A0A061I375_CRIGR Loading...

Mitotic deacetylase associated SANT domain protein

AlphaFold DB , UniProt , Accession A0A061I375, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Mideas, Length 1,080 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
1M28.4Very low33Very low249 Ų249158.7 Ų158.7100%1.22785%0.849SS**  0-173.70-80.4174.3159.400109
2N30.4Very low32.8Very low163 Ų163159.6 Ų159.687%0.87284%0.84SS**  trans-62.8157.9-142.5-99.8-33.1000120.4
3L37.3Very low32.6Very low154 Ų154164 Ų16481%0.80684%0.838SS**  trans-91.2156173.7-55.6128.3000111.8
4Q31.1Very low32.5Very low197 Ų197165.7 Ų165.792%0.92184%0.837SS**  trans-177.7158141-108.2163.3-12.200110.2
5A29.5Very low32.1Very low95 Ų95171.1 Ų171.179%0.78584%0.843SS**  cis-146.4-1650.300000112.7
6Q33.2Very low31.9Very low185 Ų185168.1 Ų168.186%0.86484%0.842SS**  trans-105170.9-167.2-87.7-89.3-56.600115.1
7P51.1Low32.8Very low108 Ų108164.9 Ų164.970%0.70184%0.836SS**  trans-98.7-169.5-173.240.7-35.8000114.7
8K30.4Very low32.4Very low216 Ų216167.6 Ų167.694%0.93984%0.842SS**  trans-136.8168.7174-111.2177.1-179.61770113.4
9A30.4Very low32.2Very low105 Ų105161.9 Ų161.987%0.86883%0.83SS**  trans-104.9-175.5-156.600000116.7
10Q31.3Very low32.1Very low159 Ų159161 Ų16174%0.74383%0.827SS**  trans-94.6179.3-167.5-61.3-178.9-1800115.8
11N29.2Very low32Very low115 Ų115160.7 Ų160.762%0.61582%0.822SS**  trans90.2147.2150-65.5-51.7000117.9
12K30.7Very low32.1Very low169 Ų169155.5 Ų155.574%0.73580%0.799SS**  cis-177.6174.8-29.7-121.5-179.6-154.21400108.3
13R31Very low33Very low217 Ų217153.3 Ų153.382%0.81979%0.794SS**  trans72.5154.1168.9-65.2172.8171.7176.9-2.3114.3
14K30.7Very low32.6Very low188 Ų188151 Ų15182%0.81780%0.797SS**  cis-154.3155.5-4.7-124.8170.8-178.9-169.10109
15R26.5Very low32.5Very low246 Ų246147 Ų14793%0.92879%0.791SS**  trans-149.9125.9163.8-165-175.3-161.5-157.56.3110.3
16C29Very low32.5Very low124 Ų124151 Ų15184%0.83879%0.79SS**  trans-176.3166.3168.9-93.80000106.8
17P47.2Very low32.3Very low114 Ų114148.6 Ų148.674%0.7478%0.779SS**  -116-166.2-73.437-19.8000109.5
18F26.5Very low31.5Very low213 Ų213151.2 Ų151.293%0.93478%0.782SS**  trans-165.9160.5147.9-107.9-65.7000111.4
19G27.1Very low31.6Very low60 Ų60146.8 Ų146.862%0.61978%0.776SS**  trans-165.5174.4173.900000111.3
20D30.7Very low32.2Very low142 Ų142146.6 Ų146.676%0.75977%0.765SS**  trans70.7117171.8-82.6-56.6000122.1
21Q29.5Very low33Very low156 Ų156144 Ų14473%0.72976%0.762SS**  trans67.4130.1132.3-80.3171.895.600124.7
22D30.7Very low33.1Very low139 Ų139145.5 Ų145.574%0.74377%0.769SS**  trans93.7151.8132-77.513000123.5
23P50.6Low32.9Very low117 Ų117146.5 Ų146.576%0.7677%0.774SS**  trans-127.6165.5-144.943-29.3000116.3
24A27.6Very low32.9Very low107 Ų107140.7 Ų140.788%0.88477%0.772SS**  trans-158.6159.2150.900000111.5
25S30.3Very low33.4Very low112 Ų112137.4 Ų137.478%0.78377%0.77SS**  trans-109.7149-175.955.80000113.4
26K29.8Very low34.6Very low179 Ų179130 Ų13078%0.77875%0.754SS**  trans-161.7145.2144.8-113.7176.6171.1-92.90114.8
27E28.8Very low34.7Very low135 Ų135132.8 Ų132.863%0.63176%0.755SS**  trans35.7111.6154.5-73.9146.4142.400123.5
28Q33.3Very low33.9Very low162 Ų162132.1 Ų132.176%0.75775%0.753SS**  60.3132107.6-157.7-174.323.300121.7
29P33.8Very low34.1Very low124 Ų124129 Ų12981%0.80575%0.745SS**  trans-135.3137.8149.737.7-24.1000115.6
30P42Very low34.1Very low101 Ų101138.2 Ų138.266%0.65676%0.761SS**  trans-132.1-178.8142.439.4-27.5000110.9
31P49.1Very low34.3Very low104 Ų104135.3 Ų135.368%0.67576%0.757SS**  cis-131-175.8-40.837.9-21.5000113.2
32L29.7Very low34.4Very low146 Ų146135.3 Ų135.376%0.76475%0.754SS**  trans65.7126.5152.9-72.9163.4000122.9
33K27.1Very low34.2Very low190 Ų190134.8 Ų134.883%0.82675%0.748SS**  trans41116.4143.1-65.3-177.7176.8-178.90122.1
34A31Very low33.1Very low96 Ų96137 Ų13779%0.79375%0.748SS**  27.6158.2125.800000121.9
35P42.2Very low33Very low118 Ų118139.9 Ų139.977%0.76674%0.743SS**  cis-142.1-134.124.243.9-20.8000112
36P51.8Low32.8Very low91 Ų91144.2 Ų144.259%0.59174%0.744SS**  cis-133.2-179.3-32.339.6-22.6000116.1
37Q31Very low32.6Very low182 Ų182143.7 Ų143.785%0.8574%0.744SS**  trans70.5150.9145.2-81165.717.100120.4
38S28.8Very low32.4Very low100 Ų100141.1 Ų141.170%0.69975%0.746SS**  cis-169.6-178.5-9.165.50000109.8
39L31.4Very low32.1Very low149 Ų149141.2 Ų141.278%0.7875%0.746SS**  cis-161139.8-7.1-138.2172.1000109.7
40R27.3Very low31.7Very low252 Ų252143.5 Ų143.595%0.95175%0.746SS**  trans-155.8149.1134.2-126.3176-176.91711.5111.1
41A34.6Very low30.9Very low81 Ų81143.7 Ų143.767%0.66976%0.756SS**  trans-100-176.9-165.600000111.8
42K31.3Very low29.8Very low156 Ų156143.8 Ų143.868%0.67877%0.766SS**  cis-166.9159.128.2-154.5172.7160.3-109.80112
43E27.8Very low29.6Very low129 Ų129140.2 Ų140.260%0.60376%0.764SS**  trans62.8143161.8-78.7143.2155.600119.4
44E27Very low29.8Very low164 Ų164138.4 Ų138.477%0.76677%0.769SS**  cis-161.1162.5-23.7-137.8166.3-166.200112.1
45Q25.6Very low29.5Very low166 Ų166138.1 Ų138.178%0.77677%0.766SS**  trans64.398153.1-151.5159.9-600122.3
46Y26.4Very low28.7Very low204 Ų204137.5 Ų137.580%0.877%0.765SS**  33144.6111.1-77.7-109.4000119.7
47E23.7Very low27.6Very low167 Ų167139.3 Ų139.378%0.7877%0.774SS**  cis-164.8179.218.1-150.3164.2168.400114.3
48A25.6Very low27.5Very low81 Ų81136.2 Ų136.267%0.66977%0.768SS**  trans72.9107.214200000123.8
49H27.3Very low27.5Very low164 Ų164138.9 Ų138.976%0.75977%0.769SS**  52.6123.8113.9-91.8-107.7000124.5
50E24.5Very low28.2Very low172 Ų172136.7 Ų136.780%0.80476%0.764SS**  73.7168.1129.4-90.5-173.8110.200124.5
51A26.1Very low28.4Very low105 Ų105130.7 Ų130.787%0.86876%0.755SS**  trans78.2158.9166.200000119
52A26.5Very low28.1Very low107 Ų107134 Ų13488%0.88476%0.756SS**  trans-124.8159.6179.700000109.9
53G25.2Very low28.1Very low71 Ų71133.6 Ų133.673%0.73276%0.761SS**  trans124.599163.700000116.4
54V30Very low28.9Very low152 Ų152132.7 Ų132.792%0.92177%0.766SS**  trans18.3115.5135.4-1730000118.6
55A25.2Very low29.9Very low89 Ų89130.6 Ų130.674%0.73677%0.767SS**  trans-165.1118.5141.200000114.6
56S26.5Very low31.3Very low106 Ų106127.8 Ų127.874%0.74176%0.763SS**  49.4137.8124-51.80000124.7
57T27.4Very low31.4Very low128 Ų128125.7 Ų125.779%0.78577%0.766SS**  trans71.6130.4132-65.30000118.2
58T28.9Very low31.7Very low118 Ų118121.9 Ų121.972%0.72476%0.758SS**  cis-154.4156.3324.80000107.6
59Q29.4Very low31.9Very low155 Ų155125 Ų12572%0.72476%0.762SS**  53.3154.465.1-72.7-91.3-2.700114.5
60P45.8Very low32Very low103 Ų103122.6 Ų122.667%0.66976%0.76SS**  cis-99.6-155.6-2.722.5-0.2000111.8
61V31.3Very low32.4Very low127 Ų127121.9 Ų121.977%0.7776%0.76SS**  cis-153.3146.615.5178.30000107.8
62E28.6Very low32.7Very low149 Ų149123.5 Ų123.570%0.69675%0.754SS**  cis-160.6-104.3-28.3-166.9-167.4106.300110.4
63L32.4Very low32.9Very low148 Ų148125 Ų12578%0.77575%0.746SS**  trans-152.6-168.8-162.8-67.4171.7000109.7
64P43.5Very low33.2Very low110 Ų110126 Ų12671%0.71474%0.743SS**  cis-135.4-152.11.135.6-9000113.3
65P48.1Very low33Very low120 Ų120125.2 Ų125.278%0.77974%0.738SS**  -131.7-132.8-74.648.3-31.1000114
66P54.3Low33.2Very low107 Ų107126 Ų12670%0.69573%0.733SS**  trans-121.5-163.4-149.237.6-12.7000114.1
67N29.3Very low33.3Very low161 Ų161131.7 Ų131.786%0.86174%0.74SS**  trans-172.4-174.2136.2-105.5-34.6000116.7
68S29.5Very low33.3Very low86 Ų86128.6 Ų128.660%0.60173%0.734SS**  trans-122.1173.1-150.560.30000115.7
69L31.1Very low33.2Very low146 Ų146128.2 Ų128.276%0.76474%0.736SS**  trans70.9122.5147.6-71.7164.8000123.1
70T28.9Very low33.1Very low115 Ų115127.4 Ų127.471%0.70673%0.732SS**  trans78151.313155.10000124.8
71L31.9Very low32.4Very low156 Ų156132.2 Ų132.282%0.81774%0.737SS**  trans99.8147.9159.3-57.1177000117.6
72L33.2Very low32.3Very low140 Ų140131.4 Ų131.473%0.73373%0.732SS**  -172.2162.6-64.4-113.2175.6000109.1
73N29.9Very low32.2Very low137 Ų137130.6 Ų130.673%0.73374%0.738SS**  trans73.7145.9163.3-71.6-46.3000119.6
74S32.2Very low32Very low94 Ų94127.6 Ų127.666%0.65773%0.734SS**  cis-173.1-177.8-22.5-111.50000112.1
75V26.2Very low31.4Very low134 Ų134128.4 Ų128.481%0.81274%0.737SS**  trans86.5105.6175.4-173.60000113.9
76V29.3Very low30.6Very low106 Ų106130.5 Ų130.564%0.64274%0.739SS**  cis70.3126.67.4-1740000114.5
77Y28.4Very low29.6Very low226 Ų226132.9 Ų132.989%0.88674%0.744SS**  cis-113.6-174.714.6-66.3-87.4000112.6
78G26.5Very low29.7Very low63 Ų63128.9 Ų128.965%0.64973%0.729SS**  cis128.5150.5-5.600000114.5
79S27.5Very low29.8Very low110 Ų110132.9 Ų132.977%0.76974%0.739SS**  trans70.4151.6168.7-63.50000118.4
80E28Very low29.8Very low138 Ų138134.1 Ų134.165%0.64574%0.74SS**  cis-165169.9-26.1-130.4178-95.700111.3
81R31.3Very low29.9Very low204 Ų204132.8 Ų132.877%0.7774%0.741SS**  trans68.2111.7145-82-171.1-155.7-136.9-2.6125.7
82T27.6Very low29.7Very low109 Ų109134.1 Ų134.167%0.66974%0.743SS**  71.3132.7116.861.30000125.9
83T27.9Very low29.5Very low133 Ų133133.3 Ų133.382%0.81674%0.743SS**  trans83.8156.3131.549.90000123.8
84A27.4Very low29.3Very low84 Ų84136 Ų13669%0.69475%0.749SS**  trans73.5122.7170.200000116.7
85T31Very low29.1Very low127 Ų127142.4 Ų142.478%0.77976%0.758SS**  cis95.2134.329.865.80000116.5
86M30.8Very low30Very low165 Ų165142 Ų14281%0.81376%0.759SS**  trans90.2110.6156.3-69.5-58.6170.800122.3
87L34Very low30Very low156 Ų156144.1 Ų144.182%0.81777%0.766SS**  78.4134.5118-149.579.1000121.5
88S31.8Very low30.1Very low77 Ų77139 Ų13954%0.53876%0.764SS.*  139.5114.4116.1-173.90000118.8
89Q31.6Very low30.2Very low171 Ų171142.6 Ų142.680%0.79977%0.773SS**  trans61.8173.8141.1-68179.188.900121.7
90Q31.3Very low30.3Very low172 Ų172145.9 Ų145.980%0.80478%0.778SS**  -166.2140.9-61.5-134-179-6.700113.2
91A29.2Very low30.3Very low86 Ų86143.3 Ų143.371%0.71178%0.781SS**  trans71161.9142.100000124.7
92Q28.2Very low30.9Very low185 Ų185139.7 Ų139.786%0.86478%0.784SS**  trans78.6151.8161.9-61.1-162.4-7900121.1
93V29.6Very low31Very low122 Ų122138 Ų13874%0.73979%0.788SS**  cis-179.2158.4-43.2127.90000110.8
94K25.3Very low31.2Very low195 Ų195144.1 Ų144.185%0.84880%0.796SS**  trans112.5143.4148.6-119.6169.9-173.5175.70120.7
95W28.6Very low31.2Very low227 Ų227144 Ų14486%0.8680%0.802SS**  trans-108.7167.9170.8-77.987.5000110.8
96P44.6Very low31.1Very low127 Ų127145.9 Ų145.983%0.82581%0.807SS**  -147.2-174.4105.138.3-20.8000116.2
97N29.3Very low31Very low149 Ų149144.2 Ų144.280%0.79780%0.797SS**  trans-97.4170-168.2-96.4-46.2000116.3
98S29.9Very low30.8Very low120 Ų120147.2 Ų147.284%0.83980%0.798SS**  trans-154.9162.9168.1-740000111.6
99V29.8Very low30.5Very low137 Ų137147.3 Ų147.383%0.8381%0.811SS**  trans-160.5176.8-166.299.30000115
100M29.3Very low30.3Very low179 Ų179143.2 Ų143.288%0.88281%0.814SS**  trans94.8155.5172.5-73.4-57.8176.900121
101A28.9Very low30.1Very low85 Ų85138.4 Ų138.470%0.70281%0.812SS**  trans-139-159.6174.500000107.5
102P43.8Very low30.2Very low128 Ų128142.4 Ų142.483%0.83182%0.819SS**  cis-143.3168.2-6.542.7-24000118.3
103G29.4Very low30.3Very low73 Ų73138.3 Ų138.375%0.75381%0.811SS**  99.6144.5129.100000124.5
104R30.6Very low30.3Very low261 Ų261139.4 Ų139.499%0.98581%0.813SS**  trans78.3141.6162.3-50.3-168.7-160.6-93.98121.1
105G28.4Very low30.7Very low81 Ų81135.2 Ų135.284%0.83581%0.808SS**  trans170150.9162.200000114.1
106L27.9Very low30.7Very low168 Ų168128 Ų12888%0.8880%0.803SS**  trans-153163179.2-168.771.4000111.8
107E29.4Very low29.8Very low129 Ų129133 Ų13360%0.60381%0.806SS**  trans96.7136.3162.9-75.2-7467.300120.4
108R29.3Very low29.8Very low219 Ų219134.6 Ų134.683%0.82681%0.809SS**  trans8.8146.5157.8-52.7175.1-156-122-8.3121.9
109G26.4Very low29.8Very low80 Ų80135.7 Ų135.783%0.82580%0.801SS**  trans163.9123.3141.500000112.1
110G26.2Very low29.7Very low84 Ų84136.4 Ų136.487%0.86680%0.795SS**  trans-113.1145-176.800000114
111G28.6Very low30.1Very low72 Ų72133.9 Ų133.974%0.74279%0.792SS**  trans112.1151.9140.800000118.9
112I30.2Very low30.2Very low170 Ų170132.9 Ų132.987%0.87279%0.79SS**  trans84.7148.1156.3-52.6166.4000116.5
113S31.8Very low29.6Very low99 Ų99135.8 Ų135.869%0.69279%0.792SS**  trans-48.2172.1173.7-35.80000114.3
114D28.5Very low30Very low145 Ų145137.3 Ų137.378%0.77579%0.789SS**  cis-161.2-160.330.6-147.4-71.5000112
115S34.3Very low30.5Very low107 Ų107130.4 Ų130.475%0.74878%0.778SS**  trans-79.5160.9-178.855.80000115.2
116G27.5Very low31Very low74 Ų74132.4 Ų132.476%0.76378%0.776SS**  trans170.491.517200000118.9
117W26Very low31.1Very low233 Ų233133.2 Ų133.288%0.88378%0.775SS**  trans-27.1144.2161.5-62.685.2000120.6
118Q30.3Very low31.9Very low182 Ų182131.8 Ų131.885%0.8578%0.777SS**  165.3165.6120.7-90.6-170.25.800111.3
119Q28.4Very low32Very low144 Ų144124.8 Ų124.867%0.67377%0.766SS**  -172.1125.5-53-129-151.592.500109.5
120Q29.2Very low32.2Very low152 Ų152130.2 Ų130.271%0.7176%0.762SS**  trans57.5178.8145.1-69.2-65.6-26.900118
121P37.8Very low32.3Very low126 Ų126132.7 Ų132.782%0.81876%0.755SS**  cis-118.8165.1-5.940.5-27.5000115.6
122G29.8Very low32.4Very low63 Ų63135.6 Ų135.665%0.64975%0.749SS**SBendtrans156.645.3153.200000122.8
123Q31.3Very low32.4Very low189 Ų189134.5 Ų134.588%0.88374%0.744SS**  trans172.4161.4138.3-87.4-104.2-22.400112.2
124P39Very low32.9Very low106 Ų106134.9 Ų134.969%0.68874%0.744SS**  trans-117.5-157.7-163.350-36.6000112
125P40.7Very low33.1Very low116 Ų116135.7 Ų135.775%0.75375%0.748SS**  -126.2177.8-126.628.5-3000116.1
126P39.4Very low32.9Very low123 Ų123141.5 Ų141.580%0.79976%0.755SS**  trans-138.8143.1136.235.8-22.7000115.7
127H29.2Very low32.9Very low185 Ų185143.2 Ų143.286%0.85676%0.755SS**  trans-166.3179.6177.7-98.5-20.2000107.9
128P46Very low32.9Very low98 Ų98135.6 Ų135.664%0.63675%0.749SS**  cis-84.9-135.3-10.537.6-35.6000110.3W130P128-W130 HydrophobicContact CB-CZ2 4.22Å
129A31.9Very low33.8Very low73 Ų73132.9 Ų132.960%0.60375%0.747SS**  cis-163.2178.1-4.800000107.1
130W30.3Very low33.9Very low194 Ų194136.5 Ų136.574%0.73576%0.76SS**  cis-166148.1-40.2-82-32.8000104.4P128 H132P128-W130 HydrophobicContact CB-CZ2 4.22Å; W130-H132 AromaticContact CD1-NE2 3.74Å; W130-H132 AromaticContact NE1-NE2 3.99Å
131N28.4Very low33.8Very low135 Ų135132.9 Ų132.972%0.72276%0.764SS**  -158.4143.959.8-83-82.6000107.8
132H30.9Very low33.5Very low133 Ų133132.3 Ų132.362%0.61676%0.763SS**  60.4133.173.2-57.9-55.3000112.8W130W130-H132 AromaticContact CD1-NE2 3.74Å; W130-H132 AromaticContact NE1-NE2 3.99Å
133L29.2Very low33.9Very low148 Ų148135.2 Ų135.278%0.77577%0.771SS**  cis-151.4-159.411.7-148.270.8000111.6
134P42.7Very low34Very low106 Ų106134.9 Ų134.969%0.68877%0.769SS**  -125-176.1-109.145.2-29.8000118.1
135L32Very low33.9Very low162 Ų162135.9 Ų135.985%0.84878%0.775SS**  trans-58.3162.3159.3-67.4134.1000113.6
136Y30.2Very low33.3Very low230 Ų230133.6 Ų133.690%0.90277%0.772SS**  trans-147.4157.4143.6-126.9-84.6000113
137S28Very low32.7Very low109 Ų109134.9 Ų134.976%0.76278%0.778SS**  trans-143.5147.8174.564.50000110.8
138G27.3Very low32.5Very low74 Ų74129.4 Ų129.476%0.76377%0.771SS**  trans130.1162.1170.500000115.3
139P48.8Very low31.6Very low124 Ų124131.1 Ų131.181%0.80578%0.78SS**  trans-126.8151.9-156.539.5-24.9000116.3
140K29.2Very low31.7Very low220 Ų220133.1 Ų133.196%0.95779%0.79SS**  trans176.3156.7142.2-102.1161.7-176.9178.40111.1
141G28.4Very low32Very low77 Ų77128.2 Ų128.279%0.79478%0.782SS**  trans114.593.4160.600000116.2
142S31.7Very low31.9Very low113 Ų113131.6 Ų131.679%0.7979%0.787SS**  trans-84149.6147.9-51.40000108.2
143P37.3Very low31.8Very low124 Ų124135 Ų13581%0.80580%0.795SS**  -140.715787.137.7-24.1000115.2
144H33.5Very low31.6Very low182 Ų182134.8 Ų134.884%0.84380%0.795SS**  trans-81.5151.7157.7-61.3-76.8000109.3
145P37.6Very low31.3Very low128 Ų128137.9 Ų137.983%0.83180%0.8SS**  -150.4-177.392.739.6-22.2000114.9
146G27.4Very low31.8Very low67 Ų67135.8 Ų135.869%0.69180%0.796SS**  trans84.5110.6173.500000113.3
147V26Very low31.6Very low150 Ų150133.4 Ų133.491%0.90979%0.793SS**  cis73.3102.718.5-168.10000115
148G26.5Very low31.9Very low70 Ų70132.6 Ų132.672%0.72279%0.793SS**  trans85.3164.2163.600000115.7
149V26.3Very low32.1Very low134 Ų134137.6 Ų137.681%0.81280%0.802SS**  cis-146.2139.3-10.41750000107.6
150S33.9Very low31.2Very low116 Ų116141.7 Ų141.781%0.81181%0.807SS**  trans-86.4131.4166.2170.60000109.8
151P36.3Very low31.3Very low90 Ų90134.8 Ų134.858%0.58480%0.798SS**  trans-153.1173.3134.242.2-26.2000117.5
152Y26.1Very low31.2Very low207 Ų207137.1 Ų137.181%0.81280%0.802SS**  trans65.298.5154.5-67-59.1000122.5
153Y28.8Very low31.3Very low204 Ų204139.2 Ų139.280%0.880%0.797SS**  25.8123.8101.8-115.3-98.1000118
154N25.3Very low31.8Very low144 Ų144139.6 Ų139.677%0.7780%0.799SS**  -175.6160.7105.3-101.6-63.6000114.7
155H36.8Very low31.5Very low170 Ų170133.4 Ų133.479%0.78779%0.785SS**  trans-84.3163164.2-103.8-76.9000110.4
156P42Very low31.4Very low119 Ų119130.2 Ų130.277%0.77378%0.775SS**  -140.8-144.49638.6-21.9000113.5
157E27.3Very low32.6Very low180 Ų180131.6 Ų131.684%0.84177%0.772SS**  trans-130.7165.4-148.7-56.8170.391.600115.8
158A33.8Very low33.1Very low92 Ų92132.1 Ų132.176%0.7676%0.764SS**  trans64.1135.7141.900000122.6
159L31.7Very low33.5Very low179 Ų179135.4 Ų135.494%0.93776%0.764SS**  -163.2176.1112.5-104.9165.3000112.5
160K30.1Very low33.8Very low210 Ų210134.8 Ų134.891%0.91376%0.757SS**  trans-128.6157.6-166.3-71.3177.7176.1172.70114
161G29.7Very low33.9Very low74 Ų74136 Ų13676%0.76375%0.749SS**  trans170.4148.9149.400000112.6
162S27.2Very low33.6Very low127 Ų127141.3 Ų141.389%0.88876%0.759SS**  cis-159.5166.1-22.142.70000110.4
163K33Very low33.7Very low157 Ų157134 Ų13468%0.68375%0.746SS**  trans-88.4178.6-176.1-111.6-176.7-174.1-166.90111.3G165K163-G165 WeakPolarHBondContact CD-O 3.33Å; K163-G165 WeakPolarHBondContact CE-O 3.33Å; K163-G165 PolarHBondContact NZ-O 3.33Å
164P48.4Very low33.9Very low131 Ų131131 Ų13185%0.85174%0.744SS**  cis-128.6167.330.437.4-19.1000116.9
165G28.3Very low34.2Very low53 Ų53129.6 Ų129.655%0.54674%0.741SS.*  cis-116.8-161.610.300000116.4K163K163-G165 WeakPolarHBondContact CD-O 3.33Å; K163-G165 WeakPolarHBondContact CE-O 3.33Å; K163-G165 PolarHBondContact NZ-O 3.33Å
166G35.1Very low33.9Very low60 Ų60127.3 Ų127.362%0.61974%0.739SS**  cis118.3117-15.600000114.5
167P51.9Low33.3Very low96 Ų96130 Ų13062%0.62374%0.741SS**  cis-69.1-92.5-14-6.221.4000111.9
168Q36Very low35Very low162 Ų162126.9 Ų126.976%0.75774%0.736SS**  cis-169.4134.6-25.6-160.1158.7-8.600106
169L36.3Very low34.7Very low138 Ų138131.2 Ų131.272%0.72374%0.743SS**  cis-144-169.2-23.8-144.557.8000104.2
170D31.6Very low34.8Very low121 Ų121129 Ų12965%0.64774%0.737SS**  cis-157.8-168.73.8-151.3-24000109.4
171H35.5Very low36.4Very low142 Ų142124.3 Ų124.366%0.65773%0.727SS**  trans-82.6162.1174.9-51.581000111.8
172Y31.4Very low36.7Very low202 Ų202128.2 Ų128.279%0.79273%0.726SS**  cis-165.6170.7-12.7-112.2-170.9000107.6
173G28Very low37.1Very low52 Ų52129.2 Ų129.254%0.53671%0.714SS.*  cis127.9122.2-3.500000114.2
174N32Very low37.2Very low142 Ų142128.4 Ų128.476%0.75972%0.715SS**  trans67.9164.3156.8-71.2-10.4000119.6
175T32.3Very low36.4Very low115 Ų115128.5 Ų128.571%0.70670%0.704SS**  cis-175-156.9-47.938.70000107.9
176V30.5Very low36.8Very low122 Ų122132 Ų13274%0.73971%0.71SS**  trans78.7142.1165.1171.90000116.5
177Q29.3Very low36.5Very low174 Ų174136.6 Ų136.681%0.81372%0.715SS**  cis-158.7173.5-19.3-107.4-1804.800111.2
178P62.9Low35.5Very low116 Ų116138.4 Ų138.475%0.75372%0.724SS**  trans-113-178.9-176.842.5-34.2000116
179M27Very low35Very low183 Ų183134.3 Ų134.390%0.90173%0.725SS**  trans-149.7174168.7-110177.874.500115.2
180V35.2Very low34.7Very low133 Ų133138.5 Ų138.581%0.80673%0.731SS**  trans-120.6-142.7-141.3-76.60000118
181P63.5Low35.8Very low110 Ų110137.7 Ų137.771%0.71473%0.732SS**  -136.7-152.1-107.747.2-27.3000117.7
182Q34.6Very low35.3Very low157 Ų157138.9 Ų138.973%0.73474%0.738SS**  trans113.6153.3163.4-63.8-159.127.200117.6
183K35.6Very low35.2Very low148 Ų148133.3 Ų133.364%0.64373%0.734SS**  cis-167.3155-9.5-117.4-168.7-174.8-175.30115.1
184M35.3Very low36.3Very low139 Ų139136 Ų13669%0.68574%0.742SS**  trans38.2158.5132-68.1172168.700123.9
185Q31.5Very low36.2Very low134 Ų134136.2 Ų136.263%0.62674%0.742SS**  cis-172.9172.3-11.1-115.1176.6-119.700114.2
186L36.7Very low36.1Very low127 Ų127137.2 Ų137.267%0.66574%0.743SS**  trans69.1171155.5-8527.3000119.4
187E29.5Very low36.1Very low155 Ų155135.5 Ų135.572%0.72474%0.737SS**  cis-144.9-136.112.4-159.247.6-79.800115.7
188V30.9Very low36.2Very low135 Ų135135.4 Ų135.482%0.81873%0.734SS**  trans-133.5155-157.1158.60000116.6
189G25.5Very low34.8Very low75 Ų75138.5 Ų138.577%0.77374%0.738SS**  trans178.7140.8162.200000118.4
190R29.1Very low34.8Very low226 Ų226133.8 Ų133.885%0.85374%0.736SS**  trans-152177.1174.3-129.8-153.5160.4-176.5-4.9108.7
191P55.5Low34.4Very low104 Ų104132 Ų13268%0.67574%0.736SS**  cis-115.9-147.717.723.63.7000111.6
192Q26.1Very low32.7Very low168 Ų168137.1 Ų137.179%0.78575%0.746SS**  cis-138.6-133.47-60.3-176.32200112.8
193A29Very low32.2Very low84 Ų84139.4 Ų139.469%0.69475%0.754SS**  trans-166.4-155.1-17300000108.2
194P50.1Low32.8Very low109 Ų109137.6 Ų137.671%0.70876%0.757SS**  cis-143.8156.3-6.327.1-1.1000120.4
195L30.3Very low32.8Very low147 Ų147136.1 Ų136.177%0.7776%0.758SS**  trans67.7129.7133-63.3170.1000126.2
196N30.2Very low32.5Very low135 Ų135136.4 Ų136.472%0.72276%0.764SS**  73.8158.7129.2-71.4-2.7000123.4
197S30.3Very low32Very low87 Ų87137.9 Ų137.961%0.60877%0.767SS**  cis-176.3-177.8-26.4-173.80000111.3
198F30.8Very low31.8Very low171 Ų171135.4 Ų135.475%0.7576%0.763SS**  trans90.2114.1159.2-74.9-82.7000123.3
199H33.7Very low31.6Very low182 Ų182136.3 Ų136.384%0.84376%0.762SS**  trans26.8136.7131.8-68.8-113.9000122.1
200G27.8Very low32Very low83 Ų83137.8 Ų137.886%0.85676%0.758SS**  trans-176.6148.5160.200000113.9
201A26.8Very low32.1Very low97 Ų97135.8 Ų135.880%0.80276%0.763SS**  trans-133.1177.9-17200000113.8
202K26.6Very low30.8Very low216 Ų216139.2 Ų139.294%0.93977%0.771SS**  trans80.3-175164.5-64.1-178.3176.5176.80117.5
203K25.6Very low31.3Very low206 Ų206134.9 Ų134.990%0.89676%0.757SS**  trans-109.2-168.5-149.4-122.5-171-179.3179.70110.8
204P47.1Very low31.3Very low110 Ų110139.9 Ų139.971%0.71476%0.763SS**  trans-78.4-177.4-153.842.5-42.9000113.4
205P36.6Very low30.2Very low107 Ų107142.5 Ų142.570%0.69577%0.766SS**  cis-148.2-169.324.845.4-23.9000118.8
206N23.7Very low30.2Very low140 Ų140142.9 Ų142.975%0.74977%0.768SS**  trans23.9136.2145.8-71.8-17.6000119.3
207Q27.1Very low29.9Very low159 Ų159140.7 Ų140.774%0.74377%0.769SS**  cis-157.1-155.915.8-127.6-173.2119.300109.3
208T25.9Very low29.6Very low103 Ų103145.8 Ų145.863%0.63278%0.78SS**  cis-160.4159.916.9-22.90000110.7
209L26.1Very low29.3Very low153 Ų153141 Ų14180%0.80178%0.779SS**  trans68.2149159.9-61178.8000120
210P33.1Very low29Very low106 Ų106139.7 Ų139.769%0.68877%0.773SS**  cis-133.8120.2-2633-14.5000113.7
211L31.1Very low29.3Very low184 Ų184143.5 Ų143.596%0.96377%0.768SS**  trans-137.2109.3151.8-80.4-177.7000110.7
212Q28.7Very low29.3Very low177 Ų177145.3 Ų145.383%0.82776%0.762SS**  trans-103.7176.3170.1-117.9-161.92.600107.7
213P37.6Very low29.5Very low76 Ų76142.7 Ų142.749%0.49476%0.758SS.*  cis-129.5-167.6-47.623.6-0.3000111.1
214F28.1Very low30Very low190 Ų190140.1 Ų140.183%0.83374%0.743SS**  trans62.9131.1160.2-57.7-55.1000118.2
215Q27.3Very low29.1Very low163 Ų163142 Ų14276%0.76274%0.742SS**  cis69.6120.77.9-123.9-17042.800116.9
216L29.5Very low28.8Very low156 Ų156142 Ų14282%0.81774%0.74SS**  trans66.8164.1-176.2-67.866000112.4
217A24.7Very low29Very low89 Ų89144.2 Ų144.274%0.73674%0.743SS**  cis-144175.17.800000114.3
218F23.6Very low29.1Very low194 Ų194146.1 Ų146.185%0.85174%0.744SS**  trans-53.7144.3167.1-78-118.2000116.2
219G24.2Very low29.3Very low70 Ų70149.2 Ų149.272%0.72275%0.751SS**  trans58.6-167.7150.200000116.6
220H27.4Very low29.4Very low154 Ų154145.3 Ų145.371%0.71375%0.748SS**  cis-131156.4-24.2-78.6-101.1000105.2
221Q34.6Very low29.6Very low163 Ų163146.6 Ų146.676%0.76276%0.756SS**  -157.7143.858.2-68.5-79.65.800106.9
222M27.5Very low29.8Very low136 Ų136146 Ų14667%0.6775%0.749SS**  cis63.387.939.5-71-69.5176.300115.9R224M222-R224 HydrophobicContact CB-CG 4.23Å
223N30.8Very low30.6Very low160 Ų160142.8 Ų142.886%0.85674%0.743SS**  -107.384.6123.2-158.59.4000105.4
224R34.7Very low29.9Very low153 Ų153144.1 Ų144.158%0.57775%0.754SS**  56.9128.294.4-64.1-16584.6-97.4-6.9111.7M222M222-R224 HydrophobicContact CB-CG 4.23Å
225Q29.4Very low30.2Very low148 Ų148142.8 Ų142.869%0.69276%0.756SS**  cis-144.6179.113.1-46.3-176.4114.500109.5
226V29.6Very low30.7Very low108 Ų108140.7 Ų140.766%0.65576%0.756SS**  cis-160.6148.2-6.8103.50000109.4
227F28.1Very low30.7Very low187 Ų187139.8 Ų139.882%0.8276%0.757SS**  trans58.2162.9164.1-84.2-132.5000119.5
228R30.1Very low30.8Very low199 Ų199139.8 Ų139.875%0.75176%0.757SS**  cis-154169.2-48.3-148.4-166.4-177.1-91.71.2109
229Q29.6Very low30.9Very low167 Ų167135.1 Ų135.178%0.7875%0.749SS**  trans-78.5157.6-173-57.6153.4-20.700115
230G27.7Very low31.2Very low72 Ų72141.5 Ų141.574%0.74276%0.757SS**  trans-160.3141.3159.900000111
231P36.6Very low32.4Very low132 Ų132139.3 Ų139.386%0.85776%0.757SS**  trans-105174-167.240.5-36.6000116.2
232Q35.6Very low33.6Very low172 Ų172137.1 Ų137.180%0.80476%0.756SS**  trans-56.5164.8156.5-71.4-82.3-17.600111.9
233P45.4Very low33.7Very low109 Ų109137.9 Ų137.971%0.70876%0.758SS**  cis-132.6-178.97.942.5-27.2000115.2
234S24.6Very low33.4Very low105 Ų105137.6 Ų137.673%0.73475%0.75SS**  trans173.8146.9135.346.80000113.9
235N34.3Very low33.1Very low162 Ų162138.2 Ų138.287%0.86676%0.759SS**  trans-85.7146.8147-82.9-22.6000107.1
236P37.9Very low34.2Very low118 Ų118136.3 Ų136.377%0.76676%0.759SS**  -146.4171.6101.339.4-24.8000116.7
237T28.1Very low35.2Very low137 Ų137136.1 Ų136.184%0.8476%0.76SS**  trans-46.5169.3166.5-41.60000116.1
238A27.2Very low35.5Very low89 Ų89134 Ų13474%0.73675%0.753SS**  trans93.4159.6161.100000117.6
239S25.4Very low35.7Very low96 Ų96131.6 Ų131.667%0.67175%0.75SS**  -176.4117.1-61.849.20000111.4
240F31.3Very low35.8Very low204 Ų204131.2 Ų131.290%0.89575%0.748SS**  trans61.4-176.2165-68.1-77000116.1
241P53Low37Very low109 Ų109133.3 Ų133.371%0.70875%0.749SS**  -128.6-131.3-90.138.7-18.1000112.6
242P59.2Low36.8Very low116 Ų116131.2 Ų131.275%0.75374%0.743SS**  -102.3-162.6-82.736.7-18.9000112.9
243Q28.8Very low36.8Very low152 Ų152127.7 Ų127.771%0.7174%0.743SS**  trans154.1119130.5-179.1153.5-98.600118.6
244K25.7Very low36.2Very low155 Ų155130.4 Ų130.467%0.67475%0.748SS**  trans70.2118.2140.8-81.5172.1-164.61510127.4
245Q27Very low36.5Very low166 Ų166130.5 Ų130.578%0.77675%0.749SS**  88.9174.5112.3-105.9174.3-2100122.6
246P53.5Low36.4Very low108 Ų108130 Ų13070%0.70174%0.741SS**  trans-122.6-140.8-134.342.7-18.9000112
247P51Low36.4Very low103 Ų103131.7 Ų131.767%0.66974%0.741SS**  cis-127.9-138.3-8.628.20.6000112.4
248Q32.7Very low36.7Very low144 Ų144132.5 Ų132.567%0.67374%0.735SS**  cis-168153.73.6-150.7163.6-98.800113.5
249Q34.6Very low37.2Very low148 Ų148133.8 Ų133.869%0.69273%0.729SS**  trans60.5165.5152-87.1160.7-1800120.8
250Q31.4Very low37.5Very low159 Ų159137.1 Ų137.174%0.74373%0.732SS**  cis-175.8-177.6-33.4-115-163.9-15.100107.9
251P52.9Low37.6Very low115 Ų115134.1 Ų134.175%0.74772%0.721SS**  cis-106.4-121.90.418.67.1000112.5
252A34Very low36.5Very low89 Ų89133.5 Ų133.574%0.73671%0.712SS**  cis-166.1-171.50.100000112.4
253A35.1Very low35.1Very low98 Ų98137 Ų13781%0.8172%0.715SS**  trans81.3-178161.400000119.6
254M33.4Very low35.1Very low165 Ų165138.6 Ų138.681%0.81372%0.716SS**  trans-137.2-156.4-171.3-59.2-170.2-69.900108.7
255S30.6Very low36.2Very low107 Ų107136.7 Ų136.775%0.74872%0.719SS**  cis-170166.613.826.70000109.1
256Q31.7Very low36.5Very low152 Ų152136 Ų13671%0.7172%0.718SS**  cis-174.1114.1-20.7171.7-179.4-2500110.4
257M38.5Very low35.5Very low154 Ų154138.4 Ų138.476%0.75972%0.719SS**  trans67.2147158.4-59.4-40172.500120.3
258Q34.1Very low34.6Very low153 Ų153141.1 Ų141.172%0.71572%0.723SS**  cis-159.4169.31.5-121164.9-97.900109.3
259L36.8Very low35.6Very low117 Ų117139.7 Ų139.761%0.61373%0.727SS**  cis-123.9-58.6-0.3-99.6165.5000111.8
260F33Very low35.9Very low165 Ų165138.9 Ų138.972%0.72473%0.734SS**  -142.3168.1-95.9-115.1178.6000108.6
261E33.4Very low35.9Very low141 Ų141135.6 Ų135.666%0.65973%0.729SS**  -167.3162.5-56.6-116.8-169.5-117.700108.6
262N29.6Very low35Very low97 Ų97137.5 Ų137.552%0.51973%0.728SS.*  cis-125-105.3-10.2-161.2-42.3000109.8Y264N262-Y264 WeakPolarHBondContact OD1-CD2 3.37Å; N262-Y264 WeakPolarHBondContact OD1-CE2 3.39Å
263F28.5Very low34.8Very low189 Ų189141.4 Ų141.483%0.82973%0.731SS**  cis-149.4-171.8-16.1-144.3-11.1000110.2
264Y30.8Very low34.5Very low186 Ų186140.8 Ų140.873%0.72973%0.726SS**  trans-143.5172.6-154.1-86.6-90.4000114.4N262N262-Y264 WeakPolarHBondContact OD1-CD2 3.37Å; N262-Y264 WeakPolarHBondContact OD1-CE2 3.39Å
265P48.2Very low34.3Very low114 Ų114142 Ų14274%0.7473%0.729SS**  cis-136.4166.50.221.14.8000119.2
266M32.7Very low34.1Very low153 Ų153142.6 Ų142.675%0.75472%0.724SS**  trans12.3141.5145.4-97.8-72.2-177.800124.5
267H32.7Very low34Very low157 Ų157144.4 Ų144.473%0.72773%0.73SS**  -179.7136.8107.3-107.6-91000117.5
268Q31.9Very low33.5Very low160 Ų160140.3 Ų140.375%0.74873%0.727SS**  trans22.7160.7151.1-76.9170.2-3000128.2
269P52.9Low33.3Very low115 Ų115142 Ų14275%0.74774%0.74SS**  trans-111.1176.9-179.144.6-36.1000115.7
270P42.5Very low32.8Very low130 Ų130140.7 Ų140.784%0.84475%0.746SS**  -154.6-167.798.243-23.4000116.9
271S30.9Very low33.6Very low91 Ų91139.2 Ų139.264%0.63675%0.753SS**  trans-77.3-173.5-176.769.90000114.8
272Q34.1Very low33.4Very low155 Ų155136.2 Ų136.272%0.72476%0.76SS**  cis-154.6-153.226.6-135.5166.195.700108.8
273Q28.6Very low33.4Very low170 Ų170135 Ų13579%0.79477%0.771SS**  cis-154.4-1507.8-148.4156.346.200111.5
274A29.8Very low34.3Very low86 Ų86131.4 Ų131.471%0.71177%0.766SS**  trans-153-174.3-176.200000113.6
275Q29.7Very low34.4Very low189 Ų189131 Ų13188%0.88378%0.776SS**  trans84.6151.3177.7-65-172.4-1.200117.2
276D26.7Very low33.5Very low120 Ų120128.5 Ų128.564%0.64277%0.77SS**  cis-167.1171-23.8-168.39.1000109.6
277F29.5Very low33.4Very low191 Ų191130 Ų13084%0.83878%0.776SS**  trans63.9155.5177.6-60.4-93.2000117.4
278G27Very low33.1Very low67 Ų67126.9 Ų126.969%0.69177%0.768SS**  cis173.4144.5-11.900000114.3
279L29.3Very low33Very low188 Ų188126.7 Ų126.798%0.98477%0.767SS**  trans65.4167.9162.6-65.1172.8000121.1
280A27Very low32Very low91 Ų91128.9 Ų128.975%0.75277%0.771SS**  trans-126-163.5179.800000108.1
281P48.9Very low31.2Very low134 Ų134127.3 Ų127.387%0.8777%0.769SS**  cis-125.7-163.8-841-22.5000112.7
282G30.3Very low31.1Very low78 Ų78131.5 Ų131.580%0.80478%0.778SS**  trans-150.7-4.1-170.800000121.7
283G29.7Very low31Very low72 Ų72133.7 Ų133.774%0.74279%0.788SS**  trans76.6174.8170.200000117.7
284P47.4Very low30.9Very low113 Ų113132.7 Ų132.773%0.73479%0.788SS**  trans-140.4167.5-145.442.6-24.6000118.8
285L32.9Very low31Very low177 Ų177136.4 Ų136.493%0.92779%0.793SS**  trans56.4126.1142.6-72.9163.8000121.3
286G29.4Very low31.1Very low61 Ų61131.6 Ų131.663%0.62979%0.786SS**  143.9123112.100000118.6
287Q29.3Very low31.7Very low185 Ų185131.2 Ų131.286%0.86479%0.79SS**  trans64.9157143.8-60.9-155.772.300119.1
288T27.2Very low31.7Very low92 Ų92132.9 Ų132.956%0.56479%0.792SS**  cis-159.9176.8-26.926.40000108.7
289H30Very low32.2Very low155 Ų155135.2 Ų135.272%0.71880%0.795SS**  trans78.2110.5156.7-59.4-60.6000121
290L31.1Very low32.3Very low162 Ų162135.5 Ų135.585%0.84879%0.789SS**  40.7115118.1-60.1168000119.7
291A26.7Very low32.6Very low97 Ų97137 Ų13780%0.80279%0.79SS**  trans-157.5158.4130.200000112.4
292H29.2Very low31.8Very low178 Ų178138.4 Ų138.482%0.82479%0.785SS**  trans-63.1149.4179.7-61-115.6000114.1
293H31.2Very low32.1Very low201 Ų201139.1 Ų139.193%0.93177%0.771SS**  trans-147.1150.1142.6-83.5-61.9000111.7
294N27.4Very low32.6Very low149 Ų149141.4 Ų141.480%0.79777%0.772SS**  trans-151.5115177.1178.520.8000108.1
295M30.2Very low32.2Very low164 Ų164143.4 Ų143.481%0.80878%0.777SS**  trans-161.9165.4167.5-103.4-50.8161.200112.1
296A32.7Very low32.7Very low89 Ų89141.9 Ų141.974%0.73677%0.767SS**  trans-88.1168.2-169.700000114.6
297P38.5Very low33.9Very low111 Ų111142.9 Ų142.972%0.72176%0.758SS**  trans-102.4152.9-167.438.4-34.1000115.5
298Y29.6Very low34.9Very low227 Ų227138.7 Ų138.789%0.8975%0.747SS**  trans168165.2150.2-96.9-60.8000109.2
299P37.2Very low36Very low115 Ų115141 Ų14175%0.74775%0.751SS**  cis-112.8-172.5-4616.46.4000112.4
300F32.9Very low36.9Very low195 Ų195139.5 Ų139.586%0.85575%0.747SS**  trans-76.2153.4179.2-75.6-93000115.8
301P33.9Very low37.9Very low121 Ų121137.3 Ų137.379%0.78673%0.728SS**  trans-100.5170.6136.435.4-30.2000112.1
302H31.8Very low38.8Very low164 Ų164141.3 Ų141.376%0.75973%0.727SS**  trans-139.4158-154.3-167.855.4000114.9
303N35.3Very low39.7Very low94 Ų94137 Ų13750%0.50372%0.723SS.*  trans64.7173.7169.1-80.3-30.3000115.8R311N303-R311 PolarHBondContact ND2-NH2 3.44Å; N303-R311 PolarHBondContact OD1-NH2 2.79Å
304P41.4Very low40.3Very low119 Ų119134.3 Ų134.377%0.77371%0.714SS**  cis-131.1119.72.734-13.9000115.9
305D37.5Very low41.3Very low155 Ų155134.6 Ų134.683%0.82972%0.715SS**  trans-169.795132.6-139.3-17.9000112
306M43.9Very low41.5Very low146 Ų146134.5 Ų134.572%0.71971%0.712SS**  trans-154.9134.7169.4-90.1-56.7146.800111
307N55.8Low41.5Very low82 Ų82136.6 Ų136.644%0.43971%0.711SS.*  trans-53131.8-170.8177.7-14.9000113.3E309 L310N307-E309 VanDerWaalsContact C-N 3.27Å; N307-E309 PolarHBondContact ND2-OE2 3.29Å; N307-E309 PolarHBondContact O-N 3.14Å; N307-E309 WeakPolarHBondContact OD1-CB 3.49Å; N307-E309 WeakPolarHBondContact OD1-CG 3.43Å; N307-E309 PolarHBondContact OD1-N 3.18Å; N307-E309 PolarHBondContact OD1-OE2 3.22Å; N307-L310 PolarHBondContact O-N 2.84Å
308P50.2Low41.1Very low97 Ų97136.3 Ų136.363%0.6371%0.712SS**Hα-helixtrans-60.4-24.7177.925.6-36.9000115.7L310 R311 K312P308-L310 VanDerWaalsContact C-N 3.34Å; P308-L310 PolarHBondContact O-N 3.27Å; P308-R311 PolarHBondContact O-N 3.47Å; P308-K312 PolarHBondContact O-N 2.98Å
309E49.8Very low41.1Very low141 Ų141129.9 Ų129.966%0.65971%0.706SS**Hα-helixtrans-64.5-39.2-178.7-64.5171.313000111.7N307 R311 K312N307-E309 VanDerWaalsContact C-N 3.27Å; N307-E309 PolarHBondContact ND2-OE2 3.29Å; N307-E309 PolarHBondContact O-N 3.14Å; N307-E309 WeakPolarHBondContact OD1-CB 3.49Å; N307-E309 WeakPolarHBondContact OD1-CG 3.43Å; N307-E309 PolarHBondContact OD1-N 3.18Å; N307-E309 PolarHBondContact OD1-OE2 3.22Å; E309-R311 PolarHBondContact O-N 3.46Å; E309-K312 PolarHBondContact O-N 3.26Å; E309-K312 VanDerWaalsContact O-N 3.14Å
310L48.6Very low41.1Very low122 Ų122130.6 Ų130.664%0.63971%0.71SS**Hα-helixtrans-67.3-23.8177.7-156.775.4000112.4N307 P308N307-L310 PolarHBondContact O-N 2.84Å; P308-L310 VanDerWaalsContact C-N 3.34Å; P308-L310 PolarHBondContact O-N 3.27Å
311R51.9Low40.9Very low116 Ų116129 Ų12944%0.43871%0.706SS.*Hα-helixtrans-76.2-26.2174.6-78.5-178.2159.6110.4-5.9112.9N303 P308 E309N303-R311 PolarHBondContact ND2-NH2 3.44Å; N303-R311 PolarHBondContact OD1-NH2 2.79Å; P308-R311 PolarHBondContact O-N 3.47Å; E309-R311 PolarHBondContact O-N 3.46Å
312K46.2Very low40.9Very low182 Ų182129 Ų12979%0.79171%0.706SS**Hα-helixtrans-73.9-29.6176-78.9-170.8172.5-176.40113.4P308 E309 L314P308-K312 PolarHBondContact O-N 2.98Å; E309-K312 PolarHBondContact O-N 3.26Å; E309-K312 VanDerWaalsContact O-N 3.14Å; K312-L314 PolarHBondContact O-N 3.26Å
313A48Very low40.7Very low88 Ų88127.4 Ų127.473%0.72771%0.707SS**THydrogen-bonded Turntrans-74.80-179.600000114.8
314L43.2Very low40.3Very low143 Ų143130.7 Ų130.775%0.74972%0.724SS**THydrogen-bonded Turntrans-1219.9-166.4-106161.2000114.3K312K312-L314 PolarHBondContact O-N 3.26Å
315L47.8Very low40Very low155 Ų155130.5 Ų130.581%0.81272%0.722SS**SBendtrans-144.923.9-164-116.4165000115.4
316Q36.3Very low39.5Very low162 Ų162132.5 Ų132.576%0.75773%0.727SS**  trans-126.1100.7-180-175.81017300110.6
317D31.5Very low39.1Very low133 Ų133130.2 Ų130.271%0.71172%0.723SS**  trans48.8149.5152.2-57.8-56.3000121.2
318S29.7Very low37.8Very low105 Ų105135.2 Ų135.273%0.73474%0.744SS**  cis-165.9162.4-22.556.40000108
319A30.3Very low36.7Very low93 Ų93138.7 Ų138.777%0.76975%0.753SS**  trans-70161.1178.300000112.3
320P36.4Very low35.5Very low129 Ų129136.5 Ų136.584%0.83876%0.759SS**  -139.3174.863.336.2-16.9000117.5
321Q30.3Very low34.6Very low162 Ų162139.7 Ų139.776%0.75777%0.768SS**  trans-62.9164.5169.7-74.2-72.4-5.100112.6
322P32.8Very low33.6Very low121 Ų121140.2 Ų140.279%0.78679%0.787SS**  cis-137.7170.930.942.1-24.5000118
323V27.1Very low32.8Very low130 Ų130143.5 Ų143.579%0.78879%0.794SS**  trans-123.5123.3170.4178.90000111.5
324L28.6Very low32.1Very low164 Ų164150.9 Ų150.986%0.85980%0.803SS**  trans-90.9140.1171.7-112.9138.4000110.4
325P34.6Very low31.4Very low114 Ų114149.9 Ų149.974%0.7481%0.808SS**  trans-96.5114.5-174.434.2-32.8000113.9
326Q27.2Very low30.7Very low197 Ų197153 Ų15392%0.92181%0.809SS**  trans-157.5164.3151.2-96.7-138.4-3500112.1
327P35.9Very low30.6Very low98 Ų98155.8 Ų155.864%0.63681%0.813SS**  trans-117.1172.7-148.542.2-34.8000115.2
328Q27Very low30.5Very low188 Ų188157.5 Ų157.588%0.87982%0.821SS**  -164.4169.9120.9-109.4175.460.400115
329M27.3Very low30.5Very low169 Ų169158 Ų15883%0.83382%0.824SS**  trans-88.9153.9-157.3-50.3163.9-156.900114.2
330A24.8Very low30.5Very low95 Ų95161.3 Ų161.379%0.78582%0.822SS**  trans-133.2148156.600000110.9
331F29.3Very low30.1Very low189 Ų189162.4 Ų162.483%0.82982%0.816SS**  trans-94.4133.4-163.7-63-99.8000114.4
332P32.3Very low30.1Very low127 Ų127158.4 Ų158.483%0.82582%0.818SS**  trans-83.9115.4162.331.6-30.7000111.4
333R29.4Very low29.9Very low251 Ų251160.7 Ų160.795%0.94782%0.821SS**  trans-86.5137.4166.2-84.3-167.6173.6-147.60.7111.2
334R32.3Very low29.9Very low244 Ų244162.4 Ų162.492%0.92183%0.825SS**  trans-77.3155-176.1-63.3177.7172.7-171.2-5113.8
335S28.4Very low30.3Very low122 Ų122159.7 Ų159.785%0.85382%0.817SS**  trans-122.1171.1138.7-164.70000110.6
336R33.1Very low29.9Very low220 Ų220160 Ų16083%0.8382%0.823SS**  trans-104.3163.6-174.5-66.6167.9144.9172.1-8.3109.9
337R34Very low29.9Very low221 Ų221158.2 Ų158.283%0.83482%0.819SS**  cis-156.8134.137-65.9168.5172.4-103.81.9114.6
338L30.5Very low29.7Very low169 Ų169157.9 Ų157.989%0.88583%0.825SS**  trans26.8108.5134.6-63.6168.7000121.7
339S29.3Very low29.9Very low114 Ų114156.4 Ų156.480%0.79782%0.822SS**  -151115.2124.451.60000106.6
340K29.1Very low30Very low164 Ų164155.2 Ų155.271%0.71382%0.819SS**  83.6127.374.5-150.1-161.7178.7-69.40111.2
341E29.3Very low30Very low152 Ų152154.1 Ų154.171%0.7182%0.818SS**  trans59.3140.4-169-76.463.8-10300116.3
342G29.6Very low29.9Very low78 Ų78150.2 Ų150.280%0.80482%0.82SS**  trans146.388.3-179.200000113.5
343I29.7Very low29.5Very low168 Ų168147.4 Ų147.486%0.86281%0.814SS**  trans-90.8134.8173.2-62.7163000108.3
344L27.1Very low29.4Very low166 Ų166142.4 Ų142.487%0.86981%0.811SS**  trans-140.7152.9167.3-79.1-179.1000110.4
345P35.5Very low29.2Very low107 Ų107138.7 Ų138.770%0.69581%0.805SS**PPolyproline II helixtrans-86166.4-162.934.7-37.7000114.4
346S27.2Very low29.7Very low122 Ų122138.8 Ų138.885%0.85380%0.803SS**PPolyproline II helixtrans-74.2119.8163.4-580000110.2
347N27Very low29.4Very low158 Ų158131.5 Ų131.585%0.84580%0.795SS**PPolyproline II helixtrans-88.2137.2158.5-85.411.5000109.4
348A31.1Very low29.1Very low91 Ų91130.8 Ų130.875%0.75280%0.802SS**  trans-109.7143.5164.800000109.4
349L30.6Very low29Very low158 Ų158131.2 Ų131.283%0.82780%0.799SS**  trans-163.5155.2162.9-12259.6000104.6
350D30.3Very low29.5Very low143 Ų143130.2 Ų130.277%0.76579%0.79SS**  cis-150.2168.123.2-141.2-40.8000112.4
351G25.2Very low29.6Very low73 Ų73129 Ų12975%0.75380%0.796SS**  trans161.473.817700000116.7
352A26.4Very low29.4Very low106 Ų106125.5 Ų125.588%0.87680%0.801SS**  trans-81.2170.1169.700000112.6
353G24.5Very low29.4Very low68 Ų68129.5 Ų129.570%0.70180%0.804SS**  cis-142.8-162.54.300000112.2
354T27.5Very low29.4Very low146 Ų146128.7 Ų128.790%0.89680%0.801SS**  cis-158.7159.249.8-53.30000111.8
355Q28.3Very low29.5Very low166 Ų166128.1 Ų128.178%0.77679%0.792SS**  trans-89.3-179.7176.9-80.3-72.5-6.700111.6
356P38.5Very low29.2Very low125 Ų125130.2 Ų130.281%0.81280%0.796SS**  cis-140.3174.519.243.4-24.5000118.5
357G26.9Very low29.5Very low66 Ų66132.8 Ų132.868%0.6879%0.794SS**  trans176.682.516600000118.8
358Q27.8Very low29.7Very low206 Ų206130.8 Ų130.896%0.96379%0.79SS**  trans60.9148.4157.8-73.1-176-23.400122.7
359E27.2Very low29.7Very low178 Ų178138 Ų13883%0.83280%0.798SS**  trans-103.8-177.6173-114.2-157.211500109.7
360P41.2Very low29.7Very low94 Ų94135.5 Ų135.561%0.6179%0.791SS**  cis-137-169.16.838-17.1000116.1
361T29.9Very low29.6Very low138 Ų138137 Ų13785%0.84780%0.798SS**  trans71.5132.2153.743.30000121.2
362G26.9Very low29.7Very low79 Ų79142.7 Ų142.781%0.81481%0.805SS**  trans14071.5159.500000116.8
363N28.3Very low29.8Very low161 Ų161146.1 Ų146.186%0.86180%0.803SS**  trans-76.2145.2163.2-78.3-75.1000110.4
364L31Very low30.3Very low151 Ų151148.5 Ų148.579%0.79181%0.806SS**  175.1115.5128.8-92.9177.7000113.4
365F28.9Very low30.7Very low155 Ų155147 Ų14768%0.6880%0.799SS**  trans54.8126.8136.1-81.5-119.4000123.9
366L29.2Very low31.1Very low150 Ų150143.6 Ų143.679%0.78579%0.791SS**  trans71.4124.4143.1-62.7172.5000121.6
367H32Very low30.6Very low177 Ų177138.6 Ų138.682%0.81976%0.762SS**  trans-74.1153.2160.3-49.7-73.7000111
368P32.1Very low30.8Very low116 Ų116140 Ų14075%0.75376%0.762SS**  -140.5162.581.138.3-24.1000115.5P370P368-P370 WeakPolarHBondContact O-CD 3.44Å
369W30.3Very low30.9Very low243 Ų243138.7 Ų138.792%0.9276%0.76SS**  trans-84133169-87.274.3000112
370P32Very low30.8Very low104 Ų104133.4 Ų133.468%0.67575%0.754SS**  trans-120.516914937.6-28.6000112.5P368P368-P370 WeakPolarHBondContact O-CD 3.44Å
371L27.2Very low30.2Very low176 Ų176136.8 Ų136.892%0.92176%0.762SS**  trans-61.7148.4174.9-82.961.6000111.7
372Q28.7Very low30.7Very low191 Ų191135.8 Ų135.889%0.89376%0.758SS**  trans-119.8123.4171-170.416886.300111.1
373Q28.5Very low30.6Very low179 Ų179139.2 Ų139.284%0.83675%0.752SS**  trans-107.9160.9162.1-85.6-172.1-10.800109
374P33.7Very low31.3Very low117 Ų117136.6 Ų136.676%0.7674%0.744SS**  trans-85.9158.8-158.833.2-37.2000115.3
375P36Very low31.2Very low115 Ų115136.8 Ų136.875%0.74774%0.741SS**  trans-85.6158.817535.2-35.5000113.9
376P36.3Very low31.1Very low94 Ų94132.5 Ų132.561%0.6173%0.734SS**  trans-88-178.1175.537.8-36.6000113.4
377G29.5Very low31.1Very low20 Ų20133.8 Ų133.821%0.20674%0.741CS.*  trans-147-167.6-178.600000116.3A406G377-A406 CarbonylContact C-O 3.57Å; G377-A406 WeakPolarHBondContact CA-O 3.48Å; G377-A406 PolarHBondContact N-O 3.18Å
378S29.8Very low30.9Very low97 Ų97129.2 Ų129.268%0.67874%0.741SS**  trans-177.3153.1-177.152.60000110.1
379L29.3Very low30.6Very low177 Ų177133.4 Ų133.493%0.92775%0.748SS**  cis-170.6142-18172.2148000107.6
380G25.3Very low30.9Very low68 Ų68127.4 Ų127.470%0.70174%0.74SS**  trans-179146.9174.600000114.2
381Q28.5Very low30.6Very low164 Ų164129.5 Ų129.577%0.76675%0.745SS**  trans-152.5160.3-178.7-100.2-102-3600107.5
382P41.5Very low30.6Very low118 Ų118128.6 Ų128.677%0.76674%0.736SS**  cis-139-174.236.940.1-19.8000117.8
383H25.1Very low30.6Very low151 Ų151125.8 Ų125.870%0.69973%0.726SS**  trans-74.8175.2174.6-120.7-123.3000113.3
384P43.6Very low30.5Very low105 Ų105127 Ų12768%0.68272%0.723SS**  cis-134.2-151.615.941.1-17.9000113.8
385E27.1Very low30Very low155 Ų155128.2 Ų128.272%0.72472%0.719SS**  cis-159.8173.67.6-136.8-36.770.900113.5
386A28.6Very low29.6Very low66 Ų66126.8 Ų126.855%0.54571%0.712SS.*  trans6599.8145.600000123.1
387L28.8Very low29.1Very low177 Ų177130.3 Ų130.393%0.92772%0.72SS**  44.7122.6130-54.4176.7000122.8
388G26.8Very low29Very low80 Ų80136.7 Ų136.783%0.82575%0.749SS**  trans131.7125.5140.100000119
389F26.9Very low28.8Very low204 Ų204140 Ų14090%0.89576%0.758SS**  trans-108164.1165.6-82.6-75.1000109.4
390P36.6Very low28.6Very low117 Ų117135.9 Ų135.976%0.7675%0.749SS**  cis-142-166.830.242.5-21.3000117.6
391L25.9Very low28.6Very low149 Ų149141 Ų14178%0.7876%0.76SS**  trans-43.3143.3-179.6-76.462.9000115.4
392E27Very low28.6Very low156 Ų156137 Ų13773%0.72976%0.764SS**  -168160.182.6-118.6-72.473.900114.6
393L27.5Very low27.8Very low132 Ų132138.8 Ų138.869%0.69176%0.762SS**  trans47.5126.2153.5-13881.7000124.3
394R26Very low27.8Very low205 Ų205140.7 Ų140.777%0.77476%0.763SS**  trans96.7119.6134.7-137.5-179.7164.7179.7-9.8122.8
395E24.7Very low27Very low143 Ų143140.5 Ų140.567%0.66876%0.756SS**  trans53.6128.4148.9-79.4-178.990.600124.7
396S26.3Very low27.2Very low85 Ų85136.7 Ų136.759%0.59475%0.75SS**  trans105.4106.3134-730000122.7
397Q25.6Very low27.5Very low168 Ų168137.5 Ų137.579%0.78575%0.75SS**  62.6104.6128.1-54.2176.722.400120.5
398L27.8Very low27.4Very low154 Ų154136.1 Ų136.181%0.80674%0.744SS**  169.7141101.8-87.4174.9000114.9
399L25.2Very low27.5Very low166 Ų166135.7 Ų135.787%0.86974%0.74SS**  trans15.5147.7153.6-71.3167.1000125.3
400A25.9Very low27.6Very low90 Ų90135.9 Ų135.974%0.74473%0.734SS**  trans112.3108137.900000120.5
401D25.3Very low27.1Very low175 Ų175135.8 Ų135.894%0.93672%0.724SS**  trans6.6143.9149-52.4-41.9000123.5
402G27.6Very low27.2Very low82 Ų82136.6 Ų136.685%0.84572%0.716SS**  trans177141.4163.600000114.1
403E25.2Very low27.1Very low155 Ų155136.5 Ų136.572%0.72472%0.716SS**  trans-109.8147.7-173.4-93.7-158.9109.100115.2
404R25.9Very low26.9Very low191 Ų191134.1 Ų134.172%0.72172%0.716SS**  trans84.6134.8134.5-87.3-179.1-157.3-90.4-17.4125.3
405L26.1Very low27.9Very low101 Ų101130.2 Ų130.253%0.52972%0.716SS.*  trans85.4132139-68.6167.9000121.7
406A32.7Very low28.5Very low74 Ų74128.7 Ų128.761%0.61272%0.719SS**  trans-99.1177.516200000110.7G377G377-A406 CarbonylContact C-O 3.57Å; G377-A406 WeakPolarHBondContact CA-O 3.48Å; G377-A406 PolarHBondContact N-O 3.18Å
407P34.4Very low28.5Very low84 Ų84132.4 Ų132.455%0.54573%0.729SS.*  -148.5141.5113.638.4-23.9000117.8
408N26.6Very low28.6Very low147 Ų147127.2 Ų127.279%0.78672%0.721SS**  trans17.4136138.5-60.8-29.7000122.9
409G28.2Very low28.6Very low72 Ų72125.5 Ų125.574%0.74271%0.712SS**  trans133.3152.8131.500000116.5
410R28.7Very low28.7Very low207 Ų207126 Ų12678%0.78171%0.71SS**  cis-172.4163.3-10.6-136.5177.1172.6-129.911.4109.6
411E25.9Very low28.8Very low115 Ų115130.6 Ų130.654%0.53772%0.716SS.*  trans70.9158.4146.6-85176.9126.200118.8
412R28Very low29.1Very low166 Ų166125.8 Ų125.863%0.62670%0.701SS**  cis-168.9149.50.4144.3179-77.2-101.3-2.4115.2
413E24.7Very low29.1Very low155 Ų155128.7 Ų128.772%0.72469%0.694SS**  trans68.3159.3152.1-82.7159.1176.300126.2
414A23.5Very low29.4Very low82 Ų82131.8 Ų131.868%0.67870%0.699SS**  trans-148.1-144.8-177.500000106.2
415P47.2Very low29.4Very low122 Ų122127.9 Ų127.979%0.79271%0.708SS**  cis-137.518.5-19.345-26.2000118.1
416P38.7Very low29.3Very low111 Ų111127 Ų12772%0.72172%0.723SS**  trans-102.4157.5-146.231.9-17.7000116
417M25.9Very low28.9Very low163 Ų163127.3 Ų127.380%0.80373%0.734SS**  cis-168.7157.1-18.9-126-62-7100111.1N419M417-N419 WeakPolarHBondContact CE-OD1 3.38Å
418G27.7Very low28.5Very low59 Ų59132.2 Ų132.261%0.60875%0.754SS**  trans92.7154.9153.200000118.5
419N27.1Very low28.5Very low119 Ų119128.6 Ų128.664%0.63675%0.751SS**  cis-155.5129-4.6-12239.8000110M417M417-N419 WeakPolarHBondContact CE-OD1 3.38Å
420E27.3Very low28.3Very low175 Ų175132.7 Ų132.782%0.81876%0.757SS**  86.8172.797.1-78.2-15897.800115.8
421E28.1Very low28.2Very low187 Ų187128.4 Ų128.487%0.87476%0.757SS**  trans-137.2-173.7-138.6-143.6-170.1108.800114.8
422A31.2Very low28.1Very low75 Ų75126.3 Ų126.362%0.6277%0.766SS**  trans83.1161.716300000117.9
423M28.9Very low28.2Very low142 Ų142127.3 Ų127.370%0.778%0.778SS**  cis-152142.310.5-158.3168.6-79.400116.1
424R30.5Very low28.2Very low221 Ų221127.9 Ų127.983%0.83478%0.783SS**  trans27.7142.1151.7-66.8-173.5-80.1-167-6.8124
425A25Very low28.5Very low108 Ų108131.6 Ų131.689%0.89379%0.79SS**  -142.9168129.300000110.2
426G24.3Very low27.6Very low82 Ų82137.6 Ų137.685%0.84580%0.796SS**  trans-167171.7179.400000114.8
427G24.3Very low27Very low82 Ų82136.2 Ų136.285%0.84580%0.802SS**  trans-173.5160.7-179.200000113
428L27.3Very low27.2Very low187 Ų187131.9 Ų131.998%0.97980%0.8SS**  trans-148.8148.8-166.3-172.173.7000113.5
429G25.6Very low27.2Very low70 Ų70135.1 Ų135.172%0.72281%0.807SS**  trans114153.3162.800000115.1
430D24.6Very low27.6Very low159 Ų159136.8 Ų136.885%0.8581%0.814SS**  cis-154.2-178-17.9-168.312.5000109.4
431C26.7Very low27.8Very low116 Ų116136.6 Ų136.678%0.78481%0.814SS**  trans-88.1168.8-163.968.20000117.4
432G24Very low28Very low72 Ų72132.7 Ų132.774%0.74281%0.807SS**  trans-17244.4-172.800000122.5
433Q29.3Very low28.2Very low187 Ų187135.7 Ų135.787%0.87482%0.818SS**  trans71139.9149.2-57.4-170.55.700125.7
434M24.7Very low28.5Very low167 Ų167140.5 Ų140.582%0.82383%0.828SS**  trans65.595142.2-72.9-158.3172.200125.9
435I29.8Very low28.7Very low160 Ų160141.9 Ų141.982%0.82183%0.833SS**  23.4109.9116-48.3177.3000119.7
436R28.6Very low29.3Very low248 Ų248148.2 Ų148.294%0.93683%0.834SS**  -177.9144.2118.1-95179-170.1-153.63.6106.9
437G26.8Very low30Very low81 Ų81155.5 Ų155.584%0.83584%0.836SS**  cis139.591.37.100000108.8
438G29.1Very low30.8Very low73 Ų73163.6 Ų163.675%0.75384%0.841SS**  trans-153.668.7-15900000118.1
439V28.3Very low31Very low126 Ų126159.2 Ų159.276%0.76483%0.831SS**  trans50.7113.5148.7-173.90000119.7Q441V439-Q441 HydrophobicContact CG1-CG 4.12Å
440I34.1Very low31.6Very low154 Ų154159.9 Ų159.979%0.7983%0.825SS**  trans-76.8137.6157.3-65.2168.2000109.9
441Q33.6Very low32.4Very low172 Ų172162.1 Ų162.180%0.80483%0.83SS**  trans-123.885.9156.8-73.3-152.825.200111.9V439 T443V439-Q441 HydrophobicContact CG1-CG 4.12Å; Q441-T443 PolarHBondContact O-N 3.23Å
442S32.3Very low33.1Very low104 Ų104164.2 Ų164.273%0.72783%0.829SS**  trans-70.6112.9168.758.60000110.1
443T35.4Very low34.2Very low139 Ų139164.6 Ų164.685%0.85383%0.825SS**  trans-69.3136.5-174.649.70000112.8Q441Q441-T443 PolarHBondContact O-N 3.23Å
444R33.3Very low35.5Very low243 Ų243160.3 Ų160.392%0.91781%0.808SS**  trans-71.1134.2-168-69.2-177.2173.3-164.9-2.3113.3R446R444-R446 PolarHBondContact O-N 3.33Å
445R35.3Very low37Very low249 Ų249159.2 Ų159.294%0.9481%0.805SS**  trans-71.492.6175.4-156.9176.6-160.5-122.49111.3R447R445-R447 PolarHBondContact O-N 3.19Å
446R38.8Very low38Very low242 Ų242157.6 Ų157.691%0.91380%0.797SS**PPolyproline II helixtrans-58127.4-175.7-163.8-174.7-108.4-120.63.6112.1R444R444-R446 PolarHBondContact O-N 3.33Å
447R39Very low39.8Very low235 Ų235149 Ų14989%0.88777%0.772SS**PPolyproline II helixtrans-71.4159.1168.2-68.5-172.3178.3-156.11110.3R445R445-R447 PolarHBondContact O-N 3.19Å
448R40.7Very low41.4Very low252 Ų252150.5 Ų150.595%0.95176%0.76SS**PPolyproline II helixtrans-71.3136.5170.4-61.3-177-173179.83.6109
449A32.1Very low42.8Very low94 Ų94149.6 Ų149.678%0.77775%0.746SS**PPolyproline II helixtrans-86147.5166.700000110
450S37.2Very low44.3Very low84 Ų84149.9 Ų149.959%0.58774%0.739SS**PPolyproline II helixtrans-66.1151.3161.412.50000110.1E452S450-E452 WeakPolarHBondContact CB-OE1 3.5Å; S450-E452 PolarHBondContact O-N 3.21Å; S450-E452 PolarHBondContact OG-OE1 3.34Å
451Q41.1Very low45.6Very low206 Ų206148.4 Ų148.496%0.96373%0.727SS**  trans-90.590163.1-78.5-172.4-69.100108.3A453Q451-A453 PolarHBondContact O-N 3.08Å
452E40.7Very low47Very low161 Ų161143.1 Ų143.175%0.75271%0.713SS**  trans-86.9101.6170.8-73.9153.2-111.600107.8S450S450-E452 WeakPolarHBondContact CB-OE1 3.5Å; S450-E452 PolarHBondContact O-N 3.21Å; S450-E452 PolarHBondContact OG-OE1 3.34Å
453A48.6Very low48.7Very low80 Ų80143.2 Ų143.266%0.66171%0.709SS**  trans-71.8128.2179.900000109.9Q451 L455Q451-A453 PolarHBondContact O-N 3.08Å; A453-L455 PolarHBondContact O-N 3.09Å
454N55.8Low49.9Very low97 Ų97142.3 Ų142.352%0.51970%0.695SS.*  trans-66.5109.6-178.9-174-14.9000110.5L456 T457 L458N454-L456 VanDerWaalsContact C-N 3.29Å; N454-L456 PolarHBondContact O-N 3.01Å; N454-L456 WeakPolarHBondContact OD1-CB 3.38Å; N454-L456 PolarHBondContact OD1-N 3.2Å; N454-L456 VanDerWaalsContact OD1-N 3.13Å; N454-T457 PolarHBondContact ND2-OG1 3.27Å; N454-T457 PolarHBondContact O-N 3.45Å; N454-L458 PolarHBondContact O-N 2.69Å
455L56.2Low51Low143 Ų143136.2 Ų136.275%0.74968%0.68SS**Hα-helixtrans-64.3-33-174.6-149.273.8000112.3A453 L458 A459A453-L455 PolarHBondContact O-N 3.09Å; L455-L458 PolarHBondContact O-N 3.04Å; L455-A459 PolarHBondContact O-N 3.39Å
456L51Low51.7Low126 Ų126127.2 Ų127.266%0.6666%0.659SS**Hα-helixtrans-65.4-40.9175.8-76.5150.8000111.7N454 L458 A459 Q460N454-L456 VanDerWaalsContact C-N 3.29Å; N454-L456 PolarHBondContact O-N 3.01Å; N454-L456 WeakPolarHBondContact OD1-CB 3.38Å; N454-L456 PolarHBondContact OD1-N 3.2Å; N454-L456 VanDerWaalsContact OD1-N 3.13Å; L456-L458 PolarHBondContact O-N 3.17Å; L456-A459 PolarHBondContact O-N 2.9Å; L456-Q460 WeakPolarHBondContact O-CG 3.4Å; L456-Q460 PolarHBondContact O-N 3.41Å
457T66.4Low52.1Low67 Ų67120.4 Ų120.441%0.41165%0.648SS.*Hα-helixtrans-67-27.7177.1-46.70000112.1N454 K461N454-T457 PolarHBondContact ND2-OG1 3.27Å; N454-T457 PolarHBondContact O-N 3.45Å; T457-K461 WeakPolarHBondContact O-CG 3.38Å; T457-K461 PolarHBondContact O-N 3.36Å
458L61.1Low52.5Low113 Ų113115.6 Ų115.659%0.59264%0.64SS**Hα-helixtrans-75.9-41.1172.4-112.6166.5000111.9N454 L455 L456 K461 A462N454-L458 PolarHBondContact O-N 2.69Å; L455-L458 PolarHBondContact O-N 3.04Å; L456-L458 PolarHBondContact O-N 3.17Å; L458-K461 PolarHBondContact O-N 2.88Å; L458-A462 PolarHBondContact O-N 3.34Å
459A57Low52.6Low55 Ų55111.3 Ų111.346%0.45563%0.63SS.*Hα-helixtrans-64-45.8175.900000112.2L455 L456 K461 A462 V463L455-A459 PolarHBondContact O-N 3.39Å; L456-A459 PolarHBondContact O-N 2.9Å; A459-K461 VanDerWaalsContact C-N 3.31Å; A459-K461 PolarHBondContact O-N 3.09Å; A459-A462 WeakPolarHBondContact O-CB 3.4Å; A459-A462 PolarHBondContact O-N 3.36Å; A459-A462 VanDerWaalsContact O-N 3.1Å; A459-V463 PolarHBondContact O-N 3.13Å; A459-V463 VanDerWaalsContact O-N 3.09Å
460Q60Low52.9Low132 Ų132114.5 Ų114.562%0.61763%0.634SS**Hα-helixtrans-59.1-41.6176.2-74.5177.7-52.400111.7L456 A462 V463 E464L456-Q460 WeakPolarHBondContact O-CG 3.4Å; L456-Q460 PolarHBondContact O-N 3.41Å; Q460-A462 VanDerWaalsContact C-N 3.34Å; Q460-A462 PolarHBondContact O-N 3.17Å; Q460-V463 PolarHBondContact O-N 3.28Å; Q460-E464 WeakPolarHBondContact O-CB 3.31Å; Q460-E464 PolarHBondContact O-N 3.5Å
461K61.5Low52.7Low122 Ų122114.9 Ų114.953%0.5364%0.642SS.*Hα-helixtrans-69.9-26.2175.5-74.5-163168.7-155.60114.5T457 L458 A459 L465T457-K461 WeakPolarHBondContact O-CG 3.38Å; T457-K461 PolarHBondContact O-N 3.36Å; L458-K461 PolarHBondContact O-N 2.88Å; A459-K461 VanDerWaalsContact C-N 3.31Å; A459-K461 PolarHBondContact O-N 3.09Å; K461-L465 WeakPolarHBondContact O-CB 3.28Å; K461-L465 WeakPolarHBondContact O-CD1 3.25Å; K461-L465 VanDerWaalsContact O-CG 3.26Å; K461-L465 WeakPolarHBondContact O-CG 3.49Å; K461-L465 PolarHBondContact O-N 3.39Å; K461-L465 VanDerWaalsContact O-N 3.1Å
462A63Low52.2Low62 Ų62113.6 Ų113.651%0.51264%0.642SS.*Hα-helixtrans-69.7-40.2171.800000111.4L458 A459 Q460 A466L458-A462 PolarHBondContact O-N 3.34Å; A459-A462 WeakPolarHBondContact O-CB 3.4Å; A459-A462 PolarHBondContact O-N 3.36Å; A459-A462 VanDerWaalsContact O-N 3.1Å; Q460-A462 VanDerWaalsContact C-N 3.34Å; Q460-A462 PolarHBondContact O-N 3.17Å; A462-A466 WeakPolarHBondContact O-CB 3.35Å; A462-A466 PolarHBondContact O-N 2.92Å
463V68.8Low51.6Low105 Ų105109.1 Ų109.164%0.63664%0.639SS**Hα-helixtrans-67.7-44.4174.7177.10000111.3A459 Q460 L465 A466 S467A459-V463 PolarHBondContact O-N 3.13Å; A459-V463 VanDerWaalsContact O-N 3.09Å; Q460-V463 PolarHBondContact O-N 3.28Å; V463-L465 VanDerWaalsContact C-N 3.3Å; V463-L465 PolarHBondContact O-N 3.43Å; V463-A466 PolarHBondContact O-N 3.44Å; V463-S467 PolarHBondContact O-N 2.79Å
464E60.5Low50.7Low120 Ų120110.3 Ų110.356%0.56164%0.643SS**Hα-helixtrans-58.8-38176.5-171178.2-150.900112.3Q460 L468Q460-E464 WeakPolarHBondContact O-CB 3.31Å; Q460-E464 PolarHBondContact O-N 3.5Å; E464-L468 WeakPolarHBondContact O-CG 3.24Å
465L55.9Low49.3Very low115 Ų115114.5 Ų114.560%0.60266%0.659SS**Hα-helixtrans-82.2-21.3176.7-70.8171.4000114.4K461 V463K461-L465 WeakPolarHBondContact O-CB 3.28Å; K461-L465 WeakPolarHBondContact O-CD1 3.25Å; K461-L465 VanDerWaalsContact O-CG 3.26Å; K461-L465 WeakPolarHBondContact O-CG 3.49Å; K461-L465 PolarHBondContact O-N 3.39Å; K461-L465 VanDerWaalsContact O-N 3.1Å; V463-L465 VanDerWaalsContact C-N 3.3Å; V463-L465 PolarHBondContact O-N 3.43Å
466A50.3Low48.1Very low61 Ų61114.1 Ų114.150%0.50465%0.654SS.*Hα-helixtrans-74.2-39.8170.700000111.1A462 V463 L468 Q469A462-A466 WeakPolarHBondContact O-CB 3.35Å; A462-A466 PolarHBondContact O-N 2.92Å; V463-A466 PolarHBondContact O-N 3.44Å; A466-L468 PolarHBondContact O-N 3.15Å; A466-Q469 PolarHBondContact O-N 3.46Å
467S47.9Very low47Very low98 Ų98114.7 Ų114.769%0.68565%0.651SS**THydrogen-bonded Turntrans-67.84179.8-168.30000115.2V463V463-S467 PolarHBondContact O-N 2.79Å
468L45.8Very low45.3Very low135 Ų135121.3 Ų121.371%0.70767%0.668SS**THydrogen-bonded Turntrans-117.713.1-176.6-70.8174.4000113.7E464 A466E464-L468 WeakPolarHBondContact O-CG 3.24Å; A466-L468 PolarHBondContact O-N 3.15Å
469Q43.5Very low43.7Very low162 Ų162125.1 Ų125.176%0.75768%0.68SS**SBendtrans-107.1-16.1178.2-63.8-173.737.800114.1A466 A471A466-Q469 PolarHBondContact O-N 3.46Å; Q469-A471 PolarHBondContact O-N 2.89Å
470D37.9Very low42.3Very low160 Ų160127.6 Ų127.686%0.85669%0.694SS**SBendtrans-98.564.6179-69.1-51.3000112.9
471A33.5Very low40.6Very low92 Ų92127.4 Ų127.476%0.7670%0.702SS**  trans-160.277.8169.100000113.4Q469Q469-A471 PolarHBondContact O-N 2.89Å
472N31.3Very low39.2Very low180 Ų180128.3 Ų128.396%0.96371%0.712SS**  trans-84.4124.7162.8-88.1-32.5000109.7
473G27.3Very low37.3Very low67 Ų67129.5 Ų129.569%0.69172%0.721SS**  trans-178.3101.9178.500000116.2
474S30.6Very low35.4Very low105 Ų105128.9 Ų128.973%0.73472%0.722SS**  trans23.2118.1146.759.50000122.6
475E26.1Very low33.8Very low184 Ų184129.6 Ų129.686%0.8673%0.734SS**  77161.9121.7-62.9-159.9101.200124.9
476E29.7Very low32.6Very low136 Ų136128.6 Ų128.664%0.63674%0.742SS**  trans44.1100.7162.7-65.7-139.1119.600123.8
477K29.1Very low31.6Very low138 Ų138135.5 Ų135.560%0.676%0.761SS**  53.813094.4-177.8-162.5-171178.30119.4
478R31.4Very low30.5Very low205 Ų205136.9 Ų136.977%0.77477%0.769SS**  trans73.6101.6161.2-72.6164.2-175.5176.1-1.4118.9
479K27.2Very low29.4Very low194 Ų194133.7 Ų133.784%0.84377%0.769SS**  39.2140.3112.9-64.5-175.4175.8-1760120.1
480S26Very low28.6Very low106 Ų106132.4 Ų132.474%0.74177%0.772SS**  trans93.5129.6144.290.20000115.5
481V25.2Very low27.9Very low129 Ų129132.5 Ų132.578%0.78277%0.767SS**  97139.385.1150.20000110.4
482L31.3Very low27.5Very low141 Ų141136.6 Ų136.674%0.73877%0.768SS**  cis-156.1155.55.6-132.5173.9000111.3
483A23.8Very low27.2Very low87 Ų87133 Ų13372%0.71976%0.757SS**  trans-160.6109.9137.800000107.5
484S29.9Very low27Very low92 Ų92138.5 Ų138.564%0.64377%0.765SS**  76.6126.584.1-63.40000112.9
485T26.7Very low27.4Very low135 Ų135138.8 Ų138.883%0.82876%0.764SS**  cis-163.8163.13.63.60000112.3
486A30.3Very low27.2Very low93 Ų93134.1 Ų134.177%0.76976%0.757SS**  trans73.5150.6162.200000119.6
487K30Very low27Very low207 Ų207135.5 Ų135.590%0.977%0.768SS**  cis174.1149.2-39.1-107.6171.9177.2-175.50107.9
488C23.9Very low26.9Very low127 Ų127133.8 Ų133.886%0.85878%0.779SS**  cis-170138.1-33.1-170.10000110.5
489G23.7Very low26.7Very low67 Ų67129 Ų12969%0.69178%0.784SS**  trans88.1159.4157.500000119.1
490V25Very low26.7Very low136 Ų136128.9 Ų128.982%0.82478%0.783SS**  cis-154.2146.4-13.1-158.20000110.6
491E24.7Very low26.7Very low161 Ų161134.9 Ų134.975%0.75279%0.79SS**  trans82.8157.5143.7-113.3175.4-171.800127
492F24.9Very low26.7Very low178 Ų178133.2 Ų133.278%0.78179%0.789SS**  trans84.9162159.4-87.7-71.7000124.1
493S23.6Very low26.4Very low105 Ų105137.7 Ų137.773%0.73480%0.796SS**  trans-131.3174.9-149.3-53.40000114.1
494E24.9Very low26.5Very low183 Ų183141.1 Ų141.186%0.85580%0.798SS**  trans-9163.8156.3-86.1-164.3126.200121.7
495P37.2Very low26.4Very low110 Ų110144.2 Ų144.271%0.71480%0.802SS**  cis-143.8-164.40.133.2-8.1000116.6
496A23Very low26.6Very low86 Ų86142.7 Ų142.771%0.71180%0.797SS**  trans88.9120136.800000125.2
497L25.5Very low26.4Very low165 Ų165141.5 Ų141.586%0.86479%0.793SS**  trans44.1110.3132.7-59.7179.3000124.9
498A26.6Very low26.5Very low102 Ų102140.9 Ų140.984%0.84380%0.796SS**  68.6129.2118.700000124.2
499A27.8Very low27Very low105 Ų105140.8 Ų140.887%0.86879%0.791SS**  trans-139.7173.9160.100000111.6
500K27Very low27.6Very low191 Ų191143.1 Ų143.183%0.8379%0.794SS**  trans-113.3147.7-158.8-63173.6-177.9169.80116.6
501R25.9Very low28.1Very low232 Ų232144.6 Ų144.688%0.87580%0.797SS**  trans10.8149.8143-46.5-178.1-178120.8-0.7119
502A25.6Very low28.7Very low94 Ų94144.5 Ų144.578%0.77780%0.8SS**  -179.9155.153.400000113.9
503R25.2Very low29.1Very low235 Ų235143 Ų14389%0.88780%0.798SS**  179.2150.1112.6-169159.4-175.1134.26.6113.4
504E24.5Very low29.6Very low160 Ų160143 Ų14375%0.74880%0.796SS**  trans-67.6172.8176.1-77.7133.9134.300117.5
505E28.8Very low29.9Very low156 Ų156140.6 Ų140.673%0.72979%0.793SS**  cis-177.9-170.8-19.6-170.6-117.6104.200109.2
506S30.1Very low29.7Very low104 Ų104140.4 Ų140.473%0.72780%0.795SS**  trans73.1128167.8-50.90000119
507G26.8Very low30.1Very low67 Ų67142.1 Ų142.169%0.69180%0.796SS**  cis167.5149.6-11.800000114
508M31.4Very low30.5Very low194 Ų194140 Ų14096%0.95679%0.792SS**  trans-178152.1149.6-103.1-179.8-163.800110
509V34.9Very low30.7Very low126 Ų126141.4 Ų141.476%0.76479%0.79SS**  trans-129.6132.7-166.11760000112
510P36.7Very low30.9Very low116 Ų116147.6 Ų147.675%0.75379%0.791SS**  trans-80.5124.4163.631.9-30.6000110.5
511L35.6Very low31.1Very low166 Ų166142.8 Ų142.887%0.86979%0.787SS**  trans-67.8132.3-178.9-72.2156.8000111.9
512I37.8Very low31.2Very low159 Ų159138 Ų13882%0.81578%0.783SS**  trans-112.8113.2168.2-60.3175.3000107.3P514I512-P514 WeakPolarHBondContact O-CD 3.24Å
513I31.6Very low31.3Very low146 Ų146141.1 Ų141.175%0.74979%0.787SS**  trans-86.7119.5175.8-61176.6000108.6
514P35.1Very low31.9Very low107 Ų107135.3 Ų135.370%0.69578%0.779SS**  trans-79.1132.2175.331.9-32.6000110.7I512I512-P514 WeakPolarHBondContact O-CD 3.24Å
515V31.2Very low32.1Very low131 Ų131131.9 Ų131.979%0.79478%0.778SS**  trans-105.7100.7166.8-177.60000108.3V517V515-V517 PolarHBondContact O-N 3.43Å
516S33.6Very low32Very low107 Ų107133.5 Ų133.575%0.74879%0.786SS**PPolyproline II helixtrans-74.7119.9176.5-58.70000110.4
517V31.5Very low31.9Very low121 Ų121135.2 Ų135.273%0.73379%0.792SS**PPolyproline II helixtrans-96.9118.5165.4-1790000108.1V515 V519V515-V517 PolarHBondContact O-N 3.43Å; V517-V519 PolarHBondContact O-N 3.02Å
518P33.7Very low31.9Very low120 Ų120135.7 Ų135.778%0.77979%0.789SS**PPolyproline II helixtrans-65.2126.6179.1-2233.8000111.9
519V30.9Very low31.8Very low133 Ų133135.2 Ų135.281%0.80679%0.785SS**  trans-114.5106.2165.8179.10000107.4V517 A521V517-V519 PolarHBondContact O-N 3.02Å; V519-A521 PolarHBondContact O-N 3.21Å
520R31.2Very low31.4Very low235 Ų235136 Ų13689%0.88779%0.789SS**  trans-84.3107.3164.9-69.7-152.373167.72.5108.8
521A31.3Very low30.9Very low89 Ų89133.4 Ų133.474%0.73678%0.784SS**  trans-72.7151157.800000109.6V519V519-A521 PolarHBondContact O-N 3.21Å
522V28.7Very low30.4Very low133 Ų133131.4 Ų131.481%0.80678%0.783SS**  trans-128.1130.2167178.20000106.5
523D26.6Very low30Very low159 Ų159127.9 Ų127.985%0.8578%0.779SS**  trans-129.4149.3167.1-115.7-30.5000107.3
524P38.7Very low29.9Very low113 Ų113128 Ų12873%0.73478%0.781SS**  trans-101.4146.2-160.236.8-34.7000115.2
525A27.4Very low29.8Very low88 Ų88131.2 Ų131.273%0.72779%0.786SS**  168.8137126.300000112.8
526E27.7Very low29.7Very low189 Ų189131.6 Ų131.688%0.88378%0.784SS**  trans62.4149.9157.4-63.2179.3176.300118
527V26.6Very low29.5Very low141 Ų141129.6 Ų129.686%0.85578%0.78SS**  cis-124.2171.24.4179.30000110
528A28.7Very low29.3Very low77 Ų77133.2 Ų133.264%0.63679%0.786SS**  trans-92.6166.9-172.300000116.6
529Q28.8Very low28.9Very low184 Ų184131 Ų13186%0.8679%0.785SS**  trans64.6123.7156.7-59.4175.611.700120.6
530V26.4Very low28.8Very low142 Ų142132.1 Ų132.186%0.86179%0.786SS**  159.5136.2110.5162.30000111.2
531G26Very low28.5Very low62 Ų62127.2 Ų127.264%0.63977%0.773SS**  trans96.496.913900000121.8
532S25.5Very low28.3Very low123 Ų123129.9 Ų129.986%0.8677%0.77SS**  trans44.8124.4130.7-54.90000125.2
533A28.5Very low28.1Very low86 Ų86134.1 Ų134.171%0.71177%0.773SS**  93139.8119.700000124.2
534D29Very low28.9Very low148 Ų148131.9 Ų131.979%0.79177%0.767SS**  trans70.3108150.1-56.2-28.1000125.3
535E34.8Very low28.3Very low175 Ų175131 Ų13182%0.81877%0.769SS**  84.6136.1118.4-71.2-73.268.600127.4
536D27.9Very low28.3Very low138 Ų138133.7 Ų133.774%0.73877%0.767SS**  trans60.8163.3154.5-138.6-22.8000121.7
537G28.9Very low28.5Very low65 Ų65134 Ų13467%0.6777%0.768SS**  trans169-34.8166.800000123.7
538K27.5Very low28.8Very low198 Ų198134.3 Ų134.386%0.86176%0.757SS**  trans56.8131.6176.3-60.8179.7-177.1-65.90122.6
539G25.2Very low29.5Very low73 Ų73136.7 Ų136.775%0.75377%0.767SS**  trans90.4154.9139.500000119.6
540L29Very low29.4Very low157 Ų157133.1 Ų133.182%0.82276%0.762SS**  cis-163.9168.7-11.2-155.270.9000110.9
541E25.1Very low29.5Very low132 Ų132132.2 Ų132.262%0.61776%0.756SS**  trans81.5103159-60.5-6379.300125.1
542Q26.6Very low29.7Very low145 Ų145137.2 Ų137.268%0.67877%0.767SS**  50112119.7-60.7-174.354.400124.2
543Y25.7Very low30Very low222 Ų222137.1 Ų137.187%0.87176%0.761SS**  25.7161.8113.5-66.9-62.2000123.1
544P42.2Very low30.2Very low112 Ų112139.6 Ų139.673%0.72777%0.767SS**  cis-139.8173.2-2537.4-18.8000116.4
545A27.4Very low30.4Very low93 Ų93144.2 Ų144.277%0.76977%0.773SS**  trans48.3119143.300000123
546E26.3Very low30.2Very low146 Ų146147.1 Ų147.168%0.68278%0.777SS**  -166.5120.3113-114.9-133.6-162.800111.2K548E546-K548 IonicContact OE1-NZ 2.75Å; E546-K548 PolarHBondContact OE1-NZ 3.09Å; E546-K548 IonicContact OE2-NZ 3.5Å; E546-K548 PolarHBondContact OE2-NZ 3.13Å
547H31.4Very low30.3Very low196 Ų196152.5 Ų152.591%0.90779%0.787SS**  trans-152.7124.3163.2-125.3-81.9000112.5
548K32.8Very low30.3Very low146 Ų146154.9 Ų154.964%0.63579%0.793SS**  trans-96.7142.6-173.2-62.6-177.6170.187.60111.6E546E546-K548 IonicContact OE1-NZ 2.75Å; E546-K548 PolarHBondContact OE1-NZ 3.09Å; E546-K548 IonicContact OE2-NZ 3.5Å; E546-K548 PolarHBondContact OE2-NZ 3.13Å
549P43.9Very low30.5Very low128 Ų128156.5 Ų156.583%0.83179%0.794SS**  trans-85.1146.7-173.533.3-35.8000113.3
550S27.9Very low31Very low109 Ų109159.1 Ų159.176%0.76280%0.795SS**  trans-158.8132.3165.2111.10000115.3
551V27.9Very low31.6Very low122 Ų122157.6 Ų157.674%0.73979%0.794SS**  trans57.491.6152.1-165.90000118.4V553V551-V553 HydrophobicContact CG1-CG2 4.1Å
552I30.7Very low31.6Very low168 Ų168154.5 Ų154.586%0.86280%0.798SS**PPolyproline II helixtrans-96.2120.7151.8-66.3178.2000109.5
553V31.7Very low31.8Very low121 Ų121154 Ų15473%0.73381%0.805SS**PPolyproline II helixtrans-95.4129.6163.61740000108.7V551 R555V551-V553 HydrophobicContact CG1-CG2 4.1Å; V553-R555 PolarHBondContact O-N 3.33Å
554T31.2Very low31.8Very low137 Ų137151.7 Ų151.784%0.8481%0.808SS**PPolyproline II helixtrans-56.5129-172.6510000113.6
555R33.3Very low31.2Very low245 Ų245150.9 Ų150.993%0.92581%0.81SS**  trans-113.2134.7171.3-163.6175.5-174.1-174.11.4110.8V553V553-R555 PolarHBondContact O-N 3.33Å
556R31.4Very low31.3Very low237 Ų237151 Ų15189%0.89481%0.812SS**  trans-67.1141.8177.7-54.1173.8-178.8-162.1-4.8111
557R31Very low31.6Very low251 Ų251148.3 Ų148.395%0.94782%0.815SS**  trans-111.7160.7150.9-75.2-167.9-179.6-129.65.9109.6
558S28.7Very low31.3Very low114 Ų114148 Ų14880%0.79781%0.813SS**  trans-130154.1179.555.20000110.4
559R31.3Very low31.1Very low232 Ų232147 Ų14788%0.87582%0.819SS**  trans-51.3165153.2-87.6175160.9161.2-7.6110
560V36.1Very low30.5Very low129 Ų129149.5 Ų149.578%0.78282%0.82SS**  cis-146.2-164.629-129.70000107.8
561P41.8Very low30.6Very low124 Ų124151 Ų15181%0.80582%0.819SS**  cis-130.1177.114.543.4-25.7000116.8
562G24.6Very low30.7Very low68 Ų68153.6 Ų153.670%0.70183%0.828SS**  trans-171.8123.7162.900000108.1
563T31.1Very low30.5Very low133 Ų133152.2 Ų152.282%0.81682%0.822SS**  trans-154.3130.5-175.1460000110.9
564D25.5Very low30.3Very low174 Ų174153.2 Ų153.293%0.9383%0.829SS**  trans-149.8159.8137.7-108.4-39.2000109.5
565A29.5Very low30.2Very low95 Ų95154.5 Ų154.579%0.78582%0.823SS**  trans-128.9-179.2-176.100000109.3
566A28.6Very low30Very low97 Ų97148.8 Ų148.880%0.80281%0.81SS**  cis-151.1-167.814.300000108.6
567A32.3Very low29.8Very low89 Ų89145.8 Ų145.874%0.73681%0.806SS**  cis-140.6-131.66.200000110.1
568Q25.6Very low29.6Very low189 Ų189137.3 Ų137.388%0.88380%0.797SS**  cis-133.7172.711.1-70.6-178.1-112.600111.7
569V29.3Very low29.8Very low125 Ų125139.7 Ų139.776%0.75880%0.795SS**  trans-137.4146.3179.9-153.60000104.3
570E31.4Very low30Very low180 Ų180133.9 Ų133.984%0.84179%0.787SS**  -163.4146.961-79.5166.515300107.3
571D29.1Very low29.9Very low141 Ų141131.4 Ų131.475%0.75478%0.776SS**  79.9113.758.2-158.84.3000114.4
572L29.6Very low29.4Very low176 Ų176132.9 Ų132.992%0.92178%0.775SS**  trans-155.1146.3168.7-84.4-172.6000110.5
573N27.5Very low29.9Very low139 Ų139139.9 Ų139.974%0.74378%0.781SS**  trans-130.9125.3-167.5163.213.7000112K575N573-K575 PolarHBondContact OD1-N 3.1Å
574V28Very low30.2Very low143 Ų143142.6 Ų142.687%0.86778%0.781SS**  trans-14094.2160.3-174.20000111.8
575K29.1Very low30.7Very low164 Ų164140.7 Ų140.771%0.71378%0.778SS**  39.4123.1126.8-137.7-163.1-178-175.30120.6N573N573-K575 PolarHBondContact OD1-N 3.1Å
576L27.9Very low30.9Very low125 Ų125145.3 Ų145.365%0.65478%0.781SS**  126.8125.1114.2-157.959000118.2
577E28.3Very low31.5Very low174 Ų174149.4 Ų149.481%0.81378%0.783SS**  trans47.3133.8161.7-65.5-42.1111.700122.9
578G26.6Very low32Very low73 Ų73156.6 Ų156.675%0.75379%0.791SS**  trans161.944.2174.300000118.6
579E33.4Very low32.9Very low163 Ų163153.4 Ų153.476%0.76279%0.787SS**  trans-60.3143.7154.6-106.6-78.7110.800108S581E579-S581 VanDerWaalsContact CD-N 3.31Å; E579-S581 PolarHBondContact OE1-N 3.44Å; E579-S581 PolarHBondContact OE2-N 3.17Å; E579-S581 VanDerWaalsContact OE2-N 3.08Å
580P34.2Very low33.8Very low110 Ų110158.6 Ų158.671%0.71479%0.793SS**  -142.6148.756.338.1-19.4000118.7
581S35.3Very low34.5Very low77 Ų77155.9 Ų155.954%0.53879%0.791SS.*  trans52.8112.3135.1-171.40000119.6E579E579-S581 VanDerWaalsContact CD-N 3.31Å; E579-S581 PolarHBondContact OE1-N 3.44Å; E579-S581 PolarHBondContact OE2-N 3.17Å; E579-S581 VanDerWaalsContact OE2-N 3.08Å
582I29.8Very low35.5Very low156 Ų156157.4 Ų157.480%0.879%0.793SS**  trans-148.1105.2133.4-109.7151.2000114.3
583R36.8Very low36.3Very low214 Ų214154.7 Ų154.781%0.80879%0.786SS**  trans41.9101.2131.4-56.4175.1-174.6178.80.6118.5
584K36.3Very low37.1Very low190 Ų190156 Ų15683%0.82679%0.792SS**  trans6.1110.9136.6-61.3174.1-177.71750115.4K586K584-K586 PolarHBondContact O-N 2.92Å
585P35.8Very low37.9Very low134 Ų134156.5 Ų156.587%0.8779%0.789SS**  trans-6696.6160.427.6-32.5000108.7Q587P585-Q587 PolarHBondContact O-N 3.22Å
586K34.7Very low38.6Very low192 Ų192155.8 Ų155.884%0.83579%0.791SS**PPolyproline II helixtrans-53.6134.1177.8-73.9-176.3176.2-178.90109.6K584 R588K584-K586 PolarHBondContact O-N 2.92Å; K586-R588 PolarHBondContact O-N 2.79Å
587Q41.3Very low39Very low184 Ų184155.3 Ų155.386%0.8680%0.795SS**PPolyproline II helixtrans-53.5134.5163.1-68.9-177-300108.5P585 P589P585-Q587 PolarHBondContact O-N 3.22Å; Q587-P589 WeakPolarHBondContact O-CD 3.31Å
588R42Very low39.3Very low240 Ų240153.7 Ų153.791%0.90680%0.797SS**PPolyproline II helixtrans-63.6126.7170.6-68.4-172.9178.7-157.7-1.3108K586K586-R588 PolarHBondContact O-N 2.79Å
589P45.3Very low39.7Very low121 Ų121159.9 Ų159.979%0.78680%0.804SS**PPolyproline II helixtrans-54.7143.4172.6-26.435.7000111.1Q587Q587-P589 WeakPolarHBondContact O-CD 3.31Å
590R47Very low39.6Very low235 Ų235157 Ų15789%0.88781%0.808SS**PPolyproline II helixtrans-68.1125170-166-178.9-163.4167.81.5107E592R590-E592 PolarHBondContact O-N 2.99Å
591P47.3Very low39.5Very low122 Ų122155.2 Ų155.279%0.79281%0.809SS**PPolyproline II helixtrans-64.1137.7179.626.3-33.7000110.3
592E50.2Low39.4Very low174 Ų174158.5 Ų158.581%0.81383%0.826SS**PPolyproline II helixtrans-69.7157.8173.9-70.7-175135.300111.4R590 L594R590-E592 PolarHBondContact O-N 2.99Å; E592-L594 PolarHBondContact O-N 2.82Å
593P45.6Very low39.5Very low118 Ų118160.2 Ų160.277%0.76683%0.828SS**PPolyproline II helixtrans-64.3123.5176.926.6-34.5000111.2I595P593-I595 PolarHBondContact O-N 3.47Å; P593-I595 VanDerWaalsContact O-N 3.1Å
594L44.9Very low39.2Very low168 Ų168158.2 Ų158.288%0.8883%0.832SS**  trans-67.5107.6176.8-75.9168000111.2E592E592-L594 PolarHBondContact O-N 2.82Å
595I43.5Very low39Very low153 Ų153152.9 Ų152.979%0.78582%0.823SS**  trans-76130.5163.1-59.2172.9000107.7P593 P597P593-I595 PolarHBondContact O-N 3.47Å; P593-I595 VanDerWaalsContact O-N 3.1Å; I595-P597 WeakPolarHBondContact O-CD 3.46Å
596I44.4Very low38.8Very low148 Ų148152 Ų15276%0.75982%0.818SS**  trans-99.7114.1175.1-59.2175.8000108.5T598I596-T598 PolarHBondContact O-N 3.1Å
597P36.7Very low38.7Very low116 Ų116149 Ų14975%0.75382%0.818SS**  trans-71.9123.4172.5-14.730.3000110.5I595I595-P597 WeakPolarHBondContact O-CD 3.46Å
598T34.4Very low38.7Very low139 Ų139146.1 Ų146.185%0.85381%0.812SS**  trans-80124169.849.10000110.5I596I596-T598 PolarHBondContact O-N 3.1Å
599K34.8Very low38.2Very low204 Ų204145.6 Ų145.689%0.88781%0.812SS**  trans-126.7141.2162.3-81.6-167.4173.4-173.10110.4
600A31.5Very low37.6Very low103 Ų103144.5 Ų144.585%0.85181%0.807SS**  trans-68.8161.4161.100000110
601G32.4Very low36.9Very low72 Ų72140 Ų14074%0.74280%0.8SS**  cis142.1131.2-2.100000110.5
602T33.3Very low36.2Very low145 Ų145141.4 Ų141.489%0.8980%0.8SS**  trans-135.9137.1-176.9-46.70000110.2
603F30.6Very low35.5Very low192 Ų192139.1 Ų139.184%0.84280%0.798SS**  trans-67138.5-178.3-88.3-136.6000113.3
604I31.2Very low35.2Very low172 Ų172139.4 Ų139.488%0.88280%0.8SS**  -140.4137.9122.3-56.9-173.1000106.6
605A31.4Very low34.7Very low78 Ų78142.5 Ų142.565%0.64580%0.801SS**  trans-105.7139.5-170.900000114
606P31.6Very low34.5Very low117 Ų117143 Ų14376%0.7680%0.8SS**PPolyproline II helixtrans-77.7158.4156.3-12.130000111.6
607P34.3Very low34.1Very low129 Ų129138.8 Ų138.884%0.83878%0.784SS**PPolyproline II helixtrans-76.7157.9-166.730.2-36.4000115.4
608V40.2Very low34.6Very low122 Ų122141.8 Ų141.874%0.73979%0.788SS**PPolyproline II helixtrans-72.1131.3176.9177.20000111.3
609Y31.1Very low35.1Very low230 Ų230141.7 Ų141.790%0.90278%0.781SS**  trans-160.7108.4133.4-99.7-67000110.4
610S33Very low35.7Very low97 Ų97141.6 Ų141.668%0.67878%0.775SS**  trans-76172.6151.4-42.70000107.8
611N31.9Very low36.1Very low140 Ų140141.5 Ų141.575%0.74977%0.769SS**  cis-160.5170.46.942.512.4000107.4
612I32.5Very low36.5Very low152 Ų152143.7 Ų143.778%0.77977%0.77SS**  trans174.9146.6145.9-96155.7000111.6
613T36Very low37.1Very low126 Ų126143 Ų14377%0.77377%0.765SS**  trans64.1126.3-177.858.70000118.3
614P39.3Very low37.9Very low124 Ų124143.8 Ų143.881%0.80576%0.762SS**  trans-99105.2175.835.5-29.4000112.4
615Y33.8Very low38.4Very low234 Ų234142.7 Ų142.792%0.91876%0.758SS**  trans-137.593.1163.8-114.8-89.5000110.1S617Y615-S617 PolarHBondContact O-N 3.07Å
616Q39.6Very low39.1Very low162 Ų162143.8 Ų143.876%0.75777%0.767SS**  trans-74.5115.2179.3-166.6-179.828.200109.9H618Q616-H618 PolarHBondContact O-N 3.09Å
617S36.9Very low40.1Very low61 Ų61144.1 Ų144.143%0.42776%0.762SS.*  trans-76.8108.7-178.965.30000111.5Y615 L619 R620Y615-S617 PolarHBondContact O-N 3.07Å; S617-L619 PolarHBondContact O-N 2.92Å; S617-R620 PolarHBondContact O-N 3.44Å; S617-R620 VanDerWaalsContact O-N 3.17Å; S617-R620 WeakPolarHBondContact OG-CD 3.39Å; S617-R620 WeakPolarHBondContact OG-CG 3.41Å
618H46.2Very low40.4Very low178 Ų178145.3 Ų145.382%0.82476%0.756SS**THydrogen-bonded Turntrans-60.1-0.4173.2-66.7110.6000115.2Q616Q616-H618 PolarHBondContact O-N 3.09Å
619L45.9Very low40.6Very low138 Ų138145.9 Ų145.972%0.72376%0.762SS**THydrogen-bonded Turntrans-107.924176.5-62.6177.3000113.1S617S617-L619 PolarHBondContact O-N 2.92Å
620R46.9Very low41.5Very low201 Ų201140 Ų14076%0.75876%0.755SS**SBendtrans-129.4147166.5-67.9-178.7-179.2-106.80.9109.2S617S617-R620 PolarHBondContact O-N 3.44Å; S617-R620 VanDerWaalsContact O-N 3.17Å; S617-R620 WeakPolarHBondContact OG-CD 3.39Å; S617-R620 WeakPolarHBondContact OG-CG 3.41Å
621S40.9Very low41.8Very low102 Ų102141.5 Ų141.571%0.71375%0.751SS**PPolyproline II helixtrans-56.8143.2169.353.90000110.4V623S621-V623 PolarHBondContact O-N 3.42Å
622P40.7Very low42.6Very low117 Ų117146.7 Ų146.776%0.7676%0.76SS**PPolyproline II helixtrans-50.9125.4177.2-28.435.5000112.1R624P622-R624 PolarHBondContact O-N 3.18Å
623V46.3Very low43.6Very low130 Ų130144.9 Ų144.979%0.78876%0.761SS**PPolyproline II helixtrans-70.2121.1168.8176.70000106.6S621 L625S621-V623 PolarHBondContact O-N 3.42Å; V623-L625 PolarHBondContact O-N 2.87Å; V623-L625 VanDerWaalsContact O-N 3.08Å
624R46Very low44.1Very low209 Ų209146.5 Ų146.579%0.78976%0.758SS**  trans-69.2106.7176-61.7-166.975.2119.34.2109.1P622P622-R624 PolarHBondContact O-N 3.18Å
625L42.1Very low44.4Very low150 Ų150149.1 Ų149.179%0.78576%0.759SS**  trans-63.3146.7150.9-68.9171000107.9V623V623-L625 PolarHBondContact O-N 2.87Å; V623-L625 VanDerWaalsContact O-N 3.08Å
626A46.6Very low44.7Very low101 Ų101144.5 Ų144.584%0.83575%0.749SS**  trans-102.424.9-168.400000113.2
627D51.6Low45.2Very low124 Ų124142.1 Ų142.166%0.66375%0.748SS**  trans-97.3167.1174.7-65.8-66.8000111.4
628H42.1Very low45.6Very low154 Ų154144.8 Ų144.871%0.71376%0.764SS**  trans6764.1-173.3-42.4-73000115.6S630H628-S630 VanDerWaalsContact C-N 3.27Å; H628-S630 PolarHBondContact O-N 2.8Å
629P44Very low45.7Very low133 Ų133145.2 Ų145.286%0.86476%0.76SS**THydrogen-bonded Turntrans-79.18.6179.634.5-38000115.6
630S48.3Very low45.9Very low107 Ų107143.8 Ų143.875%0.74876%0.757SS**THydrogen-bonded Turntrans-138.14.6-16253.40000117.9H628H628-S630 VanDerWaalsContact C-N 3.27Å; H628-S630 PolarHBondContact O-N 2.8Å
631E40.3Very low45.6Very low128 Ų128137.6 Ų137.660%0.59874%0.743SS**  trans-85.4121.9174.4-70.5-161173.100112.7F634E631-F634 HydrophobicContact CB-CD2 4.23Å; E631-F634 WeakPolarHBondContact OE2-CD2 3.45Å
632R48.2Very low46.1Very low250 Ų250137.1 Ų137.194%0.94374%0.737SS**THydrogen-bonded Turntrans-84.6-6.2-172.6-151.4177.3-165.9163.85.5114.8
633S53.2Low46.7Very low114 Ų114135.4 Ų135.480%0.79773%0.726SS**THydrogen-bonded Turntrans-111.610.9-172.1-51.30000113.7E635S633-E635 PolarHBondContact O-N 3.11Å
634F46.7Very low47.1Very low160 Ų160137 Ų13770%0.70273%0.728SS**  trans-82.693.8-175.1-127.1-80.8000111.4E631E631-F634 HydrophobicContact CB-CD2 4.23Å; E631-F634 WeakPolarHBondContact OE2-CD2 3.45Å
635E46.3Very low47.3Very low179 Ų179132 Ų13284%0.83672%0.717SS**PPolyproline II helixtrans-64.4139.8169.1-71.3-161.3128.500111.1S633 P637S633-E635 PolarHBondContact O-N 3.11Å; E635-P637 WeakPolarHBondContact O-CD 3.33Å
636L41.1Very low47.8Very low136 Ų136128.6 Ų128.671%0.71271%0.705SS**PPolyproline II helixtrans-78.7123.2176.5-71.2167.9000109.7
637P48.8Very low48.2Very low113 Ų113127.5 Ų127.573%0.73469%0.69SS**PPolyproline II helixtrans-57.3136.6173.4-25.235000111E635 Y639E635-P637 WeakPolarHBondContact O-CD 3.33Å; P637-Y639 PolarHBondContact O-N 3.21Å
638P45Very low48.3Very low116 Ų116128 Ų12875%0.75370%0.697SS**PPolyproline II helixtrans-61.4136.6-175.723.5-33.3000111.5T640P638-T640 PolarHBondContact O-N 3.15Å; P638-T640 PolarHBondContact O-OG1 3.22Å
639Y49.1Very low48.9Very low188 Ų188128.5 Ų128.574%0.73769%0.692SS**  trans-62.2103.1-176.5175-99.1000111.4P637 P641P637-Y639 PolarHBondContact O-N 3.21Å; Y639-P641 HydrophobicContact CE1-CB 3.92Å; Y639-P641 WeakPolarHBondContact O-CD 3.23Å
640T50.6Low49.5Very low108 Ų108128.8 Ų128.866%0.66368%0.682SS**  trans-85.6112.9171.4-56.10000108.4P638P638-T640 PolarHBondContact O-N 3.15Å; P638-T640 PolarHBondContact O-OG1 3.22Å
641P40.8Very low49.7Very low71 Ų71125.8 Ų125.846%0.46167%0.668SS.*PPolyproline II helixtrans-67.1144.9-178.727.1-34.2000111.1Y639Y639-P641 HydrophobicContact CE1-CB 3.92Å; Y639-P641 WeakPolarHBondContact O-CD 3.23Å
642P50.3Low50.4Low91 Ų91125.6 Ų125.659%0.59168%0.681SS**PPolyproline II helixtrans-61.5146.2176.126.6-34.4000110.9I644P642-I644 PolarHBondContact O-N 3.2Å; P642-I644 VanDerWaalsContact O-N 3.17Å
643P52.5Low50.6Low81 Ų81115.6 Ų115.653%0.52666%0.656SS.*PPolyproline II helixtrans-62.1120.4-171.823.9-33.9000111.6L645P643-L645 PolarHBondContact O-N 3.2Å; P643-L645 VanDerWaalsContact O-N 3.1Å
644I55.1Low50.6Low163 Ų163117.4 Ų117.484%0.83666%0.656SS**SBendtrans-74.31.1-176.5-44.3178.4000111.6P642P642-I644 PolarHBondContact O-N 3.2Å; P642-I644 VanDerWaalsContact O-N 3.17Å
645L50.7Low50.9Low106 Ų106117.8 Ų117.856%0.55565%0.654SS**SBendtrans-129.1145.6175.6-64173000108.7P643P643-L645 PolarHBondContact O-N 3.2Å; P643-L645 VanDerWaalsContact O-N 3.1Å
646S53.1Low51Low77 Ų77113.7 Ų113.754%0.53863%0.633SS.*  trans-56.2134.6174.7-178.40000110.7V648 R649S646-V648 PolarHBondContact O-N 2.81Å; S646-V648 VanDerWaalsContact O-N 3.13Å; S646-V648 PolarHBondContact OG-N 2.82Å; S646-R649 VanDerWaalsContact O-CB 3.31Å; S646-R649 WeakPolarHBondContact O-CB 3.34Å; S646-R649 PolarHBondContact O-N 2.93Å; S646-R649 VanDerWaalsContact O-N 3.09Å
647P54.8Low51.4Low79 Ų79111.6 Ų111.651%0.51362%0.623SS.*THydrogen-bonded Turntrans-56.8-24.8172.2-26.235.4000113.5R649P647-R649 PolarHBondContact O-N 2.94Å
648V53.1Low51.5Low134 Ų134109 Ų10981%0.81261%0.61SS**THydrogen-bonded Turntrans-85.427.2177.5-153.60000111.9S646S646-V648 PolarHBondContact O-N 2.81Å; S646-V648 VanDerWaalsContact O-N 3.13Å; S646-V648 PolarHBondContact OG-N 2.82Å
649R55.3Low52Low164 Ų164107.8 Ų107.862%0.61960%0.597SS**  trans-101.5101.8173.3-174-176.9178.5-153.1-6.6109.6S646 P647 G651S646-R649 VanDerWaalsContact O-CB 3.31Å; S646-R649 WeakPolarHBondContact O-CB 3.34Å; S646-R649 PolarHBondContact O-N 2.93Å; S646-R649 VanDerWaalsContact O-N 3.09Å; P647-R649 PolarHBondContact O-N 2.94Å; R649-G651 PolarHBondContact O-N 3.3Å
650E55.7Low51.9Low139 Ų139102.8 Ų102.865%0.6559%0.586SS**  trans-55.4134.6170.7-67.2171.9-173.600111.5
651G53Low51.6Low44 Ų44101.9 Ų101.945%0.45458%0.584SS.*SBendtrans153.2152.3-176.800000111.5R649 G653R649-G651 PolarHBondContact O-N 3.3Å; G651-G653 PolarHBondContact O-N 3.01Å
652S54.3Low51.8Low125 Ų125103.5 Ų103.587%0.87459%0.593SS**SBendtrans-74.443.3-174.7490000114.7
653G53.3Low51.5Low40 Ų40104 Ų10441%0.41260%0.598SS.*  trans-80.4145.617000000111.5G651 Y655 F656G651-G653 PolarHBondContact O-N 3.01Å; G653-Y655 PolarHBondContact O-N 2.98Å; G653-F656 WeakPolarHBondContact O-CB 3.32Å; G653-F656 PolarHBondContact O-N 2.78Å
654L53.5Low51.1Low151 Ų151104.8 Ų104.879%0.79161%0.606SS**Hα-helixtrans-50.2-34.8-176.8-69163.8000114.1F656 N657 A658L654-F656 VanDerWaalsContact C-N 3.34Å; L654-F656 PolarHBondContact O-N 3.2Å; L654-N657 PolarHBondContact O-N 2.94Å; L654-A658 PolarHBondContact O-N 3.05Å; L654-A658 VanDerWaalsContact O-N 3.13Å
655Y51.9Low50.3Low168 Ų168104 Ų10466%0.65960%0.602SS**Hα-helixtrans-65.2-29.6177.4-60.5-77.1000114.3G653 I659G653-Y655 PolarHBondContact O-N 2.98Å; Y655-I659 WeakPolarHBondContact O-CG1 3.45Å; Y655-I659 PolarHBondContact O-N 2.98Å
656F49.6Very low49.8Very low94 Ų94105 Ų10541%0.41261%0.614SS.*Hα-helixtrans-68.7-48.3177.4-175.8-95000110.3G653 L654 A658 I659 V660G653-F656 WeakPolarHBondContact O-CB 3.32Å; G653-F656 PolarHBondContact O-N 2.78Å; L654-F656 VanDerWaalsContact C-N 3.34Å; L654-F656 PolarHBondContact O-N 3.2Å; F656-A658 VanDerWaalsContact C-N 3.29Å; F656-A658 PolarHBondContact O-N 2.77Å; F656-I659 PolarHBondContact O-N 2.93Å; F656-V660 HydrophobicContact CD1-CG2 4.31Å; F656-V660 HydrophobicContact CE1-CG2 4.01Å; F656-V660 HydrophobicContact CZ-CG2 4.34Å; F656-V660 WeakPolarHBondContact O-CG2 3.49Å; F656-V660 PolarHBondContact O-N 3.32Å; F656-V660 VanDerWaalsContact O-N 3.09Å
657N49.5Very low48.9Very low92 Ų92105.3 Ų105.349%0.49262%0.622SS.*Hα-helixtrans-61-38.1176.2-67.52.6000111.7L654 I659 V660 S661L654-N657 PolarHBondContact O-N 2.94Å; N657-I659 VanDerWaalsContact C-N 3.33Å; N657-I659 PolarHBondContact O-N 2.96Å; N657-V660 PolarHBondContact O-N 3.2Å; N657-S661 WeakPolarHBondContact O-CB 3.16Å; N657-S661 PolarHBondContact O-N 2.82Å; N657-S661 PolarHBondContact O-OG 3.23Å
658A51Low48Very low57 Ų57107.6 Ų107.647%0.47164%0.637SS.*Hα-helixtrans-61.6-37176.500000113.5L654 F656L654-A658 PolarHBondContact O-N 3.05Å; L654-A658 VanDerWaalsContact O-N 3.13Å; F656-A658 VanDerWaalsContact C-N 3.29Å; F656-A658 PolarHBondContact O-N 2.77Å
659I54Low47.3Very low92 Ų92106.6 Ų106.647%0.47263%0.633SS.*Hα-helixtrans-73-41.8177.3-64.3164.8000110.5Y655 F656 N657 T662Y655-I659 WeakPolarHBondContact O-CG1 3.45Å; Y655-I659 PolarHBondContact O-N 2.98Å; F656-I659 PolarHBondContact O-N 2.93Å; N657-I659 VanDerWaalsContact C-N 3.33Å; N657-I659 PolarHBondContact O-N 2.96Å; I659-T662 PolarHBondContact O-N 3.4Å; I659-T662 PolarHBondContact O-OG1 3.26Å
660V48.1Very low46.3Very low82 Ų82105 Ų10550%0.49764%0.644SS.*Hα-helixtrans-66.5-37.9177.6177.10000111.6F656 N657 T662 S663F656-V660 HydrophobicContact CD1-CG2 4.31Å; F656-V660 HydrophobicContact CE1-CG2 4.01Å; F656-V660 HydrophobicContact CZ-CG2 4.34Å; F656-V660 WeakPolarHBondContact O-CG2 3.49Å; F656-V660 PolarHBondContact O-N 3.32Å; F656-V660 VanDerWaalsContact O-N 3.09Å; N657-V660 PolarHBondContact O-N 3.2Å; V660-T662 PolarHBondContact O-N 2.82Å; V660-S663 PolarHBondContact O-N 3Å; V660-S663 PolarHBondContact O-OG 3.5Å; V660-S663 VanDerWaalsContact O-OG 3.09Å
661S44.3Very low45.4Very low89 Ų89105.5 Ų105.562%0.62265%0.65SS**THydrogen-bonded Turntrans-66.5-16.8179.3-67.40000114.7N657 S664N657-S661 WeakPolarHBondContact O-CB 3.16Å; N657-S661 PolarHBondContact O-N 2.82Å; N657-S661 PolarHBondContact O-OG 3.23Å; S661-S664 PolarHBondContact O-OG 2.69Å
662T44.7Very low44.5Very low106 Ų106109.9 Ų109.965%0.6567%0.667SS**THydrogen-bonded Turntrans-89.3-6.8177.555.80000114.2I659 V660 S664I659-T662 PolarHBondContact O-N 3.4Å; I659-T662 PolarHBondContact O-OG1 3.26Å; V660-T662 PolarHBondContact O-N 2.82Å; T662-S664 PolarHBondContact O-N 3.46Å
663S44.6Very low43.7Very low100 Ų100109.5 Ų109.570%0.69966%0.662SS**THydrogen-bonded Turntrans-85.225.2-179.474.60000114.6V660V660-S663 PolarHBondContact O-N 3Å; V660-S663 PolarHBondContact O-OG 3.5Å; V660-S663 VanDerWaalsContact O-OG 3.09Å
664S42.8Very low43.2Very low99 Ų99117.8 Ų117.869%0.69269%0.687SS**THydrogen-bonded Turntrans-101.12.1-174.751.60000114.5S661 T662S661-S664 PolarHBondContact O-OG 2.69Å; T662-S664 PolarHBondContact O-N 3.46Å
665I39.8Very low42.1Very low146 Ų146116.2 Ų116.275%0.74969%0.689SS**SBendtrans-104.9118.4179.7-56.3178.9000109.8
666P39.7Very low41Very low126 Ų126112.9 Ų112.982%0.81870%0.696SS**  trans-88.5111.8-173.132.6-33.5000113.3
667A32.9Very low40.2Very low85 Ų85117.2 Ų117.270%0.70272%0.717SS**  trans-148.3137.9165.600000111
668P37.8Very low39.5Very low127 Ų127124.1 Ų124.183%0.82574%0.736SS**PPolyproline II helixtrans-90.8140.1-174.834-33.9000113.6
669P37.1Very low38.6Very low112 Ų112127 Ų12773%0.72775%0.748SS**PPolyproline II helixtrans-79.4149.7164.832.7-33.4000111.9
670P33.8Very low38.1Very low132 Ų132130.5 Ų130.586%0.85777%0.767SS**PPolyproline II helixtrans-77.1169.4-174.231-36.3000114.8
671I37.1Very low37.4Very low149 Ų149132.9 Ų132.976%0.76478%0.776SS**  trans-110.6136.7-168.4-55166000111.1
672T34.6Very low36.8Very low135 Ų135138.3 Ų138.383%0.82878%0.783SS**  trans180156.7145.517.50000110.3
673P38Very low36.2Very low118 Ų118138.1 Ų138.177%0.76679%0.786SS**  cis-112.7161.2-43.336.2-25.8000111.2
674K42.2Very low35.6Very low213 Ų213140.7 Ų140.793%0.92679%0.792SS**  trans-112.2128.5175.7-69178.7-179.61750111.2
675S30.3Very low35.3Very low119 Ų119141.9 Ų141.983%0.83280%0.8SS**  trans-149.1142.7164.257.60000109.6
676A28.6Very low35Very low98 Ų98139.6 Ų139.681%0.8180%0.797SS**  cis-146.5147.9-20.700000109.1
677H32.9Very low34.9Very low185 Ų185142.5 Ų142.586%0.85680%0.8SS**  trans-102.9114.6177.2-119.1-103.2000110.2
678R36.1Very low35.2Very low236 Ų236145 Ų14589%0.89181%0.806SS**  trans-133101.2151.9-66.4-173.279.6160.53106.2
679T32.1Very low35.1Very low118 Ų118145 Ų14572%0.72480%0.804SS**  70.3103.985.2-52.30000111.9
680L42.3Very low35.3Very low165 Ų165144.5 Ų144.586%0.86480%0.801SS**  trans-69.2144173.7-63.3162.1000111.9
681L33.9Very low35.8Very low133 Ų133143.6 Ų143.670%0.69680%0.795SS**  trans-156.9143.8146.7-61.9-177.6000107.1
682R31.8Very low35.8Very low202 Ų202142.8 Ų142.876%0.76280%0.797SS**  cis-163.1142.7-9.7-113.5-178.1-159129.54.8109.9
683S31.7Very low35.9Very low102 Ų102144.3 Ų144.371%0.71380%0.799SS**  trans63.4160.7144.6-45.80000118.9
684N31.8Very low35.9Very low155 Ų155143.1 Ų143.183%0.82979%0.793SS**  cis-128.3146.917.2-59.2-34.2000113.9
685S36.4Very low36.2Very low124 Ų124140.2 Ų140.287%0.86779%0.793SS**  trans23.1151.1150.8-84.70000124.1
686S35Very low36.6Very low98 Ų98140.1 Ų140.169%0.68578%0.781SS**  cis-154.8130.96.448.40000114.6
687E36.4Very low37.4Very low186 Ų186139.7 Ų139.787%0.86979%0.786SS**  54.779.5125.4-156.1155.8-127.300121
688V38.6Very low37.6Very low139 Ų139136.9 Ų136.984%0.84277%0.773SS**  trans-134.4132.3136.8176.30000108P690V688-P690 VanDerWaalsContact O-CD 3.24Å; V688-P690 WeakPolarHBondContact O-CD 3.11Å
689T36Very low38.1Very low127 Ų127129 Ų12978%0.77976%0.759SS**  trans-67.9114.2-165.8-42.50000114.2
690P42.5Very low38.7Very low101 Ų101128 Ų12866%0.65675%0.753SS**PPolyproline II helixtrans-74143.215932.7-32.3000109.3V688 V692V688-P690 VanDerWaalsContact O-CD 3.24Å; V688-P690 WeakPolarHBondContact O-CD 3.11Å; P690-V692 PolarHBondContact O-N 2.78Å
691P43.9Very low38.9Very low113 Ų113125.7 Ų125.773%0.73475%0.747SS**PPolyproline II helixtrans-63137.4176.726.9-33.9000110.4L693P691-L693 PolarHBondContact O-N 3.41Å
692V36Very low39.8Very low132 Ų132125.8 Ų125.880%0.875%0.753SS**PPolyproline II helixtrans-55.3124175.1176.70000109.1P690 S694P690-V692 PolarHBondContact O-N 2.78Å; V692-S694 VanDerWaalsContact C-N 3.29Å; V692-S694 PolarHBondContact O-N 2.93Å
693L38.3Very low41Very low167 Ų167118.5 Ų118.587%0.87473%0.733SS**  trans-7190.9168.5-70.5178.2000108.5P691 V695P691-L693 PolarHBondContact O-N 3.41Å; L693-V695 PolarHBondContact O-N 2.83Å
694S36.9Very low42.7Very low92 Ų92122.2 Ų122.264%0.64374%0.743SS**  trans-50136.2169.4-64.20000110.3V692 M696V692-S694 VanDerWaalsContact C-N 3.29Å; V692-S694 PolarHBondContact O-N 2.93Å; S694-M696 PolarHBondContact O-N 3.4Å
695V49.7Very low45.1Very low153 Ų153121.4 Ų121.493%0.92773%0.734SS**  trans-68.782.6169.5179.40000108L693 G697L693-V695 PolarHBondContact O-N 2.83Å; V695-G697 PolarHBondContact O-N 2.83Å
696M37.9Very low47.4Very low117 Ų117121.6 Ų121.658%0.57673%0.732SS**  trans-87102.5179.5-106-175.9161.700110.2S694 E698S694-M696 PolarHBondContact O-N 3.4Å; M696-E698 HydrophobicContact CE-CG 4.49Å; M696-E698 VanDerWaalsContact CE-OE2 3.25Å; M696-E698 WeakPolarHBondContact CE-OE2 3.09Å; M696-E698 HydrophobicContact CG-CB 4.37Å; M696-E698 PolarHBondContact O-N 2.99Å; M696-E698 VanDerWaalsContact O-N 3.15Å
697G44.8Very low49.8Very low88 Ų88125.8 Ų125.891%0.90773%0.733SS**  trans-72.522.4158.200000113.3V695V695-G697 PolarHBondContact O-N 2.83Å
698E38.3Very low52.5Low126 Ų126124.2 Ų124.259%0.58973%0.729SS**SBendtrans-100.2123.6173.1-69.4-161.7153.600109.6M696 T700M696-E698 HydrophobicContact CE-CG 4.49Å; M696-E698 VanDerWaalsContact CE-OE2 3.25Å; M696-E698 WeakPolarHBondContact CE-OE2 3.09Å; M696-E698 HydrophobicContact CG-CB 4.37Å; M696-E698 PolarHBondContact O-N 2.99Å; M696-E698 VanDerWaalsContact O-N 3.15Å; E698-T700 PolarHBondContact O-N 3.07Å
699A45.2Very low55Low72 Ų72122.2 Ų122.260%0.59571%0.714SS**  trans-69.474.5169.200000110.1P701A699-P701 VanDerWaalsContact O-CD 3.31Å; A699-P701 WeakPolarHBondContact O-CD 3.33Å; A699-P701 VanDerWaalsContact O-N 3.14Å
700T45.3Very low57.7Low97 Ų97121.6 Ų121.660%0.59571%0.71SS**  trans-60.2115.4168.222.90000107.5E698 V702E698-T700 PolarHBondContact O-N 3.07Å; T700-V702 PolarHBondContact O-N 2.84Å
701P47.5Very low60.1Low115 Ų115118.3 Ų118.375%0.74769%0.694SS**  trans-65114.6-171.124.3-33.2000108.8A699 S703A699-P701 VanDerWaalsContact O-CD 3.31Å; A699-P701 WeakPolarHBondContact O-CD 3.33Å; A699-P701 VanDerWaalsContact O-N 3.14Å; P701-S703 PolarHBondContact O-N 3.47Å
702V52.6Low62.3Low136 Ų136119.6 Ų119.682%0.82470%0.7SS**  trans-55.6103.7178177.70000107.7T700 I704T700-V702 PolarHBondContact O-N 2.84Å; V702-I704 WeakPolarHBondContact O-CG1 3.4Å; V702-I704 PolarHBondContact O-N 3.41Å
703S55.8Low65Low48 Ų48123.6 Ų123.634%0.33670%0.701SS.*  trans-64108.2-167.1630000109.2P701 E705 R707P701-S703 PolarHBondContact O-N 3.47Å; S703-E705 PolarHBondContact O-N 2.83Å; S703-R707 PolarHBondContact OG-NH2 3.41Å
704I67.7Low67.6Low180 Ų180120.8 Ų120.892%0.92368%0.681SS**  trans-75.940.3172.5-36.2-179.7000110V702V702-I704 WeakPolarHBondContact O-CG1 3.4Å; V702-I704 PolarHBondContact O-N 3.41Å
705E82.9Confident70.4Confident139 Ų139120.9 Ų120.965%0.6567%0.672SS**SBendtrans-93.7126.1173.1-178.2164.8-14000107.4S703 R707S703-E705 PolarHBondContact O-N 2.83Å; E705-R707 PolarHBondContact O-N 3.09Å
706P85.1Confident72.5Confident127 Ų127117.6 Ų117.683%0.82566%0.661SS**  trans-69.1103.6-177.827.6-33.9000110.3
707R85Confident75.1Confident186 Ų186121 Ų12170%0.70268%0.675SS**PPolyproline II helixtrans-84.4149.4175-58.6-174.7-175.6-163.21.8110.7S703 E705S703-R707 PolarHBondContact OG-NH2 3.41Å; E705-R707 PolarHBondContact O-N 3.09Å
708I91.9Very high77.4Confident153 Ų153124 Ų12479%0.78567%0.669SS**PPolyproline II helixtrans-82.1125.4172.1-59.5175.2000107.9V710I708-V710 HydrophobicContact CG2-CG2 4.44Å
709N91.6Very high79.8Confident98 Ų98123.3 Ų123.352%0.52468%0.675SS.*PPolyproline II helixtrans-79.9133.7174.4-67.3-20000110.2F714N709-F714 HydrophobicContact CB-CB 4.3Å; N709-F714 HydrophobicContact CB-CD1 3.74Å; N709-F714 HydrophobicContact CB-CD2 3.66Å; N709-F714 HydrophobicContact CB-CE1 3.87Å; N709-F714 HydrophobicContact CB-CE2 3.79Å; N709-F714 HydrophobicContact CB-CG 3.63Å; N709-F714 HydrophobicContact CB-CZ 3.89Å
710V93Very high81.9Confident114 Ų114128.1 Ų128.169%0.69169%0.687SS**  trans-126.8140.9178.3-178.80000108.8I708I708-V710 HydrophobicContact CG2-CG2 4.44Å
711G92.1Very high83.9Confident31 Ų31132.8 Ų132.832%0.3271%0.705SS.*SBendtrans138159.7-17300000111.3R713 F714 Q715G711-R713 PolarHBondContact O-N 3.29Å; G711-F714 PolarHBondContact O-N 3Å; G711-Q715 PolarHBondContact O-N 3.44Å; G711-Q715 VanDerWaalsContact O-N 3.07Å; G711-Q715 PolarHBondContact O-OE1 3.07Å
712T91.1Very high85.8Confident141 Ų141136.4 Ų136.487%0.86570%0.703SS**THydrogen-bonded Turntrans-57.7-15.1-176.651.10000115.4F714T712-F714 VanDerWaalsContact C-N 3.3Å
713R91.8Very high87.6Confident216 Ų216134.6 Ų134.682%0.81569%0.689SS**THydrogen-bonded Turntrans-83.9-0.1172.5-58.2-174-63.6-175.3-1.8114G711G711-R713 PolarHBondContact O-N 3.29Å
714F93.4Very high89.2Confident107 Ų107142.6 Ų142.647%0.46971%0.712SS.*THydrogen-bonded Turntrans-137.3-33.6-171.7-53.3-68.2000113.6N709 G711 T712N709-F714 HydrophobicContact CB-CB 4.3Å; N709-F714 HydrophobicContact CB-CD1 3.74Å; N709-F714 HydrophobicContact CB-CD2 3.66Å; N709-F714 HydrophobicContact CB-CE1 3.87Å; N709-F714 HydrophobicContact CB-CE2 3.79Å; N709-F714 HydrophobicContact CB-CG 3.63Å; N709-F714 HydrophobicContact CB-CZ 3.89Å; G711-F714 PolarHBondContact O-N 3Å; T712-F714 VanDerWaalsContact C-N 3.3Å
715Q94.8Very high90.1Very high95 Ų95137.2 Ų137.244%0.44470%0.695SS.*SBendtrans-72.8148.8164.5-85.665.958.200110.4G711G711-Q715 PolarHBondContact O-N 3.44Å; G711-Q715 VanDerWaalsContact O-N 3.07Å; G711-Q715 PolarHBondContact O-OE1 3.07Å
716A94.3Very high90.2Very high84 Ų84135.7 Ų135.769%0.69469%0.69SS**PPolyproline II helixtrans-74.3144.7162.900000109.8
717E93.8Very high90.2Very high189 Ų189132.4 Ų132.488%0.88367%0.674SS**PPolyproline II helixtrans-65.2131.2160.9-173.3173.6179.500108.5P719E717-P719 WeakPolarHBondContact O-CD 3.16Å
718I91.9Very high90.1Very high151 Ų151127.7 Ų127.777%0.77467%0.674SS**  trans-98.8113.3-179.4-58.7177.7000107.2
719P88.6Confident89.8Confident110 Ų110124.2 Ų124.271%0.71467%0.669SS**PPolyproline II helixtrans-61.4146.1177.8-22.634.3000111.5E717E717-P719 WeakPolarHBondContact O-CD 3.16Å
720M89Confident89.6Confident174 Ų174124.6 Ų124.686%0.85767%0.671SS**PPolyproline II helixtrans-61142.5169.1-62.1-177.173.500109.9R722M720-R722 PolarHBondContact O-N 3.32Å
721M88.4Confident89.3Confident194 Ų194124 Ų12496%0.95667%0.669SS**PPolyproline II helixtrans-62.9124.8177.3-59.5-158.2-54.800109.7
722R86.6Confident89.1Confident191 Ų191130.4 Ų130.472%0.72169%0.691SS**PPolyproline II helixtrans-94.2152.7175.7-55.6-177.777.7175.83109.2M720M720-R722 PolarHBondContact O-N 3.32Å
723D90.6Very high89Confident99 Ų99132.8 Ų132.853%0.52969%0.689SS.*PPolyproline II helixtrans-61.5148.6173.2175.546.5000111.9A725 L726 A727D723-A725 VanDerWaalsContact C-N 3.31Å; D723-A725 PolarHBondContact O-N 3.27Å; D723-A725 VanDerWaalsContact OD2-CB 3.25Å; D723-A725 WeakPolarHBondContact OD2-CB 3.35Å; D723-A725 PolarHBondContact OD2-N 2.9Å; D723-A725 VanDerWaalsContact OD2-N 3.12Å; D723-L726 PolarHBondContact O-N 2.98Å; D723-A727 PolarHBondContact O-N 3.27Å
724R89.2Confident88.8Confident216 Ų216125.4 Ų125.482%0.81567%0.674SS**Hα-helixtrans-63-34-177.7179.9176.7-81.4177.6-6.4112A727 A728R724-A727 PolarHBondContact O-N 3.32Å; R724-A728 WeakPolarHBondContact O-CB 3.44Å; R724-A728 PolarHBondContact O-N 3.02Å
725A87.8Confident88.5Confident67 Ų67125.5 Ų125.555%0.55468%0.679SS**Hα-helixtrans-66.5-43.2176.700000111.4D723 A727 A728 A729D723-A725 VanDerWaalsContact C-N 3.31Å; D723-A725 PolarHBondContact O-N 3.27Å; D723-A725 VanDerWaalsContact OD2-CB 3.25Å; D723-A725 WeakPolarHBondContact OD2-CB 3.35Å; D723-A725 PolarHBondContact OD2-N 2.9Å; D723-A725 VanDerWaalsContact OD2-N 3.12Å; A725-A727 VanDerWaalsContact C-N 3.3Å; A725-A727 PolarHBondContact O-N 2.69Å; A725-A728 PolarHBondContact O-N 3.04Å; A725-A729 PolarHBondContact O-N 3.06Å
726L84.7Confident88.3Confident106 Ų106126.2 Ų126.256%0.55569%0.685SS**Hα-helixtrans-69.1-26.6175.6-63.5179000113.1D723D723-L726 PolarHBondContact O-N 2.98Å
727A84.4Confident88Confident58 Ų58124.8 Ų124.848%0.47967%0.668SS.*Hα-helixtrans-76.3-34.5172.700000112.6D723 R724 A725 A729 D730D723-A727 PolarHBondContact O-N 3.27Å; R724-A727 PolarHBondContact O-N 3.32Å; A725-A727 VanDerWaalsContact C-N 3.3Å; A725-A727 PolarHBondContact O-N 2.69Å; A727-A729 PolarHBondContact O-N 2.79Å; A727-D730 PolarHBondContact O-N 2.94Å
728A83.8Confident87.9Confident87 Ų87120.2 Ų120.272%0.71964%0.643SS**Hα-helixtrans-69.2-21175.900000113.3R724 A725R724-A728 WeakPolarHBondContact O-CB 3.44Å; R724-A728 PolarHBondContact O-N 3.02Å; A725-A728 PolarHBondContact O-N 3.04Å
729A85.9Confident87.8Confident80 Ų80116.3 Ų116.366%0.66162%0.622SS**THydrogen-bonded Turntrans-84.4-3.8174.900000114.5A725 A727 P731A725-A729 PolarHBondContact O-N 3.06Å; A727-A729 PolarHBondContact O-N 2.79Å; A729-P731 WeakPolarHBondContact O-CD 3.5Å
730D86Confident87.8Confident106 Ų106115.4 Ų115.457%0.56762%0.616SS**SBendtrans-75.6118.6176.3-169.728.7000109.9A727 H732A727-D730 PolarHBondContact O-N 2.94Å; D730-H732 PolarHBondContact O-N 3.4Å
731P87.8Confident87.6Confident102 Ų102109.2 Ų109.266%0.66258%0.583SS**PPolyproline II helixtrans-61.5122.1-174.122.8-34000111.9A729 K733A729-P731 WeakPolarHBondContact O-CD 3.5Å; P731-K733 PolarHBondContact O-N 2.85Å
732H86.6Confident87.3Confident166 Ų166107.9 Ų107.977%0.76957%0.574SS**PPolyproline II helixtrans-66.5131.1-175.5-158.970.1000111.7D730 A734D730-H732 PolarHBondContact O-N 3.4Å; H732-A734 VanDerWaalsContact C-N 3.27Å; H732-A734 PolarHBondContact O-N 3.13Å
733K89Confident86.9Confident191 Ų191102.4 Ų102.483%0.8356%0.557SS**SBendtrans-90.824.1-170.8-56-175.1-177.2179.10113.8P731P731-K733 PolarHBondContact O-N 2.85Å
734A88.8Confident86.4Confident60 Ų6098.2 Ų98.250%0.49653%0.534SS..SBendtrans-143.1133.7-179.300000110.5H732H732-A734 VanDerWaalsContact C-N 3.27Å; H732-A734 PolarHBondContact O-N 3.13Å
735D87.4Confident85.8Confident109 Ų10993.4 Ų93.458%0.58352%0.521SS*.  trans-85.7148-179.6-50.8-81.4000112V737 P806D735-V737 PolarHBondContact O-N 2.84Å; D735-P806 HydrophobicContact CB-CB 3.54Å; D735-P806 HydrophobicContact CB-CG 3.89Å
736L89.4Confident85.4Confident110 Ų11095 Ų9558%0.57653%0.528SS*.  trans-77.9110.4175.3-173.166.5000110.3W738 H781L736-W738 VanDerWaalsContact CD1-O 3.31Å; L736-W738 WeakPolarHBondContact CD1-O 3.46Å; L736-H781 PolarHBondContact O-CE1 3.13Å; L736-H781 VanDerWaalsContact O-CE1 3.26Å
737V88.6Confident85.5Confident55 Ų5591.3 Ų91.333%0.33351%0.511SS..  trans-107.7-13.9-178.6-60.90000114.1D735 H781 L807D735-V737 PolarHBondContact O-N 2.84Å; V737-H781 PolarHBondContact O-ND1 2.83Å; V737-L807 HydrophobicContact CB-CD1 4.37Å; V737-L807 HydrophobicContact CG1-CD1 4.18Å; V737-L807 HydrophobicContact CG1-CD2 3.82Å; V737-L807 HydrophobicContact CG1-CG 4.04Å
738W90.7Very high85.7Confident92 Ų9297.1 Ų97.135%0.34852%0.521SS..  trans-158143.9174.8178.7-95000109.5L736 L777 L780 H781L736-W738 VanDerWaalsContact CD1-O 3.31Å; L736-W738 WeakPolarHBondContact CD1-O 3.46Å; W738-L777 HydrophobicContact CE3-CB 4.3Å; W738-L777 HydrophobicContact CE3-CD2 4.44Å; W738-L777 HydrophobicContact CH2-CD2 4.05Å; W738-L777 HydrophobicContact CZ3-CB 4.25Å; W738-L777 HydrophobicContact CZ3-CD2 3.84Å; W738-L777 WeakPolarHBondContact CZ3-O 3.49Å; W738-L780 HydrophobicContact CH2-CD2 4.01Å; W738-L780 HydrophobicContact CH2-CG 4.44Å; W738-L780 HydrophobicContact CZ3-CB 4.27Å; W738-L780 HydrophobicContact CZ3-CD2 4.25Å; W738-L780 HydrophobicContact CZ3-CG 4.37Å; W738-H781 HydrophobicContact CE3-CB 4.05Å; W738-H781 HydrophobicContact CZ3-CB 4.5Å
739Q90.2Very high85.9Confident70 Ų7098 Ų9833%0.32751%0.51SS..  trans-134.7147.2164.168.5-177.51700109.8W741 H781Q739-W741 HydrophobicContact CG-CD2 4.4Å; Q739-W741 HydrophobicContact CG-CH2 4.47Å; Q739-W741 HydrophobicContact CG-CZ2 3.8Å; Q739-W741 PolarHBondContact O-NE1 2.54Å; Q739-H781 PolarHBondContact N-CD2 3.4Å
740P88Confident85.9Confident91 Ų9198 Ų9859%0.59150%0.495SS*.  trans-56.6145.4169.3-23.335000111.1E745P740-E745 WeakPolarHBondContact CB-OE1 3.49Å
741W85.4Confident86Confident43 Ų4396.5 Ų96.516%0.16349%0.485CS..  trans-127.3101.6178.6-68.6103.5000109Q739 H743 L744 E745 R784Q739-W741 HydrophobicContact CG-CD2 4.4Å; Q739-W741 HydrophobicContact CG-CH2 4.47Å; Q739-W741 HydrophobicContact CG-CZ2 3.8Å; Q739-W741 PolarHBondContact O-NE1 2.54Å; W741-H743 AromaticContact CD2-CE1 3.87Å; W741-H743 AromaticContact CE3-CE1 3.46Å; W741-H743 VanDerWaalsContact CE3-CE1 3.46Å; W741-H743 AromaticContact CE3-ND1 3.88Å; W741-H743 PolarHBondContact O-N 3.08Å; W741-H743 VanDerWaalsContact O-N 3.1Å; W741-L744 HydrophobicContact CB-CB 4.22Å; W741-L744 HydrophobicContact CB-CD1 4.05Å; W741-L744 HydrophobicContact CB-CG 4.16Å; W741-L744 HydrophobicContact CG-CD1 4.44Å; W741-L744 WeakPolarHBondContact O-CB 3.39Å; W741-L744 PolarHBondContact O-N 3.22Å; W741-E745 PolarHBondContact O-N 3.03Å; W741-R784 HydrophobicContact CH2-CB 3.68Å; W741-R784 HydrophobicContact CH2-CG 4.21Å; W741-R784 HydrophobicContact CZ2-CB 3.97Å; W741-R784 HydrophobicContact CZ3-CB 4.42Å
742E82.9Confident86.2Confident166 Ų16698.6 Ų98.678%0.77648%0.48SS*.Hα-helixtrans-55.1-34-177.8-60.6-177.8166.200112.2L744 E745 S746E742-L744 VanDerWaalsContact C-N 3.26Å; E742-L744 PolarHBondContact O-N 3.01Å; E742-E745 PolarHBondContact O-N 3.33Å; E742-S746 WeakPolarHBondContact O-CB 3.28Å; E742-S746 PolarHBondContact O-N 3.3Å; E742-S746 PolarHBondContact O-OG 3.43Å
743H78.5Confident86.4Confident77 Ų7795.4 Ų95.436%0.35647%0.465SS..Hα-helixtrans-72-12.5177.873.6-109000114.8W741 K750 R784W741-H743 AromaticContact CD2-CE1 3.87Å; W741-H743 AromaticContact CE3-CE1 3.46Å; W741-H743 VanDerWaalsContact CE3-CE1 3.46Å; W741-H743 AromaticContact CE3-ND1 3.88Å; W741-H743 PolarHBondContact O-N 3.08Å; W741-H743 VanDerWaalsContact O-N 3.1Å; H743-K750 WeakPolarHBondContact O-CD 3.49Å; H743-K750 PolarHBondContact O-NZ 3.4Å; H743-R784 PolarHBondContact CE1-O 3.15Å
744L79Confident86.5Confident10 Ų1086.7 Ų86.75%0.05243%0.428CS..Hα-helixtrans-94.8-46.5169.1-73.6177.8000110.4W741 E742 S746 S747 K750 V754 L780 I787W741-L744 HydrophobicContact CB-CB 4.22Å; W741-L744 HydrophobicContact CB-CD1 4.05Å; W741-L744 HydrophobicContact CB-CG 4.16Å; W741-L744 HydrophobicContact CG-CD1 4.44Å; W741-L744 WeakPolarHBondContact O-CB 3.39Å; W741-L744 PolarHBondContact O-N 3.22Å; E742-L744 VanDerWaalsContact C-N 3.26Å; E742-L744 PolarHBondContact O-N 3.01Å; L744-S746 PolarHBondContact O-N 3.09Å; L744-S747 PolarHBondContact O-N 2.88Å; L744-K750 HydrophobicContact CD2-CB 4.11Å; L744-K750 HydrophobicContact CD2-CD 4.33Å; L744-V754 HydrophobicContact CD1-CG2 4.26Å; L744-V754 HydrophobicContact CD2-CG2 4.08Å; L744-L780 HydrophobicContact CD1-CD1 4.34Å; L744-L780 HydrophobicContact CD1-CD2 4.06Å; L744-L780 HydrophobicContact CD1-CG 4.29Å; L744-I787 HydrophobicContact CD2-CD1 4.05Å; L744-I787 HydrophobicContact CD2-CG1 4.22Å
745E76.6Confident86.6Confident115 Ų11587.7 Ų87.754%0.53743%0.425SS..Hα-helixtrans-71.3-28.9-174.9-66.6176.8-154.300113.2P740 W741 E742 S747P740-E745 WeakPolarHBondContact CB-OE1 3.49Å; W741-E745 PolarHBondContact O-N 3.03Å; E742-E745 PolarHBondContact O-N 3.33Å; E745-S747 VanDerWaalsContact C-N 3.34Å; E745-S747 PolarHBondContact O-N 3.01Å
746S79.5Confident86.8Confident100 Ų10086.4 Ų86.470%0.69942%0.418SS*.THydrogen-bonded Turntrans-72-19.5178.254.30000114.9E742 L744E742-S746 WeakPolarHBondContact O-CB 3.28Å; E742-S746 PolarHBondContact O-N 3.3Å; E742-S746 PolarHBondContact O-OG 3.43Å; L744-S746 PolarHBondContact O-N 3.09Å
747S86.3Confident86.8Confident30 Ų3081.6 Ų81.621%0.2139%0.392CS..  trans-114.5116178.71750000110.9L744 E745 E749 K750 Q751L744-S747 PolarHBondContact O-N 2.88Å; E745-S747 VanDerWaalsContact C-N 3.34Å; E745-S747 PolarHBondContact O-N 3.01Å; S747-E749 PolarHBondContact O-N 3.09Å; S747-E749 VanDerWaalsContact O-N 3.14Å; S747-E749 PolarHBondContact OG-N 3.33Å; S747-K750 PolarHBondContact O-N 3.18Å; S747-K750 VanDerWaalsContact O-N 3.09Å; S747-K750 PolarHBondContact OG-N 2.87Å; S747-Q751 PolarHBondContact O-N 3.24Å
748W88.3Confident86.9Confident179 Ų17980.2 Ų80.268%0.67838%0.383SS*.Hα-helixtrans-57.5-28.2174.877.5-85.1000112.5R752W748-R752 WeakPolarHBondContact O-CB 3.44Å; W748-R752 PolarHBondContact O-N 3.4Å
749E88.4Confident86.8Confident106 Ų10680.2 Ų80.250%0.49539%0.394SS..Hα-helixtrans-71.9-43177.6-57.4179.9169.800111.1S747 R752 Q753S747-E749 PolarHBondContact O-N 3.09Å; S747-E749 VanDerWaalsContact O-N 3.14Å; S747-E749 PolarHBondContact OG-N 3.33Å; E749-R752 PolarHBondContact O-N 2.75Å; E749-Q753 VanDerWaalsContact O-CG 3.27Å; E749-Q753 WeakPolarHBondContact O-CG 3.38Å; E749-Q753 PolarHBondContact O-N 3.31Å
750K85.9Confident86.6Confident80 Ų8078.4 Ų78.435%0.34839%0.39SS..Hα-helixtrans-70.7-41175.6-68-178.5-177.9-176.90111.9H743 L744 S747 R752 Q753 V754H743-K750 WeakPolarHBondContact O-CD 3.49Å; H743-K750 PolarHBondContact O-NZ 3.4Å; L744-K750 HydrophobicContact CD2-CB 4.11Å; L744-K750 HydrophobicContact CD2-CD 4.33Å; S747-K750 PolarHBondContact O-N 3.18Å; S747-K750 VanDerWaalsContact O-N 3.09Å; S747-K750 PolarHBondContact OG-N 2.87Å; K750-R752 PolarHBondContact O-N 2.98Å; K750-Q753 CarbonylContact O-C 3.6Å; K750-Q753 WeakPolarHBondContact O-CB 3.48Å; K750-Q753 PolarHBondContact O-N 3.27Å; K750-Q753 VanDerWaalsContact O-N 3.07Å; K750-V754 WeakPolarHBondContact O-CG2 3.1Å; K750-V754 PolarHBondContact O-N 2.94Å
751Q89.5Confident86.5Confident75 Ų7574 Ų7435%0.3536%0.362SS..Hα-helixtrans-56.9-42.3172-179.556.853.200110.9S747 V754 D755S747-Q751 PolarHBondContact O-N 3.24Å; Q751-V754 PolarHBondContact O-N 3.31Å; Q751-D755 PolarHBondContact NE2-OD1 3.19Å; Q751-D755 PolarHBondContact O-N 3.01Å
752R91.4Very high86.2Confident146 Ų14674.6 Ų74.655%0.55137%0.372SS*.Hα-helixtrans-64.8-41.8172.7179.5-177.9165.3-167.2-3.2112.5W748 E749 K750 V754 D755 D756W748-R752 WeakPolarHBondContact O-CB 3.44Å; W748-R752 PolarHBondContact O-N 3.4Å; E749-R752 PolarHBondContact O-N 2.75Å; K750-R752 PolarHBondContact O-N 2.98Å; R752-V754 PolarHBondContact O-N 3.4Å; R752-D755 PolarHBondContact O-N 3.17Å; R752-D755 VanDerWaalsContact O-N 3.15Å; R752-D756 IonicContact NE-OD2 2.78Å; R752-D756 PolarHBondContact NE-OD2 3.5Å; R752-D756 IonicContact NH2-OD2 2.7Å; R752-D756 WeakPolarHBondContact O-CB 3.31Å; R752-D756 PolarHBondContact O-N 3.35Å
753Q90.7Very high86.2Confident98 Ų9869 Ų6946%0.45835%0.351SS..Hα-helixtrans-61.7-33.1175.2-72.11641.900112.1E749 K750 L757 I787E749-Q753 VanDerWaalsContact O-CG 3.27Å; E749-Q753 WeakPolarHBondContact O-CG 3.38Å; E749-Q753 PolarHBondContact O-N 3.31Å; K750-Q753 CarbonylContact O-C 3.6Å; K750-Q753 WeakPolarHBondContact O-CB 3.48Å; K750-Q753 PolarHBondContact O-N 3.27Å; K750-Q753 VanDerWaalsContact O-N 3.07Å; Q753-L757 WeakPolarHBondContact O-CB 3.4Å; Q753-L757 PolarHBondContact O-N 2.87Å; Q753-I787 HydrophobicContact CB-CD1 3.6Å
754V91.1Very high86Confident9 Ų970.9 Ų70.96%0.05537%0.373CS..Hα-helixtrans-68.9-44.7170.9174.30000111L744 K750 Q751 R752 D756 L757 L758 L780 I787L744-V754 HydrophobicContact CD1-CG2 4.26Å; L744-V754 HydrophobicContact CD2-CG2 4.08Å; K750-V754 WeakPolarHBondContact O-CG2 3.1Å; K750-V754 PolarHBondContact O-N 2.94Å; Q751-V754 PolarHBondContact O-N 3.31Å; R752-V754 PolarHBondContact O-N 3.4Å; V754-D756 VanDerWaalsContact C-N 3.31Å; V754-D756 PolarHBondContact O-N 3.2Å; V754-L757 WeakPolarHBondContact O-CB 3.44Å; V754-L757 PolarHBondContact O-N 3.49Å; V754-L758 HydrophobicContact CG1-CD1 4.05Å; V754-L758 HydrophobicContact CG1-CG 4.31Å; V754-L758 WeakPolarHBondContact O-CB 3.41Å; V754-L758 VanDerWaalsContact O-CG 3.27Å; V754-L758 WeakPolarHBondContact O-CG 3.33Å; V754-L758 PolarHBondContact O-N 3.07Å; V754-L780 HydrophobicContact CG1-CD2 3.88Å; V754-L780 HydrophobicContact CG2-CD2 3.84Å; V754-I787 HydrophobicContact CG2-CD1 3.82Å; V754-I787 HydrophobicContact CG2-CG1 4.19Å
755D91.1Very high85.8Confident80 Ų8075.6 Ų75.643%0.42840%0.397SS..Hα-helixtrans-61.8-38.3174.8-71-25000112.2Q751 R752 L758 T759Q751-D755 PolarHBondContact NE2-OD1 3.19Å; Q751-D755 PolarHBondContact O-N 3.01Å; R752-D755 PolarHBondContact O-N 3.17Å; R752-D755 VanDerWaalsContact O-N 3.15Å; D755-L758 PolarHBondContact O-N 3.23Å; D755-T759 WeakPolarHBondContact O-CB 3.14Å; D755-T759 PolarHBondContact O-N 2.9Å; D755-T759 PolarHBondContact O-OG1 2.69Å
756D91.2Very high85.7Confident83 Ų8370.5 Ų70.544%0.44437%0.373SS..Hα-helixtrans-67.8-39.3174.5-74.4-32.2000110.7R752 V754 T759 A760R752-D756 IonicContact NE-OD2 2.78Å; R752-D756 PolarHBondContact NE-OD2 3.5Å; R752-D756 IonicContact NH2-OD2 2.7Å; R752-D756 WeakPolarHBondContact O-CB 3.31Å; R752-D756 PolarHBondContact O-N 3.35Å; V754-D756 VanDerWaalsContact C-N 3.31Å; V754-D756 PolarHBondContact O-N 3.2Å; D756-T759 PolarHBondContact O-N 2.9Å; D756-A760 WeakPolarHBondContact O-CB 3.33Å; D756-A760 PolarHBondContact O-N 3.28Å
757L89.6Confident84.9Confident8 Ų869.5 Ų69.54%0.04236%0.364CS..Hα-helixtrans-63.1-45.3171.2175.566.5000112.2Q753 V754 T759 A760 A761 I787 A790 L791Q753-L757 WeakPolarHBondContact O-CB 3.4Å; Q753-L757 PolarHBondContact O-N 2.87Å; V754-L757 WeakPolarHBondContact O-CB 3.44Å; V754-L757 PolarHBondContact O-N 3.49Å; L757-T759 PolarHBondContact O-N 2.83Å; L757-A760 PolarHBondContact O-N 3.13Å; L757-A761 WeakPolarHBondContact O-CB 3.4Å; L757-A761 PolarHBondContact O-N 3.36Å; L757-I787 HydrophobicContact CB-CG2 4.37Å; L757-I787 HydrophobicContact CD2-CG2 4.05Å; L757-A790 HydrophobicContact CD2-CB 4.39Å; L757-L791 HydrophobicContact CD1-CB 4.05Å; L757-L791 HydrophobicContact CD1-CD1 4.2Å; L757-L791 HydrophobicContact CD1-CG 4.38Å
758L89.6Confident83.8Confident26 Ų2669.1 Ų69.114%0.13637%0.365CS..Hα-helixtrans-67.8-26.1177.5-67.1175.4000112.5V754 D755 Q773 A776 L777V754-L758 HydrophobicContact CG1-CD1 4.05Å; V754-L758 HydrophobicContact CG1-CG 4.31Å; V754-L758 WeakPolarHBondContact O-CB 3.41Å; V754-L758 VanDerWaalsContact O-CG 3.27Å; V754-L758 WeakPolarHBondContact O-CG 3.33Å; V754-L758 PolarHBondContact O-N 3.07Å; D755-L758 PolarHBondContact O-N 3.23Å; L758-Q773 HydrophobicContact CD2-CB 4.37Å; L758-Q773 PolarHBondContact O-NE2 3.09Å; L758-Q773 VanDerWaalsContact O-NE2 3.15Å; L758-A776 HydrophobicContact CD2-CB 3.88Å; L758-L777 HydrophobicContact CD1-CD2 4.2Å; L758-L777 HydrophobicContact CD2-CD2 3.99Å; L758-L777 HydrophobicContact CD2-CG 3.87Å
759T89.1Confident81.9Confident93 Ų9363.5 Ų63.557%0.57136%0.357SS*.Hα-helixtrans-75.7-43.8171.4-59.90000110.7D755 D756 L757 A761 C762 S763D755-T759 WeakPolarHBondContact O-CB 3.14Å; D755-T759 PolarHBondContact O-N 2.9Å; D755-T759 PolarHBondContact O-OG1 2.69Å; D756-T759 PolarHBondContact O-N 2.9Å; L757-T759 PolarHBondContact O-N 2.83Å; T759-A761 VanDerWaalsContact C-N 3.31Å; T759-A761 PolarHBondContact O-N 2.88Å; T759-C762 PolarHBondContact O-N 3.24Å; T759-C762 VanDerWaalsContact O-N 3.15Å; T759-S763 PolarHBondContact O-N 3Å
760A86.6Confident80.4Confident31 Ų3160.6 Ų60.626%0.25636%0.356SS..Hα-helixtrans-60.1-40.1173.100000111.8D756 L757 C762 S763 F766D756-A760 WeakPolarHBondContact O-CB 3.33Å; D756-A760 PolarHBondContact O-N 3.28Å; L757-A760 PolarHBondContact O-N 3.13Å; A760-C762 PolarHBondContact O-N 3.36Å; A760-S763 WeakPolarHBondContact O-CB 3.46Å; A760-S763 PolarHBondContact O-N 3.33Å; A760-S763 PolarHBondContact O-OG 3.2Å; A760-F766 HydrophobicContact CB-CE2 4.13Å; A760-F766 VanDerWaalsContact O-CD2 3.31Å; A760-F766 WeakPolarHBondContact O-CD2 3.45Å; A760-F766 WeakPolarHBondContact O-CE2 3.43Å
761A85.3Confident79.2Confident0 Ų059 Ų590%035%0.352CS..THydrogen-bonded Turntrans-58.9-26.9175.600000113.7L757 T759 A776 L794L757-A761 WeakPolarHBondContact O-CB 3.4Å; L757-A761 PolarHBondContact O-N 3.36Å; T759-A761 VanDerWaalsContact C-N 3.31Å; T759-A761 PolarHBondContact O-N 2.88Å; A761-A776 HydrophobicContact CB-CB 3.76Å; A761-L794 HydrophobicContact CB-CD2 3.97Å
762C80.3Confident78.4Confident54 Ų5455.7 Ų55.737%0.36534%0.337SS..THydrogen-bonded Turntrans-86.5-8.5173.1-85.60000114.3T759 A760 Q773T759-C762 PolarHBondContact O-N 3.24Å; T759-C762 VanDerWaalsContact O-N 3.15Å; A760-C762 PolarHBondContact O-N 3.36Å; C762-Q773 WeakPolarHBondContact SG-CG 3.32Å
763S81.1Confident78.2Confident48 Ų4853 Ų5334%0.33633%0.331SS..SBendtrans-87.5169.7-17880.80000112.8T759 A760 I765T759-S763 PolarHBondContact O-N 3Å; A760-S763 WeakPolarHBondContact O-CB 3.46Å; A760-S763 PolarHBondContact O-N 3.33Å; A760-S763 PolarHBondContact O-OG 3.2Å; S763-I765 PolarHBondContact O-N 3.07Å; S763-I765 VanDerWaalsContact O-N 3.14Å; S763-I765 WeakPolarHBondContact OG-CG2 3.48Å; S763-I765 PolarHBondContact OG-N 3.28Å
764S75.2Confident78Confident118 Ų11851.6 Ų51.683%0.82532%0.324SS*.THydrogen-bonded Turntrans-72.64178.955.90000114.9F766S764-F766 VanDerWaalsContact C-N 3.28Å; S764-F766 PolarHBondContact O-N 3.3Å
765I75.8Confident77.7Confident109 Ų10952 Ų5256%0.55933%0.326SS*.THydrogen-bonded Turntrans-70.8-23.5177-159.9174.8000112.5S763S763-I765 PolarHBondContact O-N 3.07Å; S763-I765 VanDerWaalsContact O-N 3.14Å; S763-I765 WeakPolarHBondContact OG-CG2 3.48Å; S763-I765 PolarHBondContact OG-N 3.28Å
766F73.4Confident77.6Confident8 Ų848.3 Ų48.34%0.03531%0.307CS..SBendtrans-110.8143.8-178.2-61-67.6000112.4A760 S764 L794 L795A760-F766 HydrophobicContact CB-CE2 4.13Å; A760-F766 VanDerWaalsContact O-CD2 3.31Å; A760-F766 WeakPolarHBondContact O-CD2 3.45Å; A760-F766 WeakPolarHBondContact O-CE2 3.43Å; S764-F766 VanDerWaalsContact C-N 3.28Å; S764-F766 PolarHBondContact O-N 3.3Å; F766-L794 HydrophobicContact CD1-CB 4.22Å; F766-L794 HydrophobicContact CD1-CD2 4.2Å; F766-L794 HydrophobicContact CD1-CG 3.64Å; F766-L794 WeakPolarHBondContact CD1-O 3.26Å; F766-L794 HydrophobicContact CD2-CD2 3.93Å; F766-L794 HydrophobicContact CD2-CG 4.19Å; F766-L794 HydrophobicContact CE1-CB 3.78Å; F766-L794 HydrophobicContact CE1-CD2 3.85Å; F766-L794 HydrophobicContact CE1-CG 3.55Å; F766-L794 HydrophobicContact CE2-CD2 3.58Å; F766-L794 HydrophobicContact CE2-CG 4.12Å; F766-L794 HydrophobicContact CG-CD2 4.23Å; F766-L794 HydrophobicContact CG-CG 3.95Å; F766-L794 HydrophobicContact CZ-CB 4.2Å; F766-L794 HydrophobicContact CZ-CD2 3.54Å; F766-L794 HydrophobicContact CZ-CG 3.81Å; F766-L795 HydrophobicContact CD1-CD2 3.97Å; F766-L795 HydrophobicContact CE1-CB 4.48Å; F766-L795 HydrophobicContact CE1-CD2 3.51Å; F766-L795 HydrophobicContact CE1-CG 3.79Å; F766-L795 HydrophobicContact CZ-CD2 4.41Å
767P62.9Low77.6Confident79 Ų7947.2 Ų47.251%0.51330%0.3SS..THydrogen-bonded Turntrans-64.5149173.428.3-34.2000111.5N772P767-N772 PolarHBondContact O-ND2 3.37Å; P767-N772 VanDerWaalsContact O-ND2 3.11Å
768G62.7Low77.5Confident21 Ų2147.9 Ų47.922%0.21630%0.303CS..THydrogen-bonded Turntrans74.627.6-172.600000114.1G770G768-G770 PolarHBondContact O-N 2.96Å
769A49.6Very low77.5Confident61 Ų6147.1 Ų47.150%0.50430%0.298SS..THydrogen-bonded Turntrans-50.7121-17400000114.3
770G56.5Low77.5Confident46 Ų4642.7 Ų42.747%0.47427%0.271SS..THydrogen-bonded Turntrans161-37.2170.200000115.2G768G768-G770 PolarHBondContact O-N 2.96Å
771T60.6Low77.7Confident46 Ų4642.8 Ų42.828%0.28227%0.267SS..  trans-148.77.8-162.131.70000115Q773 T813 G814T771-Q773 PolarHBondContact O-N 3.1Å; T771-T813 VanDerWaalsContact CB-O 3.25Å; T771-T813 WeakPolarHBondContact CB-O 3.37Å; T771-T813 PolarHBondContact OG1-O 3.39Å; T771-G814 VanDerWaalsContact OG1-CA 3.26Å; T771-G814 WeakPolarHBondContact OG1-CA 3.43Å
772N72.9Confident77.9Confident6 Ų645.8 Ų45.83%0.03228%0.281CS..THydrogen-bonded Turntrans-69.618-170.1-64.4-19.9000116.1P767 E774 L775 A776P767-N772 PolarHBondContact O-ND2 3.37Å; P767-N772 VanDerWaalsContact O-ND2 3.11Å; N772-E774 VanDerWaalsContact C-N 3.34Å; N772-L775 HydrophobicContact CB-CB 4.23Å; N772-L775 HydrophobicContact CB-CD2 4.47Å; N772-L775 PolarHBondContact O-N 3.41Å; N772-A776 WeakPolarHBondContact O-CB 3.48Å; N772-A776 PolarHBondContact O-N 3.25Å
773Q85.9Confident78.3Confident89 Ų8943.4 Ų43.442%0.41627%0.265SS..Hα-helixtrans-63.3-40.3174.9-57.2-165.3-50.900111.6L758 C762 T771 L775 A776 L777L758-Q773 HydrophobicContact CD2-CB 4.37Å; L758-Q773 PolarHBondContact O-NE2 3.09Å; L758-Q773 VanDerWaalsContact O-NE2 3.15Å; C762-Q773 WeakPolarHBondContact SG-CG 3.32Å; T771-Q773 PolarHBondContact O-N 3.1Å; Q773-L775 VanDerWaalsContact C-N 3.31Å; Q773-L775 PolarHBondContact O-N 3.43Å; Q773-A776 PolarHBondContact O-N 3.35Å; Q773-L777 WeakPolarHBondContact O-CG 3.29Å; Q773-L777 PolarHBondContact O-N 3.38Å
774E87.1Confident78.6Confident69 Ų6950.5 Ų50.532%0.32228%0.284SS..Hα-helixtrans-61.2-39.7173.3-65.2171.3159.400111.2N772 H778 Y812 T813N772-E774 VanDerWaalsContact C-N 3.34Å; E774-H778 WeakPolarHBondContact O-CB 3.19Å; E774-H778 PolarHBondContact O-CD2 3.27Å; E774-H778 PolarHBondContact O-N 3.03Å; E774-Y812 HydrophobicContact CB-CD1 3.96Å; E774-Y812 HydrophobicContact CB-CE1 4.2Å; E774-T813 PolarHBondContact OE2-OG1 3.2Å; E774-T813 VanDerWaalsContact OE2-OG1 3.14Å
775L86Confident79.2Confident18 Ų1845 Ų459%0.09425%0.246CC..Hα-helixtrans-68.6-42.3177.2178.361.2000112N772 Q773 H778 Y779 L794 Y812N772-L775 HydrophobicContact CB-CB 4.23Å; N772-L775 HydrophobicContact CB-CD2 4.47Å; N772-L775 PolarHBondContact O-N 3.41Å; Q773-L775 VanDerWaalsContact C-N 3.31Å; Q773-L775 PolarHBondContact O-N 3.43Å; L775-H778 PolarHBondContact O-N 3.44Å; L775-Y779 HydrophobicContact CD1-CD2 3.95Å; L775-Y779 HydrophobicContact CD1-CE2 3.72Å; L775-Y779 HydrophobicContact CD2-CE2 4.35Å; L775-Y779 HydrophobicContact CG-CD2 4.01Å; L775-Y779 HydrophobicContact CG-CE2 3.94Å; L775-Y779 PolarHBondContact O-N 3.47Å; L775-L794 HydrophobicContact CD2-CD1 3.7Å; L775-L794 HydrophobicContact CG-CD1 3.82Å; L775-Y812 HydrophobicContact CB-CD1 3.87Å; L775-Y812 HydrophobicContact CB-CE1 3.74Å; L775-Y812 HydrophobicContact CB-CG 4.4Å; L775-Y812 HydrophobicContact CD1-CD2 4.38Å; L775-Y812 HydrophobicContact CD1-CE1 4.05Å; L775-Y812 HydrophobicContact CD1-CE2 3.75Å
776A89.1Confident79.9Confident2 Ų243.6 Ų43.62%0.01724%0.239CC..Hα-helixtrans-64.5-41176.500000112.2L758 A761 N772 Q773 Y779 L780 L794L758-A776 HydrophobicContact CD2-CB 3.88Å; A761-A776 HydrophobicContact CB-CB 3.76Å; N772-A776 WeakPolarHBondContact O-CB 3.48Å; N772-A776 PolarHBondContact O-N 3.25Å; Q773-A776 PolarHBondContact O-N 3.35Å; A776-Y779 PolarHBondContact O-N 2.88Å; A776-L780 WeakPolarHBondContact O-CB 3.42Å; A776-L780 PolarHBondContact O-N 3.46Å; A776-L794 HydrophobicContact CB-CD2 4.03Å
777L89.5Confident80.7Confident59 Ų5944.5 Ų44.531%0.30924%0.244SC..Hα-helixtrans-64.3-44.5173.2-70.9173000112.1W738 L758 Q773 Y779 L780 H781W738-L777 HydrophobicContact CE3-CB 4.3Å; W738-L777 HydrophobicContact CE3-CD2 4.44Å; W738-L777 HydrophobicContact CH2-CD2 4.05Å; W738-L777 HydrophobicContact CZ3-CB 4.25Å; W738-L777 HydrophobicContact CZ3-CD2 3.84Å; W738-L777 WeakPolarHBondContact CZ3-O 3.49Å; L758-L777 HydrophobicContact CD1-CD2 4.2Å; L758-L777 HydrophobicContact CD2-CD2 3.99Å; L758-L777 HydrophobicContact CD2-CG 3.87Å; Q773-L777 WeakPolarHBondContact O-CG 3.29Å; Q773-L777 PolarHBondContact O-N 3.38Å; L777-Y779 VanDerWaalsContact C-N 3.31Å; L777-Y779 PolarHBondContact O-N 3.47Å; L777-L780 PolarHBondContact O-N 3.12Å; L777-H781 PolarHBondContact O-N 3.11Å
778H88.9Confident81.9Confident23 Ų2347 Ų4711%0.10625%0.253CS..Hα-helixtrans-63.6-36.6176.7-68.5179.1000111.8E774 L775 E782 L807 Y810 Y812E774-H778 WeakPolarHBondContact O-CB 3.19Å; E774-H778 PolarHBondContact O-CD2 3.27Å; E774-H778 PolarHBondContact O-N 3.03Å; L775-H778 PolarHBondContact O-N 3.44Å; H778-E782 WeakPolarHBondContact O-CB 3.12Å; H778-E782 PolarHBondContact O-N 2.9Å; H778-L807 HydrophobicContact CB-CD1 3.84Å; H778-L807 VanDerWaalsContact ND1-CD1 3.34Å; H778-L807 WeakPolarHBondContact ND1-CD1 3.49Å; H778-Y810 AromaticContact CE1-CE1 3.99Å; H778-Y812 WeakPolarHBondContact CB-OH 3.5Å; H778-Y812 AromaticContact ND1-CE1 3.36Å; H778-Y812 WeakPolarHBondContact ND1-CE1 3.36Å; H778-Y812 AromaticContact ND1-CZ 3.48Å; H778-Y812 PolarHBondContact ND1-OH 3.42Å
779Y88.2Confident83.2Confident9 Ų950.2 Ų50.24%0.03526%0.262CS..Hα-helixtrans-71.5-35.8172.2-80.3-39.6000113.7L775 A776 L777 H781 E782 S783 K793 L794 P799 R801L775-Y779 HydrophobicContact CD1-CD2 3.95Å; L775-Y779 HydrophobicContact CD1-CE2 3.72Å; L775-Y779 HydrophobicContact CD2-CE2 4.35Å; L775-Y779 HydrophobicContact CG-CD2 4.01Å; L775-Y779 HydrophobicContact CG-CE2 3.94Å; L775-Y779 PolarHBondContact O-N 3.47Å; A776-Y779 PolarHBondContact O-N 2.88Å; L777-Y779 VanDerWaalsContact C-N 3.31Å; L777-Y779 PolarHBondContact O-N 3.47Å; Y779-H781 VanDerWaalsContact C-N 3.28Å; Y779-H781 PolarHBondContact O-N 3.28Å; Y779-E782 WeakPolarHBondContact CD1-OE2 3.16Å; Y779-E782 CarbonylContact O-C 3.36Å; Y779-E782 PolarHBondContact O-N 2.85Å; Y779-S783 VanDerWaalsContact O-CB 3.32Å; Y779-S783 WeakPolarHBondContact O-CB 2.9Å; Y779-S783 PolarHBondContact O-N 2.87Å; Y779-S783 PolarHBondContact O-OG 3.07Å; Y779-S783 VanDerWaalsContact O-OG 3.09Å; Y779-K793 HydrophobicContact CD1-CB 3.75Å; Y779-K793 HydrophobicContact CD1-CD 3.93Å; Y779-K793 HydrophobicContact CD1-CG 4.39Å; Y779-K793 HydrophobicContact CD2-CB 4.05Å; Y779-K793 HydrophobicContact CE1-CB 3.78Å; Y779-K793 HydrophobicContact CE1-CD 4.32Å; Y779-K793 HydrophobicContact CE1-CG 4.45Å; Y779-K793 HydrophobicContact CE2-CB 4.04Å; Y779-K793 VanDerWaalsContact CE2-O 3.28Å; Y779-K793 WeakPolarHBondContact CE2-O 3.44Å; Y779-K793 HydrophobicContact CG-CB 3.89Å; Y779-K793 PolarHBondContact OH-O 3.41Å; Y779-L794 HydrophobicContact CD2-CB 4.12Å; Y779-L794 HydrophobicContact CD2-CD1 3.99Å; Y779-L794 HydrophobicContact CE2-CB 4.35Å; Y779-L794 HydrophobicContact CE2-CD1 4.1Å; Y779-P799 WeakPolarHBondContact OH-CA 3.25Å; Y779-P799 WeakPolarHBondContact OH-CB 3.2Å; Y779-R801 VanDerWaalsContact CE1-NH2 3.32Å
780L90.5Very high85.1Confident0 Ų047.3 Ų47.30%024%0.239CC..Hα-helixtrans-64.6-35.3174.9-174.562.2000111.4W738 L744 V754 A776 L777 S783 R784 G785 I787 A790W738-L780 HydrophobicContact CH2-CD2 4.01Å; W738-L780 HydrophobicContact CH2-CG 4.44Å; W738-L780 HydrophobicContact CZ3-CB 4.27Å; W738-L780 HydrophobicContact CZ3-CD2 4.25Å; W738-L780 HydrophobicContact CZ3-CG 4.37Å; L744-L780 HydrophobicContact CD1-CD1 4.34Å; L744-L780 HydrophobicContact CD1-CD2 4.06Å; L744-L780 HydrophobicContact CD1-CG 4.29Å; V754-L780 HydrophobicContact CG1-CD2 3.88Å; V754-L780 HydrophobicContact CG2-CD2 3.84Å; A776-L780 WeakPolarHBondContact O-CB 3.42Å; A776-L780 PolarHBondContact O-N 3.46Å; L777-L780 PolarHBondContact O-N 3.12Å; L780-S783 CarbonylContact O-C 3.58Å; L780-R784 PolarHBondContact O-N 3.42Å; L780-G785 WeakPolarHBondContact CD1-O 3.46Å; L780-G785 PolarHBondContact O-N 3.37Å; L780-I787 HydrophobicContact CD1-CG1 4.17Å; L780-A790 HydrophobicContact CB-CB 4.29Å; L780-A790 HydrophobicContact CD1-CB 4.23Å
781H90.6Very high86.6Confident34 Ų3448.2 Ų48.216%0.15723%0.232CC..Hα-helixtrans-66.3-47168.9-179.5-113.9000112.4L736 V737 W738 Q739 L777 Y779 S783 R784L736-H781 PolarHBondContact O-CE1 3.13Å; L736-H781 VanDerWaalsContact O-CE1 3.26Å; V737-H781 PolarHBondContact O-ND1 2.83Å; W738-H781 HydrophobicContact CE3-CB 4.05Å; W738-H781 HydrophobicContact CZ3-CB 4.5Å; Q739-H781 PolarHBondContact N-CD2 3.4Å; L777-H781 PolarHBondContact O-N 3.11Å; Y779-H781 VanDerWaalsContact C-N 3.28Å; Y779-H781 PolarHBondContact O-N 3.28Å; H781-S783 PolarHBondContact O-N 2.73Å; H781-R784 PolarHBondContact O-N 3.14Å
782E89.2Confident87.9Confident63 Ų6349.3 Ų49.329%0.29424%0.241SC..Hα-helixtrans-63.9-26.1178-168.8178.2150.200113.2H778 Y779 K793 R801H778-E782 WeakPolarHBondContact O-CB 3.12Å; H778-E782 PolarHBondContact O-N 2.9Å; Y779-E782 WeakPolarHBondContact CD1-OE2 3.16Å; Y779-E782 CarbonylContact O-C 3.36Å; Y779-E782 PolarHBondContact O-N 2.85Å; E782-K793 PolarHBondContact O-NZ 3.29Å; E782-R801 IonicContact OE1-NE 3.92Å; E782-R801 IonicContact OE2-CZ 3.95Å; E782-R801 IonicContact OE2-NE 3.86Å; E782-R801 PolarHBondContact OE2-NE 3.44Å; E782-R801 IonicContact OE2-NH2 3.33Å; E782-R801 PolarHBondContact OE2-NH2 3.07Å
783S89.5Confident88.5Confident4 Ų450.6 Ų50.63%0.02825%0.247CC..THydrogen-bonded Turntrans-94.313.9171.9-59.20000113.7Y779 L780 H781 G785 D786 E789 A790 K793Y779-S783 VanDerWaalsContact O-CB 3.32Å; Y779-S783 WeakPolarHBondContact O-CB 2.9Å; Y779-S783 PolarHBondContact O-N 2.87Å; Y779-S783 PolarHBondContact O-OG 3.07Å; Y779-S783 VanDerWaalsContact O-OG 3.09Å; L780-S783 CarbonylContact O-C 3.58Å; H781-S783 PolarHBondContact O-N 2.73Å; S783-G785 PolarHBondContact O-N 2.98Å; S783-D786 WeakPolarHBondContact CB-O 3.11Å; S783-D786 WeakPolarHBondContact O-CB 3.47Å; S783-D786 PolarHBondContact O-N 2.83Å; S783-E789 VanDerWaalsContact CA-OE2 3.29Å; S783-E789 WeakPolarHBondContact CA-OE2 3.29Å; S783-E789 WeakPolarHBondContact CB-OE2 3.49Å; S783-E789 PolarHBondContact OG-OE2 3.29Å; S783-A790 WeakPolarHBondContact OG-CA 3.31Å; S783-A790 PolarHBondContact OG-N 2.6Å; S783-A790 VanDerWaalsContact OG-N 3.16Å; S783-K793 PolarHBondContact OG-NZ 3.47Å
784R87.7Confident88.4Confident197 Ų19746.7 Ų46.774%0.74323%0.229SC*.THydrogen-bonded Turntrans54.827.7176.5-55.3-176.1179.3-160.9-0.2115.9W741 H743 L780 H781W741-R784 HydrophobicContact CH2-CB 3.68Å; W741-R784 HydrophobicContact CH2-CG 4.21Å; W741-R784 HydrophobicContact CZ2-CB 3.97Å; W741-R784 HydrophobicContact CZ3-CB 4.42Å; H743-R784 PolarHBondContact CE1-O 3.15Å; L780-R784 PolarHBondContact O-N 3.42Å; H781-R784 PolarHBondContact O-N 3.14Å
785G86.7Confident88.2Confident3 Ų347.8 Ų47.83%0.03124%0.236CC..THydrogen-bonded Turntrans96.9-4.3-175.600000115.3L780 S783 I787L780-G785 WeakPolarHBondContact CD1-O 3.46Å; L780-G785 PolarHBondContact O-N 3.37Å; S783-G785 PolarHBondContact O-N 2.98Å; G785-I787 PolarHBondContact O-N 3.26Å
786D89.7Confident87.9Confident78 Ų7851.5 Ų51.542%0.41726%0.256SS..  trans-72.8114.5174.1-167.3-49.3000111.6S783 L788 E789 A790S783-D786 WeakPolarHBondContact CB-O 3.11Å; S783-D786 WeakPolarHBondContact O-CB 3.47Å; S783-D786 PolarHBondContact O-N 2.83Å; D786-L788 WeakPolarHBondContact OD1-CA 3.43Å; D786-L788 WeakPolarHBondContact OD1-CB 3.45Å; D786-L788 PolarHBondContact OD1-N 2.99Å; D786-E789 HydrophobicContact CB-CB 4Å; D786-E789 PolarHBondContact OD1-N 3.26Å; D786-A790 WeakPolarHBondContact O-CB 3.38Å; D786-A790 PolarHBondContact O-N 2.98Å
787I90.3Very high86.7Confident27 Ų2760.9 Ų60.914%0.13830%0.296CS..Hα-helixtrans-70.5-34.7-178.1-56.3-179.6000111.4L744 Q753 V754 L757 L780 G785 L791L744-I787 HydrophobicContact CD2-CD1 4.05Å; L744-I787 HydrophobicContact CD2-CG1 4.22Å; Q753-I787 HydrophobicContact CB-CD1 3.6Å; V754-I787 HydrophobicContact CG2-CD1 3.82Å; V754-I787 HydrophobicContact CG2-CG1 4.19Å; L757-I787 HydrophobicContact CB-CG2 4.37Å; L757-I787 HydrophobicContact CD2-CG2 4.05Å; L780-I787 HydrophobicContact CD1-CG1 4.17Å; G785-I787 PolarHBondContact O-N 3.26Å; I787-L791 VanDerWaalsContact O-CB 3.26Å; I787-L791 WeakPolarHBondContact O-CB 3.48Å; I787-L791 PolarHBondContact O-N 3.02Å
788L89.8Confident85.5Confident133 Ų13365.8 Ų65.870%0.69632%0.315SS*.Hα-helixtrans-78.1-42.1-178.3-63.7176.2000111.2D786 L791 S792D786-L788 WeakPolarHBondContact OD1-CA 3.43Å; D786-L788 WeakPolarHBondContact OD1-CB 3.45Å; D786-L788 PolarHBondContact OD1-N 2.99Å; L788-L791 PolarHBondContact O-N 3.29Å; L788-S792 WeakPolarHBondContact O-CB 3.39Å; L788-S792 PolarHBondContact O-N 3.32Å
789E89.4Confident84.3Confident87 Ų8768.4 Ų68.441%0.40733%0.334SS..Hα-helixtrans-65.5-40.9173.7-163.8-157.2169.200110.6S783 D786 S792 K793S783-E789 VanDerWaalsContact CA-OE2 3.29Å; S783-E789 WeakPolarHBondContact CA-OE2 3.29Å; S783-E789 WeakPolarHBondContact CB-OE2 3.49Å; S783-E789 PolarHBondContact OG-OE2 3.29Å; D786-E789 HydrophobicContact CB-CB 4Å; D786-E789 PolarHBondContact OD1-N 3.26Å; E789-S792 WeakPolarHBondContact O-CB 3.44Å; E789-S792 PolarHBondContact O-N 2.9Å; E789-K793 WeakPolarHBondContact O-CG 3.38Å; E789-K793 PolarHBondContact O-N 3.34Å; E789-K793 WeakPolarHBondContact OE1-CE 3.31Å; E789-K793 IonicContact OE1-NZ 2.6Å; E789-K793 PolarHBondContact OE1-NZ 3.29Å; E789-K793 IonicContact OE2-NZ 3.37Å
790A89.6Confident83Confident1 Ų174 Ų741%0.00837%0.369CS..Hα-helixtrans-62.1-41.8173.600000112.7L757 L780 S783 D786 K793 L794L757-A790 HydrophobicContact CD2-CB 4.39Å; L780-A790 HydrophobicContact CB-CB 4.29Å; L780-A790 HydrophobicContact CD1-CB 4.23Å; S783-A790 WeakPolarHBondContact OG-CA 3.31Å; S783-A790 PolarHBondContact OG-N 2.6Å; S783-A790 VanDerWaalsContact OG-N 3.16Å; D786-A790 WeakPolarHBondContact O-CB 3.38Å; D786-A790 PolarHBondContact O-N 2.98Å; A790-K793 PolarHBondContact O-N 2.93Å; A790-L794 WeakPolarHBondContact O-CB 3.29Å; A790-L794 PolarHBondContact O-N 3.35Å
791L88.1Confident82.2Confident64 Ų6475.3 Ų75.334%0.33537%0.374SS..Hα-helixtrans-63.8-41.1174.4-176151.1000111.6L757 I787 L788 L794 L795L757-L791 HydrophobicContact CD1-CB 4.05Å; L757-L791 HydrophobicContact CD1-CD1 4.2Å; L757-L791 HydrophobicContact CD1-CG 4.38Å; I787-L791 VanDerWaalsContact O-CB 3.26Å; I787-L791 WeakPolarHBondContact O-CB 3.48Å; I787-L791 PolarHBondContact O-N 3.02Å; L788-L791 PolarHBondContact O-N 3.29Å; L791-L794 PolarHBondContact O-N 2.9Å; L791-L795 HydrophobicContact CD2-CD1 3.66Å; L791-L795 HydrophobicContact CD2-CG 4.15Å; L791-L795 PolarHBondContact O-N 3.18Å
792S87.6Confident81.3Confident69 Ų6977.7 Ų77.748%0.48339%0.392SS..Hα-helixtrans-59-50.8174.6-174.10000111.5L788 E789 L794 L795 L796L788-S792 WeakPolarHBondContact O-CB 3.39Å; L788-S792 PolarHBondContact O-N 3.32Å; E789-S792 WeakPolarHBondContact O-CB 3.44Å; E789-S792 PolarHBondContact O-N 2.9Å; S792-L794 PolarHBondContact O-N 3.36Å; S792-L795 PolarHBondContact O-N 3.47Å; S792-L795 VanDerWaalsContact O-N 3.15Å; S792-L796 PolarHBondContact O-N 2.99Å
793K84.8Confident80.4Confident33 Ų3383.5 Ų83.514%0.14342%0.419CS..Hα-helixtrans-58.8-32.8174.9-70.8172.9-174.1159.10112.9Y779 E782 S783 E789 A790Y779-K793 HydrophobicContact CD1-CB 3.75Å; Y779-K793 HydrophobicContact CD1-CD 3.93Å; Y779-K793 HydrophobicContact CD1-CG 4.39Å; Y779-K793 HydrophobicContact CD2-CB 4.05Å; Y779-K793 HydrophobicContact CE1-CB 3.78Å; Y779-K793 HydrophobicContact CE1-CD 4.32Å; Y779-K793 HydrophobicContact CE1-CG 4.45Å; Y779-K793 HydrophobicContact CE2-CB 4.04Å; Y779-K793 VanDerWaalsContact CE2-O 3.28Å; Y779-K793 WeakPolarHBondContact CE2-O 3.44Å; Y779-K793 HydrophobicContact CG-CB 3.89Å; Y779-K793 PolarHBondContact OH-O 3.41Å; E782-K793 PolarHBondContact O-NZ 3.29Å; S783-K793 PolarHBondContact OG-NZ 3.47Å; E789-K793 WeakPolarHBondContact O-CG 3.38Å; E789-K793 PolarHBondContact O-N 3.34Å; E789-K793 WeakPolarHBondContact OE1-CE 3.31Å; E789-K793 IonicContact OE1-NZ 2.6Å; E789-K793 PolarHBondContact OE1-NZ 3.29Å; E789-K793 IonicContact OE2-NZ 3.37Å; A790-K793 PolarHBondContact O-N 2.93Å
794L84.2Confident79.7Confident8 Ų891 Ų914%0.04246%0.459CS..Hα-helixtrans-77.9-28.1178.3-165.762.4000113.3A761 F766 L775 A776 Y779 A790 L791 S792 L796A761-L794 HydrophobicContact CB-CD2 3.97Å; F766-L794 HydrophobicContact CD1-CB 4.22Å; F766-L794 HydrophobicContact CD1-CD2 4.2Å; F766-L794 HydrophobicContact CD1-CG 3.64Å; F766-L794 WeakPolarHBondContact CD1-O 3.26Å; F766-L794 HydrophobicContact CD2-CD2 3.93Å; F766-L794 HydrophobicContact CD2-CG 4.19Å; F766-L794 HydrophobicContact CE1-CB 3.78Å; F766-L794 HydrophobicContact CE1-CD2 3.85Å; F766-L794 HydrophobicContact CE1-CG 3.55Å; F766-L794 HydrophobicContact CE2-CD2 3.58Å; F766-L794 HydrophobicContact CE2-CG 4.12Å; F766-L794 HydrophobicContact CG-CD2 4.23Å; F766-L794 HydrophobicContact CG-CG 3.95Å; F766-L794 HydrophobicContact CZ-CB 4.2Å; F766-L794 HydrophobicContact CZ-CD2 3.54Å; F766-L794 HydrophobicContact CZ-CG 3.81Å; L775-L794 HydrophobicContact CD2-CD1 3.7Å; L775-L794 HydrophobicContact CG-CD1 3.82Å; A776-L794 HydrophobicContact CB-CD2 4.03Å; Y779-L794 HydrophobicContact CD2-CB 4.12Å; Y779-L794 HydrophobicContact CD2-CD1 3.99Å; Y779-L794 HydrophobicContact CE2-CB 4.35Å; Y779-L794 HydrophobicContact CE2-CD1 4.1Å; A790-L794 WeakPolarHBondContact O-CB 3.29Å; A790-L794 PolarHBondContact O-N 3.35Å; L791-L794 PolarHBondContact O-N 2.9Å; S792-L794 PolarHBondContact O-N 3.36Å; L794-L796 VanDerWaalsContact C-N 3.31Å
795L83.5Confident79.4Confident91 Ų9184 Ų8448%0.47643%0.434SS..Hα-helixtrans-74.5-15.2172.4-75177.2000113.7F766 L791 S792 K797F766-L795 HydrophobicContact CD1-CD2 3.97Å; F766-L795 HydrophobicContact CE1-CB 4.48Å; F766-L795 HydrophobicContact CE1-CD2 3.51Å; F766-L795 HydrophobicContact CE1-CG 3.79Å; F766-L795 HydrophobicContact CZ-CD2 4.41Å; L791-L795 HydrophobicContact CD2-CD1 3.66Å; L791-L795 HydrophobicContact CD2-CG 4.15Å; L791-L795 PolarHBondContact O-N 3.18Å; S792-L795 PolarHBondContact O-N 3.47Å; S792-L795 VanDerWaalsContact O-N 3.15Å; L795-K797 PolarHBondContact O-N 3.39Å
796L79.9Confident79.2Confident96 Ų9686.8 Ų86.850%0.50345%0.452SS..SBendtrans-63.1127.1180-64.8178.8000111.5S792 L794 K798S792-L796 PolarHBondContact O-N 2.99Å; L794-L796 VanDerWaalsContact C-N 3.31Å; L796-K798 PolarHBondContact O-N 3.1Å
797K63.4Low78.8Confident200 Ų20083.8 Ų83.887%0.8744%0.436SS*.SBendtrans-57-16.7-178.4-68.6179.2-176.2177.20114.6L795L795-K797 PolarHBondContact O-N 3.39Å
798K63.4Low78.3Confident161 Ų16184.6 Ų84.670%0.745%0.447SS*.SBendtrans-142.1131.8169.3-66.8-176.9-179.4177.70108.9L796 V800L796-K798 PolarHBondContact O-N 3.1Å; K798-V800 VanDerWaalsContact C-N 3.31Å; K798-V800 HydrophobicContact CB-CG2 3.85Å; K798-V800 PolarHBondContact O-N 3.02Å
799P64.6Low77.9Confident79 Ų7984.8 Ų84.851%0.51345%0.454SS..  trans-74.983.1168.831.8-34.5000109.7Y779 R801Y779-P799 WeakPolarHBondContact OH-CA 3.25Å; Y779-P799 WeakPolarHBondContact OH-CB 3.2Å; P799-R801 VanDerWaalsContact C-N 3.29Å; P799-R801 PolarHBondContact O-N 2.97Å
800V60.2Low77.6Confident126 Ų12685.2 Ų85.276%0.76445%0.452SS*.  trans-8176.7-179.1-171.30000110K798K798-V800 VanDerWaalsContact C-N 3.31Å; K798-V800 HydrophobicContact CB-CG2 3.85Å; K798-V800 PolarHBondContact O-N 3.02Å
801R73.8Confident77.3Confident28 Ų2889.4 Ų89.411%0.10647%0.471CS..  trans-76.9139.7165.6-66.8-156173.196.8-0.7110.1Y779 E782 P799 H805 Y812Y779-R801 VanDerWaalsContact CE1-NH2 3.32Å; E782-R801 IonicContact OE1-NE 3.92Å; E782-R801 IonicContact OE2-CZ 3.95Å; E782-R801 IonicContact OE2-NE 3.86Å; E782-R801 PolarHBondContact OE2-NE 3.44Å; E782-R801 IonicContact OE2-NH2 3.33Å; E782-R801 PolarHBondContact OE2-NH2 3.07Å; P799-R801 VanDerWaalsContact C-N 3.29Å; P799-R801 PolarHBondContact O-N 2.97Å; R801-H805 HydrophobicContact CB-CB 4.3Å; R801-H805 WeakPolarHBondContact CD-ND1 3.43Å; R801-Y812 PolarHBondContact NH1-OH 3.29Å
802P72.5Confident77.1Confident83 Ų8387.5 Ų87.554%0.53946%0.46SS..  trans-66.3153.1174.328.6-33.6000110.2N804 H805P802-N804 PolarHBondContact O-N 2.98Å; P802-H805 HydrophobicContact CG-CB 4.22Å; P802-H805 VanDerWaalsContact O-CB 3.29Å; P802-H805 WeakPolarHBondContact O-CB 3.38Å; P802-H805 PolarHBondContact O-N 3.25Å
803H70.1Confident76.7Confident185 Ų18586.7 Ų86.786%0.85645%0.452SS*.THydrogen-bonded Turntrans-62.1-20.8-175.6-73.261.7000113.3H805H803-H805 VanDerWaalsContact C-N 3.31Å
804N75.1Confident76.3Confident161 Ų16186.4 Ų86.486%0.86146%0.459SS*.THydrogen-bonded Turntrans-84.60.7178.7-57.30.5000113.3P802P802-N804 PolarHBondContact O-N 2.98Å
805H81.4Confident75.9Confident50 Ų5088 Ų8823%0.23147%0.471CS..SBendtrans-82.1136.1-178.8-171.8-85.9000111.2R801 P802 H803 L807 A808R801-H805 HydrophobicContact CB-CB 4.3Å; R801-H805 WeakPolarHBondContact CD-ND1 3.43Å; P802-H805 HydrophobicContact CG-CB 4.22Å; P802-H805 VanDerWaalsContact O-CB 3.29Å; P802-H805 WeakPolarHBondContact O-CB 3.38Å; P802-H805 PolarHBondContact O-N 3.25Å; H803-H805 VanDerWaalsContact C-N 3.31Å; H805-L807 VanDerWaalsContact C-N 3.25Å; H805-L807 PolarHBondContact ND1-N 3.43Å; H805-L807 VanDerWaalsContact ND1-N 3.12Å; H805-L807 PolarHBondContact O-N 3.34Å; H805-L807 VanDerWaalsContact O-N 3.11Å; H805-A808 HydrophobicContact CB-CB 4.3Å; H805-A808 WeakPolarHBondContact O-CB 3.35Å; H805-A808 PolarHBondContact O-N 3.39Å
806P81Confident75.7Confident63 Ų6384.8 Ų84.841%0.40945%0.454SS..G310 helixtrans-52.3-39.4-178.6-31.937.2000115D735 A808D735-P806 HydrophobicContact CB-CB 3.54Å; D735-P806 HydrophobicContact CB-CG 3.89Å; P806-A808 VanDerWaalsContact C-N 3.35Å
807L83.1Confident75.7Confident15 Ų1586.6 Ų86.68%0.07946%0.46CS..G310 helixtrans-87.610.4177.9-64166000114.4V737 H778 H805 T809 Y810V737-L807 HydrophobicContact CB-CD1 4.37Å; V737-L807 HydrophobicContact CG1-CD1 4.18Å; V737-L807 HydrophobicContact CG1-CD2 3.82Å; V737-L807 HydrophobicContact CG1-CG 4.04Å; H778-L807 HydrophobicContact CB-CD1 3.84Å; H778-L807 VanDerWaalsContact ND1-CD1 3.34Å; H778-L807 WeakPolarHBondContact ND1-CD1 3.49Å; H805-L807 VanDerWaalsContact C-N 3.25Å; H805-L807 PolarHBondContact ND1-N 3.43Å; H805-L807 VanDerWaalsContact ND1-N 3.12Å; H805-L807 PolarHBondContact O-N 3.34Å; H805-L807 VanDerWaalsContact O-N 3.11Å; L807-T809 VanDerWaalsContact C-N 3.29Å; L807-T809 PolarHBondContact O-N 2.6Å; L807-Y810 HydrophobicContact CD2-CD2 3.8Å; L807-Y810 HydrophobicContact CD2-CG 3.77Å; L807-Y810 WeakPolarHBondContact O-CB 3.43Å; L807-Y810 PolarHBondContact O-N 3.3Å
808A79.3Confident76.9Confident44 Ų4478.5 Ų78.536%0.36442%0.423SS..G310 helixtrans-64.1-33.5179.800000112.7H805 P806H805-A808 HydrophobicContact CB-CB 4.3Å; H805-A808 WeakPolarHBondContact O-CB 3.35Å; H805-A808 PolarHBondContact O-N 3.39Å; P806-A808 VanDerWaalsContact C-N 3.35Å
809T80.8Confident78.1Confident137 Ų13777.3 Ų77.384%0.8442%0.418SS*.G310 helixtrans-95.89.1175.958.30000113.4L807 H811L807-T809 VanDerWaalsContact C-N 3.29Å; L807-T809 PolarHBondContact O-N 2.6Å; T809-H811 PolarHBondContact O-N 2.82Å
810Y84.1Confident79.3Confident95 Ų9577.5 Ų77.537%0.37342%0.418SS..  trans-79.3116.3-176.3-173.5-90.3000111.5H778 L807 Y812H778-Y810 AromaticContact CE1-CE1 3.99Å; L807-Y810 HydrophobicContact CD2-CD2 3.8Å; L807-Y810 HydrophobicContact CD2-CG 3.77Å; L807-Y810 WeakPolarHBondContact O-CB 3.43Å; L807-Y810 PolarHBondContact O-N 3.3Å; Y810-Y812 AromaticContact CD1-CD1 3.77Å; Y810-Y812 HydrophobicContact CD1-CD1 3.77Å; Y810-Y812 AromaticContact CD1-CD2 3.89Å; Y810-Y812 HydrophobicContact CD1-CD2 3.89Å; Y810-Y812 AromaticContact CD1-CE1 3.75Å; Y810-Y812 HydrophobicContact CD1-CE1 3.75Å; Y810-Y812 AromaticContact CD1-CE2 3.88Å; Y810-Y812 HydrophobicContact CD1-CE2 3.88Å; Y810-Y812 AromaticContact CD1-CG 3.86Å; Y810-Y812 HydrophobicContact CD1-CG 3.86Å; Y810-Y812 AromaticContact CD1-CZ 3.84Å; Y810-Y812 AromaticContact CE1-CD1 3.59Å; Y810-Y812 HydrophobicContact CE1-CD1 3.59Å; Y810-Y812 HydrophobicContact CE1-CD2 4.5Å; Y810-Y812 AromaticContact CE1-CE1 3.76Å; Y810-Y812 HydrophobicContact CE1-CE1 3.76Å; Y810-Y812 HydrophobicContact CE1-CG 4.01Å; Y810-Y812 PolarHBondContact O-N 3.3Å
811H83.1Confident80.8Confident89 Ų8974.6 Ų74.641%0.41241%0.407SS..  trans-80.6102.7174.3179.376.5000110.7T809 D816 E854T809-H811 PolarHBondContact O-N 2.82Å; H811-D816 IonicContact CE1-OD1 3.6Å; H811-E854 IonicContact CD2-OE2 2.69Å; H811-E854 IonicContact CE1-OE2 2.66Å; H811-E854 IonicContact NE2-OE2 2.67Å; H811-E854 PolarHBondContact NE2-OE2 3.35Å
812Y82.6Confident81.8Confident24 Ų2473.9 Ų73.99%0.09441%0.405CS..  trans-68.5131.6172.6-70.6-80.6000111.1E774 L775 H778 R801 Y810 S815E774-Y812 HydrophobicContact CB-CD1 3.96Å; E774-Y812 HydrophobicContact CB-CE1 4.2Å; L775-Y812 HydrophobicContact CB-CD1 3.87Å; L775-Y812 HydrophobicContact CB-CE1 3.74Å; L775-Y812 HydrophobicContact CB-CG 4.4Å; L775-Y812 HydrophobicContact CD1-CD2 4.38Å; L775-Y812 HydrophobicContact CD1-CE1 4.05Å; L775-Y812 HydrophobicContact CD1-CE2 3.75Å; H778-Y812 WeakPolarHBondContact CB-OH 3.5Å; H778-Y812 AromaticContact ND1-CE1 3.36Å; H778-Y812 WeakPolarHBondContact ND1-CE1 3.36Å; H778-Y812 AromaticContact ND1-CZ 3.48Å; H778-Y812 PolarHBondContact ND1-OH 3.42Å; R801-Y812 PolarHBondContact NH1-OH 3.29Å; Y810-Y812 AromaticContact CD1-CD1 3.77Å; Y810-Y812 HydrophobicContact CD1-CD1 3.77Å; Y810-Y812 AromaticContact CD1-CD2 3.89Å; Y810-Y812 HydrophobicContact CD1-CD2 3.89Å; Y810-Y812 AromaticContact CD1-CE1 3.75Å; Y810-Y812 HydrophobicContact CD1-CE1 3.75Å; Y810-Y812 AromaticContact CD1-CE2 3.88Å; Y810-Y812 HydrophobicContact CD1-CE2 3.88Å; Y810-Y812 AromaticContact CD1-CG 3.86Å; Y810-Y812 HydrophobicContact CD1-CG 3.86Å; Y810-Y812 AromaticContact CD1-CZ 3.84Å; Y810-Y812 AromaticContact CE1-CD1 3.59Å; Y810-Y812 HydrophobicContact CE1-CD1 3.59Å; Y810-Y812 HydrophobicContact CE1-CD2 4.5Å; Y810-Y812 AromaticContact CE1-CE1 3.76Å; Y810-Y812 HydrophobicContact CE1-CE1 3.76Å; Y810-Y812 HydrophobicContact CE1-CG 4.01Å; Y810-Y812 PolarHBondContact O-N 3.3Å; Y812-S815 VanDerWaalsContact O-CB 3.31Å; Y812-S815 WeakPolarHBondContact O-CB 3.26Å; Y812-S815 PolarHBondContact O-N 3.31Å; Y812-S815 PolarHBondContact O-OG 3.41Å
813T79.9Confident82.6Confident52 Ų5274.2 Ų74.232%0.31940%0.396SS..THydrogen-bonded Turntrans-59.9141.3179.760.60000111.2T771 E774 S815 E854T771-T813 VanDerWaalsContact CB-O 3.25Å; T771-T813 WeakPolarHBondContact CB-O 3.37Å; T771-T813 PolarHBondContact OG1-O 3.39Å; E774-T813 PolarHBondContact OE2-OG1 3.2Å; E774-T813 VanDerWaalsContact OE2-OG1 3.14Å; T813-S815 PolarHBondContact O-N 3.26Å; T813-E854 VanDerWaalsContact CA-OE1 3.29Å; T813-E854 WeakPolarHBondContact CA-OE1 3.48Å
814G76Confident83.6Confident27 Ų2772.4 Ų72.428%0.27839%0.385SS..THydrogen-bonded Turntrans651.8-179.500000116.8T771 D816 E854T771-G814 VanDerWaalsContact OG1-CA 3.26Å; T771-G814 WeakPolarHBondContact OG1-CA 3.43Å; G814-D816 PolarHBondContact O-N 3.01Å; G814-D816 VanDerWaalsContact O-N 3.17Å; G814-E854 PolarHBondContact N-OE1 3.42Å
815S75.3Confident84.5Confident43 Ų4367.5 Ų67.530%0.30136%0.359SS..  trans-62.2-18.4171.763.60000113.3Y812 T813 H817Y812-S815 VanDerWaalsContact O-CB 3.31Å; Y812-S815 WeakPolarHBondContact O-CB 3.26Å; Y812-S815 PolarHBondContact O-N 3.31Å; Y812-S815 PolarHBondContact O-OG 3.41Å; T813-S815 PolarHBondContact O-N 3.26Å; S815-H817 PolarHBondContact O-CE1 2.89Å; S815-H817 PolarHBondContact O-N 2.96Å; S815-H817 PolarHBondContact O-ND1 2.69Å
816D79.8Confident85Confident22 Ų2265.1 Ų65.112%0.11835%0.348CS..  trans-59115.8173.8-89.1-21.2000113.2H811 G814 W818 Q851H811-D816 IonicContact CE1-OD1 3.6Å; G814-D816 PolarHBondContact O-N 3.01Å; G814-D816 VanDerWaalsContact O-N 3.17Å; D816-W818 VanDerWaalsContact O-CD1 3.31Å; D816-W818 PolarHBondContact O-N 2.76Å; D816-Q851 PolarHBondContact OD1-NE2 3.48Å; D816-Q851 WeakPolarHBondContact OD2-CB 3.31Å; D816-Q851 WeakPolarHBondContact OD2-CG 3.41Å
817H81.1Confident85.5Confident135 Ų13564.2 Ų64.263%0.62534%0.339SS*.  trans-77.9116.5172.2-67.348.8000109.9S815 K847S815-H817 PolarHBondContact O-CE1 2.89Å; S815-H817 PolarHBondContact O-N 2.96Å; S815-H817 PolarHBondContact O-ND1 2.69Å; H817-K847 WeakPolarHBondContact O-CE 3.3Å; H817-K847 PolarHBondContact O-NZ 2.95Å
818W86.8Confident85.9Confident29 Ų2968.5 Ų68.511%0.1136%0.359CS..  trans-108.7107.3-177.4-83.186.4000112.3D816 E822 R823 F826 I844 K847 Q851 F855D816-W818 VanDerWaalsContact O-CD1 3.31Å; D816-W818 PolarHBondContact O-N 2.76Å; W818-E822 HydrophobicContact CE3-CB 4.03Å; W818-E822 HydrophobicContact CZ3-CB 4.32Å; W818-R823 HydrophobicContact CB-CG 4.09Å; W818-R823 HydrophobicContact CE3-CG 4.27Å; W818-R823 PolarHBondContact O-NE 3.18Å; W818-R823 PolarHBondContact O-NH2 3.11Å; W818-F826 HydrophobicContact CH2-CD2 4.2Å; W818-F826 HydrophobicContact CZ3-CB 4.14Å; W818-F826 HydrophobicContact CZ3-CD2 4.36Å; W818-F826 HydrophobicContact CZ3-CG 4.44Å; W818-I844 HydrophobicContact CH2-CD1 4.27Å; W818-I844 HydrophobicContact CZ3-CD1 4.22Å; W818-K847 HydrophobicContact CH2-CB 4.34Å; W818-K847 HydrophobicContact CH2-CG 3.83Å; W818-K847 HydrophobicContact CZ2-CD 4.16Å; W818-K847 HydrophobicContact CZ2-CG 3.95Å; W818-K847 HydrophobicContact CZ3-CG 4.21Å; W818-Q851 HydrophobicContact CZ2-CB 4.5Å; W818-F855 HydrophobicContact CB-CE2 4.36Å; W818-F855 AromaticContact CD1-CD2 3.75Å; W818-F855 HydrophobicContact CD2-CB 4.37Å; W818-F855 HydrophobicContact CD2-CD1 4.41Å; W818-F855 AromaticContact CD2-CD2 3.69Å; W818-F855 HydrophobicContact CD2-CD2 3.69Å; W818-F855 HydrophobicContact CD2-CE2 4.09Å; W818-F855 AromaticContact CD2-CG 3.89Å; W818-F855 HydrophobicContact CD2-CG 3.89Å; W818-F855 AromaticContact CE2-CD2 3.67Å; W818-F855 AromaticContact CE2-CG 3.61Å; W818-F855 HydrophobicContact CE3-CD1 4.29Å; W818-F855 HydrophobicContact CE3-CD2 4.3Å; W818-F855 HydrophobicContact CE3-CE1 4.48Å; W818-F855 HydrophobicContact CE3-CE2 4.48Å; W818-F855 HydrophobicContact CE3-CG 4.22Å; W818-F855 AromaticContact CG-CD2 3.79Å; W818-F855 HydrophobicContact CG-CD2 3.79Å; W818-F855 HydrophobicContact CG-CE2 4Å; W818-F855 HydrophobicContact CG-CG 4.47Å; W818-F855 HydrophobicContact CH2-CB 3.98Å; W818-F855 HydrophobicContact CH2-CD1 4.17Å; W818-F855 HydrophobicContact CH2-CG 4.07Å; W818-F855 HydrophobicContact CZ2-CB 3.37Å; W818-F855 HydrophobicContact CZ2-CD1 4.31Å; W818-F855 HydrophobicContact CZ2-CD2 4.29Å; W818-F855 AromaticContact CZ2-CG 3.74Å; W818-F855 HydrophobicContact CZ2-CG 3.74Å; W818-F855 HydrophobicContact CZ3-CD1 4.16Å; W818-F855 HydrophobicContact CZ3-CG 4.3Å; W818-F855 AromaticContact NE1-CD2 3.7Å
819K90.4Very high86.5Confident137 Ų13766.4 Ų66.460%0.59634%0.342SS*.  trans-66.3151178.5-58.6173.2-171160.40110.9A821 E822 R823K819-A821 PolarHBondContact O-N 2.9Å; K819-E822 HydrophobicContact CB-CB 4.33Å; K819-E822 HydrophobicContact CB-CG 3.97Å; K819-E822 WeakPolarHBondContact CB-OE2 3.44Å; K819-E822 HydrophobicContact CD-CG 4.44Å; K819-E822 WeakPolarHBondContact CD-OE1 3.36Å; K819-E822 HydrophobicContact CG-CG 4.5Å; K819-E822 WeakPolarHBondContact CG-OE2 3.4Å; K819-E822 PolarHBondContact N-OE2 3.45Å; K819-E822 IonicContact NZ-OE1 3.51Å; K819-E822 PolarHBondContact O-N 3.38Å; K819-E822 VanDerWaalsContact O-N 3.08Å; K819-R823 PolarHBondContact O-N 3.21Å
820T89.1Confident87.1Confident83 Ų8360.5 Ų60.551%0.50931%0.305SS..Hα-helixtrans-61.7-29.6178.9-48.80000112.5K824T820-K824 WeakPolarHBondContact O-CG 3.33Å; T820-K824 PolarHBondContact O-N 3.39Å; T820-K824 VanDerWaalsContact O-N 3.13Å
821A92.3Very high87.4Confident64 Ų6459.5 Ų59.553%0.52932%0.316SS..Hα-helixtrans-68.1-46.7171.300000112.5K819 R823 K824 L825K819-A821 PolarHBondContact O-N 2.9Å; A821-R823 VanDerWaalsContact C-N 3.31Å; A821-R823 PolarHBondContact O-N 2.8Å; A821-K824 WeakPolarHBondContact O-CB 3.34Å; A821-K824 PolarHBondContact O-N 3.5Å; A821-K824 VanDerWaalsContact O-N 3.13Å; A821-L825 WeakPolarHBondContact O-CG 3.28Å; A821-L825 PolarHBondContact O-N 3.41Å
822E93.3Very high87.9Confident13 Ų1359.8 Ų59.86%0.06132%0.32CS..Hα-helixtrans-61.3-39.5177.3-64.4165.7166.700111.3W818 K819 L825 F826 I844 T846W818-E822 HydrophobicContact CE3-CB 4.03Å; W818-E822 HydrophobicContact CZ3-CB 4.32Å; K819-E822 HydrophobicContact CB-CB 4.33Å; K819-E822 HydrophobicContact CB-CG 3.97Å; K819-E822 WeakPolarHBondContact CB-OE2 3.44Å; K819-E822 HydrophobicContact CD-CG 4.44Å; K819-E822 WeakPolarHBondContact CD-OE1 3.36Å; K819-E822 HydrophobicContact CG-CG 4.5Å; K819-E822 WeakPolarHBondContact CG-OE2 3.4Å; K819-E822 PolarHBondContact N-OE2 3.45Å; K819-E822 IonicContact NZ-OE1 3.51Å; K819-E822 PolarHBondContact O-N 3.38Å; K819-E822 VanDerWaalsContact O-N 3.08Å; E822-L825 PolarHBondContact O-N 3.12Å; E822-F826 WeakPolarHBondContact O-CB 3.22Å; E822-F826 PolarHBondContact O-N 3.08Å; E822-I844 HydrophobicContact CB-CG2 4.26Å; E822-I844 HydrophobicContact CG-CG2 4.29Å; E822-T846 VanDerWaalsContact CD-OG1 3.28Å; E822-T846 WeakPolarHBondContact OE1-CB 3.42Å; E822-T846 PolarHBondContact OE1-OG1 2.88Å
823R90.6Very high88.4Confident91 Ų9163.1 Ų63.134%0.34333%0.333SS..Hα-helixtrans-62.6-42.5172.6-71.3-176.8-101.6154.8-8.1112.4W818 K819 A821 F826 N827 F855W818-R823 HydrophobicContact CB-CG 4.09Å; W818-R823 HydrophobicContact CE3-CG 4.27Å; W818-R823 PolarHBondContact O-NE 3.18Å; W818-R823 PolarHBondContact O-NH2 3.11Å; K819-R823 PolarHBondContact O-N 3.21Å; A821-R823 VanDerWaalsContact C-N 3.31Å; A821-R823 PolarHBondContact O-N 2.8Å; R823-F826 PolarHBondContact O-N 3.32Å; R823-N827 PolarHBondContact O-N 3.41Å; R823-N827 PolarHBondContact O-OD1 2.99Å; R823-N827 VanDerWaalsContact O-OD1 3.06Å; R823-F855 HydrophobicContact CG-CE1 4.44Å; R823-F855 HydrophobicContact CG-CE2 4.32Å; R823-F855 HydrophobicContact CG-CZ 3.78Å
824K90.6Very high88.8Confident146 Ų14668 Ų6864%0.63535%0.35SS*.Hα-helixtrans-62.7-45.3174.7-74.5170.3179.8178.30111.8T820 A821 N827 Q828T820-K824 WeakPolarHBondContact O-CG 3.33Å; T820-K824 PolarHBondContact O-N 3.39Å; T820-K824 VanDerWaalsContact O-N 3.13Å; A821-K824 WeakPolarHBondContact O-CB 3.34Å; A821-K824 PolarHBondContact O-N 3.5Å; A821-K824 VanDerWaalsContact O-N 3.13Å; K824-N827 PolarHBondContact O-N 2.95Å; K824-Q828 PolarHBondContact O-N 3.31Å
825L93Very high89.6Confident59 Ų5972.9 Ų72.931%0.30936%0.363SS..Hα-helixtrans-64.2-40176.2-69.8172.8000112.2A821 E822 N827 Q828 G829 L843 I844A821-L825 WeakPolarHBondContact O-CG 3.28Å; A821-L825 PolarHBondContact O-N 3.41Å; E822-L825 PolarHBondContact O-N 3.12Å; L825-N827 PolarHBondContact O-N 2.92Å; L825-Q828 PolarHBondContact O-N 3.45Å; L825-G829 PolarHBondContact O-N 3.09Å; L825-L843 HydrophobicContact CB-CG 4.48Å; L825-L843 HydrophobicContact CD2-CD1 4.33Å; L825-L843 HydrophobicContact CD2-CG 4.33Å; L825-L843 WeakPolarHBondContact O-CD2 3.44Å; L825-I844 HydrophobicContact CB-CG1 4.11Å
826F92.9Very high90.5Very high0 Ų074.1 Ų74.10%037%0.366CS..Hα-helixtrans-59.6-45.6172.7179-91.4000111.6W818 E822 R823 Q828 G829 I830 V840 I844 C852 F855 Y856 F873W818-F826 HydrophobicContact CH2-CD2 4.2Å; W818-F826 HydrophobicContact CZ3-CB 4.14Å; W818-F826 HydrophobicContact CZ3-CD2 4.36Å; W818-F826 HydrophobicContact CZ3-CG 4.44Å; E822-F826 WeakPolarHBondContact O-CB 3.22Å; E822-F826 PolarHBondContact O-N 3.08Å; R823-F826 PolarHBondContact O-N 3.32Å; F826-Q828 PolarHBondContact O-N 2.97Å; F826-G829 PolarHBondContact O-N 2.8Å; F826-I830 HydrophobicContact CD1-CG1 4.04Å; F826-I830 HydrophobicContact CD2-CG1 4.35Å; F826-I830 HydrophobicContact CE1-CD1 4.42Å; F826-I830 HydrophobicContact CE1-CG1 3.64Å; F826-I830 HydrophobicContact CE2-CD1 4.16Å; F826-I830 HydrophobicContact CE2-CG1 3.97Å; F826-I830 HydrophobicContact CG-CG1 4.38Å; F826-I830 HydrophobicContact CZ-CD1 3.91Å; F826-I830 HydrophobicContact CZ-CG1 3.6Å; F826-I830 WeakPolarHBondContact O-CB 3.25Å; F826-I830 VanDerWaalsContact O-CG1 3.31Å; F826-I830 WeakPolarHBondContact O-CG1 3.43Å; F826-I830 PolarHBondContact O-N 3.23Å; F826-V840 HydrophobicContact CD2-CG1 3.74Å; F826-V840 HydrophobicContact CE2-CG1 4.1Å; F826-I844 HydrophobicContact CB-CD1 3.78Å; F826-I844 HydrophobicContact CD2-CD1 3.84Å; F826-I844 HydrophobicContact CG-CD1 4.31Å; F826-C852 HydrophobicContact CE2-CB 4.45Å; F826-C852 WeakPolarHBondContact CE2-O 3.49Å; F826-F855 AromaticContact CD1-CD1 3.63Å; F826-F855 HydrophobicContact CD1-CD1 3.63Å; F826-F855 AromaticContact CD1-CE1 3.53Å; F826-F855 HydrophobicContact CD1-CE1 3.53Å; F826-F855 HydrophobicContact CD2-CD1 4.03Å; F826-F855 AromaticContact CE1-CD1 3.58Å; F826-F855 HydrophobicContact CE1-CD1 3.58Å; F826-F855 AromaticContact CE1-CE1 3.76Å; F826-F855 HydrophobicContact CE1-CE1 3.76Å; F826-F855 AromaticContact CE2-CD1 3.99Å; F826-F855 HydrophobicContact CE2-CD1 3.99Å; F826-F855 AromaticContact CG-CD1 3.86Å; F826-F855 HydrophobicContact CG-CD1 3.86Å; F826-F855 HydrophobicContact CG-CE1 4.01Å; F826-F855 AromaticContact CZ-CD1 3.76Å; F826-F855 HydrophobicContact CZ-CD1 3.76Å; F826-F855 HydrophobicContact CZ-CE1 4.41Å; F826-Y856 HydrophobicContact CZ-CD2 4.34Å; F826-F873 HydrophobicContact CE1-CD1 4.48Å
827N90.5Very high91.2Very high44 Ų4474.6 Ų74.624%0.23537%0.368CS..Hα-helixtrans-63.5-42.5179.6-65.50.1000111.7R823 K824 L825 A831 F873R823-N827 PolarHBondContact O-N 3.41Å; R823-N827 PolarHBondContact O-OD1 2.99Å; R823-N827 VanDerWaalsContact O-OD1 3.06Å; K824-N827 PolarHBondContact O-N 2.95Å; L825-N827 PolarHBondContact O-N 2.92Å; N827-A831 WeakPolarHBondContact O-CB 3.31Å; N827-A831 PolarHBondContact O-N 2.85Å; N827-F873 PolarHBondContact ND2-O 3.22Å; N827-F873 WeakPolarHBondContact OD1-CB 3.5Å; N827-F873 PolarHBondContact OD1-O 2.98Å; N827-F873 VanDerWaalsContact OD1-O 3.04Å
828Q91.7Very high91.8Very high104 Ų10475.2 Ų75.249%0.48637%0.369SS..Hα-helixtrans-63.3-44.7173.5-176.1176.62.400111.7K824 L825 F826 A831 I832 L843K824-Q828 PolarHBondContact O-N 3.31Å; L825-Q828 PolarHBondContact O-N 3.45Å; F826-Q828 PolarHBondContact O-N 2.97Å; Q828-A831 PolarHBondContact O-N 3.43Å; Q828-I832 HydrophobicContact CG-CD1 3.84Å; Q828-I832 VanDerWaalsContact O-CG1 3.32Å; Q828-I832 WeakPolarHBondContact O-CG1 3.39Å; Q828-I832 PolarHBondContact O-N 3.4Å; Q828-L843 HydrophobicContact CB-CD2 4.47Å; Q828-L843 HydrophobicContact CG-CD2 4.47Å
829G93.6Very high92.2Very high0 Ų077.2 Ų77.20%038%0.381CS..Hα-helixtrans-62.9-41.9177.200000112.9L825 F826 Y833L825-G829 PolarHBondContact O-N 3.09Å; F826-G829 PolarHBondContact O-N 2.8Å; G829-Y833 WeakPolarHBondContact O-CA 3.32Å; G829-Y833 WeakPolarHBondContact O-CB 3.32Å; G829-Y833 WeakPolarHBondContact O-CD2 3.34Å; G829-Y833 PolarHBondContact O-N 2.96Å
830I93Very high92.4Very high13 Ų1370.7 Ų70.77%0.06735%0.353CS..Hα-helixtrans-70.7-32.4175.7-66.9-69.5000111.3F826 K834 F837 V840 Y856 F873F826-I830 HydrophobicContact CD1-CG1 4.04Å; F826-I830 HydrophobicContact CD2-CG1 4.35Å; F826-I830 HydrophobicContact CE1-CD1 4.42Å; F826-I830 HydrophobicContact CE1-CG1 3.64Å; F826-I830 HydrophobicContact CE2-CD1 4.16Å; F826-I830 HydrophobicContact CE2-CG1 3.97Å; F826-I830 HydrophobicContact CG-CG1 4.38Å; F826-I830 HydrophobicContact CZ-CD1 3.91Å; F826-I830 HydrophobicContact CZ-CG1 3.6Å; F826-I830 WeakPolarHBondContact O-CB 3.25Å; F826-I830 VanDerWaalsContact O-CG1 3.31Å; F826-I830 WeakPolarHBondContact O-CG1 3.43Å; F826-I830 PolarHBondContact O-N 3.23Å; I830-K834 WeakPolarHBondContact CD1-O 3.43Å; I830-K834 WeakPolarHBondContact O-CA 3.48Å; I830-K834 PolarHBondContact O-N 3.35Å; I830-F837 HydrophobicContact CD1-CE1 4.01Å; I830-V840 HydrophobicContact CD1-CG2 3.97Å; I830-V840 HydrophobicContact CG1-CG2 4.37Å; I830-Y856 HydrophobicContact CD1-CD2 4.23Å; I830-F873 HydrophobicContact CG2-CD2 4.22Å; I830-F873 HydrophobicContact CG2-CE2 3.55Å; I830-F873 HydrophobicContact CG2-CZ 3.82Å
831A90.3Very high92.7Very high75 Ų7569.3 Ų69.362%0.6234%0.341SS*.Hα-helixtrans-66.3-44.7173.500000112.3N827 Q828N827-A831 WeakPolarHBondContact O-CB 3.31Å; N827-A831 PolarHBondContact O-N 2.85Å; Q828-A831 PolarHBondContact O-N 3.43Å
832I93.4Very high92.9Very high94 Ų9473.3 Ų73.348%0.48235%0.346SS..Hα-helixtrans-79.6-55.5-177.5-59.7167.1000111.2Q828Q828-I832 HydrophobicContact CG-CD1 3.84Å; Q828-I832 VanDerWaalsContact O-CG1 3.32Å; Q828-I832 WeakPolarHBondContact O-CG1 3.39Å; Q828-I832 PolarHBondContact O-N 3.4Å
833Y92.6Very high92.9Very high94 Ų9475 Ų7537%0.36936%0.356SS..Hα-helixtrans-98.10.3-170.3-48.1-64.1000114.2G829 K835 D836 L839 L843G829-Y833 WeakPolarHBondContact O-CA 3.32Å; G829-Y833 WeakPolarHBondContact O-CB 3.32Å; G829-Y833 WeakPolarHBondContact O-CD2 3.34Å; G829-Y833 PolarHBondContact O-N 2.96Å; Y833-K835 VanDerWaalsContact C-N 3.34Å; Y833-K835 PolarHBondContact O-N 2.89Å; Y833-D836 PolarHBondContact O-N 2.86Å; Y833-L839 HydrophobicContact CD1-CB 3.99Å; Y833-L839 HydrophobicContact CD1-CD1 3.62Å; Y833-L839 HydrophobicContact CD1-CG 4.43Å; Y833-L839 HydrophobicContact CD2-CB 3.86Å; Y833-L839 HydrophobicContact CE1-CB 4.44Å; Y833-L839 HydrophobicContact CE1-CD1 4.12Å; Y833-L839 HydrophobicContact CE2-CB 4.33Å; Y833-L839 HydrophobicContact CG-CB 3.68Å; Y833-L839 HydrophobicContact CG-CD1 4.11Å; Y833-L843 HydrophobicContact CE2-CD2 4.48Å
834K89.5Confident93Very high155 Ų15571.1 Ų71.167%0.67434%0.341SS*.THydrogen-bonded Turntrans62.7-73.4172.1-63172.2-177.2168.20115.7I830I830-K834 WeakPolarHBondContact CD1-O 3.43Å; I830-K834 WeakPolarHBondContact O-CA 3.48Å; I830-K834 PolarHBondContact O-N 3.35Å
835K91.3Very high93.1Very high130 Ų13071.1 Ų71.157%0.56534%0.343SS*.THydrogen-bonded Turntrans-144.213.5179.9-64.9-174.1-176.3172.50112.5Y833 F837 Y856Y833-K835 VanDerWaalsContact C-N 3.34Å; Y833-K835 PolarHBondContact O-N 2.89Å; K835-F837 VanDerWaalsContact C-N 3.25Å; K835-F837 HydrophobicContact CB-CE2 4.14Å; K835-F837 HydrophobicContact CB-CZ 4.42Å; K835-F837 WeakPolarHBondContact O-CD2 3Å; K835-F837 WeakPolarHBondContact O-CE2 3.46Å; K835-F837 PolarHBondContact O-N 3.15Å; K835-Y856 WeakPolarHBondContact CE-OH 3.29Å
836D94.4Very high93.1Very high68 Ų6872.3 Ų72.336%0.36435%0.354SS..  trans-75.687167.4-165.4-40.1000108.6Y833 F838 L839 V840Y833-D836 PolarHBondContact O-N 2.86Å; D836-F838 PolarHBondContact O-N 3.16Å; D836-F838 WeakPolarHBondContact OD1-CB 3.35Å; D836-F838 PolarHBondContact OD1-N 3.3Å; D836-F838 VanDerWaalsContact OD1-N 3.09Å; D836-L839 HydrophobicContact CB-CB 4.21Å; D836-L839 HydrophobicContact CB-CD1 4.12Å; D836-L839 HydrophobicContact CB-CG 4.26Å; D836-L839 PolarHBondContact O-N 3.22Å; D836-L839 PolarHBondContact OD1-N 2.67Å; D836-V840 WeakPolarHBondContact O-CG2 3.35Å; D836-V840 PolarHBondContact O-N 3.15Å
837F94.3Very high93.1Very high32 Ų3273.2 Ų73.214%0.1436%0.358CS..Hα-helixtrans-66.1-14.9-178.2-63-73000113I830 K835 Q841 V849 V853 Y856I830-F837 HydrophobicContact CD1-CE1 4.01Å; K835-F837 VanDerWaalsContact C-N 3.25Å; K835-F837 HydrophobicContact CB-CE2 4.14Å; K835-F837 HydrophobicContact CB-CZ 4.42Å; K835-F837 WeakPolarHBondContact O-CD2 3Å; K835-F837 WeakPolarHBondContact O-CE2 3.46Å; K835-F837 PolarHBondContact O-N 3.15Å; F837-Q841 WeakPolarHBondContact O-CB 3.44Å; F837-Q841 PolarHBondContact O-N 3.36Å; F837-V849 HydrophobicContact CB-CG1 3.88Å; F837-V853 HydrophobicContact CB-CG2 3.97Å; F837-V853 HydrophobicContact CD1-CG2 3.85Å; F837-V853 HydrophobicContact CD2-CG2 3.61Å; F837-V853 HydrophobicContact CE1-CG2 4.23Å; F837-V853 HydrophobicContact CE2-CG2 4.01Å; F837-V853 HydrophobicContact CG-CG2 3.52Å; F837-V853 HydrophobicContact CZ-CG2 4.3Å; F837-Y856 HydrophobicContact CE1-CD1 4.37Å; F837-Y856 HydrophobicContact CE1-CD2 4.23Å; F837-Y856 AromaticContact CE1-CG 3.85Å; F837-Y856 HydrophobicContact CE1-CG 3.85Å; F837-Y856 AromaticContact CZ-CD1 3.81Å; F837-Y856 HydrophobicContact CZ-CD1 3.81Å; F837-Y856 HydrophobicContact CZ-CD2 4.22Å; F837-Y856 HydrophobicContact CZ-CE1 4.33Å; F837-Y856 AromaticContact CZ-CG 3.74Å; F837-Y856 HydrophobicContact CZ-CG 3.74Å
838F95.4Very high93.2Very high148 Ų14874.8 Ų74.865%0.64937%0.369SS*.Hα-helixtrans-76.7-42172.3-58.3-82.4000111D836 Q841 K842 V849D836-F838 PolarHBondContact O-N 3.16Å; D836-F838 WeakPolarHBondContact OD1-CB 3.35Å; D836-F838 PolarHBondContact OD1-N 3.3Å; D836-F838 VanDerWaalsContact OD1-N 3.09Å; F838-Q841 PolarHBondContact O-N 3Å; F838-K842 WeakPolarHBondContact O-CB 3.31Å; F838-K842 PolarHBondContact O-N 3.44Å; F838-V849 HydrophobicContact CD1-CG2 3.85Å; F838-V849 HydrophobicContact CE1-CG1 4.33Å; F838-V849 HydrophobicContact CE1-CG2 4.1Å
839L94.9Very high93.4Very high72 Ų7271.8 Ų71.838%0.37736%0.358SS..Hα-helixtrans-70.3-36.8173.7-64.6177.6000112.4Y833 D836 K842 L843Y833-L839 HydrophobicContact CD1-CB 3.99Å; Y833-L839 HydrophobicContact CD1-CD1 3.62Å; Y833-L839 HydrophobicContact CD1-CG 4.43Å; Y833-L839 HydrophobicContact CD2-CB 3.86Å; Y833-L839 HydrophobicContact CE1-CB 4.44Å; Y833-L839 HydrophobicContact CE1-CD1 4.12Å; Y833-L839 HydrophobicContact CE2-CB 4.33Å; Y833-L839 HydrophobicContact CG-CB 3.68Å; Y833-L839 HydrophobicContact CG-CD1 4.11Å; D836-L839 HydrophobicContact CB-CB 4.21Å; D836-L839 HydrophobicContact CB-CD1 4.12Å; D836-L839 HydrophobicContact CB-CG 4.26Å; D836-L839 PolarHBondContact O-N 3.22Å; D836-L839 PolarHBondContact OD1-N 2.67Å; L839-K842 PolarHBondContact O-N 3.43Å; L839-L843 PolarHBondContact O-N 3.21Å; L839-L843 VanDerWaalsContact O-N 3.15Å
840V94.4Very high93.4Very high0 Ų075.2 Ų75.20%039%0.386CS..Hα-helixtrans-63.3-44171.6175.80000110.9F826 I830 D836 L843 I844F826-V840 HydrophobicContact CD2-CG1 3.74Å; F826-V840 HydrophobicContact CE2-CG1 4.1Å; I830-V840 HydrophobicContact CD1-CG2 3.97Å; I830-V840 HydrophobicContact CG1-CG2 4.37Å; D836-V840 WeakPolarHBondContact O-CG2 3.35Å; D836-V840 PolarHBondContact O-N 3.15Å; V840-L843 PolarHBondContact O-N 2.95Å; V840-I844 HydrophobicContact CG1-CD1 3.75Å; V840-I844 WeakPolarHBondContact O-CG1 3.39Å; V840-I844 PolarHBondContact O-N 2.83Å
841Q95.8Very high93.3Very high54 Ų5476.5 Ų76.525%0.25239%0.391SS..Hα-helixtrans-62.9-43.2176.1-172.6-79.3-29.800111.5F837 F838 L843 I844 Q845 K847 V849F837-Q841 WeakPolarHBondContact O-CB 3.44Å; F837-Q841 PolarHBondContact O-N 3.36Å; F838-Q841 PolarHBondContact O-N 3Å; Q841-L843 PolarHBondContact O-N 3.43Å; Q841-I844 PolarHBondContact O-N 2.71Å; Q841-I844 VanDerWaalsContact O-N 3.11Å; Q841-Q845 PolarHBondContact O-N 2.9Å; Q841-K847 WeakPolarHBondContact CG-O 3.19Å; Q841-K847 PolarHBondContact NE2-O 3.14Å; Q841-V849 HydrophobicContact CB-CG2 3.88Å; Q841-V849 HydrophobicContact CG-CG2 3.89Å
842K95.3Very high93.4Very high147 Ų14772.9 Ų72.964%0.63936%0.362SS*.Hα-helixtrans-63-23.2176.8-170.9171.8-178.6178.30113.7F838 L839 Q845F838-K842 WeakPolarHBondContact O-CB 3.31Å; F838-K842 PolarHBondContact O-N 3.44Å; L839-K842 PolarHBondContact O-N 3.43Å; K842-Q845 VanDerWaalsContact O-CG 3.23Å; K842-Q845 WeakPolarHBondContact O-CG 3.41Å; K842-Q845 PolarHBondContact O-NE2 3.26Å
843L93.9Very high93.3Very high50 Ų5070.6 Ų70.626%0.26235%0.352SS..Hα-helixtrans-81.6-32.2174-177.463.3000113.1L825 Q828 Y833 L839 V840 Q841L825-L843 HydrophobicContact CB-CG 4.48Å; L825-L843 HydrophobicContact CD2-CD1 4.33Å; L825-L843 HydrophobicContact CD2-CG 4.33Å; L825-L843 WeakPolarHBondContact O-CD2 3.44Å; Q828-L843 HydrophobicContact CB-CD2 4.47Å; Q828-L843 HydrophobicContact CG-CD2 4.47Å; Y833-L843 HydrophobicContact CE2-CD2 4.48Å; L839-L843 PolarHBondContact O-N 3.21Å; L839-L843 VanDerWaalsContact O-N 3.15Å; V840-L843 PolarHBondContact O-N 2.95Å; Q841-L843 PolarHBondContact O-N 3.43Å
844I93Very high93.2Very high8 Ų867.8 Ų67.84%0.04134%0.342CS..Hα-helixtrans-89.8-39.1-177.8-61.5160.3000111.5W818 E822 L825 F826 V840 Q841 T846 K847W818-I844 HydrophobicContact CH2-CD1 4.27Å; W818-I844 HydrophobicContact CZ3-CD1 4.22Å; E822-I844 HydrophobicContact CB-CG2 4.26Å; E822-I844 HydrophobicContact CG-CG2 4.29Å; L825-I844 HydrophobicContact CB-CG1 4.11Å; F826-I844 HydrophobicContact CB-CD1 3.78Å; F826-I844 HydrophobicContact CD2-CD1 3.84Å; F826-I844 HydrophobicContact CG-CD1 4.31Å; V840-I844 HydrophobicContact CG1-CD1 3.75Å; V840-I844 WeakPolarHBondContact O-CG1 3.39Å; V840-I844 PolarHBondContact O-N 2.83Å; Q841-I844 PolarHBondContact O-N 2.71Å; Q841-I844 VanDerWaalsContact O-N 3.11Å; I844-T846 PolarHBondContact O-N 3.3Å; I844-K847 HydrophobicContact CG2-CB 4.03Å; I844-K847 HydrophobicContact CG2-CG 3.84Å
845Q91.7Very high93.1Very high146 Ų14661.1 Ų61.168%0.68231%0.313SS*.  trans63-42.3178.7-55.2-178.7700115.9Q841 K842 K847Q841-Q845 PolarHBondContact O-N 2.9Å; K842-Q845 VanDerWaalsContact O-CG 3.23Å; K842-Q845 WeakPolarHBondContact O-CG 3.41Å; K842-Q845 PolarHBondContact O-NE2 3.26Å; Q845-K847 PolarHBondContact O-N 3.15Å
846T92.9Very high93Very high85 Ų8555.7 Ų55.752%0.52129%0.289SS..SBendtrans-72.3-4.8-179.864.30000114.8E822 I844E822-T846 VanDerWaalsContact CD-OG1 3.28Å; E822-T846 WeakPolarHBondContact OE1-CB 3.42Å; E822-T846 PolarHBondContact OE1-OG1 2.88Å; I844-T846 PolarHBondContact O-N 3.3Å
847K92.8Very high92.7Very high19 Ų1959.1 Ų59.18%0.08330%0.298CS..SBendtrans-122.8153.9-178-64.4-62.6-176.2-177.80111H817 W818 Q841 I844 Q845 Q851H817-K847 WeakPolarHBondContact O-CE 3.3Å; H817-K847 PolarHBondContact O-NZ 2.95Å; W818-K847 HydrophobicContact CH2-CB 4.34Å; W818-K847 HydrophobicContact CH2-CG 3.83Å; W818-K847 HydrophobicContact CZ2-CD 4.16Å; W818-K847 HydrophobicContact CZ2-CG 3.95Å; W818-K847 HydrophobicContact CZ3-CG 4.21Å; Q841-K847 WeakPolarHBondContact CG-O 3.19Å; Q841-K847 PolarHBondContact NE2-O 3.14Å; I844-K847 HydrophobicContact CG2-CB 4.03Å; I844-K847 HydrophobicContact CG2-CG 3.84Å; Q845-K847 PolarHBondContact O-N 3.15Å; K847-Q851 HydrophobicContact CB-CB 4.34Å; K847-Q851 HydrophobicContact CD-CB 4.31Å
848T94.3Very high92Very high76 Ų7660.1 Ų60.147%0.46631%0.307SS..  trans-86.2164.1171.276.70000111.1A850 Q851 C852T848-A850 PolarHBondContact O-N 3.47Å; T848-A850 PolarHBondContact OG1-N 2.96Å; T848-Q851 PolarHBondContact O-N 3.3Å; T848-Q851 WeakPolarHBondContact OG1-CG 3.36Å; T848-Q851 PolarHBondContact OG1-N 3.17Å; T848-C852 PolarHBondContact O-N 3.19Å; T848-C852 PolarHBondContact O-SG 2.66Å; T848-C852 VanDerWaalsContact O-SG 3.32Å
849V94.5Very high91Very high42 Ų4254.7 Ų54.726%0.25528%0.282SS..Hα-helixtrans-59.9-34.3175.9-178.40000111.3F837 F838 Q841 V853F837-V849 HydrophobicContact CB-CG1 3.88Å; F838-V849 HydrophobicContact CD1-CG2 3.85Å; F838-V849 HydrophobicContact CE1-CG1 4.33Å; F838-V849 HydrophobicContact CE1-CG2 4.1Å; Q841-V849 HydrophobicContact CB-CG2 3.88Å; Q841-V849 HydrophobicContact CG-CG2 3.89Å; V849-V853 WeakPolarHBondContact O-CB 3.49Å; V849-V853 VanDerWaalsContact O-CG2 3.28Å; V849-V853 WeakPolarHBondContact O-CG2 3.48Å; V849-V853 PolarHBondContact O-N 3.29Å
850A93.1Very high90.2Very high72 Ų7255.6 Ų55.660%0.59528%0.283SS*.Hα-helixtrans-64.5-49.917700000111.5T848 C852 V853 E854T848-A850 PolarHBondContact O-N 3.47Å; T848-A850 PolarHBondContact OG1-N 2.96Å; A850-C852 VanDerWaalsContact C-N 3.34Å; A850-C852 PolarHBondContact O-N 3.41Å; A850-V853 PolarHBondContact O-N 3.2Å; A850-V853 VanDerWaalsContact O-N 3.09Å; A850-E854 PolarHBondContact O-N 3.11Å
851Q91.2Very high88.7Confident39 Ų3964.6 Ų64.618%0.18232%0.322CS..Hα-helixtrans-59.5-42.6177-64.5174.2-47.900111.6D816 W818 K847 T848 V853 E854 F855D816-Q851 PolarHBondContact OD1-NE2 3.48Å; D816-Q851 WeakPolarHBondContact OD2-CB 3.31Å; D816-Q851 WeakPolarHBondContact OD2-CG 3.41Å; W818-Q851 HydrophobicContact CZ2-CB 4.5Å; K847-Q851 HydrophobicContact CB-CB 4.34Å; K847-Q851 HydrophobicContact CD-CB 4.31Å; T848-Q851 PolarHBondContact O-N 3.3Å; T848-Q851 WeakPolarHBondContact OG1-CG 3.36Å; T848-Q851 PolarHBondContact OG1-N 3.17Å; Q851-V853 VanDerWaalsContact C-N 3.34Å; Q851-V853 PolarHBondContact O-N 3.05Å; Q851-E854 PolarHBondContact O-N 3.32Å; Q851-F855 WeakPolarHBondContact O-CB 3.47Å; Q851-F855 PolarHBondContact O-N 3.36Å
852C92.2Very high87.1Confident0 Ų067.6 Ų67.60%034%0.337CS..Hα-helixtrans-63.4-36.1174.7-65.60000113.1F826 T848 A850 Y856F826-C852 HydrophobicContact CE2-CB 4.45Å; F826-C852 WeakPolarHBondContact CE2-O 3.49Å; T848-C852 PolarHBondContact O-N 3.19Å; T848-C852 PolarHBondContact O-SG 2.66Å; T848-C852 VanDerWaalsContact O-SG 3.32Å; A850-C852 VanDerWaalsContact C-N 3.34Å; A850-C852 PolarHBondContact O-N 3.41Å; C852-Y856 WeakPolarHBondContact O-CB 3.45Å; C852-Y856 PolarHBondContact O-N 3.09Å
853V92.4Very high85.4Confident45 Ų4561.8 Ų61.827%0.27331%0.313SS..Hα-helixtrans-72.1-40.3175.1168.50000111F837 V849 A850 Q851 Y856 Y857F837-V853 HydrophobicContact CB-CG2 3.97Å; F837-V853 HydrophobicContact CD1-CG2 3.85Å; F837-V853 HydrophobicContact CD2-CG2 3.61Å; F837-V853 HydrophobicContact CE1-CG2 4.23Å; F837-V853 HydrophobicContact CE2-CG2 4.01Å; F837-V853 HydrophobicContact CG-CG2 3.52Å; F837-V853 HydrophobicContact CZ-CG2 4.3Å; V849-V853 WeakPolarHBondContact O-CB 3.49Å; V849-V853 VanDerWaalsContact O-CG2 3.28Å; V849-V853 WeakPolarHBondContact O-CG2 3.48Å; V849-V853 PolarHBondContact O-N 3.29Å; A850-V853 PolarHBondContact O-N 3.2Å; A850-V853 VanDerWaalsContact O-N 3.09Å; Q851-V853 VanDerWaalsContact C-N 3.34Å; Q851-V853 PolarHBondContact O-N 3.05Å; V853-Y856 WeakPolarHBondContact O-CB 3.27Å; V853-Y856 PolarHBondContact O-N 3.46Å; V853-Y857 HydrophobicContact CG1-CD2 3.96Å; V853-Y857 HydrophobicContact CG1-CE2 4.03Å; V853-Y857 VanDerWaalsContact O-CD2 3.29Å; V853-Y857 WeakPolarHBondContact O-CD2 3.39Å; V853-Y857 PolarHBondContact O-N 2.97Å; V853-Y857 VanDerWaalsContact O-N 3.09Å
854E89.4Confident83.5Confident35 Ų3567 Ų6716%0.16433%0.334CS..Hα-helixtrans-61.8-51.8175.8-170.2-173.4153.800111.1H811 T813 G814 A850 Q851 Y856 Y857 T858H811-E854 IonicContact CD2-OE2 2.69Å; H811-E854 IonicContact CE1-OE2 2.66Å; H811-E854 IonicContact NE2-OE2 2.67Å; H811-E854 PolarHBondContact NE2-OE2 3.35Å; T813-E854 VanDerWaalsContact CA-OE1 3.29Å; T813-E854 WeakPolarHBondContact CA-OE1 3.48Å; G814-E854 PolarHBondContact N-OE1 3.42Å; A850-E854 PolarHBondContact O-N 3.11Å; Q851-E854 PolarHBondContact O-N 3.32Å; E854-Y856 PolarHBondContact O-N 3.18Å; E854-Y857 CarbonylContact O-C 3.59Å; E854-Y857 WeakPolarHBondContact O-CA 3.43Å; E854-Y857 PolarHBondContact O-N 3.06Å; E854-T858 HydrophobicContact CG-CG2 4.34Å; E854-T858 PolarHBondContact O-N 3.3Å; E854-T858 PolarHBondContact O-OG1 3.08Å
855F88.3Confident81.6Confident16 Ų1672 Ų727%0.0736%0.359CS..Hα-helixtrans-57.9-36.6175.8-172.8-100.2000112W818 R823 F826 Q851 Y857 T858 Y859W818-F855 HydrophobicContact CB-CE2 4.36Å; W818-F855 AromaticContact CD1-CD2 3.75Å; W818-F855 HydrophobicContact CD2-CB 4.37Å; W818-F855 HydrophobicContact CD2-CD1 4.41Å; W818-F855 AromaticContact CD2-CD2 3.69Å; W818-F855 HydrophobicContact CD2-CD2 3.69Å; W818-F855 HydrophobicContact CD2-CE2 4.09Å; W818-F855 AromaticContact CD2-CG 3.89Å; W818-F855 HydrophobicContact CD2-CG 3.89Å; W818-F855 AromaticContact CE2-CD2 3.67Å; W818-F855 AromaticContact CE2-CG 3.61Å; W818-F855 HydrophobicContact CE3-CD1 4.29Å; W818-F855 HydrophobicContact CE3-CD2 4.3Å; W818-F855 HydrophobicContact CE3-CE1 4.48Å; W818-F855 HydrophobicContact CE3-CE2 4.48Å; W818-F855 HydrophobicContact CE3-CG 4.22Å; W818-F855 AromaticContact CG-CD2 3.79Å; W818-F855 HydrophobicContact CG-CD2 3.79Å; W818-F855 HydrophobicContact CG-CE2 4Å; W818-F855 HydrophobicContact CG-CG 4.47Å; W818-F855 HydrophobicContact CH2-CB 3.98Å; W818-F855 HydrophobicContact CH2-CD1 4.17Å; W818-F855 HydrophobicContact CH2-CG 4.07Å; W818-F855 HydrophobicContact CZ2-CB 3.37Å; W818-F855 HydrophobicContact CZ2-CD1 4.31Å; W818-F855 HydrophobicContact CZ2-CD2 4.29Å; W818-F855 AromaticContact CZ2-CG 3.74Å; W818-F855 HydrophobicContact CZ2-CG 3.74Å; W818-F855 HydrophobicContact CZ3-CD1 4.16Å; W818-F855 HydrophobicContact CZ3-CG 4.3Å; W818-F855 AromaticContact NE1-CD2 3.7Å; R823-F855 HydrophobicContact CG-CE1 4.44Å; R823-F855 HydrophobicContact CG-CE2 4.32Å; R823-F855 HydrophobicContact CG-CZ 3.78Å; F826-F855 AromaticContact CD1-CD1 3.63Å; F826-F855 HydrophobicContact CD1-CD1 3.63Å; F826-F855 AromaticContact CD1-CE1 3.53Å; F826-F855 HydrophobicContact CD1-CE1 3.53Å; F826-F855 HydrophobicContact CD2-CD1 4.03Å; F826-F855 AromaticContact CE1-CD1 3.58Å; F826-F855 HydrophobicContact CE1-CD1 3.58Å; F826-F855 AromaticContact CE1-CE1 3.76Å; F826-F855 HydrophobicContact CE1-CE1 3.76Å; F826-F855 AromaticContact CE2-CD1 3.99Å; F826-F855 HydrophobicContact CE2-CD1 3.99Å; F826-F855 AromaticContact CG-CD1 3.86Å; F826-F855 HydrophobicContact CG-CD1 3.86Å; F826-F855 HydrophobicContact CG-CE1 4.01Å; F826-F855 AromaticContact CZ-CD1 3.76Å; F826-F855 HydrophobicContact CZ-CD1 3.76Å; F826-F855 HydrophobicContact CZ-CE1 4.41Å; Q851-F855 WeakPolarHBondContact O-CB 3.47Å; Q851-F855 PolarHBondContact O-N 3.36Å; F855-Y857 VanDerWaalsContact C-N 3.34Å; F855-Y857 PolarHBondContact O-N 3.36Å; F855-T858 WeakPolarHBondContact CA-OG1 3.33Å; F855-T858 PolarHBondContact O-OG1 3.1Å; F855-Y859 HydrophobicContact CE1-CD2 4.38Å; F855-Y859 HydrophobicContact CE1-CG 4.34Å; F855-Y859 AromaticContact CE2-CD2 3.82Å; F855-Y859 HydrophobicContact CE2-CD2 3.82Å; F855-Y859 HydrophobicContact CE2-CG 4.46Å; F855-Y859 AromaticContact CZ-CD2 3.57Å; F855-Y859 HydrophobicContact CZ-CD2 3.57Å; F855-Y859 HydrophobicContact CZ-CE2 4.36Å; F855-Y859 AromaticContact CZ-CG 3.98Å; F855-Y859 HydrophobicContact CZ-CG 3.98Å; F855-Y859 WeakPolarHBondContact O-CB 3.39Å; F855-Y859 PolarHBondContact O-N 3.4Å
856Y89.5Confident79.8Confident16 Ų1666 Ų666%0.06334%0.337CS..Hα-helixtrans-58.5-43.2170.2178-102.4000112.4F826 I830 K835 F837 C852 V853 E854 K860 F873F826-Y856 HydrophobicContact CZ-CD2 4.34Å; I830-Y856 HydrophobicContact CD1-CD2 4.23Å; K835-Y856 WeakPolarHBondContact CE-OH 3.29Å; F837-Y856 HydrophobicContact CE1-CD1 4.37Å; F837-Y856 HydrophobicContact CE1-CD2 4.23Å; F837-Y856 AromaticContact CE1-CG 3.85Å; F837-Y856 HydrophobicContact CE1-CG 3.85Å; F837-Y856 AromaticContact CZ-CD1 3.81Å; F837-Y856 HydrophobicContact CZ-CD1 3.81Å; F837-Y856 HydrophobicContact CZ-CD2 4.22Å; F837-Y856 HydrophobicContact CZ-CE1 4.33Å; F837-Y856 AromaticContact CZ-CG 3.74Å; F837-Y856 HydrophobicContact CZ-CG 3.74Å; C852-Y856 WeakPolarHBondContact O-CB 3.45Å; C852-Y856 PolarHBondContact O-N 3.09Å; V853-Y856 WeakPolarHBondContact O-CB 3.27Å; V853-Y856 PolarHBondContact O-N 3.46Å; E854-Y856 PolarHBondContact O-N 3.18Å; Y856-K860 HydrophobicContact CE1-CD 3.77Å; Y856-K860 HydrophobicContact CE2-CD 4.44Å; Y856-K860 WeakPolarHBondContact O-CB 3.21Å; Y856-K860 PolarHBondContact O-N 2.85Å; Y856-K860 PolarHBondContact OH-NZ 2.92Å; Y856-F873 HydrophobicContact CD2-CE1 4.1Å; Y856-F873 AromaticContact CE2-CE1 3.96Å; Y856-F873 HydrophobicContact CE2-CE1 3.96Å; Y856-F873 HydrophobicContact CE2-CZ 4.13Å
857Y87.4Confident77.7Confident140 Ų14073.5 Ų73.555%0.54936%0.356SS..Hα-helixtrans-82.3-31.3-176.4-83.3-76.8000114.7V853 E854 F855V853-Y857 HydrophobicContact CG1-CD2 3.96Å; V853-Y857 HydrophobicContact CG1-CE2 4.03Å; V853-Y857 VanDerWaalsContact O-CD2 3.29Å; V853-Y857 WeakPolarHBondContact O-CD2 3.39Å; V853-Y857 PolarHBondContact O-N 2.97Å; V853-Y857 VanDerWaalsContact O-N 3.09Å; E854-Y857 CarbonylContact O-C 3.59Å; E854-Y857 WeakPolarHBondContact O-CA 3.43Å; E854-Y857 PolarHBondContact O-N 3.06Å; F855-Y857 VanDerWaalsContact C-N 3.34Å; F855-Y857 PolarHBondContact O-N 3.36Å
858T80.3Confident75.5Confident53 Ų5378.3 Ų78.333%0.32538%0.383SS..Hα-helixtrans-69-52.7170.557.40000109.8E854 F855 K860 K861E854-T858 HydrophobicContact CG-CG2 4.34Å; E854-T858 PolarHBondContact O-N 3.3Å; E854-T858 PolarHBondContact O-OG1 3.08Å; F855-T858 WeakPolarHBondContact CA-OG1 3.33Å; F855-T858 PolarHBondContact O-OG1 3.1Å; T858-K860 PolarHBondContact O-N 3.2Å; T858-K861 PolarHBondContact O-N 3.39Å
859Y73.7Confident73.5Confident33 Ų3377.1 Ų77.113%0.12939%0.385CS..Hα-helixtrans-72.5-31.1-174.3-145.9-77.3000113.6F855 K861 Q862 V863 F873 G874 D875F855-Y859 HydrophobicContact CE1-CD2 4.38Å; F855-Y859 HydrophobicContact CE1-CG 4.34Å; F855-Y859 AromaticContact CE2-CD2 3.82Å; F855-Y859 HydrophobicContact CE2-CD2 3.82Å; F855-Y859 HydrophobicContact CE2-CG 4.46Å; F855-Y859 AromaticContact CZ-CD2 3.57Å; F855-Y859 HydrophobicContact CZ-CD2 3.57Å; F855-Y859 HydrophobicContact CZ-CE2 4.36Å; F855-Y859 AromaticContact CZ-CG 3.98Å; F855-Y859 HydrophobicContact CZ-CG 3.98Å; F855-Y859 WeakPolarHBondContact O-CB 3.39Å; F855-Y859 PolarHBondContact O-N 3.4Å; Y859-K861 PolarHBondContact O-N 3.35Å; Y859-Q862 HydrophobicContact CD1-CB 4.35Å; Y859-Q862 HydrophobicContact CE1-CB 4.07Å; Y859-Q862 WeakPolarHBondContact O-CA 3.43Å; Y859-Q862 WeakPolarHBondContact O-CB 3.2Å; Y859-Q862 PolarHBondContact O-N 3.47Å; Y859-Q862 PolarHBondContact OH-OE1 2.75Å; Y859-V863 HydrophobicContact CD1-CG2 4.43Å; Y859-V863 PolarHBondContact O-N 2.85Å; Y859-F873 HydrophobicContact CD1-CB 3.79Å; Y859-F873 HydrophobicContact CD1-CD1 4.35Å; Y859-F873 HydrophobicContact CE1-CB 4.3Å; Y859-G874 VanDerWaalsContact OH-CA 3.31Å; Y859-G874 WeakPolarHBondContact OH-CA 3.25Å; Y859-D875 PolarHBondContact OH-N 3.42Å; Y859-D875 VanDerWaalsContact OH-N 3.15Å
860K77.7Confident71.5Confident92 Ų9278.8 Ų78.840%0.440%0.395SS..THydrogen-bonded Turntrans-56.8-25.7176.3173.9176.7-174.2172.40114.4Y856 T858 Q862Y856-K860 HydrophobicContact CE1-CD 3.77Å; Y856-K860 HydrophobicContact CE2-CD 4.44Å; Y856-K860 WeakPolarHBondContact O-CB 3.21Å; Y856-K860 PolarHBondContact O-N 2.85Å; Y856-K860 PolarHBondContact OH-NZ 2.92Å; T858-K860 PolarHBondContact O-N 3.2Å; K860-Q862 PolarHBondContact O-N 2.83Å
861K64.1Low69.7Low188 Ų18879.8 Ų79.882%0.81739%0.391SS*.THydrogen-bonded Turntrans-68.4-24.5173.9-62.5174.5-174.3171.10112.3T858 Y859T858-K861 PolarHBondContact O-N 3.39Å; Y859-K861 PolarHBondContact O-N 3.35Å
862Q60.8Low68.1Low118 Ų11880.4 Ų80.455%0.55140%0.397SS*.THydrogen-bonded Turntrans-95.7-8.3-177-55.3-179-1.200113.3Y859 K860 K864Y859-Q862 HydrophobicContact CD1-CB 4.35Å; Y859-Q862 HydrophobicContact CE1-CB 4.07Å; Y859-Q862 WeakPolarHBondContact O-CA 3.43Å; Y859-Q862 WeakPolarHBondContact O-CB 3.2Å; Y859-Q862 PolarHBondContact O-N 3.47Å; Y859-Q862 PolarHBondContact OH-OE1 2.75Å; K860-Q862 PolarHBondContact O-N 2.83Å; Q862-K864 PolarHBondContact O-N 2.78Å
863V59.2Low66.5Low25 Ų2581 Ų8115%0.15240%0.4CS..  trans-67.498.4-176.1178.40000111.4Y859 L871 F873Y859-V863 HydrophobicContact CD1-CG2 4.43Å; Y859-V863 PolarHBondContact O-N 2.85Å; V863-L871 HydrophobicContact CG1-CB 3.97Å; V863-L871 HydrophobicContact CG1-CD2 3.71Å; V863-L871 HydrophobicContact CG1-CG 4.39Å; V863-F873 HydrophobicContact CG2-CB 4.44Å; V863-F873 HydrophobicContact CG2-CD1 3.32Å; V863-F873 HydrophobicContact CG2-CD2 4.43Å; V863-F873 HydrophobicContact CG2-CE1 3.57Å; V863-F873 HydrophobicContact CG2-CG 3.79Å; V863-F873 HydrophobicContact CG2-CZ 4.22Å
864K55.3Low64.6Low159 Ų15980 Ų8069%0.69140%0.399SS*.PPolyproline II helixtrans-70.5137.1158-58.4170.2-171.8167.50107.7Q862 G866Q862-K864 PolarHBondContact O-N 2.78Å; K864-G866 PolarHBondContact O-N 2.9Å
865I52.7Low62.6Low113 Ų11383.4 Ų83.458%0.57942%0.418SS*.BIsolated β-bridgetrans-75.8122.9170.2-69.462000106.4L871I865-L871 HydrophobicContact CD1-CD2 4.14Å; I865-L871 HydrophobicContact CG1-CD2 3.88Å
866G54.8Low60.8Low21 Ų2185.7 Ų85.722%0.21643%0.433CS..PPolyproline II helixtrans-65.2161.3177.800000112.6K864 N868 G869 T870K864-G866 PolarHBondContact O-N 2.9Å; G866-N868 PolarHBondContact O-N 2.98Å; G866-G869 PolarHBondContact O-N 3.06Å; G866-T870 PolarHBondContact N-O 2.88Å; G866-T870 VanDerWaalsContact N-O 3.09Å
867R47.1Very low58.7Low242 Ų24290.2 Ų90.291%0.91346%0.458SS*.THydrogen-bonded Turntrans-54.5-22.6176.9-66.3176.7177.7124.7-7113.1D880R867-D880 IonicContact NH1-OD1 3.75Å; R867-D880 PolarHBondContact NH1-OD1 3.36Å
868N48Very low56.6Low120 Ų12089.4 Ų89.464%0.64247%0.468SS*.THydrogen-bonded Turntrans-93.33.2177.757.57.4000114.8G866 T870G866-N868 PolarHBondContact O-N 2.98Å; N868-T870 PolarHBondContact O-N 3.25Å; N868-T870 WeakPolarHBondContact OD1-CB 3.26Å; N868-T870 PolarHBondContact OD1-N 2.85Å
869G51.7Low54.9Low51 Ų5197.1 Ų97.153%0.52649%0.491SS..SBendtrans80.1-5.9-178.900000115.3G866G866-G869 PolarHBondContact O-N 3.06Å
870T52.2Low53.3Low76 Ų7699.2 Ų99.247%0.46651%0.505SS..  trans-70.4137.5175.8-60.40000110.6G866 N868 T872G866-T870 PolarHBondContact N-O 2.88Å; G866-T870 VanDerWaalsContact N-O 3.09Å; N868-T870 PolarHBondContact O-N 3.25Å; N868-T870 WeakPolarHBondContact OD1-CB 3.26Å; N868-T870 PolarHBondContact OD1-N 2.85Å; T870-T872 HydrophobicContact CG2-CG2 4.39Å; T870-T872 PolarHBondContact O-N 3.13Å
871L56.2Low51.7Low94 Ų94102.4 Ų102.449%0.49252%0.521SS..BIsolated β-bridgetrans-79.892.5170-63.1177.7000108.9V863 I865 F873V863-L871 HydrophobicContact CG1-CB 3.97Å; V863-L871 HydrophobicContact CG1-CD2 3.71Å; V863-L871 HydrophobicContact CG1-CG 4.39Å; I865-L871 HydrophobicContact CD1-CD2 4.14Å; I865-L871 HydrophobicContact CG1-CD2 3.88Å; L871-F873 HydrophobicContact CB-CD2 4.37Å; L871-F873 HydrophobicContact CB-CE2 3.72Å; L871-F873 HydrophobicContact CB-CZ 4.32Å; L871-F873 WeakPolarHBondContact O-CD2 3.35Å; L871-F873 WeakPolarHBondContact O-CE2 3.43Å; L871-F873 PolarHBondContact O-N 2.96Å
872T56.6Low50.5Low52 Ų52102.6 Ų102.632%0.31952%0.522SS..  trans-80.5107.7174.242.50000110.1T870 G874T870-T872 HydrophobicContact CG2-CG2 4.39Å; T870-T872 PolarHBondContact O-N 3.13Å; T872-G874 PolarHBondContact O-N 3.32Å
873F58.5Low49.4Very low12 Ų12100.2 Ų100.25%0.05352%0.518CS..  trans-87.559.8173.2-60-106000109.8F826 N827 I830 Y856 Y859 V863 L871F826-F873 HydrophobicContact CE1-CD1 4.48Å; N827-F873 PolarHBondContact ND2-O 3.22Å; N827-F873 WeakPolarHBondContact OD1-CB 3.5Å; N827-F873 PolarHBondContact OD1-O 2.98Å; N827-F873 VanDerWaalsContact OD1-O 3.04Å; I830-F873 HydrophobicContact CG2-CD2 4.22Å; I830-F873 HydrophobicContact CG2-CE2 3.55Å; I830-F873 HydrophobicContact CG2-CZ 3.82Å; Y856-F873 HydrophobicContact CD2-CE1 4.1Å; Y856-F873 AromaticContact CE2-CE1 3.96Å; Y856-F873 HydrophobicContact CE2-CE1 3.96Å; Y856-F873 HydrophobicContact CE2-CZ 4.13Å; Y859-F873 HydrophobicContact CD1-CB 3.79Å; Y859-F873 HydrophobicContact CD1-CD1 4.35Å; Y859-F873 HydrophobicContact CE1-CB 4.3Å; V863-F873 HydrophobicContact CG2-CB 4.44Å; V863-F873 HydrophobicContact CG2-CD1 3.32Å; V863-F873 HydrophobicContact CG2-CD2 4.43Å; V863-F873 HydrophobicContact CG2-CE1 3.57Å; V863-F873 HydrophobicContact CG2-CG 3.79Å; V863-F873 HydrophobicContact CG2-CZ 4.22Å; L871-F873 HydrophobicContact CB-CD2 4.37Å; L871-F873 HydrophobicContact CB-CE2 3.72Å; L871-F873 HydrophobicContact CB-CZ 4.32Å; L871-F873 WeakPolarHBondContact O-CD2 3.35Å; L871-F873 WeakPolarHBondContact O-CE2 3.43Å; L871-F873 PolarHBondContact O-N 2.96Å
874G53.4Low48.5Very low25 Ų25102.1 Ų102.126%0.25854%0.537SS..SBendtrans-164.4160.7179.600000112.9Y859 T872Y859-G874 VanDerWaalsContact OH-CA 3.31Å; Y859-G874 WeakPolarHBondContact OH-CA 3.25Å; T872-G874 PolarHBondContact O-N 3.32Å
875D47.3Very low47.5Very low105 Ų105103.2 Ų103.256%0.56154%0.544SS*.  trans-63.7142.6162.7-175.89000109.7Y859 D877Y859-D875 PolarHBondContact OH-N 3.42Å; Y859-D875 VanDerWaalsContact OH-N 3.15Å; D875-D877 WeakPolarHBondContact OD1-CB 3.41Å; D875-D877 PolarHBondContact OD1-N 3.27Å
876V50.5Low46.9Very low65 Ų65106.1 Ų106.139%0.39456%0.556SS.*  trans-115.9-11.3-175.4179.50000110.9T878 R879V876-T878 PolarHBondContact O-N 3.49Å; V876-R879 PolarHBondContact O-N 3.17Å
877D45.7Very low46.1Very low110 Ų110113.8 Ų113.859%0.58859%0.586SS**THydrogen-bonded Turntrans-81.926-160.4-56.3-8.3000112.7D875D875-D877 WeakPolarHBondContact OD1-CB 3.41Å; D875-D877 PolarHBondContact OD1-N 3.27Å
878T43.3Very low45.9Very low124 Ų124107.9 Ų107.976%0.76158%0.577SS**THydrogen-bonded Turntrans-126.310.6173.947.50000113.7V876V876-T878 PolarHBondContact O-N 3.49Å
879R44.7Very low45.5Very low214 Ų214111 Ų11181%0.80859%0.587SS**THydrogen-bonded Turntrans-133.9-32.5172.3-78.2-169167.6-162-8.1116V876 S883V876-R879 PolarHBondContact O-N 3.17Å; R879-S883 PolarHBondContact O-OG 3.26Å
880D39.4Very low44.7Very low77 Ų77115 Ų11541%0.41260%0.601SS.*SBendtrans-66-42.8179.4-103.9-123.3000111.6R867 K882 S883 A884R867-D880 IonicContact NH1-OD1 3.75Å; R867-D880 PolarHBondContact NH1-OD1 3.36Å; D880-K882 PolarHBondContact O-N 3.18Å; D880-S883 PolarHBondContact O-N 3.22Å; D880-S883 PolarHBondContact O-OG 3.15Å; D880-A884 WeakPolarHBondContact O-CB 3.28Å; D880-A884 PolarHBondContact O-N 2.97Å
881E44.6Very low43.6Very low159 Ų159118.5 Ų118.574%0.74362%0.617SS**Hα-helixtrans-58.4-41.7-173.9-67.7-138.8110.600114S883 A884E881-S883 VanDerWaalsContact C-N 3.25Å; E881-S883 PolarHBondContact O-N 3.36Å; E881-A884 PolarHBondContact O-N 3.35Å
882K37.5Very low42.7Very low192 Ų192119.7 Ų119.784%0.83563%0.628SS**Hα-helixtrans-76.1-11.1179.7-164.2158-174169.90113.7D880D880-K882 PolarHBondContact O-N 3.18Å
883S39.5Very low41.7Very low68 Ų68125.3 Ų125.348%0.47665%0.648SS.*Hα-helixtrans-97.7-23.1169.245.90000113.5R879 D880 E881 Q885R879-S883 PolarHBondContact O-OG 3.26Å; D880-S883 PolarHBondContact O-N 3.22Å; D880-S883 PolarHBondContact O-OG 3.15Å; E881-S883 VanDerWaalsContact C-N 3.25Å; E881-S883 PolarHBondContact O-N 3.36Å; S883-Q885 VanDerWaalsContact C-N 3.31Å; S883-Q885 PolarHBondContact O-N 2.85Å
884A39.1Very low40.3Very low66 Ų66131.2 Ų131.255%0.54569%0.685SS.*Hα-helixtrans-74.7-19.3-179.900000113.8D880 E881D880-A884 WeakPolarHBondContact O-CB 3.28Å; D880-A884 PolarHBondContact O-N 2.97Å; E881-A884 PolarHBondContact O-N 3.35Å
885Q34.9Very low39.2Very low181 Ų181135 Ų13585%0.84671%0.708SS**THydrogen-bonded Turntrans-94.7-2.7-178.3-165.9157.4-41.500114.1S883S883-Q885 VanDerWaalsContact C-N 3.31Å; S883-Q885 PolarHBondContact O-N 2.85Å
886E40.2Very low38.4Very low175 Ų175139 Ų13982%0.81872%0.723SS**SBendtrans-103.2-7.7179.7-154173.4143.900112.9
887E36.8Very low37.4Very low181 Ų181145.1 Ų145.185%0.84674%0.744SS**SBendtrans-104.719.2-176-150.7177.3-148.100113.5
888V44.3Very low36.5Very low119 Ų119149.5 Ų149.572%0.72176%0.758SS**  trans-129.657.3-178.5-163.90000112.5
889E39.3Very low35.9Very low184 Ų184148.8 Ų148.886%0.8676%0.756SS**SBendtrans-149.7100153.2-121.8163.1-144.600112.1
890V35.3Very low35Very low136 Ų136149.7 Ų149.782%0.82476%0.76SS**  trans24.6121.2159.7-69.90000121.5
891D28.8Very low34.3Very low150 Ų150151.5 Ų151.580%0.80277%0.773SS**  trans-116.7137.2139.5172.643.9000110
892V36.8Very low33.8Very low118 Ų118145.9 Ų145.972%0.71575%0.75SS**  trans-13685.5172.6-175.70000109.1
893K36.1Very low34Very low171 Ų171141.4 Ų141.474%0.74374%0.741SS**  trans38.3128.9147.9-57.8172.4-179.2168.10116.3
894T29.2Very low33.7Very low135 Ų135142.9 Ų142.983%0.82875%0.749SS**  -168.2129.378.820.90000115.2
895S29.9Very low33Very low106 Ų106150 Ų15074%0.74176%0.761SS**  trans11.5121.5141.41710000120.7
896Q30.3Very low32.7Very low188 Ų188151.9 Ų151.988%0.87976%0.761SS**  -161.4-165122.2-110.61799600114.1
897K29.3Very low31.9Very low193 Ų193151.4 Ų151.484%0.83976%0.759SS**  trans-94.5160.4-155.4-65.6174.9179.4170.90116.7
898F26.2Very low31.3Very low202 Ų202148 Ų14889%0.88675%0.754SS**  trans-44169.3159.5-64.9-90.6000116.1
899P32.5Very low31.1Very low109 Ų109148.2 Ų148.271%0.70876%0.759SS**  cis-139171.4-3.637.4-18.2000118.5
900R24Very low30.4Very low234 Ų234144 Ų14488%0.88375%0.749SS**  trans66.8127.6144.5-89.3-169.1172.5-178.4-1.9123.9
901V26.1Very low30Very low114 Ų114145.3 Ų145.369%0.69175%0.747SS**  trans92.4136.2132.4167.50000120.6
902P34.6Very low29.8Very low41 Ų41144.8 Ų144.827%0.26674%0.739SS.*  trans-101.1-164.1-178.144.5-42.5000113.5A964 A965P902-A964 HydrophobicContact CB-CB 4.39Å; P902-A964 VanDerWaalsContact CB-O 3.28Å; P902-A964 WeakPolarHBondContact CB-O 3.32Å; P902-A964 WeakPolarHBondContact CD-O 3.21Å; P902-A964 HydrophobicContact CG-CB 4.1Å; P902-A964 VanDerWaalsContact CG-O 3.24Å; P902-A964 WeakPolarHBondContact CG-O 3.22Å; P902-A965 HydrophobicContact CB-CB 3.65Å
903P41.1Very low29.3Very low98 Ų98148 Ų14864%0.63674%0.738SS**  cis-120.8-116.5-6.4243.9000110.4
904P33.7Very low28.9Very low100 Ų100146.3 Ų146.365%0.64974%0.737SS**  cis-137.2170.6-32.140-21.7000118.3
905R24.5Very low28.6Very low214 Ų214147 Ų14781%0.80873%0.731SS**  trans69.3141.3165.3-76.7178.6158.689-5.6117.2
906R26.8Very low28.8Very low222 Ų222147.2 Ų147.284%0.83873%0.73SS**  69.9125.554.2-132179-166.9175.65110.1
907E23.8Very low28.5Very low165 Ų165145.9 Ų145.977%0.77172%0.721SS**  -151172.965.1-88.4162.4-167.300117.2
908S24.8Very low28.3Very low108 Ų108146.2 Ų146.276%0.75572%0.717SS**  trans-91.9-150.2168.5-38.80000108.7
909P40.7Very low28.2Very low125 Ų125144.1 Ų144.181%0.81271%0.71SS**  cis-106-164.50.541.5-26.2000111.4
910S23.8Very low28Very low95 Ų95145.2 Ų145.266%0.66471%0.714SS**  cis-152.4175.325.868.40000111.9
911E27.7Very low28.1Very low163 Ų163143.7 Ų143.776%0.76271%0.714SS**  cis-157.5170.35-135153.7157.100112
912E24.9Very low28.1Very low140 Ų140146 Ų14665%0.65472%0.718SS**  trans30.2132.9141.6-156.887.4-177.200120.8
913R25.9Very low28.4Very low184 Ų184148.9 Ų148.969%0.69474%0.736SS**  cis174165.9-5176.2168.6179.7166.52.4112.9
914L26.4Very low27.7Very low137 Ų137155.2 Ų155.272%0.71775%0.747SS**  trans71.5118.7159.9-85.1157.3000121
915E23.9Very low27.7Very low149 Ų149156.5 Ų156.570%0.69674%0.742SS**  26.1156.6119.2-64.7-68.5146.700121.9
916P33.8Very low27.9Very low111 Ų111153.5 Ų153.572%0.72174%0.738SS**  cis-138.1-179.60.832.8-9.7000117.5
917K24Very low27.8Very low160 Ų160145.1 Ų145.170%0.69672%0.72SS**  trans-27.5152.1158.6-73.6167.5179150.90121.4
918R24.4Very low28.2Very low200 Ų200144.8 Ų144.876%0.75572%0.719SS**  trans80.6128.1130.3-82.7176.8179.4169.2-2.1123.1
919E24.5Very low28.6Very low158 Ų158147.9 Ų147.974%0.73872%0.721SS**  37.3129.9118.6-66.1176.6120.300122.2
920V28.1Very low27.9Very low131 Ų131149.8 Ų149.879%0.79472%0.719SS**  trans73.1116.8144.8175.40000119.1
921K25.8Very low28.8Very low203 Ų203151.3 Ų151.388%0.88372%0.724SS**  -164.1136.3125.7-114.8173.5-176.9179.10115.8
922E28Very low29.6Very low163 Ų163148.3 Ų148.376%0.76272%0.719SS**  trans-76.4175.2155.4-128.7-168.4-13200110.1
923P39.6Very low29.9Very low100 Ų100150 Ų15065%0.64973%0.727SS**  -161.3169.756.543.6-21.1000121.8
924R27.6Very low30Very low231 Ų231146.3 Ų146.387%0.87273%0.725SS**  trans70153.4142.3-80.2169.8174.6-176.3-4.7123.4
925K32.1Very low30Very low127 Ų127147.6 Ų147.655%0.55273%0.727SS**  cis-103-99.2-4.5-173.6-170.5140-149.50112.3E928K925-E928 WeakPolarHBondContact CE-OE1 3.48Å; K925-E928 IonicContact NZ-OE1 3.15Å; K925-E928 PolarHBondContact NZ-OE1 3.35Å; K925-E928 IonicContact NZ-OE2 2.69Å
926E28.9Very low30.2Very low152 Ų152146.1 Ų146.171%0.7172%0.72SS**  cis-169133.3-8.8-166.362.3-91.600107.7
927G25Very low29.8Very low45 Ų45148.9 Ų148.946%0.46472%0.721SS.*  cis171.7129.1-15.100000112.7
928E33.1Very low29.9Very low159 Ų159144.7 Ų144.774%0.74372%0.723SS**  trans61.2144.7167.3-74.5109.7-108.300119.2K925K925-E928 WeakPolarHBondContact CE-OE1 3.48Å; K925-E928 IonicContact NZ-OE1 3.15Å; K925-E928 PolarHBondContact NZ-OE1 3.35Å; K925-E928 IonicContact NZ-OE2 2.69Å
929E32Very low30Very low173 Ų173143.4 Ų143.481%0.80873%0.726SS**  cis-160.5175-9.3-150.4171.7175.800112.1
930E27.4Very low30Very low165 Ų165143.7 Ų143.777%0.77173%0.727SS**  trans61121.2166.5-60.1-146.4105.400121.4
931V40.7Very low30Very low126 Ų126145.3 Ų145.376%0.76473%0.726SS**  70.3140.669.4176.20000113.8
932P46.4Very low30.1Very low101 Ų101144.5 Ų144.566%0.65673%0.725SS**  cis-126.8157.81.327.3-4.7000118.7
933E31.3Very low30.1Very low175 Ų175140.4 Ų140.482%0.81873%0.727SS**  45.7162.6126.4-48.3-170.3118.300123.9
934T27.8Very low29.5Very low107 Ų107145.5 Ų145.566%0.65673%0.733SS**  cis-15516014.6-23.70000113.9
935Q26.5Very low29.5Very low163 Ų163140.6 Ų140.676%0.76272%0.72SS**  trans63.2146156.9-89.5175.4-7700120.7
936E27.9Very low29.4Very low118 Ų118145 Ų14555%0.55173%0.733SS**  cis-159.3156.5-10.2-151.9177.9148.700111.5
937K25.2Very low29.5Very low169 Ų169143.2 Ų143.274%0.73574%0.737SS**  trans36.1144.8158.8-76.1163-170.1153.90121.1
938G25.9Very low30Very low72 Ų72151.4 Ų151.474%0.74275%0.754SS**  cis104.2146.144.400000108.4
939E26.9Very low30.1Very low174 Ų174155.2 Ų155.281%0.81376%0.761SS**  cis-142.6153.27.6-72.3153.9172.300106.4
940Q24.8Very low29.9Very low164 Ų164151.7 Ų151.777%0.76676%0.762SS**  cis90.3124.836.6-172.1169.2-1900115.2
941E27.6Very low29.9Very low165 Ų165148.4 Ų148.477%0.77176%0.763SS**  trans64160.3170-80.4167.4119.600118
942E26.9Very low29.2Very low186 Ų186146.9 Ų146.987%0.86976%0.764SS**  cis-134.6167.86.7-150.3-162.3129.200111.6
943G28.4Very low28.4Very low76 Ų76149.4 Ų149.478%0.78478%0.777SS**  trans141.549.1174.300000115.9
944R26.8Very low28.4Very low207 Ų207150.3 Ų150.378%0.78178%0.778SS**  trans-89.3154.8-171.5-154.6-172.3-155.2-114.717.7113
945E29.1Very low28.7Very low129 Ų129149.2 Ų149.260%0.60378%0.78SS**  trans70160.9162.5-126.592.5-160.600114.3
946R29.3Very low29.1Very low220 Ų220147.8 Ų147.883%0.8378%0.783SS**  cis-153.5155.97.4-163.1162.5-146-178.75.4114.3
947S31.5Very low29.3Very low113 Ų113149.9 Ų149.979%0.7979%0.793SS**  trans113.8145144.1-1500000117
948R34.7Very low29.6Very low217 Ų217146.7 Ų146.782%0.81979%0.787SS**  trans-128.8174.5-171.6-62.4179.2-179.7-1780.5109.3
949R34.4Very low29.7Very low239 Ų239150.2 Ų150.290%0.90279%0.788SS**  trans76.2158.3165.7-41.1177.9-170.6-124.75.1113.2
950A27.7Very low29.7Very low100 Ų100149.9 Ų149.983%0.82679%0.787SS**  cis-134.2179.60.600000111.4
951A27.3Very low29.9Very low95 Ų95145.9 Ų145.979%0.78578%0.782SS**  trans-117.3166.6-174.300000113.5
952A27.3Very low30Very low95 Ų95143.8 Ų143.879%0.78578%0.776SS**  trans71.2142.8156.100000120.2
953V30Very low30.4Very low154 Ų154143 Ų14393%0.93377%0.772SS**  -155.8165.9125.9138.10000107.9
954K31.2Very low30.6Very low193 Ų193142 Ų14284%0.83976%0.757SS**  trans-123.4142.3-160.7-89.1-175.9175.7-1800115.3
955A33.3Very low31Very low84 Ų84135.8 Ų135.869%0.69475%0.749SS**  75.8162.2128.100000124.4
956T34.4Very low31Very low133 Ų133133.3 Ų133.382%0.81675%0.746SS**  trans76.9147.9156.538.20000119.5
957Q32.3Very low31.1Very low163 Ų163129.8 Ų129.876%0.76274%0.744SS**  cis-153.315112-139.8-176.3-5.400114.8
958T31.3Very low31.3Very low102 Ų102129.9 Ų129.963%0.62674%0.739SS**  trans31.6151.1147.149.20000123.4
959L27.8Very low31.2Very low145 Ų145126.4 Ų126.476%0.75974%0.736SS**  cis-149.3143.144.2-70159000110.5
960Q28Very low31Very low167 Ų167122 Ų12278%0.7873%0.729SS**  65.7141.369.5-81-166.8-21.500116.2
961A29.7Very low30.9Very low80 Ų80122.6 Ų122.666%0.66172%0.718SS**  cis-174.1172.6-3.900000110.1
962N29.5Very low31Very low121 Ų121128.5 Ų128.565%0.64772%0.72SS**  cis-169.8157.3-22.1-102.227.3000111.6
963E34.6Very low30.9Very low171 Ų171128.8 Ų128.880%0.79972%0.716SS**  trans62.1162.4138.5-69.3172.9122.200123.5
964A32.4Very low30.6Very low55 Ų55129.9 Ų129.946%0.45571%0.711SS.*  cis-170.8174.5-20.800000113P902P902-A964 HydrophobicContact CB-CB 4.39Å; P902-A964 VanDerWaalsContact CB-O 3.28Å; P902-A964 WeakPolarHBondContact CB-O 3.32Å; P902-A964 WeakPolarHBondContact CD-O 3.21Å; P902-A964 HydrophobicContact CG-CB 4.1Å; P902-A964 VanDerWaalsContact CG-O 3.24Å; P902-A964 WeakPolarHBondContact CG-O 3.22Å
965A35.3Very low30.3Very low75 Ų75128 Ų12862%0.6271%0.705SS**  trans37.9176.8160.200000122.1P902P902-A965 HydrophobicContact CB-CB 3.65Å
966S28.6Very low30.5Very low77 Ų77128.5 Ų128.554%0.53870%0.701SS.*  cis-141.7175.55.8-58.10000110.1
967D32Very low30Very low147 Ų147129.2 Ų129.279%0.78670%0.7SS**  cis82.8141.921.6-127.1-11.2000115.4
968V35.5Very low29.7Very low114 Ų114125.3 Ų125.369%0.69170%0.696SS**  cis-157.3178.120-152.40000112.9
969L32.8Very low29.9Very low145 Ų145126.5 Ų126.576%0.75971%0.705SS**  trans89.4127.6160.9-59.2-178.1000120.4
970I29.7Very low29.8Very low145 Ų145122.7 Ų122.774%0.74470%0.701SS**  99134.853-93.3-176000112.3
971L26.9Very low30.5Very low114 Ų114120.8 Ų120.860%0.59770%0.703SS**  cis-163.7171.712-154.868.9000113.2
972R28.4Very low30.2Very low219 Ų219122 Ų12283%0.82671%0.713SS**  trans67.8152.2153.5-85.2174.4-177.3128.74119.4
973S25.1Very low30Very low100 Ų100119.5 Ų119.570%0.69972%0.715SS**  cis-177.1163.9-2547.30000113.1
974H24.8Very low29.6Very low178 Ų178115.7 Ų115.782%0.82471%0.713SS**  trans102.5141.2148.7-145.5-83.6000119.1
975E23.9Very low29.3Very low154 Ų154121.5 Ų121.572%0.7273%0.731SS**  trans-93-159.3177.4-133.5-14211300108.9N977E975-N977 PolarHBondContact OE1-N 2.82Å
976P37.5Very low28.8Very low94 Ų94123.7 Ų123.761%0.6174%0.737SS**  cis-142.4173.51344.2-24000120.1
977N24.1Very low28.6Very low147 Ų147124.6 Ų124.679%0.78674%0.743SS**  trans86.3160.7137.4-116.3-41.1000123.7E975E975-N977 PolarHBondContact OE1-N 2.82Å
978A25.1Very low28.2Very low82 Ų82125.9 Ų125.968%0.67874%0.744SS**  trans-106.6-162.9-176.900000110.9
979P36.8Very low27.7Very low127 Ų127129.7 Ų129.783%0.82575%0.752SS**  cis-134.5-166.81.941.8-21000115.6
980G24.2Very low27.7Very low65 Ų65127.8 Ų127.867%0.6775%0.748SS**  trans-92.3-147.4169.300000113
981P42.8Very low27.5Very low126 Ų126131.7 Ų131.782%0.81875%0.753SS**  cis-138.7-162.2-2.644.1-25.2000114.7
982A24.2Very low27.4Very low106 Ų106135.4 Ų135.488%0.87677%0.768SS**  trans68.3160.7167.300000117.9
983G25Very low27.2Very low68 Ų68128.2 Ų128.270%0.70176%0.762SS**  cis166.7149-12.900000114.1
984A25.9Very low27.8Very low92 Ų92130.2 Ų130.276%0.7677%0.772SS**  trans66.6170.8174.900000115.9
985Q27.3Very low27.9Very low177 Ų177125 Ų12583%0.82777%0.767SS**  cis-149.8-171.10-145.4166.1112.800112.6
986T23.9Very low28.3Very low121 Ų121127.8 Ų127.874%0.74278%0.777SS**  trans-65-179.1-178520000114.8
987S24.3Very low28Very low95 Ų95128.7 Ų128.766%0.66479%0.786SS**  cis-166.9-166.128.9-166.90000113.2
988E24.3Very low28.4Very low174 Ų174131.8 Ų131.881%0.81379%0.786SS**  trans105.1154.8154.4-57.3-62.475.300120.9
989K24.5Very low28.4Very low194 Ų194138.3 Ų138.384%0.84379%0.793SS**  trans-132.3-176.3-170.4-110.3173.1-176.4168.30107.3
990P33.8Very low27.9Very low105 Ų105136.4 Ų136.468%0.68279%0.789SS**  cis-145.9-17726.241.3-18.9000118.1
991R24Very low28.3Very low228 Ų228140.9 Ų140.986%0.8680%0.796SS**  trans22.8139.9145.3-57.8167.2-179.3169.7-0119.5
992E26.2Very low28.2Very low191 Ų191140.3 Ų140.389%0.89379%0.792SS**  -163.4-167.169.1-82.9-168.2142.500113.8
993G24.6Very low28.4Very low68 Ų68144.3 Ų144.370%0.70179%0.79SS**  trans-135.8-153.7173.500000111
994P37.7Very low28.7Very low142 Ų142147.3 Ų147.392%0.92280%0.795SS**  cis-133.2-172.2-0.943.2-26.2000114.6
995G27Very low28.9Very low70 Ų70150.1 Ų150.172%0.72279%0.793SS**  trans177.6153.6168.400000115.1
996K32.3Very low29Very low211 Ų211149.7 Ų149.792%0.91779%0.788SS**  trans-151.2148.8-176.5-67.7-177.5-179.5174.80115.4
997S30.6Very low29.3Very low114 Ų114153.4 Ų153.480%0.79779%0.794SS**  trans74.8160154.3-122.90000117.5
998R31.1Very low29.5Very low211 Ų211157.9 Ų157.980%0.79680%0.802SS**  cis-159.6156.211.4-158.6170.9-168.2-177.25.4114.3
999R25.5Very low29.7Very low219 Ų219159.3 Ų159.383%0.82681%0.805SS**  trans109.6141.6139.9-147.5-175.6-59.6-124.28.8118.6
1000A26.6Very low30.1Very low88 Ų88155.8 Ų155.873%0.72780%0.802SS**  trans-159.1178.8176.600000108.2
1001L33.4Very low30.1Very low158 Ų158160 Ų16083%0.82781%0.812SS**  cis-129-115.1-2.1-146.7175.9000108.3
1002P41.1Very low30.4Very low114 Ų114154.2 Ų154.274%0.7481%0.814SS**  cis-122.3-148.7-9.945.4-27.9000113.3
1003F27.9Very low30.5Very low190 Ų190154.1 Ų154.183%0.83381%0.811SS**  trans-138.6149.2-178-149.9-134.7000106.2
1004T31.6Very low30.9Very low131 Ų131157.2 Ų157.280%0.80481%0.811SS**  178.1177.378.335.70000112.1
1005E28.9Very low30.7Very low151 Ų151159.3 Ų159.371%0.70681%0.806SS**  trans-88.5162.1-176.5-46.6172.899.800117.9
1006K29.2Very low31.3Very low168 Ų168161.5 Ų161.573%0.7381%0.805SS**  156.6130106.9-98.1163.6178.980.90115.8
1007K31.2Very low31.7Very low199 Ų199160.3 Ų160.387%0.86580%0.802SS**  trans44.2161.5150.3-80.8177176.5171.30119.9
1008K28.6Very low32.2Very low190 Ų190160.6 Ų160.683%0.82680%0.795SS**  cis-164149.919.3-147.5177.5-178.8-177.60109.7
1009K27.5Very low33Very low204 Ų204156.4 Ų156.489%0.88779%0.785SS**  trans-164.3171.6153.7-106.3-154.2175.3177.60111.6
1010P34.2Very low34.4Very low119 Ų119154.6 Ų154.677%0.77379%0.785SS**  trans-106.8-171.5-140.343.2-40.3000117.1
1011E32.9Very low36.2Very low194 Ų194155.1 Ų155.191%0.90778%0.776SS**  trans-99.9162.5-163.7-56.4170110.600115.7
1012A29.4Very low38.5Very low107 Ų107149.7 Ų149.788%0.88475%0.749SS**  trans-150.2160.1157.300000109.7
1013F29.6Very low40.7Very low189 Ų189147.2 Ų147.283%0.82973%0.727SS**  trans-122.2168-147-160.6-122.6000115.7
1014N32.6Very low43.7Very low132 Ų132141.4 Ų141.471%0.70671%0.709SS**  trans66.192.1167.8-77.2-30.6000121.2
1015K32.5Very low46.6Very low187 Ų187135.4 Ų135.481%0.81367%0.672SS**  trans-16358.5136-152.8166.2-173.4170.50114.8Q1019K1015-Q1019 PolarHBondContact O-NE2 3.3Å
1016T41.4Very low49.4Very low115 Ų115137.3 Ų137.371%0.70668%0.678SS**  trans-13052.4-163-32.30000115.8
1017Q40Very low52.2Low186 Ų186134.9 Ų134.987%0.86967%0.667SS**SBendtrans-124.93.4165.3-150.1-179.29.300114
1018N40.9Very low55.1Low120 Ų120128.1 Ų128.164%0.64264%0.644SS**SBendtrans-118.92.6178-98.6-82.1000114.1T1022N1018-T1022 PolarHBondContact O-OG1 2.94Å
1019Q48.7Very low57.9Low124 Ų124121.4 Ų121.458%0.57963%0.63SS**SBendtrans-82.9-31.6-178-60.1-167.630.100113.1K1015 N1021 T1022K1015-Q1019 PolarHBondContact O-NE2 3.3Å; Q1019-N1021 PolarHBondContact O-N 3.48Å; Q1019-T1022 VanDerWaalsContact O-CB 3.31Å; Q1019-T1022 WeakPolarHBondContact O-CB 3.45Å; Q1019-T1022 PolarHBondContact O-N 3.28Å; Q1019-T1022 VanDerWaalsContact O-N 3.07Å
1020E55.2Low60.9Low180 Ų180119.8 Ų119.884%0.84162%0.618SS**THydrogen-bonded Turntrans-71.6-28-172.7-166.3164.8-139.600114.1T1022E1020-T1022 VanDerWaalsContact C-N 3.29Å; E1020-T1022 PolarHBondContact O-N 3.4Å
1021N63.4Low63.6Low100 Ų100117.7 Ų117.754%0.53560%0.602SS.*THydrogen-bonded Turntrans-84.61.7172.7-74.3-62.9000113.6Q1019 F1023 Y1033Q1019-N1021 PolarHBondContact O-N 3.48Å; N1021-F1023 WeakPolarHBondContact O-CD2 3.42Å; N1021-F1023 VanDerWaalsContact O-CE2 3.3Å; N1021-F1023 WeakPolarHBondContact O-CE2 3.27Å; N1021-Y1033 CarbonylContact O-C 3.59Å; N1021-Y1033 VanDerWaalsContact O-CA 3.25Å; N1021-Y1033 WeakPolarHBondContact O-CA 3.41Å
1022T81.3Confident66.4Low43 Ų43110.4 Ų110.426%0.26457%0.568SS.*  trans-109103.3-164.1-70.40000110.7N1018 Q1019 E1020 P1024 V1031N1018-T1022 PolarHBondContact O-OG1 2.94Å; Q1019-T1022 VanDerWaalsContact O-CB 3.31Å; Q1019-T1022 WeakPolarHBondContact O-CB 3.45Å; Q1019-T1022 PolarHBondContact O-N 3.28Å; Q1019-T1022 VanDerWaalsContact O-N 3.07Å; E1020-T1022 VanDerWaalsContact C-N 3.29Å; E1020-T1022 PolarHBondContact O-N 3.4Å; T1022-P1024 WeakPolarHBondContact O-CD 3.13Å; T1022-V1031 HydrophobicContact CG2-CG1 3.61Å; T1022-V1031 HydrophobicContact CG2-CG2 4.38Å
1023F88.1Confident69.3Low63 Ų63112.7 Ų112.728%0.27656%0.555SS.*EExtended strand (participates in β ladder)trans-107.697.9-172.3-52.5-80.1000112.2N1021 F1032 V1035 R1038N1021-F1023 WeakPolarHBondContact O-CD2 3.42Å; N1021-F1023 VanDerWaalsContact O-CE2 3.3Å; N1021-F1023 WeakPolarHBondContact O-CE2 3.27Å; F1023-F1032 WeakPolarHBondContact CB-O 3.3Å; F1023-F1032 WeakPolarHBondContact CD2-O 3.46Å; F1023-F1032 PolarHBondContact N-O 3.44Å; F1023-F1032 PolarHBondContact O-N 2.99Å; F1023-V1035 HydrophobicContact CD1-CG2 3.93Å; F1023-V1035 HydrophobicContact CD2-CG2 4.05Å; F1023-V1035 HydrophobicContact CE1-CG2 3.6Å; F1023-V1035 HydrophobicContact CE2-CG2 3.75Å; F1023-V1035 HydrophobicContact CG-CG2 4.15Å; F1023-V1035 HydrophobicContact CZ-CG2 3.52Å; F1023-R1038 HydrophobicContact CB-CB 4.4Å; F1023-R1038 WeakPolarHBondContact O-CD 3.41Å
1024P90.9Very high72.2Confident68 Ų68110.9 Ų110.944%0.44255%0.547SS..EExtended strand (participates in β ladder)trans-79.4140.7-178.330-35.7000114.1T1022 V1031 R1038T1022-P1024 WeakPolarHBondContact O-CD 3.13Å; P1024-V1031 HydrophobicContact CB-CG2 4.29Å; P1024-R1038 VanDerWaalsContact O-CZ 3.31Å; P1024-R1038 PolarHBondContact O-NE 3.36Å; P1024-R1038 PolarHBondContact O-NH2 2.9Å
1025C92Very high75Confident5 Ų5108.4 Ų108.43%0.03454%0.536CS..  trans-70125.3173.6177.80000111.7K1027 G1029 R1030 F1032 H1041 M1042C1025-K1027 VanDerWaalsContact C-N 3.26Å; C1025-K1027 PolarHBondContact O-N 3.26Å; C1025-K1027 PolarHBondContact SG-N 3.23Å; C1025-K1027 VanDerWaalsContact SG-N 3.38Å; C1025-G1029 WeakPolarHBondContact O-CA 3.45Å; C1025-G1029 PolarHBondContact O-N 3.44Å; C1025-R1030 HydrophobicContact CB-CB 4.36Å; C1025-R1030 WeakPolarHBondContact CB-O 3.43Å; C1025-R1030 PolarHBondContact N-O 3.33Å; C1025-F1032 HydrophobicContact CB-CE2 4.26Å; C1025-H1041 VanDerWaalsContact SG-CD2 3.59Å; C1025-H1041 PolarHBondContact SG-NE2 2.94Å; C1025-M1042 WeakPolarHBondContact SG-CE 3.49Å
1026K88.3Confident77.7Confident191 Ų191108.1 Ų108.183%0.8354%0.535SS*.THydrogen-bonded Turntrans-72.7-9.9178.5-74.9-167.3174.2-166.50114.9
1027K88.5Confident80.1Confident116 Ų116105 Ų10550%0.50452%0.518SS..THydrogen-bonded Turntrans-107.8-15.9-178.6-71-96.4-178.4164.70114.3C1025 M1042 H1045 E1049C1025-K1027 VanDerWaalsContact C-N 3.26Å; C1025-K1027 PolarHBondContact O-N 3.26Å; C1025-K1027 PolarHBondContact SG-N 3.23Å; C1025-K1027 VanDerWaalsContact SG-N 3.38Å; K1027-M1042 HydrophobicContact CB-CE 3.84Å; K1027-M1042 HydrophobicContact CG-CE 3.71Å; K1027-H1045 HydrophobicContact CB-CB 4.31Å; K1027-H1045 HydrophobicContact CG-CB 4.4Å; K1027-E1049 WeakPolarHBondContact CE-OE2 3.48Å; K1027-E1049 IonicContact NZ-OE1 3.93Å; K1027-E1049 PolarHBondContact NZ-OE1 3.05Å; K1027-E1049 IonicContact NZ-OE2 2.76Å; K1027-E1049 PolarHBondContact NZ-OE2 2.87Å
1028C90.5Very high82.6Confident57 Ų5799.2 Ų99.239%0.38549%0.488SS..THydrogen-bonded Turntrans-151.417.4176.171.90000115.3R1030 H1041 H1045C1028-R1030 PolarHBondContact O-N 2.85Å; C1028-H1041 VanDerWaalsContact SG-CE1 3.53Å; C1028-H1041 PolarHBondContact SG-NE2 3.42Å; C1028-H1045 PolarHBondContact SG-NE2 2.96Å
1029G87.8Confident85Confident50 Ų5096.6 Ų96.652%0.51548%0.479SS..  trans72.4-25.1176.800000116.2C1025 V1031C1025-G1029 WeakPolarHBondContact O-CA 3.45Å; C1025-G1029 PolarHBondContact O-N 3.44Å; G1029-V1031 PolarHBondContact O-N 2.98Å
1030R91.1Very high87.1Confident170 Ų17093.7 Ų93.764%0.64248%0.476SS*.  trans-46.6125.5-174.8-72-176.9-175.7-173.72112.9C1025 C1028 F1032C1025-R1030 HydrophobicContact CB-CB 4.36Å; C1025-R1030 WeakPolarHBondContact CB-O 3.43Å; C1025-R1030 PolarHBondContact N-O 3.33Å; C1028-R1030 PolarHBondContact O-N 2.85Å; R1030-F1032 HydrophobicContact CB-CE2 3.78Å; R1030-F1032 HydrophobicContact CB-CZ 4.09Å; R1030-F1032 VanDerWaalsContact O-CD2 3.28Å; R1030-F1032 WeakPolarHBondContact O-CD2 3.38Å; R1030-F1032 WeakPolarHBondContact O-CE2 3.31Å
1031V91.4Very high89Confident74 Ų7486.4 Ų86.445%0.44844%0.442SS..EExtended strand (participates in β ladder)trans-87.4139.5-178164.90000110.9T1022 P1024 G1029T1022-V1031 HydrophobicContact CG2-CG1 3.61Å; T1022-V1031 HydrophobicContact CG2-CG2 4.38Å; P1024-V1031 HydrophobicContact CB-CG2 4.29Å; G1029-V1031 PolarHBondContact O-N 2.98Å
1032F91.6Very high90.4Very high41 Ų4183.8 Ų83.818%0.1843%0.427CS..EExtended strand (participates in β ladder)trans-132.6130.3176.3-62.2-90.4000110.6F1023 C1025 R1030 K1034 R1038 H1041F1023-F1032 WeakPolarHBondContact CB-O 3.3Å; F1023-F1032 WeakPolarHBondContact CD2-O 3.46Å; F1023-F1032 PolarHBondContact N-O 3.44Å; F1023-F1032 PolarHBondContact O-N 2.99Å; C1025-F1032 HydrophobicContact CB-CE2 4.26Å; R1030-F1032 HydrophobicContact CB-CE2 3.78Å; R1030-F1032 HydrophobicContact CB-CZ 4.09Å; R1030-F1032 VanDerWaalsContact O-CD2 3.28Å; R1030-F1032 WeakPolarHBondContact O-CD2 3.38Å; R1030-F1032 WeakPolarHBondContact O-CE2 3.31Å; F1032-K1034 PolarHBondContact O-N 3.41Å; F1032-R1038 HydrophobicContact CB-CB 3.99Å; F1032-R1038 HydrophobicContact CD2-CB 3.93Å; F1032-R1038 HydrophobicContact CD2-CG 4.26Å; F1032-R1038 HydrophobicContact CG-CB 4.06Å; F1032-H1041 HydrophobicContact CE1-CB 4.05Å; F1032-H1041 HydrophobicContact CE2-CB 4.09Å; F1032-H1041 AromaticContact CE2-CD2 3.22Å; F1032-H1041 WeakPolarHBondContact CE2-CD2 3.45Å; F1032-H1041 AromaticContact CE2-CG 3.76Å; F1032-H1041 AromaticContact CE2-NE2 3.93Å; F1032-H1041 HydrophobicContact CZ-CB 3.55Å; F1032-H1041 AromaticContact CZ-CD2 3.32Å; F1032-H1041 WeakPolarHBondContact CZ-CD2 3.46Å; F1032-H1041 AromaticContact CZ-CG 3.35Å
1033Y90.1Very high90.9Very high155 Ų15589.3 Ų89.361%0.60845%0.448SS*.SBendtrans-76.85.3178.7-61.1-70.9000115N1021N1021-Y1033 CarbonylContact O-C 3.59Å; N1021-Y1033 VanDerWaalsContact O-CA 3.25Å; N1021-Y1033 WeakPolarHBondContact O-CA 3.41Å
1034K90.8Very high91.1Very high152 Ų15289.1 Ų89.166%0.66145%0.454SS*.SBendtrans-146.7132.2179.2-62.2-174.4-180177.50110.1F1032 K1036 S1037 R1038F1032-K1034 PolarHBondContact O-N 3.41Å; K1034-K1036 PolarHBondContact O-N 2.81Å; K1034-K1036 VanDerWaalsContact O-N 3.13Å; K1034-S1037 PolarHBondContact O-N 3.43Å; K1034-S1037 PolarHBondContact O-OG 3.18Å; K1034-R1038 PolarHBondContact O-N 3.29Å
1035V89.5Confident91.2Very high79 Ų7987.2 Ų87.248%0.47944%0.439SS..Hα-helixtrans-51.4-40.9177.5-176.60000111.7F1023 S1037 R1038 S1039F1023-V1035 HydrophobicContact CD1-CG2 3.93Å; F1023-V1035 HydrophobicContact CD2-CG2 4.05Å; F1023-V1035 HydrophobicContact CE1-CG2 3.6Å; F1023-V1035 HydrophobicContact CE2-CG2 3.75Å; F1023-V1035 HydrophobicContact CG-CG2 4.15Å; F1023-V1035 HydrophobicContact CZ-CG2 3.52Å; V1035-S1037 PolarHBondContact O-N 2.94Å; V1035-R1038 WeakPolarHBondContact O-CB 3.31Å; V1035-R1038 PolarHBondContact O-N 2.9Å; V1035-S1039 PolarHBondContact O-N 3.4Å; V1035-S1039 PolarHBondContact O-OG 3.46Å
1036K89.8Confident91.1Very high181 Ų18189.8 Ų89.879%0.78746%0.461SS*.Hα-helixtrans-65.6-35-175.1-163.4169.1-174.6172.40114K1034 A1040K1034-K1036 PolarHBondContact O-N 2.81Å; K1034-K1036 VanDerWaalsContact O-N 3.13Å; K1036-A1040 PolarHBondContact O-N 3.07Å; K1036-A1040 VanDerWaalsContact O-N 3.11Å
1037S91.3Very high91.2Very high51 Ų5185.7 Ų85.736%0.35745%0.445SS..Hα-helixtrans-75.5-37.7174.944.30000111.5K1034 V1035 S1039 A1040 H1041K1034-S1037 PolarHBondContact O-N 3.43Å; K1034-S1037 PolarHBondContact O-OG 3.18Å; V1035-S1037 PolarHBondContact O-N 2.94Å; S1037-S1039 PolarHBondContact O-N 3.26Å; S1037-A1040 PolarHBondContact O-N 3.14Å; S1037-H1041 WeakPolarHBondContact O-CB 3.39Å; S1037-H1041 PolarHBondContact O-N 3.41Å
1038R93.1Very high91.2Very high63 Ų6386 Ų8624%0.23845%0.448CS..Hα-helixtrans-57.9-46.8168.9-179-179.9-176.5-935.1112.2F1023 P1024 F1032 K1034 V1035 A1040 H1041 M1042F1023-R1038 HydrophobicContact CB-CB 4.4Å; F1023-R1038 WeakPolarHBondContact O-CD 3.41Å; P1024-R1038 VanDerWaalsContact O-CZ 3.31Å; P1024-R1038 PolarHBondContact O-NE 3.36Å; P1024-R1038 PolarHBondContact O-NH2 2.9Å; F1032-R1038 HydrophobicContact CB-CB 3.99Å; F1032-R1038 HydrophobicContact CD2-CB 3.93Å; F1032-R1038 HydrophobicContact CD2-CG 4.26Å; F1032-R1038 HydrophobicContact CG-CB 4.06Å; K1034-R1038 PolarHBondContact O-N 3.29Å; V1035-R1038 WeakPolarHBondContact O-CB 3.31Å; V1035-R1038 PolarHBondContact O-N 2.9Å; R1038-A1040 PolarHBondContact O-N 3.05Å; R1038-H1041 PolarHBondContact O-N 3.43Å; R1038-M1042 HydrophobicContact CG-CG 4.11Å; R1038-M1042 WeakPolarHBondContact O-CB 3.25Å; R1038-M1042 WeakPolarHBondContact O-CG 3.38Å; R1038-M1042 PolarHBondContact O-N 3.22Å
1039S90.9Very high91.2Very high66 Ų6688.2 Ų88.246%0.46245%0.453SS..Hα-helixtrans-63.5-39179.1-650000112.4V1035 S1037 K1043V1035-S1039 PolarHBondContact O-N 3.4Å; V1035-S1039 PolarHBondContact O-OG 3.46Å; S1037-S1039 PolarHBondContact O-N 3.26Å; S1039-K1043 PolarHBondContact O-N 2.88Å
1040A93.4Very high91.4Very high62 Ų6293.8 Ų93.851%0.51246%0.463SS..Hα-helixtrans-62.9-47.2173.600000111.5K1036 S1037 R1038 K1043 S1044K1036-A1040 PolarHBondContact O-N 3.07Å; K1036-A1040 VanDerWaalsContact O-N 3.11Å; S1037-A1040 PolarHBondContact O-N 3.14Å; R1038-A1040 PolarHBondContact O-N 3.05Å; A1040-K1043 VanDerWaalsContact O-CB 3.3Å; A1040-K1043 WeakPolarHBondContact O-CB 3.45Å; A1040-K1043 PolarHBondContact O-N 2.93Å; A1040-K1043 VanDerWaalsContact O-N 3.17Å; A1040-S1044 PolarHBondContact O-N 3.44Å
1041H94.2Very high91.4Very high27 Ų2791.3 Ų91.313%0.12546%0.457CS..Hα-helixtrans-65.3-37.3177.7166.663.5000113.5C1025 C1028 F1032 S1037 R1038 K1043 S1044 H1045C1025-H1041 VanDerWaalsContact SG-CD2 3.59Å; C1025-H1041 PolarHBondContact SG-NE2 2.94Å; C1028-H1041 VanDerWaalsContact SG-CE1 3.53Å; C1028-H1041 PolarHBondContact SG-NE2 3.42Å; F1032-H1041 HydrophobicContact CE1-CB 4.05Å; F1032-H1041 HydrophobicContact CE2-CB 4.09Å; F1032-H1041 AromaticContact CE2-CD2 3.22Å; F1032-H1041 WeakPolarHBondContact CE2-CD2 3.45Å; F1032-H1041 AromaticContact CE2-CG 3.76Å; F1032-H1041 AromaticContact CE2-NE2 3.93Å; F1032-H1041 HydrophobicContact CZ-CB 3.55Å; F1032-H1041 AromaticContact CZ-CD2 3.32Å; F1032-H1041 WeakPolarHBondContact CZ-CD2 3.46Å; F1032-H1041 AromaticContact CZ-CG 3.35Å; S1037-H1041 WeakPolarHBondContact O-CB 3.39Å; S1037-H1041 PolarHBondContact O-N 3.41Å; R1038-H1041 PolarHBondContact O-N 3.43Å; H1041-K1043 PolarHBondContact O-N 3.34Å; H1041-S1044 VanDerWaalsContact O-CB 3.31Å; H1041-S1044 WeakPolarHBondContact O-CB 3.49Å; H1041-S1044 PolarHBondContact O-N 3.02Å; H1041-S1044 VanDerWaalsContact O-N 3.09Å; H1041-H1045 AromaticContact CE1-CD2 3.59Å; H1041-H1045 AromaticContact CE1-NE2 3.26Å; H1041-H1045 PolarHBondContact CE1-NE2 3.31Å; H1041-H1045 VanDerWaalsContact CE1-NE2 3.26Å; H1041-H1045 AromaticContact NE2-CD2 3.61Å; H1041-H1045 AromaticContact NE2-NE2 3.36Å; H1041-H1045 PolarHBondContact NE2-NE2 2.88Å; H1041-H1045 PolarHBondContact O-N 3.39Å
1042M93.9Very high91.2Very high45 Ų4590.2 Ų90.222%0.22246%0.455CS..Hα-helixtrans-65.4-28.1174.4-68-9953.400112C1025 K1027 R1038 H1045 A1046C1025-M1042 WeakPolarHBondContact SG-CE 3.49Å; K1027-M1042 HydrophobicContact CB-CE 3.84Å; K1027-M1042 HydrophobicContact CG-CE 3.71Å; R1038-M1042 HydrophobicContact CG-CG 4.11Å; R1038-M1042 WeakPolarHBondContact O-CB 3.25Å; R1038-M1042 WeakPolarHBondContact O-CG 3.38Å; R1038-M1042 PolarHBondContact O-N 3.22Å; M1042-H1045 HydrophobicContact CE-CB 4.23Å; M1042-H1045 PolarHBondContact O-N 3.1Å; M1042-A1046 PolarHBondContact O-N 3.04Å
1043K92.6Very high91.1Very high159 Ų15991.1 Ų91.169%0.69147%0.47SS*.Hα-helixtrans-67.2-35.8171.2-162.6-178.3-179.3-172.80112S1039 A1040 H1041 H1045 A1046 E1047S1039-K1043 PolarHBondContact O-N 2.88Å; A1040-K1043 VanDerWaalsContact O-CB 3.3Å; A1040-K1043 WeakPolarHBondContact O-CB 3.45Å; A1040-K1043 PolarHBondContact O-N 2.93Å; A1040-K1043 VanDerWaalsContact O-N 3.17Å; H1041-K1043 PolarHBondContact O-N 3.34Å; K1043-H1045 VanDerWaalsContact C-N 3.33Å; K1043-H1045 PolarHBondContact O-N 2.88Å; K1043-A1046 PolarHBondContact O-N 2.9Å; K1043-E1047 PolarHBondContact O-N 2.96Å
1044S91.7Very high91Very high59 Ų5986.7 Ų86.741%0.41347%0.465SS..Hα-helixtrans-62.6-38.6173.9-510000112.4A1040 H1041 E1047 Q1048A1040-S1044 PolarHBondContact O-N 3.44Å; H1041-S1044 VanDerWaalsContact O-CB 3.31Å; H1041-S1044 WeakPolarHBondContact O-CB 3.49Å; H1041-S1044 PolarHBondContact O-N 3.02Å; H1041-S1044 VanDerWaalsContact O-N 3.09Å; S1044-E1047 PolarHBondContact O-N 2.98Å; S1044-Q1048 WeakPolarHBondContact O-CG 3.45Å; S1044-Q1048 PolarHBondContact O-N 2.97Å
1045H92.4Very high90.9Very high28 Ų2885.1 Ų85.113%0.1346%0.464CS..Hα-helixtrans-62.9-44.7173.5-82.5-68.4000112.3K1027 C1028 H1041 M1042 K1043 E1047 Q1048 E1049K1027-H1045 HydrophobicContact CB-CB 4.31Å; K1027-H1045 HydrophobicContact CG-CB 4.4Å; C1028-H1045 PolarHBondContact SG-NE2 2.96Å; H1041-H1045 AromaticContact CE1-CD2 3.59Å; H1041-H1045 AromaticContact CE1-NE2 3.26Å; H1041-H1045 PolarHBondContact CE1-NE2 3.31Å; H1041-H1045 VanDerWaalsContact CE1-NE2 3.26Å; H1041-H1045 AromaticContact NE2-CD2 3.61Å; H1041-H1045 AromaticContact NE2-NE2 3.36Å; H1041-H1045 PolarHBondContact NE2-NE2 2.88Å; H1041-H1045 PolarHBondContact O-N 3.39Å; M1042-H1045 HydrophobicContact CE-CB 4.23Å; M1042-H1045 PolarHBondContact O-N 3.1Å; K1043-H1045 VanDerWaalsContact C-N 3.33Å; K1043-H1045 PolarHBondContact O-N 2.88Å; H1045-E1047 PolarHBondContact O-N 3.45Å; H1045-Q1048 PolarHBondContact O-N 3.15Å; H1045-E1049 VanDerWaalsContact O-CB 3.27Å; H1045-E1049 WeakPolarHBondContact O-CB 3.4Å; H1045-E1049 PolarHBondContact O-N 3.31Å
1046A90.4Very high90.8Very high59 Ų5989.8 Ų89.849%0.48847%0.473SS..Hα-helixtrans-61.9-32.4175.900000112.7M1042 K1043 K1050M1042-A1046 PolarHBondContact O-N 3.04Å; K1043-A1046 PolarHBondContact O-N 2.9Å; A1046-K1050 WeakPolarHBondContact O-CB 3.4Å; A1046-K1050 PolarHBondContact O-N 2.87Å
1047E89.9Confident90.7Very high106 Ų10686.8 Ų86.850%0.49547%0.465SS..Hα-helixtrans-72.6-41174.7-162.2-169.6127.600112.6K1043 S1044 H1045 K1050 K1051K1043-E1047 PolarHBondContact O-N 2.96Å; S1044-E1047 PolarHBondContact O-N 2.98Å; H1045-E1047 PolarHBondContact O-N 3.45Å; E1047-K1050 PolarHBondContact O-N 3.28Å; E1047-K1051 HydrophobicContact CG-CD 4.5Å; E1047-K1051 WeakPolarHBondContact O-CB 3.47Å; E1047-K1051 WeakPolarHBondContact O-CG 3.44Å; E1047-K1051 PolarHBondContact O-N 2.96Å; E1047-K1051 WeakPolarHBondContact OE1-CE 3.47Å; E1047-K1051 IonicContact OE1-NZ 2.82Å; E1047-K1051 PolarHBondContact OE1-NZ 2.79Å
1048Q88.3Confident90.6Very high122 Ų12291.2 Ų91.257%0.5748%0.478SS*.Hα-helixtrans-63.1-43173.2-74.5176.4-36.600111.7S1044 H1045 K1051 A1052S1044-Q1048 WeakPolarHBondContact O-CG 3.45Å; S1044-Q1048 PolarHBondContact O-N 2.97Å; H1045-Q1048 PolarHBondContact O-N 3.15Å; Q1048-K1051 PolarHBondContact O-N 3.07Å; Q1048-A1052 WeakPolarHBondContact O-CB 3.33Å; Q1048-A1052 PolarHBondContact O-N 3.33Å
1049E90.5Very high90.4Very high104 Ų10494.5 Ų94.549%0.48650%0.495SS..Hα-helixtrans-64.2-40.6178.1-166.5161-176.800111.2K1027 H1045 A1052 A1053K1027-E1049 WeakPolarHBondContact CE-OE2 3.48Å; K1027-E1049 IonicContact NZ-OE1 3.93Å; K1027-E1049 PolarHBondContact NZ-OE1 3.05Å; K1027-E1049 IonicContact NZ-OE2 2.76Å; K1027-E1049 PolarHBondContact NZ-OE2 2.87Å; H1045-E1049 VanDerWaalsContact O-CB 3.27Å; H1045-E1049 WeakPolarHBondContact O-CB 3.4Å; H1045-E1049 PolarHBondContact O-N 3.31Å; E1049-A1052 PolarHBondContact O-N 2.72Å; E1049-A1053 WeakPolarHBondContact O-CB 3.37Å; E1049-A1053 PolarHBondContact O-N 3.27Å
1050K91.8Very high90.2Very high166 Ų16699 Ų9972%0.72251%0.507SS*.Hα-helixtrans-64.4-38.2171.1-173.9170.9-178174.50113A1046 E1047 A1054A1046-K1050 WeakPolarHBondContact O-CB 3.4Å; A1046-K1050 PolarHBondContact O-N 2.87Å; E1047-K1050 PolarHBondContact O-N 3.28Å; K1050-A1054 PolarHBondContact O-N 3.37Å; K1050-A1054 VanDerWaalsContact O-N 3.08Å
1051K90.8Very high89.9Confident119 Ų119101.8 Ų101.852%0.51751%0.509SS..Hα-helixtrans-68-41.7176-77.3167.6170.4171.30111.9E1047 Q1048 A1054 L1055E1047-K1051 HydrophobicContact CG-CD 4.5Å; E1047-K1051 WeakPolarHBondContact O-CB 3.47Å; E1047-K1051 WeakPolarHBondContact O-CG 3.44Å; E1047-K1051 PolarHBondContact O-N 2.96Å; E1047-K1051 WeakPolarHBondContact OE1-CE 3.47Å; E1047-K1051 IonicContact OE1-NZ 2.82Å; E1047-K1051 PolarHBondContact OE1-NZ 2.79Å; Q1048-K1051 PolarHBondContact O-N 3.07Å; K1051-A1054 PolarHBondContact O-N 2.87Å; K1051-L1055 WeakPolarHBondContact O-CG 3.3Å; K1051-L1055 PolarHBondContact O-N 3.35Å
1052A87.8Confident89.4Confident50 Ų50103.2 Ų103.241%0.41353%0.526SS..Hα-helixtrans-65-38.9174.900000112.4Q1048 E1049 L1055 R1056Q1048-A1052 WeakPolarHBondContact O-CB 3.33Å; Q1048-A1052 PolarHBondContact O-N 3.33Å; E1049-A1052 PolarHBondContact O-N 2.72Å; A1052-L1055 PolarHBondContact O-N 2.88Å; A1052-R1056 PolarHBondContact O-N 2.86Å
1053A88.8Confident88.9Confident60 Ų60103.4 Ų103.450%0.49653%0.534SS..Hα-helixtrans-63.2-42.4173.600000112.3E1049 R1056 L1057E1049-A1053 WeakPolarHBondContact O-CB 3.37Å; E1049-A1053 PolarHBondContact O-N 3.27Å; A1053-R1056 PolarHBondContact O-N 3.21Å; A1053-L1057 PolarHBondContact O-N 2.98Å
1054A89.3Confident88.5Confident62 Ų6298.5 Ų98.551%0.51252%0.523SS..Hα-helixtrans-65.4-39.1175.800000112.7K1050 K1051 L1057 K1058K1050-A1054 PolarHBondContact O-N 3.37Å; K1050-A1054 VanDerWaalsContact O-N 3.08Å; K1051-A1054 PolarHBondContact O-N 2.87Å; A1054-L1057 PolarHBondContact O-N 3.39Å; A1054-K1058 PolarHBondContact O-N 3.5Å; A1054-K1058 VanDerWaalsContact O-N 3.1Å
1055L88.3Confident88Confident119 Ų119100.3 Ų100.362%0.62353%0.532SS*.Hα-helixtrans-63.3-46.6174.3-74.7170.9000111.7K1051 A1052 L1057 K1058 E1059K1051-L1055 WeakPolarHBondContact O-CG 3.3Å; K1051-L1055 PolarHBondContact O-N 3.35Å; A1052-L1055 PolarHBondContact O-N 2.88Å; L1055-L1057 PolarHBondContact O-N 3.07Å; L1055-K1058 PolarHBondContact O-N 3.06Å; L1055-E1059 VanDerWaalsContact O-CB 3.3Å; L1055-E1059 WeakPolarHBondContact O-CB 3.43Å; L1055-E1059 PolarHBondContact O-N 2.81Å
1056R87.6Confident87.4Confident178 Ų178104.6 Ų104.667%0.67255%0.552SS**Hα-helixtrans-62.5-28.2175.9-79-179.4169.4179.6-3.7113.9A1052 A1053 K1060A1052-R1056 PolarHBondContact O-N 2.86Å; A1053-R1056 PolarHBondContact O-N 3.21Å; R1056-K1060 VanDerWaalsContact O-CG 3.31Å; R1056-K1060 WeakPolarHBondContact O-CG 3.48Å; R1056-K1060 PolarHBondContact O-N 3.3Å; R1056-K1060 VanDerWaalsContact O-N 3.14Å
1057L87.8Confident86.6Confident118 Ų118108 Ų10862%0.61856%0.558SS**Hα-helixtrans-71.1-47.9173.8-162.7156.8000110.2A1053 A1054 L1055 E1059 K1060 E1061A1053-L1057 PolarHBondContact O-N 2.98Å; A1054-L1057 PolarHBondContact O-N 3.39Å; L1055-L1057 PolarHBondContact O-N 3.07Å; L1057-E1059 VanDerWaalsContact C-N 3.31Å; L1057-E1059 PolarHBondContact O-N 3.38Å; L1057-K1060 PolarHBondContact O-N 2.7Å; L1057-E1061 WeakPolarHBondContact O-CB 3.45Å; L1057-E1061 PolarHBondContact O-N 2.78Å
1058K88.7Confident85.9Confident144 Ų144108.4 Ų108.463%0.62656%0.559SS**Hα-helixtrans-63.7-34.5175.4-168.5-175.1177.8-168.30113A1054 L1055 E1061 A1062A1054-K1058 PolarHBondContact O-N 3.5Å; A1054-K1058 VanDerWaalsContact O-N 3.1Å; L1055-K1058 PolarHBondContact O-N 3.06Å; K1058-E1061 PolarHBondContact O-N 2.92Å; K1058-A1062 WeakPolarHBondContact O-CB 3.32Å; K1058-A1062 PolarHBondContact O-N 2.75Å
1059E89.4Confident85.2Confident131 Ų131104.6 Ų104.661%0.61255%0.549SS*.Hα-helixtrans-66-42.3175.5-176179-160.400111.3L1055 L1057 A1062 A1063L1055-E1059 VanDerWaalsContact O-CB 3.3Å; L1055-E1059 WeakPolarHBondContact O-CB 3.43Å; L1055-E1059 PolarHBondContact O-N 2.81Å; L1057-E1059 VanDerWaalsContact C-N 3.31Å; L1057-E1059 PolarHBondContact O-N 3.38Å; E1059-A1062 PolarHBondContact O-N 2.97Å; E1059-A1063 VanDerWaalsContact O-CB 3.31Å; E1059-A1063 WeakPolarHBondContact O-CB 3.5Å; E1059-A1063 PolarHBondContact O-N 3.43Å
1060K87.6Confident84.4Confident160 Ų160103.6 Ų103.670%0.69655%0.547SS*.Hα-helixtrans-66-39.4172.1-75.7179.8173.8-160.70112.9R1056 L1057 A1063 A1064R1056-K1060 VanDerWaalsContact O-CG 3.31Å; R1056-K1060 WeakPolarHBondContact O-CG 3.48Å; R1056-K1060 PolarHBondContact O-N 3.3Å; R1056-K1060 VanDerWaalsContact O-N 3.14Å; L1057-K1060 PolarHBondContact O-N 2.7Å; K1060-A1063 PolarHBondContact O-N 3.49Å; K1060-A1064 WeakPolarHBondContact O-CB 3.37Å; K1060-A1064 PolarHBondContact O-N 3.29Å
1061E86.3Confident83.1Confident121 Ų121104.9 Ų104.957%0.56555%0.547SS*.Hα-helixtrans-60.9-47.4174.5-171.9-178.5179.200110.8L1057 K1058 A1064 V1065L1057-E1061 WeakPolarHBondContact O-CB 3.45Å; L1057-E1061 PolarHBondContact O-N 2.78Å; K1058-E1061 PolarHBondContact O-N 2.92Å; E1061-A1064 PolarHBondContact O-N 3.18Å; E1061-V1065 WeakPolarHBondContact O-CG2 3.36Å; E1061-V1065 PolarHBondContact O-N 3.28Å
1062A84.3Confident81.8Confident58 Ų58104.7 Ų104.748%0.47955%0.548SS..Hα-helixtrans-65.2-39.2175.300000113K1058 E1059 V1065 H1066K1058-A1062 WeakPolarHBondContact O-CB 3.32Å; K1058-A1062 PolarHBondContact O-N 2.75Å; E1059-A1062 PolarHBondContact O-N 2.97Å; A1062-V1065 PolarHBondContact O-N 3.37Å; A1062-H1066 WeakPolarHBondContact O-CB 3.33Å; A1062-H1066 PolarHBondContact O-N 3.25Å
1063A83.6Confident80.6Confident48 Ų48109.1 Ų109.140%0.39756%0.56SS.*Hα-helixtrans-66.8-36.517600000112.4E1059 K1060 H1066 Q1067E1059-A1063 VanDerWaalsContact O-CB 3.31Å; E1059-A1063 WeakPolarHBondContact O-CB 3.5Å; E1059-A1063 PolarHBondContact O-N 3.43Å; K1060-A1063 PolarHBondContact O-N 3.49Å; A1063-H1066 PolarHBondContact O-N 3.42Å; A1063-Q1067 WeakPolarHBondContact O-CB 3.49Å; A1063-Q1067 WeakPolarHBondContact O-CG 3.42Å; A1063-Q1067 PolarHBondContact O-N 3.32Å
1064A82.8Confident79.2Confident56 Ų56110.4 Ų110.446%0.46357%0.566SS.*Hα-helixtrans-64.9-46173.600000111.4K1060 E1061 H1066 Q1067 Q1068K1060-A1064 WeakPolarHBondContact O-CB 3.37Å; K1060-A1064 PolarHBondContact O-N 3.29Å; E1061-A1064 PolarHBondContact O-N 3.18Å; A1064-H1066 VanDerWaalsContact C-N 3.33Å; A1064-H1066 PolarHBondContact O-N 3.15Å; A1064-Q1067 PolarHBondContact O-N 2.9Å; A1064-Q1068 WeakPolarHBondContact O-CB 3.33Å; A1064-Q1068 PolarHBondContact O-N 3.43Å
1065V81.5Confident77.6Confident97 Ų97110 Ų11059%0.58857%0.567SS**Hα-helixtrans-60.6-40.9174.71720000111.5E1061 A1062 Q1068 A1069E1061-V1065 WeakPolarHBondContact O-CG2 3.36Å; E1061-V1065 PolarHBondContact O-N 3.28Å; A1062-V1065 PolarHBondContact O-N 3.37Å; V1065-Q1068 PolarHBondContact O-N 3.32Å; V1065-A1069 PolarHBondContact O-N 2.79Å
1066H79.3Confident75.8Confident118 Ų118112.2 Ų112.255%0.54657%0.574SS.*Hα-helixtrans-68.7-38.2177.2-173.935.1000112.8A1062 A1063 A1064 Q1068 A1069 L1070A1062-H1066 WeakPolarHBondContact O-CB 3.33Å; A1062-H1066 PolarHBondContact O-N 3.25Å; A1063-H1066 PolarHBondContact O-N 3.42Å; A1064-H1066 VanDerWaalsContact C-N 3.33Å; A1064-H1066 PolarHBondContact O-N 3.15Å; H1066-Q1068 VanDerWaalsContact C-N 3.3Å; H1066-Q1068 PolarHBondContact O-N 3.42Å; H1066-A1069 PolarHBondContact O-N 2.62Å; H1066-L1070 WeakPolarHBondContact O-CB 3.33Å; H1066-L1070 WeakPolarHBondContact O-CG 3.19Å; H1066-L1070 PolarHBondContact O-N 2.91Å
1067Q75.2Confident74.2Confident131 Ų131107.2 Ų107.261%0.61258%0.578SS**Hα-helixtrans-68.6-27.6172.9-75.6-176.9-0.100113.1A1063 A1064 R1071A1063-Q1067 WeakPolarHBondContact O-CB 3.49Å; A1063-Q1067 WeakPolarHBondContact O-CG 3.42Å; A1063-Q1067 PolarHBondContact O-N 3.32Å; A1064-Q1067 PolarHBondContact O-N 2.9Å; Q1067-R1071 WeakPolarHBondContact O-CG 3.34Å; Q1067-R1071 PolarHBondContact O-N 3.38Å
1068Q74.4Confident72.5Confident114 Ų114110.4 Ų110.453%0.53359%0.59SS.*Hα-helixtrans-71.6-48.4171.7-179170.6-13.100110.8A1064 V1065 H1066 L1070 R1071 E1072A1064-Q1068 WeakPolarHBondContact O-CB 3.33Å; A1064-Q1068 PolarHBondContact O-N 3.43Å; V1065-Q1068 PolarHBondContact O-N 3.32Å; H1066-Q1068 VanDerWaalsContact C-N 3.3Å; H1066-Q1068 PolarHBondContact O-N 3.42Å; Q1068-L1070 VanDerWaalsContact C-N 3.35Å; Q1068-L1070 PolarHBondContact O-N 3.09Å; Q1068-R1071 WeakPolarHBondContact O-CA 3.13Å; Q1068-R1071 WeakPolarHBondContact O-CB 3.06Å; Q1068-R1071 PolarHBondContact O-N 3.46Å; Q1068-E1072 VanDerWaalsContact CG-OE1 3.25Å; Q1068-E1072 WeakPolarHBondContact CG-OE1 3.48Å; Q1068-E1072 PolarHBondContact NE2-OE1 3.35Å; Q1068-E1072 WeakPolarHBondContact O-CG 3.27Å; Q1068-E1072 PolarHBondContact O-N 3.48Å
1069A73.6Confident70.7Confident43 Ų43113.2 Ų113.236%0.35560%0.602SS.*Hα-helixtrans-58.2-42.9175.800000112.7V1065 H1066 R1071 E1072 E1073V1065-A1069 PolarHBondContact O-N 2.79Å; H1066-A1069 PolarHBondContact O-N 2.62Å; A1069-R1071 VanDerWaalsContact C-N 3.26Å; A1069-R1071 PolarHBondContact O-N 3.49Å; A1069-E1072 PolarHBondContact O-N 2.89Å; A1069-E1073 WeakPolarHBondContact O-CB 3.41Å; A1069-E1073 PolarHBondContact O-N 3.14Å
1070L72.8Confident68.5Low83 Ų83114.2 Ų114.244%0.43565%0.647SS.*Hα-helixtrans-65.7-26175.7-73.6170.3000113.3H1066 Q1068 S1074H1066-L1070 WeakPolarHBondContact O-CB 3.33Å; H1066-L1070 WeakPolarHBondContact O-CG 3.19Å; H1066-L1070 PolarHBondContact O-N 2.91Å; Q1068-L1070 VanDerWaalsContact C-N 3.35Å; Q1068-L1070 PolarHBondContact O-N 3.09Å; L1070-S1074 WeakPolarHBondContact O-CB 3.09Å; L1070-S1074 PolarHBondContact O-N 3.5Å; L1070-S1074 VanDerWaalsContact O-N 3.15Å; L1070-S1074 PolarHBondContact O-OG 3.36Å
1071R65.9Low67.5Low193 Ų193111.9 Ų111.973%0.72865%0.645SS**Hα-helixtrans-75.3-40.9172.4-79.8170.5169.6-91-2.8111.5Q1067 Q1068 A1069 S1074 G1075Q1067-R1071 WeakPolarHBondContact O-CG 3.34Å; Q1067-R1071 PolarHBondContact O-N 3.38Å; Q1068-R1071 WeakPolarHBondContact O-CA 3.13Å; Q1068-R1071 WeakPolarHBondContact O-CB 3.06Å; Q1068-R1071 PolarHBondContact O-N 3.46Å; A1069-R1071 VanDerWaalsContact C-N 3.26Å; A1069-R1071 PolarHBondContact O-N 3.49Å; R1071-S1074 WeakPolarHBondContact CA-OG 3.31Å; R1071-S1074 PolarHBondContact O-N 2.95Å; R1071-S1074 PolarHBondContact O-OG 3.35Å; R1071-G1075 PolarHBondContact O-N 3.36Å
1072E64.2Low66.5Low114 Ų114111.4 Ų111.453%0.53365%0.649SS.*Hα-helixtrans-62.8-48.5175.9-70.3162.1-174.400110.3Q1068 A1069 S1074 G1075Q1068-E1072 VanDerWaalsContact CG-OE1 3.25Å; Q1068-E1072 WeakPolarHBondContact CG-OE1 3.48Å; Q1068-E1072 PolarHBondContact NE2-OE1 3.35Å; Q1068-E1072 WeakPolarHBondContact O-CG 3.27Å; Q1068-E1072 PolarHBondContact O-N 3.48Å; A1069-E1072 PolarHBondContact O-N 2.89Å; E1072-S1074 VanDerWaalsContact C-N 3.35Å; E1072-S1074 PolarHBondContact O-N 3.01Å; E1072-G1075 PolarHBondContact O-N 3.44Å
1073E62Low65.5Low143 Ų143114.4 Ų114.467%0.66866%0.658SS**Hα-helixtrans-62.3-36.8175.9-166.4174.4-158.500112.6A1069 G1075A1069-E1073 WeakPolarHBondContact O-CB 3.41Å; A1069-E1073 PolarHBondContact O-N 3.14Å; E1073-G1075 PolarHBondContact O-N 3.46Å
1074S59.4Low64.5Low88 Ų88118.3 Ų118.362%0.61567%0.673SS**Hα-helixtrans-70-15.2173.1720000114.4L1070 R1071 E1072L1070-S1074 WeakPolarHBondContact O-CB 3.09Å; L1070-S1074 PolarHBondContact O-N 3.5Å; L1070-S1074 VanDerWaalsContact O-N 3.15Å; L1070-S1074 PolarHBondContact O-OG 3.36Å; R1071-S1074 WeakPolarHBondContact CA-OG 3.31Å; R1071-S1074 PolarHBondContact O-N 2.95Å; R1071-S1074 PolarHBondContact O-OG 3.35Å; E1072-S1074 VanDerWaalsContact C-N 3.35Å; E1072-S1074 PolarHBondContact O-N 3.01Å
1075G55.2Low63.3Low52 Ų52122.2 Ų122.254%0.53669%0.687SS.*Hα-helixtrans-86.3-20.2-178.100000114.6R1071 E1072 E1073 G1077R1071-G1075 PolarHBondContact O-N 3.36Å; E1072-G1075 PolarHBondContact O-N 3.44Å; E1073-G1075 PolarHBondContact O-N 3.46Å; G1075-G1077 VanDerWaalsContact C-N 3.34Å
1076E51.5Low62.1Low166 Ų166123.9 Ų123.978%0.77669%0.693SS**G310 helixtrans-82.8-12.4-179.8-60.6-164.3128.700112.9E1078E1076-E1078 PolarHBondContact O-N 3.49Å
1077G53.2Low60.9Low73 Ų73124.3 Ų124.375%0.75370%0.704SS**G310 helixtrans-76.5-8.8-178.700000116.5G1075G1075-G1077 VanDerWaalsContact C-N 3.34Å
1078E52.6Low59.8Low186 Ų186123.8 Ų123.887%0.86971%0.711SS**G310 helixtrans-110.124.7-176.8-146.8-178133.200113.3E1076E1076-E1078 PolarHBondContact O-N 3.49Å
1079K51.3Low58.6Low203 Ų203124.6 Ų124.688%0.88373%0.726SS**  trans-140.967.1169.9-72.1-167.7177178.90112.5
1080G41.2Very low57.2Low151 Ų151132 Ų132100%1.55776%0.759SS**  trans-134.30167.700000110.6

Retrieved 1,080 of 1,080 residues in 290 ms (Link to these results)