A0A087YMR7_POEFO Loading...

Zinc finger matrin-type protein 3

Acts as a bona fide target gene of p53/TP53. May play a role in the TP53-dependent growth regulatory pathway. May contribute to TP53-mediated apoptosis by regulation of TP53 expression and translocation to the nucleus and nucleolus.

AlphaFold DB , UniProt , Accession A0A087YMR7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 382 aa.

Structure Viewer
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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
1M43.6Very low41.2Very low237 Ų237136.5 Ų136.5100%1.16780%0.798SS**  096.20-57.1175.2-174.200105.2
2A39.7Very low41Very low89 Ų89142.8 Ų142.874%0.73680%0.801SS**  44.1121.272.700000110.4
3L41.1Very low40.5Very low147 Ų147145.4 Ų145.477%0.7779%0.792SS**  -162.4146.559.2-69.7160.2000108.6
4Q47.1Very low40Very low155 Ų155144.1 Ų144.172%0.72478%0.778SS**  58.7131.370.3-93.5171.9-2300112.3
5L43Very low39.3Very low128 Ų128140.4 Ų140.467%0.6777%0.767SS**  cis-172.8159.930.7-90.9143.5000111.1
6R42.1Very low38.9Very low215 Ų215136.7 Ų136.781%0.81176%0.761SS**  trans57.7128134.4-74.8179.1155.6-176.9-15.3121.7
7S41.1Very low38.7Very low120 Ų120138.8 Ų138.884%0.83976%0.764SS**  88.313660.2-59.60000114.2
8G38.2Very low38.5Very low64 Ų64141.9 Ų141.966%0.6676%0.764SS**  trans113.8133.7163.500000112
9D39.6Very low38.4Very low161 Ų161140.8 Ų140.886%0.86177%0.767SS**  cis-169.1132.34-98-46.2000104.7
10A36.4Very low38.2Very low90 Ų90143.1 Ų143.174%0.74476%0.764SS**  97.1152.687.100000113.9
11A41.2Very low37.9Very low96 Ų96142.4 Ų142.479%0.79376%0.76SS**  trans83.8131.4170.100000116.3
12Y38.7Very low37.5Very low212 Ų212141.7 Ų141.783%0.83175%0.746SS**  cis-174.4142-11.8-159.2-111.6000104.7
13Y35.5Very low37.4Very low176 Ų176143.1 Ų143.169%0.6975%0.746SS**  trans21.1141.9141-117.5-144.5000119.6
14Q32.2Very low37.3Very low128 Ų128141.3 Ų141.360%0.59875%0.746SS**  cis-175.8147.737.8175.897.884.500109
15S30.9Very low37.5Very low88 Ų88139.6 Ų139.662%0.61575%0.748SS**  trans-49.7162.6167.255.60000120.2
16A32Very low37.9Very low81 Ų81139.2 Ų139.267%0.66975%0.753SS**  trans98.3142.4131.100000120.8
17E35.5Very low37.8Very low172 Ų172136.3 Ų136.380%0.80476%0.759SS**  trans66.6102.4154.9-51.8-61.6112.400119.6
18Y35.4Very low37.5Very low195 Ų195133.9 Ų133.977%0.76575%0.753SS**  -157.189.2128.5-155.4-103.7000112.3R20Y18-R20 HydrophobicContact CE1-CB 3.81Å
19C37Very low37.4Very low122 Ų122142 Ų14282%0.82477%0.765SS**  trans-84.1122.4151.9-83.20000108.3
20R33.3Very low37.1Very low185 Ų185139.7 Ų139.770%0.69876%0.761SS**  trans-163.6115.2147.7-114.5-172.1177.2159.40.5113.3Y18Y18-R20 HydrophobicContact CE1-CB 3.81Å
21N32.8Very low37Very low129 Ų129141.4 Ų141.469%0.6976%0.758SS**  trans52120.9133.6-63.2-19.1000120.5
22Y35Very low36.6Very low223 Ų223142.4 Ų142.488%0.87576%0.76SS**  -170.790.6127.2-113.3-84.1000107.7
23T36.8Very low36.6Very low118 Ų118136.3 Ų136.372%0.72475%0.748SS**  66.998.395.8-51.10000113.8
24S40.1Very low36.8Very low110 Ų110136 Ų13677%0.76975%0.752SS**PPolyproline II helixtrans-75.2146.3161.6-56.80000111.1
25P50.3Low36.9Very low118 Ų118141 Ų14177%0.76677%0.767SS**PPolyproline II helixtrans-93.4144.1161.432.3-27.6000112.1
26P52Low37.1Very low121 Ų121144.8 Ų144.879%0.78678%0.78SS**PPolyproline II helixtrans-103.6140.8168.136.6-26.7000111.4
27V40.3Very low37.3Very low153 Ų153145.6 Ų145.693%0.92779%0.786SS**  trans-163.3136.5163.1-115.50000106
28G34.6Very low37.3Very low70 Ų70148.7 Ų148.772%0.72279%0.791SS**  cis157124.4900000105
29Y36.3Very low37.5Very low235 Ų235147 Ų14792%0.92279%0.794SS**  trans-80.4125.2-179.5-174.3-92000109.4
30S33Very low37.7Very low111 Ų111146.7 Ų146.778%0.77679%0.791SS**  trans-156.6112.6160.960.10000112
31D34.2Very low38Very low126 Ų126141.5 Ų141.567%0.67479%0.794SS**  trans-30.2137.6149.7-177.729.1000115.1
32S33.3Very low39Very low118 Ų118141.3 Ų141.383%0.82580%0.8SS**  trans-177.3115.2136.7-84.50000112.4
33S37.1Very low39Very low84 Ų84138.5 Ų138.559%0.58780%0.8SS**  trans-58.2165.6160.8-55.30000113.5
34H40.5Very low38.9Very low168 Ų168137 Ų13778%0.77880%0.799SS**  trans82101165.1-51.4-77.8000117.8
35Y33.8Very low38.7Very low234 Ų234140.3 Ų140.392%0.91881%0.805SS**  trans-146.1101.5132.3-113-84.8000109.6
36L35.9Very low38Very low168 Ų168143 Ų14388%0.8881%0.812SS**  trans-78126160.1-75.9173000107.8
37A35Very low37.3Very low97 Ų97146.6 Ų146.680%0.80282%0.815SS**  trans-121.397.7161.800000108.6
38R36.1Very low38Very low237 Ų237144.5 Ų144.589%0.89481%0.805SS**  trans-72.2127.8168.1166.9172.6-85.2-173.9-7.7108.5
39L39.1Very low38.7Very low161 Ų161147 Ų14784%0.84381%0.809SS**  trans-129.6150.3160.1-73.8179.4000110.6
40P42.7Very low38.7Very low115 Ų115143.5 Ų143.575%0.74781%0.805SS**  trans-96.4143.6-155.55.416.5000112.1
41G38.3Very low38.9Very low75 Ų75143.3 Ų143.377%0.77380%0.804SS**  trans-77.9166.9165.800000112.2
42P55.2Low39Very low126 Ų126144.3 Ų144.382%0.81881%0.808SS**  trans-123.6129.3147.431.5-19.2000112.1
43D34.7Very low39.2Very low164 Ų164146.9 Ų146.988%0.87781%0.805SS**  trans-52.1146.1156.4-83-84.3000112.3
44A35.5Very low39.2Very low85 Ų85147.1 Ų147.170%0.70281%0.806SS**  -178116.3117.500000111.7
45M34.9Very low39Very low180 Ų180147.5 Ų147.589%0.88781%0.808SS**  trans56.2120.7131.7-55.5-143122.500119.4
46L36.1Very low39.7Very low176 Ų176141.4 Ų141.492%0.92180%0.797SS**  -166124.1110.9-92.3164.5000109.9
47K36.9Very low39.6Very low195 Ų195140.7 Ų140.785%0.84879%0.789SS**  trans-133.9165.9166.9-109.4165.2171.8166.60104.7
48P55.6Low39.9Very low110 Ų110142.9 Ų142.971%0.71478%0.783SS**  cis-129.2-152.3-31.736-13.4000108.6
49P47.7Very low40.3Very low123 Ų123136.6 Ų136.680%0.79977%0.773SS**  -138.6146.362.429.1-6.9000115.6
50L37.6Very low40Very low161 Ų161139.4 Ų139.484%0.84378%0.779SS**  trans-93.7145.3152.8-73.4174.1000108.6
51S36.6Very low40Very low107 Ų107144.4 Ų144.475%0.74878%0.783SS**  trans169121.9133.2-710000107.4
52L37Very low40.7Very low146 Ų146146.1 Ų146.176%0.76478%0.78SS**  169.5139.798.7-83.7162.4000104.6
53F38Very low40.4Very low173 Ų173146.4 Ų146.476%0.75978%0.782SS**  cis-163134.334.3-118.4-79.1000109.4
54S35.6Very low40.8Very low88 Ų88147.1 Ų147.162%0.61578%0.779SS**  trans44.9114.7135.265.20000124.8
55H37Very low41.3Very low177 Ų177150.6 Ų150.682%0.81979%0.785SS**  18.8163119.2-75.394000121.7
56P47.4Very low42.1Very low106 Ų106147.5 Ų147.569%0.68878%0.779SS**  cis-141.3164.5-4.919.87.5000118.3
57Q35.6Very low42.6Very low152 Ų152144.9 Ų144.971%0.7177%0.772SS**  trans66.9115.3135.8-58.3-82.124.800124.6
58Q40.3Very low42.6Very low144 Ų144140.1 Ų140.167%0.67377%0.769SS**  trans75.8174130.8-55.2-72.4-0.400120.2
59P44.1Very low42Very low105 Ų105144.3 Ų144.368%0.68278%0.779SS**  -124.8137.7-82.433.6-15.5000112.1R61P59-R61 PolarHBondContact O-N 3.13Å
60F33.3Very low41.8Very low220 Ų220142.8 Ų142.897%0.96578%0.778SS**  trans-90.8105.9178.7-82.9-81.5000113.1
61R43.7Very low41.8Very low220 Ų220142.9 Ų142.983%0.8378%0.778SS**PPolyproline II helixtrans-76.7151.5163.1-174.7176.6-175177.52.8109.9P59P59-R61 PolarHBondContact O-N 3.13Å
62P52.3Low42.6Very low111 Ų111143.8 Ų143.872%0.72178%0.779SS**PPolyproline II helixtrans-78.9149.4-178.816.1-4.9000111.8
63P48.9Very low43.6Very low131 Ų131142.1 Ų142.185%0.85178%0.776SS**PPolyproline II helixtrans-80.1140.5177.631-30.2000112
64H42.8Very low44.5Very low179 Ų179139.5 Ų139.583%0.82978%0.777SS**PPolyproline II helixtrans-82.3151-177.7-147.8-98.5000111
65L45.9Very low45.5Very low158 Ų158141.4 Ų141.483%0.82779%0.787SS**PPolyproline II helixtrans-67.3153.4168.6-69.2162.4000112.3
66P52.6Low46.2Very low116 Ų116140.1 Ų140.175%0.75379%0.792SS**  trans-124.5169.1144.736.3-22.9000113
67P46.6Very low46.3Very low120 Ų120139.4 Ų139.478%0.77979%0.794SS**  trans-108.6159.8-141.639.3-33.4000116.8
68A37.2Very low47Very low95 Ų95138.3 Ų138.379%0.78580%0.8SS**  trans36.6114.5144.100000120.8
69Q42.4Very low47.1Very low198 Ų198135.8 Ų135.893%0.92580%0.804SS**  trans-131.7119.9131.8-68.8-168.2-3.100109.5
70A44.1Very low47.4Very low92 Ų92136.2 Ų136.276%0.7681%0.807SS**  trans-73.5141169.800000109.9
71L35.8Very low47.6Very low162 Ų162130.7 Ų130.785%0.84880%0.796SS**  trans-172.795.6151.2-98.6147.5000110.8
72V53.6Low47.4Very low126 Ų126130.2 Ų130.276%0.76479%0.794SS**  trans41.3127.7134.8-171.90000120.8
73P58.4Low46.9Very low111 Ų111133.4 Ų133.472%0.72180%0.797SS**PPolyproline II helixtrans-78.5156167.632.2-33.3000113.8
74P57.4Low47Very low119 Ų119132.7 Ų132.777%0.77379%0.792SS**PPolyproline II helixtrans-72.7158.8-170.329.7-35.6000114.7
75P56Low47.2Very low128 Ų128132.1 Ų132.183%0.83179%0.794SS**PPolyproline II helixtrans-83.9149-168.633.7-35000114.3
76V52.7Low47.7Very low150 Ų150129.9 Ų129.991%0.90979%0.789SS**PPolyproline II helixtrans-87135.9165.8179.70000108.8
77A49.6Very low48.1Very low90 Ų90130.4 Ų130.474%0.74479%0.792SS**  trans-131.2157.2174.400000111.7
78P49.1Very low48.2Very low129 Ų129127.3 Ų127.384%0.83878%0.783SS**  trans-104.4171.6-143.838.8-33.4000116.4
79A42.6Very low48.7Very low91 Ų91129.3 Ų129.375%0.75279%0.788SS**  trans-64176.1-177.900000115.9
80P50.1Low48.7Very low114 Ų114127.6 Ų127.674%0.7478%0.784SS**  -144.6145.5110.536.6-21.5000116.8
81S38.4Very low48.5Very low104 Ų104128.4 Ų128.473%0.72778%0.784SS**  trans52.8136.2147.351.40000120
82R38.1Very low48.9Very low210 Ų210126.1 Ų126.179%0.79278%0.782SS**  cis-174.1160.820.7-120.8177.7-177.9179.11.1108
83F42.2Very low49.2Very low179 Ų179125.7 Ų125.779%0.78578%0.781SS**  trans105.2139.6159.6-60.5-63.7000118.7
84P50.5Low49Very low116 Ų116126.4 Ų126.475%0.75379%0.786SS**PPolyproline II helixtrans-101.5148.4-139.34.717.8000113.2
85L47.5Very low48.6Very low167 Ų167124.8 Ų124.887%0.87478%0.783SS**PPolyproline II helixtrans-63.6142.2169.4-69.5158.6000111.3
86P57.8Low48.5Very low110 Ų110124.7 Ų124.771%0.71478%0.782SS**PPolyproline II helixtrans-72.2148162.930.4-31.8000110.6
87P59.4Low48.3Very low127 Ų127125 Ų12583%0.82578%0.779SS**PPolyproline II helixtrans-72.4139.7-173.129.2-32.9000111.6
88G49.4Very low48.3Very low56 Ų56126.6 Ų126.658%0.57778%0.782SS**PPolyproline II helixtrans-65154.7163.600000111L90G88-L90 PolarHBondContact O-N 3.05Å
89P48.4Very low47.9Very low137 Ų137126.9 Ų126.989%0.8978%0.776SS**  trans-70.5106.2-179.828.1-31.4000109.5
90L41.3Very low48.1Very low161 Ų161128.3 Ų128.384%0.84378%0.778SS**  trans-69.7133.2162.9-74168.2000109.2G88G88-L90 PolarHBondContact O-N 3.05Å
91S40.7Very low47.9Very low110 Ų110127.2 Ų127.277%0.76977%0.773SS**  trans37.7101.6140.2-54.60000117.6
92S43.5Very low48.1Very low114 Ų114131.6 Ų131.680%0.79778%0.782SS**PPolyproline II helixtrans-63.5138156.3-52.70000110.3
93P60.5Low48.2Very low116 Ų116129.6 Ų129.675%0.75379%0.785SS**PPolyproline II helixtrans-69.9148.7174.128.3-33000111.2
94P52.9Low48.2Very low126 Ų126127.2 Ų127.282%0.81879%0.785SS**PPolyproline II helixtrans-67.9139173.828-32.1000110.7
95A49.8Very low48.2Very low86 Ų86127.6 Ų127.671%0.71179%0.788SS**PPolyproline II helixtrans-64.8149.9175.300000111.3
96P54.6Low48.1Very low126 Ų126130.7 Ų130.782%0.81879%0.788SS**PPolyproline II helixtrans-67.3138.1178.327.2-33.4000111.9
97D48.8Very low47.7Very low157 Ų157130.4 Ų130.484%0.8479%0.786SS**PPolyproline II helixtrans-55.6137.1176.4-66.6-67.6000112.7
98P49.1Very low47.4Very low123 Ų123130.7 Ų130.780%0.79979%0.788SS**PPolyproline II helixtrans-82.1128.3163.630-29000111.7
99D41Very low47.3Very low134 Ų134131 Ų13172%0.71779%0.791SS**  trans-30.3132.7172.3-174.337.6000117S101D99-S101 PolarHBondContact O-N 3.27Å; D99-S101 VanDerWaalsContact O-N 3.13Å
100P45.9Very low47.3Very low121 Ų121131.1 Ų131.179%0.78679%0.792SS**SBendtrans-86.679.8178.735.5-33.2000110.7
101S46.6Very low47.4Very low91 Ų91127.6 Ų127.664%0.63679%0.786SS**  trans-160.382.2165.8-81.20000110.1D99D99-S101 PolarHBondContact O-N 3.27Å; D99-S101 VanDerWaalsContact O-N 3.13Å
102Q41.1Very low47.5Very low196 Ų196128.3 Ų128.392%0.91679%0.788SS**  trans-163.5100.9144.2-75-14080.600110.1
103I41.5Very low47.3Very low169 Ų169129.9 Ų129.987%0.86779%0.792SS**  trans-74.7118.2173.7-64.9155.7000108.3
104T42.7Very low46Very low128 Ų128129 Ų12979%0.78579%0.789SS**  trans-138.5119.7157.535.80000109.2
105P49.9Very low45.3Very low124 Ų124128.4 Ų128.481%0.80579%0.788SS**PPolyproline II helixtrans-80.2134.1-17727.3-29.5000112.8
106R45.2Very low44.8Very low232 Ų232134.3 Ų134.388%0.87579%0.793SS**PPolyproline II helixtrans-69.3155.4163.7-120.917878.9-177.24.7110.2
107P49.1Very low44.7Very low105 Ų105134.4 Ų134.468%0.68279%0.794SS**PPolyproline II helixtrans-77.9152.2-17832.5-29000111.6
108P54.2Low43.9Very low132 Ų132133.2 Ų133.286%0.85780%0.797SS**PPolyproline II helixtrans-76.5135.9-17929.9-31.3000111.5
109G46Very low43.1Very low63 Ų63130.9 Ų130.965%0.64979%0.794SS**PPolyproline II helixtrans-74161.8161.900000111.2
110P48.9Very low43.4Very low139 Ų139130.8 Ų130.890%0.90380%0.801SS**PPolyproline II helixtrans-75.7133.4-174.729.9-31.7000111.6
111A42.8Very low42.9Very low87 Ų87132.4 Ų132.472%0.71980%0.803SS**PPolyproline II helixtrans-86.2155.9169.100000111
112P43.5Very low43Very low125 Ų125134 Ų13481%0.81281%0.811SS**PPolyproline II helixtrans-78.2141.3-179.332.3-33.2000111.4
113V38.1Very low42.4Very low147 Ų147127.3 Ų127.389%0.89179%0.794SS**PPolyproline II helixtrans-76.6123.5173.4-74.30000110.3
114S34.3Very low42.1Very low97 Ų97128.5 Ų128.568%0.67880%0.796SS**  trans-112129.7163-175.80000107.7
115S37.3Very low41.4Very low115 Ų115126.6 Ų126.680%0.80479%0.793SS**  trans-146105.2168.8-62.30000107.9
116Y39.4Very low40.5Very low209 Ų209125.1 Ų125.182%0.8279%0.791SS**  trans-105.5158.5153.5-64.7-76.4000107.7
117P53.6Low40.2Very low128 Ų128120.3 Ų120.383%0.83179%0.79SS**  -134.4157.699.528.2-12000115.6
118C31.5Very low39.3Very low133 Ų133119.9 Ų119.990%0.89980%0.795SS**  trans-22.5139.9166-66.20000116.3
119G32.7Very low38.2Very low73 Ų73118.7 Ų118.775%0.75379%0.79SS**  114.1158.755.400000108.4
120P46.8Very low37.2Very low132 Ų132124.3 Ų124.386%0.85780%0.8SS**  cis-135.5166.315.134.3-12.1000118.3
121L36.4Very low36.6Very low156 Ų156126.5 Ų126.582%0.81780%0.798SS**  trans-51.3178.1160.6-80.2164.7000114.5
122P47.6Very low36.3Very low125 Ų125127.2 Ų127.281%0.81280%0.795SS**  cis-142.6174.52637.5-14.6000115.9
123G28.7Very low35.6Very low54 Ų54129.8 Ų129.856%0.55780%0.796SS**  cis167.6-180-0.400000112.5
124Q34.3Very low35.2Very low195 Ų195129.8 Ų129.891%0.91179%0.791SS**  trans68.2136.9150.2-55.1-167.498.700117.6
125A28.3Very low35.2Very low88 Ų88132.9 Ų132.973%0.72780%0.795SS**  cis-166.6146.1-7.400000106.1
126A30.7Very low34.9Very low92 Ų92131.2 Ų131.276%0.7680%0.796SS**  trans-78.4161.5154.200000108.8
127P38.8Very low34.4Very low131 Ų131127.9 Ų127.985%0.85180%0.801SS**  -135162.1118.833.4-20.3000113.3
128A31.6Very low33.5Very low96 Ų96128.9 Ų128.979%0.79380%0.799SS**  trans-80.7166.5178.800000112.9
129S30.7Very low33.6Very low107 Ų107130.3 Ų130.375%0.74880%0.797SS**  trans106.5132.4145-127.90000118.2
130E25.6Very low33.4Very low182 Ų182129.9 Ų129.985%0.8579%0.793SS**  trans97.2115.8149.5-32.3-139.5108.900118.6
131Q35.8Very low33.3Very low184 Ų184131.7 Ų131.786%0.8680%0.795SS**  trans-61.9153161.9-111172.3-95.900110.1
132P36.6Very low33Very low103 Ų103132.5 Ų132.567%0.66979%0.794SS**  -152.8168.26437.1-14.7000117.4
133Q29.6Very low32.9Very low179 Ų179136 Ų13684%0.83680%0.8SS**  trans35.5125.4141.9-63170.1-34.700120.7
134D29.7Very low33.3Very low146 Ų146141.9 Ų141.978%0.78181%0.812SS**  173.9107.8117.3-163.1-111.2000111
135E34.5Very low33.4Very low163 Ų163138.4 Ų138.476%0.76280%0.8SS**  trans54.1108.2134.5-42.3-56.399.400122.2
136G30.6Very low34.3Very low80 Ų80139.5 Ų139.583%0.82579%0.794SS**  10994.5116.100000119.3
137C28.2Very low35.1Very low138 Ų138140.2 Ų140.293%0.93279%0.791SS**  -151.8107.5126.7-141.20000110.4
138L34.7Very low35.8Very low149 Ų149140 Ų14078%0.7878%0.781SS**  trans-91.3164173.1-167.3143.2000108.9
139L33.9Very low36.8Very low163 Ų163137.4 Ų137.485%0.85377%0.765SS**  trans104.4108.5175.2-54.4172.2000110.3
140G29.5Very low37.8Very low65 Ų65136.1 Ų136.167%0.6775%0.749SS**  cis120.398.630.400000107.3
141L43.5Very low39.3Very low170 Ų170135.2 Ų135.289%0.8975%0.745SS**  trans-137.490.5151.3-108.9106.8000107.2
142E31.3Very low40.2Very low172 Ų172132.6 Ų132.680%0.80473%0.733SS**  5992.2103.1-33.4-147.1126.600111.9Q144E142-Q144 PolarHBondContact O-N 2.84Å; E142-Q144 VanDerWaalsContact O-N 3.13Å
143E45.5Very low41.1Very low199 Ų199129.7 Ų129.793%0.9371%0.711SS**  trans-48104.6155.7-171.2175.695.300109
144Q35.6Very low42.5Very low177 Ų177122.3 Ų122.383%0.82768%0.679SS**  trans-111.995.4170.4-167.987.191.500108.1E142 D146E142-Q144 PolarHBondContact O-N 2.84Å; E142-Q144 VanDerWaalsContact O-N 3.13Å; Q144-D146 PolarHBondContact O-N 3.25Å
145D37.3Very low44.5Very low122 Ų122120.7 Ų120.765%0.65267%0.665SS**  trans-27.9110156.3-162.3-113.3000113.8
146D46.3Very low46.1Very low112 Ų112117.7 Ų117.760%0.59966%0.66SS**  159.694.5120.8-167.4-120.4000112.3Q144 L148Q144-D146 PolarHBondContact O-N 3.25Å; D146-L148 VanDerWaalsContact OD2-CB 3.24Å; D146-L148 WeakPolarHBondContact OD2-CB 3.14Å; D146-L148 WeakPolarHBondContact OD2-CG 3.26Å; D146-L148 PolarHBondContact OD2-N 2.74Å
147P47.3Very low48.2Very low106 Ų106117.8 Ų117.869%0.68864%0.641SS**  trans-122.552.113930.1-17.8000110G149P147-G149 VanDerWaalsContact C-N 3.28Å; P147-G149 PolarHBondContact O-N 3.22Å
148L54.2Low50.3Low126 Ų126114.7 Ų114.766%0.6661%0.61SS**THydrogen-bonded Turntrans-79.173.1-177.2-60.9178.1000112D146D146-L148 VanDerWaalsContact OD2-CB 3.24Å; D146-L148 WeakPolarHBondContact OD2-CB 3.14Å; D146-L148 WeakPolarHBondContact OD2-CG 3.26Å; D146-L148 PolarHBondContact OD2-N 2.74Å
149G52.6Low52.7Low43 Ų43107.6 Ų107.644%0.44357%0.573SS.*THydrogen-bonded Turntrans-166.1-20.5165.800000115.4P147P147-G149 VanDerWaalsContact C-N 3.28Å; P147-G149 PolarHBondContact O-N 3.22Å
150L52.2Low54.7Low79 Ų79103 Ų10341%0.41455%0.546SS..THydrogen-bonded Turntrans-98.5-37.2-179-172.356.9000112.5E152 L153 L185L150-E152 VanDerWaalsContact C-N 3.29Å; L150-E152 PolarHBondContact O-N 3.07Å; L150-L153 PolarHBondContact O-N 2.74Å; L150-L185 HydrophobicContact CD1-CD1 3.74Å
151E56.5Low57.2Low164 Ų164100.6 Ų100.677%0.76652%0.518SS*.G310 helixtrans-71-27.8178-161.7153.198.400111.9L153 C154E151-L153 VanDerWaalsContact C-N 3.26Å; E151-L153 PolarHBondContact O-N 2.84Å; E151-C154 PolarHBondContact O-N 2.94Å
152E55.4Low59Low129 Ų12993.5 Ų93.560%0.60348%0.482SS*.G310 helixtrans-71.2-21.3177.6-139.4-162.1150.400113.2L150 K160L150-E152 VanDerWaalsContact C-N 3.29Å; L150-E152 PolarHBondContact O-N 3.07Å; E152-K160 WeakPolarHBondContact O-CD 3.45Å; E152-K160 WeakPolarHBondContact O-CE 3.45Å; E152-K160 PolarHBondContact O-NZ 2.91Å
153L55.7Low61.4Low42 Ų4290.8 Ų90.822%0.2247%0.473CS..G310 helixtrans-93.5-14.3177.4-99.672000113.9L150 E151 K160 L161 F188L150-L153 PolarHBondContact O-N 2.74Å; E151-L153 VanDerWaalsContact C-N 3.26Å; E151-L153 PolarHBondContact O-N 2.84Å; L153-K160 HydrophobicContact CB-CB 4.2Å; L153-K160 HydrophobicContact CD1-CD 4.46Å; L153-K160 HydrophobicContact CG-CB 3.9Å; L153-K160 HydrophobicContact CG-CD 4.21Å; L153-K160 WeakPolarHBondContact O-CA 3.3Å; L153-K160 WeakPolarHBondContact O-CB 3.36Å; L153-K160 WeakPolarHBondContact O-CG 3.47Å; L153-K160 PolarHBondContact O-N 2.84Å; L153-L161 HydrophobicContact CB-CG 4.36Å; L153-L161 HydrophobicContact CD2-CD2 3.47Å; L153-L161 VanDerWaalsContact CD2-CD2 3.47Å; L153-L161 HydrophobicContact CD2-CG 3.76Å; L153-F188 HydrophobicContact CD2-CE1 4.29Å; L153-F188 HydrophobicContact CD2-CZ 4.2Å
154C58.3Low63.2Low24 Ų2484 Ų8416%0.16245%0.445CS..EExtended strand (participates in β ladder)trans-129.682-176.1-69.30000110.4E151 Y176E151-C154 PolarHBondContact O-N 2.94Å; C154-Y176 WeakPolarHBondContact CA-OH 3.35Å; C154-Y176 HydrophobicContact CB-CD1 4.04Å; C154-Y176 HydrophobicContact CB-CE1 3.4Å; C154-Y176 VanDerWaalsContact CB-CE1 3.4Å; C154-Y176 HydrophobicContact CB-CE2 4.38Å; C154-Y176 WeakPolarHBondContact SG-CE1 3.41Å
155K72.4Confident65.5Low112 Ų11280.8 Ų80.849%0.48744%0.438SS..EExtended strand (participates in β ladder)trans-73.2152.9175.2-67.2178.5177.8-175.50110L157 Y158 Y176K155-L157 PolarHBondContact O-N 2.7Å; K155-Y158 PolarHBondContact N-O 2.89Å; K155-Y158 PolarHBondContact O-N 3.02Å; K155-Y176 PolarHBondContact N-OH 3Å; K155-Y176 PolarHBondContact O-OH 3.32Å
156P67.5Low67.7Low100 Ų10075.5 Ų75.565%0.64941%0.409SS*.THydrogen-bonded Turntrans-57.1-14.2-175.218.3-31.6000115.4A172P156-A172 WeakPolarHBondContact O-CB 3.46Å
157L74Confident69.2Low82 Ų8277.5 Ų77.543%0.42942%0.42SS..THydrogen-bonded Turntrans-131.67.1175.1-63.7172.4000113.2K155 T165 L166K155-L157 PolarHBondContact O-N 2.7Å; L157-T165 CarbonylContact O-C 3.57Å; L157-T165 WeakPolarHBondContact O-CA 3.25Å; L157-L166 WeakPolarHBondContact CB-O 3.35Å; L157-L166 VanDerWaalsContact CD2-O 3.25Å; L157-L166 WeakPolarHBondContact CD2-O 3.42Å; L157-L166 PolarHBondContact O-N 2.89Å
158Y72.5Confident71.1Confident73 Ų7375.3 Ų75.329%0.28641%0.407SS..EExtended strand (participates in β ladder)trans-150.8121.9-179.8-179.2-112.4000112.7K155 K160 V164 T165 Y176K155-Y158 PolarHBondContact N-O 2.89Å; K155-Y158 PolarHBondContact O-N 3.02Å; Y158-K160 HydrophobicContact CD1-CG 3.88Å; Y158-K160 HydrophobicContact CE1-CB 4.26Å; Y158-K160 HydrophobicContact CE1-CG 3.65Å; Y158-V164 VanDerWaalsContact CD2-O 3.3Å; Y158-V164 WeakPolarHBondContact CD2-O 3.25Å; Y158-T165 WeakPolarHBondContact CD2-OG1 3.47Å; Y158-Y176 VanDerWaalsContact C-OH 3.23Å; Y158-Y176 PolarHBondContact O-OH 2.95Å; Y158-Y176 VanDerWaalsContact O-OH 3.06Å
159C85.5Confident72.4Confident0 Ų072.5 Ų72.50%040%0.402CS..EExtended strand (participates in β ladder)trans-97.8106.3176.2179.60000109.7L161 C162 N163 V164 H175 Y176 H181C159-L161 VanDerWaalsContact C-N 3.3Å; C159-L161 PolarHBondContact O-N 2.92Å; C159-C162 HydrophobicContact CB-CB 4.17Å; C159-C162 PolarHBondContact O-N 3.36Å; C159-C162 VanDerWaalsContact SG-CB 3.56Å; C159-C162 PolarHBondContact SG-N 3.14Å; C159-C162 VanDerWaalsContact SG-N 3.36Å; C159-C162 VanDerWaalsContact SG-SG 3.68Å; C159-N163 VanDerWaalsContact O-CA 3.28Å; C159-N163 WeakPolarHBondContact O-CA 3.34Å; C159-N163 PolarHBondContact O-N 3.37Å; C159-V164 PolarHBondContact N-O 2.78Å; C159-V164 PolarHBondContact O-N 3.07Å; C159-V164 VanDerWaalsContact O-N 3.17Å; C159-H175 WeakPolarHBondContact CB-NE2 3.44Å; C159-H175 PolarHBondContact SG-NE2 3.11Å; C159-Y176 WeakPolarHBondContact CA-OH 3.1Å; C159-Y176 HydrophobicContact CB-CE1 3.62Å; C159-Y176 PolarHBondContact N-OH 3.39Å; C159-H181 PolarHBondContact SG-CE1 2.9Å; C159-H181 PolarHBondContact SG-ND1 3.44Å
160K75.8Confident73.8Confident67 Ų6777.8 Ų77.829%0.29142%0.416SS..THydrogen-bonded Turntrans-66.1-30.9176.8-58.1-166-175158.60112.1E152 L153 Y158 C162 N163E152-K160 WeakPolarHBondContact O-CD 3.45Å; E152-K160 WeakPolarHBondContact O-CE 3.45Å; E152-K160 PolarHBondContact O-NZ 2.91Å; L153-K160 HydrophobicContact CB-CB 4.2Å; L153-K160 HydrophobicContact CD1-CD 4.46Å; L153-K160 HydrophobicContact CG-CB 3.9Å; L153-K160 HydrophobicContact CG-CD 4.21Å; L153-K160 WeakPolarHBondContact O-CA 3.3Å; L153-K160 WeakPolarHBondContact O-CB 3.36Å; L153-K160 WeakPolarHBondContact O-CG 3.47Å; L153-K160 PolarHBondContact O-N 2.84Å; Y158-K160 HydrophobicContact CD1-CG 3.88Å; Y158-K160 HydrophobicContact CE1-CB 4.26Å; Y158-K160 HydrophobicContact CE1-CG 3.65Å; K160-C162 VanDerWaalsContact C-N 3.33Å; K160-C162 PolarHBondContact O-N 3.37Å; K160-N163 PolarHBondContact O-OD1 2.64Å; K160-N163 VanDerWaalsContact O-OD1 3.12Å
161L82.6Confident75.3Confident13 Ų1379 Ų797%0.06842%0.419CS..THydrogen-bonded Turntrans-66.3-36.7176.6-71169.3000112.4L153 C159 K184 L185 F188L153-L161 HydrophobicContact CB-CG 4.36Å; L153-L161 HydrophobicContact CD2-CD2 3.47Å; L153-L161 VanDerWaalsContact CD2-CD2 3.47Å; L153-L161 HydrophobicContact CD2-CG 3.76Å; C159-L161 VanDerWaalsContact C-N 3.3Å; C159-L161 PolarHBondContact O-N 2.92Å; L161-K184 VanDerWaalsContact O-CD 3.25Å; L161-K184 WeakPolarHBondContact O-CD 3.16Å; L161-K184 WeakPolarHBondContact O-CE 3.34Å; L161-K184 PolarHBondContact O-NZ 2.89Å; L161-L185 HydrophobicContact CD1-CD1 3.26Å; L161-L185 HydrophobicContact CD1-CG 4.5Å; L161-F188 HydrophobicContact CD2-CB 3.99Å; L161-F188 HydrophobicContact CD2-CD1 3.81Å; L161-F188 HydrophobicContact CD2-CD2 3.86Å; L161-F188 HydrophobicContact CD2-CE1 4.23Å; L161-F188 HydrophobicContact CD2-CE2 4.28Å; L161-F188 HydrophobicContact CD2-CG 3.6Å; L161-F188 HydrophobicContact CD2-CZ 4.45Å
162C81.3Confident76.5Confident22 Ų2271.3 Ų71.315%0.14938%0.383CS..THydrogen-bonded Turntrans-96.3-13.7-179.9-660000113C159 K160 V164 H175 H181C159-C162 HydrophobicContact CB-CB 4.17Å; C159-C162 PolarHBondContact O-N 3.36Å; C159-C162 VanDerWaalsContact SG-CB 3.56Å; C159-C162 PolarHBondContact SG-N 3.14Å; C159-C162 VanDerWaalsContact SG-N 3.36Å; C159-C162 VanDerWaalsContact SG-SG 3.68Å; K160-C162 VanDerWaalsContact C-N 3.33Å; K160-C162 PolarHBondContact O-N 3.37Å; C162-V164 VanDerWaalsContact C-N 3.27Å; C162-V164 HydrophobicContact CB-CB 4.38Å; C162-V164 HydrophobicContact CB-CG2 3.91Å; C162-V164 WeakPolarHBondContact O-CG2 3.5Å; C162-H175 WeakPolarHBondContact CB-NE2 3.35Å; C162-H175 PolarHBondContact SG-NE2 2.86Å; C162-H181 PolarHBondContact SG-ND1 3.3Å
163N81.1Confident77.9Confident114 Ų11470.8 Ų70.861%0.6138%0.381SS*.THydrogen-bonded Turntrans5343.2-168.3-59.469.6000111.8C159 K160C159-N163 VanDerWaalsContact O-CA 3.28Å; C159-N163 WeakPolarHBondContact O-CA 3.34Å; C159-N163 PolarHBondContact O-N 3.37Å; K160-N163 PolarHBondContact O-OD1 2.64Å; K160-N163 VanDerWaalsContact O-OD1 3.12Å
164V82.7Confident79.4Confident57 Ų5771.9 Ų71.935%0.34540%0.396SS..EExtended strand (participates in β ladder)trans-120.5126.4-178.2-177.50000110Y158 C159 C162 L166Y158-V164 VanDerWaalsContact CD2-O 3.3Å; Y158-V164 WeakPolarHBondContact CD2-O 3.25Å; C159-V164 PolarHBondContact N-O 2.78Å; C159-V164 PolarHBondContact O-N 3.07Å; C159-V164 VanDerWaalsContact O-N 3.17Å; C162-V164 VanDerWaalsContact C-N 3.27Å; C162-V164 HydrophobicContact CB-CB 4.38Å; C162-V164 HydrophobicContact CB-CG2 3.91Å; C162-V164 WeakPolarHBondContact O-CG2 3.5Å; V164-L166 HydrophobicContact CG1-CD2 3.56Å; V164-L166 HydrophobicContact CG1-CG 4.2Å
165T84.5Confident80.9Confident109 Ų10972.8 Ų72.867%0.66940%0.398SS*.EExtended strand (participates in β ladder)trans-88.1128.2168.8-460000109.1L157 Y158L157-T165 CarbonylContact O-C 3.57Å; L157-T165 WeakPolarHBondContact O-CA 3.25Å; Y158-T165 WeakPolarHBondContact CD2-OG1 3.47Å
166L84.1Confident81.5Confident11 Ų1170 Ų706%0.05839%0.385CS..  trans-112.5132.6-174.9-57.9171000107.4L157 V164 Q171 A172 H175L157-L166 WeakPolarHBondContact CB-O 3.35Å; L157-L166 VanDerWaalsContact CD2-O 3.25Å; L157-L166 WeakPolarHBondContact CD2-O 3.42Å; L157-L166 PolarHBondContact O-N 2.89Å; V164-L166 HydrophobicContact CG1-CD2 3.56Å; V164-L166 HydrophobicContact CG1-CG 4.2Å; L166-Q171 HydrophobicContact CD2-CG 4.15Å; L166-A172 HydrophobicContact CB-CB 4.23Å; L166-A172 VanDerWaalsContact CD1-CA 3.49Å; L166-A172 HydrophobicContact CD1-CB 3.97Å; L166-H175 HydrophobicContact CD1-CB 3.41Å; L166-H175 VanDerWaalsContact CD1-CB 3.41Å; L166-H175 HydrophobicContact CD2-CB 4.4Å
167N78.3Confident82.4Confident155 Ų15571.9 Ų71.983%0.82939%0.385SS*.SBendtrans-84.9-15.4-166.9-170.7-102.4000112.8
168S86Confident83.1Confident59 Ų5969 Ų6941%0.41338%0.375SS..SBendtrans-140.9147.9179.4172.70000111.6Q170 Q171 A172S168-Q170 PolarHBondContact O-N 3.43Å; S168-Q170 PolarHBondContact OG-N 3.44Å; S168-Q171 WeakPolarHBondContact O-CB 3.49Å; S168-Q171 PolarHBondContact O-N 3.09Å; S168-A172 PolarHBondContact O-N 3.5Å
169A81.6Confident83.7Confident67 Ų6774.5 Ų74.555%0.55440%0.4SS*.Hα-helixtrans-56.5-36.6176.400000112.3Q171 A172 Q173A169-Q171 VanDerWaalsContact C-N 3.34Å; A169-Q171 PolarHBondContact O-N 2.99Å; A169-A172 WeakPolarHBondContact O-CB 3.47Å; A169-A172 PolarHBondContact O-N 2.88Å; A169-Q173 PolarHBondContact O-N 3.26Å
170Q82.8Confident83.7Confident155 Ų15581.1 Ų81.172%0.72444%0.436SS*.Hα-helixtrans-69.6-34.1178.6-159.2172.927.100111.9S168 A174S168-Q170 PolarHBondContact O-N 3.43Å; S168-Q170 PolarHBondContact OG-N 3.44Å; Q170-A174 WeakPolarHBondContact O-CB 3.02Å; Q170-A174 PolarHBondContact O-N 3.13Å
171Q82.1Confident84.2Confident103 Ų10378.5 Ų78.548%0.48143%0.425SS..Hα-helixtrans-70.2-37.4173.6-169.4-174.65200111.2L166 S168 A169 A174 H175L166-Q171 HydrophobicContact CD2-CG 4.15Å; S168-Q171 WeakPolarHBondContact O-CB 3.49Å; S168-Q171 PolarHBondContact O-N 3.09Å; A169-Q171 VanDerWaalsContact C-N 3.34Å; A169-Q171 PolarHBondContact O-N 2.99Å; Q171-A174 PolarHBondContact O-N 2.93Å; Q171-H175 WeakPolarHBondContact O-CB 3.26Å; Q171-H175 PolarHBondContact O-N 3.46Å
172A82.4Confident84.3Confident3 Ų380.5 Ų80.53%0.02544%0.44CS..Hα-helixtrans-62.4-47172.600000112.4P156 L166 S168 A169 A174 H175 Y176P156-A172 WeakPolarHBondContact O-CB 3.46Å; L166-A172 HydrophobicContact CB-CB 4.23Å; L166-A172 VanDerWaalsContact CD1-CA 3.49Å; L166-A172 HydrophobicContact CD1-CB 3.97Å; S168-A172 PolarHBondContact O-N 3.5Å; A169-A172 WeakPolarHBondContact O-CB 3.47Å; A169-A172 PolarHBondContact O-N 2.88Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A172-A174 PolarHBondContact O-N 3.22Å; A172-H175 WeakPolarHBondContact O-CB 3.46Å; A172-H175 PolarHBondContact O-N 3.06Å; A172-H175 VanDerWaalsContact O-N 3.13Å; A172-Y176 HydrophobicContact CB-CD2 4.32Å; A172-Y176 HydrophobicContact CB-CE2 3.93Å; A172-Y176 WeakPolarHBondContact O-CD2 3.45Å; A172-Y176 PolarHBondContact O-N 3.05Å
173Q84Confident84.5Confident118 Ų11886.1 Ų86.155%0.55146%0.462SS*.Hα-helixtrans-60.8-42.7177-140.2-167.3-36.300111.8A169 H175 Q177A169-Q173 PolarHBondContact O-N 3.26Å; Q173-H175 VanDerWaalsContact C-N 3.33Å; Q173-H175 PolarHBondContact O-N 3.05Å; Q173-Q177 WeakPolarHBondContact O-CB 3.48Å; Q173-Q177 WeakPolarHBondContact O-CG 3.48Å; Q173-Q177 PolarHBondContact O-N 2.95Å; Q173-Q177 VanDerWaalsContact O-N 3.09Å; Q173-Q177 PolarHBondContact O-NE2 2.79Å
174A88.2Confident84.6Confident66 Ų6685.1 Ų85.155%0.54545%0.452SS..Hα-helixtrans-66.2-34.8176.400000112.6Q170 Q171 A172 G178Q170-A174 WeakPolarHBondContact O-CB 3.02Å; Q170-A174 PolarHBondContact O-N 3.13Å; Q171-A174 PolarHBondContact O-N 2.93Å; A172-A174 VanDerWaalsContact C-N 3.33Å; A172-A174 PolarHBondContact O-N 3.22Å; A174-G178 PolarHBondContact O-N 3.39Å
175H89.5Confident84.7Confident42 Ų4284.4 Ų84.419%0.19445%0.446CS..Hα-helixtrans-67.2-49.3175178.892.1000111.9C159 C162 L166 Q171 A172 Q173 Q177 G178 H181C159-H175 WeakPolarHBondContact CB-NE2 3.44Å; C159-H175 PolarHBondContact SG-NE2 3.11Å; C162-H175 WeakPolarHBondContact CB-NE2 3.35Å; C162-H175 PolarHBondContact SG-NE2 2.86Å; L166-H175 HydrophobicContact CD1-CB 3.41Å; L166-H175 VanDerWaalsContact CD1-CB 3.41Å; L166-H175 HydrophobicContact CD2-CB 4.4Å; Q171-H175 WeakPolarHBondContact O-CB 3.26Å; Q171-H175 PolarHBondContact O-N 3.46Å; A172-H175 WeakPolarHBondContact O-CB 3.46Å; A172-H175 PolarHBondContact O-N 3.06Å; A172-H175 VanDerWaalsContact O-N 3.13Å; Q173-H175 VanDerWaalsContact C-N 3.33Å; Q173-H175 PolarHBondContact O-N 3.05Å; H175-Q177 VanDerWaalsContact C-N 3.33Å; H175-Q177 PolarHBondContact O-N 3.2Å; H175-G178 PolarHBondContact O-N 2.84Å; H175-H181 AromaticContact CD2-ND1 3.9Å; H175-H181 AromaticContact NE2-ND1 3.58Å; H175-H181 WeakPolarHBondContact O-CB 3.29Å
176Y85.1Confident84.7Confident53 Ų5388.4 Ų88.421%0.20845%0.449CS..Hα-helixtrans-65.6-35.2-178-66.2-48.3000112.8C154 K155 Y158 C159 A172 G178 H181C154-Y176 WeakPolarHBondContact CA-OH 3.35Å; C154-Y176 HydrophobicContact CB-CD1 4.04Å; C154-Y176 HydrophobicContact CB-CE1 3.4Å; C154-Y176 VanDerWaalsContact CB-CE1 3.4Å; C154-Y176 HydrophobicContact CB-CE2 4.38Å; C154-Y176 WeakPolarHBondContact SG-CE1 3.41Å; K155-Y176 PolarHBondContact N-OH 3Å; K155-Y176 PolarHBondContact O-OH 3.32Å; Y158-Y176 VanDerWaalsContact C-OH 3.23Å; Y158-Y176 PolarHBondContact O-OH 2.95Å; Y158-Y176 VanDerWaalsContact O-OH 3.06Å; C159-Y176 WeakPolarHBondContact CA-OH 3.1Å; C159-Y176 HydrophobicContact CB-CE1 3.62Å; C159-Y176 PolarHBondContact N-OH 3.39Å; A172-Y176 HydrophobicContact CB-CD2 4.32Å; A172-Y176 HydrophobicContact CB-CE2 3.93Å; A172-Y176 WeakPolarHBondContact O-CD2 3.45Å; A172-Y176 PolarHBondContact O-N 3.05Å; Y176-G178 PolarHBondContact O-N 3.28Å; Y176-H181 AromaticContact CD1-CE1 3.76Å; Y176-H181 AromaticContact CD1-NE2 3.75Å; Y176-H181 PolarHBondContact O-CD2 3.19Å; Y176-H181 VanDerWaalsContact O-CD2 3.3Å
177Q86.2Confident84.7Confident141 Ų14192.6 Ų92.666%0.65947%0.471SS*.THydrogen-bonded Turntrans-82.70.8174.1-64170.497.700113Q173 H175Q173-Q177 WeakPolarHBondContact O-CB 3.48Å; Q173-Q177 WeakPolarHBondContact O-CG 3.48Å; Q173-Q177 PolarHBondContact O-N 2.95Å; Q173-Q177 VanDerWaalsContact O-N 3.09Å; Q173-Q177 PolarHBondContact O-NE2 2.79Å; H175-Q177 VanDerWaalsContact C-N 3.33Å; H175-Q177 PolarHBondContact O-N 3.2Å
178G88.3Confident84.8Confident21 Ų2190 Ų9022%0.21645%0.453CS..SBendtrans-75147.5-175.600000114.1A174 H175 Y176 N180 H181 S182A174-G178 PolarHBondContact O-N 3.39Å; H175-G178 PolarHBondContact O-N 2.84Å; Y176-G178 PolarHBondContact O-N 3.28Å; G178-N180 PolarHBondContact O-N 3.36Å; G178-H181 PolarHBondContact O-N 3.25Å; G178-S182 PolarHBondContact O-N 3.25Å; G178-S182 PolarHBondContact O-OG 3.16Å
179K85.6Confident84.4Confident188 Ų18892.1 Ų92.182%0.81745%0.452SS*.Hα-helixtrans-61-24.9175.3-64-179.2-177.5178.70113.6S182 K183K179-S182 VanDerWaalsContact C-OG 3.3Å; K179-S182 VanDerWaalsContact CA-OG 3.25Å; K179-S182 WeakPolarHBondContact CA-OG 3.43Å; K179-S182 PolarHBondContact O-OG 3.48Å; K179-S182 VanDerWaalsContact O-OG 3.11Å; K179-K183 WeakPolarHBondContact O-CB 3.49Å; K179-K183 PolarHBondContact O-N 2.82Å
180N84.8Confident84.2Confident140 Ų14093.1 Ų93.175%0.74946%0.461SS*.Hα-helixtrans-79-44.5177.5-69.7-64.7000112.1G178 K183 K184G178-N180 PolarHBondContact O-N 3.36Å; N180-K183 PolarHBondContact O-N 3.42Å; N180-K184 PolarHBondContact O-N 2.83Å; N180-K184 VanDerWaalsContact O-N 3.08Å
181H86.4Confident83.2Confident11 Ų1188.9 Ų88.95%0.05146%0.459CS..Hα-helixtrans-64.5-47.6177.2179.376.9000110.7C159 C162 H175 Y176 G178 K183 K184 L185C159-H181 PolarHBondContact SG-CE1 2.9Å; C159-H181 PolarHBondContact SG-ND1 3.44Å; C162-H181 PolarHBondContact SG-ND1 3.3Å; H175-H181 AromaticContact CD2-ND1 3.9Å; H175-H181 AromaticContact NE2-ND1 3.58Å; H175-H181 WeakPolarHBondContact O-CB 3.29Å; Y176-H181 AromaticContact CD1-CE1 3.76Å; Y176-H181 AromaticContact CD1-NE2 3.75Å; Y176-H181 PolarHBondContact O-CD2 3.19Å; Y176-H181 VanDerWaalsContact O-CD2 3.3Å; G178-H181 PolarHBondContact O-N 3.25Å; H181-K183 VanDerWaalsContact C-N 3.31Å; H181-K183 PolarHBondContact O-N 2.93Å; H181-K184 CarbonylContact O-C 3.52Å; H181-K184 PolarHBondContact O-N 3.49Å; H181-L185 WeakPolarHBondContact O-CB 3.42Å; H181-L185 PolarHBondContact O-N 2.94Å
182S86Confident82.2Confident55 Ų5586.1 Ų86.139%0.38545%0.451SS..Hα-helixtrans-58.6-37175.949.20000113.8G178 K179 R186G178-S182 PolarHBondContact O-N 3.25Å; G178-S182 PolarHBondContact O-OG 3.16Å; K179-S182 VanDerWaalsContact C-OG 3.3Å; K179-S182 VanDerWaalsContact CA-OG 3.25Å; K179-S182 WeakPolarHBondContact CA-OG 3.43Å; K179-S182 PolarHBondContact O-OG 3.48Å; K179-S182 VanDerWaalsContact O-OG 3.11Å; S182-R186 WeakPolarHBondContact O-CB 3.43Å; S182-R186 PolarHBondContact O-N 2.92Å
183K85.9Confident80.7Confident140 Ų14093.3 Ų93.361%0.60948%0.484SS*.Hα-helixtrans-65.9-42172.9-173.8176.8-178.5178.90111.9K179 N180 H181 R186 N187K179-K183 WeakPolarHBondContact O-CB 3.49Å; K179-K183 PolarHBondContact O-N 2.82Å; N180-K183 PolarHBondContact O-N 3.42Å; H181-K183 VanDerWaalsContact C-N 3.31Å; H181-K183 PolarHBondContact O-N 2.93Å; K183-R186 PolarHBondContact O-N 2.89Å; K183-N187 WeakPolarHBondContact O-CB 3.14Å; K183-N187 VanDerWaalsContact O-CG 3.23Å; K183-N187 PolarHBondContact O-N 2.93Å; K183-N187 VanDerWaalsContact O-N 3.08Å; K183-N187 PolarHBondContact O-OD1 3.08Å
184K82.4Confident78.7Confident94 Ų9495.8 Ų95.841%0.40950%0.496SS..Hα-helixtrans-68.7-37.2178.2-151.9172.4-171.5-158.10111.4L161 N180 H181 N187 F188L161-K184 VanDerWaalsContact O-CD 3.25Å; L161-K184 WeakPolarHBondContact O-CD 3.16Å; L161-K184 WeakPolarHBondContact O-CE 3.34Å; L161-K184 PolarHBondContact O-NZ 2.89Å; N180-K184 PolarHBondContact O-N 2.83Å; N180-K184 VanDerWaalsContact O-N 3.08Å; H181-K184 CarbonylContact O-C 3.52Å; H181-K184 PolarHBondContact O-N 3.49Å; K184-N187 PolarHBondContact O-N 3.3Å; K184-F188 WeakPolarHBondContact O-CB 3.5Å; K184-F188 PolarHBondContact O-N 2.9Å
185L85.3Confident76.3Confident41 Ų4198.2 Ų98.222%0.21551%0.506CS..Hα-helixtrans-61-50.8173.2-17271000111.2L150 L161 H181 N187 F188 Y189L150-L185 HydrophobicContact CD1-CD1 3.74Å; L161-L185 HydrophobicContact CD1-CD1 3.26Å; L161-L185 HydrophobicContact CD1-CG 4.5Å; H181-L185 WeakPolarHBondContact O-CB 3.42Å; H181-L185 PolarHBondContact O-N 2.94Å; L185-N187 VanDerWaalsContact C-N 3.31Å; L185-N187 PolarHBondContact O-N 2.86Å; L185-F188 WeakPolarHBondContact O-CB 3.43Å; L185-F188 PolarHBondContact O-N 3.26Å; L185-F188 VanDerWaalsContact O-N 3.16Å; L185-Y189 HydrophobicContact CD1-CD2 4.16Å; L185-Y189 HydrophobicContact CD1-CE2 3.62Å; L185-Y189 HydrophobicContact CD2-CE2 4.4Å; L185-Y189 HydrophobicContact CG-CD2 3.97Å; L185-Y189 HydrophobicContact CG-CE2 3.75Å; L185-Y189 VanDerWaalsContact O-CD2 3.25Å; L185-Y189 WeakPolarHBondContact O-CD2 2.92Å; L185-Y189 PolarHBondContact O-N 3.48Å
186R84.1Confident74.1Confident193 Ų193101.8 Ų101.873%0.72853%0.532SS*.Hα-helixtrans-59.9-41.4177.5-171.9-175.2-66.8170.8-2.3112.3S182 K183 A190S182-R186 WeakPolarHBondContact O-CB 3.43Å; S182-R186 PolarHBondContact O-N 2.92Å; K183-R186 PolarHBondContact O-N 2.89Å; R186-A190 WeakPolarHBondContact O-CB 3.25Å; R186-A190 PolarHBondContact O-N 2.95Å
187N82.9Confident71.6Confident100 Ų100104 Ų10454%0.53556%0.562SS.*Hα-helixtrans-68.7-35.3177.5-71.41.4000112.4K183 K184 L185 A190 G191K183-N187 WeakPolarHBondContact O-CB 3.14Å; K183-N187 VanDerWaalsContact O-CG 3.23Å; K183-N187 PolarHBondContact O-N 2.93Å; K183-N187 VanDerWaalsContact O-N 3.08Å; K183-N187 PolarHBondContact O-OD1 3.08Å; K184-N187 PolarHBondContact O-N 3.3Å; L185-N187 VanDerWaalsContact C-N 3.31Å; L185-N187 PolarHBondContact O-N 2.86Å; N187-A190 PolarHBondContact O-N 2.78Å; N187-G191 PolarHBondContact O-N 3.41Å; N187-G191 VanDerWaalsContact O-N 3.15Å
188F81.1Confident69.3Low100 Ų100104.9 Ų104.944%0.43957%0.569SS.*Hα-helixtrans-63.7-52.8174.4-174-97.8000110L153 L161 K184 L185 A190 G191 S192L153-F188 HydrophobicContact CD2-CE1 4.29Å; L153-F188 HydrophobicContact CD2-CZ 4.2Å; L161-F188 HydrophobicContact CD2-CB 3.99Å; L161-F188 HydrophobicContact CD2-CD1 3.81Å; L161-F188 HydrophobicContact CD2-CD2 3.86Å; L161-F188 HydrophobicContact CD2-CE1 4.23Å; L161-F188 HydrophobicContact CD2-CE2 4.28Å; L161-F188 HydrophobicContact CD2-CG 3.6Å; L161-F188 HydrophobicContact CD2-CZ 4.45Å; K184-F188 WeakPolarHBondContact O-CB 3.5Å; K184-F188 PolarHBondContact O-N 2.9Å; L185-F188 WeakPolarHBondContact O-CB 3.43Å; L185-F188 PolarHBondContact O-N 3.26Å; L185-F188 VanDerWaalsContact O-N 3.16Å; F188-A190 VanDerWaalsContact C-N 3.27Å; F188-A190 PolarHBondContact O-N 3.03Å; F188-G191 CarbonylContact O-C 3.56Å; F188-G191 PolarHBondContact O-N 3.3Å; F188-S192 WeakPolarHBondContact CD1-OG 3.45Å; F188-S192 WeakPolarHBondContact CE1-OG 3.49Å; F188-S192 VanDerWaalsContact O-CB 3.24Å; F188-S192 WeakPolarHBondContact O-CB 3.42Å; F188-S192 PolarHBondContact O-N 3.31Å; F188-S192 PolarHBondContact O-OG 3.33Å
189Y77Confident67.8Low103 Ų103114.6 Ų114.640%0.40460%0.6SS.*Hα-helixtrans-58.9-34.5175.7-79.4-72.2000113.8L185 G191 Q193L185-Y189 HydrophobicContact CD1-CD2 4.16Å; L185-Y189 HydrophobicContact CD1-CE2 3.62Å; L185-Y189 HydrophobicContact CD2-CE2 4.4Å; L185-Y189 HydrophobicContact CG-CD2 3.97Å; L185-Y189 HydrophobicContact CG-CE2 3.75Å; L185-Y189 VanDerWaalsContact O-CD2 3.25Å; L185-Y189 WeakPolarHBondContact O-CD2 2.92Å; L185-Y189 PolarHBondContact O-N 3.48Å; Y189-G191 VanDerWaalsContact C-N 3.26Å; Y189-G191 PolarHBondContact O-N 2.95Å; Y189-Q193 WeakPolarHBondContact O-CG 3.44Å
190A77.8Confident65.7Low88 Ų88113.4 Ų113.473%0.72760%0.6SS**Hα-helixtrans-70.8-20175.500000113.6R186 N187 F188R186-A190 WeakPolarHBondContact O-CB 3.25Å; R186-A190 PolarHBondContact O-N 2.95Å; N187-A190 PolarHBondContact O-N 2.78Å; F188-A190 VanDerWaalsContact C-N 3.27Å; F188-A190 PolarHBondContact O-N 3.03Å
191G62.6Low63.8Low67 Ų67111.5 Ų111.569%0.69160%0.596SS**Hα-helixtrans-109.6-19.6179.900000115.4N187 F188 Y189N187-G191 PolarHBondContact O-N 3.41Å; N187-G191 VanDerWaalsContact O-N 3.15Å; F188-G191 CarbonylContact O-C 3.56Å; F188-G191 PolarHBondContact O-N 3.3Å; Y189-G191 VanDerWaalsContact C-N 3.26Å; Y189-G191 PolarHBondContact O-N 2.95Å
192S61.3Low61.5Low45 Ų45120 Ų12032%0.31564%0.635SS.*Hα-helixtrans-99.3-1.7-173.4700000114.2F188 Q194F188-S192 WeakPolarHBondContact CD1-OG 3.45Å; F188-S192 WeakPolarHBondContact CE1-OG 3.49Å; F188-S192 VanDerWaalsContact O-CB 3.24Å; F188-S192 WeakPolarHBondContact O-CB 3.42Å; F188-S192 PolarHBondContact O-N 3.31Å; F188-S192 PolarHBondContact O-OG 3.33Å; S192-Q194 PolarHBondContact O-N 3.08Å
193Q49.8Very low58.9Low153 Ų153121.7 Ų121.772%0.71565%0.653SS**  trans-81.624.9178-69.1-74.172.100114.2Y189Y189-Q193 WeakPolarHBondContact O-CG 3.44Å
194Q42.2Very low56.2Low171 Ų171122.3 Ų122.380%0.79966%0.662SS**SBendtrans-95.3116.5156.8-93.6-162.5-66.100108.8S192S192-Q194 PolarHBondContact O-N 3.08Å
195P39.1Very low53.8Low117 Ų117126.7 Ų126.776%0.7668%0.684SS**PPolyproline II helixtrans-61.1145.2179.5-18.429.5000111.7
196P41.3Very low51.2Low116 Ų116128.6 Ų128.675%0.75371%0.714SS**PPolyproline II helixtrans-68.2137175.129.9-32.3000109.9I198P196-I198 PolarHBondContact O-N 3.37Å
197A33.6Very low48.7Very low99 Ų99124.5 Ų124.582%0.81872%0.721SS**  trans-60.8105.9-179.700000111.1R199A197-R199 PolarHBondContact O-N 3.08Å
198I38.1Very low46.1Very low160 Ų160123.3 Ų123.382%0.82173%0.732SS**  trans-62.7122168.7-66.6166.6000108P196P196-I198 PolarHBondContact O-N 3.37Å
199R56.6Low44.8Very low226 Ų226124.3 Ų124.385%0.85375%0.748SS**  trans-77.8143.8161.2-63-154.8174.11790.2108.7A197A197-R199 PolarHBondContact O-N 3.08Å
200I40.5Very low42.7Very low162 Ų162126.7 Ų126.783%0.83177%0.768SS**  trans-179.2155.2140.4-89.5150.4000111
201P45.7Very low40.6Very low101 Ų101127.1 Ų127.166%0.65677%0.771SS**  trans-97.1171.6-156-7.730.1000119.1
202E37.2Very low39.2Very low188 Ų188127.7 Ų127.788%0.87978%0.778SS**  trans81.1136.1145.2-82.2-178112.800124.4
203A32.3Very low37.8Very low91 Ų91131.9 Ų131.975%0.75281%0.807SS**  trans82.7115.7139.100000121.9
204L29.4Very low36.8Very low154 Ų154128.3 Ų128.381%0.80681%0.811SS**  139.7116.7109.2-164.670.8000114.4
205E31.8Very low36.2Very low186 Ų186125.1 Ų125.187%0.86981%0.814SS**  trans7.1149.8151.2-59.3-163.29700123.9
206G30.6Very low36Very low81 Ų81123.9 Ų123.984%0.83581%0.813SS**  trans167.3109.1151.500000114.5
207A31.1Very low35.8Very low107 Ų107126.2 Ų126.288%0.88482%0.82SS**  trans-74.9165.5-170.400000116.9
208G29.9Very low35.9Very low74 Ų74126.6 Ų126.676%0.76382%0.823SS**  trans-73.5-140.7-179.700000115.7
209P52.9Low36Very low121 Ų121126.8 Ų126.879%0.78683%0.826SS**  cis-135.4178.1-5.139.1-19.8000115
210N33.8Very low35.4Very low154 Ų154119.4 Ų119.482%0.82482%0.82SS**  149.5131.5111.8-138.5-8.6000117.4
211A33Very low35.1Very low96 Ų96115.6 Ų115.679%0.79382%0.82SS**  trans40135.4150.400000125.8
212G32Very low35.2Very low80 Ų80121.2 Ų121.283%0.82583%0.829SS**  trans163.9110151.600000115.3
213S33.6Very low35.3Very low133 Ų133120 Ų12093%0.9382%0.823SS**  trans-79.3159.9-168.5-40.20000116.7
214G28.3Very low36Very low77 Ų77119.5 Ų119.579%0.79482%0.819SS**  trans148.5103.3150.100000119.6
215A29.8Very low36.3Very low105 Ų105119.1 Ų119.187%0.86882%0.817SS**  trans37.6118.2143.400000124.9
216A33.8Very low36.8Very low90 Ų90119.2 Ų119.274%0.74481%0.81SS**  trans26.5131.6134.900000125.2
217D37.2Very low36.9Very low165 Ų165125.3 Ų125.388%0.88281%0.814SS**  trans69.5108.9144.8-62-46000121.8
218A36.4Very low37.5Very low108 Ų108124.2 Ų124.289%0.89381%0.813SS**  trans-157.7144.9149.800000113.8
219D40.3Very low37.5Very low164 Ų164124.5 Ų124.588%0.87781%0.808SS**  trans-65.2154.4175.5171.9-117.5000115.4
220G44.3Very low37.1Very low70 Ų70125 Ų12572%0.72281%0.811SS**  trans48.6112148.600000121.9
221G34.5Very low37.3Very low82 Ų82128.1 Ų128.185%0.84581%0.812SS**  trans175137.4161.800000116.1
222R47.1Very low38.1Very low220 Ų220129.8 Ų129.883%0.8381%0.811SS**  trans-96.7148.8-167.6-65.1166.362.4173.3-0.6112.7
223Q40.2Very low38.7Very low162 Ų162130.9 Ų130.976%0.75780%0.798SS**  trans87.1113.9147.4-71.6173.397.400122
224A45.4Very low39.4Very low81 Ų81131.7 Ų131.767%0.66979%0.79SS**  trans70.8110.7130.600000121.1
225L35.9Very low40Very low146 Ų146132.6 Ų132.676%0.76479%0.791SS**  trans-158.3139.3135.5-145.575.3000112.1
226Y42.3Very low41Very low187 Ų187131.4 Ų131.473%0.73377%0.773SS**  trans-85.8130.5-171.37.2-93.9000111.1
227K33.1Very low42.2Very low210 Ų210135.4 Ų135.491%0.91378%0.776SS**  trans-161.9132.9151-132.3166.9178.6-171.20111.7
228G42.9Very low43.5Very low84 Ų84130.1 Ų130.187%0.86675%0.748SS**  trans-60.2131.9-171.800000114.1
229A30.7Very low45.3Very low80 Ų80126.3 Ų126.366%0.66171%0.713SS**  trans-157140154.400000107.3R231A229-R231 PolarHBondContact O-N 3.17Å
230P44.7Very low47.3Very low130 Ų130123.5 Ų123.584%0.84469%0.69SS**  trans-73.6100-178.731.3-30.2000107.7V232P230-V232 PolarHBondContact O-N 3.41Å
231R38.1Very low49.4Very low221 Ų221120.2 Ų120.283%0.83466%0.656SS**  trans-72109.9168.4-72.2-176.9139.6143.6-2.9106.9A229 I233A229-R231 PolarHBondContact O-N 3.17Å; R231-I233 HydrophobicContact CB-CG1 4.39Å; R231-I233 WeakPolarHBondContact O-CG1 3.34Å; R231-I233 PolarHBondContact O-N 2.83Å
232V49.2Very low51.8Low130 Ų130124.6 Ų124.679%0.78865%0.652SS**  trans-59.397.8154.7176.30000105.1P230 L234P230-V232 PolarHBondContact O-N 3.41Å; V232-L234 PolarHBondContact O-N 3.46Å
233I44.5Very low53.7Low104 Ų104117.2 Ų117.253%0.53363%0.629SS.*  trans-71.4102.6178.2-54.2179.1000105.4R231 A235 D239R231-I233 HydrophobicContact CB-CG1 4.39Å; R231-I233 WeakPolarHBondContact O-CG1 3.34Å; R231-I233 PolarHBondContact O-N 2.83Å; I233-A235 PolarHBondContact O-N 3.39Å; I233-A235 VanDerWaalsContact O-N 3.13Å; I233-D239 VanDerWaalsContact CG2-OD2 3.26Å; I233-D239 WeakPolarHBondContact CG2-OD2 3.25Å
234L48.1Very low55.8Low149 Ų149111 Ų11178%0.7860%0.602SS**  trans-53.4119.5161.7-88.174.6000106V232 T236V232-L234 PolarHBondContact O-N 3.46Å; L234-T236 PolarHBondContact O-N 3.37Å
235A41.6Very low57.8Low97 Ų97112.3 Ų112.380%0.80260%0.599SS**  trans-50.196.9-171.100000111.6I233I233-A235 PolarHBondContact O-N 3.39Å; I233-A235 VanDerWaalsContact O-N 3.13Å
236T51.8Low60Low80 Ų80106.7 Ų106.749%0.49157%0.573SS.*  trans-77.8145.1157.556.10000106.7L234 N238 D239L234-T236 PolarHBondContact O-N 3.37Å; T236-N238 PolarHBondContact O-N 3.42Å; T236-D239 PolarHBondContact O-N 3.48Å; T236-D239 VanDerWaalsContact O-N 3.14Å; T236-D239 PolarHBondContact OG1-OD2 3.28Å
237E59.1Low62.2Low173 Ų173102.4 Ų102.481%0.80857%0.571SS**THydrogen-bonded Turntrans-52.5-4.8-175.462.1-166.7146.200116Y258E237-Y258 PolarHBondContact O-OH 3.17Å
238N62.8Low64.7Low54 Ų5493.9 Ų93.929%0.28953%0.533SS..THydrogen-bonded Turntrans-91.2-11.8-177.9-57.578.1000113.9T236 L251 A254T236-N238 PolarHBondContact O-N 3.42Å; N238-L251 HydrophobicContact CB-CD1 3.64Å; N238-A254 WeakPolarHBondContact O-CB 3.33Å
239D75.3Confident66.4Low29 Ų2995 Ų9516%0.15553%0.528CS..SBendtrans-88.6-14.1-175.4-58.7-49.2000113.5I233 T236 S247 F248I233-D239 VanDerWaalsContact CG2-OD2 3.26Å; I233-D239 WeakPolarHBondContact CG2-OD2 3.25Å; T236-D239 PolarHBondContact O-N 3.48Å; T236-D239 VanDerWaalsContact O-N 3.14Å; T236-D239 PolarHBondContact OG1-OD2 3.28Å; D239-S247 WeakPolarHBondContact O-CA 3.25Å; D239-F248 PolarHBondContact O-N 3.47Å
240Y82.9Confident68.9Low105 Ų10593.4 Ų93.441%0.41251%0.512SS..EExtended strand (participates in β ladder)trans-141.9126.8-179.3-177.1-99.8000113.1K242 D245 A246 Y258Y240-K242 HydrophobicContact CD1-CG 3.83Å; Y240-K242 HydrophobicContact CE1-CB 4.25Å; Y240-K242 HydrophobicContact CE1-CG 3.77Å; Y240-D245 WeakPolarHBondContact OH-CA 3.28Å; Y240-D245 WeakPolarHBondContact OH-CB 3.37Å; Y240-D245 PolarHBondContact OH-OD1 3.2Å; Y240-A246 WeakPolarHBondContact CA-O 3.14Å; Y240-Y258 PolarHBondContact O-OH 3.46Å; Y240-Y258 VanDerWaalsContact O-OH 3.11Å
241C86.8Confident70.7Confident1 Ų191.5 Ų91.51%0.00749%0.494CS..EExtended strand (participates in β ladder)trans-94.8106173.5-176.60000111.1L243 C244 D245 A246 F248 H257 Y258 H263C241-L243 VanDerWaalsContact C-N 3.27Å; C241-L243 PolarHBondContact O-N 2.64Å; C241-C244 HydrophobicContact CB-CB 4.18Å; C241-C244 CarbonylContact O-C 3.44Å; C241-C244 PolarHBondContact O-N 3.43Å; C241-C244 PolarHBondContact SG-N 3.36Å; C241-C244 VanDerWaalsContact SG-N 3.42Å; C241-D245 VanDerWaalsContact O-CA 3.27Å; C241-D245 WeakPolarHBondContact O-CA 3.3Å; C241-D245 PolarHBondContact O-N 3.36Å; C241-A246 PolarHBondContact N-O 2.85Å; C241-A246 PolarHBondContact O-N 3.01Å; C241-F248 HydrophobicContact CB-CE2 3.94Å; C241-F248 HydrophobicContact CB-CZ 4.12Å; C241-H257 PolarHBondContact SG-NE2 3.33Å; C241-H257 VanDerWaalsContact SG-NE2 3.43Å; C241-Y258 WeakPolarHBondContact CA-OH 3.24Å; C241-Y258 HydrophobicContact CB-CE1 4.12Å; C241-H263 PolarHBondContact SG-CE1 3.3Å; C241-H263 PolarHBondContact SG-ND1 3.03Å
242K85.2Confident72.8Confident174 Ų17484.2 Ų84.276%0.75748%0.481SS*.THydrogen-bonded Turntrans-64.2-29.7176.2-61.3-179.7-179.2-179.80113.7Y240 C244Y240-K242 HydrophobicContact CD1-CG 3.83Å; Y240-K242 HydrophobicContact CE1-CB 4.25Å; Y240-K242 HydrophobicContact CE1-CG 3.77Å; K242-C244 VanDerWaalsContact C-N 3.31Å
243L86.7Confident74.6Confident64 Ų6481.4 Ų81.434%0.33546%0.464SS..THydrogen-bonded Turntrans-70.2-34.7177.7-66.6176.6000110.7C241 K266 L267 A270C241-L243 VanDerWaalsContact C-N 3.27Å; C241-L243 PolarHBondContact O-N 2.64Å; L243-K266 WeakPolarHBondContact O-CD 3.4Å; L243-K266 WeakPolarHBondContact O-CE 3.47Å; L243-K266 PolarHBondContact O-NZ 2.98Å; L243-L267 HydrophobicContact CD1-CB 4.34Å; L243-L267 HydrophobicContact CD1-CD1 3.4Å; L243-L267 HydrophobicContact CD1-CG 4.46Å; L243-A270 HydrophobicContact CD2-CB 4.12Å
244C85.3Confident76.5Confident31 Ų3176.4 Ų76.421%0.20944%0.439CS..THydrogen-bonded Turntrans-106.2-4.1-175.2-68.90000114.3C241 K242 A246 H257C241-C244 HydrophobicContact CB-CB 4.18Å; C241-C244 CarbonylContact O-C 3.44Å; C241-C244 PolarHBondContact O-N 3.43Å; C241-C244 PolarHBondContact SG-N 3.36Å; C241-C244 VanDerWaalsContact SG-N 3.42Å; K242-C244 VanDerWaalsContact C-N 3.31Å; C244-A246 HydrophobicContact CB-CB 4.26Å; C244-A246 PolarHBondContact O-N 3.21Å; C244-H257 VanDerWaalsContact CB-CE1 3.5Å; C244-H257 WeakPolarHBondContact CB-CE1 3.47Å; C244-H257 WeakPolarHBondContact CB-NE2 3.49Å; C244-H257 PolarHBondContact SG-NE2 3.49Å
245D86.1Confident78.3Confident110 Ų11074 Ų7459%0.58842%0.423SS*.THydrogen-bonded Turntrans44.747.2-169.3-59.8-48.4000113Y240 C241Y240-D245 WeakPolarHBondContact OH-CA 3.28Å; Y240-D245 WeakPolarHBondContact OH-CB 3.37Å; Y240-D245 PolarHBondContact OH-OD1 3.2Å; C241-D245 VanDerWaalsContact O-CA 3.27Å; C241-D245 WeakPolarHBondContact O-CA 3.3Å; C241-D245 PolarHBondContact O-N 3.36Å
246A83.9Confident80.5Confident27 Ų2772.5 Ų72.522%0.22341%0.411CS..EExtended strand (participates in β ladder)trans-120.7127.1-17600000110.4Y240 C241 C244 F248Y240-A246 WeakPolarHBondContact CA-O 3.14Å; C241-A246 PolarHBondContact N-O 2.85Å; C241-A246 PolarHBondContact O-N 3.01Å; C244-A246 HydrophobicContact CB-CB 4.26Å; C244-A246 PolarHBondContact O-N 3.21Å; A246-F248 HydrophobicContact CB-CE1 4.06Å; A246-F248 HydrophobicContact CB-CZ 3.8Å
247S87Confident82.5Confident98 Ų9870.7 Ų70.769%0.68540%0.397SS*.EExtended strand (participates in β ladder)trans-95.5147.4169.254.30000110.8D239D239-S247 WeakPolarHBondContact O-CA 3.25Å
248F85.3Confident83.9Confident30 Ų3065.9 Ų65.913%0.13237%0.372CS..  trans-117.8140.7-178.3-52.1-66.9000111.2D239 C241 A246 S250 V253 A254 H257 Y258D239-F248 PolarHBondContact O-N 3.47Å; C241-F248 HydrophobicContact CB-CE2 3.94Å; C241-F248 HydrophobicContact CB-CZ 4.12Å; A246-F248 HydrophobicContact CB-CE1 4.06Å; A246-F248 HydrophobicContact CB-CZ 3.8Å; F248-S250 VanDerWaalsContact C-N 3.28Å; F248-V253 HydrophobicContact CB-CG1 4.39Å; F248-V253 HydrophobicContact CD1-CG1 3.85Å; F248-V253 HydrophobicContact CG-CG1 4.47Å; F248-A254 HydrophobicContact CB-CB 3.9Å; F248-A254 HydrophobicContact CD2-CB 3.42Å; F248-A254 VanDerWaalsContact CD2-CB 3.42Å; F248-A254 HydrophobicContact CE2-CB 4.2Å; F248-A254 HydrophobicContact CG-CB 3.76Å; F248-H257 HydrophobicContact CD1-CB 4.33Å; F248-H257 HydrophobicContact CE1-CB 3.49Å; F248-H257 VanDerWaalsContact CE1-CB 3.49Å; F248-H257 AromaticContact CE1-CG 3.51Å; F248-H257 AromaticContact CE1-ND1 3.6Å; F248-H257 HydrophobicContact CE2-CB 4.16Å; F248-H257 AromaticContact CE2-CD2 3.97Å; F248-H257 HydrophobicContact CZ-CB 3.42Å; F248-H257 VanDerWaalsContact CZ-CB 3.42Å; F248-H257 AromaticContact CZ-CD2 3.34Å; F248-H257 WeakPolarHBondContact CZ-CD2 3.47Å; F248-H257 AromaticContact CZ-CE1 3.79Å; F248-H257 AromaticContact CZ-CG 3.1Å; F248-H257 AromaticContact CZ-ND1 3.42Å; F248-H257 WeakPolarHBondContact CZ-ND1 3.44Å; F248-H257 AromaticContact CZ-NE2 3.79Å; F248-Y258 HydrophobicContact CE2-CE2 4.49Å
249S80.6Confident85.1Confident109 Ų10970.8 Ų70.876%0.76239%0.393SS*.SBendtrans-79.9-9.3177.753.30000113.6
250S83.1Confident85.8Confident46 Ų4670.4 Ų70.432%0.32240%0.396SS..SBendtrans-159.8154.9175.464.80000112.4F248 A252 V253 A254F248-S250 VanDerWaalsContact C-N 3.28Å; S250-A252 VanDerWaalsContact C-N 3.29Å; S250-A252 PolarHBondContact O-N 2.83Å; S250-V253 PolarHBondContact O-N 3.06Å; S250-V253 VanDerWaalsContact O-N 3.13Å; S250-V253 VanDerWaalsContact OG-CG2 3.27Å; S250-V253 WeakPolarHBondContact OG-CG2 3.45Å; S250-A254 PolarHBondContact O-N 3.42Å
251L81.6Confident86.2Confident89 Ų8974.6 Ų74.647%0.46642%0.417SS..Hα-helixtrans-58.1-37.5178.2-177.163.7000113N238 V253 A254 Q255N238-L251 HydrophobicContact CB-CD1 3.64Å; L251-V253 VanDerWaalsContact C-N 3.32Å; L251-V253 PolarHBondContact O-N 2.58Å; L251-A254 WeakPolarHBondContact O-CB 3.25Å; L251-A254 PolarHBondContact O-N 3.49Å; L251-Q255 HydrophobicContact CD1-CG 4.48Å; L251-Q255 HydrophobicContact CG-CG 4.5Å; L251-Q255 WeakPolarHBondContact O-CB 3.4Å; L251-Q255 WeakPolarHBondContact O-CG 3.29Å; L251-Q255 PolarHBondContact O-N 2.86Å
252A83.2Confident86.2Confident68 Ų6881.1 Ų81.156%0.56245%0.451SS*.Hα-helixtrans-63.6-39178.300000111.9S250 Q255 A256S250-A252 VanDerWaalsContact C-N 3.29Å; S250-A252 PolarHBondContact O-N 2.83Å; A252-Q255 PolarHBondContact O-N 2.96Å; A252-A256 WeakPolarHBondContact O-CB 3.46Å; A252-A256 PolarHBondContact O-N 3.16Å
253V85.5Confident86.5Confident71 Ų7173.5 Ų73.543%0.4342%0.419SS..Hα-helixtrans-70.5-40.9177176.70000110.7F248 S250 L251 A256 H257F248-V253 HydrophobicContact CB-CG1 4.39Å; F248-V253 HydrophobicContact CD1-CG1 3.85Å; F248-V253 HydrophobicContact CG-CG1 4.47Å; S250-V253 PolarHBondContact O-N 3.06Å; S250-V253 VanDerWaalsContact O-N 3.13Å; S250-V253 VanDerWaalsContact OG-CG2 3.27Å; S250-V253 WeakPolarHBondContact OG-CG2 3.45Å; L251-V253 VanDerWaalsContact C-N 3.32Å; L251-V253 PolarHBondContact O-N 2.58Å; V253-A256 PolarHBondContact O-N 3.37Å; V253-H257 PolarHBondContact O-N 3.48Å
254A84.7Confident86.6Confident0 Ų072.4 Ų72.40%042%0.418CS..Hα-helixtrans-59.4-46.8173.200000112.2N238 F248 S250 L251 A256 H257 Y258N238-A254 WeakPolarHBondContact O-CB 3.33Å; F248-A254 HydrophobicContact CB-CB 3.9Å; F248-A254 HydrophobicContact CD2-CB 3.42Å; F248-A254 VanDerWaalsContact CD2-CB 3.42Å; F248-A254 HydrophobicContact CE2-CB 4.2Å; F248-A254 HydrophobicContact CG-CB 3.76Å; S250-A254 PolarHBondContact O-N 3.42Å; L251-A254 WeakPolarHBondContact O-CB 3.25Å; L251-A254 PolarHBondContact O-N 3.49Å; A254-A256 VanDerWaalsContact C-N 3.33Å; A254-A256 PolarHBondContact O-N 2.97Å; A254-H257 WeakPolarHBondContact O-CA 3.06Å; A254-H257 WeakPolarHBondContact O-CB 3.49Å; A254-H257 PolarHBondContact O-N 3.33Å; A254-H257 VanDerWaalsContact O-N 3.09Å; A254-Y258 HydrophobicContact CB-CE2 4.39Å; A254-Y258 WeakPolarHBondContact O-CD2 3.16Å; A254-Y258 PolarHBondContact O-N 2.93Å
255Q85.2Confident86.9Confident98 Ų9877.9 Ų77.946%0.45844%0.439SS..Hα-helixtrans-60.5-42.1177.5-76.8-178.5-12.200112L251 A252 H257 Y258 Q259L251-Q255 HydrophobicContact CD1-CG 4.48Å; L251-Q255 HydrophobicContact CG-CG 4.5Å; L251-Q255 WeakPolarHBondContact O-CB 3.4Å; L251-Q255 WeakPolarHBondContact O-CG 3.29Å; L251-Q255 PolarHBondContact O-N 2.86Å; A252-Q255 PolarHBondContact O-N 2.96Å; Q255-H257 VanDerWaalsContact C-N 3.29Å; Q255-H257 PolarHBondContact O-N 3.36Å; Q255-Y258 PolarHBondContact O-N 2.76Å; Q255-Q259 WeakPolarHBondContact O-CB 3.38Å; Q255-Q259 WeakPolarHBondContact O-CG 3.35Å; Q255-Q259 PolarHBondContact O-N 3.5Å; Q255-Q259 VanDerWaalsContact O-N 3.13Å; Q255-Q259 PolarHBondContact O-NE2 3.23Å
256A89.6Confident87Confident65 Ų6577 Ų7754%0.53743%0.43SS..Hα-helixtrans-64.4-34.9175.100000112.2A252 V253 A254 G260A252-A256 WeakPolarHBondContact O-CB 3.46Å; A252-A256 PolarHBondContact O-N 3.16Å; V253-A256 PolarHBondContact O-N 3.37Å; A254-A256 VanDerWaalsContact C-N 3.33Å; A254-A256 PolarHBondContact O-N 2.97Å; A256-G260 PolarHBondContact O-N 3.33Å; A256-G260 VanDerWaalsContact O-N 3.17Å
257H92Very high87.3Confident42 Ų4278.8 Ų78.819%0.19444%0.435CS..Hα-helixtrans-64.9-51.8174.1175.394.6000112.1C241 C244 F248 V253 A254 Q255 Q259 G260 H263C241-H257 PolarHBondContact SG-NE2 3.33Å; C241-H257 VanDerWaalsContact SG-NE2 3.43Å; C244-H257 VanDerWaalsContact CB-CE1 3.5Å; C244-H257 WeakPolarHBondContact CB-CE1 3.47Å; C244-H257 WeakPolarHBondContact CB-NE2 3.49Å; C244-H257 PolarHBondContact SG-NE2 3.49Å; F248-H257 HydrophobicContact CD1-CB 4.33Å; F248-H257 HydrophobicContact CE1-CB 3.49Å; F248-H257 VanDerWaalsContact CE1-CB 3.49Å; F248-H257 AromaticContact CE1-CG 3.51Å; F248-H257 AromaticContact CE1-ND1 3.6Å; F248-H257 HydrophobicContact CE2-CB 4.16Å; F248-H257 AromaticContact CE2-CD2 3.97Å; F248-H257 HydrophobicContact CZ-CB 3.42Å; F248-H257 VanDerWaalsContact CZ-CB 3.42Å; F248-H257 AromaticContact CZ-CD2 3.34Å; F248-H257 WeakPolarHBondContact CZ-CD2 3.47Å; F248-H257 AromaticContact CZ-CE1 3.79Å; F248-H257 AromaticContact CZ-CG 3.1Å; F248-H257 AromaticContact CZ-ND1 3.42Å; F248-H257 WeakPolarHBondContact CZ-ND1 3.44Å; F248-H257 AromaticContact CZ-NE2 3.79Å; V253-H257 PolarHBondContact O-N 3.48Å; A254-H257 WeakPolarHBondContact O-CA 3.06Å; A254-H257 WeakPolarHBondContact O-CB 3.49Å; A254-H257 PolarHBondContact O-N 3.33Å; A254-H257 VanDerWaalsContact O-N 3.09Å; Q255-H257 VanDerWaalsContact C-N 3.29Å; Q255-H257 PolarHBondContact O-N 3.36Å; H257-Q259 VanDerWaalsContact C-N 3.27Å; H257-Q259 PolarHBondContact O-N 3Å; H257-G260 WeakPolarHBondContact O-CA 3.48Å; H257-G260 PolarHBondContact O-N 3.15Å; H257-H263 AromaticContact CD2-ND1 3.75Å; H257-H263 AromaticContact NE2-CG 3.9Å; H257-H263 AromaticContact NE2-ND1 3.31Å; H257-H263 PolarHBondContact NE2-ND1 2.79Å; H257-H263 WeakPolarHBondContact O-CB 3.15Å
258Y89.1Confident87.4Confident72 Ų7283 Ų8328%0.28244%0.436SS..Hα-helixtrans-62.8-32.8-177.8-75.1-65.7000112.8E237 Y240 C241 F248 A254 Q255 G260 H263E237-Y258 PolarHBondContact O-OH 3.17Å; Y240-Y258 PolarHBondContact O-OH 3.46Å; Y240-Y258 VanDerWaalsContact O-OH 3.11Å; C241-Y258 WeakPolarHBondContact CA-OH 3.24Å; C241-Y258 HydrophobicContact CB-CE1 4.12Å; F248-Y258 HydrophobicContact CE2-CE2 4.49Å; A254-Y258 HydrophobicContact CB-CE2 4.39Å; A254-Y258 WeakPolarHBondContact O-CD2 3.16Å; A254-Y258 PolarHBondContact O-N 2.93Å; Q255-Y258 PolarHBondContact O-N 2.76Å; Y258-G260 VanDerWaalsContact C-N 3.29Å; Y258-H263 AromaticContact CD1-CE1 3.68Å; Y258-H263 AromaticContact CD1-NE2 3.58Å; Y258-H263 AromaticContact CE1-CE1 3.85Å; Y258-H263 PolarHBondContact O-CD2 3.45Å
259Q88.5Confident87.5Confident157 Ų15786.5 Ų86.573%0.73446%0.455SS*.THydrogen-bonded Turntrans-85.4-1.4175-66.3167.787.100113.2Q255 H257Q255-Q259 WeakPolarHBondContact O-CB 3.38Å; Q255-Q259 WeakPolarHBondContact O-CG 3.35Å; Q255-Q259 PolarHBondContact O-N 3.5Å; Q255-Q259 VanDerWaalsContact O-N 3.13Å; Q255-Q259 PolarHBondContact O-NE2 3.23Å; H257-Q259 VanDerWaalsContact C-N 3.27Å; H257-Q259 PolarHBondContact O-N 3Å
260G90.3Very high87.9Confident22 Ų2282.6 Ų82.623%0.22743%0.43CS..SBendtrans-77.7148.9-174.900000114A256 H257 Y258 N262 H263 A264A256-G260 PolarHBondContact O-N 3.33Å; A256-G260 VanDerWaalsContact O-N 3.17Å; H257-G260 WeakPolarHBondContact O-CA 3.48Å; H257-G260 PolarHBondContact O-N 3.15Å; Y258-G260 VanDerWaalsContact C-N 3.29Å; G260-N262 PolarHBondContact O-N 3.42Å; G260-H263 PolarHBondContact O-N 2.78Å; G260-A264 PolarHBondContact O-N 3.47Å
261K89.9Confident88.1Confident193 Ų19384.6 Ų84.684%0.83943%0.434SS*.Hα-helixtrans-60.3-27177.6-61.9179.3-177.6177.60113.4K265K261-K265 PolarHBondContact O-N 2.89Å
262N88.6Confident88.3Confident137 Ų13783.5 Ų83.573%0.73344%0.437SS*.Hα-helixtrans-73.3-46.3177.5-70.1-59.5000112G260 K265 K266G260-N262 PolarHBondContact O-N 3.42Å; N262-K265 PolarHBondContact O-N 3.24Å; N262-K266 PolarHBondContact O-N 3.35Å; N262-K266 VanDerWaalsContact O-N 3.15Å
263H89.6Confident88.3Confident15 Ų1586.6 Ų86.67%0.06944%0.441CS..Hα-helixtrans-62.8-46176-17678000110.5C241 H257 Y258 G260 K265 K266 L267C241-H263 PolarHBondContact SG-CE1 3.3Å; C241-H263 PolarHBondContact SG-ND1 3.03Å; H257-H263 AromaticContact CD2-ND1 3.75Å; H257-H263 AromaticContact NE2-CG 3.9Å; H257-H263 AromaticContact NE2-ND1 3.31Å; H257-H263 PolarHBondContact NE2-ND1 2.79Å; H257-H263 WeakPolarHBondContact O-CB 3.15Å; Y258-H263 AromaticContact CD1-CE1 3.68Å; Y258-H263 AromaticContact CD1-NE2 3.58Å; Y258-H263 AromaticContact CE1-CE1 3.85Å; Y258-H263 PolarHBondContact O-CD2 3.45Å; G260-H263 PolarHBondContact O-N 2.78Å; H263-K265 VanDerWaalsContact C-N 3.26Å; H263-K265 PolarHBondContact O-N 3.36Å; H263-K266 PolarHBondContact O-N 3.46Å; H263-K266 VanDerWaalsContact O-N 3.07Å; H263-L267 WeakPolarHBondContact O-CB 3.37Å; H263-L267 PolarHBondContact O-N 3.13Å
264A89.8Confident87.9Confident40 Ų4088.8 Ų88.833%0.33145%0.446SS..Hα-helixtrans-57.3-35.2176.200000113.7G260 R268G260-A264 PolarHBondContact O-N 3.47Å; A264-R268 WeakPolarHBondContact O-CG 3.23Å; A264-R268 PolarHBondContact O-N 3.05Å
265K92.3Very high87.3Confident147 Ų14795 Ų9564%0.63948%0.479SS*.Hα-helixtrans-70.7-41.9176.1-173.1-178.9177.5-173.30111.8K261 N262 H263 L269K261-K265 PolarHBondContact O-N 2.89Å; N262-K265 PolarHBondContact O-N 3.24Å; H263-K265 VanDerWaalsContact C-N 3.26Å; H263-K265 PolarHBondContact O-N 3.36Å; K265-L269 WeakPolarHBondContact O-CG 3.41Å; K265-L269 PolarHBondContact O-N 3.17Å
266K87.6Confident86.4Confident91 Ų9194.4 Ų94.440%0.39649%0.486SS..Hα-helixtrans-69.8-37.1-179.7-155.2169.5-177.8-163.10111.1L243 N262 H263 L269 A270L243-K266 WeakPolarHBondContact O-CD 3.4Å; L243-K266 WeakPolarHBondContact O-CE 3.47Å; L243-K266 PolarHBondContact O-NZ 2.98Å; N262-K266 PolarHBondContact O-N 3.35Å; N262-K266 VanDerWaalsContact O-N 3.15Å; H263-K266 PolarHBondContact O-N 3.46Å; H263-K266 VanDerWaalsContact O-N 3.07Å; K266-L269 PolarHBondContact O-N 3.31Å; K266-A270 WeakPolarHBondContact O-CB 3.5Å; K266-A270 PolarHBondContact O-N 2.89Å
267L89.9Confident85.2Confident64 Ų6495.4 Ų95.434%0.33549%0.489SS..Hα-helixtrans-58-52.3173.5-175.865.5000111.8L243 H263 L269 A270 E271L243-L267 HydrophobicContact CD1-CB 4.34Å; L243-L267 HydrophobicContact CD1-CD1 3.4Å; L243-L267 HydrophobicContact CD1-CG 4.46Å; H263-L267 WeakPolarHBondContact O-CB 3.37Å; H263-L267 PolarHBondContact O-N 3.13Å; L267-L269 VanDerWaalsContact C-N 3.27Å; L267-L269 PolarHBondContact O-N 3.47Å; L267-A270 PolarHBondContact O-N 3.35Å; L267-A270 VanDerWaalsContact O-N 3.14Å; L267-E271 HydrophobicContact CD1-CG 4.42Å; L267-E271 HydrophobicContact CG-CG 4.44Å; L267-E271 WeakPolarHBondContact O-CG 3.47Å; L267-E271 PolarHBondContact O-N 3.2Å
268R90Very high83.7Confident188 Ų18899.9 Ų99.971%0.70951%0.514SS*.Hα-helixtrans-60.1-34179.4-73.2179.1-176.1163.72.1114.1A264 A272A264-R268 WeakPolarHBondContact O-CG 3.23Å; A264-R268 PolarHBondContact O-N 3.05Å; R268-A272 PolarHBondContact O-N 2.9Å; R268-A272 VanDerWaalsContact O-N 3.12Å
269L87.3Confident82.2Confident103 Ų103104.6 Ų104.654%0.53954%0.541SS..Hα-helixtrans-72.2-43.6177.1-70.7171.9000111.1K265 K266 L267 E271 A272 Q273K265-L269 WeakPolarHBondContact O-CG 3.41Å; K265-L269 PolarHBondContact O-N 3.17Å; K266-L269 PolarHBondContact O-N 3.31Å; L267-L269 VanDerWaalsContact C-N 3.27Å; L267-L269 PolarHBondContact O-N 3.47Å; L269-E271 VanDerWaalsContact C-N 3.3Å; L269-E271 PolarHBondContact O-N 2.77Å; L269-A272 PolarHBondContact O-N 2.93Å; L269-Q273 WeakPolarHBondContact O-CG 3.49Å; L269-Q273 PolarHBondContact O-N 3.36Å; L269-Q273 VanDerWaalsContact O-N 3.08Å
270A87.7Confident80.4Confident27 Ų27106 Ų10622%0.22355%0.548CS..Hα-helixtrans-62.4-38.9174.500000111.5L243 K266 L267 A272 Q273 Q274L243-A270 HydrophobicContact CD2-CB 4.12Å; K266-A270 WeakPolarHBondContact O-CB 3.5Å; K266-A270 PolarHBondContact O-N 2.89Å; L267-A270 PolarHBondContact O-N 3.35Å; L267-A270 VanDerWaalsContact O-N 3.14Å; A270-A272 PolarHBondContact O-N 3.42Å; A270-Q273 PolarHBondContact O-N 3.32Å; A270-Q274 PolarHBondContact O-N 3.34Å
271E88.6Confident78.5Confident88 Ų88107.9 Ų107.941%0.41157%0.566SS.*Hα-helixtrans-64.9-37.3175.8-71.6175.6132.300113L267 L269 Q273 Q274 N275L267-E271 HydrophobicContact CD1-CG 4.42Å; L267-E271 HydrophobicContact CG-CG 4.44Å; L267-E271 WeakPolarHBondContact O-CG 3.47Å; L267-E271 PolarHBondContact O-N 3.2Å; L269-E271 VanDerWaalsContact C-N 3.3Å; L269-E271 PolarHBondContact O-N 2.77Å; E271-Q273 VanDerWaalsContact C-N 3.32Å; E271-Q274 VanDerWaalsContact O-CG 3.3Å; E271-Q274 WeakPolarHBondContact O-CG 3.49Å; E271-N275 WeakPolarHBondContact O-CB 3.47Å; E271-N275 PolarHBondContact O-N 2.73Å
272A85.8Confident76.4Confident65 Ų65104.4 Ų104.454%0.53757%0.567SS.*Hα-helixtrans-68.2-34.2173.900000112R268 L269 A270R268-A272 PolarHBondContact O-N 2.9Å; R268-A272 VanDerWaalsContact O-N 3.12Å; L269-A272 PolarHBondContact O-N 2.93Å; A270-A272 PolarHBondContact O-N 3.42Å
273Q83.1Confident74.4Confident134 Ų134104.7 Ų104.763%0.62657%0.568SS**Hα-helixtrans-75.3-43.4178.4-71178.5-46.100112.2L269 A270 E271 N275 S276 S277L269-Q273 WeakPolarHBondContact O-CG 3.49Å; L269-Q273 PolarHBondContact O-N 3.36Å; L269-Q273 VanDerWaalsContact O-N 3.08Å; A270-Q273 PolarHBondContact O-N 3.32Å; E271-Q273 VanDerWaalsContact C-N 3.32Å; Q273-N275 VanDerWaalsContact C-N 3.25Å; Q273-N275 PolarHBondContact O-N 3.12Å; Q273-S276 PolarHBondContact O-N 2.73Å; Q273-S276 PolarHBondContact O-OG 3.37Å; Q273-S277 PolarHBondContact O-N 2.92Å
274Q75.8Confident72.4Confident116 Ų116111.9 Ų111.954%0.54260%0.602SS.*Hα-helixtrans-64.2-31.8177.374.1-172.1-1.400112.3A270 E271 S276 S277 N278A270-Q274 PolarHBondContact O-N 3.34Å; E271-Q274 VanDerWaalsContact O-CG 3.3Å; E271-Q274 WeakPolarHBondContact O-CG 3.49Å; Q274-S276 PolarHBondContact O-N 2.95Å; Q274-S277 WeakPolarHBondContact CA-OG 3.33Å; Q274-S277 PolarHBondContact O-N 3.48Å; Q274-S277 PolarHBondContact O-OG 2.95Å; Q274-N278 PolarHBondContact O-N 3.41Å
275N72.9Confident70Confident130 Ų130113.6 Ų113.670%0.69562%0.624SS**Hα-helixtrans-68.2-24.3175.9-169.762.3000112.3E271 Q273E271-N275 WeakPolarHBondContact O-CB 3.47Å; E271-N275 PolarHBondContact O-N 2.73Å; Q273-N275 VanDerWaalsContact C-N 3.25Å; Q273-N275 PolarHBondContact O-N 3.12Å
276S65.1Low67.7Low87 Ų87111.4 Ų111.461%0.60863%0.633SS**Hα-helixtrans-82.5-28.3174.369.10000113.4Q273 Q274Q273-S276 PolarHBondContact O-N 2.73Å; Q273-S276 PolarHBondContact O-OG 3.37Å; Q274-S276 PolarHBondContact O-N 2.95Å
277S66Low65.8Low85 Ų85112.9 Ų112.959%0.59465%0.651SS**Hα-helixtrans-83.3-20.617957.50000114Q273 Q274 M279Q273-S277 PolarHBondContact O-N 2.92Å; Q274-S277 WeakPolarHBondContact CA-OG 3.33Å; Q274-S277 PolarHBondContact O-N 3.48Å; Q274-S277 PolarHBondContact O-OG 2.95Å; S277-M279 VanDerWaalsContact C-N 3.29Å; S277-M279 PolarHBondContact O-N 3.5Å
278N60.6Low64Low137 Ų137121.8 Ų121.873%0.73368%0.681SS**THydrogen-bonded Turntrans-832.2-177.6-156.815000114.4Q274Q274-N278 PolarHBondContact O-N 3.41Å
279M56.4Low61.6Low170 Ų170122.6 Ų122.684%0.83769%0.689SS**THydrogen-bonded Turntrans-97.3-9.1179.5-160.9168.4139.900113.5S277S277-M279 VanDerWaalsContact C-N 3.29Å; S277-M279 PolarHBondContact O-N 3.5Å
280E51.3Low59.7Low188 Ų188125.6 Ų125.688%0.87971%0.706SS**SBendtrans-102.825.5178.3-78.6-77.5105.600112.5
281G50.4Low57.3Low60 Ų60135.8 Ų135.862%0.61974%0.739SS**SBendtrans-129.86.4-171.900000116.4
282S45.8Very low55.6Low121 Ų121139.6 Ų139.685%0.84675%0.754SS**  trans-142.396.8178.8-75.40000110.7
283N46.8Very low53.4Low143 Ų143142.9 Ų142.977%0.76576%0.762SS**  trans-104.6148.8156.7-170.620.3000109.5
284E47.6Very low51.7Low166 Ų166140.2 Ų140.278%0.77677%0.771SS**  trans108.492.2169.6-54.4-58.911100115.7
285G39.7Very low49.9Very low76 Ų76142.4 Ų142.478%0.78479%0.786SS**  trans156.551.9158.400000122.2
286A43.5Very low48.3Very low101 Ų101142.5 Ų142.584%0.83578%0.783SS**  trans67.4171.3149.200000121
287P47.6Very low46.8Very low121 Ų121146.4 Ų146.479%0.78679%0.785SS**  -113164.1-80.335-21.9000113.7K289P287-K289 PolarHBondContact O-N 3.37Å
288R51.8Low45.8Very low251 Ų251153.2 Ų153.295%0.94780%0.798SS**  trans-51.4129.9174.3-67.6-173.5172.5167.1-0.8112.5
289K39.8Very low45.2Very low206 Ų206152.1 Ų152.190%0.89679%0.791SS**  trans-107.6114.5148.6-83.7-176.1176.6174.20109.3P287 R291P287-K289 PolarHBondContact O-N 3.37Å; K289-R291 PolarHBondContact O-N 2.91Å
290N46.7Very low44.4Very low165 Ų165149.4 Ų149.488%0.88278%0.784SS**  trans-65116.3164-155.99.1000107.3
291R37.8Very low43.9Very low242 Ų242147.9 Ų147.991%0.91378%0.775SS**  trans-133.5114.2162.2-147.6173.5-172.6168.11.3109.4K289K289-R291 PolarHBondContact O-N 2.91Å
292K52.1Low43.3Very low168 Ų168152 Ų15273%0.7378%0.783SS**  trans-65.2166.5179.6-165.9177.2155.1165.60111.1
293D40.9Very low43.2Very low133 Ų133156.4 Ų156.471%0.71178%0.781SS**  trans94.299.7158.4-52-61.8000116.5
294G46.7Very low43.1Very low79 Ų79159.8 Ų159.881%0.81478%0.783SS**  trans49.3101.8134.500000118
295N38.7Very low42.3Very low161 Ų161157.8 Ų157.886%0.86179%0.787SS**  trans-117.195.4150.8-145.518.3000108.2Y297N295-Y297 PolarHBondContact O-N 3.48Å
296E38.4Very low43Very low133 Ų133159 Ų15962%0.62178%0.781SS**  trans-48.3137.1164.8-93.8-147.9120.100109.3R298E296-R298 PolarHBondContact O-N 3.24Å
297Y34.4Very low42.8Very low169 Ų169163.2 Ų163.266%0.66378%0.783SS**  trans-38.5101156.663.2-73.9000109.7N295 L299N295-Y297 PolarHBondContact O-N 3.48Å; Y297-L299 HydrophobicContact CD2-CB 4.01Å; Y297-L299 HydrophobicContact CE2-CB 4.42Å; Y297-L299 PolarHBondContact O-N 3.06Å
298R44.3Very low42.5Very low227 Ų227165.3 Ų165.386%0.85779%0.787SS**  trans-74.681.7159.4-69.9-170.286.1103.7-3.6106.5E296 V300E296-R298 PolarHBondContact O-N 3.24Å; R298-V300 VanDerWaalsContact C-N 3.25Å; R298-V300 PolarHBondContact O-N 3.17Å
299L49.5Very low42.2Very low114 Ų114159.3 Ų159.360%0.59778%0.781SS**  trans-57.197.2157.8178.571.8000106.2Y297 K301Y297-L299 HydrophobicContact CD2-CB 4.01Å; Y297-L299 HydrophobicContact CE2-CB 4.42Å; Y297-L299 PolarHBondContact O-N 3.06Å; L299-K301 HydrophobicContact CD2-CD 4.44Å; L299-K301 HydrophobicContact CD2-CG 3.9Å; L299-K301 HydrophobicContact CG-CG 3.99Å; L299-K301 PolarHBondContact O-N 2.92Å
300V39.5Very low42.4Very low114 Ų114154.1 Ų154.169%0.69178%0.777SS**  trans-66.294.6168.9-174.90000106.3R298 N302R298-V300 VanDerWaalsContact C-N 3.25Å; R298-V300 PolarHBondContact O-N 3.17Å; V300-N302 VanDerWaalsContact C-N 3.34Å; V300-N302 VanDerWaalsContact CG1-OD1 3.26Å; V300-N302 WeakPolarHBondContact CG1-OD1 3.24Å; V300-N302 PolarHBondContact O-N 3.27Å; V300-N302 VanDerWaalsContact O-N 3.08Å
301K40.1Very low42.5Very low155 Ų155151 Ų15167%0.67477%0.773SS**  trans-72.291.1168.6-64.3171.3-175.5173.70106.8L299 R303L299-K301 HydrophobicContact CD2-CD 4.44Å; L299-K301 HydrophobicContact CD2-CG 3.9Å; L299-K301 HydrophobicContact CG-CG 3.99Å; L299-K301 PolarHBondContact O-N 2.92Å; K301-R303 PolarHBondContact O-N 2.78Å
302N38.4Very low43.4Very low147 Ų147147.5 Ų147.579%0.78677%0.769SS**  trans-64.3100.1166.2-80.944.3000108.9V300V300-N302 VanDerWaalsContact C-N 3.34Å; V300-N302 VanDerWaalsContact CG1-OD1 3.26Å; V300-N302 WeakPolarHBondContact CG1-OD1 3.24Å; V300-N302 PolarHBondContact O-N 3.27Å; V300-N302 VanDerWaalsContact O-N 3.08Å
303R42.4Very low43.2Very low213 Ų213145.6 Ų145.680%0.80477%0.774SS**  trans-85.7112.3168.7-75.8-169.7-170.9-151.33.5110.1K301K301-R303 PolarHBondContact O-N 2.78Å
304R45.3Very low43.5Very low215 Ų215141.9 Ų141.981%0.81177%0.767SS**  trans62120.7143.3-60.9-178-169.3-1340119.2
305S31.6Very low44Very low124 Ų124144.8 Ų144.887%0.86777%0.771SS**  -142.3131.5109.9-76.70000109.9
306P53.1Low44.6Very low101 Ų101148 Ų14866%0.65677%0.773SS**  trans-105.2113-17434.7-23.1000111.4
307Q39.4Very low44.8Very low189 Ų189151.3 Ų151.388%0.88378%0.781SS**  trans-156.994.1159.7-71.8-60.2-23.900108.7
308L42Very low45.2Very low166 Ų166150.2 Ų150.287%0.86979%0.787SS**  trans-133135.6151.4-82.9-178.6000108.3
309P45.4Very low45.4Very low124 Ų124143.7 Ų143.781%0.80577%0.774SS**PPolyproline II helixtrans-70.2147.3-173.6-13.128.6000111.9A311P309-A311 PolarHBondContact O-N 2.92Å
310A44.1Very low45.4Very low98 Ų98148.3 Ų148.381%0.8178%0.784SS**PPolyproline II helixtrans-53.5118.5175.600000111.7
311A47.5Very low45.9Very low98 Ų98148.7 Ų148.781%0.8179%0.788SS**PPolyproline II helixtrans-84.4120.1162.800000108.4P309P309-A311 PolarHBondContact O-N 2.92Å
312M58.3Low46.5Very low170 Ų170152.5 Ų152.584%0.83780%0.799SS**PPolyproline II helixtrans-58.1141.5-178.4-65.2-72.2-75.900112.5G314M312-G314 PolarHBondContact O-N 3.07Å
313P47.3Very low47.4Very low128 Ų128153.3 Ų153.383%0.83180%0.798SS**  trans-81.2102.8172.330.7-28.4000110.1
314G47.8Very low47.9Very low54 Ų54153.9 Ų153.956%0.55780%0.8SS**  trans-77.6148166.300000111.4M312 Y316M312-G314 PolarHBondContact O-N 3.07Å; G314-Y316 VanDerWaalsContact C-N 3.27Å; G314-Y316 PolarHBondContact O-N 2.94Å
315P56.6Low48.4Very low140 Ų140146.8 Ų146.891%0.90978%0.777SS**THydrogen-bonded Turntrans-81.217.7-162.932.7-35.5000115.8
316Y51.9Low49.8Very low230 Ų230143.3 Ų143.390%0.90275%0.752SS**THydrogen-bonded Turntrans-153.960.6175.9-147.4-94.7000113.2G314G314-Y316 VanDerWaalsContact C-N 3.27Å; G314-Y316 PolarHBondContact O-N 2.94Å
317Y41.6Very low50.1Low201 Ų201148.4 Ų148.479%0.78876%0.758SS**  trans-145.7106.5156.6-160.6-103.4000109.2P319Y317-P319 HydrophobicContact CD1-CB 4.3Å; Y317-P319 HydrophobicContact CD1-CG 4.43Å; Y317-P319 HydrophobicContact CE1-CB 4.04Å; Y317-P319 WeakPolarHBondContact O-CD 3.36Å
318N43.5Very low51.1Low146 Ų146145.6 Ų145.678%0.78175%0.749SS**  trans-99.994.4175.9-151.5-19.3000106.6R320N318-R320 PolarHBondContact O-N 3.05Å
319P48.9Very low52.2Low91 Ų91138.6 Ų138.659%0.59171%0.712SS**  trans-7482.6172.331.1-31.2000107Y317Y317-P319 HydrophobicContact CD1-CB 4.3Å; Y317-P319 HydrophobicContact CD1-CG 4.43Å; Y317-P319 HydrophobicContact CE1-CB 4.04Å; Y317-P319 WeakPolarHBondContact O-CD 3.36Å
320R49.6Very low52.9Low211 Ų211135.2 Ų135.280%0.79670%0.695SS**  trans-51.8130.5158.1-83.1-174.6-179.8-120.21.8106.1N318 R322N318-R320 PolarHBondContact O-N 3.05Å; R320-R322 PolarHBondContact O-N 3.24Å
321P47.9Very low54Low121 Ų121139 Ų13979%0.78670%0.698SS**  trans-67.192.1173.327.8-30.4000106.1Q323P321-Q323 PolarHBondContact O-N 3.21Å
322R53.3Low55.3Low236 Ų236135.7 Ų135.789%0.89167%0.669SS**  trans-61.399.9155.9-78.3-162.4-163.6-108.75.6103.4R320 R324R320-R322 PolarHBondContact O-N 3.24Å; R322-R324 PolarHBondContact O-N 3.17Å
323Q57.1Low56.3Low164 Ų164129.7 Ų129.777%0.76664%0.642SS**  trans-40.3114.4160.8-89.5-177.4-29.800105.3P321 I325P321-Q323 PolarHBondContact O-N 3.21Å; Q323-I325 PolarHBondContact O-N 3.15Å
324R52.8Low57.7Low225 Ų225125.6 Ų125.685%0.84961%0.614SS**  trans-63.796.8-175.8-170.7-171.4-142.7-139.68.7105.2R322 P326R322-R324 PolarHBondContact O-N 3.17Å; R324-P326 WeakPolarHBondContact O-CD 3.39Å; R324-P326 VanDerWaalsContact O-N 3.08Å
325I55.8Low58.8Low66 Ų66130.1 Ų130.134%0.33863%0.634SS.*  trans-48.5122.3175.1-60.3172.1000104.8Q323 R327 L329 V333Q323-I325 PolarHBondContact O-N 3.15Å; I325-R327 PolarHBondContact O-N 3.07Å; I325-L329 HydrophobicContact CG2-CB 3.5Å; I325-L329 VanDerWaalsContact CG2-CB 3.5Å; I325-V333 HydrophobicContact CD1-CG2 4.21Å; I325-V333 HydrophobicContact CG2-CG2 4.38Å
326P61Low59.6Low51 Ų51127.6 Ų127.633%0.33162%0.62SS.*  trans-47.5138.9179.3-29.135.2000109.5R324 D328 L329 A330R324-P326 WeakPolarHBondContact O-CD 3.39Å; R324-P326 VanDerWaalsContact O-N 3.08Å; P326-D328 PolarHBondContact O-N 3.35Å; P326-L329 PolarHBondContact O-N 3.29Å; P326-A330 PolarHBondContact O-N 3.21Å
327R60.6Low60.8Low207 Ų207118.9 Ų118.978%0.78160%0.599SS**Hα-helixtrans-53-27.9-172.6-175.7176.5-87.5176.7-8112I325I325-R327 PolarHBondContact O-N 3.07Å
328D60.4Low62.6Low131 Ų131114 Ų11470%0.70158%0.584SS**Hα-helixtrans-76.4-23.7179.7-48.5-42.8000113.6P326P326-D328 PolarHBondContact O-N 3.35Å
329L65Low64.8Low18 Ų18107.8 Ų107.89%0.09455%0.55CS..Hα-helixtrans-89.3-24.8174.4-92.768.3000112.4I325 P326 M331 C332 V333 F339 E351 R355 L358I325-L329 HydrophobicContact CG2-CB 3.5Å; I325-L329 VanDerWaalsContact CG2-CB 3.5Å; P326-L329 PolarHBondContact O-N 3.29Å; L329-M331 PolarHBondContact O-N 3.29Å; L329-C332 WeakPolarHBondContact O-CB 3.35Å; L329-C332 PolarHBondContact O-N 3.23Å; L329-V333 WeakPolarHBondContact O-CG2 3.27Å; L329-F339 HydrophobicContact CD2-CE1 4.21Å; L329-E351 HydrophobicContact CD2-CG 3.73Å; L329-E351 VanDerWaalsContact CD2-OE1 3.3Å; L329-E351 WeakPolarHBondContact CD2-OE1 3.42Å; L329-R355 HydrophobicContact CD2-CG 3.95Å; L329-L358 HydrophobicContact CD1-CD1 4.36Å
330A61Low66.6Low54 Ų54108.1 Ų108.145%0.44654%0.54SS..Hα-helixtrans-62.3-26.6-17700000113.5P326 C332P326-A330 PolarHBondContact O-N 3.21Å; A330-C332 PolarHBondContact O-N 3.12Å
331M66.4Low68.5Low176 Ų17698.4 Ų98.487%0.86750%0.504SS*.THydrogen-bonded Turntrans-71.3-16.4175-66.6-176.664.100113.2L329L329-M331 PolarHBondContact O-N 3.29Å
332C73.6Confident70.3Confident30 Ų3096.8 Ų96.820%0.20350%0.496CS..THydrogen-bonded Turntrans-105.81.6-176.6-48.70000112.3L329 A330 F339 Y340 F354L329-C332 WeakPolarHBondContact O-CB 3.35Å; L329-C332 PolarHBondContact O-N 3.23Å; A330-C332 PolarHBondContact O-N 3.12Å; C332-F339 CarbonylContact O-C 3.49Å; C332-F339 WeakPolarHBondContact O-CA 3.38Å; C332-Y340 WeakPolarHBondContact CB-O 3.35Å; C332-Y340 PolarHBondContact O-N 3.2Å; C332-F354 HydrophobicContact CB-CD1 4.49Å; C332-F354 HydrophobicContact CB-CE1 3.37Å; C332-F354 HydrophobicContact CB-CZ 3.48Å; C332-F354 VanDerWaalsContact CB-CZ 3.48Å
333V80.9Confident71.9Confident44 Ų4489.1 Ų89.127%0.26747%0.471SS..BIsolated β-bridgetrans-94.2119.6-179.8-178.40000109.3I325 L329 F339I325-V333 HydrophobicContact CD1-CG2 4.21Å; I325-V333 HydrophobicContact CG2-CG2 4.38Å; L329-V333 WeakPolarHBondContact O-CG2 3.27Å; V333-F339 HydrophobicContact CG2-CD1 3.75Å; V333-F339 HydrophobicContact CG2-CE1 3.5Å; V333-F339 HydrophobicContact CG2-CZ 4.27Å
334T76.6Confident73.3Confident42 Ų4282.2 Ų82.226%0.25844%0.44SS..  trans-73.9159.3173.554.20000111.3S336 G337 Q338T334-S336 PolarHBondContact O-N 3.08Å; T334-S336 PolarHBondContact OG1-OG 3.39Å; T334-G337 PolarHBondContact O-N 3.23Å; T334-Q338 PolarHBondContact N-O 2.88Å; T334-Q338 PolarHBondContact OG1-N 3.17Å; T334-Q338 PolarHBondContact OG1-O 2.93Å
335P69.9Low75Confident148 Ų14877.1 Ų77.196%0.96143%0.43SS*.THydrogen-bonded Turntrans-57.5-22.3177.1-2433.3000114.2G337P335-G337 VanDerWaalsContact C-N 3.27Å
336S73.1Confident76.5Confident88 Ų8876.6 Ų76.662%0.61543%0.431SS*.THydrogen-bonded Turntrans-78.1-7.2173.854.60000113.8T334T334-S336 PolarHBondContact O-N 3.08Å; T334-S336 PolarHBondContact OG1-OG 3.39Å
337G76.8Confident77.8Confident46 Ų4677.1 Ų77.147%0.47445%0.447SS..SBendtrans85.85.6-177.900000114.6T334 P335T334-G337 PolarHBondContact O-N 3.23Å; P335-G337 VanDerWaalsContact C-N 3.27Å
338Q80.3Confident79Confident99 Ų9968.1 Ų68.146%0.46342%0.417SS..  trans-86.6143.8175.2-66.4177.5-2500110.8T334T334-Q338 PolarHBondContact N-O 2.88Å; T334-Q338 PolarHBondContact OG1-N 3.17Å; T334-Q338 PolarHBondContact OG1-O 2.93Å
339F88.8Confident80.1Confident15 Ų1569.6 Ų69.67%0.06642%0.419CS..EExtended strand (participates in β ladder)trans-85.4134.3176.1-62.7-90000110.1L329 C332 V333 G347 A348 E351 F354L329-F339 HydrophobicContact CD2-CE1 4.21Å; C332-F339 CarbonylContact O-C 3.49Å; C332-F339 WeakPolarHBondContact O-CA 3.38Å; V333-F339 HydrophobicContact CG2-CD1 3.75Å; V333-F339 HydrophobicContact CG2-CE1 3.5Å; V333-F339 HydrophobicContact CG2-CZ 4.27Å; F339-G347 CarbonylContact O-C 3.47Å; F339-G347 VanDerWaalsContact O-CA 3.26Å; F339-G347 WeakPolarHBondContact O-CA 3.38Å; F339-A348 HydrophobicContact CB-CB 4.49Å; F339-A348 PolarHBondContact N-O 3.49Å; F339-A348 PolarHBondContact O-N 3.33Å; F339-E351 HydrophobicContact CD2-CB 4.46Å; F339-E351 HydrophobicContact CE1-CB 4.34Å; F339-E351 HydrophobicContact CE1-CG 4.05Å; F339-E351 HydrophobicContact CE2-CB 3.55Å; F339-E351 HydrophobicContact CE2-CG 4.17Å; F339-E351 HydrophobicContact CZ-CB 3.48Å; F339-E351 VanDerWaalsContact CZ-CB 3.48Å; F339-E351 HydrophobicContact CZ-CG 3.6Å; F339-F354 HydrophobicContact CB-CB 3.63Å; F339-F354 HydrophobicContact CB-CD1 3.73Å; F339-F354 HydrophobicContact CB-CD2 3.52Å; F339-F354 HydrophobicContact CB-CE1 4.24Å; F339-F354 HydrophobicContact CB-CE2 4.06Å; F339-F354 HydrophobicContact CB-CG 3.33Å; F339-F354 HydrophobicContact CB-CZ 4.4Å; F339-F354 HydrophobicContact CD1-CB 4.33Å; F339-F354 AromaticContact CD1-CD1 3.75Å; F339-F354 HydrophobicContact CD1-CD1 3.75Å; F339-F354 HydrophobicContact CD1-CE1 4.32Å; F339-F354 HydrophobicContact CD1-CG 4.14Å; F339-F354 HydrophobicContact CD2-CB 4.38Å; F339-F354 HydrophobicContact CG-CB 3.87Å; F339-F354 HydrophobicContact CG-CD1 4Å; F339-F354 AromaticContact CG-CG 3.89Å; F339-F354 HydrophobicContact CG-CG 3.89Å
340Y88.5Confident81.1Confident99 Ų9974.1 Ų74.139%0.38844%0.44SS..EExtended strand (participates in β ladder)trans-137.5131.3-178.5175-104.2000111.2C332 N345 C346C332-Y340 WeakPolarHBondContact CB-O 3.35Å; C332-Y340 PolarHBondContact O-N 3.2Å; Y340-N345 PolarHBondContact OH-OD1 2.98Å; Y340-C346 WeakPolarHBondContact CA-O 3.09Å
341C88.8Confident82.3Confident6 Ų673.7 Ų73.74%0.04143%0.428CS..EExtended strand (participates in β ladder)trans-104.5108.7175.51760000109.3M343 C344 N345 C346 F354 H357 H363C341-M343 VanDerWaalsContact C-N 3.28Å; C341-M343 PolarHBondContact O-N 3.41Å; C341-C344 HydrophobicContact CB-CB 4.44Å; C341-C344 PolarHBondContact O-N 2.82Å; C341-C344 PolarHBondContact SG-N 3.13Å; C341-N345 VanDerWaalsContact O-CA 3.29Å; C341-N345 WeakPolarHBondContact O-CA 3.5Å; C341-N345 PolarHBondContact O-N 3.36Å; C341-C346 PolarHBondContact N-O 3.05Å; C341-C346 PolarHBondContact O-N 3.29Å; C341-F354 HydrophobicContact CB-CE2 3.65Å; C341-F354 HydrophobicContact CB-CZ 3.94Å; C341-H357 WeakPolarHBondContact CB-NE2 3.36Å; C341-H357 PolarHBondContact SG-NE2 3.39Å; C341-H363 PolarHBondContact SG-CE1 2.93Å; C341-H363 PolarHBondContact SG-ND1 3.32Å
342S86Confident83.3Confident87 Ų8769.5 Ų69.561%0.60841%0.413SS*.THydrogen-bonded Turntrans-66.7-26.8177.456.10000113.5C344 N345S342-C344 VanDerWaalsContact C-N 3.32Å; S342-N345 PolarHBondContact O-OD1 2.87Å
343M86.1Confident84.1Confident76 Ų7672 Ų7237%0.37442%0.424SS..THydrogen-bonded Turntrans-75.7-24.6-179.4-57.1-168.474.600112.6C341 V367 L370C341-M343 VanDerWaalsContact C-N 3.28Å; C341-M343 PolarHBondContact O-N 3.41Å; M343-V367 HydrophobicContact CE-CB 4.45Å; M343-V367 HydrophobicContact CE-CG2 3.96Å; M343-V367 HydrophobicContact SD-CG2 3.75Å; M343-L370 HydrophobicContact CE-CB 3.99Å; M343-L370 HydrophobicContact CE-CD1 3.27Å; M343-L370 HydrophobicContact CE-CG 4.25Å
344C87.7Confident84.5Confident18 Ų1870 Ų7012%0.12241%0.412CS..THydrogen-bonded Turntrans-113.3-7.1179.6-63.50000113.1C341 S342 C346 H357 H363C341-C344 HydrophobicContact CB-CB 4.44Å; C341-C344 PolarHBondContact O-N 2.82Å; C341-C344 PolarHBondContact SG-N 3.13Å; S342-C344 VanDerWaalsContact C-N 3.32Å; C344-C346 HydrophobicContact CB-CB 4.35Å; C344-C346 PolarHBondContact O-N 2.88Å; C344-C346 PolarHBondContact O-SG 3.4Å; C344-H357 VanDerWaalsContact CB-CE1 3.43Å; C344-H357 WeakPolarHBondContact CB-CE1 3.34Å; C344-H357 VanDerWaalsContact SG-CE1 3.56Å; C344-H363 PolarHBondContact SG-ND1 3.44Å
345N88.6Confident85Confident119 Ų11973.1 Ų73.164%0.63642%0.419SS*.THydrogen-bonded Turntrans50.540.5-169.4-69.1-19.5000112.8Y340 C341 S342Y340-N345 PolarHBondContact OH-OD1 2.98Å; C341-N345 VanDerWaalsContact O-CA 3.29Å; C341-N345 WeakPolarHBondContact O-CA 3.5Å; C341-N345 PolarHBondContact O-N 3.36Å; S342-N345 PolarHBondContact O-OD1 2.87Å
346C86.1Confident86.1Confident54 Ų5472.4 Ų72.437%0.36540%0.403SS..EExtended strand (participates in β ladder)trans-114.4131.6-179.2-57.90000110.5Y340 C341 C344Y340-C346 WeakPolarHBondContact CA-O 3.09Å; C341-C346 PolarHBondContact N-O 3.05Å; C341-C346 PolarHBondContact O-N 3.29Å; C344-C346 HydrophobicContact CB-CB 4.35Å; C344-C346 PolarHBondContact O-N 2.88Å; C344-C346 PolarHBondContact O-SG 3.4Å
347G88.3Confident87Confident63 Ų6370 Ų7065%0.64938%0.382SS*.EExtended strand (participates in β ladder)trans-98.1147.6168.500000111.2F339F339-G347 CarbonylContact O-C 3.47Å; F339-G347 VanDerWaalsContact O-CA 3.26Å; F339-G347 WeakPolarHBondContact O-CA 3.38Å
348A87Confident87.6Confident18 Ų1869.8 Ų69.815%0.14937%0.37CS..EExtended strand (participates in β ladder)trans-135137.2170.400000109.3F339 D353 F354F339-A348 HydrophobicContact CB-CB 4.49Å; F339-A348 PolarHBondContact N-O 3.49Å; F339-A348 PolarHBondContact O-N 3.33Å; A348-D353 HydrophobicContact CB-CB 4.37Å; A348-F354 HydrophobicContact CB-CB 3.86Å; A348-F354 HydrophobicContact CB-CD2 4.01Å; A348-F354 HydrophobicContact CB-CG 4.43Å
349E83.6Confident88.1Confident161 Ų16170.8 Ų70.875%0.75237%0.374SS*.SBendtrans-81.3-28.8-179-60.3-174.3161.300111.7
350Q85.6Confident88.3Confident113 Ų11371.7 Ų71.753%0.52838%0.383SS..SBendtrans-108.7143.7-179.4-58-174.59900111.9T352 D353 F354Q350-T352 VanDerWaalsContact C-N 3.27Å; Q350-T352 PolarHBondContact O-N 2.93Å; Q350-D353 HydrophobicContact CB-CB 4.45Å; Q350-D353 PolarHBondContact NE2-OD2 2.94Å; Q350-D353 PolarHBondContact O-N 3.5Å; Q350-F354 PolarHBondContact O-N 2.87Å; Q350-F354 VanDerWaalsContact O-N 3.14Å
351E86Confident88.6Confident45 Ų4576.1 Ų76.121%0.2140%0.404CS..Hα-helixtrans-61.4-37.2177.2-172.6175.6171.900112L329 F339 F354 R355L329-E351 HydrophobicContact CD2-CG 3.73Å; L329-E351 VanDerWaalsContact CD2-OE1 3.3Å; L329-E351 WeakPolarHBondContact CD2-OE1 3.42Å; F339-E351 HydrophobicContact CD2-CB 4.46Å; F339-E351 HydrophobicContact CE1-CB 4.34Å; F339-E351 HydrophobicContact CE1-CG 4.05Å; F339-E351 HydrophobicContact CE2-CB 3.55Å; F339-E351 HydrophobicContact CE2-CG 4.17Å; F339-E351 HydrophobicContact CZ-CB 3.48Å; F339-E351 VanDerWaalsContact CZ-CB 3.48Å; F339-E351 HydrophobicContact CZ-CG 3.6Å; E351-F354 PolarHBondContact O-N 3.43Å; E351-R355 HydrophobicContact CG-CG 4.42Å; E351-R355 WeakPolarHBondContact O-CB 3.5Å; E351-R355 VanDerWaalsContact O-CG 3.25Å; E351-R355 WeakPolarHBondContact O-CG 3.5Å; E351-R355 PolarHBondContact O-N 2.9Å; E351-R355 IonicContact OE1-CZ 3.22Å; E351-R355 IonicContact OE1-NE 3.07Å; E351-R355 PolarHBondContact OE1-NE 3.32Å; E351-R355 IonicContact OE1-NH2 2.64Å; E351-R355 PolarHBondContact OE1-NH2 3.09Å
352T88.2Confident88.7Confident88 Ų8883.1 Ų83.154%0.5444%0.436SS..Hα-helixtrans-63.3-45.418049.20000111.8Q350 F354 R355 Q356Q350-T352 VanDerWaalsContact C-N 3.27Å; Q350-T352 PolarHBondContact O-N 2.93Å; T352-F354 VanDerWaalsContact C-N 3.31Å; T352-F354 PolarHBondContact O-N 3.31Å; T352-R355 PolarHBondContact O-N 3.13Å; T352-Q356 WeakPolarHBondContact O-CB 3.34Å; T352-Q356 PolarHBondContact O-N 3.45Å
353D88.6Confident89Confident83 Ų8380 Ų8044%0.44441%0.411SS..Hα-helixtrans-69.1-36.3-178.4-57.9-18.8000110.3A348 Q350 Q356 H357A348-D353 HydrophobicContact CB-CB 4.37Å; Q350-D353 HydrophobicContact CB-CB 4.45Å; Q350-D353 PolarHBondContact NE2-OD2 2.94Å; Q350-D353 PolarHBondContact O-N 3.5Å; D353-Q356 PolarHBondContact O-N 3.32Å; D353-H357 PolarHBondContact O-N 3.46Å
354F90.1Very high89.4Confident1 Ų182 Ų820%0.00442%0.418CS..Hα-helixtrans-67.6-41.7174-166-112000113C332 F339 C341 A348 Q350 E351 T352 Q356 H357 L358C332-F354 HydrophobicContact CB-CD1 4.49Å; C332-F354 HydrophobicContact CB-CE1 3.37Å; C332-F354 HydrophobicContact CB-CZ 3.48Å; C332-F354 VanDerWaalsContact CB-CZ 3.48Å; F339-F354 HydrophobicContact CB-CB 3.63Å; F339-F354 HydrophobicContact CB-CD1 3.73Å; F339-F354 HydrophobicContact CB-CD2 3.52Å; F339-F354 HydrophobicContact CB-CE1 4.24Å; F339-F354 HydrophobicContact CB-CE2 4.06Å; F339-F354 HydrophobicContact CB-CG 3.33Å; F339-F354 HydrophobicContact CB-CZ 4.4Å; F339-F354 HydrophobicContact CD1-CB 4.33Å; F339-F354 AromaticContact CD1-CD1 3.75Å; F339-F354 HydrophobicContact CD1-CD1 3.75Å; F339-F354 HydrophobicContact CD1-CE1 4.32Å; F339-F354 HydrophobicContact CD1-CG 4.14Å; F339-F354 HydrophobicContact CD2-CB 4.38Å; F339-F354 HydrophobicContact CG-CB 3.87Å; F339-F354 HydrophobicContact CG-CD1 4Å; F339-F354 AromaticContact CG-CG 3.89Å; F339-F354 HydrophobicContact CG-CG 3.89Å; C341-F354 HydrophobicContact CB-CE2 3.65Å; C341-F354 HydrophobicContact CB-CZ 3.94Å; A348-F354 HydrophobicContact CB-CB 3.86Å; A348-F354 HydrophobicContact CB-CD2 4.01Å; A348-F354 HydrophobicContact CB-CG 4.43Å; Q350-F354 PolarHBondContact O-N 2.87Å; Q350-F354 VanDerWaalsContact O-N 3.14Å; E351-F354 PolarHBondContact O-N 3.43Å; T352-F354 VanDerWaalsContact C-N 3.31Å; T352-F354 PolarHBondContact O-N 3.31Å; F354-Q356 VanDerWaalsContact C-N 3.32Å; F354-Q356 PolarHBondContact O-N 3.41Å; F354-H357 WeakPolarHBondContact O-CB 3.02Å; F354-H357 PolarHBondContact O-N 3.48Å; F354-H357 VanDerWaalsContact O-N 3.16Å; F354-L358 HydrophobicContact CD1-CD1 3.94Å; F354-L358 HydrophobicContact CD1-CG 4.19Å; F354-L358 HydrophobicContact CE1-CD1 3.66Å; F354-L358 HydrophobicContact CE1-CD2 4.09Å; F354-L358 HydrophobicContact CE1-CG 3.92Å; F354-L358 HydrophobicContact CZ-CD1 4.45Å; F354-L358 HydrophobicContact CZ-CD2 4.06Å; F354-L358 HydrophobicContact CZ-CG 4.29Å; F354-L358 WeakPolarHBondContact O-CG 3.16Å; F354-L358 PolarHBondContact O-N 2.65Å
355R87.8Confident89.7Confident108 Ų10883.6 Ų83.641%0.40843%0.433SS..Hα-helixtrans-60.9-44.3174-74.6173.1177.9-151.44.6111L329 E351 T352 H357 L358 E359L329-R355 HydrophobicContact CD2-CG 3.95Å; E351-R355 HydrophobicContact CG-CG 4.42Å; E351-R355 WeakPolarHBondContact O-CB 3.5Å; E351-R355 VanDerWaalsContact O-CG 3.25Å; E351-R355 WeakPolarHBondContact O-CG 3.5Å; E351-R355 PolarHBondContact O-N 2.9Å; E351-R355 IonicContact OE1-CZ 3.22Å; E351-R355 IonicContact OE1-NE 3.07Å; E351-R355 PolarHBondContact OE1-NE 3.32Å; E351-R355 IonicContact OE1-NH2 2.64Å; E351-R355 PolarHBondContact OE1-NH2 3.09Å; T352-R355 PolarHBondContact O-N 3.13Å; R355-H357 VanDerWaalsContact C-N 3.27Å; R355-H357 PolarHBondContact O-N 3Å; R355-L358 PolarHBondContact O-N 3.29Å; R355-E359 WeakPolarHBondContact O-CB 3.5Å; R355-E359 WeakPolarHBondContact O-CG 3.45Å; R355-E359 PolarHBondContact O-N 3.47Å
356Q92.3Very high89.8Confident133 Ų13382.3 Ų82.362%0.62142%0.421SS*.Hα-helixtrans-59.7-39.2174.8-166.975.884.500111.5T352 D353 F354 E359 S360T352-Q356 WeakPolarHBondContact O-CB 3.34Å; T352-Q356 PolarHBondContact O-N 3.45Å; D353-Q356 PolarHBondContact O-N 3.32Å; F354-Q356 VanDerWaalsContact C-N 3.32Å; F354-Q356 PolarHBondContact O-N 3.41Å; Q356-E359 PolarHBondContact O-N 2.85Å; Q356-S360 PolarHBondContact O-N 2.88Å
357H92.5Very high90.1Very high37 Ų3781.5 Ų81.517%0.17142%0.415CS..Hα-helixtrans-62.3-49173.6168.980.3000112.5C341 C344 D353 F354 R355 E359 S360 H363C341-H357 WeakPolarHBondContact CB-NE2 3.36Å; C341-H357 PolarHBondContact SG-NE2 3.39Å; C344-H357 VanDerWaalsContact CB-CE1 3.43Å; C344-H357 WeakPolarHBondContact CB-CE1 3.34Å; C344-H357 VanDerWaalsContact SG-CE1 3.56Å; D353-H357 PolarHBondContact O-N 3.46Å; F354-H357 WeakPolarHBondContact O-CB 3.02Å; F354-H357 PolarHBondContact O-N 3.48Å; F354-H357 VanDerWaalsContact O-N 3.16Å; R355-H357 VanDerWaalsContact C-N 3.27Å; R355-H357 PolarHBondContact O-N 3Å; H357-E359 PolarHBondContact O-N 3.35Å; H357-S360 WeakPolarHBondContact O-CB 2.82Å; H357-S360 PolarHBondContact O-N 2.84Å; H357-S360 PolarHBondContact O-OG 3.14Å; H357-H363 AromaticContact CD2-ND1 3.99Å; H357-H363 AromaticContact NE2-ND1 3.36Å; H357-H363 PolarHBondContact NE2-ND1 3.5Å; H357-H363 WeakPolarHBondContact O-CB 3.45Å
358L89.9Confident90.2Very high42 Ų4281.9 Ų81.922%0.2241%0.407CS..Hα-helixtrans-61.4-33.4178.4-66.9178.9000112.1L329 F354 R355 S360 H363L329-L358 HydrophobicContact CD1-CD1 4.36Å; F354-L358 HydrophobicContact CD1-CD1 3.94Å; F354-L358 HydrophobicContact CD1-CG 4.19Å; F354-L358 HydrophobicContact CE1-CD1 3.66Å; F354-L358 HydrophobicContact CE1-CD2 4.09Å; F354-L358 HydrophobicContact CE1-CG 3.92Å; F354-L358 HydrophobicContact CZ-CD1 4.45Å; F354-L358 HydrophobicContact CZ-CD2 4.06Å; F354-L358 HydrophobicContact CZ-CG 4.29Å; F354-L358 WeakPolarHBondContact O-CG 3.16Å; F354-L358 PolarHBondContact O-N 2.65Å; R355-L358 PolarHBondContact O-N 3.29Å; L358-S360 VanDerWaalsContact C-N 3.32Å; L358-H363 PolarHBondContact O-CD2 3.3Å; L358-H363 VanDerWaalsContact O-CD2 3.24Å
359E89.9Confident90.5Very high121 Ų12187.4 Ų87.457%0.56543%0.43SS*.Hα-helixtrans-82.8-10.4177.4-69.3176.3-17800113.6R355 Q356 H357 K364R355-E359 WeakPolarHBondContact O-CB 3.5Å; R355-E359 WeakPolarHBondContact O-CG 3.45Å; R355-E359 PolarHBondContact O-N 3.47Å; Q356-E359 PolarHBondContact O-N 2.85Å; H357-E359 PolarHBondContact O-N 3.35Å; E359-K364 VanDerWaalsContact O-CE 3.29Å; E359-K364 WeakPolarHBondContact O-CE 3.3Å; E359-K364 PolarHBondContact O-NZ 3.1Å
360S93.1Very high90.8Very high34 Ų3483 Ų8324%0.23841%0.412CS..SBendtrans-64149.8-177.377.60000112.2Q356 H357 L358 Q362 H363 K364Q356-S360 PolarHBondContact O-N 2.88Å; H357-S360 WeakPolarHBondContact O-CB 2.82Å; H357-S360 PolarHBondContact O-N 2.84Å; H357-S360 PolarHBondContact O-OG 3.14Å; L358-S360 VanDerWaalsContact C-N 3.32Å; S360-Q362 PolarHBondContact O-N 3.2Å; S360-H363 PolarHBondContact O-N 2.65Å; S360-H363 WeakPolarHBondContact OG-CB 3.32Å; S360-H363 PolarHBondContact OG-N 3.24Å; S360-K364 WeakPolarHBondContact O-CG 3.36Å; S360-K364 PolarHBondContact O-N 3.32Å
361K93.9Very high90.9Very high191 Ų19186 Ų8683%0.8342%0.418SS*.Hα-helixtrans-59.5-36.1176.4-66.6-176.3179.7-179.10111.9A365K361-A365 VanDerWaalsContact O-CB 3.23Å; K361-A365 WeakPolarHBondContact O-CB 3.33Å; K361-A365 PolarHBondContact O-N 3.16Å
362Q92.6Very high91.3Very high154 Ų15490.9 Ų90.972%0.7244%0.436SS*.Hα-helixtrans-67.5-45.7-179.6-64.3-176.623.500111.8S360 A365 K366S360-Q362 PolarHBondContact O-N 3.2Å; Q362-A365 PolarHBondContact O-N 3.08Å; Q362-K366 PolarHBondContact O-N 3.48Å
363H92.4Very high91.4Very high20 Ų2094.5 Ų94.59%0.09344%0.439CS..Hα-helixtrans-62.8-49.3176.8-177.883.1000110.7C341 C344 H357 L358 S360 A365 K366 V367C341-H363 PolarHBondContact SG-CE1 2.93Å; C341-H363 PolarHBondContact SG-ND1 3.32Å; C344-H363 PolarHBondContact SG-ND1 3.44Å; H357-H363 AromaticContact CD2-ND1 3.99Å; H357-H363 AromaticContact NE2-ND1 3.36Å; H357-H363 PolarHBondContact NE2-ND1 3.5Å; H357-H363 WeakPolarHBondContact O-CB 3.45Å; L358-H363 PolarHBondContact O-CD2 3.3Å; L358-H363 VanDerWaalsContact O-CD2 3.24Å; S360-H363 PolarHBondContact O-N 2.65Å; S360-H363 WeakPolarHBondContact OG-CB 3.32Å; S360-H363 PolarHBondContact OG-N 3.24Å; H363-A365 VanDerWaalsContact C-N 3.32Å; H363-A365 PolarHBondContact O-N 2.98Å; H363-K366 PolarHBondContact O-N 2.86Å; H363-V367 WeakPolarHBondContact NE2-CG2 3.46Å; H363-V367 VanDerWaalsContact O-CG2 3.25Å; H363-V367 WeakPolarHBondContact O-CG2 3.35Å; H363-V367 PolarHBondContact O-N 3.04Å
364K92.6Very high91.6Very high118 Ų11895.2 Ų95.251%0.51344%0.44SS..Hα-helixtrans-58.5-42.1178.6-73172175162.10112.6E359 S360 V367 S368E359-K364 VanDerWaalsContact O-CE 3.29Å; E359-K364 WeakPolarHBondContact O-CE 3.3Å; E359-K364 PolarHBondContact O-NZ 3.1Å; S360-K364 WeakPolarHBondContact O-CG 3.36Å; S360-K364 PolarHBondContact O-N 3.32Å; K364-V367 PolarHBondContact O-N 2.95Å; K364-S368 PolarHBondContact O-N 3.11Å; K364-S368 PolarHBondContact O-OG 3.45Å; K364-S368 VanDerWaalsContact O-OG 3.07Å
365A94.7Very high91.7Very high52 Ų52100.2 Ų100.243%0.4346%0.463SS..Hα-helixtrans-62-48.3176.600000112K361 Q362 H363 V367 S368 E369K361-A365 VanDerWaalsContact O-CB 3.23Å; K361-A365 WeakPolarHBondContact O-CB 3.33Å; K361-A365 PolarHBondContact O-N 3.16Å; Q362-A365 PolarHBondContact O-N 3.08Å; H363-A365 VanDerWaalsContact C-N 3.32Å; H363-A365 PolarHBondContact O-N 2.98Å; A365-V367 VanDerWaalsContact C-N 3.32Å; A365-V367 PolarHBondContact O-N 2.84Å; A365-S368 WeakPolarHBondContact CA-OG 3.42Å; A365-S368 PolarHBondContact O-N 3.42Å; A365-S368 PolarHBondContact O-OG 3.37Å; A365-E369 WeakPolarHBondContact O-CB 3.43Å; A365-E369 PolarHBondContact O-N 3.26Å
366K91.8Very high91.9Very high92 Ų9297.3 Ų97.340%0.446%0.455SS..Hα-helixtrans-61.5-39.4176.3-78-175.3175.9-177.40112.5Q362 H363 E369 L370Q362-K366 PolarHBondContact O-N 3.48Å; H363-K366 PolarHBondContact O-N 2.86Å; K366-E369 PolarHBondContact O-N 3.31Å; K366-L370 WeakPolarHBondContact O-CB 3.33Å; K366-L370 WeakPolarHBondContact O-CG 3.27Å; K366-L370 PolarHBondContact O-N 3.33Å
367V91.7Very high91.8Very high37 Ų3795.9 Ų95.922%0.22445%0.448CS..Hα-helixtrans-65.4-44.6176.9172.80000111M343 H363 K364 A365 L370 R371M343-V367 HydrophobicContact CE-CB 4.45Å; M343-V367 HydrophobicContact CE-CG2 3.96Å; M343-V367 HydrophobicContact SD-CG2 3.75Å; H363-V367 WeakPolarHBondContact NE2-CG2 3.46Å; H363-V367 VanDerWaalsContact O-CG2 3.25Å; H363-V367 WeakPolarHBondContact O-CG2 3.35Å; H363-V367 PolarHBondContact O-N 3.04Å; K364-V367 PolarHBondContact O-N 2.95Å; A365-V367 VanDerWaalsContact C-N 3.32Å; A365-V367 PolarHBondContact O-N 2.84Å; V367-L370 PolarHBondContact O-N 3.29Å; V367-R371 WeakPolarHBondContact O-CB 3.33Å; V367-R371 PolarHBondContact O-N 3.42Å
368S91.1Very high91.6Very high71 Ų7199.5 Ų99.550%0.49747%0.469SS..Hα-helixtrans-65.3-39.8177520000112.3K364 A365 R371 Y372K364-S368 PolarHBondContact O-N 3.11Å; K364-S368 PolarHBondContact O-OG 3.45Å; K364-S368 VanDerWaalsContact O-OG 3.07Å; A365-S368 WeakPolarHBondContact CA-OG 3.42Å; A365-S368 PolarHBondContact O-N 3.42Å; A365-S368 PolarHBondContact O-OG 3.37Å; S368-R371 PolarHBondContact O-N 2.77Å; S368-Y372 WeakPolarHBondContact O-CB 3.46Å; S368-Y372 PolarHBondContact O-N 3.35Å
369E92.9Very high91.6Very high135 Ų135102.8 Ų102.863%0.63149%0.486SS*.Hα-helixtrans-64.5-45177.4-175.4-178.3166.900111.3A365 K366 R371 Y372 R373A365-E369 WeakPolarHBondContact O-CB 3.43Å; A365-E369 PolarHBondContact O-N 3.26Å; K366-E369 PolarHBondContact O-N 3.31Å; E369-R371 VanDerWaalsContact C-N 3.35Å; E369-R371 PolarHBondContact O-N 3.19Å; E369-Y372 PolarHBondContact O-N 3Å; E369-R373 WeakPolarHBondContact O-CB 3.5Å; E369-R373 PolarHBondContact O-N 3.25Å
370L89.4Confident91.3Very high69 Ų69100 Ų10036%0.36149%0.49SS..Hα-helixtrans-65.5-37.6176.4-81.3163000112.5M343 K366 V367 H374M343-L370 HydrophobicContact CE-CB 3.99Å; M343-L370 HydrophobicContact CE-CD1 3.27Å; M343-L370 HydrophobicContact CE-CG 4.25Å; K366-L370 WeakPolarHBondContact O-CB 3.33Å; K366-L370 WeakPolarHBondContact O-CG 3.27Å; K366-L370 PolarHBondContact O-N 3.33Å; V367-L370 PolarHBondContact O-N 3.29Å; L370-H374 WeakPolarHBondContact O-CB 2.97Å; L370-H374 PolarHBondContact O-N 3.2Å
371R88.6Confident90.2Very high176 Ų176106.8 Ų106.866%0.66451%0.512SS*.Hα-helixtrans-62.9-47.7173.1-174.8-174.4-65.2176.1-0.8110.8V367 S368 E369 H374 E375V367-R371 WeakPolarHBondContact O-CB 3.33Å; V367-R371 PolarHBondContact O-N 3.42Å; S368-R371 PolarHBondContact O-N 2.77Å; E369-R371 VanDerWaalsContact C-N 3.35Å; E369-R371 PolarHBondContact O-N 3.19Å; R371-H374 PolarHBondContact O-N 3.31Å; R371-E375 WeakPolarHBondContact O-CB 3.34Å; R371-E375 PolarHBondContact O-N 3.36Å
372Y92.9Very high88.9Confident146 Ų146105.6 Ų105.657%0.57353%0.527SS*.Hα-helixtrans-60.2-46.9178178-102.1000111.3S368 E369 H374 E375 M376S368-Y372 WeakPolarHBondContact O-CB 3.46Å; S368-Y372 PolarHBondContact O-N 3.35Å; E369-Y372 PolarHBondContact O-N 3Å; Y372-H374 VanDerWaalsContact C-N 3.33Å; Y372-H374 PolarHBondContact O-N 3.37Å; Y372-E375 PolarHBondContact O-N 3.01Å; Y372-M376 HydrophobicContact CD1-CG 4.15Å; Y372-M376 HydrophobicContact CD2-CE 4.25Å; Y372-M376 HydrophobicContact CD2-CG 4.37Å; Y372-M376 HydrophobicContact CE1-CG 3.71Å; Y372-M376 HydrophobicContact CE1-SD 4.48Å; Y372-M376 HydrophobicContact CE2-CE 3.74Å; Y372-M376 HydrophobicContact CE2-CG 3.95Å; Y372-M376 HydrophobicContact CE2-SD 3.95Å; Y372-M376 HydrophobicContact CG-CG 4.46Å; Y372-M376 WeakPolarHBondContact O-CG 3.26Å; Y372-M376 PolarHBondContact O-N 3.03Å
373R91.4Very high88.7Confident164 Ų164103.2 Ų103.262%0.61952%0.518SS*.Hα-helixtrans-59.3-44.5177.7-164-176.976.2128.27.8111.8E369 E375 M376 E377E369-R373 WeakPolarHBondContact O-CB 3.5Å; E369-R373 PolarHBondContact O-N 3.25Å; R373-E375 VanDerWaalsContact C-N 3.35Å; R373-M376 PolarHBondContact O-N 3.05Å; R373-E377 WeakPolarHBondContact O-CB 3.47Å; R373-E377 PolarHBondContact O-N 3.33Å
374H91.2Very high88.5Confident99 Ų99107.6 Ų107.646%0.45854%0.54SS..Hα-helixtrans-67.4-35.7177.6-174.757.9000112.5L370 R371 Y372 E377 N378L370-H374 WeakPolarHBondContact O-CB 2.97Å; L370-H374 PolarHBondContact O-N 3.2Å; R371-H374 PolarHBondContact O-N 3.31Å; Y372-H374 VanDerWaalsContact C-N 3.33Å; Y372-H374 PolarHBondContact O-N 3.37Å; H374-E377 IonicContact ND1-OE2 3.75Å; H374-E377 PolarHBondContact O-N 3.38Å; H374-N378 PolarHBondContact CD2-ND2 3.41Å; H374-N378 PolarHBondContact NE2-ND2 3.35Å; H374-N378 WeakPolarHBondContact O-CB 3.45Å; H374-N378 PolarHBondContact O-N 3.44Å; H374-N378 PolarHBondContact O-ND2 2.73Å
375E93.1Very high88.3Confident106 Ų106107 Ų10750%0.49554%0.542SS..Hα-helixtrans-66.6-42174.8-171.7171.6-176.800111.6R371 Y372 R373 N378 L379R371-E375 WeakPolarHBondContact O-CB 3.34Å; R371-E375 PolarHBondContact O-N 3.36Å; Y372-E375 PolarHBondContact O-N 3.01Å; R373-E375 VanDerWaalsContact C-N 3.35Å; E375-N378 PolarHBondContact O-N 2.77Å; E375-L379 WeakPolarHBondContact O-CG 3.42Å; E375-L379 PolarHBondContact O-N 3Å; E375-L379 VanDerWaalsContact O-N 3.1Å
376M91Very high87.9Confident47 Ų47110.2 Ų110.223%0.23255%0.548CS..Hα-helixtrans-64.9-41.9174.2-66.6-58.4101.800111.9Y372 R373 N378 L379 G380 Y381Y372-M376 HydrophobicContact CD1-CG 4.15Å; Y372-M376 HydrophobicContact CD2-CE 4.25Å; Y372-M376 HydrophobicContact CD2-CG 4.37Å; Y372-M376 HydrophobicContact CE1-CG 3.71Å; Y372-M376 HydrophobicContact CE1-SD 4.48Å; Y372-M376 HydrophobicContact CE2-CE 3.74Å; Y372-M376 HydrophobicContact CE2-CG 3.95Å; Y372-M376 HydrophobicContact CE2-SD 3.95Å; Y372-M376 HydrophobicContact CG-CG 4.46Å; Y372-M376 WeakPolarHBondContact O-CG 3.26Å; Y372-M376 PolarHBondContact O-N 3.03Å; R373-M376 PolarHBondContact O-N 3.05Å; M376-N378 PolarHBondContact O-N 3.14Å; M376-L379 HydrophobicContact CE-CD1 3.89Å; M376-L379 CarbonylContact O-C 3.58Å; M376-L379 PolarHBondContact O-N 3.18Å; M376-L379 VanDerWaalsContact O-N 3.16Å; M376-G380 PolarHBondContact O-N 2.92Å; M376-Y381 CarbonylContact C-O 3.56Å; M376-Y381 PolarHBondContact O-N 3.13Å
377E92Very high87.7Confident102 Ų102111.4 Ų111.448%0.47756%0.558SS.*Hα-helixtrans-60.8-43.4174.7-176-179.7-16000111.5R373 H374 L379 G380R373-E377 WeakPolarHBondContact O-CB 3.47Å; R373-E377 PolarHBondContact O-N 3.33Å; H374-E377 IonicContact ND1-OE2 3.75Å; H374-E377 PolarHBondContact O-N 3.38Å; E377-L379 PolarHBondContact O-N 3.5Å; E377-G380 PolarHBondContact O-N 3.04Å
378N86.5Confident87.4Confident113 Ų113116.3 Ų116.360%0.60458%0.58SS**Hα-helixtrans-66.2-25.2176.8-74.3-24.5000113.3H374 E375 M376 G380H374-N378 PolarHBondContact CD2-ND2 3.41Å; H374-N378 PolarHBondContact NE2-ND2 3.35Å; H374-N378 WeakPolarHBondContact O-CB 3.45Å; H374-N378 PolarHBondContact O-N 3.44Å; H374-N378 PolarHBondContact O-ND2 2.73Å; E375-N378 PolarHBondContact O-N 2.77Å; M376-N378 PolarHBondContact O-N 3.14Å; N378-G380 VanDerWaalsContact C-N 3.25Å
379L91.1Very high87.2Confident111 Ų111119.6 Ų119.658%0.58159%0.586SS**THydrogen-bonded Turntrans-84.62.1173.3-68.3170.6000112.8E375 M376 E377 Y381E375-L379 WeakPolarHBondContact O-CG 3.42Å; E375-L379 PolarHBondContact O-N 3Å; E375-L379 VanDerWaalsContact O-N 3.1Å; M376-L379 HydrophobicContact CE-CD1 3.89Å; M376-L379 CarbonylContact O-C 3.58Å; M376-L379 PolarHBondContact O-N 3.18Å; M376-L379 VanDerWaalsContact O-N 3.16Å; E377-L379 PolarHBondContact O-N 3.5Å; L379-Y381 VanDerWaalsContact C-N 3.31Å; L379-Y381 HydrophobicContact CB-CD2 3.85Å; L379-Y381 HydrophobicContact CB-CE2 4.28Å
380G83.8Confident86.7Confident63 Ų63118.4 Ų118.465%0.64958%0.582SS**THydrogen-bonded Turntrans79.711.4177.800000114.3M376 E377 N378 S382M376-G380 PolarHBondContact O-N 2.92Å; E377-G380 PolarHBondContact O-N 3.04Å; N378-G380 VanDerWaalsContact C-N 3.25Å; G380-S382 PolarHBondContact O-N 2.78Å
381Y69.6Low86.5Confident177 Ų177122.5 Ų122.569%0.69460%0.601SS**  trans-91.693.3170.6-65.7-84.7000107.7M376 L379M376-Y381 CarbonylContact C-O 3.56Å; M376-Y381 PolarHBondContact O-N 3.13Å; L379-Y381 VanDerWaalsContact C-N 3.31Å; L379-Y381 HydrophobicContact CB-CD2 3.85Å; L379-Y381 HydrophobicContact CB-CE2 4.28Å
382S67.1Low86.3Confident166 Ų166117.6 Ų117.6100%1.16160%0.595SS**  trans-105.90173.5-64.50000111.6G380G380-S382 PolarHBondContact O-N 2.78Å

Retrieved 382 of 382 residues in 182.3 ms (Link to these results)