A0A096MVE0_PAPAN Loading...

GATA binding protein 6

AlphaFold DB , UniProt , Accession A0A096MVE0, Species PAPAN (Papio anubis, Olive baboon), Gene GATA6, Length 595 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.4Very low38.6Very low236 Ų236140 Ų140100%1.16383%0.827SS**  0112.20-64.3147-178.800105.5
2A38.1Very low38.2Very low91 Ų91144.4 Ų144.475%0.75283%0.828SS**  73.6123.961.600000110.7
3L38.8Very low38.4Very low152 Ų152150.7 Ų150.780%0.79683%0.83SS**  cis-157.5159.76.4-96.1149.2000111.8
4T45.3Very low38.2Very low110 Ų110154.2 Ų154.268%0.67583%0.833SS**  trans61.413014155.10000125.8
5D43.1Very low37.9Very low158 Ų158148.3 Ų148.385%0.84582%0.823SS**  56.6146.7127.3-70.7-94.3000126.8
6G35.5Very low38Very low80 Ų80145.3 Ų145.383%0.82582%0.823SS**  trans85.9145.1152.300000116.6
7G33.5Very low37.9Very low69 Ų69142.9 Ų142.971%0.71183%0.826SS**  cis174.9140.8-6.400000111.7
8W36.4Very low37.8Very low251 Ų251139.3 Ų139.395%0.95182%0.824SS**  trans-18.2134.6170.6-60.968000118.5
9C32.9Very low37.8Very low126 Ų126137.3 Ų137.385%0.85183%0.825SS**  178.3147.5117.5-99.70000116.2
10L35Very low37.8Very low161 Ų161138.5 Ų138.584%0.84383%0.827SS**  trans-89.8-179153.9-107.375.4000108.6
11P51.4Low37.8Very low106 Ų106136.9 Ų136.969%0.68883%0.829SS**  cis-131.8-161.9-6.136.5-15.6000112.3
12K34.3Very low38.1Very low193 Ų193131.4 Ų131.484%0.83981%0.814SS**  158165.3101.8-150.5157.2-175.3176.20113.4
13R40.8Very low38.1Very low226 Ų226135 Ų13585%0.85382%0.82SS**  trans-122.6149-169.2168.1-168.9-178.2-165.84.4109.4
14F35.5Very low38.2Very low200 Ų200133.1 Ų133.188%0.87782%0.82SS**  trans-133.6151.4168.6-95.5-84.2000112.6
15G34Very low37.6Very low65 Ų65131.7 Ų131.767%0.6783%0.827SS**  trans-128.9-158.3157.500000107.7
16A38.8Very low37.4Very low100 Ų100128.7 Ų128.783%0.82682%0.824SS**  cis-164.4-165.12.400000109.5
17A35.8Very low37.4Very low106 Ų106134.5 Ų134.588%0.87683%0.827SS**  trans73.9150.8173.900000117.4
18G37Very low38.4Very low77 Ų77137 Ų13779%0.79483%0.831SS**  cis140.9122-12.800000114.7
19A36.8Very low38.5Very low101 Ų101129.8 Ų129.884%0.83582%0.824SS**  trans-164.7151.2167.300000111.3
20D37.6Very low38.5Very low162 Ų162135.3 Ų135.387%0.86683%0.827SS**  trans-101.2157.5-171.9-55.6-94.4000114.8
21A38.8Very low38.8Very low105 Ų105135 Ų13587%0.86883%0.826SS**  trans-159.8143.4146.400000110
22S40Very low38.8Very low121 Ų121135.5 Ų135.585%0.84683%0.829SS**  trans-122.6144.5-178.6-49.80000111.6
23D38.4Very low39Very low166 Ų166132.1 Ų132.189%0.88883%0.83SS**  trans-149.8161.5151.9-165.220.4000110.7
24S41.9Very low39.1Very low113 Ų113127.8 Ų127.879%0.7983%0.829SS**  trans-125.8132.3-164.9-58.20000113.1
25G32.4Very low39.7Very low79 Ų79123.3 Ų123.381%0.81482%0.82SS**  trans-151.4108.6173.300000112.1
26A38.8Very low40.2Very low95 Ų95126.1 Ų126.179%0.78583%0.826SS**  trans-104.8134.3-176.700000112.2
27F35.9Very low40Very low203 Ų203126.6 Ų126.689%0.8982%0.824SS**  trans-138.8148.6164-78.6-73.1000110.7
28P53Low40.6Very low122 Ų122127.5 Ų127.579%0.79282%0.82SS**  trans-89.7161.9-159.435-37.5000115.3
29A38.9Very low40.6Very low98 Ų98131.8 Ų131.881%0.8182%0.824SS**  trans-74.8161.517700000113.9
30R34Very low40.3Very low243 Ų243132.6 Ų132.692%0.91782%0.823SS**  trans-140.6134.2160.6-71.8-172.864.6-162.9-2.6110.1
31D41.2Very low40.1Very low155 Ų155130.4 Ų130.483%0.82982%0.821SS**  trans-78.5164.4177.1-96-55.4000113.5
32P51Low39.9Very low115 Ų115131.1 Ų131.175%0.74782%0.819SS**  trans-88.3149-16934.7-35.9000114.6
33S37.9Very low39.5Very low123 Ų123130 Ų13086%0.8681%0.811SS**  trans-139.1138.3167.7-64.40000111.3
34T44.2Very low39.3Very low135 Ų135126.9 Ų126.983%0.82880%0.803SS**  trans-101.4-172.1-175.5-26.40000111.5
35P46.4Very low38.9Very low105 Ų105127.3 Ų127.368%0.68281%0.806SS**  -96167.7-11140.8-30.1000115.5
36P44.8Very low39Very low124 Ų124129.3 Ų129.381%0.80581%0.806SS**  trans-88.5151.5165.635.5-32.9000113.2
37S35.8Very low38.9Very low111 Ų111130.2 Ų130.278%0.77681%0.806SS**  trans-154163.5167.8-83.20000108.5
38P48.6Very low38.9Very low124 Ų124132.4 Ų132.481%0.80581%0.808SS**  -84.9151.7-124.530.4-38000115.6
39I35.5Very low37.9Very low168 Ų168130.2 Ų130.286%0.86281%0.809SS**  trans-109.6123.9167.343.8172.9000110.1
40S32Very low37.7Very low117 Ų117129.1 Ų129.182%0.81881%0.807SS**  trans-98.5135.9169.2-59.40000109.4
41S32.2Very low37.9Very low117 Ų117124.7 Ų124.782%0.81880%0.796SS**  trans-150.7110.4169.3-67.30000110.7
42S34.4Very low37.8Very low120 Ų120127.7 Ų127.784%0.83980%0.796SS**  trans-66.9164.3152.5-36.90000108.4
43S32.6Very low36.9Very low97 Ų97125.7 Ų125.768%0.67880%0.796SS**  cis-161.1-178.410.952.50000109.7
44S33.2Very low37.7Very low101 Ų101126.2 Ų126.271%0.70680%0.796SS**  trans66145.3151.840.60000118.6
45S34.2Very low37.2Very low122 Ų122123.7 Ų123.785%0.85380%0.798SS**  cis-156.6162.1-7.2-98.80000111
46C35.3Very low36.6Very low121 Ų121122.6 Ų122.682%0.81881%0.806SS**  trans-92.7160178.1570000113.9
47S35.4Very low36.2Very low114 Ų114121.1 Ų121.180%0.79780%0.803SS**  trans-170.1147.6173.8-88.60000109.3
48R37.2Very low36.4Very low248 Ų248121.1 Ų121.194%0.93680%0.803SS**  cis-160.2164.40.8-140.1177.4176.3-171.7-0.9112
49G32.1Very low35.9Very low77 Ų77122.6 Ų122.679%0.79481%0.805SS**  trans126.6131.8175.800000109.7
50G33.3Very low35.7Very low75 Ų75120.8 Ų120.877%0.77381%0.806SS**  cis131.6127.118.400000106.2
51E38.5Very low35.7Very low150 Ų150118.9 Ų118.970%0.70180%0.804SS**  cis-151.7179.422.3-44.917095.400113
52R38.8Very low35.8Very low218 Ų218119.6 Ų119.682%0.82380%0.804SS**  trans72.7147.3156.4-61.3162.6-145.8-110.2-1.5119.4
53G32.5Very low36.6Very low72 Ų72119.2 Ų119.274%0.74280%0.798SS**  trans-128.2-150.3171.600000110.4
54P55.6Low36.7Very low134 Ų134121 Ų12187%0.8780%0.796SS**  cis-136.6176.411.943-26000116.8
55G33.4Very low36.9Very low83 Ų83122.7 Ų122.786%0.85680%0.796SS**  trans82.5146.2171.600000114.7
56G33.3Very low36.6Very low82 Ų82123 Ų12385%0.84579%0.788SS**  cis129.3126.45.100000110.2
57A37.2Very low36.8Very low92 Ų92121.2 Ų121.276%0.7678%0.782SS**  cis-160.4164.40.100000111.8
58S40Very low36.7Very low111 Ų111125 Ų12578%0.77679%0.787SS**  trans61.8149155.4-59.80000119.5
59N36.5Very low36.4Very low156 Ų156117.7 Ų117.783%0.83478%0.78SS**  cis-141.6165.919.1-118.6-17.6000113
60C32.4Very low36.6Very low130 Ų130118.4 Ų118.488%0.87878%0.779SS**  trans-119165-178-58.50000112.6
61G31.8Very low36.5Very low76 Ų76120.3 Ų120.378%0.78479%0.787SS**  trans-158128.9169.900000113.1
62T34.7Very low36.2Very low133 Ų133116.3 Ų116.382%0.81679%0.786SS**  trans-141.5177.1-17752.40000108.7
63P50.9Low36.8Very low112 Ų112111.9 Ų111.973%0.72779%0.786SS**  cis-111.4-121.11.630.1-6.5000112.4
64Q33.8Very low37.5Very low135 Ų135114 Ų11463%0.63179%0.786SS**  cis-153.8167.910.4-178.944.831.400111.6
65L38.3Very low36.2Very low135 Ų135111.9 Ų111.971%0.70778%0.78SS**  trans-82.3-178.1176.1-45.2172.5000111.5
66D28.5Very low36.3Very low128 Ų128118.4 Ų118.468%0.68478%0.779SS**  cis-142.1163.218.3-81.1-71.6000109.1
67A37.8Very low36Very low84 Ų84119.8 Ų119.869%0.69478%0.776SS**  66.4140.651.300000113.5
68E33.8Very low36Very low193 Ų193123 Ų12390%0.90278%0.779SS**  cis-156.2-176.84.3-168.7160.781.200111.5
69A32.3Very low35.7Very low95 Ų95126.1 Ų126.179%0.78579%0.786SS**  trans101.1152.1152.600000120.1
70A35.3Very low35.4Very low93 Ų93125.8 Ų125.877%0.76978%0.783SS**  -179.3132.7-59.200000111.5
71A31.7Very low35.3Very low115 Ų115125 Ų12595%0.9578%0.78SS**  trans57.7161.5170.900000117.5
72G31.2Very low35.3Very low66 Ų66126 Ų12668%0.6877%0.774SS**  cis-165174.2-3.500000112.7
73P51.8Low35.1Very low125 Ų125131.1 Ų131.181%0.81278%0.781SS**  trans-92-170.3-17342.1-39.9000112.2
74P46.8Very low34.2Very low116 Ų116129.7 Ų129.775%0.75378%0.778SS**  cis-145.8-172.912.945.3-24.9000118.9
75A29.7Very low34.2Very low89 Ų89128.5 Ų128.574%0.73679%0.785SS**  trans73115.2148.300000121.7
76R34.1Very low34.2Very low221 Ų221131 Ų13183%0.83479%0.792SS**  trans-143.2129.5150.4-58.7-178.474.4167.43.5105.7
77S28.5Very low34.8Very low111 Ų111130.3 Ų130.378%0.77680%0.795SS**  cis62.691.429.7-59.30000113.9
78L35.6Very low34.6Very low158 Ų158136.4 Ų136.483%0.82781%0.806SS**  trans-121.3138.6156.8-71.7178.2000108.3
79L35.6Very low34.5Very low178 Ų178130.7 Ų130.793%0.93280%0.799SS**  trans-94.7157.8-170.7-80.1166.6000112.8
80L30.2Very low34.7Very low148 Ų148132.2 Ų132.278%0.77580%0.798SS**  trans-82.7138.7174.9-169.871.4000110.7
81S29.4Very low35.4Very low115 Ų115133.3 Ų133.380%0.80480%0.798SS**  trans-141.9115.3153.9-69.60000106.7
82S32.2Very low35.6Very low95 Ų95136.6 Ų136.666%0.66479%0.793SS**  70.678.252-52.40000112.1
83Y30.2Very low35.7Very low242 Ų242136.6 Ų136.695%0.94979%0.793SS**  trans-125.5137.8155-133.1-91.3000107.1
84A32.7Very low35.5Very low82 Ų82137 Ų13768%0.67880%0.796SS**  trans-142.8159.2-165.800000113.2
85S33.9Very low34.9Very low110 Ų110137.1 Ų137.177%0.76980%0.799SS**  trans67.5102.9159.5-54.50000118.3
86H36.3Very low35.2Very low186 Ų186137.5 Ų137.586%0.86180%0.802SS**  trans-61.3152.5141.7-66.5-98.2000109.9
87P43.1Very low35.9Very low114 Ų114133.3 Ų133.374%0.7480%0.803SS**  trans-136.4123.5134.634.2-21.5000112.3
88F33.3Very low36.1Very low213 Ų213131.4 Ų131.493%0.93480%0.802SS**  trans-131.7126.3153.9-91.5-78.1000108.2
89G31.1Very low36Very low73 Ų73131.2 Ų131.275%0.75381%0.806SS**PPolyproline II helixtrans-95.1160.2-164.200000114.7
90V35.7Very low36Very low126 Ų126127.2 Ų127.276%0.76480%0.799SS**PPolyproline II helixtrans-77.2134.3160.61750000109
91P49.7Very low35.9Very low117 Ų117123.6 Ų123.676%0.7680%0.797SS**PPolyproline II helixtrans-95.9132.9155.133.3-27.5000110.6
92H36.1Very low37Very low184 Ų184124.9 Ų124.985%0.85280%0.803SS**PPolyproline II helixtrans-77.5150.3166.4-68.5-113.4000109.8
93G33Very low36.9Very low65 Ų65124 Ų12467%0.6781%0.809SS**PPolyproline II helixtrans-91.9170.2172.100000113.4
94P48.9Very low36.9Very low135 Ų135116.5 Ų116.588%0.87781%0.805SS**PPolyproline II helixtrans-96.2171.7165.637.1-31.4000112.2
95S32.8Very low37Very low117 Ų117119.6 Ų119.682%0.81881%0.81SS**  trans-122.7155.9-168.6-530000114.7
96A36.4Very low36.8Very low97 Ų97121.1 Ų121.180%0.80281%0.809SS**  trans68166.5157.800000117.3
97P48.7Very low36.7Very low133 Ų133117.8 Ų117.886%0.86481%0.807SS**  cis-112.3-173.7-3.141-29.4000113.8
98G32.6Very low36.1Very low72 Ų72117.4 Ų117.474%0.74281%0.807SS**  trans-131.6172.2-17700000115.2
99V35.1Very low36Very low153 Ų153116.7 Ų116.793%0.92780%0.798SS**  trans-140.8161.8178.6177.10000109.2
100A33.9Very low36.1Very low95 Ų95120.5 Ų120.579%0.78580%0.796SS**  trans-82.2172.9-168.700000116.4
101G28.3Very low35.9Very low71 Ų71121.1 Ų121.173%0.73280%0.795SS**  trans-83.8-150.6168.100000113.2
102P52.7Low35.1Very low143 Ų143121.4 Ų121.493%0.92979%0.79SS**  cis-136.2-173.111.343.4-25.4000116.1
103G30.2Very low35Very low77 Ų77119.3 Ų119.379%0.79478%0.784SS**  trans154.4141.7174.500000109.4
104G31.3Very low34.9Very low83 Ų83122.6 Ų122.686%0.85679%0.785SS**  cis101.212842.900000108.4
105N32.9Very low34Very low147 Ų147125.1 Ų125.179%0.78678%0.783SS**  cis-159.3-176.412.3-152.88.2000112.3
106L31.3Very low34Very low143 Ų143125.2 Ų125.275%0.74978%0.779SS**  trans-22.2158.8163.4-63.7163.5000118.5
107S32.9Very low33.6Very low116 Ų116126.9 Ų126.981%0.81177%0.774SS**  -174.7173.376.2-62.40000116.1
108S31.2Very low32.8Very low106 Ų106127.8 Ų127.874%0.74177%0.771SS**  trans-135.4-156.8164.1-148.50000107.6
109W30.6Very low32.8Very low198 Ų198130.1 Ų130.175%0.7577%0.767SS**  cis-161.9154.715.525.5-89.5000110
110E33.8Very low32.7Very low152 Ų152131 Ų13171%0.7176%0.761SS**  trans58.9168.5163.1-70146.2-179.500116.9L112E110-L112 HydrophobicContact CG-CD1 4.38Å
111D30.5Very low32.6Very low140 Ų140130.3 Ų130.375%0.74976%0.755SS**  cis-1201630.2-85.4-58.4000109.8
112L33.3Very low32.8Very low123 Ų123131 Ų13164%0.64475%0.754SS**  cis99.7108.624.6-71.3173.9000117.4E110E110-L112 HydrophobicContact CG-CD1 4.38Å
113L34.8Very low31.9Very low140 Ų140130.7 Ų130.773%0.73375%0.749SS**  trans84.5129.9138.5-63.2173000124.5
114L31.3Very low32.1Very low133 Ų133131.4 Ų131.470%0.69675%0.748SS**  trans68.2148.8147.5-62.1164.2000117.9
115F29.1Very low32Very low189 Ų189133.4 Ų133.483%0.82975%0.749SS**  cis-135-179.228.3-103.7-91.8000115.3
116T33Very low32.1Very low118 Ų118136.1 Ų136.172%0.72475%0.754SS**  trans-70.6178.2166.753.90000111.7
117D27.4Very low32.2Very low132 Ų132138.1 Ų138.171%0.70676%0.764SS**  cis-163.5173.722.5-164.9-157.2000113.3
118L32.5Very low32.4Very low153 Ų153140 Ų14080%0.80176%0.764SS**  trans78.7150.7144.7-139.455.5000124.4
119D32.3Very low32.2Very low121 Ų121145.9 Ų145.965%0.64777%0.77SS**  trans-62.1151.4-177.7-166.374.3000116.1
120Q33.5Very low32.1Very low171 Ų171140.5 Ų140.580%0.79976%0.763SS**  178135.3110.1-153.9118.2107.500116.7
121A30.7Very low32.1Very low80 Ų80137.3 Ų137.366%0.66176%0.758SS**  trans27.5116.6147.100000124.2
122A32.5Very low32.2Very low87 Ų87141.9 Ų141.972%0.71976%0.764SS**  70.9152.8112.700000124.3
123T34.3Very low32.2Very low135 Ų135139.7 Ų139.783%0.82877%0.771SS**  trans57.4112160.744.90000118.6
124A34.1Very low32.1Very low93 Ų93138 Ų13877%0.76978%0.777SS**  88.8133.452.400000115.3
125S30.5Very low32.2Very low124 Ų124140.9 Ų140.987%0.86778%0.784SS**  trans-155.9132.3160.1-84.30000111.1
126K34.8Very low32.3Very low205 Ų205139.8 Ų139.889%0.89179%0.786SS**  trans-114.1142.6160.2-78.1-177.8174.5-179.20107.1
127L33.1Very low32.2Very low185 Ų185139.3 Ų139.397%0.96979%0.788SS**  trans-89.2161.1165.9-72.5177.1000111.8
128L36.4Very low33.2Very low156 Ų156137.5 Ų137.582%0.81778%0.783SS**  trans-120.4145.4-162.1-161.885.7000110.3
129W28Very low33.1Very low228 Ų228140 Ų14086%0.86479%0.788SS**  trans-149.6152.8140.5-165.9-102.2000110.9
130S28.1Very low33.1Very low85 Ų85138.4 Ų138.459%0.59479%0.792SS**  trans-166.6170.2177.8-79.40000109.7
131S32.8Very low33.6Very low86 Ų86135.7 Ų135.760%0.60179%0.789SS**  trans82.7142.9-179.2-57.60000115.1
132R34.4Very low33.6Very low236 Ų236140.4 Ų140.489%0.89180%0.797SS**  cis-165156.7-3.2-116.8166.9-140.3-157.31.1112.1
133G32.9Very low33.5Very low76 Ų76144.1 Ų144.178%0.78480%0.8SS**  trans90.4147.2149.500000116.8
134A31.9Very low34Very low105 Ų105142.9 Ų142.987%0.86879%0.794SS**  cis-151.9179.3-5.100000112.1
135K33.8Very low33.9Very low193 Ų193146.6 Ų146.684%0.83980%0.796SS**  trans-65.1162.8176.6-63.5179.7175.7179.90111
136L31.1Very low34.3Very low167 Ų167149.4 Ų149.487%0.87480%0.795SS**  -153.2-177.250.1-78162.4000113.7
137S31.5Very low34.2Very low108 Ų108147.8 Ų147.876%0.75579%0.793SS**  trans-149.4172.7178.5-155.10000106.6
138P48.7Very low34.3Very low94 Ų94149 Ų14961%0.6179%0.786SS**  cis-141.4-175.7939.1-17.4000117.2
139F30.1Very low34.2Very low204 Ų204150.6 Ų150.690%0.89579%0.789SS**  trans68.1146.4163.1-73.9-71.2000120.6
140A32.3Very low34.5Very low89 Ų89144.2 Ų144.274%0.73678%0.775SS**  trans-109170.3166.700000108.6
141P44.2Very low34.8Very low114 Ų114148 Ų14874%0.7479%0.788SS**  -146.6-164.970.339.2-18.5000114.6
142E30.1Very low35Very low178 Ų178149 Ų14983%0.83280%0.802SS**  trans70.5124.2163-59.5-62.673.200121.1
143Q30.9Very low35Very low166 Ų166142.1 Ų142.178%0.77680%0.795SS**  trans-81.1164.1147.9-75.9-85.3-31.100107.9
144P43.7Very low34.9Very low109 Ų109146.3 Ų146.371%0.70880%0.799SS**  cis-148.3-177.736.543-22000118.1
145E33.4Very low34.8Very low171 Ų171146 Ų14680%0.79979%0.79SS**  trans53.6109.2155.1-73.1-174.7152.300121.7
146E38.1Very low34.9Very low182 Ų182141.7 Ų141.785%0.8578%0.784SS**  28.6115.9116.9-62.9-63.5148.200119.3
147M33.6Very low35Very low171 Ų171143 Ų14384%0.84279%0.786SS**  175.2114.8129.1173.9172.159.200112
148Y33.5Very low34.8Very low211 Ų211141.2 Ų141.283%0.82779%0.785SS**  trans-163.181.9138-125.6-78000112.1
149Q35.1Very low34.8Very low190 Ų190142.9 Ų142.989%0.88880%0.795SS**  trans-114.7120.4165.9-170.266.16600108.3
150T33.5Very low34.8Very low93 Ų93138 Ų13857%0.57179%0.793SS**  trans-99138.9-163-52.30000113.5
151L35Very low34.7Very low165 Ų165138.7 Ų138.786%0.86480%0.798SS**  trans70.396.8163-11369.8000119.5
152A36.9Very low34Very low107 Ų107143.9 Ų143.988%0.88481%0.805SS**  -169.7158.4119.800000109.1
153A35.1Very low34.2Very low91 Ų91142.1 Ų142.175%0.75280%0.801SS**  trans-141.6151.8-17200000113.5
154L30.6Very low34.1Very low164 Ų164137.3 Ų137.386%0.85980%0.796SS**  172.3148.2122.1-91.1161.4000114.8
155S30.4Very low33.7Very low98 Ų98136.7 Ų136.769%0.68580%0.8SS**  trans47.286.9151.160.60000122.6
156S35Very low34.6Very low103 Ų103134.6 Ų134.672%0.7280%0.801SS**  35.6147.5114.560.40000124.7
157Q33.7Very low34.4Very low194 Ų194129.7 Ų129.791%0.90780%0.8SS**  trans102.8142.2159.9-59.6175.688.700118.4
158G27.5Very low34.3Very low71 Ų71124.7 Ų124.773%0.73279%0.792SS**  trans-140.3-154.2167.800000108.6
159P48.6Very low34.2Very low129 Ų129124.3 Ų124.384%0.83880%0.795SS**  cis-135.6-168.1-0.743.7-26.3000114.3
160A29.4Very low34.4Very low103 Ų103120.7 Ų120.785%0.85179%0.786SS**  trans78.6160.4151.600000121.6
161A29.4Very low34.7Very low102 Ų102123.9 Ų123.984%0.84379%0.794SS**  trans-70.4161-160.900000119.2
162Y31.2Very low34.8Very low224 Ų224120.8 Ų120.888%0.87879%0.786SS**  trans-162.8173.2130.8-170-118.7000112
163D33Very low34.9Very low141 Ų141120.4 Ų120.475%0.75478%0.782SS**  trans-93.4-178179-155.8-33.9000111.4
164G29.3Very low34.9Very low64 Ų64121 Ų12166%0.6679%0.788SS**  trans129.5112157.200000118.4
165A34.5Very low35.1Very low97 Ų97118 Ų11880%0.80279%0.787SS**  trans-91.3-171.3148.400000109
166P53.9Low35.2Very low126 Ų126117.9 Ų117.982%0.81879%0.791SS**  cis-142.9179.6-0.643.7-25.9000116.9
167G32.8Very low35.2Very low79 Ų79117.5 Ų117.581%0.81479%0.794SS**  trans95.8149.7132.400000121.9
168G31.6Very low35.1Very low66 Ų66113.2 Ų113.268%0.6879%0.792SS**  trans93.6125.4170.700000114.9
169F32.8Very low35.3Very low204 Ų204114.8 Ų114.890%0.89580%0.798SS**  69.8127.451.7-73.2-128.9000112.6
170V39.1Very low34.4Very low114 Ų114113.8 Ų113.869%0.69180%0.801SS**  cis-160.3-178.2-6.6-900000107.4
171H39.7Very low34.6Very low160 Ų160113.7 Ų113.774%0.74180%0.8SS**  cis-157.717312.4-134.4-58.6000112.4
172S36.9Very low34.7Very low99 Ų99113.3 Ų113.369%0.69280%0.797SS**  trans-21.2157.7153.7-56.30000120.8
173A39.2Very low34.9Very low99 Ų99107.2 Ų107.282%0.81879%0.793SS**  cis-172.1157.9-12.800000112.9
174A33.5Very low35Very low105 Ų105105.7 Ų105.787%0.86879%0.793SS**  trans-156.7156.5153.100000110.3
175A35.1Very low35.3Very low101 Ų101108.4 Ų108.484%0.83580%0.802SS**  trans-85.8167.7-175.200000112.6
176A33.2Very low36.1Very low94 Ų94109 Ų10978%0.77780%0.798SS**  cis-157.9167.126.400000115
177A34.3Very low35.1Very low95 Ų95109.3 Ų109.379%0.78580%0.797SS**  trans42.299.5162.300000117.5
178A31.9Very low35.1Very low104 Ų104116 Ų11686%0.8680%0.799SS**  cis62.6130.948.300000114
179A31.8Very low35.3Very low105 Ų105117.5 Ų117.587%0.86880%0.795SS**  cis-141.8163.57.600000113.1
180A29.9Very low35.7Very low108 Ų108114 Ų11489%0.89379%0.793SS**  trans-121.8179.5-177.500000112.8
181A33Very low35.5Very low100 Ų100114.2 Ų114.283%0.82680%0.795SS**  trans-77.1169.6-165.100000117.2
182A33.2Very low35.7Very low94 Ų94112.8 Ų112.878%0.77780%0.797SS**  trans123.7144.3131.800000118.6
183A34.4Very low35.9Very low97 Ų97119.7 Ų119.780%0.80281%0.808SS**  trans65.1149159.200000119.7
184S36Very low35.8Very low108 Ų108121.4 Ų121.476%0.75581%0.808SS**  cis-170.6128.8-17.650.60000113.3
185S34.1Very low35.8Very low122 Ų122120.2 Ų120.285%0.85381%0.806SS**  trans59.7174.8163.3-116.70000118.1
186P50.8Low35.9Very low108 Ų108120.3 Ų120.370%0.70180%0.8SS**  cis-126.1175.7-24.833.5-14.9000114.2
187V34.5Very low36Very low134 Ų134124.8 Ų124.881%0.81281%0.808SS**  trans33.3126.5154.1179.90000121.1
188Y32.2Very low36.3Very low218 Ų218128 Ų12886%0.85581%0.811SS**  trans-147.9157.6152-155.9-103.8000114
189V36.3Very low37.1Very low99 Ų99129.3 Ų129.360%0.681%0.81SS**  trans-113.9134.9-175.6177.90000110.8T191V189-T191 PolarHBondContact O-N 3.18Å
190P40Very low37.2Very low130 Ų130127.8 Ų127.884%0.84481%0.805SS**  trans-81105.1179.231.4-33.4000112.6
191T35.1Very low37.6Very low119 Ų119130.8 Ų130.873%0.7381%0.805SS**  trans-101.3155166.9-820000111.4V189V189-T191 PolarHBondContact O-N 3.18Å
192T43.5Very low38.5Very low129 Ų129131.6 Ų131.679%0.79180%0.802SS**  trans-42.4150.7-17755.30000116.8
193R41.3Very low38.5Very low244 Ų244135.8 Ų135.892%0.92180%0.799SS**  trans-144.9135.7149.141.2-172.7166.7-145.6-1.3112
194V36.9Very low38.5Very low136 Ų136138.9 Ų138.982%0.82480%0.797SS**  trans-102.9152.6177.9179.40000108.3
195G33.9Very low38.5Very low79 Ų79139.7 Ų139.781%0.81479%0.792SS**  trans-157100.7174.700000112
196S36.9Very low38.5Very low103 Ų103142 Ų14272%0.7279%0.789SS**  trans-98.2150176.8-50.20000111.1
197M36.4Very low37.5Very low189 Ų189139.4 Ų139.493%0.93178%0.782SS**  trans-154.6142.1143.8-89.8-51.9168.800110.5
198L40.1Very low37.6Very low161 Ų161139.6 Ų139.684%0.84379%0.789SS**  trans-110.7163.8167.8-75.6163.8000108.2
199P49.5Very low37.5Very low132 Ų132132.1 Ų132.186%0.85778%0.779SS**  -150.2160.692.437.5-19.9000116
200G33.6Very low37.3Very low73 Ų73133.8 Ų133.875%0.75380%0.795SS**  trans160.397.6166.300000116.1
201L38.3Very low36.9Very low172 Ų172130.8 Ų130.890%0.90179%0.787SS**  trans-141151169.7-81.2-179.4000107.6
202P52.5Low37.9Very low117 Ų117131.4 Ų131.476%0.7679%0.794SS**  -147.4-162.869.646.9-27.6000112.5
203Y33.1Very low37.4Very low182 Ų182129.8 Ų129.871%0.71479%0.793SS**  cis-156.5-166.70.1-156.5-135000111.2
204H33.4Very low37.1Very low162 Ų162124.3 Ų124.375%0.7578%0.782SS**  trans76.2157.7163.7-76.9-70.7000120
205L35.8Very low37Very low124 Ų124125.7 Ų125.765%0.64978%0.779SS**  -165.9155.6-96.6-166.580.2000110.3
206Q33.4Very low36.9Very low170 Ų170126.7 Ų126.779%0.79478%0.78SS**  trans66.9151.4168.4-119.872.8-30.300116.9
207G30.7Very low36.7Very low55 Ų55125.5 Ų125.557%0.56778%0.784SS**  cis142.5119.4-17.300000114.7
208S35.8Very low36.4Very low137 Ų137120.8 Ų120.896%0.95878%0.784SS**  trans62.7161.9173.969.50000117.2
209G30.7Very low36.1Very low62 Ų62118.4 Ų118.464%0.63979%0.787SS**  cis165.4161.6-9.600000113.4
210S32.6Very low35.3Very low134 Ų134115.9 Ų115.994%0.93779%0.785SS**  trans72.2152.617172.60000120.6
211G30.6Very low35.3Very low66 Ų66116 Ų11668%0.6878%0.779SS**  trans-116.6-140.7169.600000110.4
212P57Low35.5Very low133 Ų133116 Ų11686%0.86477%0.774SS**  cis-134.3-149.44.143.9-25000113.1
213A33.7Very low35Very low94 Ų94117 Ų11778%0.77778%0.78SS**  trans103146.5166.200000117.9
214N34.3Very low35.1Very low129 Ų129111.3 Ų111.369%0.6978%0.778SS**  cis-165.5139.4-36-144.47.1000111.5
215H35.1Very low35.1Very low166 Ų166115.6 Ų115.677%0.76979%0.787SS**  trans58.3155.1165.8-60.9-56.8000118.9
216A32.4Very low36Very low99 Ų99116.1 Ų116.182%0.81880%0.798SS**  cis-162161.9-20.600000109.6
217G32.3Very low36.1Very low78 Ų78116.3 Ų116.380%0.80480%0.799SS**  trans153.8112.7162.800000117
218G30.1Very low36.2Very low91 Ų91117.6 Ų117.694%0.93880%0.804SS**  trans66.7118.7152.200000119
219A34.3Very low36Very low110 Ų110116.2 Ų116.291%0.90980%0.795SS**  trans-125.5148.4173.200000112.5
220G32.1Very low36.3Very low79 Ų79117.7 Ų117.781%0.81480%0.801SS**  trans102.4146.3174.800000114.1
221A34Very low36.2Very low75 Ų75118.6 Ų118.662%0.6280%0.795SS**  cis-159.6155.5-13.700000109.6
222H41.8Very low36.5Very low173 Ų173120.5 Ų120.580%0.80180%0.798SS**  trans42.2140162.761.2-109.4000121.4
223P42.4Very low36Very low137 Ų137119.5 Ų119.589%0.8979%0.791SS**  trans-124.2118.3145.433.9-23.2000111.7
224G34Very low36.8Very low64 Ų64121.3 Ų121.366%0.6680%0.795SS**  trans-110.3132.4162.700000109.8
225W34.6Very low37.1Very low252 Ų252126.8 Ų126.896%0.95581%0.808SS**  trans55.2121.5169.4-61.3-7.2000118.8
226P53.3Low37Very low134 Ų134122.2 Ų122.287%0.8781%0.805SS**  trans-85.5130.8157.633.2-29.5000111.3
227Q37Very low36.9Very low175 Ų175121.4 Ų121.482%0.81881%0.807SS**  trans-135.7132.1165.1-119.5-72.3-87.600108.9
228A33.3Very low36.8Very low82 Ų82121.8 Ų121.868%0.67881%0.811SS**  trans-147.7134.1170.500000106.4
229S31.1Very low36.9Very low108 Ų108121.3 Ų121.376%0.75581%0.806SS**  cis97.3101.834-66.20000113.3
230A36.2Very low36.8Very low93 Ų93120.1 Ų120.177%0.76981%0.805SS**  trans69.8159.514200000118.9
231D30Very low37Very low153 Ų153121.5 Ų121.582%0.81881%0.808SS**  cis-143.1-1775.6-141.3-46.3000112.5
232S37.5Very low37Very low106 Ų106123.1 Ų123.174%0.74182%0.821SS**  trans-123.2-146.1-175.5-52.10000113.3
233P47.3Very low36.6Very low111 Ų111118.8 Ų118.872%0.72182%0.824SS**  trans-107.9165.4-143.523.8-0.5000115.5
234P49.7Very low36.3Very low132 Ų132118.3 Ų118.386%0.85782%0.824SS**  trans-73159176.131.5-36.1000113.2
235Y40Very low36.2Very low244 Ų244119.1 Ų119.196%0.95783%0.832SS**  trans-132.9155-172.2-152.2-86.7000112.3
236G32.8Very low36.5Very low70 Ų70112.1 Ų112.172%0.72283%0.828SS**  trans108.1146.1172.500000114.1
237G31.6Very low35.6Very low82 Ų82110.7 Ų110.785%0.84583%0.827SS**  cis169.8161.5-4.700000112.1
238G29.8Very low35.4Very low87 Ų87105.6 Ų105.690%0.89782%0.822SS**  trans108.3153.7-179.800000113.5
239G32.4Very low36.2Very low81 Ų81108 Ų10884%0.83583%0.831SS**  trans-161.6169.6-17900000113.8
240G31.9Very low36.1Very low85 Ų85106.8 Ų106.888%0.87684%0.836SS**  trans78.8101.1162.700000117.5
241A35.5Very low35.9Very low108 Ų108106 Ų10689%0.89384%0.837SS**  trans-156.6156.4143.500000111.7
242A34.3Very low36Very low108 Ų108103.9 Ų103.989%0.89384%0.84SS**  trans-53.5156.2-169.600000118.3
243G32.7Very low35.7Very low83 Ų83102.3 Ų102.386%0.85684%0.84SS**  trans-170.470.8172.700000112.7
244S36.5Very low35.1Very low126 Ų126102.7 Ų102.788%0.88185%0.846SS**  trans-83137.6-175.954.70000113.7
245G31.7Very low34.2Very low81 Ų81101.4 Ų101.484%0.83585%0.846SS**  trans-175.1119.216700000113.2
246A42.3Very low33.9Very low105 Ų10594.4 Ų94.487%0.86884%0.839SS**  trans-138109.417600000110.5
247A34.9Very low33.9Very low104 Ų10496 Ų9686%0.8685%0.846SS**  trans-163.6149.8168.600000110.3
248G31.3Very low34Very low69 Ų69100.5 Ų100.571%0.71184%0.844SS**  trans-107.3-162.4151.900000109.6
249P49.8Very low34.1Very low132 Ų132102.9 Ų102.986%0.85784%0.841SS**  cis-133.7164.9-1.240.6-25.5000115.5
250G30.5Very low34.3Very low83 Ų83104.3 Ų104.386%0.85684%0.838SS**  trans83.2162.5149.700000119.3
251G30.4Very low34.4Very low77 Ų77105.2 Ų105.279%0.79484%0.837SS**  trans109.779.5152.600000119.8
252A33.8Very low34.4Very low108 Ų108111.2 Ų111.289%0.89384%0.837SS**  trans60.2125.8143.800000122.7
253G31.2Very low34.5Very low72 Ų72116 Ų11674%0.74284%0.838SS**  trans89.3143.5156.800000116.3
254S33.3Very low34.8Very low120 Ų120117.8 Ų117.884%0.83983%0.834SS**  cis-157.3153.5-9.9-84.70000110.6
255A30.9Very low34.7Very low104 Ų104122.4 Ų122.486%0.8683%0.834SS**  trans53.198.1159.700000120.2
256A34.4Very low34.9Very low98 Ų98123.7 Ų123.781%0.8183%0.83SS**  trans-157.2122139.800000110.1
257A32Very low35.1Very low104 Ų104124.5 Ų124.586%0.8683%0.827SS**  trans-88.7131.8-177.900000112.1
258H35.2Very low35.2Very low176 Ų176125 Ų12582%0.81582%0.824SS**  trans-137.9107.715955.2-88.8000109.8
259V31.5Very low36Very low136 Ų136127.5 Ų127.582%0.82483%0.827SS**  trans-81.7146.1177.4172.70000109.6
260S37.1Very low35.8Very low111 Ų111127 Ų12778%0.77682%0.824SS**  trans-140.4163.3166.1-86.40000110.7
261A33.5Very low36Very low104 Ų104132.2 Ų132.286%0.8683%0.829SS**SBendtrans81.9162.5176.200000118.4
262R34.8Very low36.1Very low234 Ų234132.6 Ų132.688%0.88382%0.824SS**  trans-59.9155.3-170.1-58.3164.2173.5179.7-4.2113.6P264R262-P264 VanDerWaalsContact O-CD 3.24Å; R262-P264 WeakPolarHBondContact O-CD 3.24Å
263F36Very low36Very low210 Ų210135.5 Ų135.592%0.92183%0.825SS**  trans-52.3122.2163.2-73.2-86.1000112.6
264P39.8Very low36.1Very low120 Ų120135.7 Ų135.778%0.77983%0.827SS**  trans-91.5-179156.28.913.3000110.3R262R262-P264 VanDerWaalsContact O-CD 3.24Å; R262-P264 WeakPolarHBondContact O-CD 3.24Å
265Y34.5Very low36Very low223 Ų223134.9 Ų134.988%0.87583%0.828SS**  trans-119152.7178.7-124.4-86.4000111.4
266S34.8Very low36Very low108 Ų108134.3 Ų134.376%0.75582%0.823SS**  trans68.4162.8167.2-670000116.6
267P46.5Very low36.1Very low122 Ų122141.6 Ų141.679%0.79283%0.829SS**  cis-124.2178.19.442.6-28.7000116.3
268S38Very low36.2Very low115 Ų115145.2 Ų145.280%0.80483%0.828SS**  trans-97.9147.3172.4-49.20000112.5
269P47.4Very low36.5Very low120 Ų120142.3 Ų142.378%0.77983%0.825SS**  trans-91.1167.3161.335.3-30.8000112.4
270P47.3Very low36.5Very low121 Ų121139.7 Ų139.779%0.78683%0.826SS**  trans-111.8166.7-156.240.8-34.9000116.1
271M33.5Very low36.3Very low194 Ų194137.6 Ų137.696%0.95682%0.822SS**  trans-138.7133.9148.5-89.1-174.5173.300110.9
272A33.2Very low36.4Very low85 Ų85143.4 Ų143.470%0.70282%0.823SS**  trans-96170.7164.400000108.5
273N32.1Very low36.4Very low168 Ų168136.6 Ų136.690%0.89882%0.817SS**  cis-137.9156.618.5-86.2-64.1000112
274G31.6Very low36.3Very low77 Ų77131.4 Ų131.479%0.79481%0.813SS**  trans-152.3115.1162.100000108.6
275A32.3Very low35.9Very low103 Ų103130.9 Ų130.985%0.85182%0.819SS**  trans-88.4129.7-159.700000114.8
276A31.3Very low35.6Very low92 Ų92123.2 Ų123.276%0.7681%0.807SS**  trans24125.8148.100000121.1
277R36Very low35.6Very low250 Ų250124.7 Ų124.794%0.94382%0.818SS**  -151149.4118.6-111.8165.6-177.91641.2111.9
278E32.9Very low34.9Very low180 Ų180122.7 Ų122.784%0.84182%0.819SS**  trans-90175-166.7-89-73.995.300113.5
279P43Very low34.7Very low115 Ų115121 Ų12175%0.74782%0.82SS**  trans-117.1-179.2-140.944.7-40000116.6
280G31.4Very low34.2Very low81 Ų81120.4 Ų120.484%0.83583%0.825SS**  trans159.9145.6166.400000110.5
281G31.6Very low33.7Very low67 Ų67118.8 Ų118.869%0.69183%0.831SS**  cis-168.5175.5-2.800000111.4
282Y35.3Very low33.8Very low226 Ų226112.8 Ų112.889%0.88682%0.818SS**  trans-37.9157.3176.455.7-86.4000117.4
283A34.8Very low34.1Very low91 Ų91115.5 Ų115.575%0.75283%0.826SS**  trans-92.9173.1173.200000113.4
284A35.1Very low34.4Very low102 Ų102112.9 Ų112.984%0.84382%0.821SS**  trans82.687.2161.200000120.1
285A32Very low34.5Very low109 Ų109113.2 Ų113.290%0.90182%0.824SS**  trans-164.2152.4136.200000108.1
286G28.3Very low34.5Very low62 Ų62112.4 Ų112.464%0.63983%0.826SS**  cis164150.9-800000111.4
287S33.3Very low34.6Very low139 Ų139111.9 Ų111.997%0.97283%0.83SS**  trans68.5152.7171.579.10000119.8
288G32.5Very low34.7Very low79 Ų79105.5 Ų105.581%0.81482%0.823SS**  trans126.995.5155.300000118.6
289G33.7Very low35Very low80 Ų80102.3 Ų102.383%0.82582%0.82SS**  trans77.8121.1161.600000116.5
290A37.1Very low34.6Very low107 Ų107105.2 Ų105.288%0.88483%0.829SS**  cis110.3112.215.400000113.5
291G36.4Very low34.7Very low88 Ų88105.7 Ų105.791%0.90783%0.825SS**  trans81.2134.5174.900000115.3
292G35.9Very low35Very low68 Ų68107.4 Ų107.470%0.70183%0.833SS**  cis150142.8-9.800000112.7
293V39.3Very low35Very low142 Ų142105.9 Ų105.986%0.86184%0.836SS**  trans49.1137.5155.867.30000120.1
294S37.8Very low34.9Very low113 Ų113105.3 Ų105.379%0.7984%0.839SS**  cis-170.9145.9-29.8-90.70000108
295G34.3Very low34.6Very low84 Ų84103.6 Ų103.687%0.86683%0.831SS**  trans75.1162171.900000115.1
296G33Very low34.7Very low86 Ų86110.4 Ų110.489%0.88783%0.833SS**  cis126.1112.4-0.900000111.9
297G33.7Very low34.8Very low81 Ų81116 Ų11684%0.83584%0.843SS**  trans168.3125.9178.700000111.9
298S38Very low35.3Very low116 Ų116114 Ų11481%0.81183%0.827SS**  trans-86.7154.3-179-58.30000112.4
299S39.4Very low35.3Very low112 Ų112118.6 Ų118.678%0.78383%0.827SS**  trans28.6129.9143.7-50.20000120.2
300L34.7Very low34.9Very low177 Ų177124.9 Ų124.993%0.92783%0.827SS**  -171.8170112.4-100.6163000114.4
301A33Very low34.6Very low90 Ų90123.8 Ų123.874%0.74481%0.814SS**  trans-49.2155.6-168.500000120
302A38Very low34.3Very low104 Ų104124.8 Ų124.886%0.8681%0.806SS**  trans-142.1147140.300000109.7
303M34.8Very low34.2Very low194 Ų194129.8 Ų129.896%0.95682%0.816SS**  trans-120.9151.1-178-94.3-92.9-78.600111
304G32.6Very low33.9Very low78 Ų78128.1 Ų128.180%0.80481%0.811SS**  trans114.5145.4171.700000113.7
305G29.6Very low33.8Very low67 Ų67127.4 Ų127.469%0.69181%0.812SS**  cis142.8132.1-6.600000113
306R34.4Very low33.8Very low251 Ų251127.9 Ų127.995%0.94781%0.808SS**  trans75.4118.5173.193.9-153.2164.4166.5-2.7118.9
307E29.1Very low33.9Very low179 Ų179134 Ų13484%0.83680%0.804SS**  trans-66.6173.5146.7-136.2159.283.200108.5
308P44.9Very low34.8Very low98 Ų98135.2 Ų135.264%0.63680%0.797SS**  cis-149-16917.845.4-24.4000119.2
309Q30.8Very low34.8Very low176 Ų176135.9 Ų135.982%0.82279%0.791SS**  trans90136.8151.2-76.9173-17.100122.4
310Y26.6Very low34.4Very low211 Ų211137.9 Ų137.983%0.82779%0.793SS**  trans87.390.2147.9-115-95.6000123.6
311S29.8Very low34.3Very low85 Ų85132.5 Ų132.559%0.59478%0.78SS**  39.8117.2123-50.10000123.9
312S30.9Very low34.3Very low108 Ų108134.2 Ų134.276%0.75578%0.781SS**  81.4123.8123.1-58.10000123.2
313L34.3Very low33.9Very low174 Ų174139.4 Ų139.491%0.91178%0.78SS**  trans-138.6161.8153.1-75.2171.5000109.5
314S32.3Very low33.9Very low106 Ų106138 Ų13874%0.74177%0.771SS**  177.1106.6-62.7-91.50000110.7
315A35.3Very low33.8Very low98 Ų98141.7 Ų141.781%0.8177%0.767SS**  trans-161.79616500000109
316A35.7Very low34Very low95 Ų95145.5 Ų145.579%0.78577%0.766SS**  70.695.985.200000112.8
317R34.7Very low33.9Very low213 Ų213140.8 Ų140.880%0.80476%0.755SS**  88.4151.175.6-92.1-168.6162.7-156.3-5.3112.9
318P51.9Low34.2Very low108 Ų108139.9 Ų139.970%0.70175%0.751SS**  cis-121.3156.42930.4-9.1000116.2
319L37.9Very low33.5Very low130 Ų130143 Ų14368%0.68176%0.756SS**  58.6137.3105.5-49.3170000115.3
320N31.9Very low33.9Very low154 Ų154141.8 Ų141.882%0.82475%0.75SS**  cis-155.9139.915.8-175.629.5000113.8
321G31.2Very low34.2Very low63 Ų63140 Ų14065%0.64975%0.749SS**  trans66.7168.4159.300000120.1
322T33.8Very low34.5Very low126 Ų126144 Ų14477%0.77376%0.758SS**  cis-162.4114.3-21.9-79.90000110.4
323Y30.1Very low34.8Very low214 Ų214146.8 Ų146.884%0.83976%0.759SS**  trans58.7155.3158.4-87.4-97.1000123.8
324H33.9Very low35.5Very low165 Ų165143.3 Ų143.376%0.76475%0.747SS**  trans72.592.8161.1-80.896.3000122.9
325H31.7Very low35.4Very low154 Ų154143.6 Ų143.671%0.71375%0.749SS**  55.7126.5114.5-147.872.1000122.9
326H33.3Very low36.2Very low147 Ų147144 Ų14468%0.68174%0.743SS**  trans82.9131149.4-106.120.9000122.9
327H32.1Very low36.2Very low152 Ų152150.6 Ų150.670%0.70475%0.749SS**  trans45.4127.4150.8-88.3-84.7000124.2
328H34.5Very low36.3Very low161 Ų161144.9 Ų144.975%0.74574%0.742SS**  trans17.8125.5139.7-86.7-99000118.2
329H31.8Very low36.3Very low163 Ų163145 Ų14576%0.75574%0.742SS**  -170.8179.469.4-140-89.3000114.2
330H39Very low36.6Very low150 Ų150149.3 Ų149.369%0.69475%0.751SS**  trans-64.1146.1178.6-78.1-105000117.6
331H32.9Very low37.2Very low174 Ų174148.2 Ų148.281%0.80675%0.75SS**  trans-147.3141.4134.2-90-94.5000106.8
332H35.7Very low37.3Very low168 Ų168148.4 Ų148.478%0.77875%0.752SS**  cis77.6134.641.2-87.3-65.4000116.5
333H37.1Very low37.6Very low168 Ų168147.3 Ų147.378%0.77876%0.755SS**  trans122.1154.9167.1-80.8-102.1000114.5
334P49.5Very low38.4Very low101 Ų101142.8 Ų142.866%0.65675%0.752SS**  cis-145.7170.9-43.840.1-23.5000116.7
335S30.2Very low38.5Very low112 Ų112142.8 Ų142.878%0.78376%0.757SS**  trans67.9170.3145.9-90.90000120.6
336P51.8Low38.8Very low106 Ų106141.9 Ų141.969%0.68876%0.763SS**  cis-134.9139.8-22.231.1-12.6000115.2
337Y35.9Very low39.4Very low234 Ų234140.5 Ų140.592%0.91877%0.767SS**  -167.5170.6124.6-130.2-104.7000112.4
338S35.5Very low39.5Very low93 Ų93137.6 Ų137.665%0.6577%0.769SS**  trans-164.4-179.3-170.2-165.40000108.7
339P53.5Low39.8Very low110 Ų110141.7 Ų141.771%0.71478%0.778SS**  -113.8179.6-57.234.8-23.3000111.4
340Y42.4Very low40.3Very low221 Ų221140.3 Ų140.387%0.86778%0.783SS**  trans-145.6162.1140.8-140.2-107.7000112.1
341V45.5Very low40.4Very low130 Ų130137.7 Ų137.779%0.78879%0.788SS**  trans-76.3160.5-171-61.90000113.1
342G33.9Very low40.6Very low67 Ų67132.7 Ų132.769%0.69178%0.783SS**  cis156.1158.6-7.800000113
343A38.6Very low41.2Very low103 Ų103129.7 Ų129.785%0.85178%0.779SS**  trans70.2168.8175.100000116.3
344P47.8Very low41Very low119 Ų119130.2 Ų130.277%0.77378%0.779SS**  trans-115.7-148.9-139.144-35.3000114.7
345L35.6Very low40.2Very low166 Ų166133 Ų13387%0.86978%0.783SS**  trans99103.6-179.7-55174.8000115.4
346T38.5Very low40.5Very low135 Ų135134 Ų13483%0.82879%0.785SS**  trans-95.9168.3148.853.80000107.9
347P44.5Very low40.5Very low118 Ų118134.3 Ų134.377%0.76679%0.787SS**  cis-142.7-161.419.344.9-25.3000115.9
348A34.4Very low40.6Very low90 Ų90128.9 Ų128.974%0.74478%0.778SS**  trans86.2145154.900000119.2
349W41.9Very low41.1Very low248 Ų248132.4 Ų132.494%0.93979%0.789SS**  trans-96.5143.1175.9-67.353.8000109.4A351W349-A351 PolarHBondContact O-N 3.5Å
350P41.4Very low40.3Very low133 Ų133135.2 Ų135.286%0.86479%0.792SS**  trans-77.59916731.3-31.7000110.3
351A40.6Very low39.8Very low96 Ų96129.2 Ų129.279%0.79378%0.782SS**PPolyproline II helixtrans-75.8147.215300000108.9W349W349-A351 PolarHBondContact O-N 3.5Å
352G37.7Very low39.8Very low69 Ų69131.2 Ų131.271%0.71179%0.787SS**PPolyproline II helixtrans-69.5157-172.500000114.7
353P49.4Very low39.9Very low105 Ų105136.7 Ų136.768%0.68280%0.795SS**PPolyproline II helixtrans-68.9159.2172.234.5-38000110.7
354F32.8Very low39.8Very low178 Ų178137.3 Ų137.378%0.78179%0.793SS**  cis-148.6160.242-90.8-85.1000114.7
355E32.6Very low39.2Very low159 Ų159143.7 Ų143.774%0.74380%0.802SS**  trans53.686.1159-56.9-47.394.300120.7
356T36.6Very low39.3Very low134 Ų134140.8 Ų140.882%0.82280%0.802SS**  trans-83.3147.6133.2370000108.8
357P50.8Low39Very low112 Ų112138 Ų13873%0.72780%0.799SS**  -149-177.273.243.8-24.9000114
358V37.9Very low38.7Very low120 Ų120137.2 Ų137.273%0.72780%0.803SS**  cis-132.6143.76-172.90000109
359L47.5Very low39.4Very low168 Ų168138.6 Ų138.688%0.8880%0.804SS**  trans-99.5123.2167.1-86.6171.1000111.5
360H35.3Very low39.2Very low169 Ų169134.6 Ų134.678%0.78280%0.801SS**  trans-161.3140.8161.6-89.5-63.2000108.4
361S32.9Very low39.4Very low95 Ų95133.9 Ų133.966%0.66480%0.796SS**  cis-157.5161-15.1-115.30000108.1Q363S361-Q363 PolarHBondContact O-N 3.05Å
362L44.8Very low39.7Very low171 Ų171135.3 Ų135.390%0.89579%0.794SS**  trans-69.2111.7170.8-76.9166.6000110.8
363Q35.4Very low40.2Very low183 Ų183137.6 Ų137.686%0.85580%0.797SS**  trans-150.2142.1164.7-138.974.170.800112.3S361S361-Q363 PolarHBondContact O-N 3.05Å
364S38Very low40.1Very low115 Ų115144.5 Ų144.580%0.80481%0.809SS**  trans-92128-165.2-41.20000114.2
365R33.4Very low40.6Very low254 Ų254138.9 Ų138.996%0.95880%0.802SS**  trans-164.1161.7138.8-118.3174.3174.6179.9-3.1113.4
366A38Very low41.3Very low105 Ų105137 Ų13787%0.86880%0.803SS**  trans-82.9158.7-174.500000113.4
367G32.1Very low41.7Very low75 Ų75134.4 Ų134.477%0.77379%0.79SS**  trans173.768.5172.700000118.8
368A38.4Very low41.6Very low102 Ų102133 Ų13384%0.84379%0.788SS**  trans64.5166.7157.700000118.6
369P49.4Very low42Very low120 Ų120133.3 Ų133.378%0.77979%0.786SS**  trans-109.4156.7-164.139.5-32.2000115.5
370L38.5Very low42.2Very low164 Ų164131.1 Ų131.186%0.85978%0.775SS**  trans-125.9155.6160.7-77.2178.6000110.2V372L370-V372 PolarHBondContact O-N 2.93Å
371P45.1Very low42.9Very low118 Ų118129.2 Ų129.277%0.76677%0.769SS**PPolyproline II helixtrans-80.3122.6-152.428.7-35.2000114.2P373P371-P373 WeakPolarHBondContact O-CD 3.39Å
372V46.4Very low43.7Very low125 Ų125131 Ų13176%0.75877%0.767SS**PPolyproline II helixtrans-66.6125.8164.9-178.90000109.2L370 R374L370-V372 PolarHBondContact O-N 2.93Å; V372-R374 PolarHBondContact O-N 2.97Å; V372-R374 VanDerWaalsContact O-N 3.17Å
373P48.2Very low44Very low117 Ų117127.5 Ų127.576%0.7675%0.749SS**PPolyproline II helixtrans-60.2118.2166.7-20.433000109P371 G375P371-P373 WeakPolarHBondContact O-CD 3.39Å; P373-G375 PolarHBondContact O-N 3.1Å
374R47.6Very low44.9Very low250 Ų250124.5 Ų124.594%0.94374%0.738SS**  trans-59.7108.6178.4-82.6179.7157.783.9-3.2109.3V372V372-R374 PolarHBondContact O-N 2.97Å; V372-R374 VanDerWaalsContact O-N 3.17Å
375G44.2Very low45.9Very low61 Ų61122.3 Ų122.363%0.62972%0.723SS**PPolyproline II helixtrans-63.7151.2174.100000111.5P373P373-G375 PolarHBondContact O-N 3.1Å
376P47.1Very low47.2Very low120 Ų120115.6 Ų115.678%0.77970%0.703SS**PPolyproline II helixtrans-63147.517228.3-34.2000110.7
377S43.7Very low48.8Very low78 Ų78114 Ų11455%0.54569%0.685SS.*PPolyproline II helixtrans-57.6155.1-163.9-40.80000116D379 L380S377-D379 WeakPolarHBondContact CB-OD2 3.3Å; S377-D379 PolarHBondContact O-N 3.38Å; S377-D379 VanDerWaalsContact O-N 3.12Å; S377-L380 PolarHBondContact O-N 3.07Å
378A49.3Very low51.5Low83 Ų83114.5 Ų114.569%0.68666%0.664SS**THydrogen-bonded Turntrans-57.9-22.2172.900000113.6L380 L381A378-L380 PolarHBondContact O-N 3.08Å; A378-L380 VanDerWaalsContact O-N 3.11Å; A378-L381 WeakPolarHBondContact O-CB 3.43Å; A378-L381 PolarHBondContact O-N 2.98Å
379D46.5Very low54.1Low126 Ų126114.9 Ų114.967%0.67465%0.648SS**Hα-helixtrans-54.9-28.2178.3-51.9-85.5000114S377 L381S377-D379 WeakPolarHBondContact CB-OD2 3.3Å; S377-D379 PolarHBondContact O-N 3.38Å; S377-D379 VanDerWaalsContact O-N 3.12Å; D379-L381 VanDerWaalsContact C-N 3.32Å
380L51.6Low56.2Low123 Ų123109.2 Ų109.264%0.64461%0.611SS**Hα-helixtrans-76.1-16175.9-81.2172.3000114S377 A378S377-L380 PolarHBondContact O-N 3.07Å; A378-L380 PolarHBondContact O-N 3.08Å; A378-L380 VanDerWaalsContact O-N 3.11Å
381L50Low58.8Low128 Ų128105.4 Ų105.467%0.6760%0.595SS**Hα-helixtrans-81.7-31.5174.8-168.263.1000111.4A378 D379A378-L381 WeakPolarHBondContact O-CB 3.43Å; A378-L381 PolarHBondContact O-N 2.98Å; D379-L381 VanDerWaalsContact C-N 3.32Å
382E50.6Low60.9Low133 Ų133101.9 Ų101.962%0.62157%0.569SS**Hα-helixtrans-67.8-47.4-179.6-148.781.215000111.5L384 S385 E386E382-L384 VanDerWaalsContact C-N 3.26Å; E382-L384 PolarHBondContact O-N 3.2Å; E382-S385 WeakPolarHBondContact O-CA 3.27Å; E382-S385 WeakPolarHBondContact O-CB 3.49Å; E382-S385 PolarHBondContact O-N 2.89Å; E382-S385 PolarHBondContact O-OG 3.34Å; E382-E386 PolarHBondContact O-N 3.35Å
383D49.7Very low63Low97 Ų9796.6 Ų96.652%0.51954%0.538SS..Hα-helixtrans-63.3-28.6-179.4-168.978.7000113.1S385 E386 S387D383-S385 VanDerWaalsContact C-N 3.32Å; D383-E386 PolarHBondContact O-N 2.91Å; D383-S387 WeakPolarHBondContact O-CB 3.33Å; D383-S387 PolarHBondContact O-N 2.96Å; D383-S387 VanDerWaalsContact O-N 3.1Å; D383-S387 PolarHBondContact O-OG 2.87Å
384L55Low65Low120 Ų12092.1 Ų92.163%0.62851%0.513SS*.Hα-helixtrans-68.9-28.3171.4-78.8169.7000112.9E382E382-L384 VanDerWaalsContact C-N 3.26Å; E382-L384 PolarHBondContact O-N 3.2Å
385S58.5Low67.1Low69 Ų6982.2 Ų82.248%0.48348%0.482SS..Hα-helixtrans-77.6-42173.585.30000111.5E382 D383 S387 R388E382-S385 WeakPolarHBondContact O-CA 3.27Å; E382-S385 WeakPolarHBondContact O-CB 3.49Å; E382-S385 PolarHBondContact O-N 2.89Å; E382-S385 PolarHBondContact O-OG 3.34Å; D383-S385 VanDerWaalsContact C-N 3.32Å; S385-S387 PolarHBondContact O-N 2.96Å; S385-R388 PolarHBondContact O-N 3.2Å
386E61.7Low69.3Low113 Ų11383.4 Ų83.453%0.52847%0.473SS..Hα-helixtrans-59-28.4175.5-151.976.6-108.600112.1E382 D383 R388E382-E386 PolarHBondContact O-N 3.35Å; D383-E386 PolarHBondContact O-N 2.91Å; E386-R388 PolarHBondContact O-N 2.94Å
387S72.2Confident71.4Confident72 Ų7285.6 Ų85.650%0.50347%0.473SS..THydrogen-bonded Turntrans-75.79.2-179.9-69.10000115.5D383 S385D383-S387 WeakPolarHBondContact O-CB 3.33Å; D383-S387 PolarHBondContact O-N 2.96Å; D383-S387 VanDerWaalsContact O-N 3.1Å; D383-S387 PolarHBondContact O-OG 2.87Å; S385-S387 PolarHBondContact O-N 2.96Å
388R87.9Confident73.6Confident86 Ų8683.2 Ų83.233%0.32546%0.455SS..  trans-126.286.2-179.2-157127.2-65.4160.68.7112.7S385 E386 W401 Y409S385-R388 PolarHBondContact O-N 3.2Å; E386-R388 PolarHBondContact O-N 2.94Å; R388-W401 HydrophobicContact CB-CH2 4.43Å; R388-W401 HydrophobicContact CB-CZ2 3.99Å; R388-W401 HydrophobicContact CG-CD2 3.91Å; R388-W401 HydrophobicContact CG-CE3 4.15Å; R388-W401 HydrophobicContact CG-CH2 3.93Å; R388-W401 HydrophobicContact CG-CZ2 3.67Å; R388-W401 HydrophobicContact CG-CZ3 4.16Å; R388-W401 WeakPolarHBondContact O-CH2 3.36Å; R388-W401 WeakPolarHBondContact O-CZ2 3.31Å; R388-Y409 HydrophobicContact CG-CD1 4.11Å; R388-Y409 HydrophobicContact CG-CD2 4.41Å; R388-Y409 HydrophobicContact CG-CG 3.97Å
389E93.1Very high75.6Confident109 Ų10985.2 Ų85.251%0.50946%0.461SS..  trans-95.4145.2168.764.8170.7-164.300112.9V391 I396E389-V391 PolarHBondContact O-N 3.02Å; E389-I396 HydrophobicContact CB-CG2 4.14Å
390C93.9Very high77.8Confident1 Ų183.3 Ų83.31%0.00745%0.451CS..  trans-70.6117171.71740000111.2N392 C393 G394 S395 W401 Y409 C411C390-N392 PolarHBondContact O-N 3.36Å; C390-C393 PolarHBondContact O-N 3.27Å; C390-C393 VanDerWaalsContact O-N 3.11Å; C390-C393 PolarHBondContact SG-SG 2.83Å; C390-G394 PolarHBondContact O-N 3.23Å; C390-S395 PolarHBondContact N-O 2.87Å; C390-W401 HydrophobicContact CB-CH2 4.41Å; C390-W401 HydrophobicContact CB-CZ3 4.13Å; C390-Y409 WeakPolarHBondContact CA-O 3.37Å; C390-C411 HydrophobicContact CB-CB 3.87Å; C390-C411 PolarHBondContact SG-N 3.27Å
391V92.4Very high79.8Confident85 Ų8581.4 Ų81.452%0.51544%0.435SS..THydrogen-bonded Turntrans-60.5-24.3-175.4-590000114.2E389 H408 Y409 L410E389-V391 PolarHBondContact O-N 3.02Å; V391-H408 HydrophobicContact CG1-CB 4.08Å; V391-H408 HydrophobicContact CG2-CB 3.86Å; V391-Y409 PolarHBondContact N-O 3.22Å; V391-L410 HydrophobicContact CG2-CD2 3.69Å; V391-L410 HydrophobicContact CG2-CG 4.5Å
392N90.4Very high81.9Confident43 Ų4379.2 Ų79.223%0.2342%0.418CS..THydrogen-bonded Turntrans-81.2-42.3176.4175.8-85.8000113.1C390 L410 C414 R425C390-N392 PolarHBondContact O-N 3.36Å; N392-L410 HydrophobicContact CB-CD2 3.85Å; N392-C414 HydrophobicContact CB-CB 3.97Å; N392-C414 PolarHBondContact OD1-SG 3.18Å; N392-R425 PolarHBondContact ND2-N 3.18Å
393C90.2Very high84Confident15 Ų1580.1 Ų80.110%0.10142%0.415CS..THydrogen-bonded Turntrans-129.93.2-164.778.90000116.5C390 S395 C411 L427 Q431C390-C393 PolarHBondContact O-N 3.27Å; C390-C393 VanDerWaalsContact O-N 3.11Å; C390-C393 PolarHBondContact SG-SG 2.83Å; C393-S395 PolarHBondContact O-N 3.47Å; C393-S395 VanDerWaalsContact O-N 3.16Å; C393-C411 PolarHBondContact SG-SG 3.26Å; C393-L427 HydrophobicContact CB-CD1 3.79Å; C393-L427 HydrophobicContact CB-CD2 4.28Å; C393-Q431 PolarHBondContact O-NE2 3.12Å; C393-Q431 PolarHBondContact O-OE1 3.44Å; C393-Q431 VanDerWaalsContact O-OE1 3.12Å
394G89.9Confident85.9Confident23 Ų2378 Ų7824%0.23740%0.404CS..  trans6710.5177.300000115.5C390 I396C390-G394 PolarHBondContact O-N 3.23Å; G394-I396 PolarHBondContact O-N 2.88Å
395S91.1Very high87.4Confident42 Ų4276.7 Ų76.729%0.29442%0.42SS..  trans-73.4118.8176.6-1550000109.9C390 C393 Q397 W401C390-S395 PolarHBondContact N-O 2.87Å; C393-S395 PolarHBondContact O-N 3.47Å; C393-S395 VanDerWaalsContact O-N 3.16Å; S395-Q397 PolarHBondContact OG-O 2.92Å; S395-W401 WeakPolarHBondContact O-CH2 3.4Å
396I91.6Very high88.9Confident86 Ų8678.5 Ų78.544%0.44143%0.428SS..SBendtrans-81.1-24171.157.4173.5000112.6E389 G394 W401E389-I396 HydrophobicContact CB-CG2 4.14Å; G394-I396 PolarHBondContact O-N 2.88Å; I396-W401 WeakPolarHBondContact O-CZ2 3.5Å
397Q89.6Confident90.2Very high165 Ų16574.6 Ų74.677%0.77142%0.418SS*.  trans-108.1140.9175.8-155.6-179.34200110.4S395S395-Q397 PolarHBondContact OG-O 2.92Å
398T91.9Very high91.1Very high28 Ų2875.4 Ų75.417%0.17241%0.414CS..  trans-161.9145.4173.3-168.30000110.9L400 W401 C411 N412T398-L400 WeakPolarHBondContact CG2-O 3.48Å; T398-L400 PolarHBondContact O-N 2.85Å; T398-W401 HydrophobicContact CG2-CD2 3.44Å; T398-W401 VanDerWaalsContact CG2-CD2 3.44Å; T398-W401 HydrophobicContact CG2-CE3 3.84Å; T398-W401 HydrophobicContact CG2-CG 3.85Å; T398-W401 HydrophobicContact CG2-CH2 4.13Å; T398-W401 HydrophobicContact CG2-CZ2 3.76Å; T398-W401 HydrophobicContact CG2-CZ3 4.17Å; T398-C411 HydrophobicContact CG2-CB 4.13Å; T398-C411 WeakPolarHBondContact OG1-CB 3.49Å; T398-N412 PolarHBondContact OG1-N 3.26Å
399P90.9Very high91.4Very high126 Ų12674.3 Ų74.382%0.81841%0.41SS*.SBendtrans-70.7-13.4177.627.9-36.9000114.2N412P399-N412 HydrophobicContact CG-CB 4.44Å
400L92.4Very high91.5Very high85 Ų8569.7 Ų69.745%0.44539%0.388SS..SBendtrans-155.5122.9171.5178.262.5000110.5T398 N412T398-L400 WeakPolarHBondContact CG2-O 3.48Å; T398-L400 PolarHBondContact O-N 2.85Å; L400-N412 HydrophobicContact CB-CB 4.08Å; L400-N412 WeakPolarHBondContact O-CA 3.39Å; L400-N412 WeakPolarHBondContact O-CB 3.13Å; L400-N412 PolarHBondContact O-N 3.07Å
401W94.1Very high91.5Very high83 Ų8370 Ų7031%0.31439%0.39SS..EExtended strand (participates in β ladder)trans-75.6131.5168.9-75.3111.4000110.9R388 C390 S395 I396 T398R388-W401 HydrophobicContact CB-CH2 4.43Å; R388-W401 HydrophobicContact CB-CZ2 3.99Å; R388-W401 HydrophobicContact CG-CD2 3.91Å; R388-W401 HydrophobicContact CG-CE3 4.15Å; R388-W401 HydrophobicContact CG-CH2 3.93Å; R388-W401 HydrophobicContact CG-CZ2 3.67Å; R388-W401 HydrophobicContact CG-CZ3 4.16Å; R388-W401 WeakPolarHBondContact O-CH2 3.36Å; R388-W401 WeakPolarHBondContact O-CZ2 3.31Å; C390-W401 HydrophobicContact CB-CH2 4.41Å; C390-W401 HydrophobicContact CB-CZ3 4.13Å; S395-W401 WeakPolarHBondContact O-CH2 3.4Å; I396-W401 WeakPolarHBondContact O-CZ2 3.5Å; T398-W401 HydrophobicContact CG2-CD2 3.44Å; T398-W401 VanDerWaalsContact CG2-CD2 3.44Å; T398-W401 HydrophobicContact CG2-CE3 3.84Å; T398-W401 HydrophobicContact CG2-CG 3.85Å; T398-W401 HydrophobicContact CG2-CH2 4.13Å; T398-W401 HydrophobicContact CG2-CZ2 3.76Å; T398-W401 HydrophobicContact CG2-CZ3 4.17Å
402R94.2Very high91.7Very high82 Ų8267.8 Ų67.831%0.30938%0.376SS..EExtended strand (participates in β ladder)trans-115.9155.8172.7-64.1-178.3178.7-80.6-3.2109.2L410 N412R402-L410 HydrophobicContact CB-CB 4.43Å; R402-L410 PolarHBondContact N-O 3.24Å; R402-L410 PolarHBondContact O-N 3.35Å; R402-N412 VanDerWaalsContact CZ-OD1 3.28Å; R402-N412 PolarHBondContact NE-OD1 2.86Å; R402-N412 PolarHBondContact NH2-OD1 2.98Å
403R94.4Very high91.8Very high152 Ų15268 Ų6857%0.57438%0.384SS*.EExtended strand (participates in β ladder)trans-110.1148.9165.7-64-179-175.5-84.84.6109.7G407 H408 Y409R403-G407 PolarHBondContact NH1-O 3Å; R403-H408 VanDerWaalsContact CA-O 3.3Å; R403-H408 WeakPolarHBondContact CA-O 3.39Å; R403-Y409 VanDerWaalsContact CZ-CE1 3.44Å; R403-Y409 PolarHBondContact NH1-OH 3.49Å; R403-Y409 VanDerWaalsContact NH1-OH 3.08Å; R403-Y409 PolarHBondContact NH2-OH 3.18Å
404D87.9Confident91.9Very high54 Ų5467.4 Ų67.429%0.28938%0.379SS..  trans-84.5177159.663.121000110.7T406 G407 H408 L410D404-T406 PolarHBondContact O-N 3.25Å; D404-T406 VanDerWaalsContact O-N 3.1Å; D404-T406 VanDerWaalsContact OD1-C 3.26Å; D404-T406 WeakPolarHBondContact OD1-CA 3.4Å; D404-T406 PolarHBondContact OD1-N 2.98Å; D404-T406 PolarHBondContact OD1-OG1 3.19Å; D404-T406 PolarHBondContact OD2-OG1 3.38Å; D404-G407 PolarHBondContact O-N 3.23Å; D404-G407 PolarHBondContact OD1-N 2.84Å; D404-H408 PolarHBondContact N-O 3.05Å; D404-H408 IonicContact OD1-CG 3.89Å; D404-H408 PolarHBondContact OD1-N 3.3Å; D404-H408 IonicContact OD1-ND1 3.34Å; D404-H408 PolarHBondContact OD1-ND1 2.93Å; D404-H408 IonicContact OD2-CG 3.72Å; D404-H408 IonicContact OD2-ND1 3.2Å; D404-H408 PolarHBondContact OD2-ND1 2.94Å; D404-L410 HydrophobicContact CB-CD1 4.05Å
405G87.3Confident92.1Very high92 Ų9266.7 Ų66.795%0.94837%0.373SS*.THydrogen-bonded Turntrans-66.9-3.9177.200000114.8
406T89.8Confident92.2Very high106 Ų10668.8 Ų68.865%0.6538%0.38SS*.THydrogen-bonded Turntrans-109.48.2173.846.70000112.4D404 H408D404-T406 PolarHBondContact O-N 3.25Å; D404-T406 VanDerWaalsContact O-N 3.1Å; D404-T406 VanDerWaalsContact OD1-C 3.26Å; D404-T406 WeakPolarHBondContact OD1-CA 3.4Å; D404-T406 PolarHBondContact OD1-N 2.98Å; D404-T406 PolarHBondContact OD1-OG1 3.19Å; D404-T406 PolarHBondContact OD2-OG1 3.38Å; T406-H408 PolarHBondContact OG1-CE1 3.11Å; T406-H408 PolarHBondContact OG1-ND1 3.48Å
407G88.8Confident92.2Very high31 Ų3167.9 Ų67.932%0.3237%0.371SS..  trans87.3-4.7171.400000115.9R403 D404R403-G407 PolarHBondContact NH1-O 3Å; D404-G407 PolarHBondContact O-N 3.23Å; D404-G407 PolarHBondContact OD1-N 2.84Å
408H92.4Very high92.2Very high90 Ų9062.4 Ų62.442%0.41735%0.351SS..  trans-67.2148.5-176.4-56.695000112.4V391 R403 D404 T406V391-H408 HydrophobicContact CG1-CB 4.08Å; V391-H408 HydrophobicContact CG2-CB 3.86Å; R403-H408 VanDerWaalsContact CA-O 3.3Å; R403-H408 WeakPolarHBondContact CA-O 3.39Å; D404-H408 PolarHBondContact N-O 3.05Å; D404-H408 IonicContact OD1-CG 3.89Å; D404-H408 PolarHBondContact OD1-N 3.3Å; D404-H408 IonicContact OD1-ND1 3.34Å; D404-H408 PolarHBondContact OD1-ND1 2.93Å; D404-H408 IonicContact OD2-CG 3.72Å; D404-H408 IonicContact OD2-ND1 3.2Å; D404-H408 PolarHBondContact OD2-ND1 2.94Å; T406-H408 PolarHBondContact OG1-CE1 3.11Å; T406-H408 PolarHBondContact OG1-ND1 3.48Å
409Y94.1Very high92.1Very high62 Ų6270.1 Ų70.124%0.24338%0.382CS..EExtended strand (participates in β ladder)trans-79.4123.6178.2-59.7-74000111.7R388 C390 V391 R403R388-Y409 HydrophobicContact CG-CD1 4.11Å; R388-Y409 HydrophobicContact CG-CD2 4.41Å; R388-Y409 HydrophobicContact CG-CG 3.97Å; C390-Y409 WeakPolarHBondContact CA-O 3.37Å; V391-Y409 PolarHBondContact N-O 3.22Å; R403-Y409 VanDerWaalsContact CZ-CE1 3.44Å; R403-Y409 PolarHBondContact NH1-OH 3.49Å; R403-Y409 VanDerWaalsContact NH1-OH 3.08Å; R403-Y409 PolarHBondContact NH2-OH 3.18Å
410L93.7Very high91.9Very high12 Ų1271.2 Ų71.26%0.06338%0.378CS..EExtended strand (participates in β ladder)trans-121.1135.7173.6-67.4174.4000109.6V391 N392 R402 D404 C414V391-L410 HydrophobicContact CG2-CD2 3.69Å; V391-L410 HydrophobicContact CG2-CG 4.5Å; N392-L410 HydrophobicContact CB-CD2 3.85Å; R402-L410 HydrophobicContact CB-CB 4.43Å; R402-L410 PolarHBondContact N-O 3.24Å; R402-L410 PolarHBondContact O-N 3.35Å; D404-L410 HydrophobicContact CB-CD1 4.05Å; L410-C414 HydrophobicContact CD2-CB 4.32Å
411C95.3Very high91.8Very high7 Ų770.5 Ų70.55%0.04738%0.375CS..EExtended strand (participates in β ladder)trans-66.5156.9169.175.70000110.6C390 C393 T398 A413 C414 G415C390-C411 HydrophobicContact CB-CB 3.87Å; C390-C411 PolarHBondContact SG-N 3.27Å; C393-C411 PolarHBondContact SG-SG 3.26Å; T398-C411 HydrophobicContact CG2-CB 4.13Å; T398-C411 WeakPolarHBondContact OG1-CB 3.49Å; C411-A413 PolarHBondContact O-N 2.97Å; C411-A413 VanDerWaalsContact O-N 3.11Å; C411-C414 PolarHBondContact O-N 2.81Å; C411-C414 PolarHBondContact SG-SG 3.47Å; C411-G415 PolarHBondContact O-N 3.25Å
412N94.9Very high91.5Very high40 Ų4069.6 Ų69.621%0.21439%0.392CS..Hα-helixtrans-48.4-46.8-175-169.523000112.6T398 P399 L400 R402 C414 L416T398-N412 PolarHBondContact OG1-N 3.26Å; P399-N412 HydrophobicContact CG-CB 4.44Å; L400-N412 HydrophobicContact CB-CB 4.08Å; L400-N412 WeakPolarHBondContact O-CA 3.39Å; L400-N412 WeakPolarHBondContact O-CB 3.13Å; L400-N412 PolarHBondContact O-N 3.07Å; R402-N412 VanDerWaalsContact CZ-OD1 3.28Å; R402-N412 PolarHBondContact NE-OD1 2.86Å; R402-N412 PolarHBondContact NH2-OD1 2.98Å; N412-C414 PolarHBondContact O-N 3.1Å; N412-L416 WeakPolarHBondContact O-CB 3.29Å; N412-L416 VanDerWaalsContact O-CG 3.29Å; N412-L416 WeakPolarHBondContact O-CG 3.43Å; N412-L416 PolarHBondContact O-N 2.9Å; N412-L416 WeakPolarHBondContact OD1-CD1 3.48Å
413A92.7Very high91.1Very high47 Ų4770.6 Ų70.639%0.38840%0.402SS..Hα-helixtrans-66.1-34.6-179.600000114C411 Y417C411-A413 PolarHBondContact O-N 2.97Å; C411-A413 VanDerWaalsContact O-N 3.11Å; A413-Y417 VanDerWaalsContact O-CB 3.3Å; A413-Y417 WeakPolarHBondContact O-CB 3.38Å; A413-Y417 PolarHBondContact O-N 3.19Å
414C93.6Very high90.6Very high2 Ų267.5 Ų67.51%0.01440%0.404CS..Hα-helixtrans-81.8-37.4179.2-64.70000111.9N392 L410 C411 N412 S418N392-C414 HydrophobicContact CB-CB 3.97Å; N392-C414 PolarHBondContact OD1-SG 3.18Å; L410-C414 HydrophobicContact CD2-CB 4.32Å; C411-C414 PolarHBondContact O-N 2.81Å; C411-C414 PolarHBondContact SG-SG 3.47Å; N412-C414 PolarHBondContact O-N 3.1Å; C414-S418 VanDerWaalsContact O-CB 3.27Å; C414-S418 WeakPolarHBondContact O-CB 3.07Å; C414-S418 PolarHBondContact O-N 2.95Å
415G93.8Very high90.5Very high9 Ų970.1 Ų70.19%0.09341%0.41CS..Hα-helixtrans-67.6-38.7173.900000112.9C411 K419C411-G415 PolarHBondContact O-N 3.25Å; G415-K419 WeakPolarHBondContact O-CB 3.32Å; G415-K419 PolarHBondContact O-N 2.82Å
416L92.2Very high90.1Very high85 Ų8569.1 Ų69.145%0.44539%0.387SS..Hα-helixtrans-63.8-49.2172.5-76.5169.5000111.7N412 S418 K419 M420N412-L416 WeakPolarHBondContact O-CB 3.29Å; N412-L416 VanDerWaalsContact O-CG 3.29Å; N412-L416 WeakPolarHBondContact O-CG 3.43Å; N412-L416 PolarHBondContact O-N 2.9Å; N412-L416 WeakPolarHBondContact OD1-CD1 3.48Å; L416-S418 PolarHBondContact O-N 2.74Å; L416-K419 PolarHBondContact O-N 3.11Å; L416-M420 WeakPolarHBondContact O-CB 3.3Å; L416-M420 PolarHBondContact O-N 3.42Å
417Y91.7Very high89.5Confident68 Ų6867.7 Ų67.727%0.26738%0.375SS..Hα-helixtrans-60.9-45.7178.3-170-81.4000111.7A413 K419 M420 N421 L423 R425 P426A413-Y417 VanDerWaalsContact O-CB 3.3Å; A413-Y417 WeakPolarHBondContact O-CB 3.38Å; A413-Y417 PolarHBondContact O-N 3.19Å; Y417-K419 VanDerWaalsContact C-N 3.3Å; Y417-K419 PolarHBondContact O-N 3.46Å; Y417-M420 PolarHBondContact O-N 3.17Å; Y417-N421 HydrophobicContact CD1-CB 4.19Å; Y417-N421 WeakPolarHBondContact CD2-OD1 3.34Å; Y417-N421 HydrophobicContact CE1-CB 3.87Å; Y417-N421 WeakPolarHBondContact CE2-OD1 2.97Å; Y417-N421 WeakPolarHBondContact O-CB 3.39Å; Y417-N421 PolarHBondContact O-N 3.46Å; Y417-N421 PolarHBondContact O-OD1 3.35Å; Y417-L423 VanDerWaalsContact CD1-O 3.31Å; Y417-L423 WeakPolarHBondContact CD1-O 3.33Å; Y417-R425 VanDerWaalsContact CD1-CA 3.4Å; Y417-R425 HydrophobicContact CD1-CB 3.7Å; Y417-R425 HydrophobicContact CD1-CG 4.05Å; Y417-R425 HydrophobicContact CD2-CG 4.08Å; Y417-R425 HydrophobicContact CE1-CB 4.32Å; Y417-R425 HydrophobicContact CG-CB 3.87Å; Y417-R425 HydrophobicContact CG-CG 3.8Å; Y417-P426 VanDerWaalsContact CZ-CD 3.48Å; Y417-P426 WeakPolarHBondContact OH-CD 3.43Å
418S90.3Very high88.7Confident49 Ų4973.9 Ų73.934%0.34340%0.399SS..Hα-helixtrans-64.7-33.3178.9-162.60000112.8C414 L416 G422 L423C414-S418 VanDerWaalsContact O-CB 3.27Å; C414-S418 WeakPolarHBondContact O-CB 3.07Å; C414-S418 PolarHBondContact O-N 2.95Å; L416-S418 PolarHBondContact O-N 2.74Å; S418-G422 WeakPolarHBondContact O-CA 3.4Å; S418-G422 PolarHBondContact O-N 3.02Å; S418-L423 WeakPolarHBondContact CA-O 3.04Å
419K89.7Confident87.5Confident190 Ų19077.9 Ų77.983%0.82642%0.415SS*.Hα-helixtrans-74.3-36.1175.2-175.3173.1-179.3177.50112.6G415 L416 Y417G415-K419 WeakPolarHBondContact O-CB 3.32Å; G415-K419 PolarHBondContact O-N 2.82Å; L416-K419 PolarHBondContact O-N 3.11Å; Y417-K419 VanDerWaalsContact C-N 3.3Å; Y417-K419 PolarHBondContact O-N 3.46Å
420M87.1Confident85.8Confident149 Ų14980.3 Ų80.373%0.73444%0.438SS*.Hα-helixtrans-81.7-38.9-176.8-174.3175.472.400113L416 Y417L416-M420 WeakPolarHBondContact O-CB 3.3Å; L416-M420 PolarHBondContact O-N 3.42Å; Y417-M420 PolarHBondContact O-N 3.17Å
421N89.6Confident84.1Confident70 Ų7084.1 Ų84.137%0.37446%0.456SS..Hα-helixtrans-105.3-5.6-172-63.997.5000113.9Y417 L423Y417-N421 HydrophobicContact CD1-CB 4.19Å; Y417-N421 WeakPolarHBondContact CD2-OD1 3.34Å; Y417-N421 HydrophobicContact CE1-CB 3.87Å; Y417-N421 WeakPolarHBondContact CE2-OD1 2.97Å; Y417-N421 WeakPolarHBondContact O-CB 3.39Å; Y417-N421 PolarHBondContact O-N 3.46Å; Y417-N421 PolarHBondContact O-OD1 3.35Å; N421-L423 PolarHBondContact O-N 3.04Å
422G87.4Confident82.2Confident65 Ų6593.6 Ų93.667%0.6750%0.496SS*.SBendtrans63.58.7-174.600000114.6S418S418-G422 WeakPolarHBondContact O-CA 3.4Å; S418-G422 PolarHBondContact O-N 3.02Å
423L86.8Confident80.4Confident102 Ų102101 Ų10153%0.53452%0.521SS..SBendtrans-134.2147-170.2-68.4174.1000110.8Y417 S418 N421 R425Y417-L423 VanDerWaalsContact CD1-O 3.31Å; Y417-L423 WeakPolarHBondContact CD1-O 3.33Å; S418-L423 WeakPolarHBondContact CA-O 3.04Å; N421-L423 PolarHBondContact O-N 3.04Å; L423-R425 PolarHBondContact O-N 3.42Å
424S83.9Confident78.6Confident87 Ų87104.6 Ų104.661%0.60854%0.538SS*.PPolyproline II helixtrans-61.1132.9173.955.10000111.4
425R84.9Confident76.8Confident110 Ų110108.6 Ų108.642%0.41556%0.564SS.*PPolyproline II helixtrans-57.2124.6-176.5-169175.9-176.9-122.12.5111.8N392 Y417 L423 L427N392-R425 PolarHBondContact ND2-N 3.18Å; Y417-R425 VanDerWaalsContact CD1-CA 3.4Å; Y417-R425 HydrophobicContact CD1-CB 3.7Å; Y417-R425 HydrophobicContact CD1-CG 4.05Å; Y417-R425 HydrophobicContact CD2-CG 4.08Å; Y417-R425 HydrophobicContact CE1-CB 4.32Å; Y417-R425 HydrophobicContact CG-CB 3.87Å; Y417-R425 HydrophobicContact CG-CG 3.8Å; L423-R425 PolarHBondContact O-N 3.42Å; R425-L427 PolarHBondContact O-N 3.17Å
426P79.6Confident75.2Confident71 Ų71110.4 Ų110.446%0.46158%0.575SS.*PPolyproline II helixtrans-72.5120.7179.927.5-33000110.8Y417 I428Y417-P426 VanDerWaalsContact CZ-CD 3.48Å; Y417-P426 WeakPolarHBondContact OH-CD 3.43Å; P426-I428 PolarHBondContact O-N 2.9Å
427L77.8Confident73.6Confident75 Ų75110.7 Ų110.739%0.39358%0.584SS.*  trans-79.785.4177-101.863.8000110.9C393 R425 K429 Q431C393-L427 HydrophobicContact CB-CD1 3.79Å; C393-L427 HydrophobicContact CB-CD2 4.28Å; R425-L427 PolarHBondContact O-N 3.17Å; L427-K429 PolarHBondContact O-N 3.11Å; L427-Q431 HydrophobicContact CD2-CG 4.17Å
428I71.8Confident72.2Confident161 Ų161117.5 Ų117.583%0.82661%0.609SS**SBendtrans-61.4-30179.2-64.6166.2000112.1P426P426-I428 PolarHBondContact O-N 2.9Å
429K66.8Low71.1Confident175 Ų175120.8 Ų120.876%0.76161%0.614SS**SBendtrans-97.2125.3164.3-135.181.9171.5-1710107.7L427 Q431L427-K429 PolarHBondContact O-N 3.11Å; K429-Q431 PolarHBondContact O-N 3.34Å
430P57.8Low70.3Confident112 Ų112117.8 Ų117.873%0.72761%0.606SS**PPolyproline II helixtrans-62.5121.9164.227.5-32000107.1K432P430-K432 PolarHBondContact O-N 3.07Å; P430-K432 VanDerWaalsContact O-N 3.17Å
431Q58.7Low70.1Confident92 Ų92114.4 Ų114.443%0.4361%0.61SS.*PPolyproline II helixtrans-58.5126.4173-89.3-144.2-32.600108.9C393 L427 K429 R433C393-Q431 PolarHBondContact O-NE2 3.12Å; C393-Q431 PolarHBondContact O-OE1 3.44Å; C393-Q431 VanDerWaalsContact O-OE1 3.12Å; L427-Q431 HydrophobicContact CD2-CG 4.17Å; K429-Q431 PolarHBondContact O-N 3.34Å; Q431-R433 PolarHBondContact O-N 2.71Å
432K54.3Low70.2Confident206 Ų206113.8 Ų113.890%0.89661%0.606SS**  trans-60.289.5146.4-73.3-174.8178.6-177.90105.4P430 V434P430-K432 PolarHBondContact O-N 3.07Å; P430-K432 VanDerWaalsContact O-N 3.17Å; K432-V434 VanDerWaalsContact C-N 3.35Å; K432-V434 PolarHBondContact O-N 2.88Å
433R57.9Low70.6Confident197 Ų197113 Ų11374%0.74359%0.591SS**  trans-56.5105.8168.2-94.5-176.1164.2154.8-3.8105.8Q431Q431-R433 PolarHBondContact O-N 2.71Å
434V55.3Low71Confident121 Ų121108.1 Ų108.173%0.73357%0.565SS**  trans-51.9128.4172.7-124.90000106.2K432 S436K432-V434 VanDerWaalsContact C-N 3.35Å; K432-V434 PolarHBondContact O-N 2.88Å; V434-S436 VanDerWaalsContact C-N 3.27Å; V434-S436 PolarHBondContact O-N 3.16Å
435P55.7Low71.6Confident86 Ų86105.8 Ų105.856%0.55855%0.551SS**  trans-66.295.8177.226.6-32.2000107.2S437 R439P435-S437 PolarHBondContact O-N 3.36Å; P435-R439 HydrophobicContact CB-CB 4.41Å
436S60.2Low72.2Confident48 Ų48102.6 Ų102.634%0.33654%0.542SS..  trans-32.1124.2175.4174.50000110V434 R438 R439V434-S436 VanDerWaalsContact C-N 3.27Å; V434-S436 PolarHBondContact O-N 3.16Å; S436-R438 CarbonylContact O-C 3.47Å; S436-R438 PolarHBondContact O-N 3.05Å; S436-R439 WeakPolarHBondContact O-CB 3.34Å; S436-R439 PolarHBondContact O-N 3.18Å
437S58.3Low72.9Confident90 Ų9099.4 Ų99.463%0.62952%0.521SS*.G310 helixtrans-47.9-33.5-159.9-167.50000113.9P435 R439 L440P435-S437 PolarHBondContact O-N 3.36Å; S437-R439 PolarHBondContact O-N 2.91Å; S437-L440 WeakPolarHBondContact O-CB 3.46Å; S437-L440 WeakPolarHBondContact O-CG 3.33Å; S437-L440 PolarHBondContact O-N 3.12Å
438R63Low73.8Confident211 Ų211101.9 Ų101.980%0.79653%0.531SS*.G310 helixtrans-54.25.3166.8-58.3-174.6-72.2-153.6-4.2116.6S436S436-R438 CarbonylContact O-C 3.47Å; S436-R438 PolarHBondContact O-N 3.05Å
439R66.4Low74.8Confident118 Ų11895.1 Ų95.145%0.44550%0.497SS..G310 helixtrans-109.7-7.9172.8-74.7-169.5-94-91.85.9113.7P435 S436 S437 L442P435-R439 HydrophobicContact CB-CB 4.41Å; S436-R439 WeakPolarHBondContact O-CB 3.34Å; S436-R439 PolarHBondContact O-N 3.18Å; S437-R439 PolarHBondContact O-N 2.91Å; R439-L442 PolarHBondContact O-N 2.94Å
440L72.6Confident76.1Confident127 Ų12791.1 Ų91.167%0.66549%0.488SS*.THydrogen-bonded Turntrans-62.9137.9169.3-62.4171.3000109S437 L442S437-L440 WeakPolarHBondContact O-CB 3.46Å; S437-L440 WeakPolarHBondContact O-CG 3.33Å; S437-L440 PolarHBondContact O-N 3.12Å; L440-L442 VanDerWaalsContact C-N 3.26Å; L440-L442 PolarHBondContact O-N 3.32Å
441G83.6Confident77.8Confident79 Ų7989.6 Ų89.681%0.81448%0.476SS*.THydrogen-bonded Turntrans77.6-12.6-177.500000116.7S443G441-S443 PolarHBondContact O-N 3.31Å
442L91.3Very high79.4Confident56 Ų5686.9 Ų86.929%0.29347%0.466SS..  trans-71.3119.6177.7-85.363.5000110.7R439 L440 T450 W455R439-L442 PolarHBondContact O-N 2.94Å; L440-L442 VanDerWaalsContact C-N 3.26Å; L440-L442 PolarHBondContact O-N 3.32Å; L442-T450 WeakPolarHBondContact O-CA 3.18Å; L442-W455 HydrophobicContact CB-CH2 4.17Å; L442-W455 HydrophobicContact CB-CZ2 3.69Å; L442-W455 HydrophobicContact CD2-CD2 4.43Å; L442-W455 HydrophobicContact CD2-CG 4.45Å; L442-W455 WeakPolarHBondContact O-CH2 3.32Å; L442-W455 WeakPolarHBondContact O-CZ2 3.32Å
443S95.2Very high81.2Confident49 Ų4982 Ų8234%0.34345%0.453SS..  trans-124.3155.8173.175.60000111G441G441-S443 PolarHBondContact O-N 3.31Å
444C96.4Very high82.8Confident0 Ų076.8 Ų76.80%044%0.44CS..  trans-80.8119.2178.4176.50000111.5N446 C447 H448 T449 W455 P463 C465C444-N446 PolarHBondContact O-N 3.1Å; C444-N446 VanDerWaalsContact O-N 3.09Å; C444-C447 PolarHBondContact O-N 3.49Å; C444-C447 VanDerWaalsContact O-N 3.14Å; C444-H448 VanDerWaalsContact O-CA 3.24Å; C444-H448 WeakPolarHBondContact O-CA 3.39Å; C444-H448 PolarHBondContact O-N 2.77Å; C444-T449 PolarHBondContact N-O 3.47Å; C444-W455 HydrophobicContact CB-CZ3 4.17Å; C444-P463 WeakPolarHBondContact CA-O 3.43Å; C444-C465 HydrophobicContact CB-CB 3.91Å; C444-C465 PolarHBondContact SG-N 2.85Å
445A96.6Very high84.7Confident37 Ų3773.6 Ų73.631%0.30642%0.415SS..THydrogen-bonded Turntrans-50.5-38.8-179.800000113.8H448 E462 P463 V464A445-H448 PolarHBondContact O-CE1 2.85Å; A445-H448 VanDerWaalsContact O-CE1 3.27Å; A445-E462 HydrophobicContact CB-CB 4.23Å; A445-P463 PolarHBondContact N-O 2.76Å; A445-V464 HydrophobicContact CB-CG1 4.23Å
446N96.3Very high86.6Confident44 Ų4473.7 Ų73.724%0.23540%0.404CS..THydrogen-bonded Turntrans-86.6-18.9-177.9162.2-103.4000115.9C444 C468 R479 L481C444-N446 PolarHBondContact O-N 3.1Å; C444-N446 VanDerWaalsContact O-N 3.09Å; N446-C468 HydrophobicContact CB-CB 4.32Å; N446-C468 VanDerWaalsContact OD1-CB 3.28Å; N446-C468 WeakPolarHBondContact OD1-CB 3.39Å; N446-C468 PolarHBondContact OD1-SG 3.17Å; N446-R479 PolarHBondContact ND2-O 3.19Å; N446-L481 WeakPolarHBondContact O-CD2 3.09Å
447C95.8Very high88.3Confident3 Ų380.9 Ų80.92%0.0242%0.424CS..THydrogen-bonded Turntrans-145.85.1-174.579.90000116C444 T449 L481 K484C444-C447 PolarHBondContact O-N 3.49Å; C444-C447 VanDerWaalsContact O-N 3.14Å; C447-T449 PolarHBondContact O-N 3.27Å; C447-T449 PolarHBondContact O-OG1 3.37Å; C447-T449 PolarHBondContact SG-OG1 2.89Å; C447-L481 HydrophobicContact CB-CD2 4.01Å; C447-K484 PolarHBondContact O-NZ 3.34Å; C447-K484 VanDerWaalsContact O-NZ 3.16Å
448H95.3Very high90.1Very high128 Ų12878.6 Ų78.659%0.59341%0.405SS*.  trans53.510178.3-44.9-57.1000116.1C444 A445 T450C444-H448 VanDerWaalsContact O-CA 3.24Å; C444-H448 WeakPolarHBondContact O-CA 3.39Å; C444-H448 PolarHBondContact O-N 2.77Å; A445-H448 PolarHBondContact O-CE1 2.85Å; A445-H448 VanDerWaalsContact O-CE1 3.27Å; H448-T450 PolarHBondContact O-N 3.22Å
449T94.1Very high91.5Very high19 Ų1973.4 Ų73.412%0.11741%0.406CS..  trans-67122.8174-50.90000110C444 C447 T451 W455C444-T449 PolarHBondContact N-O 3.47Å; C447-T449 PolarHBondContact O-N 3.27Å; C447-T449 PolarHBondContact O-OG1 3.37Å; C447-T449 PolarHBondContact SG-OG1 2.89Å; T449-T451 VanDerWaalsContact CG2-O 3.22Å; T449-T451 WeakPolarHBondContact CG2-O 3.37Å; T449-W455 WeakPolarHBondContact O-CH2 3.5Å
450T93.7Very high92.8Very high91 Ų9174.4 Ų74.456%0.55842%0.416SS*.  trans-84.3-16.2176.252.40000113.2L442 H448 W455L442-T450 WeakPolarHBondContact O-CA 3.18Å; H448-T450 PolarHBondContact O-N 3.22Å; T450-W455 WeakPolarHBondContact O-CZ2 3.46Å
451T92.2Very high93.8Very high79 Ų7969.6 Ų69.649%0.48540%0.398SS..  trans-104.7123179.658.10000111.3T449T449-T451 VanDerWaalsContact CG2-O 3.22Å; T449-T451 WeakPolarHBondContact CG2-O 3.37Å
452T93.3Very high94.4Very high35 Ų3570.3 Ų70.322%0.21538%0.38CS..  trans-151.1156.7174.9-160.90000112.6L454 W455 C465 N466T452-L454 WeakPolarHBondContact CG2-O 3.31Å; T452-W455 HydrophobicContact CG2-CD2 3.51Å; T452-W455 HydrophobicContact CG2-CE3 3.91Å; T452-W455 HydrophobicContact CG2-CG 3.83Å; T452-W455 HydrophobicContact CG2-CH2 4.39Å; T452-W455 HydrophobicContact CG2-CZ2 4.06Å; T452-W455 HydrophobicContact CG2-CZ3 4.33Å; T452-C465 HydrophobicContact CG2-CB 4.32Å; T452-C465 WeakPolarHBondContact OG1-CB 3.36Å; T452-N466 PolarHBondContact OG1-N 3.09Å
453T91.8Very high94.6Very high103 Ų10370.2 Ų70.263%0.63238%0.383SS*.SBendtrans-78.2-22.2178.352.40000113.3I488T453-I488 HydrophobicContact CG2-CG2 3.68Å
454L93Very high94.7Very high88 Ų8868.3 Ų68.346%0.46137%0.369SS..SBendtrans-157124.8175.2172.363.8000108.7T452 R456 N466T452-L454 WeakPolarHBondContact CG2-O 3.31Å; L454-R456 HydrophobicContact CG-CG 4.43Å; L454-N466 HydrophobicContact CB-CB 4.09Å; L454-N466 WeakPolarHBondContact O-CA 3.25Å; L454-N466 VanDerWaalsContact O-CB 3.32Å; L454-N466 WeakPolarHBondContact O-CB 3.4Å; L454-N466 PolarHBondContact O-N 3.06Å
455W94.9Very high94.7Very high54 Ų5468.6 Ų68.621%0.20537%0.371CS..EExtended strand (participates in β ladder)trans-75.8139.6166.9-71.3110.9000109.8L442 C444 T449 T450 T452 P463L442-W455 HydrophobicContact CB-CH2 4.17Å; L442-W455 HydrophobicContact CB-CZ2 3.69Å; L442-W455 HydrophobicContact CD2-CD2 4.43Å; L442-W455 HydrophobicContact CD2-CG 4.45Å; L442-W455 WeakPolarHBondContact O-CH2 3.32Å; L442-W455 WeakPolarHBondContact O-CZ2 3.32Å; C444-W455 HydrophobicContact CB-CZ3 4.17Å; T449-W455 WeakPolarHBondContact O-CH2 3.5Å; T450-W455 WeakPolarHBondContact O-CZ2 3.46Å; T452-W455 HydrophobicContact CG2-CD2 3.51Å; T452-W455 HydrophobicContact CG2-CE3 3.91Å; T452-W455 HydrophobicContact CG2-CG 3.83Å; T452-W455 HydrophobicContact CG2-CH2 4.39Å; T452-W455 HydrophobicContact CG2-CZ2 4.06Å; T452-W455 HydrophobicContact CG2-CZ3 4.33Å; W455-P463 HydrophobicContact CE3-CB 4.2Å; W455-P463 HydrophobicContact CZ3-CB 4.37Å
456R95.4Very high94.7Very high89 Ų8968.5 Ų68.534%0.33637%0.365SS..EExtended strand (participates in β ladder)trans-125.3171.1174.3-65.5-178.8177.1-80.8-4.3108.7L454 V464 N466L454-R456 HydrophobicContact CG-CG 4.43Å; R456-V464 HydrophobicContact CB-CG2 3.91Å; R456-V464 PolarHBondContact N-O 3.12Å; R456-V464 PolarHBondContact O-N 3.11Å; R456-N466 PolarHBondContact NE-OD1 2.78Å; R456-N466 PolarHBondContact NH2-OD1 3.4Å
457R96.1Very high94.7Very high198 Ų19868.3 Ų68.375%0.74737%0.37SS*.EExtended strand (participates in β ladder)trans-108.6149164.3-63.1-179.2-174.9-96.98.9110.1G461 E462R457-G461 WeakPolarHBondContact CD-O 3.42Å; R457-G461 WeakPolarHBondContact CG-O 3.49Å; R457-G461 PolarHBondContact NH1-O 3.02Å; R457-E462 VanDerWaalsContact CA-O 3.25Å; R457-E462 WeakPolarHBondContact CA-O 3.33Å
458N94.5Very high94.8Very high43 Ų4368.4 Ų68.423%0.2337%0.37CS..  trans-80.7-171.2163.659.2-6.8000110.3E460 G461 E462 V464N458-E460 WeakPolarHBondContact CB-OE2 3.46Å; N458-E460 PolarHBondContact ND2-OE2 3.44Å; N458-E460 PolarHBondContact O-N 2.9Å; N458-G461 PolarHBondContact O-N 3.32Å; N458-G461 PolarHBondContact OD1-N 3.37Å; N458-G461 VanDerWaalsContact OD1-N 3.1Å; N458-E462 PolarHBondContact N-O 3.25Å; N458-E462 PolarHBondContact ND2-OE2 3.2Å; N458-E462 WeakPolarHBondContact OD1-CA 3.3Å; N458-E462 VanDerWaalsContact OD1-CB 3.31Å; N458-E462 WeakPolarHBondContact OD1-CB 3.46Å; N458-E462 PolarHBondContact OD1-N 3.37Å; N458-E462 PolarHBondContact OD1-O 3.23Å; N458-V464 HydrophobicContact CB-CG1 4.07Å
459A94Very high94.9Very high101 Ų10163 Ų6384%0.83535%0.35SS*.THydrogen-bonded Turntrans-70-27.117900000111.4G461A459-G461 VanDerWaalsContact C-N 3.25Å; A459-G461 PolarHBondContact O-N 2.77Å
460E93.4Very high95Very high139 Ų13966 Ų6665%0.6536%0.364SS*.THydrogen-bonded Turntrans-78.4-7.4179.1-53.968.7-152.200112.2N458 E462N458-E460 WeakPolarHBondContact CB-OE2 3.46Å; N458-E460 PolarHBondContact ND2-OE2 3.44Å; N458-E460 PolarHBondContact O-N 2.9Å; E460-E462 HydrophobicContact CB-CG 4.23Å; E460-E462 PolarHBondContact O-N 2.95Å
461G93.9Very high95.2Very high27 Ų2764 Ų6428%0.27835%0.347SS..  trans86.5-7.3176.400000115.8R457 N458 A459R457-G461 WeakPolarHBondContact CD-O 3.42Å; R457-G461 WeakPolarHBondContact CG-O 3.49Å; R457-G461 PolarHBondContact NH1-O 3.02Å; N458-G461 PolarHBondContact O-N 3.32Å; N458-G461 PolarHBondContact OD1-N 3.37Å; N458-G461 VanDerWaalsContact OD1-N 3.1Å; A459-G461 VanDerWaalsContact C-N 3.25Å; A459-G461 PolarHBondContact O-N 2.77Å
462E94.7Very high95.4Very high93 Ų9364.2 Ų64.244%0.43534%0.343SS..  trans-67.4153.6-179.8-50.9179.2110.500113.6A445 R457 N458 E460 V464A445-E462 HydrophobicContact CB-CB 4.23Å; R457-E462 VanDerWaalsContact CA-O 3.25Å; R457-E462 WeakPolarHBondContact CA-O 3.33Å; N458-E462 PolarHBondContact N-O 3.25Å; N458-E462 PolarHBondContact ND2-OE2 3.2Å; N458-E462 WeakPolarHBondContact OD1-CA 3.3Å; N458-E462 VanDerWaalsContact OD1-CB 3.31Å; N458-E462 WeakPolarHBondContact OD1-CB 3.46Å; N458-E462 PolarHBondContact OD1-N 3.37Å; N458-E462 PolarHBondContact OD1-O 3.23Å; E460-E462 HydrophobicContact CB-CG 4.23Å; E460-E462 PolarHBondContact O-N 2.95Å; E462-V464 PolarHBondContact O-N 3.01Å
463P96Very high95.6Very high55 Ų5571 Ų7136%0.35737%0.37SS..EExtended strand (participates in β ladder)trans-69.2122.717628.2-34.5000112.6C444 A445 W455C444-P463 WeakPolarHBondContact CA-O 3.43Å; A445-P463 PolarHBondContact N-O 2.76Å; W455-P463 HydrophobicContact CE3-CB 4.2Å; W455-P463 HydrophobicContact CZ3-CB 4.37Å
464V96.7Very high95.8Very high8 Ų872.6 Ų72.65%0.04837%0.374CS..EExtended strand (participates in β ladder)trans-125.6147.1170.8-59.80000111.7A445 R456 N458 E462A445-V464 HydrophobicContact CB-CG1 4.23Å; R456-V464 HydrophobicContact CB-CG2 3.91Å; R456-V464 PolarHBondContact N-O 3.12Å; R456-V464 PolarHBondContact O-N 3.11Å; N458-V464 HydrophobicContact CB-CG1 4.07Å; E462-V464 PolarHBondContact O-N 3.01Å
465C96.9Very high96Very high6 Ų673.3 Ų73.34%0.04138%0.375CS..EExtended strand (participates in β ladder)trans-72.1156.8179.893.10000111.1C444 T452 A467 C468 G469C444-C465 HydrophobicContact CB-CB 3.91Å; C444-C465 PolarHBondContact SG-N 2.85Å; T452-C465 HydrophobicContact CG2-CB 4.32Å; T452-C465 WeakPolarHBondContact OG1-CB 3.36Å; C465-A467 PolarHBondContact O-N 2.89Å; C465-A467 VanDerWaalsContact O-N 3.11Å; C465-C468 PolarHBondContact O-N 2.92Å; C465-C468 VanDerWaalsContact O-N 3.12Å; C465-C468 PolarHBondContact SG-SG 2.8Å; C465-G469 PolarHBondContact O-N 3.48Å
466N97.3Very high96.1Very high35 Ų3573.7 Ų73.719%0.18740%0.395CS..Hα-helixtrans-53.4-37.8-176.9-176.758.4000113.6T452 L454 R456 L470T452-N466 PolarHBondContact OG1-N 3.09Å; L454-N466 HydrophobicContact CB-CB 4.09Å; L454-N466 WeakPolarHBondContact O-CA 3.25Å; L454-N466 VanDerWaalsContact O-CB 3.32Å; L454-N466 WeakPolarHBondContact O-CB 3.4Å; L454-N466 PolarHBondContact O-N 3.06Å; R456-N466 PolarHBondContact NE-OD1 2.78Å; R456-N466 PolarHBondContact NH2-OD1 3.4Å; N466-L470 WeakPolarHBondContact ND2-CD1 3.39Å; N466-L470 VanDerWaalsContact O-CB 3.3Å; N466-L470 WeakPolarHBondContact O-CB 3.38Å; N466-L470 WeakPolarHBondContact O-CD1 3.47Å; N466-L470 WeakPolarHBondContact O-CG 3.41Å; N466-L470 PolarHBondContact O-N 3.42Å; N466-L470 VanDerWaalsContact O-N 3.11Å
467A96.8Very high96.1Very high41 Ų4173 Ų7334%0.33940%0.4SS..Hα-helixtrans-70.5-41.1-178.800000112.4C465 Y471C465-A467 PolarHBondContact O-N 2.89Å; C465-A467 VanDerWaalsContact O-N 3.11Å; A467-Y471 WeakPolarHBondContact O-CB 3.45Å; A467-Y471 PolarHBondContact O-N 2.79Å
468C97.3Very high96.1Very high5 Ų567.3 Ų67.33%0.03439%0.389CS..Hα-helixtrans-71.9-44.1179.8-58.10000111.6N446 C465 L470 Y471 M472 R479N446-C468 HydrophobicContact CB-CB 4.32Å; N446-C468 VanDerWaalsContact OD1-CB 3.28Å; N446-C468 WeakPolarHBondContact OD1-CB 3.39Å; N446-C468 PolarHBondContact OD1-SG 3.17Å; C465-C468 PolarHBondContact O-N 2.92Å; C465-C468 VanDerWaalsContact O-N 3.12Å; C465-C468 PolarHBondContact SG-SG 2.8Å; C468-L470 VanDerWaalsContact C-N 3.3Å; C468-L470 PolarHBondContact O-N 3.01Å; C468-Y471 PolarHBondContact O-N 3.11Å; C468-M472 WeakPolarHBondContact O-CB 3.48Å; C468-M472 PolarHBondContact O-N 2.84Å; C468-R479 HydrophobicContact CB-CB 4.47Å
469G96.9Very high96.2Very high15 Ų1567.3 Ų67.316%0.15539%0.386CS..Hα-helixtrans-67.7-24.9176.700000114.4C465 K473C465-G469 PolarHBondContact O-N 3.48Å; G469-K473 WeakPolarHBondContact O-CB 3.28Å
470L96.4Very high96.3Very high80 Ų8065.1 Ų65.142%0.41936%0.363SS..Hα-helixtrans-78.6-40.2170.1-74.8173.2000112.3N466 C468 K473 L474N466-L470 WeakPolarHBondContact ND2-CD1 3.39Å; N466-L470 VanDerWaalsContact O-CB 3.3Å; N466-L470 WeakPolarHBondContact O-CB 3.38Å; N466-L470 WeakPolarHBondContact O-CD1 3.47Å; N466-L470 WeakPolarHBondContact O-CG 3.41Å; N466-L470 PolarHBondContact O-N 3.42Å; N466-L470 VanDerWaalsContact O-N 3.11Å; C468-L470 VanDerWaalsContact C-N 3.3Å; C468-L470 PolarHBondContact O-N 3.01Å; L470-K473 PolarHBondContact O-N 2.96Å; L470-L474 WeakPolarHBondContact O-CB 3.46Å; L470-L474 PolarHBondContact O-N 3.43Å
471Y97.6Very high96.3Very high50 Ų5063.7 Ų63.720%0.19636%0.359CS..Hα-helixtrans-63.6-48.4178.4-173.3-85000111.5A467 C468 K473 L474 H475 V477 P478 R479 P480 M483A467-Y471 WeakPolarHBondContact O-CB 3.45Å; A467-Y471 PolarHBondContact O-N 2.79Å; C468-Y471 PolarHBondContact O-N 3.11Å; Y471-K473 VanDerWaalsContact C-N 3.28Å; Y471-K473 PolarHBondContact O-N 3.19Å; Y471-L474 PolarHBondContact O-N 3.19Å; Y471-L474 VanDerWaalsContact O-N 3.09Å; Y471-H475 AromaticContact CD2-CD2 3.45Å; Y471-H475 VanDerWaalsContact CD2-CD2 3.45Å; Y471-H475 WeakPolarHBondContact CD2-CD2 3.49Å; Y471-H475 AromaticContact CD2-NE2 3.89Å; Y471-H475 HydrophobicContact CE1-CB 4.24Å; Y471-H475 AromaticContact CE2-CD2 3.45Å; Y471-H475 VanDerWaalsContact CE2-CD2 3.45Å; Y471-H475 WeakPolarHBondContact CE2-CD2 3.32Å; Y471-H475 AromaticContact CE2-NE2 3.79Å; Y471-H475 AromaticContact CG-CD2 3.77Å; Y471-H475 AromaticContact CZ-CD2 3.76Å; Y471-H475 PolarHBondContact O-CD2 3.24Å; Y471-H475 PolarHBondContact O-N 3.02Å; Y471-V477 VanDerWaalsContact CD1-O 3.32Å; Y471-V477 WeakPolarHBondContact CD1-O 3.45Å; Y471-V477 HydrophobicContact CE1-CG2 4.06Å; Y471-V477 WeakPolarHBondContact CE1-O 3.45Å; Y471-P478 WeakPolarHBondContact CE1-O 3.24Å; Y471-R479 HydrophobicContact CD1-CB 3.68Å; Y471-R479 HydrophobicContact CD1-CG 4.19Å; Y471-R479 HydrophobicContact CD2-CG 4.2Å; Y471-R479 HydrophobicContact CE1-CB 4.28Å; Y471-R479 HydrophobicContact CG-CB 3.82Å; Y471-R479 HydrophobicContact CG-CG 3.95Å; Y471-P480 WeakPolarHBondContact OH-CD 3.47Å; Y471-M483 HydrophobicContact CE2-CE 4.33Å; Y471-M483 HydrophobicContact CE2-SD 3.84Å
472M96.8Very high96.3Very high83 Ų8367.4 Ų67.441%0.40939%0.388SS..Hα-helixtrans-56.3-42.5175.4-17567.391.500111.7C468 L474 G476 P478C468-M472 WeakPolarHBondContact O-CB 3.48Å; C468-M472 PolarHBondContact O-N 2.84Å; M472-L474 VanDerWaalsContact C-N 3.34Å; M472-L474 PolarHBondContact O-N 2.94Å; M472-G476 VanDerWaalsContact O-CA 3.32Å; M472-G476 WeakPolarHBondContact O-CA 3.46Å; M472-G476 PolarHBondContact O-N 2.8Å; M472-P478 HydrophobicContact CE-CB 3.99Å
473K96.4Very high96.1Very high179 Ų17968.1 Ų68.178%0.77839%0.392SS*.Hα-helixtrans-69-27.3178.4179161.2-67.8-150.50114G469 L470 Y471G469-K473 WeakPolarHBondContact O-CB 3.28Å; L470-K473 PolarHBondContact O-N 2.96Å; Y471-K473 VanDerWaalsContact C-N 3.28Å; Y471-K473 PolarHBondContact O-N 3.19Å
474L97.3Very high96Very high136 Ų13669 Ų6971%0.71239%0.391SS*.Hα-helixtrans-90.5-31.9-178.5-176.559.8000113.1L470 Y471 M472L470-L474 WeakPolarHBondContact O-CB 3.46Å; L470-L474 PolarHBondContact O-N 3.43Å; Y471-L474 PolarHBondContact O-N 3.19Å; Y471-L474 VanDerWaalsContact O-N 3.09Å; M472-L474 VanDerWaalsContact C-N 3.34Å; M472-L474 PolarHBondContact O-N 2.94Å
475H96.8Very high95.7Very high103 Ų10374.8 Ų74.848%0.47742%0.415SS..Hα-helixtrans-116.8-10.1-171.6-58.9-70.9000114.4Y471 V477Y471-H475 AromaticContact CD2-CD2 3.45Å; Y471-H475 VanDerWaalsContact CD2-CD2 3.45Å; Y471-H475 WeakPolarHBondContact CD2-CD2 3.49Å; Y471-H475 AromaticContact CD2-NE2 3.89Å; Y471-H475 HydrophobicContact CE1-CB 4.24Å; Y471-H475 AromaticContact CE2-CD2 3.45Å; Y471-H475 VanDerWaalsContact CE2-CD2 3.45Å; Y471-H475 WeakPolarHBondContact CE2-CD2 3.32Å; Y471-H475 AromaticContact CE2-NE2 3.79Å; Y471-H475 AromaticContact CG-CD2 3.77Å; Y471-H475 AromaticContact CZ-CD2 3.76Å; Y471-H475 PolarHBondContact O-CD2 3.24Å; Y471-H475 PolarHBondContact O-N 3.02Å; H475-V477 HydrophobicContact CB-CG2 3.79Å; H475-V477 PolarHBondContact O-N 3.45Å
476G96.2Very high95.2Very high62 Ų6281.4 Ų81.464%0.63945%0.445SS*.SBendtrans71.31.4-176.600000115.1M472M472-G476 VanDerWaalsContact O-CA 3.32Å; M472-G476 WeakPolarHBondContact O-CA 3.46Å; M472-G476 PolarHBondContact O-N 2.8Å
477V96.1Very high94.7Very high73 Ų7381.8 Ų81.844%0.44246%0.457SS..SBendtrans-126.7151.4-175.8-71.90000111.9Y471 H475Y471-V477 VanDerWaalsContact CD1-O 3.32Å; Y471-V477 WeakPolarHBondContact CD1-O 3.45Å; Y471-V477 HydrophobicContact CE1-CG2 4.06Å; Y471-V477 WeakPolarHBondContact CE1-O 3.45Å; H475-V477 HydrophobicContact CB-CG2 3.79Å; H475-V477 PolarHBondContact O-N 3.45Å
478P95.4Very high94.4Very high79 Ų7983.9 Ų83.951%0.51346%0.462SS..PPolyproline II helixtrans-60.9146.8177.225.1-34.7000111.7Y471 M472 P480Y471-P478 WeakPolarHBondContact CE1-O 3.24Å; M472-P478 HydrophobicContact CE-CB 3.99Å; P478-P480 WeakPolarHBondContact O-CD 3.48Å
479R96.9Very high94Very high43 Ų4389.6 Ų89.616%0.16249%0.488CS..PPolyproline II helixtrans-68.3124-179.5-175177.8166.6-142.46.5110.1N446 C468 Y471 M483N446-R479 PolarHBondContact ND2-O 3.19Å; C468-R479 HydrophobicContact CB-CB 4.47Å; Y471-R479 HydrophobicContact CD1-CB 3.68Å; Y471-R479 HydrophobicContact CD1-CG 4.19Å; Y471-R479 HydrophobicContact CD2-CG 4.2Å; Y471-R479 HydrophobicContact CE1-CB 4.28Å; Y471-R479 HydrophobicContact CG-CB 3.82Å; Y471-R479 HydrophobicContact CG-CG 3.95Å; R479-M483 PolarHBondContact NH2-O 3.22Å
480P96.1Very high93.4Very high55 Ų5595.3 Ų95.336%0.35752%0.52SS..PPolyproline II helixtrans-67.4138.1178.927-33.9000110.5Y471 P478 A482 M483Y471-P480 WeakPolarHBondContact OH-CD 3.47Å; P478-P480 WeakPolarHBondContact O-CD 3.48Å; P480-A482 PolarHBondContact O-N 3.37Å; P480-M483 HydrophobicContact CG-CB 4.42Å; P480-M483 HydrophobicContact CG-CG 3.91Å; P480-M483 HydrophobicContact CG-SD 3.75Å; P480-M483 PolarHBondContact O-N 3.28Å
481L94.6Very high92.8Very high109 Ų109101.7 Ų101.757%0.57154%0.539SS*.G310 helixtrans-63.3-26.6-175.9-64.6178.9000112.9N446 C447 M483 K484N446-L481 WeakPolarHBondContact O-CD2 3.09Å; C447-L481 HydrophobicContact CB-CD2 4.01Å; L481-M483 PolarHBondContact O-N 3.27Å; L481-M483 VanDerWaalsContact O-N 3.17Å; L481-K484 WeakPolarHBondContact O-CB 3.22Å; L481-K484 PolarHBondContact O-N 3.09Å
482A93.8Very high91.6Very high105 Ų105109.3 Ų109.387%0.86857%0.573SS**G310 helixtrans-59.1-23.2171.600000113.7P480P480-A482 PolarHBondContact O-N 3.37Å
483M91.2Very high90.5Very high108 Ų108116.2 Ų116.253%0.53260%0.595SS.*G310 helixtrans-89.50.7173.4-65-177.78200113.4Y471 R479 P480 L481Y471-M483 HydrophobicContact CE2-CE 4.33Å; Y471-M483 HydrophobicContact CE2-SD 3.84Å; R479-M483 PolarHBondContact NH2-O 3.22Å; P480-M483 HydrophobicContact CG-CB 4.42Å; P480-M483 HydrophobicContact CG-CG 3.91Å; P480-M483 HydrophobicContact CG-SD 3.75Å; P480-M483 PolarHBondContact O-N 3.28Å; L481-M483 PolarHBondContact O-N 3.27Å; L481-M483 VanDerWaalsContact O-N 3.17Å
484K91.9Very high89.3Confident75 Ų75116.7 Ų116.733%0.32660%0.597SS.*  trans-64.9140.2173.1-177.7177.4167.4174.40109C447 L481 E486C447-K484 PolarHBondContact O-NZ 3.34Å; C447-K484 VanDerWaalsContact O-NZ 3.16Å; L481-K484 WeakPolarHBondContact O-CB 3.22Å; L481-K484 PolarHBondContact O-N 3.09Å; K484-E486 WeakPolarHBondContact CE-OE2 3.1Å
485K92Very high87.9Confident128 Ų128116 Ų11656%0.55760%0.601SS**  trans-125.6136.1167.7-178.5168-179154.20108Q489K485-Q489 HydrophobicContact CD-CG 4.02Å
486E85.8Confident86.1Confident145 Ų145120.1 Ų120.168%0.67862%0.617SS**SBendtrans-70.3-37.5-172.9-152.853.2-145.500112.8K484K484-E486 WeakPolarHBondContact CE-OE2 3.1Å
487G87.8Confident83.8Confident43 Ų43123.3 Ų123.344%0.44362%0.619SS.*SBendtrans-94.5134.8175.200000114.1Q489G487-Q489 PolarHBondContact O-N 3.14Å
488I89.4Confident82Confident85 Ų85126.8 Ų126.844%0.43663%0.634SS.*  trans-63.8114.7168.8-62.5177.3000109.5T453 T490T453-I488 HydrophobicContact CG2-CG2 3.68Å; I488-T490 PolarHBondContact O-N 2.76Å
489Q88.3Confident79.9Confident126 Ų126128.6 Ų128.659%0.58964%0.639SS**  trans-72.4119.5176.4-61.7-171.48.200111.8K485 G487 R491K485-Q489 HydrophobicContact CD-CG 4.02Å; G487-Q489 PolarHBondContact O-N 3.14Å; Q489-R491 PolarHBondContact O-N 3.24Å
490T85.7Confident77.3Confident134 Ų134135.5 Ų135.582%0.82267%0.67SS**  trans-86.3106.4174.347.50000111.1I488 K492I488-T490 PolarHBondContact O-N 2.76Å; T490-K492 PolarHBondContact O-N 3.38Å
491R83.4Confident75Confident214 Ų214138.9 Ų138.981%0.80870%0.695SS**  trans-79.3115.6171.8-64.9-171.7-178-170.90.8109.7Q489 R493Q489-R491 PolarHBondContact O-N 3.24Å; R491-R493 VanDerWaalsContact C-N 3.27Å; R491-R493 PolarHBondContact O-N 3.48Å
492K71.9Confident72.7Confident211 Ų211142 Ų14292%0.91771%0.705SS**  trans-68.876.6-179.8-167.2174.7-175.5176.10111.5T490 K494T490-K492 PolarHBondContact O-N 3.38Å; K492-K494 PolarHBondContact O-N 2.89Å
493R74.4Confident69.9Low228 Ų228142.5 Ų142.586%0.8670%0.696SS**PPolyproline II helixtrans-58.8124.4174-70.6-179.7172.2-178.7-3.3109.1R491R491-R493 VanDerWaalsContact C-N 3.27Å; R491-R493 PolarHBondContact O-N 3.48Å
494K71.1Confident67.5Low189 Ų189143.2 Ų143.282%0.82271%0.711SS**PPolyproline II helixtrans-55.3131.9164.8-124.692.9172.5-167.60107.4K492 K496K492-K494 PolarHBondContact O-N 2.89Å; K494-K496 PolarHBondContact O-N 3.31Å
495P66.9Low64.9Low122 Ų122145.4 Ų145.479%0.79274%0.736SS**PPolyproline II helixtrans-62.1121.4175.125.9-32.8000108.5N497P495-N497 PolarHBondContact O-N 3.16Å
496K60.1Low62.4Low188 Ų188143.1 Ų143.182%0.81775%0.749SS**  trans-74.3114.5172.7-78.2-172.5170.7-1720107.7K494 I498K494-K496 PolarHBondContact O-N 3.31Å; K496-I498 PolarHBondContact O-N 2.96Å
497N47.6Very low59.9Low129 Ų129144 Ų14469%0.6976%0.758SS**  trans-60.1119.6168.6-175.7-48000107.7P495 N499P495-N497 PolarHBondContact O-N 3.16Å; N497-N499 WeakPolarHBondContact OD1-CB 3.37Å; N497-N499 PolarHBondContact OD1-N 2.7Å; N497-N499 PolarHBondContact OD1-OD1 3.22Å
498I57.4Low57.9Low146 Ų146146.4 Ų146.475%0.74977%0.768SS**  trans-95.43.1-173-86.6167.6000111.3K496 K500K496-I498 PolarHBondContact O-N 2.96Å; I498-K500 PolarHBondContact O-N 2.89Å
499N51.5Low55.6Low117 Ų117149.6 Ų149.663%0.62679%0.786SS**  trans-82.348-168.9-47.518.8000112.3N497N497-N499 WeakPolarHBondContact OD1-CB 3.37Å; N497-N499 PolarHBondContact OD1-N 2.7Å; N497-N499 PolarHBondContact OD1-OD1 3.22Å
500K43.1Very low53.2Low188 Ų188151.6 Ų151.682%0.81780%0.8SS**  trans-150.248.5176.2-145.276.1176.4-171.70114.8I498 K502I498-K500 PolarHBondContact O-N 2.89Å; K500-K502 PolarHBondContact O-N 3.17Å; K500-K502 VanDerWaalsContact O-N 3.07Å
501S46.3Very low50.9Low126 Ų126150.2 Ų150.288%0.88180%0.797SS**  trans-71.189159.542.70000110.4
502K47.4Very low49.2Very low176 Ų176146.8 Ų146.877%0.76579%0.793SS**  trans-150.3117.3166.4-164.4162.9-173.3175.60113.6K500K500-K502 PolarHBondContact O-N 3.17Å; K500-K502 VanDerWaalsContact O-N 3.07Å
503T34.9Very low48Very low114 Ų114142.7 Ų142.770%0.69979%0.788SS**  trans56.2127.2149.9-53.20000119.4S505T503-S505 PolarHBondContact O-N 3.28Å
504C40.4Very low46.5Very low124 Ų124139.8 Ų139.884%0.83879%0.786SS**  trans-71118.5162.241.10000111.6
505S38Very low45Very low121 Ų121137.3 Ų137.385%0.84679%0.787SS**  trans-159.4138.6156.8-89.80000107.1T503T503-S505 PolarHBondContact O-N 3.28Å
506G40Very low44.3Very low80 Ų80137.5 Ų137.583%0.82579%0.788SS**  trans-110.4158.7-178.800000113.1
507N33.2Very low43.2Very low164 Ų164135 Ų13588%0.87779%0.789SS**  -153.5157.5128.6-15711.2000110.2
508S45.8Very low42.8Very low93 Ų93134.2 Ų134.265%0.6579%0.793SS**  trans-85.7150176.1-63.70000111.9
509N40.5Very low41.8Very low152 Ų152134.3 Ų134.381%0.81380%0.801SS**  trans162.4104.7132.5-81.9-13.5000111.7
510N38.5Very low41Very low167 Ų167133.2 Ų133.289%0.89380%0.802SS**  -168.2161.6105.1-115.9-6.8000112.4
511S37.4Very low40.7Very low106 Ų106130.1 Ų130.174%0.74181%0.805SS**  trans-85.7154.4-17045.60000114.7
512I47.1Very low40.2Very low142 Ų142130.9 Ų130.973%0.72880%0.799SS**  trans-90.3145.9166.7-60.9163.8000108.2M514I512-M514 HydrophobicContact CG2-CG 3.78Å
513P46.4Very low39.6Very low125 Ų125128.1 Ų128.181%0.81280%0.802SS**  trans-121.7146.8130.834.9-31.1000112.2
514M42.8Very low39.8Very low166 Ų166129.5 Ų129.582%0.81881%0.805SS**  trans-115.4130.2176.8-78.7-88.3-167.500109.4I512I512-M514 HydrophobicContact CG2-CG 3.78Å
515T40.1Very low39.4Very low137 Ų137130.5 Ų130.584%0.8480%0.802SS**  trans-148126.5161.243.30000110.1
516P52.8Low39.4Very low126 Ų126130.2 Ų130.282%0.81880%0.798SS**  trans-99.7136.2173.335.5-29.2000112
517T36.6Very low39.3Very low136 Ų136130.8 Ų130.883%0.83479%0.79SS**  trans-139.1140.5165.1-56.90000109.3
518S38.9Very low39.4Very low113 Ų113132.7 Ų132.779%0.7979%0.79SS**  trans-108.7136.9-178.9-52.50000111.5
519T35.8Very low38.9Very low147 Ų147135 Ų13590%0.90280%0.796SS**  trans-151.4152.6153.120000111.2
520S34.7Very low38.6Very low94 Ų94133.4 Ų133.466%0.65779%0.791SS**  trans-100.5158.4-17251.30000113.2
521S38.1Very low38.4Very low124 Ų124130.6 Ų130.687%0.86779%0.785SS**  trans-154.1138.6140.2-87.40000109.4
522N34.6Very low39Very low142 Ų142130.9 Ų130.976%0.75978%0.784SS**  trans-111.9162-173.8-54.9-22.3000111.1
523S34.6Very low38.2Very low118 Ų118130.1 Ų130.183%0.82579%0.786SS**  trans-158.869.5158.467.20000112.3
524D39.7Very low37.7Very low143 Ų143130.6 Ų130.677%0.76579%0.787SS**  trans-76.8169147.1-48.5-78.8000107.7
525D33Very low37.4Very low145 Ų145131.1 Ų131.178%0.77579%0.787SS**  cis-149.4-177.814.4-161.7-78.4000109.8
526C37Very low37.9Very low114 Ų114129.3 Ų129.377%0.7778%0.778SS**  trans-141.6111.1176.1176.10000111.6
527S37.5Very low36.9Very low93 Ų93129.9 Ų129.965%0.6578%0.779SS**  trans-165.7133.5161.7-97.80000117.7
528K36.5Very low36.7Very low203 Ų203127.5 Ų127.588%0.88377%0.774SS**  trans79.3163139.4-66.7172.9-176175.30120.4
529N35.2Very low36.5Very low143 Ų143128.4 Ų128.477%0.76578%0.78SS**  trans-135.1-178.4-166.2-174.712.9000108.6
530T32.3Very low36.4Very low117 Ų117124.8 Ų124.872%0.71877%0.772SS**  trans90.686.7173.278.60000118.6
531S35.4Very low36.5Very low109 Ų109125.9 Ų125.976%0.76279%0.787SS**  42.6160.6114.7-45.90000122.6
532P49.9Very low36.3Very low111 Ų111123.9 Ų123.972%0.72179%0.786SS**  cis-141.1-165.4-4641.3-23.7000113.4
533T30.3Very low36.5Very low127 Ų127121.9 Ų121.978%0.77979%0.788SS**  trans83137.9171.7-23.30000113.6
534T36Very low37.6Very low134 Ų134121.7 Ų121.782%0.82279%0.785SS**  cis-143.3171.123-33.90000112.5
535Q36Very low37.4Very low177 Ų177121 Ų12183%0.82779%0.785SS**  trans-86-170.2176.3-54.2-169.7-22.100113.8
536P50.3Low37.6Very low100 Ų100121.2 Ų121.265%0.64978%0.783SS**  cis-136.3165.8-11.434.9-16000117
537T32.8Very low37.4Very low138 Ų138122 Ų12285%0.84779%0.785SS**  174.9147.2118.227.70000116.4
538A32.8Very low37.1Very low86 Ų86120.7 Ų120.771%0.71179%0.786SS**  trans63.9117.5147.900000123.6
539S34.9Very low36.8Very low131 Ų131116.2 Ų116.292%0.91679%0.787SS**  trans64.3132.7141.9-55.20000121.1
540G32.6Very low36.5Very low72 Ų72113 Ų11374%0.74279%0.787SS**  cis170.3171.3-6.100000114.2
541A36.3Very low36.4Very low117 Ų117116.4 Ų116.497%0.96780%0.795SS**  trans69142174.900000119
542G34.4Very low36.5Very low82 Ų82116.5 Ų116.585%0.84580%0.795SS**  trans114.997.216500000116.7
543A39.4Very low35.8Very low99 Ų99118.2 Ų118.282%0.81880%0.804SS**  trans-151.7173.6168.700000108.5
544P57.7Low36Very low115 Ų115118.5 Ų118.575%0.74780%0.801SS**  cis-130.7-173.2-2.738.9-20.8000113.8
545V35.4Very low36.6Very low127 Ų127117.7 Ų117.777%0.7780%0.798SS**  173.5129.8120.3153.80000111.3
546M36.4Very low36.4Very low151 Ų151117.6 Ų117.674%0.74480%0.797SS**  trans9.3134.8158.1-47.2-53.4-86.500120.2
547T32.9Very low35.4Very low131 Ų131120 Ų12080%0.80481%0.805SS**  62.2128.757.4-45.10000112.9
548G30.5Very low35.6Very low64 Ų64118.3 Ų118.366%0.6680%0.798SS**  cis159.4169.2-5.100000112.2
549A30.8Very low35.5Very low110 Ų110121.6 Ų121.691%0.90980%0.799SS**  trans60.1136.4162.500000122
550G30.1Very low35.5Very low74 Ų74123.7 Ų123.776%0.76380%0.799SS**  trans73.3167.6159.900000117.2
551E29.8Very low35.5Very low190 Ų190127.6 Ų127.689%0.88880%0.796SS**  cis-154.6172.6-30.2-169.2147.6103.700108.3
552S37.8Very low35.1Very low111 Ų111131.8 Ų131.878%0.77679%0.788SS**  trans-56.4139.8-172.4-56.20000115.8
553T34.4Very low34.9Very low146 Ų146133.5 Ų133.590%0.89679%0.787SS**  trans-160145.6147.5-1.80000112.5
554N34.5Very low34.6Very low134 Ų134131.1 Ų131.172%0.71777%0.772SS**  trans-119.2145.9166.8-179.722.7000106.6E556N554-E556 PolarHBondContact OD1-N 3.1Å; N554-E556 VanDerWaalsContact OD1-N 3.1Å
555P47.7Very low33.4Very low116 Ų116134.3 Ų134.375%0.75378%0.777SS**  -147.3123.1115.933.6-16.1000115.8
556E33.3Very low33.2Very low175 Ų175135.9 Ų135.982%0.81878%0.781SS**  37124116.6-165.5178.4125.400120.3N554N554-E556 PolarHBondContact OD1-N 3.1Å; N554-E556 VanDerWaalsContact OD1-N 3.1Å
557N29.6Very low33Very low151 Ų151131.6 Ų131.681%0.80778%0.776SS**  trans-158.9155145.8-156.5-28000112.3
558S35.5Very low33.4Very low102 Ų102133.8 Ų133.871%0.71378%0.782SS**  trans8172.6155.5-60.70000118.9
559E30.8Very low33.4Very low155 Ų155140.9 Ų140.972%0.72479%0.79SS**  trans-56.3143.6150.3173.4-17915800112.3
560L35.1Very low33.8Very low176 Ų176142.7 Ų142.792%0.92178%0.783SS**  trans-156.5157.7146.6-109.8171.5000110.2
561K32Very low34Very low154 Ų154142.2 Ų142.267%0.6778%0.778SS**  trans-145.8151.3-141.4-176.6176.1175.1172.60115.4
562Y29.7Very low34.1Very low204 Ų204140 Ų14080%0.878%0.777SS**  trans104.6119.4148-144.6-101.2000120.8
563S30.1Very low33.9Very low119 Ų119139.8 Ų139.883%0.83278%0.775SS**  trans158.2129.1138.4-173.80000108.9
564G32.6Very low33.8Very low48 Ų48141.1 Ų141.150%0.49578%0.776SS.*  cis159.3139.8-4.600000110.7
565Q32.3Very low33.8Very low182 Ų182139.5 Ų139.585%0.8578%0.781SS**  trans72.6117.3-177.5-57.4175.4-8.800114.4
566D30.2Very low33.1Very low160 Ų160139.1 Ų139.186%0.85678%0.782SS**  81129.651.3-63.4-48.9000112.7
567G34Very low33.9Very low62 Ų62136.7 Ų136.764%0.63978%0.781SS**  cis175.8-168.3-2.100000112.4
568L40Very low34.1Very low177 Ų177133.8 Ų133.893%0.92778%0.778SS**  trans73.4142.4177.7-46.8176.6000116.7
569Y30.9Very low33.9Very low213 Ų213137.8 Ų137.884%0.83579%0.785SS**  cis-155.2178.3-24.2-174.3-106000109.5
570I38.5Very low34Very low147 Ų147136.2 Ų136.275%0.75479%0.786SS**  trans-109.1149.5-162.8-67.8170.7000114.3
571G35Very low34Very low64 Ų64134.7 Ų134.766%0.6678%0.784SS**  trans130.5147150.700000115.5
572V31.1Very low34.1Very low143 Ų143133 Ų13387%0.86779%0.792SS**  cis-146.5157.1-5.8175.10000108.8
573S34Very low34.2Very low107 Ų107129.2 Ų129.275%0.74880%0.795SS**  trans-57.9157.8-178.3-39.90000116.6
574L33.2Very low34.4Very low174 Ų174129.4 Ų129.491%0.91179%0.791SS**  trans-172142.5130.7-104.4171000114.2
575A33Very low34.4Very low100 Ų100137.8 Ų137.883%0.82681%0.808SS**  trans64171.6158.200000121
576S35Very low34.5Very low109 Ų109137.5 Ų137.576%0.76281%0.806SS**  trans-167.6171.1-162.8177.50000108.5
577P49.4Very low34.6Very low123 Ų123135.9 Ų135.980%0.79980%0.798SS**  cis-116.3-174.1-33.935.2-20.3000111.8
578A33.4Very low34.7Very low90 Ų90137.8 Ų137.874%0.74480%0.801SS**  trans-146.7162.6165.600000112.7
579E31.6Very low34.4Very low187 Ų187140.8 Ų140.887%0.87480%0.8SS**  trans68.2153.1175.4-43.4-16014700115.5
580V32Very low34.9Very low122 Ų122136.2 Ų136.274%0.73980%0.799SS**  cis-131.7143.512.6175.40000110.7
581T34.9Very low35.1Very low144 Ų144134.1 Ų134.188%0.88380%0.803SS**  trans-129.4147.115356.80000110.2
582S35.1Very low35.7Very low118 Ų118139.5 Ų139.583%0.82582%0.816SS**  trans-90.1151.5-168.956.30000113.5
583S31.8Very low36.2Very low124 Ų124136.8 Ų136.887%0.86781%0.808SS**  trans-143.4144.5167.3-156.20000112.1
584V33.3Very low36.4Very low124 Ų124140.3 Ų140.375%0.75282%0.818SS**  trans-92.2139.2-174.3172.30000110.3
585R34.3Very low36.7Very low224 Ų224140.5 Ų140.585%0.84585%0.845SS**  trans-102.8133.9168-82.5-75177.1136.2-2.2110.6
586Q33.5Very low36.9Very low176 Ų176142.6 Ų142.682%0.82285%0.846SS**  trans-145.192.3-174-174169.4-2.400108.5
587D31.8Very low37Very low126 Ų126144.3 Ų144.367%0.67485%0.85SS**  trans-82.1120.8-172.8-70-73.6000112.6
588S36.5Very low36.3Very low102 Ų102145.5 Ų145.571%0.71385%0.853SS**  trans-142.999.2172.2175.50000109.7
589W34.7Very low36.4Very low239 Ų239148.8 Ų148.891%0.90586%0.859SS**  trans-94.2106.3174.9-76.970.3000110.1
590C40.9Very low36.7Very low118 Ų118146.4 Ų146.480%0.79786%0.858SS**  trans-112.4141.1162.5-77.50000108.9
591A43.1Very low37.1Very low103 Ų103148 Ų14885%0.85187%0.866SS**  trans-84.1151.9179.100000111.6
592L46.8Very low37.2Very low176 Ų176148.3 Ų148.392%0.92187%0.865SS**  trans-142.8137.6159.3-112.6168.2000108.1
593A41.1Very low37.4Very low86 Ų86150.6 Ų150.671%0.71187%0.868SS**  trans-111.3140.317700000109.3
594L39.6Very low37.8Very low181 Ų181152.8 Ų152.895%0.94887%0.868SS**  trans-179.597.3158.1-104.8160.8000110.5
595A38.4Very low38.3Very low179 Ų179155.5 Ų155.5100%1.47988%0.879SS**  trans-166.60157.300000108

Retrieved 595 of 595 residues in 340.3 ms (Link to these results)