3.4Å; N1299-N1302 PolarHBondContact O-N 3.45Å; E1300-N1302 PolarHBondContact O-N 3.06Å; E1300-N1302 VanDerWaalsContact O-N 3.13Å; N1302-L1304 VanDerWaalsContact C-N 3.34Å; N1302-R1305 WeakPolarHBondContact O-CB 3.38Å
1303Q34.6Very low34.2Very low160 Ų160123 Ų12375%0.74865%0.65SS**Hα-helixtrans-74.8-22.5177-73.1-81.768.200113.1E1300 R1305E1300-Q1303 PolarHBondContact O-N 3.33Å; E1300-Q1303 VanDerWaalsContact O-N 3.12Å; Q1303-R1305 VanDerWaalsContact C-N 3.33Å
1304L31.2Very low34.1Very low155 Ų155121.9 Ų121.981%0.81264%0.642SS**THydrogen-bonded Turntrans-89.47.3177.9-66.2174.7000113.7N1302 L1306N1302-L1304 VanDerWaalsContact C-N 3.34Å; L1304-L1306 VanDerWaalsContact C-N 3.26Å; L1304-L1306 PolarHBondContact O-N 3.44Å
1305R29.6Very low34.3Very low197 Ų197123.7 Ų123.774%0.74364%0.639SS**THydrogen-bonded Turntrans-86.521.2-173.2-150.7175.3-174.1159.73.3114.7N1302 Q1303N1302-R1305 WeakPolarHBondContact O-CB 3.38Å; Q1303-R1305 VanDerWaalsContact C-N 3.33Å
1306L31Very low34.7Very low156 Ų156123.7 Ų123.782%0.81764%0.638SS**THydrogen-bonded Turntrans-130.430.9-171.8-71.5175.1000114.6L1304L1304-L1306 VanDerWaalsContact C-N 3.26Å; L1304-L1306 PolarHBondContact O-N 3.44Å
1307L30.8Very low34.9Very low151 Ų151124.6 Ų124.679%0.79163%0.632SS**SBendtrans-130.1128.5166.3-72.6174.3000111S1309L1307-S1309 PolarHBondContact O-N 3.32Å
1308P34Very low35.2Very low82 Ų82129 Ų12953%0.53265%0.646SS.*  trans-74.1124.5179.429.7-33.2000111N1310 D1311P1308-N1310 PolarHBondContact O-N 3.23Å; P1308-D1311 PolarHBondContact O-N 3.24Å; P1308-D1311 VanDerWaalsContact O-N 3.1Å
1309S35.8Very low35.8Very low108 Ų108125.3 Ų125.376%0.75563%0.633SS**THydrogen-bonded Turntrans-61.2-5.4-173.6-42.90000115.8L1307L1307-S1309 PolarHBondContact O-N 3.32Å
1310N39.5Very low36.4Very low123 Ų123124.4 Ų124.466%0.65863%0.628SS**Hα-helixtrans-80.6-25.3177.1-63.6-19.8000112.8P1308 R1314P1308-N1310 PolarHBondContact O-N 3.23Å; N1310-R1314 PolarHBondContact O-N 3.03Å; N1310-R1314 VanDerWaalsContact O-N 3.15Å
1311D37Very low36.8Very low88 Ų88121.6 Ų121.647%0.47162%0.617SS.*Hα-helixtrans-73.2-36.4-175.2-96.4-21000112.9P1308 S1313 R1314 R1315P1308-D1311 PolarHBondContact O-N 3.24Å; P1308-D1311 VanDerWaalsContact O-N 3.1Å; D1311-S1313 VanDerWaalsContact C-N 3.28Å; D1311-S1313 PolarHBondContact O-N 2.87Å; D1311-R1314 PolarHBondContact O-N 3.11Å; D1311-R1315 WeakPolarHBondContact O-CB 3.42Å; D1311-R1315 PolarHBondContact O-N 3.39Å
1312L38.7Very low37.8Very low129 Ų129122.3 Ų122.368%0.67561%0.61SS**Hα-helixtrans-62-39.7178.3-136.680.8000111.4R1315 L1316L1312-R1315 PolarHBondContact O-N 3.21Å; L1312-L1316 WeakPolarHBondContact O-CB 3.22Å; L1312-L1316 WeakPolarHBondContact O-CG 3.47Å; L1312-L1316 PolarHBondContact O-N 3.19Å
1313S39.1Very low38.9Very low81 Ų81124.4 Ų124.457%0.56662%0.616SS**Hα-helixtrans-68.3-42176.1-64.80000112.1D1311 Y1317D1311-S1313 VanDerWaalsContact C-N 3.28Å; D1311-S1313 PolarHBondContact O-N 2.87Å; S1313-Y1317 WeakPolarHBondContact O-CB 3.33Å; S1313-Y1317 PolarHBondContact O-N 3.47Å; S1313-Y1317 VanDerWaalsContact O-N 3.11Å
1314R38.5Very low39.9Very low118 Ų118120.3 Ų120.345%0.44560%0.598SS.*Hα-helixtrans-62.7-43.7173.2-78.6-172.3176.8-125.62111.8N1310 D1311 Y1317 F1318N1310-R1314 PolarHBondContact O-N 3.03Å; N1310-R1314 VanDerWaalsContact O-N 3.15Å; D1311-R1314 PolarHBondContact O-N 3.11Å; R1314-Y1317 CarbonylContact O-C 3.56Å; R1314-Y1317 WeakPolarHBondContact O-CB 3.26Å; R1314-Y1317 PolarHBondContact O-N 3.15Å; R1314-Y1317 VanDerWaalsContact O-N 3.16Å; R1314-F1318 HydrophobicContact CB-CD2 4.38Å; R1314-F1318 WeakPolarHBondContact O-CD2 3.17Å; R1314-F1318 PolarHBondContact O-N 2.79Å
1315R38.5Very low41.3Very low185 Ų185116.8 Ų116.870%0.69858%0.581SS**Hα-helixtrans-69.6-37.3-174.5-157.8157.5179.2163.2-5.5112.1D1311 L1312 F1318 S1319D1311-R1315 WeakPolarHBondContact O-CB 3.42Å; D1311-R1315 PolarHBondContact O-N 3.39Å; L1312-R1315 PolarHBondContact O-N 3.21Å; R1315-F1318 PolarHBondContact O-N 3.16Å; R1315-S1319 WeakPolarHBondContact O-CB 3.41Å; R1315-S1319 PolarHBondContact O-N 3.06Å; R1315-S1319 PolarHBondContact O-OG 2.78Å
1316L40.3Very low42.4Very low110 Ų110112.6 Ų112.658%0.57657%0.57SS**Hα-helixtrans-67-37.1168.5-70.6169.7000112.5L1312 N1320L1312-L1316 WeakPolarHBondContact O-CB 3.22Å; L1312-L1316 WeakPolarHBondContact O-CG 3.47Å; L1312-L1316 PolarHBondContact O-N 3.19Å; L1316-N1320 WeakPolarHBondContact O-CB 3.25Å; L1316-N1320 VanDerWaalsContact O-CG 3.26Å; L1316-N1320 PolarHBondContact O-N 3.24Å; L1316-N1320 PolarHBondContact O-ND2 3.26Å
1317Y38Very low43.3Very low171 Ų171108.9 Ų108.967%0.67155%0.549SS*.Hα-helixtrans-67.2-38.4173.8-125.5-86.7000112.6S1313 R1314 N1321S1313-Y1317 WeakPolarHBondContact O-CB 3.33Å; S1313-Y1317 PolarHBondContact O-N 3.47Å; S1313-Y1317 VanDerWaalsContact O-N 3.11Å; R1314-Y1317 CarbonylContact O-C 3.56Å; R1314-Y1317 WeakPolarHBondContact O-CB 3.26Å; R1314-Y1317 PolarHBondContact O-N 3.15Å; R1314-Y1317 VanDerWaalsContact O-N 3.16Å; Y1317-N1321 PolarHBondContact O-N 3.11Å; Y1317-N1321 VanDerWaalsContact O-N 3.12Å; Y1317-N1321 PolarHBondContact O-ND2 3.45Å
1318F40.2Very low44.6Very low132 Ų132107 Ų10758%0.57953%0.534SS*.Hα-helixtrans-68.3-50.5175.5-84.9-66.1000111.3R1314 R1315 N1320 N1321 E1322R1314-F1318 HydrophobicContact CB-CD2 4.38Å; R1314-F1318 WeakPolarHBondContact O-CD2 3.17Å; R1314-F1318 PolarHBondContact O-N 2.79Å; R1315-F1318 PolarHBondContact O-N 3.16Å; F1318-N1320 VanDerWaalsContact C-N 3.29Å; F1318-N1320 PolarHBondContact O-N 3.03Å; F1318-N1321 PolarHBondContact O-N 2.9Å; F1318-N1321 VanDerWaalsContact O-N 3.13Å; F1318-E1322 VanDerWaalsContact O-CB 3.24Å; F1318-E1322 WeakPolarHBondContact O-CB 3.45Å; F1318-E1322 PolarHBondContact O-N 2.59Å
1319S44.4Very low45.4Very low60 Ų60108.4 Ų108.442%0.4253%0.534SS..Hα-helixtrans-63.4-32.1178.4-63.90000113.3R1315 F1323R1315-S1319 WeakPolarHBondContact O-CB 3.41Å; R1315-S1319 PolarHBondContact O-N 3.06Å; R1315-S1319 PolarHBondContact O-OG 2.78Å; S1319-F1323 WeakPolarHBondContact O-CB 3.34Å; S1319-F1323 PolarHBondContact O-N 3.05Å
1320N43.2Very low46Very low99 Ų99106.3 Ų106.353%0.52952%0.517SS..Hα-helixtrans-69.7-38.5173-76.4-10.5000112.6L1316 F1318 I1324L1316-N1320 WeakPolarHBondContact O-CB 3.25Å; L1316-N1320 VanDerWaalsContact O-CG 3.26Å; L1316-N1320 PolarHBondContact O-N 3.24Å; L1316-N1320 PolarHBondContact O-ND2 3.26Å; F1318-N1320 VanDerWaalsContact C-N 3.29Å; F1318-N1320 PolarHBondContact O-N 3.03Å; N1320-I1324 WeakPolarHBondContact O-CB 3.5Å; N1320-I1324 WeakPolarHBondContact O-CD1 3.07Å; N1320-I1324 VanDerWaalsContact O-CG1 3.24Å; N1320-I1324 WeakPolarHBondContact O-CG1 3.21Å; N1320-I1324 PolarHBondContact O-N 2.87Å
1321N46.7Very low46.2Very low73 Ų73105 Ų10539%0.3951%0.51SS..Hα-helixtrans-71.2-40.6174.3-74.4-25.4000111.6Y1317 F1318 F1323 I1324 D1325Y1317-N1321 PolarHBondContact O-N 3.11Å; Y1317-N1321 VanDerWaalsContact O-N 3.12Å; Y1317-N1321 PolarHBondContact O-ND2 3.45Å; F1318-N1321 PolarHBondContact O-N 2.9Å; F1318-N1321 VanDerWaalsContact O-N 3.13Å; N1321-F1323 VanDerWaalsContact C-N 3.33Å; N1321-F1323 PolarHBondContact O-N 2.84Å; N1321-I1324 CarbonylContact O-C 3.51Å; N1321-I1324 PolarHBondContact O-N 3.01Å; N1321-D1325 WeakPolarHBondContact O-CB 3.49Å; N1321-D1325 PolarHBondContact O-N 2.86Å
1322E51.7Low46.5Very low113 Ų113106 Ų10653%0.52852%0.515SS..Hα-helixtrans-62.9-38.3175.6-173.7172.7-156.200111.4F1318 Q1326F1318-E1322 VanDerWaalsContact O-CB 3.24Å; F1318-E1322 WeakPolarHBondContact O-CB 3.45Å; F1318-E1322 PolarHBondContact O-N 2.59Å; E1322-Q1326 VanDerWaalsContact O-CB 3.23Å; E1322-Q1326 WeakPolarHBondContact O-CB 3.48Å; E1322-Q1326 WeakPolarHBondContact O-CG 3.25Å; E1322-Q1326 PolarHBondContact O-N 3.35Å
1323F54.3Low46.7Very low121 Ų121105.1 Ų105.153%0.53151%0.507SS..Hα-helixtrans-70.5-38.3172-175.9-106.1000112.8S1319 N1321 M1327S1319-F1323 WeakPolarHBondContact O-CB 3.34Å; S1319-F1323 PolarHBondContact O-N 3.05Å; N1321-F1323 VanDerWaalsContact C-N 3.33Å; N1321-F1323 PolarHBondContact O-N 2.84Å; F1323-M1327 HydrophobicContact CD1-CE 3.77Å; F1323-M1327 HydrophobicContact CD1-SD 4.44Å; F1323-M1327 HydrophobicContact CE1-CE 3.53Å; F1323-M1327 HydrophobicContact CE1-CG 4.29Å; F1323-M1327 HydrophobicContact CE1-SD 3.76Å; F1323-M1327 HydrophobicContact CZ-CE 4.39Å; F1323-M1327 HydrophobicContact CZ-CG 4.32Å; F1323-M1327 HydrophobicContact CZ-SD 4.04Å; F1323-M1327 WeakPolarHBondContact O-CB 3.45Å; F1323-M1327 WeakPolarHBondContact O-CG 3.44Å; F1323-M1327 PolarHBondContact O-N 2.79Å
1324I56Low46.7Very low74 Ų74107.2 Ų107.238%0.37951%0.511SS..Hα-helixtrans-67.4-38.9174.4-77.1168.5000111.4N1320 N1321 M1327 K1328N1320-I1324 WeakPolarHBondContact O-CB 3.5Å; N1320-I1324 WeakPolarHBondContact O-CD1 3.07Å; N1320-I1324 VanDerWaalsContact O-CG1 3.24Å; N1320-I1324 WeakPolarHBondContact O-CG1 3.21Å; N1320-I1324 PolarHBondContact O-N 2.87Å; N1321-I1324 CarbonylContact O-C 3.51Å; N1321-I1324 PolarHBondContact O-N 3.01Å; I1324-M1327 HydrophobicContact CG1-CE 4.32Å; I1324-M1327 PolarHBondContact O-N 3.3Å; I1324-K1328 WeakPolarHBondContact O-CG 3.49Å; I1324-K1328 PolarHBondContact O-N 2.88Å
1325D60.4Low46.7Very low82 Ų82107.8 Ų107.844%0.43952%0.521SS..Hα-helixtrans-77.3-33.9178.4-69.3-24.1000111.2N1321 K1328 Q1329N1321-D1325 WeakPolarHBondContact O-CB 3.49Å; N1321-D1325 PolarHBondContact O-N 2.86Å; D1325-K1328 PolarHBondContact O-N 2.98Å; D1325-K1328 WeakPolarHBondContact OD1-CE 3.07Å; D1325-K1328 IonicContact OD1-NZ 3.01Å; D1325-K1328 PolarHBondContact OD1-NZ 3.45Å; D1325-Q1329 VanDerWaalsContact O-CB 3.32Å; D1325-Q1329 WeakPolarHBondContact O-CB 3.37Å; D1325-Q1329 PolarHBondContact O-N 3.45Å
1326Q52.3Low46.5Very low109 Ų109106 Ų10651%0.50953%0.526SS..Hα-helixtrans-61.9-40.6165-78174.317.500111.8E1322 K1328 Q1329 T1330E1322-Q1326 VanDerWaalsContact O-CB 3.23Å; E1322-Q1326 WeakPolarHBondContact O-CB 3.48Å; E1322-Q1326 WeakPolarHBondContact O-CG 3.25Å; E1322-Q1326 PolarHBondContact O-N 3.35Å; Q1326-K1328 VanDerWaalsContact C-N 3.33Å; Q1326-K1328 PolarHBondContact O-N 3.28Å; Q1326-Q1329 WeakPolarHBondContact O-CB 3.17Å; Q1326-Q1329 PolarHBondContact O-N 3.1Å; Q1326-T1330 PolarHBondContact O-N 2.72Å; Q1326-T1330 PolarHBondContact O-OG1 3.48Å; Q1326-T1330 VanDerWaalsContact O-OG1 3.11Å
1327M49.4Very low46.2Very low77 Ų77108.5 Ų108.538%0.37953%0.534SS..Hα-helixtrans-66.1-31.6172.9-79.8-164.2-60.800112.9F1323 I1324 T1330 N1331F1323-M1327 HydrophobicContact CD1-CE 3.77Å; F1323-M1327 HydrophobicContact CD1-SD 4.44Å; F1323-M1327 HydrophobicContact CE1-CE 3.53Å; F1323-M1327 HydrophobicContact CE1-CG 4.29Å; F1323-M1327 HydrophobicContact CE1-SD 3.76Å; F1323-M1327 HydrophobicContact CZ-CE 4.39Å; F1323-M1327 HydrophobicContact CZ-CG 4.32Å; F1323-M1327 HydrophobicContact CZ-SD 4.04Å; F1323-M1327 WeakPolarHBondContact O-CB 3.45Å; F1323-M1327 WeakPolarHBondContact O-CG 3.44Å; F1323-M1327 PolarHBondContact O-N 2.79Å; I1324-M1327 HydrophobicContact CG1-CE 4.32Å; I1324-M1327 PolarHBondContact O-N 3.3Å; M1327-T1330 PolarHBondContact O-OG1 3.31Å; M1327-N1331 VanDerWaalsContact O-CB 3.22Å; M1327-N1331 WeakPolarHBondContact O-CB 3.16Å; M1327-N1331 PolarHBondContact O-N 3.02Å; M1327-N1331 PolarHBondContact O-ND2 3Å
1328K58.4Low46Very low112 Ų112107.5 Ų107.549%0.48754%0.541SS..Hα-helixtrans-71.8-38.3170.9-68.9167.8-160.5157.30111.7I1324 D1325 Q1326 N1332I1324-K1328 WeakPolarHBondContact O-CG 3.49Å; I1324-K1328 PolarHBondContact O-N 2.88Å; D1325-K1328 PolarHBondContact O-N 2.98Å; D1325-K1328 WeakPolarHBondContact OD1-CE 3.07Å; D1325-K1328 IonicContact OD1-NZ 3.01Å; D1325-K1328 PolarHBondContact OD1-NZ 3.45Å; Q1326-K1328 VanDerWaalsContact C-N 3.33Å; Q1326-K1328 PolarHBondContact O-N 3.28Å; K1328-N1332 WeakPolarHBondContact O-CB 3.49Å; K1328-N1332 PolarHBondContact O-N 2.94Å; K1328-N1332 PolarHBondContact O-ND2 2.81Å
1329Q50.1Low45.7Very low112 Ų112109.4 Ų109.452%0.52356%0.557SS.*Hα-helixtrans-59.8-54176.4-163.773.336.400109.3D1325 Q1326 N1332 E1333D1325-Q1329 VanDerWaalsContact O-CB 3.32Å; D1325-Q1329 WeakPolarHBondContact O-CB 3.37Å; D1325-Q1329 PolarHBondContact O-N 3.45Å; Q1326-Q1329 WeakPolarHBondContact O-CB 3.17Å; Q1326-Q1329 PolarHBondContact O-N 3.1Å; Q1329-N1332 PolarHBondContact O-N 3.23Å; Q1329-E1333 WeakPolarHBondContact CG-OE1 3.48Å; Q1329-E1333 PolarHBondContact NE2-OE1 2.69Å; Q1329-E1333 WeakPolarHBondContact O-CB 3.33Å; Q1329-E1333 WeakPolarHBondContact O-CG 3.36Å; Q1329-E1333 PolarHBondContact O-N 2.9Å
1330T48.8Very low45Very low64 Ų64114.3 Ų114.339%0.39358%0.578SS.*Hα-helixtrans-68.2-39.9178.957.50000113.3Q1326 M1327 N1332 E1333 I1334Q1326-T1330 PolarHBondContact O-N 2.72Å; Q1326-T1330 PolarHBondContact O-OG1 3.48Å; Q1326-T1330 VanDerWaalsContact O-OG1 3.11Å; M1327-T1330 PolarHBondContact O-OG1 3.31Å; T1330-N1332 PolarHBondContact O-N 3.29Å; T1330-E1333 PolarHBondContact O-N 2.72Å; T1330-I1334 VanDerWaalsContact O-CB 3.23Å; T1330-I1334 WeakPolarHBondContact O-CB 3.44Å; T1330-I1334 WeakPolarHBondContact O-CD1 3.34Å; T1330-I1334 WeakPolarHBondContact O-CG1 3.26Å; T1330-I1334 PolarHBondContact O-N 2.81Å
1331N43.4Very low44.5Very low96 Ų96115.3 Ų115.351%0.51359%0.588SS.*Hα-helixtrans-70-14.3175.6-78-80.3000113.7M1327 I1335M1327-N1331 VanDerWaalsContact O-CB 3.22Å; M1327-N1331 WeakPolarHBondContact O-CB 3.16Å; M1327-N1331 PolarHBondContact O-N 3.02Å; M1327-N1331 PolarHBondContact O-ND2 3Å; N1331-I1335 WeakPolarHBondContact O-CD1 3.34Å; N1331-I1335 WeakPolarHBondContact O-CG1 3.35Å
1332N44.5Very low43.9Very low108 Ų108117.9 Ų117.958%0.57860%0.602SS**Hα-helixtrans-89.4-42167.9-69.4-21000111.1K1328 Q1329 T1330 I1334 I1335K1328-N1332 WeakPolarHBondContact O-CB 3.49Å; K1328-N1332 PolarHBondContact O-N 2.94Å; K1328-N1332 PolarHBondContact O-ND2 2.81Å; Q1329-N1332 PolarHBondContact O-N 3.23Å; T1330-N1332 PolarHBondContact O-N 3.29Å; N1332-I1334 VanDerWaalsContact C-N 3.25Å; N1332-I1334 PolarHBondContact O-N 3.25Å; N1332-I1335 PolarHBondContact O-N 3.09Å; N1332-I1335 VanDerWaalsContact O-N 3.11Å
1333E42.4Very low42.9Very low111 Ų111118.1 Ų118.152%0.51961%0.607SS.*Hα-helixtrans-66.4-24177.6-72.5166.2177.600112.9Q1329 T1330 I1335Q1329-E1333 WeakPolarHBondContact CG-OE1 3.48Å; Q1329-E1333 PolarHBondContact NE2-OE1 2.69Å; Q1329-E1333 WeakPolarHBondContact O-CB 3.33Å; Q1329-E1333 WeakPolarHBondContact O-CG 3.36Å; Q1329-E1333 PolarHBondContact O-N 2.9Å; T1330-E1333 PolarHBondContact O-N 2.72Å; E1333-I1335 VanDerWaalsContact C-N 3.34Å
1334I39.7Very low41.8Very low124 Ų124118 Ų11864%0.63661%0.612SS**THydrogen-bonded Turntrans-83.7-5.5175.2-68.9165.9000112.7T1330 N1332T1330-I1334 VanDerWaalsContact O-CB 3.23Å; T1330-I1334 WeakPolarHBondContact O-CB 3.44Å; T1330-I1334 WeakPolarHBondContact O-CD1 3.34Å; T1330-I1334 WeakPolarHBondContact O-CG1 3.26Å; T1330-I1334 PolarHBondContact O-N 2.81Å; N1332-I1334 VanDerWaalsContact C-N 3.25Å; N1332-I1334 PolarHBondContact O-N 3.25Å
1335I37.6Very low40.6Very low130 Ų130121 Ų12167%0.66763%0.628SS**THydrogen-bonded Turntrans-99.7-21.1179.2-69.5178.1000112.9N1331 N1332 E1333N1331-I1335 WeakPolarHBondContact O-CD1 3.34Å; N1331-I1335 WeakPolarHBondContact O-CG1 3.35Å; N1332-I1335 PolarHBondContact O-N 3.09Å; N1332-I1335 VanDerWaalsContact O-N 3.11Å; E1333-I1335 VanDerWaalsContact C-N 3.34Å
1336D34.1Very low39.3Very low149 Ų149123 Ų12380%0.79764%0.639SS**SBendtrans-85.8-9.6179.2-76.1-24.7000114.1
1337E34.7Very low38.3Very low162 Ų162123.5 Ų123.576%0.75765%0.645SS**SBendtrans-99.880171.3-70.1-165.1168.400112
1338N34.5Very low37.6Very low150 Ų150127 Ų12780%0.80266%0.66SS**SBendtrans163.382147.7-93.2-68000112
1339N32.8Very low36.5Very low171 Ų171125.5 Ų125.591%0.91466%0.66SS**  trans-176.658.9145.7-98.4-47.9000113.1T1341N1339-T1341 PolarHBondContact O-N 3.22Å
1340D29.5Very low35.8Very low163 Ų163126.6 Ų126.687%0.87267%0.665SS**  trans-67.698.1162.6-100.4-41.9000110.1
1341T34.2Very low35.1Very low120 Ų120126.9 Ų126.974%0.73667%0.665SS**  -179.1146.5129.821.70000115.7N1339N1339-T1341 PolarHBondContact O-N 3.22Å
1342N33.1Very low34.5Very low127 Ų127129 Ų12968%0.67967%0.671SS**  trans72.979149.6-69-43.4000120.6
1343N31Very low34Very low118 Ų118131.9 Ų131.963%0.63169%0.687SS**  70.1104.4108.2-71.4-46.1000120.3
1344N31.8Very low33.5Very low120 Ų120135 Ų13564%0.64270%0.701SS**  79.2119115.1-58.8-15000121.3
1345N30.5Very low33.1Very low135 Ų135135.1 Ų135.172%0.72271%0.712SS**  77.6142.5127.3-62.42.8000118.8
1346L32.5Very low32.8Very low125 Ų125134.7 Ų134.765%0.65472%0.715SS**  cis-156.5172-6-117.9166.7000110.9
1347N32.5Very low33Very low119 Ų119136.3 Ų136.364%0.63672%0.718SS**  trans-54.8-174.9170.3-44.7-12.5000114.1
1348E33.3Very low32.8Very low151 Ų151135.4 Ų135.471%0.70672%0.718SS**  cis-149.5162.414.7-98.897.2-149.600109.9
1349V36.3Very low33Very low81 Ų81135.5 Ų135.549%0.49172%0.717SS.*  cis-153-91.6-3167.70000115.3P171 H172P171-V1349 HydrophobicContact CB-CG1 4.48Å; H172-V1349 VanDerWaalsContact N-CG1 3.32Å; H172-V1349 WeakPolarHBondContact O-CG1 3.35Å
1350E35.2Very low33.5Very low134 Ų134134 Ų13463%0.62671%0.709SS**BIsolated β-bridgetrans-169.4117.3-153.5179.6-174.8-84.600117.7H172H172-E1350 WeakPolarHBondContact CA-O 3.45Å; H172-E1350 PolarHBondContact N-O 3.13Å; H172-E1350 PolarHBondContact ND1-O 3.26Å; H172-E1350 PolarHBondContact O-N 3.46Å; H172-E1350 VanDerWaalsContact O-N 3.13Å
1351D34.4Very low33.8Very low71 Ų71133.3 Ų133.338%0.3871%0.705SS.*  trans-153.4-119.3162.1-152.129.5000120.2H172 D173H172-D1351 HydrophobicContact CB-CB 3.81Å; H172-D1351 IonicContact CE1-OD1 3.28Å; H172-D1351 PolarHBondContact CE1-OD1 3.22Å; H172-D1351 IonicContact CE1-OD2 3.22Å; H172-D1351 IonicContact CG-OD1 3.23Å; H172-D1351 IonicContact CG-OD2 2.8Å; H172-D1351 WeakPolarHBondContact ND1-CB 3.45Å; H172-D1351 IonicContact ND1-OD1 2.66Å; H172-D1351 PolarHBondContact ND1-OD1 3.12Å; H172-D1351 IonicContact ND1-OD2 2.74Å; H172-D1351 PolarHBondContact ND1-OD2 3.43Å; H172-D1351 IonicContact NE2-OD1 2.78Å; D173-D1351 HydrophobicContact CB-CB 3.69Å; D173-D1351 PolarHBondContact OD1-N 2.69Å
1352Q30.4Very low34.3Very low140 Ų140135.3 Ų135.365%0.65471%0.711SS**  trans-144.3140.1-153.3-73.5163.779.700111.7
1353D34.3Very low34.6Very low169 Ų169136.1 Ų136.190%0.90472%0.716SS**  -151.2156.5118.9-138-19.5000111.7
1354E30.5Very low35.3Very low175 Ų175138.2 Ų138.282%0.81873%0.727SS**  trans-91.6120.2-168.5177.2-179.8-133.700112.3
1355C31.9Very low35.7Very low127 Ų127140.3 Ų140.386%0.85873%0.733SS**  trans-146.9123166.5-90.70000112.7
1356V31.5Very low36.3Very low122 Ų122143 Ų14374%0.73974%0.741SS**  trans-89128.8163.3174.40000107.9
1357E37.7Very low36.8Very low183 Ų183144.9 Ų144.986%0.85575%0.747SS**  trans-137.6136.4152.6-76.5-159.7-127.200109.7
1358D30.9Very low37.5Very low143 Ų143148 Ų14877%0.76576%0.757SS**  trans-80.6131.3-179.7-42.5-95.6000110.2
1359I39.9Very low37.9Very low152 Ų152147.8 Ų147.878%0.77976%0.761SS**  trans-135.796.6159.3-60.2-175.7000108.6
1360D41.4Very low38Very low139 Ų139153.4 Ų153.474%0.74378%0.782SS**  trans51.7122.6133.2-51.6-27.7000120.6
1361D36.3Very low38.5Very low148 Ų148155.9 Ų155.979%0.79179%0.794SS**  trans-49.4138.2157.9-44.2-67.1000112.6
1362D45Very low38.8Very low162 Ų162158.8 Ų158.887%0.86681%0.809SS**  trans-139.992156.8-103-34.1000106.8D1364D1362-D1364 PolarHBondContact O-N 3.32Å
1363D40Very low39.5Very low144 Ų144160.5 Ų160.577%0.7782%0.823SS**  trans-76.491.2175.2-78.4-56000110.1E1365D1363-E1365 VanDerWaalsContact C-N 3.28Å; D1363-E1365 PolarHBondContact O-N 3.32Å
1364D44.4Very low39.9Very low163 Ų163157.6 Ų157.687%0.87281%0.807SS**  trans-72.482.9165.1-92.7-33.2000109.6D1362 E1366D1362-D1364 PolarHBondContact O-N 3.32Å; D1364-E1366 PolarHBondContact O-N 2.69Å; D1364-E1366 VanDerWaalsContact O-N 3.13Å
1365E41.1Very low40.1Very low164 Ų164157.9 Ų157.977%0.76681%0.809SS**  trans-66.7100.2170.4-67.2-173.4129.900110.7D1363 E1367D1363-E1365 VanDerWaalsContact C-N 3.28Å; D1363-E1365 PolarHBondContact O-N 3.32Å; E1365-E1367 PolarHBondContact O-N 2.88Å
1366E43.7Very low40.5Very low191 Ų191160.9 Ų160.989%0.89381%0.81SS**  trans-73.582.7159.5-75.5-167.7150.100109.1D1364 E1368D1364-E1366 PolarHBondContact O-N 2.69Å; D1364-E1366 VanDerWaalsContact O-N 3.13Å; E1366-E1368 PolarHBondContact O-N 2.94Å
1367E42.2Very low40.9Very low165 Ų165162.3 Ų162.377%0.77181%0.809SS**  trans-59.1109.4161.4-68.9-170.9129.100109.1E1365E1365-E1367 PolarHBondContact O-N 2.88Å
1368E46Very low41.1Very low184 Ų184159.9 Ų159.986%0.8681%0.806SS**  trans-93.4116.5157-73.7-166147.500107.5E1366 E1370E1366-E1368 PolarHBondContact O-N 2.94Å; E1368-E1370 PolarHBondContact O-N 2.95Å
1369D42.5Very low41.4Very low146 Ų146158.8 Ų158.878%0.78180%0.8SS**  trans-54.4125.5-165.9-53.6-97.5000114.4E1371D1369-E1371 PolarHBondContact O-N 2.85Å; D1369-E1371 VanDerWaalsContact O-N 3.15Å
1370E39.6Very low41.3Very low199 Ų199156.5 Ų156.593%0.9380%0.804SS**  trans-77.290.8159.8-72-156.1171.100109.4E1368 D1372E1368-E1370 PolarHBondContact O-N 2.95Å; E1370-D1372 PolarHBondContact O-N 3.18Å
1371E44.7Very low41.3Very low186 Ų186157.2 Ų157.287%0.86980%0.803SS**  trans-71.2111.7168.4-75.8-162.9140.300111D1369 D1373D1369-E1371 PolarHBondContact O-N 2.85Å; D1369-E1371 VanDerWaalsContact O-N 3.15Å; E1371-D1373 PolarHBondContact O-N 3.06Å
1372D40.8Very low41.5Very low133 Ų133155.6 Ų155.671%0.71179%0.794SS**  trans-55.7104.7174.8-92.1-40.2000113.8E1370 N1374E1370-D1372 PolarHBondContact O-N 3.18Å; D1372-N1374 VanDerWaalsContact C-N 3.32Å; D1372-N1374 WeakPolarHBondContact CB-ND2 2.87Å; D1372-N1374 PolarHBondContact O-N 3.08Å; D1372-N1374 PolarHBondContact OD1-ND2 2.93Å; D1372-N1374 VanDerWaalsContact OD1-ND2 3.16Å; D1372-N1374 PolarHBondContact OD2-ND2 2.85Å
1373D44.6Very low41.5Very low175 Ų175156.4 Ų156.494%0.93679%0.786SS**  trans-88.974.8153.6-110.8-20.6000108.4E1371E1371-D1373 PolarHBondContact O-N 3.06Å
1374N42.5Very low41.6Very low108 Ų108158.2 Ų158.258%0.57879%0.79SS**  trans-67.5144.2-175.4-103.1-63.9000113.6D1372D1372-N1374 VanDerWaalsContact C-N 3.32Å; D1372-N1374 WeakPolarHBondContact CB-ND2 2.87Å; D1372-N1374 PolarHBondContact O-N 3.08Å; D1372-N1374 PolarHBondContact OD1-ND2 2.93Å; D1372-N1374 VanDerWaalsContact OD1-ND2 3.16Å; D1372-N1374 PolarHBondContact OD2-ND2 2.85Å
1375E36.1Very low41.4Very low182 Ų182155.9 Ų155.985%0.8578%0.777SS**  trans0.1116.3160.9-55.2-177.4155.400118.7
1376E40.6Very low41.2Very low189 Ų189156.9 Ų156.988%0.88378%0.782SS**  trans-127.6110.2137.3-160.6167.6-136.700110.7
1377E38Very low41Very low152 Ų152152 Ų15271%0.7177%0.774SS**  trans-70.2123.9-176.7179.1-169.8172.400111.8N1379E1377-N1379 PolarHBondContact OE1-ND2 2.7Å
1378V43.8Very low40.8Very low133 Ų133152.3 Ų152.381%0.80678%0.776SS**  trans-13092.9168.5-163.10000110.4A1380V1378-A1380 PolarHBondContact O-N 3Å
1379N35.9Very low40.2Very low119 Ų119151.2 Ų151.264%0.63677%0.774SS**  trans-63.6127.3-179.4-69.9-55.7000112.9E1377E1377-N1379 PolarHBondContact OE1-ND2 2.7Å
1380A38.7Very low39.9Very low105 Ų105149.4 Ų149.487%0.86877%0.773SS**  trans-138.871.4166.700000108.4V1378V1378-A1380 PolarHBondContact O-N 3Å
1381E41.1Very low39.7Very low153 Ų153148.2 Ų148.272%0.71577%0.767SS**  trans-84155.1-170.7-128.8-170.3171.700113.2
1382L41Very low39.4Very low114 Ų114147.7 Ų147.760%0.59777%0.765SS**  trans78.3130.7150.5-63.2165.4000122.1
1383Y43.3Very low39.3Very low179 Ų179149.1 Ų149.170%0.70277%0.767SS**  trans63.3149.9163.9-54.1-62.4000118.2D1385Y1383-D1385 VanDerWaalsContact CD1-OD2 3.3Å; Y1383-D1385 WeakPolarHBondContact CD1-OD2 3.23Å
1384E43.4Very low39.2Very low182 Ų182148.9 Ų148.985%0.8577%0.766SS**  cis-117.6131.38.3-66.4166.4170.600109.1
1385D39.2Very low39Very low115 Ų115149.8 Ų149.862%0.61577%0.771SS**  65.1112.879.8-60.8-21.9000113Y1383Y1383-D1385 VanDerWaalsContact CD1-OD2 3.3Å; Y1383-D1385 WeakPolarHBondContact CD1-OD2 3.23Å
1386E37.8Very low39.1Very low185 Ų185148.3 Ų148.386%0.86477%0.769SS**  76.887.271.3-72.8-68.2166.300114.2
1387A38.7Very low39.1Very low87 Ų87147 Ų14772%0.71977%0.768SS**  trans-164.2112160.400000107.7
1388E38.3Very low39.1Very low173 Ų173146.1 Ų146.181%0.80877%0.768SS**  64.211388.3-65.4-171.3150.700113.1
1389I34.1Very low38.7Very low160 Ų160146.3 Ų146.382%0.82177%0.769SS**  79.77959.5-59.7166.8000112.9
1390S36.5Very low38.5Very low108 Ų108146.7 Ų146.776%0.75577%0.771SS**  trans-174.9129.1145.853.10000105.5
1391E34.2Very low38.3Very low174 Ų174147.7 Ų147.781%0.81377%0.766SS**  cis65.7139.946.4-57.1-157.6151.500113.7
1392E38.9Very low37.8Very low176 Ų176146.6 Ų146.682%0.82276%0.764SS**  trans66.7102.7176.3-65170.2-166.900115.7
1393E38.9Very low37.4Very low162 Ų162147.8 Ų147.876%0.75777%0.771SS**  95.880.487.4-84.3-163.9-166.600113.1N1395E1393-N1395 PolarHBondContact O-N 3.5Å
1394D41.6Very low36.9Very low170 Ų170144 Ų14491%0.90977%0.77SS**  trans-66.398160.6-75.4-40.9000109.4
1395N38.7Very low36.6Very low128 Ų128138.6 Ų138.668%0.68475%0.748SS**  trans-120.3141.6159.5-86.3-66.7000109.2E1393E1393-N1395 PolarHBondContact O-N 3.5Å
1396D38.6Very low36.4Very low151 Ų151136.8 Ų136.881%0.80773%0.734SS**  trans-67.5149.5-173-48.1-92.1000113.3
1397D39.5Very low36.4Very low162 Ų162133.8 Ų133.887%0.86672%0.719SS**  -165.6154.8115.4-114.4-22.3000113.3
1398D38Very low36Very low133 Ų133137.1 Ų137.171%0.71172%0.719SS**  trans-62.2154.4176.9-93.3-58.1000114.1
1399V36.8Very low35.6Very low136 Ų136134 Ų13482%0.82472%0.715SS**  -179.4129105.4150.80000112.6
1400N31.6Very low35.5Very low128 Ų128131.6 Ų131.668%0.68471%0.708SS**  trans-65.8142.2169.8-66.6-92.9000112.7
1401T34.2Very low35.2Very low125 Ų125135.7 Ų135.777%0.76771%0.707SS**  trans178.1100.3141.9-80.40000108.4
1402I30.3Very low35.3Very low130 Ų130133.4 Ų133.467%0.66770%0.696SS**  97.8133.366.3-79.9164.2000112.5
1403N33.7Very low35Very low140 Ų140131 Ų13175%0.74969%0.689SS**  trans65.9113.3174.6-62.6-23.7000116.7
1404S31.9Very low34.9Very low98 Ų98127.9 Ų127.969%0.68568%0.677SS**  72.3119.257.3-64.10000114.3
1405D36.4Very low34.6Very low70 Ų70125.8 Ų125.837%0.37467%0.666SS.*  -171.3126.1113.2-99.9-21.3000119.2T471T471-D1405 CarbonylContact C-O 3.56Å; T471-D1405 WeakPolarHBondContact CA-O 3.19Å; T471-D1405 PolarHBondContact N-O 3.49Å; T471-D1405 VanDerWaalsContact N-O 3.13Å
1406K36.9Very low34.5Very low77 Ų77122.1 Ų122.134%0.33565%0.65SS.*  73120.7129.4-70.1165-170.5146.60121.1E468 S469E468-K1406 VanDerWaalsContact O-CD 3.23Å; E468-K1406 WeakPolarHBondContact O-CD 3.27Å; E468-K1406 WeakPolarHBondContact O-CE 3.17Å; E468-K1406 PolarHBondContact O-NZ 2.79Å; S469-K1406 VanDerWaalsContact O-CD 3.31Å; S469-K1406 WeakPolarHBondContact O-CD 3.42Å; S469-K1406 PolarHBondContact O-NZ 3.04Å
1407K35.9Very low34.3Very low122 Ų122121 Ų12153%0.5364%0.644SS.*  77.7149.797.6-68.4176.5-175.1176.80113.8Q467Q467-K1407 PolarHBondContact O-NZ 3.21Å
1408H31.4Very low34Very low156 Ų156117.3 Ų117.372%0.72263%0.631SS**  cis-156.7148.9-4.7-129.5-37.5000108.9
1409C29.9Very low33.8Very low109 Ų109117.7 Ų117.774%0.73663%0.633SS**  trans156.5107.2143.5-84.70000107.9
1410T32.2Very low33.5Very low109 Ų109122.6 Ų122.667%0.66965%0.654SS**  61.21328765.20000113.2
1411R30.3Very low33.6Very low193 Ų193122.3 Ų122.373%0.72865%0.653SS**  cis-170.7158.328.1-138.5162143.5175.5-16.2114
1412H35.7Very low33.5Very low126 Ų126122.2 Ų122.258%0.58365%0.647SS**  trans67.7127.1161-64.3-47.5000117.1
1413D33.8Very low33.7Very low126 Ų126121.7 Ų121.767%0.67465%0.646SS**  cis82.2128.543.1-58.9-25000111
1414L35.4Very low33.7Very low96 Ų96120.6 Ų120.650%0.50364%0.64SS.*  cis-136.9157.7-4.1-67107000107.9E460E460-L1414 HydrophobicContact CG-CD2 3.49Å; E460-L1414 VanDerWaalsContact CG-CD2 3.49Å; E460-L1414 WeakPolarHBondContact OE1-CD2 3.24Å
1415N36.1Very low33.8Very low127 Ų127122.1 Ų122.168%0.67964%0.637SS**  cis65.9151.748.1-159.735.3000115.9
1416S36.9Very low33.7Very low51 Ų51125.5 Ų125.536%0.35765%0.654SS.*  trans91.7114.6168.8-39.80000115.3L459L459-S1416 WeakPolarHBondContact CD1-OG 3.21Å; L459-S1416 WeakPolarHBondContact CD2-OG 3.44Å
1417N33.8Very low33.4Very low126 Ų126129 Ų12967%0.67468%0.677SS**  87.114467.1-74.8-1.6000112.6
1418S33.2Very low33.3Very low85 Ų85129.5 Ų129.559%0.59469%0.689SS**  cis-169.9-174.6-12.453.30000109.6
1419N34.3Very low33.4Very low141 Ų141127.3 Ų127.375%0.75469%0.686SS**  trans82.6135.3170.7-38.4-14.9000114
1420D29.4Very low33.7Very low239 Ų239129 Ų129100%1.27868%0.681SS**  cis-91.70-2.1-67.9-46.7000113.5

Retrieved 1,420 of 1,420 residues in 186.4 ms (Link to these results)