A0A077Z219_TRITR Loading...

Transcription factor AP-2-epsilon

AlphaFold DB , UniProt , Accession A0A077Z219, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 182 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.9Very low62Low248 Ų248157 Ų157100%1.22283%0.834SS**  0103.10-61.4171.379.300107.7
2S61.1Low62.6Low125 Ų125154.3 Ų154.387%0.87483%0.828SS**  trans-160.5113.3162.4-168.40000108.6
3G56.7Low62.9Low66 Ų66158.2 Ų158.268%0.6883%0.832SS**  trans-82.5127.2-170.900000112.2K5G3-K5 PolarHBondContact O-N 3.34Å
4N59.3Low63.3Low168 Ų168163.5 Ų163.590%0.89884%0.836SS**  trans-64114.3162-76.5-45.3000108.9
5K71Confident63.6Low195 Ų195166.1 Ų166.185%0.84884%0.839SS**  trans-86.6129.2171.8-58.4-174.9-171.7-169.40108.6G3G3-K5 PolarHBondContact O-N 3.34Å
6P61.2Low63.7Low101 Ų101164.6 Ų164.666%0.65684%0.84SS**  trans-76.4129.7-177.930.6-32000110.4F8P6-F8 PolarHBondContact O-N 3.33Å
7L69.9Low63.3Low176 Ų176160.8 Ų160.892%0.92184%0.84SS**  trans-76.5114.6166-86.1160.3000108.4
8F61.5Low63Low174 Ų174156.1 Ų156.176%0.76384%0.837SS**  trans-72.5135.6171.5-69-84.4000110.2P6 I10P6-F8 PolarHBondContact O-N 3.33Å; F8-I10 PolarHBondContact O-N 2.98Å
9P64.5Low62.5Low101 Ų101153.4 Ų153.466%0.65684%0.838SS**  trans-74.6122.2177.129-31000110.3Y11P9-Y11 HydrophobicContact CB-CE2 4.39Å; P9-Y11 HydrophobicContact CG-CE2 4.32Å; P9-Y11 PolarHBondContact O-N 3.27Å
10I67.7Low62.4Low160 Ų160153.9 Ų153.982%0.82184%0.838SS**  trans-81.3113.7171.8-59.1179000108.4F8 V12F8-I10 PolarHBondContact O-N 2.98Å; I10-V12 HydrophobicContact CG2-CG2 4.5Å
11Y64.3Low61.8Low213 Ų213152.7 Ų152.784%0.83584%0.838SS**  trans-85.9122.2172.7-86.5-94.5000111P9P9-Y11 HydrophobicContact CB-CE2 4.39Å; P9-Y11 HydrophobicContact CG-CE2 4.32Å; P9-Y11 PolarHBondContact O-N 3.27Å
12V69.5Low62.2Low125 Ų125144.1 Ų144.176%0.75881%0.814SS**  trans-102.5113.4171.5-177.40000109.3I10 R14I10-V12 HydrophobicContact CG2-CG2 4.5Å; V12-R14 PolarHBondContact O-N 3.05Å
13K66.3Low61.8Low204 Ų204147.6 Ų147.689%0.88782%0.816SS**  trans-74.3112.6179-167.9169.5-176.4169.60109.8
14R68.5Low61.7Low233 Ų233150 Ų15088%0.87982%0.822SS**  trans-73.5130.9169.4-75.7-175.5-169.3162.33.9109.7V12V12-R14 PolarHBondContact O-N 3.05Å
15K68Low60.9Low203 Ų203146.4 Ų146.488%0.88382%0.816SS**  trans-86.4105.7172.2-175.3172.5-178.5176.40108.5
16T65.5Low59.9Low141 Ų141141.8 Ų141.887%0.86581%0.814SS**  trans-79.7119.9168.333.80000108.9
17A55.9Low59.1Low100 Ų100144.5 Ų144.583%0.82682%0.818SS**  trans-110123.1167.600000107.3
18G58.3Low58.2Low77 Ų77144.7 Ų144.779%0.79481%0.814SS**  trans12674.2178.200000112.4
19A52.8Low57.4Low104 Ų104146.4 Ų146.486%0.8682%0.817SS**  trans-83.9121.7168.200000108.9
20I60.7Low56.5Low163 Ų163144.9 Ų144.984%0.83681%0.812SS**  trans-109.5119.9160.5-35.1175.8000104.9
21P51.5Low55.1Low130 Ų130144.4 Ų144.484%0.84481%0.811SS**  trans-87.7112.2-178.931.7-26.7000109
22G53.4Low54.3Low68 Ų68142.5 Ų142.570%0.70181%0.814SS**  trans162.6124173.500000113.1
23E52.5Low53.1Low198 Ų198143.7 Ų143.793%0.92582%0.815SS**  trans78.7102.3158.8-89.9167.5107.300121.2
24S53.1Low52.5Low115 Ų115138.6 Ų138.680%0.80481%0.811SS**  78.1107.1125-152.30000119
25A43.1Very low51.2Low93 Ų93133.6 Ų133.677%0.76981%0.809SS**  trans-62.8129.6167.100000111.9
26A50.6Low50.4Low98 Ų98128.8 Ų128.881%0.8181%0.808SS**  trans-157.9125.514300000109
27H44.3Very low50Low159 Ų159131.2 Ų131.274%0.73681%0.809SS**  trans-66.7127.6176.7-71.3-126.7000110.2Y29H27-Y29 HydrophobicContact CB-CD2 4.47Å; H27-Y29 AromaticContact ND1-CE2 3.73Å
28E49.7Very low49.1Very low179 Ų179136 Ų13684%0.83681%0.811SS**  trans-123.295.4153.1-107.9-132.6133.100108.9A30E28-A30 VanDerWaalsContact C-N 3.34Å; E28-A30 PolarHBondContact O-N 3.18Å
29Y45.6Very low48.6Very low210 Ų210139 Ų13982%0.82481%0.814SS**  trans-77.985.1159.8-85.5-99.2000107.4H27H27-Y29 HydrophobicContact CB-CD2 4.47Å; H27-Y29 AromaticContact ND1-CE2 3.73Å
30A45.2Very low47.8Very low69 Ų69139 Ų13957%0.5781%0.808SS**  trans-97.595.617100000109.7E28 L32E28-A30 VanDerWaalsContact C-N 3.34Å; E28-A30 PolarHBondContact O-N 3.18Å; A30-L32 PolarHBondContact O-N 3.09Å
31L39.4Very low47.4Very low150 Ų150137.9 Ų137.979%0.78581%0.808SS**  trans-54.3108.8164.8-82.6155.8000110.2L33L31-L33 HydrophobicContact CD2-CD1 3.54Å
32L47.2Very low47.2Very low173 Ų173135.9 Ų135.991%0.90680%0.803SS**  trans-104.972.5163.1-73.2172.5000109.2A30A30-L32 PolarHBondContact O-N 3.09Å
33L43Very low46.6Very low150 Ų150139.6 Ų139.679%0.78581%0.806SS**  trans-90.2107.7153.7-80.8104.7000107.4L31L31-L33 HydrophobicContact CD2-CD1 3.54Å
34A54.3Low46.4Very low97 Ų97138.3 Ų138.380%0.80281%0.806SS**  trans-91.4135.3165.700000109.4
35P41.7Very low46Very low128 Ų128141 Ų14183%0.83181%0.806SS**  trans-85.4140.7175.734.8-30000109.6
36A50.4Low45.8Very low103 Ų103142.3 Ų142.385%0.85181%0.808SS**  trans-135.8132.6163.500000109.7
37E56.5Low45.3Very low191 Ų191145.2 Ų145.289%0.89381%0.81SS**  trans-66.7161.3-157-67.7-169.3116.500116.9
38K39Very low45Very low200 Ų200140.5 Ų140.587%0.8780%0.804SS**  trans-66.8131.8164.4-69.4-177.2173.1-1620110.9
39V47.2Very low44.5Very low142 Ų142137.9 Ų137.986%0.86181%0.806SS**  trans-130.5115.2147.4173.20000107.9
40S36.5Very low44.6Very low104 Ų104133.1 Ų133.173%0.72780%0.803SS**  trans-91.5133.4171.151.10000109.6
41V50.4Low44.6Very low138 Ų138140.3 Ų140.384%0.83682%0.816SS**  trans-157.5122.7145.3174.60000110.3
42A48Very low44.5Very low89 Ų89141.2 Ų141.274%0.73682%0.816SS**  trans58.2128.3145.600000123.2
43D41.3Very low44.1Very low145 Ų145141.8 Ų141.878%0.77581%0.811SS**  trans-53.7139.5163.9-53.3-91.1000114.2
44D49Very low43.9Very low172 Ų172140.6 Ų140.692%0.9281%0.806SS**  trans-147.9116.5143-106.2-49.8000109
45Q42.7Very low43Very low171 Ų171141.7 Ų141.780%0.79981%0.806SS**  trans-85.2164.5174.9-82.6179.89.700111.2
46C40.4Very low42.9Very low121 Ų121142.9 Ų142.982%0.81881%0.806SS**  trans100.3139.2162-650000115.3
47N39.3Very low42.4Very low159 Ų159149.2 Ų149.285%0.8581%0.809SS**  cis-171.3147.9-15.3-163.93.7000105.6
48G39Very low41.6Very low60 Ų60145.6 Ų145.662%0.61981%0.805SS**  trans90.7117.9147.400000119.9
49S38.1Very low41.9Very low123 Ų123142.9 Ų142.986%0.8681%0.805SS**  trans73.9103.4143.3-76.20000120
50S47.1Very low41.5Very low111 Ų111139.2 Ų139.278%0.77680%0.795SS**  -164.8108.1113.9-91.10000114
51R46.5Very low41.7Very low219 Ų219140.4 Ų140.483%0.82680%0.801SS**  51.697.5126.8-60.4-176.1177.9-166.9-1.1118
52Q37Very low41.3Very low169 Ų169143.2 Ų143.279%0.7980%0.802SS**  trans-58.9126.1156.4-161.3152.3-29.400110.9D54Q52-D54 PolarHBondContact NE2-OD2 2.69Å
53F38.3Very low41.2Very low186 Ų186146.7 Ų146.782%0.81681%0.806SS**  trans-115.798.1163-90.7-83.6000107.5
54D39Very low41.2Very low124 Ų124150.3 Ų150.366%0.66381%0.809SS**  trans-71.1124.4162.7-80.1-67.1000108.5Q52Q52-D54 PolarHBondContact NE2-OD2 2.69Å
55C35.9Very low40.9Very low121 Ų121146.6 Ų146.682%0.81880%0.797SS**  trans-111.881173.242.30000109.9Y57C55-Y57 PolarHBondContact O-N 3.05Å
56D39Very low40.8Very low152 Ų152150.5 Ų150.581%0.81380%0.804SS**  trans-75.4109.7161.9-77.3-44.5000109.3
57Y40Very low40.7Very low236 Ų236148.3 Ų148.393%0.92580%0.801SS**  trans-107.193.3166-122.1-91.6000108.9C55C55-Y57 PolarHBondContact O-N 3.05Å
58S41Very low40.7Very low115 Ų115149.6 Ų149.680%0.80480%0.803SS**  trans-85.5149165.8-101.60000111.5
59V45.3Very low40.8Very low144 Ų144153.5 Ų153.587%0.87381%0.814SS**  trans-67144.7-169.5-1770000112.5
60G37.9Very low40.7Very low64 Ų64156.3 Ų156.366%0.6681%0.814SS**  trans-61.9-174.6-176.400000116.3
61P41.8Very low40.5Very low129 Ų129156.6 Ų156.684%0.83882%0.815SS**  -152.8157.768.236.5-14.9000118.4
62K42.1Very low40.4Very low198 Ų198152.6 Ų152.686%0.86182%0.816SS**  trans37.5144.3136.5-141.5155-172.5167.20122.7
63I45.2Very low40.7Very low162 Ų162152.5 Ų152.583%0.83181%0.813SS**  trans110139.7160.5-58.4160.7000111.7
64R41.2Very low40.7Very low221 Ų221148.1 Ų148.183%0.83481%0.805SS**  cis-177.4141.5-26.9173.7178.5179.5-163.82.2104.9
65S43.1Very low40.7Very low94 Ų94146.9 Ų146.966%0.65781%0.806SS**  trans77.8128.615058.80000123.6
66R40.7Very low40.8Very low253 Ų253150.1 Ų150.196%0.95580%0.803SS**  trans89.2111.6133.7-83.3177.7169.9-167.7-3.3118
67G38.2Very low41Very low74 Ų74152.2 Ų152.276%0.76381%0.805SS**  trans168.2105.2159.500000109.9
68Q38.8Very low41Very low187 Ų187152.5 Ų152.587%0.87480%0.804SS**  trans-54.8137.4174.8-68.3-179.9-6100111.1
69V41.7Very low41Very low142 Ų142156.1 Ų156.186%0.86180%0.8SS**  trans-144.8115.9141.1-149.60000107.6S71V69-S71 PolarHBondContact O-N 2.92Å
70E36.3Very low40.8Very low182 Ų182159.8 Ų159.885%0.8580%0.798SS**  trans-52129165.9-75.8161.4102.800109.4
71S41.5Very low41.1Very low116 Ų116165.4 Ų165.481%0.81180%0.799SS**  trans-123.2119.8156.173.30000108V69 F73V69-S71 PolarHBondContact O-N 2.92Å; S71-F73 PolarHBondContact O-N 2.71Å
72T44.6Very low41.1Very low136 Ų136166.8 Ų166.883%0.83480%0.795SS**  trans-44.1112.4177.643.10000112.2S74T72-S74 PolarHBondContact O-N 2.88Å
73F44.1Very low41.4Very low166 Ų166165.3 Ų165.373%0.72880%0.796SS**  trans-67.7101.5160.5-172.6-97000107.5S71 S75S71-F73 PolarHBondContact O-N 2.71Å; F73-S75 PolarHBondContact O-N 3.06Å
74S37.7Very low41.4Very low94 Ų94162.1 Ų162.166%0.65779%0.788SS**  trans-62.1106.3176.2-1680000109.2T72 Y76T72-S74 PolarHBondContact O-N 2.88Å; S74-Y76 WeakPolarHBondContact O-CD1 3.48Å; S74-Y76 PolarHBondContact O-N 2.97Å
75S39.4Very low42.1Very low98 Ų98157.5 Ų157.569%0.68579%0.786SS**  trans-62.699.4172-82.80000110.3F73 K77F73-S75 PolarHBondContact O-N 3.06Å; S75-K77 VanDerWaalsContact C-N 3.25Å; S75-K77 PolarHBondContact O-N 3.04Å
76Y36.7Very low41.8Very low190 Ų190159 Ų15975%0.74580%0.795SS**  trans-76.986.3154.836.8-88.8000108.8S74 R78S74-Y76 WeakPolarHBondContact O-CD1 3.48Å; S74-Y76 PolarHBondContact O-N 2.97Å; Y76-R78 VanDerWaalsContact C-N 3.33Å; Y76-R78 PolarHBondContact O-N 3.15Å
77K43.5Very low42.1Very low196 Ų196150.1 Ų150.185%0.85278%0.782SS**  trans-55.193.4157.9-102.3177.6174.8171.10108.6S75 R79S75-K77 VanDerWaalsContact C-N 3.25Å; S75-K77 PolarHBondContact O-N 3.04Å; K77-R79 PolarHBondContact O-N 2.78Å
78R41.1Very low42.7Very low242 Ų242157.2 Ų157.291%0.91379%0.786SS**  trans-78.596.9155.5-95.4-167.7-160.8178.57.9107.9Y76 R80Y76-R78 VanDerWaalsContact C-N 3.33Å; Y76-R78 PolarHBondContact O-N 3.15Å; R78-R80 PolarHBondContact O-N 3.05Å
79R39.7Very low42.8Very low191 Ų191155.2 Ų155.272%0.72178%0.781SS**  trans-60.5102.8169.2-163.4-173.5-73.8-132.37.4107.7K77 R81K77-R79 PolarHBondContact O-N 2.78Å; R79-R81 VanDerWaalsContact C-N 3.31Å; R79-R81 HydrophobicContact CG-CG 4.23Å; R79-R81 PolarHBondContact O-N 3.24Å
80R42.8Very low43.2Very low221 Ų221153.8 Ų153.883%0.83478%0.778SS**  trans-65.294.7164.4-162-172.7-144.9-146.710.1106.3R78 E82R78-R80 PolarHBondContact O-N 3.05Å; R80-E82 IonicContact NH1-OE1 3.92Å
81R43.2Very low43.8Very low181 Ų181150.5 Ų150.568%0.68377%0.772SS**  trans-88.9109.6163.4-79.4-170.2-176.6129.4-4.3106.4R79 L83R79-R81 VanDerWaalsContact C-N 3.31Å; R79-R81 HydrophobicContact CG-CG 4.23Å; R79-R81 PolarHBondContact O-N 3.24Å; R81-L83 PolarHBondContact O-N 3.35Å
82E42.5Very low44.1Very low159 Ų159152.5 Ų152.574%0.74377%0.773SS**  trans-44.3118.3159.2-59.6-81.2124.100108.3R80R80-E82 IonicContact NH1-OE1 3.92Å
83L47.8Very low44.1Very low167 Ų167151.1 Ų151.187%0.87477%0.769SS**  trans-99.2106167.1-93140000107R81R81-L83 PolarHBondContact O-N 3.35Å
84S45.5Very low44.1Very low95 Ų95150.7 Ų150.766%0.66477%0.774SS**  trans-53.9139.5164.3-171.40000110.1C86S84-C86 PolarHBondContact O-N 3.19Å
85P56Low44.6Very low124 Ų124152 Ų15281%0.80578%0.78SS**  trans-79.2109.2172.314.8-2.7000109.4G87P85-G87 PolarHBondContact O-N 3.35Å
86C37.4Very low44.6Very low126 Ų126151.8 Ų151.885%0.85178%0.784SS**  trans-72.4116.7168-65.20000109.1S84S84-C86 PolarHBondContact O-N 3.19Å
87G45.4Very low45Very low66 Ų66151.3 Ų151.368%0.6879%0.789SS**  trans-75.8161.6158.900000111.2P85P85-G87 PolarHBondContact O-N 3.35Å
88R51.3Low44.9Very low223 Ų223148.8 Ų148.884%0.84278%0.784SS**  trans91.2114161.7-75.5-166.3-79-170.2-3118.6
89D41.2Very low44.5Very low144 Ų144141.8 Ų141.877%0.7778%0.778SS**  trans87.4104.3133.3-50.7-21.8000117.4
90S50.7Low44.4Very low112 Ų112139 Ų13978%0.78378%0.782SS**  trans-62.9-168.8161.3-30.10000111.1
91P47.4Very low44.3Very low113 Ų113132.9 Ų132.973%0.73477%0.773SS**  cis-134.4-172.1-19.827.4-4.3000112.2
92L48.6Very low44.2Very low158 Ų158129.8 Ų129.883%0.82777%0.774SS**  trans99.5129.6139-150.769.8000118.3
93S44.5Very low44.2Very low107 Ų107129.4 Ų129.475%0.74878%0.777SS**  trans100.996.7156.9-24.50000117.3
94D44.3Very low44Very low158 Ų158125.5 Ų125.585%0.84576%0.762SS**  trans-55.7160.3152.6-52.8-49.4000109.9
95P46.8Very low43.8Very low120 Ų120128.1 Ų128.178%0.77977%0.767SS**  cis-150.817343.839.3-16.8000117.7
96A41.2Very low43.1Very low94 Ų94129.2 Ų129.278%0.77776%0.761SS**  trans65.9150.1154.700000119.8
97E43.9Very low43.4Very low181 Ų181127.4 Ų127.485%0.84674%0.742SS**  trans80.3101.2159.9-145.4-178.113100116.7
98L41.2Very low43.1Very low143 Ų143132.5 Ų132.575%0.74975%0.746SS**  172.4104.7107.7-16170.6000109.7
99A32.9Very low43Very low94 Ų94124.2 Ų124.278%0.77772%0.718SS**  trans-61.9130.6159.600000109
100T38.6Very low43Very low133 Ų133120.3 Ų120.382%0.81670%0.697SS**  trans156.9125.6162.3-67.70000104.8
101S39.8Very low43Very low92 Ų92119.3 Ų119.364%0.64369%0.69SS**  cis-153.1132.730.258.50000110.7
102V41Very low43.2Very low117 Ų117119 Ų11971%0.70968%0.683SS**  trans-1.9120.1141.5-78.70000116.8
103N43.3Very low43.4Very low150 Ų150114.4 Ų114.480%0.80266%0.661SS**  -157.279.8124.3-75.9-51.5000107.2I105N103-I105 PolarHBondContact O-N 3.03Å; N103-I105 VanDerWaalsContact O-N 3.09Å
104P43.3Very low43.8Very low85 Ų85113 Ų11355%0.55265%0.645SS**  trans-60.3116.1147.228.1-26000104.2E106P104-E106 HydrophobicContact CB-CG 4.34Å; P104-E106 HydrophobicContact CG-CG 4.23Å; P104-E106 PolarHBondContact O-N 3.43Å
105I41.5Very low44.2Very low150 Ų150109.9 Ų109.977%0.76963%0.632SS**  trans-59.286.3152.5-66.2172.1000102.3N103 I107N103-I105 PolarHBondContact O-N 3.03Å; N103-I105 VanDerWaalsContact O-N 3.09Å; I105-I107 VanDerWaalsContact C-N 3.25Å; I105-I107 WeakPolarHBondContact O-CG1 3.41Å; I105-I107 PolarHBondContact O-N 3.18Å
106E40.9Very low44.4Very low147 Ų147109.3 Ų109.369%0.68763%0.626SS**  trans-57.1107.5167.2-82.1-64.8141.900102.8P104 F108P104-E106 HydrophobicContact CB-CG 4.34Å; P104-E106 HydrophobicContact CG-CG 4.23Å; P104-E106 PolarHBondContact O-N 3.43Å; E106-F108 PolarHBondContact O-N 2.85Å
107I43.2Very low45.2Very low88 Ų88106.8 Ų106.845%0.45160%0.599SS.*  trans-63.781.1172.6-63.7167.6000103.3I105 L109 V131I105-I107 VanDerWaalsContact C-N 3.25Å; I105-I107 WeakPolarHBondContact O-CG1 3.41Å; I105-I107 PolarHBondContact O-N 3.18Å; I107-L109 HydrophobicContact CG2-CB 4.21Å; I107-L109 HydrophobicContact CG2-CD1 3.31Å; I107-L109 HydrophobicContact CG2-CG 3.44Å; I107-L109 VanDerWaalsContact CG2-CG 3.44Å; I107-L109 PolarHBondContact O-N 3.4Å; I107-V131 HydrophobicContact CD1-CG1 4.47Å
108F38.9Very low45.2Very low173 Ų173105.9 Ų105.976%0.75959%0.588SS**  trans-73.761.9169.3-159.3-104.5000106.8E106 N110E106-F108 PolarHBondContact O-N 2.85Å; F108-N110 WeakPolarHBondContact CD1-OD1 2.75Å; F108-N110 WeakPolarHBondContact CE1-OD1 2.99Å; F108-N110 PolarHBondContact O-N 3.27Å; F108-N110 VanDerWaalsContact O-N 3.15Å
109L49.6Very low45.6Very low49 Ų49103.3 Ų103.326%0.25758%0.579SS.*  trans-70.797.3152.7-69.2166.2000103I107 S111 L114 Q162I107-L109 HydrophobicContact CG2-CB 4.21Å; I107-L109 HydrophobicContact CG2-CD1 3.31Å; I107-L109 HydrophobicContact CG2-CG 3.44Å; I107-L109 VanDerWaalsContact CG2-CG 3.44Å; I107-L109 PolarHBondContact O-N 3.4Å; L109-S111 PolarHBondContact O-N 2.75Å; L109-L114 HydrophobicContact CB-CD1 4.04Å; L109-L114 HydrophobicContact CB-CD2 4.23Å; L109-L114 HydrophobicContact CB-CG 4.07Å; L109-L114 HydrophobicContact CD1-CD1 4.31Å; L109-L114 HydrophobicContact CD1-CD2 4.18Å; L109-L114 HydrophobicContact CD2-CD2 4.1Å; L109-L114 HydrophobicContact CG-CD2 4.39Å; L109-Q162 HydrophobicContact CD2-CG 4.24Å
110N41.6Very low46Very low62 Ų62107.5 Ų107.533%0.33258%0.58SS.*  trans-45121.4162.6-82.159.7000106F108 D112 T113 L114F108-N110 WeakPolarHBondContact CD1-OD1 2.75Å; F108-N110 WeakPolarHBondContact CE1-OD1 2.99Å; F108-N110 PolarHBondContact O-N 3.27Å; F108-N110 VanDerWaalsContact O-N 3.15Å; N110-D112 HydrophobicContact CB-CB 4.1Å; N110-D112 PolarHBondContact ND2-OD2 3.28Å; N110-D112 VanDerWaalsContact ND2-OD2 3.15Å; N110-D112 PolarHBondContact O-N 3.15Å; N110-T113 HydrophobicContact CB-CG2 4.32Å; N110-T113 PolarHBondContact O-N 2.94Å; N110-T113 PolarHBondContact O-OG1 2.91Å; N110-L114 PolarHBondContact O-N 3.36Å
111S51.2Low46.3Very low91 Ų91108 Ų10864%0.63658%0.577SS**Hα-helixtrans-43.3-32.7169.4-56.80000110.7L109 L114 T115L109-S111 PolarHBondContact O-N 2.75Å; S111-L114 PolarHBondContact O-N 3.4Å; S111-T115 WeakPolarHBondContact O-CG2 3.47Å; S111-T115 PolarHBondContact O-N 2.98Å
112D50.5Low46.1Very low107 Ų107111.2 Ų111.257%0.57258%0.582SS**Hα-helixtrans-59.2-44.2175.1-40.2-38.9000113.4N110 L114 T115N110-D112 HydrophobicContact CB-CB 4.1Å; N110-D112 PolarHBondContact ND2-OD2 3.28Å; N110-D112 VanDerWaalsContact ND2-OD2 3.15Å; N110-D112 PolarHBondContact O-N 3.15Å; D112-L114 VanDerWaalsContact C-N 3.34Å; D112-L114 PolarHBondContact O-N 2.9Å; D112-T115 PolarHBondContact O-N 3.36Å; D112-T115 PolarHBondContact O-OG1 2.78Å
113T53.9Low46.1Very low62 Ų62110.5 Ų110.538%0.3858%0.577SS.*Hα-helixtrans-71.6-28.4177.353.80000113N110 T115 V116 I117N110-T113 HydrophobicContact CB-CG2 4.32Å; N110-T113 PolarHBondContact O-N 2.94Å; N110-T113 PolarHBondContact O-OG1 2.91Å; T113-T115 VanDerWaalsContact C-N 3.34Å; T113-V116 PolarHBondContact O-N 2.91Å; T113-I117 WeakPolarHBondContact O-CG1 3.31Å; T113-I117 PolarHBondContact O-N 3.22Å
114L53.1Low45.8Very low78 Ų78109.5 Ų109.541%0.40857%0.572SS.*Hα-helixtrans-72.8-26.6175.3-63.6-171.4000112.3L109 N110 S111 D112 V116 R118L109-L114 HydrophobicContact CB-CD1 4.04Å; L109-L114 HydrophobicContact CB-CD2 4.23Å; L109-L114 HydrophobicContact CB-CG 4.07Å; L109-L114 HydrophobicContact CD1-CD1 4.31Å; L109-L114 HydrophobicContact CD1-CD2 4.18Å; L109-L114 HydrophobicContact CD2-CD2 4.1Å; L109-L114 HydrophobicContact CG-CD2 4.39Å; N110-L114 PolarHBondContact O-N 3.36Å; S111-L114 PolarHBondContact O-N 3.4Å; D112-L114 VanDerWaalsContact C-N 3.34Å; D112-L114 PolarHBondContact O-N 2.9Å; L114-V116 VanDerWaalsContact C-N 3.33Å; L114-R118 WeakPolarHBondContact O-CD 3.31Å; L114-R118 WeakPolarHBondContact O-CG 3.33Å; L114-R118 PolarHBondContact O-N 2.66Å
115T51.1Low45.4Very low92 Ų92109.6 Ų109.656%0.56459%0.589SS**Hα-helixtrans-69.7-30.317367.60000113.1S111 D112 T113S111-T115 WeakPolarHBondContact O-CG2 3.47Å; S111-T115 PolarHBondContact O-N 2.98Å; D112-T115 PolarHBondContact O-N 3.36Å; D112-T115 PolarHBondContact O-OG1 2.78Å; T113-T115 VanDerWaalsContact C-N 3.34Å
116V52.4Low45.2Very low108 Ų108113.1 Ų113.166%0.65559%0.594SS**Hα-helixtrans-80.6-29-178.4178.10000112.2T113 L114T113-V116 PolarHBondContact O-N 2.91Å; L114-V116 VanDerWaalsContact C-N 3.33Å
117I56.7Low45Very low40 Ų40111.3 Ų111.321%0.20560%0.597CS.*SBendtrans-94.23.4179.5-53.8161.2000111.5T113 P119 F138 I161 L165T113-I117 WeakPolarHBondContact O-CG1 3.31Å; T113-I117 PolarHBondContact O-N 3.22Å; I117-P119 WeakPolarHBondContact O-CD 3.49Å; I117-F138 HydrophobicContact CG2-CD2 4.2Å; I117-F138 HydrophobicContact CG2-CE2 3.5Å; I117-F138 VanDerWaalsContact CG2-CE2 3.5Å; I117-F138 HydrophobicContact CG2-CZ 3.92Å; I117-I161 HydrophobicContact CD1-CG2 4.45Å; I117-L165 HydrophobicContact CD1-CD1 3.29Å; I117-L165 HydrophobicContact CG1-CD1 4.44Å
118R45Very low45.2Very low163 Ų163113.1 Ų113.162%0.61561%0.607SS**  trans-76102.8172.6-86.2166.4123.6-145.9-5.6110.4L114 K120L114-R118 WeakPolarHBondContact O-CD 3.31Å; L114-R118 WeakPolarHBondContact O-CG 3.33Å; L114-R118 PolarHBondContact O-N 2.66Å; R118-K120 PolarHBondContact O-N 2.98Å
119P48.6Very low45.5Very low88 Ų88110.3 Ų110.357%0.57161%0.606SS**  trans-61.7128.2151.229.4-32.1000106.4I117 L121I117-P119 WeakPolarHBondContact O-CD 3.49Å; P119-L121 PolarHBondContact O-N 2.87Å
120K41.2Very low45.7Very low182 Ų182114.2 Ų114.279%0.79163%0.627SS**  trans-61.584.1166.7-177.4164.7179.2169.70108R118 E122R118-K120 PolarHBondContact O-N 2.98Å; K120-E122 WeakPolarHBondContact CE-OE2 3.47Å; K120-E122 IonicContact NZ-OE2 3.9Å
121L45.6Very low46.6Very low143 Ų143115.6 Ų115.675%0.74964%0.638SS**  trans-97.775.6174.2-165.575.9000108P119 V123P119-L121 PolarHBondContact O-N 2.87Å; L121-V123 VanDerWaalsContact C-N 3.28Å; L121-V123 PolarHBondContact O-N 3.19Å
122E35.1Very low47.4Very low161 Ų161113.8 Ų113.875%0.75263%0.629SS**  trans-78.681.1159.7-85.1179.1130.600108.2K120K120-E122 WeakPolarHBondContact CE-OE2 3.47Å; K120-E122 IonicContact NZ-OE2 3.9Å
123V42.3Very low48.9Very low101 Ų101110.6 Ų110.661%0.61261%0.614SS**  trans-147.2103.8159.2-175.80000107.4L121L121-V123 VanDerWaalsContact C-N 3.28Å; L121-V123 PolarHBondContact O-N 3.19Å
124N36.6Very low50.3Low130 Ų130111.2 Ų111.270%0.69562%0.62SS**SBendtrans80.183.8165.1-53.2-1.8000117.8Y126N124-Y126 VanDerWaalsContact C-N 3.34Å; N124-Y126 WeakPolarHBondContact O-CD2 3.36Å; N124-Y126 PolarHBondContact O-N 2.86Å
125G34.6Very low51.9Low87 Ų87114.3 Ų114.390%0.89764%0.636SS**  63.67.1122.700000121.7
126Y37.6Very low53.6Low223 Ų223113.6 Ų113.688%0.87563%0.629SS**  trans-105.3114.6176.7-62.4-71.8000112.2N124N124-Y126 VanDerWaalsContact C-N 3.34Å; N124-Y126 WeakPolarHBondContact O-CD2 3.36Å; N124-Y126 PolarHBondContact O-N 2.86Å
127S36Very low55.3Low110 Ų110112.6 Ų112.677%0.76962%0.619SS**  trans-43.1127.6173.6173.40000114.3
128L48.6Very low56.6Low126 Ų126114.7 Ų114.766%0.6663%0.626SS**  trans-85.1118.1156.5-79.9166.5000107.3
129P44.4Very low58.6Low114 Ų114108.7 Ų108.774%0.7461%0.609SS**  -141.983.79736-19.9000108.7
130N54.1Low60.3Low130 Ų130107.6 Ų107.670%0.69560%0.603SS**SBendtrans-139.8119.7170.7-149.933.9000108.4A132N130-A132 PolarHBondContact O-N 2.99Å
131V59.7Low62Low92 Ų9299.7 Ų99.756%0.55857%0.571SS**  trans-36.8112.2164.2178.50000106.8I107 S133I107-V131 HydrophobicContact CD1-CG1 4.47Å; V131-S133 PolarHBondContact O-N 3.45Å
132A68.9Low63.4Low53 Ų5397.5 Ų97.544%0.43857%0.565SS.*  trans-50.2123.5178.700000107.1N130 V158N130-A132 PolarHBondContact O-N 2.99Å; A132-V158 HydrophobicContact CB-CG1 4.06Å; A132-V158 HydrophobicContact CB-CG2 4.35Å
133S82.5Confident65Low39 Ų3991 Ų9127%0.27354%0.54SS..  trans-64.3142.3-172.391.70000107.4V131 L135 D136V131-S133 PolarHBondContact O-N 3.45Å; S133-L135 PolarHBondContact O-N 2.8Å; S133-L135 PolarHBondContact OG-N 2.52Å; S133-D136 PolarHBondContact N-OD2 3.05Å; S133-D136 WeakPolarHBondContact O-CB 3.48Å; S133-D136 PolarHBondContact O-N 3.39Å; S133-D136 PolarHBondContact OG-N 3.01Å; S133-D136 PolarHBondContact OG-OD1 3.25Å
134P82.3Confident65.9Low75 Ų7595 Ų9549%0.48755%0.545SS..THydrogen-bonded Turntrans-61-10.4178.424.9-34.3000112.9T157 G159P134-T157 WeakPolarHBondContact O-CB 3.38Å; P134-T157 PolarHBondContact O-OG1 3.48Å; P134-G159 VanDerWaalsContact O-CA 3.31Å; P134-G159 WeakPolarHBondContact O-CA 3.45Å; P134-G159 PolarHBondContact O-N 2.71Å
135L86Confident67Low143 Ų14396.9 Ų96.975%0.74955%0.554SS**THydrogen-bonded Turntrans-92.3-14.5177.2-57.3178000113.2S133S133-L135 PolarHBondContact O-N 2.8Å; S133-L135 PolarHBondContact OG-N 2.52Å
136D88.5Confident68.2Low78 Ų7894.9 Ų94.942%0.41753%0.526SS..SBendtrans-63.5140.7-179.4-68.1-12.8000110.3S133 T157 V158S133-D136 PolarHBondContact N-OD2 3.05Å; S133-D136 WeakPolarHBondContact O-CB 3.48Å; S133-D136 PolarHBondContact O-N 3.39Å; S133-D136 PolarHBondContact OG-N 3.01Å; S133-D136 PolarHBondContact OG-OD1 3.25Å; D136-T157 CarbonylContact O-C 3.58Å; D136-T157 WeakPolarHBondContact O-CA 3.4Å; D136-T157 WeakPolarHBondContact O-CB 3.13Å; D136-V158 HydrophobicContact CB-CG2 3.89Å; D136-V158 PolarHBondContact O-N 3.41Å
137I86.6Confident69.2Low87 Ų8791.9 Ų91.945%0.44653%0.525SS..EExtended strand (participates in β ladder)trans-85.1119.4179.8-59.1164.8000108.5K155 V156I137-K155 HydrophobicContact CD1-CB 4.23Å; I137-K155 HydrophobicContact CD1-CD 3.62Å; I137-K155 HydrophobicContact CD1-CG 4.06Å; I137-K155 HydrophobicContact CG1-CB 4.27Å; I137-K155 HydrophobicContact CG2-CB 4.16Å; I137-K155 HydrophobicContact CG2-CG 4.45Å; I137-V156 CarbonylContact C-O 3.38Å
138F85.4Confident70.4Confident83 Ų8395.1 Ų95.136%0.36453%0.532SS..EExtended strand (participates in β ladder)trans-80-48.9175.3180-101.8000111.8I117 V156 V158 I161I117-F138 HydrophobicContact CG2-CD2 4.2Å; I117-F138 HydrophobicContact CG2-CE2 3.5Å; I117-F138 VanDerWaalsContact CG2-CE2 3.5Å; I117-F138 HydrophobicContact CG2-CZ 3.92Å; F138-V156 PolarHBondContact N-O 3.46Å; F138-V158 HydrophobicContact CB-CG2 4.31Å; F138-I161 HydrophobicContact CB-CG1 4.17Å; F138-I161 HydrophobicContact CD1-CD1 4.3Å; F138-I161 HydrophobicContact CD1-CG1 4.14Å; F138-I161 HydrophobicContact CG-CG1 4.18Å
139C85.6Confident70.9Confident37 Ų3794.9 Ų94.925%0.2554%0.541CS..EExtended strand (participates in β ladder)trans-152.6162177.471.10000112.4V156C139-V156 PolarHBondContact N-O 3.34Å; C139-V156 WeakPolarHBondContact O-CB 3.37Å; C139-V156 PolarHBondContact O-N 2.74Å
140S84.1Confident71.5Confident65 Ų6593.6 Ų93.646%0.45554%0.535SS..EExtended strand (participates in β ladder)trans-109.8116.2172.7-69.70000109.4Y154S140-Y154 CarbonylContact C-O 3.56Å; S140-Y154 VanDerWaalsContact CA-O 3.31Å; S140-Y154 WeakPolarHBondContact CA-O 3.49Å
141V77.8Confident72.1Confident17 Ų1794.3 Ų94.310%0.10354%0.544CS..EExtended strand (participates in β ladder)trans-96.4134.8-177.4169.90000109.5G143 K153 Y154 V156 L180V141-G143 PolarHBondContact O-N 3.03Å; V141-K153 CarbonylContact O-C 3.53Å; V141-K153 WeakPolarHBondContact O-CA 3.13Å; V141-Y154 PolarHBondContact N-O 3.35Å; V141-Y154 PolarHBondContact O-N 3.32Å; V141-V156 HydrophobicContact CB-CG2 4.42Å; V141-V156 HydrophobicContact CG2-CG2 3.67Å; V141-L180 WeakPolarHBondContact CG1-O 3.49Å; V141-L180 HydrophobicContact CG2-CB 3.84Å; V141-L180 HydrophobicContact CG2-CD2 4.04Å; V141-L180 HydrophobicContact CG2-CG 4.47Å; V141-L180 WeakPolarHBondContact CG2-O 3.26Å
142P74.3Confident72.5Confident97 Ų9794 Ų9463%0.6355%0.546SS*.  trans-56.9123.4168.624.4-32.9000108.6R144P142-R144 VanDerWaalsContact C-N 3.32Å; P142-R144 PolarHBondContact O-N 3.13Å
143G68.4Low73.1Confident23 Ų2398.8 Ų98.824%0.23756%0.557CS.*  trans-65.185.8-169.700000112.5V141 L145 S146V141-G143 PolarHBondContact O-N 3.03Å; G143-L145 PolarHBondContact O-N 3.07Å; G143-S146 WeakPolarHBondContact O-CB 3.32Å; G143-S146 PolarHBondContact O-N 3.18Å
144R62.6Low73.1Confident185 Ų185102.1 Ų102.170%0.69856%0.564SS**THydrogen-bonded Turntrans-69.1-14.7173.7-129.8-129.3-153.9175.618.5113.1P142 R182P142-R144 VanDerWaalsContact C-N 3.32Å; P142-R144 PolarHBondContact O-N 3.13Å; R144-R182 VanDerWaalsContact CB-O 3.31Å; R144-R182 WeakPolarHBondContact CB-O 3.43Å; R144-R182 WeakPolarHBondContact CD-O 3.11Å; R144-R182 WeakPolarHBondContact CD-OXT 3.12Å; R144-R182 WeakPolarHBondContact CG-O 3.09Å; R144-R182 PolarHBondContact NE-O 3.46Å; R144-R182 PolarHBondContact NE-OXT 3.46Å; R144-R182 PolarHBondContact NH2-OXT 3.37Å
145L59.4Low73.3Confident171 Ų171104.8 Ų104.890%0.89557%0.568SS**THydrogen-bonded Turntrans-94.7-13.7170.2-60.9179.7000113.2G143 L147G143-L145 PolarHBondContact O-N 3.07Å; L145-L147 PolarHBondContact O-N 3.18Å
146S59.2Low73.3Confident45 Ų4598 Ų9832%0.31553%0.533SS..SBendtrans-77.5113.1176.4-56.30000107.6G143 L148G143-S146 WeakPolarHBondContact O-CB 3.32Å; G143-S146 PolarHBondContact O-N 3.18Å; S146-L148 PolarHBondContact O-N 3.05Å
147L59.6Low73.3Confident160 Ų16096 Ų9684%0.83852%0.523SS*.  trans-48.8129176.3-66.9172.1000109.6L145 S149 S150L145-L147 PolarHBondContact O-N 3.18Å; L147-S149 PolarHBondContact O-N 3.35Å; L147-S150 PolarHBondContact O-N 2.81Å
148L61.5Low73.4Confident178 Ų17893.5 Ų93.593%0.93251%0.512SS*.THydrogen-bonded Turntrans-44.991.1-174.5-66.4166.2000111.8S146S146-L148 PolarHBondContact O-N 3.05Å
149S58Low73.5Confident121 Ų12189.6 Ų89.685%0.84650%0.495SS*.THydrogen-bonded Turntrans163.7-24.5165.7-78.90000112.1L147 T151L147-S149 PolarHBondContact O-N 3.35Å; S149-T151 PolarHBondContact O-N 3.25Å
150S57.5Low73.6Confident87 Ų8788.7 Ų88.761%0.60849%0.488SS*.  trans-93.497.2172.7-79.40000110.9L147 S152L147-S150 PolarHBondContact O-N 2.81Å; S150-S152 PolarHBondContact O-N 3.49Å
151T65.6Low73.7Confident144 Ų14485.9 Ų85.988%0.88347%0.467SS*.  trans-74.341.4178.9560000113.7S149S149-T151 PolarHBondContact O-N 3.25Å
152S69.7Low74.1Confident86 Ų8688 Ų8860%0.60148%0.476SS*.PPolyproline II helixtrans-82.1124.4172.1-81.40000110.4S150S150-S152 PolarHBondContact O-N 3.49Å
153K79.8Confident74.7Confident153 Ų15390.3 Ų90.367%0.66547%0.472SS*.PPolyproline II helixtrans-72.9130.8173.7-60.4179.6-177.61740109.4V141 K155V141-K153 CarbonylContact O-C 3.53Å; V141-K153 WeakPolarHBondContact O-CA 3.13Å; K153-K155 PolarHBondContact O-N 3.37Å
154Y83.3Confident75.5Confident110 Ų11091.3 Ų91.343%0.43147%0.469SS..EExtended strand (participates in β ladder)trans-73.1118.3174.6-178.8-108.8000109.7S140 V141 V156 E160S140-Y154 CarbonylContact C-O 3.56Å; S140-Y154 VanDerWaalsContact CA-O 3.31Å; S140-Y154 WeakPolarHBondContact CA-O 3.49Å; V141-Y154 PolarHBondContact N-O 3.35Å; V141-Y154 PolarHBondContact O-N 3.32Å; Y154-V156 HydrophobicContact CD1-CG2 3.56Å; Y154-V156 HydrophobicContact CE1-CB 4.45Å; Y154-V156 HydrophobicContact CE1-CG2 3.7Å; Y154-V156 PolarHBondContact O-N 2.78Å; Y154-E160 WeakPolarHBondContact CE1-OE2 3.12Å; Y154-E160 PolarHBondContact OH-OE2 2.76Å
155K86.9Confident76.4Confident131 Ų13184.6 Ų84.657%0.5745%0.447SS*.EExtended strand (participates in β ladder)trans-86.2106.2178.3-70.3173.1167.9-167.10109I137 K153I137-K155 HydrophobicContact CD1-CB 4.23Å; I137-K155 HydrophobicContact CD1-CD 3.62Å; I137-K155 HydrophobicContact CD1-CG 4.06Å; I137-K155 HydrophobicContact CG1-CB 4.27Å; I137-K155 HydrophobicContact CG2-CB 4.16Å; I137-K155 HydrophobicContact CG2-CG 4.45Å; K153-K155 PolarHBondContact O-N 3.37Å
156V85.5Confident77.5Confident0 Ų078.5 Ų78.50%042%0.418CS..EExtended strand (participates in β ladder)trans-83.5121.4178-175.50000107.9I137 F138 C139 V141 Y154 E160 I161 L180I137-V156 CarbonylContact C-O 3.38Å; F138-V156 PolarHBondContact N-O 3.46Å; C139-V156 PolarHBondContact N-O 3.34Å; C139-V156 WeakPolarHBondContact O-CB 3.37Å; C139-V156 PolarHBondContact O-N 2.74Å; V141-V156 HydrophobicContact CB-CG2 4.42Å; V141-V156 HydrophobicContact CG2-CG2 3.67Å; Y154-V156 HydrophobicContact CD1-CG2 3.56Å; Y154-V156 HydrophobicContact CE1-CB 4.45Å; Y154-V156 HydrophobicContact CE1-CG2 3.7Å; Y154-V156 PolarHBondContact O-N 2.78Å; V156-E160 HydrophobicContact CG1-CB 4.42Å; V156-E160 HydrophobicContact CG1-CG 4.44Å; V156-I161 HydrophobicContact CG1-CD1 3.54Å; V156-I161 HydrophobicContact CG1-CG1 3.96Å; V156-L180 HydrophobicContact CB-CD2 4.49Å; V156-L180 HydrophobicContact CG1-CD1 4.46Å; V156-L180 HydrophobicContact CG1-CD2 4.07Å; V156-L180 HydrophobicContact CG2-CD2 3.64Å
157T89.3Confident78.1Confident35 Ų3581.6 Ų81.622%0.21544%0.437CS..EExtended strand (participates in β ladder)trans-89.1158.3178.871.70000112.2P134 D136 G159 E160 I161P134-T157 WeakPolarHBondContact O-CB 3.38Å; P134-T157 PolarHBondContact O-OG1 3.48Å; D136-T157 CarbonylContact O-C 3.58Å; D136-T157 WeakPolarHBondContact O-CA 3.4Å; D136-T157 WeakPolarHBondContact O-CB 3.13Å; T157-G159 PolarHBondContact O-N 3.33Å; T157-E160 WeakPolarHBondContact O-CB 3.37Å; T157-E160 PolarHBondContact O-N 2.8Å; T157-E160 PolarHBondContact OG1-N 3.05Å; T157-I161 PolarHBondContact O-N 3.38Å; T157-I161 VanDerWaalsContact O-N 3.07Å
158V87.8Confident78.3Confident35 Ų3579.8 Ų79.821%0.21244%0.435CS..Hα-helixtrans-57.5-39.6171.9174.50000110.2A132 D136 F138 E160 I161 Q162A132-V158 HydrophobicContact CB-CG1 4.06Å; A132-V158 HydrophobicContact CB-CG2 4.35Å; D136-V158 HydrophobicContact CB-CG2 3.89Å; D136-V158 PolarHBondContact O-N 3.41Å; F138-V158 HydrophobicContact CB-CG2 4.31Å; V158-E160 VanDerWaalsContact C-N 3.28Å; V158-E160 PolarHBondContact O-N 2.83Å; V158-I161 PolarHBondContact O-N 2.82Å; V158-Q162 WeakPolarHBondContact O-CB 3.37Å; V158-Q162 PolarHBondContact O-N 3.3Å
159G87.9Confident79Confident2 Ų276.7 Ų76.72%0.02142%0.416CS..Hα-helixtrans-63.8-31175.500000113.4P134 T157 R163P134-G159 VanDerWaalsContact O-CA 3.31Å; P134-G159 WeakPolarHBondContact O-CA 3.45Å; P134-G159 PolarHBondContact O-N 2.71Å; T157-G159 PolarHBondContact O-N 3.33Å; G159-R163 WeakPolarHBondContact O-CB 3.47Å; G159-R163 VanDerWaalsContact O-CG 3.31Å; G159-R163 WeakPolarHBondContact O-CG 3.5Å; G159-R163 PolarHBondContact O-N 3.23Å; G159-R163 PolarHBondContact O-NH1 2.9Å
160E86.7Confident80.1Confident18 Ų1875.1 Ų75.18%0.08440%0.404CS..Hα-helixtrans-68.9-47.1170.9-178.4179.7142.300111.8Y154 V156 T157 V158 Q162 R163 R164Y154-E160 WeakPolarHBondContact CE1-OE2 3.12Å; Y154-E160 PolarHBondContact OH-OE2 2.76Å; V156-E160 HydrophobicContact CG1-CB 4.42Å; V156-E160 HydrophobicContact CG1-CG 4.44Å; T157-E160 WeakPolarHBondContact O-CB 3.37Å; T157-E160 PolarHBondContact O-N 2.8Å; T157-E160 PolarHBondContact OG1-N 3.05Å; V158-E160 VanDerWaalsContact C-N 3.28Å; V158-E160 PolarHBondContact O-N 2.83Å; E160-Q162 VanDerWaalsContact C-N 3.27Å; E160-Q162 PolarHBondContact O-N 3.44Å; E160-R163 PolarHBondContact O-N 3.05Å; E160-R164 WeakPolarHBondContact O-CG 3.31Å; E160-R164 PolarHBondContact O-N 2.87Å; E160-R164 IonicContact OE1-CZ 3.91Å; E160-R164 VanDerWaalsContact OE1-CZ 3.23Å; E160-R164 IonicContact OE1-NE 3.69Å; E160-R164 IonicContact OE1-NH1 2.71Å; E160-R164 IonicContact OE1-NH2 3.23Å; E160-R164 PolarHBondContact OE1-NH2 3.27Å
161I87.2Confident81.3Confident6 Ų673 Ų733%0.03139%0.386CS..Hα-helixtrans-56.7-46175.6-61.7-55.6000110.3I117 F138 V156 T157 V158 R163 R164 L165 L176 L180I117-I161 HydrophobicContact CD1-CG2 4.45Å; F138-I161 HydrophobicContact CB-CG1 4.17Å; F138-I161 HydrophobicContact CD1-CD1 4.3Å; F138-I161 HydrophobicContact CD1-CG1 4.14Å; F138-I161 HydrophobicContact CG-CG1 4.18Å; V156-I161 HydrophobicContact CG1-CD1 3.54Å; V156-I161 HydrophobicContact CG1-CG1 3.96Å; T157-I161 PolarHBondContact O-N 3.38Å; T157-I161 VanDerWaalsContact O-N 3.07Å; V158-I161 PolarHBondContact O-N 2.82Å; I161-R163 PolarHBondContact O-N 3.28Å; I161-R164 PolarHBondContact O-N 3.13Å; I161-R164 VanDerWaalsContact O-N 3.13Å; I161-L165 HydrophobicContact CG2-CD1 3.89Å; I161-L165 HydrophobicContact CG2-CG 4.4Å; I161-L165 VanDerWaalsContact O-CG 3.32Å; I161-L165 WeakPolarHBondContact O-CG 3.19Å; I161-L165 PolarHBondContact O-N 3.01Å; I161-L176 HydrophobicContact CD1-CD1 4.38Å; I161-L176 HydrophobicContact CG2-CD1 3.74Å; I161-L180 HydrophobicContact CD1-CD1 3.86Å
162Q85.6Confident81.9Confident60 Ų6071.4 Ų71.428%0.2837%0.372SS..Hα-helixtrans-60-43.7177.8-171.4175.56.900111.7L109 V158 E160 R164 L165 S166L109-Q162 HydrophobicContact CD2-CG 4.24Å; V158-Q162 WeakPolarHBondContact O-CB 3.37Å; V158-Q162 PolarHBondContact O-N 3.3Å; E160-Q162 VanDerWaalsContact C-N 3.27Å; E160-Q162 PolarHBondContact O-N 3.44Å; Q162-R164 VanDerWaalsContact C-N 3.3Å; Q162-R164 PolarHBondContact O-N 2.75Å; Q162-L165 PolarHBondContact O-N 3.21Å; Q162-S166 WeakPolarHBondContact O-CB 2.83Å; Q162-S166 PolarHBondContact O-N 3.3Å; Q162-S166 PolarHBondContact O-OG 3.32Å
163R87.2Confident82.2Confident146 Ų14669.2 Ų69.255%0.55136%0.359SS*.Hα-helixtrans-63.4-32.3175.4-77.9-172.6-59.5-89.72.4113.6G159 E160 I161 S166G159-R163 WeakPolarHBondContact O-CB 3.47Å; G159-R163 VanDerWaalsContact O-CG 3.31Å; G159-R163 WeakPolarHBondContact O-CG 3.5Å; G159-R163 PolarHBondContact O-N 3.23Å; G159-R163 PolarHBondContact O-NH1 2.9Å; E160-R163 PolarHBondContact O-N 3.05Å; I161-R163 PolarHBondContact O-N 3.28Å; R163-S166 WeakPolarHBondContact CA-OG 3.18Å; R163-S166 VanDerWaalsContact O-O 3.11Å; R163-S166 PolarHBondContact O-OG 2.85Å
164R84.8Confident82Confident44 Ų4466.9 Ų66.917%0.16636%0.361CS..Hα-helixtrans-74-33.2176.6-72.2-168176.3153.613.1112.7E160 I161 Q162 C170 L171 L176E160-R164 WeakPolarHBondContact O-CG 3.31Å; E160-R164 PolarHBondContact O-N 2.87Å; E160-R164 IonicContact OE1-CZ 3.91Å; E160-R164 VanDerWaalsContact OE1-CZ 3.23Å; E160-R164 IonicContact OE1-NE 3.69Å; E160-R164 IonicContact OE1-NH1 2.71Å; E160-R164 IonicContact OE1-NH2 3.23Å; E160-R164 PolarHBondContact OE1-NH2 3.27Å; I161-R164 PolarHBondContact O-N 3.13Å; I161-R164 VanDerWaalsContact O-N 3.13Å; Q162-R164 VanDerWaalsContact C-N 3.3Å; Q162-R164 PolarHBondContact O-N 2.75Å; R164-C170 PolarHBondContact O-N 3.18Å; R164-L171 HydrophobicContact CB-CD1 4.16Å; R164-L171 HydrophobicContact CG-CD1 4.33Å; R164-L171 PolarHBondContact O-N 3.07Å; R164-L176 HydrophobicContact CB-CD2 3.66Å; R164-L176 HydrophobicContact CG-CD2 4.25Å
165L82.5Confident81.8Confident45 Ų4565.8 Ų65.824%0.23636%0.363CS..Hα-helixtrans-81.3-30.6177.7-64.8175.9000112.1I117 I161 Q162 L171 A173 L176I117-L165 HydrophobicContact CD1-CD1 3.29Å; I117-L165 HydrophobicContact CG1-CD1 4.44Å; I161-L165 HydrophobicContact CG2-CD1 3.89Å; I161-L165 HydrophobicContact CG2-CG 4.4Å; I161-L165 VanDerWaalsContact O-CG 3.32Å; I161-L165 WeakPolarHBondContact O-CG 3.19Å; I161-L165 PolarHBondContact O-N 3.01Å; Q162-L165 PolarHBondContact O-N 3.21Å; L165-L171 WeakPolarHBondContact CD2-O 3.34Å; L165-A173 HydrophobicContact CD2-CB 3.94Å; L165-L176 HydrophobicContact CD1-CD1 4.27Å; L165-L176 HydrophobicContact CD2-CD1 3.7Å; L165-L176 HydrophobicContact CD2-CG 4.32Å; L165-L176 HydrophobicContact CG-CD1 4.02Å
166S82.4Confident81.5Confident43 Ų4360.1 Ų60.130%0.30134%0.339SS..SBendtrans-80.2163.8173.575.10000111.3Q162 R163 E169 C170Q162-S166 WeakPolarHBondContact O-CB 2.83Å; Q162-S166 PolarHBondContact O-N 3.3Å; Q162-S166 PolarHBondContact O-OG 3.32Å; R163-S166 WeakPolarHBondContact CA-OG 3.18Å; R163-S166 VanDerWaalsContact O-O 3.11Å; R163-S166 PolarHBondContact O-OG 2.85Å; S166-E169 PolarHBondContact O-N 2.74Å; S166-C170 PolarHBondContact O-N 3.49Å
167P71.8Confident81.1Confident110 Ų11061.9 Ų61.971%0.71436%0.356SS*.THydrogen-bonded Turntrans-51.8132.5159.6-20.432.6000107.8
168P63.9Low80.5Confident121 Ų12161.7 Ų61.779%0.78636%0.361SS*.THydrogen-bonded Turncis-99.3-8.530.135.9-36.7000118.2
169E76.2Confident80Confident113 Ų11363.5 Ų63.553%0.52837%0.369SS..THydrogen-bonded Turntrans-105.5-27.4-177.9-67.8176.4-172.800112.8S166 L171S166-E169 PolarHBondContact O-N 2.74Å; E169-L171 HydrophobicContact CB-CD1 4.26Å; E169-L171 HydrophobicContact CB-CG 4.08Å; E169-L171 PolarHBondContact O-N 3.19Å
170C80.8Confident79.4Confident89 Ų8964.1 Ų64.160%0.60137%0.372SS*.  trans41.142.6175.6-162.30000113.9R164 S166R164-C170 PolarHBondContact O-N 3.18Å; S166-C170 PolarHBondContact O-N 3.49Å
171L81.7Confident78.5Confident43 Ų4373.4 Ų73.423%0.22541%0.406CS..  trans-70.3139.2-178.1-67.3168000109.7R164 L165 E169 A173 I179R164-L171 HydrophobicContact CB-CD1 4.16Å; R164-L171 HydrophobicContact CG-CD1 4.33Å; R164-L171 PolarHBondContact O-N 3.07Å; L165-L171 WeakPolarHBondContact CD2-O 3.34Å; E169-L171 HydrophobicContact CB-CD1 4.26Å; E169-L171 HydrophobicContact CB-CG 4.08Å; E169-L171 PolarHBondContact O-N 3.19Å; L171-A173 PolarHBondContact O-N 3.22Å; L171-I179 HydrophobicContact CD1-CD1 3.39Å; L171-I179 HydrophobicContact CD2-CD1 4.3Å; L171-I179 HydrophobicContact CG-CD1 4.38Å
172N78.7Confident77.3Confident110 Ų11082.7 Ų82.759%0.58844%0.441SS*.  trans-60.4136.6169.7-77.2-46000109.7S174 L175N172-S174 PolarHBondContact O-N 3.35Å; N172-L175 HydrophobicContact CB-CD1 4.07Å; N172-L175 HydrophobicContact CB-CG 4.04Å; N172-L175 WeakPolarHBondContact O-CA 3.16Å; N172-L175 WeakPolarHBondContact O-CB 3.32Å; N172-L175 PolarHBondContact O-N 3.43Å
173A75.7Confident76.9Confident40 Ų4083.9 Ų83.933%0.33145%0.449SS..Hα-helixtrans-53.4-33178.800000112.5L165 L171 L175 L176L165-A173 HydrophobicContact CD2-CB 3.94Å; L171-A173 PolarHBondContact O-N 3.22Å; A173-L175 VanDerWaalsContact C-N 3.26Å; A173-L175 PolarHBondContact O-N 3.34Å; A173-L176 WeakPolarHBondContact O-CB 3.43Å; A173-L176 PolarHBondContact O-N 3.26Å
174S75.7Confident76.3Confident103 Ų10380.6 Ų80.672%0.7244%0.444SS*.Hα-helixtrans-62.4-28.3174.658.10000114N172N172-S174 PolarHBondContact O-N 3.35Å
175L79.7Confident75.8Confident88 Ų8882.6 Ų82.646%0.46146%0.459SS..Hα-helixtrans-80.8-23.2178.3-60.7176.2000112.6N172 A173 G177 G178 I179N172-L175 HydrophobicContact CB-CD1 4.07Å; N172-L175 HydrophobicContact CB-CG 4.04Å; N172-L175 WeakPolarHBondContact O-CA 3.16Å; N172-L175 WeakPolarHBondContact O-CB 3.32Å; N172-L175 PolarHBondContact O-N 3.43Å; A173-L175 VanDerWaalsContact C-N 3.26Å; A173-L175 PolarHBondContact O-N 3.34Å; L175-G177 VanDerWaalsContact C-N 3.28Å; L175-G177 PolarHBondContact O-N 2.6Å; L175-G178 WeakPolarHBondContact O-CA 3.5Å; L175-G178 PolarHBondContact O-N 2.77Å; L175-I179 PolarHBondContact O-N 3.4Å; L175-I179 VanDerWaalsContact O-N 3.07Å
176L80.8Confident75.5Confident12 Ų1284.8 Ų84.86%0.06347%0.472CS..Hα-helixtrans-57.1-43178.9-68.2174.3000111.5I161 R164 L165 A173 G178 I179 L180I161-L176 HydrophobicContact CD1-CD1 4.38Å; I161-L176 HydrophobicContact CG2-CD1 3.74Å; R164-L176 HydrophobicContact CB-CD2 3.66Å; R164-L176 HydrophobicContact CG-CD2 4.25Å; L165-L176 HydrophobicContact CD1-CD1 4.27Å; L165-L176 HydrophobicContact CD2-CD1 3.7Å; L165-L176 HydrophobicContact CD2-CG 4.32Å; L165-L176 HydrophobicContact CG-CD1 4.02Å; A173-L176 WeakPolarHBondContact O-CB 3.43Å; A173-L176 PolarHBondContact O-N 3.26Å; L176-G178 PolarHBondContact O-N 3.26Å; L176-I179 PolarHBondContact O-N 2.76Å; L176-I179 VanDerWaalsContact O-N 3.13Å; L176-L180 HydrophobicContact CB-CD1 4.5Å; L176-L180 WeakPolarHBondContact O-CB 2.96Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.28Å
177G75.8Confident75Confident36 Ų3687.4 Ų87.437%0.37148%0.483SS..Hα-helixtrans-58.9-35.817700000112.8L175 R181L175-G177 VanDerWaalsContact C-N 3.28Å; L175-G177 PolarHBondContact O-N 2.6Å; G177-R181 VanDerWaalsContact O-CB 3.26Å; G177-R181 WeakPolarHBondContact O-CB 3.12Å; G177-R181 WeakPolarHBondContact O-CD 3.23Å; G177-R181 VanDerWaalsContact O-CG 3.23Å; G177-R181 WeakPolarHBondContact O-CG 3.5Å; G177-R181 PolarHBondContact O-N 3.29Å
178G78.7Confident75.2Confident31 Ų3185.9 Ų85.932%0.3247%0.468SS..Hα-helixtrans-72-36176.400000113.2L175 L176 R182L175-G178 WeakPolarHBondContact O-CA 3.5Å; L175-G178 PolarHBondContact O-N 2.77Å; L176-G178 PolarHBondContact O-N 3.26Å; G178-R182 WeakPolarHBondContact O-CD 3.19Å; G178-R182 WeakPolarHBondContact O-CG 3.31Å; G178-R182 PolarHBondContact O-NE 3.4Å
179I75.6Confident76.1Confident74 Ų7483.4 Ų83.438%0.37945%0.445SS..Hα-helixtrans-73.2-37.7178.1-65.1164.7000110.6L171 L175 L176L171-I179 HydrophobicContact CD1-CD1 3.39Å; L171-I179 HydrophobicContact CD2-CD1 4.3Å; L171-I179 HydrophobicContact CG-CD1 4.38Å; L175-I179 PolarHBondContact O-N 3.4Å; L175-I179 VanDerWaalsContact O-N 3.07Å; L176-I179 PolarHBondContact O-N 2.76Å; L176-I179 VanDerWaalsContact O-N 3.13Å
180L76.8Confident76Confident15 Ų1581.2 Ų81.28%0.07944%0.438CS..Hα-helixtrans-82.4-14.5-176.5-64.3176.9000114.1V141 V156 I161 L176V141-L180 WeakPolarHBondContact CG1-O 3.49Å; V141-L180 HydrophobicContact CG2-CB 3.84Å; V141-L180 HydrophobicContact CG2-CD2 4.04Å; V141-L180 HydrophobicContact CG2-CG 4.47Å; V141-L180 WeakPolarHBondContact CG2-O 3.26Å; V156-L180 HydrophobicContact CB-CD2 4.49Å; V156-L180 HydrophobicContact CG1-CD1 4.46Å; V156-L180 HydrophobicContact CG1-CD2 4.07Å; V156-L180 HydrophobicContact CG2-CD2 3.64Å; I161-L180 HydrophobicContact CD1-CD1 3.86Å; L176-L180 HydrophobicContact CB-CD1 4.5Å; L176-L180 WeakPolarHBondContact O-CB 2.96Å; L176-L180 WeakPolarHBondContact O-CG 3.48Å; L176-L180 PolarHBondContact O-N 3.28Å
181R67.4Low75.7Confident213 Ų21380.5 Ų80.580%0.80443%0.425SS*.Hα-helixtrans-111.7-3.8-177.1-65.9175.668.7-170.11.9114.2G177G177-R181 VanDerWaalsContact O-CB 3.26Å; G177-R181 WeakPolarHBondContact O-CB 3.12Å; G177-R181 WeakPolarHBondContact O-CD 3.23Å; G177-R181 VanDerWaalsContact O-CG 3.23Å; G177-R181 WeakPolarHBondContact O-CG 3.5Å; G177-R181 PolarHBondContact O-N 3.29Å
182R61.3Low75.1Confident201 Ų20183.9 Ų83.976%0.75844%0.443SS*.  trans-73.10180-84.6168.7-166.5-940110.6R144 G178R144-R182 VanDerWaalsContact CB-O 3.31Å; R144-R182 WeakPolarHBondContact CB-O 3.43Å; R144-R182 WeakPolarHBondContact CD-O 3.11Å; R144-R182 WeakPolarHBondContact CD-OXT 3.12Å; R144-R182 WeakPolarHBondContact CG-O 3.09Å; R144-R182 PolarHBondContact NE-O 3.46Å; R144-R182 PolarHBondContact NE-OXT 3.46Å; R144-R182 PolarHBondContact NH2-OXT 3.37Å; G178-R182 WeakPolarHBondContact O-CD 3.19Å; G178-R182 WeakPolarHBondContact O-CG 3.31Å; G178-R182 PolarHBondContact O-NE 3.4Å

Retrieved 182 of 182 residues in 200.7 ms (Link to these results)