A0A3B3VUF4_9TELE Loading...

Sp9 transcription factor

Transcription factor which plays a key role in limb development. Positively regulates FGF8 expression in the apical ectodermal ridge (AER) and contributes to limb outgrowth in embryos.

AlphaFold DB , UniProt , Accession A0A3B3VUF4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 439 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M39.2Very low39.9Very low238 Ų238146.6 Ų146.6100%1.17281%0.814SS**  093.70-58.7166.7-17500104.9
2A36.8Very low39.4Very low94 Ų94150.3 Ų150.378%0.77782%0.815SS**  61.2121.171.400000110.4
3T38.9Very low38.9Very low126 Ų126143.2 Ų143.277%0.77380%0.799SS**  cis-158.4132.96.121.70000107
4S43.7Very low39Very low109 Ų109143.6 Ų143.676%0.76281%0.807SS**  54.1105.182.3-54.50000116.1
5I44.6Very low39.6Very low163 Ų163143 Ų14384%0.83681%0.808SS**  trans-146.6115.6140-59.8-169.5000109.5
6L40.5Very low40.3Very low167 Ų167142.2 Ų142.287%0.87481%0.81SS**  trans18.5141.2144.1-49.9170.2000119.5
7G35.9Very low40.2Very low68 Ų68143.8 Ų143.870%0.70182%0.815SS**  cis105.8138.138.100000109.1
8E33.4Very low40Very low198 Ų198140.5 Ų140.593%0.92581%0.809SS**  cis-150.1168.810.2-68.2-179.98900112.6
9E38.3Very low39.9Very low155 Ų155142.3 Ų142.372%0.72481%0.811SS**  trans-74.7-174.4165.9-84.5-84.6138.700111.1
10P48.8Very low39.9Very low107 Ų107143.3 Ų143.370%0.69581%0.813SS**  cis-153.81542541.3-17.5000122.2
11R38.8Very low39.6Very low188 Ų188140.6 Ų140.671%0.70981%0.808SS**  51.9157126.8-54.5175.3-180-172.9-1.1126
12F34Very low39.8Very low190 Ų190133.8 Ų133.883%0.83379%0.79SS**  trans75.7141.5160.5-55.4-72.8000116.9
13G32.9Very low39.8Very low58 Ų58136.3 Ų136.360%0.59880%0.796SS**  cis160.7160.7-4.200000112.3
14T40.4Very low39.7Very low149 Ų149135.9 Ų135.991%0.91480%0.797SS**  trans69130.6167.863.40000120.1
15T48.3Very low39.4Very low135 Ų135138.1 Ų138.183%0.82880%0.8SS**  trans-83.6163.3158.448.20000110.1
16P49.6Very low39.3Very low130 Ų130139 Ų13984%0.84480%0.798SS**  -148.8-179.5115.637.4-20.4000115.9
17L39.1Very low39.1Very low169 Ų169139.6 Ų139.689%0.88580%0.8SS**  trans-93.6155.4-176.4-109.4141.8000113.7
18A36.4Very low38.9Very low85 Ų85139.1 Ų139.170%0.70280%0.795SS**  trans85.3152.4146.600000122.3
19M37.8Very low38.9Very low175 Ų175137.3 Ų137.386%0.86279%0.792SS**  trans78.6147.7168.8-51.6-149.6-78.300116.4
20L39.9Very low38.8Very low162 Ų162136.7 Ų136.785%0.84880%0.799SS**  cis-147.6-177.24.3-155.467.8000111.2
21A35.1Very low38.4Very low86 Ų86137.1 Ų137.171%0.71181%0.805SS**  trans-87.7159.3-172.400000116.8
22A42.6Very low39.1Very low96 Ų96133.7 Ų133.779%0.79381%0.807SS**  trans25.5123.4148.100000121.8
23T37.8Very low38.9Very low146 Ų146131.9 Ų131.990%0.89681%0.805SS**  trans-143145.9146.348.50000111
24C35.1Very low38.9Very low117 Ų117134.4 Ų134.479%0.79181%0.809SS**  trans-123.8138.5174.7-60.70000110.8
25N38.2Very low38.5Very low156 Ų156133.5 Ų133.583%0.83480%0.803SS**  trans172.2165.9146.6-95.8-38.3000109.9
26K43.4Very low38Very low181 Ų181135 Ų13579%0.78781%0.805SS**  cis171.7116.5-42.1171.8178.8-179-178.70108.1
27I34.6Very low38Very low180 Ų180134.5 Ų134.592%0.92380%0.802SS**  trans-151.1136.2162.4-49.5178.5000106.4
28G32.6Very low37.5Very low58 Ų58133.5 Ų133.560%0.59880%0.798SS**  cis-175.3157.9-700000111.2
29N33.3Very low37.4Very low161 Ų161134.4 Ų134.486%0.86180%0.799SS**  trans30.6122.5160.6-55.3-5.8000119.4
30T36.7Very low37.1Very low141 Ų141131.7 Ų131.787%0.86580%0.797SS**  -152.8158.577.6340000114.3
31S39.5Very low36.7Very low117 Ų117128 Ų12882%0.81879%0.79SS**  trans-151.4155171.5-51.10000106.9
32P53.1Low36.4Very low116 Ų116133.5 Ų133.575%0.75380%0.799SS**  -148.9-174.37133.7-10.2000113.4
33L31.6Very low35.9Very low152 Ų152133.1 Ų133.180%0.79679%0.79SS**  cis-150.5163.4-18.4-135.481000108.7
34T32.5Very low35.8Very low111 Ų111136 Ų13668%0.68179%0.79SS**  trans-4.9139.9153.4-7.80000118.8
35T32.4Very low35.6Very low129 Ų129134.5 Ų134.579%0.79179%0.794SS**  -169.4148.764.445.30000114.4
36L36.9Very low35.3Very low167 Ų167130.3 Ų130.387%0.87479%0.789SS**  trans-85.9153.9159.1-74.6170.4000109.5
37P48.5Very low34.7Very low119 Ų119131.9 Ų131.977%0.77380%0.796SS**  -148.7176.975.639.6-19.1000118.1
38D29Very low34.8Very low148 Ų148132 Ų13279%0.79179%0.792SS**  trans-13147171.7-77.3-56.5000124.5
39S34.5Very low35.3Very low104 Ų104134.2 Ų134.273%0.72780%0.796SS**  trans60.5104.2138.6-63.80000120.6
40S31Very low35.2Very low118 Ų118138.8 Ų138.883%0.82580%0.801SS**  160.3153.4107.456.60000114.4
41A31.9Very low34.8Very low86 Ų86142.3 Ų142.371%0.71181%0.805SS**  trans61.7133.9150.300000123
42F28.9Very low34.3Very low201 Ų201147.6 Ų147.688%0.88281%0.807SS**  trans78.4116.9141.8-98.9-118.2000122.4
43S33.4Very low33.2Very low88 Ų88147.1 Ų147.162%0.61581%0.806SS**  trans97.1114.6134.6-67.80000122.4
44K35.1Very low33.2Very low205 Ų205145.8 Ų145.889%0.89181%0.809SS**  trans79.2117.8134.2-70.1177.8176.8176.30120.4
45G31Very low33.2Very low86 Ų86145.7 Ų145.789%0.88781%0.813SS**  trans95.4123.8155.900000114.2
46G30.4Very low33.2Very low69 Ų69144.6 Ų144.671%0.71181%0.811SS**  cis179.1162.7-600000111.9
47F31.2Very low32.7Very low213 Ų213141.8 Ų141.893%0.93480%0.804SS**  trans70.2129.8173.5-79.1-94.7000119.2
48H37.1Very low31.8Very low184 Ų184144 Ų14485%0.85281%0.809SS**  trans-98.1153.9-170.1-65.9-90.4000113.5
49P43.9Very low32Very low104 Ų104144.8 Ų144.868%0.67581%0.812SS**  trans-87152.9158.935.6-32.1000112.4
50W29.7Very low31.9Very low256 Ų256143.2 Ų143.297%0.9781%0.813SS**  trans63.3135.9156.8-72.342.9000119.3
51K28.1Very low31.9Very low216 Ų216143.4 Ų143.494%0.93981%0.814SS**  trans-147.4131.2161.5-136176.7-172.7-179.90111.7
52R30Very low31.9Very low228 Ų228144.9 Ų144.986%0.8682%0.819SS**  trans-130.2134162178.4-179.1-89.9-100.45.3107.5
53S29.4Very low32Very low105 Ų105143.1 Ų143.173%0.73482%0.818SS**  trans34120.6159.5-53.40000120.5
54S31.3Very low33.1Very low125 Ų125145 Ų14587%0.87483%0.828SS**  -169.2147.1120.246.70000112.5
55S34Very low32.9Very low108 Ų108138.3 Ų138.376%0.75582%0.817SS**  trans-80.4150.1167.944.40000111.9
56S30.8Very low32.7Very low107 Ų107144.3 Ų144.375%0.74882%0.82SS**  171151.1124.2-73.70000113.9
57C28.5Very low32.9Very low107 Ų107146.6 Ų146.672%0.72382%0.82SS**  trans20.9150.9154.764.30000124.3
58N28.3Very low32.8Very low166 Ų166142.6 Ų142.689%0.88881%0.813SS**  trans-142.2142.7144.9-106.8-42.9000110.9
59L34Very low32.4Very low164 Ų164138.8 Ų138.886%0.85981%0.813SS**  trans-84.5170.1162.7-76.470.5000108.1
60G31.1Very low31.8Very low71 Ų71139.4 Ų139.473%0.73282%0.815SS**  cis143.9138-2.200000111.6
61S31.4Very low32Very low122 Ų122131.8 Ų131.885%0.85380%0.801SS**  trans175.1150.9169.848.50000109.3
62S31.5Very low32.2Very low118 Ų118133 Ų13383%0.82580%0.799SS**  cis-158.4160.1-21.944.90000109.7
63L32.2Very low32.2Very low164 Ų164126 Ų12686%0.85979%0.79SS**  trans-65.5-175.2-172.5-69.2166.1000116.4
64P56.5Low32.4Very low126 Ų126126.1 Ų126.182%0.81879%0.791SS**  cis-137.9-178.8-43.736.9-20.2000114
65G29.8Very low32.5Very low65 Ų65127.2 Ų127.267%0.6779%0.793SS**  trans170.2112.5157.400000119.8
66F27.3Very low32.4Very low213 Ų213125.3 Ų125.393%0.93479%0.79SS**  trans70.5162.3155.6-80.9-83.1000122.5
67T33.8Very low32.4Very low116 Ų116128.8 Ų128.871%0.71280%0.799SS**  trans-136.9147.5-145.946.70000113.9
68V30.8Very low32.8Very low130 Ų130129.7 Ų129.779%0.78880%0.801SS**  trans59.4119.5145.8177.30000119.1
69A27.8Very low33.6Very low103 Ų103127.8 Ų127.885%0.85180%0.798SS**  trans-152.1160.413900000110
70T30.9Very low33.5Very low118 Ų118126 Ų12672%0.72479%0.794SS**  trans-132.3142.7-150.9-26.40000114.2
71S34.4Very low33.6Very low95 Ų95128.6 Ų128.666%0.66480%0.801SS**  trans76156.2144.377.20000122.3
72R32.3Very low33.4Very low242 Ų242126.2 Ų126.291%0.91380%0.796SS**  trans77.2152164-62.9178.2174.3-179.6-2.1118
73A30.6Very low33.4Very low81 Ų81126 Ų12667%0.66980%0.801SS**  cis-172.8138.1-30.800000109.6
74S33.8Very low33.2Very low107 Ų107121.8 Ų121.875%0.74880%0.797SS**  trans53.2155.1142-53.20000123.4
75T32.7Very low32.1Very low149 Ų149123.4 Ų123.491%0.91480%0.799SS**  trans74.1143.3176750000115.2
76G30.9Very low32.2Very low67 Ų67126 Ų12669%0.69181%0.807SS**  cis147.5154.3-5.200000112.1
77L32.3Very low32.6Very low181 Ų181119.9 Ų119.995%0.94880%0.796SS**  trans92.9132.1170.4-53.3175.7000119.2
78T35.6Very low32.5Very low125 Ų125123.9 Ų123.977%0.76780%0.804SS**  trans-90.5170.915851.30000109.6
79P45.4Very low32.5Very low127 Ų127123.3 Ų123.383%0.82580%0.804SS**  -143.9-155.299.439-22.2000113.9
80T32.8Very low32.7Very low125 Ų125126.8 Ų126.877%0.76781%0.808SS**  trans-123.2177.7-148.553.50000115.2
81S31.8Very low32.8Very low127 Ų127125.7 Ų125.789%0.88881%0.81SS**  trans77.2148.4171.379.50000116.9
82G28.2Very low32.5Very low71 Ų71127.2 Ų127.273%0.73282%0.821SS**  cis-179.5161.8-5.800000112.3
83A31.2Very low32.5Very low113 Ų113122.3 Ų122.393%0.93482%0.818SS**  trans18.9137.1163.800000122.5
84G29Very low32.6Very low76 Ų76123.3 Ų123.378%0.78482%0.82SS**  trans173.913216100000113.9
85N32.8Very low33.5Very low161 Ų161123.3 Ų123.386%0.86182%0.817SS**  trans-100.8171.2-174.6-71.4-40.8000113.7
86S32.3Very low33.5Very low120 Ų120122.7 Ų122.784%0.83981%0.814SS**  trans86.2152.5145.278.10000120.5
87A35.6Very low33.5Very low84 Ų84124.2 Ų124.269%0.69481%0.814SS**  trans-94.8161.1-167.400000112.7
88F31.2Very low33.5Very low200 Ų200121 Ų12188%0.87781%0.807SS**  trans-140.9130.5157.7-101.4-83000111.1
89C32Very low33.4Very low118 Ų118118.9 Ų118.980%0.79780%0.802SS**  trans-96.4138.2164.1-59.40000108.6
90L31.8Very low32.6Very low176 Ų176122.8 Ų122.892%0.92181%0.806SS**  trans-141.7135.3153-81.1-177.4000109.9
91A31.7Very low32.5Very low94 Ų94122 Ų12278%0.77781%0.806SS**  trans-87158173.500000110.9
92S29.6Very low32.6Very low127 Ų127122 Ų12289%0.88880%0.8SS**  trans-155.2158.4161.8-79.40000110.3
93T31.6Very low32.9Very low139 Ų139126.6 Ų126.685%0.85380%0.803SS**  trans-94.7167.4-153.446.10000116
94S33.4Very low32.9Very low102 Ų102131.4 Ų131.471%0.71380%0.798SS**  trans-62.4178.416957.80000112.5
95P51.9Low33.1Very low107 Ų107132.4 Ų132.470%0.69579%0.793SS**  cis-157.4-162.446.439.8-12.9000119.2
96T31.8Very low33.1Very low137 Ų137128.1 Ų128.184%0.8479%0.787SS**  trans85148.3167.6790000117.1
97S31.4Very low33.1Very low98 Ų98129 Ų12969%0.68578%0.781SS**  cis-155.5161.613.854.20000114.7
98S32.8Very low32.8Very low115 Ų115133.5 Ų133.580%0.80479%0.786SS**  trans62155.7147.961.90000121.8
99A33.3Very low32.9Very low80 Ų80128.8 Ų128.866%0.66178%0.777SS**  cis-173.8174.6-25.400000109.9
100F28Very low32.9Very low209 Ų209130.9 Ų130.992%0.91778%0.781SS**  trans79114.8164.7-77.6-82.5000121.2
101S30.2Very low32.9Very low109 Ų109128.5 Ų128.576%0.76278%0.779SS**  trans-77.1167.3163.2-38.90000112.2
102T35.2Very low33Very low125 Ų125129.2 Ų129.277%0.76778%0.784SS**  -171.6129.3118.5-67.20000110.1
103E34.8Very low33Very low168 Ų168126.3 Ų126.379%0.78578%0.775SS**  trans11.7151.7148.4-50.3-174.8163.100120.4
104Y30.5Very low33Very low215 Ų215125.9 Ų125.984%0.84377%0.772SS**  cis-158173.742.1-170-99.4000113.6
105S33.9Very low32.8Very low97 Ų97126.9 Ų126.968%0.67877%0.774SS**  trans-85.9152.5-156.7-53.50000118.7
106G31.7Very low31.9Very low70 Ų70127.4 Ų127.472%0.72278%0.775SS**  102160.9129.400000118.9
107L32Very low31.9Very low139 Ų139129.7 Ų129.773%0.72878%0.776SS**  cis-168.8140.5-13.2-100-172.9000108.4
108F30.3Very low31.7Very low179 Ų179131.3 Ų131.379%0.78578%0.777SS**  trans55.6167.3153.4-63-47.9000119.2
109S31.8Very low31.7Very low100 Ų100130.6 Ų130.670%0.69977%0.772SS**  cis-160.7166.5-28.6-102.50000109.4
110N33.2Very low31.6Very low162 Ų162130 Ų13087%0.86677%0.774SS**  trans-53.3152.8171.4-58.3-56.6000114.8
111S31.7Very low31.9Very low127 Ų127129 Ų12989%0.88877%0.772SS**  -157.7155.1126.460.60000111.7
112A33Very low32.1Very low108 Ų108129.8 Ų129.889%0.89378%0.778SS**  trans-119.7167.9-17200000112.5
113G30.1Very low32Very low67 Ų67128 Ų12869%0.69178%0.776SS**  trans154.9107.917000000109.9
114V31.1Very low31.8Very low129 Ų129129.2 Ų129.278%0.78278%0.779SS**  85.713850.8174.90000112.8
115T30.7Very low31.9Very low124 Ų124125.2 Ų125.276%0.76177%0.771SS**  trans67.1149.6174.647.90000118.5
116T31.8Very low31.7Very low118 Ų118125.6 Ų125.672%0.72477%0.773SS**  cis-175.2162.8-43.919.70000107.8
117Q32Very low31.7Very low185 Ų185131.9 Ų131.986%0.86478%0.781SS**  trans68.5155.7165-79.8-175.5-14.500116.6
118D28.4Very low31.8Very low131 Ų131130.4 Ų130.470%0.70178%0.777SS**  cis-161.2165.5-13.9174.944.6000109.6
119S32Very low31.8Very low100 Ų100130.4 Ų130.470%0.69978%0.779SS**  trans42.3151153.7610000124.5
120G31.5Very low32Very low68 Ų68131.5 Ų131.570%0.70178%0.782SS**  trans121.379.2132.800000120.8
121Q34.9Very low31.8Very low189 Ų189128.8 Ų128.888%0.88378%0.776SS**  trans51.8147.8134.9-62.7-170-3.600124.7
122S33.3Very low31.7Very low125 Ų125127.1 Ų127.187%0.87477%0.769SS**  trans97.3142.8142.580.40000119.2
123A34.1Very low31.5Very low88 Ų88129.8 Ų129.873%0.72776%0.763SS**  trans-119156.4-169.800000110.9
124F30Very low31.6Very low192 Ų192132.1 Ų132.184%0.84276%0.764SS**  trans-150.2108.5159.1-110.8-82.1000114.2
125I32Very low31.5Very low132 Ų132132 Ų13268%0.67776%0.759SS**  trans48.9107.2138.7-54.8-173.5000120.9
126S29.4Very low31.5Very low105 Ų105136 Ų13673%0.73476%0.761SS**  36.6131.1126.1-45.80000122.7
127K33.2Very low32.1Very low202 Ų202135.7 Ų135.788%0.87876%0.761SS**  -146.9128.1119.4-140.3147.7-173.3170.10113
128V33.3Very low32.3Very low107 Ų107138.5 Ų138.565%0.64876%0.764SS**  trans-101.2144174.6176.80000108.2T130V128-T130 HydrophobicContact CG1-CG2 4.27Å
129H31.3Very low32.6Very low180 Ų180138.6 Ų138.683%0.83377%0.769SS**  trans-140.1117.3149.6-104.8-83.3000110.3
130T34.8Very low32.5Very low123 Ų123137 Ų13776%0.75577%0.768SS**  trans-122.8124.3172.542.40000108.9V128V128-T130 HydrophobicContact CG1-CG2 4.27Å
131S28.6Very low32.6Very low105 Ų105142.1 Ų142.173%0.73478%0.776SS**  trans-170.4119.915537.30000106.5
132A29.3Very low32.5Very low91 Ų91138 Ų13875%0.75277%0.774SS**  63.5134.268.300000110.4
133E30.6Very low32.6Very low165 Ų165140.6 Ų140.677%0.77177%0.772SS**  cis175.5-176.89.7-114.6-90.6138.500105.4
134T31.9Very low32.6Very low116 Ų116142.6 Ų142.671%0.71278%0.778SS**  trans79.6154.6168.478.20000119.7
135L29.1Very low32.8Very low126 Ų126142.4 Ų142.466%0.6677%0.773SS**  cis-160.8129.9-26.9-98.5167.8000110.9
136Y30.3Very low32.8Very low209 Ų209145.4 Ų145.482%0.8278%0.784SS**  trans64.2161.8147.4-74.8-45.6000125.3
137P43.4Very low32.9Very low111 Ų111145.3 Ų145.372%0.72178%0.783SS**  cis-130156.1-19.230.7-11.4000116.5
138R36.6Very low32.9Very low244 Ų244146.3 Ų146.392%0.92178%0.782SS**  trans-101.3114.3171.8177.9-179.6-178.5165.9-0.5110.2
139V33.9Very low32.8Very low133 Ų133152.3 Ų152.381%0.80679%0.794SS**  trans-85122.6172.6-179.20000109.6
140G31.6Very low32.6Very low66 Ų66153.9 Ų153.968%0.6880%0.799SS**  trans-91.2143173.200000111.9
141M33.2Very low32.4Very low175 Ų175153.5 Ų153.586%0.86280%0.801SS**  trans-125.7127.5164.3-86.2178.6166.700109.2
142A32.2Very low32.4Very low103 Ų103152 Ų15285%0.85180%0.802SS**  trans-74.7141-173.900000112
143H35.3Very low32.3Very low180 Ų180157.7 Ų157.783%0.83381%0.81SS**  trans-84123.3170.5-72.8-88.6000110.3Y145H143-Y145 PolarHBondContact O-N 2.9Å; H143-Y145 VanDerWaalsContact O-N 3.11Å
144P35.3Very low32.2Very low129 Ų129157.7 Ų157.784%0.83881%0.81SS**SBendtrans-88.170.2179.835.3-34.7000111.7
145Y32.5Very low32Very low189 Ų189157.7 Ų157.774%0.74182%0.815SS**  trans-159.556.1158.9-157.1-100.2000113H143H143-Y145 PolarHBondContact O-N 2.9Å; H143-Y145 VanDerWaalsContact O-N 3.11Å
146E32.1Very low32.1Very low194 Ų194157 Ų15791%0.90782%0.816SS**  trans-131.586.7160.3-80.7-139.6150.900109.7
147S32.9Very low32.1Very low104 Ų104155.2 Ų155.273%0.72782%0.819SS**  trans-160.352.7172.161.20000112.7
148W32.8Very low31.5Very low223 Ų223155.9 Ų155.985%0.84583%0.826SS**SBendtrans-143151.1148.5-79.5-33000108.9
149Y30Very low31.2Very low232 Ų232147.7 Ų147.791%0.9182%0.818SS**  trans75.869.5-170.4-54.4-75.4000117.3
150K28.9Very low31Very low213 Ų213149 Ų14993%0.92682%0.82SS**  trans-149.894.9142-133.5176-172.5178.30112.6
151S30.4Very low30.9Very low116 Ų116152.5 Ų152.581%0.81183%0.828SS**  trans-133.296.4157.256.50000106.8
152G28.1Very low30.7Very low73 Ų73148.3 Ų148.375%0.75382%0.821SS**  trans-82.2134.6176.300000110.4
153F27.1Very low30.7Very low211 Ų211151.7 Ų151.793%0.92583%0.825SS**  trans-108.8133.8150.3-88.3-83.9000107.8
154H28.8Very low30.4Very low164 Ų164146.9 Ų146.976%0.75982%0.824SS**  trans-115.7120.9-178.7177.6-86.7000108.5
155S27.3Very low30.1Very low116 Ų116145.2 Ų145.281%0.81182%0.821SS**  trans-153.2109.8170.353.20000110.1
156T32Very low30.1Very low111 Ų111141.9 Ų141.968%0.68183%0.825SS**  trans-75.4137.5170.3450000111.3
157I29.5Very low30.1Very low172 Ų172137.7 Ų137.788%0.88282%0.818SS**  trans-167.6143.4146.9-99.9149.2000108.2
158S31.5Very low29.9Very low126 Ų126143.2 Ų143.288%0.88182%0.823SS**  trans-90.4155.2-178.7-520000112.8
159G29.2Very low30Very low72 Ų72144.1 Ų144.174%0.74283%0.826SS**  trans164.1135.6168.700000112.6
160D30.4Very low30Very low160 Ų160140.3 Ų140.386%0.85682%0.821SS**  trans-91.3169.7-164.4-59.3-80000116.6
161V29.4Very low30.3Very low139 Ų139135.8 Ų135.884%0.84281%0.812SS**  trans95122.1152.8-175.90000120.7
162A29.9Very low30.5Very low87 Ų87138.7 Ų138.772%0.71981%0.812SS**  trans77.9115.6148.600000123.6
163N31.6Very low30.7Very low175 Ų175140.2 Ų140.294%0.93681%0.811SS**  trans24.9115.2135.2-76.4-27.1000120.4
164G27.8Very low30.9Very low78 Ų78137.9 Ų137.980%0.80481%0.808SS**  trans-157.8130.7157.600000110.9
165A29.9Very low31.3Very low95 Ų95135.7 Ų135.779%0.78581%0.808SS**  trans-73.4136.6-174.200000113S167A165-S167 PolarHBondContact O-N 3.3Å
166S31.6Very low31.3Very low118 Ų118133.8 Ų133.883%0.82581%0.807SS**  trans-86.678.6178.942.70000112.7W168S166-W168 PolarHBondContact O-N 3.3Å
167S32.8Very low31.2Very low107 Ų107133.7 Ų133.775%0.74881%0.811SS**  trans-85.989.6172.9-62.50000112.4A165A165-S167 PolarHBondContact O-N 3.3Å
168W29.3Very low31.1Very low220 Ų220137.2 Ų137.283%0.83381%0.814SS**  trans-131122.9156.8-63.6-36.4000105.8S166S166-W168 PolarHBondContact O-N 3.3Å
169W34.6Very low31.3Very low241 Ų241137.9 Ų137.991%0.91381%0.807SS**  cis-142.1131.443-4976.3000111.9
170D29.4Very low31.3Very low152 Ų152141.1 Ų141.181%0.81381%0.807SS**  trans-91.9121.9161.8-99.3-55000110
171V36.6Very low31.5Very low119 Ų119139.4 Ų139.472%0.72180%0.802SS**  trans-131.9101.3162.6174.30000107.9S173V171-S173 PolarHBondContact O-N 3.19Å
172H34.1Very low31.6Very low176 Ų176141.7 Ų141.782%0.81580%0.803SS**  trans-63.3127.8163.3-75.2-86000109.5
173S32.3Very low31.8Very low105 Ų105144.9 Ų144.973%0.73481%0.808SS**  trans-142.994.3162.1-76.60000108V171V171-S173 PolarHBondContact O-N 3.19Å
174N30.4Very low32.5Very low162 Ų162142 Ų14287%0.86680%0.799SS**  trans-64130.2-177-161.314.5000110.1
175P36.7Very low32.7Very low118 Ų118143 Ų14377%0.76680%0.8SS**  trans-87130.7-179.233-32.6000111.5
176G29.1Very low32.7Very low76 Ų76141.6 Ų141.678%0.78479%0.794SS**  trans155.4105.5164.600000115.9
177S29.6Very low32.6Very low110 Ų110142.1 Ų142.177%0.76979%0.793SS**  145116.4122.1-160.50000111.8
178W26.8Very low32.5Very low246 Ų246143.8 Ų143.893%0.93279%0.793SS**  trans-138.6148.8162.6-116.870.6000105.6
179L34.6Very low32.4Very low140 Ų140141.3 Ų141.373%0.73379%0.79SS**  trans81.1139.5-158.2-50.2163.7000111.6
180D30.7Very low32.4Very low140 Ų140136.9 Ų136.975%0.74979%0.79SS**  cis-143.8170.510.4-139.3-41.5000113.2
181V33.4Very low32.3Very low123 Ų123133.8 Ų133.875%0.74578%0.78SS**  trans-99.5110.4175.3171.50000110.1
182Q32.3Very low32.1Very low188 Ų188136.7 Ų136.788%0.87979%0.791SS**  trans-166.8123.7151.8-104.3142.433.900112.6
183N33.8Very low31.9Very low153 Ų153136.1 Ų136.182%0.81879%0.788SS**  trans-87.7164.7149.8-112.8-31.8000107
184P47.4Very low31.8Very low114 Ų114137 Ų13774%0.7480%0.795SS**  cis-141.5176.623.241.3-22.1000117.2
185A30.6Very low31.8Very low100 Ų100132 Ų13283%0.82678%0.781SS**  trans41130.414300000122.4
186G29.8Very low31.6Very low65 Ų65133.1 Ų133.167%0.6779%0.786SS**  trans146.7110.2144.700000118.8
187T31Very low32.7Very low130 Ų130134.9 Ų134.980%0.79878%0.783SS**  trans59.9126.5137.147.90000123.9
188L29.1Very low32.9Very low141 Ų141139 Ų13974%0.73879%0.79SS**  trans70.1108.3136.6-62.2172.9000118.5
189Q28.8Very low33Very low169 Ų169131 Ų13179%0.7978%0.777SS**  69.8117.892.8-84.3-158.91.500115.7
190T33.2Very low32.7Very low147 Ų147131.7 Ų131.790%0.90278%0.78SS**  -152.9127125.833.30000110
191S27.9Very low32.8Very low87 Ų87133 Ų13361%0.60878%0.781SS**  trans-83.3155.5173.1-50.40000111.2
192L31.9Very low32.9Very low180 Ų180131.1 Ų131.194%0.94277%0.774SS**  trans-138.7134.6152.5-108.4156.6000109.4
193H29.5Very low33Very low165 Ų165130 Ų13076%0.76477%0.768SS**  trans-112.8139.4-164.5-72.379.7000112.4
194S31.4Very low32.8Very low124 Ų124129.3 Ų129.387%0.86776%0.764SS**  trans-169.1138.8139.749.80000107.5
195G29.1Very low32.1Very low57 Ų57129.2 Ų129.259%0.58877%0.766SS**  cis113.862.113.800000110.2
196T34.5Very low32Very low140 Ų140127.6 Ų127.686%0.85976%0.759SS**  71.6164.7104.759.50000114.7
197P50.6Low31.9Very low113 Ų113135.8 Ų135.873%0.73477%0.771SS**  cis-136.4168.75.141.8-25.1000116.9
198Q33.6Very low31.9Very low196 Ų196136.6 Ų136.692%0.91677%0.771SS**  trans165145.4142.8-93.5177.724.700108.1
199A29.6Very low33.2Very low79 Ų79134 Ų13465%0.65376%0.762SS**  cis-160.1130.5-24.500000109.8
200I28.5Very low33.1Very low154 Ų154132.9 Ų132.979%0.7976%0.762SS**  trans44.4108.5145.6-37.9164.2000120.3
201H33.3Very low32.9Very low169 Ų169134.4 Ų134.478%0.78276%0.756SS**  179.9105.8123.7-112.4-104.1000109.4
202S34.1Very low33.1Very low83 Ų83135.2 Ų135.258%0.5876%0.762SS**  69.1101.8103.474.10000115
203Q34.6Very low33Very low163 Ų163131.1 Ų131.176%0.76275%0.748SS**  75.5134.382.5-64.8-94.5-2.400112.2
204L31Very low33Very low140 Ų140130.2 Ų130.273%0.73375%0.748SS**  cis-166173-1.2-171.157.6000110.1
205S33.1Very low32.9Very low112 Ų112129.7 Ų129.778%0.78374%0.74SS**  trans81.4138.7156.2-54.10000118.2
206G27.2Very low33Very low66 Ų66134.8 Ų134.868%0.6875%0.748SS**  cis153.5154.2-6.100000113.2
207Y28.3Very low32.9Very low237 Ų237133 Ų13393%0.92974%0.741SS**  trans73.696.3164.4-77.6-87.9000121.5
208N30.7Very low31.9Very low147 Ų147131.7 Ų131.779%0.78674%0.74SS**  -36.1179126.4-113.5-7.9000115.6
209P55.4Low31.6Very low86 Ų86131.7 Ų131.756%0.55874%0.737SS**  cis-142.6-167-7.733-8.9000115.5
210D27.6Very low31.6Very low145 Ų145132.8 Ų132.878%0.77574%0.74SS**  trans68.7160.7150.3-61.5-28.4000121.1
211F29.3Very low31.9Very low180 Ų180130.4 Ų130.479%0.78974%0.737SS**  cis172.9153.2-37.4-149.7-87.7000104.6
212S31.7Very low32Very low103 Ų103129.2 Ų129.272%0.7274%0.742SS**  trans74148.8172.7-40.50000116.3
213S28.9Very low31.9Very low94 Ų94128.7 Ų128.766%0.65775%0.749SS**  cis-172.1154.6-17.851.60000110.9
214L30Very low31.8Very low147 Ų147129.1 Ų129.177%0.7776%0.755SS**  trans68.1134.1145.4-73.1159.2000121.7
215T30.6Very low31.8Very low112 Ų112127.4 Ų127.469%0.68776%0.755SS**  trans88.7132.3136.343.60000124.4
216H30.9Very low32.6Very low164 Ų164127.1 Ų127.176%0.75975%0.751SS**  trans72.289.7144.1-73.5-61000122
217S31.8Very low32.9Very low102 Ų102129.3 Ų129.371%0.71376%0.755SS**  55137.8115.162.60000122.4
218A29.9Very low33Very low86 Ų86122.2 Ų122.271%0.71175%0.745SS**  trans114.6121134.600000118.9
219F27.7Very low33.2Very low196 Ų196120.3 Ų120.386%0.8674%0.744SS**  trans85.1153.5134-101.4-96.5000123.5
220S28.3Very low32Very low103 Ų103123.8 Ų123.872%0.7275%0.752SS**  trans78.1112.5166.1-520000116.7
221S36.1Very low32Very low103 Ų103123.4 Ų123.472%0.7275%0.749SS**  cis89.911425.688.10000116.8
222T35Very low32Very low145 Ų145122 Ų12289%0.8975%0.749SS**  trans-167131.3143.335.20000105.7
223G30.6Very low31.9Very low71 Ų71121.4 Ų121.473%0.73275%0.745SS**  90.1131.372.900000108.9
224I32.8Very low32.1Very low173 Ų173122.6 Ų122.689%0.88775%0.749SS**  cis-162.3159.635.3-81.2156000109.3
225S31.8Very low32.1Very low104 Ų104120.3 Ų120.373%0.72775%0.745SS**  trans-110.9165168-141.80000108.8
226P49.7Very low32.6Very low106 Ų106123.4 Ų123.469%0.68875%0.752SS**  -158.9174.953.739.9-16.4000119.5
227S32.7Very low32.6Very low112 Ų112123.6 Ų123.678%0.78375%0.753SS**  trans58.9164.2145.653.70000120.7
228A31.8Very low32.6Very low87 Ų87126.3 Ų126.372%0.71976%0.758SS**  cis-169.8176.9-3100000108.3
229S33.6Very low32.7Very low107 Ų107129 Ų12975%0.74876%0.76SS**  trans98.3112.7151.4-51.40000122.3
230H30.5Very low33Very low160 Ų160125.5 Ų125.574%0.74176%0.755SS**  62.1115.9123.2-72.8-88.1000124.8
231L28.4Very low33.1Very low136 Ų136128.1 Ų128.171%0.71276%0.756SS**  74.3134.2125.3-58.7174.6000123
232L28.2Very low32.8Very low150 Ų150129.4 Ų129.479%0.78575%0.754SS**  trans37.8132.5146.7-72.583.7000118.6
233S29.8Very low32.6Very low92 Ų92126 Ų12664%0.64375%0.747SS**  179.5154.258.5-165.30000113.2
234T33.5Very low32.7Very low118 Ų118132.4 Ų132.472%0.72476%0.756SS**  trans44.3122.1145.847.60000122.5
235S31.3Very low32.6Very low99 Ų99133.8 Ų133.869%0.69276%0.755SS**  125.1138.3108.1-91.40000119.2
236Q40.2Very low32.6Very low178 Ų178135.3 Ų135.383%0.83276%0.761SS**  trans72.8109.3159.6-65.1166.616.500117.2
237H30.1Very low31.7Very low168 Ų168136.6 Ų136.678%0.77877%0.766SS**  77.2103.775.6-110.7-101.4000113.9
238L32.9Very low31.6Very low159 Ų159138.8 Ų138.883%0.83277%0.767SS**  -176.5159.9111-95.3160.2000111.4
239L31.1Very low32.3Very low143 Ų143139.5 Ų139.575%0.74976%0.764SS**  trans-73.9164.7179.1-54.797.3000109.8
240T33.9Very low32Very low121 Ų121139.7 Ų139.774%0.74276%0.761SS**  cis-159.2139.644.442.20000115.2
241Q30.9Very low31.8Very low159 Ų159141.5 Ų141.574%0.74376%0.763SS**  trans40.3125.5137.3-69.2-170-89.600123.9
242D30Very low32Very low130 Ų130140.6 Ų140.670%0.69576%0.764SS**  68.679.9126.6-54.1-27.1000120.8
243G31.4Very low31.9Very low72 Ų72140.9 Ų140.974%0.74277%0.766SS**  trans-102.2109.515600000112.5K245G243-K245 PolarHBondContact O-N 2.81Å
244F31.9Very low32Very low207 Ų207140.8 Ų140.891%0.90877%0.771SS**  trans-64.7116.9169-89.6-96000110.6
245K31.6Very low32Very low201 Ų201141.2 Ų141.287%0.87478%0.778SS**  trans-91.1118.2175.8-73.7-177176.8178.90111.6G243G243-K245 PolarHBondContact O-N 2.81Å
246T31.5Very low32Very low137 Ų137141.5 Ų141.584%0.8479%0.787SS**  trans-113.3101.6162.248.90000109.8
247V31Very low31.7Very low133 Ų133137.3 Ų137.381%0.80678%0.783SS**  trans-141131.6169.7-177.30000109.7
248I29.1Very low31.9Very low158 Ų158136.9 Ų136.981%0.8179%0.786SS**  trans-140.5157.8162.9-29178.3000105.9
249P47.1Very low31.7Very low101 Ų101133.5 Ų133.566%0.65678%0.781SS**  -110.3-168.9-69.536.6-23.2000110.4
250T27.7Very low31.8Very low111 Ų111136.1 Ų136.168%0.68179%0.792SS**  178145.6116.829.90000115.9
251Y26.6Very low31.9Very low198 Ų198138.1 Ų138.178%0.77680%0.796SS**  trans61.6144.4148.373-121.4000124.6
252T31.6Very low32.1Very low118 Ų118136.3 Ų136.372%0.72480%0.802SS**  trans63.9146.8163.264.60000118.7
253D27.3Very low32.2Very low156 Ų156134.1 Ų134.183%0.83481%0.809SS**  cis-149.3176.1-16.5-142.2-38.1000110
254A32Very low32.2Very low90 Ų90133.7 Ų133.774%0.74481%0.805SS**  trans-82.8147.9-176.800000114.7
255S32.3Very low32.3Very low126 Ų126131.1 Ų131.188%0.88181%0.806SS**  trans-150.7144.8147.654.20000110.1
256A32.4Very low32.4Very low106 Ų106127.9 Ų127.988%0.87681%0.809SS**  trans-111.7150.5-167.800000112.6
257A33.5Very low32.6Very low90 Ų90124.6 Ų124.674%0.74480%0.802SS**  trans-151.8116.3159.700000111.7
258N34.7Very low33Very low158 Ų158126.3 Ų126.385%0.84581%0.805SS**  trans36.2105.8145.1-54.8-21.2000118.6
259A29.3Very low33Very low89 Ų89124.5 Ų124.574%0.73681%0.807SS**  81.8115.47200000115
260M31.9Very low32.5Very low197 Ų197124.9 Ų124.997%0.9781%0.812SS**  trans-148147.7133.5-78.5-146.4177.700110.1
261I36.3Very low32.6Very low163 Ų163124.9 Ų124.984%0.83682%0.816SS**  trans-108.1139.5-171.7-66.6168000109.7
262S35.1Very low33Very low122 Ų122121.4 Ų121.485%0.85382%0.821SS**  trans-168.4146.4142-84.60000111.2
263G31.4Very low33.2Very low83 Ų83127 Ų12786%0.85683%0.829SS**  trans-63.4177.6-160.600000118.3
264G32.1Very low33.8Very low64 Ų64124.9 Ų124.966%0.6683%0.826SS**  cis173.6-161.85.500000111.7
265T35Very low34Very low152 Ų152125.4 Ų125.493%0.93382%0.824SS**  trans80.4124.7-175.674.30000116.4
266S33.4Very low34.2Very low134 Ų134130.2 Ų130.294%0.93782%0.823SS**  trans-87.1121-170.7-46.70000111.6
267G35.7Very low34.5Very low67 Ų67135.9 Ų135.969%0.69182%0.822SS**  trans-112.4130168.200000110.5S269G267-S269 PolarHBondContact O-N 3.22Å
268I38.3Very low34.2Very low170 Ų170141.1 Ų141.187%0.87282%0.824SS**  trans-63.3121.7-172.5-61.3155.9000111S270I268-S270 PolarHBondContact O-N 3.28Å
269S29.9Very low34.4Very low120 Ų120139.3 Ų139.384%0.83982%0.823SS**  trans-69.284.2-179.3-560000113G267 S271G267-S269 PolarHBondContact O-N 3.22Å; S269-S271 PolarHBondContact O-N 3.43Å
270S35.6Very low34.7Very low108 Ų108136.9 Ų136.976%0.75581%0.807SS**  trans-74113.1169.564.50000110.9I268I268-S270 PolarHBondContact O-N 3.28Å
271S29.6Very low35.1Very low112 Ų112134.2 Ų134.278%0.78379%0.786SS**  trans-34.2131.6-179.9-1740000116S269 R273S269-S271 PolarHBondContact O-N 3.43Å; S271-R273 VanDerWaalsContact C-N 3.33Å; S271-R273 PolarHBondContact O-N 3.22Å
272S34.9Very low35.3Very low124 Ų124130.4 Ų130.487%0.86778%0.778SS**  trans-64.279.2-179.8-59.10000113.5S274S272-S274 PolarHBondContact O-N 2.94Å
273R37Very low35.8Very low237 Ų237129.1 Ų129.189%0.89477%0.766SS**  trans-65.3117.8163.4-84-176.3170.2166.3-1.2109.3S271 S275S271-R273 VanDerWaalsContact C-N 3.33Å; S271-R273 PolarHBondContact O-N 3.22Å; R273-S275 VanDerWaalsContact C-N 3.33Å; R273-S275 PolarHBondContact O-N 3.37Å
274S39.2Very low36.7Very low111 Ų111127.2 Ų127.278%0.77674%0.739SS**  trans-57.287.9179.3-172.50000112.1S272 R276S272-S274 PolarHBondContact O-N 2.94Å; S274-R276 PolarHBondContact O-N 3.34Å
275S35.7Very low37.9Very low100 Ų100129.9 Ų129.970%0.69974%0.738SS**  trans-87.889.7164.5-171.60000107.7R273 R277R273-S275 VanDerWaalsContact C-N 3.33Å; R273-S275 PolarHBondContact O-N 3.37Å; S275-R277 VanDerWaalsContact C-N 3.27Å; S275-R277 PolarHBondContact O-N 3.28Å
276R36.1Very low39.2Very low227 Ų227123.2 Ų123.286%0.85770%0.697SS**  trans-58.898.8159.6-69.1-174.3-169.5-165.52.6106.7S274 Y278S274-R276 PolarHBondContact O-N 3.34Å; R276-Y278 VanDerWaalsContact C-N 3.27Å; R276-Y278 PolarHBondContact O-N 3.32Å
277R38.7Very low40.8Very low226 Ų226119.1 Ų119.185%0.85367%0.668SS**  trans-6297.8165.5-70.8-166.8-168-170.27.2106.5S275 S279S275-R277 VanDerWaalsContact C-N 3.27Å; S275-R277 PolarHBondContact O-N 3.28Å; R277-S279 PolarHBondContact O-N 3.01Å
278Y28.8Very low42Very low200 Ų200117.1 Ų117.178%0.78464%0.641SS**  trans-67.889.6169.4-170-95.5000107.2R276 G280R276-Y278 VanDerWaalsContact C-N 3.27Å; R276-Y278 PolarHBondContact O-N 3.32Å; Y278-G280 WeakPolarHBondContact CD1-O 3.2Å; Y278-G280 WeakPolarHBondContact CE1-O 3.46Å; Y278-G280 PolarHBondContact O-N 3.06Å
279S38.1Very low43.3Very low119 Ų119109.6 Ų109.683%0.83260%0.603SS**  trans-73.92.517750.60000112.7R277 R281R277-S279 PolarHBondContact O-N 3.01Å; S279-R281 PolarHBondContact O-N 3.39Å
280G35Very low45.1Very low38 Ų38110.3 Ų110.339%0.39259%0.593SS.*  trans-66.697.6161.600000110.1Y278 A282Y278-G280 WeakPolarHBondContact CD1-O 3.2Å; Y278-G280 WeakPolarHBondContact CE1-O 3.46Å; Y278-G280 PolarHBondContact O-N 3.06Å; G280-A282 PolarHBondContact O-N 3.25Å
281R41.1Very low46.5Very low142 Ų142108.4 Ų108.454%0.53657%0.572SS.*  trans-65.886.5169.5-167.2-176.4-157.2-105.420.2107.9S279 T283 E293S279-R281 PolarHBondContact O-N 3.39Å; R281-T283 PolarHBondContact O-N 3.36Å; R281-E293 IonicContact CZ-OE1 3.58Å; R281-E293 IonicContact CZ-OE2 3.5Å; R281-E293 IonicContact NH1-OE1 3.42Å; R281-E293 PolarHBondContact NH1-OE1 3.4Å; R281-E293 IonicContact NH1-OE2 2.76Å; R281-E293 PolarHBondContact NH1-OE2 3.14Å; R281-E293 IonicContact NH2-OE1 2.68Å; R281-E293 PolarHBondContact NH2-OE1 2.84Å; R281-E293 IonicContact NH2-OE2 3.88Å
282A40Very low48.3Very low82 Ų82103.1 Ų103.168%0.67854%0.536SS*.  trans-57.6103.8170.100000107.5G280 C284G280-A282 PolarHBondContact O-N 3.25Å; A282-C284 PolarHBondContact O-N 2.82Å
283T45.8Very low50Low95 Ų95101.9 Ų101.958%0.58352%0.516SS*.  trans-65.5100.8-178.746.10000107.5R281 D285R281-T283 PolarHBondContact O-N 3.36Å; T283-D285 PolarHBondContact O-N 2.87Å; T283-D285 VanDerWaalsContact O-N 3.15Å
284C50.1Low51.6Low43 Ų4398.8 Ų98.829%0.29151%0.505SS..  trans-7799.4175.440.70000108A282 C286 C289 T322A282-C284 PolarHBondContact O-N 2.82Å; C284-C286 PolarHBondContact O-N 3.31Å; C284-C289 HydrophobicContact CB-CB 3.86Å; C284-C289 WeakPolarHBondContact CB-SG 3.38Å; C284-C289 WeakPolarHBondContact O-CB 3.17Å; C284-C289 WeakPolarHBondContact SG-CB 3.39Å; C284-C289 CovalentContact SG-SG 2.05Å; C284-C289 PolarHBondContact SG-SG 3.15Å; C284-T322 HydrophobicContact CB-CG2 3.77Å
285D56.6Low53.2Low121 Ų12196.4 Ų96.465%0.64748%0.483SS*.  trans-69.926.3176.4-35.3-56.9000113T283T283-D285 PolarHBondContact O-N 2.87Å; T283-D285 VanDerWaalsContact O-N 3.15Å
286C63.6Low55.1Low12 Ų1293.2 Ų93.28%0.08147%0.466CS..SBendtrans-83.5145175.7780000109.9C284 N288 C289 Q290 H308 L325C284-C286 PolarHBondContact O-N 3.31Å; C286-N288 PolarHBondContact O-N 3.36Å; C286-C289 WeakPolarHBondContact O-CB 3.46Å; C286-C289 PolarHBondContact O-N 2.81Å; C286-C289 VanDerWaalsContact SG-CB 3.57Å; C286-C289 PolarHBondContact SG-N 2.92Å; C286-C289 VanDerWaalsContact SG-N 3.43Å; C286-C289 PolarHBondContact SG-SG 3.47Å; C286-Q290 PolarHBondContact O-N 3.3Å; C286-H308 PolarHBondContact SG-ND1 3.32Å; C286-L325 HydrophobicContact CB-CD2 3.8Å
287P66.1Low56.8Low48 Ų4888.5 Ų88.531%0.31247%0.465SS..Hα-helixtrans-53.7-35.6-175.6-29.335.9000113.4Q290 E291 H311P287-Q290 PolarHBondContact O-N 2.78Å; P287-E291 WeakPolarHBondContact O-CB 3.49Å; P287-E291 PolarHBondContact O-N 2.97Å; P287-H311 HydrophobicContact CB-CB 4.27Å; P287-H311 HydrophobicContact CG-CB 3.95Å
288N62.5Low58.1Low25 Ų2581.5 Ų81.513%0.13446%0.455CS..Hα-helixtrans-72.1-30.2178-161.114.7000113.7C286 A292 L302 L307C286-N288 PolarHBondContact O-N 3.36Å; N288-A292 WeakPolarHBondContact O-CB 3.39Å; N288-A292 PolarHBondContact O-N 3.07Å; N288-L302 WeakPolarHBondContact OD1-CD2 3.23Å; N288-L307 PolarHBondContact ND2-O 3.05Å
289C64.6Low59.6Low11 Ų1172 Ų727%0.07442%0.418CS..Hα-helixtrans-75.6-39.7172.7-81.30000111.6C284 C286 A292 E293C284-C289 HydrophobicContact CB-CB 3.86Å; C284-C289 WeakPolarHBondContact CB-SG 3.38Å; C284-C289 WeakPolarHBondContact O-CB 3.17Å; C284-C289 WeakPolarHBondContact SG-CB 3.39Å; C284-C289 CovalentContact SG-SG 2.05Å; C284-C289 PolarHBondContact SG-SG 3.15Å; C286-C289 WeakPolarHBondContact O-CB 3.46Å; C286-C289 PolarHBondContact O-N 2.81Å; C286-C289 VanDerWaalsContact SG-CB 3.57Å; C286-C289 PolarHBondContact SG-N 2.92Å; C286-C289 VanDerWaalsContact SG-N 3.43Å; C286-C289 PolarHBondContact SG-SG 3.47Å; C289-A292 PolarHBondContact O-N 2.98Å; C289-E293 VanDerWaalsContact O-CB 3.27Å; C289-E293 WeakPolarHBondContact O-CB 3.37Å; C289-E293 PolarHBondContact O-N 2.83Å
290Q67.8Low60.8Low136 Ų13668.1 Ų68.164%0.63639%0.393SS*.Hα-helixtrans-64.1-42.9175.1-172.6178.91100111C286 P287 E293 R294C286-Q290 PolarHBondContact O-N 3.3Å; P287-Q290 PolarHBondContact O-N 2.78Å; Q290-E293 WeakPolarHBondContact O-CB 3.34Å; Q290-E293 PolarHBondContact O-N 3.34Å; Q290-R294 WeakPolarHBondContact O-CB 3.3Å; Q290-R294 PolarHBondContact O-N 3.46Å
291E65.3Low62Low67 Ų6769.1 Ų69.131%0.31339%0.394SS..Hα-helixtrans-67.2-42.4174.2-177.760-168.300111.7P287 E293 R294 L295P287-E291 WeakPolarHBondContact O-CB 3.49Å; P287-E291 PolarHBondContact O-N 2.97Å; E291-E293 PolarHBondContact O-N 3.42Å; E291-R294 PolarHBondContact O-N 2.72Å; E291-R294 IonicContact OE1-CZ 3.41Å; E291-R294 IonicContact OE1-NE 3.72Å; E291-R294 PolarHBondContact OE1-NE 3.4Å; E291-R294 IonicContact OE1-NH2 3.74Å; E291-R294 PolarHBondContact OE1-NH2 3.13Å; E291-R294 IonicContact OE2-CZ 3.53Å; E291-R294 IonicContact OE2-NE 3.15Å; E291-R294 PolarHBondContact OE2-NE 3.24Å; E291-R294 IonicContact OE2-NH2 2.8Å; E291-R294 PolarHBondContact OE2-NH2 2.76Å; E291-L295 HydrophobicContact CG-CD1 3.93Å; E291-L295 HydrophobicContact CG-CG 4.42Å; E291-L295 VanDerWaalsContact O-CB 3.32Å; E291-L295 WeakPolarHBondContact O-CB 3.44Å; E291-L295 VanDerWaalsContact O-CG 3.26Å; E291-L295 WeakPolarHBondContact O-CG 3.39Å; E291-L295 PolarHBondContact O-N 3Å; E291-L295 WeakPolarHBondContact OE1-CD1 3.49Å
292A66.5Low63Low2 Ų265 Ų652%0.01738%0.383CS..Hα-helixtrans-68.7-16.1174.100000114.1N288 C289 L302 R303N288-A292 WeakPolarHBondContact O-CB 3.39Å; N288-A292 PolarHBondContact O-N 3.07Å; C289-A292 PolarHBondContact O-N 2.98Å; A292-L302 HydrophobicContact CB-CB 4.08Å; A292-R303 HydrophobicContact CB-CG 3.89Å
293E70.7Confident63.8Low98 Ų9866.3 Ų66.346%0.45837%0.37SS..Hα-helixtrans-83.2-46170.3-177.3121.9-131.100110.4R281 C289 Q290 E291 L295 G296 R303R281-E293 IonicContact CZ-OE1 3.58Å; R281-E293 IonicContact CZ-OE2 3.5Å; R281-E293 IonicContact NH1-OE1 3.42Å; R281-E293 PolarHBondContact NH1-OE1 3.4Å; R281-E293 IonicContact NH1-OE2 2.76Å; R281-E293 PolarHBondContact NH1-OE2 3.14Å; R281-E293 IonicContact NH2-OE1 2.68Å; R281-E293 PolarHBondContact NH2-OE1 2.84Å; R281-E293 IonicContact NH2-OE2 3.88Å; C289-E293 VanDerWaalsContact O-CB 3.27Å; C289-E293 WeakPolarHBondContact O-CB 3.37Å; C289-E293 PolarHBondContact O-N 2.83Å; Q290-E293 WeakPolarHBondContact O-CB 3.34Å; Q290-E293 PolarHBondContact O-N 3.34Å; E291-E293 PolarHBondContact O-N 3.42Å; E293-L295 VanDerWaalsContact C-N 3.28Å; E293-L295 PolarHBondContact O-N 2.9Å; E293-G296 PolarHBondContact O-N 2.96Å; E293-G296 VanDerWaalsContact O-N 3.08Å; E293-R303 IonicContact OE2-NH2 3.57Å
294R72Confident64.2Low171 Ų17171.8 Ų71.865%0.64538%0.38SS*.Hα-helixtrans-58.3-36.3172.8-165.2-1697176.9-2.8113Q290 E291Q290-R294 WeakPolarHBondContact O-CB 3.3Å; Q290-R294 PolarHBondContact O-N 3.46Å; E291-R294 PolarHBondContact O-N 2.72Å; E291-R294 IonicContact OE1-CZ 3.41Å; E291-R294 IonicContact OE1-NE 3.72Å; E291-R294 PolarHBondContact OE1-NE 3.4Å; E291-R294 IonicContact OE1-NH2 3.74Å; E291-R294 PolarHBondContact OE1-NH2 3.13Å; E291-R294 IonicContact OE2-CZ 3.53Å; E291-R294 IonicContact OE2-NE 3.15Å; E291-R294 PolarHBondContact OE2-NE 3.24Å; E291-R294 IonicContact OE2-NH2 2.8Å; E291-R294 PolarHBondContact OE2-NH2 2.76Å
295L72.6Confident64.7Low61 Ų6177.2 Ų77.232%0.31940%0.399SS..THydrogen-bonded Turntrans-86.7-3178-66.7175.3000113.9E291 E293 A298 G299 L302E291-L295 HydrophobicContact CG-CD1 3.93Å; E291-L295 HydrophobicContact CG-CG 4.42Å; E291-L295 VanDerWaalsContact O-CB 3.32Å; E291-L295 WeakPolarHBondContact O-CB 3.44Å; E291-L295 VanDerWaalsContact O-CG 3.26Å; E291-L295 WeakPolarHBondContact O-CG 3.39Å; E291-L295 PolarHBondContact O-N 3Å; E291-L295 WeakPolarHBondContact OE1-CD1 3.49Å; E293-L295 VanDerWaalsContact C-N 3.28Å; E293-L295 PolarHBondContact O-N 2.9Å; L295-A298 WeakPolarHBondContact O-CB 3.38Å; L295-A298 PolarHBondContact O-N 2.73Å; L295-G299 PolarHBondContact O-N 3.49Å; L295-L302 HydrophobicContact CD1-CD1 4.09Å
296G74.2Confident65.1Low34 Ų3473 Ų7335%0.35138%0.384SS..G310 helixtrans50-128.5176.100000114E293 A298 G299E293-G296 PolarHBondContact O-N 2.96Å; E293-G296 VanDerWaalsContact O-N 3.08Å; G296-A298 VanDerWaalsContact C-N 3.28Å; G296-A298 PolarHBondContact O-N 3.23Å; G296-G299 WeakPolarHBondContact O-CA 3.38Å; G296-G299 PolarHBondContact O-N 2.85Å
297P72.1Confident65.5Low128 Ų12876.3 Ų76.383%0.83140%0.4SS*.G310 helixtrans-57.8-32.9178.3-25.535.3000114.6G299 A300P297-G299 VanDerWaalsContact C-N 3.29Å; P297-G299 PolarHBondContact O-N 2.85Å; P297-A300 WeakPolarHBondContact O-CB 3.21Å; P297-A300 PolarHBondContact O-N 3.39Å
298A65.9Low65.9Low78 Ų7875.1 Ų75.165%0.64539%0.39SS*.G310 helixtrans-68.8-30.3176.100000111.9L295 G296 A300L295-A298 WeakPolarHBondContact O-CB 3.38Å; L295-A298 PolarHBondContact O-N 2.73Å; G296-A298 VanDerWaalsContact C-N 3.28Å; G296-A298 PolarHBondContact O-N 3.23Å; A298-A300 PolarHBondContact O-N 2.86Å
299G61Low66.5Low0 Ų076.5 Ų76.50%040%0.402CS..G310 helixtrans-68.8-10.2172.700000114.8L295 G296 P297 S301 L302 R303L295-G299 PolarHBondContact O-N 3.49Å; G296-G299 WeakPolarHBondContact O-CA 3.38Å; G296-G299 PolarHBondContact O-N 2.85Å; P297-G299 VanDerWaalsContact C-N 3.29Å; P297-G299 PolarHBondContact O-N 2.85Å; G299-S301 PolarHBondContact O-N 2.79Å; G299-S301 VanDerWaalsContact O-N 3.13Å; G299-L302 WeakPolarHBondContact O-CB 3.49Å; G299-L302 PolarHBondContact O-N 2.94Å; G299-R303 PolarHBondContact O-N 2.89Å
300A63.2Low67.1Low38 Ų3876.5 Ų76.531%0.31440%0.402SS..Hα-helixtrans-63.1-21.3-176.900000114.1P297 A298 R304P297-A300 WeakPolarHBondContact O-CB 3.21Å; P297-A300 PolarHBondContact O-N 3.39Å; A298-A300 PolarHBondContact O-N 2.86Å; A300-R304 WeakPolarHBondContact O-CB 3.37Å; A300-R304 PolarHBondContact O-N 3.23Å; A300-R304 VanDerWaalsContact O-N 3.1Å
301S61.3Low67.2Low59 Ų5977 Ų7741%0.41340%0.404SS..Hα-helixtrans-72.5-35.4174.178.30000112.5G299 R304 K305G299-S301 PolarHBondContact O-N 2.79Å; G299-S301 VanDerWaalsContact O-N 3.13Å; S301-R304 PolarHBondContact O-N 3.32Å; S301-K305 PolarHBondContact O-N 3.25Å
302L60.4Low67.7Low57 Ų5776.5 Ų76.530%0.29840%0.403SS..Hα-helixtrans-70.3-39.3176.9-66.4155.4000110.4N288 A292 L295 G299 K305N288-L302 WeakPolarHBondContact OD1-CD2 3.23Å; A292-L302 HydrophobicContact CB-CB 4.08Å; L295-L302 HydrophobicContact CD1-CD1 4.09Å; G299-L302 WeakPolarHBondContact O-CB 3.49Å; G299-L302 PolarHBondContact O-N 2.94Å; L302-K305 PolarHBondContact O-N 2.72Å
303R58.3Low67Low109 Ų10982.4 Ų82.441%0.41144%0.441SS..Hα-helixtrans-61.8-39.8170.2-72.9179.3174.4-113.9-5.1112.8A292 E293 G299A292-R303 HydrophobicContact CB-CG 3.89Å; E293-R303 IonicContact OE2-NH2 3.57Å; G299-R303 PolarHBondContact O-N 2.89Å
304R54.4Low66.7Low209 Ų20982 Ų8279%0.78946%0.464SS*.Hα-helixtrans-72.2-25.2-179.4-85.3-169.8-75.3177.8-4.9115A300 S301 G306A300-R304 WeakPolarHBondContact O-CB 3.37Å; A300-R304 PolarHBondContact O-N 3.23Å; A300-R304 VanDerWaalsContact O-N 3.1Å; S301-R304 PolarHBondContact O-N 3.32Å; R304-G306 VanDerWaalsContact C-N 3.29Å; R304-G306 PolarHBondContact O-N 2.86Å
305K60.2Low66.7Low158 Ų15875 Ų7569%0.68744%0.44SS*.THydrogen-bonded Turntrans-76.3-13179.9-75.4177.7178.1178.40113.9S301 L302 L307S301-K305 PolarHBondContact O-N 3.25Å; L302-K305 PolarHBondContact O-N 2.72Å; K305-L307 HydrophobicContact CB-CB 4.21Å; K305-L307 WeakPolarHBondContact O-CB 3.5Å; K305-L307 PolarHBondContact O-N 2.91Å
306G65Low66.7Low32 Ų3275.2 Ų75.233%0.3346%0.457SS..THydrogen-bonded Turntrans59.217.3179.800000114.3R304 H308 G320R304-G306 VanDerWaalsContact C-N 3.29Å; R304-G306 PolarHBondContact O-N 2.86Å; G306-H308 PolarHBondContact O-CD2 2.79Å; G306-G320 CarbonylContact O-C 3.6Å; G306-G320 VanDerWaalsContact O-CA 3.23Å; G306-G320 WeakPolarHBondContact O-CA 3.34Å
307L70.7Confident66.8Low81 Ų8178.6 Ų78.642%0.42446%0.462SS..  trans-119.7117.5-160.8-173.763.3000109.7N288 K305 V318N288-L307 PolarHBondContact ND2-O 3.05Å; K305-L307 HydrophobicContact CB-CB 4.21Å; K305-L307 WeakPolarHBondContact O-CB 3.5Å; K305-L307 PolarHBondContact O-N 2.91Å; L307-V318 HydrophobicContact CD1-CB 4.11Å; L307-V318 HydrophobicContact CD1-CG1 3.43Å; L307-V318 VanDerWaalsContact CD1-CG1 3.43Å; L307-V318 HydrophobicContact CD2-CG1 3.95Å; L307-V318 HydrophobicContact CG-CB 4.49Å; L307-V318 HydrophobicContact CG-CG1 3.39Å
308H75.4Confident67.1Low23 Ų2376.1 Ų76.111%0.10645%0.445CS..EExtended strand (participates in β ladder)trans-115.5109.6-169.6-54-85.9000109.8C286 G306 Y319 T322 L325C286-H308 PolarHBondContact SG-ND1 3.32Å; G306-H308 PolarHBondContact O-CD2 2.79Å; H308-Y319 PolarHBondContact CD2-O 3.5Å; H308-Y319 PolarHBondContact N-O 3.2Å; H308-Y319 PolarHBondContact O-N 3.18Å; H308-T322 WeakPolarHBondContact CE1-CG2 3.45Å; H308-T322 WeakPolarHBondContact NE2-CG2 3.2Å; H308-L325 HydrophobicContact CB-CB 4.05Å; H308-L325 HydrophobicContact CB-CD2 3.6Å; H308-L325 HydrophobicContact CB-CG 4.42Å
309S74.7Confident67.7Low54 Ų5475 Ų7538%0.37842%0.424SS..EExtended strand (participates in β ladder)trans-80.9148.4177.741.60000112.4L325S309-L325 WeakPolarHBondContact O-CD2 3.37Å
310C76.8Confident68.6Low12 Ų1277.8 Ų77.88%0.08145%0.453CS..  trans-73.7126.4162.9-1690000109.4I312 C315 K317 L325 H328C310-I312 VanDerWaalsContact C-N 3.3Å; C310-C315 HydrophobicContact CB-CB 4.33Å; C310-K317 PolarHBondContact N-O 2.79Å; C310-L325 HydrophobicContact CB-CD1 4.18Å; C310-H328 WeakPolarHBondContact CB-NE2 3.18Å; C310-H328 PolarHBondContact SG-NE2 3.42Å
311H71.1Confident69.2Low147 Ų14782 Ų8268%0.68147%0.465SS*.  trans-79.4-12.917917859.4000113P287P287-H311 HydrophobicContact CB-CB 4.27Å; P287-H311 HydrophobicContact CG-CB 3.95Å
312I74.6Confident69.9Low56 Ų5682.1 Ų82.129%0.28746%0.463SS..SBendtrans-75.2125.2-170.5-62.9176.2000109.7C310 G314 C315 L329 H332C310-I312 VanDerWaalsContact C-N 3.3Å; I312-G314 PolarHBondContact O-N 3.04Å; I312-C315 WeakPolarHBondContact O-CB 3.46Å; I312-C315 PolarHBondContact O-N 3.1Å; I312-C315 VanDerWaalsContact O-N 3.13Å; I312-L329 HydrophobicContact CD1-CD2 3.97Å; I312-L329 HydrophobicContact CG1-CD2 4.45Å; I312-H332 HydrophobicContact CD1-CB 3.28Å; I312-H332 VanDerWaalsContact CD1-CG 3.43Å
313P53.1Low70.7Confident125 Ų12582.8 Ų82.881%0.81247%0.472SS*.THydrogen-bonded Turntrans-58.6138.4-174.323.1-33.8000111.1C315P313-C315 VanDerWaalsContact C-N 3.31Å; P313-C315 PolarHBondContact O-N 3.44Å
314G62.9Low71.6Confident91 Ų9181.7 Ų81.794%0.93847%0.472SS*.THydrogen-bonded Turntrans83-12.2-176.300000115.8I312I312-G314 PolarHBondContact O-N 3.04Å
315C72.7Confident72.8Confident23 Ų2371.8 Ų71.816%0.15543%0.434CS..THydrogen-bonded Turntrans-83.4-49.9-178.4-1710000114C310 I312 P313 K317 H328 H332C310-C315 HydrophobicContact CB-CB 4.33Å; I312-C315 WeakPolarHBondContact O-CB 3.46Å; I312-C315 PolarHBondContact O-N 3.1Å; I312-C315 VanDerWaalsContact O-N 3.13Å; P313-C315 VanDerWaalsContact C-N 3.31Å; P313-C315 PolarHBondContact O-N 3.44Å; C315-K317 PolarHBondContact O-N 3.43Å; C315-H328 PolarHBondContact SG-CE1 3.06Å; C315-H328 PolarHBondContact SG-NE2 3.49Å; C315-H332 PolarHBondContact SG-NE2 3.31Å
316G73.1Confident73.4Confident65 Ų6570.1 Ų70.167%0.6743%0.427SS*.  trans61.80.6176.400000117.1V318G316-V318 WeakPolarHBondContact O-CG2 3.46Å
317K75.1Confident73.9Confident105 Ų10569.5 Ų69.546%0.45742%0.419SS..  trans-72.2145.1-176.3-62.9-178-159-64.10111.8C310 C315 Y319C310-K317 PolarHBondContact N-O 2.79Å; C315-K317 PolarHBondContact O-N 3.43Å; K317-Y319 HydrophobicContact CB-CE2 3.67Å; K317-Y319 VanDerWaalsContact CD-OH 3.3Å; K317-Y319 WeakPolarHBondContact CD-OH 3.18Å
318V79.2Confident74.2Confident76 Ų7666.6 Ų66.646%0.46140%0.403SS..EExtended strand (participates in β ladder)trans-135.4138-174.5-150.70000110.7L307 G316L307-V318 HydrophobicContact CD1-CB 4.11Å; L307-V318 HydrophobicContact CD1-CG1 3.43Å; L307-V318 VanDerWaalsContact CD1-CG1 3.43Å; L307-V318 HydrophobicContact CD2-CG1 3.95Å; L307-V318 HydrophobicContact CG-CB 4.49Å; L307-V318 HydrophobicContact CG-CG1 3.39Å; G316-V318 WeakPolarHBondContact O-CG2 3.46Å
319Y79.6Confident74Confident54 Ų5467.5 Ų67.521%0.21241%0.409CS..EExtended strand (participates in β ladder)trans-131.9129.2-167.7-63-84.6000112.4H308 K317 K321 H324 L325 H328H308-Y319 PolarHBondContact CD2-O 3.5Å; H308-Y319 PolarHBondContact N-O 3.2Å; H308-Y319 PolarHBondContact O-N 3.18Å; K317-Y319 HydrophobicContact CB-CE2 3.67Å; K317-Y319 VanDerWaalsContact CD-OH 3.3Å; K317-Y319 WeakPolarHBondContact CD-OH 3.18Å; Y319-K321 PolarHBondContact O-N 2.68Å; Y319-H324 HydrophobicContact CD1-CB 3.71Å; Y319-H324 HydrophobicContact CG-CB 4.14Å; Y319-L325 HydrophobicContact CD2-CB 4.15Å; Y319-L325 HydrophobicContact CD2-CD1 3.95Å; Y319-L325 HydrophobicContact CE2-CD1 4.33Å; Y319-L325 HydrophobicContact CG-CB 4.44Å; Y319-H328 HydrophobicContact CE1-CB 4.35Å; Y319-H328 HydrophobicContact CE2-CB 3.75Å; Y319-H328 AromaticContact CE2-CD2 3.34Å; Y319-H328 WeakPolarHBondContact CE2-CD2 3.5Å; Y319-H328 AromaticContact CE2-CG 3.58Å; Y319-H328 AromaticContact CZ-CD2 3.84Å; Y319-H328 AromaticContact CZ-CG 3.59Å; Y319-H328 PolarHBondContact OH-ND1 2.77Å
320G78Confident73.8Confident60 Ų6067.7 Ų67.762%0.61940%0.401SS*.SBendtrans-71.99.2176.100000115.9G306G306-G320 CarbonylContact O-C 3.6Å; G306-G320 VanDerWaalsContact O-CA 3.23Å; G306-G320 WeakPolarHBondContact O-CA 3.34Å
321K76.6Confident73.2Confident126 Ų12674.4 Ų74.455%0.54843%0.425SS..SBendtrans-149.6135.3-179.4-64.3-173.5-179-179.90110.9Y319 S323 H324 L325Y319-K321 PolarHBondContact O-N 2.68Å; K321-S323 VanDerWaalsContact C-N 3.29Å; K321-S323 PolarHBondContact O-N 3.15Å; K321-H324 HydrophobicContact CB-CB 4.37Å; K321-H324 PolarHBondContact O-N 2.76Å; K321-H324 VanDerWaalsContact O-N 3.15Å; K321-L325 PolarHBondContact O-N 2.87Å
322T75.9Confident73Confident61 Ų6170.2 Ų70.237%0.37441%0.405SS..Hα-helixtrans-55.8-40.4174.551.30000112.9C284 H308 H324 L325 K326C284-T322 HydrophobicContact CB-CG2 3.77Å; H308-T322 WeakPolarHBondContact CE1-CG2 3.45Å; H308-T322 WeakPolarHBondContact NE2-CG2 3.2Å; T322-H324 VanDerWaalsContact C-N 3.3Å; T322-H324 PolarHBondContact O-N 2.75Å; T322-L325 PolarHBondContact O-N 3.33Å; T322-K326 WeakPolarHBondContact O-CB 3.46Å; T322-K326 PolarHBondContact O-N 3.42Å
323S76.9Confident72.5Confident71 Ų7171.4 Ų71.450%0.49742%0.415SS..Hα-helixtrans-62.6-35.5178.657.70000112.9K321 A327K321-S323 VanDerWaalsContact C-N 3.29Å; K321-S323 PolarHBondContact O-N 3.15Å; S323-A327 WeakPolarHBondContact O-CB 3.48Å; S323-A327 PolarHBondContact O-N 3.09Å
324H78.3Confident72.8Confident86 Ų8667.9 Ų67.940%0.39840%0.402SS..Hα-helixtrans-73.3-40.6176.7-68.9-170.9000111.3Y319 K321 T322 A327 H328Y319-H324 HydrophobicContact CD1-CB 3.71Å; Y319-H324 HydrophobicContact CG-CB 4.14Å; K321-H324 HydrophobicContact CB-CB 4.37Å; K321-H324 PolarHBondContact O-N 2.76Å; K321-H324 VanDerWaalsContact O-N 3.15Å; T322-H324 VanDerWaalsContact C-N 3.3Å; T322-H324 PolarHBondContact O-N 2.75Å; H324-A327 PolarHBondContact O-N 3.16Å; H324-H328 WeakPolarHBondContact O-CB 3.44Å; H324-H328 PolarHBondContact O-N 3.37Å
325L78.3Confident72.5Confident1 Ų169.1 Ų69.11%0.00538%0.383CS..Hα-helixtrans-62.5-45.5172.3177.262.4000111.2C286 H308 S309 C310 Y319 K321 T322 A327 H328 L329C286-L325 HydrophobicContact CB-CD2 3.8Å; H308-L325 HydrophobicContact CB-CB 4.05Å; H308-L325 HydrophobicContact CB-CD2 3.6Å; H308-L325 HydrophobicContact CB-CG 4.42Å; S309-L325 WeakPolarHBondContact O-CD2 3.37Å; C310-L325 HydrophobicContact CB-CD1 4.18Å; Y319-L325 HydrophobicContact CD2-CB 4.15Å; Y319-L325 HydrophobicContact CD2-CD1 3.95Å; Y319-L325 HydrophobicContact CE2-CD1 4.33Å; Y319-L325 HydrophobicContact CG-CB 4.44Å; K321-L325 PolarHBondContact O-N 2.87Å; T322-L325 PolarHBondContact O-N 3.33Å; L325-A327 VanDerWaalsContact C-N 3.33Å; L325-A327 PolarHBondContact O-N 3.05Å; L325-H328 CarbonylContact O-C 3.33Å; L325-H328 WeakPolarHBondContact O-CA 3.29Å; L325-H328 WeakPolarHBondContact O-CB 3.11Å; L325-H328 PolarHBondContact O-N 2.82Å; L325-L329 HydrophobicContact CD1-CD1 4.19Å; L325-L329 HydrophobicContact CD1-CD2 4.38Å; L325-L329 HydrophobicContact CD1-CG 3.97Å; L325-L329 HydrophobicContact CD2-CD1 4.45Å; L325-L329 HydrophobicContact CG-CD1 3.94Å; L325-L329 HydrophobicContact CG-CG 4.21Å; L325-L329 WeakPolarHBondContact O-CG 3.31Å; L325-L329 PolarHBondContact O-N 3.44Å
326K74.6Confident72Confident123 Ų12374.3 Ų74.354%0.53540%0.4SS..Hα-helixtrans-62.7-38.4178.8-166.8162.6-172.4162.40112T322 H328 R330T322-K326 WeakPolarHBondContact O-CB 3.46Å; T322-K326 PolarHBondContact O-N 3.42Å; K326-H328 VanDerWaalsContact C-N 3.35Å; K326-R330 PolarHBondContact O-N 3.37Å
327A73.9Confident71.6Confident19 Ų1974.5 Ų74.516%0.15739%0.389CS..Hα-helixtrans-67.4-32.6172.300000113.2S323 H324 L325 R351S323-A327 WeakPolarHBondContact O-CB 3.48Å; S323-A327 PolarHBondContact O-N 3.09Å; H324-A327 PolarHBondContact O-N 3.16Å; L325-A327 VanDerWaalsContact C-N 3.33Å; L325-A327 PolarHBondContact O-N 3.05Å; A327-R351 HydrophobicContact CB-CG 4.22Å
328H77.6Confident71.1Confident20 Ų2072 Ų729%0.09338%0.378CS..Hα-helixtrans-74.2-41175.4167.251.9000112.7C310 C315 Y319 H324 L325 K326 R330 W331 H332C310-H328 WeakPolarHBondContact CB-NE2 3.18Å; C310-H328 PolarHBondContact SG-NE2 3.42Å; C315-H328 PolarHBondContact SG-CE1 3.06Å; C315-H328 PolarHBondContact SG-NE2 3.49Å; Y319-H328 HydrophobicContact CE1-CB 4.35Å; Y319-H328 HydrophobicContact CE2-CB 3.75Å; Y319-H328 AromaticContact CE2-CD2 3.34Å; Y319-H328 WeakPolarHBondContact CE2-CD2 3.5Å; Y319-H328 AromaticContact CE2-CG 3.58Å; Y319-H328 AromaticContact CZ-CD2 3.84Å; Y319-H328 AromaticContact CZ-CG 3.59Å; Y319-H328 PolarHBondContact OH-ND1 2.77Å; H324-H328 WeakPolarHBondContact O-CB 3.44Å; H324-H328 PolarHBondContact O-N 3.37Å; L325-H328 CarbonylContact O-C 3.33Å; L325-H328 WeakPolarHBondContact O-CA 3.29Å; L325-H328 WeakPolarHBondContact O-CB 3.11Å; L325-H328 PolarHBondContact O-N 2.82Å; K326-H328 VanDerWaalsContact C-N 3.35Å; H328-R330 PolarHBondContact O-N 3.27Å; H328-W331 VanDerWaalsContact O-CB 3.24Å; H328-W331 WeakPolarHBondContact O-CB 3.01Å; H328-W331 PolarHBondContact O-N 3.48Å; H328-H332 AromaticContact CE1-CD2 3.57Å; H328-H332 AromaticContact CE1-NE2 3.22Å; H328-H332 PolarHBondContact CE1-NE2 3.07Å; H328-H332 AromaticContact NE2-CD2 3.7Å; H328-H332 AromaticContact NE2-NE2 3.34Å; H328-H332 PolarHBondContact NE2-NE2 3.16Å
329L71.7Confident70.5Confident43 Ų4371.6 Ų71.623%0.22538%0.376CS..Hα-helixtrans-59.4-32.6177.9-71.7169.8000112I312 L325 W331 H332 T333I312-L329 HydrophobicContact CD1-CD2 3.97Å; I312-L329 HydrophobicContact CG1-CD2 4.45Å; L325-L329 HydrophobicContact CD1-CD1 4.19Å; L325-L329 HydrophobicContact CD1-CD2 4.38Å; L325-L329 HydrophobicContact CD1-CG 3.97Å; L325-L329 HydrophobicContact CD2-CD1 4.45Å; L325-L329 HydrophobicContact CG-CD1 3.94Å; L325-L329 HydrophobicContact CG-CG 4.21Å; L325-L329 WeakPolarHBondContact O-CG 3.31Å; L325-L329 PolarHBondContact O-N 3.44Å; L329-W331 PolarHBondContact O-N 3.28Å; L329-H332 WeakPolarHBondContact O-CB 3.35Å; L329-H332 PolarHBondContact O-N 2.84Å; L329-T333 PolarHBondContact O-N 3.06Å; L329-T333 PolarHBondContact O-OG1 3.07Å
330R71.1Confident70.4Confident57 Ų5769.2 Ų69.222%0.21537%0.367CS..Hα-helixtrans-59.6-22.7171.4-72.5177.2-179.5159.5-0.7115.1K326 H328 H332 T333 G334 E335 T350K326-R330 PolarHBondContact O-N 3.37Å; H328-R330 PolarHBondContact O-N 3.27Å; R330-H332 VanDerWaalsContact C-N 3.35Å; R330-T333 WeakPolarHBondContact CA-OG1 3.13Å; R330-G334 PolarHBondContact O-N 3.28Å; R330-E335 HydrophobicContact CG-CB 4.34Å; R330-E335 PolarHBondContact O-N 3.46Å; R330-T350 HydrophobicContact CB-CG2 4.34Å; R330-T350 VanDerWaalsContact CD-O 3.28Å; R330-T350 WeakPolarHBondContact CD-O 3.3Å; R330-T350 PolarHBondContact NH1-O 2.05Å
331W64.1Low69.9Low154 Ų15474.1 Ų74.158%0.58338%0.379SS*.Hα-helixtrans-70.4-35.4172179.674.4000111.3H328 L329H328-W331 VanDerWaalsContact O-CB 3.24Å; H328-W331 WeakPolarHBondContact O-CB 3.01Å; H328-W331 PolarHBondContact O-N 3.48Å; L329-W331 PolarHBondContact O-N 3.28Å
332H65.9Low69.5Low58 Ų5874 Ų7427%0.26938%0.375SS..Hα-helixtrans-81.9-37.1177.8-68.5-81.1000113.5I312 C315 H328 L329 R330 G334I312-H332 HydrophobicContact CD1-CB 3.28Å; I312-H332 VanDerWaalsContact CD1-CG 3.43Å; C315-H332 PolarHBondContact SG-NE2 3.31Å; H328-H332 AromaticContact CE1-CD2 3.57Å; H328-H332 AromaticContact CE1-NE2 3.22Å; H328-H332 PolarHBondContact CE1-NE2 3.07Å; H328-H332 AromaticContact NE2-CD2 3.7Å; H328-H332 AromaticContact NE2-NE2 3.34Å; H328-H332 PolarHBondContact NE2-NE2 3.16Å; L329-H332 WeakPolarHBondContact O-CB 3.35Å; L329-H332 PolarHBondContact O-N 2.84Å; R330-H332 VanDerWaalsContact C-N 3.35Å; H332-G334 VanDerWaalsContact C-N 3.26Å; H332-G334 PolarHBondContact O-N 3.28Å
333T63.8Low68.7Low81 Ų8178.4 Ų78.450%0.49740%0.396SS..SBendtrans-79.6-7.2178.860.80000113.4L329 R330 E335L329-T333 PolarHBondContact O-N 3.06Å; L329-T333 PolarHBondContact O-OG1 3.07Å; R330-T333 WeakPolarHBondContact CA-OG1 3.13Å; T333-E335 PolarHBondContact O-N 3.02Å; T333-E335 VanDerWaalsContact O-N 3.1Å; T333-E335 WeakPolarHBondContact OG1-CG 3.5Å
334G59.9Low67.9Low52 Ų5283.9 Ų83.954%0.53641%0.411SS..  trans69.2-0.2-176.100000114.6R330 H332 R336R330-G334 PolarHBondContact O-N 3.28Å; H332-G334 VanDerWaalsContact C-N 3.26Å; H332-G334 PolarHBondContact O-N 3.28Å; G334-R336 PolarHBondContact O-N 3.2Å; G334-R336 VanDerWaalsContact O-N 3.07Å
335E56.3Low67.7Low117 Ų11781 Ų8155%0.54740%0.4SS..  trans-65.3108.8-179.2-71.7-178.6172.800111.3R330 T333 P337R330-E335 HydrophobicContact CG-CB 4.34Å; R330-E335 PolarHBondContact O-N 3.46Å; T333-E335 PolarHBondContact O-N 3.02Å; T333-E335 VanDerWaalsContact O-N 3.1Å; T333-E335 WeakPolarHBondContact OG1-CG 3.5Å; E335-P337 WeakPolarHBondContact O-CD 3.31Å
336R62.1Low66.9Low131 Ų13183.2 Ų83.249%0.49442%0.423SS..  trans-109.773.3174-62.8167.180.1154.72.4109.6G334 F338 R348 F349 T350G334-R336 PolarHBondContact O-N 3.2Å; G334-R336 VanDerWaalsContact O-N 3.07Å; R336-F338 PolarHBondContact O-N 3.13Å; R336-R348 HydrophobicContact CB-CB 3.51Å; R336-R348 HydrophobicContact CG-CB 4.42Å; R336-R348 PolarHBondContact NE-O 3.26Å; R336-R348 PolarHBondContact NH2-O 3.27Å; R336-F349 CarbonylContact C-O 3.58Å; R336-F349 WeakPolarHBondContact CA-O 3.35Å; R336-T350 HydrophobicContact CG-CG2 3.95Å
337P65.3Low66.8Low69 Ų6981.6 Ų81.645%0.44842%0.416SS..  trans-70.8-14.4-172.329.6-37.2000113.9E335E335-P337 WeakPolarHBondContact O-CD 3.31Å
338F65.1Low66.8Low54 Ų5487.7 Ų87.724%0.23744%0.435CS..EExtended strand (participates in β ladder)trans-98.493.9-177.8-59-70.1000110.4R336 R348 F349 R351 S352 L355R336-F338 PolarHBondContact O-N 3.13Å; F338-R348 CarbonylContact O-C 3.48Å; F338-R348 WeakPolarHBondContact O-CA 3.44Å; F338-F349 HydrophobicContact CB-CB 4.22Å; F338-F349 WeakPolarHBondContact CB-O 3.38Å; F338-F349 PolarHBondContact N-O 2.89Å; F338-F349 VanDerWaalsContact N-O 3.14Å; F338-F349 PolarHBondContact O-N 2.86Å; F338-R351 VanDerWaalsContact CE2-C 3.47Å; F338-S352 VanDerWaalsContact CE2-N 3.33Å; F338-L355 HydrophobicContact CB-CB 3.91Å; F338-L355 HydrophobicContact CB-CD2 3.77Å; F338-L355 HydrophobicContact CB-CG 4.42Å; F338-L355 HydrophobicContact CD1-CD2 4.47Å
339V66.6Low66.7Low66 Ų6688.1 Ų88.140%0.444%0.436SS..EExtended strand (participates in β ladder)trans-88.5139.4178.2-171.60000110.3N341 R348V339-N341 PolarHBondContact O-N 3.3Å; V339-R348 HydrophobicContact CG1-CG 4.29Å; V339-R348 HydrophobicContact CG2-CG 4Å
340C76.6Confident66.5Low4 Ų488 Ų883%0.02744%0.438CS..  trans-71112.7167.3-173.50000109.7W342 C345 K347 F349 L355 H358 H362C340-W342 PolarHBondContact O-N 3.42Å; C340-W342 VanDerWaalsContact O-N 3.11Å; C340-W342 VanDerWaalsContact SG-CB 3.57Å; C340-C345 HydrophobicContact CB-CB 4.4Å; C340-K347 HydrophobicContact CB-CB 4.42Å; C340-K347 WeakPolarHBondContact CB-O 3.39Å; C340-K347 PolarHBondContact N-O 2.93Å; C340-F349 HydrophobicContact CB-CE2 4.48Å; C340-L355 HydrophobicContact CB-CD1 4.09Å; C340-H358 VanDerWaalsContact SG-CD2 3.59Å; C340-H358 PolarHBondContact SG-NE2 2.84Å; C340-H362 PolarHBondContact SG-NE2 3.34Å
341N67.6Low66.6Low163 Ų16390.1 Ų90.187%0.87245%0.446SS*.  trans-74.49.9178.8-156.360.2000113.9V339V339-N341 PolarHBondContact O-N 3.3Å
342W68.4Low67Low124 Ų12485.9 Ų85.947%0.4744%0.44SS..  trans-79123.6174.5-163.6-84.4000109.3C340 F344 C345 H362C340-W342 PolarHBondContact O-N 3.42Å; C340-W342 VanDerWaalsContact O-N 3.11Å; C340-W342 VanDerWaalsContact SG-CB 3.57Å; W342-F344 VanDerWaalsContact C-N 3.26Å; W342-F344 PolarHBondContact O-N 2.81Å; W342-F344 VanDerWaalsContact O-N 3.07Å; W342-C345 HydrophobicContact CB-CB 3.91Å; W342-C345 HydrophobicContact CG-CB 4.47Å; W342-C345 PolarHBondContact O-N 2.89Å; W342-H362 AromaticContact CD1-CE1 3.89Å; W342-H362 AromaticContact CD1-ND1 3.88Å; W342-H362 HydrophobicContact CD2-CB 3.8Å; W342-H362 AromaticContact CD2-CG 3.63Å; W342-H362 AromaticContact CD2-ND1 3.88Å; W342-H362 HydrophobicContact CE3-CB 3.56Å; W342-H362 AromaticContact CE3-CG 3.81Å; W342-H362 AromaticContact CG-CD2 3.94Å; W342-H362 AromaticContact CG-CE1 3.81Å; W342-H362 AromaticContact CG-CG 3.85Å; W342-H362 AromaticContact CG-ND1 3.8Å; W342-H362 AromaticContact CG-NE2 3.92Å; W342-H362 HydrophobicContact CH2-CB 3.97Å; W342-H362 HydrophobicContact CZ2-CB 4.2Å; W342-H362 HydrophobicContact CZ3-CB 3.65Å; W342-H362 AromaticContact NE1-ND1 4Å
343L58.9Low67.4Low154 Ų15486 Ų8681%0.80644%0.443SS*.THydrogen-bonded Turntrans-52.3-39.3-163.2-168.365000114.2
344F60.8Low68Low185 Ų18585.5 Ų85.581%0.81143%0.434SS*.THydrogen-bonded Turntrans-95.62.2-179.1-56.1-72000114.7W342W342-F344 VanDerWaalsContact C-N 3.26Å; W342-F344 PolarHBondContact O-N 2.81Å; W342-F344 VanDerWaalsContact O-N 3.07Å
345C74.1Confident68.9Low26 Ų2684 Ų8418%0.17641%0.414CS..THydrogen-bonded Turntrans-99.8-48.6-171-1580000114C340 W342 K347 H358 H362C340-C345 HydrophobicContact CB-CB 4.4Å; W342-C345 HydrophobicContact CB-CB 3.91Å; W342-C345 HydrophobicContact CG-CB 4.47Å; W342-C345 PolarHBondContact O-N 2.89Å; C345-K347 PolarHBondContact O-N 3.19Å; C345-H358 PolarHBondContact SG-CE1 3.4Å; C345-H358 PolarHBondContact SG-NE2 3.14Å; C345-H362 PolarHBondContact SG-CE1 3.28Å; C345-H362 PolarHBondContact SG-NE2 3.25Å
346G61.5Low69.8Low47 Ų4783.5 Ų83.549%0.48541%0.412SS..  trans59.5-2.8177.400000117.2R348G346-R348 WeakPolarHBondContact O-CG 3.41Å; G346-R348 PolarHBondContact O-N 3.43Å
347K70.9Confident70.5Confident89 Ų8980 Ų8039%0.38740%0.399SS..  trans-63.6128.4-173.1-68.8-177.7-172-178.30110.9C340 C345 F349C340-K347 HydrophobicContact CB-CB 4.42Å; C340-K347 WeakPolarHBondContact CB-O 3.39Å; C340-K347 PolarHBondContact N-O 2.93Å; C345-K347 PolarHBondContact O-N 3.19Å; K347-F349 HydrophobicContact CB-CE2 3.77Å; K347-F349 HydrophobicContact CB-CZ 3.69Å; K347-F349 WeakPolarHBondContact O-CE2 3.45Å
348R74.2Confident71.3Confident147 Ų14777.5 Ų77.556%0.55538%0.381SS*.EExtended strand (participates in β ladder)trans-105.9146.8179.9-45.7-168.1178.6-167.3-0.2111.2R336 F338 V339 G346R336-R348 HydrophobicContact CB-CB 3.51Å; R336-R348 HydrophobicContact CG-CB 4.42Å; R336-R348 PolarHBondContact NE-O 3.26Å; R336-R348 PolarHBondContact NH2-O 3.27Å; F338-R348 CarbonylContact O-C 3.48Å; F338-R348 WeakPolarHBondContact O-CA 3.44Å; V339-R348 HydrophobicContact CG1-CG 4.29Å; V339-R348 HydrophobicContact CG2-CG 4Å; G346-R348 WeakPolarHBondContact O-CG 3.41Å; G346-R348 PolarHBondContact O-N 3.43Å
349F75.3Confident71.8Confident29 Ų2977.4 Ų77.413%0.12738%0.383CS..EExtended strand (participates in β ladder)trans-133.5151.8-177.1-55.2-82.2000111.7R336 F338 C340 K347 E354 L355 H358R336-F349 CarbonylContact C-O 3.58Å; R336-F349 WeakPolarHBondContact CA-O 3.35Å; F338-F349 HydrophobicContact CB-CB 4.22Å; F338-F349 WeakPolarHBondContact CB-O 3.38Å; F338-F349 PolarHBondContact N-O 2.89Å; F338-F349 VanDerWaalsContact N-O 3.14Å; F338-F349 PolarHBondContact O-N 2.86Å; C340-F349 HydrophobicContact CB-CE2 4.48Å; K347-F349 HydrophobicContact CB-CE2 3.77Å; K347-F349 HydrophobicContact CB-CZ 3.69Å; K347-F349 WeakPolarHBondContact O-CE2 3.45Å; F349-E354 HydrophobicContact CB-CB 4.11Å; F349-E354 HydrophobicContact CB-CG 4.2Å; F349-E354 HydrophobicContact CD1-CB 4.12Å; F349-E354 HydrophobicContact CD1-CG 3.32Å; F349-E354 HydrophobicContact CE1-CG 3.93Å; F349-E354 HydrophobicContact CG-CB 4.28Å; F349-E354 HydrophobicContact CG-CG 3.96Å; F349-L355 HydrophobicContact CB-CB 4.48Å; F349-L355 HydrophobicContact CD2-CB 3.98Å; F349-L355 HydrophobicContact CD2-CD1 3.98Å; F349-L355 HydrophobicContact CE2-CD1 4.16Å; F349-L355 HydrophobicContact CG-CB 4.49Å; F349-H358 HydrophobicContact CE1-CB 4.29Å; F349-H358 HydrophobicContact CE2-CB 3.88Å; F349-H358 AromaticContact CE2-CD2 3.31Å; F349-H358 WeakPolarHBondContact CE2-CD2 3.41Å; F349-H358 AromaticContact CE2-CG 3.72Å; F349-H358 HydrophobicContact CZ-CB 3.58Å; F349-H358 AromaticContact CZ-CD2 3.42Å; F349-H358 VanDerWaalsContact CZ-CD2 3.42Å; F349-H358 WeakPolarHBondContact CZ-CD2 3.46Å; F349-H358 AromaticContact CZ-CG 3.4Å; F349-H358 VanDerWaalsContact CZ-CG 3.4Å
350T68.8Low72.2Confident42 Ų4279 Ų7926%0.25838%0.381SS..SBendtrans-84.3-17.317953.80000112.9R330 R336R330-T350 HydrophobicContact CB-CG2 4.34Å; R330-T350 VanDerWaalsContact CD-O 3.28Å; R330-T350 WeakPolarHBondContact CD-O 3.3Å; R330-T350 PolarHBondContact NH1-O 2.05Å; R336-T350 HydrophobicContact CG-CG2 3.95Å
351R71.6Confident72.1Confident100 Ų10082.2 Ų82.238%0.37740%0.401SS..SBendtrans-132.2149-177.7-57.3170.449.8126.9-8.9112.2A327 F338 D353 E354 L355A327-R351 HydrophobicContact CB-CG 4.22Å; F338-R351 VanDerWaalsContact CE2-C 3.47Å; R351-D353 WeakPolarHBondContact CB-OD1 3.43Å; R351-D353 IonicContact CZ-OD1 3.61Å; R351-D353 IonicContact CZ-OD2 3.49Å; R351-D353 IonicContact NE-OD1 3.55Å; R351-D353 PolarHBondContact NE-OD1 3.44Å; R351-D353 IonicContact NE-OD2 2.68Å; R351-D353 VanDerWaalsContact NH2-CG 3.28Å; R351-D353 IonicContact NH2-OD1 3.47Å; R351-D353 PolarHBondContact NH2-OD1 3.34Å; R351-D353 IonicContact NH2-OD2 2.86Å; R351-D353 PolarHBondContact NH2-OD2 2.87Å; R351-E354 HydrophobicContact CB-CB 4.38Å; R351-E354 WeakPolarHBondContact O-CB 3.39Å; R351-E354 PolarHBondContact O-N 3.01Å; R351-L355 PolarHBondContact O-N 2.82Å
352S72.8Confident72.3Confident66 Ų6676.8 Ų76.846%0.46237%0.37SS..Hα-helixtrans-73.7-34-178.7480000113.3F338 E354 L355 Q356F338-S352 VanDerWaalsContact CE2-N 3.33Å; S352-E354 VanDerWaalsContact C-N 3.25Å; S352-E354 PolarHBondContact O-N 2.8Å; S352-L355 PolarHBondContact O-N 2.7Å; S352-Q356 WeakPolarHBondContact O-CB 3.26Å; S352-Q356 VanDerWaalsContact O-CG 3.31Å; S352-Q356 WeakPolarHBondContact O-CG 3.32Å; S352-Q356 PolarHBondContact O-N 3.39Å
353D75Confident72.4Confident61 Ų6175 Ų7533%0.32637%0.373SS..Hα-helixtrans-67.1-27.8175.564.2-50.8000112.6R351 R357R351-D353 WeakPolarHBondContact CB-OD1 3.43Å; R351-D353 IonicContact CZ-OD1 3.61Å; R351-D353 IonicContact CZ-OD2 3.49Å; R351-D353 IonicContact NE-OD1 3.55Å; R351-D353 PolarHBondContact NE-OD1 3.44Å; R351-D353 IonicContact NE-OD2 2.68Å; R351-D353 VanDerWaalsContact NH2-CG 3.28Å; R351-D353 IonicContact NH2-OD1 3.47Å; R351-D353 PolarHBondContact NH2-OD1 3.34Å; R351-D353 IonicContact NH2-OD2 2.86Å; R351-D353 PolarHBondContact NH2-OD2 2.87Å; D353-R357 WeakPolarHBondContact O-CB 3.12Å; D353-R357 PolarHBondContact O-N 3.15Å; D353-R357 VanDerWaalsContact O-N 3.09Å; D353-R357 IonicContact OD2-NH2 2.72Å
354E76.3Confident72.6Confident69 Ų6969.9 Ų69.932%0.32236%0.357SS..Hα-helixtrans-70.5-50172.1-164.662.4-124.500111.1F349 R351 S352 Q356 R357 H358F349-E354 HydrophobicContact CB-CB 4.11Å; F349-E354 HydrophobicContact CB-CG 4.2Å; F349-E354 HydrophobicContact CD1-CB 4.12Å; F349-E354 HydrophobicContact CD1-CG 3.32Å; F349-E354 HydrophobicContact CE1-CG 3.93Å; F349-E354 HydrophobicContact CG-CB 4.28Å; F349-E354 HydrophobicContact CG-CG 3.96Å; R351-E354 HydrophobicContact CB-CB 4.38Å; R351-E354 WeakPolarHBondContact O-CB 3.39Å; R351-E354 PolarHBondContact O-N 3.01Å; S352-E354 VanDerWaalsContact C-N 3.25Å; S352-E354 PolarHBondContact O-N 2.8Å; E354-Q356 VanDerWaalsContact C-N 3.34Å; E354-Q356 PolarHBondContact O-N 2.75Å; E354-R357 PolarHBondContact O-N 2.91Å; E354-R357 VanDerWaalsContact O-N 3.16Å; E354-R357 IonicContact OE1-CZ 3.78Å; E354-R357 IonicContact OE1-NH1 2.77Å; E354-R357 PolarHBondContact OE1-NH1 3.42Å; E354-R357 IonicContact OE2-CZ 2.79Å; E354-R357 IonicContact OE2-NH1 3.18Å; E354-R357 PolarHBondContact OE2-NH1 3.48Å; E354-R357 IonicContact OE2-NH2 2.91Å; E354-H358 WeakPolarHBondContact O-CB 3.24Å; E354-H358 PolarHBondContact O-N 2.91Å
355L78.7Confident72.6Confident22 Ų2264.9 Ų64.912%0.11534%0.337CS..Hα-helixtrans-58-45.4174.9172.561.9000111.6F338 C340 F349 R351 S352 R357 H358 L359F338-L355 HydrophobicContact CB-CB 3.91Å; F338-L355 HydrophobicContact CB-CD2 3.77Å; F338-L355 HydrophobicContact CB-CG 4.42Å; F338-L355 HydrophobicContact CD1-CD2 4.47Å; C340-L355 HydrophobicContact CB-CD1 4.09Å; F349-L355 HydrophobicContact CB-CB 4.48Å; F349-L355 HydrophobicContact CD2-CB 3.98Å; F349-L355 HydrophobicContact CD2-CD1 3.98Å; F349-L355 HydrophobicContact CE2-CD1 4.16Å; F349-L355 HydrophobicContact CG-CB 4.49Å; R351-L355 PolarHBondContact O-N 2.82Å; S352-L355 PolarHBondContact O-N 2.7Å; L355-R357 VanDerWaalsContact C-N 3.29Å; L355-R357 PolarHBondContact O-N 3.36Å; L355-H358 PolarHBondContact O-N 2.85Å; L355-L359 HydrophobicContact CD1-CD1 4.1Å; L355-L359 HydrophobicContact CD1-CD2 4.46Å; L355-L359 HydrophobicContact CD1-CG 3.98Å; L355-L359 HydrophobicContact CG-CD1 4.01Å; L355-L359 HydrophobicContact CG-CG 4.36Å; L355-L359 WeakPolarHBondContact O-CG 3.5Å; L355-L359 PolarHBondContact O-N 2.85Å
356Q75.9Confident72.4Confident105 Ų10567.3 Ų67.349%0.49134%0.344SS..Hα-helixtrans-65.3-30.2178.8-74.7-66.3-36.500113.1S352 E354 R360S352-Q356 WeakPolarHBondContact O-CB 3.26Å; S352-Q356 VanDerWaalsContact O-CG 3.31Å; S352-Q356 WeakPolarHBondContact O-CG 3.32Å; S352-Q356 PolarHBondContact O-N 3.39Å; E354-Q356 VanDerWaalsContact C-N 3.34Å; E354-Q356 PolarHBondContact O-N 2.75Å; Q356-R360 WeakPolarHBondContact O-CG 3.34Å; Q356-R360 PolarHBondContact O-NE 2.9Å
357R77.1Confident72.9Confident59 Ų5973 Ų7322%0.22335%0.351CS..Hα-helixtrans-75-38.4172-163.3-175.2-42.6114.29.7111.6D353 E354 L355 R360 R379D353-R357 WeakPolarHBondContact O-CB 3.12Å; D353-R357 PolarHBondContact O-N 3.15Å; D353-R357 VanDerWaalsContact O-N 3.09Å; D353-R357 IonicContact OD2-NH2 2.72Å; E354-R357 PolarHBondContact O-N 2.91Å; E354-R357 VanDerWaalsContact O-N 3.16Å; E354-R357 IonicContact OE1-CZ 3.78Å; E354-R357 IonicContact OE1-NH1 2.77Å; E354-R357 PolarHBondContact OE1-NH1 3.42Å; E354-R357 IonicContact OE2-CZ 2.79Å; E354-R357 IonicContact OE2-NH1 3.18Å; E354-R357 PolarHBondContact OE2-NH1 3.48Å; E354-R357 IonicContact OE2-NH2 2.91Å; L355-R357 VanDerWaalsContact C-N 3.29Å; L355-R357 PolarHBondContact O-N 3.36Å; R357-R360 WeakPolarHBondContact O-CB 3.41Å; R357-R360 PolarHBondContact O-N 3.35Å; R357-R379 HydrophobicContact CG-CG 4.26Å
358H81.1Confident73Confident16 Ų1672 Ų727%0.07435%0.347CS..Hα-helixtrans-67.6-39.2176.4172.748.1000112.5C340 C345 F349 E354 L355 R360 T361 H362C340-H358 VanDerWaalsContact SG-CD2 3.59Å; C340-H358 PolarHBondContact SG-NE2 2.84Å; C345-H358 PolarHBondContact SG-CE1 3.4Å; C345-H358 PolarHBondContact SG-NE2 3.14Å; F349-H358 HydrophobicContact CE1-CB 4.29Å; F349-H358 HydrophobicContact CE2-CB 3.88Å; F349-H358 AromaticContact CE2-CD2 3.31Å; F349-H358 WeakPolarHBondContact CE2-CD2 3.41Å; F349-H358 AromaticContact CE2-CG 3.72Å; F349-H358 HydrophobicContact CZ-CB 3.58Å; F349-H358 AromaticContact CZ-CD2 3.42Å; F349-H358 VanDerWaalsContact CZ-CD2 3.42Å; F349-H358 WeakPolarHBondContact CZ-CD2 3.46Å; F349-H358 AromaticContact CZ-CG 3.4Å; F349-H358 VanDerWaalsContact CZ-CG 3.4Å; E354-H358 WeakPolarHBondContact O-CB 3.24Å; E354-H358 PolarHBondContact O-N 2.91Å; L355-H358 PolarHBondContact O-N 2.85Å; H358-R360 PolarHBondContact O-N 3.17Å; H358-R360 VanDerWaalsContact O-N 3.14Å; H358-T361 PolarHBondContact ND1-OG1 2.84Å; H358-T361 WeakPolarHBondContact O-CB 3.47Å; H358-T361 PolarHBondContact O-N 2.83Å; H358-T361 PolarHBondContact O-OG1 3.03Å; H358-H362 AromaticContact CE1-CE1 3.86Å; H358-H362 AromaticContact CE1-NE2 3.29Å; H358-H362 PolarHBondContact CE1-NE2 3.27Å; H358-H362 VanDerWaalsContact CE1-NE2 3.29Å; H358-H362 AromaticContact NE2-CD2 4Å; H358-H362 AromaticContact NE2-NE2 3.15Å; H358-H362 PolarHBondContact NE2-NE2 2.87Å; H358-H362 VanDerWaalsContact NE2-NE2 3.15Å
359L75.7Confident73.4Confident52 Ų5267.6 Ų67.627%0.27234%0.342SS..Hα-helixtrans-57.9-30.2175.9-73.7167.1000112.3L355 T361 H362 T363L355-L359 HydrophobicContact CD1-CD1 4.1Å; L355-L359 HydrophobicContact CD1-CD2 4.46Å; L355-L359 HydrophobicContact CD1-CG 3.98Å; L355-L359 HydrophobicContact CG-CD1 4.01Å; L355-L359 HydrophobicContact CG-CG 4.36Å; L355-L359 WeakPolarHBondContact O-CG 3.5Å; L355-L359 PolarHBondContact O-N 2.85Å; L359-T361 PolarHBondContact O-N 3.43Å; L359-H362 PolarHBondContact O-N 2.82Å; L359-H362 VanDerWaalsContact O-N 3.16Å; L359-T363 PolarHBondContact O-N 3.49Å
360R75.6Confident73.8Confident99 Ų9966.2 Ų66.237%0.37434%0.336SS..Hα-helixtrans-67.3-21.7174.2-61.1167.4-164.7-179.6-0.1113.5Q356 R357 H358 H362 T363 G364 M378Q356-R360 WeakPolarHBondContact O-CG 3.34Å; Q356-R360 PolarHBondContact O-NE 2.9Å; R357-R360 WeakPolarHBondContact O-CB 3.41Å; R357-R360 PolarHBondContact O-N 3.35Å; H358-R360 PolarHBondContact O-N 3.17Å; H358-R360 VanDerWaalsContact O-N 3.14Å; R360-H362 VanDerWaalsContact C-N 3.25Å; R360-H362 PolarHBondContact O-N 3.3Å; R360-T363 WeakPolarHBondContact CA-OG1 3.27Å; R360-T363 PolarHBondContact O-N 3.34Å; R360-T363 PolarHBondContact O-OG1 3.26Å; R360-G364 PolarHBondContact O-N 3.18Å; R360-M378 VanDerWaalsContact C-SD 3.57Å; R360-M378 HydrophobicContact CB-CG 4.24Å; R360-M378 HydrophobicContact CB-SD 4.1Å; R360-M378 VanDerWaalsContact O-SD 3.34Å
361T73.7Confident74.3Confident71 Ų7169.1 Ų69.144%0.43636%0.355SS..Hα-helixtrans-71.8-23.4174.775.90000111.9H358 L359 M378H358-T361 PolarHBondContact ND1-OG1 2.84Å; H358-T361 WeakPolarHBondContact O-CB 3.47Å; H358-T361 PolarHBondContact O-N 2.83Å; H358-T361 PolarHBondContact O-OG1 3.03Å; L359-T361 PolarHBondContact O-N 3.43Å; T361-M378 HydrophobicContact CG2-CE 3.74Å; T361-M378 HydrophobicContact CG2-SD 4Å
362H72.3Confident74.7Confident50 Ų5068.8 Ų68.823%0.23136%0.364CS..Hα-helixtrans-81.9-32.4173.6-61.5-58.9000112.3C340 W342 C345 H358 L359 R360C340-H362 PolarHBondContact SG-NE2 3.34Å; W342-H362 AromaticContact CD1-CE1 3.89Å; W342-H362 AromaticContact CD1-ND1 3.88Å; W342-H362 HydrophobicContact CD2-CB 3.8Å; W342-H362 AromaticContact CD2-CG 3.63Å; W342-H362 AromaticContact CD2-ND1 3.88Å; W342-H362 HydrophobicContact CE3-CB 3.56Å; W342-H362 AromaticContact CE3-CG 3.81Å; W342-H362 AromaticContact CG-CD2 3.94Å; W342-H362 AromaticContact CG-CE1 3.81Å; W342-H362 AromaticContact CG-CG 3.85Å; W342-H362 AromaticContact CG-ND1 3.8Å; W342-H362 AromaticContact CG-NE2 3.92Å; W342-H362 HydrophobicContact CH2-CB 3.97Å; W342-H362 HydrophobicContact CZ2-CB 4.2Å; W342-H362 HydrophobicContact CZ3-CB 3.65Å; W342-H362 AromaticContact NE1-ND1 4Å; C345-H362 PolarHBondContact SG-CE1 3.28Å; C345-H362 PolarHBondContact SG-NE2 3.25Å; H358-H362 AromaticContact CE1-CE1 3.86Å; H358-H362 AromaticContact CE1-NE2 3.29Å; H358-H362 PolarHBondContact CE1-NE2 3.27Å; H358-H362 VanDerWaalsContact CE1-NE2 3.29Å; H358-H362 AromaticContact NE2-CD2 4Å; H358-H362 AromaticContact NE2-NE2 3.15Å; H358-H362 PolarHBondContact NE2-NE2 2.87Å; H358-H362 VanDerWaalsContact NE2-NE2 3.15Å; L359-H362 PolarHBondContact O-N 2.82Å; L359-H362 VanDerWaalsContact O-N 3.16Å; R360-H362 VanDerWaalsContact C-N 3.25Å; R360-H362 PolarHBondContact O-N 3.3Å
363T69.4Low75.3Confident85 Ų8567.9 Ų67.952%0.52136%0.358SS..Hα-helixtrans-84.8-10.6177.862.60000114.2L359 R360 E365L359-T363 PolarHBondContact O-N 3.49Å; R360-T363 WeakPolarHBondContact CA-OG1 3.27Å; R360-T363 PolarHBondContact O-N 3.34Å; R360-T363 PolarHBondContact O-OG1 3.26Å; T363-E365 PolarHBondContact O-N 2.96Å
364G64.8Low75.5Confident47 Ų4771 Ų7149%0.48537%0.374SS..  trans66.94177.200000115.8R360 K366R360-G364 PolarHBondContact O-N 3.18Å; G364-K366 PolarHBondContact O-N 3.41Å
365E60.6Low75.6Confident80 Ų8073.1 Ų73.137%0.37438%0.382SS..  trans-69.497.4-170-70.4-172.2133.800113.7T363 R367T363-E365 PolarHBondContact O-N 2.96Å; E365-R367 HydrophobicContact CB-CG 4.11Å; E365-R367 PolarHBondContact O-N 3.34Å; E365-R367 IonicContact OE1-CZ 3.67Å; E365-R367 IonicContact OE1-NE 3.23Å; E365-R367 IonicContact OE1-NH2 3.56Å; E365-R367 PolarHBondContact OE1-NH2 3.22Å; E365-R367 IonicContact OE2-CZ 3.17Å; E365-R367 IonicContact OE2-NE 3.72Å; E365-R367 PolarHBondContact OE2-NE 3.29Å; E365-R367 IonicContact OE2-NH2 2.73Å; E365-R367 PolarHBondContact OE2-NH2 3.23Å
366K69.2Low75.6Confident77 Ų7779.8 Ų79.834%0.33541%0.406SS..  trans-77.480.5171-61.3172.2-176.2171.90110G364 R376 F377 D405G364-K366 PolarHBondContact O-N 3.41Å; K366-R376 HydrophobicContact CB-CB 3.65Å; K366-R376 PolarHBondContact O-NE 3.25Å; K366-R376 PolarHBondContact O-NH2 3.04Å; K366-F377 CarbonylContact C-O 3.59Å; K366-D405 IonicContact NZ-OD1 2.76Å; K366-D405 PolarHBondContact NZ-OD1 3.28Å
367R71.5Confident75.8Confident166 Ų16677 Ų7763%0.62639%0.392SS*.  trans-77.8-18.3-174.5-67.2-173.6177-124.6-1.2116E365 F377E365-R367 HydrophobicContact CB-CG 4.11Å; E365-R367 PolarHBondContact O-N 3.34Å; E365-R367 IonicContact OE1-CZ 3.67Å; E365-R367 IonicContact OE1-NE 3.23Å; E365-R367 IonicContact OE1-NH2 3.56Å; E365-R367 PolarHBondContact OE1-NH2 3.22Å; E365-R367 IonicContact OE2-CZ 3.17Å; E365-R367 IonicContact OE2-NE 3.72Å; E365-R367 PolarHBondContact OE2-NE 3.29Å; E365-R367 IonicContact OE2-NH2 2.73Å; E365-R367 PolarHBondContact OE2-NH2 3.23Å; R367-F377 PolarHBondContact N-O 3Å
368F74.5Confident75.7Confident70 Ų7077 Ų7731%0.30740%0.396SS..EExtended strand (participates in β ladder)trans-108.2101.1-171.6-62.2-78.5000111.9R376 F377 L383F368-R376 CarbonylContact O-C 3.58Å; F368-R376 WeakPolarHBondContact O-CA 3.39Å; F368-F377 HydrophobicContact CB-CB 4.32Å; F368-F377 WeakPolarHBondContact CB-O 3.49Å; F368-F377 PolarHBondContact N-O 3.43Å; F368-F377 PolarHBondContact O-N 2.9Å; F368-L383 HydrophobicContact CB-CB 4.26Å; F368-L383 HydrophobicContact CB-CD2 3.87Å
369A80.8Confident75.5Confident54 Ų5479.7 Ų79.745%0.44641%0.405SS..EExtended strand (participates in β ladder)trans-84.6145.6177.600000112.7K375 R376A369-K375 CarbonylContact C-O 3.38Å; A369-R376 HydrophobicContact CB-CG 4.4Å
370C83.5Confident75.7Confident0 Ų080.3 Ų80.30%041%0.413CS..  trans-81.4124.6169.2-175.80000111.1V372 N374 K375 F377 L383 H386C370-V372 PolarHBondContact O-N 3.41Å; C370-N374 WeakPolarHBondContact O-CA 2.96Å; C370-N374 PolarHBondContact O-N 2.76Å; C370-K375 PolarHBondContact N-O 2.92Å; C370-F377 HydrophobicContact CB-CE2 4.29Å; C370-L383 HydrophobicContact CB-CD1 3.82Å; C370-H386 VanDerWaalsContact SG-CD2 3.53Å
371P79.8Confident76Confident102 Ų10278.1 Ų78.166%0.66241%0.409SS*.THydrogen-bonded Turntrans-69-15.1-179.328.5-35.6000113.8
372V81.3Confident76.5Confident93 Ų9377.6 Ų77.656%0.56440%0.402SS*.THydrogen-bonded Turntrans-92.9-30.8-176.8-174.20000112.6C370 H390C370-V372 PolarHBondContact O-N 3.41Å; V372-H390 HydrophobicContact CB-CB 4.48Å; V372-H390 HydrophobicContact CG1-CB 4.14Å; V372-H390 HydrophobicContact CG2-CB 4.4Å
373C84.2Confident77.1Confident48 Ų4876.3 Ų76.332%0.32440%0.396SS..THydrogen-bonded Turntrans-143.214.3-175.671.90000114.7K375 H386 H390C373-K375 PolarHBondContact O-N 2.69Å; C373-H386 PolarHBondContact SG-NE2 3.08Å; C373-H390 VanDerWaalsContact SG-CE1 3.6Å; C373-H390 PolarHBondContact SG-NE2 3.49Å; C373-H390 VanDerWaalsContact SG-NE2 3.39Å
374N79.9Confident77.8Confident127 Ų12775.3 Ų75.368%0.67939%0.393SS*.  trans54.75.8177.3-65.7-35.4000117.2C370 R376C370-N374 WeakPolarHBondContact O-CA 2.96Å; C370-N374 PolarHBondContact O-N 2.76Å; N374-R376 PolarHBondContact O-N 2.87Å
375K78.7Confident78.7Confident112 Ų11279 Ų7949%0.48740%0.396SS..  trans-58.1127.8173.6-72.4-177.2-177.4-69.50110.4A369 C370 C373 F377A369-K375 CarbonylContact C-O 3.38Å; C370-K375 PolarHBondContact N-O 2.92Å; C373-K375 PolarHBondContact O-N 2.69Å; K375-F377 HydrophobicContact CB-CE2 3.89Å; K375-F377 HydrophobicContact CB-CZ 4.09Å; K375-F377 WeakPolarHBondContact O-CD2 3.28Å; K375-F377 VanDerWaalsContact O-CE2 3.3Å; K375-F377 WeakPolarHBondContact O-CE2 3.36Å
376R78.5Confident79.9Confident163 Ų16376.8 Ų76.862%0.61539%0.385SS*.EExtended strand (participates in β ladder)trans-97.5131.1-176.4-6017763.2173.21.6111K366 F368 A369 N374K366-R376 HydrophobicContact CB-CB 3.65Å; K366-R376 PolarHBondContact O-NE 3.25Å; K366-R376 PolarHBondContact O-NH2 3.04Å; F368-R376 CarbonylContact O-C 3.58Å; F368-R376 WeakPolarHBondContact O-CA 3.39Å; A369-R376 HydrophobicContact CB-CG 4.4Å; N374-R376 PolarHBondContact O-N 2.87Å
377F79.1Confident80.6Confident46 Ų4675.9 Ų75.920%0.20238%0.384CS..EExtended strand (participates in β ladder)trans-117.2149-179.8-60.2-88.9000110.6K366 R367 F368 C370 K375 R379 H382 L383 H386K366-F377 CarbonylContact C-O 3.59Å; R367-F377 PolarHBondContact N-O 3Å; F368-F377 HydrophobicContact CB-CB 4.32Å; F368-F377 WeakPolarHBondContact CB-O 3.49Å; F368-F377 PolarHBondContact N-O 3.43Å; F368-F377 PolarHBondContact O-N 2.9Å; C370-F377 HydrophobicContact CB-CE2 4.29Å; K375-F377 HydrophobicContact CB-CE2 3.89Å; K375-F377 HydrophobicContact CB-CZ 4.09Å; K375-F377 WeakPolarHBondContact O-CD2 3.28Å; K375-F377 VanDerWaalsContact O-CE2 3.3Å; K375-F377 WeakPolarHBondContact O-CE2 3.36Å; F377-R379 VanDerWaalsContact C-N 3.35Å; F377-H382 HydrophobicContact CD1-CB 3.97Å; F377-L383 HydrophobicContact CB-CB 4.38Å; F377-L383 HydrophobicContact CD2-CB 4.06Å; F377-L383 HydrophobicContact CD2-CD1 3.93Å; F377-L383 HydrophobicContact CE2-CD1 4.16Å; F377-L383 HydrophobicContact CG-CB 4.34Å; F377-H386 HydrophobicContact CE1-CB 4.2Å; F377-H386 HydrophobicContact CE2-CB 4.1Å; F377-H386 AromaticContact CE2-CD2 3.37Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.16Å; F377-H386 AromaticContact CE2-CG 3.81Å; F377-H386 HydrophobicContact CZ-CB 3.64Å; F377-H386 AromaticContact CZ-CD2 3.39Å; F377-H386 WeakPolarHBondContact CZ-CD2 3.49Å; F377-H386 AromaticContact CZ-CG 3.37Å
378M76.1Confident81.3Confident60 Ų6074.8 Ų74.830%0.29638%0.383SS..SBendtrans-81.4-15.1174.1-178166.645.100112.8R360 T361R360-M378 VanDerWaalsContact C-SD 3.57Å; R360-M378 HydrophobicContact CB-CG 4.24Å; R360-M378 HydrophobicContact CB-SD 4.1Å; R360-M378 VanDerWaalsContact O-SD 3.34Å; T361-M378 HydrophobicContact CG2-CE 3.74Å; T361-M378 HydrophobicContact CG2-SD 4Å
379R75.9Confident81.7Confident72 Ų7275.7 Ų75.727%0.27239%0.394SS..SBendtrans-134142.5-178.3-60.1166.744.8171.8-2.9112R357 F377 D381 H382 L383R357-R379 HydrophobicContact CG-CG 4.26Å; F377-R379 VanDerWaalsContact C-N 3.35Å; R379-D381 WeakPolarHBondContact CB-OD1 3.42Å; R379-D381 IonicContact CZ-OD1 3.55Å; R379-D381 IonicContact CZ-OD2 2.85Å; R379-D381 IonicContact NE-OD1 3.48Å; R379-D381 PolarHBondContact NE-OD1 2.82Å; R379-D381 IonicContact NE-OD2 2.75Å; R379-D381 VanDerWaalsContact NH2-CG 3.33Å; R379-D381 IonicContact NH2-OD1 3.41Å; R379-D381 PolarHBondContact NH2-OD1 3.06Å; R379-D381 IonicContact NH2-OD2 2.7Å; R379-D381 PolarHBondContact NH2-OD2 3.4Å; R379-H382 VanDerWaalsContact CD-CD2 3.5Å; R379-H382 WeakPolarHBondContact CD-CD2 3.38Å; R379-H382 WeakPolarHBondContact CD-NE2 3.31Å; R379-H382 PolarHBondContact NE-NE2 3.15Å; R379-H382 PolarHBondContact NH1-NE2 3.06Å; R379-H382 PolarHBondContact O-N 3.45Å; R379-L383 PolarHBondContact O-N 3.14Å
380S80.1Confident81.6Confident64 Ų6476.5 Ų76.545%0.44839%0.389SS..Hα-helixtrans-68-31.8178.651.20000113.2L383 S384S380-L383 WeakPolarHBondContact O-CB 3.47Å; S380-L383 PolarHBondContact O-N 2.87Å; S380-S384 PolarHBondContact O-N 2.79Å; S380-S384 PolarHBondContact O-OG 3.23Å
381D82.1Confident81.1Confident54 Ų5482.2 Ų82.229%0.28942%0.424SS..Hα-helixtrans-71.4-34.4178.668.3-63.7000112.7R379 S384 K385R379-D381 WeakPolarHBondContact CB-OD1 3.42Å; R379-D381 IonicContact CZ-OD1 3.55Å; R379-D381 IonicContact CZ-OD2 2.85Å; R379-D381 IonicContact NE-OD1 3.48Å; R379-D381 PolarHBondContact NE-OD1 2.82Å; R379-D381 IonicContact NE-OD2 2.75Å; R379-D381 VanDerWaalsContact NH2-CG 3.33Å; R379-D381 IonicContact NH2-OD1 3.41Å; R379-D381 PolarHBondContact NH2-OD1 3.06Å; R379-D381 IonicContact NH2-OD2 2.7Å; R379-D381 PolarHBondContact NH2-OD2 3.4Å; D381-S384 PolarHBondContact O-N 2.76Å; D381-K385 WeakPolarHBondContact O-CG 3.32Å; D381-K385 PolarHBondContact O-N 3.3Å
382H83.4Confident80.3Confident59 Ų5981.7 Ų81.727%0.27343%0.429SS..Hα-helixtrans-66.1-43.5169.9-63.5-42.3000111.3F377 R379 S384 K385 H386F377-H382 HydrophobicContact CD1-CB 3.97Å; R379-H382 VanDerWaalsContact CD-CD2 3.5Å; R379-H382 WeakPolarHBondContact CD-CD2 3.38Å; R379-H382 WeakPolarHBondContact CD-NE2 3.31Å; R379-H382 PolarHBondContact NE-NE2 3.15Å; R379-H382 PolarHBondContact NH1-NE2 3.06Å; R379-H382 PolarHBondContact O-N 3.45Å; H382-S384 VanDerWaalsContact C-N 3.35Å; H382-S384 PolarHBondContact O-N 2.79Å; H382-K385 PolarHBondContact O-N 3.15Å; H382-H386 WeakPolarHBondContact O-CB 3.38Å; H382-H386 PolarHBondContact O-N 3.11Å
383L85.8Confident79.1Confident23 Ų2379.7 Ų79.712%0.1243%0.427CS..Hα-helixtrans-57.8-46.2171.7172.862.8000111.3F368 C370 F377 R379 S380 K385 H386 I387F368-L383 HydrophobicContact CB-CB 4.26Å; F368-L383 HydrophobicContact CB-CD2 3.87Å; C370-L383 HydrophobicContact CB-CD1 3.82Å; F377-L383 HydrophobicContact CB-CB 4.38Å; F377-L383 HydrophobicContact CD2-CB 4.06Å; F377-L383 HydrophobicContact CD2-CD1 3.93Å; F377-L383 HydrophobicContact CE2-CD1 4.16Å; F377-L383 HydrophobicContact CG-CB 4.34Å; R379-L383 PolarHBondContact O-N 3.14Å; S380-L383 WeakPolarHBondContact O-CB 3.47Å; S380-L383 PolarHBondContact O-N 2.87Å; L383-K385 VanDerWaalsContact C-N 3.35Å; L383-K385 PolarHBondContact O-N 3.49Å; L383-H386 CarbonylContact O-C 3.16Å; L383-H386 PolarHBondContact O-N 3.3Å; L383-H386 VanDerWaalsContact O-N 3.15Å; L383-I387 HydrophobicContact CD1-CD1 3.76Å; L383-I387 HydrophobicContact CD1-CG1 3.85Å; L383-I387 HydrophobicContact CD2-CD1 4.35Å; L383-I387 HydrophobicContact CG-CD1 3.79Å; L383-I387 HydrophobicContact CG-CG1 4.3Å; L383-I387 WeakPolarHBondContact O-CG1 3.5Å; L383-I387 PolarHBondContact O-N 3.43Å
384S84.3Confident77.8Confident64 Ų6481.6 Ų81.645%0.44846%0.455SS..Hα-helixtrans-64.7-34.6179.3-59.70000113.4S380 D381 H382 K388S380-S384 PolarHBondContact O-N 2.79Å; S380-S384 PolarHBondContact O-OG 3.23Å; D381-S384 PolarHBondContact O-N 2.76Å; H382-S384 VanDerWaalsContact C-N 3.35Å; H382-S384 PolarHBondContact O-N 2.79Å; S384-K388 WeakPolarHBondContact O-CG 3.07Å
385K84.6Confident76.3Confident126 Ų12679.5 Ų79.555%0.54846%0.462SS..Hα-helixtrans-66.9-42.8170.9-73.7174.1178.6-179.30111D381 H382 L383 K388 T389D381-K385 WeakPolarHBondContact O-CG 3.32Å; D381-K385 PolarHBondContact O-N 3.3Å; H382-K385 PolarHBondContact O-N 3.15Å; L383-K385 VanDerWaalsContact C-N 3.35Å; L383-K385 PolarHBondContact O-N 3.49Å; K385-K388 WeakPolarHBondContact O-CB 3.46Å; K385-K388 PolarHBondContact O-N 3.13Å; K385-T389 PolarHBondContact O-N 3.29Å
386H85.6Confident75Confident32 Ų3277.6 Ų77.615%0.14848%0.475CS..Hα-helixtrans-70.2-36.4-179.5174.963.3000113.9C370 C373 F377 H382 L383 K388 T389 H390C370-H386 VanDerWaalsContact SG-CD2 3.53Å; C373-H386 PolarHBondContact SG-NE2 3.08Å; F377-H386 HydrophobicContact CE1-CB 4.2Å; F377-H386 HydrophobicContact CE2-CB 4.1Å; F377-H386 AromaticContact CE2-CD2 3.37Å; F377-H386 WeakPolarHBondContact CE2-CD2 3.16Å; F377-H386 AromaticContact CE2-CG 3.81Å; F377-H386 HydrophobicContact CZ-CB 3.64Å; F377-H386 AromaticContact CZ-CD2 3.39Å; F377-H386 WeakPolarHBondContact CZ-CD2 3.49Å; F377-H386 AromaticContact CZ-CG 3.37Å; H382-H386 WeakPolarHBondContact O-CB 3.38Å; H382-H386 PolarHBondContact O-N 3.11Å; L383-H386 CarbonylContact O-C 3.16Å; L383-H386 PolarHBondContact O-N 3.3Å; L383-H386 VanDerWaalsContact O-N 3.15Å; H386-K388 PolarHBondContact O-N 3.41Å; H386-T389 PolarHBondContact O-N 3.49Å; H386-T389 VanDerWaalsContact O-N 3.07Å; H386-T389 PolarHBondContact O-OG1 2.68Å; H386-H390 AromaticContact CD2-NE2 3.84Å; H386-H390 AromaticContact CE1-CE1 4Å; H386-H390 AromaticContact CE1-NE2 3.25Å; H386-H390 PolarHBondContact CE1-NE2 2.83Å; H386-H390 VanDerWaalsContact CE1-NE2 3.25Å; H386-H390 AromaticContact NE2-CD2 3.84Å; H386-H390 AromaticContact NE2-NE2 3.01Å; H386-H390 PolarHBondContact NE2-NE2 3.47Å; H386-H390 PolarHBondContact O-CD2 2.76Å
387I84.1Confident73.5Confident59 Ų5979.6 Ų79.630%0.30349%0.488SS..Hα-helixtrans-59.4-39.4173.5-70.5168.3000110.2L383 T389 H390 T391L383-I387 HydrophobicContact CD1-CD1 3.76Å; L383-I387 HydrophobicContact CD1-CG1 3.85Å; L383-I387 HydrophobicContact CD2-CD1 4.35Å; L383-I387 HydrophobicContact CG-CD1 3.79Å; L383-I387 HydrophobicContact CG-CG1 4.3Å; L383-I387 WeakPolarHBondContact O-CG1 3.5Å; L383-I387 PolarHBondContact O-N 3.43Å; I387-T389 VanDerWaalsContact C-N 3.26Å; I387-T389 PolarHBondContact O-N 3.07Å; I387-H390 WeakPolarHBondContact O-CB 3.43Å; I387-H390 PolarHBondContact O-N 3.41Å; I387-T391 PolarHBondContact O-N 2.96Å; I387-T391 PolarHBondContact O-OG1 3.44Å
388K85.2Confident71.7Confident143 Ų14386.8 Ų86.862%0.62252%0.519SS*.Hα-helixtrans-63.4-27.7176.5-65.3172.4-175.7-171.10113.4S384 K385 H386 H390 T391 A392S384-K388 WeakPolarHBondContact O-CG 3.07Å; K385-K388 WeakPolarHBondContact O-CB 3.46Å; K385-K388 PolarHBondContact O-N 3.13Å; H386-K388 PolarHBondContact O-N 3.41Å; K388-H390 VanDerWaalsContact C-N 3.27Å; K388-H390 PolarHBondContact O-N 3.21Å; K388-T391 PolarHBondContact O-N 3.16Å; K388-A392 WeakPolarHBondContact O-CB 3.46Å; K388-A392 PolarHBondContact O-N 3.35Å
389T81.9Confident70.6Confident88 Ų8887.7 Ų87.754%0.5454%0.544SS..Hα-helixtrans-69.8-24.117559.10000112.8K385 H386 I387K385-T389 PolarHBondContact O-N 3.29Å; H386-T389 PolarHBondContact O-N 3.49Å; H386-T389 VanDerWaalsContact O-N 3.07Å; H386-T389 PolarHBondContact O-OG1 2.68Å; I387-T389 VanDerWaalsContact C-N 3.26Å; I387-T389 PolarHBondContact O-N 3.07Å
390H78.9Confident68.8Low71 Ų7188.1 Ų88.133%0.32956%0.558SS.*Hα-helixtrans-77-30.3170.7-63.7-72.7000112.6V372 C373 H386 I387 K388V372-H390 HydrophobicContact CB-CB 4.48Å; V372-H390 HydrophobicContact CG1-CB 4.14Å; V372-H390 HydrophobicContact CG2-CB 4.4Å; C373-H390 VanDerWaalsContact SG-CE1 3.6Å; C373-H390 PolarHBondContact SG-NE2 3.49Å; C373-H390 VanDerWaalsContact SG-NE2 3.39Å; H386-H390 AromaticContact CD2-NE2 3.84Å; H386-H390 AromaticContact CE1-CE1 4Å; H386-H390 AromaticContact CE1-NE2 3.25Å; H386-H390 PolarHBondContact CE1-NE2 2.83Å; H386-H390 VanDerWaalsContact CE1-NE2 3.25Å; H386-H390 AromaticContact NE2-CD2 3.84Å; H386-H390 AromaticContact NE2-NE2 3.01Å; H386-H390 PolarHBondContact NE2-NE2 3.47Å; H386-H390 PolarHBondContact O-CD2 2.76Å; I387-H390 WeakPolarHBondContact O-CB 3.43Å; I387-H390 PolarHBondContact O-N 3.41Å; K388-H390 VanDerWaalsContact C-N 3.27Å; K388-H390 PolarHBondContact O-N 3.21Å
391T73.2Confident67.2Low120 Ų12093.3 Ų93.374%0.73658%0.581SS**Hα-helixtrans-85.3-27.7-178.7-39.10000113.4I387 K388I387-T391 PolarHBondContact O-N 2.96Å; I387-T391 PolarHBondContact O-OG1 3.44Å; K388-T391 PolarHBondContact O-N 3.16Å
392A64.4Low65.4Low92 Ų9293.9 Ų93.976%0.7659%0.589SS**SBendtrans-96.6-3.9-168.800000115.7K388K388-A392 WeakPolarHBondContact O-CB 3.46Å; K388-A392 PolarHBondContact O-N 3.35Å
393G56.1Low63.4Low51 Ų5198.2 Ų98.253%0.52661%0.614SS.*  trans-158.9107.7-179.900000112.4
394G55.1Low61.3Low88 Ų88101.9 Ų101.991%0.90764%0.638SS**  trans-72155.6172.200000112.3
395G48.9Very low59.2Low82 Ų82104.5 Ų104.585%0.84565%0.647SS**  trans10175.2173.600000113.7
396G51.8Low57.1Low73 Ų73104.1 Ų104.175%0.75366%0.655SS**  trans-72-168.1-171.600000117.4
397K46.3Very low54.9Low204 Ų204107.7 Ų107.789%0.88768%0.684SS**  trans-161.6142.6134.8-107.1159.7-170.4176.20111
398K41.7Very low52.5Low198 Ų198111.3 Ų111.386%0.86170%0.704SS**  trans23.9136.8159.9-74.5-178167.8-176.80119.6S400K398-S400 PolarHBondContact O-N 2.97Å
399G52.7Low50.4Low79 Ų79110.1 Ų110.181%0.81470%0.704SS**  trans-56132.8154.100000110.5
400S39.2Very low47.9Very low81 Ų81113 Ų11357%0.56671%0.711SS**  trans-123122.5152.556.40000105.9K398 S402K398-S400 PolarHBondContact O-N 2.97Å; S400-S402 PolarHBondContact O-N 3.2Å; S400-S402 VanDerWaalsContact O-N 3.13Å
401D46.3Very low45.7Very low172 Ų172114.4 Ų114.492%0.9273%0.725SS**  trans-63.6111.2166-56.6-68.3000107.3
402S43.3Very low43.7Very low67 Ų67114 Ų11447%0.46972%0.724SS.*  trans-152.499.6174.864.20000107.3S400 T404S400-S402 PolarHBondContact O-N 3.2Å; S400-S402 VanDerWaalsContact O-N 3.13Å; S402-T404 PolarHBondContact O-N 3.49Å
403D42.2Very low42.3Very low149 Ų149120.1 Ų120.180%0.79773%0.728SS**  trans-6769.4163.9-72.4-66.3000109.5D405D403-D405 VanDerWaalsContact C-N 3.31Å; D403-D405 PolarHBondContact O-N 3.1Å; D403-D405 VanDerWaalsContact O-N 3.15Å
404T40.8Very low41.1Very low100 Ų100121 Ų12161%0.61373%0.726SS**  trans-80.688.316350.20000107S402 T406S402-T404 PolarHBondContact O-N 3.49Å; T404-T406 PolarHBondContact O-N 2.86Å
405D41.1Very low40Very low119 Ų119124 Ų12464%0.63672%0.717SS**  trans-63.479.6163.4-90.2-25.8000109.1K366 D403 S407K366-D405 IonicContact NZ-OD1 2.76Å; K366-D405 PolarHBondContact NZ-OD1 3.28Å; D403-D405 VanDerWaalsContact C-N 3.31Å; D403-D405 PolarHBondContact O-N 3.1Å; D403-D405 VanDerWaalsContact O-N 3.15Å; D405-S407 PolarHBondContact O-N 3.26Å
406T40.7Very low39.3Very low118 Ų118124.6 Ų124.672%0.72471%0.708SS**  trans-69.275155.939.50000107.7T404 N408T404-T406 PolarHBondContact O-N 2.86Å; T406-N408 PolarHBondContact O-N 2.75Å
407S40.3Very low38.8Very low108 Ų108127.3 Ų127.376%0.75571%0.712SS**  trans-65.346.5156.152.60000110.1D405 L409D405-S407 PolarHBondContact O-N 3.26Å; S407-L409 PolarHBondContact O-N 3.38Å
408N31.7Very low38Very low135 Ų135125.9 Ų125.972%0.72271%0.708SS**  trans-72.197.6-178.9-156.4-16.7000107.3T406 E410T406-N408 PolarHBondContact O-N 2.75Å; N408-E410 VanDerWaalsContact C-N 3.26Å; N408-E410 PolarHBondContact O-N 2.79Å
409L42.8Very low37.6Very low118 Ų118125 Ų12562%0.61871%0.712SS**  trans-71.784.2-176-161.878.5000107.8S407 T411S407-L409 PolarHBondContact O-N 3.38Å; L409-T411 PolarHBondContact O-N 2.87Å; L409-T411 PolarHBondContact O-OG1 3.11Å
410E27.7Very low36.7Very low147 Ų147127.7 Ų127.769%0.68771%0.707SS**  trans-61.381.5163.4-78.7-167.8111.800108.1N408 P412N408-E410 VanDerWaalsContact C-N 3.26Å; N408-E410 PolarHBondContact O-N 2.79Å; E410-P412 VanDerWaalsContact O-CD 3.29Å; E410-P412 WeakPolarHBondContact O-CD 3.41Å
411T32.8Very low36.5Very low101 Ų101132 Ų13262%0.6272%0.722SS**  trans-58116167.9-59.40000106.3L409 R413L409-T411 PolarHBondContact O-N 2.87Å; L409-T411 PolarHBondContact O-OG1 3.11Å; T411-R413 PolarHBondContact O-N 3.13Å
412P31.5Very low35.8Very low113 Ų113132.5 Ų132.573%0.73472%0.719SS**  trans-62116.7168.326.2-31.2000106.5E410 S414E410-P412 VanDerWaalsContact O-CD 3.29Å; E410-P412 WeakPolarHBondContact O-CD 3.41Å; P412-S414 VanDerWaalsContact C-N 3.29Å; P412-S414 PolarHBondContact O-N 3.48Å
413R34.6Very low35.2Very low219 Ų219132.6 Ų132.683%0.82673%0.731SS**  trans-55.894.8172.7-85.5-172.1172.5-153.33.5109.1T411 E415T411-R413 PolarHBondContact O-N 3.13Å; R413-E415 IonicContact NH1-OE1 3.49Å; R413-E415 PolarHBondContact NH1-OE1 3.46Å
414S32.3Very low35Very low71 Ų71132.7 Ų132.750%0.49774%0.736SS.*  trans-89.392.6154.255.50000106.3P412 S416P412-S414 VanDerWaalsContact C-N 3.29Å; P412-S414 PolarHBondContact O-N 3.48Å; S414-S416 PolarHBondContact O-N 3.07Å; S414-S416 VanDerWaalsContact O-N 3.13Å
415E32.5Very low34.8Very low151 Ų151135.1 Ų135.171%0.70675%0.745SS**  trans-60.6112.5163.8-70.5167164.200107R413R413-E415 IonicContact NH1-OE1 3.49Å; R413-E415 PolarHBondContact NH1-OE1 3.46Å
416S32.8Very low34.9Very low94 Ų94135 Ų13566%0.65775%0.752SS**  trans-130.5135.7170.2-71.50000106.3S414S414-S416 PolarHBondContact O-N 3.07Å; S414-S416 VanDerWaalsContact O-N 3.13Å
417P41Very low34.5Very low130 Ų130140 Ų14084%0.84476%0.757SS**  trans-69.2137.2-167.827.2-34.5000111.8
418E30.7Very low34.3Very low173 Ų173143.1 Ų143.181%0.80876%0.763SS**  trans-65.9141.5168.9-62.4-176.3123.600110.4
419L33.7Very low34.4Very low179 Ų179141.5 Ų141.594%0.93776%0.759SS**  trans-116.7115154.3-74-180000107.5
420I33Very low34Very low137 Ų137141.8 Ų141.870%0.70377%0.765SS**  trans-78.7131.1179.6-61.6166.2000108.7
421L34.1Very low34.3Very low171 Ų171143.8 Ų143.890%0.89577%0.771SS**  trans-155.6108.1148.1-109.7140.5000108.9
422E32.6Very low34.5Very low183 Ų183145.9 Ų145.986%0.85578%0.779SS**  trans-61155.7159.2-52.8-167.7118.100108.6
423G31.1Very low35.2Very low69 Ų69146.3 Ų146.371%0.71178%0.781SS**  cis145.31498.300000107.8
424V36.8Very low35.3Very low151 Ų151141.1 Ų141.192%0.91578%0.779SS**  trans-167.4135.4160.3137.90000108.3
425N37.8Very low36.3Very low150 Ų150142.7 Ų142.780%0.80279%0.787SS**  trans-87.2153.1-177.3-112.1-50.9000112.2
426P43.6Very low36.3Very low118 Ų118143.3 Ų143.377%0.76679%0.79SS**  trans-86.3125.5169.333.5-29.1000111.1
427R31.7Very low36.7Very low223 Ų223145.8 Ų145.884%0.84280%0.796SS**  trans-154.2110165.5-164.7173.6-174172.12.3111.8
428I35.6Very low36.2Very low172 Ų172148.3 Ų148.388%0.88280%0.796SS**  trans-123.1111.5162-60.7179.6000107.7
429T34.7Very low37.8Very low102 Ų102148.9 Ų148.963%0.62682%0.815SS**  trans-102.7152.1153.8470000105.8
430V34.3Very low38Very low123 Ų123147.4 Ų147.475%0.74581%0.809SS**  -176.3149.869.5169.10000106.2
431K33.6Very low38.2Very low189 Ų189147.9 Ų147.982%0.82281%0.814SS**  154.5109.4115.3-153.2139.7-171.4174.70114.4
432D35.8Very low38.5Very low146 Ų146146.7 Ų146.778%0.78181%0.81SS**  trans-75.5156.5155.2-59.4-61.6000110.1
433P46Very low38.8Very low121 Ų121144.5 Ų144.579%0.78681%0.807SS**  -145.2141.9100.936.6-21.1000115.9
434S38.1Very low39.3Very low111 Ų111149.3 Ų149.378%0.77681%0.813SS**  trans-79170.7151.9-530000109.8
435P52.2Low39.5Very low103 Ų103149.1 Ų149.167%0.66981%0.807SS**  cis-136.717717.142.2-24.2000116.1
436H33.4Very low39.6Very low164 Ų164149.1 Ų149.176%0.75981%0.807SS**  173.1128.5122.5-96.5-70.9000113
437D40.6Very low39.3Very low147 Ų147151.5 Ų151.579%0.78681%0.81SS**  trans31.2141.7147.9-55.3-58.7000125.1
438E31.8Very low39.9Very low183 Ų183145.5 Ų145.586%0.85581%0.807SS**  trans-71.3177.5167.7-98.7-159.1170.200113.7
439P62.6Low40.3Very low185 Ų185143.1 Ų143.1100%1.20180%0.801SS**  cis-127.4016.142.4-27.1000117.8

Retrieved 439 of 439 residues in 529.7 ms (Link to these results)