A0A077YW20_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YW20, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 983 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.7Very low46.1Very low219 Ų219133.4 Ų133.4100%1.07979%0.793SS**  0116.20-65.5-47.9-169.500106.4
2D54.1Low45.2Very low131 Ų131131.6 Ų131.670%0.70178%0.783SS**  trans58.199.5154-38.8-32.5000115.6
3I42.1Very low45Very low141 Ų141134.2 Ų134.272%0.72379%0.79SS**  cis64.7128.942.8-33.8155.3000108.5
4V47.7Very low44.5Very low131 Ų131135.9 Ų135.979%0.79479%0.793SS**  cis-143.8160.445.1-172.50000113.1
5D43.4Very low44.1Very low133 Ų133135.1 Ų135.171%0.71180%0.795SS**  trans-61.3163.9178.8-43.4-93.6000117.3
6S53Low43.6Very low126 Ų126133 Ų13388%0.88179%0.79SS**  -156.3106.6121.7-10.60000111.8
7V38.2Very low43.2Very low132 Ų132132.5 Ų132.580%0.879%0.788SS**  trans-110.1139.3160171.70000107.2V9V7-V9 HydrophobicContact CG1-CG2 4.04Å
8S51Low43.2Very low123 Ų123134.3 Ų134.386%0.8678%0.784SS**  trans-119.7118.1168.1-172.30000109.1
9V41.1Very low43.3Very low127 Ų127133.9 Ų133.977%0.7777%0.774SS**  trans-127.1137.8168.9170.30000106.9V7V7-V9 HydrophobicContact CG1-CG2 4.04Å
10G50.5Low43.4Very low63 Ų63136.2 Ų136.265%0.64978%0.777SS**  trans167.3164.7158.800000112
11D38.4Very low44.1Very low141 Ų141133.2 Ų133.275%0.75478%0.777SS**  cis-173.4152.9-35.3-121-22.1000107.7
12V35.6Very low44Very low112 Ų112131.7 Ų131.768%0.67977%0.767SS**  trans45.3111.7144.8-178.10000119
13L42.2Very low44.4Very low165 Ų165132.9 Ų132.986%0.86477%0.773SS**  -169.8153.6109.6-99.7-179.9000112.8
14L38.5Very low44.8Very low159 Ų159134.6 Ų134.683%0.83278%0.778SS**  trans-102.9151.2169.9-6788.8000110.7
15C37.4Very low45.4Very low123 Ų123136 Ų13683%0.83178%0.781SS**  trans159.7163.5146.6-93.20000110
16S36.5Very low45.9Very low102 Ų102136.7 Ų136.771%0.71379%0.785SS**  cis172140.9-34.9-95.50000108.3
17V36.4Very low45.7Very low125 Ų125137.7 Ų137.776%0.75878%0.778SS**  trans65.1124.4159.2178.20000119.3
18K44.5Very low46.5Very low164 Ų164136.7 Ų136.771%0.71377%0.773SS**  165.9114.5114.8-154.5152.8175.864.60108.7
19E45.2Very low46.1Very low127 Ų127138 Ų13859%0.59377%0.766SS**  51.1139.692.4-52.7162.717200113
20E45Very low46.4Very low180 Ų180144 Ų14484%0.84178%0.775SS**  cis-164.316915.3-133.2159-146.500110
21G57.6Low46Very low74 Ų74146.8 Ų146.876%0.76378%0.779SS**  trans144.2118.8167.700000115.4
22E45.9Very low46.2Very low186 Ų186144.6 Ų144.687%0.86978%0.781SS**  trans-119-149.3-171.1-60.7179.4118.900112.5
23D62.3Low46.5Very low157 Ų157150.9 Ų150.984%0.8479%0.792SS**  trans77.893.7-173.8-51.9-23.1000114.2
24E51.2Low46.5Very low177 Ų177148.8 Ų148.883%0.82779%0.789SS**  68.4117.855.9-65.4-89.184.700115.2
25D59.6Low46.7Very low159 Ų159149.1 Ų149.185%0.8579%0.79SS**  177124.2127.9-98.2-16000114.7
26D54.1Low46.8Very low148 Ų148148.7 Ų148.779%0.79179%0.789SS**  trans34.6103.2157.1-97.2-43.4000125.2
27M48.3Very low47Very low148 Ų148151.1 Ų151.173%0.72979%0.793SS**  14.3171.4103.8-77.2-73.2-84.700121.8
28P54.6Low47.7Very low110 Ų110151.5 Ų151.571%0.71480%0.798SS**  cis-131.3166.51.437.5-19.9000117.8
29E42.7Very low47.5Very low151 Ų151148.3 Ų148.371%0.70680%0.797SS**  trans-70.9166.6164.3-61.2-178.3101.800114.4
30R47.8Very low47.4Very low254 Ų254147.5 Ų147.596%0.95881%0.805SS**  trans-139.8121149.3-85.1-162.2170.9-163.7-2.5113.3
31T42.6Very low47.3Very low120 Ų120146.5 Ų146.574%0.73681%0.805SS**  trans-124.3118.6-172.9-56.40000111
32A42.8Very low46.7Very low95 Ų95146.5 Ų146.579%0.78580%0.797SS**  trans-156.799.7177.100000116.1
33R42Very low46.7Very low244 Ų244145.1 Ų145.192%0.92180%0.796SS**  trans29140.5140.2-62.4-178.8174.4-176.7-2.4122.7
34P40.9Very low46Very low122 Ų122146.5 Ų146.579%0.79280%0.797SS**  trans-93.2158.7171.138.5-35.2000114.3
35L43.3Very low46Very low165 Ų165146.2 Ų146.286%0.86480%0.796SS**  trans-149.3126.2167.3-85.8176.7000114.1
36S40.1Very low45.3Very low115 Ų115144.5 Ų144.580%0.80479%0.791SS**  trans58.1141.6136.8-56.20000124.8
37L41.1Very low44.7Very low153 Ų153144.2 Ų144.280%0.80179%0.789SS**  trans-68.4171.5176.5-59.8162.6000114.6
38P50.9Low44.4Very low132 Ų132143.7 Ų143.786%0.85779%0.794SS**  -130-178108.739-32.8000114.7
39S40.1Very low43.5Very low98 Ų98143.1 Ų143.169%0.68579%0.793SS**  trans-132.3176.4-157.8-47.70000115.1
40S42.6Very low43.4Very low110 Ų110144 Ų14477%0.76980%0.801SS**  trans77.6157.4168.578.20000116.6
41L42.9Very low43.5Very low159 Ų159137.7 Ų137.783%0.83279%0.791SS**  cis-154.7163.322.6-165.681.5000112.5
42A45.9Very low43.7Very low74 Ų74137.4 Ų137.461%0.61279%0.791SS**  trans78.279.9154.300000121.5
43D45.5Very low44.3Very low157 Ų157138.6 Ų138.684%0.8479%0.791SS**  51.4160.4103.1-54.6-55.6000125.3
44E47.9Very low44.9Very low185 Ų185132.9 Ų132.986%0.86479%0.785SS**  trans72.7149.5173.8-66.9-158.8121.100120.8
45E50.8Low45.1Very low172 Ų172133.2 Ų133.280%0.80479%0.787SS**  -163.8177.7-68-108.6-139.6142.700110.3
46V45.3Very low45Very low123 Ų123130.1 Ų130.175%0.74579%0.786SS**  trans56.997.6168.9-1640000116.8
47N41.4Very low45Very low142 Ų142134 Ų13476%0.75979%0.791SS**  70.2115.156.3-168.122.7000116.5
48V40.7Very low45Very low136 Ų136133.7 Ų133.782%0.82480%0.796SS**  179.3143.9125.5148.10000109.6
49S36.7Very low44.4Very low98 Ų98132.5 Ų132.569%0.68580%0.797SS**  trans-132.1146.8-178.4174.50000110.8
50L40.6Very low44.4Very low169 Ų169133 Ų13389%0.88581%0.807SS**  trans-168.4164.7152.8-107.8156.8000113
51V49.2Very low44.1Very low122 Ų122132.5 Ų132.574%0.73981%0.81SS**  trans-119.9142.5-162.1175.30000111.7
52P47.8Very low43.9Very low115 Ų115130.6 Ų130.675%0.74781%0.81SS**  trans-96.4150.1-178.736.5-35000115
53P53.9Low43.8Very low120 Ų120132.8 Ų132.878%0.77982%0.815SS**  trans-103.5166.1166.137.4-31.4000114.3
54P55.5Low43.5Very low123 Ų123133.4 Ų133.480%0.79981%0.813SS**  trans-99.1-178.9-170.640-33.6000114.7
55P45.5Very low43.2Very low129 Ų129128.3 Ų128.384%0.83880%0.802SS**  trans-111.1177.7-140.341.5-36.4000117.6
56A41.3Very low42.7Very low100 Ų100129 Ų12983%0.82681%0.806SS**  trans-109174177.200000113.4
57Q40Very low42.3Very low197 Ų197128.4 Ų128.492%0.92181%0.806SS**  trans-87.5156.3-167.4-59.5168.72.100113.9
58T39.5Very low42.4Very low147 Ų147126 Ų12690%0.90280%0.8SS**  trans-115.2134.716238.80000110.7
59A38.6Very low42.4Very low107 Ų107127.9 Ų127.988%0.88480%0.8SS**  trans-98.9153.3171.200000110.5
60A41Very low42.7Very low109 Ų109131.9 Ų131.990%0.90181%0.808SS**  trans-125.1135.617100000109.4
61A35.4Very low42.4Very low99 Ų99131.1 Ų131.182%0.81881%0.805SS**  trans-108.2139.5-174.500000112.3
62S39.8Very low42.6Very low119 Ų119130.9 Ų130.983%0.83281%0.806SS**  trans-175.7148.7170.5-80.20000107.8
63V42.6Very low42.2Very low119 Ų119133.4 Ų133.472%0.72181%0.812SS**  cis-154-175.4-9.4113.80000108.3
64E40.3Very low41.8Very low170 Ų170133.6 Ų133.679%0.79482%0.816SS**  trans-53.6173.6175.8-46.5143101.600114.1
65A41.4Very low41Very low78 Ų78133.4 Ų133.465%0.64582%0.818SS**  cis-162.4160.415.400000113.8
66Q40.6Very low40.9Very low187 Ų187133.3 Ų133.387%0.87482%0.82SS**  trans52148.3139.6-67.5179.91.200124.8
67C37.3Very low40.8Very low111 Ų111133.5 Ų133.575%0.7582%0.816SS**  trans105.589.8137.9-131.60000121.3
68S41.5Very low41.1Very low92 Ų92131.5 Ų131.564%0.64381%0.81SS**  75.4128.4121.6-60.30000124.3
69Q42.1Very low41.2Very low175 Ų175130.7 Ų130.782%0.81880%0.8SS**  trans62.4109.2135.2-65.8-177.3-12.300121.1
70Q42.2Very low41.3Very low181 Ų181132 Ų13285%0.84679%0.793SS**  176.7129.498.4-95.3174.311.300112.6
71D35.3Very low41.4Very low153 Ų153133.4 Ų133.482%0.81878%0.784SS**  trans-80.8162.9153.3-67.8-65.6000109.5
72P52.8Low41.7Very low118 Ų118134.8 Ų134.877%0.76678%0.783SS**  -141.915010737.7-26.1000115.4
73L39.7Very low41.8Very low167 Ų167133.3 Ų133.387%0.87477%0.773SS**  trans-67.5152.7162.1-65.4166.2000110.8
74S45Very low41.9Very low124 Ų124134.3 Ų134.387%0.86778%0.779SS**  trans-145.6108.4162.2-71.10000110.3
75S38.3Very low42Very low120 Ų120133.2 Ų133.284%0.83978%0.778SS**  trans-127.3137169.252.50000108.9
76S43.6Very low42.3Very low126 Ų126134.9 Ų134.988%0.88179%0.785SS**  trans-146.3118.1-178.5590000111.6
77S39.9Very low42.3Very low105 Ų105134.8 Ų134.873%0.73478%0.782SS**  trans-119.9134.9172.352.70000109.7
78L45.6Very low43Very low155 Ų155135.3 Ų135.381%0.81278%0.784SS**  trans-149.3134.5154.1-83.8113.5000105.5
79D42.3Very low43.1Very low129 Ų129135.8 Ų135.869%0.6979%0.788SS**  70.3139.165-47.2-35.5000111
80D40.8Very low43.3Very low135 Ų135132.2 Ų132.272%0.72279%0.788SS**  cis-162.9172.59.5-145.7-19000114
81L42.4Very low43.4Very low138 Ų138132.6 Ų132.672%0.72379%0.79SS**  trans69.1147.1149.9-67.7174.4000125.4
82T43.3Very low44.4Very low128 Ų128130.4 Ų130.479%0.78578%0.784SS**  trans78.1151.4159.369.80000120.9
83S41.1Very low44.3Very low89 Ų89129.5 Ų129.562%0.62279%0.786SS**  178.9149.1-62.248.70000111.7
84T44.8Very low44.6Very low139 Ų139126.9 Ų126.985%0.85378%0.782SS**  trans63.6165.2168.564.50000117.4
85D41.4Very low45Very low147 Ų147126.2 Ų126.279%0.78678%0.775SS**  cis-171.1-179.6-41.2-166.51.4000107.1
86S48.3Very low45.2Very low113 Ų113125.4 Ų125.479%0.7977%0.769SS**  trans99.7127.9162.2-50.80000119.8
87K40.4Very low45.2Very low185 Ų185125.1 Ų125.180%0.80477%0.767SS**  trans-119.8137.2178.7144-169.3174.4-172.60108.6
88P52.8Low45.4Very low123 Ų123124 Ų12480%0.79976%0.764SS**  -148.5160.5110.628.2-7.5000113.8
89S43.7Very low45.5Very low102 Ų102125.9 Ų125.971%0.71377%0.771SS**  cis112.398.117.2-175.90000114.2
90A45.7Very low45.8Very low100 Ų100124.1 Ų124.183%0.82677%0.774SS**  trans167.8158.3152.400000109.2
91Q45.3Very low46.6Very low188 Ų188123.1 Ų123.188%0.87978%0.775SS**  cis-176.6167.8-43.2-110.9-138.3-65.100105.6
92P55.4Low46.8Very low108 Ų108123.5 Ų123.570%0.70178%0.778SS**  trans-126-178.5-142.944.5-34.4000117
93A50.7Low47.2Very low98 Ų98127.3 Ų127.381%0.8178%0.778SS**  trans-149.2156.8157.400000112.8
94S45.9Very low48Very low113 Ų113129.1 Ų129.179%0.7978%0.781SS**  trans-148.3-159.3179.4-49.40000107.3
95P52.4Low48.4Very low110 Ų110129.4 Ų129.471%0.71478%0.777SS**  cis-139.8-165.3-12.239.2-17.7000115.1
96S43.3Very low48.8Very low102 Ų102127.8 Ų127.871%0.71378%0.778SS**  trans66.9138.3155.945.10000120
97S43.9Very low49Very low120 Ų120125.9 Ų125.984%0.83978%0.775SS**  cis82.2140.331.3-148.60000113.4
98A42.8Very low49.6Very low82 Ų82125 Ų12568%0.67877%0.772SS**  cis-159.7-177.419.300000114.8
99M49.4Very low49.6Very low194 Ų194126.9 Ų126.996%0.95677%0.77SS**  trans86157152.7-71.6-176.9169.900122.9
100A47.2Very low49.8Very low92 Ų92130.6 Ų130.676%0.7678%0.778SS**  trans-155.2-160.4-17600000107.3
101P59.1Low50.1Low114 Ų114130.6 Ų130.674%0.7477%0.77SS**  cis-134.8-164.4-16.535.6-12.9000114.2
102D46.1Very low50.1Low147 Ų147130.9 Ų130.979%0.78677%0.768SS**  trans94.7153.4138.9-121.8-31.9000123.6
103R52.1Low49.7Very low207 Ų207131 Ų13178%0.78177%0.772SS**  trans70.2149167.9-63.5-172.9124.7119.610.2120
104D56.8Low49.7Very low127 Ų127131.5 Ų131.568%0.67977%0.769SS**  cis-155.2160-9.8-111-24.4000112.6
105D54.3Low49.8Very low146 Ų146131.5 Ų131.578%0.78177%0.769SS**  trans5.5120.6158.1-154.16.6000120.2
106S49Very low49.7Very low113 Ų113131.6 Ų131.679%0.7977%0.77SS**  160.5173.786.5510000110.4
107G51.9Low49.8Very low72 Ų72135.4 Ų135.474%0.74278%0.778SS**  cis170.7156.4-9.200000114.6
108K53.3Low49.8Very low168 Ų168140.2 Ų140.273%0.7378%0.784SS**  trans57.8114.2160.3-80.7179.9163.1-79.50124.8
109E52.7Low49.8Very low161 Ų161141.3 Ų141.375%0.75279%0.793SS**  85.1150.2126.4-76.1156.7-153.300124
110M48.6Very low49.5Very low180 Ų180137.1 Ų137.189%0.88779%0.79SS**  trans-113.9-169.9-174.6-61.1-161.5-6800109.9
111P52.7Low49.3Very low101 Ų101137.7 Ų137.766%0.65679%0.794SS**  cis-145.7173.5543.8-23.7000119.6
112K45Very low48.6Very low194 Ų194136.9 Ų136.984%0.84380%0.797SS**  trans39.4123.8145.8-63.1167.1-178.2177.70119
113S46.8Very low48.5Very low111 Ų111134.7 Ų134.778%0.77680%0.799SS**  168.9171.879.747.30000114
114S51.3Low48.5Very low107 Ų107131.4 Ų131.475%0.74880%0.802SS**  trans58.994.9164.153.30000122
115S46.9Very low48.6Very low113 Ų113131.1 Ų131.179%0.7981%0.807SS**  8.4160.2117.3-54.60000121.7
116P50.7Low47.9Very low113 Ų113129.2 Ų129.273%0.73481%0.805SS**  cis-140.4-169.1-20.236.6-15.4000115.3
117M45Very low48Very low181 Ų181132 Ų13289%0.89281%0.81SS**  trans71.397.2158.3-71-170.8155.300120.9
118K45Very low48Very low221 Ų221137.4 Ų137.496%0.96182%0.816SS**  -162.2164.8110.2-119.6173.2-178.8174.10112.1
119A41.4Very low48.4Very low105 Ų105133 Ų13387%0.86881%0.811SS**  trans-96141.6-171.500000113.7
120A42.9Very low48.8Very low107 Ų107131.5 Ų131.588%0.88482%0.815SS**  trans-151.5153.8157.600000107.9
121A43Very low49.2Very low104 Ų104134.6 Ų134.686%0.8682%0.817SS**  trans-113145.3-169.700000113.3
122A44.7Very low49.7Very low97 Ų97137.3 Ų137.380%0.80282%0.821SS**  trans-163.3146.1155.500000112.2
123A43.6Very low50.8Low100 Ų100131.5 Ų131.583%0.82680%0.803SS**  trans46.6109.3155.400000120.7
124V53.4Low51.4Low138 Ų138130 Ų13084%0.83680%0.798SS**  trans-126130.8149.7177.10000107.3
125P57.7Low52.2Low122 Ų122128.3 Ų128.379%0.79279%0.786SS**  trans-77.4147.5-178.431.1-34.7000112.4
126S40.7Very low52.9Low105 Ų105128.7 Ų128.773%0.73478%0.775SS**  trans-80.6139.4175.7-177.50000111.9
127L50Low53.4Low173 Ų173130.6 Ų130.691%0.90677%0.774SS**  trans-154.870.4171.5-135.1166.4000109.6
128E52.9Low54.4Low185 Ų185127.4 Ų127.486%0.86476%0.76SS**  trans-93.3118.5-173.4-172.4149.7-154.900111.9
129A62.2Low55.5Low76 Ų76121.1 Ų121.163%0.62874%0.74SS**  trans-122.3133.8175.300000109.6R131A129-R131 PolarHBondContact O-N 3.2Å
130P61.3Low56.8Low128 Ų128119 Ų11983%0.83172%0.719SS**  trans-71.1115.2-169.227.3-34.6000112.1Q132P130-Q132 PolarHBondContact O-N 3.37Å
131R55.8Low58.1Low245 Ų245115.6 Ų115.693%0.92569%0.694SS**  trans-76.7111168.9-74.3-178.3169.9178.9-2.9109.9A129A129-R131 PolarHBondContact O-N 3.2Å
132Q63.8Low59.1Low158 Ų158118.5 Ų118.574%0.73869%0.687SS**  trans-63.5149166.9-74.9-173.5-61.200111.3P130 A134P130-Q132 PolarHBondContact O-N 3.37Å; Q132-A134 PolarHBondContact O-N 3.39Å
133P67.5Low60.5Low73 Ų73118.5 Ų118.547%0.47467%0.673SS.*  trans-73.5125.6-179.230.3-34.6000111.4S135 E136P133-S135 PolarHBondContact O-N 3.45Å; P133-E136 PolarHBondContact O-N 2.93Å
134A60Low62Low80 Ų80119.1 Ų119.166%0.66166%0.662SS**THydrogen-bonded Turntrans-63.5-5.7-176.900000115.2Q132Q132-A134 PolarHBondContact O-N 3.39Å
135S67.9Low62.8Low70 Ų70117.5 Ų117.549%0.4965%0.652SS.*Hα-helixtrans-65.3-33.5176.944.60000113.8P133 L138 V139P133-S135 PolarHBondContact O-N 3.45Å; S135-L138 PolarHBondContact O-N 3.44Å; S135-V139 PolarHBondContact O-N 3.26Å
136E61.3Low64Low121 Ų121113.8 Ų113.857%0.56564%0.635SS**Hα-helixtrans-69.9-39.1-172.7-65.1-177.6177.100112.3P133 L138 V139 S140P133-E136 PolarHBondContact O-N 2.93Å; E136-L138 VanDerWaalsContact C-N 3.32Å; E136-L138 PolarHBondContact O-N 3.42Å; E136-V139 PolarHBondContact O-N 3.47Å; E136-S140 PolarHBondContact O-N 3.1Å; E136-S140 VanDerWaalsContact O-N 3.08Å
137H61Low65.8Low154 Ų154115 Ų11571%0.71363%0.628SS**Hα-helixtrans-64.1-34174.8-81.8-71.9000113.1G141H137-G141 PolarHBondContact O-N 3.41Å
138L65.6Low67.5Low114 Ų114114.6 Ų114.660%0.59761%0.614SS**Hα-helixtrans-67.4-45.3176.7-67.8174.4000111.3S135 E136 S140 G141 F142S135-L138 PolarHBondContact O-N 3.44Å; E136-L138 VanDerWaalsContact C-N 3.32Å; E136-L138 PolarHBondContact O-N 3.42Å; L138-S140 VanDerWaalsContact C-N 3.34Å; L138-S140 PolarHBondContact O-N 3.3Å; L138-G141 PolarHBondContact O-N 3.37Å; L138-F142 WeakPolarHBondContact O-CD2 3.5Å; L138-F142 PolarHBondContact O-N 3.02Å
139V69.3Low69.1Low89 Ų89111 Ų11154%0.53960%0.597SS.*Hα-helixtrans-61.6-42.8177.4177.60000111.1S135 E136 F142 L143S135-V139 PolarHBondContact O-N 3.26Å; E136-V139 PolarHBondContact O-N 3.47Å; V139-F142 PolarHBondContact O-N 3.41Å; V139-L143 HydrophobicContact CG1-CD1 4.13Å; V139-L143 WeakPolarHBondContact O-CG 3.47Å; V139-L143 PolarHBondContact O-N 3.23Å; V139-L143 VanDerWaalsContact O-N 3.07Å
140S68.8Low70.4Confident61 Ų61112.3 Ų112.343%0.42759%0.593SS.*Hα-helixtrans-59.6-47.2175.2-175.20000112.3E136 L138 F142 L143 I144E136-S140 PolarHBondContact O-N 3.1Å; E136-S140 VanDerWaalsContact O-N 3.08Å; L138-S140 VanDerWaalsContact C-N 3.34Å; L138-S140 PolarHBondContact O-N 3.3Å; S140-F142 PolarHBondContact O-N 3.47Å; S140-L143 PolarHBondContact O-N 3.45Å; S140-I144 WeakPolarHBondContact O-CG1 3.39Å; S140-I144 PolarHBondContact O-N 3.08Å; S140-I144 VanDerWaalsContact O-N 3.1Å
141G70.3Confident71.8Confident35 Ų35112.5 Ų112.536%0.36158%0.583SS.*Hα-helixtrans-60.7-44.1177.400000113.5H137 L138 L143 I144 V145H137-G141 PolarHBondContact O-N 3.41Å; L138-G141 PolarHBondContact O-N 3.37Å; G141-L143 PolarHBondContact O-N 3.29Å; G141-I144 PolarHBondContact O-N 3.32Å; G141-V145 WeakPolarHBondContact O-CG2 3.35Å; G141-V145 PolarHBondContact O-N 3.34Å; G141-V145 VanDerWaalsContact O-N 3.16Å
142F63.5Low73.5Confident164 Ų164105.4 Ų105.472%0.71956%0.56SS**Hα-helixtrans-64-38177.1-89.6-73.3000112.9L138 V139 S140 G146L138-F142 WeakPolarHBondContact O-CD2 3.5Å; L138-F142 PolarHBondContact O-N 3.02Å; V139-F142 PolarHBondContact O-N 3.41Å; S140-F142 PolarHBondContact O-N 3.47Å; F142-G146 PolarHBondContact O-N 3.4Å
143L74.4Confident74.7Confident98 Ų98102 Ų10251%0.51355%0.545SS..Hα-helixtrans-65-46.2176.1-72.9169.9000111.8V139 S140 G141 V145 G146 F147V139-L143 HydrophobicContact CG1-CD1 4.13Å; V139-L143 WeakPolarHBondContact O-CG 3.47Å; V139-L143 PolarHBondContact O-N 3.23Å; V139-L143 VanDerWaalsContact O-N 3.07Å; S140-L143 PolarHBondContact O-N 3.45Å; G141-L143 PolarHBondContact O-N 3.29Å; L143-V145 PolarHBondContact O-N 3.02Å; L143-G146 PolarHBondContact O-N 3.26Å; L143-G146 VanDerWaalsContact O-N 3.17Å; L143-F147 HydrophobicContact CB-CE2 4.45Å; L143-F147 WeakPolarHBondContact O-CD2 3.46Å; L143-F147 PolarHBondContact O-N 3Å
144I73.9Confident76Confident113 Ų113104.1 Ų104.158%0.57955%0.549SS*.Hα-helixtrans-61.9-43.3-179.1-66.8165.6000111.4S140 G141 R148S140-I144 WeakPolarHBondContact O-CG1 3.39Å; S140-I144 PolarHBondContact O-N 3.08Å; S140-I144 VanDerWaalsContact O-N 3.1Å; G141-I144 PolarHBondContact O-N 3.32Å; I144-R148 PolarHBondContact O-N 3.34Å
145V71.7Confident77.6Confident104 Ų104105.7 Ų105.763%0.6355%0.546SS*.Hα-helixtrans-65.3-39.7175.4175.20000111.2G141 L143 H149G141-V145 WeakPolarHBondContact O-CG2 3.35Å; G141-V145 PolarHBondContact O-N 3.34Å; G141-V145 VanDerWaalsContact O-N 3.16Å; L143-V145 PolarHBondContact O-N 3.02Å; V145-H149 PolarHBondContact O-N 3.01Å
146G81.7Confident78.9Confident43 Ų43110.1 Ų110.144%0.44355%0.552SS.*Hα-helixtrans-62.2-44.7176.800000113.7F142 L143 L150F142-G146 PolarHBondContact O-N 3.4Å; L143-G146 PolarHBondContact O-N 3.26Å; L143-G146 VanDerWaalsContact O-N 3.17Å; G146-L150 PolarHBondContact O-N 3.32Å; G146-L150 VanDerWaalsContact O-N 3.14Å
147F78.2Confident80.5Confident132 Ų132108.8 Ų108.858%0.57955%0.548SS*.Hα-helixtrans-65.4-46.1178-79.1-65.1000112.4L143 H149 L150 E151L143-F147 HydrophobicContact CB-CE2 4.45Å; L143-F147 WeakPolarHBondContact O-CD2 3.46Å; L143-F147 PolarHBondContact O-N 3Å; F147-H149 VanDerWaalsContact C-N 3.31Å; F147-H149 PolarHBondContact O-N 3.48Å; F147-L150 WeakPolarHBondContact O-CA 3.41Å; F147-L150 VanDerWaalsContact O-CB 3.27Å; F147-L150 WeakPolarHBondContact O-CB 3.4Å; F147-L150 PolarHBondContact O-N 3.5Å; F147-E151 PolarHBondContact O-N 3.42Å
148R85.3Confident82.2Confident163 Ų163106 Ų10662%0.61554%0.537SS*.Hα-helixtrans-60-40.9178.9-178.2176.5172.2157.15.1112.4I144 L150 E151 E152I144-R148 PolarHBondContact O-N 3.34Å; R148-L150 VanDerWaalsContact C-N 3.28Å; R148-L150 PolarHBondContact O-N 3.47Å; R148-E151 PolarHBondContact O-N 3.26Å; R148-E152 WeakPolarHBondContact CG-OE1 3.38Å; R148-E152 IonicContact CZ-OE1 3.84Å; R148-E152 IonicContact NE-OE1 2.94Å; R148-E152 PolarHBondContact NE-OE1 2.96Å; R148-E152 IonicContact NH2-OE1 4Å; R148-E152 WeakPolarHBondContact O-CG 3.17Å; R148-E152 PolarHBondContact O-N 3.16Å
149H87.2Confident83.7Confident110 Ų110108.5 Ų108.551%0.50954%0.543SS..Hα-helixtrans-68.2-28.6176.2-168.356.1000112.8V145 F147 M153V145-H149 PolarHBondContact O-N 3.01Å; F147-H149 VanDerWaalsContact C-N 3.31Å; F147-H149 PolarHBondContact O-N 3.48Å; H149-M153 VanDerWaalsContact O-CB 3.26Å; H149-M153 WeakPolarHBondContact O-CB 3.46Å; H149-M153 PolarHBondContact O-N 3.29Å
150L90Very high84.9Confident104 Ų104108.9 Ų108.955%0.54554%0.539SS..Hα-helixtrans-67.9-41.6173.1-162.480.2000111.7G146 F147 R148 M153 Q154G146-L150 PolarHBondContact O-N 3.32Å; G146-L150 VanDerWaalsContact O-N 3.14Å; F147-L150 WeakPolarHBondContact O-CA 3.41Å; F147-L150 VanDerWaalsContact O-CB 3.27Å; F147-L150 WeakPolarHBondContact O-CB 3.4Å; F147-L150 PolarHBondContact O-N 3.5Å; R148-L150 VanDerWaalsContact C-N 3.28Å; R148-L150 PolarHBondContact O-N 3.47Å; L150-M153 PolarHBondContact O-N 2.97Å; L150-Q154 WeakPolarHBondContact O-CB 3.47Å; L150-Q154 PolarHBondContact O-N 3.47Å
151E90.5Very high86.2Confident131 Ų131109.6 Ų109.661%0.61254%0.536SS*.Hα-helixtrans-64-48.7175.5-67.2177.5153.200111.3F147 R148 M153 Q154 D155F147-E151 PolarHBondContact O-N 3.42Å; R148-E151 PolarHBondContact O-N 3.26Å; E151-M153 VanDerWaalsContact C-N 3.27Å; E151-M153 PolarHBondContact O-N 3.32Å; E151-Q154 PolarHBondContact O-N 3.44Å; E151-Q154 VanDerWaalsContact O-N 3.1Å; E151-D155 PolarHBondContact O-N 3.03Å
152E91.1Very high87.4Confident97 Ų97110.8 Ų110.845%0.45354%0.542SS..Hα-helixtrans-58.6-37.9175.8-70.8168.2-17600111.7R148 W156R148-E152 WeakPolarHBondContact CG-OE1 3.38Å; R148-E152 IonicContact CZ-OE1 3.84Å; R148-E152 IonicContact NE-OE1 2.94Å; R148-E152 PolarHBondContact NE-OE1 2.96Å; R148-E152 IonicContact NH2-OE1 4Å; R148-E152 WeakPolarHBondContact O-CG 3.17Å; R148-E152 PolarHBondContact O-N 3.16Å; E152-W156 WeakPolarHBondContact O-CB 3.49Å; E152-W156 PolarHBondContact O-N 3.28Å
153M89.6Confident88.9Confident87 Ų87107.7 Ų107.743%0.42953%0.533SS..Hα-helixtrans-70.1-38.5174.5-169.1-175.6-53.400112.6H149 L150 E151 W156 I157H149-M153 VanDerWaalsContact O-CB 3.26Å; H149-M153 WeakPolarHBondContact O-CB 3.46Å; H149-M153 PolarHBondContact O-N 3.29Å; L150-M153 PolarHBondContact O-N 2.97Å; E151-M153 VanDerWaalsContact C-N 3.27Å; E151-M153 PolarHBondContact O-N 3.32Å; M153-W156 PolarHBondContact O-N 3.11Å; M153-I157 HydrophobicContact CG-CD1 4.26Å; M153-I157 VanDerWaalsContact O-CG1 3.27Å; M153-I157 WeakPolarHBondContact O-CG1 3.46Å; M153-I157 PolarHBondContact O-N 3.42Å
154Q94.4Very high90Very high117 Ų117110 Ų11055%0.54754%0.535SS..Hα-helixtrans-65.2-45176.9178.9169.5-21.200111.3L150 E151 W156 I157 I158L150-Q154 WeakPolarHBondContact O-CB 3.47Å; L150-Q154 PolarHBondContact O-N 3.47Å; E151-Q154 PolarHBondContact O-N 3.44Å; E151-Q154 VanDerWaalsContact O-N 3.1Å; Q154-W156 VanDerWaalsContact C-N 3.35Å; Q154-W156 PolarHBondContact O-N 3.36Å; Q154-I157 PolarHBondContact O-N 2.94Å; Q154-I158 HydrophobicContact CG-CD1 3.96Å; Q154-I158 VanDerWaalsContact O-CG1 3.31Å; Q154-I158 WeakPolarHBondContact O-CG1 3.44Å; Q154-I158 PolarHBondContact O-N 3.2Å
155D94.7Very high91Very high113 Ų113109.8 Ų109.860%0.60453%0.531SS*.Hα-helixtrans-64.2-38.5174.9-91.81.7000112E151 I158 K159E151-D155 PolarHBondContact O-N 3.03Å; D155-I158 PolarHBondContact O-N 3.17Å; D155-K159 WeakPolarHBondContact O-CB 3.35Å; D155-K159 PolarHBondContact O-N 3.42Å
156W95.2Very high92.2Very high163 Ų163107.4 Ų107.462%0.61752%0.523SS*.Hα-helixtrans-60.9-44.3172.9-175.593.7000112E152 M153 Q154 K159 H160E152-W156 WeakPolarHBondContact O-CB 3.49Å; E152-W156 PolarHBondContact O-N 3.28Å; M153-W156 PolarHBondContact O-N 3.11Å; Q154-W156 VanDerWaalsContact C-N 3.35Å; Q154-W156 PolarHBondContact O-N 3.36Å; W156-K159 PolarHBondContact O-N 3.07Å; W156-H160 WeakPolarHBondContact O-CB 3.37Å; W156-H160 PolarHBondContact O-N 3.4Å
157I95.5Very high92.8Very high93 Ų93109.7 Ų109.748%0.47753%0.528SS..Hα-helixtrans-61.5-46.8176.4-71166.2000110.8M153 Q154 H160 E161M153-I157 HydrophobicContact CG-CD1 4.26Å; M153-I157 VanDerWaalsContact O-CG1 3.27Å; M153-I157 WeakPolarHBondContact O-CG1 3.46Å; M153-I157 PolarHBondContact O-N 3.42Å; Q154-I157 PolarHBondContact O-N 2.94Å; I157-H160 PolarHBondContact O-N 2.89Å; I157-E161 WeakPolarHBondContact O-CB 3.26Å; I157-E161 PolarHBondContact O-N 3.03Å
158I96.3Very high93.7Very high95 Ų95106.2 Ų106.249%0.48752%0.523SS..Hα-helixtrans-62-48179.3-69165.6000110.6Q154 D155 H160 E161 A162Q154-I158 HydrophobicContact CG-CD1 3.96Å; Q154-I158 VanDerWaalsContact O-CG1 3.31Å; Q154-I158 WeakPolarHBondContact O-CG1 3.44Å; Q154-I158 PolarHBondContact O-N 3.2Å; D155-I158 PolarHBondContact O-N 3.17Å; I158-H160 PolarHBondContact O-N 2.92Å; I158-E161 PolarHBondContact O-N 3.45Å; I158-A162 WeakPolarHBondContact O-CB 3.4Å; I158-A162 PolarHBondContact O-N 2.92Å
159K96.5Very high94.2Very high167 Ų167103.8 Ų103.873%0.72652%0.519SS*.Hα-helixtrans-62.8-39.6178.7-171.9177.1-178.3-178.80112.1D155 W156 N163D155-K159 WeakPolarHBondContact O-CB 3.35Å; D155-K159 PolarHBondContact O-N 3.42Å; W156-K159 PolarHBondContact O-N 3.07Å; K159-N163 WeakPolarHBondContact O-CB 3.33Å; K159-N163 PolarHBondContact O-N 2.84Å; K159-N163 VanDerWaalsContact O-N 3.1Å
160H94.5Very high94.7Very high96 Ų96101.5 Ų101.544%0.44452%0.52SS..Hα-helixtrans-71.8-40.3177.8-174.7-82.5000112.4W156 I157 I158 N163 R164W156-H160 WeakPolarHBondContact O-CB 3.37Å; W156-H160 PolarHBondContact O-N 3.4Å; I157-H160 PolarHBondContact O-N 2.89Å; I158-H160 PolarHBondContact O-N 2.92Å; H160-N163 PolarHBondContact O-N 3.17Å; H160-R164 WeakPolarHBondContact O-CB 3.36Å; H160-R164 PolarHBondContact O-N 3.48Å
161E95.5Very high94.9Very high76 Ų76100.7 Ų100.736%0.35552%0.522SS..Hα-helixtrans-65.9-43.8175.6-17360-143.200111.4I157 I158 N163 R164 Q165I157-E161 WeakPolarHBondContact O-CB 3.26Å; I157-E161 PolarHBondContact O-N 3.03Å; I158-E161 PolarHBondContact O-N 3.45Å; E161-N163 VanDerWaalsContact C-N 3.35Å; E161-N163 PolarHBondContact O-N 3.01Å; E161-R164 VanDerWaalsContact CD-CZ 3.46Å; E161-R164 VanDerWaalsContact CD-NH2 3.26Å; E161-R164 WeakPolarHBondContact O-CB 3.44Å; E161-R164 PolarHBondContact O-N 3.3Å; E161-R164 VanDerWaalsContact O-N 3.12Å; E161-R164 IonicContact OE1-CZ 3.79Å; E161-R164 IonicContact OE1-NE 2.65Å; E161-R164 IonicContact OE1-NH1 3.39Å; E161-R164 IonicContact OE1-NH2 2.95Å; E161-R164 PolarHBondContact OE1-NH2 3.06Å; E161-R164 IonicContact OE2-CZ 2.62Å; E161-R164 IonicContact OE2-NE 3.73Å; E161-R164 IonicContact OE2-NH1 2.91Å; E161-R164 PolarHBondContact OE2-NH1 3.21Å; E161-R164 IonicContact OE2-NH2 3.85Å; E161-R164 PolarHBondContact OE2-NH2 3.03Å; E161-R164 VanDerWaalsContact OE2-NH2 3.1Å; E161-Q165 PolarHBondContact O-N 3.43Å
162A95.8Very high95.2Very high60 Ų6099.1 Ų99.150%0.49652%0.517SS..Hα-helixtrans-58.9-43.4174.500000112.2I158 Q165 A166I158-A162 WeakPolarHBondContact O-CB 3.4Å; I158-A162 PolarHBondContact O-N 2.92Å; A162-Q165 PolarHBondContact O-N 3.2Å; A162-A166 PolarHBondContact O-N 2.85Å
163N96.2Very high95.5Very high100 Ų10097.3 Ų97.354%0.53552%0.519SS..Hα-helixtrans-63-42.7173.6-172.617.4000111.7K159 H160 E161 Q165 A166 V167K159-N163 WeakPolarHBondContact O-CB 3.33Å; K159-N163 PolarHBondContact O-N 2.84Å; K159-N163 VanDerWaalsContact O-N 3.1Å; H160-N163 PolarHBondContact O-N 3.17Å; E161-N163 VanDerWaalsContact C-N 3.35Å; E161-N163 PolarHBondContact O-N 3.01Å; N163-Q165 VanDerWaalsContact C-N 3.3Å; N163-Q165 PolarHBondContact O-N 3.05Å; N163-A166 PolarHBondContact O-N 3.28Å; N163-V167 WeakPolarHBondContact O-CG2 3.44Å; N163-V167 PolarHBondContact O-N 3.16Å
164R95.7Very high95.8Very high145 Ų14599.5 Ų99.555%0.54753%0.526SS..Hα-helixtrans-62.2-37.6176.8-159.3-174.978.6-146.4-0.1112H160 E161 A168H160-R164 WeakPolarHBondContact O-CB 3.36Å; H160-R164 PolarHBondContact O-N 3.48Å; E161-R164 VanDerWaalsContact CD-CZ 3.46Å; E161-R164 VanDerWaalsContact CD-NH2 3.26Å; E161-R164 WeakPolarHBondContact O-CB 3.44Å; E161-R164 PolarHBondContact O-N 3.3Å; E161-R164 VanDerWaalsContact O-N 3.12Å; E161-R164 IonicContact OE1-CZ 3.79Å; E161-R164 IonicContact OE1-NE 2.65Å; E161-R164 IonicContact OE1-NH1 3.39Å; E161-R164 IonicContact OE1-NH2 2.95Å; E161-R164 PolarHBondContact OE1-NH2 3.06Å; E161-R164 IonicContact OE2-CZ 2.62Å; E161-R164 IonicContact OE2-NE 3.73Å; E161-R164 IonicContact OE2-NH1 2.91Å; E161-R164 PolarHBondContact OE2-NH1 3.21Å; E161-R164 IonicContact OE2-NH2 3.85Å; E161-R164 PolarHBondContact OE2-NH2 3.03Å; E161-R164 VanDerWaalsContact OE2-NH2 3.1Å; R164-A168 WeakPolarHBondContact O-CB 3.32Å; R164-A168 PolarHBondContact O-N 3.25Å; R164-A168 VanDerWaalsContact O-N 3.09Å
165Q96Very high96Very high109 Ų109102.2 Ų102.251%0.50953%0.531SS..Hα-helixtrans-67.8-46.5174.1-176172.5-25.200111.7E161 A162 N163 V167 A168 E169E161-Q165 PolarHBondContact O-N 3.43Å; A162-Q165 PolarHBondContact O-N 3.2Å; N163-Q165 VanDerWaalsContact C-N 3.3Å; N163-Q165 PolarHBondContact O-N 3.05Å; Q165-V167 VanDerWaalsContact C-N 3.31Å; Q165-V167 PolarHBondContact O-N 3.14Å; Q165-A168 WeakPolarHBondContact O-CA 3.45Å; Q165-A168 WeakPolarHBondContact O-CB 3.27Å; Q165-A168 PolarHBondContact O-N 3.42Å; Q165-E169 HydrophobicContact CG-CG 4.45Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.45Å; Q165-E169 PolarHBondContact NE2-OE1 3.03Å; Q165-E169 WeakPolarHBondContact O-CG 3.47Å; Q165-E169 PolarHBondContact O-N 3.05Å
166A95.6Very high96Very high54 Ų54102.2 Ų102.245%0.44653%0.529SS..Hα-helixtrans-58.3-41.217700000112.5A162 N163 E169 A170A162-A166 PolarHBondContact O-N 2.85Å; N163-A166 PolarHBondContact O-N 3.28Å; A166-E169 PolarHBondContact O-N 3.4Å; A166-A170 WeakPolarHBondContact O-CB 3.39Å; A166-A170 PolarHBondContact O-N 3.42Å
167V95.8Very high96.1Very high92 Ų92100.1 Ų100.156%0.55853%0.526SS*.Hα-helixtrans-65.3-38174171.60000111.9N163 Q165 C171N163-V167 WeakPolarHBondContact O-CG2 3.44Å; N163-V167 PolarHBondContact O-N 3.16Å; Q165-V167 VanDerWaalsContact C-N 3.31Å; Q165-V167 PolarHBondContact O-N 3.14Å; V167-C171 VanDerWaalsContact O-CB 3.24Å; V167-C171 WeakPolarHBondContact O-CB 3.41Å; V167-C171 PolarHBondContact O-N 2.98Å
168A96Very high96.2Very high58 Ų58100.6 Ų100.648%0.47953%0.528SS..Hα-helixtrans-66.9-39.9175.700000112.2R164 Q165 C171 N172R164-A168 WeakPolarHBondContact O-CB 3.32Å; R164-A168 PolarHBondContact O-N 3.25Å; R164-A168 VanDerWaalsContact O-N 3.09Å; Q165-A168 WeakPolarHBondContact O-CA 3.45Å; Q165-A168 WeakPolarHBondContact O-CB 3.27Å; Q165-A168 PolarHBondContact O-N 3.42Å; A168-C171 PolarHBondContact O-N 3.17Å; A168-N172 WeakPolarHBondContact O-CB 3.4Å; A168-N172 PolarHBondContact O-N 2.62Å
169E96.8Very high96.2Very high112 Ų11298.4 Ų98.452%0.52352%0.518SS..Hα-helixtrans-67.9-44.5176.6-71.8176.5-166.900111.7Q165 A166 C171 N172 A173Q165-E169 HydrophobicContact CG-CG 4.45Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.45Å; Q165-E169 PolarHBondContact NE2-OE1 3.03Å; Q165-E169 WeakPolarHBondContact O-CG 3.47Å; Q165-E169 PolarHBondContact O-N 3.05Å; A166-E169 PolarHBondContact O-N 3.4Å; E169-C171 VanDerWaalsContact C-N 3.35Å; E169-C171 PolarHBondContact O-N 3.32Å; E169-N172 PolarHBondContact O-N 3.03Å; E169-A173 PolarHBondContact O-N 2.87Å
170A96.2Very high96.2Very high63 Ų6393.7 Ų93.752%0.52151%0.505SS..Hα-helixtrans-61.2-40.8173.700000112.5A166 A173 K174A166-A170 WeakPolarHBondContact O-CB 3.39Å; A166-A170 PolarHBondContact O-N 3.42Å; A170-A173 PolarHBondContact O-N 3.3Å; A170-K174 PolarHBondContact O-N 3.32Å
171C95.7Very high96.4Very high87 Ų8793.3 Ų93.359%0.58851%0.509SS*.Hα-helixtrans-62.5-41.9174.1-176.20000111.8V167 A168 E169 R175V167-C171 VanDerWaalsContact O-CB 3.24Å; V167-C171 WeakPolarHBondContact O-CB 3.41Å; V167-C171 PolarHBondContact O-N 2.98Å; A168-C171 PolarHBondContact O-N 3.17Å; E169-C171 VanDerWaalsContact C-N 3.35Å; E169-C171 PolarHBondContact O-N 3.32Å; C171-R175 WeakPolarHBondContact O-CB 3.47Å; C171-R175 PolarHBondContact O-N 3.03Å
172N96.3Very high96.5Very high97 Ų9797 Ų9752%0.51952%0.52SS..Hα-helixtrans-66.7-41.1176.5-168.236.5000112A168 E169 R175 M176A168-N172 WeakPolarHBondContact O-CB 3.4Å; A168-N172 PolarHBondContact O-N 2.62Å; E169-N172 PolarHBondContact O-N 3.03Å; N172-R175 WeakPolarHBondContact O-CB 3.26Å; N172-R175 PolarHBondContact O-N 3.06Å; N172-M176 WeakPolarHBondContact O-CG 3.35Å; N172-M176 PolarHBondContact O-N 3.02Å
173A96.7Very high96.6Very high59 Ų5998.2 Ų98.249%0.48852%0.518SS..Hα-helixtrans-59.1-49.7174.800000111.6E169 A170 R175 M176 E177E169-A173 PolarHBondContact O-N 2.87Å; A170-A173 PolarHBondContact O-N 3.3Å; A173-R175 VanDerWaalsContact C-N 3.28Å; A173-R175 PolarHBondContact O-N 2.95Å; A173-M176 WeakPolarHBondContact O-CB 3.4Å; A173-M176 PolarHBondContact O-N 3.35Å; A173-E177 PolarHBondContact O-N 3.32Å
174K97.4Very high96.6Very high134 Ų134101 Ų10158%0.58353%0.525SS*.Hα-helixtrans-62.5-33.6176.3-166.3166-172.2168.90112.5A170 E177 I178A170-K174 PolarHBondContact O-N 3.32Å; K174-E177 PolarHBondContact O-N 2.91Å; K174-I178 HydrophobicContact CG-CD1 4.29Å; K174-I178 WeakPolarHBondContact O-CD1 3.43Å; K174-I178 VanDerWaalsContact O-CG1 3.27Å; K174-I178 WeakPolarHBondContact O-CG1 3.37Å; K174-I178 PolarHBondContact O-N 2.94Å
175R97Very high96.8Very high174 Ų174102 Ų10266%0.65753%0.534SS*.Hα-helixtrans-67.7-35.1172.9-169.8-179.9-174.6-1742.8112.7C171 N172 A173 N179C171-R175 WeakPolarHBondContact O-CB 3.47Å; C171-R175 PolarHBondContact O-N 3.03Å; N172-R175 WeakPolarHBondContact O-CB 3.26Å; N172-R175 PolarHBondContact O-N 3.06Å; A173-R175 VanDerWaalsContact C-N 3.28Å; A173-R175 PolarHBondContact O-N 2.95Å; R175-N179 PolarHBondContact O-N 3.04Å; R175-N179 PolarHBondContact O-ND2 3.4Å
176M95.4Very high96.8Very high113 Ų113100.6 Ų100.656%0.55753%0.527SS*.Hα-helixtrans-70-43174-71.4-63-69.900111.2N172 A173 I178 N179 C180N172-M176 WeakPolarHBondContact O-CG 3.35Å; N172-M176 PolarHBondContact O-N 3.02Å; A173-M176 WeakPolarHBondContact O-CB 3.4Å; A173-M176 PolarHBondContact O-N 3.35Å; M176-I178 PolarHBondContact O-N 3.43Å; M176-N179 PolarHBondContact O-N 3.29Å; M176-N179 VanDerWaalsContact O-N 3.17Å; M176-C180 PolarHBondContact O-N 2.89Å; M176-C180 PolarHBondContact O-SG 3.18Å
177E96.9Very high96.9Very high119 Ų119105.5 Ų105.556%0.55654%0.538SS*.Hα-helixtrans-55.6-51.6173.7-175.5-172.9-168.200112A173 K174 N179 C180 V181A173-E177 PolarHBondContact O-N 3.32Å; K174-E177 PolarHBondContact O-N 2.91Å; E177-N179 VanDerWaalsContact C-N 3.27Å; E177-N179 PolarHBondContact O-N 3.21Å; E177-C180 WeakPolarHBondContact O-CA 3.41Å; E177-C180 WeakPolarHBondContact O-CB 3.38Å; E177-C180 PolarHBondContact O-N 3.14Å; E177-V181 WeakPolarHBondContact O-CG2 3.36Å; E177-V181 PolarHBondContact O-N 3.01Å
178I97.3Very high97Very high102 Ų102104 Ų10452%0.52354%0.535SS..Hα-helixtrans-58.1-39.2177-69.2164.7000111.3K174 M176 V181 R182K174-I178 HydrophobicContact CG-CD1 4.29Å; K174-I178 WeakPolarHBondContact O-CD1 3.43Å; K174-I178 VanDerWaalsContact O-CG1 3.27Å; K174-I178 WeakPolarHBondContact O-CG1 3.37Å; K174-I178 PolarHBondContact O-N 2.94Å; M176-I178 PolarHBondContact O-N 3.43Å; I178-V181 PolarHBondContact O-N 3.32Å; I178-R182 WeakPolarHBondContact O-CB 3.5Å; I178-R182 PolarHBondContact O-N 3.4Å
179N96.9Very high97.1Very high49 Ų49104.9 Ų104.926%0.26254%0.538SS..Hα-helixtrans-67.2-39.6174.3-82.7-58000112.5R175 M176 E177 R182 L183R175-N179 PolarHBondContact O-N 3.04Å; R175-N179 PolarHBondContact O-ND2 3.4Å; M176-N179 PolarHBondContact O-N 3.29Å; M176-N179 VanDerWaalsContact O-N 3.17Å; E177-N179 VanDerWaalsContact C-N 3.27Å; E177-N179 PolarHBondContact O-N 3.21Å; N179-R182 PolarHBondContact O-N 3.1Å; N179-R182 PolarHBondContact OD1-NH2 3.01Å; N179-L183 WeakPolarHBondContact O-CB 3.34Å; N179-L183 VanDerWaalsContact O-CG 3.3Å; N179-L183 WeakPolarHBondContact O-CG 3.31Å; N179-L183 PolarHBondContact O-N 3.32Å
180C96.8Very high97.1Very high68 Ų68105.4 Ų105.446%0.45954%0.539SS..Hα-helixtrans-63.3-41.7174.1-72.50000112.1M176 E177 L183 K184M176-C180 PolarHBondContact O-N 2.89Å; M176-C180 PolarHBondContact O-SG 3.18Å; E177-C180 WeakPolarHBondContact O-CA 3.41Å; E177-C180 WeakPolarHBondContact O-CB 3.38Å; E177-C180 PolarHBondContact O-N 3.14Å; C180-L183 PolarHBondContact O-N 3.26Å; C180-K184 WeakPolarHBondContact O-CB 3.19Å; C180-K184 WeakPolarHBondContact O-CG 3.27Å; C180-K184 PolarHBondContact O-N 3.14Å
181V97.5Very high97.2Very high88 Ų88109.9 Ų109.953%0.53355%0.546SS..Hα-helixtrans-64.1-44.5173.9174.60000110.9E177 I178 L183 K184 K185E177-V181 WeakPolarHBondContact O-CG2 3.36Å; E177-V181 PolarHBondContact O-N 3.01Å; I178-V181 PolarHBondContact O-N 3.32Å; V181-L183 PolarHBondContact O-N 3.07Å; V181-K184 WeakPolarHBondContact O-CB 3.21Å; V181-K184 PolarHBondContact O-N 3.31Å; V181-K185 PolarHBondContact O-N 3.33Å
182R97.8Very high97.3Very high154 Ų154108.7 Ų108.758%0.58154%0.542SS*.Hα-helixtrans-60.8-44.1176.7-169.9170.867.3107.60.6112.1I178 N179 K185 E186I178-R182 WeakPolarHBondContact O-CB 3.5Å; I178-R182 PolarHBondContact O-N 3.4Å; N179-R182 PolarHBondContact O-N 3.1Å; N179-R182 PolarHBondContact OD1-NH2 3.01Å; R182-K185 PolarHBondContact O-N 3.32Å; R182-E186 WeakPolarHBondContact O-CB 3.42Å; R182-E186 PolarHBondContact O-N 3.31Å
183L97.5Very high97.3Very high86 Ų86110.3 Ų110.345%0.4555%0.547SS..Hα-helixtrans-66.6-34.2175.5-72.6168.9000112.6N179 C180 V181 K187N179-L183 WeakPolarHBondContact O-CB 3.34Å; N179-L183 VanDerWaalsContact O-CG 3.3Å; N179-L183 WeakPolarHBondContact O-CG 3.31Å; N179-L183 PolarHBondContact O-N 3.32Å; C180-L183 PolarHBondContact O-N 3.26Å; V181-L183 PolarHBondContact O-N 3.07Å; L183-K187 WeakPolarHBondContact O-CB 3.34Å; L183-K187 WeakPolarHBondContact O-CG 3.37Å; L183-K187 PolarHBondContact O-N 3.18Å
184K98.1Very high97.3Very high157 Ų157116.5 Ų116.568%0.68356%0.558SS**Hα-helixtrans-63.9-48170.3-76.7176.4178.1-178.70111.1C180 V181 E186 K187 A188C180-K184 WeakPolarHBondContact O-CB 3.19Å; C180-K184 WeakPolarHBondContact O-CG 3.27Å; C180-K184 PolarHBondContact O-N 3.14Å; V181-K184 WeakPolarHBondContact O-CB 3.21Å; V181-K184 PolarHBondContact O-N 3.31Å; K184-E186 PolarHBondContact O-N 3.41Å; K184-K187 PolarHBondContact O-N 2.76Å; K184-A188 WeakPolarHBondContact O-CB 3.39Å; K184-A188 PolarHBondContact O-N 2.91Å
185K98.2Very high97.3Very high168 Ų168114.6 Ų114.673%0.7356%0.557SS**Hα-helixtrans-60.9-41.4176.8-171.7174.7-179.4178.50111.9V181 R182 A188 S189V181-K185 PolarHBondContact O-N 3.33Å; R182-K185 PolarHBondContact O-N 3.32Å; K185-A188 PolarHBondContact O-N 3.39Å; K185-S189 WeakPolarHBondContact O-CB 3.28Å; K185-S189 PolarHBondContact O-N 3.43Å
186E97.3Very high97.2Very high78 Ų78114.3 Ų114.336%0.36456%0.56SS.*Hα-helixtrans-65.2-44.6176.7-165.4-163134.700112.2R182 K184 S189 K190R182-E186 WeakPolarHBondContact O-CB 3.42Å; R182-E186 PolarHBondContact O-N 3.31Å; K184-E186 PolarHBondContact O-N 3.41Å; E186-S189 PolarHBondContact O-N 3.48Å; E186-K190 HydrophobicContact CG-CD 4.35Å; E186-K190 WeakPolarHBondContact O-CB 3.38Å; E186-K190 WeakPolarHBondContact O-CG 3.48Å; E186-K190 PolarHBondContact O-N 3.19Å; E186-K190 WeakPolarHBondContact OE1-CE 3.48Å; E186-K190 IonicContact OE1-NZ 3.13Å; E186-K190 PolarHBondContact OE1-NZ 2.91Å
187K98Very high97.3Very high158 Ų158116 Ų11669%0.68756%0.564SS**Hα-helixtrans-62.9-40.1174.5-76.4179.4178.4-175.70112.1L183 K184 K190 K191L183-K187 WeakPolarHBondContact O-CB 3.34Å; L183-K187 WeakPolarHBondContact O-CG 3.37Å; L183-K187 PolarHBondContact O-N 3.18Å; K184-K187 PolarHBondContact O-N 2.76Å; K187-K190 PolarHBondContact O-N 3.36Å; K187-K191 PolarHBondContact O-N 3.41Å
188A97.7Very high97.2Very high60 Ų60115.8 Ų115.850%0.49657%0.567SS.*Hα-helixtrans-63.7-47175.300000111.8K184 K185 K190 K191 A192K184-A188 WeakPolarHBondContact O-CB 3.39Å; K184-A188 PolarHBondContact O-N 2.91Å; K185-A188 PolarHBondContact O-N 3.39Å; A188-K190 PolarHBondContact O-N 2.93Å; A188-K191 WeakPolarHBondContact O-CB 3.38Å; A188-K191 PolarHBondContact O-N 3.37Å; A188-K191 VanDerWaalsContact O-N 3.14Å; A188-A192 PolarHBondContact O-N 2.84Å
189S97.6Very high97.1Very high77 Ų77113.9 Ų113.954%0.53857%0.567SS.*Hα-helixtrans-59-46.5174.9177.40000112K185 E186 K191 A192 H193K185-S189 WeakPolarHBondContact O-CB 3.28Å; K185-S189 PolarHBondContact O-N 3.43Å; E186-S189 PolarHBondContact O-N 3.48Å; S189-K191 VanDerWaalsContact C-N 3.3Å; S189-K191 PolarHBondContact O-N 3.46Å; S189-A192 PolarHBondContact O-N 3.5Å; S189-H193 WeakPolarHBondContact O-CB 3.39Å; S189-H193 PolarHBondContact O-N 3.1Å
190K97.8Very high96.9Very high123 Ų123114 Ų11454%0.53557%0.572SS.*Hα-helixtrans-62.1-32.8175-75.9174.7171.8173.90113E186 K187 A188 R194E186-K190 HydrophobicContact CG-CD 4.35Å; E186-K190 WeakPolarHBondContact O-CB 3.38Å; E186-K190 WeakPolarHBondContact O-CG 3.48Å; E186-K190 PolarHBondContact O-N 3.19Å; E186-K190 WeakPolarHBondContact OE1-CE 3.48Å; E186-K190 IonicContact OE1-NZ 3.13Å; E186-K190 PolarHBondContact OE1-NZ 2.91Å; K187-K190 PolarHBondContact O-N 3.36Å; A188-K190 PolarHBondContact O-N 2.93Å; K190-R194 WeakPolarHBondContact O-CG 3.38Å; K190-R194 PolarHBondContact O-N 2.9Å
191K97.7Very high96.7Very high156 Ų156113.7 Ų113.768%0.67857%0.57SS**Hα-helixtrans-69.1-48172-169.6-179.6180-175.10111.2K187 A188 S189 H193 R194 V195K187-K191 PolarHBondContact O-N 3.41Å; A188-K191 WeakPolarHBondContact O-CB 3.38Å; A188-K191 PolarHBondContact O-N 3.37Å; A188-K191 VanDerWaalsContact O-N 3.14Å; S189-K191 VanDerWaalsContact C-N 3.3Å; S189-K191 PolarHBondContact O-N 3.46Å; K191-H193 PolarHBondContact O-N 3.46Å; K191-R194 PolarHBondContact O-N 3.26Å; K191-V195 WeakPolarHBondContact O-CG2 3.36Å; K191-V195 PolarHBondContact O-N 3.47Å
192A97.3Very high96.4Very high62 Ų62117.4 Ų117.451%0.51258%0.579SS.*Hα-helixtrans-60.3-43.3178.100000112.3A188 S189 R194 V195 K196A188-A192 PolarHBondContact O-N 2.84Å; S189-A192 PolarHBondContact O-N 3.5Å; A192-R194 VanDerWaalsContact C-N 3.34Å; A192-R194 PolarHBondContact O-N 3.39Å; A192-V195 PolarHBondContact O-N 2.88Å; A192-K196 PolarHBondContact O-N 2.96Å
193H96.6Very high96Very high132 Ų132116.8 Ų116.861%0.61158%0.583SS**Hα-helixtrans-62.5-38.1175.5-172.6-64.5000112.5S189 K191 K196 K197S189-H193 WeakPolarHBondContact O-CB 3.39Å; S189-H193 PolarHBondContact O-N 3.1Å; K191-H193 PolarHBondContact O-N 3.46Å; H193-K196 PolarHBondContact O-N 2.88Å; H193-K197 WeakPolarHBondContact O-CB 3.47Å; H193-K197 PolarHBondContact O-N 2.95Å
194R96.6Very high95.5Very high189 Ų189121.6 Ų121.671%0.71360%0.595SS**Hα-helixtrans-64.8-42.8173.5-77179.7176.3-163-1.9111.7K190 K191 A192 K197 N198K190-R194 WeakPolarHBondContact O-CG 3.38Å; K190-R194 PolarHBondContact O-N 2.9Å; K191-R194 PolarHBondContact O-N 3.26Å; A192-R194 VanDerWaalsContact C-N 3.34Å; A192-R194 PolarHBondContact O-N 3.39Å; R194-K197 PolarHBondContact O-N 3.38Å; R194-N198 WeakPolarHBondContact O-CB 3.21Å; R194-N198 VanDerWaalsContact O-CG 3.27Å; R194-N198 PolarHBondContact O-N 3.09Å; R194-N198 PolarHBondContact O-OD1 3.24Å
195V96.7Very high95Very high94 Ų94118.7 Ų118.757%0.5759%0.587SS**Hα-helixtrans-61.2-46.9175.1175.10000111.1K191 A192 K197 N198 A199K191-V195 WeakPolarHBondContact O-CG2 3.36Å; K191-V195 PolarHBondContact O-N 3.47Å; A192-V195 PolarHBondContact O-N 2.88Å; V195-K197 PolarHBondContact O-N 2.96Å; V195-N198 PolarHBondContact O-N 3.35Å; V195-A199 PolarHBondContact O-N 3.28Å
196K96.5Very high94.6Very high167 Ų167118.2 Ų118.273%0.72659%0.585SS**Hα-helixtrans-61.7-41.4177.4-170.7173-177.3176.70112.5A192 H193 A199 S200A192-K196 PolarHBondContact O-N 2.96Å; H193-K196 PolarHBondContact O-N 2.88Å; K196-A199 PolarHBondContact O-N 3.42Å; K196-S200 PolarHBondContact O-N 3.4Å; K196-S200 VanDerWaalsContact O-N 3.11Å
197K96.7Very high94.1Very high148 Ų148117.3 Ų117.364%0.64359%0.591SS**Hα-helixtrans-63.1-43.5175.7-174.1174.5179.7178.90111.8H193 R194 V195 S200 S201H193-K197 WeakPolarHBondContact O-CB 3.47Å; H193-K197 PolarHBondContact O-N 2.95Å; R194-K197 PolarHBondContact O-N 3.38Å; V195-K197 PolarHBondContact O-N 2.96Å; K197-S200 PolarHBondContact O-N 3.4Å; K197-S201 PolarHBondContact O-N 2.9Å; K197-S201 VanDerWaalsContact O-N 3.1Å
198N95.3Very high93.4Very high115 Ų115113.3 Ų113.362%0.61559%0.587SS**Hα-helixtrans-68.1-38-179.9-69.414.8000112.1R194 V195 S201 K202R194-N198 WeakPolarHBondContact O-CB 3.21Å; R194-N198 VanDerWaalsContact O-CG 3.27Å; R194-N198 PolarHBondContact O-N 3.09Å; R194-N198 PolarHBondContact O-OD1 3.24Å; V195-N198 PolarHBondContact O-N 3.35Å; N198-S201 PolarHBondContact O-N 3.12Å; N198-K202 PolarHBondContact O-N 3.47Å
199A94.8Very high92.7Very high62 Ų62118.2 Ų118.251%0.51260%0.602SS.*Hα-helixtrans-61.7-48.3174.600000111.8V195 K196 S201 K202 E203V195-A199 PolarHBondContact O-N 3.28Å; K196-A199 PolarHBondContact O-N 3.42Å; A199-S201 VanDerWaalsContact C-N 3.29Å; A199-S201 PolarHBondContact O-N 3.36Å; A199-K202 PolarHBondContact O-N 3.26Å; A199-E203 PolarHBondContact O-N 3.18Å; A199-E203 VanDerWaalsContact O-N 3.16Å
200S93Very high91.9Very high53 Ų53121.4 Ų121.437%0.37161%0.613SS.*Hα-helixtrans-65.9-27.6179.1-176.70000113.5K196 K197 R204K196-S200 PolarHBondContact O-N 3.4Å; K196-S200 VanDerWaalsContact O-N 3.11Å; K197-S200 PolarHBondContact O-N 3.4Å; S200-R204 PolarHBondContact O-N 3.1Å
201S91.5Very high90.7Very high61 Ų61121.7 Ų121.743%0.42763%0.625SS.*Hα-helixtrans-63.3-54.2169.6-162.10000110.6K197 N198 A199 E203 R204 D205K197-S201 PolarHBondContact O-N 2.9Å; K197-S201 VanDerWaalsContact O-N 3.1Å; N198-S201 PolarHBondContact O-N 3.12Å; A199-S201 VanDerWaalsContact C-N 3.29Å; A199-S201 PolarHBondContact O-N 3.36Å; S201-E203 PolarHBondContact O-N 3.34Å; S201-E203 VanDerWaalsContact O-N 3.12Å; S201-R204 WeakPolarHBondContact O-CA 3.35Å; S201-R204 WeakPolarHBondContact O-CB 3.44Å; S201-R204 PolarHBondContact O-N 3.48Å; S201-D205 VanDerWaalsContact C-OD2 3.24Å; S201-D205 PolarHBondContact O-N 3.42Å; S201-D205 PolarHBondContact OG-OD2 3.1Å
202K91.3Very high89.3Confident165 Ų165117.8 Ų117.872%0.71763%0.629SS**Hα-helixtrans-60.3-28.5-176.5-170.4173.6-178.9179.70113.3N198 A199 K206N198-K202 PolarHBondContact O-N 3.47Å; A199-K202 PolarHBondContact O-N 3.26Å; K202-K206 PolarHBondContact O-N 3.13Å; K202-K206 VanDerWaalsContact O-N 3.1Å
203E89.2Confident87.8Confident142 Ų142117.9 Ų117.966%0.66464%0.635SS**Hα-helixtrans-69.4-44173-173.7170.8-145.800112.3A199 S201 K206 A207A199-E203 PolarHBondContact O-N 3.18Å; A199-E203 VanDerWaalsContact O-N 3.16Å; S201-E203 PolarHBondContact O-N 3.34Å; S201-E203 VanDerWaalsContact O-N 3.12Å; E203-K206 PolarHBondContact O-N 3.26Å; E203-A207 PolarHBondContact O-N 3.42Å
204R88Confident86.2Confident186 Ų186120.7 Ų120.770%0.70265%0.649SS**Hα-helixtrans-65.3-41.2173-70.1-179.7174.9-158.2-4.6112.2S200 S201 K206 A207 A208S200-R204 PolarHBondContact O-N 3.1Å; S201-R204 WeakPolarHBondContact O-CA 3.35Å; S201-R204 WeakPolarHBondContact O-CB 3.44Å; S201-R204 PolarHBondContact O-N 3.48Å; R204-K206 PolarHBondContact O-N 3.45Å; R204-A207 PolarHBondContact O-N 2.83Å; R204-A208 WeakPolarHBondContact O-CB 3.3Å; R204-A208 PolarHBondContact O-N 3.11Å
205D88Confident84.6Confident96 Ų96120.8 Ų120.851%0.51366%0.66SS.*Hα-helixtrans-63.1-32.8177.9-56.2-36.4000111.1S201S201-D205 VanDerWaalsContact C-OD2 3.24Å; S201-D205 PolarHBondContact O-N 3.42Å; S201-D205 PolarHBondContact OG-OD2 3.1Å
206K90Very high83.2Confident159 Ų159122.3 Ų122.369%0.69167%0.669SS**Hα-helixtrans-71.9-46.9171.2-168.8-172.1176.2-164.50112K202 E203 R204 A208 M209K202-K206 PolarHBondContact O-N 3.13Å; K202-K206 VanDerWaalsContact O-N 3.1Å; E203-K206 PolarHBondContact O-N 3.26Å; R204-K206 PolarHBondContact O-N 3.45Å; K206-A208 VanDerWaalsContact C-N 3.26Å; K206-A208 PolarHBondContact O-N 3.06Å; K206-M209 PolarHBondContact O-N 3.41Å; K206-M209 VanDerWaalsContact O-N 3.11Å
207A85.4Confident81.5Confident58 Ų58120.3 Ų120.348%0.47967%0.673SS.*Hα-helixtrans-60.7-35.5-179.900000112.5E203 R204 M209 D210E203-A207 PolarHBondContact O-N 3.42Å; R204-A207 PolarHBondContact O-N 2.83Å; A207-M209 PolarHBondContact O-N 3.4Å; A207-D210 PolarHBondContact O-N 3.09Å
208A84.2Confident80Confident75 Ų75121.3 Ų121.362%0.6268%0.682SS**Hα-helixtrans-64.4-22.8176.700000114.1R204 K206R204-A208 WeakPolarHBondContact O-CB 3.3Å; R204-A208 PolarHBondContact O-N 3.11Å; K206-A208 VanDerWaalsContact C-N 3.26Å; K206-A208 PolarHBondContact O-N 3.06Å
209M82.7Confident78.6Confident163 Ų163120.9 Ų120.980%0.80369%0.686SS**Hα-helixtrans-88.7-18.5179.1-66.5-70.9168.600113.3K206 A207K206-M209 PolarHBondContact O-N 3.41Å; K206-M209 VanDerWaalsContact O-N 3.11Å; A207-M209 PolarHBondContact O-N 3.4Å
210D81.2Confident76.6Confident144 Ų144124.4 Ų124.477%0.7770%0.701SS**Hα-helixtrans-84.5-18.2-176.6-133.517.5000112.4A207 G212A207-D210 PolarHBondContact O-N 3.09Å; D210-G212 PolarHBondContact O-N 2.84Å
211V72.2Confident74.8Confident129 Ų129129.6 Ų129.678%0.78272%0.724SS**THydrogen-bonded Turntrans-89.425.8178.2-162.50000111.5G213V211-G213 VanDerWaalsContact C-N 3.27Å; V211-G213 PolarHBondContact O-N 2.9Å
212G68.1Low72.8Confident74 Ų74130.8 Ų130.876%0.76374%0.738SS**  trans-83.812.4178.200000115.2D210D210-G212 PolarHBondContact O-N 2.84Å
213G65.9Low70.7Confident63 Ų63131.1 Ų131.165%0.64975%0.748SS**  trans-91.5126.7-173.600000114.1V211V211-G213 VanDerWaalsContact C-N 3.27Å; V211-G213 PolarHBondContact O-N 2.9Å
214E63.4Low68.7Low192 Ų192127.2 Ų127.290%0.89775%0.745SS**  trans56.867.8155.4-156.3168.6-17600117.2
215M61.8Low66.8Low191 Ų191126.7 Ų126.794%0.94176%0.755SS**  trans-106117.7152.8-89.8-169.7163.900110.8
216T68Low64.8Low125 Ų125133.2 Ų133.277%0.76777%0.773SS**  trans-67.4139.5178.2-50000111.4M218T216-M218 PolarHBondContact O-N 3.38Å; T216-M218 VanDerWaalsContact O-N 3.09Å
217P61.4Low62.9Low125 Ų125135.4 Ų135.481%0.81278%0.782SS**  trans-73104.1178.928.9-34.6000111.6
218M65.1Low61.3Low169 Ų169138.5 Ų138.583%0.83380%0.801SS**  trans-74.9135.9162-76.5-73.5-73.200109.7T216T216-M218 PolarHBondContact O-N 3.38Å; T216-M218 VanDerWaalsContact O-N 3.09Å
219P65.6Low59.4Low107 Ų107139.7 Ų139.770%0.69581%0.811SS**  trans-70157.4178.730.2-35.1000111.9
220V53.7Low57.9Low135 Ų135140.4 Ų140.482%0.81881%0.812SS**  trans-94.4103-179-173.10000109.7A222V220-A222 PolarHBondContact O-N 2.95Å
221D55Low56.4Low162 Ų162141.2 Ų141.287%0.86681%0.814SS**  trans-72.2120.5166-78-43.7000109.7
222A48.9Very low55.3Low86 Ų86138.7 Ų138.771%0.71181%0.814SS**  trans-12089.7-177.300000110.7V220V220-A222 PolarHBondContact O-N 2.95Å
223D47.5Very low54.2Low173 Ų173145.8 Ų145.893%0.92582%0.818SS**  trans-161.7160.3150.8-127.3-33.2000113.6
224G46.5Very low53.6Low59 Ų59151 Ų15161%0.60883%0.83SS**  trans87.882.116300000118.2
225L47.9Very low53Low176 Ų176148.1 Ų148.192%0.92182%0.821SS**  172.6108.1107.8-89.9163.6000111.8
226R45.7Very low52Low232 Ų232142.3 Ų142.388%0.87581%0.81SS**  trans-102.1165.6162.9-75-177.1172.1-167.6-1109.7
227K51.6Low51.1Low205 Ų205144.4 Ų144.489%0.89182%0.816SS**  trans86.6135.8-170-53.6163.2-178176.80111.2
228S50.8Low51.1Low124 Ų124144 Ų14487%0.86781%0.813SS**  cis-128.7148.211.4-62.50000112.5
229A44Very low50.3Low100 Ų100142.1 Ų142.183%0.82681%0.814SS**  trans-151.7117.616800000109.1
230E51.4Low49.2Very low177 Ų177145.3 Ų145.383%0.82782%0.824SS**  trans-158.5153.2172.4-131.2-172.4143.400112.1
231I49.8Very low49Very low161 Ų161146.9 Ų146.983%0.82682%0.822SS**  trans61.5112.1165-53.6163.3000116.2
232G49.7Very low48.5Very low76 Ų76149.9 Ų149.978%0.78482%0.821SS**  trans158.325.9171.600000117.8
233R43.8Very low48.1Very low224 Ų224153.8 Ų153.885%0.84583%0.83SS**  trans-77.5133.3173.5-80.8-168.4-178.7168.3-0.6111.3
234L54.9Low48.1Very low171 Ų171151.9 Ų151.990%0.89582%0.824SS**  trans-145.894.9160.8-144.7158.2000107.1
235D49.9Very low47.9Very low132 Ų132158.1 Ų158.171%0.70683%0.834SS**  trans-77.7154.2-173.2-63.8-75.6000112.2
236G41.4Very low47.9Very low69 Ų69158.7 Ų158.771%0.71183%0.832SS**  trans131.947.6156.900000120.4
237L49.5Very low48.2Very low170 Ų170156.8 Ų156.889%0.8983%0.833SS**  trans-142.1126.4152.8-77.1-177.6000111
238P60Low48.2Very low115 Ų115155 Ų15575%0.74783%0.825SS**  trans-84.6153.8179.533.2-34.4000113.3
239P48.1Very low47.9Very low131 Ų131155 Ų15585%0.85182%0.815SS**  trans-77.9150.5178.2-9.727.6000112.8
240L43.9Very low48.5Very low173 Ų173158.5 Ų158.591%0.90682%0.818SS**  trans-115.970.1-170-145.1176.3000112.6
241E49.6Very low47.9Very low168 Ų168158 Ų15879%0.78582%0.816SS**  trans-137.8146.1167.1-72.4-164.8173.700111.9
242R43.1Very low48.1Very low226 Ų226156 Ų15685%0.85381%0.813SS**  trans8178.9171.7-51.8177.9-173.61623.3118.8
243L41.1Very low47.8Very low168 Ų168156.8 Ų156.888%0.8881%0.807SS**  trans-124.6119.2133-82.4144.5000104.8
244V47.9Very low47.8Very low132 Ų132151.1 Ų151.180%0.880%0.802SS**  73.9137.860-178.10000111.7
245K42.6Very low47.3Very low191 Ų191147.2 Ų147.283%0.8379%0.794SS**  trans-77.8174.6-170.5-66.7171.5170.91780112.9
246E46.5Very low47.3Very low187 Ų187147.1 Ų147.187%0.87480%0.798SS**  trans100.679155.2-53.8-163.4144.800118.5
247E52.8Low47.7Very low192 Ų192150.9 Ų150.990%0.89780%0.802SS**  trans-163.6126.5142.9-106.2174.2152.800105.6
248K51.3Low47.5Very low168 Ų168146.5 Ų146.573%0.7379%0.79SS**  cis89.2104.712.8-153.2177.1-170.1-69.80115.7
249D44.2Very low46.7Very low123 Ų123146 Ų14666%0.65879%0.789SS**  trans54.5116.2158.5-46.6-20000119.8
250I56.6Low46.8Very low174 Ų174145.5 Ų145.589%0.89278%0.784SS**  trans-173.6132.3138-96.3150.4000108.7
251E39.6Very low47.1Very low166 Ų166144.2 Ų144.278%0.77678%0.778SS**  trans-86174.4173.6-64.4-162.615000112.6
252P53.8Low46.9Very low119 Ų119139.5 Ų139.577%0.77377%0.768SS**  -138.7135.395.936.3-24.3000116
253S44Very low47.2Very low93 Ų93136.5 Ų136.565%0.6577%0.769SS**  35.3136.2112.1-1430000118.9
254S42.9Very low47.1Very low106 Ų106135 Ų13574%0.74177%0.767SS**  cis177.7134-7.843.10000111.3
255A45.7Very low47.2Very low88 Ų88133.5 Ų133.573%0.72777%0.769SS**  trans-174.2112.7150.200000108.8
256V49.1Very low47.1Very low130 Ų130134.6 Ų134.679%0.78877%0.773SS**  29133.1100.2-86.50000116.3
257D49.9Very low46.9Very low149 Ų149137.5 Ų137.580%0.79778%0.776SS**  cis-146.3164.528-113.9-46.3000116.9
258A45.2Very low46.4Very low77 Ų77133.1 Ų133.164%0.63677%0.767SS**  trans47.9108.1149.300000120.8
259S43.1Very low46Very low105 Ų105130 Ų13073%0.73477%0.767SS**  66.7131.983.777.50000115
260T49.4Very low45.8Very low121 Ų121129.7 Ų129.774%0.74277%0.774SS**  cis-160.4-174.68.72.70000107.5
261D50.7Low45.2Very low145 Ų145127 Ų12778%0.77577%0.77SS**  cis-152.2-165.613-140.5-53.3000112.7
262A45.3Very low45.9Very low70 Ų70125.2 Ų125.258%0.57977%0.773SS**  trans-71144.7-171.900000117.8
263N49.6Very low45.4Very low162 Ų162124 Ų12487%0.86677%0.773SS**  -157.3147.9100.5-112.5-67.5000113.2
264T39.9Very low45.4Very low137 Ų137125.1 Ų125.184%0.8478%0.781SS**  trans-129.3133.118054.20000111.9
265A48.2Very low45.3Very low101 Ų101130.9 Ų130.984%0.83579%0.786SS**  trans-137.8112.8171.900000109.9
266K42.1Very low45.3Very low213 Ų213129.7 Ų129.793%0.92678%0.783SS**  trans-70.3132173.8-64.1171.7-178.9172.10109.5
267R42.2Very low44.9Very low248 Ų248130.4 Ų130.494%0.93678%0.783SS**  trans-147.6127.5147.5-125.8175.1-177.8-161.9-2.3112.3
268S42.3Very low44.3Very low101 Ų101134.7 Ų134.771%0.70679%0.789SS**  trans-88.7169.6177.8560000111.6
269S42.1Very low44.4Very low103 Ų103138.2 Ų138.272%0.7280%0.797SS**  trans51.4104.2143.760.90000118.9
270S40.9Very low44.3Very low116 Ų116141 Ų14181%0.81180%0.799SS**  179.8124.2108.1580000111.9
271S43.7Very low43.8Very low116 Ų116147.4 Ų147.481%0.81181%0.809SS**  trans-82.5131.3168.1-57.50000110.3A273S271-A273 PolarHBondContact O-N 3.46Å
272P54Low43.3Very low129 Ų129144.8 Ų144.884%0.83880%0.802SS**  trans-77.390.9173.931-33.5000110.5S274P272-S274 PolarHBondContact O-N 2.91Å
273A42.8Very low42.9Very low93 Ų93147.6 Ų147.677%0.76982%0.818SS**  trans-87.779.7169.300000110S271 R275S271-A273 PolarHBondContact O-N 3.46Å; A273-R275 PolarHBondContact O-N 3.4Å
274S44.4Very low42.5Very low118 Ų118144.7 Ų144.783%0.82582%0.816SS**  trans-72.677.517561.50000111P272 G276P272-S274 PolarHBondContact O-N 2.91Å; S274-G276 PolarHBondContact O-N 2.91Å; S274-G276 VanDerWaalsContact O-N 3.17Å
275R40.2Very low42.4Very low226 Ų226144.2 Ų144.285%0.85382%0.818SS**  trans-74.496.6168.7-168.9178.4-168.1170.31107.2A273 D277A273-R275 PolarHBondContact O-N 3.4Å; R275-D277 PolarHBondContact O-N 3.42Å
276G45.5Very low42Very low64 Ų64145.2 Ų145.266%0.6682%0.819SS**  trans-70.5125.9173.700000109.8S274S274-G276 PolarHBondContact O-N 2.91Å; S274-G276 VanDerWaalsContact O-N 3.17Å
277D42.1Very low41.9Very low145 Ų145141 Ų14178%0.77582%0.816SS**  trans-70.3138.8-176.8-65-62000111.9R275R275-D277 PolarHBondContact O-N 3.42Å
278Y37.6Very low41.7Very low238 Ų238132.8 Ų132.893%0.93381%0.81SS**  trans-98.493.6176.1-116.7-86.9000107.5
279D45.7Very low41.5Very low151 Ų151138.4 Ų138.481%0.80782%0.815SS**  trans-102.7154.9176.8-119.8-40.4000112.6
280H41.6Very low41.4Very low165 Ų165138.2 Ų138.276%0.76482%0.82SS**  trans-64.6137.4-173.3-100.8-115.3000113
281W39.6Very low41.8Very low254 Ų254140.9 Ų140.996%0.96282%0.819SS**  trans-129.3130.3139.7-142.8-67.5000110.3
282S40.4Very low41.6Very low90 Ų90144.5 Ų144.563%0.62982%0.823SS**  trans-81.2152.4-167.6-60.40000113.7
283S36.7Very low41.1Very low130 Ų130144.4 Ų144.491%0.90983%0.826SS**  trans-57.3133.9169.8-48.50000112.2
284A39.6Very low41.1Very low100 Ų100144.6 Ų144.683%0.82683%0.827SS**  trans-135.3128.1164.900000109.6
285S37.8Very low40.9Very low127 Ų127146.4 Ų146.489%0.88883%0.827SS**  trans-74.5143.8-171.1-47.90000113.5
286S40.5Very low41.3Very low122 Ų122142.4 Ų142.485%0.85383%0.828SS**  trans-145.1105.815461.80000110.8
287S39.8Very low41Very low124 Ų124142.9 Ų142.987%0.86783%0.832SS**  trans-99.3126.8174.156.70000110.8
288G39.2Very low41.3Very low77 Ų77139.7 Ų139.779%0.79483%0.834SS**  trans159.7151.2173.200000111.2
289R37.4Very low41.8Very low219 Ų219136.8 Ų136.883%0.82684%0.835SS**  cis-153.7126.6-7.7-175.2-176-169.6178.82.5106.6
290A40.9Very low41.9Very low98 Ų98133.5 Ų133.581%0.8184%0.836SS**  trans-79.4131.5172.100000109.1
291E48.9Very low42.1Very low172 Ų172131.3 Ų131.380%0.80484%0.835SS**  trans-102.6132.4179.7-59.4-158.6136.500111.1
292H39.8Very low42.5Very low192 Ų192127.8 Ų127.889%0.88983%0.826SS**  trans-108.1106.2177.3-97.7-66.6000109.6
293S42.1Very low43.1Very low128 Ų128132.1 Ų132.190%0.89584%0.839SS**  trans-175.7153153.6-83.90000109.3
294A43Very low43.3Very low96 Ų96131.7 Ų131.779%0.79384%0.836SS**  cis-131.2173.1300000112.1
295N40.5Very low43.9Very low156 Ų156132.7 Ų132.783%0.83484%0.837SS**  trans-90.9-179.6173.6-166.74.5000110.6
296V47.9Very low44.6Very low143 Ų143134.7 Ų134.787%0.86783%0.829SS**  trans77.7130.7-173.4-169.50000112.7
297G39Very low45Very low73 Ų73138 Ų13875%0.75382%0.823SS**  cis162.3134.3-8.100000111.6
298G50.3Low45.4Very low79 Ų79138.8 Ų138.881%0.81481%0.813SS**  trans-178.5130.3179.300000112.9
299N48Very low45.7Very low177 Ų177139.3 Ų139.395%0.94781%0.81SS**  trans-96.4148.3-174.4-78-39.4000112.9
300G47.9Very low46.5Very low81 Ų81134.8 Ų134.884%0.83581%0.812SS**  trans-152.574.6177.800000113.1
301T45.5Very low46.7Very low119 Ų119137.2 Ų137.273%0.7381%0.811SS**  trans-63.8159.316944.50000112.1
302K47.1Very low46.7Very low180 Ų180138.3 Ų138.378%0.78382%0.816SS**  cis-166.4161.38.8-118.9158.9-170.3172.10108
303M52.2Low46.9Very low181 Ų181138.6 Ų138.689%0.89282%0.818SS**  159.2146.4126.8-84.5-59-114.300111.1
304S42.1Very low47.1Very low121 Ų121136.4 Ų136.485%0.84682%0.815SS**  trans-139.8140.6-162.7-45.80000114.2
305S51.5Low47.3Very low122 Ų122143.6 Ų143.685%0.85382%0.822SS**  trans-168.5152.3159.7-158.80000111.4
306K53.6Low48Very low168 Ų168142.2 Ų142.273%0.7382%0.821SS**  cis179.2149.1-48.9163.1166.1-179177.60109
307R48.7Very low47.9Very low192 Ų192139.3 Ų139.373%0.72581%0.813SS**  trans69.8155.6-179-66.6171.9-166.6-97.111.6114.6
308E48.9Very low48.4Very low141 Ų141145.8 Ų145.866%0.65982%0.82SS**  cis-153.6130.3-12.2-110.5147.4-172.800106.8
309A45.5Very low48Very low87 Ų87147.6 Ų147.672%0.71982%0.82SS**  80.9104.174.400000115.7
310S53.7Low48Very low125 Ų125144.1 Ų144.187%0.87482%0.816SS**  trans-171141.3145.2-81.50000111.5
311D45.3Very low47.4Very low149 Ų149150.8 Ų150.880%0.79782%0.816SS**  trans-90.3158.5-178.8-59.2-88.8000113.5
312Q48.9Very low47.7Very low194 Ų194152.9 Ų152.991%0.90782%0.822SS**  -174.1162103.4-97-178.137.900113.1
313Q43.7Very low47.1Very low199 Ų199150.1 Ų150.193%0.9382%0.816SS**  trans-105.9143.9-171.2-61.5175.6-4.900112.2
314G46Very low46.9Very low81 Ų81149.7 Ų149.784%0.83582%0.816SS**  trans-147.2129165.600000110.2
315R47.8Very low46.6Very low248 Ų248149.2 Ų149.294%0.93681%0.813SS**  trans-115.9161-173.5-100.5-166.6171.4-162.7-0.6113.3
316P53.8Low46.3Very low126 Ų126149.5 Ų149.582%0.81882%0.815SS**  trans-102.1179.2-157.640.8-39.1000114.5
317A45.9Very low45.9Very low83 Ų83146.8 Ų146.869%0.68682%0.817SS**  trans-144.3129.1164.700000112.9
318K50.1Low46Very low209 Ų209143.1 Ų143.191%0.90982%0.818SS**  trans52.3156.7133.3-58.9172.8-175.1175.80120.7
319S41.9Very low45.8Very low116 Ų116146.6 Ų146.681%0.81183%0.831SS**  cis174.8123.4-26.2173.10000108.1
320A47.3Very low45.4Very low104 Ų104146.9 Ų146.986%0.8683%0.833SS**  trans-167.4145.4155.900000111.7
321R36.4Very low45Very low222 Ų222150.3 Ų150.384%0.83884%0.835SS**  trans-152.3131.2172.9166.8-170.2174.1-169.2-0.3106.8
322L50.3Low45.3Very low163 Ų163149 Ų14985%0.85384%0.835SS**  trans-164.6123158.3-110.9168.4000110.3
323D34.8Very low45.4Very low122 Ų122145 Ų14565%0.65283%0.828SS**  trans-75159.4160.4-56.1-87.8000110
324L48.1Very low45.4Very low171 Ų171143 Ų14390%0.89582%0.822SS**  trans-169.2147136.8-106.8169.7000111
325S36.5Very low45.6Very low112 Ų112145.3 Ų145.378%0.78382%0.82SS**  trans-124.8149.1-178.958.20000111.4
326S45.3Very low45.3Very low127 Ų127140.4 Ų140.489%0.88881%0.812SS**  trans-164166.8164.549.40000111.2
327S44.2Very low44.4Very low111 Ų111139.5 Ų139.578%0.77681%0.808SS**  trans-148.9-164.8-170.8-161.20000109.7
328P50.6Low44.4Very low116 Ų116145.5 Ų145.575%0.75382%0.819SS**  -113.5176.1-92.938.9-26.7000113.7
329K44.8Very low44Very low214 Ų214140 Ų14093%0.9381%0.812SS**  trans-156.5157.2159.1-133.2161-174170.10113.2
330A37.2Very low44Very low93 Ų93139.8 Ų139.877%0.76981%0.81SS**  trans-142.4157-175.700000112.1
331Q45.6Very low43.7Very low196 Ų196142.4 Ų142.492%0.91681%0.809SS**  trans-151.1157.4162.8-79.7-155.9-39.500112.6
332P51Low44Very low121 Ų121136.6 Ų136.679%0.78680%0.803SS**  trans-132.3170-173.143.4-28.3000117.4
333S52Low43.8Very low110 Ų110133.7 Ų133.777%0.76979%0.793SS**  trans-159.3137.7157.244.30000108.2
334I43.6Very low44Very low157 Ų157135.1 Ų135.181%0.80580%0.8SS**  cis96.3147.541.5-67.5168.3000112
335V50.3Low43.8Very low130 Ų130131.9 Ų131.979%0.78880%0.797SS**  trans87.8126.8-175.7-1750000114.1
336D40.7Very low43.9Very low145 Ų145131.2 Ų131.278%0.77579%0.793SS**  cis-154.6-177.8-12.1-136.7-48.5000113
337C35.7Very low44Very low107 Ų107136.3 Ų136.372%0.72379%0.792SS**  trans-115.9150.8-166.2-56.60000117.6
338K46.5Very low44.2Very low210 Ų210141.6 Ų141.691%0.91380%0.795SS**  trans175.7165.5145.5-100154.3-174.7170.90111.9
339A41.9Very low44.3Very low92 Ų92141.8 Ų141.876%0.7679%0.794SS**  173.7113.4-62.500000110.7
340S40.8Very low44.5Very low112 Ų112136.3 Ų136.378%0.78378%0.781SS**  trans-174.8122.6156.445.70000115.8
341L42.2Very low45Very low160 Ų160141.6 Ų141.684%0.83879%0.787SS**  40.3120125-54.2174.3000119.4
342S41.5Very low44.7Very low100 Ų100137.6 Ų137.670%0.69978%0.781SS**  cis110.1178.34072.20000112.6
343P45.5Very low44.7Very low101 Ų101139.3 Ų139.366%0.65678%0.78SS**  -139.5179.5-86.744.5-27.1000117.2
344I39.8Very low44.4Very low153 Ų153140.5 Ų140.579%0.78578%0.777SS**  trans56.5122145.8-69158.5000121.5
345A44.4Very low44.3Very low102 Ų102139.8 Ų139.884%0.84378%0.775SS**  trans-161.4129.1139.200000108.9
346S38.3Very low43.9Very low99 Ų99137 Ų13769%0.69277%0.765SS**  cis99.389.64.5-157.10000118.4
347R47.7Very low43.8Very low233 Ų233136 Ų13688%0.87977%0.765SS**  trans-166.2116.9146-95.5149.4-160.8-101.23.5107
348R47.5Very low43.9Very low222 Ų222136.9 Ų136.984%0.83877%0.767SS**  67.6133.680.2-71.3-167.2-179-1661.6112.4
349T54Low43.8Very low120 Ų120131.7 Ų131.774%0.73676%0.757SS**  cis-177.6-177.57.216.10000108.9
350P48.5Very low43.5Very low100 Ų100132.1 Ų132.165%0.64975%0.754SS**  cis-142.8159.8-34.337.6-18.9000117.7
351K46.7Very low43.4Very low203 Ų203132.2 Ų132.288%0.88376%0.755SS**  trans65.9156.4136.3-73175.6176.9-175.80124.3
352S40.5Very low43.1Very low113 Ų113130 Ų13079%0.7975%0.753SS**  trans92.3122.9164.5-154.60000115.8
353M51.3Low42.9Very low157 Ų157132 Ų13277%0.77376%0.761SS**  cis-153164.4-3.4-111-79.3-78.100112.2
354L45.1Very low42.5Very low134 Ų134135 Ų13570%0.70277%0.766SS**  trans-39.8160.6165.9-75.6161000116.8
355N41.7Very low42.4Very low143 Ų143138.3 Ų138.377%0.76577%0.769SS**  cis-167.9175.1-13.1-158.413.6000112.3
356A40.7Very low42.2Very low70 Ų70136.2 Ų136.258%0.57976%0.757SS**  trans-8.8162.1153.200000122.5
357T38.8Very low42.3Very low126 Ų126141.5 Ų141.577%0.77377%0.768SS**  cis-177130.8-17.8-82.30000109.6
358T38.7Very low42Very low124 Ų124135.1 Ų135.176%0.76177%0.765SS**  trans-174.1112.1148.933.60000107.5
359S44Very low41.5Very low102 Ų102128.2 Ų128.271%0.71376%0.763SS**  50.6123.589.467.40000114.7
360S36.6Very low40.6Very low100 Ų100126.3 Ų126.370%0.69977%0.767SS**  cis-168.4148.8446.10000111.9
361S37.3Very low39.9Very low115 Ų115126.3 Ų126.380%0.80478%0.775SS**  trans44.9129.6155.7590000119.8
362S36.2Very low39.6Very low114 Ų114123.3 Ų123.380%0.79777%0.774SS**  cis-160.3131.514.2-1750000110.6
363T36.6Very low39.4Very low140 Ų140127.5 Ų127.586%0.85977%0.772SS**  trans-157.4118.9179.1-26.50000112.9
364E37.8Very low38.8Very low165 Ų165125.4 Ų125.477%0.77177%0.768SS**  trans-167.3130175.5-88.1-149.9132.400108.1
365W38.7Very low38.5Very low223 Ų223125 Ų12585%0.84576%0.763SS**  cis-135.8163.3-24.4-70.469.5000106.4
366G39.2Very low38.4Very low58 Ų58124.2 Ų124.260%0.59877%0.768SS**  cis13765.2-400000115.4
367K41.7Very low38.2Very low210 Ų210123.9 Ų123.991%0.91377%0.772SS**  trans158.8160.1159.3-93.2160-176-179.70110.4
368A40.5Very low38.4Very low98 Ų98126.2 Ų126.281%0.8178%0.779SS**  cis174.2151.2-2900000106.6
369G36.1Very low38.4Very low78 Ų78124.8 Ų124.880%0.80477%0.773SS**  cis164.3142.2-900000111.4
370G36.1Very low38.2Very low79 Ų79125.5 Ų125.581%0.81478%0.778SS**  trans75.5129173.400000116.4
371A34.4Very low38.3Very low100 Ų100126.2 Ų126.283%0.82678%0.784SS**  cis93.214910.300000118
372V38.9Very low38.3Very low141 Ų141125 Ų12586%0.85579%0.789SS**  trans82.2115.2-173.4-172.90000112.9
373R36.6Very low38.4Very low201 Ų201123.6 Ų123.676%0.75879%0.793SS**  cis84.3135.538.2-144.5-166.2176169.32.1111.2E375R373-E375 IonicContact NE-OE1 2.67Å
374V39.2Very low38.7Very low112 Ų112120.7 Ų120.768%0.67979%0.791SS**  cis-151.7152.542.1174.60000113.6
375E38.6Very low39Very low127 Ų127119.1 Ų119.159%0.59380%0.795SS**  trans-26.5159.7156.5-52.885.9-84.600117.5R373R373-E375 IonicContact NE-OE1 2.67Å
376S40.3Very low39.2Very low125 Ų125115.1 Ų115.187%0.87480%0.795SS**  cis-173.5-178.4-6-92.20000108.1
377G36.9Very low39.3Very low64 Ų64116.8 Ų116.866%0.6680%0.803SS**  cis164.3171.5-2.200000112.7
378L41Very low39.1Very low175 Ų175118.1 Ų118.192%0.91680%0.804SS**  trans73.5152.1171.3-50173.2000118.9
379S40.4Very low39.3Very low93 Ų93119.5 Ų119.565%0.6580%0.802SS**  cis-170.9152.4-19.8-920000113.7
380S38.1Very low39.5Very low117 Ų117120.1 Ų120.182%0.81880%0.8SS**  trans61.3155.1157.547.60000121.1
381S40.5Very low39.7Very low116 Ų116126 Ų12681%0.81180%0.803SS**  cis-171.4149.4-15.751.40000113.2
382G37.3Very low39.9Very low88 Ų88127 Ų12791%0.90780%0.799SS**  trans88.7155.916600000116.3
383G37.5Very low40.3Very low86 Ų86125.8 Ų125.889%0.88779%0.792SS**  cis167.6128.9-10.400000112.8
384G43.7Very low41Very low79 Ų79122.2 Ų122.281%0.81479%0.793SS**  trans150.4141.2176.500000114.4
385P43.6Very low41.4Very low131 Ų131120.6 Ų120.685%0.85179%0.791SS**  trans-109.4149.5-173.438.7-32.5000115.5
386T43.6Very low42.2Very low139 Ų139119.5 Ų119.585%0.85379%0.793SS**  trans-143.4128.4167.452.20000113.3
387A39.5Very low42.9Very low94 Ų94116.7 Ų116.778%0.77778%0.778SS**  trans34.8107156.100000120.2
388Y38.9Very low44.2Very low238 Ų238116.9 Ų116.993%0.93377%0.773SS**  trans-76125.1157.8-92.6-95.9000111
389V43.7Very low45.7Very low126 Ų126111.7 Ų111.776%0.76476%0.755SS**  trans-108120162.3176.30000108.3K391V389-K391 PolarHBondContact O-N 3.26Å
390A39.6Very low47.2Very low92 Ų92110.3 Ų110.376%0.7675%0.749SS**  trans-67.2126.8-175.700000111.8
391K41.5Very low48.9Very low201 Ų201107.3 Ų107.387%0.87473%0.732SS**  trans-140.647.6179.9-151.5171.2-171.8175.10111.9V389V389-K391 PolarHBondContact O-N 3.26Å
392T37.7Very low51.1Low121 Ų121105.9 Ų105.974%0.74272%0.715SS**  trans-124.387.7-169.125.40000111.6
393T48.6Very low53.5Low117 Ų117105.2 Ų105.272%0.71869%0.691SS**SBendtrans-147.1-20.4170.2-28.10000113.3
394T50.1Low55.9Low126 Ų126106.2 Ų106.277%0.77368%0.675SS**SBendtrans-87.8-28.9-176.2-32.40000113.7
395A48.9Very low58Low77 Ų77108.8 Ų108.864%0.63667%0.666SS**Hα-helixtrans-71.5-40.5-173.800000113.6A397 A398 A399A395-A397 VanDerWaalsContact C-N 3.33Å; A395-A397 PolarHBondContact O-N 2.93Å; A395-A398 PolarHBondContact O-N 3.12Å; A395-A399 PolarHBondContact O-N 2.92Å
396T55.3Low60.1Low105 Ų105107.6 Ų107.664%0.64465%0.649SS**Hα-helixtrans-66-32.7-179.925.20000113A399 A400T396-A399 PolarHBondContact O-N 3.34Å; T396-A400 PolarHBondContact O-N 3.48Å
397A53.9Low62Low66 Ų66108.6 Ų108.655%0.54564%0.637SS.*Hα-helixtrans-65.5-37.9176.500000112.6A395 A401A395-A397 VanDerWaalsContact C-N 3.33Å; A395-A397 PolarHBondContact O-N 2.93Å; A397-A401 PolarHBondContact O-N 3.42Å; A397-A401 VanDerWaalsContact O-N 3.13Å
398A65.5Low64.1Low68 Ų68109.5 Ų109.556%0.56263%0.628SS**Hα-helixtrans-69-38.5176.800000112.2A395 N402A395-A398 PolarHBondContact O-N 3.12Å; A398-N402 PolarHBondContact O-N 3.44Å
399A71.6Confident66.1Low65 Ų65104.9 Ų104.954%0.53761%0.613SS.*Hα-helixtrans-64.1-45.3175.100000112.1A395 T396 A401 N402 D403A395-A399 PolarHBondContact O-N 2.92Å; T396-A399 PolarHBondContact O-N 3.34Å; A399-A401 PolarHBondContact O-N 2.88Å; A399-N402 PolarHBondContact O-N 2.9Å; A399-D403 PolarHBondContact O-N 2.96Å; A399-D403 VanDerWaalsContact O-N 3.1Å
400A71.8Confident67.8Low64 Ų64105.2 Ų105.253%0.52961%0.61SS.*Hα-helixtrans-65.1-35178.900000113.3T396 L404T396-A400 PolarHBondContact O-N 3.48Å; A400-L404 PolarHBondContact O-N 2.94Å
401A74.8Confident69.4Low54 Ų54104.5 Ų104.545%0.44661%0.605SS.*Hα-helixtrans-64.9-40.4174.400000112.2A397 A399 L404 E405A397-A401 PolarHBondContact O-N 3.42Å; A397-A401 VanDerWaalsContact O-N 3.13Å; A399-A401 PolarHBondContact O-N 2.88Å; A401-L404 PolarHBondContact O-N 3.42Å; A401-E405 PolarHBondContact O-N 3.15Å; A401-E405 VanDerWaalsContact O-N 3.07Å
402N86Confident70.8Confident87 Ų8799.6 Ų99.647%0.46560%0.596SS.*Hα-helixtrans-70.1-42.5-179.5-164.8-15.2000112.2A398 A399 L404 E405 Q406A398-N402 PolarHBondContact O-N 3.44Å; A399-N402 PolarHBondContact O-N 2.9Å; N402-L404 VanDerWaalsContact C-N 3.29Å; N402-L404 PolarHBondContact O-N 3.39Å; N402-E405 PolarHBondContact O-N 3.1Å; N402-Q406 WeakPolarHBondContact O-CG 3.44Å; N402-Q406 PolarHBondContact O-N 2.95Å; N402-Q406 PolarHBondContact OD1-NE2 3.15Å
403D88.4Confident72Confident74 Ų74101.9 Ų101.940%0.39660%0.595SS.*Hα-helixtrans-58.9-40.2172.1174.563.6000111.7A399 Q406 R407A399-D403 PolarHBondContact O-N 2.96Å; A399-D403 VanDerWaalsContact O-N 3.1Å; D403-Q406 PolarHBondContact O-N 2.9Å; D403-R407 VanDerWaalsContact CG-NE 3.27Å; D403-R407 WeakPolarHBondContact O-CB 3.33Å; D403-R407 WeakPolarHBondContact O-CG 3.42Å; D403-R407 PolarHBondContact O-N 3.32Å; D403-R407 IonicContact OD1-CZ 2.64Å; D403-R407 IonicContact OD1-NE 2.96Å; D403-R407 PolarHBondContact OD1-NE 2.81Å; D403-R407 IonicContact OD1-NH2 3.21Å; D403-R407 WeakPolarHBondContact OD2-CD 3.48Å; D403-R407 IonicContact OD2-CZ 2.66Å; D403-R407 IonicContact OD2-NE 3.69Å; D403-R407 PolarHBondContact OD2-NE 3.15Å; D403-R407 IonicContact OD2-NH2 3.08Å
404L87.6Confident72.2Confident107 Ų10799.3 Ų99.356%0.5659%0.592SS**Hα-helixtrans-65.3-43.2177.1-171.366.5000112.5A400 A401 N402 R407 L408A400-L404 PolarHBondContact O-N 2.94Å; A401-L404 PolarHBondContact O-N 3.42Å; N402-L404 VanDerWaalsContact C-N 3.29Å; N402-L404 PolarHBondContact O-N 3.39Å; L404-R407 PolarHBondContact O-N 3.38Å; L404-L408 HydrophobicContact CG-CD1 4.25Å; L404-L408 WeakPolarHBondContact O-CB 3.42Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.21Å
405E87.7Confident71.8Confident132 Ų13298.2 Ų98.262%0.61759%0.589SS**Hα-helixtrans-65.2-40.7175.5-73.8-166.7143.300112.1A401 N402 L408 F409A401-E405 PolarHBondContact O-N 3.15Å; A401-E405 VanDerWaalsContact O-N 3.07Å; N402-E405 PolarHBondContact O-N 3.1Å; E405-L408 PolarHBondContact O-N 3.3Å; E405-F409 WeakPolarHBondContact O-CB 3.32Å; E405-F409 PolarHBondContact O-N 3.07Å
406Q87.3Confident71.7Confident107 Ų107101.1 Ų101.150%0.560%0.599SS.*Hα-helixtrans-63.6-44.1175.7-71.418038.800111.9N402 D403 L408 F409 L410N402-Q406 WeakPolarHBondContact O-CG 3.44Å; N402-Q406 PolarHBondContact O-N 2.95Å; N402-Q406 PolarHBondContact OD1-NE2 3.15Å; D403-Q406 PolarHBondContact O-N 2.9Å; Q406-L408 PolarHBondContact O-N 2.91Å; Q406-F409 PolarHBondContact O-N 3.4Å; Q406-L410 WeakPolarHBondContact O-CB 3.35Å; Q406-L410 WeakPolarHBondContact O-CG 3.35Å; Q406-L410 PolarHBondContact O-N 2.77Å
407R84.4Confident71.3Confident160 Ų16099.8 Ų99.860%0.60460%0.599SS**Hα-helixtrans-61.5-41.4175.4-74.4171177.5-136-4.4112.3D403 L404 A411D403-R407 VanDerWaalsContact CG-NE 3.27Å; D403-R407 WeakPolarHBondContact O-CB 3.33Å; D403-R407 WeakPolarHBondContact O-CG 3.42Å; D403-R407 PolarHBondContact O-N 3.32Å; D403-R407 IonicContact OD1-CZ 2.64Å; D403-R407 IonicContact OD1-NE 2.96Å; D403-R407 PolarHBondContact OD1-NE 2.81Å; D403-R407 IonicContact OD1-NH2 3.21Å; D403-R407 WeakPolarHBondContact OD2-CD 3.48Å; D403-R407 IonicContact OD2-CZ 2.66Å; D403-R407 IonicContact OD2-NE 3.69Å; D403-R407 PolarHBondContact OD2-NE 3.15Å; D403-R407 IonicContact OD2-NH2 3.08Å; L404-R407 PolarHBondContact O-N 3.38Å; R407-A411 WeakPolarHBondContact O-CB 3.36Å; R407-A411 PolarHBondContact O-N 2.94Å
408L82.9Confident70.9Confident113 Ų113103.1 Ų103.159%0.59261%0.613SS**Hα-helixtrans-66-40.2174.8-74.9167.9000112.1L404 E405 Q406 S412L404-L408 HydrophobicContact CG-CD1 4.25Å; L404-L408 WeakPolarHBondContact O-CB 3.42Å; L404-L408 WeakPolarHBondContact O-CG 3.38Å; L404-L408 PolarHBondContact O-N 3.21Å; E405-L408 PolarHBondContact O-N 3.3Å; Q406-L408 PolarHBondContact O-N 2.91Å; L408-S412 VanDerWaalsContact O-CB 3.23Å; L408-S412 WeakPolarHBondContact O-CB 3.47Å; L408-S412 PolarHBondContact O-N 3.08Å
409F80.2Confident70.1Confident141 Ų141106 Ų10662%0.61863%0.625SS**Hα-helixtrans-66.2-38.8176.1-106.6-76000113.3E405 Q406 S412 K413E405-F409 WeakPolarHBondContact O-CB 3.32Å; E405-F409 PolarHBondContact O-N 3.07Å; Q406-F409 PolarHBondContact O-N 3.4Å; F409-S412 PolarHBondContact O-N 2.65Å; F409-K413 PolarHBondContact O-N 2.96Å
410L79.9Confident68.7Low132 Ų132106.3 Ų106.369%0.69163%0.628SS**Hα-helixtrans-67.1-47.8175.2-73.2165.6000111Q406 S412 K413 G414Q406-L410 WeakPolarHBondContact O-CB 3.35Å; Q406-L410 WeakPolarHBondContact O-CG 3.35Å; Q406-L410 PolarHBondContact O-N 2.77Å; L410-S412 VanDerWaalsContact C-N 3.26Å; L410-S412 PolarHBondContact O-N 3.09Å; L410-K413 PolarHBondContact O-N 3.27Å; L410-K413 VanDerWaalsContact O-N 3.12Å; L410-G414 PolarHBondContact O-N 3.09Å
411A72.4Confident67.1Low78 Ų78113.7 Ų113.765%0.64564%0.644SS**Hα-helixtrans-58.7-37.3174.500000112.4R407 K413R407-A411 WeakPolarHBondContact O-CB 3.36Å; R407-A411 PolarHBondContact O-N 2.94Å; A411-K413 VanDerWaalsContact C-N 3.27Å; A411-K413 PolarHBondContact O-N 3.02Å
412S71.4Confident65.5Low98 Ų98119.7 Ų119.769%0.68566%0.66SS**THydrogen-bonded Turntrans-72.2-11.9178.4-173.80000114.8L408 F409 L410L408-S412 VanDerWaalsContact O-CB 3.23Å; L408-S412 WeakPolarHBondContact O-CB 3.47Å; L408-S412 PolarHBondContact O-N 3.08Å; F409-S412 PolarHBondContact O-N 2.65Å; L410-S412 VanDerWaalsContact C-N 3.26Å; L410-S412 PolarHBondContact O-N 3.09Å
413K63.1Low63.4Low169 Ų169123.7 Ų123.774%0.73568%0.676SS**THydrogen-bonded Turntrans-113-9.2-178.4-76.4-173172.8-175.10114.6F409 L410 A411F409-K413 PolarHBondContact O-N 2.96Å; L410-K413 PolarHBondContact O-N 3.27Å; L410-K413 VanDerWaalsContact O-N 3.12Å; A411-K413 VanDerWaalsContact C-N 3.27Å; A411-K413 PolarHBondContact O-N 3.02Å
414G53.3Low61.5Low63 Ų63126.1 Ų126.165%0.64969%0.693SS**  trans-86.5-5.9-171.200000117.3L410L410-G414 PolarHBondContact O-N 3.09Å
415S42.3Very low59.4Low102 Ų102128.6 Ų128.671%0.71370%0.702SS**  trans-104.988.8-173.2-164.80000113.2
416T45.5Very low57.6Low138 Ų138130 Ų13085%0.84771%0.711SS**  trans-98.620.916751.30000112.4T418T416-T418 PolarHBondContact O-N 3.48Å
417A47.8Very low56Low78 Ų78130.4 Ų130.465%0.64571%0.712SS**  trans-78.3114.5176.800000110.8P419A417-P419 WeakPolarHBondContact O-CD 3.49Å
418T45.4Very low54.1Low135 Ų135130.2 Ų130.283%0.82872%0.718SS**PPolyproline II helixtrans-64.5116.4173.648.20000110.5T416 A420T416-T418 PolarHBondContact O-N 3.48Å; T418-A420 PolarHBondContact O-N 3.37Å
419P48.1Very low52.8Low128 Ų128132.4 Ų132.483%0.83173%0.725SS**PPolyproline II helixtrans-70.3126.9176.128.9-32.9000109.8A417A417-P419 WeakPolarHBondContact O-CD 3.49Å
420A43.4Very low51.1Low72 Ų72132.9 Ų132.960%0.59573%0.729SS**PPolyproline II helixtrans-66.1159.7179.100000112.3T418 F422T418-A420 PolarHBondContact O-N 3.37Å; A420-F422 VanDerWaalsContact C-N 3.32Å; A420-F422 HydrophobicContact CB-CD2 4.29Å; A420-F422 HydrophobicContact CB-CE2 4.01Å; A420-F422 WeakPolarHBondContact O-CD2 3.39Å; A420-F422 PolarHBondContact O-N 2.95Å
421Y37.7Very low50Low219 Ų219134.6 Ų134.686%0.85973%0.734SS**  trans-74.673.4-168.7-152.8-92.3000112.7
422F40.6Very low48.8Very low180 Ų180136.4 Ų136.479%0.78974%0.736SS**  trans-87.9118178.5-78.4-76.7000112.3A420 T424A420-F422 VanDerWaalsContact C-N 3.32Å; A420-F422 HydrophobicContact CB-CD2 4.29Å; A420-F422 HydrophobicContact CB-CE2 4.01Å; A420-F422 WeakPolarHBondContact O-CD2 3.39Å; A420-F422 PolarHBondContact O-N 2.95Å; F422-T424 PolarHBondContact O-N 2.93Å; F422-T424 VanDerWaalsContact O-N 3.13Å
423H42.9Very low47.9Very low172 Ų172139.3 Ų139.380%0.79674%0.739SS**  trans-66.3105.8169-82.7-93000110.4E425H423-E425 PolarHBondContact O-N 2.92Å
424T46.9Very low47Very low124 Ų124137.8 Ų137.876%0.76174%0.736SS**  trans-76.697.8168.350.40000109.8F422 M426F422-T424 PolarHBondContact O-N 2.93Å; F422-T424 VanDerWaalsContact O-N 3.13Å; T424-M426 PolarHBondContact O-N 3.23Å; T424-M426 VanDerWaalsContact O-N 3.08Å
425E45.3Very low46.8Very low160 Ų160142 Ų14275%0.74874%0.739SS**  trans-66.5105.4176-169.4174.1175.400110.8H423 H427H423-E425 PolarHBondContact O-N 2.92Å; E425-H427 PolarHBondContact O-N 3.45Å; E425-H427 IonicContact OE1-CE1 3.7Å; E425-H427 PolarHBondContact OE1-CE1 2.92Å; E425-H427 VanDerWaalsContact OE1-CE1 3.22Å; E425-H427 IonicContact OE1-ND1 3.83Å
426M48.9Very low46.8Very low162 Ų162144.7 Ų144.780%0.79874%0.74SS**  trans-75.779.7-176.7-85.1-79.8-70.200111.9T424 Q428T424-M426 PolarHBondContact O-N 3.23Å; T424-M426 VanDerWaalsContact O-N 3.08Å; M426-Q428 PolarHBondContact O-N 3.34Å
427H54.6Low46.8Very low115 Ų115147.3 Ų147.353%0.53274%0.736SS.*  trans-65.692.7169.7-82.28.6000111.5E425 H429E425-H427 PolarHBondContact O-N 3.45Å; E425-H427 IonicContact OE1-CE1 3.7Å; E425-H427 PolarHBondContact OE1-CE1 2.92Å; E425-H427 VanDerWaalsContact OE1-CE1 3.22Å; E425-H427 IonicContact OE1-ND1 3.83Å; H427-H429 PolarHBondContact O-N 2.81Å; H427-H429 VanDerWaalsContact O-N 3.15Å
428Q43.3Very low47.3Very low156 Ų156149 Ų14973%0.72974%0.74SS**  trans-79.591.6-178.7-173.8-179.969.900111.6M426 Q430M426-Q428 PolarHBondContact O-N 3.34Å; Q428-Q430 PolarHBondContact O-N 2.94Å
429H56.8Low47.2Very low159 Ų159152.1 Ų152.174%0.73674%0.742SS**  trans-65.8104.5175.5-67.8-51.9000112.5H427 H431H427-H429 PolarHBondContact O-N 2.81Å; H427-H429 VanDerWaalsContact O-N 3.15Å; H429-H431 PolarHBondContact O-N 2.93Å
430Q43.8Very low47.7Very low151 Ų151153.4 Ų153.471%0.70674%0.742SS**  trans-77.8116.3170.4-66.9-173.42.200111.1Q428 T432Q428-Q430 PolarHBondContact O-N 2.94Å; Q430-T432 PolarHBondContact O-N 3.18Å
431H56.5Low48.2Very low168 Ų168154.1 Ų154.178%0.77874%0.74SS**  trans-88.797.5168.2-72.9-58.6000111.1H429 H433H429-H431 PolarHBondContact O-N 2.93Å; H431-H433 PolarHBondContact O-N 2.86Å
432T47Very low48.5Very low115 Ų115149.6 Ų149.671%0.70674%0.737SS**  trans-81.296.617642.60000111.6Q430 M434Q430-T432 PolarHBondContact O-N 3.18Å; T432-M434 VanDerWaalsContact C-N 3.34Å; T432-M434 PolarHBondContact O-N 3.45Å
433H52.3Low48.9Very low160 Ų160149.2 Ų149.274%0.74174%0.736SS**  trans-73.185173.5-89-70.9000112.2H431 H435H431-H433 PolarHBondContact O-N 2.86Å; H433-H435 PolarHBondContact O-N 3.39Å
434M44.6Very low48.8Very low137 Ų137149.9 Ų149.968%0.67574%0.737SS**  trans-63.795.4169.8-95.5-68.6-70.300111.4T432 Q436T432-M434 VanDerWaalsContact C-N 3.34Å; T432-M434 PolarHBondContact O-N 3.45Å; M434-Q436 HydrophobicContact CE-CB 4.01Å; M434-Q436 HydrophobicContact CE-CG 3.97Å; M434-Q436 PolarHBondContact O-N 2.88Å
435H49.1Very low48.4Very low152 Ų152149 Ų14970%0.70474%0.741SS**  trans-79.368.8169.6-81.5-74.3000111.4H433 Y437H433-H435 PolarHBondContact O-N 3.39Å; H435-Y437 PolarHBondContact O-N 3.04Å
436Q43.1Very low48.4Very low158 Ų158146.3 Ų146.374%0.73874%0.738SS**  trans-77.390.5177.8-148.7166.912.700110.5M434 P438M434-Q436 HydrophobicContact CE-CB 4.01Å; M434-Q436 HydrophobicContact CE-CG 3.97Å; M434-Q436 PolarHBondContact O-N 2.88Å; Q436-P438 WeakPolarHBondContact O-CD 3.24Å
437Y44.8Very low47.9Very low193 Ų193146.6 Ų146.676%0.75774%0.743SS**  trans-75.5119167.9-84.2-92.1000109.8H435 F439H435-Y437 PolarHBondContact O-N 3.04Å; Y437-F439 PolarHBondContact O-N 3.34Å; Y437-F439 VanDerWaalsContact O-N 3.17Å
438P58.2Low47.5Very low112 Ų112148 Ų14873%0.72775%0.753SS**  trans-72.7107.716929.3-31.9000109.4Q436 L440Q436-P438 WeakPolarHBondContact O-CD 3.24Å; P438-L440 PolarHBondContact O-N 3.09Å
439F43.7Very low47.2Very low202 Ų202143.8 Ų143.889%0.88675%0.752SS**  trans-63.3113.9163.3-95.9-101.5000108.7Y437Y437-F439 PolarHBondContact O-N 3.34Å; Y437-F439 VanDerWaalsContact O-N 3.17Å
440L58.2Low46.6Very low155 Ų155146.1 Ų146.181%0.81276%0.76SS**  trans-96.6128.3165.7-78170000109.1P438P438-L440 PolarHBondContact O-N 3.09Å
441P53.8Low46.9Very low87 Ų87143.6 Ų143.657%0.56576%0.757SS**  trans-77.8151.3-177.732.2-35.5000111.9F443P441-F443 HydrophobicContact CB-CD2 3.99Å; P441-F443 HydrophobicContact CB-CE2 4.04Å; P441-F443 HydrophobicContact CG-CD2 4.05Å; P441-F443 HydrophobicContact CG-CE2 4.28Å; P441-F443 PolarHBondContact O-N 3.38Å
442P45Very low46.1Very low123 Ų123140.6 Ų140.680%0.79976%0.761SS**  trans-78.6107.517731.4-32.6000110.7
443F48.2Very low46.1Very low173 Ų173145.3 Ų145.376%0.75977%0.767SS**  trans-123.2119.3173.5-87.9-89000113.1P441P441-F443 HydrophobicContact CB-CD2 3.99Å; P441-F443 HydrophobicContact CB-CE2 4.04Å; P441-F443 HydrophobicContact CG-CD2 4.05Å; P441-F443 HydrophobicContact CG-CE2 4.28Å; P441-F443 PolarHBondContact O-N 3.38Å
444F41.6Very low45.7Very low186 Ų186142.6 Ų142.682%0.81677%0.772SS**  trans-6.6131163.7-60.3-91.6000118.5P446F444-P446 WeakPolarHBondContact O-CD 3.42Å
445A38.5Very low45.8Very low104 Ų104140.6 Ų140.686%0.8678%0.778SS**  trans-78.7126.8168.300000111.7
446P43.8Very low46Very low105 Ų105141.3 Ų141.368%0.68279%0.786SS**  trans-94.6136.9165.236.1-30.8000110.8F444 I448F444-P446 WeakPolarHBondContact O-CD 3.42Å; P446-I448 HydrophobicContact CB-CD1 3.81Å; P446-I448 HydrophobicContact CG-CD1 4.32Å; P446-I448 PolarHBondContact O-N 3.1Å
447N38.9Very low46.3Very low168 Ų168139.9 Ų139.990%0.89879%0.79SS**  trans-84.692.2-178.1-17523.2000111.3
448I46.6Very low46.3Very low143 Ų143134.2 Ų134.273%0.73379%0.791SS**  trans-127134.1172.4-70.290000109.2P446P446-I448 HydrophobicContact CB-CD1 3.81Å; P446-I448 HydrophobicContact CG-CD1 4.32Å; P446-I448 PolarHBondContact O-N 3.1Å
449G37.5Very low46Very low69 Ų69138 Ų13871%0.71180%0.796SS**PPolyproline II helixtrans-86.1162.1-167.500000116.2
450F43.7Very low45.9Very low207 Ų207133.2 Ų133.291%0.90879%0.794SS**PPolyproline II helixtrans-76.8146.3169-83.6-100.8000111.6
451P49.3Very low45.7Very low98 Ų98135.4 Ų135.464%0.63679%0.793SS**PPolyproline II helixtrans-69.1139.8169.630.3-34.2000110.7Y453P451-Y453 PolarHBondContact O-N 2.62Å
452A41.5Very low46.2Very low105 Ų105136.4 Ų136.487%0.86880%0.799SS**PPolyproline II helixtrans-73.1120.7177.500000111.1
453Y45.7Very low46.8Very low215 Ų215136.1 Ų136.184%0.84380%0.797SS**PPolyproline II helixtrans-84.8136.4163.8-84.7-89.1000110P451 A455P451-Y453 PolarHBondContact O-N 2.62Å; Y453-A455 PolarHBondContact O-N 2.67Å
454A44.7Very low47.3Very low102 Ų102134.1 Ų134.184%0.84380%0.802SS**PPolyproline II helixtrans-66125.2-168.900000112.5
455A46.5Very low47.5Very low96 Ų96129.7 Ų129.779%0.79380%0.8SS**PPolyproline II helixtrans-76124.8169.100000110.1Y453Y453-A455 PolarHBondContact O-N 2.67Å
456L52.4Low47.5Very low166 Ų166130 Ų13087%0.86980%0.802SS**PPolyproline II helixtrans-66.2134.1167.5-79.9159.4000109.7
457P50.4Low47.4Very low128 Ų128129.7 Ų129.783%0.83181%0.808SS**SBendtrans-74.8134.9176.630.7-33.6000110.6
458G44.9Very low47.6Very low74 Ų74126.7 Ų126.776%0.76381%0.807SS**  trans144.4-10.2161.400000119.2
459F51.7Low47.2Very low193 Ų193124.7 Ų124.785%0.84681%0.812SS**  trans-124.3110180-107-94.2000113.1Y461F459-Y461 HydrophobicContact CD1-CD2 4.47Å; F459-Y461 HydrophobicContact CD1-CE2 4.25Å
460A41.8Very low47.7Very low101 Ų101126 Ų12684%0.83582%0.815SS**  trans-91.7112.8174.600000110.5
461Y53.5Low47.6Very low200 Ų200124.8 Ų124.878%0.78482%0.819SS**  trans-106.2135.1162.5-98.9-94.9000109.3F459F459-Y461 HydrophobicContact CD1-CD2 4.47Å; F459-Y461 HydrophobicContact CD1-CE2 4.25Å
462P63.7Low47.2Very low109 Ų109122.9 Ų122.971%0.70882%0.817SS**PPolyproline II helixtrans-72.3145.3-178.729.9-34.8000111.4
463P57.9Low47.2Very low117 Ų117126.2 Ų126.276%0.7682%0.819SS**PPolyproline II helixtrans-70140.1174.329.8-34.1000110.6A465P463-A465 PolarHBondContact O-N 2.98Å
464P59.3Low47.2Very low130 Ų130123.2 Ų123.284%0.84482%0.818SS**PPolyproline II helixtrans-66.3120.9170.927.9-32.8000109.5
465A45.1Very low47.5Very low94 Ų94123.5 Ų123.578%0.77781%0.809SS**PPolyproline II helixtrans-65.7137.8-179.200000111.6P463 A467P463-A465 PolarHBondContact O-N 2.98Å; A465-A467 PolarHBondContact O-N 3.02Å
466A38.7Very low47.9Very low111 Ų111124.4 Ų124.492%0.91781%0.806SS**  trans-7199.6173.300000110.1
467A42.7Very low47.9Very low97 Ų97124.6 Ų124.680%0.80281%0.807SS**PPolyproline II helixtrans-87.2144.8175.100000111.5A465A465-A467 PolarHBondContact O-N 3.02Å
468A42.7Very low48.1Very low105 Ų105123 Ų12387%0.86881%0.805SS**PPolyproline II helixtrans-71.5163.9-17000000114.5
469A38.5Very low48.6Very low102 Ų102122.5 Ų122.584%0.84380%0.8SS**PPolyproline II helixtrans-67144.4-176.500000113.9
470A46.7Very low49.3Very low95 Ų95123.3 Ų123.379%0.78580%0.803SS**  trans-118.4131.5159.100000108.8G472A470-G472 PolarHBondContact O-N 3.19Å
471N41.5Very low50.5Low183 Ų183130.1 Ų130.198%0.97981%0.808SS**  trans-73.790.7-178.5-76.6-37.4000111
472G41.8Very low51.6Low58 Ų58130.5 Ų130.560%0.59881%0.813SS**  trans-119.9130.917200000111A470 N474A470-G472 PolarHBondContact O-N 3.19Å; G472-N474 PolarHBondContact O-N 3.29Å
473L41.5Very low52.5Low174 Ų174128.2 Ų128.291%0.91181%0.81SS**  trans-7963.6-173.8-134.5166.4000111.5V475L473-V475 PolarHBondContact O-N 3.11Å
474N44.4Very low53.9Low152 Ų152132.6 Ų132.681%0.81382%0.817SS**  trans-74.991.2-174.1-120.7-13.7000110.6G472G472-N474 PolarHBondContact O-N 3.29Å
475V52.1Low55.6Low109 Ų109135 Ų13566%0.66181%0.809SS**  trans-58.1123.2167.1178.10000107.9L473 L477L473-V475 PolarHBondContact O-N 3.11Å; V475-L477 PolarHBondContact O-N 2.93Å
476P54.1Low58Low114 Ų114133.6 Ų133.674%0.7479%0.793SS**  trans-64.9109.9179.525.7-33.1000109A478P476-A478 VanDerWaalsContact C-N 3.33Å; P476-A478 PolarHBondContact O-N 2.97Å
477L52.3Low60.7Low170 Ų170132.3 Ų132.389%0.8978%0.782SS**  trans-59.397.2171.6-96.8126.7000108.4V475 G479V475-L477 PolarHBondContact O-N 2.93Å; L477-G479 PolarHBondContact O-N 3.48Å
478A55.3Low63.1Low95 Ų95134.4 Ų134.479%0.78577%0.773SS**  trans-55.4108.7-17400000109.8P476 K480P476-A478 VanDerWaalsContact C-N 3.33Å; P476-A478 PolarHBondContact O-N 2.97Å; A478-K480 PolarHBondContact O-N 3.37Å
479G54.8Low65.7Low64 Ų64134.5 Ų134.566%0.6676%0.756SS**  trans-50.8126.1-171.300000111L477 R481L477-G479 PolarHBondContact O-N 3.48Å; G479-R481 PolarHBondContact O-N 3.48Å
480K66.4Low68.5Low210 Ų210133.6 Ų133.691%0.91374%0.739SS**  trans-51.795.4-172.2-64.9177.4-177.6171.60110.1A478 K482A478-K480 PolarHBondContact O-N 3.37Å; K480-K482 PolarHBondContact O-N 2.99Å; K480-K482 VanDerWaalsContact O-N 3.07Å
481R67.4Low70.9Confident244 Ų244134.3 Ų134.392%0.92173%0.726SS**  trans-57.8117.4-176.9-76-174.6170.5-167.9-3108.1G479 G483G479-R481 PolarHBondContact O-N 3.48Å; R481-G483 PolarHBondContact O-N 2.91Å
482K76Confident73.6Confident207 Ų207129.4 Ų129.490%0.970%0.699SS**  trans-55.3107.4176.7-71.8-176.3177.5-179.70108.3K480 K484K480-K482 PolarHBondContact O-N 2.99Å; K480-K482 VanDerWaalsContact O-N 3.07Å; K482-K484 PolarHBondContact O-N 2.93Å
483G83.2Confident76.2Confident62 Ų62128.6 Ų128.664%0.63969%0.687SS**PPolyproline II helixtrans-61.5122.4-177.300000110R481 W485R481-G483 PolarHBondContact O-N 2.91Å; G483-W485 PolarHBondContact O-N 3.47Å
484K87.9Confident78.9Confident209 Ų209127.8 Ų127.891%0.90967%0.672SS**PPolyproline II helixtrans-66124.8172.2-68.7-172.7177.1-1750108.2K482 C486K482-K484 PolarHBondContact O-N 2.93Å; K484-C486 PolarHBondContact O-N 3.26Å
485W94.3Very high81.4Confident180 Ų180125.3 Ų125.368%0.68266%0.658SS**PPolyproline II helixtrans-68.3124.1174.1-72.154.7000108.3G483 H489 V490 A493G483-W485 PolarHBondContact O-N 3.47Å; W485-H489 HydrophobicContact CD2-CB 4.43Å; W485-H489 HydrophobicContact CE3-CB 3.74Å; W485-H489 HydrophobicContact CZ3-CB 4.33Å; W485-V490 HydrophobicContact CB-CG2 4.24Å; W485-V490 HydrophobicContact CE3-CG2 4.49Å; W485-A493 HydrophobicContact CZ3-CB 4.12Å
486C95.9Very high83.6Confident64 Ų64125.1 Ų125.143%0.43265%0.652SS.*PPolyproline II helixtrans-77.3158.9169.466.10000109.7K484 K488 H489 V490K484-C486 PolarHBondContact O-N 3.26Å; C486-K488 PolarHBondContact O-N 2.97Å; C486-K488 VanDerWaalsContact O-N 3.09Å; C486-H489 PolarHBondContact O-N 3.49Å; C486-H489 PolarHBondContact SG-ND1 3.4Å; C486-V490 PolarHBondContact O-N 3.48Å
487A95Very high85.7Confident85 Ų85125 Ų12570%0.70264%0.638SS**Hα-helixtrans-50.3-39.7-17900000112.7H489 V490 E491A487-H489 VanDerWaalsContact C-N 3.33Å; A487-H489 PolarHBondContact O-N 3.12Å; A487-V490 WeakPolarHBondContact O-CB 3.45Å; A487-V490 PolarHBondContact O-N 2.96Å; A487-V490 VanDerWaalsContact O-N 3.08Å; A487-E491 WeakPolarHBondContact O-CB 3.5Å; A487-E491 PolarHBondContact O-N 3.01Å
488K93Very high87.8Confident140 Ų140123.6 Ų123.661%0.60962%0.621SS**Hα-helixtrans-63.7-30.4178.2-165.7163.6-169.4162.60114.3C486 I492C486-K488 PolarHBondContact O-N 2.97Å; C486-K488 VanDerWaalsContact O-N 3.09Å; K488-I492 HydrophobicContact CG-CD1 4.22Å; K488-I492 WeakPolarHBondContact O-CB 3.37Å; K488-I492 WeakPolarHBondContact O-CD1 3.33Å; K488-I492 WeakPolarHBondContact O-CG1 3.5Å; K488-I492 PolarHBondContact O-N 3.49Å; K488-I492 VanDerWaalsContact O-N 3.08Å
489H97.7Very high89.7Confident107 Ų107126.8 Ų126.850%0.49562%0.617SS.*Hα-helixtrans-74.1-34.2172.5-69.1150.8000112W485 C486 A487 A493W485-H489 HydrophobicContact CD2-CB 4.43Å; W485-H489 HydrophobicContact CE3-CB 3.74Å; W485-H489 HydrophobicContact CZ3-CB 4.33Å; C486-H489 PolarHBondContact O-N 3.49Å; C486-H489 PolarHBondContact SG-ND1 3.4Å; A487-H489 VanDerWaalsContact C-N 3.33Å; A487-H489 PolarHBondContact O-N 3.12Å; H489-A493 WeakPolarHBondContact O-CB 3.47Å; H489-A493 PolarHBondContact O-N 3.2Å
490V97.2Very high91.6Very high83 Ų83128.1 Ų128.150%0.50361%0.612SS.*Hα-helixtrans-68.1-43.4174.4-176.10000110.5W485 C486 A487 A493 W494W485-V490 HydrophobicContact CB-CG2 4.24Å; W485-V490 HydrophobicContact CE3-CG2 4.49Å; C486-V490 PolarHBondContact O-N 3.48Å; A487-V490 WeakPolarHBondContact O-CB 3.45Å; A487-V490 PolarHBondContact O-N 2.96Å; A487-V490 VanDerWaalsContact O-N 3.08Å; V490-A493 PolarHBondContact O-N 3.16Å; V490-W494 WeakPolarHBondContact O-CB 3.33Å; V490-W494 PolarHBondContact O-N 2.92Å
491E97.7Very high92.8Very high110 Ų110125.5 Ų125.551%0.51460%0.597SS.*Hα-helixtrans-57.1-50.4173.6-178.8-172.3-161.900112.1A487 A493 W494 L495A487-E491 WeakPolarHBondContact O-CB 3.5Å; A487-E491 PolarHBondContact O-N 3.01Å; E491-A493 VanDerWaalsContact C-N 3.34Å; E491-A493 PolarHBondContact O-N 3.37Å; E491-W494 PolarHBondContact O-N 3.09Å; E491-L495 HydrophobicContact CG-CD1 4.36Å; E491-L495 WeakPolarHBondContact O-CG 3.41Å; E491-L495 PolarHBondContact O-N 2.91Å
492I97.4Very high93.9Very high80 Ų80119.4 Ų119.441%0.4158%0.579SS.*Hα-helixtrans-61.5-42.5177.3-70.3165.5000111.1K488 L495 I496K488-I492 HydrophobicContact CG-CD1 4.22Å; K488-I492 WeakPolarHBondContact O-CB 3.37Å; K488-I492 WeakPolarHBondContact O-CD1 3.33Å; K488-I492 WeakPolarHBondContact O-CG1 3.5Å; K488-I492 PolarHBondContact O-N 3.49Å; K488-I492 VanDerWaalsContact O-N 3.08Å; I492-L495 PolarHBondContact O-N 3.39Å; I492-I496 HydrophobicContact CG2-CD1 3.92Å; I492-I496 VanDerWaalsContact O-CG1 3.31Å; I492-I496 WeakPolarHBondContact O-CG1 3.5Å; I492-I496 PolarHBondContact O-N 3.21Å
493A97.6Very high94.1Very high41 Ų41111.7 Ų111.734%0.33956%0.557SS.*Hα-helixtrans-64.1-39.6176.700000112.4W485 H489 V490 E491 I496 Y497W485-A493 HydrophobicContact CZ3-CB 4.12Å; H489-A493 WeakPolarHBondContact O-CB 3.47Å; H489-A493 PolarHBondContact O-N 3.2Å; V490-A493 PolarHBondContact O-N 3.16Å; E491-A493 VanDerWaalsContact C-N 3.34Å; E491-A493 PolarHBondContact O-N 3.37Å; A493-I496 PolarHBondContact O-N 3.22Å; A493-Y497 WeakPolarHBondContact O-CB 3.38Å; A493-Y497 PolarHBondContact O-N 3.15Å
494W97.7Very high93.3Very high157 Ų157112.9 Ų112.960%0.59555%0.553SS**Hα-helixtrans-64.6-41.8175.7-175.8-115.2000112.3V490 E491 Y497 R498V490-W494 WeakPolarHBondContact O-CB 3.33Å; V490-W494 PolarHBondContact O-N 2.92Å; E491-W494 PolarHBondContact O-N 3.09Å; W494-Y497 HydrophobicContact CE3-CD1 4.01Å; W494-Y497 HydrophobicContact CH2-CE1 4.48Å; W494-Y497 AromaticContact CZ3-CD1 3.91Å; W494-Y497 HydrophobicContact CZ3-CD1 3.91Å; W494-Y497 HydrophobicContact CZ3-CE1 4.04Å; W494-Y497 PolarHBondContact O-N 2.99Å; W494-R498 WeakPolarHBondContact O-CB 3.42Å; W494-R498 PolarHBondContact O-N 3.43Å
495L97.5Very high92.1Very high100 Ų100112.1 Ų112.152%0.52454%0.544SS..Hα-helixtrans-63.5-40.8174.6-71.1170.4000112.1E491 I492 K499E491-L495 HydrophobicContact CG-CD1 4.36Å; E491-L495 WeakPolarHBondContact O-CG 3.41Å; E491-L495 PolarHBondContact O-N 2.91Å; I492-L495 PolarHBondContact O-N 3.39Å; L495-K499 WeakPolarHBondContact O-CB 3.46Å; L495-K499 PolarHBondContact O-N 2.95Å
496I97.4Very high90.8Very high105 Ų105111.8 Ų111.854%0.53855%0.548SS..Hα-helixtrans-63.7-49.8174.4-68.1165.1000110.4I492 A493 R498 K499 V500I492-I496 HydrophobicContact CG2-CD1 3.92Å; I492-I496 VanDerWaalsContact O-CG1 3.31Å; I492-I496 WeakPolarHBondContact O-CG1 3.5Å; I492-I496 PolarHBondContact O-N 3.21Å; A493-I496 PolarHBondContact O-N 3.22Å; I496-R498 PolarHBondContact O-N 3.35Å; I496-K499 PolarHBondContact O-N 3.03Å; I496-V500 WeakPolarHBondContact O-CG2 3.46Å; I496-V500 PolarHBondContact O-N 2.85Å
497Y97.4Very high89Confident113 Ų113110.6 Ų110.644%0.44355%0.546SS..Hα-helixtrans-57.3-47.4177.7171-98.8000112A493 W494 K499 V500 R501A493-Y497 WeakPolarHBondContact O-CB 3.38Å; A493-Y497 PolarHBondContact O-N 3.15Å; W494-Y497 HydrophobicContact CE3-CD1 4.01Å; W494-Y497 HydrophobicContact CH2-CE1 4.48Å; W494-Y497 AromaticContact CZ3-CD1 3.91Å; W494-Y497 HydrophobicContact CZ3-CD1 3.91Å; W494-Y497 HydrophobicContact CZ3-CE1 4.04Å; W494-Y497 PolarHBondContact O-N 2.99Å; Y497-K499 VanDerWaalsContact C-N 3.35Å; Y497-K499 PolarHBondContact O-N 3.36Å; Y497-V500 PolarHBondContact O-N 3.3Å; Y497-R501 WeakPolarHBondContact O-CB 3.46Å; Y497-R501 PolarHBondContact O-N 3.33Å; Y497-R501 PolarHBondContact OH-NH1 3.23Å
498R96.6Very high87.1Confident139 Ų139113.3 Ų113.353%0.52554%0.544SS..Hα-helixtrans-61.3-42.3177.5-171.1175.4-174.9169.34.2111.6W494 I496 R501 Q502W494-R498 WeakPolarHBondContact O-CB 3.42Å; W494-R498 PolarHBondContact O-N 3.43Å; I496-R498 PolarHBondContact O-N 3.35Å; R498-R501 PolarHBondContact O-N 3.39Å; R498-Q502 WeakPolarHBondContact O-CB 3.42Å; R498-Q502 WeakPolarHBondContact O-CG 3.43Å; R498-Q502 PolarHBondContact O-N 2.97Å
499K95Very high85.4Confident163 Ų163111.5 Ų111.571%0.70955%0.545SS*.Hα-helixtrans-65.9-40.5177.9-170.9171-176.7175.40112.5L495 I496 Y497 Q502 G503L495-K499 WeakPolarHBondContact O-CB 3.46Å; L495-K499 PolarHBondContact O-N 2.95Å; I496-K499 PolarHBondContact O-N 3.03Å; Y497-K499 VanDerWaalsContact C-N 3.35Å; Y497-K499 PolarHBondContact O-N 3.36Å; K499-Q502 PolarHBondContact O-N 3.48Å; K499-G503 PolarHBondContact O-N 2.87Å
500V94.5Very high83.5Confident92 Ų92111.9 Ų111.956%0.55855%0.55SS*.Hα-helixtrans-63.5-48.4174172.20000110.7I496 Y497 Q502 G503 T504I496-V500 WeakPolarHBondContact O-CG2 3.46Å; I496-V500 PolarHBondContact O-N 2.85Å; Y497-V500 PolarHBondContact O-N 3.3Å; V500-Q502 VanDerWaalsContact C-N 3.26Å; V500-Q502 PolarHBondContact O-N 3.06Å; V500-G503 PolarHBondContact O-N 2.94Å; V500-G503 VanDerWaalsContact O-N 3.11Å; V500-T504 PolarHBondContact O-N 2.93Å
501R92.5Very high81.8Confident154 Ų154112.5 Ų112.558%0.58155%0.554SS**Hα-helixtrans-66.3-23-179.6-171.3172.2178.8-178-3.3114Y497 R498 T504Y497-R501 WeakPolarHBondContact O-CB 3.46Å; Y497-R501 PolarHBondContact O-N 3.33Å; Y497-R501 PolarHBondContact OH-NH1 3.23Å; R498-R501 PolarHBondContact O-N 3.39Å; R501-T504 PolarHBondContact O-OG1 3.02Å
502Q90.1Very high80.1Confident117 Ų117112.6 Ų112.655%0.54756%0.558SS.*Hα-helixtrans-85.6-32.7171-74.1177.1-35.400112.6R498 K499 V500R498-Q502 WeakPolarHBondContact O-CB 3.42Å; R498-Q502 WeakPolarHBondContact O-CG 3.43Å; R498-Q502 PolarHBondContact O-N 2.97Å; K499-Q502 PolarHBondContact O-N 3.48Å; V500-Q502 VanDerWaalsContact C-N 3.26Å; V500-Q502 PolarHBondContact O-N 3.06Å
503G80.3Confident78.6Confident44 Ų44111.2 Ų111.245%0.45456%0.559SS.*Hα-helixtrans-65.9-43.1179.400000113.3K499 V500 R505 K506K499-G503 PolarHBondContact O-N 2.87Å; V500-G503 PolarHBondContact O-N 2.94Å; V500-G503 VanDerWaalsContact O-N 3.11Å; G503-R505 VanDerWaalsContact C-N 3.32Å; G503-R505 PolarHBondContact O-N 3.3Å; G503-K506 PolarHBondContact O-N 3.47Å; G503-K506 VanDerWaalsContact O-N 3.1Å
504T67.1Low77.1Confident88 Ų88115.4 Ų115.454%0.5457%0.571SS.*G310 helixtrans-57.6-42.6-178.950.80000112.6V500 R501 K506 G507V500-T504 PolarHBondContact O-N 2.93Å; R501-T504 PolarHBondContact O-OG1 3.02Å; T504-K506 PolarHBondContact O-N 3Å; T504-K506 VanDerWaalsContact O-N 3.15Å; T504-G507 PolarHBondContact O-N 3.4Å; T504-G507 VanDerWaalsContact O-N 3.15Å
505R63.3Low75.8Confident193 Ų193110.7 Ų110.773%0.72856%0.562SS**G310 helixtrans-70.8-3.2179.4-70.3-171.5170.5-161.8-5.1115.7G503G503-R505 VanDerWaalsContact C-N 3.32Å; G503-R505 PolarHBondContact O-N 3.3Å
506K65.6Low74.4Confident173 Ų173112.5 Ų112.575%0.75257%0.568SS**G310 helixtrans-108.5-1.3171.7-83.1-161.9171.4-167.10113.7G503 T504G503-K506 PolarHBondContact O-N 3.47Å; G503-K506 VanDerWaalsContact O-N 3.1Å; T504-K506 PolarHBondContact O-N 3Å; T504-K506 VanDerWaalsContact O-N 3.15Å
507G58.9Low72.7Confident39 Ų39114.4 Ų114.440%0.40257%0.574SS.*THydrogen-bonded Turntrans-77-49.7171.700000111.9T504 T509 L510T504-G507 PolarHBondContact O-N 3.4Å; T504-G507 VanDerWaalsContact O-N 3.15Å; G507-T509 PolarHBondContact O-N 2.93Å; G507-L510 PolarHBondContact O-N 3.33Å
508E55.3Low71.3Confident142 Ų142115.4 Ų115.466%0.66458%0.583SS**Hα-helixtrans-60-47.5-170-65.8163.7158.500112.4L510 V511E508-L510 VanDerWaalsContact C-N 3.29Å; E508-L510 PolarHBondContact O-N 3.44Å; E508-V511 PolarHBondContact O-N 3.22Å
509T57.7Low69.8Low102 Ų102118.2 Ų118.263%0.62659%0.593SS**Hα-helixtrans-74.4-11-177.755.90000115.4G507G507-T509 PolarHBondContact O-N 2.93Å
510L56.9Low68.5Low114 Ų114117.4 Ų117.460%0.59760%0.596SS**Hα-helixtrans-85.7-32.8176.2-164.770.7000111.6G507 E508 A513 E514G507-L510 PolarHBondContact O-N 3.33Å; E508-L510 VanDerWaalsContact C-N 3.29Å; E508-L510 PolarHBondContact O-N 3.44Å; L510-A513 PolarHBondContact O-N 3.42Å; L510-E514 PolarHBondContact O-N 2.93Å
511V61.8Low67Low97 Ų97116.8 Ų116.859%0.58860%0.6SS**Hα-helixtrans-67.8-38.9-179.8175.90000111.5E508 A513 S515E508-V511 PolarHBondContact O-N 3.22Å; V511-A513 VanDerWaalsContact C-N 3.35Å; V511-S515 WeakPolarHBondContact O-CB 3.48Å; V511-S515 PolarHBondContact O-N 3.45Å; V511-S515 PolarHBondContact O-OG 2.99Å
512D62Low65.6Low111 Ų111113.3 Ų113.359%0.59460%0.6SS**Hα-helixtrans-63.6-40.1173.9-71.3-26.4000111.8S515 Q516D512-S515 PolarHBondContact O-OG 2.85Å; D512-S515 VanDerWaalsContact O-OG 3.14Å; D512-Q516 WeakPolarHBondContact O-CB 3.48Å; D512-Q516 PolarHBondContact O-N 3.27Å
513A65.1Low64.1Low52 Ų52115 Ų11543%0.4361%0.613SS.*Hα-helixtrans-67.8-42.6178.600000112.7L510 V511 H517L510-A513 PolarHBondContact O-N 3.42Å; V511-A513 VanDerWaalsContact C-N 3.35Å; A513-H517 PolarHBondContact O-N 2.93Å
514E66Low62.7Low129 Ų129116.4 Ų116.460%0.60363%0.627SS**Hα-helixtrans-71.7-38-179.3-165.7165.7-179.300111.9L510 H517 Q518L510-E514 PolarHBondContact O-N 2.93Å; E514-H517 PolarHBondContact O-N 3.49Å; E514-Q518 PolarHBondContact O-N 3.35Å; E514-Q518 VanDerWaalsContact O-N 3.16Å
515S70.9Confident61.8Low57 Ų57117.4 Ų117.440%0.39964%0.637SS.*Hα-helixtrans-70.3-34.5176.1620000113.4V511 D512 H517 Q518 R519V511-S515 WeakPolarHBondContact O-CB 3.48Å; V511-S515 PolarHBondContact O-N 3.45Å; V511-S515 PolarHBondContact O-OG 2.99Å; D512-S515 PolarHBondContact O-OG 2.85Å; D512-S515 VanDerWaalsContact O-OG 3.14Å; S515-H517 VanDerWaalsContact C-N 3.31Å; S515-Q518 PolarHBondContact O-N 3.34Å; S515-R519 PolarHBondContact O-N 3.32Å
516Q68Low61.1Low138 Ų138117.9 Ų117.965%0.64565%0.645SS**Hα-helixtrans-65.7-35.7172-163.2173.337.800111.6D512 R519 L520D512-Q516 WeakPolarHBondContact O-CB 3.48Å; D512-Q516 PolarHBondContact O-N 3.27Å; Q516-R519 PolarHBondContact O-N 2.91Å; Q516-L520 PolarHBondContact O-N 3.44Å
517H62Low59.9Low145 Ų145116.9 Ų116.967%0.67165%0.652SS**Hα-helixtrans-72.1-30.4178.8-138.3-52.8000113.6A513 E514 S515A513-H517 PolarHBondContact O-N 2.93Å; E514-H517 PolarHBondContact O-N 3.49Å; S515-H517 VanDerWaalsContact C-N 3.31Å
518Q66.9Low58.9Low135 Ų135119.8 Ų119.863%0.63167%0.673SS**Hα-helixtrans-70.4-39.6173.1-77.1-169.51.900112.9E514 S515 L520 A521 S522E514-Q518 PolarHBondContact O-N 3.35Å; E514-Q518 VanDerWaalsContact O-N 3.16Å; S515-Q518 PolarHBondContact O-N 3.34Å; Q518-L520 VanDerWaalsContact C-N 3.28Å; Q518-L520 PolarHBondContact O-N 3.12Å; Q518-A521 WeakPolarHBondContact O-CB 3.27Å; Q518-A521 PolarHBondContact O-N 3.46Å; Q518-S522 PolarHBondContact O-N 3.38Å; Q518-S522 PolarHBondContact O-OG 3.05Å
519R65.9Low58.3Low198 Ų198120 Ų12075%0.74768%0.683SS**Hα-helixtrans-60.2-37.7177.6-73-173.4177-142.30.6112.7S515 Q516 A521 S522S515-R519 PolarHBondContact O-N 3.32Å; Q516-R519 PolarHBondContact O-N 2.91Å; R519-A521 VanDerWaalsContact C-N 3.26Å; R519-A521 PolarHBondContact O-N 3.01Å; R519-S522 PolarHBondContact O-OG 3.11Å
520L68.2Low57.4Low146 Ų146118.4 Ų118.476%0.76469%0.687SS**Hα-helixtrans-73.6-14.5176.2-66.6173.5000113.7Q516 Q518Q516-L520 PolarHBondContact O-N 3.44Å; Q518-L520 VanDerWaalsContact C-N 3.28Å; Q518-L520 PolarHBondContact O-N 3.12Å
521A63.4Low56.5Low78 Ų78119.8 Ų119.865%0.64570%0.7SS**Hα-helixtrans-92-20.4177.400000113.4Q518 R519Q518-A521 WeakPolarHBondContact O-CB 3.27Å; Q518-A521 PolarHBondContact O-N 3.46Å; R519-A521 VanDerWaalsContact C-N 3.26Å; R519-A521 PolarHBondContact O-N 3.01Å
522S62.8Low55.6Low82 Ų82120.8 Ų120.857%0.57371%0.707SS**Hα-helixtrans-84.7-28-17445.20000115.5Q518 R519 G524Q518-S522 PolarHBondContact O-N 3.38Å; Q518-S522 PolarHBondContact O-OG 3.05Å; R519-S522 PolarHBondContact O-OG 3.11Å; S522-G524 VanDerWaalsContact C-N 3.33Å; S522-G524 PolarHBondContact O-N 2.92Å
523D57Low54.5Low153 Ų153123.7 Ų123.782%0.81872%0.716SS**SBendtrans-85.4-0.1-175.4-74.1-28.6000114.3S525D523-S525 PolarHBondContact O-N 3.33Å
524G52Low53.3Low72 Ų72124.9 Ų124.974%0.74272%0.721SS**SBendtrans-85.710.3-172.200000117.4S522S522-G524 VanDerWaalsContact C-N 3.33Å; S522-G524 PolarHBondContact O-N 2.92Å
525S47.8Very low52.2Low109 Ų109126.4 Ų126.476%0.76273%0.729SS**  trans-139.347.4-162.9-156.80000116.4D523D523-S525 PolarHBondContact O-N 3.33Å
526K48.1Very low50.8Low204 Ų204130 Ų13089%0.88774%0.739SS**  trans-144.7156.9160.5-69.2-167.4179.5177.80111
527V42.1Very low49.7Very low151 Ų151131 Ų13192%0.91574%0.744SS**  trans85.888.9-176.6-171.70000115.1
528A37.2Very low48.7Very low100 Ų100130.3 Ų130.383%0.82674%0.741SS**  trans-164.842.4164.900000114.5
529V42.3Very low47.5Very low146 Ų146132 Ų13289%0.88575%0.746SS**  trans-142.2120.9172-177.10000111.3
530G38.1Very low46.6Very low69 Ų69131.9 Ų131.971%0.71175%0.746SS**  trans67113.4153.900000119.1
531V39.8Very low45.5Very low144 Ų144133.2 Ų133.287%0.87375%0.753SS**  -168.9155101.7148.90000108.4
532V42.2Very low44.4Very low118 Ų118133.2 Ų133.272%0.71576%0.761SS**  trans-121.7152.8-173165.50000109.4
533E37.9Very low43.4Very low171 Ų171133.4 Ų133.480%0.79978%0.775SS**  trans66.3151.2176.2-76.6168.8105.600116.1
534S41Very low42.5Very low77 Ų77131.7 Ų131.754%0.53878%0.775SS.*  cis-150168.10.5-132.70000111.1
535Q42.7Very low42.4Very low162 Ų162133.9 Ų133.976%0.75778%0.777SS**  trans27.7144.7139.5-70.3173.790.200120.4
536Q42.3Very low42.2Very low131 Ų131133.4 Ų133.461%0.61278%0.779SS**  cis-179.9159.413.1143.9-175.9-13.600109.8
537E44.3Very low41.8Very low161 Ų161134 Ų13475%0.75278%0.776SS**  trans61.3165.9163.8-82.4165.3159.700119.7
538E40.9Very low41.8Very low129 Ų129132.8 Ų132.860%0.60377%0.771SS**  cis-142.5119.5-26.1-179.7174.9-176.500111R540E538-R540 IonicContact OE1-NE 3.21Å
539K42.1Very low41.8Very low172 Ų172131.9 Ų131.975%0.74876%0.758SS**  30.2123123.7-138.1-177.8-157.8163.20118.9
540R47Very low41.7Very low195 Ų195134.3 Ų134.374%0.73676%0.757SS**  157.1145.8117.7-87.1168.1-169.5-99.25.5114.8E538E538-R540 IonicContact OE1-NE 3.21Å
541L44.7Very low41.9Very low173 Ų173139 Ų13991%0.90676%0.76SS**  trans62.6136.2158-61.2154.8000117.3
542G41.2Very low41.8Very low79 Ų79138.5 Ų138.581%0.81475%0.753SS**  cis164.2140-8.700000111.3
543G41.6Very low41.6Very low85 Ų85144.8 Ų144.888%0.87676%0.764SS**  trans155.1113.3174.300000115.6
544S37.1Very low41.7Very low117 Ų117142.7 Ų142.782%0.81876%0.762SS**  trans-153152.7166.1-159.60000106.9
545P49.5Very low41.9Very low119 Ų119145.3 Ų145.377%0.77378%0.775SS**  -155.6-16688.841.8-22000115.5
546A43.7Very low41.8Very low98 Ų98142.8 Ų142.881%0.8177%0.773SS**  trans87.899.9155.800000119.3
547R40.5Very low41.8Very low218 Ų218142.9 Ų142.982%0.82378%0.782SS**  trans-97.2162.4153.1-147.9-174.9-172.8-156.84.2107.8
548P42.6Very low41.7Very low125 Ų125140.9 Ų140.981%0.81278%0.781SS**  -144.7-176.89537.1-20.3000114.4
549S36.3Very low41.8Very low81 Ų81142.6 Ų142.657%0.56679%0.793SS**  trans-106.3152.3-170.950.40000114
550F40.9Very low41.6Very low197 Ų197141.7 Ų141.786%0.86480%0.796SS**  trans-144.5112.2155.9-94.2-78.2000113.8
551H42.1Very low41.3Very low167 Ų167136 Ų13677%0.77380%0.798SS**  trans46140.4145-80.8-81.2000125.4
552D36.5Very low41.1Very low134 Ų134135.7 Ų135.772%0.71780%0.796SS**  trans-66154.9167.8-44.6-98.2000114.7
553R38.5Very low41Very low250 Ų250135.4 Ų135.494%0.94379%0.793SS**  trans-142.1130.2138.3-74.7-161.5170.6171.4-2111.1
554V39.5Very low41Very low126 Ų126137.1 Ų137.176%0.76478%0.782SS**  trans-120.3130.8173.2171.30000108.7
555T45Very low41Very low133 Ų133140 Ų14082%0.81678%0.78SS**  trans-150.2104.5170.146.70000111.6
556P41.9Very low40.7Very low109 Ų109143.8 Ų143.871%0.70879%0.787SS**PPolyproline II helixtrans-86139.4153.633.8-29.9000109.9
557V42.7Very low40.5Very low133 Ų133144.7 Ų144.781%0.80679%0.787SS**PPolyproline II helixtrans-81.8127175.41750000109.7
558V41.5Very low40.5Very low119 Ų119142.4 Ų142.472%0.72179%0.791SS**PPolyproline II helixtrans-104127.6168.8176.80000108.7
559L43.8Very low40.7Very low165 Ų165140.7 Ų140.786%0.86478%0.78SS**  trans-121.6110.8164.3-94166.6000108
560N36.6Very low40.7Very low152 Ų152148.4 Ų148.481%0.81380%0.796SS**  trans-102.4130.2178.1-13013000108.6
561G40.2Very low40.5Very low75 Ų75148 Ų14877%0.77379%0.794SS**  trans-133.9125.6177.600000109.9
562I40.9Very low40.4Very low168 Ų168147.4 Ų147.486%0.86280%0.796SS**  trans-98.8139.6-170-62167.5000110
563G39.7Very low40.9Very low72 Ų72148.9 Ų148.974%0.74280%0.802SS**  trans-162.8134.9173.300000110.8
564D41.9Very low41.1Very low122 Ų122141.7 Ų141.765%0.65278%0.783SS**  trans-91.3145.3-162.9-94.2-74000115.9
565K37.8Very low41.8Very low177 Ų177140.6 Ų140.677%0.7778%0.778SS**  trans40.5104.4140.4-58.3170.2-175.398.70119
566E42.7Very low42.2Very low199 Ų199137.2 Ų137.293%0.9376%0.763SS**  trans-150.1150.5134-131.9174.3-14700111.6
567S39.3Very low42.7Very low117 Ų117138.5 Ų138.582%0.81876%0.764SS**  trans-98.2112.4-168.6480000113.2
568L41.1Very low43.6Very low170 Ų170134.4 Ų134.489%0.8975%0.748SS**  trans-88.4141.3174.5-75.2170.9000112.6
569P45.1Very low44.9Very low89 Ų89133.2 Ų133.258%0.57874%0.741SS**  trans-76.2145.9-179.331.2-35.3000112.5F571P569-F571 HydrophobicContact CG-CE2 4.01Å; P569-F571 PolarHBondContact O-N 3.07Å; P569-F571 VanDerWaalsContact O-N 3.11Å
570R36.5Very low46.5Very low242 Ų242128 Ų12891%0.91372%0.722SS**  trans-65106.2166.1-79.7178.2166.9172.4-5.1109.9L572R570-L572 PolarHBondContact O-N 3.27Å
571F37.5Very low48.4Very low188 Ų188127.9 Ų127.983%0.82572%0.716SS**PPolyproline II helixtrans-74.6120.7159.4-78.1-84.4000109.2P569 I573P569-F571 HydrophobicContact CG-CE2 4.01Å; P569-F571 PolarHBondContact O-N 3.07Å; P569-F571 VanDerWaalsContact O-N 3.11Å; F571-I573 PolarHBondContact O-N 2.88Å
572L39.4Very low50.5Low155 Ų155131 Ų13181%0.81271%0.711SS**PPolyproline II helixtrans-66.5126.8169.9-8369.3000108.6R570 D574R570-L572 PolarHBondContact O-N 3.27Å; L572-D574 PolarHBondContact O-N 3.25Å
573I47.4Very low52.7Low166 Ų166127.9 Ų127.985%0.85169%0.692SS**PPolyproline II helixtrans-76.5116.2155.1-61.9176.9000105.6F571 P575F571-I573 PolarHBondContact O-N 2.88Å; I573-P575 WeakPolarHBondContact O-CD 3.34Å
574D41.9Very low54.9Low99 Ų99130.4 Ų130.453%0.52969%0.688SS.*  trans-69.8115.6-175.2-169.7-18.6000110.6L572 A576 L577L572-D574 PolarHBondContact O-N 3.25Å; D574-A576 PolarHBondContact O-N 3.08Å; D574-A576 VanDerWaalsContact O-N 3.12Å; D574-A576 VanDerWaalsContact OD1-CB 3.28Å; D574-A576 WeakPolarHBondContact OD1-CB 3.42Å; D574-A576 PolarHBondContact OD1-N 2.93Å; D574-A576 VanDerWaalsContact OD1-N 3.09Å; D574-L577 PolarHBondContact O-N 3.14Å
575P54.7Low57.1Low103 Ų103127.4 Ų127.467%0.66968%0.681SS**THydrogen-bonded Turntrans-64.8-15.7-177.327.1-34.9000113.3I573 L577 G578I573-P575 WeakPolarHBondContact O-CD 3.34Å; P575-L577 PolarHBondContact O-N 3.41Å; P575-G578 PolarHBondContact O-N 3.39Å; P575-G578 VanDerWaalsContact O-N 3.14Å
576A54.4Low59.7Low61 Ų61123 Ų12350%0.50467%0.669SS.*Hα-helixtrans-58-28.6177.200000113.6D574 A580D574-A576 PolarHBondContact O-N 3.08Å; D574-A576 VanDerWaalsContact O-N 3.12Å; D574-A576 VanDerWaalsContact OD1-CB 3.28Å; D574-A576 WeakPolarHBondContact OD1-CB 3.42Å; D574-A576 PolarHBondContact OD1-N 2.93Å; D574-A576 VanDerWaalsContact OD1-N 3.09Å; A576-A580 PolarHBondContact O-N 2.98Å
577L52.9Low62.1Low137 Ų137118.7 Ų118.772%0.71765%0.647SS**Hα-helixtrans-71.7-27.6178.6-85.9166.7000113.7D574 P575D574-L577 PolarHBondContact O-N 3.14Å; P575-L577 PolarHBondContact O-N 3.41Å
578G59.8Low64.6Low46 Ų46122.6 Ų122.647%0.47464%0.644SS.*Hα-helixtrans-69.4-49.1176.600000111.8P575 A580 Q581 E582P575-G578 PolarHBondContact O-N 3.39Å; P575-G578 VanDerWaalsContact O-N 3.14Å; G578-A580 VanDerWaalsContact C-N 3.3Å; G578-A580 PolarHBondContact O-N 3.48Å; G578-Q581 PolarHBondContact O-N 3.07Å; G578-Q581 VanDerWaalsContact O-N 3.07Å; G578-E582 PolarHBondContact O-N 2.94Å
579V69.6Low66.9Low95 Ų95122.9 Ų122.958%0.57663%0.633SS**Hα-helixtrans-58.7-41.8-179.4-174.60000111.3Q581 E582 E583V579-Q581 VanDerWaalsContact C-N 3.28Å; V579-Q581 PolarHBondContact O-N 3.41Å; V579-E582 PolarHBondContact O-N 3.12Å; V579-E583 WeakPolarHBondContact O-CB 3.33Å; V579-E583 PolarHBondContact O-N 2.94Å
580A77.9Confident69.1Low56 Ų56123.4 Ų123.446%0.46363%0.628SS.*Hα-helixtrans-63-30.5178.200000113.6A576 G578 L584A576-A580 PolarHBondContact O-N 2.98Å; G578-A580 VanDerWaalsContact C-N 3.3Å; G578-A580 PolarHBondContact O-N 3.48Å; A580-L584 WeakPolarHBondContact O-CB 3.42Å; A580-L584 PolarHBondContact O-N 2.71Å
581Q76.6Confident71.7Confident149 Ų149116.9 Ų116.970%0.69661%0.61SS**Hα-helixtrans-77.9-36.8176.7-174.4173.1-13.600111.9G578 V579 A585G578-Q581 PolarHBondContact O-N 3.07Å; G578-Q581 VanDerWaalsContact O-N 3.07Å; V579-Q581 VanDerWaalsContact C-N 3.28Å; V579-Q581 PolarHBondContact O-N 3.41Å; Q581-A585 WeakPolarHBondContact O-CB 3.39Å; Q581-A585 PolarHBondContact O-N 2.97Å
582E84.3Confident74Confident140 Ų140114.7 Ų114.765%0.65460%0.603SS**Hα-helixtrans-71-40.5176.7-172.7164.5-154.600112.1G578 V579 L584 A585 T586G578-E582 PolarHBondContact O-N 2.94Å; V579-E582 PolarHBondContact O-N 3.12Å; E582-L584 VanDerWaalsContact C-N 3.32Å; E582-L584 PolarHBondContact O-N 3.49Å; E582-A585 PolarHBondContact O-N 3.15Å; E582-T586 WeakPolarHBondContact O-CB 3.49Å; E582-T586 PolarHBondContact O-N 3.46Å; E582-T586 PolarHBondContact O-OG1 3.46Å
583E86.9Confident76.3Confident102 Ų102113.2 Ų113.248%0.47759%0.592SS.*Hα-helixtrans-61.8-40.6173.7-161.7-162.4143.100111.4V579 T586 K587V579-E583 WeakPolarHBondContact O-CB 3.33Å; V579-E583 PolarHBondContact O-N 2.94Å; E583-T586 PolarHBondContact O-N 3.43Å; E583-K587 HydrophobicContact CG-CD 4.48Å; E583-K587 WeakPolarHBondContact O-CB 3.4Å; E583-K587 PolarHBondContact O-N 3.17Å; E583-K587 WeakPolarHBondContact OE1-CE 3.34Å; E583-K587 IonicContact OE1-NZ 3.76Å; E583-K587 PolarHBondContact OE1-NZ 3.5Å
584L85.3Confident78.1Confident125 Ų125111.8 Ų111.865%0.65458%0.581SS**Hα-helixtrans-65.2-40.1174.8-166.983.1000112.1A580 E582 R588A580-L584 WeakPolarHBondContact O-CB 3.42Å; A580-L584 PolarHBondContact O-N 2.71Å; E582-L584 VanDerWaalsContact C-N 3.32Å; E582-L584 PolarHBondContact O-N 3.49Å; L584-R588 WeakPolarHBondContact O-CB 3.46Å; L584-R588 PolarHBondContact O-N 3.1Å
585A88Confident79.8Confident60 Ų60113.6 Ų113.650%0.49659%0.59SS.*Hα-helixtrans-65.2-41.2176.300000111.6Q581 E582 R588 R589Q581-A585 WeakPolarHBondContact O-CB 3.39Å; Q581-A585 PolarHBondContact O-N 2.97Å; E582-A585 PolarHBondContact O-N 3.15Å; A585-R588 PolarHBondContact O-N 3.09Å; A585-R589 PolarHBondContact O-N 3.44Å; A585-R589 VanDerWaalsContact O-N 3.11Å
586T91.9Very high80.5Confident85 Ų85114.9 Ų114.952%0.52159%0.591SS.*Hα-helixtrans-65.7-50.6178.9-54.70000111E582 E583 R588 R589 E590E582-T586 WeakPolarHBondContact O-CB 3.49Å; E582-T586 PolarHBondContact O-N 3.46Å; E582-T586 PolarHBondContact O-OG1 3.46Å; E583-T586 PolarHBondContact O-N 3.43Å; T586-R588 PolarHBondContact O-N 3.01Å; T586-R589 PolarHBondContact O-N 3.08Å; T586-E590 PolarHBondContact O-N 2.88Å
587K93.3Very high80.8Confident107 Ų107117.1 Ų117.147%0.46560%0.6SS.*Hα-helixtrans-59.4-29.4174.4-79.4174.3171.2168.60113.3E583 L591E583-K587 HydrophobicContact CG-CD 4.48Å; E583-K587 WeakPolarHBondContact O-CB 3.4Å; E583-K587 PolarHBondContact O-N 3.17Å; E583-K587 WeakPolarHBondContact OE1-CE 3.34Å; E583-K587 IonicContact OE1-NZ 3.76Å; E583-K587 PolarHBondContact OE1-NZ 3.5Å; K587-L591 WeakPolarHBondContact O-CB 3.23Å; K587-L591 PolarHBondContact O-N 2.88Å
588R91.3Very high80.9Confident200 Ų200115.8 Ų115.876%0.75560%0.602SS**Hα-helixtrans-74.1-32175.4-166.5175.3-172.51782.1113L584 A585 T586 Q592L584-R588 WeakPolarHBondContact O-CB 3.46Å; L584-R588 PolarHBondContact O-N 3.1Å; A585-R588 PolarHBondContact O-N 3.09Å; T586-R588 PolarHBondContact O-N 3.01Å; R588-Q592 WeakPolarHBondContact O-CB 3.4Å; R588-Q592 PolarHBondContact O-N 3.17Å
589R91.1Very high80.5Confident176 Ų176119 Ų11966%0.66462%0.617SS**Hα-helixtrans-71.8-46.1171.3-179.2-179.6-89.7155.2-10.6110.7A585 T586 L591 Q592 E593A585-R589 PolarHBondContact O-N 3.44Å; A585-R589 VanDerWaalsContact O-N 3.11Å; T586-R589 PolarHBondContact O-N 3.08Å; R589-L591 PolarHBondContact O-N 3.36Å; R589-Q592 WeakPolarHBondContact O-CA 3.29Å; R589-Q592 WeakPolarHBondContact O-CB 3.47Å; R589-Q592 PolarHBondContact O-N 3.5Å; R589-E593 WeakPolarHBondContact CG-OE1 3.38Å; R589-E593 PolarHBondContact O-N 2.92Å
590E90Very high79.8Confident100 Ų100121.3 Ų121.347%0.46763%0.625SS.*Hα-helixtrans-57.6-45.5177.2-171.4-177.1-171.900112.2T586 Q592 E593 Q594T586-E590 PolarHBondContact O-N 2.88Å; E590-Q592 VanDerWaalsContact C-N 3.27Å; E590-Q592 PolarHBondContact O-N 3.03Å; E590-E593 PolarHBondContact O-N 3.2Å; E590-Q594 WeakPolarHBondContact O-CG 3.45Å; E590-Q594 PolarHBondContact O-N 2.89Å
591L90.6Very high79.2Confident105 Ų105123.7 Ų123.755%0.5564%0.636SS.*Hα-helixtrans-65.1-27.4173.5-101.9167.8000113.7K587 R589 L595K587-L591 WeakPolarHBondContact O-CB 3.23Å; K587-L591 PolarHBondContact O-N 2.88Å; R589-L591 PolarHBondContact O-N 3.36Å; L591-L595 WeakPolarHBondContact O-CB 3.39Å; L591-L595 WeakPolarHBondContact O-CD1 3.39Å; L591-L595 VanDerWaalsContact O-CG 3.26Å; L591-L595 WeakPolarHBondContact O-CG 3.38Å; L591-L595 PolarHBondContact O-N 3.46Å
592Q86.5Confident79.1Confident142 Ų142122.1 Ų122.166%0.66464%0.638SS**Hα-helixtrans-76.5-34.3176.9-173.6171.2-600111.4R588 R589 E590 L595R588-Q592 WeakPolarHBondContact O-CB 3.4Å; R588-Q592 PolarHBondContact O-N 3.17Å; R589-Q592 WeakPolarHBondContact O-CA 3.29Å; R589-Q592 WeakPolarHBondContact O-CB 3.47Å; R589-Q592 PolarHBondContact O-N 3.5Å; E590-Q592 VanDerWaalsContact C-N 3.27Å; E590-Q592 PolarHBondContact O-N 3.03Å; Q592-L595 PolarHBondContact O-N 3.48Å
593E88.1Confident78.4Confident123 Ų123120.9 Ų120.958%0.57564%0.643SS**Hα-helixtrans-72.1-39.2173.9-72167.5-169.200111.5R589 E590 L595 L596R589-E593 WeakPolarHBondContact CG-OE1 3.38Å; R589-E593 PolarHBondContact O-N 2.92Å; E590-E593 PolarHBondContact O-N 3.2Å; E593-L595 PolarHBondContact O-N 2.9Å; E593-L596 PolarHBondContact O-N 2.93Å
594Q84.5Confident77.8Confident137 Ų137122 Ų12264%0.6466%0.659SS**THydrogen-bonded Turntrans-67.5-15.1172.8-69.7179.921.300114.4E590E590-Q594 WeakPolarHBondContact O-CG 3.45Å; E590-Q594 PolarHBondContact O-N 2.89Å
595L78.7Confident77.3Confident136 Ų136120.5 Ų120.571%0.71267%0.665SS**THydrogen-bonded Turntrans-96.3-0.6177.3-77.7171.2000114L591 Q592 E593 P597L591-L595 WeakPolarHBondContact O-CB 3.39Å; L591-L595 WeakPolarHBondContact O-CD1 3.39Å; L591-L595 VanDerWaalsContact O-CG 3.26Å; L591-L595 WeakPolarHBondContact O-CG 3.38Å; L591-L595 PolarHBondContact O-N 3.46Å; Q592-L595 PolarHBondContact O-N 3.48Å; E593-L595 PolarHBondContact O-N 2.9Å; L595-P597 WeakPolarHBondContact O-CD 3.38Å
596L67.9Low76.7Confident130 Ų130123.2 Ų123.268%0.68168%0.677SS**SBendtrans-79.7116.7167.6-75.9165.8000109.1E593 S598E593-L596 PolarHBondContact O-N 2.93Å; L596-S598 PolarHBondContact O-N 3.47Å
597P62.3Low76Confident108 Ų108125 Ų12570%0.70169%0.69SS**PPolyproline II helixtrans-67.6126.6-177.227.1-33.7000110.6L595L595-P597 WeakPolarHBondContact O-CD 3.38Å
598S53.6Low75.3Confident109 Ų109125.3 Ų125.376%0.76270%0.703SS**PPolyproline II helixtrans-54.5141.3168.456.40000110.7L596 I600L596-S598 PolarHBondContact O-N 3.47Å; S598-I600 PolarHBondContact O-N 3.2Å
599S51.4Low74.5Confident113 Ų113121.3 Ų121.379%0.7970%0.703SS**  trans-34.6115.3-173560000115.1
600I55.2Low73.8Confident145 Ų145118.7 Ų118.774%0.74471%0.709SS**PPolyproline II helixtrans-69.9123.1163.7-59.7174.4000107.2S598S598-I600 PolarHBondContact O-N 3.2Å
601P65.5Low73Confident105 Ų105119.9 Ų119.968%0.68273%0.725SS**PPolyproline II helixtrans-67.4146.6175.928.5-34.2000110.6
602P74.3Confident71.8Confident116 Ų116119.7 Ų119.775%0.75374%0.738SS**PPolyproline II helixtrans-64146.6178.827.6-34.8000111.3
603P70.5Confident70.9Confident115 Ų115119.5 Ų119.575%0.74775%0.747SS**PPolyproline II helixtrans-65148.5175.528.6-34.8000111.1
604P74.8Confident69.6Low126 Ų126119.5 Ų119.582%0.81876%0.758SS**PPolyproline II helixtrans-64.5144.5178.227.6-34.8000111.5
605A74.7Confident68.2Low93 Ų93122.7 Ų122.777%0.76977%0.77SS**PPolyproline II helixtrans-66.3146.1179.200000112
606P74.5Confident67.1Low117 Ų117122.3 Ų122.376%0.7677%0.773SS**PPolyproline II helixtrans-67.2149.3175.129.2-35.1000111.5
607P77.5Confident66Low121 Ų121119.9 Ų119.979%0.78678%0.779SS**PPolyproline II helixtrans-68148.6177.929-35.1000111.8
608P77.7Confident65.3Low115 Ų115119.3 Ų119.375%0.74778%0.784SS**PPolyproline II helixtrans-70.4150.3179.229.8-35.4000112.1
609P75.8Confident64.9Low116 Ų116119.2 Ų119.275%0.75379%0.79SS**PPolyproline II helixtrans-69150.2174.429.9-35000111.7
610P75.6Confident64.7Low120 Ų120117 Ų11778%0.77979%0.785SS**PPolyproline II helixtrans-67.8149.6176.729-35000111.9
611P73Confident64.4Low125 Ų125116.9 Ų116.981%0.81279%0.791SS**PPolyproline II helixtrans-70.5137.3-176.328.7-35.1000112.3
612A66.8Low63.4Low101 Ų101117.1 Ų117.184%0.83580%0.802SS**PPolyproline II helixtrans-75.9131.2172.200000111
613V67.3Low61.9Low139 Ų139115.2 Ų115.284%0.84280%0.803SS**PPolyproline II helixtrans-81.2133.7171.7-76.60000110.7
614P60.9Low60.7Low123 Ų123117.9 Ų117.980%0.79981%0.806SS**PPolyproline II helixtrans-81.5150.7-178.433.1-35.3000112
615F55.1Low59.3Low204 Ų204118.9 Ų118.990%0.89580%0.804SS**  trans-123.1118.5166.8-142.9-89.2000110.4
616T55.6Low57.7Low127 Ų127118.2 Ų118.278%0.77981%0.806SS**  trans-74.2155.6172.7480000111.1
617G44.4Very low56.2Low79 Ų79117.7 Ų117.781%0.81481%0.805SS**  cis138.886.82.300000112.5
618A47.3Very low54.3Low96 Ų96119.8 Ų119.879%0.79381%0.809SS**  trans-160.5122.8168.400000107.3
619A45.3Very low52.6Low107 Ų107118.8 Ų118.888%0.88481%0.81SS**  70.3113.968.700000113.2
620G47.5Very low50.9Low67 Ų67119.4 Ų119.469%0.69182%0.817SS**  cis176.6-175.9-5.600000115.6
621T48.6Very low49.2Very low143 Ų143117.5 Ų117.588%0.87782%0.82SS**  trans62.3110.3157.953.90000123.2
622A43.5Very low47.6Very low110 Ų110119.9 Ų119.991%0.90982%0.824SS**  80.9148127.500000122.9
623G44.5Very low46.4Very low75 Ų75123.3 Ų123.377%0.77383%0.828SS**  trans96.188175.700000113.8
624Q44.5Very low45.1Very low172 Ų172123 Ų12380%0.80483%0.827SS**  85.2127.363-145.6-169.4-38.100114.6
625D45.4Very low44.8Very low147 Ų147123 Ų12379%0.78683%0.827SS**  trans62.3139.3167.1-53.3-31.9000120.9
626G41.1Very low43.9Very low78 Ų78119 Ų11980%0.80482%0.824SS**  trans14577.316400000120
627S41.8Very low43.3Very low106 Ų106121 Ų12174%0.74183%0.829SS**  trans14.1123.5149.3-175.50000122.5
628L39.2Very low43.1Very low166 Ų166128.6 Ų128.687%0.86983%0.833SS**  trans24.7117.2135.3-55.2170.2000120.2
629A42Very low42.7Very low94 Ų94129 Ų12978%0.77783%0.828SS**  176.4148.4115.200000114
630S39.9Very low43.5Very low128 Ų128130 Ų13090%0.89583%0.825SS**  trans34.2113.1150.4-56.60000121
631G39.3Very low43.2Very low81 Ų81134.8 Ų134.884%0.83583%0.832SS**  trans-169.1106.3166.600000114.5
632L39.2Very low43.3Very low174 Ų174135.5 Ų135.591%0.91183%0.829SS**  trans-64.4143.1172-67.5155.9000111.7
633L41.9Very low43.5Very low173 Ų173134.6 Ų134.691%0.90681%0.814SS**  trans-173.8119.5136.4-105164.9000111.8
634T39.3Very low43.4Very low133 Ų133139.7 Ų139.782%0.81682%0.815SS**  trans-105.8124.517133.80000110.7
635P54.7Low43.4Very low123 Ų123138.3 Ų138.380%0.79981%0.81SS**  trans-81.9130.9170.331.6-31.4000110.8
636S36.2Very low43.2Very low119 Ų119139.2 Ų139.283%0.83281%0.814SS**  trans-96.2128.5172.5-178.80000110.2
637L43.7Very low43.1Very low171 Ų171139.2 Ų139.290%0.89581%0.814SS**  trans-133.1120173.1-77.6171.3000110.5
638R41.2Very low43.2Very low238 Ų238137.9 Ų137.990%0.89882%0.817SS**PPolyproline II helixtrans-88.6159.3170.1-115.7-168.6153.5142.9-5.7110.1
639P37.4Very low43.1Very low105 Ų105134.8 Ų134.868%0.68282%0.815SS**PPolyproline II helixtrans-84.7160.3-167.935.3-36.3000113.4
640P61.8Low43Very low127 Ų127139.6 Ų139.683%0.82582%0.822SS**PPolyproline II helixtrans-72.7149.716332.6-34000111.5
641M41.5Very low43Very low168 Ų168137.8 Ų137.883%0.82882%0.815SS**  trans-117.6-179.1166.3-95.1-16172.200109.6
642L51Low42.8Very low157 Ų157138.7 Ų138.782%0.82281%0.814SS**  trans89.9156.4170.2-54173.7000115.2
643P48.9Very low42.8Very low91 Ų91135.4 Ų135.459%0.59181%0.812SS**  cis-141.9-178.3-34.134.1-15.6000115.3
644F42.5Very low42.6Very low182 Ų182132.1 Ų132.180%0.79881%0.81SS**  trans72.3148.6154.9-69.5-43.8000118.7
645M43.9Very low42.2Very low144 Ų144130.8 Ų130.871%0.70981%0.813SS**  cis-152.3161.53.8-98.6-116.2-163.400112.1
646L41.1Very low41.3Very low166 Ų166130 Ų13087%0.86982%0.817SS**  trans60.7139.5163.3-91.662.3000119.1
647G38.6Very low41.4Very low78 Ų78129 Ų12980%0.80482%0.816SS**  cis177.1155.1-7.600000113.4
648G44.2Very low40.9Very low77 Ų77128.8 Ų128.879%0.79481%0.814SS**  trans94.6111.4-177.800000113
649A37.8Very low41Very low101 Ų101122.1 Ų122.184%0.83580%0.802SS**  cis72.3124.846.500000113.1
650E39.6Very low40.9Very low195 Ų195123.2 Ų123.291%0.91181%0.807SS**  cis-98-168.3-4.4-64.8-151.282.300111.6
651A39.8Very low39.7Very low91 Ų91125.1 Ų125.175%0.75281%0.809SS**  cis-148.9-173.76.200000111.3
652A35.6Very low39.3Very low100 Ų100121 Ų12183%0.82680%0.802SS**  trans-147.4176.3-172.400000115.7
653A37.7Very low38.5Very low105 Ų105123 Ų12387%0.86881%0.807SS**  trans76.4133.9-178.100000115.9
654A37.3Very low37.8Very low103 Ų103124.4 Ų124.485%0.85182%0.819SS**  cis-143.8148.7-2.100000111.8
655A32Very low37.4Very low106 Ų106123.1 Ų123.188%0.87682%0.82SS**  trans-150.6112.3175.900000112.5
656A36Very low36.9Very low107 Ų107122.6 Ų122.688%0.88482%0.82SS**  trans-166143.6162.600000107.4
657A37.5Very low36.4Very low98 Ų98120.1 Ų120.181%0.8181%0.808SS**  cis-140.3167.82.800000112.6
658L34.2Very low36.2Very low165 Ų165126.6 Ų126.686%0.86481%0.808SS**  trans-123.1-175.4172.9-86.4170.6000107.3
659P43.1Very low35.7Very low99 Ų99130.4 Ų130.464%0.64381%0.809SS**  cis-133.8-156.8-20.2233.3000112.3
660T35.8Very low35.5Very low127 Ų127132.7 Ų132.778%0.77981%0.806SS**  trans81.9151.3159.173.60000117.4
661L35Very low35.3Very low168 Ų168125.9 Ų125.988%0.8878%0.78SS**  cis-133.3179.93.5-158.569.7000110.6
662A33.6Very low35Very low82 Ų82129.2 Ų129.268%0.67878%0.78SS**  trans-125.5-171.1-171.600000113.8
663Q34.8Very low34.9Very low197 Ų197128.8 Ų128.892%0.92177%0.772SS**  trans87146177.9-54.3172.9-17.100114.8
664S34.9Very low34.8Very low122 Ų122129.6 Ų129.685%0.85377%0.765SS**  cis-146.71730.957.90000114.6
665L33.5Very low34.8Very low154 Ų154132 Ų13281%0.80676%0.762SS**  trans-69.8159.7-171.6-69.1154.8000118.9
666N32.9Very low35Very low133 Ų133135.1 Ų135.171%0.71176%0.759SS**  97.1141.3129.5-91.428.6000126.4
667D31.3Very low35.2Very low115 Ų115135.3 Ų135.362%0.61575%0.751SS**  trans92123.6141.8-86-67.7000124.6
668R34.2Very low35.6Very low214 Ų214137 Ų13781%0.80875%0.753SS**  trans72.190.1139.5-71.8160.8-170.5-130-4.1124.4
669L32.5Very low35.8Very low157 Ų157135.7 Ų135.782%0.82275%0.753SS**  22.7141110.2-75171.6000122.9
670L34.4Very low35.6Very low148 Ų148135.8 Ų135.878%0.77576%0.756SS**  trans83.5103143.6-72.6162.6000122.2
671S35.2Very low36.1Very low52 Ų52134.9 Ų134.936%0.36475%0.752SS.*  174.8137.6122.634.90000108.7L895S671-L895 VanDerWaalsContact OG-CD2 3.31Å; S671-L895 WeakPolarHBondContact OG-CD2 3.44Å
672Q33.1Very low36Very low161 Ų161138.5 Ų138.575%0.75275%0.754SS**  cis64.713245.1-74.1-157.9800114.4
673S33.9Very low36.2Very low92 Ų92139.4 Ų139.464%0.64376%0.762SS**  cis-177.3-171.30.244.20000112.3
674V35.7Very low36.4Very low121 Ų121138 Ų13873%0.73376%0.759SS**  trans89.7154.6154.1-151.70000120.1
675I37.8Very low36.7Very low155 Ų155138.3 Ų138.380%0.79576%0.759SS**  trans92.5130.1161.8-50.8177.5000116.4
676Q35.5Very low36.8Very low170 Ų170134.2 Ų134.279%0.79475%0.754SS**  cis-166.2155.1-46-121.6-171.9-22.300108.5
677P40.1Very low36.9Very low112 Ų112132.6 Ų132.673%0.72776%0.759SS**PPolyproline II helixtrans-102.4153.7-177.937.8-32000114.4
678P46Very low37.5Very low132 Ų132134.9 Ų134.986%0.85777%0.769SS**PPolyproline II helixtrans-90.7149.8169.334.7-32.3000113.7
679T39.4Very low37.8Very low138 Ų138129.6 Ų129.685%0.84777%0.771SS**PPolyproline II helixtrans-79.3161.8-172.344.90000116.1
680S38.5Very low38.2Very low101 Ų101126 Ų12671%0.70677%0.772SS**PPolyproline II helixtrans-65.8165.3164.7-171.30000112.4
681P45.1Very low38.7Very low109 Ų109122.9 Ų122.971%0.70878%0.776SS**  -148.6146.6101.537.7-21000118.4
682W34.2Very low39.2Very low244 Ų244128.4 Ų128.492%0.92480%0.799SS**  trans35.1125.1134.2-62.367.4000122.7
683A36.7Very low40Very low101 Ų101125.7 Ų125.784%0.83580%0.796SS**  -174.4145.7126.400000114.1
684L39.6Very low40.5Very low166 Ų166128.5 Ų128.587%0.86980%0.803SS**  trans-115.3148.9162.9-87.2166.4000107.6
685P41.2Very low40.8Very low130 Ų130129.9 Ų129.984%0.84480%0.803SS**  -144.8-171.774.333.1-10.9000113.1
686G35.5Very low41.4Very low68 Ų68126.9 Ų126.970%0.70179%0.794SS**  cis146.8112.1-11.600000114.3
687A35.3Very low42Very low98 Ų98124.4 Ų124.481%0.8179%0.79SS**  trans60.7146163.400000121.4
688I44.4Very low42.4Very low163 Ų163127.8 Ų127.884%0.83680%0.799SS**  172.3127.1116.1-86.9161.3000113.3
689A39.7Very low42.2Very low103 Ų103124.6 Ų124.685%0.85179%0.789SS**  trans31.2148.1151.800000125.6
690G40.9Very low42.4Very low82 Ų82129.8 Ų129.885%0.84579%0.794SS**  trans165.887.1149.800000119.5
691G44.8Very low42.6Very low82 Ų82129.8 Ų129.885%0.84579%0.793SS**  trans101.4112.4147.700000121.2
692I45.2Very low42.7Very low168 Ų168133.3 Ų133.386%0.86280%0.802SS**  trans-129.3-166.8155.8-10.1174.3000107.4
693P50.2Low43.1Very low104 Ų104130.2 Ų130.268%0.67580%0.798SS**  cis-113.1-156.916.226.10.1000112
694L44Very low43.1Very low151 Ų151131.4 Ų131.479%0.79179%0.791SS**  cis-138.4159.716.5-76.7165.8000108.8
695M41.8Very low43.2Very low151 Ų151131.8 Ų131.874%0.74479%0.788SS**  cis88.3141.832.6-65.2-809200115.5
696P52.4Low42.9Very low92 Ų92132.6 Ų132.660%0.59778%0.784SS**  cis-146.6-162.7-23.340.3-19.8000115.5
697T46.3Very low42.9Very low118 Ų118139 Ų13972%0.72479%0.787SS**  trans68.9132.1155.644.60000119.4
698M48.3Very low43.1Very low183 Ų183141.3 Ų141.390%0.90179%0.786SS**  cis-144.3174.9-1.8-63.4-158.1-174.100109.2
699G42.9Very low42.8Very low64 Ų64137.4 Ų137.466%0.6679%0.786SS**  cis135.8149.5-5.300000113.7
700R44.2Very low42.4Very low248 Ų248136.2 Ų136.294%0.93678%0.783SS**  trans73.5148.2-176.4-62.2-171.6-178-147.60116.5
701S41.9Very low42.9Very low100 Ų100138.2 Ų138.270%0.69978%0.781SS**  cis179.4150.3-18.456.90000107.8
702M48.1Very low42.7Very low183 Ų183142.6 Ų142.690%0.90179%0.785SS**  cis-139.71766.7-60.2179.5-65.500109.7
703Q41.3Very low42.4Very low179 Ų179138.4 Ų138.484%0.83678%0.775SS**  trans-150-151.8164.6-148.6163.77.800109
704D37.4Very low42Very low127 Ų127138.4 Ų138.468%0.67978%0.784SS**  trans72.4156.7175.7-46.8-39.5000116.4
705H42Very low41.6Very low174 Ų174134.3 Ų134.381%0.80678%0.778SS**  cis-126.6154.41.4-48.5-98.2000108.4
706L35.1Very low41.6Very low146 Ų146134.5 Ų134.576%0.76478%0.781SS**  cis78.3122.124.4-14790.9000116.9
707R35.4Very low41.2Very low204 Ų204137.2 Ų137.277%0.7779%0.786SS**  trans85.2153.9156-121.4-169.4-178.6119.50.6120.1
708D39.4Very low40.9Very low145 Ų145140.4 Ų140.478%0.77579%0.79SS**  trans61.9144.1164.6-47.8-34.2000118.2
709G37.3Very low40.3Very low81 Ų81135 Ų13584%0.83578%0.782SS**  cis164.5153.5-9.800000112.3
710G32.6Very low40.2Very low78 Ų78137.9 Ų137.980%0.80479%0.788SS**  trans127.9148.6165.100000117.4
711P49.7Very low40.5Very low124 Ų124131.4 Ų131.481%0.80578%0.779SS**  trans-120.7-177.5-177.943.9-33000114.3
712L41.2Very low40.6Very low174 Ų174132.9 Ų132.991%0.91178%0.783SS**  trans161.6158.3148.8-86.7160.4000108.5
713A38.9Very low40.7Very low81 Ų81129.4 Ų129.467%0.66977%0.774SS**  cis-170.2171.9-37.700000110.3
714A41.6Very low40.9Very low104 Ų104125.8 Ų125.886%0.8677%0.766SS**  trans67.6138.9-17600000115.2
715G36.8Very low41Very low64 Ų64126.5 Ų126.566%0.6678%0.776SS**  cis105133.710.700000110.6
716L41.3Very low40.7Very low156 Ų156122 Ų12282%0.81778%0.776SS**  cis-153.317519-58.2172.5000109
717Q43.1Very low40.7Very low148 Ų148119.8 Ų119.869%0.69278%0.779SS**  cis-152.9-114.71.5-139.1174.124.500114.4
718F40.2Very low40.7Very low186 Ų186115.5 Ų115.582%0.81678%0.78SS**  trans-96.1173.5-173.6-51.3-73.8000112.8
719G35.8Very low40.6Very low70 Ų70115.5 Ų115.572%0.72278%0.78SS**  cis-174.7-177.15.700000113.5
720P42Very low40.6Very low123 Ų123119.8 Ų119.880%0.79978%0.783SS**  trans-121.8-167.6-160.443.8-31.9000114.7
721P49.2Very low40.8Very low113 Ų113122.7 Ų122.773%0.73478%0.78SS**  cis-132.8-159.5-47.833.4-11.9000113.5
722V45.3Very low40.2Very low131 Ų131124.9 Ų124.979%0.79478%0.783SS**  trans97.4134.1162.1-1700000117.5
723P48.7Very low40.3Very low109 Ų109127.9 Ų127.971%0.70878%0.783SS**  trans-109-174-176.246.4-38000113.1
724P45.4Very low40.5Very low104 Ų104129.6 Ų129.668%0.67579%0.787SS**  -155.3-177.982.842.2-21.9000117.1
725T39.7Very low40.4Very low142 Ų142134.6 Ų134.687%0.87179%0.79SS**  trans60.1133.2155.347.60000121.8
726G37Very low40.5Very low80 Ų80137.4 Ų137.483%0.82580%0.8SS**  trans156.7101.5162.500000113.6
727A35Very low40.9Very low99 Ų99138 Ų13882%0.81880%0.802SS**  trans-80.3144.5-172.200000114.6
728S34.4Very low41.5Very low114 Ų114135.2 Ų135.280%0.79779%0.793SS**  trans176.6132134.7-81.20000112.9
729L38Very low42.4Very low145 Ų145131.7 Ų131.776%0.75979%0.788SS**  trans151.184.7138.1-83.2167.5000112.2L731L729-L731 HydrophobicContact CB-CD1 4.45Å; L729-L731 HydrophobicContact CD2-CD1 4.15Å; L729-L731 HydrophobicContact CD2-CG 4.3Å; L729-L731 PolarHBondContact O-N 3.02Å
730D37.1Very low43.6Very low170 Ų170133.7 Ų133.791%0.90978%0.782SS**  trans-75.9109.6160.8-98.8-48.3000109.5
731L35.9Very low44Very low140 Ų140136.5 Ų136.573%0.73378%0.778SS**  trans-120.240.7-177.1-87.6171.8000113.2L729L729-L731 HydrophobicContact CB-CD1 4.45Å; L729-L731 HydrophobicContact CD2-CD1 4.15Å; L729-L731 HydrophobicContact CD2-CG 4.3Å; L729-L731 PolarHBondContact O-N 3.02Å
732L38.2Very low43.8Very low169 Ų169138.2 Ų138.289%0.88578%0.781SS**  trans-135.784.2175.2-72176.9000113.1
733R42.5Very low44.1Very low238 Ų238135.8 Ų135.890%0.89877%0.774SS**  trans-137.6144.3155-95-171.6173.6179-0.8110.7
734P42.8Very low44.2Very low117 Ų117141.1 Ų141.176%0.7678%0.78SS**PPolyproline II helixtrans-79154.9-172.332.3-36.1000113.1S736P734-S736 PolarHBondContact O-N 3.37Å
735F40.3Very low44.3Very low208 Ų208143 Ų14391%0.91278%0.784SS**PPolyproline II helixtrans-63.6128.7176.3-67.3-92.9000111.9
736S39.5Very low44.6Very low124 Ų124144.3 Ų144.387%0.86778%0.78SS**PPolyproline II helixtrans-95122.3162.7-61.20000108.7P734P734-S736 PolarHBondContact O-N 3.37Å
737L49.8Very low45.4Very low167 Ų167145.2 Ų145.287%0.87477%0.771SS**PPolyproline II helixtrans-89.8138.2176.1-82.7162.4000110.8
738D54.8Low46Very low91 Ų91146.7 Ų146.749%0.48777%0.772SS.*PPolyproline II helixtrans-70.8123.3-179.1-176.4-17.2000110.9N740 Y741D738-N740 PolarHBondContact O-N 3.4Å; D738-N740 VanDerWaalsContact O-N 3.1Å; D738-N740 WeakPolarHBondContact OD1-CB 3.4Å; D738-N740 PolarHBondContact OD1-N 2.86Å; D738-N740 PolarHBondContact OD1-ND2 2.99Å; D738-Y741 PolarHBondContact O-N 3.38Å
739P59.4Low46.4Very low112 Ų112147.8 Ų147.873%0.72777%0.774SS**G310 helixtrans-61.6-17.2179.725.7-35.2000114.2Y741P739-Y741 VanDerWaalsContact C-N 3.28Å; P739-Y741 PolarHBondContact O-N 2.9Å
740N61.1Low46.8Very low111 Ų111145.1 Ų145.159%0.59477%0.773SS**G310 helixtrans-74.7-12.3-178.4-65.2-77.5000114.2D738 L742 A743D738-N740 PolarHBondContact O-N 3.4Å; D738-N740 VanDerWaalsContact O-N 3.1Å; D738-N740 WeakPolarHBondContact OD1-CB 3.4Å; D738-N740 PolarHBondContact OD1-N 2.86Å; D738-N740 PolarHBondContact OD1-ND2 2.99Å; N740-L742 VanDerWaalsContact C-N 3.34Å; N740-L742 PolarHBondContact O-N 2.94Å; N740-A743 PolarHBondContact O-N 3.19Å
741Y49.1Very low46.9Very low182 Ų182145 Ų14571%0.71477%0.773SS**G310 helixtrans-71.3-25-175.4-120.7-92.8000114.2D738 P739 A743D738-Y741 PolarHBondContact O-N 3.38Å; P739-Y741 VanDerWaalsContact C-N 3.28Å; P739-Y741 PolarHBondContact O-N 2.9Å; Y741-A743 VanDerWaalsContact C-N 3.35Å
742L46.7Very low46.8Very low150 Ų150142.4 Ų142.479%0.78578%0.779SS**G310 helixtrans-74.1-23.7176.7-81.2166000113.3N740 R744N740-L742 VanDerWaalsContact C-N 3.34Å; N740-L742 PolarHBondContact O-N 2.94Å; L742-R744 PolarHBondContact O-N 2.93Å
743A51.7Low46.7Very low79 Ų79137.5 Ų137.565%0.65377%0.77SS**G310 helixtrans-74.5-0.2179.900000114.1N740 Y741N740-A743 PolarHBondContact O-N 3.19Å; Y741-A743 VanDerWaalsContact C-N 3.35Å
744R48.9Very low46.4Very low221 Ų221135.5 Ų135.583%0.83477%0.773SS**G310 helixtrans-114.47.7-175.3-71.1-172.1167.9-155.3-3.8115.1L742L742-R744 PolarHBondContact O-N 2.93Å
745L47.5Very low46.2Very low144 Ų144139.4 Ų139.475%0.75478%0.778SS**SBendtrans-115.610.9179.8-68.3175.4000113.9
746Q46.5Very low46.3Very low169 Ų169141 Ų14179%0.7978%0.778SS**PPolyproline II helixtrans-88.6121.1176.6-165.7168.38.700110.1
747P53.6Low46.9Very low99 Ų99140.2 Ų140.264%0.64377%0.768SS**PPolyproline II helixtrans-71.3152.1177.430.2-34.9000111.1V749P747-V749 PolarHBondContact O-N 3.46Å
748P48.9Very low47Very low130 Ų130135.7 Ų135.784%0.84476%0.755SS**PPolyproline II helixtrans-69.6119.7-179.928.5-34000110.9A750P748-A750 PolarHBondContact O-N 2.93Å
749V42.9Very low47.2Very low138 Ų138133.9 Ų133.984%0.83676%0.757SS**  trans-81.8108165.4-179.70000107.3P747P747-V749 PolarHBondContact O-N 3.46Å
750A44.7Very low47.3Very low89 Ų89134.7 Ų134.774%0.73676%0.755SS**  trans-92150171.800000110.7P748P748-A750 PolarHBondContact O-N 2.93Å
751D40.6Very low47.8Very low168 Ų168134.1 Ų134.190%0.89875%0.752SS**  trans-69.1150.1-169.7-65.7-74.8000115.8
752G32.6Very low48.9Very low85 Ų85129 Ų12988%0.87674%0.743SS**  trans70.177.3143.400000118.7
753G37.1Very low50.3Low66 Ų66126.4 Ų126.468%0.6873%0.733SS**  trans-156.4106.8168.200000114.7F755G753-F755 PolarHBondContact O-N 3.33Å
754M35.9Very low51.7Low195 Ų195127 Ų12796%0.96173%0.725SS**  trans-78102.5174.6-72.3-128.1-64.400111.8
755F39.4Very low53.4Low199 Ų199122.4 Ų122.487%0.87372%0.716SS**  trans-114.2143.9169.3-87.1-89.2000112.3G753G753-F755 PolarHBondContact O-N 3.33Å
756R42.6Very low55.3Low241 Ų241120.8 Ų120.891%0.90971%0.705SS**  trans-86.1113.6-162.9-59179.5-178.6-166.7-0.2112.3
757T50.3Low57.2Low109 Ų109121 Ų12167%0.66970%0.698SS**  trans-76.2-19.3172.946.90000114.4G759 L760T757-G759 PolarHBondContact O-N 3.44Å; T757-L760 PolarHBondContact O-N 2.9Å; T757-L760 VanDerWaalsContact O-N 3.09Å
758A53.3Low59Low72 Ų72121.2 Ų121.260%0.59569%0.694SS**Hα-helixtrans-54.9-14.2-16800000117.3
759G58.5Low61Low52 Ų52119.3 Ų119.354%0.53667%0.674SS.*Hα-helixtrans-73.2-36.8175.200000114T757 V763T757-G759 PolarHBondContact O-N 3.44Å; G759-V763 PolarHBondContact O-N 2.91Å
760L60.3Low63.3Low129 Ų129117.9 Ų117.968%0.67566%0.658SS**Hα-helixtrans-74.6-40.8-176.2-93.7163.4000112.3T757 S762 V763 L764T757-L760 PolarHBondContact O-N 2.9Å; T757-L760 VanDerWaalsContact O-N 3.09Å; L760-S762 VanDerWaalsContact C-N 3.31Å; L760-S762 PolarHBondContact O-N 3.03Å; L760-V763 PolarHBondContact O-N 3.46Å; L760-L764 WeakPolarHBondContact O-CG 3.3Å; L760-L764 PolarHBondContact O-N 3.01Å
761D73.2Confident65.5Low100 Ų100118.5 Ų118.554%0.53565%0.649SS.*Hα-helixtrans-63.4-37.6178.7-60.9-47.8000111.7L764 L765D761-L764 PolarHBondContact O-N 3.47Å; D761-L765 VanDerWaalsContact O-CB 3.3Å; D761-L765 WeakPolarHBondContact O-CB 3.4Å; D761-L765 PolarHBondContact O-N 3.03Å
762S72.2Confident67.9Low75 Ų75114.9 Ų114.952%0.52463%0.628SS.*Hα-helixtrans-63.6-45177.5-164.50000112.4L760 L765 E766L760-S762 VanDerWaalsContact C-N 3.31Å; L760-S762 PolarHBondContact O-N 3.03Å; S762-L765 PolarHBondContact O-N 3.24Å; S762-E766 PolarHBondContact O-N 3.37Å
763V76.1Confident70.6Confident94 Ų94117.6 Ų117.657%0.5761%0.612SS**Hα-helixtrans-68.3-35.9177.91760000111.5G759 L760 R767G759-V763 PolarHBondContact O-N 2.91Å; L760-V763 PolarHBondContact O-N 3.46Å; V763-R767 WeakPolarHBondContact O-CB 3.42Å; V763-R767 PolarHBondContact O-N 3.23Å; V763-R767 VanDerWaalsContact O-N 3.09Å
764L80.6Confident73.2Confident91 Ų91120.5 Ų120.548%0.47661%0.606SS.*Hα-helixtrans-69-36.8173.1-73.1171.8000112L760 D761 N768L760-L764 WeakPolarHBondContact O-CG 3.3Å; L760-L764 PolarHBondContact O-N 3.01Å; D761-L764 PolarHBondContact O-N 3.47Å; L764-N768 WeakPolarHBondContact O-CB 3.48Å; L764-N768 PolarHBondContact O-N 2.89Å; L764-N768 VanDerWaalsContact O-N 3.08Å; L764-N768 PolarHBondContact O-ND2 3Å
765L84.6Confident75.8Confident125 Ų125117.5 Ų117.565%0.65459%0.59SS**Hα-helixtrans-64.7-50.8176.1-167.772.5000110.8D761 S762 R767 N768 E769D761-L765 VanDerWaalsContact O-CB 3.3Å; D761-L765 WeakPolarHBondContact O-CB 3.4Å; D761-L765 PolarHBondContact O-N 3.03Å; S762-L765 PolarHBondContact O-N 3.24Å; L765-R767 PolarHBondContact O-N 2.82Å; L765-N768 PolarHBondContact O-N 2.89Å; L765-N768 VanDerWaalsContact O-N 3.15Å; L765-E769 PolarHBondContact O-N 2.99Å
766E88.4Confident78.2Confident111 Ų111113.7 Ų113.752%0.51958%0.575SS.*Hα-helixtrans-58.5-45.8178.5-167.5-169.7161.300111.5S762 N768 E769 Q770S762-E766 PolarHBondContact O-N 3.37Å; E766-N768 VanDerWaalsContact C-N 3.31Å; E766-N768 PolarHBondContact O-N 3.37Å; E766-E769 PolarHBondContact O-N 3.48Å; E766-E769 VanDerWaalsContact O-N 3.16Å; E766-Q770 WeakPolarHBondContact O-CG 3.36Å; E766-Q770 PolarHBondContact O-N 2.98Å; E766-Q770 PolarHBondContact OE1-NE2 2.94Å
767R86.5Confident80.3Confident173 Ų173108.7 Ų108.765%0.65356%0.562SS**Hα-helixtrans-62.2-36.6177.8-174176.9-178177.52.9112.8V763 L765 L771V763-R767 WeakPolarHBondContact O-CB 3.42Å; V763-R767 PolarHBondContact O-N 3.23Å; V763-R767 VanDerWaalsContact O-N 3.09Å; L765-R767 PolarHBondContact O-N 2.82Å; R767-L771 PolarHBondContact O-N 3.24Å
768N90.7Very high82Confident103 Ų103109 Ų10955%0.55156%0.557SS**Hα-helixtrans-70.6-36.6175.2-79.9-58000111.9L764 L765 E766 L771 L772L764-N768 WeakPolarHBondContact O-CB 3.48Å; L764-N768 PolarHBondContact O-N 2.89Å; L764-N768 VanDerWaalsContact O-N 3.08Å; L764-N768 PolarHBondContact O-ND2 3Å; L765-N768 PolarHBondContact O-N 2.89Å; L765-N768 VanDerWaalsContact O-N 3.15Å; E766-N768 VanDerWaalsContact C-N 3.31Å; E766-N768 PolarHBondContact O-N 3.37Å; N768-L771 WeakPolarHBondContact O-CB 3.32Å; N768-L771 PolarHBondContact O-N 3.41Å; N768-L772 PolarHBondContact O-N 2.99Å
769E91.3Very high83.3Confident91 Ų91108.4 Ų108.443%0.42555%0.552SS.*Hα-helixtrans-68.8-42.2177-156.2-166.6146.100112L765 E766 L771 L772 R773L765-E769 PolarHBondContact O-N 2.99Å; E766-E769 PolarHBondContact O-N 3.48Å; E766-E769 VanDerWaalsContact O-N 3.16Å; E769-L771 VanDerWaalsContact C-N 3.3Å; E769-L771 PolarHBondContact O-N 3.31Å; E769-L772 WeakPolarHBondContact O-CB 3.48Å; E769-L772 PolarHBondContact O-N 2.96Å; E769-L772 VanDerWaalsContact O-N 3.12Å; E769-R773 WeakPolarHBondContact O-CG 3.49Å; E769-R773 PolarHBondContact O-N 3.41Å; E769-R773 IonicContact OE1-CZ 3.72Å; E769-R773 VanDerWaalsContact OE1-CZ 3.26Å; E769-R773 IonicContact OE1-NE 3.22Å; E769-R773 PolarHBondContact OE1-NE 3.01Å; E769-R773 VanDerWaalsContact OE1-NE 3.09Å; E769-R773 IonicContact OE1-NH2 2.92Å; E769-R773 PolarHBondContact OE1-NH2 2.89Å
770Q89.8Confident84.3Confident108 Ų108108.5 Ų108.551%0.50555%0.548SS..Hα-helixtrans-58.3-41.9172.7-68.9177.512.800111.6E766 L772 R773 F774E766-Q770 WeakPolarHBondContact O-CG 3.36Å; E766-Q770 PolarHBondContact O-N 2.98Å; E766-Q770 PolarHBondContact OE1-NE2 2.94Å; Q770-L772 VanDerWaalsContact C-N 3.34Å; Q770-L772 PolarHBondContact O-N 3.24Å; Q770-R773 PolarHBondContact O-N 3.01Å; Q770-F774 PolarHBondContact O-N 3.26Å; Q770-F774 VanDerWaalsContact O-N 3.07Å
771L91.2Very high85Confident102 Ų102105.2 Ų105.253%0.53454%0.54SS..Hα-helixtrans-63.2-36.7174.4-101.4163.4000113.1R767 N768 E769 Q775R767-L771 PolarHBondContact O-N 3.24Å; N768-L771 WeakPolarHBondContact O-CB 3.32Å; N768-L771 PolarHBondContact O-N 3.41Å; E769-L771 VanDerWaalsContact C-N 3.3Å; E769-L771 PolarHBondContact O-N 3.31Å; L771-Q775 PolarHBondContact O-N 3.13Å; L771-Q775 VanDerWaalsContact O-N 3.11Å
772L91.7Very high85.1Confident91 Ų91103.4 Ų103.448%0.47654%0.539SS..Hα-helixtrans-68.1-49.1177-167.969.7000111N768 E769 Q770 F774 Q775 E776N768-L772 PolarHBondContact O-N 2.99Å; E769-L772 WeakPolarHBondContact O-CB 3.48Å; E769-L772 PolarHBondContact O-N 2.96Å; E769-L772 VanDerWaalsContact O-N 3.12Å; Q770-L772 VanDerWaalsContact C-N 3.34Å; Q770-L772 PolarHBondContact O-N 3.24Å; L772-F774 VanDerWaalsContact C-N 3.3Å; L772-F774 PolarHBondContact O-N 3.14Å; L772-Q775 WeakPolarHBondContact O-CB 3.5Å; L772-Q775 PolarHBondContact O-N 3.48Å; L772-E776 WeakPolarHBondContact O-CG 3.31Å; L772-E776 PolarHBondContact O-N 3.49Å
773R90.1Very high85Confident143 Ų143102.1 Ų102.154%0.5453%0.532SS..Hα-helixtrans-58.2-40.1177.4-65.7176.7-171.8-170.64.8112E769 Q770 E776 Q777E769-R773 WeakPolarHBondContact O-CG 3.49Å; E769-R773 PolarHBondContact O-N 3.41Å; E769-R773 IonicContact OE1-CZ 3.72Å; E769-R773 VanDerWaalsContact OE1-CZ 3.26Å; E769-R773 IonicContact OE1-NE 3.22Å; E769-R773 PolarHBondContact OE1-NE 3.01Å; E769-R773 VanDerWaalsContact OE1-NE 3.09Å; E769-R773 IonicContact OE1-NH2 2.92Å; E769-R773 PolarHBondContact OE1-NH2 2.89Å; Q770-R773 PolarHBondContact O-N 3.01Å; R773-E776 PolarHBondContact O-N 2.89Å; R773-Q777 WeakPolarHBondContact O-CG 3.38Å; R773-Q777 PolarHBondContact O-N 3.4Å
774F90.1Very high84.7Confident126 Ų126102 Ų10255%0.55353%0.531SS*.Hα-helixtrans-65.2-39.9174.6-179.2-104.4000112.5Q770 L772 Q777 M778Q770-F774 PolarHBondContact O-N 3.26Å; Q770-F774 VanDerWaalsContact O-N 3.07Å; L772-F774 VanDerWaalsContact C-N 3.3Å; L772-F774 PolarHBondContact O-N 3.14Å; F774-Q777 PolarHBondContact O-N 3.49Å; F774-M778 HydrophobicContact CD1-CG 4.48Å; F774-M778 HydrophobicContact CE1-CG 4.08Å; F774-M778 HydrophobicContact CE2-CG 4.41Å; F774-M778 HydrophobicContact CZ-CG 4.04Å; F774-M778 HydrophobicContact CZ-SD 4.42Å; F774-M778 WeakPolarHBondContact O-CG 3.37Å; F774-M778 PolarHBondContact O-N 2.96Å
775Q91.4Very high83.9Confident132 Ų132101 Ų10162%0.61754%0.537SS*.Hα-helixtrans-65.6-37.9175.1176.2159.791.600112.3L771 L772 M778 A779L771-Q775 PolarHBondContact O-N 3.13Å; L771-Q775 VanDerWaalsContact O-N 3.11Å; L772-Q775 WeakPolarHBondContact O-CB 3.5Å; L772-Q775 PolarHBondContact O-N 3.48Å; Q775-M778 PolarHBondContact O-N 3.48Å; Q775-A779 WeakPolarHBondContact O-CB 3.34Å; Q775-A779 PolarHBondContact O-N 2.94Å
776E89.8Confident82.6Confident120 Ų12099.2 Ų99.256%0.56154%0.535SS*.Hα-helixtrans-66.1-42.3174.9-70.7177.9156.300112.1L772 R773 A779 A780L772-E776 WeakPolarHBondContact O-CG 3.31Å; L772-E776 PolarHBondContact O-N 3.49Å; R773-E776 PolarHBondContact O-N 2.89Å; E776-A779 PolarHBondContact O-N 3.14Å; E776-A780 WeakPolarHBondContact O-CB 3.29Å; E776-A780 PolarHBondContact O-N 2.92Å
777Q87.5Confident81Confident135 Ų135100.5 Ų100.563%0.63155%0.545SS*.Hα-helixtrans-60.7-45.7173.8-73.9175.3-11.600112.1R773 F774 A779 A780 A781R773-Q777 WeakPolarHBondContact O-CG 3.38Å; R773-Q777 PolarHBondContact O-N 3.4Å; F774-Q777 PolarHBondContact O-N 3.49Å; Q777-A779 VanDerWaalsContact C-N 3.34Å; Q777-A779 PolarHBondContact O-N 3.46Å; Q777-A780 PolarHBondContact O-N 3.3Å; Q777-A781 WeakPolarHBondContact O-CB 3.41Å; Q777-A781 PolarHBondContact O-N 3.33Å
778M84Confident79.2Confident116 Ų116100 Ų10057%0.57155%0.552SS**Hα-helixtrans-63.3-38175.4-74.5-70.8-74.700112.4F774 Q775 A782F774-M778 HydrophobicContact CD1-CG 4.48Å; F774-M778 HydrophobicContact CE1-CG 4.08Å; F774-M778 HydrophobicContact CE2-CG 4.41Å; F774-M778 HydrophobicContact CZ-CG 4.04Å; F774-M778 HydrophobicContact CZ-SD 4.42Å; F774-M778 WeakPolarHBondContact O-CG 3.37Å; F774-M778 PolarHBondContact O-N 2.96Å; Q775-M778 PolarHBondContact O-N 3.48Å; M778-A782 WeakPolarHBondContact O-CB 3.32Å; M778-A782 PolarHBondContact O-N 3.33Å
779A81.1Confident76.7Confident59 Ų5998 Ų9849%0.48856%0.556SS.*Hα-helixtrans-68.5-39.5175.800000112.4Q775 E776 Q777 A782 A783Q775-A779 WeakPolarHBondContact O-CB 3.34Å; Q775-A779 PolarHBondContact O-N 2.94Å; E776-A779 PolarHBondContact O-N 3.14Å; Q777-A779 VanDerWaalsContact C-N 3.34Å; Q777-A779 PolarHBondContact O-N 3.46Å; A779-A782 PolarHBondContact O-N 2.87Å; A779-A783 WeakPolarHBondContact O-CB 3.46Å; A779-A783 PolarHBondContact O-N 2.9Å
780A79.1Confident74.2Confident55 Ų55101.3 Ų101.346%0.45558%0.575SS.*Hα-helixtrans-64.9-44.8175.100000111.7E776 Q777 A782 A783 V784E776-A780 WeakPolarHBondContact O-CB 3.29Å; E776-A780 PolarHBondContact O-N 2.92Å; Q777-A780 PolarHBondContact O-N 3.3Å; A780-A782 PolarHBondContact O-N 2.75Å; A780-A783 PolarHBondContact O-N 2.84Å; A780-V784 WeakPolarHBondContact O-CG2 3.43Å; A780-V784 PolarHBondContact O-N 3.39Å
781A76.3Confident71.9Confident60 Ų60104.3 Ų104.350%0.49659%0.594SS.*Hα-helixtrans-59.7-44.5174.800000111.9Q777 A783 V784 A785Q777-A781 WeakPolarHBondContact O-CB 3.41Å; Q777-A781 PolarHBondContact O-N 3.33Å; A781-A783 PolarHBondContact O-N 2.99Å; A781-V784 PolarHBondContact O-N 3.25Å; A781-A785 WeakPolarHBondContact O-CB 3.4Å; A781-A785 PolarHBondContact O-N 3.24Å
782A75.4Confident69.4Low62 Ų62103.3 Ų103.351%0.51261%0.608SS.*Hα-helixtrans-64-38.1174.900000112.7M778 A779 A780 S786M778-A782 WeakPolarHBondContact O-CB 3.32Å; M778-A782 PolarHBondContact O-N 3.33Å; A779-A782 PolarHBondContact O-N 2.87Å; A780-A782 PolarHBondContact O-N 2.75Å; A782-S786 WeakPolarHBondContact O-CB 3.42Å; A782-S786 PolarHBondContact O-N 3.38Å; A782-S786 PolarHBondContact O-OG 2.87Å
783A69.7Low66.6Low47 Ų47102.5 Ų102.539%0.38862%0.623SS.*Hα-helixtrans-64.9-45176.300000111.9A779 A780 A781 S786 N787A779-A783 WeakPolarHBondContact O-CB 3.46Å; A779-A783 PolarHBondContact O-N 2.9Å; A780-A783 PolarHBondContact O-N 2.84Å; A781-A783 PolarHBondContact O-N 2.99Å; A783-S786 PolarHBondContact O-N 2.95Å; A783-S786 PolarHBondContact O-OG 3.24Å; A783-N787 PolarHBondContact O-N 3.3Å; A783-N787 PolarHBondContact O-ND2 3.07Å
784V70.1Confident64.2Low91 Ų91104.4 Ų104.455%0.55264%0.642SS**Hα-helixtrans-59.6-51.7174.1172.40000110.5A780 A781 S786 N787 M788A780-V784 WeakPolarHBondContact O-CG2 3.43Å; A780-V784 PolarHBondContact O-N 3.39Å; A781-V784 PolarHBondContact O-N 3.25Å; V784-S786 VanDerWaalsContact C-N 3.27Å; V784-S786 PolarHBondContact O-N 3.08Å; V784-N787 PolarHBondContact O-N 3.03Å; V784-N787 VanDerWaalsContact O-N 3.11Å; V784-M788 HydrophobicContact CG1-SD 4.42Å
785A64.1Low61.7Low72 Ų72103.4 Ų103.460%0.59566%0.657SS**Hα-helixtrans-57.7-37.5178.200000112.9A781 N787A781-A785 WeakPolarHBondContact O-CB 3.4Å; A781-A785 PolarHBondContact O-N 3.24Å; A785-N787 VanDerWaalsContact C-N 3.35Å; A785-N787 PolarHBondContact O-N 3.44Å
786S57.3Low59.1Low87 Ų87102.6 Ų102.661%0.60867%0.666SS**Hα-helixtrans-73.5-20.2179.272.70000114.9A782 A783 V784A782-S786 WeakPolarHBondContact O-CB 3.42Å; A782-S786 PolarHBondContact O-N 3.38Å; A782-S786 PolarHBondContact O-OG 2.87Å; A783-S786 PolarHBondContact O-N 2.95Å; A783-S786 PolarHBondContact O-OG 3.24Å; V784-S786 VanDerWaalsContact C-N 3.27Å; V784-S786 PolarHBondContact O-N 3.08Å
787N53.7Low56.8Low137 Ų137102.5 Ų102.573%0.73368%0.679SS**Hα-helixtrans-89-14.5-179.2-81.4-37.8000113.9A783 V784 A785 G789A783-N787 PolarHBondContact O-N 3.3Å; A783-N787 PolarHBondContact O-ND2 3.07Å; V784-N787 PolarHBondContact O-N 3.03Å; V784-N787 VanDerWaalsContact O-N 3.11Å; A785-N787 VanDerWaalsContact C-N 3.35Å; A785-N787 PolarHBondContact O-N 3.44Å; N787-G789 VanDerWaalsContact C-N 3.31Å; N787-G789 PolarHBondContact O-N 3.47Å
788M50.1Low54.4Low164 Ų164100.3 Ų100.381%0.80868%0.684SS**SBendtrans-89.117.8-176.5-63.7-173.575.800114.3V784V784-M788 HydrophobicContact CG1-SD 4.42Å
789G37.7Very low52.2Low61 Ų61100.8 Ų100.863%0.62969%0.693SS**  trans-118.622.2-159.800000118.8N787N787-G789 VanDerWaalsContact C-N 3.31Å; N787-G789 PolarHBondContact O-N 3.47Å
790I38.6Very low50.3Low159 Ų159103.4 Ų103.482%0.81571%0.709SS**  trans-145.495.7178.8-45.5175.4000113.2
791D40.8Very low48.2Very low171 Ų171105.4 Ų105.491%0.91472%0.719SS**  trans-174.5153.9136.7-107.4-29.1000112.3
792G37.9Very low46.7Very low81 Ų81109.1 Ų109.184%0.83574%0.736SS**  trans104144.6170.500000117.1
793G34.5Very low45.1Very low75 Ų75111.8 Ų111.877%0.77375%0.751SS**  trans174176.2174.900000115.3
794L38.9Very low43.4Very low182 Ų182114.7 Ų114.795%0.95377%0.774SS**  trans76.499.2178.1-58.6171.9000118.6
795A38.1Very low42.3Very low105 Ų105113.6 Ų113.687%0.86878%0.782SS**  trans175.6164.5130.400000110.4
796S37.1Very low41.6Very low116 Ų116116.8 Ų116.881%0.81179%0.785SS**  trans-136.7143.6-163.8-45.70000114.7
797S39.8Very low41Very low117 Ų117120.7 Ų120.782%0.81879%0.793SS**  162.5142.3127-72.20000114.5
798A37.9Very low40.8Very low90 Ų90122.3 Ų122.374%0.74480%0.796SS**  trans36.7144.614400000122.7
799T38.8Very low41Very low125 Ų125121.6 Ų121.677%0.76779%0.791SS**  cis-170.8146.9-3.518.20000110.9
800S40Very low41.7Very low115 Ų115124.9 Ų124.980%0.80479%0.79SS**  trans57151.9155.550.70000120.4
801S36.2Very low42.2Very low96 Ų96123.4 Ų123.467%0.67178%0.783SS**  cis-170.7174.8-15.253.20000110.7
802T44.5Very low43Very low139 Ų139117.8 Ų117.885%0.85376%0.76SS**  trans72148.5173690000116.5
803S40.4Very low44.2Very low118 Ų118117.3 Ų117.383%0.82574%0.744SS**  cis-147.3169.8-6.9520000110.3
804A34.1Very low45.4Very low107 Ų107118 Ų11888%0.88473%0.733SS**  trans-90.3142.9-177.300000113.4
805G47.5Very low46.4Very low69 Ų69114.1 Ų114.171%0.71171%0.713SS**  trans-177.7-32.2172.600000117.6
806Q49.3Very low47.5Very low139 Ų139114.1 Ų114.165%0.6570%0.695SS**THydrogen-bonded Turntrans-82-22.1-164.8-74.3176.5-48.100117.2Q808 Q809Q806-Q808 PolarHBondContact O-N 3.5Å; Q806-Q808 VanDerWaalsContact O-N 3.08Å; Q806-Q809 PolarHBondContact O-N 3.04Å
807Q45.4Very low48.4Very low168 Ų168113.6 Ų113.679%0.78568%0.682SS**Hα-helixtrans-63.6-20.4-171.6-90.6-172.7-33.700114.8
808Q48.9Very low49.1Very low172 Ų172113.7 Ų113.780%0.80467%0.67SS**Hα-helixtrans-85.3-16.8-176.9-156.7159.3-7.900113.5Q806Q806-Q808 PolarHBondContact O-N 3.5Å; Q806-Q808 VanDerWaalsContact O-N 3.08Å
809Q54.9Low49.9Very low149 Ų149117.8 Ų117.870%0.69667%0.666SS**Hα-helixtrans-84.2-32.9174-74.5178.4-38.300112.7Q806 L811 A812 S813Q806-Q809 PolarHBondContact O-N 3.04Å; Q809-L811 VanDerWaalsContact C-N 3.29Å; Q809-L811 PolarHBondContact O-N 3.13Å; Q809-A812 PolarHBondContact O-N 3.37Å; Q809-A812 VanDerWaalsContact O-N 3.15Å; Q809-S813 PolarHBondContact O-N 3.16Å
810Q51.3Low50.8Low129 Ų129116.5 Ų116.560%0.60366%0.658SS**Hα-helixtrans-69.5-22.2-179.4-70.4-175.3-22.200113.8S813 V814Q810-S813 PolarHBondContact O-OG 3.13Å; Q810-V814 WeakPolarHBondContact O-CG2 3.33Å
811L49.8Very low51.4Low129 Ų129118.3 Ų118.368%0.67566%0.656SS**Hα-helixtrans-79-24.4171.9-75.7169000113.1Q809Q809-L811 VanDerWaalsContact C-N 3.29Å; Q809-L811 PolarHBondContact O-N 3.13Å
812A58.2Low52.4Low53 Ų53120 Ų12044%0.43866%0.658SS.*Hα-helixtrans-73.6-47.3175.900000111.3Q809 V814 L815 E816Q809-A812 PolarHBondContact O-N 3.37Å; Q809-A812 VanDerWaalsContact O-N 3.15Å; A812-V814 VanDerWaalsContact C-N 3.3Å; A812-V814 PolarHBondContact O-N 3.34Å; A812-L815 PolarHBondContact O-N 2.98Å; A812-L815 VanDerWaalsContact O-N 3.15Å; A812-E816 PolarHBondContact O-N 2.99Å
813S61.7Low52.1Low70 Ų70116.8 Ų116.849%0.4965%0.652SS.*Hα-helixtrans-64-31.4-178.355.50000113.8Q809 Q810 E816 L817Q809-S813 PolarHBondContact O-N 3.16Å; Q810-S813 PolarHBondContact O-OG 3.13Å; S813-E816 PolarHBondContact O-N 3.42Å; S813-L817 WeakPolarHBondContact O-CB 3.34Å; S813-L817 PolarHBondContact O-N 3.26Å; S813-L817 VanDerWaalsContact O-N 3.08Å
814V60.6Low51.9Low91 Ų91114.4 Ų114.455%0.55265%0.646SS**Hα-helixtrans-67.3-39.3174.6172.50000111.7Q810 A812 L817 E818Q810-V814 WeakPolarHBondContact O-CG2 3.33Å; A812-V814 VanDerWaalsContact C-N 3.3Å; A812-V814 PolarHBondContact O-N 3.34Å; V814-L817 PolarHBondContact O-N 3.47Å; V814-E818 PolarHBondContact O-N 3.26Å; V814-E818 VanDerWaalsContact O-N 3.11Å
815L59.5Low52.4Low99 Ų99121.6 Ų121.652%0.51865%0.65SS.*Hα-helixtrans-72.7-31.6176.4-71.1168.7000112.6A812 E818 R819A812-L815 PolarHBondContact O-N 2.98Å; A812-L815 VanDerWaalsContact O-N 3.15Å; L815-E818 PolarHBondContact O-N 3.33Å; L815-R819 PolarHBondContact O-N 3.29Å
816E62.4Low51.7Low105 Ų105122.3 Ų122.349%0.49166%0.658SS.*Hα-helixtrans-67-37.3172.6-136.971.3-98.900111.9A812 S813 R819 T820A812-E816 PolarHBondContact O-N 2.99Å; S813-E816 PolarHBondContact O-N 3.42Å; E816-R819 PolarHBondContact O-N 2.93Å; E816-R819 IonicContact OE1-NH1 3.67Å; E816-R819 PolarHBondContact OE1-NH1 3.07Å; E816-R819 VanDerWaalsContact OE1-NH1 3.08Å; E816-T820 PolarHBondContact O-N 3.35Å; E816-T820 VanDerWaalsContact O-N 3.13Å; E816-T820 PolarHBondContact O-OG1 3.29Å
817L55.6Low51.3Low105 Ų105120.6 Ų120.655%0.5567%0.667SS.*Hα-helixtrans-68.7-37.2175.9-164.267.4000112S813 V814 R819 T820 M821S813-L817 WeakPolarHBondContact O-CB 3.34Å; S813-L817 PolarHBondContact O-N 3.26Å; S813-L817 VanDerWaalsContact O-N 3.08Å; V814-L817 PolarHBondContact O-N 3.47Å; L817-R819 VanDerWaalsContact C-N 3.33Å; L817-R819 PolarHBondContact O-N 3.11Å; L817-T820 WeakPolarHBondContact CA-OG1 3.34Å; L817-T820 PolarHBondContact O-N 3.22Å; L817-T820 PolarHBondContact O-OG1 2.84Å; L817-T820 VanDerWaalsContact O-OG1 3.12Å; L817-M821 PolarHBondContact O-N 3.28Å; L817-M821 VanDerWaalsContact O-N 3.14Å
818E54.6Low50.7Low119 Ų119117.7 Ų117.756%0.55667%0.672SS**Hα-helixtrans-69.7-28.2176.8-163.2167.9-138.100112.6V814 L815 N822V814-E818 PolarHBondContact O-N 3.26Å; V814-E818 VanDerWaalsContact O-N 3.11Å; L815-E818 PolarHBondContact O-N 3.33Å; E818-N822 PolarHBondContact O-ND2 3.42Å
819R54.9Low50.4Low176 Ų176116.9 Ų116.966%0.66467%0.672SS**Hα-helixtrans-69.8-47168.1-75-171.5-179.1119.23112.7L815 E816 L817 M821 N822L815-R819 PolarHBondContact O-N 3.29Å; E816-R819 PolarHBondContact O-N 2.93Å; E816-R819 IonicContact OE1-NH1 3.67Å; E816-R819 PolarHBondContact OE1-NH1 3.07Å; E816-R819 VanDerWaalsContact OE1-NH1 3.08Å; L817-R819 VanDerWaalsContact C-N 3.33Å; L817-R819 PolarHBondContact O-N 3.11Å; R819-M821 PolarHBondContact O-N 3.48Å; R819-N822 PolarHBondContact O-N 3.01Å
820T57.3Low49.5Very low99 Ų99115.5 Ų115.561%0.60768%0.676SS**Hα-helixtrans-69.7-31.6-172.443.10000113.3E816 L817 N822E816-T820 PolarHBondContact O-N 3.35Å; E816-T820 VanDerWaalsContact O-N 3.13Å; E816-T820 PolarHBondContact O-OG1 3.29Å; L817-T820 WeakPolarHBondContact CA-OG1 3.34Å; L817-T820 PolarHBondContact O-N 3.22Å; L817-T820 PolarHBondContact O-OG1 2.84Å; L817-T820 VanDerWaalsContact O-OG1 3.12Å; T820-N822 VanDerWaalsContact C-N 3.32Å; T820-N822 PolarHBondContact O-N 3.49Å
821M53.1Low48.8Very low152 Ų152118.2 Ų118.275%0.74969%0.688SS**THydrogen-bonded Turntrans-74.3-14.9175.1-67.4-158.6-5800115.1L817 R819L817-M821 PolarHBondContact O-N 3.28Å; L817-M821 VanDerWaalsContact O-N 3.14Å; R819-M821 PolarHBondContact O-N 3.48Å
822N55.9Low48.1Very low133 Ų133119.1 Ų119.171%0.71170%0.699SS**THydrogen-bonded Turntrans-95-8.2-178.6-80.3-66.9000114.2E818 R819 T820 G824E818-N822 PolarHBondContact O-ND2 3.42Å; R819-N822 PolarHBondContact O-N 3.01Å; T820-N822 VanDerWaalsContact C-N 3.32Å; T820-N822 PolarHBondContact O-N 3.49Å; N822-G824 PolarHBondContact O-N 2.97Å
823G38.2Very low47.3Very low71 Ų71120.8 Ų120.873%0.73271%0.712SS**  trans-90.172.7-177.100000114.2
824G37.5Very low46.7Very low67 Ų67121.6 Ų121.669%0.69172%0.723SS**  trans-177.843.9-177.100000122N822N822-G824 PolarHBondContact O-N 2.97Å
825R43.4Very low46.7Very low258 Ų258123.4 Ų123.497%0.97474%0.737SS**  trans-169.8119.4153.1-109156.4-165.6-119.31112.6
826G33.3Very low47Very low85 Ų85127.5 Ų127.588%0.87675%0.751SS**  trans-99125.517500000112.8
827A40.6Very low48Very low103 Ų103127 Ų12785%0.85175%0.752SS**  trans-157.7135.5160.300000108.2
828A33.4Very low49.1Very low107 Ų107126.7 Ų126.788%0.88476%0.756SS**  trans-91.3125.2-167.700000113.5
829I41.7Very low50.1Low155 Ų155123.3 Ų123.380%0.79575%0.748SS**  trans-141133.1164-59.5-177.2000107
830P36.7Very low51.4Low120 Ų120120.2 Ų120.278%0.77974%0.744SS**  trans-73.7134.9-172.528.7-35.3000112.9
831Q37.1Very low52.3Low186 Ų186119.8 Ų119.887%0.86974%0.737SS**  trans-89.3120.4169.5-72.8-170.1-6.600111.1
832V35.3Very low53.8Low148 Ų148116 Ų11690%0.89773%0.726SS**  trans-109.599.1159.8178.50000107.2
833A40.6Very low55.3Low87 Ų87115 Ų11572%0.71972%0.721SS**  trans-149.3101.4177.100000110.1
834A48.6Very low57.5Low88 Ų88117.3 Ų117.373%0.72772%0.716SS**PPolyproline II helixtrans-72.1147.1168.300000110
835P60.3Low59.9Low129 Ų129119.1 Ų119.184%0.83871%0.709SS**PPolyproline II helixtrans-67140.9176.728.4-34.4000111.1
836F67.1Low62Low185 Ų185112.1 Ų112.181%0.81169%0.687SS**PPolyproline II helixtrans-69.5132.6173.3-80.3-92.6000110.9P838 I841F836-P838 WeakPolarHBondContact O-CD 3.37Å; F836-I841 HydrophobicContact CB-CD1 4.48Å
837D82.7Confident64.5Low94 Ų94110.9 Ų110.950%0.50367%0.668SS.*PPolyproline II helixtrans-67.8120.1175.9178.72.5000111.1A839 L840 I841D837-A839 PolarHBondContact O-N 3.49Å; D837-A839 VanDerWaalsContact OD1-CB 3.29Å; D837-A839 WeakPolarHBondContact OD1-CB 3.4Å; D837-A839 PolarHBondContact OD1-N 3.43Å; D837-L840 HydrophobicContact CB-CB 4.4Å; D837-L840 PolarHBondContact O-N 3.47Å; D837-L840 VanDerWaalsContact O-N 3.16Å; D837-I841 PolarHBondContact O-N 3.16Å
838P78.9Confident66.8Low99 Ų99112 Ų11264%0.64366%0.656SS**Hα-helixtrans-63-23.117726.8-35.4000113.5F836 L840 I841 S842F836-P838 WeakPolarHBondContact O-CD 3.37Å; P838-L840 VanDerWaalsContact C-N 3.34Å; P838-I841 PolarHBondContact O-N 3.42Å; P838-S842 WeakPolarHBondContact O-CB 3.46Å; P838-S842 PolarHBondContact O-N 3.43Å
839A75.8Confident69.5Low48 Ų48115.5 Ų115.540%0.39765%0.646SS.*Hα-helixtrans-66-37.6174.700000111.8D837 S842 N843D837-A839 PolarHBondContact O-N 3.49Å; D837-A839 VanDerWaalsContact OD1-CB 3.29Å; D837-A839 WeakPolarHBondContact OD1-CB 3.4Å; D837-A839 PolarHBondContact OD1-N 3.43Å; A839-S842 WeakPolarHBondContact O-CB 3.33Å; A839-S842 PolarHBondContact O-N 3.29Å; A839-N843 WeakPolarHBondContact O-CB 3.41Å; A839-N843 VanDerWaalsContact O-CG 3.26Å; A839-N843 PolarHBondContact O-N 3.28Å; A839-N843 PolarHBondContact O-ND2 2.94Å
840L81.3Confident71.8Confident111 Ų111112 Ų11258%0.58163%0.628SS**Hα-helixtrans-66.3-42.2177.1-156.1162.8000110.7D837 P838 N843 L844D837-L840 HydrophobicContact CB-CB 4.4Å; D837-L840 PolarHBondContact O-N 3.47Å; D837-L840 VanDerWaalsContact O-N 3.16Å; P838-L840 VanDerWaalsContact C-N 3.34Å; L840-N843 PolarHBondContact O-N 2.67Å; L840-L844 PolarHBondContact O-N 3.17Å
841I76.5Confident74.4Confident89 Ų89110.9 Ų110.946%0.45662%0.615SS.*Hα-helixtrans-62.6-44.1174.3-59175.4000111F836 D837 P838 N843 L844 L845F836-I841 HydrophobicContact CB-CD1 4.48Å; D837-I841 PolarHBondContact O-N 3.16Å; P838-I841 PolarHBondContact O-N 3.42Å; I841-N843 PolarHBondContact O-N 2.8Å; I841-L844 PolarHBondContact O-N 3.48Å; I841-L845 HydrophobicContact CG2-CD1 4.09Å; I841-L845 WeakPolarHBondContact O-CG 3.34Å; I841-L845 PolarHBondContact O-N 2.92Å
842S84.2Confident76.8Confident73 Ų73107 Ų10751%0.5160%0.599SS.*Hα-helixtrans-59.4-45.8176.8-170.80000112P838 A839 L844 L845 H846P838-S842 WeakPolarHBondContact O-CB 3.46Å; P838-S842 PolarHBondContact O-N 3.43Å; A839-S842 WeakPolarHBondContact O-CB 3.33Å; A839-S842 PolarHBondContact O-N 3.29Å; S842-L844 PolarHBondContact O-N 3.27Å; S842-L845 PolarHBondContact O-N 3.49Å; S842-H846 PolarHBondContact O-N 3.38Å
843N87.6Confident79.6Confident112 Ų112104.6 Ų104.660%0.59958%0.578SS**Hα-helixtrans-64-39.1177.5-71.8-24.9000112.3A839 L840 I841 H846 A847A839-N843 WeakPolarHBondContact O-CB 3.41Å; A839-N843 VanDerWaalsContact O-CG 3.26Å; A839-N843 PolarHBondContact O-N 3.28Å; A839-N843 PolarHBondContact O-ND2 2.94Å; L840-N843 PolarHBondContact O-N 2.67Å; I841-N843 PolarHBondContact O-N 2.8Å; N843-H846 PolarHBondContact O-N 3.01Å; N843-A847 PolarHBondContact O-N 2.87Å
844L84.2Confident82Confident120 Ų120104.5 Ų104.563%0.62857%0.565SS**Hα-helixtrans-62.3-46.1176.1-139.482.5000111.7L840 I841 S842 H846 A847 E848L840-L844 PolarHBondContact O-N 3.17Å; I841-L844 PolarHBondContact O-N 3.48Å; S842-L844 PolarHBondContact O-N 3.27Å; L844-H846 VanDerWaalsContact C-N 3.29Å; L844-H846 PolarHBondContact O-N 2.89Å; L844-A847 PolarHBondContact O-N 2.64Å; L844-E848 PolarHBondContact O-N 3.21Å
845L87.9Confident84Confident104 Ų104107.9 Ų107.955%0.54556%0.559SS.*Hα-helixtrans-66.8-29.4177.3-69.1170.2000112.6I841 S842 R849I841-L845 HydrophobicContact CG2-CD1 4.09Å; I841-L845 WeakPolarHBondContact O-CG 3.34Å; I841-L845 PolarHBondContact O-N 2.92Å; S842-L845 PolarHBondContact O-N 3.49Å; L845-R849 WeakPolarHBondContact O-CB 3.49Å; L845-R849 PolarHBondContact O-N 3.02Å; L845-R849 VanDerWaalsContact O-N 3.16Å
846H88.1Confident85.4Confident112 Ų112106.4 Ų106.452%0.51954%0.544SS..Hα-helixtrans-71.2-42.6173.7-161.589.6000111.6S842 N843 L844 R849 I850S842-H846 PolarHBondContact O-N 3.38Å; N843-H846 PolarHBondContact O-N 3.01Å; L844-H846 VanDerWaalsContact C-N 3.29Å; L844-H846 PolarHBondContact O-N 2.89Å; H846-R849 WeakPolarHBondContact O-CB 3.46Å; H846-R849 PolarHBondContact O-N 3.46Å; H846-I850 WeakPolarHBondContact O-CG1 3.43Å; H846-I850 PolarHBondContact O-N 2.86Å; H846-I850 VanDerWaalsContact O-N 3.13Å
847A86.6Confident86.5Confident58 Ų58104.9 Ų104.948%0.47953%0.533SS..Hα-helixtrans-63.1-44.8174.900000112.2N843 L844 R849 I850 D851N843-A847 PolarHBondContact O-N 2.87Å; L844-A847 PolarHBondContact O-N 2.64Å; A847-R849 VanDerWaalsContact C-N 3.29Å; A847-R849 PolarHBondContact O-N 2.96Å; A847-I850 PolarHBondContact O-N 3.2Å; A847-I850 VanDerWaalsContact O-N 3.13Å; A847-D851 PolarHBondContact O-N 3.19Å
848E88.2Confident86.8Confident126 Ų126106 Ų10659%0.58954%0.539SS*.Hα-helixtrans-61.7-36.2176.6-171.4175.7-160.400112L844 M852L844-E848 PolarHBondContact O-N 3.21Å; E848-M852 WeakPolarHBondContact O-CB 3.41Å; E848-M852 WeakPolarHBondContact O-CG 3.41Å; E848-M852 PolarHBondContact O-N 3.24Å
849R90.4Very high87.3Confident182 Ų182106.1 Ų106.169%0.68753%0.533SS*.Hα-helixtrans-63.1-42.7172.9-176.9-178.2-66-161.30.6112.3L845 H846 A847 M852 E853L845-R849 WeakPolarHBondContact O-CB 3.49Å; L845-R849 PolarHBondContact O-N 3.02Å; L845-R849 VanDerWaalsContact O-N 3.16Å; H846-R849 WeakPolarHBondContact O-CB 3.46Å; H846-R849 PolarHBondContact O-N 3.46Å; A847-R849 VanDerWaalsContact C-N 3.29Å; A847-R849 PolarHBondContact O-N 2.96Å; R849-M852 PolarHBondContact O-N 2.89Å; R849-E853 PolarHBondContact O-N 3.48Å
850I90.8Very high87.8Confident82 Ų82106.9 Ų106.942%0.42154%0.54SS..Hα-helixtrans-67-43.6-179.5-69.2169.4000111.1H846 A847 M852 E853 N854H846-I850 WeakPolarHBondContact O-CG1 3.43Å; H846-I850 PolarHBondContact O-N 2.86Å; H846-I850 VanDerWaalsContact O-N 3.13Å; A847-I850 PolarHBondContact O-N 3.2Å; A847-I850 VanDerWaalsContact O-N 3.13Å; I850-M852 PolarHBondContact O-N 3.39Å; I850-E853 PolarHBondContact O-N 2.66Å; I850-N854 PolarHBondContact O-N 2.86Å; I850-N854 PolarHBondContact O-ND2 3.35Å
851D91.4Very high88.1Confident95 Ų95106.1 Ų106.151%0.50854%0.539SS..Hα-helixtrans-60.9-45.9175.1-175.965.8000111.5A847 E853 N854 R855A847-D851 PolarHBondContact O-N 3.19Å; D851-E853 VanDerWaalsContact C-N 3.3Å; D851-E853 PolarHBondContact O-N 2.89Å; D851-N854 PolarHBondContact O-N 3.33Å; D851-R855 VanDerWaalsContact O-CB 3.29Å; D851-R855 WeakPolarHBondContact O-CB 3.36Å; D851-R855 PolarHBondContact O-N 2.92Å
852M87.3Confident88.7Confident104 Ų104109.8 Ų109.851%0.51255%0.547SS..Hα-helixtrans-60.2-36.5176-79.3-72.7-76.600112.8E848 R849 I850 N856E848-M852 WeakPolarHBondContact O-CB 3.41Å; E848-M852 WeakPolarHBondContact O-CG 3.41Å; E848-M852 PolarHBondContact O-N 3.24Å; R849-M852 PolarHBondContact O-N 2.89Å; I850-M852 PolarHBondContact O-N 3.39Å; M852-N856 WeakPolarHBondContact O-CB 3.2Å; M852-N856 PolarHBondContact O-N 3.34Å; M852-N856 VanDerWaalsContact O-N 3.14Å; M852-N856 PolarHBondContact O-ND2 3.38Å
853E92.5Very high88.8Confident98 Ų98107.7 Ų107.746%0.45854%0.538SS..Hα-helixtrans-70.6-45.8174.6-161-176.1141.500112R849 I850 D851 R855 N856 R857R849-E853 PolarHBondContact O-N 3.48Å; I850-E853 PolarHBondContact O-N 2.66Å; D851-E853 VanDerWaalsContact C-N 3.3Å; D851-E853 PolarHBondContact O-N 2.89Å; E853-R855 VanDerWaalsContact C-N 3.32Å; E853-R855 PolarHBondContact O-N 3.09Å; E853-N856 PolarHBondContact O-N 2.96Å; E853-N856 VanDerWaalsContact O-N 3.13Å; E853-R857 WeakPolarHBondContact O-CG 3.47Å; E853-R857 PolarHBondContact O-N 2.94Å; E853-R857 IonicContact OE1-CZ 3.1Å; E853-R857 IonicContact OE1-NE 2.62Å; E853-R857 PolarHBondContact OE1-NE 3.28Å; E853-R857 IonicContact OE1-NH2 2.67Å; E853-R857 PolarHBondContact OE1-NH2 3.34Å
854N91.5Very high88.5Confident85 Ų85105.4 Ų105.446%0.45553%0.534SS..Hα-helixtrans-59-42.5177.2-74.6-27.2000112I850 D851 N856 R857 L858I850-N854 PolarHBondContact O-N 2.86Å; I850-N854 PolarHBondContact O-ND2 3.35Å; D851-N854 PolarHBondContact O-N 3.33Å; N854-N856 PolarHBondContact O-N 3.29Å; N854-R857 PolarHBondContact O-N 3.39Å; N854-L858 WeakPolarHBondContact O-CB 3.37Å; N854-L858 PolarHBondContact O-N 2.93Å
855R90.9Very high88.3Confident160 Ų160104.9 Ų104.960%0.60453%0.532SS*.Hα-helixtrans-62.7-39.9175.3-169.2174.8-172.3134.42.4112.3D851 E853 L858 L859D851-R855 VanDerWaalsContact O-CB 3.29Å; D851-R855 WeakPolarHBondContact O-CB 3.36Å; D851-R855 PolarHBondContact O-N 2.92Å; E853-R855 VanDerWaalsContact C-N 3.32Å; E853-R855 PolarHBondContact O-N 3.09Å; R855-L858 PolarHBondContact O-N 3.08Å; R855-L859 WeakPolarHBondContact O-CG 3.4Å; R855-L859 PolarHBondContact O-N 3.38Å
856N90.1Very high87.9Confident98 Ų98105.2 Ų105.252%0.52453%0.53SS..Hα-helixtrans-67.8-39.5174.4-82.3-64000112.4M852 E853 N854 L859 A860M852-N856 WeakPolarHBondContact O-CB 3.2Å; M852-N856 PolarHBondContact O-N 3.34Å; M852-N856 VanDerWaalsContact O-N 3.14Å; M852-N856 PolarHBondContact O-ND2 3.38Å; E853-N856 PolarHBondContact O-N 2.96Å; E853-N856 VanDerWaalsContact O-N 3.13Å; N854-N856 PolarHBondContact O-N 3.29Å; N856-L859 PolarHBondContact O-N 3.11Å; N856-A860 WeakPolarHBondContact O-CB 3.37Å; N856-A860 PolarHBondContact O-N 3.46Å
857R89.5Confident87.3Confident153 Ų153105 Ų10558%0.57753%0.533SS*.Hα-helixtrans-61-44.2173.7-69.5173.5179.4-145.34.9111.3E853 N854 A860 T861E853-R857 WeakPolarHBondContact O-CG 3.47Å; E853-R857 PolarHBondContact O-N 2.94Å; E853-R857 IonicContact OE1-CZ 3.1Å; E853-R857 IonicContact OE1-NE 2.62Å; E853-R857 PolarHBondContact OE1-NE 3.28Å; E853-R857 IonicContact OE1-NH2 2.67Å; E853-R857 PolarHBondContact OE1-NH2 3.34Å; N854-R857 PolarHBondContact O-N 3.39Å; R857-A860 PolarHBondContact O-N 3.14Å; R857-T861 PolarHBondContact O-N 3.12Å; R857-T861 PolarHBondContact O-OG1 3.34Å
858L89.5Confident86.6Confident118 Ų118105.1 Ų105.162%0.61853%0.534SS*.Hα-helixtrans-69-33.3178.8-170.6146.2000113.2N854 R855 T861 R862N854-L858 WeakPolarHBondContact O-CB 3.37Å; N854-L858 PolarHBondContact O-N 2.93Å; R855-L858 PolarHBondContact O-N 3.08Å; L858-T861 PolarHBondContact O-OG1 3.25Å; L858-T861 VanDerWaalsContact O-OG1 3.09Å; L858-R862 WeakPolarHBondContact O-CB 3.39Å; L858-R862 PolarHBondContact O-N 2.83Å; L858-R862 VanDerWaalsContact O-N 3.1Å
859L89Confident85.8Confident100 Ų100105.1 Ų105.152%0.52454%0.536SS..Hα-helixtrans-69.3-36.4170.8-72.9170.4000112.1R855 N856 G863R855-L859 WeakPolarHBondContact O-CG 3.4Å; R855-L859 PolarHBondContact O-N 3.38Å; N856-L859 PolarHBondContact O-N 3.11Å; L859-G863 PolarHBondContact O-N 3.47Å
860A86.7Confident84.7Confident65 Ų65101.5 Ų101.554%0.53753%0.534SS..Hα-helixtrans-67.4-42.5176.300000112.5N856 R857 G863 A864N856-A860 WeakPolarHBondContact O-CB 3.37Å; N856-A860 PolarHBondContact O-N 3.46Å; R857-A860 PolarHBondContact O-N 3.14Å; A860-G863 PolarHBondContact O-N 2.98Å; A860-A864 PolarHBondContact O-N 3.46Å
861T87.9Confident83.2Confident94 Ų94104.7 Ų104.758%0.57755%0.55SS**Hα-helixtrans-67-38.3175.154.60000112.1R857 L858 G863 A864 L865R857-T861 PolarHBondContact O-N 3.12Å; R857-T861 PolarHBondContact O-OG1 3.34Å; L858-T861 PolarHBondContact O-OG1 3.25Å; L858-T861 VanDerWaalsContact O-OG1 3.09Å; T861-G863 VanDerWaalsContact C-N 3.34Å; T861-G863 PolarHBondContact O-N 3.13Å; T861-A864 PolarHBondContact O-N 3.03Å; T861-L865 WeakPolarHBondContact O-CB 3.32Å; T861-L865 PolarHBondContact O-N 3.33Å
862R88Confident81.1Confident166 Ų166102.7 Ų102.763%0.62655%0.552SS**Hα-helixtrans-61.8-40.3172.2-176.3173.2178.41542.3112.2L858 L865 Q866L858-R862 WeakPolarHBondContact O-CB 3.39Å; L858-R862 PolarHBondContact O-N 2.83Å; L858-R862 VanDerWaalsContact O-N 3.1Å; R862-L865 PolarHBondContact O-N 3.48Å; R862-Q866 WeakPolarHBondContact O-CB 3.4Å; R862-Q866 PolarHBondContact O-N 3.41Å
863G85.9Confident78.6Confident30 Ų30101 Ų10131%0.30956%0.562SS.*Hα-helixtrans-60.1-51173.700000112.1L859 A860 T861 L865 Q866 D867L859-G863 PolarHBondContact O-N 3.47Å; A860-G863 PolarHBondContact O-N 2.98Å; T861-G863 VanDerWaalsContact C-N 3.34Å; T861-G863 PolarHBondContact O-N 3.13Å; G863-L865 VanDerWaalsContact C-N 3.32Å; G863-L865 PolarHBondContact O-N 3.42Å; G863-Q866 PolarHBondContact O-N 2.88Å; G863-Q866 VanDerWaalsContact O-N 3.08Å; G863-D867 PolarHBondContact O-N 2.91Å
864A83Confident76Confident63 Ų63100.7 Ų100.752%0.52158%0.576SS.*Hα-helixtrans-60.7-38.5177.900000113.1A860 T861 Q866 A868A860-A864 PolarHBondContact O-N 3.46Å; T861-A864 PolarHBondContact O-N 3.03Å; A864-Q866 VanDerWaalsContact C-N 3.35Å; A864-A868 WeakPolarHBondContact O-CB 3.47Å; A864-A868 PolarHBondContact O-N 3.07Å
865L79.3Confident73.8Confident110 Ų110102.3 Ų102.358%0.57659%0.589SS**Hα-helixtrans-64.2-40173.9-166.480.8000111.6T861 R862 G863 A868 M869T861-L865 WeakPolarHBondContact O-CB 3.32Å; T861-L865 PolarHBondContact O-N 3.33Å; R862-L865 PolarHBondContact O-N 3.48Å; G863-L865 VanDerWaalsContact C-N 3.32Å; G863-L865 PolarHBondContact O-N 3.42Å; L865-A868 PolarHBondContact O-N 2.75Å; L865-M869 HydrophobicContact CD2-CE 4.19Å; L865-M869 HydrophobicContact CG-CE 4.13Å; L865-M869 WeakPolarHBondContact O-CG 3.41Å; L865-M869 PolarHBondContact O-N 3.25Å
866Q79.4Confident71.3Confident110 Ų110103 Ų10351%0.51461%0.605SS.*Hα-helixtrans-73.3-37.4-179.2-168.7164.6-2.500112.4R862 G863 A864 M869 T870R862-Q866 WeakPolarHBondContact O-CB 3.4Å; R862-Q866 PolarHBondContact O-N 3.41Å; G863-Q866 PolarHBondContact O-N 2.88Å; G863-Q866 VanDerWaalsContact O-N 3.08Å; A864-Q866 VanDerWaalsContact C-N 3.35Å; Q866-M869 PolarHBondContact O-N 3.22Å; Q866-T870 WeakPolarHBondContact O-CB 3.46Å; Q866-T870 PolarHBondContact O-N 3.25Å; Q866-T870 PolarHBondContact O-OG1 3Å
867D76.4Confident68.9Low107 Ų107103.4 Ų103.457%0.57261%0.611SS**Hα-helixtrans-63.2-43.8170-75.7-24000110.5G863 M869 T870 I871G863-D867 PolarHBondContact O-N 2.91Å; D867-M869 PolarHBondContact O-N 3.32Å; D867-T870 PolarHBondContact O-N 3.42Å; D867-T870 VanDerWaalsContact O-N 3.14Å; D867-I871 WeakPolarHBondContact O-CG1 3.31Å; D867-I871 PolarHBondContact O-N 3.27Å
868A70.5Confident66.3Low62 Ų62106.3 Ų106.351%0.51263%0.628SS.*Hα-helixtrans-60.9-43.4176.600000112.9A864 L865 T870 I871 G872A864-A868 WeakPolarHBondContact O-CB 3.47Å; A864-A868 PolarHBondContact O-N 3.07Å; L865-A868 PolarHBondContact O-N 2.75Å; A868-T870 VanDerWaalsContact C-N 3.32Å; A868-T870 PolarHBondContact O-N 3.16Å; A868-I871 PolarHBondContact O-N 3.39Å; A868-G872 PolarHBondContact O-N 3.45Å; A868-G872 VanDerWaalsContact O-N 3.07Å
869M70.9Confident63.9Low126 Ų126112.4 Ų112.462%0.62164%0.643SS**Hα-helixtrans-66.4-31.9174.3-72.2-175.2-65.400112.8L865 Q866 D867L865-M869 HydrophobicContact CD2-CE 4.19Å; L865-M869 HydrophobicContact CG-CE 4.13Å; L865-M869 WeakPolarHBondContact O-CG 3.41Å; L865-M869 PolarHBondContact O-N 3.25Å; Q866-M869 PolarHBondContact O-N 3.22Å; D867-M869 PolarHBondContact O-N 3.32Å
870T67.4Low61.4Low105 Ų105116.1 Ų116.164%0.64466%0.662SS**Hα-helixtrans-76.5-32.2179.1-54.10000111.8Q866 D867 A868Q866-T870 WeakPolarHBondContact O-CB 3.46Å; Q866-T870 PolarHBondContact O-N 3.25Å; Q866-T870 PolarHBondContact O-OG1 3Å; D867-T870 PolarHBondContact O-N 3.42Å; D867-T870 VanDerWaalsContact O-N 3.14Å; A868-T870 VanDerWaalsContact C-N 3.32Å; A868-T870 PolarHBondContact O-N 3.16Å
871I60.8Low59Low149 Ų149117.4 Ų117.476%0.76467%0.673SS**Hα-helixtrans-78.1-27176.4-67.2166.4000111.4D867 A868 G873D867-I871 WeakPolarHBondContact O-CG1 3.31Å; D867-I871 PolarHBondContact O-N 3.27Å; A868-I871 PolarHBondContact O-N 3.39Å; I871-G873 PolarHBondContact O-N 2.95Å
872G46.9Very low56.6Low53 Ų53121.1 Ų121.155%0.54669%0.686SS.*THydrogen-bonded Turntrans-76.79.5176.200000116.3A868 A874A868-G872 PolarHBondContact O-N 3.45Å; A868-G872 VanDerWaalsContact O-N 3.07Å; G872-A874 VanDerWaalsContact C-N 3.28Å; G872-A874 PolarHBondContact O-N 3.43Å
873G34.7Very low54.6Low70 Ų70122 Ų12272%0.72270%0.702SS**  trans-75.553.6-17000000116.5I871I871-G873 PolarHBondContact O-N 2.95Å
874A38.1Very low52.4Low90 Ų90123.5 Ų123.574%0.74472%0.718SS**  trans-156.757.7179.600000115.9G872G872-A874 VanDerWaalsContact C-N 3.28Å; G872-A874 PolarHBondContact O-N 3.43Å
875T45.1Very low50.3Low120 Ų120124.7 Ų124.774%0.73674%0.735SS**  trans-157.390164.715.90000113.4T877T875-T877 PolarHBondContact O-N 3.5Å; T875-T877 VanDerWaalsContact O-N 3.09Å
876D38Very low48.5Very low175 Ų175123.3 Ų123.394%0.93675%0.748SS**  trans-83.454.5171.2-108.3-38.7000112.3
877T39.4Very low46.5Very low106 Ų106121.6 Ų121.665%0.6576%0.76SS**  trans-157.684.9176.637.30000112.2T875T875-T877 PolarHBondContact O-N 3.5Å; T875-T877 VanDerWaalsContact O-N 3.09Å
878F36.4Very low45Very low214 Ų214123.7 Ų123.794%0.93978%0.776SS**  trans-174.960.8150.2-102.6-61.7000112.9
879R37.9Very low43.7Very low246 Ų246127.1 Ų127.193%0.92879%0.79SS**  trans-13064.5170.6-90.7-168.9168.1-165.2-1.9112.3
880L35.8Very low42.5Very low178 Ų178126.1 Ų126.193%0.93279%0.793SS**SBendtrans-168.192.2157.4-135.480000111.7
881A38Very low41.4Very low92 Ų92127.6 Ų127.676%0.7680%0.802SS**  trans-180164.415900000111.3
882M37.6Very low40.7Very low171 Ų171126 Ų12684%0.84280%0.802SS**  trans62.674.1164.8-50.5-53.2-75.400117.4
883L45Very low40.5Very low185 Ų185130.6 Ų130.697%0.96982%0.819SS**  trans-111130150.7-149.184.5000108.3
884G40Very low40.6Very low62 Ų62130.8 Ų130.864%0.63982%0.822SS**  trans80.1138.5-165.700000112.3
885G39.6Very low40.6Very low87 Ų87132 Ų13290%0.89782%0.815SS**  cis116.4123.35.300000111.1
886G40.3Very low40.4Very low82 Ų82132.4 Ų132.485%0.84582%0.817SS**  cis175164.3-8.700000112.2
887G37.9Very low40.2Very low73 Ų73131.9 Ų131.975%0.75381%0.809SS**  trans104.2151.4165.800000117.9
888V44.5Very low40.6Very low151 Ų151131.6 Ų131.692%0.91581%0.809SS**  trans75.1153.8170-162.70000116.2
889V42.8Very low40.7Very low134 Ų134131.5 Ų131.581%0.81281%0.809SS**  trans-151.1157.7-138.9144.50000109.6
890P47.2Very low40.7Very low106 Ų106123 Ų12369%0.68880%0.798SS**  -106.4-171.9-123.638.8-34.4000116.1
891T42.8Very low40.9Very low136 Ų136125 Ų12583%0.83479%0.794SS**  -179.4166.496.830.60000113.4
892P46.9Very low41.1Very low115 Ų115126.2 Ų126.275%0.74779%0.792SS**  trans-128.7173.6-161.544.1-30.9000117.6
893T41.8Very low41Very low149 Ų149127.1 Ų127.191%0.91479%0.791SS**  trans-162.7123.4159.411.40000116.4
894G38.2Very low40.6Very low75 Ų75121.2 Ų121.277%0.77378%0.775SS**  trans62.8172.1145.200000122.5
895L38Very low40.4Very low114 Ų114127.1 Ų127.160%0.59779%0.786SS**  cis-173.4166.6-30.5-136.7156.7000110.3S671S671-L895 VanDerWaalsContact OG-CD2 3.31Å; S671-L895 WeakPolarHBondContact OG-CD2 3.44Å
896T40.5Very low40.1Very low129 Ų129127.1 Ų127.179%0.79178%0.778SS**  trans99.9148.1162.768.80000120.7
897E33.9Very low39.8Very low164 Ų164127.7 Ų127.777%0.76677%0.774SS**  trans-120.9-133.1-163.6-69.4-169.413200114.5
898P47.6Very low39.7Very low101 Ų101131.8 Ų131.866%0.65678%0.778SS**  -130.2-175.7-106.141.1-22.2000115.3
899F38.6Very low39.3Very low211 Ų211130.2 Ų130.293%0.92577%0.769SS**  trans-163119.4154.1-107.3-65.3000117.1
900G36.9Very low38.9Very low69 Ų69130.2 Ų130.271%0.71176%0.764SS**  trans74168.5150.400000120.4
901R40.5Very low38.4Very low220 Ų220132.8 Ų132.883%0.8377%0.767SS**  cis-171.5147.7-15-120.6-177.7-168.2-139.83.9111.7
902T43.1Very low38.2Very low117 Ų117133.5 Ų133.572%0.71877%0.765SS**  trans66.1154.9154.160.40000119.1
903F35.8Very low38Very low189 Ų189134 Ų13483%0.82976%0.76SS**  cis-159.8166.1-2.6-144.7-112.8000113.5
904G35.9Very low37.9Very low61 Ų61135.4 Ų135.463%0.62976%0.757SS**  trans81130.8161.600000117.5
905Q36.1Very low37.9Very low187 Ų187136.6 Ų136.687%0.87475%0.753SS**  cis78140.830-66.7-165.5-37.900116.7
906A33.3Very low38Very low87 Ų87135.1 Ų135.172%0.71976%0.757SS**  cis-172.6169.7-16.100000112.7
907A34.1Very low37.9Very low94 Ų94134.4 Ų134.478%0.77776%0.757SS**  trans67.2142.1165.800000118.7
908L35.1Very low38.2Very low158 Ų158132.9 Ų132.983%0.82776%0.759SS**  cis87.1116.528.6-80.1168.1000116.6
909T35.3Very low37.7Very low118 Ų118131.7 Ų131.772%0.72477%0.765SS**  171.5134.7107.5330000117.1
910N34.9Very low37.6Very low135 Ų135125.6 Ų125.672%0.72276%0.762SS**  trans69.8160.4131.1-59.6-10.2000126.7
911H37.5Very low37.6Very low160 Ų160126.3 Ų126.374%0.74177%0.769SS**  trans76.4151.8167.9-79.8-82.6000119.2
912L38.9Very low37.5Very low151 Ų151120.5 Ų120.579%0.79177%0.768SS**  cis-115.9-163.96.2-152.7103.3000114
913L41.3Very low37.4Very low124 Ų124120.1 Ų120.165%0.64978%0.777SS**  trans-160.7135.8-157178.7157.1000113.7S915L913-S915 VanDerWaalsContact CD2-OG 3.29Å; L913-S915 WeakPolarHBondContact CD2-OG 3.42Å
914Q40.9Very low37.5Very low180 Ų180115.2 Ų115.284%0.84178%0.78SS**  trans-167.1128.1162.6-100.2154.349.400108.2
915S38.8Very low37.8Very low99 Ų99116.2 Ų116.269%0.69279%0.79SS**  cis86.3138.823.4-48.40000114L913L913-S915 VanDerWaalsContact CD2-OG 3.29Å; L913-S915 WeakPolarHBondContact CD2-OG 3.42Å
916A38.3Very low38.1Very low83 Ų83112.2 Ų112.269%0.68679%0.789SS**  cis-151.3155.26.600000111.5
917S38.4Very low38.8Very low114 Ų114114 Ų11480%0.79779%0.793SS**  54.8155.297.782.20000116.8
918V42Very low39.2Very low133 Ų133117.8 Ų117.881%0.80680%0.797SS**  cis-143.4154.218.2-177.30000107.2
919G36.7Very low39.6Very low76 Ų76118.1 Ų118.178%0.78480%0.798SS**  80144.356.600000112.8
920G36.5Very low39.7Very low83 Ų83116.1 Ų116.186%0.85680%0.802SS**  cis167145.4-1000000113.4
921G35.6Very low39.9Very low83 Ų83118.1 Ų118.186%0.85681%0.811SS**  trans82.4165.2170.500000117.6
922A39.9Very low40.1Very low98 Ų98116 Ų11681%0.8182%0.815SS**  cis-165.6159.6-15.700000112.9
923A40.7Very low40.2Very low110 Ų110115.3 Ų115.391%0.90982%0.819SS**  trans69130.3157.100000122.9
924G38.3Very low40.2Very low86 Ų86114.4 Ų114.489%0.88782%0.823SS**  trans124.9119138.900000119.6
925G40.9Very low39.9Very low81 Ų81113.4 Ų113.484%0.83582%0.823SS**  trans107.181.8143.900000120.7
926A43.2Very low39.9Very low104 Ų104115.3 Ų115.386%0.8683%0.83SS**  trans27.9148.5146.800000124.1
927P47Very low39.9Very low125 Ų125116.2 Ų116.281%0.81284%0.837SS**  trans-104.7156.3-171.140.2-34.3000115.9
928M42.5Very low39.8Very low173 Ų173114.4 Ų114.485%0.85284%0.836SS**  trans-152.3155.7156.5-116.2-67.4161.400113.3
929L43.7Very low39.8Very low164 Ų164112.8 Ų112.886%0.85984%0.837SS**  trans-57143.9-166.4-60162.2000116.1
930G37.7Very low40.5Very low77 Ų77114 Ų11479%0.79483%0.832SS**  trans-174.8100.4168.100000113.7
931L39.7Very low41.3Very low177 Ų177120 Ų12093%0.92783%0.834SS**  trans-89.7110.5-177.8-72.3166.9000112.2
932S40.9Very low41.9Very low115 Ų115125.2 Ų125.280%0.80483%0.833SS**  trans-173.2115.6157.1-84.70000112.5
933P42Very low42.5Very low137 Ų137125.8 Ų125.889%0.8983%0.829SS**  trans-96.8117.5168.133.4-27.1000111.3
934S39.6Very low43.4Very low104 Ų104127.3 Ų127.373%0.72782%0.817SS**  trans-138.8106.8173.1-167.30000112.7
935L35.9Very low44.8Very low159 Ų159127.9 Ų127.983%0.83281%0.807SS**  trans66.7159.7155.3-60.1171.3000120.8
936V38.5Very low46.7Very low140 Ų140131.8 Ų131.885%0.84880%0.801SS**  trans86.6140.1161.4-165.70000118.5
937A38.3Very low48.5Very low102 Ų102131 Ų13184%0.84379%0.789SS**  trans68.1118.4169.100000119.2
938G37Very low50.4Low75 Ų75126.8 Ų126.877%0.77376%0.763SS**  trans133.655.2164.600000116.4P940G938-P940 VanDerWaalsContact O-CD 3.24Å; G938-P940 WeakPolarHBondContact O-CD 3.37Å
939A42.1Very low52.5Low100 Ų100122.3 Ų122.383%0.82675%0.745SS**  trans-82.9113.617900000112.6
940P50.8Low54.8Low102 Ų102118.8 Ų118.866%0.66273%0.727SS**  trans-73.4140.8170.331.4-34.2000110.5G938 F942G938-P940 VanDerWaalsContact O-CD 3.24Å; G938-P940 WeakPolarHBondContact O-CD 3.37Å; P940-F942 PolarHBondContact O-N 3.37Å; P940-F942 VanDerWaalsContact O-N 3.16Å
941K52.8Low57.4Low207 Ų207119.5 Ų119.590%0.971%0.71SS**  trans-67113.4175.4-69.2176.6179175.10109.6
942F47.6Very low59.8Low194 Ų194116.8 Ų116.885%0.85169%0.693SS**  trans-59.9129.3174.7-84.1-90.7000110.8P940P940-F942 PolarHBondContact O-N 3.37Å; P940-F942 VanDerWaalsContact O-N 3.16Å
943P54.2Low62.2Low109 Ų109116.4 Ų116.471%0.70868%0.681SS**  trans-71.1133.317229.7-33.2000110.1
944H58.7Low64.7Low143 Ų143111.8 Ų111.866%0.66265%0.654SS**  trans19.3107.3164.5-58.7-78.2000117.7
945S68.3Low67.3Low98 Ų98113 Ų11369%0.68564%0.643SS**  trans-41.5140.7171.9-45.30000112.8S947 S948S945-S947 PolarHBondContact O-N 3.48Å; S945-S948 VanDerWaalsContact O-CB 3.29Å; S945-S948 WeakPolarHBondContact O-CB 3.41Å; S945-S948 PolarHBondContact O-N 2.95Å
946F79.2Confident70Confident162 Ų162111.5 Ų111.571%0.71163%0.631SS**Hα-helixtrans-45.3-32.3-178-176.9-109.7000115.1S948 T949 L950F946-S948 VanDerWaalsContact C-N 3.33Å; F946-S948 PolarHBondContact O-N 3.11Å; F946-T949 PolarHBondContact O-N 2.85Å; F946-L950 HydrophobicContact CD1-CD1 3.85Å; F946-L950 HydrophobicContact CD1-CG 4.34Å; F946-L950 HydrophobicContact CE1-CD1 3.5Å; F946-L950 HydrophobicContact CE1-CG 4.07Å; F946-L950 HydrophobicContact CZ-CD1 4.12Å; F946-L950 HydrophobicContact CZ-CD2 4.44Å; F946-L950 HydrophobicContact CZ-CG 4.28Å; F946-L950 PolarHBondContact O-N 3.42Å
947S83Confident72.7Confident87 Ų87111.7 Ų111.761%0.60862%0.621SS**Hα-helixtrans-57.1-39.5172.4-165.80000113.7S945 L950 E951S945-S947 PolarHBondContact O-N 3.48Å; S947-L950 PolarHBondContact O-N 3.08Å; S947-E951 WeakPolarHBondContact O-CB 3.43Å; S947-E951 PolarHBondContact O-N 3.15Å
948S85.4Confident75.4Confident38 Ų38114.4 Ų114.427%0.26661%0.609SS.*Hα-helixtrans-67.2-41.3178.7-176.60000111.6S945 F946 E951 Q952S945-S948 VanDerWaalsContact O-CB 3.29Å; S945-S948 WeakPolarHBondContact O-CB 3.41Å; S945-S948 PolarHBondContact O-N 2.95Å; F946-S948 VanDerWaalsContact C-N 3.33Å; F946-S948 PolarHBondContact O-N 3.11Å; S948-E951 PolarHBondContact O-N 3.31Å; S948-Q952 WeakPolarHBondContact O-CG 3.42Å; S948-Q952 PolarHBondContact O-N 2.96Å
949T87.6Confident78.1Confident78 Ų78116.4 Ų116.448%0.47960%0.599SS.*Hα-helixtrans-66.1-41.4175.4-42.90000111.6F946 E951 L953F946-T949 PolarHBondContact O-N 2.85Å; T949-E951 VanDerWaalsContact C-N 3.34Å; T949-L953 WeakPolarHBondContact O-CB 3.48Å; T949-L953 PolarHBondContact O-N 2.82Å
950L91.8Very high80.5Confident90 Ų90114.5 Ų114.547%0.47158%0.582SS.*Hα-helixtrans-63.8-37.9172.6-75.3-179.7000112.3F946 S947 L953 A954F946-L950 HydrophobicContact CD1-CD1 3.85Å; F946-L950 HydrophobicContact CD1-CG 4.34Å; F946-L950 HydrophobicContact CE1-CD1 3.5Å; F946-L950 HydrophobicContact CE1-CG 4.07Å; F946-L950 HydrophobicContact CZ-CD1 4.12Å; F946-L950 HydrophobicContact CZ-CD2 4.44Å; F946-L950 HydrophobicContact CZ-CG 4.28Å; F946-L950 PolarHBondContact O-N 3.42Å; S947-L950 PolarHBondContact O-N 3.08Å; L950-L953 PolarHBondContact O-N 3.48Å; L950-A954 WeakPolarHBondContact O-CB 3.48Å; L950-A954 PolarHBondContact O-N 3.03Å
951E91.2Very high82.4Confident92 Ų92114.5 Ų114.543%0.4358%0.575SS.*Hα-helixtrans-71.2-40.7178.1-158.6-170.614600112.1S947 S948 T949 L953 A954 R955S947-E951 WeakPolarHBondContact O-CB 3.43Å; S947-E951 PolarHBondContact O-N 3.15Å; S948-E951 PolarHBondContact O-N 3.31Å; T949-E951 VanDerWaalsContact C-N 3.34Å; E951-L953 VanDerWaalsContact C-N 3.35Å; E951-L953 PolarHBondContact O-N 3.18Å; E951-A954 CarbonylContact O-C 3.6Å; E951-A954 PolarHBondContact O-N 3.08Å; E951-A954 VanDerWaalsContact O-N 3.17Å; E951-R955 WeakPolarHBondContact O-CG 3.45Å; E951-R955 PolarHBondContact O-N 2.75Å; E951-R955 IonicContact OE1-CZ 3.26Å; E951-R955 IonicContact OE1-NE 2.99Å; E951-R955 PolarHBondContact OE1-NE 3.19Å; E951-R955 IonicContact OE1-NH2 3.09Å; E951-R955 PolarHBondContact OE1-NH2 2.95Å
952Q91.8Very high84.2Confident121 Ų121113.3 Ų113.357%0.56557%0.565SS**Hα-helixtrans-58.4-46.2171.6-76.5177.6-16.700111.2S948 A954 R955 Q956S948-Q952 WeakPolarHBondContact O-CG 3.42Å; S948-Q952 PolarHBondContact O-N 2.96Å; Q952-A954 VanDerWaalsContact C-N 3.29Å; Q952-A954 PolarHBondContact O-N 2.92Å; Q952-R955 PolarHBondContact O-N 3.35Å; Q952-Q956 WeakPolarHBondContact O-CB 3.47Å; Q952-Q956 PolarHBondContact O-N 3.12Å
953L91.1Very high86.4Confident106 Ų106105.9 Ų105.956%0.55554%0.543SS*.Hα-helixtrans-61.4-37.5175.3-165.676.5000112T949 L950 E951 K957T949-L953 WeakPolarHBondContact O-CB 3.48Å; T949-L953 PolarHBondContact O-N 2.82Å; L950-L953 PolarHBondContact O-N 3.48Å; E951-L953 VanDerWaalsContact C-N 3.35Å; E951-L953 PolarHBondContact O-N 3.18Å; L953-K957 WeakPolarHBondContact O-CB 3.47Å; L953-K957 PolarHBondContact O-N 2.89Å
954A93Very high88.1Confident40 Ų40104.6 Ų104.633%0.33154%0.535SS..Hα-helixtrans-70-37.7176.200000112.9L950 E951 Q952 R958L950-A954 WeakPolarHBondContact O-CB 3.48Å; L950-A954 PolarHBondContact O-N 3.03Å; E951-A954 CarbonylContact O-C 3.6Å; E951-A954 PolarHBondContact O-N 3.08Å; E951-A954 VanDerWaalsContact O-N 3.17Å; Q952-A954 VanDerWaalsContact C-N 3.29Å; Q952-A954 PolarHBondContact O-N 2.92Å; A954-R958 VanDerWaalsContact O-CG 3.29Å; A954-R958 WeakPolarHBondContact O-CG 3.4Å; A954-R958 PolarHBondContact O-N 3.47Å; A954-R958 VanDerWaalsContact O-N 3.12Å
955R94.6Very high89.7Confident131 Ų131107.1 Ų107.149%0.49454%0.539SS..Hα-helixtrans-64.9-52.1173.3-70.6173.2-176-148.26.1110.6E951 Q952 K957 R958 E959E951-R955 WeakPolarHBondContact O-CG 3.45Å; E951-R955 PolarHBondContact O-N 2.75Å; E951-R955 IonicContact OE1-CZ 3.26Å; E951-R955 IonicContact OE1-NE 2.99Å; E951-R955 PolarHBondContact OE1-NE 3.19Å; E951-R955 IonicContact OE1-NH2 3.09Å; E951-R955 PolarHBondContact OE1-NH2 2.95Å; Q952-R955 PolarHBondContact O-N 3.35Å; R955-K957 VanDerWaalsContact C-N 3.28Å; R955-K957 PolarHBondContact O-N 3.36Å; R955-R958 WeakPolarHBondContact O-CA 3.45Å; R955-R958 WeakPolarHBondContact O-CB 3.49Å; R955-R958 PolarHBondContact O-N 3.1Å; R955-E959 PolarHBondContact O-N 3.33Å
956Q93.5Very high90.8Very high126 Ų126108.6 Ų108.659%0.58954%0.538SS*.Hα-helixtrans-54.9-40.9176.1-168.9-176.929.300112.3Q952 E959 A960Q952-Q956 WeakPolarHBondContact O-CB 3.47Å; Q952-Q956 PolarHBondContact O-N 3.12Å; Q956-E959 PolarHBondContact O-N 2.94Å; Q956-A960 WeakPolarHBondContact O-CB 3.29Å; Q956-A960 PolarHBondContact O-N 3.17Å
957K94.2Very high91.5Very high144 Ų144107 Ų10763%0.62653%0.534SS*.Hα-helixtrans-67.5-35.6175.5-172.4174.3-179.3179.50113.2L953 R955 M961L953-K957 WeakPolarHBondContact O-CB 3.47Å; L953-K957 PolarHBondContact O-N 2.89Å; R955-K957 VanDerWaalsContact C-N 3.28Å; R955-K957 PolarHBondContact O-N 3.36Å; K957-M961 WeakPolarHBondContact O-CG 3.49Å; K957-M961 PolarHBondContact O-N 3.1Å; K957-M961 VanDerWaalsContact O-N 3.15Å
958R95.1Very high91.9Very high159 Ų159105.6 Ų105.660%0.653%0.527SS*.Hα-helixtrans-67.5-40.8174.1-70.2167.1-172.8174.53.9111.3A954 R955 M961 R962A954-R958 VanDerWaalsContact O-CG 3.29Å; A954-R958 WeakPolarHBondContact O-CG 3.4Å; A954-R958 PolarHBondContact O-N 3.47Å; A954-R958 VanDerWaalsContact O-N 3.12Å; R955-R958 WeakPolarHBondContact O-CA 3.45Å; R955-R958 WeakPolarHBondContact O-CB 3.49Å; R955-R958 PolarHBondContact O-N 3.1Å; R958-M961 PolarHBondContact O-N 3.16Å; R958-R962 WeakPolarHBondContact O-CG 3.29Å; R958-R962 PolarHBondContact O-N 3.35Å
959E94.8Very high92.3Very high118 Ų118106.6 Ų106.655%0.55154%0.538SS*.Hα-helixtrans-64.8-46.4177.2-74149.8-158.300111.6R955 Q956 M961 R962 G963R955-E959 PolarHBondContact O-N 3.33Å; Q956-E959 PolarHBondContact O-N 2.94Å; E959-M961 VanDerWaalsContact C-N 3.35Å; E959-M961 PolarHBondContact O-N 3.08Å; E959-R962 WeakPolarHBondContact O-CB 3.33Å; E959-R962 PolarHBondContact O-N 3.13Å; E959-R962 VanDerWaalsContact O-N 3.08Å; E959-G963 PolarHBondContact O-N 3.15Å
960A91.1Very high92.7Very high59 Ų59108.4 Ų108.449%0.48854%0.544SS..Hα-helixtrans-57-45.2173.300000112.3Q956 R962 G963 C964Q956-A960 WeakPolarHBondContact O-CB 3.29Å; Q956-A960 PolarHBondContact O-N 3.17Å; A960-R962 VanDerWaalsContact C-N 3.33Å; A960-R962 PolarHBondContact O-N 3.32Å; A960-G963 PolarHBondContact O-N 2.96Å; A960-C964 PolarHBondContact O-N 2.82Å; A960-C964 PolarHBondContact O-SG 3.05Å; A960-C964 VanDerWaalsContact O-SG 3.36Å
961M91.6Very high92.8Very high103 Ų103109 Ų10951%0.50755%0.547SS..Hα-helixtrans-67.6-28.6176.1-69.7-169.5-52.300113.5K957 R958 E959 R965K957-M961 WeakPolarHBondContact O-CG 3.49Å; K957-M961 PolarHBondContact O-N 3.1Å; K957-M961 VanDerWaalsContact O-N 3.15Å; R958-M961 PolarHBondContact O-N 3.16Å; E959-M961 VanDerWaalsContact C-N 3.35Å; E959-M961 PolarHBondContact O-N 3.08Å; M961-R965 WeakPolarHBondContact O-CG 3.42Å; M961-R965 PolarHBondContact O-N 3.26Å; M961-R965 VanDerWaalsContact O-N 3.15Å
962R91.5Very high93Very high182 Ų182107.5 Ų107.569%0.68755%0.55SS**Hα-helixtrans-67.8-43170-78.4176.5168.9-177.8-5.5111.1R958 E959 A960 R965 L966R958-R962 WeakPolarHBondContact O-CG 3.29Å; R958-R962 PolarHBondContact O-N 3.35Å; E959-R962 WeakPolarHBondContact O-CB 3.33Å; E959-R962 PolarHBondContact O-N 3.13Å; E959-R962 VanDerWaalsContact O-N 3.08Å; A960-R962 VanDerWaalsContact C-N 3.33Å; A960-R962 PolarHBondContact O-N 3.32Å; R962-R965 PolarHBondContact O-N 3.33Å; R962-L966 PolarHBondContact O-N 3.33Å
963G93.4Very high93.1Very high37 Ų37104.7 Ų104.738%0.38154%0.543SS..Hα-helixtrans-56.8-49.9173.700000112.5E959 A960 R965 L966 Q967E959-G963 PolarHBondContact O-N 3.15Å; A960-G963 PolarHBondContact O-N 2.96Å; G963-R965 VanDerWaalsContact C-N 3.31Å; G963-R965 PolarHBondContact O-N 3Å; G963-L966 PolarHBondContact O-N 3.11Å; G963-Q967 PolarHBondContact O-N 3.34Å
964C90Very high93.3Very high82 Ų82103.7 Ų103.755%0.55454%0.538SS*.Hα-helixtrans-61.3-36.5176.5-61.60000113.1A960 A968A960-C964 PolarHBondContact O-N 2.82Å; A960-C964 PolarHBondContact O-SG 3.05Å; A960-C964 VanDerWaalsContact O-SG 3.36Å; C964-A968 WeakPolarHBondContact O-CB 3.4Å; C964-A968 PolarHBondContact O-N 2.93Å
965R91.2Very high93.3Very high197 Ų197104.5 Ų104.574%0.74355%0.545SS*.Hα-helixtrans-68.6-40.1175.6-76.2176.5178.4-162.3-2.2112.6M961 R962 G963 A968 A969M961-R965 WeakPolarHBondContact O-CG 3.42Å; M961-R965 PolarHBondContact O-N 3.26Å; M961-R965 VanDerWaalsContact O-N 3.15Å; R962-R965 PolarHBondContact O-N 3.33Å; G963-R965 VanDerWaalsContact C-N 3.31Å; G963-R965 PolarHBondContact O-N 3Å; R965-A968 PolarHBondContact O-N 3.19Å; R965-A969 WeakPolarHBondContact O-CB 3.49Å; R965-A969 PolarHBondContact O-N 2.99Å
966L92.5Very high93.2Very high128 Ų128104.7 Ų104.767%0.6755%0.552SS**Hα-helixtrans-63.7-43.7173.9-78.6161.4000111.3R962 G963 A969 L970R962-L966 PolarHBondContact O-N 3.33Å; G963-L966 PolarHBondContact O-N 3.11Å; L966-A969 PolarHBondContact O-N 3.36Å; L966-L970 WeakPolarHBondContact O-CB 3.44Å; L966-L970 PolarHBondContact O-N 3.15Å
967Q92.9Very high93.1Very high130 Ų130105 Ų10561%0.60755%0.553SS**Hα-helixtrans-63.4-42.2176.1-169.2177.114.600112G963 L970 L971G963-Q967 PolarHBondContact O-N 3.34Å; Q967-L970 PolarHBondContact O-N 3.05Å; Q967-L971 HydrophobicContact CG-CD1 4.36Å; Q967-L971 WeakPolarHBondContact O-CB 3.36Å; Q967-L971 WeakPolarHBondContact O-CG 3.42Å; Q967-L971 PolarHBondContact O-N 2.92Å
968A91.3Very high93Very high57 Ų57104 Ų10447%0.47155%0.554SS.*Hα-helixtrans-64.8-40.8175.300000112.5C964 R965 L971 A972C964-A968 WeakPolarHBondContact O-CB 3.4Å; C964-A968 PolarHBondContact O-N 2.93Å; R965-A968 PolarHBondContact O-N 3.19Å; A968-L971 PolarHBondContact O-N 3.22Å; A968-A972 WeakPolarHBondContact O-CB 3.47Å; A968-A972 PolarHBondContact O-N 3.25Å
969A93.8Very high92.8Very high59 Ų59106.7 Ų106.749%0.48856%0.564SS.*Hα-helixtrans-65.9-38.4175.600000112.4R965 L966 A972 S973R965-A969 WeakPolarHBondContact O-CB 3.49Å; R965-A969 PolarHBondContact O-N 2.99Å; L966-A969 PolarHBondContact O-N 3.36Å; A969-A972 PolarHBondContact O-N 3.49Å; A969-S973 WeakPolarHBondContact O-CB 3.49Å; A969-S973 PolarHBondContact O-N 3.37Å
970L95.7Very high92.6Very high116 Ų116106.4 Ų106.461%0.60757%0.57SS**Hα-helixtrans-67.6-42176.1-168.8152.9000111.4L966 Q967 S973 L974L966-L970 WeakPolarHBondContact O-CB 3.44Å; L966-L970 PolarHBondContact O-N 3.15Å; Q967-L970 PolarHBondContact O-N 3.05Å; L970-S973 PolarHBondContact O-N 3.39Å; L970-L974 WeakPolarHBondContact O-CB 3.36Å; L970-L974 PolarHBondContact O-N 3.3Å
971L95.1Very high92.3Very high103 Ų103106.7 Ų106.754%0.53958%0.579SS.*Hα-helixtrans-64-39.7173.2-73.6169.5000112.4Q967 A968 L974 A975Q967-L971 HydrophobicContact CG-CD1 4.36Å; Q967-L971 WeakPolarHBondContact O-CB 3.36Å; Q967-L971 WeakPolarHBondContact O-CG 3.42Å; Q967-L971 PolarHBondContact O-N 2.92Å; A968-L971 PolarHBondContact O-N 3.22Å; L971-L974 PolarHBondContact O-N 3.29Å; L971-A975 WeakPolarHBondContact O-CB 3.48Å; L971-A975 PolarHBondContact O-N 3.28Å
972A95.1Very high91.7Very high60 Ų60104.8 Ų104.850%0.49659%0.585SS.*Hα-helixtrans-64.9-42.9174.700000112A968 A969 A975 Q976A968-A972 WeakPolarHBondContact O-CB 3.47Å; A968-A972 PolarHBondContact O-N 3.25Å; A969-A972 PolarHBondContact O-N 3.49Å; A972-A975 PolarHBondContact O-N 3.08Å; A972-Q976 WeakPolarHBondContact O-CB 3.24Å; A972-Q976 PolarHBondContact O-N 3.16Å
973S94.5Very high90Very high61 Ų61105.4 Ų105.443%0.42761%0.609SS.*Hα-helixtrans-61.1-45.2174.7-1730000111.7A969 L970 Q976 Q977A969-S973 WeakPolarHBondContact O-CB 3.49Å; A969-S973 PolarHBondContact O-N 3.37Å; L970-S973 PolarHBondContact O-N 3.39Å; S973-Q976 PolarHBondContact O-N 3.28Å; S973-Q977 WeakPolarHBondContact O-CG 3.36Å; S973-Q977 PolarHBondContact O-N 3.44Å
974L93.8Very high89.8Confident85 Ų85108.9 Ų108.945%0.44562%0.621SS.*Hα-helixtrans-66.5-39.1177.9-174141.2000112.1L970 L971 Q976 Q977 L978L970-L974 WeakPolarHBondContact O-CB 3.36Å; L970-L974 PolarHBondContact O-N 3.3Å; L971-L974 PolarHBondContact O-N 3.29Å; L974-Q976 VanDerWaalsContact C-N 3.32Å; L974-Q976 PolarHBondContact O-N 2.91Å; L974-Q977 PolarHBondContact O-N 3.39Å; L974-L978 HydrophobicContact CD2-CD1 3.69Å; L974-L978 HydrophobicContact CD2-CG 4.37Å; L974-L978 WeakPolarHBondContact O-CB 3.45Å; L974-L978 WeakPolarHBondContact O-CG 3.48Å; L974-L978 PolarHBondContact O-N 3.04Å
975A93.5Very high89.8Confident57 Ų57110.3 Ų110.347%0.47162%0.624SS.*Hα-helixtrans-64.5-35.5172.200000112.4L971 A972 R979L971-A975 WeakPolarHBondContact O-CB 3.48Å; L971-A975 PolarHBondContact O-N 3.28Å; A972-A975 PolarHBondContact O-N 3.08Å; A975-R979 WeakPolarHBondContact O-CB 3.29Å; A975-R979 PolarHBondContact O-N 3Å
976Q92.3Very high89.7Confident136 Ų136105.4 Ų105.464%0.63662%0.617SS**Hα-helixtrans-71.4-38.8175-171.6168.4-500111.9A972 S973 L974 R979 V980A972-Q976 WeakPolarHBondContact O-CB 3.24Å; A972-Q976 PolarHBondContact O-N 3.16Å; S973-Q976 PolarHBondContact O-N 3.28Å; L974-Q976 VanDerWaalsContact C-N 3.32Å; L974-Q976 PolarHBondContact O-N 2.91Å; Q976-R979 PolarHBondContact O-N 3.17Å; Q976-V980 WeakPolarHBondContact O-CG2 3.44Å; Q976-V980 PolarHBondContact O-N 3.26Å
977Q91.2Very high89.6Confident133 Ų133104.1 Ų104.162%0.62161%0.614SS**Hα-helixtrans-62.4-45.6172.3-75.3179-22.400111.8S973 L974 R979 V980 G981S973-Q977 WeakPolarHBondContact O-CG 3.36Å; S973-Q977 PolarHBondContact O-N 3.44Å; L974-Q977 PolarHBondContact O-N 3.39Å; Q977-R979 VanDerWaalsContact C-N 3.29Å; Q977-R979 PolarHBondContact O-N 3.21Å; Q977-V980 PolarHBondContact O-N 3.28Å; Q977-G981 PolarHBondContact O-N 3Å
978L93.2Very high89.4Confident123 Ų123102.5 Ų102.564%0.64462%0.615SS**Hα-helixtrans-63.6-32.8175.6-71.4173.5000112.9L974 G982L974-L978 HydrophobicContact CD2-CD1 3.69Å; L974-L978 HydrophobicContact CD2-CG 4.37Å; L974-L978 WeakPolarHBondContact O-CB 3.45Å; L974-L978 WeakPolarHBondContact O-CG 3.48Å; L974-L978 PolarHBondContact O-N 3.04Å; L978-G982 PolarHBondContact O-N 3.42Å
979R90.4Very high89.3Confident215 Ų215105.5 Ų105.581%0.81162%0.624SS**Hα-helixtrans-72.7-27.8174.4-179.7172.9-75.9169-5.4113.3A975 Q976 Q977A975-R979 WeakPolarHBondContact O-CB 3.29Å; A975-R979 PolarHBondContact O-N 3Å; Q976-R979 PolarHBondContact O-N 3.17Å; Q977-R979 VanDerWaalsContact C-N 3.29Å; Q977-R979 PolarHBondContact O-N 3.21Å
980V91.1Very high88.9Confident111 Ų111108.9 Ų108.967%0.67363%0.634SS**Hα-helixtrans-88-34.5178.6172.40000112Q976 Q977 G982Q976-V980 WeakPolarHBondContact O-CG2 3.44Å; Q976-V980 PolarHBondContact O-N 3.26Å; Q977-V980 PolarHBondContact O-N 3.28Å; V980-G982 VanDerWaalsContact C-N 3.31Å; V980-G982 PolarHBondContact O-N 3.09Å
981G85.2Confident88.4Confident66 Ų66108.3 Ų108.368%0.6864%0.636SS**SBendtrans-90.120.2176.100000114.9Q977Q977-G981 PolarHBondContact O-N 3Å
982G77.3Confident87.8Confident62 Ų62108.8 Ų108.864%0.63964%0.644SS**  trans-103.115.3179.400000114.3L978 V980L978-G982 PolarHBondContact O-N 3.42Å; V980-G982 VanDerWaalsContact C-N 3.31Å; V980-G982 PolarHBondContact O-N 3.09Å
983V56.6Low87.2Confident196 Ų196113.2 Ų113.2100%1.18866%0.658SS**  trans-134.50178.6-174.20000108.2

Retrieved 983 of 983 residues in 111.5 ms (Link to these results)