A0A087Y835_POEFO Loading...

La ribonucleoprotein 6, translational regulator a

AlphaFold DB , UniProt , Accession A0A087Y835, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 515 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
1M43.1Very low40.5Very low234 Ų234121.9 Ų121.9100%1.15381%0.807SS**  0760-58.5176.3115.300105.6
2S41Very low40Very low129 Ų129120.3 Ų120.390%0.90280%0.8SS**  76.9115.873.8-52.90000110.3
3G41.2Very low39.9Very low67 Ų67118.8 Ų118.869%0.69180%0.802SS**  cis-130.7175.2-2.200000112.5
4A40Very low39.5Very low101 Ų101121.4 Ų121.484%0.83580%0.797SS**  cis61.3139.431.400000112
5V39.8Very low39.2Very low141 Ų141127.8 Ų127.886%0.85580%0.798SS**  cis-167.5157.84.7103.50000106.8
6A37.5Very low38.8Very low87 Ų87124.9 Ų124.972%0.71979%0.791SS**  cis-156.7-171.9-2.800000110.5
7V45.9Very low38.6Very low131 Ų131123.9 Ų123.979%0.79479%0.788SS**  trans-85.5167.2159-143.10000109.5
8P49.7Very low38.2Very low127 Ų127125.8 Ų125.883%0.82579%0.792SS**  -141.8173.97930.8-9.9000113.3
9G34.6Very low38.2Very low56 Ų56123.3 Ų123.358%0.57778%0.784SS**  cis132.6133.4-2.100000112.8
10V37.6Very low38.9Very low138 Ų138123.2 Ų123.284%0.83678%0.784SS**  trans57.9157.2165.1-88.20000118.3
11N35.3Very low38.7Very low130 Ų130121.9 Ų121.970%0.69578%0.784SS**  cis-152.31416.4-115.8-31000108.4
12S34.3Very low38.4Very low103 Ų103119.5 Ų119.572%0.7277%0.77SS**  65.8105.893.4-54.80000118.2
13A39.1Very low38.5Very low100 Ų100118.2 Ų118.283%0.82676%0.759SS**  trans37.3130.1145.300000123.6
14E34.1Very low38Very low156 Ų156119.8 Ų119.873%0.72976%0.759SS**  -169.7168.698.9-125.1-166.1104.200114.9
15R34.6Very low37.8Very low217 Ų217122 Ų12282%0.81976%0.762SS**  trans-15.9153.5170.2-66.7176.9170.2126.7-15.6119.8
16A33.5Very low37.7Very low82 Ų82123 Ų12368%0.67876%0.763SS**  -170.6167.653.900000114.5
17S34.3Very low37.5Very low107 Ų107128.2 Ų128.275%0.74877%0.772SS**  trans34143.2146.558.80000121.3
18D33.1Very low36.9Very low159 Ų159127.6 Ų127.685%0.8577%0.768SS**  cis-160.5173.811.8-140.8-29.5000111
19A38.2Very low36.2Very low77 Ų77128.2 Ų128.264%0.63676%0.763SS**  trans-114.5-164.1165.800000108.7
20P52.1Low36.1Very low122 Ų122132.4 Ų132.479%0.79278%0.778SS**  cis-137.8-167.6-8.940.3-20.4000114.7
21A34.7Very low36.2Very low95 Ų95131.4 Ų131.479%0.78577%0.772SS**  trans113.6120.4141.300000120.1
22E35.1Very low36.1Very low184 Ų184132.5 Ų132.586%0.8678%0.777SS**  trans-85.7-164.3158.6-54.9-133.3142.900109.6
23P43.7Very low36.6Very low102 Ų102135.1 Ų135.166%0.66278%0.779SS**  cis-142.5-178.3-0.142.5-21.7000117.6
24S31.9Very low36.4Very low100 Ų100138.6 Ų138.670%0.69978%0.777SS**  trans27139.8144.5670000122.8
25V35.8Very low36.7Very low147 Ų147136 Ų13689%0.89178%0.776SS**  -153.4134.8122.5-90.80000111.6
26D36.9Very low37.3Very low163 Ų163134.5 Ų134.587%0.87278%0.779SS**  trans-78.1148.6154.5-80.4-79.2000109.6
27E34Very low38.1Very low197 Ų197139.3 Ų139.392%0.92179%0.787SS**  trans-139.1150.4154.5-157.8173.8-170.900110.2
28V32.8Very low38.3Very low118 Ų118142.9 Ų142.972%0.71579%0.794SS**  trans-139.3145.6-153.188.50000111.9
29I34.6Very low38.5Very low140 Ų140138.6 Ų138.672%0.71879%0.787SS**  trans75116.6169.3-55.4158.5000117.1
30T32.8Very low38.7Very low144 Ų144141 Ų14188%0.88380%0.795SS**  -150.7132.3120.86.70000109.5
31V40.1Very low38.3Very low116 Ų116141.5 Ų141.570%0.70380%0.795SS**  trans-92.1129.5170.7169.80000107
32D33.6Very low38.6Very low153 Ų153142.4 Ų142.482%0.81879%0.791SS**  trans-134.9129.6154-155.1-103.1000110.1
33Q44.3Very low39Very low159 Ų159140.7 Ų140.774%0.74379%0.786SS**  trans-104.9122.5170-63.3170.132.500106.1
34H35.2Very low38.6Very low173 Ų173142 Ų14280%0.80179%0.792SS**  trans-166.3123.4140.6-107.283.2000112.8
35S40.3Very low39.2Very low100 Ų100142.7 Ų142.770%0.69979%0.792SS**  trans36.4107.4139-53.90000121.6
36Q46.5Very low39.2Very low187 Ų187140 Ų14087%0.87479%0.785SS**  trans-162.393.5134.2-106.5159.619.400107.3
37E49.7Very low39.5Very low183 Ų183139.6 Ų139.686%0.85578%0.781SS**  98.2124.486-174168-173.300110.5G39E37-G39 PolarHBondContact O-N 2.99Å
38M38.3Very low39.7Very low181 Ų181138.9 Ų138.989%0.89278%0.778SS**  trans-7197.2-176.7-68.4-79.4-155.400109.8T40M38-T40 PolarHBondContact O-N 2.77Å
39G38.8Very low40Very low69 Ų69137.7 Ų137.771%0.71178%0.781SS**  trans-60.7102.417100000111.1E37 V41E37-G39 PolarHBondContact O-N 2.99Å; G39-V41 PolarHBondContact O-N 3.16Å
40T41.6Very low40.4Very low129 Ų129135.5 Ų135.579%0.79178%0.783SS**  trans-63.5104.1174.56.70000109.6M38 T42M38-T40 PolarHBondContact O-N 2.77Å; T40-T42 PolarHBondContact O-N 2.97Å
41V43.5Very low40.6Very low131 Ų131138 Ų13879%0.79479%0.785SS**  trans-68.397172.2-178.90000108.6G39 I43G39-V41 PolarHBondContact O-N 3.16Å; V41-I43 PolarHBondContact O-N 3.02Å
42T40.3Very low40.4Very low115 Ų115139.8 Ų139.871%0.70679%0.791SS**  trans-76.5106.7173.339.80000109.6T40 T44T40-T42 PolarHBondContact O-N 2.97Å; T42-T44 PolarHBondContact O-N 3.16Å; T42-T44 VanDerWaalsContact O-N 3.07Å
43I43.9Very low41Very low147 Ų147141.6 Ų141.675%0.75479%0.794SS**  trans-77.392.4173.2-56.9174.9000108.3V41 V45V41-I43 PolarHBondContact O-N 3.02Å; I43-V45 HydrophobicContact CG2-CG2 4.12Å; I43-V45 PolarHBondContact O-N 3.46Å
44T36.8Very low40.7Very low130 Ų130142.2 Ų142.280%0.79880%0.797SS**  trans-78.998168.633.40000110T42 A46T42-T44 PolarHBondContact O-N 3.16Å; T42-T44 VanDerWaalsContact O-N 3.07Å; T44-A46 PolarHBondContact O-N 3.15Å; T44-A46 VanDerWaalsContact O-N 3.16Å
45V43.5Very low41Very low115 Ų115139.8 Ų139.870%0.69780%0.797SS**  trans-71.4106.2171.3-177.40000108.8I43 I47I43-V45 HydrophobicContact CG2-CG2 4.12Å; I43-V45 PolarHBondContact O-N 3.46Å; V45-I47 HydrophobicContact CG1-CG1 4.17Å; V45-I47 PolarHBondContact O-N 3.03Å
46A35.3Very low40.6Very low90 Ų90143.7 Ų143.774%0.74480%0.804SS**  trans-75101168.900000109.3T44 Q48T44-A46 PolarHBondContact O-N 3.15Å; T44-A46 VanDerWaalsContact O-N 3.16Å; A46-Q48 PolarHBondContact O-N 3.31Å; A46-Q48 VanDerWaalsContact O-N 3.17Å
47I42.7Very low40Very low154 Ų154143.8 Ų143.879%0.7980%0.804SS**  trans-78.895.5170.7-54.5173.9000107.4V45V45-I47 HydrophobicContact CG1-CG1 4.17Å; V45-I47 PolarHBondContact O-N 3.03Å
48Q40.1Very low39.1Very low182 Ų182143.3 Ų143.385%0.8580%0.802SS**  trans-78.1117162.5-79178.2-23.100108A46 A50A46-Q48 PolarHBondContact O-N 3.31Å; A46-Q48 VanDerWaalsContact O-N 3.17Å; Q48-A50 PolarHBondContact O-N 3.41Å
49A38.4Very low38.8Very low94 Ų94145.9 Ų145.978%0.77780%0.802SS**  trans-67.5113.5168.700000108.1
50A42.9Very low38.8Very low93 Ų93148.7 Ų148.777%0.76981%0.808SS**  trans-83.1131.2161.500000107.6Q48Q48-A50 PolarHBondContact O-N 3.41Å
51E36.7Very low38.2Very low197 Ų197146.2 Ų146.292%0.92181%0.808SS**  trans-72.3126.1172.5-65.3166.213500108
52D36.5Very low37.6Very low154 Ų154147.5 Ų147.582%0.82481%0.81SS**  trans-114.3102.8-176.4-154.611.9000107.5
53E45.7Very low37.1Very low191 Ų191148.2 Ų148.289%0.89381%0.814SS**  trans-90.299.8173.7-73.2-152.615000109.9
54E38.9Very low36.4Very low171 Ų171149.2 Ų149.280%0.79982%0.816SS**PPolyproline II helixtrans-84.3140.2160.6-72.7-149.2131.800110.9
55P40.4Very low35.9Very low122 Ų122147.7 Ų147.779%0.79281%0.81SS**PPolyproline II helixtrans-77.9143.1176.531.9-34.4000112.4
56E32.9Very low35.3Very low182 Ų182149.1 Ų149.185%0.8581%0.813SS**PPolyproline II helixtrans-70.4139.2-172.9-59-159.7135.300115.1
57E33.7Very low35.1Very low189 Ų189156.2 Ų156.288%0.88382%0.82SS**  trans-93.5112.3155.5-81.2-160150.100110.2
58E30.1Very low34.5Very low174 Ų174152.4 Ų152.481%0.81382%0.818SS**  trans-75.1127.3171.5-69.1-170.9150.300112.3
59R32.8Very low34.4Very low234 Ų234148.8 Ų148.888%0.88381%0.813SS**  trans-140.4119158.7-81.3-169.3173.7-159.1-0111.2
60P38.4Very low33.9Very low128 Ų128150.1 Ų150.183%0.83182%0.815SS**  trans-92.5139.3171.333.4-31.1000113.1
61G28.8Very low33.5Very low78 Ų78150.2 Ų150.280%0.80481%0.811SS**  72.4101.7114.300000119
62N30.4Very low33.3Very low157 Ų157149.5 Ų149.584%0.8481%0.807SS**  trans-83.1129.8172.4174.434000112.8
63V30.1Very low33.2Very low130 Ų130149.2 Ų149.279%0.78881%0.806SS**  trans-161.1119.6150-105.40000114.5
64E29.4Very low32.8Very low168 Ų168147.7 Ų147.779%0.78580%0.799SS**  73.7129.8125.9-155.9132.8-134.100124
65C25.8Very low32.7Very low99 Ų99147.1 Ų147.167%0.66980%0.8SS**  trans87.9113.8144.7-970000123.8
66L30.5Very low32.3Very low145 Ų145144.9 Ų144.976%0.75980%0.799SS**  trans84.6118.8132.6-76.6157.6000122.4
67R32.3Very low32.8Very low239 Ų239147.8 Ų147.890%0.90280%0.802SS**  trans86117.4131-174.9179.9-75.4-156.1-3.7119.6
68G30.2Very low33.1Very low73 Ų73146.9 Ų146.975%0.75380%0.798SS**  trans123.2121.9163.200000113.2
69S36.9Very low33.4Very low107 Ų107145.7 Ų145.775%0.74880%0.797SS**  cis145.6128.4-15.5-178.80000107
70C28.2Very low34Very low121 Ų121143.4 Ų143.482%0.81879%0.794SS**  trans67.1145.8173.2-49.90000116.2
71S34.3Very low34.2Very low96 Ų96141.9 Ų141.967%0.67179%0.786SS**  cis-165.3148.7-17.447.70000106.6
72E33.3Very low34.8Very low181 Ų181149.9 Ų149.985%0.84679%0.792SS**  35.2136.2103-52.9-179.7108.100114.6
73D34.1Very low35.3Very low149 Ų149151 Ų15180%0.79779%0.792SS**  cis-152.5151.314.946-88.4000109.7
74E36.6Very low35.6Very low159 Ų159151 Ų15174%0.74380%0.797SS**  74.3127.271.4-129.1-160.4108.800118.5
75L36.6Very low35.9Very low159 Ų159146.8 Ų146.883%0.83280%0.799SS**  trans77.3137.9160.9-55.3-179.2000122.3
76G33Very low36.5Very low75 Ų75146.9 Ų146.977%0.77381%0.807SS**  trans-176.641.7174.800000115.9H78G76-H78 PolarHBondContact O-N 2.94Å
77R43.5Very low37.1Very low242 Ų242143.4 Ų143.491%0.91381%0.806SS**  trans-67.6125.6170.7-86.4-177.3177.6-103.90.5110.4
78H39.9Very low37.4Very low171 Ų171138.7 Ų138.779%0.79280%0.804SS**  trans-140.5113155.7-92.8-63.4000113.3G76G76-H78 PolarHBondContact O-N 2.94Å
79D36.5Very low38Very low149 Ų149141.1 Ų141.180%0.79781%0.81SS**  trans-98.6127.3157.5-179.4-65.6000107.8
80K45.5Very low38.1Very low185 Ų185139 Ų13980%0.80480%0.804SS**  trans-148.8109.9159.3-75.8-169.5179.9162.30110.5
81S42.4Very low39.1Very low96 Ų96137.2 Ų137.267%0.67181%0.806SS**  trans-68.2138.6162.6173.60000111.9
82R41.8Very low39.4Very low246 Ų246140.6 Ų140.693%0.92881%0.812SS**  trans-143.5128140.9-78.8-157.6172.6-163.2-2.4110.9
83H41Very low40.2Very low181 Ų181138.2 Ų138.284%0.83880%0.804SS**  trans-89.8137.8161.6-9350000109.8
84S36.6Very low40.8Very low129 Ų129140.4 Ų140.490%0.90281%0.809SS**  trans173.3131148.8-88.60000105.9
85G35.5Very low41.5Very low80 Ų80139.6 Ų139.683%0.82581%0.806SS**  cis131.873.612.100000109.6
86A38.6Very low42.3Very low102 Ų102139 Ų13984%0.84380%0.799SS**  trans-159.7126.5169.500000109.2
87G42Very low43.5Very low71 Ų71140.9 Ų140.973%0.73280%0.8SS**  trans-99.2144159.700000109
88T39.8Very low44.7Very low140 Ų140133.8 Ų133.886%0.85977%0.773SS**  trans177.8139.4147.122.30000110
89S42.5Very low46.2Very low125 Ų125133.4 Ų133.487%0.87477%0.772SS**  trans61.3142.8150.5-156.20000121
90G38.5Very low48Very low61 Ų61130.1 Ų130.163%0.62976%0.759SS**  trans83.6118.7166.400000113.9
91G48.6Very low49.5Very low84 Ų84122.4 Ų122.487%0.86673%0.728SS**  cis109.1-0.73.200000114.6
92E42.1Very low51.6Low168 Ų168123.9 Ų123.979%0.78573%0.728SS**  trans-158.1146.6179.147.4-138109.500113.2
93L50.1Low53.8Low130 Ų130116.9 Ų116.968%0.68171%0.713SS**  trans49.392.7168.5-89.373.2000119.7E96L93-E96 HydrophobicContact CD2-CG 4.19Å; L93-E96 VanDerWaalsContact CD2-OE2 3.23Å; L93-E96 WeakPolarHBondContact CD2-OE2 3.3Å; L93-E96 WeakPolarHBondContact CG-OE2 3.49Å
94E45.9Very low56.1Low195 Ų195114.2 Ų114.291%0.91170%0.7SS**  trans-120.553.5141.8-76.7-165.7162.300110.1
95E51.7Low58.6Low142 Ų142110 Ų11066%0.66467%0.667SS**  trans-105.2-18.1168.7-62-152.2108.300113.1S97E95-S97 PolarHBondContact O-N 3.23Å; E95-S97 VanDerWaalsContact O-N 3.16Å
96E53.2Low61.3Low148 Ų148106.9 Ų106.969%0.69263%0.632SS**THydrogen-bonded Turntrans-82.915.3-165.9-9555.4-142.600117.3L93L93-E96 HydrophobicContact CD2-CG 4.19Å; L93-E96 VanDerWaalsContact CD2-OE2 3.23Å; L93-E96 WeakPolarHBondContact CD2-OE2 3.3Å; L93-E96 WeakPolarHBondContact CG-OE2 3.49Å
97S57.3Low63.9Low114 Ų114108.1 Ų108.180%0.79762%0.62SS**THydrogen-bonded Turntrans-129.812.7177.4-172.60000114.6E95 Q99E95-S97 PolarHBondContact O-N 3.23Å; E95-S97 VanDerWaalsContact O-N 3.16Å; S97-Q99 PolarHBondContact O-N 3.33Å
98W68.8Low66.3Low92 Ų92109.8 Ų109.835%0.34861%0.607SS.*  trans-88.297.9168.1-172.477.3000109.9P100 T160 Y163W98-P100 HydrophobicContact CH2-CB 4.22Å; W98-P100 HydrophobicContact CZ3-CB 4.4Å; W98-T160 PolarHBondContact NE1-OG1 3.22Å; W98-Y163 AromaticContact CH2-CD1 3.86Å; W98-Y163 HydrophobicContact CH2-CD1 3.86Å; W98-Y163 AromaticContact CH2-CD2 3.46Å; W98-Y163 HydrophobicContact CH2-CD2 3.46Å; W98-Y163 VanDerWaalsContact CH2-CD2 3.46Å; W98-Y163 HydrophobicContact CH2-CE1 4.38Å; W98-Y163 HydrophobicContact CH2-CE2 4.04Å; W98-Y163 AromaticContact CH2-CG 3.35Å; W98-Y163 HydrophobicContact CH2-CG 3.35Å; W98-Y163 HydrophobicContact CZ2-CD1 4.4Å; W98-Y163 HydrophobicContact CZ2-CD2 4.41Å; W98-Y163 AromaticContact CZ2-CG 3.94Å; W98-Y163 HydrophobicContact CZ2-CG 3.94Å; W98-Y163 HydrophobicContact CZ3-CD2 4.02Å; W98-Y163 HydrophobicContact CZ3-CE2 4.38Å; W98-Y163 HydrophobicContact CZ3-CG 4.35Å
99Q72.9Confident68.9Low164 Ų164103.1 Ų103.177%0.76657%0.566SS**PPolyproline II helixtrans-81.4143.9169.9-64.6-141.7-8.800110.8S97S97-Q99 PolarHBondContact O-N 3.33Å
100P72.4Confident71.3Confident80 Ų8097.9 Ų97.952%0.51953%0.529SS..PPolyproline II helixtrans-61.8130.9172.926.6-33.1000109.6W98 Y163W98-P100 HydrophobicContact CH2-CB 4.22Å; W98-P100 HydrophobicContact CZ3-CB 4.4Å; P100-Y163 HydrophobicContact CB-CE1 4.29Å
101P78.7Confident73.9Confident23 Ų2397.8 Ų97.815%0.14952%0.523CS..PPolyproline II helixtrans-68.9160-178.530.3-38.8000112.4T103 L105 I106 T160 Y163P101-T103 PolarHBondContact O-N 3.35Å; P101-L105 HydrophobicContact CB-CD2 4.06Å; P101-I106 HydrophobicContact CB-CG1 4.49Å; P101-I106 HydrophobicContact CG-CD1 4.01Å; P101-I106 HydrophobicContact CG-CG1 3.68Å; P101-T160 HydrophobicContact CB-CG2 3.62Å; P101-T160 HydrophobicContact CG-CG2 3.52Å; P101-Y163 HydrophobicContact CG-CD1 4.41Å
102D85.6Confident76.1Confident126 Ų12695.3 Ų95.367%0.67449%0.489SS*.PPolyproline II helixtrans-51.4138.6173.8-58.6-41.6000112.4E104 L105 I106D102-E104 PolarHBondContact O-N 3.35Å; D102-L105 HydrophobicContact CB-CB 4.38Å; D102-L105 WeakPolarHBondContact O-CA 3.32Å; D102-L105 WeakPolarHBondContact O-CB 3.42Å; D102-L105 PolarHBondContact O-N 3.09Å; D102-I106 PolarHBondContact O-N 3.42Å
103T87.3Confident78.5Confident100 Ų10087.3 Ų87.361%0.61345%0.451SS*.Hα-helixtrans-56.9-34.6-178.4-480000112.6P101 I106 Q107P101-T103 PolarHBondContact O-N 3.35Å; T103-I106 WeakPolarHBondContact O-CB 3.48Å; T103-I106 PolarHBondContact O-N 3.1Å; T103-Q107 WeakPolarHBondContact O-CG 3.49Å; T103-Q107 PolarHBondContact O-N 3.41Å
104E89.9Confident80.5Confident124 Ų12483.2 Ų83.258%0.57943%0.428SS*.Hα-helixtrans-63.8-40.9173.4-68-169.1-157.700113D102 I106 Q107 K108D102-E104 PolarHBondContact O-N 3.35Å; E104-I106 VanDerWaalsContact C-N 3.33Å; E104-Q107 PolarHBondContact O-N 3.19Å; E104-K108 WeakPolarHBondContact O-CB 3.45Å; E104-K108 WeakPolarHBondContact O-CD 3.1Å; E104-K108 VanDerWaalsContact O-CG 3.23Å; E104-K108 WeakPolarHBondContact O-CG 3.38Å; E104-K108 PolarHBondContact O-N 3.11Å; E104-K108 IonicContact OE2-NZ 2.84Å; E104-K108 PolarHBondContact OE2-NZ 3.02Å
105L89.7Confident82.7Confident40 Ų4078.4 Ų78.421%0.20941%0.405CS..Hα-helixtrans-67.6-39.1178.7-173.663.3000110.1P101 D102 K108 L109 L154 T155P101-L105 HydrophobicContact CB-CD2 4.06Å; D102-L105 HydrophobicContact CB-CB 4.38Å; D102-L105 WeakPolarHBondContact O-CA 3.32Å; D102-L105 WeakPolarHBondContact O-CB 3.42Å; D102-L105 PolarHBondContact O-N 3.09Å; L105-K108 PolarHBondContact O-N 2.66Å; L105-L109 HydrophobicContact CG-CD1 4.18Å; L105-L109 WeakPolarHBondContact O-CB 3.35Å; L105-L109 WeakPolarHBondContact O-CD1 3.45Å; L105-L109 WeakPolarHBondContact O-CG 3.4Å; L105-L109 PolarHBondContact O-N 3.16Å; L105-L154 HydrophobicContact CD1-CB 3.97Å; L105-L154 HydrophobicContact CD1-CD2 4.22Å; L105-T155 HydrophobicContact CD1-CG2 4.35Å; L105-T155 HydrophobicContact CD2-CG2 3.77Å; L105-T155 HydrophobicContact CG-CG2 4.19Å
106I91.4Very high84.6Confident16 Ų1672.9 Ų72.98%0.08238%0.378CS..Hα-helixtrans-56.3-51.8171.5-67.7173.6000110.5P101 D102 T103 E104 K108 L109 V110 Y163 A164 H167P101-I106 HydrophobicContact CB-CG1 4.49Å; P101-I106 HydrophobicContact CG-CD1 4.01Å; P101-I106 HydrophobicContact CG-CG1 3.68Å; D102-I106 PolarHBondContact O-N 3.42Å; T103-I106 WeakPolarHBondContact O-CB 3.48Å; T103-I106 PolarHBondContact O-N 3.1Å; E104-I106 VanDerWaalsContact C-N 3.33Å; I106-K108 PolarHBondContact O-N 2.97Å; I106-L109 PolarHBondContact O-N 2.95Å; I106-V110 HydrophobicContact CG2-CG2 4.35Å; I106-V110 WeakPolarHBondContact O-CG2 3.35Å; I106-V110 PolarHBondContact O-N 2.85Å; I106-Y163 HydrophobicContact CD1-CD1 4.01Å; I106-Y163 HydrophobicContact CD1-CE1 3.79Å; I106-A164 HydrophobicContact CB-CB 4.24Å; I106-A164 HydrophobicContact CG1-CB 4.2Å; I106-A164 HydrophobicContact CG2-CB 3.95Å; I106-H167 HydrophobicContact CG2-CB 4.44Å
107Q92.8Very high86.3Confident128 Ų12866.1 Ų66.160%0.59835%0.347SS*.Hα-helixtrans-61.2-45.7-179.9-71.3173.61.400112T103 E104 L109 V110 A111T103-Q107 WeakPolarHBondContact O-CG 3.49Å; T103-Q107 PolarHBondContact O-N 3.41Å; E104-Q107 PolarHBondContact O-N 3.19Å; Q107-L109 VanDerWaalsContact C-N 3.33Å; Q107-L109 PolarHBondContact O-N 2.99Å; Q107-V110 PolarHBondContact O-N 3.26Å; Q107-A111 WeakPolarHBondContact O-CB 3.37Å; Q107-A111 PolarHBondContact O-N 3.48Å
108K93.7Very high87.8Confident105 Ų10562.1 Ų62.146%0.45732%0.318SS..Hα-helixtrans-60.3-40176.5-70.1161.4-170.9161.90111.8E104 L105 I106 Q112 L154E104-K108 WeakPolarHBondContact O-CB 3.45Å; E104-K108 WeakPolarHBondContact O-CD 3.1Å; E104-K108 VanDerWaalsContact O-CG 3.23Å; E104-K108 WeakPolarHBondContact O-CG 3.38Å; E104-K108 PolarHBondContact O-N 3.11Å; E104-K108 IonicContact OE2-NZ 2.84Å; E104-K108 PolarHBondContact OE2-NZ 3.02Å; L105-K108 PolarHBondContact O-N 2.66Å; I106-K108 PolarHBondContact O-N 2.97Å; K108-Q112 VanDerWaalsContact O-CB 3.24Å; K108-Q112 WeakPolarHBondContact O-CB 3.31Å; K108-Q112 PolarHBondContact O-N 2.93Å; K108-Q112 VanDerWaalsContact O-N 3.17Å; K108-L154 HydrophobicContact CB-CD1 4.07Å; K108-L154 HydrophobicContact CB-CD2 4.34Å
109L93.3Very high88.6Confident0 Ų060.8 Ų60.80%032%0.318CS..Hα-helixtrans-68.2-45.9175.5-73.1167.2000112.6L105 I106 Q107 Q112 I113 V151 L154 T155 A164L105-L109 HydrophobicContact CG-CD1 4.18Å; L105-L109 WeakPolarHBondContact O-CB 3.35Å; L105-L109 WeakPolarHBondContact O-CD1 3.45Å; L105-L109 WeakPolarHBondContact O-CG 3.4Å; L105-L109 PolarHBondContact O-N 3.16Å; I106-L109 PolarHBondContact O-N 2.95Å; Q107-L109 VanDerWaalsContact C-N 3.33Å; Q107-L109 PolarHBondContact O-N 2.99Å; L109-Q112 PolarHBondContact O-N 3.04Å; L109-I113 VanDerWaalsContact O-CG1 3.32Å; L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 2.79Å; L109-V151 HydrophobicContact CD2-CG1 3.83Å; L109-L154 HydrophobicContact CD2-CB 3.81Å; L109-L154 HydrophobicContact CD2-CD1 3.96Å; L109-L154 HydrophobicContact CG-CB 4.42Å; L109-L154 HydrophobicContact CG-CD1 4.29Å; L109-T155 HydrophobicContact CD1-CG2 3.87Å; L109-T155 HydrophobicContact CD2-CG2 4.36Å; L109-A164 HydrophobicContact CB-CB 4.02Å; L109-A164 HydrophobicContact CD1-CB 4Å
110V93.3Very high89.2Confident16 Ų1659.7 Ų59.710%0.09731%0.313CS..Hα-helixtrans-61.6-54.6179.1169.60000110I106 Q107 Q112 I113 E114 A164I106-V110 HydrophobicContact CG2-CG2 4.35Å; I106-V110 WeakPolarHBondContact O-CG2 3.35Å; I106-V110 PolarHBondContact O-N 2.85Å; Q107-V110 PolarHBondContact O-N 3.26Å; V110-Q112 VanDerWaalsContact C-N 3.26Å; V110-Q112 PolarHBondContact O-N 3.38Å; V110-I113 PolarHBondContact O-N 3.44Å; V110-I113 VanDerWaalsContact O-N 3.09Å; V110-E114 HydrophobicContact CG1-CG 4.12Å; V110-E114 WeakPolarHBondContact CG1-OE2 3.35Å; V110-E114 WeakPolarHBondContact O-CB 3.09Å; V110-E114 WeakPolarHBondContact O-CG 3.42Å; V110-E114 PolarHBondContact O-N 2.84Å; V110-A164 HydrophobicContact CG2-CB 4.28Å; V110-A164 WeakPolarHBondContact CG2-O 3.39Å
111A93.6Very high89.9Confident59 Ų5957.1 Ų57.149%0.48830%0.295SS..Hα-helixtrans-56.3-40.8179.300000112Q107 F115Q107-A111 WeakPolarHBondContact O-CB 3.37Å; Q107-A111 PolarHBondContact O-N 3.48Å; A111-F115 VanDerWaalsContact O-CB 3.29Å; A111-F115 WeakPolarHBondContact O-CB 3.38Å; A111-F115 PolarHBondContact O-N 2.89Å
112Q93.9Very high90.2Very high32 Ų3256 Ų5615%0.1529%0.288CS..Hα-helixtrans-71-31.3179.9-171.752.778.100113.5K108 L109 V110 Y116 K150 V151K108-Q112 VanDerWaalsContact O-CB 3.24Å; K108-Q112 WeakPolarHBondContact O-CB 3.31Å; K108-Q112 PolarHBondContact O-N 2.93Å; K108-Q112 VanDerWaalsContact O-N 3.17Å; L109-Q112 PolarHBondContact O-N 3.04Å; V110-Q112 VanDerWaalsContact C-N 3.26Å; V110-Q112 PolarHBondContact O-N 3.38Å; Q112-Y116 HydrophobicContact CG-CD2 4.2Å; Q112-Y116 HydrophobicContact CG-CE2 3.81Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.31Å; Q112-Y116 PolarHBondContact O-N 3.04Å; Q112-Y116 VanDerWaalsContact O-N 3.13Å; Q112-K150 VanDerWaalsContact CD-CD 3.49Å; Q112-K150 HydrophobicContact CG-CB 3.78Å; Q112-K150 HydrophobicContact CG-CD 4.46Å; Q112-V151 HydrophobicContact CG-CG2 4.06Å
113I92.9Very high90.1Very high0 Ų054.8 Ų54.80%028%0.278CS..Hα-helixtrans-84.9-35.3178.3-64.2168.2000111.3L109 V110 F115 Y116 L117 L145 V151 T161 L165 L171L109-I113 VanDerWaalsContact O-CG1 3.32Å; L109-I113 WeakPolarHBondContact O-CG1 3.38Å; L109-I113 PolarHBondContact O-N 2.79Å; V110-I113 PolarHBondContact O-N 3.44Å; V110-I113 VanDerWaalsContact O-N 3.09Å; I113-F115 VanDerWaalsContact C-N 3.31Å; I113-Y116 PolarHBondContact O-N 2.92Å; I113-L117 HydrophobicContact CG2-CD1 4.11Å; I113-L117 PolarHBondContact O-N 3.16Å; I113-L145 HydrophobicContact CG2-CD1 3.86Å; I113-V151 HydrophobicContact CD1-CG2 4.26Å; I113-V151 HydrophobicContact CG1-CG2 3.8Å; I113-T161 HydrophobicContact CD1-CG2 3.36Å; I113-L165 HydrophobicContact CB-CD2 4.03Å; I113-L165 HydrophobicContact CD1-CD1 4.16Å; I113-L165 HydrophobicContact CD1-CD2 4Å; I113-L165 HydrophobicContact CD1-CG 4.2Å; I113-L165 HydrophobicContact CG2-CD2 3.76Å; I113-L171 HydrophobicContact CG2-CD1 3.85Å
114E92.7Very high89.7Confident43 Ų4357.4 Ų57.420%0.20128%0.283CS..Hα-helixtrans-60.8-40.9168.3-72.7-176.9152.700110.5V110 L117 S118 S168 K169 I170 L171V110-E114 HydrophobicContact CG1-CG 4.12Å; V110-E114 WeakPolarHBondContact CG1-OE2 3.35Å; V110-E114 WeakPolarHBondContact O-CB 3.09Å; V110-E114 WeakPolarHBondContact O-CG 3.42Å; V110-E114 PolarHBondContact O-N 2.84Å; E114-L117 CarbonylContact O-C 3.56Å; E114-L117 PolarHBondContact O-N 3.16Å; E114-S118 PolarHBondContact O-N 2.71Å; E114-S168 WeakPolarHBondContact OE1-CB 3.26Å; E114-K169 PolarHBondContact OE1-N 3.41Å; E114-I170 HydrophobicContact CB-CD1 4.47Å; E114-I170 HydrophobicContact CG-CB 4.34Å; E114-I170 HydrophobicContact CG-CD1 4.32Å; E114-I170 WeakPolarHBondContact OE1-CB 3.26Å; E114-I170 PolarHBondContact OE1-N 3.34Å; E114-L171 HydrophobicContact CG-CD1 3.86Å; E114-L171 HydrophobicContact CG-CG 4.08Å
115F92.5Very high89.5Confident94 Ų9453.5 Ų53.541%0.41227%0.266SS..Hα-helixtrans-60.5-45.9169.8178.3-89.3000112.6A111 I113 L117 S118 N121A111-F115 VanDerWaalsContact O-CB 3.29Å; A111-F115 WeakPolarHBondContact O-CB 3.38Å; A111-F115 PolarHBondContact O-N 2.89Å; I113-F115 VanDerWaalsContact C-N 3.31Å; F115-L117 PolarHBondContact O-N 3.17Å; F115-S118 VanDerWaalsContact O-CB 3.27Å; F115-S118 WeakPolarHBondContact O-CB 3.45Å; F115-S118 PolarHBondContact O-N 3.5Å; F115-S118 VanDerWaalsContact O-N 3.12Å; F115-S118 PolarHBondContact O-OG 2.88Å; F115-N121 HydrophobicContact CE1-CB 4.37Å; F115-N121 VanDerWaalsContact O-CB 3.26Å; F115-N121 WeakPolarHBondContact O-CB 3.3Å
116Y90.7Very high89.2Confident27 Ų2753.3 Ų53.311%0.10627%0.27CS..Hα-helixtrans-65.8-28179.7-77.9-48.1000113.5Q112 I113 N121 L128 F148 K150 V151Q112-Y116 HydrophobicContact CG-CD2 4.2Å; Q112-Y116 HydrophobicContact CG-CE2 3.81Å; Q112-Y116 WeakPolarHBondContact O-CD2 3.31Å; Q112-Y116 PolarHBondContact O-N 3.04Å; Q112-Y116 VanDerWaalsContact O-N 3.13Å; I113-Y116 PolarHBondContact O-N 2.92Å; Y116-N121 PolarHBondContact O-ND2 3.31Å; Y116-L128 VanDerWaalsContact O-CD1 3.3Å; Y116-L128 WeakPolarHBondContact O-CD1 3.43Å; Y116-F148 AromaticContact CD2-CD2 3.81Å; Y116-F148 HydrophobicContact CD2-CD2 3.81Å; Y116-F148 HydrophobicContact CD2-CE2 4.49Å; Y116-F148 HydrophobicContact CE2-CB 4.02Å; Y116-F148 AromaticContact CE2-CD2 3.88Å; Y116-F148 HydrophobicContact CE2-CD2 3.88Å; Y116-F148 HydrophobicContact CE2-CG 4.45Å; Y116-F148 HydrophobicContact CG-CD2 4.18Å; Y116-F148 HydrophobicContact CG-CE2 4.49Å; Y116-K150 HydrophobicContact CE2-CB 4.38Å; Y116-K150 WeakPolarHBondContact OH-CB 3.36Å; Y116-K150 WeakPolarHBondContact OH-CG 3.25Å; Y116-V151 HydrophobicContact CD2-CG2 4.36Å; Y116-V151 HydrophobicContact CE2-CG2 4.05Å
117L88.8Confident89Confident6 Ų657.4 Ų57.43%0.03129%0.288CS..THydrogen-bonded Turntrans-98.510.7176-64.4172.6000112.5I113 E114 F115 L122 L171 V180 R182I113-L117 HydrophobicContact CG2-CD1 4.11Å; I113-L117 PolarHBondContact O-N 3.16Å; E114-L117 CarbonylContact O-C 3.56Å; E114-L117 PolarHBondContact O-N 3.16Å; F115-L117 PolarHBondContact O-N 3.17Å; L117-L122 WeakPolarHBondContact O-CD1 3.41Å; L117-L171 HydrophobicContact CB-CD2 4.08Å; L117-L171 HydrophobicContact CD1-CD1 3.93Å; L117-L171 HydrophobicContact CD1-CD2 3.65Å; L117-L171 HydrophobicContact CD1-CG 4.43Å; L117-V180 HydrophobicContact CD1-CG1 4.28Å; L117-R182 HydrophobicContact CB-CG 4.18Å; L117-R182 WeakPolarHBondContact O-CD 3.38Å; L117-R182 VanDerWaalsContact O-CZ 3.3Å; L117-R182 PolarHBondContact O-NE 3.13Å; L117-R182 PolarHBondContact O-NH1 3.45Å
118S88.3Confident88.7Confident29 Ų2951.3 Ų51.320%0.20326%0.259CS..SBendtrans-65.8165.6173.181.20000111E114 F115 N121 L122E114-S118 PolarHBondContact O-N 2.71Å; F115-S118 VanDerWaalsContact O-CB 3.27Å; F115-S118 WeakPolarHBondContact O-CB 3.45Å; F115-S118 PolarHBondContact O-N 3.5Å; F115-S118 VanDerWaalsContact O-N 3.12Å; F115-S118 PolarHBondContact O-OG 2.88Å; S118-N121 WeakPolarHBondContact OG-CB 3.33Å; S118-N121 PolarHBondContact OG-N 2.89Å; S118-N121 VanDerWaalsContact OG-N 3.14Å; S118-L122 VanDerWaalsContact O-CB 3.3Å; S118-L122 WeakPolarHBondContact O-CB 3.28Å; S118-L122 VanDerWaalsContact O-CG 3.32Å; S118-L122 WeakPolarHBondContact O-CG 3.49Å; S118-L122 PolarHBondContact O-N 3.47Å
119D85.8Confident88.3Confident64 Ų6446.3 Ų46.334%0.34224%0.237SC..Hα-helixtrans-68.8-46.8179.6-66.8-50.7000112.1N121 L122 E123 R182 P187 F189D119-N121 PolarHBondContact O-N 3.05Å; D119-L122 PolarHBondContact O-N 3.19Å; D119-E123 PolarHBondContact O-N 3.32Å; D119-R182 IonicContact OD1-CZ 2.73Å; D119-R182 IonicContact OD1-NH1 3.19Å; D119-R182 PolarHBondContact OD1-NH1 3.25Å; D119-R182 IonicContact OD1-NH2 3.8Å; D119-R182 PolarHBondContact OD1-NH2 3.09Å; D119-R182 IonicContact OD2-CZ 3.57Å; D119-R182 IonicContact OD2-NH1 2.69Å; D119-R182 IonicContact OD2-NH2 3.65Å; D119-R182 PolarHBondContact OD2-NH2 3.37Å; D119-P187 HydrophobicContact CB-CG 4.46Å; D119-P187 WeakPolarHBondContact OD1-CD 3.26Å; D119-P187 WeakPolarHBondContact OD1-CG 2.92Å; D119-F189 HydrophobicContact CB-CE1 4.23Å; D119-F189 HydrophobicContact CB-CZ 3.97Å; D119-F189 VanDerWaalsContact O-CE1 3.26Å; D119-F189 WeakPolarHBondContact O-CE1 3.2Å; D119-F189 WeakPolarHBondContact O-CZ 3.29Å
120E86.1Confident87.9Confident141 Ų14151 Ų5166%0.65926%0.257SS*.Hα-helixtrans-54.3-47.9174.4-61.4166.2-166.700112.3E123 H124E120-E123 PolarHBondContact O-N 2.96Å; E120-H124 PolarHBondContact O-CD2 2.86Å; E120-H124 PolarHBondContact O-N 3.44Å
121N87.8Confident87.6Confident27 Ų2752.8 Ų52.814%0.14427%0.265CS..Hα-helixtrans-73.7-31.6-178.6-171.886000112.1F115 Y116 S118 D119 D125F115-N121 HydrophobicContact CE1-CB 4.37Å; F115-N121 VanDerWaalsContact O-CB 3.26Å; F115-N121 WeakPolarHBondContact O-CB 3.3Å; Y116-N121 PolarHBondContact O-ND2 3.31Å; S118-N121 WeakPolarHBondContact OG-CB 3.33Å; S118-N121 PolarHBondContact OG-N 2.89Å; S118-N121 VanDerWaalsContact OG-N 3.14Å; D119-N121 PolarHBondContact O-N 3.05Å; N121-D125 WeakPolarHBondContact O-CA 3.46Å; N121-D125 WeakPolarHBondContact O-CB 3.3Å; N121-D125 PolarHBondContact O-N 3.46Å
122L85Confident87.2Confident0 Ų050.5 Ų50.50%025%0.245CC..Hα-helixtrans-75.1-24176.2-78.1169.9000113.5L117 S118 D119 L128 V132 V186 F189L117-L122 WeakPolarHBondContact O-CD1 3.41Å; S118-L122 VanDerWaalsContact O-CB 3.3Å; S118-L122 WeakPolarHBondContact O-CB 3.28Å; S118-L122 VanDerWaalsContact O-CG 3.32Å; S118-L122 WeakPolarHBondContact O-CG 3.49Å; S118-L122 PolarHBondContact O-N 3.47Å; D119-L122 PolarHBondContact O-N 3.19Å; L122-L128 HydrophobicContact CD2-CB 3.8Å; L122-V132 HydrophobicContact CD2-CG2 4.22Å; L122-V186 HydrophobicContact CD1-CG1 4.44Å; L122-F189 HydrophobicContact CB-CD2 4.3Å; L122-F189 HydrophobicContact CB-CE2 3.62Å; L122-F189 HydrophobicContact CB-CZ 3.92Å; L122-F189 HydrophobicContact CD1-CE2 4.44Å
123E81.7Confident86.7Confident99 Ų9953.5 Ų53.546%0.46326%0.255SS..Hα-helixtrans-66.9-45.4170.3-177.1164.5-170.900111.5D119 E120 F189D119-E123 PolarHBondContact O-N 3.32Å; E120-E123 PolarHBondContact O-N 2.96Å; E123-F189 HydrophobicContact CB-CD1 3.67Å; E123-F189 HydrophobicContact CB-CE1 3.94Å; E123-F189 HydrophobicContact CB-CG 4.48Å; E123-F189 HydrophobicContact CG-CD1 4.18Å
124H80.4Confident86.2Confident155 Ų15563.1 Ų63.172%0.71829%0.291SS*.Hα-helixtrans-82.8-36.8-178.3-61-43.3000113.9E120 A126E120-H124 PolarHBondContact O-CD2 2.86Å; E120-H124 PolarHBondContact O-N 3.44Å; H124-A126 PolarHBondContact O-N 2.88Å; H124-A126 VanDerWaalsContact O-N 3.11Å
125D86Confident85.8Confident43 Ų4364.3 Ų64.323%0.2330%0.299CS..  trans-85.483.9179.7-169.6-16.5000112.2N121 F127 L128 L129N121-D125 WeakPolarHBondContact O-CA 3.46Å; N121-D125 WeakPolarHBondContact O-CB 3.3Å; N121-D125 PolarHBondContact O-N 3.46Å; D125-F127 PolarHBondContact O-N 3.04Å; D125-F127 VanDerWaalsContact O-N 3.09Å; D125-F127 WeakPolarHBondContact OD1-CA 3.27Å; D125-F127 VanDerWaalsContact OD1-CB 3.25Å; D125-F127 WeakPolarHBondContact OD1-CB 3.25Å; D125-F127 PolarHBondContact OD1-N 3.19Å; D125-L128 HydrophobicContact CB-CB 4.19Å; D125-L128 HydrophobicContact CB-CD1 4.42Å; D125-L128 PolarHBondContact O-N 3.36Å; D125-L128 PolarHBondContact OD1-N 2.94Å; D125-L128 WeakPolarHBondContact OD2-CD1 3.24Å; D125-L128 WeakPolarHBondContact OD2-CG 3.4Å; D125-L129 WeakPolarHBondContact O-CB 3.42Å; D125-L129 PolarHBondContact O-N 2.92Å
126A82.4Confident85Confident35 Ų3570.3 Ų70.329%0.28933%0.325SS..Hα-helixtrans-61.6-12.1173.700000114.5H124 K130H124-A126 PolarHBondContact O-N 2.88Å; H124-A126 VanDerWaalsContact O-N 3.11Å; A126-K130 WeakPolarHBondContact O-CD 3.07Å; A126-K130 WeakPolarHBondContact O-CG 3.47Å; A126-K130 PolarHBondContact O-N 3.21Å; A126-K130 PolarHBondContact O-NZ 3.39Å
127F86.8Confident84.3Confident103 Ų10374.3 Ų74.345%0.45235%0.347SS..Hα-helixtrans-83.7-44.2174.1171.5-88.4000111.3D125 H131 L144 F148D125-F127 PolarHBondContact O-N 3.04Å; D125-F127 VanDerWaalsContact O-N 3.09Å; D125-F127 WeakPolarHBondContact OD1-CA 3.27Å; D125-F127 VanDerWaalsContact OD1-CB 3.25Å; D125-F127 WeakPolarHBondContact OD1-CB 3.25Å; D125-F127 PolarHBondContact OD1-N 3.19Å; F127-H131 AromaticContact CE1-CE1 3.86Å; F127-H131 AromaticContact CE1-ND1 3.86Å; F127-H131 AromaticContact CE2-CE1 3.49Å; F127-H131 VanDerWaalsContact CE2-CE1 3.49Å; F127-H131 WeakPolarHBondContact CE2-CE1 3.47Å; F127-H131 AromaticContact CZ-CE1 3.36Å; F127-H131 WeakPolarHBondContact CZ-CE1 3.14Å; F127-H131 AromaticContact CZ-ND1 3.84Å; F127-H131 PolarHBondContact O-N 3.37Å; F127-H131 PolarHBondContact O-ND1 2.96Å; F127-L144 HydrophobicContact CE1-CD1 3.97Å; F127-L144 HydrophobicContact CE1-CD2 3.99Å; F127-L144 HydrophobicContact CE1-CG 4.31Å; F127-L144 HydrophobicContact CZ-CD1 3.93Å; F127-L144 HydrophobicContact CZ-CD2 4.3Å; F127-F148 HydrophobicContact CD1-CE1 4.42Å; F127-F148 HydrophobicContact CE1-CE1 4.01Å; F127-F148 HydrophobicContact CE1-CZ 4.35Å
128L87.5Confident84.1Confident0 Ų074.8 Ų74.80%035%0.354CS..Hα-helixtrans-64.5-47.2172.1-89.6173.8000111.5Y116 L122 D125 K130 H131 V132 V140 L145 F148Y116-L128 VanDerWaalsContact O-CD1 3.3Å; Y116-L128 WeakPolarHBondContact O-CD1 3.43Å; L122-L128 HydrophobicContact CD2-CB 3.8Å; D125-L128 HydrophobicContact CB-CB 4.19Å; D125-L128 HydrophobicContact CB-CD1 4.42Å; D125-L128 PolarHBondContact O-N 3.36Å; D125-L128 PolarHBondContact OD1-N 2.94Å; D125-L128 WeakPolarHBondContact OD2-CD1 3.24Å; D125-L128 WeakPolarHBondContact OD2-CG 3.4Å; L128-K130 PolarHBondContact O-N 2.89Å; L128-H131 PolarHBondContact O-N 2.86Å; L128-V132 WeakPolarHBondContact O-CG2 3.37Å; L128-V132 PolarHBondContact O-N 2.9Å; L128-V140 HydrophobicContact CD2-CG1 4.42Å; L128-L145 HydrophobicContact CD2-CD2 4.07Å; L128-F148 HydrophobicContact CD1-CE2 3.82Å; L128-F148 HydrophobicContact CD1-CZ 4.12Å; L128-F148 HydrophobicContact CD2-CE2 3.75Å; L128-F148 HydrophobicContact CD2-CZ 3.58Å; L128-F148 HydrophobicContact CG-CE2 3.94Å; L128-F148 HydrophobicContact CG-CZ 3.74Å
129L85.6Confident84.1Confident0 Ų074.5 Ų74.50%035%0.349CS..Hα-helixtrans-55.9-38.7179.1-174.858.2000112.2D125 R133 F189D125-L129 WeakPolarHBondContact O-CB 3.42Å; D125-L129 PolarHBondContact O-N 2.92Å; L129-R133 HydrophobicContact CD1-CG 4.3Å; L129-R133 VanDerWaalsContact O-CB 3.31Å; L129-R133 WeakPolarHBondContact O-CB 3.28Å; L129-R133 VanDerWaalsContact O-CG 3.29Å; L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 2.88Å; L129-F189 HydrophobicContact CD1-CB 4.47Å; L129-F189 HydrophobicContact CD1-CD2 3.66Å; L129-F189 HydrophobicContact CD1-CE2 4.44Å; L129-F189 HydrophobicContact CD1-CG 4.47Å; L129-F189 HydrophobicContact CD2-CB 4.04Å
130K85.1Confident84.4Confident97 Ų9771.6 Ų71.642%0.42233%0.334SS..Hα-helixtrans-63.5-39.3173.2-79.1175.6-17084.90113.1A126 L128 R134 E192A126-K130 WeakPolarHBondContact O-CD 3.07Å; A126-K130 WeakPolarHBondContact O-CG 3.47Å; A126-K130 PolarHBondContact O-N 3.21Å; A126-K130 PolarHBondContact O-NZ 3.39Å; L128-K130 PolarHBondContact O-N 2.89Å; K130-R134 VanDerWaalsContact O-CB 3.22Å; K130-R134 WeakPolarHBondContact O-CB 3.37Å; K130-R134 PolarHBondContact O-N 3.33Å; K130-E192 WeakPolarHBondContact CE-OE1 3.31Å; K130-E192 IonicContact NZ-OE1 3.82Å; K130-E192 PolarHBondContact NZ-OE1 3.36Å; K130-E192 IonicContact NZ-OE2 2.78Å
131H85.9Confident84.7Confident55 Ų5567.2 Ų67.226%0.25532%0.318SS..Hα-helixtrans-71.2-41.1179.6-78.184.4000112.3F127 L128 R134 L144F127-H131 AromaticContact CE1-CE1 3.86Å; F127-H131 AromaticContact CE1-ND1 3.86Å; F127-H131 AromaticContact CE2-CE1 3.49Å; F127-H131 VanDerWaalsContact CE2-CE1 3.49Å; F127-H131 WeakPolarHBondContact CE2-CE1 3.47Å; F127-H131 AromaticContact CZ-CE1 3.36Å; F127-H131 WeakPolarHBondContact CZ-CE1 3.14Å; F127-H131 AromaticContact CZ-ND1 3.84Å; F127-H131 PolarHBondContact O-N 3.37Å; F127-H131 PolarHBondContact O-ND1 2.96Å; L128-H131 PolarHBondContact O-N 2.86Å; H131-R134 PolarHBondContact O-N 2.85Å; H131-L144 HydrophobicContact CB-CD2 4.45Å
132V86.4Confident85Confident10 Ų1066 Ų666%0.06131%0.312CS..Hα-helixtrans-59.4-54.2172.7175.20000110L122 L128 R134 N135 V140 V186L122-V132 HydrophobicContact CD2-CG2 4.22Å; L128-V132 WeakPolarHBondContact O-CG2 3.37Å; L128-V132 PolarHBondContact O-N 2.9Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 3.34Å; V132-N135 PolarHBondContact O-N 2.85Å; V132-V140 HydrophobicContact CG2-CG2 3.55Å; V132-V186 HydrophobicContact CG1-CG1 4.33Å; V132-V186 HydrophobicContact CG1-CG2 3.79Å
133R82.3Confident85.4Confident96 Ų9673.3 Ų73.336%0.36234%0.344SS..Hα-helixtrans-65.7-23.6-179.6-72.5177.1172.3173.7-3.7114.8L129 N135 F189L129-R133 HydrophobicContact CD1-CG 4.3Å; L129-R133 VanDerWaalsContact O-CB 3.31Å; L129-R133 WeakPolarHBondContact O-CB 3.28Å; L129-R133 VanDerWaalsContact O-CG 3.29Å; L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 2.88Å; R133-N135 PolarHBondContact O-N 3.33Å; R133-F189 PolarHBondContact NH2-O 2.86Å
134R83.3Confident85.9Confident201 Ų20170 Ų7076%0.75833%0.329SS*.Hα-helixtrans-65.6-26.2178-175.5172.2-174.6164.32.2112.4K130 H131 V132K130-R134 VanDerWaalsContact O-CB 3.22Å; K130-R134 WeakPolarHBondContact O-CB 3.37Å; K130-R134 PolarHBondContact O-N 3.33Å; H131-R134 PolarHBondContact O-N 2.85Å; V132-R134 VanDerWaalsContact C-N 3.29Å; V132-R134 PolarHBondContact O-N 3.34Å
135N83.7Confident86.5Confident69 Ų6962.6 Ų62.637%0.36930%0.295SS..SBendtrans-109.4129.1178.9-68.2-42.9000110.2V132 R133 L137 G138 F139V132-N135 PolarHBondContact O-N 2.85Å; R133-N135 PolarHBondContact O-N 3.33Å; N135-L137 PolarHBondContact O-N 3.34Å; N135-G138 PolarHBondContact O-N 3Å; N135-F139 PolarHBondContact ND2-O 2.99Å
136K75.4Confident86.8Confident219 Ų21961.2 Ų61.295%0.95229%0.288SS*.THydrogen-bonded Turntrans-55.9-21179.3-64.9-175.1178.2-1760114.5
137L77.1Confident87.3Confident111 Ų11162.7 Ų62.758%0.58130%0.296SS*.THydrogen-bonded Turntrans-109.511.4-177.3-59.8176.8000113N135 F139N135-L137 PolarHBondContact O-N 3.34Å; L137-F139 HydrophobicContact CB-CD2 3.64Å; L137-F139 HydrophobicContact CB-CE2 3.71Å; L137-F139 HydrophobicContact CD1-CD2 4.39Å; L137-F139 HydrophobicContact CD1-CE2 3.95Å; L137-F139 HydrophobicContact CG-CE2 4.5Å; L137-F139 PolarHBondContact O-N 3.42Å; L137-F139 VanDerWaalsContact O-N 3.12Å
138G82.5Confident87.5Confident16 Ų1659.1 Ų59.117%0.16528%0.28CS..  trans71.81175.200000116.8N135 V140N135-G138 PolarHBondContact O-N 3Å; G138-V140 PolarHBondContact O-N 3.25Å
139F89Confident87.8Confident23 Ų2367.5 Ų67.510%0.10132%0.317CS..  trans-63.1132.7-176.2-74-69.3000114.1N135 L137 N174 K179 V180 R181N135-F139 PolarHBondContact ND2-O 2.99Å; L137-F139 HydrophobicContact CB-CD2 3.64Å; L137-F139 HydrophobicContact CB-CE2 3.71Å; L137-F139 HydrophobicContact CD1-CD2 4.39Å; L137-F139 HydrophobicContact CD1-CE2 3.95Å; L137-F139 HydrophobicContact CG-CE2 4.5Å; L137-F139 PolarHBondContact O-N 3.42Å; L137-F139 VanDerWaalsContact O-N 3.12Å; F139-N174 HydrophobicContact CE1-CB 4.06Å; F139-K179 HydrophobicContact CB-CB 4.18Å; F139-K179 HydrophobicContact CB-CD 4.08Å; F139-K179 HydrophobicContact CD1-CB 4Å; F139-K179 HydrophobicContact CG-CB 4.37Å; F139-V180 CarbonylContact C-O 3.41Å; F139-V180 WeakPolarHBondContact CA-O 3.35Å; F139-R181 HydrophobicContact CD1-CB 3.74Å; F139-R181 HydrophobicContact CD1-CG 4.01Å; F139-R181 HydrophobicContact CE1-CB 3.94Å; F139-R181 HydrophobicContact CE1-CG 3.65Å; F139-R181 HydrophobicContact CG-CB 4.3Å; F139-R181 HydrophobicContact CZ-CG 4.17Å
140V91.7Very high88.1Confident4 Ų472.9 Ų72.92%0.02434%0.34CS..EExtended strand (participates in β ladder)trans-114.9144.9171.5-175.60000108.9L128 V132 G138 L144 L145 K179 V180L128-V140 HydrophobicContact CD2-CG1 4.42Å; V132-V140 HydrophobicContact CG2-CG2 3.55Å; G138-V140 PolarHBondContact O-N 3.25Å; V140-L144 HydrophobicContact CG1-CD2 4.12Å; V140-L145 HydrophobicContact CG1-CD2 4.06Å; V140-L145 HydrophobicContact CG1-CG 4.2Å; V140-K179 CarbonylContact O-C 3.41Å; V140-K179 WeakPolarHBondContact O-CA 3.39Å; V140-K179 WeakPolarHBondContact O-CB 3.35Å; V140-V180 PolarHBondContact N-O 3.45Å; V140-V180 PolarHBondContact O-N 3Å
141S93.4Very high88.6Confident49 Ų4968.3 Ų68.334%0.34332%0.32SS..EExtended strand (participates in β ladder)trans-76.4133.9179.546.30000111.9K143 L144 L145S141-K143 PolarHBondContact O-N 2.91Å; S141-L144 WeakPolarHBondContact O-CB 3.49Å; S141-L144 PolarHBondContact O-N 2.97Å; S141-L144 WeakPolarHBondContact OG-CB 3.28Å; S141-L145 PolarHBondContact O-N 2.76Å
142V93.5Very high88.9Confident0 Ų071.5 Ų71.50%033%0.333CS..Hα-helixtrans-60.3-37.1178.8177.70000110.8L144 L145 T146 T161 A162 L165 L173 R178 V180V142-L144 PolarHBondContact O-N 2.82Å; V142-L145 PolarHBondContact O-N 2.91Å; V142-L145 VanDerWaalsContact O-N 3.08Å; V142-T146 HydrophobicContact CG1-CG2 4.3Å; V142-T146 WeakPolarHBondContact O-CG2 3.46Å; V142-T146 PolarHBondContact O-N 2.79Å; V142-T161 HydrophobicContact CG1-CG2 3.81Å; V142-A162 HydrophobicContact CG1-CB 4.24Å; V142-L165 HydrophobicContact CG1-CD1 4.36Å; V142-L165 HydrophobicContact CG2-CD1 4.15Å; V142-L173 HydrophobicContact CG2-CD2 3.98Å; V142-R178 PolarHBondContact N-O 2.7Å; V142-V180 HydrophobicContact CG2-CB 4.46Å
143K93.4Very high89.2Confident154 Ų15479 Ų7967%0.6737%0.367SS*.Hα-helixtrans-62.4-22.8175-169.4168.7-176.51720114.3S141 T146S141-K143 PolarHBondContact O-N 2.91Å; K143-T146 WeakPolarHBondContact CA-OG1 3.31Å; K143-T146 PolarHBondContact O-OG1 3.46Å; K143-T146 VanDerWaalsContact O-OG1 3.07Å
144L92.8Very high89.6Confident30 Ų3077.4 Ų77.416%0.15737%0.366CS..Hα-helixtrans-77-45.5171.6-179.962.5000110.1F127 H131 V140 S141 V142 T146 S147 F148F127-L144 HydrophobicContact CE1-CD1 3.97Å; F127-L144 HydrophobicContact CE1-CD2 3.99Å; F127-L144 HydrophobicContact CE1-CG 4.31Å; F127-L144 HydrophobicContact CZ-CD1 3.93Å; F127-L144 HydrophobicContact CZ-CD2 4.3Å; H131-L144 HydrophobicContact CB-CD2 4.45Å; V140-L144 HydrophobicContact CG1-CD2 4.12Å; S141-L144 WeakPolarHBondContact O-CB 3.49Å; S141-L144 PolarHBondContact O-N 2.97Å; S141-L144 WeakPolarHBondContact OG-CB 3.28Å; V142-L144 PolarHBondContact O-N 2.82Å; L144-T146 VanDerWaalsContact C-N 3.32Å; L144-T146 PolarHBondContact O-N 2.74Å; L144-S147 WeakPolarHBondContact O-CB 3.49Å; L144-S147 PolarHBondContact O-N 2.77Å; L144-S147 PolarHBondContact O-OG 2.84Å; L144-F148 HydrophobicContact CD1-CE1 4.41Å; L144-F148 HydrophobicContact CG-CE1 4.26Å; L144-F148 HydrophobicContact CG-CZ 4.41Å
145L92.5Very high89.9Confident0 Ų068.4 Ų68.40%033%0.333CS..Hα-helixtrans-61.7-38.9178.4-58.2174.4000111.8I113 L128 V140 S141 V142 S147 F148 V180I113-L145 HydrophobicContact CG2-CD1 3.86Å; L128-L145 HydrophobicContact CD2-CD2 4.07Å; V140-L145 HydrophobicContact CG1-CD2 4.06Å; V140-L145 HydrophobicContact CG1-CG 4.2Å; S141-L145 PolarHBondContact O-N 2.76Å; V142-L145 PolarHBondContact O-N 2.91Å; V142-L145 VanDerWaalsContact O-N 3.08Å; L145-S147 PolarHBondContact O-N 2.87Å; L145-F148 HydrophobicContact CD2-CD2 4.12Å; L145-F148 HydrophobicContact CD2-CE2 3.48Å; L145-F148 VanDerWaalsContact CD2-CE2 3.48Å; L145-F148 HydrophobicContact CD2-CZ 4.15Å; L145-F148 WeakPolarHBondContact O-CB 3.31Å; L145-F148 PolarHBondContact O-N 3.07Å; L145-F148 VanDerWaalsContact O-N 3.16Å; L145-V180 HydrophobicContact CD1-CG1 3.35Å
146T93.1Very high90.2Very high13 Ų1375.1 Ų75.18%0.0835%0.353CS..THydrogen-bonded Turntrans-65.2-16.5173.561.30000114.3V142 K143 L144 W158 T161V142-T146 HydrophobicContact CG1-CG2 4.3Å; V142-T146 WeakPolarHBondContact O-CG2 3.46Å; V142-T146 PolarHBondContact O-N 2.79Å; K143-T146 WeakPolarHBondContact CA-OG1 3.31Å; K143-T146 PolarHBondContact O-OG1 3.46Å; K143-T146 VanDerWaalsContact O-OG1 3.07Å; L144-T146 VanDerWaalsContact C-N 3.32Å; L144-T146 PolarHBondContact O-N 2.74Å; T146-W158 HydrophobicContact CG2-CB 4.09Å; T146-T161 HydrophobicContact CG2-CG2 3.9Å; T146-T161 VanDerWaalsContact CG2-OG1 3.22Å; T146-T161 WeakPolarHBondContact CG2-OG1 3.46Å
147S92.1Very high90.9Very high66 Ų6669.3 Ų69.346%0.46233%0.333SS..THydrogen-bonded Turntrans-83.9-15.617779.10000113.3L144 L145L144-S147 WeakPolarHBondContact O-CB 3.49Å; L144-S147 PolarHBondContact O-N 2.77Å; L144-S147 PolarHBondContact O-OG 2.84Å; L145-S147 PolarHBondContact O-N 2.87Å
148F91.9Very high91.5Very high28 Ų2868.3 Ų68.312%0.12332%0.321CS..SBendtrans-67.8145.1-179-66.5-16.5000112.2Y116 F127 L128 L144 L145 K150 V151 K152Y116-F148 AromaticContact CD2-CD2 3.81Å; Y116-F148 HydrophobicContact CD2-CD2 3.81Å; Y116-F148 HydrophobicContact CD2-CE2 4.49Å; Y116-F148 HydrophobicContact CE2-CB 4.02Å; Y116-F148 AromaticContact CE2-CD2 3.88Å; Y116-F148 HydrophobicContact CE2-CD2 3.88Å; Y116-F148 HydrophobicContact CE2-CG 4.45Å; Y116-F148 HydrophobicContact CG-CD2 4.18Å; Y116-F148 HydrophobicContact CG-CE2 4.49Å; F127-F148 HydrophobicContact CD1-CE1 4.42Å; F127-F148 HydrophobicContact CE1-CE1 4.01Å; F127-F148 HydrophobicContact CE1-CZ 4.35Å; L128-F148 HydrophobicContact CD1-CE2 3.82Å; L128-F148 HydrophobicContact CD1-CZ 4.12Å; L128-F148 HydrophobicContact CD2-CE2 3.75Å; L128-F148 HydrophobicContact CD2-CZ 3.58Å; L128-F148 HydrophobicContact CG-CE2 3.94Å; L128-F148 HydrophobicContact CG-CZ 3.74Å; L144-F148 HydrophobicContact CD1-CE1 4.41Å; L144-F148 HydrophobicContact CG-CE1 4.26Å; L144-F148 HydrophobicContact CG-CZ 4.41Å; L145-F148 HydrophobicContact CD2-CD2 4.12Å; L145-F148 HydrophobicContact CD2-CE2 3.48Å; L145-F148 VanDerWaalsContact CD2-CE2 3.48Å; L145-F148 HydrophobicContact CD2-CZ 4.15Å; L145-F148 WeakPolarHBondContact O-CB 3.31Å; L145-F148 PolarHBondContact O-N 3.07Å; L145-F148 VanDerWaalsContact O-N 3.16Å; F148-K150 PolarHBondContact O-N 3.07Å; F148-V151 PolarHBondContact O-N 3.5Å; F148-K152 WeakPolarHBondContact O-CB 3.31Å; F148-K152 PolarHBondContact O-N 2.8Å
149K93.3Very high91.9Very high176 Ų17673.2 Ų73.277%0.76534%0.335SS*.Hα-helixtrans-49-55.5-172.1-67.1-178.9-179.2177.70112.1K152 H153K149-K152 PolarHBondContact O-N 2.78Å; K149-H153 PolarHBondContact O-N 2.92Å; K149-H153 PolarHBondContact O-ND1 3.04Å
150K92.4Very high92Very high114 Ų11472.8 Ų72.850%0.49633%0.334SS..Hα-helixtrans-66.1-45.4-175.1-61.7-173.3178.5-176.50112.6Q112 Y116 F148 K152 H153Q112-K150 VanDerWaalsContact CD-CD 3.49Å; Q112-K150 HydrophobicContact CG-CB 3.78Å; Q112-K150 HydrophobicContact CG-CD 4.46Å; Y116-K150 HydrophobicContact CE2-CB 4.38Å; Y116-K150 WeakPolarHBondContact OH-CB 3.36Å; Y116-K150 WeakPolarHBondContact OH-CG 3.25Å; F148-K150 PolarHBondContact O-N 3.07Å; K150-K152 PolarHBondContact O-N 3.13Å; K150-H153 PolarHBondContact O-N 3.46Å
151V93.8Very high92Very high0 Ų072.6 Ų72.60%033%0.333CS..Hα-helixtrans-64.6-39.2177.8178.50000111.8L109 Q112 I113 Y116 F148 H153 L154 T155L109-V151 HydrophobicContact CD2-CG1 3.83Å; Q112-V151 HydrophobicContact CG-CG2 4.06Å; I113-V151 HydrophobicContact CD1-CG2 4.26Å; I113-V151 HydrophobicContact CG1-CG2 3.8Å; Y116-V151 HydrophobicContact CD2-CG2 4.36Å; Y116-V151 HydrophobicContact CE2-CG2 4.05Å; F148-V151 PolarHBondContact O-N 3.5Å; V151-H153 VanDerWaalsContact C-N 3.28Å; V151-H153 PolarHBondContact O-N 2.89Å; V151-L154 WeakPolarHBondContact O-CB 3.37Å; V151-L154 PolarHBondContact O-N 3.09Å; V151-T155 PolarHBondContact O-N 3.22Å
152K93.6Very high92Very high122 Ų12270.7 Ų70.753%0.5332%0.32SS..Hα-helixtrans-65.4-25.5179.9-173179.7176.5-173.20114F148 K149 K150 T155F148-K152 WeakPolarHBondContact O-CB 3.31Å; F148-K152 PolarHBondContact O-N 2.8Å; K149-K152 PolarHBondContact O-N 2.78Å; K150-K152 PolarHBondContact O-N 3.13Å; K152-T155 WeakPolarHBondContact CA-O 3.48Å
153H92.1Very high91.9Very high167 Ų16774.2 Ų74.277%0.77333%0.334SS*.Hα-helixtrans-77-27172.1-71.889.4000112.1K149 K150 V151K149-H153 PolarHBondContact O-N 2.92Å; K149-H153 PolarHBondContact O-ND1 3.04Å; K150-H153 PolarHBondContact O-N 3.46Å; V151-H153 VanDerWaalsContact C-N 3.28Å; V151-H153 PolarHBondContact O-N 2.89Å
154L90.6Very high91.8Very high63 Ų6366.9 Ų66.933%0.3330%0.302SS..Hα-helixtrans-80.7-50.1176-62.9174.2000111.7L105 K108 L109 V151L105-L154 HydrophobicContact CD1-CB 3.97Å; L105-L154 HydrophobicContact CD1-CD2 4.22Å; K108-L154 HydrophobicContact CB-CD1 4.07Å; K108-L154 HydrophobicContact CB-CD2 4.34Å; L109-L154 HydrophobicContact CD2-CB 3.81Å; L109-L154 HydrophobicContact CD2-CD1 3.96Å; L109-L154 HydrophobicContact CG-CB 4.42Å; L109-L154 HydrophobicContact CG-CD1 4.29Å; V151-L154 WeakPolarHBondContact O-CB 3.37Å; V151-L154 PolarHBondContact O-N 3.09Å
155T91Very high91.8Very high13 Ų1365.6 Ų65.68%0.0830%0.295CS..  trans-145.1154.2178.660.50000112.3L105 L109 V151 K152 T160 T161L105-T155 HydrophobicContact CD1-CG2 4.35Å; L105-T155 HydrophobicContact CD2-CG2 3.77Å; L105-T155 HydrophobicContact CG-CG2 4.19Å; L109-T155 HydrophobicContact CD1-CG2 3.87Å; L109-T155 HydrophobicContact CD2-CG2 4.36Å; V151-T155 PolarHBondContact O-N 3.22Å; K152-T155 WeakPolarHBondContact CA-O 3.48Å; T155-T160 HydrophobicContact CG2-CG2 3.92Å; T155-T161 PolarHBondContact OG1-OG1 2.86Å
156R88.7Confident91.7Very high209 Ų20972.6 Ų72.679%0.78933%0.326SS*.SBendtrans-101-13.7170-62.5-180-177.2177.73.1112.4
157D90.5Very high91.4Very high97 Ų9777.1 Ų77.152%0.51935%0.346SS..  trans-98.6120.9-169.9-59.8-62.7000113R159 T160 T161D157-R159 VanDerWaalsContact C-N 3.29Å; D157-R159 PolarHBondContact O-N 2.83Å; D157-T160 WeakPolarHBondContact CB-OG1 3.43Å; D157-T160 PolarHBondContact O-N 3.07Å; D157-T161 PolarHBondContact O-N 2.85Å; D157-T161 PolarHBondContact O-OG1 3.44Å
158W89.9Confident91.2Very high90 Ų9074.4 Ų74.434%0.34133%0.326SS..Hα-helixtrans-67.8-2817875.7-87.4000112.7T146 T161 A162 R178T146-W158 HydrophobicContact CG2-CB 4.09Å; W158-T161 PolarHBondContact O-N 2.79Å; W158-A162 HydrophobicContact CE3-CB 4.34Å; W158-A162 HydrophobicContact CZ3-CB 4.47Å; W158-A162 VanDerWaalsContact O-CB 3.24Å; W158-A162 WeakPolarHBondContact O-CB 3.4Å; W158-A162 PolarHBondContact O-N 3.27Å; W158-R178 HydrophobicContact CH2-CG 4.47Å; W158-R178 HydrophobicContact CZ3-CG 4.3Å
159R91Very high90.9Very high120 Ų12081.8 Ų81.845%0.45336%0.359SS..Hα-helixtrans-62.4-47.1174.8-66.9-175.8-177.3-10812110.5D157 A162 Y163D157-R159 VanDerWaalsContact C-N 3.29Å; D157-R159 PolarHBondContact O-N 2.83Å; R159-A162 PolarHBondContact O-N 2.84Å; R159-Y163 PolarHBondContact O-N 2.76Å
160T91.3Very high90.6Very high14 Ų1477.6 Ų77.69%0.08634%0.343CS..Hα-helixtrans-62.3-43.5177.7-49.10000111.8W98 P101 T155 D157 Y163 A164W98-T160 PolarHBondContact NE1-OG1 3.22Å; P101-T160 HydrophobicContact CB-CG2 3.62Å; P101-T160 HydrophobicContact CG-CG2 3.52Å; T155-T160 HydrophobicContact CG2-CG2 3.92Å; D157-T160 WeakPolarHBondContact CB-OG1 3.43Å; D157-T160 PolarHBondContact O-N 3.07Å; T160-Y163 PolarHBondContact O-N 3.14Å; T160-A164 PolarHBondContact O-N 2.8Å
161T92.3Very high90.5Very high0 Ų072.3 Ų72.30%032%0.321CS..Hα-helixtrans-66.6-41.4173.6-60.30000112.4I113 V142 T146 T155 D157 W158 Y163 A164 L165I113-T161 HydrophobicContact CD1-CG2 3.36Å; V142-T161 HydrophobicContact CG1-CG2 3.81Å; T146-T161 HydrophobicContact CG2-CG2 3.9Å; T146-T161 VanDerWaalsContact CG2-OG1 3.22Å; T146-T161 WeakPolarHBondContact CG2-OG1 3.46Å; T155-T161 PolarHBondContact OG1-OG1 2.86Å; D157-T161 PolarHBondContact O-N 2.85Å; D157-T161 PolarHBondContact O-OG1 3.44Å; W158-T161 PolarHBondContact O-N 2.79Å; T161-Y163 VanDerWaalsContact C-N 3.32Å; T161-Y163 PolarHBondContact O-N 3.09Å; T161-A164 PolarHBondContact O-N 2.98Å; T161-L165 HydrophobicContact CG2-CD1 4.04Å; T161-L165 HydrophobicContact CG2-CG 4.42Å; T161-L165 WeakPolarHBondContact O-CB 3.41Å; T161-L165 VanDerWaalsContact O-CG 3.3Å; T161-L165 WeakPolarHBondContact O-CG 3.38Å; T161-L165 PolarHBondContact O-N 3.38Å
162A92.4Very high90.4Very high8 Ų875.5 Ų75.57%0.06634%0.336CS..Hα-helixtrans-64.2-36.317700000112V142 W158 R159 K166 L173 G177V142-A162 HydrophobicContact CG1-CB 4.24Å; W158-A162 HydrophobicContact CE3-CB 4.34Å; W158-A162 HydrophobicContact CZ3-CB 4.47Å; W158-A162 VanDerWaalsContact O-CB 3.24Å; W158-A162 WeakPolarHBondContact O-CB 3.4Å; W158-A162 PolarHBondContact O-N 3.27Å; R159-A162 PolarHBondContact O-N 2.84Å; A162-K166 PolarHBondContact O-N 3.3Å; A162-L173 WeakPolarHBondContact O-CD1 3.45Å; A162-G177 WeakPolarHBondContact CB-O 3.47Å
163Y91.3Very high90.2Very high75 Ų7571.3 Ų71.329%0.29432%0.319SS..Hα-helixtrans-65-50.6172.5-175.4-96.4000111.5W98 P100 P101 I106 R159 T160 T161 L165 K166 H167W98-Y163 AromaticContact CH2-CD1 3.86Å; W98-Y163 HydrophobicContact CH2-CD1 3.86Å; W98-Y163 AromaticContact CH2-CD2 3.46Å; W98-Y163 HydrophobicContact CH2-CD2 3.46Å; W98-Y163 VanDerWaalsContact CH2-CD2 3.46Å; W98-Y163 HydrophobicContact CH2-CE1 4.38Å; W98-Y163 HydrophobicContact CH2-CE2 4.04Å; W98-Y163 AromaticContact CH2-CG 3.35Å; W98-Y163 HydrophobicContact CH2-CG 3.35Å; W98-Y163 HydrophobicContact CZ2-CD1 4.4Å; W98-Y163 HydrophobicContact CZ2-CD2 4.41Å; W98-Y163 AromaticContact CZ2-CG 3.94Å; W98-Y163 HydrophobicContact CZ2-CG 3.94Å; W98-Y163 HydrophobicContact CZ3-CD2 4.02Å; W98-Y163 HydrophobicContact CZ3-CE2 4.38Å; W98-Y163 HydrophobicContact CZ3-CG 4.35Å; P100-Y163 HydrophobicContact CB-CE1 4.29Å; P101-Y163 HydrophobicContact CG-CD1 4.41Å; I106-Y163 HydrophobicContact CD1-CD1 4.01Å; I106-Y163 HydrophobicContact CD1-CE1 3.79Å; R159-Y163 PolarHBondContact O-N 2.76Å; T160-Y163 PolarHBondContact O-N 3.14Å; T161-Y163 VanDerWaalsContact C-N 3.32Å; T161-Y163 PolarHBondContact O-N 3.09Å; Y163-L165 VanDerWaalsContact C-N 3.26Å; Y163-L165 PolarHBondContact O-N 3Å; Y163-K166 VanDerWaalsContact O-CB 3.3Å; Y163-K166 WeakPolarHBondContact O-CB 3.49Å; Y163-K166 PolarHBondContact O-N 3.49Å; Y163-H167 AromaticContact CE1-NE2 3.5Å; Y163-H167 WeakPolarHBondContact CE1-NE2 3.25Å; Y163-H167 AromaticContact CZ-NE2 3.72Å; Y163-H167 PolarHBondContact O-CD2 2.89Å
164A92.1Very high90.2Very high0 Ų065.3 Ų65.30%029%0.293CS..Hα-helixtrans-54.4-43.8178.300000112I106 L109 V110 T160 T161 K166 H167I106-A164 HydrophobicContact CB-CB 4.24Å; I106-A164 HydrophobicContact CG1-CB 4.2Å; I106-A164 HydrophobicContact CG2-CB 3.95Å; L109-A164 HydrophobicContact CB-CB 4.02Å; L109-A164 HydrophobicContact CD1-CB 4Å; V110-A164 HydrophobicContact CG2-CB 4.28Å; V110-A164 WeakPolarHBondContact CG2-O 3.39Å; T160-A164 PolarHBondContact O-N 2.8Å; T161-A164 PolarHBondContact O-N 2.98Å; A164-K166 PolarHBondContact O-N 3Å; A164-H167 PolarHBondContact O-N 2.83Å
165L91.6Very high90Very high3 Ų370.2 Ų70.22%0.01632%0.319CS..Hα-helixtrans-63.2-19.8178.1-72.2171.9000114.6I113 V142 T161 Y163 H167 S168 L171 L173 V180I113-L165 HydrophobicContact CB-CD2 4.03Å; I113-L165 HydrophobicContact CD1-CD1 4.16Å; I113-L165 HydrophobicContact CD1-CD2 4Å; I113-L165 HydrophobicContact CD1-CG 4.2Å; I113-L165 HydrophobicContact CG2-CD2 3.76Å; V142-L165 HydrophobicContact CG1-CD1 4.36Å; V142-L165 HydrophobicContact CG2-CD1 4.15Å; T161-L165 HydrophobicContact CG2-CD1 4.04Å; T161-L165 HydrophobicContact CG2-CG 4.42Å; T161-L165 WeakPolarHBondContact O-CB 3.41Å; T161-L165 VanDerWaalsContact O-CG 3.3Å; T161-L165 WeakPolarHBondContact O-CG 3.38Å; T161-L165 PolarHBondContact O-N 3.38Å; Y163-L165 VanDerWaalsContact C-N 3.26Å; Y163-L165 PolarHBondContact O-N 3Å; L165-H167 PolarHBondContact O-N 3.19Å; L165-S168 WeakPolarHBondContact O-CB 3.45Å; L165-S168 PolarHBondContact O-N 3.19Å; L165-S168 PolarHBondContact O-OG 3.07Å; L165-L171 HydrophobicContact CD2-CD1 3.76Å; L165-L173 HydrophobicContact CB-CD1 3.85Å; L165-L173 HydrophobicContact CB-CD2 4.03Å; L165-L173 HydrophobicContact CB-CG 4.11Å; L165-L173 HydrophobicContact CD1-CD2 4.2Å; L165-V180 HydrophobicContact CD1-CB 4.33Å; L165-V180 HydrophobicContact CD1-CG1 4.43Å; L165-V180 HydrophobicContact CD1-CG2 4.36Å
166K90Very high89.8Confident146 Ų14674.6 Ų74.664%0.63534%0.339SS*.Hα-helixtrans-64.5-26.7172.5-66.5180177.9-174.50112.7A162 Y163 A164 S168 L173A162-K166 PolarHBondContact O-N 3.3Å; Y163-K166 VanDerWaalsContact O-CB 3.3Å; Y163-K166 WeakPolarHBondContact O-CB 3.49Å; Y163-K166 PolarHBondContact O-N 3.49Å; A164-K166 PolarHBondContact O-N 3Å; K166-S168 VanDerWaalsContact C-N 3.34Å; K166-L173 HydrophobicContact CB-CD1 4.33Å; K166-L173 HydrophobicContact CG-CD1 3.52Å
167H87.1Confident89.7Confident109 Ų10965.2 Ų65.251%0.50531%0.307SS..THydrogen-bonded Turntrans-86.6-5.8178.9-58.8-84.2000113.1I106 Y163 A164 L165I106-H167 HydrophobicContact CG2-CB 4.44Å; Y163-H167 AromaticContact CE1-NE2 3.5Å; Y163-H167 WeakPolarHBondContact CE1-NE2 3.25Å; Y163-H167 AromaticContact CZ-NE2 3.72Å; Y163-H167 PolarHBondContact O-CD2 2.89Å; A164-H167 PolarHBondContact O-N 2.83Å; L165-H167 PolarHBondContact O-N 3.19Å
168S89.1Confident89.6Confident8 Ų867.2 Ų67.26%0.05631%0.307CS..  trans-72.7139.5179.671.20000112.1E114 L165 K166 L171E114-S168 WeakPolarHBondContact OE1-CB 3.26Å; L165-S168 WeakPolarHBondContact O-CB 3.45Å; L165-S168 PolarHBondContact O-N 3.19Å; L165-S168 PolarHBondContact O-OG 3.07Å; K166-S168 VanDerWaalsContact C-N 3.34Å; S168-L171 WeakPolarHBondContact OG-CB 3.35Å
169K86.1Confident89.7Confident184 Ų18467.1 Ų67.180%0.831%0.309SS*.SBendtrans-87.5-34179.9-68.7178.5-177174.40111.5E114 K183E114-K169 PolarHBondContact OE1-N 3.41Å; K169-K183 VanDerWaalsContact O-CD 3.29Å; K169-K183 WeakPolarHBondContact O-CD 3.42Å; K169-K183 PolarHBondContact O-NZ 3.16Å
170I86.5Confident89.8Confident87 Ų8761.4 Ų61.445%0.44629%0.287SS..SBendtrans-85-28.2-171.9-55.2175.5000112E114 K183E114-I170 HydrophobicContact CB-CD1 4.47Å; E114-I170 HydrophobicContact CG-CB 4.34Å; E114-I170 HydrophobicContact CG-CD1 4.32Å; E114-I170 WeakPolarHBondContact OE1-CB 3.26Å; E114-I170 PolarHBondContact OE1-N 3.34Å; I170-K183 WeakPolarHBondContact O-CB 3.35Å; I170-K183 PolarHBondContact O-N 3.32Å
171L90.1Very high89.7Confident3 Ų364.1 Ų64.12%0.01630%0.296CS..EExtended strand (participates in β ladder)trans-106.9160.9-173.6-49.7173.5000111.7I113 E114 L117 L165 S168 V180 R181 R182 K183I113-L171 HydrophobicContact CG2-CD1 3.85Å; E114-L171 HydrophobicContact CG-CD1 3.86Å; E114-L171 HydrophobicContact CG-CG 4.08Å; L117-L171 HydrophobicContact CB-CD2 4.08Å; L117-L171 HydrophobicContact CD1-CD1 3.93Å; L117-L171 HydrophobicContact CD1-CD2 3.65Å; L117-L171 HydrophobicContact CD1-CG 4.43Å; L165-L171 HydrophobicContact CD2-CD1 3.76Å; S168-L171 WeakPolarHBondContact OG-CB 3.35Å; L171-V180 HydrophobicContact CB-CG2 3.7Å; L171-V180 HydrophobicContact CD1-CG2 4.26Å; L171-V180 HydrophobicContact CG-CG2 4.46Å; L171-R181 CarbonylContact C-O 3.51Å; L171-R181 WeakPolarHBondContact CA-O 3.22Å; L171-R182 HydrophobicContact CD2-CB 4.43Å; L171-R182 HydrophobicContact CD2-CG 3.76Å; L171-K183 WeakPolarHBondContact O-CE 3.44Å; L171-K183 PolarHBondContact O-NZ 2.95Å
172E90.3Very high89.5Confident68 Ų6865.5 Ų65.532%0.31830%0.301SS..EExtended strand (participates in β ladder)trans-134.4129179.8-173.5-171.1166.100109.2V180 R181 K183E172-V180 CarbonylContact O-C 3.58Å; E172-V180 VanDerWaalsContact O-CA 3.31Å; E172-V180 WeakPolarHBondContact O-CA 3.26Å; E172-V180 WeakPolarHBondContact O-CG2 3.34Å; E172-R181 HydrophobicContact CB-CG 4.06Å; E172-R181 VanDerWaalsContact CD-NE 3.35Å; E172-R181 PolarHBondContact N-O 3.09Å; E172-R181 PolarHBondContact O-N 3.05Å; E172-R181 IonicContact OE1-CZ 2.67Å; E172-R181 IonicContact OE1-NE 3.22Å; E172-R181 IonicContact OE1-NH2 3.72Å; E172-R181 PolarHBondContact OE1-NH2 2.94Å; E172-R181 IonicContact OE2-CZ 2.61Å; E172-R181 IonicContact OE2-NE 2.96Å; E172-R181 PolarHBondContact OE2-NE 3.3Å; E172-R181 IonicContact OE2-NH2 3.22Å; E172-R181 PolarHBondContact OE2-NH2 3.4Å; E172-K183 HydrophobicContact CB-CG 3.82Å
173L91Very high89.1Confident33 Ų3370.6 Ų70.617%0.17332%0.322CS..EExtended strand (participates in β ladder)trans-88.6146174.3-71.6162.8000110.4V142 A162 L165 K166 K179 V180V142-L173 HydrophobicContact CG2-CD2 3.98Å; A162-L173 WeakPolarHBondContact O-CD1 3.45Å; L165-L173 HydrophobicContact CB-CD1 3.85Å; L165-L173 HydrophobicContact CB-CD2 4.03Å; L165-L173 HydrophobicContact CB-CG 4.11Å; L165-L173 HydrophobicContact CD1-CD2 4.2Å; K166-L173 HydrophobicContact CB-CD1 4.33Å; K166-L173 HydrophobicContact CG-CD1 3.52Å; L173-K179 WeakPolarHBondContact CA-O 3.45Å; L173-V180 HydrophobicContact CD2-CB 3.92Å; L173-V180 HydrophobicContact CD2-CG2 4.22Å
174N90.9Very high88.5Confident42 Ų4269.4 Ų69.423%0.22533%0.325CS..  trans-63.8156.4165.4-168.567.3000110.3F139 E176 G177 K179F139-N174 HydrophobicContact CE1-CB 4.06Å; N174-E176 PolarHBondContact O-N 3.1Å; N174-G177 WeakPolarHBondContact O-CA 3.4Å; N174-G177 PolarHBondContact O-N 3.27Å; N174-K179 HydrophobicContact CB-CB 4.17Å; N174-K179 PolarHBondContact N-O 3.1Å
175D86.6Confident87.5Confident166 Ų16673.9 Ų73.989%0.88836%0.361SS*.THydrogen-bonded Turntrans-50.9-35.7-177.7-49.2-47.2000113.5G177D175-G177 VanDerWaalsContact C-N 3.31Å; D175-G177 PolarHBondContact O-N 2.91Å
176E86.2Confident86.4Confident105 Ų10575.9 Ų75.949%0.49137%0.374SS..THydrogen-bonded Turntrans-77.6-6.4178.2-50.1178.1143.600114.9N174 R178N174-E176 PolarHBondContact O-N 3.1Å; E176-R178 HydrophobicContact CB-CB 4.43Å; E176-R178 HydrophobicContact CB-CG 4.03Å; E176-R178 WeakPolarHBondContact O-CG 3.21Å; E176-R178 PolarHBondContact O-N 2.67Å; E176-R178 IonicContact OE1-CZ 2.7Å; E176-R178 IonicContact OE1-NE 3.65Å; E176-R178 IonicContact OE1-NH2 2.77Å; E176-R178 PolarHBondContact OE1-NH2 2.73Å; E176-R178 IonicContact OE2-CZ 2.96Å; E176-R178 VanDerWaalsContact OE2-CZ 3.26Å; E176-R178 IonicContact OE2-NE 3.26Å; E176-R178 PolarHBondContact OE2-NE 3.01Å; E176-R178 IonicContact OE2-NH2 3.93Å; E176-R178 PolarHBondContact OE2-NH2 2.79Å
177G86.8Confident85.1Confident11 Ų1171.6 Ų71.611%0.11336%0.361CS..SBendtrans66.8-0.6-17200000116A162 N174 D175A162-G177 WeakPolarHBondContact CB-O 3.47Å; N174-G177 WeakPolarHBondContact O-CA 3.4Å; N174-G177 PolarHBondContact O-N 3.27Å; D175-G177 VanDerWaalsContact C-N 3.31Å; D175-G177 PolarHBondContact O-N 2.91Å
178R89.3Confident83.8Confident140 Ų14072.7 Ų72.753%0.52838%0.375SS..SBendtrans-81.8-17.6-173.2-60.7-165.3-74.8-154.91115V142 W158 E176V142-R178 PolarHBondContact N-O 2.7Å; W158-R178 HydrophobicContact CH2-CG 4.47Å; W158-R178 HydrophobicContact CZ3-CG 4.3Å; E176-R178 HydrophobicContact CB-CB 4.43Å; E176-R178 HydrophobicContact CB-CG 4.03Å; E176-R178 WeakPolarHBondContact O-CG 3.21Å; E176-R178 PolarHBondContact O-N 2.67Å; E176-R178 IonicContact OE1-CZ 2.7Å; E176-R178 IonicContact OE1-NE 3.65Å; E176-R178 IonicContact OE1-NH2 2.77Å; E176-R178 PolarHBondContact OE1-NH2 2.73Å; E176-R178 IonicContact OE2-CZ 2.96Å; E176-R178 VanDerWaalsContact OE2-CZ 3.26Å; E176-R178 IonicContact OE2-NE 3.26Å; E176-R178 PolarHBondContact OE2-NE 3.01Å; E176-R178 IonicContact OE2-NH2 3.93Å; E176-R178 PolarHBondContact OE2-NH2 2.79Å
179K92.1Very high82.4Confident88 Ų8873 Ų7338%0.38338%0.375SS..EExtended strand (participates in β ladder)trans-137.5150.1-177.6-61.4177.5-171.8167.30110.3F139 V140 L173 N174F139-K179 HydrophobicContact CB-CB 4.18Å; F139-K179 HydrophobicContact CB-CD 4.08Å; F139-K179 HydrophobicContact CD1-CB 4Å; F139-K179 HydrophobicContact CG-CB 4.37Å; V140-K179 CarbonylContact O-C 3.41Å; V140-K179 WeakPolarHBondContact O-CA 3.39Å; V140-K179 WeakPolarHBondContact O-CB 3.35Å; L173-K179 WeakPolarHBondContact CA-O 3.45Å; N174-K179 HydrophobicContact CB-CB 4.17Å; N174-K179 PolarHBondContact N-O 3.1Å
180V92.1Very high80.8Confident0 Ų066.3 Ų66.30%035%0.354CS..EExtended strand (participates in β ladder)trans-125.7145.3176.767.20000109.8L117 F139 V140 V142 L145 L165 L171 E172 L173L117-V180 HydrophobicContact CD1-CG1 4.28Å; F139-V180 CarbonylContact C-O 3.41Å; F139-V180 WeakPolarHBondContact CA-O 3.35Å; V140-V180 PolarHBondContact N-O 3.45Å; V140-V180 PolarHBondContact O-N 3Å; V142-V180 HydrophobicContact CG2-CB 4.46Å; L145-V180 HydrophobicContact CD1-CG1 3.35Å; L165-V180 HydrophobicContact CD1-CB 4.33Å; L165-V180 HydrophobicContact CD1-CG1 4.43Å; L165-V180 HydrophobicContact CD1-CG2 4.36Å; L171-V180 HydrophobicContact CB-CG2 3.7Å; L171-V180 HydrophobicContact CD1-CG2 4.26Å; L171-V180 HydrophobicContact CG-CG2 4.46Å; E172-V180 CarbonylContact O-C 3.58Å; E172-V180 VanDerWaalsContact O-CA 3.31Å; E172-V180 WeakPolarHBondContact O-CA 3.26Å; E172-V180 WeakPolarHBondContact O-CG2 3.34Å; L173-V180 HydrophobicContact CD2-CB 3.92Å; L173-V180 HydrophobicContact CD2-CG2 4.22Å
181R89.5Confident79.2Confident71 Ų7165.2 Ų65.227%0.26835%0.354SS..EExtended strand (participates in β ladder)trans-127.5167167.765.7174.8178.3-162.4-4.1109.6F139 L171 E172F139-R181 HydrophobicContact CD1-CB 3.74Å; F139-R181 HydrophobicContact CD1-CG 4.01Å; F139-R181 HydrophobicContact CE1-CB 3.94Å; F139-R181 HydrophobicContact CE1-CG 3.65Å; F139-R181 HydrophobicContact CG-CB 4.3Å; F139-R181 HydrophobicContact CZ-CG 4.17Å; L171-R181 CarbonylContact C-O 3.51Å; L171-R181 WeakPolarHBondContact CA-O 3.22Å; E172-R181 HydrophobicContact CB-CG 4.06Å; E172-R181 VanDerWaalsContact CD-NE 3.35Å; E172-R181 PolarHBondContact N-O 3.09Å; E172-R181 PolarHBondContact O-N 3.05Å; E172-R181 IonicContact OE1-CZ 2.67Å; E172-R181 IonicContact OE1-NE 3.22Å; E172-R181 IonicContact OE1-NH2 3.72Å; E172-R181 PolarHBondContact OE1-NH2 2.94Å; E172-R181 IonicContact OE2-CZ 2.61Å; E172-R181 IonicContact OE2-NE 2.96Å; E172-R181 PolarHBondContact OE2-NE 3.3Å; E172-R181 IonicContact OE2-NH2 3.22Å; E172-R181 PolarHBondContact OE2-NH2 3.4Å
182R89.1Confident77.5Confident29 Ų2968.4 Ų68.411%0.10937%0.369CS..EExtended strand (participates in β ladder)trans-77.9145.3164.2-67175.166.3171.2-12.2109.5L117 D119 L171 S184L117-R182 HydrophobicContact CB-CG 4.18Å; L117-R182 WeakPolarHBondContact O-CD 3.38Å; L117-R182 VanDerWaalsContact O-CZ 3.3Å; L117-R182 PolarHBondContact O-NE 3.13Å; L117-R182 PolarHBondContact O-NH1 3.45Å; D119-R182 IonicContact OD1-CZ 2.73Å; D119-R182 IonicContact OD1-NH1 3.19Å; D119-R182 PolarHBondContact OD1-NH1 3.25Å; D119-R182 IonicContact OD1-NH2 3.8Å; D119-R182 PolarHBondContact OD1-NH2 3.09Å; D119-R182 IonicContact OD2-CZ 3.57Å; D119-R182 IonicContact OD2-NH1 2.69Å; D119-R182 IonicContact OD2-NH2 3.65Å; D119-R182 PolarHBondContact OD2-NH2 3.37Å; L171-R182 HydrophobicContact CD2-CB 4.43Å; L171-R182 HydrophobicContact CD2-CG 3.76Å; R182-S184 WeakPolarHBondContact CB-O 3.46Å; R182-S184 PolarHBondContact NE-OG 3.28Å; R182-S184 VanDerWaalsContact NE-OG 3.12Å; R182-S184 PolarHBondContact NH2-OG 2.89Å
183K84Confident75.6Confident114 Ų11468.8 Ų68.850%0.49638%0.379SS..SBendtrans-75.2-38.8168.4-69.7169.1174.9138.70111.3K169 I170 L171 E172K169-K183 VanDerWaalsContact O-CD 3.29Å; K169-K183 WeakPolarHBondContact O-CD 3.42Å; K169-K183 PolarHBondContact O-NZ 3.16Å; I170-K183 WeakPolarHBondContact O-CB 3.35Å; I170-K183 PolarHBondContact O-N 3.32Å; L171-K183 WeakPolarHBondContact O-CE 3.44Å; L171-K183 PolarHBondContact O-NZ 2.95Å; E172-K183 HydrophobicContact CB-CG 3.82Å
184S77.8Confident73.7Confident51 Ų5171 Ų7136%0.35739%0.391SS..SBendtrans-66.7140.7169.7680000110R182 V186R182-S184 WeakPolarHBondContact CB-O 3.46Å; R182-S184 PolarHBondContact NE-OG 3.28Å; R182-S184 VanDerWaalsContact NE-OG 3.12Å; R182-S184 PolarHBondContact NH2-OG 2.89Å; S184-V186 PolarHBondContact O-N 2.82Å
185A71.8Confident72.2Confident93 Ų9370.5 Ų70.577%0.76939%0.39SS*.PPolyproline II helixtrans-56.1140.2166.200000109.6P187A185-P187 WeakPolarHBondContact O-CD 3.12Å
186V67.3Low71.2Confident46 Ų4664.6 Ų64.628%0.27936%0.362SS..PPolyproline II helixtrans-75123.6177.2-176.60000107.2L122 V132 S184 F189L122-V186 HydrophobicContact CD1-CG1 4.44Å; V132-V186 HydrophobicContact CG1-CG1 4.33Å; V132-V186 HydrophobicContact CG1-CG2 3.79Å; S184-V186 PolarHBondContact O-N 2.82Å; V186-F189 HydrophobicContact CG1-CD2 4.1Å; V186-F189 HydrophobicContact CG1-CE2 3.61Å
187P64.5Low71Confident56 Ų5665.7 Ų65.736%0.36436%0.361SS..PPolyproline II helixtrans-53.6150.8175-27.736.6000111.7D119 A185 F189D119-P187 HydrophobicContact CB-CG 4.46Å; D119-P187 WeakPolarHBondContact OD1-CD 3.26Å; D119-P187 WeakPolarHBondContact OD1-CG 2.92Å; A185-P187 WeakPolarHBondContact O-CD 3.12Å; P187-F189 HydrophobicContact CB-CE1 4.05Å; P187-F189 HydrophobicContact CB-CE2 4.25Å; P187-F189 HydrophobicContact CB-CZ 3.87Å; P187-F189 HydrophobicContact CG-CE1 4.4Å; P187-F189 HydrophobicContact CG-CE2 4.48Å; P187-F189 HydrophobicContact CG-CZ 3.93Å; P187-F189 WeakPolarHBondContact O-CD2 3.38Å; P187-F189 PolarHBondContact O-N 3.37Å
188V59.3Low70.9Confident131 Ų13166.6 Ų66.679%0.79436%0.363SS*.  trans-7874.7179.3-173.70000108.8A190V188-A190 PolarHBondContact O-N 2.98Å
189F60.1Low70.8Confident14 Ų1460 Ų606%0.06134%0.338CS..  trans-57.3111.7179.4-61-69.4000110.7D119 L122 E123 L129 R133 V186 P187 S191D119-F189 HydrophobicContact CB-CE1 4.23Å; D119-F189 HydrophobicContact CB-CZ 3.97Å; D119-F189 VanDerWaalsContact O-CE1 3.26Å; D119-F189 WeakPolarHBondContact O-CE1 3.2Å; D119-F189 WeakPolarHBondContact O-CZ 3.29Å; L122-F189 HydrophobicContact CB-CD2 4.3Å; L122-F189 HydrophobicContact CB-CE2 3.62Å; L122-F189 HydrophobicContact CB-CZ 3.92Å; L122-F189 HydrophobicContact CD1-CE2 4.44Å; E123-F189 HydrophobicContact CB-CD1 3.67Å; E123-F189 HydrophobicContact CB-CE1 3.94Å; E123-F189 HydrophobicContact CB-CG 4.48Å; E123-F189 HydrophobicContact CG-CD1 4.18Å; L129-F189 HydrophobicContact CD1-CB 4.47Å; L129-F189 HydrophobicContact CD1-CD2 3.66Å; L129-F189 HydrophobicContact CD1-CE2 4.44Å; L129-F189 HydrophobicContact CD1-CG 4.47Å; L129-F189 HydrophobicContact CD2-CB 4.04Å; R133-F189 PolarHBondContact NH2-O 2.86Å; V186-F189 HydrophobicContact CG1-CD2 4.1Å; V186-F189 HydrophobicContact CG1-CE2 3.61Å; P187-F189 HydrophobicContact CB-CE1 4.05Å; P187-F189 HydrophobicContact CB-CE2 4.25Å; P187-F189 HydrophobicContact CB-CZ 3.87Å; P187-F189 HydrophobicContact CG-CE1 4.4Å; P187-F189 HydrophobicContact CG-CE2 4.48Å; P187-F189 HydrophobicContact CG-CZ 3.93Å; P187-F189 WeakPolarHBondContact O-CD2 3.38Å; P187-F189 PolarHBondContact O-N 3.37Å; F189-S191 PolarHBondContact O-N 3.39Å; F189-S191 VanDerWaalsContact O-N 3.17Å
190A51.9Low70.4Confident44 Ų4455.8 Ų55.836%0.36432%0.32SS..G310 helixtrans-65-24.6-17000000112.2V188 E192 S193 L194V188-A190 PolarHBondContact O-N 2.98Å; A190-E192 VanDerWaalsContact C-N 3.28Å; A190-E192 PolarHBondContact O-N 3.25Å; A190-S193 PolarHBondContact O-N 3.2Å; A190-S193 VanDerWaalsContact O-N 3.13Å; A190-L194 HydrophobicContact CB-CD1 3.53Å; A190-L194 HydrophobicContact CB-CD2 3.94Å; A190-L194 HydrophobicContact CB-CG 3.55Å; A190-L194 VanDerWaalsContact O-CG 3.26Å; A190-L194 WeakPolarHBondContact O-CG 3.22Å; A190-L194 PolarHBondContact O-N 2.75Å
191S53.1Low70.1Confident64 Ų6455.8 Ų55.845%0.44832%0.32SS..G310 helixtrans-52.1-18.2-167.960.90000119.2F189F189-S191 PolarHBondContact O-N 3.39Å; F189-S191 VanDerWaalsContact O-N 3.17Å
192E54Low69.7Low70 Ų7052.4 Ų52.433%0.32731%0.307SS..G310 helixtrans-122.5-3177.6-84.8-151.1149.300115.7K130 A190K130-E192 WeakPolarHBondContact CE-OE1 3.31Å; K130-E192 IonicContact NZ-OE1 3.82Å; K130-E192 PolarHBondContact NZ-OE1 3.36Å; K130-E192 IonicContact NZ-OE2 2.78Å; A190-E192 VanDerWaalsContact C-N 3.28Å; A190-E192 PolarHBondContact O-N 3.25Å
193S50.9Low69.1Low76 Ų7652.8 Ų52.853%0.53131%0.311SS..THydrogen-bonded Turntrans-136.69.6178.764.20000114.2A190A190-S193 PolarHBondContact O-N 3.2Å; A190-S193 VanDerWaalsContact O-N 3.13Å
194L51Low68.6Low81 Ų8147.5 Ų47.542%0.42429%0.289SS..SBendtrans-54.6133.2165.4-84.2162.2000109.6A190 S196 V283A190-L194 HydrophobicContact CB-CD1 3.53Å; A190-L194 HydrophobicContact CB-CD2 3.94Å; A190-L194 HydrophobicContact CB-CG 3.55Å; A190-L194 VanDerWaalsContact O-CG 3.26Å; A190-L194 WeakPolarHBondContact O-CG 3.22Å; A190-L194 PolarHBondContact O-N 2.75Å; L194-S196 PolarHBondContact O-N 3.46Å; L194-V283 HydrophobicContact CD2-CG1 4Å
195P58.2Low68Low30 Ų3051.6 Ų51.620%0.19530%0.302CS..  trans-36.9124.5147.6-32.140.8000109.3V283 V287 L309P195-V283 HydrophobicContact CB-CG1 3.68Å; P195-V283 HydrophobicContact CG-CG1 4.3Å; P195-V283 VanDerWaalsContact O-CG1 3.22Å; P195-V283 WeakPolarHBondContact O-CG1 3.24Å; P195-V287 HydrophobicContact CB-CG2 3.56Å; P195-V287 HydrophobicContact CG-CG2 3.46Å; P195-V287 VanDerWaalsContact CG-CG2 3.46Å; P195-L309 HydrophobicContact CB-CD1 3.89Å; P195-L309 HydrophobicContact CB-CD2 3.51Å; P195-L309 HydrophobicContact CB-CG 4.1Å; P195-L309 HydrophobicContact CG-CD2 3.85Å
196S67.4Low67.7Low42 Ų4253.4 Ų53.429%0.29429%0.293SS..  trans-67151.4166.6-63.30000107.7L194 M198 L309 I310 G311L194-S196 PolarHBondContact O-N 3.46Å; S196-M198 PolarHBondContact O-N 2.85Å; S196-L309 VanDerWaalsContact O-CD1 3.31Å; S196-L309 WeakPolarHBondContact O-CD1 3.38Å; S196-I310 WeakPolarHBondContact CB-O 3.45Å; S196-I310 PolarHBondContact N-O 3.39Å; S196-I310 VanDerWaalsContact N-O 3.09Å; S196-I310 PolarHBondContact OG-O 3.14Å; S196-G311 WeakPolarHBondContact OG-CA 3.31Å
197R80.9Confident68Low129 Ų12951.4 Ų51.449%0.48728%0.28SS..SBendtrans-61.81.8172.8-55.1175.4179.8-175.9-6.8113.3E279 F280 E281 V283R197-E279 CarbonylContact O-C 3.53Å; R197-E279 WeakPolarHBondContact O-CA 3.29Å; R197-F280 HydrophobicContact CB-CB 4.49Å; R197-F280 VanDerWaalsContact CB-O 3.26Å; R197-F280 WeakPolarHBondContact CB-O 3.13Å; R197-F280 WeakPolarHBondContact CD-O 3.34Å; R197-F280 PolarHBondContact O-N 2.92Å; R197-E281 VanDerWaalsContact CD-O 3.25Å; R197-E281 WeakPolarHBondContact CD-O 3.06Å; R197-E281 PolarHBondContact NE-O 3.09Å; R197-E281 VanDerWaalsContact NE-O 3.1Å; R197-E281 PolarHBondContact NH1-O 3.05Å; R197-V283 HydrophobicContact CG-CB 4.49Å; R197-V283 HydrophobicContact CG-CG2 3.65Å
198M84.4Confident67.9Low30 Ų3052.6 Ų52.615%0.14829%0.287CS..EExtended strand (participates in β ladder)trans-105.1126.4-172.4-57.5173.67100111.1S196 L260 I277 V278 E279 I310S196-M198 PolarHBondContact O-N 2.85Å; M198-L260 HydrophobicContact CE-CD2 4.09Å; M198-I277 HydrophobicContact CB-CG2 4.36Å; M198-I277 HydrophobicContact CE-CG2 3.65Å; M198-V278 CarbonylContact C-O 3.57Å; M198-V278 WeakPolarHBondContact CA-O 3.36Å; M198-E279 HydrophobicContact CG-CB 4.16Å; M198-E279 HydrophobicContact CG-CG 3.9Å; M198-I310 HydrophobicContact CB-CB 4.07Å; M198-I310 HydrophobicContact CB-CD1 3.99Å; M198-I310 HydrophobicContact CE-CD1 4.44Å; M198-I310 VanDerWaalsContact O-CB 3.31Å; M198-I310 WeakPolarHBondContact O-CB 3.48Å; M198-I310 PolarHBondContact O-N 3.35Å
199L86.6Confident68.2Low0 Ų050.1 Ų50.10%027%0.267CS..EExtended strand (participates in β ladder)trans-102.2133.5168.5-61.2-171.2000110.4F238 I277 V278 F280 A286 A289 N290 V307 L309L199-F238 HydrophobicContact CD1-CD1 4.3Å; L199-F238 HydrophobicContact CD1-CE1 4.01Å; L199-I277 VanDerWaalsContact O-CA 3.25Å; L199-I277 WeakPolarHBondContact O-CA 3.29Å; L199-V278 PolarHBondContact N-O 2.98Å; L199-V278 PolarHBondContact O-N 3.45Å; L199-F280 HydrophobicContact CD1-CE2 3.76Å; L199-F280 HydrophobicContact CG-CE2 4.03Å; L199-A286 HydrophobicContact CD2-CB 4.35Å; L199-A286 WeakPolarHBondContact CD2-O 3.38Å; L199-A289 HydrophobicContact CD1-CB 3.69Å; L199-N290 HydrophobicContact CD2-CB 3.9Å; L199-V307 HydrophobicContact CB-CG1 4.37Å; L199-V307 HydrophobicContact CD1-CG1 3.98Å; L199-V307 HydrophobicContact CD2-CG1 4.49Å; L199-L309 HydrophobicContact CD2-CB 4.15Å; L199-L309 HydrophobicContact CD2-CD1 3.61Å
200L85.6Confident68.3Low0 Ų050 Ų500%027%0.267CS..EExtended strand (participates in β ladder)trans-87.9129.7163.3-179.456.9000108.9Y267 L270 C275 I277 V307 V308 I310L200-Y267 HydrophobicContact CD2-CD1 4.2Å; L200-Y267 HydrophobicContact CD2-CD2 4.46Å; L200-Y267 HydrophobicContact CD2-CG 3.96Å; L200-L270 HydrophobicContact CD1-CD2 3.56Å; L200-L270 HydrophobicContact CD1-CG 4.35Å; L200-L270 HydrophobicContact CD2-CD2 4.19Å; L200-L270 HydrophobicContact CD2-CG 4.07Å; L200-C275 HydrophobicContact CD1-CB 3.87Å; L200-I277 HydrophobicContact CD1-CG1 4.02Å; L200-V307 CarbonylContact O-C 3.53Å; L200-V307 WeakPolarHBondContact O-CA 3.5Å; L200-V308 HydrophobicContact CB-CB 4.4Å; L200-V308 WeakPolarHBondContact CB-O 3.23Å; L200-V308 PolarHBondContact N-O 3.49Å; L200-V308 PolarHBondContact O-N 2.95Å; L200-I310 HydrophobicContact CB-CD1 3.91Å; L200-I310 HydrophobicContact CB-CG1 3.85Å
201L85.6Confident68.7Low0 Ų050.1 Ų50.10%027%0.268CS..EExtended strand (participates in β ladder)trans-113.5117.6172.3-52.2177.2000107.4L204 L234 F238 C275 A276 V278 L305 V307L201-L204 HydrophobicContact CB-CD2 4.24Å; L201-L234 HydrophobicContact CD1-CD1 4.45Å; L201-L234 HydrophobicContact CD1-CD2 3.24Å; L201-L234 HydrophobicContact CD1-CG 4.48Å; L201-F238 HydrophobicContact CD1-CD2 4.27Å; L201-F238 HydrophobicContact CD1-CE2 3.5Å; L201-F238 VanDerWaalsContact CD1-CE2 3.5Å; L201-F238 HydrophobicContact CD1-CZ 3.83Å; L201-F238 HydrophobicContact CD2-CE1 4.23Å; L201-F238 HydrophobicContact CD2-CE2 4.08Å; L201-F238 HydrophobicContact CD2-CZ 3.5Å; L201-F238 VanDerWaalsContact CD2-CZ 3.5Å; L201-F238 HydrophobicContact CG-CE2 4.47Å; L201-F238 HydrophobicContact CG-CZ 4.34Å; L201-C275 CarbonylContact O-C 3.57Å; L201-C275 WeakPolarHBondContact O-CA 3.2Å; L201-C275 WeakPolarHBondContact O-CB 3.38Å; L201-A276 HydrophobicContact CB-CB 4.26Å; L201-A276 HydrophobicContact CD1-CB 4.26Å; L201-A276 PolarHBondContact N-O 3.12Å; L201-A276 PolarHBondContact O-N 2.82Å; L201-V278 HydrophobicContact CD1-CG2 3.71Å; L201-L305 HydrophobicContact CB-CD1 4.36Å; L201-L305 HydrophobicContact CD1-CD1 4.45Å; L201-L305 HydrophobicContact CD2-CD1 4.32Å; L201-V307 HydrophobicContact CD2-CB 4.09Å; L201-V307 HydrophobicContact CD2-CG1 3.81Å; L201-V307 HydrophobicContact CD2-CG2 3.54Å
202S80.7Confident69.1Low0 Ų049.8 Ų49.80%027%0.27CS..EExtended strand (participates in β ladder)trans-111.3165.8171.9-62.70000110C275 K306S202-C275 PolarHBondContact OG-SG 2.92Å; S202-K306 PolarHBondContact N-O 3.01Å; S202-K306 PolarHBondContact O-N 3.4Å; S202-K306 VanDerWaalsContact O-N 3.17Å
203D75.9Confident69.3Low38 Ų3850.3 Ų50.320%0.20327%0.274CS..  trans65.534.7-179.1-63.3-75.4000114.8Q205 K206D203-Q205 PolarHBondContact O-N 2.73Å; D203-K206 HydrophobicContact CB-CB 4.43Å; D203-K206 HydrophobicContact CB-CD 3.99Å; D203-K206 HydrophobicContact CB-CG 4.29Å; D203-K206 WeakPolarHBondContact O-CB 3.32Å; D203-K206 PolarHBondContact O-N 3.46Å; D203-K206 WeakPolarHBondContact OD1-CE 3.3Å; D203-K206 IonicContact OD1-NZ 2.66Å; D203-K206 PolarHBondContact OD1-NZ 3.17Å
204L74.3Confident69.5Low3 Ų350 Ų502%0.01627%0.269CS..G310 helixtrans-51.7-32.9-179.8-66.8173.5000114.3L201 K206 W207 L230 E274 A276 L305L201-L204 HydrophobicContact CB-CD2 4.24Å; L204-K206 PolarHBondContact O-N 2.71Å; L204-W207 WeakPolarHBondContact O-CB 3.12Å; L204-W207 PolarHBondContact O-N 2.91Å; L204-L230 HydrophobicContact CB-CD1 4.08Å; L204-L230 HydrophobicContact CD1-CD1 3.92Å; L204-L230 HydrophobicContact CD1-CD2 4.29Å; L204-L230 HydrophobicContact CD2-CD1 4.28Å; L204-L230 HydrophobicContact CG-CD1 4.32Å; L204-E274 HydrophobicContact CD1-CB 4.4Å; L204-A276 HydrophobicContact CD1-CB 3.89Å; L204-A276 HydrophobicContact CD2-CB 4.08Å; L204-L305 HydrophobicContact CD2-CD2 4.15Å
205Q65.1Low69.7Low136 Ų13654.7 Ų54.764%0.63629%0.286SS*.G310 helixtrans-67.6-18.1178.1-63171.2-5.800113.8D203 E274D203-Q205 PolarHBondContact O-N 2.73Å; Q205-E274 VanDerWaalsContact CG-OE2 3.26Å; Q205-E274 WeakPolarHBondContact CG-OE2 3.37Å; Q205-E274 PolarHBondContact NE2-OE2 2.96Å
206K66Low69.4Low132 Ų13260.9 Ų60.957%0.57432%0.318SS*.G310 helixtrans-90.3-1.3178-60.3-178-172.4148.90112.8D203 L204 P208D203-K206 HydrophobicContact CB-CB 4.43Å; D203-K206 HydrophobicContact CB-CD 3.99Å; D203-K206 HydrophobicContact CB-CG 4.29Å; D203-K206 WeakPolarHBondContact O-CB 3.32Å; D203-K206 PolarHBondContact O-N 3.46Å; D203-K206 WeakPolarHBondContact OD1-CE 3.3Å; D203-K206 IonicContact OD1-NZ 2.66Å; D203-K206 PolarHBondContact OD1-NZ 3.17Å; L204-K206 PolarHBondContact O-N 2.71Å; K206-P208 WeakPolarHBondContact O-CD 3.44Å
207W72.3Confident68.6Low4 Ų462.9 Ų62.92%0.01533%0.325CS..  trans-70.9116.1176.4-164.5-35.4000110.1L204 E209 L210 A211 L233 L234 A237 F238 L303 L305L204-W207 WeakPolarHBondContact O-CB 3.12Å; L204-W207 PolarHBondContact O-N 2.91Å; W207-E209 PolarHBondContact NE1-OE2 2.69Å; W207-E209 PolarHBondContact O-N 3.27Å; W207-L210 HydrophobicContact CB-CB 4.11Å; W207-L210 WeakPolarHBondContact O-CB 3.38Å; W207-L210 PolarHBondContact O-N 2.87Å; W207-L210 VanDerWaalsContact O-N 3.15Å; W207-A211 PolarHBondContact O-N 2.73Å; W207-L233 HydrophobicContact CD2-CD2 3.79Å; W207-L233 HydrophobicContact CE3-CD2 4.22Å; W207-L233 HydrophobicContact CG-CD2 4.15Å; W207-L233 HydrophobicContact CH2-CD2 4.5Å; W207-L233 HydrophobicContact CH2-CG 4.22Å; W207-L233 HydrophobicContact CZ2-CD1 4.33Å; W207-L233 HydrophobicContact CZ2-CD2 4.03Å; W207-L233 HydrophobicContact CZ2-CG 3.85Å; W207-L234 HydrophobicContact CH2-CD2 4.37Å; W207-L234 HydrophobicContact CZ3-CD2 3.79Å; W207-A237 HydrophobicContact CH2-CB 3.65Å; W207-A237 HydrophobicContact CZ2-CB 3.87Å; W207-F238 HydrophobicContact CH2-CE2 4.26Å; W207-F238 HydrophobicContact CZ3-CE2 4.39Å; W207-L303 HydrophobicContact CH2-CD1 3.91Å; W207-L303 HydrophobicContact CZ2-CB 4.35Å; W207-L303 HydrophobicContact CZ2-CD1 3.7Å; W207-L303 HydrophobicContact CZ2-CD2 4.31Å; W207-L303 HydrophobicContact CZ2-CG 4.34Å; W207-L305 HydrophobicContact CB-CD2 4.23Å; W207-L305 HydrophobicContact CD2-CD1 4.31Å; W207-L305 HydrophobicContact CD2-CD2 4.48Å; W207-L305 HydrophobicContact CD2-CG 4.25Å; W207-L305 HydrophobicContact CE3-CD1 3.36Å; W207-L305 HydrophobicContact CE3-CD2 3.87Å; W207-L305 HydrophobicContact CE3-CG 3.68Å; W207-L305 HydrophobicContact CH2-CD1 4.22Å; W207-L305 HydrophobicContact CZ3-CD1 3.29Å; W207-L305 HydrophobicContact CZ3-CG 4.11Å
208P62.6Low67.1Low80 Ų8060.7 Ų60.752%0.51934%0.343SS..Hα-helixtrans-64.7-36.3-174.424-33.4000114.4K206 L210 A211 A212K206-P208 WeakPolarHBondContact O-CD 3.44Å; P208-L210 VanDerWaalsContact C-N 3.33Å; P208-L210 PolarHBondContact O-N 3.06Å; P208-A211 CarbonylContact O-C 3.6Å; P208-A211 PolarHBondContact O-N 3.12Å; P208-A212 PolarHBondContact O-N 2.98Å
209E64.7Low65.2Low79 Ų7962.9 Ų62.937%0.36936%0.361SS..Hα-helixtrans-62.9-34.7173.2-64.8174.6108.800113W207 A212 L213 L233W207-E209 PolarHBondContact NE1-OE2 2.69Å; W207-E209 PolarHBondContact O-N 3.27Å; E209-A212 PolarHBondContact O-N 3.28Å; E209-L213 PolarHBondContact O-N 2.96Å; E209-L233 HydrophobicContact CB-CD1 4.13Å; E209-L233 HydrophobicContact CB-CD2 4.16Å
210L64.1Low63.5Low12 Ų1271.2 Ų71.26%0.06341%0.406CS..Hα-helixtrans-65.5-42.6173.8-164.287.2000110.5W207 P208 A212 L213 T214 L230 L233W207-L210 HydrophobicContact CB-CB 4.11Å; W207-L210 WeakPolarHBondContact O-CB 3.38Å; W207-L210 PolarHBondContact O-N 2.87Å; W207-L210 VanDerWaalsContact O-N 3.15Å; P208-L210 VanDerWaalsContact C-N 3.33Å; P208-L210 PolarHBondContact O-N 3.06Å; L210-A212 VanDerWaalsContact C-N 3.27Å; L210-A212 PolarHBondContact O-N 2.98Å; L210-L213 PolarHBondContact O-N 3.48Å; L210-T214 PolarHBondContact O-N 3.48Å; L210-T214 VanDerWaalsContact O-N 3.09Å; L210-T214 PolarHBondContact O-OG1 2.77Å; L210-L230 HydrophobicContact CD1-CB 3.97Å; L210-L230 HydrophobicContact CD1-CD1 3.97Å; L210-L230 HydrophobicContact CD1-CG 4.22Å; L210-L230 HydrophobicContact CD2-CD1 4.23Å; L210-L233 HydrophobicContact CB-CD2 4.43Å; L210-L233 HydrophobicContact CD1-CD2 4.42Å
211A59.7Low61.8Low46 Ų4679.1 Ų79.138%0.3844%0.442SS..Hα-helixtrans-68.4-22.4176.300000113.8W207 P208 T214 K215W207-A211 PolarHBondContact O-N 2.73Å; P208-A211 CarbonylContact O-C 3.6Å; P208-A211 PolarHBondContact O-N 3.12Å; A211-T214 WeakPolarHBondContact CA-OG1 3.46Å; A211-T214 PolarHBondContact O-OG1 3.35Å; A211-K215 WeakPolarHBondContact O-CG 3.31Å
212A61.1Low59.9Low58 Ų5881.4 Ų81.448%0.47947%0.466SS..Hα-helixtrans-75.9-48.2170.700000111.1P208 E209 L210 T214 K215P208-A212 PolarHBondContact O-N 2.98Å; E209-A212 PolarHBondContact O-N 3.28Å; L210-A212 VanDerWaalsContact C-N 3.27Å; L210-A212 PolarHBondContact O-N 2.98Å; A212-T214 VanDerWaalsContact C-N 3.3Å; A212-T214 PolarHBondContact O-N 2.84Å; A212-K215 PolarHBondContact O-N 3.44Å; A212-K215 VanDerWaalsContact O-N 3.1Å
213L57.6Low58.7Low80 Ų8083.5 Ų83.542%0.41949%0.488SS..Hα-helixtrans-61.6-33.5178.5-102.8121.6000113.6E209 L210 K215 Q229E209-L213 PolarHBondContact O-N 2.96Å; L210-L213 PolarHBondContact O-N 3.48Å; L213-K215 VanDerWaalsContact C-N 3.27Å; L213-K215 PolarHBondContact O-N 3.19Å; L213-Q229 HydrophobicContact CD2-CB 4.4Å; L213-Q229 HydrophobicContact CD2-CG 3.96Å
214T56.5Low57.8Low70 Ų7084.3 Ų84.343%0.42950%0.5SS..Hα-helixtrans-75-11.2176.7510000114.3L210 A211 A212L210-T214 PolarHBondContact O-N 3.48Å; L210-T214 VanDerWaalsContact O-N 3.09Å; L210-T214 PolarHBondContact O-OG1 2.77Å; A211-T214 WeakPolarHBondContact CA-OG1 3.46Å; A211-T214 PolarHBondContact O-OG1 3.35Å; A212-T214 VanDerWaalsContact C-N 3.3Å; A212-T214 PolarHBondContact O-N 2.84Å
215K55Low57.6Low179 Ų17987 Ų8778%0.77852%0.517SS*.Hα-helixtrans-86.9-32.4177.5-79.3-179.4176.9-178.20114.1A211 A212 L213A211-K215 WeakPolarHBondContact O-CG 3.31Å; A212-K215 PolarHBondContact O-N 3.44Å; A212-K215 VanDerWaalsContact O-N 3.1Å; L213-K215 VanDerWaalsContact C-N 3.27Å; L213-K215 PolarHBondContact O-N 3.19Å
216D51.4Low57.9Low161 Ų16184 Ų8486%0.86150%0.503SS*.Hα-helixtrans-76.9-32.8177.4-99.8-11.1000112.3G218D216-G218 PolarHBondContact O-N 2.97Å; D216-G218 VanDerWaalsContact O-N 3.16Å
217N50.7Low58.4Low83 Ų8381.7 Ų81.744%0.44449%0.494SS..  trans-94.465.3-174.2-152.279.7000112.1S219N217-S219 PolarHBondContact ND2-OG 2.97Å; N217-S219 PolarHBondContact O-N 3.03Å
218G49.3Very low58.8Low84 Ų8486.1 Ų86.187%0.86651%0.514SS*.  trans-69.539.8-176.500000116.5D216D216-G218 PolarHBondContact O-N 2.97Å; D216-G218 VanDerWaalsContact O-N 3.16Å
219S44.9Very low59.6Low76 Ų7684.3 Ų84.353%0.53150%0.499SS..  trans-123.6125.1176.554.90000111.5N217 E221N217-S219 PolarHBondContact ND2-OG 2.97Å; N217-S219 PolarHBondContact O-N 3.03Å; S219-E221 PolarHBondContact O-N 3.15Å
220N50.2Low60.3Low175 Ų17581.1 Ų81.194%0.93648%0.484SS*.  trans-80.346.4-169.5-170.637.3000113.3
221E49.8Very low61.3Low165 Ų16584.6 Ų84.677%0.77150%0.501SS*.  trans-123.3124.4-177.5-71.5-137.5114.100114S219S219-E221 PolarHBondContact O-N 3.15Å
222G46Very low62.5Low49 Ų4989 Ų8951%0.50551%0.512SS..  trans77.498.816000000115.7A224 T225G222-A224 PolarHBondContact O-N 2.84Å; G222-T225 PolarHBondContact O-N 2.89Å; G222-T225 PolarHBondContact O-OG1 2.65Å
223G56.4Low63.6Low43 Ų4386.9 Ų86.944%0.44349%0.493SS..THydrogen-bonded Turntrans-63.515.616500000115.6K251G223-K251 PolarHBondContact O-NZ 3.17Å
224A56.6Low65Low55 Ų5583.1 Ų83.146%0.45547%0.473SS..THydrogen-bonded Turntrans-88.7-42.2164.900000111.4G222 Q226 Q227 E228G222-A224 PolarHBondContact O-N 2.84Å; A224-Q226 PolarHBondContact O-N 2.87Å; A224-Q227 CarbonylContact O-C 3.52Å; A224-Q227 WeakPolarHBondContact O-CA 3.42Å; A224-Q227 WeakPolarHBondContact O-CB 3.49Å; A224-Q227 PolarHBondContact O-N 3.33Å; A224-E228 WeakPolarHBondContact O-CG 3.41Å; A224-E228 PolarHBondContact O-N 3.47Å
225T68.6Low66.5Low61 Ų6184 Ų8437%0.37447%0.474SS..Hα-helixtrans-61.7-45.2-179.459.60000111.2G222 Q227 E228 Q229G222-T225 PolarHBondContact O-N 2.89Å; G222-T225 PolarHBondContact O-OG1 2.65Å; T225-Q227 VanDerWaalsContact C-N 3.28Å; T225-Q227 PolarHBondContact O-N 2.96Å; T225-E228 PolarHBondContact O-N 2.84Å; T225-Q229 WeakPolarHBondContact O-CB 3.33Å; T225-Q229 VanDerWaalsContact O-CG 3.25Å; T225-Q229 WeakPolarHBondContact O-CG 3.14Å; T225-Q229 PolarHBondContact O-N 3.39Å
226Q73.3Confident68.1Low73 Ų7382.8 Ų82.834%0.34147%0.469SS..Hα-helixtrans-58.6-37.7172.7-169.4-169.210.200112.3A224 L230A224-Q226 PolarHBondContact O-N 2.87Å; Q226-L230 VanDerWaalsContact O-CB 3.24Å; Q226-L230 WeakPolarHBondContact O-CB 3.02Å; Q226-L230 PolarHBondContact O-N 3.22Å
227Q76.1Confident69.7Low83 Ų8376.1 Ų76.139%0.38844%0.436SS..Hα-helixtrans-73.3-37.5179.3-173.4176.2-46.400111.6A224 T225 M231 V249A224-Q227 CarbonylContact O-C 3.52Å; A224-Q227 WeakPolarHBondContact O-CA 3.42Å; A224-Q227 WeakPolarHBondContact O-CB 3.49Å; A224-Q227 PolarHBondContact O-N 3.33Å; T225-Q227 VanDerWaalsContact C-N 3.28Å; T225-Q227 PolarHBondContact O-N 2.96Å; Q227-M231 VanDerWaalsContact O-CB 3.31Å; Q227-M231 WeakPolarHBondContact O-CB 3.46Å; Q227-M231 PolarHBondContact O-N 3.04Å; Q227-V249 HydrophobicContact CG-CB 4.12Å; Q227-V249 HydrophobicContact CG-CG1 4.34Å; Q227-V249 HydrophobicContact CG-CG2 4.12Å
228E79.6Confident71.5Confident96 Ų9672.2 Ų72.245%0.44942%0.415SS..Hα-helixtrans-68.4-42.1173.7-72.6174.5-157.300112.5A224 T225 M231 K232A224-E228 WeakPolarHBondContact O-CG 3.41Å; A224-E228 PolarHBondContact O-N 3.47Å; T225-E228 PolarHBondContact O-N 2.84Å; E228-M231 PolarHBondContact O-N 3.38Å; E228-K232 WeakPolarHBondContact O-CB 3.43Å; E228-K232 VanDerWaalsContact O-CG 3.31Å; E228-K232 WeakPolarHBondContact O-CG 3.49Å; E228-K232 PolarHBondContact O-N 2.81Å
229Q79.8Confident73.3Confident42 Ų4270.2 Ų70.220%0.19640%0.395CS..Hα-helixtrans-60.2-46.4173.4-74169.7-15.500110.6L213 T225 K232 L233L213-Q229 HydrophobicContact CD2-CB 4.4Å; L213-Q229 HydrophobicContact CD2-CG 3.96Å; T225-Q229 WeakPolarHBondContact O-CB 3.33Å; T225-Q229 VanDerWaalsContact O-CG 3.25Å; T225-Q229 WeakPolarHBondContact O-CG 3.14Å; T225-Q229 PolarHBondContact O-N 3.39Å; Q229-K232 PolarHBondContact O-N 2.85Å; Q229-L233 WeakPolarHBondContact O-CB 3.44Å; Q229-L233 PolarHBondContact O-N 2.82Å
230L80.8Confident75.4Confident12 Ų1271.3 Ų71.36%0.06340%0.399CS..Hα-helixtrans-63.3-41.4176-170.3142.4000111.7L204 L210 Q226 L233 L234 V249 A276L204-L230 HydrophobicContact CB-CD1 4.08Å; L204-L230 HydrophobicContact CD1-CD1 3.92Å; L204-L230 HydrophobicContact CD1-CD2 4.29Å; L204-L230 HydrophobicContact CD2-CD1 4.28Å; L204-L230 HydrophobicContact CG-CD1 4.32Å; L210-L230 HydrophobicContact CD1-CB 3.97Å; L210-L230 HydrophobicContact CD1-CD1 3.97Å; L210-L230 HydrophobicContact CD1-CG 4.22Å; L210-L230 HydrophobicContact CD2-CD1 4.23Å; Q226-L230 VanDerWaalsContact O-CB 3.24Å; Q226-L230 WeakPolarHBondContact O-CB 3.02Å; Q226-L230 PolarHBondContact O-N 3.22Å; L230-L233 PolarHBondContact O-N 2.81Å; L230-L234 HydrophobicContact CD2-CD1 3.57Å; L230-L234 HydrophobicContact CD2-CG 4.1Å; L230-L234 WeakPolarHBondContact O-CB 3.4Å; L230-L234 VanDerWaalsContact O-CG 3.27Å; L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 3.49Å; L230-V249 HydrophobicContact CD2-CG1 4.21Å; L230-V249 HydrophobicContact CD2-CG2 3.65Å; L230-A276 HydrophobicContact CD2-CB 4.45Å
231M83.9Confident77.2Confident85 Ų8565.9 Ų65.942%0.41937%0.366SS..Hα-helixtrans-61.6-48174.2-175.6175.671.300111.6Q227 E228 L233 L234 L235Q227-M231 VanDerWaalsContact O-CB 3.31Å; Q227-M231 WeakPolarHBondContact O-CB 3.46Å; Q227-M231 PolarHBondContact O-N 3.04Å; E228-M231 PolarHBondContact O-N 3.38Å; M231-L233 VanDerWaalsContact C-N 3.31Å; M231-L233 PolarHBondContact O-N 2.85Å; M231-L234 PolarHBondContact O-N 2.99Å; M231-L235 HydrophobicContact CG-CD1 3.75Å; M231-L235 WeakPolarHBondContact O-CD1 3.2Å; M231-L235 PolarHBondContact O-N 3.21Å
232K84.4Confident79.1Confident139 Ų13959 Ų5960%0.60434%0.339SS*.Hα-helixtrans-58-42.3175.5-74.8166.7179.6167.40111.8E228 Q229 L235 K236E228-K232 WeakPolarHBondContact O-CB 3.43Å; E228-K232 VanDerWaalsContact O-CG 3.31Å; E228-K232 WeakPolarHBondContact O-CG 3.49Å; E228-K232 PolarHBondContact O-N 2.81Å; Q229-K232 PolarHBondContact O-N 2.85Å; K232-L235 PolarHBondContact O-N 2.88Å; K232-K236 WeakPolarHBondContact O-CB 3.27Å; K232-K236 PolarHBondContact O-N 3.49Å
233L84.8Confident81.2Confident14 Ų1459.1 Ų59.17%0.07334%0.335CS..Hα-helixtrans-65.4-42.3177-171.164.7000111.8W207 E209 L210 Q229 L230 M231 K236 A237W207-L233 HydrophobicContact CD2-CD2 3.79Å; W207-L233 HydrophobicContact CE3-CD2 4.22Å; W207-L233 HydrophobicContact CG-CD2 4.15Å; W207-L233 HydrophobicContact CH2-CD2 4.5Å; W207-L233 HydrophobicContact CH2-CG 4.22Å; W207-L233 HydrophobicContact CZ2-CD1 4.33Å; W207-L233 HydrophobicContact CZ2-CD2 4.03Å; W207-L233 HydrophobicContact CZ2-CG 3.85Å; E209-L233 HydrophobicContact CB-CD1 4.13Å; E209-L233 HydrophobicContact CB-CD2 4.16Å; L210-L233 HydrophobicContact CB-CD2 4.43Å; L210-L233 HydrophobicContact CD1-CD2 4.42Å; Q229-L233 WeakPolarHBondContact O-CB 3.44Å; Q229-L233 PolarHBondContact O-N 2.82Å; L230-L233 PolarHBondContact O-N 2.81Å; M231-L233 VanDerWaalsContact C-N 3.31Å; M231-L233 PolarHBondContact O-N 2.85Å; L233-K236 PolarHBondContact O-N 2.97Å; L233-A237 WeakPolarHBondContact O-CB 3.26Å; L233-A237 PolarHBondContact O-N 2.87Å
234L86.3Confident82.8Confident0 Ų059.2 Ų59.20%033%0.325CS..Hα-helixtrans-61.5-46.7174.2-72.7178.4000112L201 W207 L230 M231 K236 A237 F238 V247 A276 V278L201-L234 HydrophobicContact CD1-CD1 4.45Å; L201-L234 HydrophobicContact CD1-CD2 3.24Å; L201-L234 HydrophobicContact CD1-CG 4.48Å; W207-L234 HydrophobicContact CH2-CD2 4.37Å; W207-L234 HydrophobicContact CZ3-CD2 3.79Å; L230-L234 HydrophobicContact CD2-CD1 3.57Å; L230-L234 HydrophobicContact CD2-CG 4.1Å; L230-L234 WeakPolarHBondContact O-CB 3.4Å; L230-L234 VanDerWaalsContact O-CG 3.27Å; L230-L234 WeakPolarHBondContact O-CG 3.48Å; L230-L234 PolarHBondContact O-N 3.49Å; M231-L234 PolarHBondContact O-N 2.99Å; L234-K236 VanDerWaalsContact C-N 3.33Å; L234-K236 PolarHBondContact O-N 2.91Å; L234-A237 PolarHBondContact O-N 3.35Å; L234-F238 HydrophobicContact CD2-CD2 3.82Å; L234-F238 HydrophobicContact CD2-CE2 3.67Å; L234-F238 VanDerWaalsContact O-CB 3.3Å; L234-F238 WeakPolarHBondContact O-CB 3.43Å; L234-F238 WeakPolarHBondContact O-CD2 3.41Å; L234-F238 PolarHBondContact O-N 2.89Å; L234-V247 HydrophobicContact CB-CG1 4.33Å; L234-V247 HydrophobicContact CD1-CG1 3.58Å; L234-A276 HydrophobicContact CD1-CB 3.63Å; L234-V278 HydrophobicContact CD1-CG2 4.3Å; L234-V278 HydrophobicContact CD2-CG2 4.29Å
235L88.2Confident84.4Confident88 Ų8859.8 Ų59.846%0.46133%0.33SS..Hα-helixtrans-62-41.2176.1-86.382.7000111.5M231 K232 G239 I244 V247M231-L235 HydrophobicContact CG-CD1 3.75Å; M231-L235 WeakPolarHBondContact O-CD1 3.2Å; M231-L235 PolarHBondContact O-N 3.21Å; K232-L235 PolarHBondContact O-N 2.88Å; L235-G239 VanDerWaalsContact O-CA 3.3Å; L235-G239 WeakPolarHBondContact O-CA 3.3Å; L235-G239 PolarHBondContact O-N 2.61Å; L235-I244 HydrophobicContact CG-CD1 4.32Å; L235-V247 HydrophobicContact CD1-CG2 3.83Å
236K88.3Confident85.2Confident154 Ų15458.4 Ų58.467%0.6732%0.323SS*.Hα-helixtrans-64.5-47.1178.3-174.7-177177.8-169.20112.5K232 L233 L234K232-K236 WeakPolarHBondContact O-CB 3.27Å; K232-K236 PolarHBondContact O-N 3.49Å; L233-K236 PolarHBondContact O-N 2.97Å; L234-K236 VanDerWaalsContact C-N 3.33Å; L234-K236 PolarHBondContact O-N 2.91Å
237A85.5Confident86Confident21 Ų2156.6 Ų56.617%0.17432%0.316CS..Hα-helixtrans-71.7-50.9-178.700000111.5W207 L233 L234 T240 Y241 L303W207-A237 HydrophobicContact CH2-CB 3.65Å; W207-A237 HydrophobicContact CZ2-CB 3.87Å; L233-A237 WeakPolarHBondContact O-CB 3.26Å; L233-A237 PolarHBondContact O-N 2.87Å; L234-A237 PolarHBondContact O-N 3.35Å; A237-T240 PolarHBondContact O-OG1 2.96Å; A237-Y241 WeakPolarHBondContact O-CE2 3.48Å; A237-L303 HydrophobicContact CB-CD1 4.4Å
238F88.2Confident86.4Confident1 Ų156.6 Ų56.60%0.00431%0.313CS..Hα-helixtrans-81.3-24.6-173.1-71.8-78.6000114L199 L201 W207 L234 T240 Y241 I244 V278 F280 A289 V293L199-F238 HydrophobicContact CD1-CD1 4.3Å; L199-F238 HydrophobicContact CD1-CE1 4.01Å; L201-F238 HydrophobicContact CD1-CD2 4.27Å; L201-F238 HydrophobicContact CD1-CE2 3.5Å; L201-F238 VanDerWaalsContact CD1-CE2 3.5Å; L201-F238 HydrophobicContact CD1-CZ 3.83Å; L201-F238 HydrophobicContact CD2-CE1 4.23Å; L201-F238 HydrophobicContact CD2-CE2 4.08Å; L201-F238 HydrophobicContact CD2-CZ 3.5Å; L201-F238 VanDerWaalsContact CD2-CZ 3.5Å; L201-F238 HydrophobicContact CG-CE2 4.47Å; L201-F238 HydrophobicContact CG-CZ 4.34Å; W207-F238 HydrophobicContact CH2-CE2 4.26Å; W207-F238 HydrophobicContact CZ3-CE2 4.39Å; L234-F238 HydrophobicContact CD2-CD2 3.82Å; L234-F238 HydrophobicContact CD2-CE2 3.67Å; L234-F238 VanDerWaalsContact O-CB 3.3Å; L234-F238 WeakPolarHBondContact O-CB 3.43Å; L234-F238 WeakPolarHBondContact O-CD2 3.41Å; L234-F238 PolarHBondContact O-N 2.89Å; F238-T240 PolarHBondContact O-N 3.23Å; F238-Y241 HydrophobicContact CD1-CD2 4.31Å; F238-Y241 PolarHBondContact O-N 3.02Å; F238-I244 HydrophobicContact CB-CD1 3.88Å; F238-V278 HydrophobicContact CB-CG1 4.2Å; F238-V278 HydrophobicContact CD2-CG2 4.23Å; F238-V278 HydrophobicContact CG-CG1 4.41Å; F238-V278 HydrophobicContact CG-CG2 4.49Å; F238-F280 HydrophobicContact CB-CE1 4.46Å; F238-F280 HydrophobicContact CB-CZ 3.92Å; F238-F280 AromaticContact CD1-CZ 3.99Å; F238-F280 HydrophobicContact CD1-CZ 3.99Å; F238-F280 HydrophobicContact CG-CZ 4.37Å; F238-A289 HydrophobicContact CD1-CB 3.92Å; F238-A289 HydrophobicContact CE1-CB 4.2Å; F238-V293 HydrophobicContact CE1-CG2 4.13Å; F238-V293 HydrophobicContact CZ-CG1 4.38Å; F238-V293 HydrophobicContact CZ-CG2 4.45Å
239G86.9Confident86.6Confident43 Ų4353.8 Ų53.844%0.44330%0.302SS..THydrogen-bonded Turntrans-65.7-16.1176.800000114.2L235 Y241L235-G239 VanDerWaalsContact O-CA 3.3Å; L235-G239 WeakPolarHBondContact O-CA 3.3Å; L235-G239 PolarHBondContact O-N 2.61Å; G239-Y241 VanDerWaalsContact C-N 3.27Å; G239-Y241 PolarHBondContact O-N 3.09Å
240T89.3Confident86.6Confident98 Ų9852.7 Ų52.760%0.60130%0.298SS*.THydrogen-bonded Turntrans-71.8-19.6171.8640000113.5A237 F238A237-T240 PolarHBondContact O-OG1 2.96Å; F238-T240 PolarHBondContact O-N 3.23Å
241Y88.3Confident86.5Confident62 Ų6255 Ų5524%0.24331%0.307CS..THydrogen-bonded Turntrans-97.8-22.1-178.1-54.8-69.8000113.4A237 F238 G239 K288 A289 A292 V293A237-Y241 WeakPolarHBondContact O-CE2 3.48Å; F238-Y241 HydrophobicContact CD1-CD2 4.31Å; F238-Y241 PolarHBondContact O-N 3.02Å; G239-Y241 VanDerWaalsContact C-N 3.27Å; G239-Y241 PolarHBondContact O-N 3.09Å; Y241-K288 HydrophobicContact CD1-CG 4.22Å; Y241-A289 HydrophobicContact CD2-CB 3.72Å; Y241-A289 HydrophobicContact CG-CB 3.8Å; Y241-A292 HydrophobicContact CD1-CB 4.17Å; Y241-A292 HydrophobicContact CE1-CB 3.34Å; Y241-V293 HydrophobicContact CE2-CG2 3.9Å
242G89.1Confident86.1Confident21 Ų2153.7 Ų53.722%0.21631%0.305CS..SBendtrans163.7-179.8172.700000113.6I244G242-I244 PolarHBondContact O-N 2.78Å
243A90.1Very high85.1Confident51 Ų5150.7 Ų50.742%0.42131%0.314SS..  trans-66.2130.3-179.200000112.1F280 E281A243-F280 WeakPolarHBondContact O-CA 3.18Å; A243-F280 WeakPolarHBondContact O-CD1 3.32Å; A243-E281 HydrophobicContact CB-CB 4.09Å; A243-E281 PolarHBondContact O-N 3.42Å
244I91.8Very high84.4Confident44 Ų4457 Ų5723%0.22634%0.34CS..EExtended strand (participates in β ladder)trans-98120-178.9-58.4170.5000109.1L235 F238 G242 V247 V278 E279 F280L235-I244 HydrophobicContact CG-CD1 4.32Å; F238-I244 HydrophobicContact CB-CD1 3.88Å; G242-I244 PolarHBondContact O-N 2.78Å; I244-V247 HydrophobicContact CG2-CG2 3.6Å; I244-V278 HydrophobicContact CD1-CG1 4.29Å; I244-V278 HydrophobicContact CG1-CG1 4.23Å; I244-V278 HydrophobicContact CG2-CG1 3.91Å; I244-E279 CarbonylContact C-O 3.59Å; I244-E279 WeakPolarHBondContact CG2-O 3.49Å; I244-F280 HydrophobicContact CG1-CD1 4.26Å; I244-F280 HydrophobicContact CG1-CE1 4.03Å
245A89.7Confident83.1Confident67 Ų6763.6 Ų63.655%0.55438%0.376SS*.EExtended strand (participates in β ladder)trans-83.2-38.9177.200000113.1E279A245-E279 WeakPolarHBondContact CA-O 3.2Å; A245-E279 HydrophobicContact CB-CG 4.46Å; A245-E279 PolarHBondContact N-O 2.78Å
246S86.1Confident82.2Confident33 Ų3360.8 Ų60.823%0.23136%0.361CS..EExtended strand (participates in β ladder)trans-152.3149.2173.488.90000113.7R248 E279S246-R248 PolarHBondContact OG-NE 2.96Å; S246-E279 PolarHBondContact N-O 3Å; S246-E279 PolarHBondContact O-N 3.06Å; S246-E279 WeakPolarHBondContact OG-CB 3.5Å; S246-E279 PolarHBondContact OG-OE2 3.25Å
247V88.3Confident81.2Confident34 Ų3456.5 Ų56.521%0.20635%0.349CS..EExtended strand (participates in β ladder)trans-125.3128.4170.8-177.40000109.1L234 L235 I244 I277 V278L234-V247 HydrophobicContact CB-CG1 4.33Å; L234-V247 HydrophobicContact CD1-CG1 3.58Å; L235-V247 HydrophobicContact CD1-CG2 3.83Å; I244-V247 HydrophobicContact CG2-CG2 3.6Å; V247-I277 WeakPolarHBondContact CA-O 3.3Å; V247-V278 HydrophobicContact CG1-CG2 4.49Å; V247-V278 HydrophobicContact CG2-CG2 4.49Å
248R85.3Confident80Confident83 Ų8359.1 Ų59.131%0.31337%0.37SS..EExtended strand (participates in β ladder)trans-131117.8-176.6-72.3178.4-87.2-169.7-5.2110.4S246 L250 A276 I277 E279S246-R248 PolarHBondContact OG-NE 2.96Å; R248-L250 HydrophobicContact CB-CD1 4.25Å; R248-L250 WeakPolarHBondContact O-CD1 3.49Å; R248-A276 CarbonylContact O-C 3.46Å; R248-A276 WeakPolarHBondContact O-CA 3.36Å; R248-I277 HydrophobicContact CB-CB 4.47Å; R248-I277 PolarHBondContact N-O 2.91Å; R248-I277 PolarHBondContact O-N 2.9Å; R248-E279 IonicContact CZ-OE2 2.65Å; R248-E279 IonicContact NH2-OE2 3.86Å; R248-E279 PolarHBondContact NH2-OE2 2.81Å
249V84.6Confident78.8Confident37 Ų3763 Ų6322%0.22439%0.391CS..EExtended strand (participates in β ladder)trans-96.9122.6177.7-173.60000109.7Q227 L230Q227-V249 HydrophobicContact CG-CB 4.12Å; Q227-V249 HydrophobicContact CG-CG1 4.34Å; Q227-V249 HydrophobicContact CG-CG2 4.12Å; L230-V249 HydrophobicContact CD2-CG1 4.21Å; L230-V249 HydrophobicContact CD2-CG2 3.65Å
250L79.9Confident77.9Confident20 Ų2061 Ų6111%0.10537%0.37CS..EExtended strand (participates in β ladder)trans-106.7113.2-179.1-75.570.3000109.5R248 L256 L260 L270 C275 I277R248-L250 HydrophobicContact CB-CD1 4.25Å; R248-L250 WeakPolarHBondContact O-CD1 3.49Å; L250-L256 HydrophobicContact CD2-CD2 3.45Å; L250-L256 VanDerWaalsContact CD2-CD2 3.45Å; L250-L260 HydrophobicContact CD1-CD1 4.17Å; L250-L260 HydrophobicContact CD2-CD1 3.77Å; L250-L260 HydrophobicContact CG-CD1 4.45Å; L250-L270 HydrophobicContact CD2-CD2 4.01Å; L250-C275 WeakPolarHBondContact CA-O 3.46Å; L250-C275 HydrophobicContact CB-CB 4.5Å; L250-C275 WeakPolarHBondContact CB-O 3.4Å; L250-C275 PolarHBondContact N-O 3.24Å; L250-C275 PolarHBondContact O-N 3.33Å; L250-C275 VanDerWaalsContact O-N 3.09Å; L250-I277 HydrophobicContact CD1-CD1 4.22Å; L250-I277 HydrophobicContact CD1-CG1 4.27Å; L250-I277 HydrophobicContact CD2-CD1 4.46Å
251K78.1Confident76.8Confident59 Ų5962.1 Ų62.126%0.25737%0.367SS..  trans-81.6144.7171.9-58.9-166.3179.9-167.60110.2G223 K254G223-K251 PolarHBondContact O-NZ 3.17Å; K251-K254 HydrophobicContact CB-CD 4.35Å; K251-K254 PolarHBondContact O-N 2.7Å
252P75.1Confident75.6Confident59 Ų5967.4 Ų67.438%0.38339%0.386SS..THydrogen-bonded Turntrans-59.9148.9179.725.7-36.6000111.2K254 E274P252-K254 PolarHBondContact O-N 3.37Å; P252-E274 HydrophobicContact CG-CG 4.05Å
253G64.3Low74.6Confident76 Ų7667 Ų6778%0.78438%0.379SS*.THydrogen-bonded Turntrans72.2-1.7178.800000116.4G271G253-G271 PolarHBondContact N-O 3.33Å
254K68.3Low73.3Confident145 Ų14566.6 Ų66.663%0.6337%0.374SS*.SBendtrans-86.1145.4172.9-68.1-163.7175.3-168.30112K251 P252 L256K251-K254 HydrophobicContact CB-CD 4.35Å; K251-K254 PolarHBondContact O-N 2.7Å; P252-K254 PolarHBondContact O-N 3.37Å; K254-L256 PolarHBondContact O-N 3.49Å
255D59.3Low71.9Confident139 Ų13968.3 Ų68.374%0.74340%0.402SS*.PPolyproline II helixtrans-59.1129.7176.6-107.7-59.6000111.6K261D255-K261 IonicContact OD1-NZ 2.73Å; D255-K261 PolarHBondContact OD1-NZ 3.21Å
256L69Low70.6Confident29 Ų2970.7 Ų70.715%0.15240%0.396CS..PPolyproline II helixtrans-79135.1-178.6-63.8173000111L250 K254 L260 K261 L270L250-L256 HydrophobicContact CD2-CD2 3.45Å; L250-L256 VanDerWaalsContact CD2-CD2 3.45Å; K254-L256 PolarHBondContact O-N 3.49Å; L256-L260 HydrophobicContact CB-CB 4.29Å; L256-K261 HydrophobicContact CB-CB 4.34Å; L256-L270 HydrophobicContact CD1-CB 4.24Å
257P68.1Low69.8Low65 Ų6570.3 Ų70.342%0.42239%0.39SS..PPolyproline II helixtrans-47.8148.9167.3-28.233.4000112.5D259 L260 K261P257-D259 PolarHBondContact O-N 3.12Å; P257-L260 HydrophobicContact CB-CD1 4.44Å; P257-L260 HydrophobicContact CB-CG 4.38Å; P257-L260 HydrophobicContact CG-CD1 4.11Å; P257-L260 CarbonylContact O-C 3.58Å; P257-L260 WeakPolarHBondContact O-CA 3.47Å; P257-L260 PolarHBondContact O-N 2.92Å; P257-K261 PolarHBondContact O-N 3.34Å
258A59.8Low68.5Low75 Ų7572.3 Ų72.362%0.6241%0.41SS*.Hα-helixtrans-52.1-38.3-17200000113.9K261 R262A258-K261 PolarHBondContact O-N 3.14Å; A258-R262 PolarHBondContact O-N 3.22Å
259D64.3Low67.5Low82 Ų8269.9 Ų69.944%0.43940%0.402SS..Hα-helixtrans-68.7-35.8177.5-60-62.1000113.4P257 R262P257-D259 PolarHBondContact O-N 3.12Å; D259-R262 IonicContact OD1-CZ 3.17Å; D259-R262 VanDerWaalsContact OD1-CZ 3.22Å; D259-R262 IonicContact OD1-NH1 2.89Å; D259-R262 PolarHBondContact OD1-NH1 2.97Å; D259-R262 IonicContact OD1-NH2 2.92Å; D259-R262 PolarHBondContact OD1-NH2 3.49Å
260L68.1Low66.3Low1 Ų168.5 Ų68.51%0.00539%0.393CS..Hα-helixtrans-81.7-25.5178.3-53.6-176000111.9M198 L250 L256 P257 R262 L263 S264 I277M198-L260 HydrophobicContact CE-CD2 4.09Å; L250-L260 HydrophobicContact CD1-CD1 4.17Å; L250-L260 HydrophobicContact CD2-CD1 3.77Å; L250-L260 HydrophobicContact CG-CD1 4.45Å; L256-L260 HydrophobicContact CB-CB 4.29Å; P257-L260 HydrophobicContact CB-CD1 4.44Å; P257-L260 HydrophobicContact CB-CG 4.38Å; P257-L260 HydrophobicContact CG-CD1 4.11Å; P257-L260 CarbonylContact O-C 3.58Å; P257-L260 WeakPolarHBondContact O-CA 3.47Å; P257-L260 PolarHBondContact O-N 2.92Å; L260-R262 PolarHBondContact O-N 3.31Å; L260-L263 HydrophobicContact CD2-CD1 3.84Å; L260-L263 CarbonylContact O-C 3.51Å; L260-L263 WeakPolarHBondContact O-CA 3.25Å; L260-L263 WeakPolarHBondContact O-CB 3.33Å; L260-L263 PolarHBondContact O-N 2.99Å; L260-S264 PolarHBondContact O-N 2.98Å; L260-I277 HydrophobicContact CD1-CD1 3.51Å; L260-I277 HydrophobicContact CD2-CD1 3.43Å; L260-I277 VanDerWaalsContact CD2-CD1 3.43Å; L260-I277 HydrophobicContact CG-CD1 4.12Å
261K66Low65.2Low123 Ų12368.4 Ų68.454%0.53540%0.397SS..Hα-helixtrans-66.4-24.3172.5-159.6161.9-171.3152.30112.6D255 L256 P257 A258 L263 S264D255-K261 IonicContact OD1-NZ 2.73Å; D255-K261 PolarHBondContact OD1-NZ 3.21Å; L256-K261 HydrophobicContact CB-CB 4.34Å; P257-K261 PolarHBondContact O-N 3.34Å; A258-K261 PolarHBondContact O-N 3.14Å; K261-L263 VanDerWaalsContact C-N 3.3Å; K261-S264 PolarHBondContact O-OG 2.87Å
262R63.3Low64.6Low172 Ų17271.6 Ų71.665%0.64942%0.417SS*.THydrogen-bonded Turntrans-74-19.9166.1-59.6-172-56.5-106.6-5.4113.1A258 D259 L260A258-R262 PolarHBondContact O-N 3.22Å; D259-R262 IonicContact OD1-CZ 3.17Å; D259-R262 VanDerWaalsContact OD1-CZ 3.22Å; D259-R262 IonicContact OD1-NH1 2.89Å; D259-R262 PolarHBondContact OD1-NH1 2.97Å; D259-R262 IonicContact OD1-NH2 2.92Å; D259-R262 PolarHBondContact OD1-NH2 3.49Å; L260-R262 PolarHBondContact O-N 3.31Å
263L66.1Low64.4Low13 Ų1372.4 Ų72.47%0.06842%0.416CS..THydrogen-bonded Turntrans-97.8-22.9-175.5-59.3179.3000113.5L260 K261 G265 R266 Y267 L270 I310L260-L263 HydrophobicContact CD2-CD1 3.84Å; L260-L263 CarbonylContact O-C 3.51Å; L260-L263 WeakPolarHBondContact O-CA 3.25Å; L260-L263 WeakPolarHBondContact O-CB 3.33Å; L260-L263 PolarHBondContact O-N 2.99Å; K261-L263 VanDerWaalsContact C-N 3.3Å; L263-G265 PolarHBondContact O-N 3.19Å; L263-R266 CarbonylContact O-C 3.53Å; L263-R266 WeakPolarHBondContact O-CA 3.48Å; L263-R266 WeakPolarHBondContact O-CB 3.36Å; L263-R266 PolarHBondContact O-N 2.67Å; L263-Y267 HydrophobicContact CB-CD2 4.16Å; L263-Y267 HydrophobicContact CB-CE2 4.43Å; L263-Y267 HydrophobicContact CD2-CE2 4.41Å; L263-Y267 PolarHBondContact O-N 3.34Å; L263-L270 HydrophobicContact CB-CD1 3.66Å; L263-I310 HydrophobicContact CD1-CD1 4.48Å; L263-I310 HydrophobicContact CD1-CG2 3.57Å; L263-I310 HydrophobicContact CD2-CG2 4.29Å
264S64.3Low65Low43 Ų4371.1 Ų71.130%0.30139%0.389SS..THydrogen-bonded Turntrans-58.5-34.8177.259.80000113.4L260 K261 R266 Y267L260-S264 PolarHBondContact O-N 2.98Å; K261-S264 PolarHBondContact O-OG 2.87Å; S264-R266 PolarHBondContact O-N 3.22Å; S264-Y267 CarbonylContact O-C 3.54Å
265G61.3Low65.6Low79 Ų7964.2 Ų64.281%0.81436%0.36SS*.THydrogen-bonded Turntrans-68.3-11.1171.400000114.9L263L263-G265 PolarHBondContact O-N 3.19Å
266R63.9Low66.9Low117 Ų11757.6 Ų57.644%0.44232%0.324SS..THydrogen-bonded Turntrans-106.4-32.2176.3-59-159.5-69.7-167.63112.9L263 S264L263-R266 CarbonylContact O-C 3.53Å; L263-R266 WeakPolarHBondContact O-CA 3.48Å; L263-R266 WeakPolarHBondContact O-CB 3.36Å; L263-R266 PolarHBondContact O-N 2.67Å; S264-R266 PolarHBondContact O-N 3.22Å
267Y68.8Low67.8Low26 Ų2656.2 Ų56.210%0.10232%0.317CS..  trans-124.896.1176.9-47.8-84.3000109L200 L263 S264 Q269 L270 V308 L309L200-Y267 HydrophobicContact CD2-CD1 4.2Å; L200-Y267 HydrophobicContact CD2-CD2 4.46Å; L200-Y267 HydrophobicContact CD2-CG 3.96Å; L263-Y267 HydrophobicContact CB-CD2 4.16Å; L263-Y267 HydrophobicContact CB-CE2 4.43Å; L263-Y267 HydrophobicContact CD2-CE2 4.41Å; L263-Y267 PolarHBondContact O-N 3.34Å; S264-Y267 CarbonylContact O-C 3.54Å; Y267-Q269 PolarHBondContact O-N 3.11Å; Y267-L270 HydrophobicContact CD2-CD1 3.98Å; Y267-L270 HydrophobicContact CG-CD1 4.43Å; Y267-L270 WeakPolarHBondContact O-CB 3.36Å; Y267-L270 PolarHBondContact O-N 3.01Å; Y267-V308 HydrophobicContact CD1-CG1 4.29Å; Y267-V308 HydrophobicContact CE1-CG1 3.65Å; Y267-L309 PolarHBondContact OH-O 3.43Å
268A61.5Low68.8Low75 Ų7553.1 Ų53.162%0.6230%0.297SS*.THydrogen-bonded Turntrans-63.7-7.9-178.900000114.4N272A268-N272 PolarHBondContact O-ND2 2.8Å
269Q62.5Low70.2Confident33 Ų3352.2 Ų52.215%0.15428%0.28CS..THydrogen-bonded Turntrans-74.9-29172.6-59.1-175-98.800111.6Y267 G271 N272 E273Y267-Q269 PolarHBondContact O-N 3.11Å; Q269-G271 PolarHBondContact O-N 3.27Å; Q269-N272 PolarHBondContact O-N 2.99Å; Q269-E273 WeakPolarHBondContact CB-OE2 3.35Å; Q269-E273 VanDerWaalsContact CG-OE2 3.28Å; Q269-E273 WeakPolarHBondContact CG-OE2 3.49Å; Q269-E273 PolarHBondContact NE2-OE2 3.05Å; Q269-E273 PolarHBondContact O-N 2.81Å
270L60.4Low71.5Confident7 Ų748.4 Ų48.44%0.03726%0.259CS..BIsolated β-bridgetrans-65.8103.1176.6-73172.2000111.1L200 L250 L256 L263 Y267 I277L200-L270 HydrophobicContact CD1-CD2 3.56Å; L200-L270 HydrophobicContact CD1-CG 4.35Å; L200-L270 HydrophobicContact CD2-CD2 4.19Å; L200-L270 HydrophobicContact CD2-CG 4.07Å; L250-L270 HydrophobicContact CD2-CD2 4.01Å; L256-L270 HydrophobicContact CD1-CB 4.24Å; L263-L270 HydrophobicContact CB-CD1 3.66Å; Y267-L270 HydrophobicContact CD2-CD1 3.98Å; Y267-L270 HydrophobicContact CG-CD1 4.43Å; Y267-L270 WeakPolarHBondContact O-CB 3.36Å; Y267-L270 PolarHBondContact O-N 3.01Å; L270-I277 HydrophobicContact CD2-CD1 4.42Å
271G56.3Low72.5Confident18 Ų1854.1 Ų54.119%0.18629%0.286CS..THydrogen-bonded Turntrans109.7-20.5175.600000114.5G253 Q269G253-G271 PolarHBondContact N-O 3.33Å; Q269-G271 PolarHBondContact O-N 3.27Å
272N65.3Low73.6Confident127 Ų12753.7 Ų53.768%0.67929%0.286SS*.THydrogen-bonded Turntrans-95.1-30.2175.4-66.5-46.6000112.6A268 Q269A268-N272 PolarHBondContact O-ND2 2.8Å; Q269-N272 PolarHBondContact O-N 2.99Å
273E70.7Confident74.7Confident76 Ų7647 Ų4736%0.35526%0.264SS..BIsolated β-bridgetrans-120.9154.6-175.7-66.4168.7179.600110.6Q269 C275Q269-E273 WeakPolarHBondContact CB-OE2 3.35Å; Q269-E273 VanDerWaalsContact CG-OE2 3.28Å; Q269-E273 WeakPolarHBondContact CG-OE2 3.49Å; Q269-E273 PolarHBondContact NE2-OE2 3.05Å; Q269-E273 PolarHBondContact O-N 2.81Å; E273-C275 PolarHBondContact O-N 3.17Å; E273-C275 VanDerWaalsContact O-N 3.14Å; E273-C275 PolarHBondContact O-SG 3.44Å; E273-C275 VanDerWaalsContact O-SG 3.38Å
274E77.1Confident75.6Confident48 Ų4854 Ų5422%0.22430%0.296CS..  trans-64.7112.4169.9-76-177.1164.700109.8L204 Q205 P252L204-E274 HydrophobicContact CD1-CB 4.4Å; Q205-E274 VanDerWaalsContact CG-OE2 3.26Å; Q205-E274 WeakPolarHBondContact CG-OE2 3.37Å; Q205-E274 PolarHBondContact NE2-OE2 2.96Å; P252-E274 HydrophobicContact CG-CG 4.05Å
275C82.5Confident76.8Confident1 Ų152 Ų521%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-123.5148-177.4-63.80000110.4L200 L201 S202 L250 E273L200-C275 HydrophobicContact CD1-CB 3.87Å; L201-C275 CarbonylContact O-C 3.57Å; L201-C275 WeakPolarHBondContact O-CA 3.2Å; L201-C275 WeakPolarHBondContact O-CB 3.38Å; S202-C275 PolarHBondContact OG-SG 2.92Å; L250-C275 WeakPolarHBondContact CA-O 3.46Å; L250-C275 HydrophobicContact CB-CB 4.5Å; L250-C275 WeakPolarHBondContact CB-O 3.4Å; L250-C275 PolarHBondContact N-O 3.24Å; L250-C275 PolarHBondContact O-N 3.33Å; L250-C275 VanDerWaalsContact O-N 3.09Å; E273-C275 PolarHBondContact O-N 3.17Å; E273-C275 VanDerWaalsContact O-N 3.14Å; E273-C275 PolarHBondContact O-SG 3.44Å; E273-C275 VanDerWaalsContact O-SG 3.38Å
276A85.9Confident78.1Confident0 Ų048.3 Ų48.30%024%0.244CC..EExtended strand (participates in β ladder)trans-119153.5167.300000109.8L201 L204 L230 L234 R248L201-A276 HydrophobicContact CB-CB 4.26Å; L201-A276 HydrophobicContact CD1-CB 4.26Å; L201-A276 PolarHBondContact N-O 3.12Å; L201-A276 PolarHBondContact O-N 2.82Å; L204-A276 HydrophobicContact CD1-CB 3.89Å; L204-A276 HydrophobicContact CD2-CB 4.08Å; L230-A276 HydrophobicContact CD2-CB 4.45Å; L234-A276 HydrophobicContact CD1-CB 3.63Å; R248-A276 CarbonylContact O-C 3.46Å; R248-A276 WeakPolarHBondContact O-CA 3.36Å
277I86.8Confident79.1Confident0 Ų044.4 Ų44.40%023%0.233CC..EExtended strand (participates in β ladder)trans-123.7122.7174.2-63.5-179.2000107.9M198 L199 L200 V247 R248 L250 L260 L270 I310M198-I277 HydrophobicContact CB-CG2 4.36Å; M198-I277 HydrophobicContact CE-CG2 3.65Å; L199-I277 VanDerWaalsContact O-CA 3.25Å; L199-I277 WeakPolarHBondContact O-CA 3.29Å; L200-I277 HydrophobicContact CD1-CG1 4.02Å; V247-I277 WeakPolarHBondContact CA-O 3.3Å; R248-I277 HydrophobicContact CB-CB 4.47Å; R248-I277 PolarHBondContact N-O 2.91Å; R248-I277 PolarHBondContact O-N 2.9Å; L250-I277 HydrophobicContact CD1-CD1 4.22Å; L250-I277 HydrophobicContact CD1-CG1 4.27Å; L250-I277 HydrophobicContact CD2-CD1 4.46Å; L260-I277 HydrophobicContact CD1-CD1 3.51Å; L260-I277 HydrophobicContact CD2-CD1 3.43Å; L260-I277 VanDerWaalsContact CD2-CD1 3.43Å; L260-I277 HydrophobicContact CG-CD1 4.12Å; L270-I277 HydrophobicContact CD2-CD1 4.42Å; I277-I310 HydrophobicContact CD1-CD1 4.13Å; I277-I310 HydrophobicContact CG1-CD1 4.33Å; I277-I310 HydrophobicContact CG2-CD1 4.2Å
278V89.4Confident79.9Confident0 Ų048.8 Ų48.80%025%0.253CS..EExtended strand (participates in β ladder)trans-109.4121.8175.2179.90000107.3M198 L199 L201 L234 F238 I244 V247 F280M198-V278 CarbonylContact C-O 3.57Å; M198-V278 WeakPolarHBondContact CA-O 3.36Å; L199-V278 PolarHBondContact N-O 2.98Å; L199-V278 PolarHBondContact O-N 3.45Å; L201-V278 HydrophobicContact CD1-CG2 3.71Å; L234-V278 HydrophobicContact CD1-CG2 4.3Å; L234-V278 HydrophobicContact CD2-CG2 4.29Å; F238-V278 HydrophobicContact CB-CG1 4.2Å; F238-V278 HydrophobicContact CD2-CG2 4.23Å; F238-V278 HydrophobicContact CG-CG1 4.41Å; F238-V278 HydrophobicContact CG-CG2 4.49Å; I244-V278 HydrophobicContact CD1-CG1 4.29Å; I244-V278 HydrophobicContact CG1-CG1 4.23Å; I244-V278 HydrophobicContact CG2-CG1 3.91Å; V247-V278 HydrophobicContact CG1-CG2 4.49Å; V247-V278 HydrophobicContact CG2-CG2 4.49Å; V278-F280 HydrophobicContact CB-CE2 4.47Å; V278-F280 HydrophobicContact CG1-CD2 4.26Å; V278-F280 HydrophobicContact CG1-CE2 3.74Å; V278-F280 HydrophobicContact CG1-CZ 4.01Å
279E89.5Confident81.2Confident56 Ų5645.2 Ų45.226%0.26222%0.224SC..EExtended strand (participates in β ladder)trans-109.9121.8177.9-176.9172-157.500108.6R197 M198 I244 A245 S246 R248R197-E279 CarbonylContact O-C 3.53Å; R197-E279 WeakPolarHBondContact O-CA 3.29Å; M198-E279 HydrophobicContact CG-CB 4.16Å; M198-E279 HydrophobicContact CG-CG 3.9Å; I244-E279 CarbonylContact C-O 3.59Å; I244-E279 WeakPolarHBondContact CG2-O 3.49Å; A245-E279 WeakPolarHBondContact CA-O 3.2Å; A245-E279 HydrophobicContact CB-CG 4.46Å; A245-E279 PolarHBondContact N-O 2.78Å; S246-E279 PolarHBondContact N-O 3Å; S246-E279 PolarHBondContact O-N 3.06Å; S246-E279 WeakPolarHBondContact OG-CB 3.5Å; S246-E279 PolarHBondContact OG-OE2 3.25Å; R248-E279 IonicContact CZ-OE2 2.65Å; R248-E279 IonicContact NH2-OE2 3.86Å; R248-E279 PolarHBondContact NH2-OE2 2.81Å
280F90.9Very high82.3Confident1 Ų145.5 Ų45.50%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-88.6160.6178.1-70.3-91.6000111.5R197 L199 F238 A243 I244 V278 E282 A285 A286 A289R197-F280 HydrophobicContact CB-CB 4.49Å; R197-F280 VanDerWaalsContact CB-O 3.26Å; R197-F280 WeakPolarHBondContact CB-O 3.13Å; R197-F280 WeakPolarHBondContact CD-O 3.34Å; R197-F280 PolarHBondContact O-N 2.92Å; L199-F280 HydrophobicContact CD1-CE2 3.76Å; L199-F280 HydrophobicContact CG-CE2 4.03Å; F238-F280 HydrophobicContact CB-CE1 4.46Å; F238-F280 HydrophobicContact CB-CZ 3.92Å; F238-F280 AromaticContact CD1-CZ 3.99Å; F238-F280 HydrophobicContact CD1-CZ 3.99Å; F238-F280 HydrophobicContact CG-CZ 4.37Å; A243-F280 WeakPolarHBondContact O-CA 3.18Å; A243-F280 WeakPolarHBondContact O-CD1 3.32Å; I244-F280 HydrophobicContact CG1-CD1 4.26Å; I244-F280 HydrophobicContact CG1-CE1 4.03Å; V278-F280 HydrophobicContact CB-CE2 4.47Å; V278-F280 HydrophobicContact CG1-CD2 4.26Å; V278-F280 HydrophobicContact CG1-CE2 3.74Å; V278-F280 HydrophobicContact CG1-CZ 4.01Å; F280-E282 VanDerWaalsContact CB-O 3.28Å; F280-E282 WeakPolarHBondContact CB-O 3.3Å; F280-A285 HydrophobicContact CB-CB 4.28Å; F280-A285 HydrophobicContact CD1-CB 3.68Å; F280-A285 HydrophobicContact CE1-CB 4.26Å; F280-A285 HydrophobicContact CG-CB 4.1Å; F280-A286 HydrophobicContact CB-CB 4.34Å; F280-A286 HydrophobicContact CD2-CB 3.68Å; F280-A286 HydrophobicContact CE2-CB 4.34Å; F280-A286 HydrophobicContact CG-CB 4.24Å; F280-A289 HydrophobicContact CE2-CB 4.18Å; F280-A289 HydrophobicContact CZ-CB 3.82Å
281E90.9Very high83.4Confident121 Ų12151.7 Ų51.757%0.56526%0.255SS*.SBendtrans-72.7-37167.3-173.7166.9-16700111.2R197 A243R197-E281 VanDerWaalsContact CD-O 3.25Å; R197-E281 WeakPolarHBondContact CD-O 3.06Å; R197-E281 PolarHBondContact NE-O 3.09Å; R197-E281 VanDerWaalsContact NE-O 3.1Å; R197-E281 PolarHBondContact NH1-O 3.05Å; A243-E281 HydrophobicContact CB-CB 4.09Å; A243-E281 PolarHBondContact O-N 3.42Å
282E87.5Confident84.6Confident115 Ų11552.9 Ų52.954%0.53726%0.263SS..SBendtrans-106.1149.8179.4-66.1-172.915300113F280 A285F280-E282 VanDerWaalsContact CB-O 3.28Å; F280-E282 WeakPolarHBondContact CB-O 3.3Å; E282-A285 HydrophobicContact CB-CB 4.12Å
283V87.1Confident85.2Confident32 Ų3247 Ų4719%0.19423%0.231CC..Hα-helixtrans-73.8-37.3174.5-178.10000111L194 P195 R197 A286 V287L194-V283 HydrophobicContact CD2-CG1 4Å; P195-V283 HydrophobicContact CB-CG1 3.68Å; P195-V283 HydrophobicContact CG-CG1 4.3Å; P195-V283 VanDerWaalsContact O-CG1 3.22Å; P195-V283 WeakPolarHBondContact O-CG1 3.24Å; R197-V283 HydrophobicContact CG-CB 4.49Å; R197-V283 HydrophobicContact CG-CG2 3.65Å; V283-A286 WeakPolarHBondContact O-CB 3.41Å; V283-A286 PolarHBondContact O-N 2.88Å; V283-V287 PolarHBondContact O-N 3.35Å; V283-V287 VanDerWaalsContact O-N 3.09Å
284E85.5Confident85.2Confident158 Ų15844 Ų4474%0.73822%0.222SC*.Hα-helixtrans-65.3-42.6-177.9-58.3-172.1-177.100111.5A286 V287 K288E284-A286 VanDerWaalsContact C-N 3.31Å; E284-A286 PolarHBondContact O-N 3.13Å; E284-V287 PolarHBondContact O-N 3.04Å; E284-K288 WeakPolarHBondContact O-CB 3.37Å; E284-K288 PolarHBondContact O-N 2.83Å
285A88.8Confident84.3Confident3 Ų343.4 Ų43.43%0.02523%0.228CC..Hα-helixtrans-55.4-43.3172.100000112.7F280 E282 A289F280-A285 HydrophobicContact CB-CB 4.28Å; F280-A285 HydrophobicContact CD1-CB 3.68Å; F280-A285 HydrophobicContact CE1-CB 4.26Å; F280-A285 HydrophobicContact CG-CB 4.1Å; E282-A285 HydrophobicContact CB-CB 4.12Å; A285-A289 VanDerWaalsContact O-CB 3.28Å; A285-A289 WeakPolarHBondContact O-CB 3.5Å; A285-A289 PolarHBondContact O-N 3.16Å
286A87.7Confident82.9Confident0 Ų053.4 Ų53.40%028%0.275CS..Hα-helixtrans-65.7-41.1177.400000112.2L199 F280 V283 E284 N290 L309L199-A286 HydrophobicContact CD2-CB 4.35Å; L199-A286 WeakPolarHBondContact CD2-O 3.38Å; F280-A286 HydrophobicContact CB-CB 4.34Å; F280-A286 HydrophobicContact CD2-CB 3.68Å; F280-A286 HydrophobicContact CE2-CB 4.34Å; F280-A286 HydrophobicContact CG-CB 4.24Å; V283-A286 WeakPolarHBondContact O-CB 3.41Å; V283-A286 PolarHBondContact O-N 2.88Å; E284-A286 VanDerWaalsContact C-N 3.31Å; E284-A286 PolarHBondContact O-N 3.13Å; A286-N290 WeakPolarHBondContact O-CB 3.39Å; A286-N290 PolarHBondContact O-N 3.07Å; A286-L309 HydrophobicContact CB-CD1 4.43Å
287V85.6Confident81.2Confident35 Ų3559.9 Ų59.921%0.21231%0.31CS..Hα-helixtrans-64-50.1175.61760000110.8P195 V283 E284 A289 N290 E291P195-V287 HydrophobicContact CB-CG2 3.56Å; P195-V287 HydrophobicContact CG-CG2 3.46Å; P195-V287 VanDerWaalsContact CG-CG2 3.46Å; V283-V287 PolarHBondContact O-N 3.35Å; V283-V287 VanDerWaalsContact O-N 3.09Å; E284-V287 PolarHBondContact O-N 3.04Å; V287-A289 VanDerWaalsContact C-N 3.33Å; V287-A289 PolarHBondContact O-N 2.87Å; V287-N290 CarbonylContact O-C 3.55Å; V287-N290 WeakPolarHBondContact O-CA 3.36Å; V287-N290 WeakPolarHBondContact O-CB 3.45Å; V287-N290 PolarHBondContact O-N 3.44Å; V287-E291 HydrophobicContact CG1-CG 4.39Å; V287-E291 WeakPolarHBondContact CG1-OE1 3.41Å; V287-E291 WeakPolarHBondContact O-CG 3.24Å; V287-E291 PolarHBondContact O-N 3.46Å
288K87Confident79.6Confident119 Ų11962.4 Ų62.452%0.51734%0.335SS..Hα-helixtrans-57.5-43.1178.8-174.8-176.2179.9-174.10112.3Y241 E284 E291 A292Y241-K288 HydrophobicContact CD1-CG 4.22Å; E284-K288 WeakPolarHBondContact O-CB 3.37Å; E284-K288 PolarHBondContact O-N 2.83Å; K288-E291 PolarHBondContact O-N 3.23Å; K288-A292 VanDerWaalsContact O-CB 3.31Å; K288-A292 WeakPolarHBondContact O-CB 3.4Å; K288-A292 PolarHBondContact O-N 3.08Å
289A87.9Confident77.8Confident0 Ų064.2 Ų64.20%035%0.354CS..Hα-helixtrans-67-38174.200000112.9L199 F238 Y241 F280 A285 V287 V293L199-A289 HydrophobicContact CD1-CB 3.69Å; F238-A289 HydrophobicContact CD1-CB 3.92Å; F238-A289 HydrophobicContact CE1-CB 4.2Å; Y241-A289 HydrophobicContact CD2-CB 3.72Å; Y241-A289 HydrophobicContact CG-CB 3.8Å; F280-A289 HydrophobicContact CE2-CB 4.18Å; F280-A289 HydrophobicContact CZ-CB 3.82Å; A285-A289 VanDerWaalsContact O-CB 3.28Å; A285-A289 WeakPolarHBondContact O-CB 3.5Å; A285-A289 PolarHBondContact O-N 3.16Å; V287-A289 VanDerWaalsContact C-N 3.33Å; V287-A289 PolarHBondContact O-N 2.87Å; A289-V293 WeakPolarHBondContact O-CB 3.2Å; A289-V293 WeakPolarHBondContact O-CG2 3.38Å; A289-V293 PolarHBondContact O-N 3.19Å
290N85Confident76.2Confident38 Ų3866.7 Ų66.720%0.20337%0.373CS..Hα-helixtrans-64.5-37.1172.9167.493.9000112.2L199 A286 V287 G294 L309L199-N290 HydrophobicContact CD2-CB 3.9Å; A286-N290 WeakPolarHBondContact O-CB 3.39Å; A286-N290 PolarHBondContact O-N 3.07Å; V287-N290 CarbonylContact O-C 3.55Å; V287-N290 WeakPolarHBondContact O-CA 3.36Å; V287-N290 WeakPolarHBondContact O-CB 3.45Å; V287-N290 PolarHBondContact O-N 3.44Å; N290-G294 WeakPolarHBondContact O-CA 3.22Å; N290-G294 PolarHBondContact O-N 3.23Å; N290-L309 HydrophobicContact CB-CB 4.36Å; N290-L309 PolarHBondContact OD1-N 2.93Å
291E83.9Confident74.8Confident137 Ų13767.1 Ų67.164%0.6438%0.377SS*.Hα-helixtrans-76.7-37.5178.7-70.5171.5174.300112.4V287 K288V287-E291 HydrophobicContact CG1-CG 4.39Å; V287-E291 WeakPolarHBondContact CG1-OE1 3.41Å; V287-E291 WeakPolarHBondContact O-CG 3.24Å; V287-E291 PolarHBondContact O-N 3.46Å; K288-E291 PolarHBondContact O-N 3.23Å
292A81.3Confident73.3Confident44 Ų4466.6 Ų66.636%0.36439%0.385SS..Hα-helixtrans-73.8-31.1178.300000113.5Y241 K288Y241-A292 HydrophobicContact CD1-CB 4.17Å; Y241-A292 HydrophobicContact CE1-CB 3.34Å; K288-A292 VanDerWaalsContact O-CB 3.31Å; K288-A292 WeakPolarHBondContact O-CB 3.4Å; K288-A292 PolarHBondContact O-N 3.08Å
293V78.1Confident72.1Confident2 Ų262.9 Ų62.91%0.01237%0.368CS..Hα-helixtrans-112.6-25.4-174.4-166.40000113F238 Y241 A289 G301 L303 V307F238-V293 HydrophobicContact CE1-CG2 4.13Å; F238-V293 HydrophobicContact CZ-CG1 4.38Å; F238-V293 HydrophobicContact CZ-CG2 4.45Å; Y241-V293 HydrophobicContact CE2-CG2 3.9Å; A289-V293 WeakPolarHBondContact O-CB 3.2Å; A289-V293 WeakPolarHBondContact O-CG2 3.38Å; A289-V293 PolarHBondContact O-N 3.19Å; V293-G301 VanDerWaalsContact O-CA 3.3Å; V293-G301 WeakPolarHBondContact O-CA 3.18Å; V293-L303 HydrophobicContact CG1-CB 4.27Å; V293-L303 HydrophobicContact CG1-CD1 3.68Å; V293-L303 HydrophobicContact CG1-CG 4.12Å; V293-L303 HydrophobicContact CG2-CD1 4.25Å; V293-V307 HydrophobicContact CB-CG2 3.83Å; V293-V307 HydrophobicContact CG1-CG2 3.47Å; V293-V307 VanDerWaalsContact CG1-CG2 3.47Å
294G69.8Low71Confident15 Ų1562 Ų6216%0.15537%0.366CS..SBendtrans-94.5117.917500000111.8N290N290-G294 WeakPolarHBondContact O-CA 3.22Å; N290-G294 PolarHBondContact O-N 3.23Å
295G59Low70.5Confident35 Ų3554.6 Ų54.636%0.36133%0.331SS..  trans-66.6145.8172.100000112.3D297 G298G295-D297 PolarHBondContact O-N 2.99Å; G295-G298 PolarHBondContact O-N 2.62Å; G295-G298 VanDerWaalsContact O-N 3.16Å
296E52.5Low70Confident211 Ų21157.4 Ų57.499%0.98634%0.343SS*.THydrogen-bonded Turntrans-54-23.6-167.3-165.9174.491.900115.9
297D51.3Low69.7Low136 Ų13658 Ų5873%0.72735%0.346SS*.THydrogen-bonded Turntrans-130.246.5177.7-159.77.7000113.5G295 G299G295-D297 PolarHBondContact O-N 2.99Å; D297-G299 PolarHBondContact O-N 3.4Å; D297-G299 VanDerWaalsContact O-N 3.11Å
298G53.9Low69.6Low52 Ų5258.1 Ų58.154%0.53635%0.347SS..SBendtrans66.417.417500000114.4G295G295-G298 PolarHBondContact O-N 2.62Å; G295-G298 VanDerWaalsContact O-N 3.16Å
299G51Low69.4Low38 Ų3853.4 Ų53.439%0.39233%0.327SS..  trans-71.5150.8170.700000111.5D297 G301D297-G299 PolarHBondContact O-N 3.4Å; D297-G299 VanDerWaalsContact O-N 3.11Å; G299-G301 PolarHBondContact O-N 3.13Å
300T54.9Low68.7Low109 Ų10953.5 Ų53.567%0.66933%0.328SS*.  trans-50.7117.5171.6-53.30000110.3G304T300-G304 VanDerWaalsContact CG2-CA 3.48Å; T300-G304 WeakPolarHBondContact CG2-O 3.36Å
301G61.7Low67.6Low9 Ų952.8 Ų52.89%0.09333%0.33CS..  trans-69176.9177.700000113.2V293 G299 L303 G304 L305V293-G301 VanDerWaalsContact O-CA 3.3Å; V293-G301 WeakPolarHBondContact O-CA 3.18Å; G299-G301 PolarHBondContact O-N 3.13Å; G301-L303 PolarHBondContact O-N 3.01Å; G301-G304 PolarHBondContact O-N 3.01Å; G301-L305 PolarHBondContact N-O 3.26Å
302P60Low66.4Low110 Ų11048.3 Ų48.371%0.71431%0.312SS*.THydrogen-bonded Turntrans-57.8-22.1178.424.1-34.3000113.6
303L62.4Low64.7Low38 Ų3853.7 Ų53.720%0.19933%0.327CS..THydrogen-bonded Turntrans-91.58.2178.2-59-179.7000114.3W207 A237 V293 G301 L305W207-L303 HydrophobicContact CH2-CD1 3.91Å; W207-L303 HydrophobicContact CZ2-CB 4.35Å; W207-L303 HydrophobicContact CZ2-CD1 3.7Å; W207-L303 HydrophobicContact CZ2-CD2 4.31Å; W207-L303 HydrophobicContact CZ2-CG 4.34Å; A237-L303 HydrophobicContact CB-CD1 4.4Å; V293-L303 HydrophobicContact CG1-CB 4.27Å; V293-L303 HydrophobicContact CG1-CD1 3.68Å; V293-L303 HydrophobicContact CG1-CG 4.12Å; V293-L303 HydrophobicContact CG2-CD1 4.25Å; G301-L303 PolarHBondContact O-N 3.01Å; L303-L305 HydrophobicContact CB-CG 4.49Å; L303-L305 PolarHBondContact O-N 3.03Å; L303-L305 VanDerWaalsContact O-N 3.16Å
304G64.1Low63.1Low14 Ų1457.2 Ų57.214%0.14435%0.35CS..SBendtrans75.4-5.1-175.600000114.5T300 G301T300-G304 VanDerWaalsContact CG2-CA 3.48Å; T300-G304 WeakPolarHBondContact CG2-O 3.36Å; G301-G304 PolarHBondContact O-N 3.01Å
305L74.3Confident61.9Low1 Ų162 Ų621%0.00538%0.378CS..  trans-88.5157.7-177.5-69-168000113.7L201 L204 W207 G301 L303 V307L201-L305 HydrophobicContact CB-CD1 4.36Å; L201-L305 HydrophobicContact CD1-CD1 4.45Å; L201-L305 HydrophobicContact CD2-CD1 4.32Å; L204-L305 HydrophobicContact CD2-CD2 4.15Å; W207-L305 HydrophobicContact CB-CD2 4.23Å; W207-L305 HydrophobicContact CD2-CD1 4.31Å; W207-L305 HydrophobicContact CD2-CD2 4.48Å; W207-L305 HydrophobicContact CD2-CG 4.25Å; W207-L305 HydrophobicContact CE3-CD1 3.36Å; W207-L305 HydrophobicContact CE3-CD2 3.87Å; W207-L305 HydrophobicContact CE3-CG 3.68Å; W207-L305 HydrophobicContact CH2-CD1 4.22Å; W207-L305 HydrophobicContact CZ3-CD1 3.29Å; W207-L305 HydrophobicContact CZ3-CG 4.11Å; G301-L305 PolarHBondContact N-O 3.26Å; L303-L305 HydrophobicContact CB-CG 4.49Å; L303-L305 PolarHBondContact O-N 3.03Å; L303-L305 VanDerWaalsContact O-N 3.16Å; L305-V307 HydrophobicContact CB-CG2 4.33Å
306K77.7Confident60.8Low63 Ų6369.8 Ų69.827%0.27440%0.402SS..EExtended strand (participates in β ladder)trans-103.7106.3162.5-172.6-174.7-174.6-175.10109.8S202 V308S202-K306 PolarHBondContact N-O 3.01Å; S202-K306 PolarHBondContact O-N 3.4Å; S202-K306 VanDerWaalsContact O-N 3.17Å; K306-V308 HydrophobicContact CG-CG2 4.29Å
307V82.9Confident60.2Low12 Ų1268.4 Ų68.47%0.07339%0.393CS..EExtended strand (participates in β ladder)trans-95.2133.3176.7-1740000109.6L199 L200 L201 V293 L305L199-V307 HydrophobicContact CB-CG1 4.37Å; L199-V307 HydrophobicContact CD1-CG1 3.98Å; L199-V307 HydrophobicContact CD2-CG1 4.49Å; L200-V307 CarbonylContact O-C 3.53Å; L200-V307 WeakPolarHBondContact O-CA 3.5Å; L201-V307 HydrophobicContact CD2-CB 4.09Å; L201-V307 HydrophobicContact CD2-CG1 3.81Å; L201-V307 HydrophobicContact CD2-CG2 3.54Å; V293-V307 HydrophobicContact CB-CG2 3.83Å; V293-V307 HydrophobicContact CG1-CG2 3.47Å; V293-V307 VanDerWaalsContact CG1-CG2 3.47Å; L305-V307 HydrophobicContact CB-CG2 4.33Å
308V82.1Confident59.8Low38 Ų3871.1 Ų71.123%0.2340%0.398CS..EExtended strand (participates in β ladder)trans-138.9115.2177.6-173.10000109.9L200 Y267 K306 I310L200-V308 HydrophobicContact CB-CB 4.4Å; L200-V308 WeakPolarHBondContact CB-O 3.23Å; L200-V308 PolarHBondContact N-O 3.49Å; L200-V308 PolarHBondContact O-N 2.95Å; Y267-V308 HydrophobicContact CD1-CG1 4.29Å; Y267-V308 HydrophobicContact CE1-CG1 3.65Å; K306-V308 HydrophobicContact CG-CG2 4.29Å; V308-I310 PolarHBondContact O-N 3.41Å
309L82.7Confident58.9Low19 Ų1973.8 Ų73.810%0.09940%0.404CS..EExtended strand (participates in β ladder)trans-57.1121.2171.1-178.864.6000111.9P195 S196 L199 Y267 A286 N290 T312P195-L309 HydrophobicContact CB-CD1 3.89Å; P195-L309 HydrophobicContact CB-CD2 3.51Å; P195-L309 HydrophobicContact CB-CG 4.1Å; P195-L309 HydrophobicContact CG-CD2 3.85Å; S196-L309 VanDerWaalsContact O-CD1 3.31Å; S196-L309 WeakPolarHBondContact O-CD1 3.38Å; L199-L309 HydrophobicContact CD2-CB 4.15Å; L199-L309 HydrophobicContact CD2-CD1 3.61Å; Y267-L309 PolarHBondContact OH-O 3.43Å; A286-L309 HydrophobicContact CB-CD1 4.43Å; N290-L309 HydrophobicContact CB-CB 4.36Å; N290-L309 PolarHBondContact OD1-N 2.93Å; L309-T312 HydrophobicContact CD2-CG2 3.83Å; L309-T312 HydrophobicContact CG-CG2 4.31Å
310I74.4Confident58.3Low3 Ų377.4 Ų77.42%0.01542%0.42CS..SBendtrans-78.2151.6177.9-63.7169.1000109.5S196 M198 L200 L263 I277 V308 T312S196-I310 WeakPolarHBondContact CB-O 3.45Å; S196-I310 PolarHBondContact N-O 3.39Å; S196-I310 VanDerWaalsContact N-O 3.09Å; S196-I310 PolarHBondContact OG-O 3.14Å; M198-I310 HydrophobicContact CB-CB 4.07Å; M198-I310 HydrophobicContact CB-CD1 3.99Å; M198-I310 HydrophobicContact CE-CD1 4.44Å; M198-I310 VanDerWaalsContact O-CB 3.31Å; M198-I310 WeakPolarHBondContact O-CB 3.48Å; M198-I310 PolarHBondContact O-N 3.35Å; L200-I310 HydrophobicContact CB-CD1 3.91Å; L200-I310 HydrophobicContact CB-CG1 3.85Å; L263-I310 HydrophobicContact CD1-CD1 4.48Å; L263-I310 HydrophobicContact CD1-CG2 3.57Å; L263-I310 HydrophobicContact CD2-CG2 4.29Å; I277-I310 HydrophobicContact CD1-CD1 4.13Å; I277-I310 HydrophobicContact CG1-CD1 4.33Å; I277-I310 HydrophobicContact CG2-CD1 4.2Å; V308-I310 PolarHBondContact O-N 3.41Å; I310-T312 PolarHBondContact O-N 3.32Å
311G62.7Low57.1Low23 Ų2380.8 Ų80.824%0.23743%0.426CS..SBendtrans97-28.9165.700000115.1S196S196-G311 WeakPolarHBondContact OG-CA 3.31Å
312T57.2Low55.7Low43 Ų4387.1 Ų87.126%0.26446%0.457SS..SBendtrans-59.1142165.462.40000109.3L309 I310L309-T312 HydrophobicContact CD2-CG2 3.83Å; L309-T312 HydrophobicContact CG-CG2 4.31Å; I310-T312 PolarHBondContact O-N 3.32Å
313K45.6Very low54.5Low156 Ų15693 Ų9368%0.67847%0.465SS*.PPolyproline II helixtrans-64.2130167.6-73.7169.5-176.5153.70106.1
314P45.4Very low53Low76 Ų7696.7 Ų96.749%0.49449%0.492SS..PPolyproline II helixtrans-53.7132.1-173.421-33000109.2K316P314-K316 PolarHBondContact O-N 3.35Å; P314-K316 VanDerWaalsContact O-N 3.07Å
315P43.5Very low51.8Low115 Ų115107.6 Ų107.675%0.74753%0.529SS*.PPolyproline II helixtrans-55.8123.4179.122.5-32.2000107.5K317P315-K317 PolarHBondContact O-N 3.26Å
316K37.1Very low49.8Very low200 Ų200116 Ų11687%0.8757%0.568SS**  trans-60.5103.8173-69.5-179.4179.3179.40106P314 K318P314-K316 PolarHBondContact O-N 3.35Å; P314-K316 VanDerWaalsContact O-N 3.07Å; K316-K318 VanDerWaalsContact C-N 3.31Å; K316-K318 PolarHBondContact O-N 3.03Å
317K39.6Very low47.7Very low181 Ų181121.8 Ų121.879%0.78760%0.596SS**  trans-47.795.1-178.3-100-169.8169.3-1710110P315 V319P315-K317 PolarHBondContact O-N 3.26Å; K317-V319 PolarHBondContact O-N 2.91Å; K317-V319 VanDerWaalsContact O-N 3.16Å
318K41.8Very low45.5Very low194 Ų194125.2 Ų125.284%0.84363%0.634SS**  trans-79.786.6159.9-77.6-169.2176.8-175.90104.3K316 P320K316-K318 VanDerWaalsContact C-N 3.31Å; K316-K318 PolarHBondContact O-N 3.03Å; K318-P320 WeakPolarHBondContact O-CD 3.39Å; K318-P320 VanDerWaalsContact O-N 3.11Å
319V35.4Very low43.2Very low108 Ų108127 Ų12766%0.65566%0.66SS**  trans-58.9113.7168177.80000106.5K317 K321K317-V319 PolarHBondContact O-N 2.91Å; K317-V319 VanDerWaalsContact O-N 3.16Å; V319-K321 HydrophobicContact CG1-CB 4.38Å; V319-K321 PolarHBondContact O-N 3.35Å
320P39.2Very low41.1Very low114 Ų114133.7 Ų133.774%0.7469%0.693SS**  trans-76.588.6169.91.518.6000105K318 D322K318-P320 WeakPolarHBondContact O-CD 3.39Å; K318-P320 VanDerWaalsContact O-N 3.11Å; P320-D322 VanDerWaalsContact C-N 3.29Å; P320-D322 PolarHBondContact O-N 3.46Å
321K30.5Very low39.5Very low180 Ų180145.4 Ų145.478%0.78374%0.737SS**  trans-78.589.3174.8-173.9161.1-175.8171.50108.5V319V319-K321 HydrophobicContact CG1-CB 4.38Å; V319-K321 PolarHBondContact O-N 3.35Å
322D31.6Very low38.6Very low141 Ų141152.3 Ų152.375%0.75476%0.76SS**  trans-57.4151.6164-149.3-24000110.2P320P320-D322 VanDerWaalsContact C-N 3.29Å; P320-D322 PolarHBondContact O-N 3.46Å
323R34.1Very low37.9Very low233 Ų233156 Ų15688%0.87979%0.788SS**  trans-91.8132.3-173.1-71.3-177175.5-175.3-0.3111
324P32.3Very low38.1Very low117 Ų117160.1 Ų160.176%0.7680%0.799SS**  trans-112.8145.4131.332-28.2000111
325R38.7Very low38.6Very low242 Ų242160.4 Ų160.491%0.91380%0.803SS**  trans-83.4126.9177.2165.3-168.7177.9-165.90.3109.1
326E30.8Very low38.8Very low179 Ų179162.5 Ų162.584%0.83681%0.807SS**  trans-166.6163.5159.3-100.2-74.497.200108.3
327E34.1Very low39.6Very low183 Ų183159.3 Ų159.386%0.85580%0.799SS**  trans-76161.8-162.6-68.9-170.797.800117.4
328G37Very low40.5Very low85 Ų85154 Ų15488%0.87679%0.785SS**  trans83.8118.5140.700000118.7
329G32.6Very low41.2Very low75 Ų75153.6 Ų153.677%0.77378%0.778SS**  trans135.869.2160.100000116.9R331G329-R331 PolarHBondContact O-N 3.17Å
330M38.8Very low42.2Very low159 Ų159153.3 Ų153.378%0.78378%0.776SS**  trans-75.587.2179-164.693.16900112.6K332M330-K332 HydrophobicContact CG-CD 4.36Å; M330-K332 HydrophobicContact CG-CG 4.29Å; M330-K332 HydrophobicContact SD-CD 4.48Å
331R42.3Very low43Very low250 Ų250157.8 Ų157.894%0.94378%0.779SS**  trans-102.186.4167.1-64-152.5-156.8-115.29.6112G329 S333G329-R331 PolarHBondContact O-N 3.17Å; R331-S333 PolarHBondContact O-N 3.48Å
332K43.8Very low44.1Very low168 Ų168155.3 Ų155.373%0.7377%0.77SS**  trans-80.4113172.2-72173.9178.2172.80110.5M330 R334M330-K332 HydrophobicContact CG-CD 4.36Å; M330-K332 HydrophobicContact CG-CG 4.29Å; M330-K332 HydrophobicContact SD-CD 4.48Å; K332-R334 PolarHBondContact O-N 3.46Å
333S41.8Very low45.1Very low121 Ų121155.5 Ų155.585%0.84677%0.77SS**  trans-68.199.9168.544.70000110.2R331 S335R331-S333 PolarHBondContact O-N 3.48Å; S333-S335 PolarHBondContact O-N 3.28Å
334R49Very low46Very low241 Ų241152.3 Ų152.391%0.90977%0.765SS**  trans-66.9101.7175-77.5177.8167.4151.5-5.1110.1K332K332-R334 PolarHBondContact O-N 3.46Å
335S57.7Low46.6Very low83 Ų83156.7 Ų156.758%0.5877%0.768SS**  trans-78.2143.6166.867.20000110.4S333 N337 S338S333-S335 PolarHBondContact O-N 3.28Å; S335-N337 PolarHBondContact O-N 2.91Å; S335-S338 PolarHBondContact O-N 3.01Å; S335-S338 VanDerWaalsContact O-N 3.09Å
336L47.2Very low46.6Very low158 Ų158153.5 Ų153.583%0.82776%0.763SS**THydrogen-bonded Turntrans-59.2-23.5-171.6-70.9166.1000114S338L336-S338 VanDerWaalsContact C-N 3.27Å; L336-S338 PolarHBondContact O-N 3.32Å
337N54.1Low47.2Very low133 Ų133147.8 Ų147.871%0.71175%0.753SS**Hα-helixtrans-72-13.7179.2-71.36.7000114.3S335S335-N337 PolarHBondContact O-N 2.91Å
338S57.8Low47.1Very low70 Ų70146.3 Ų146.349%0.4975%0.75SS.*Hα-helixtrans-68.3-45.1175.9-164.50000111.4S335 L336 V340 R341 E342S335-S338 PolarHBondContact O-N 3.01Å; S335-S338 VanDerWaalsContact O-N 3.09Å; L336-S338 VanDerWaalsContact C-N 3.27Å; L336-S338 PolarHBondContact O-N 3.32Å; S338-V340 VanDerWaalsContact C-N 3.32Å; S338-V340 PolarHBondContact O-N 2.84Å; S338-R341 PolarHBondContact O-N 3.43Å; S338-R341 VanDerWaalsContact O-N 3.16Å; S338-E342 WeakPolarHBondContact O-CB 3.23Å; S338-E342 PolarHBondContact O-N 3.25Å; S338-E342 VanDerWaalsContact O-N 3.07Å
339R55.6Low46.8Very low186 Ų186150 Ų15070%0.70275%0.75SS**Hα-helixtrans-69-28.7-171.6-164.7170.9-175.6136.71.6113.1L343R339-L343 WeakPolarHBondContact O-CG 3.44Å; R339-L343 PolarHBondContact O-N 3.35Å
340V57.7Low46.9Very low101 Ų101152.5 Ų152.561%0.61276%0.756SS**Hα-helixtrans-71.3-35.7175.3178.60000111.4S338S338-V340 VanDerWaalsContact C-N 3.32Å; S338-V340 PolarHBondContact O-N 2.84Å
341R54.7Low46.6Very low208 Ų208149.3 Ų149.379%0.78576%0.755SS**Hα-helixtrans-75.8-33.4177.4-167.9179.3-66.7173.7-2.2112.2S338 Q344S338-R341 PolarHBondContact O-N 3.43Å; S338-R341 VanDerWaalsContact O-N 3.16Å; R341-Q344 PolarHBondContact O-N 3.27Å
342E54.7Low46.2Very low129 Ų129143.9 Ų143.960%0.60375%0.753SS**Hα-helixtrans-68-33.2178.7-163.2166.3-153.100112.4S338 Q344S338-E342 WeakPolarHBondContact O-CB 3.23Å; S338-E342 PolarHBondContact O-N 3.25Å; S338-E342 VanDerWaalsContact O-N 3.07Å; E342-Q344 VanDerWaalsContact C-N 3.3Å; E342-Q344 PolarHBondContact O-N 3.03Å
343L53.1Low45.4Very low145 Ų145141.8 Ų141.876%0.75976%0.76SS**THydrogen-bonded Turntrans-77.4-6.4177.3-73.4170.3000115R339R339-L343 WeakPolarHBondContact O-CG 3.44Å; R339-L343 PolarHBondContact O-N 3.35Å
344Q52.7Low45Very low165 Ų165141.7 Ų141.777%0.77176%0.759SS**THydrogen-bonded Turntrans-112.711.7-177.3-157.3157.118.500113R341 E342R341-Q344 PolarHBondContact O-N 3.27Å; E342-Q344 VanDerWaalsContact C-N 3.3Å; E342-Q344 PolarHBondContact O-N 3.03Å
345Y44.6Very low44.2Very low210 Ų210135.2 Ų135.282%0.82475%0.751SS**SBendtrans-147.234.1-179.2-141.1-91.6000113.5
346H39.4Very low43Very low174 Ų174139.7 Ų139.781%0.80676%0.763SS**  trans-139.459.2170.6-114.2-57.9000110.6
347G42.8Very low42.3Very low60 Ų60138.1 Ų138.162%0.61976%0.76SS**SBendtrans-110.5115.6156.500000107.1
348D32.7Very low41.3Very low151 Ų151140.5 Ų140.581%0.80777%0.767SS**SBendtrans75.5158.9169.9-52.3-59.2000119.3
349D29.5Very low40.2Very low163 Ų163142.2 Ų142.287%0.87278%0.779SS**  trans71.782.7175.1-57.1-35.9000120
350S35.5Very low39.4Very low127 Ų127139.6 Ų139.689%0.88878%0.784SS**  trans-154.788.5144.3167.50000111
351A32.1Very low39.6Very low92 Ų92140.2 Ų140.276%0.7679%0.79SS**  trans-139.3117.1163.900000111.7
352C32.9Very low38.4Very low136 Ų136136.1 Ų136.192%0.91979%0.788SS**  trans69.1106.5155.7-560000118.9
353S28.4Very low37.8Very low124 Ų124135.2 Ų135.287%0.86780%0.796SS**  trans-125.4112.2142.9-176.40000108.7
354S33.1Very low37.8Very low119 Ų119133.9 Ų133.983%0.83280%0.796SS**  trans-135.7143.7156.2-79.30000106.7
355S32.5Very low36.9Very low106 Ų106137.1 Ų137.174%0.74180%0.801SS**  trans-49.6154.4174.3-47.20000111.6
356E31.3Very low36.7Very low176 Ų176135.5 Ų135.582%0.82281%0.806SS**  -173153.667.749.2-152.955.400114.9
357T33.3Very low36.7Very low125 Ų125131.5 Ų131.577%0.76780%0.803SS**  trans45.9113.8159.756.50000123.2
358E33.9Very low36.4Very low183 Ų183140.5 Ų140.586%0.85582%0.818SS**  77.3144.2125.9-150.217490.100122.2
359S33.3Very low36.5Very low106 Ų106142.4 Ų142.474%0.74182%0.819SS**  trans85111.9164.7-65.50000120.4
360T38.9Very low36.7Very low132 Ų132139 Ų13981%0.8181%0.808SS**  trans-77.9179.4153.257.50000110.4
361P61.4Low36.7Very low113 Ų113141.4 Ų141.473%0.73481%0.805SS**  cis-122.6-171.6-24.231.9-13.5000111.3
362T31.2Very low37Very low122 Ų122141.5 Ų141.575%0.74880%0.801SS**  trans142.9111.8137.5-63.90000112
363S40.7Very low37Very low111 Ų111141 Ų14178%0.77680%0.797SS**  trans-73.9152.9159.4-47.40000109.7
364P53.3Low37.2Very low117 Ų117142.4 Ų142.476%0.7680%0.795SS**  -146.1157.8100.534.7-18.4000116.8
365R34.8Very low37.2Very low232 Ų232145.7 Ų145.788%0.87579%0.794SS**  trans-25.7151.9154.7-61.4168.1161.7168.3-5.8115.4
366L39.1Very low37.4Very low177 Ų177148.6 Ų148.693%0.92780%0.8SS**  -166.2155.3105.7-101.1169.2000112.5
367A39.9Very low37.7Very low89 Ų89145.2 Ų145.274%0.73680%0.796SS**  trans-103.3154.9179.600000111.3
368R37.2Very low38.5Very low250 Ų250145.6 Ų145.694%0.94380%0.801SS**  trans-145.6148.8153-147.9165.3-173.4147.71.3111.9
369K34.8Very low38.6Very low191 Ų191143.2 Ų143.283%0.8380%0.799SS**  trans-104.7169.8-168.5-58.6173.2175.9179.80111.4
370S33.3Very low38.8Very low92 Ų92144.6 Ų144.664%0.64380%0.803SS**  trans78.2128.9135.164.50000122.1
371Q34.5Very low38.6Very low176 Ų176142.8 Ų142.882%0.82280%0.802SS**  trans69.3148.7138.1-76.4162.6-54.700117.8
372S40.1Very low37.3Very low95 Ų95140.4 Ų140.466%0.66480%0.797SS**  cis161.1127-20.152.10000105.7
373C32Very low37.4Very low124 Ų124142.8 Ų142.884%0.83880%0.804SS**  trans166.6117.8141.257.50000114.7
374N32.7Very low37.1Very low154 Ų154140 Ų14082%0.82479%0.792SS**  22.9138125.8-84.2-25000123.1
375K32.8Very low36.2Very low188 Ų188143.4 Ų143.482%0.81780%0.795SS**  trans102.6102.5146-72.8167.9-179.7-176.10120.5
376L36.1Very low36.3Very low167 Ų167141.5 Ų141.587%0.87480%0.797SS**  49.8137.4122.8-58.9176.9000122.2
377S39.3Very low36Very low105 Ų105139.1 Ų139.173%0.73478%0.784SS**  trans-70.9174.2-178.6-31.30000116
378P48.7Very low35.8Very low133 Ų133140.8 Ų140.886%0.86478%0.781SS**  -133-178.3112.838.3-29.4000115.2
379T36.4Very low35.7Very low133 Ų133136.7 Ų136.782%0.81677%0.772SS**  trans-118.7168.9-163.4-64.50000112.7
380T36.7Very low35.7Very low136 Ų136135.1 Ų135.183%0.83477%0.772SS**  trans102.6147.1163.3-136.70000114.8
381A36.5Very low36.2Very low94 Ų94136.3 Ų136.378%0.77778%0.781SS**  cis-144.8-179.61.300000108.4
382G33.6Very low36.9Very low62 Ų62134.2 Ų134.264%0.63978%0.782SS**  cis164-173.33.600000111.7
383I32.8Very low36.4Very low173 Ų173133 Ų13389%0.88779%0.785SS**  trans95.6112.7173.3-51.4158.6000113.3
384G33.8Very low36.4Very low51 Ų51135.8 Ų135.853%0.52679%0.789SS.*  cis99.5132.47.100000112.2
385F35.8Very low36.7Very low190 Ų190133.4 Ų133.483%0.83379%0.785SS**  cis-149.3174.23.1-77.7-88.8000107.8
386Q36Very low37.5Very low192 Ų192130 Ų13090%0.89778%0.782SS**  -174.7-173.662.8-63.9-176.814.400109.7
387N34.1Very low37.5Very low126 Ų126132.3 Ų132.367%0.67478%0.779SS**  -161138.7-73.2-140-1.3000109.6
388N35.4Very low37.2Very low125 Ų125132.8 Ų132.867%0.66877%0.773SS**  trans22.5137.6161.7-57.7-24.3000124.2
389H35Very low36.8Very low163 Ų163131.9 Ų131.976%0.75577%0.77SS**  169.7129.7106-95.6-82.4000116.2
390L35Very low37.4Very low159 Ų159130.8 Ų130.883%0.83277%0.765SS**  trans44.1137.1143.1-56.2171.8000124.8
391S42.4Very low37.2Very low117 Ų117135.7 Ų135.782%0.81877%0.769SS**  trans-87.4-176.9176.8-200000113.4
392P50.5Low37.1Very low131 Ų131136.1 Ų136.185%0.85177%0.766SS**  cis-144.6178.428.643.3-23.1000118.5
393G28.3Very low37.3Very low70 Ų70138.7 Ų138.772%0.72277%0.774SS**  trans155.994.2158.300000120.7
394I33.5Very low38Very low182 Ų182136.2 Ų136.293%0.93377%0.769SS**  trans75.5127147.9-57.5166.2000120.7
395S37.5Very low38.1Very low105 Ų105145.4 Ų145.473%0.73479%0.788SS**  trans-63.8175.2-179.6-93.50000117.4
396P50.3Low37.9Very low115 Ų115141.4 Ų141.475%0.74779%0.79SS**  cis-126.7159.825.121.34.6000116.7
397R35.9Very low37.8Very low216 Ų216137.7 Ų137.782%0.81579%0.785SS**  60.513872.5-112.2-173.3173.8-124.30.6112.6
398N33.1Very low38.5Very low116 Ų116136.9 Ų136.962%0.6279%0.787SS**  cis-169.1148.819.2-162.351000111.4
399S39.7Very low38.3Very low113 Ų113136.6 Ų136.679%0.7979%0.793SS**  trans179.1151.9147.642.10000112.3
400P49.4Very low39.2Very low111 Ų111134 Ų13472%0.72179%0.791SS**  trans-126.5139.5-135.418.85.1000119.1
401W33.6Very low39.1Very low239 Ų239134.5 Ų134.591%0.90579%0.789SS**  87.1140.2124.3-140.6-94.2000122.6
402S33.3Very low38.5Very low102 Ų102138.1 Ų138.171%0.71379%0.785SS**  trans-122.2172-178.7-63.20000111.8
403S38.9Very low37.6Very low116 Ų116140.1 Ų140.181%0.81178%0.78SS**  trans-51.4164.4172.9-430000114.8
404P47.6Very low37.9Very low121 Ų121141.8 Ų141.879%0.78678%0.781SS**  -152.1177.2100.439.1-21.5000117.3
405R34.9Very low39Very low245 Ų245137.2 Ų137.293%0.92576%0.763SS**  trans-88.5149.2163.5-78.6173.2156.5-131.61.6111.2
406A31.1Very low38.6Very low106 Ų106140.6 Ų140.688%0.87677%0.767SS**  trans-178.7156135.200000112.8
407S33.7Very low37.9Very low113 Ų113139.2 Ų139.279%0.7976%0.76SS**  trans-108.5-165.4-175.351.60000111.2
408P48.7Very low37.6Very low110 Ų110136.7 Ų136.771%0.71476%0.757SS**  cis-151-177.39.143.7-21.7000120.6
409C32.8Very low37.5Very low119 Ų119140.4 Ų140.480%0.80477%0.767SS**  trans88161.4141.1-93.70000123.7
410P54Low37.4Very low108 Ų108140.8 Ų140.870%0.70177%0.77SS**  -142.9-155.4-122.845-22.3000117.9
411Q31.4Very low37.3Very low170 Ų170140.6 Ų140.679%0.79477%0.769SS**  trans79.3149.5175-74.7-178.6-63.600116.5
412R29.4Very low37.2Very low192 Ų192136.8 Ų136.873%0.72577%0.766SS**  cis-160.515818-142-176.4173.4-169.12112.9
413K31.5Very low37.1Very low173 Ų173139.1 Ų139.175%0.75278%0.775SS**  trans72128.9155.1-59.3-167.7178.6-177.80122.5
414S34.8Very low36.7Very low105 Ų105136.9 Ų136.973%0.73477%0.771SS**  trans-105.1-165146.658.40000108.5
415P56.8Low35.9Very low87 Ų87139.4 Ų139.457%0.56578%0.778SS**  cis-128.7-174.3-27.419.94.9000112.4
416H29.2Very low35.7Very low176 Ų176130.6 Ų130.682%0.81576%0.763SS**  160.7160.1119.6-80.5-54.2000115.2
417S36.8Very low35.7Very low85 Ų85136 Ų13659%0.59476%0.76SS**  trans-97167.1-174.243.20000114.2
418H28.5Very low35.8Very low164 Ų164137.4 Ų137.476%0.75976%0.758SS**  142.1152.7129-74.8-76000114.9
419K31Very low35.1Very low193 Ų193137.1 Ų137.184%0.83976%0.759SS**  trans84.4112.8156.2-40.2-165.1-175.1-179.80119.2
420S38.1Very low35.9Very low122 Ų122137.2 Ų137.285%0.85376%0.758SS**  trans-82.3152.8145.4-50.30000109.7
421P46.3Very low34.8Very low107 Ų107140.8 Ų140.870%0.69577%0.766SS**  -148.8138.2114.436.5-19000113.6
422L32.4Very low34.8Very low159 Ų159137.6 Ų137.683%0.83277%0.768SS**  94.2137.889.5-74.3177.6000116.7
423V32Very low35Very low150 Ų150132.2 Ų132.291%0.90977%0.773SS**  trans64.9141.6160.8178.90000116.5
424G30.2Very low35.5Very low70 Ų70135.4 Ų135.472%0.72278%0.78SS**  cis-151.8-167.7-7.700000107.2
425D31.1Very low35.8Very low174 Ų174140.9 Ų140.993%0.9378%0.784SS**  cis-166.1172.48.9-169.1-1.7000107.4
426G29.7Very low34.6Very low59 Ų59148.2 Ų148.261%0.60880%0.801SS**  trans87.383.1147.600000121.6
427R32.1Very low35.2Very low219 Ų219143.5 Ų143.583%0.82679%0.792SS**  71.5128.7125.7-95.8-170177.2-94.20.6124.1
428L34Very low34.9Very low143 Ų143146.7 Ų146.775%0.74980%0.803SS**  trans95.1106.9138.1-67.4173.4000122
429S34.8Very low35.1Very low105 Ų105148.8 Ų148.873%0.73481%0.806SS**  trans-72.1167.4146.7-127.80000110.8
430P48.8Very low35.1Very low121 Ų121144 Ų14479%0.78680%0.796SS**  cis-142.6-1714738.3-15.8000117.2
431E31Very low34.9Very low183 Ų183143.8 Ų143.886%0.85580%0.795SS**  trans-68.8157.2-167.1-60.1157.487.400117.4
432A32.5Very low34Very low103 Ų103145.8 Ų145.885%0.85180%0.8SS**  172.7153.7108.500000113.4
433G32.9Very low34Very low79 Ų79142.8 Ų142.881%0.81479%0.792SS**  trans100.8121.8159.100000117.6
434R42Very low34.1Very low240 Ų240140.1 Ų140.191%0.90678%0.78SS**  trans-136.3161168.1-73.1-173.5177.1-87.20.8110.9
435R42Very low34.2Very low219 Ų219144.2 Ų144.283%0.82679%0.785SS**  trans80.3139.3-161-47.6-165.4-153-76.51.5111.3
436W30.3Very low34.5Very low241 Ų241142.5 Ų142.591%0.91378%0.78SS**  cis-128.9-128.21.7-104.4122000111.8
437A41.8Very low35Very low77 Ų77146 Ų14664%0.63679%0.793SS**  trans-92.7156.7179.800000111.9
438D31.4Very low35.6Very low153 Ų153141.4 Ų141.482%0.81879%0.794SS**  -172.5160.576.4-99-34.7000114.8
439Y32Very low36.2Very low208 Ų208137.2 Ų137.282%0.81679%0.785SS**  trans47.8103.6151.5-109.7-113.1000124.3
440S32.5Very low37.6Very low91 Ų91135.2 Ų135.264%0.63677%0.771SS**  81.2135120.3-62.80000125.2
441S33.2Very low38.2Very low118 Ų118134 Ų13483%0.82576%0.764SS**  trans108.496.9142.6-63.90000121.7
442D28Very low39.2Very low150 Ų150135.2 Ų135.280%0.80276%0.761SS**  88.7147122.6-16046.4000122.9
443S32.8Very low41.2Very low95 Ų95134.4 Ų134.466%0.66475%0.745SS**  trans73131.6167.3-75.20000118.7
444S33.8Very low42.9Very low94 Ų94136.5 Ų136.566%0.65773%0.733SS**  cis-166.7169.4-8.567.40000113.4
445L32.1Very low44.1Very low157 Ų157134.4 Ų134.482%0.82273%0.725SS**  trans65.994.6151.7-64.8165000122.2
446T37.1Very low45.3Very low137 Ų137133.3 Ų133.384%0.8472%0.721SS**  trans-141.3140.3131.451.50000111
447P41.2Very low47Very low133 Ų133129 Ų12986%0.86471%0.709SS**  trans-98.790.3-174.736-32.3000113
448S43.2Very low47.9Very low123 Ų123132.6 Ų132.686%0.8671%0.712SS**  trans-147.464.9167.2-163.80000112.2
449G46.8Very low49.2Very low55 Ų55131 Ų13157%0.56771%0.708SS**  trans-95115174.700000111.7
450S63.7Low50.2Low62 Ų62125 Ų12543%0.43470%0.702SS.*  trans-63.5136.7173.5173.60000111.2W452 V453S450-W452 PolarHBondContact O-N 3.4Å; S450-V453 WeakPolarHBondContact O-CB 3.36Å; S450-V453 PolarHBondContact O-N 3.16Å
451P62Low50.9Low97 Ų97125.5 Ų125.563%0.6371%0.705SS**Hα-helixtrans-55.4-25.9-176.5-28.234.8000115R455P451-R455 PolarHBondContact O-N 3.26Å
452W51.3Low51.3Low208 Ų208128.6 Ų128.679%0.78871%0.706SS**Hα-helixtrans-71.2-29.1177.7-7273.4000113S450 R456S450-W452 PolarHBondContact O-N 3.4Å; W452-R456 PolarHBondContact O-N 3.16Å
453V75.2Confident51.7Low86 Ų86130 Ų13052%0.52171%0.708SS.*Hα-helixtrans-74.8-41.6178.4-179.10000110.4S450 R456 K457S450-V453 WeakPolarHBondContact O-CB 3.36Å; S450-V453 PolarHBondContact O-N 3.16Å; V453-R456 PolarHBondContact O-N 3.07Å; V453-K457 PolarHBondContact O-N 2.95Å
454Q67.9Low52Low123 Ų123130.9 Ų130.958%0.57571%0.714SS**Hα-helixtrans-62.2-44.9174.4-85.4164.8-49.200112.2R456 K457 Q458Q454-R456 VanDerWaalsContact C-N 3.28Å; Q454-R456 PolarHBondContact O-N 3.3Å; Q454-K457 PolarHBondContact O-N 3.17Å; Q454-Q458 PolarHBondContact O-N 2.91Å
455R68.8Low52.2Low196 Ų196131.9 Ų131.974%0.7472%0.721SS**Hα-helixtrans-61.3-36.3176.8-172.3173.2-68.9-108.1-1.2112.4P451P451-R455 PolarHBondContact O-N 3.26Å
456R66.6Low53Low196 Ų196130.2 Ų130.274%0.7472%0.72SS**Hα-helixtrans-72.2-38.2177.1-159.2-178.9-62.1-170.80.5112.4W452 V453 Q454 V459W452-R456 PolarHBondContact O-N 3.16Å; V453-R456 PolarHBondContact O-N 3.07Å; Q454-R456 VanDerWaalsContact C-N 3.28Å; Q454-R456 PolarHBondContact O-N 3.3Å; R456-V459 PolarHBondContact O-N 2.93Å
457K65.8Low52.9Low151 Ų151131.1 Ų131.166%0.65773%0.725SS**Hα-helixtrans-62-43.7174.1-86.3-168.5167.8-170.60112.5V453 Q454 V459 A460 S461V453-K457 PolarHBondContact O-N 2.95Å; Q454-K457 PolarHBondContact O-N 3.17Å; K457-V459 PolarHBondContact O-N 2.77Å; K457-A460 PolarHBondContact O-N 3.31Å; K457-S461 PolarHBondContact O-N 3.5Å; K457-S461 PolarHBondContact O-OG 2.7Å
458Q61.7Low52.3Low151 Ų151127.9 Ų127.971%0.70672%0.716SS**Hα-helixtrans-64.3-23.4-177.6-74.7-177.7-17.900114.5Q454Q454-Q458 PolarHBondContact O-N 2.91Å
459V58.6Low52.2Low119 Ų119128.1 Ų128.172%0.72172%0.717SS**Hα-helixtrans-82-22.6175.3-177.70000111.9R456 K457R456-V459 PolarHBondContact O-N 2.93Å; K457-V459 PolarHBondContact O-N 2.77Å
460A51.8Low52.1Low83 Ų83131.5 Ų131.569%0.68673%0.729SS**THydrogen-bonded Turntrans-92.62.2-179.500000114.1K457K457-A460 PolarHBondContact O-N 3.31Å
461S48Very low50.8Low101 Ų101136.4 Ų136.471%0.70675%0.747SS**THydrogen-bonded Turntrans-109.313.5-179-56.60000113.9K457K457-S461 PolarHBondContact O-N 3.5Å; K457-S461 PolarHBondContact O-OG 2.7Å
462Q41.6Very low49.9Very low183 Ų183139.2 Ų139.286%0.85576%0.756SS**  trans-109.479.9165.5-70.9-164.22800109.8
463E36.4Very low49.5Very low181 Ų181132.6 Ų132.685%0.84675%0.752SS**  trans-122.999.8160.7-167.7178.8144.600109.2
464S38.7Very low47.9Very low113 Ų113140.1 Ų140.179%0.7977%0.771SS**  trans-15184.1153.652.40000109.1
465S38.6Very low46.7Very low114 Ų114141.9 Ų141.980%0.79778%0.777SS**  trans-64.1149.6161.3-62.90000109.7
466P47.2Very low45.5Very low123 Ų123140.9 Ų140.980%0.79979%0.785SS**  trans-116.2158.8130.433.6-32000111.9
467V36.9Very low44.6Very low156 Ų156137.5 Ų137.595%0.94578%0.777SS**  trans-67150.2-174.675.20000112.6
468G28.6Very low43.1Very low65 Ų65137.3 Ų137.367%0.6778%0.783SS**  trans152.7107.8165.800000114.7
469S40.4Very low42.2Very low128 Ų128134.4 Ų134.490%0.89579%0.785SS**  trans-79.2139.5159.2-66.20000109.6
470P44.6Very low42Very low125 Ų125135.3 Ų135.381%0.81279%0.786SS**  trans-137.6163.8133.434.2-20.6000113.8
471M35.4Very low42.2Very low165 Ų165135.4 Ų135.481%0.81380%0.795SS**  trans-84.9165.8-171.5-58.6-174.87500114.4
472L44.6Very low42.8Very low156 Ų156133.9 Ų133.982%0.81778%0.779SS**  trans47.491.2144.3-74.3165.7000118.5
473G42.6Very low43.8Very low69 Ų69129 Ų12971%0.71176%0.763SS**  82.7123.1123.300000118.9
474R40.3Very low44.7Very low244 Ų244127 Ų12792%0.92177%0.766SS**  trans-165.9114.9137.1-104.6150.2-167.9-124.22.7112.5
475K42.8Very low45.8Very low160 Ų160125.5 Ų125.570%0.69677%0.768SS**  38.490.2127.8-165179.2-177.2-173.40116.4Q477K475-Q477 HydrophobicContact CD-CG 4.41Å; K475-Q477 HydrophobicContact CG-CG 4.17Å; K475-Q477 PolarHBondContact O-N 3.38Å
476I44.9Very low46.8Very low175 Ų175123 Ų12390%0.89775%0.748SS**  trans-65.2113163.7-60.3172.4000108.2
477Q46.5Very low47.4Very low125 Ų125125.9 Ų125.958%0.58475%0.753SS**  trans-108.3118.5166.6-83.9167.9107.400108.5K475K475-Q477 HydrophobicContact CD-CG 4.41Å; K475-Q477 HydrophobicContact CG-CG 4.17Å; K475-Q477 PolarHBondContact O-N 3.38Å
478N35.3Very low48.5Very low147 Ų147127.6 Ų127.679%0.78674%0.742SS**SBendtrans67.8116.2154.9-52-31000119.4
479A42.7Very low50.1Low90 Ų90130 Ų13074%0.74474%0.739SS**SBendtrans57131.1146.100000122.2
480D54.4Low50.9Low139 Ų139129.5 Ų129.574%0.74373%0.733SS**  trans70.227.7151.5-58.6-15.8000120.8L482D480-L482 PolarHBondContact O-N 2.89Å
481G56.8Low51.5Low85 Ų85131.3 Ų131.388%0.87672%0.724SS**  trans-72.949151.600000113.9
482L58.8Low52.9Low68 Ų68125 Ų12536%0.35670%0.701SS.*PPolyproline II helixtrans-97.9133.1-179.8-73.4172.3000111.9D480 L489D480-L482 PolarHBondContact O-N 2.89Å; L482-L489 HydrophobicContact CD2-CG 4.25Å
483P62.6Low53.7Low81 Ų81124 Ų12453%0.52670%0.704SS.*PPolyproline II helixtrans-68.6146.8178.527.8-33.7000111.6G485 V486P483-G485 PolarHBondContact O-N 3.23Å; P483-V486 HydrophobicContact CG-CB 4.26Å; P483-V486 HydrophobicContact CG-CG2 4.04Å; P483-V486 PolarHBondContact O-N 2.98Å; P483-V486 VanDerWaalsContact O-N 3.13Å
484P55.2Low54.6Low139 Ų139127.6 Ų127.690%0.90371%0.706SS**THydrogen-bonded Turntrans-53.6126.1-175.1-27.835000113.2
485G62.5Low55.7Low81 Ų81117.4 Ų117.484%0.83568%0.677SS**THydrogen-bonded Turntrans96-5.3-179.500000115.7P483P483-G485 PolarHBondContact O-N 3.23Å
486V60.5Low56.8Low61 Ų61113.3 Ų113.337%0.3767%0.666SS.*  trans-104.891.9177.2-176.30000110.6P483 R488P483-V486 HydrophobicContact CG-CB 4.26Å; P483-V486 HydrophobicContact CG-CG2 4.04Å; P483-V486 PolarHBondContact O-N 2.98Å; P483-V486 VanDerWaalsContact O-N 3.13Å; V486-R488 VanDerWaalsContact C-N 3.26Å; V486-R488 WeakPolarHBondContact CG1-O 3.47Å; V486-R488 PolarHBondContact O-N 3Å
487M59Low57Low185 Ų185114.9 Ų114.991%0.91166%0.661SS**SBendtrans-71.7-14.3179.9-66.1-177.872.700114.6
488R59.8Low57.5Low192 Ų192111.3 Ų111.373%0.72566%0.658SS**SBendtrans-163.3145.6172.853.8179.8175.3164.5-2.2110.9V486V486-R488 VanDerWaalsContact C-N 3.26Å; V486-R488 WeakPolarHBondContact CG1-O 3.47Å; V486-R488 PolarHBondContact O-N 3Å
489L63.1Low58.1Low116 Ų116113.7 Ų113.761%0.60766%0.661SS**  trans-68.3154.2168-73.3163.9000110.4L482 R491L482-L489 HydrophobicContact CD2-CG 4.25Å; L489-R491 PolarHBondContact O-N 3.25Å
490P56.8Low58.1Low117 Ų117116.3 Ų116.376%0.7666%0.658SS**SBendtrans-75.419-178.132-37.4000114.6
491R56.9Low57.3Low163 Ų163113.3 Ų113.362%0.61566%0.66SS**BIsolated β-bridgetrans-111.7142.5172.3-73-178.1179.7-120.613.2109.1L489 G495 T496 R497L489-R491 PolarHBondContact O-N 3.25Å; R491-G495 WeakPolarHBondContact CD-O 3.43Å; R491-G495 PolarHBondContact NH1-O 3.31Å; R491-T496 VanDerWaalsContact CA-O 3.31Å; R491-T496 WeakPolarHBondContact CA-O 3.45Å; R491-R497 HydrophobicContact CG-CG 4.37Å
492G64.2Low56.3Low33 Ų33115.6 Ų115.634%0.3466%0.657SS.*  trans-65.9168.9167.500000111.7D494 G495 T496G492-D494 PolarHBondContact O-N 3.5Å; G492-D494 VanDerWaalsContact O-N 3.15Å; G492-G495 PolarHBondContact O-N 3.3Å; G492-T496 PolarHBondContact N-O 3.45Å
493P62.2Low55.2Low135 Ų135118.6 Ų118.688%0.87768%0.678SS**THydrogen-bonded Turntrans-55.8-28.7175.322.9-32.9000112.9G495P493-G495 VanDerWaalsContact C-N 3.25Å; P493-G495 PolarHBondContact O-N 3.35Å
494D62.3Low54.4Low143 Ų143121.6 Ų121.677%0.76569%0.694SS**THydrogen-bonded Turntrans-85.713.5176.6-45.9-49.2000113.7G492 T496G492-D494 PolarHBondContact O-N 3.5Å; G492-D494 VanDerWaalsContact O-N 3.15Å; D494-T496 PolarHBondContact O-N 3.04Å; D494-T496 VanDerWaalsContact O-N 3.14Å
495G62.8Low53.6Low30 Ų30119 Ų11931%0.30968%0.684SS.*SBendtrans75-3.9175.700000116.2R491 G492 P493R491-G495 WeakPolarHBondContact CD-O 3.43Å; R491-G495 PolarHBondContact NH1-O 3.31Å; G492-G495 PolarHBondContact O-N 3.3Å; P493-G495 VanDerWaalsContact C-N 3.25Å; P493-G495 PolarHBondContact O-N 3.35Å
496T66.3Low52.3Low75 Ų75124.1 Ų124.146%0.4669%0.687SS.*  trans-74.7153.8179.857.40000112.8R491 G492 D494R491-T496 VanDerWaalsContact CA-O 3.31Å; R491-T496 WeakPolarHBondContact CA-O 3.45Å; G492-T496 PolarHBondContact N-O 3.45Å; D494-T496 PolarHBondContact O-N 3.04Å; D494-T496 VanDerWaalsContact O-N 3.14Å
497R48.9Very low51.1Low207 Ų207133.8 Ų133.878%0.78172%0.717SS**BIsolated β-bridgetrans-100.6113.1179.7-70.8176.769.8-166.82.6111R491R491-R497 HydrophobicContact CG-CG 4.37Å
498G56.9Low49.9Very low51 Ų51127.7 Ų127.753%0.52670%0.701SS.*SBendtrans87163.9166.100000116.2H500G498-H500 PolarHBondContact O-CE1 3.06Å; G498-H500 PolarHBondContact O-N 3.21Å; G498-H500 PolarHBondContact O-ND1 3.25Å
499F46.5Very low48.8Very low196 Ų196128.2 Ų128.286%0.8671%0.709SS**  trans-75.9120.4-178.1-69.6-88.7000111.4
500H43.3Very low47.7Very low145 Ų145129.8 Ų129.867%0.67172%0.723SS**  trans-98.2109.9174.2-61.242.9000107.3G498 V502G498-H500 PolarHBondContact O-CE1 3.06Å; G498-H500 PolarHBondContact O-N 3.21Å; G498-H500 PolarHBondContact O-ND1 3.25Å; H500-V502 PolarHBondContact O-N 3.17Å
501G38.2Very low46.8Very low76 Ų76128.8 Ų128.878%0.78473%0.725SS**  trans-70.4114.3176.200000110.2T503G501-T503 PolarHBondContact O-N 3.23Å; G501-T503 VanDerWaalsContact O-N 3.1Å
502V35.6Very low46Very low134 Ų134126 Ų12681%0.81274%0.737SS**  trans-69.1106.2179.5178.30000109.6H500 V504H500-V502 PolarHBondContact O-N 3.17Å; V502-V504 PolarHBondContact O-N 3.19Å
503T36.5Very low45.1Very low130 Ų130130.6 Ų130.680%0.79876%0.758SS**  trans-77115.216548.80000109.1G501 A505G501-T503 PolarHBondContact O-N 3.23Å; G501-T503 VanDerWaalsContact O-N 3.1Å; T503-A505 PolarHBondContact O-N 3.43Å; T503-A505 VanDerWaalsContact O-N 3.13Å
504V44.2Very low44Very low144 Ų144132.6 Ų132.687%0.87376%0.756SS**  trans-70.2104175.2177.50000109.7V502V502-V504 PolarHBondContact O-N 3.19Å
505A38.9Very low43.1Very low84 Ų84135.8 Ų135.869%0.69478%0.781SS**  trans-155.3145.5163.200000110T503T503-A505 PolarHBondContact O-N 3.43Å; T503-A505 VanDerWaalsContact O-N 3.13Å
506E36Very low42.1Very low189 Ų189141.1 Ų141.188%0.88380%0.804SS**  trans52.189.2173.9-65.3-146.893.400118.5
507R35Very low40.8Very low265 Ų265144.5 Ų144.5100%182%0.822SS**  trans-96.472.6150.2-156.5-180-162.1-164.55.3109.6
508G33Very low40.4Very low57 Ų57141.1 Ų141.159%0.58883%0.825SS**  trans-102.1109.7179.500000112.9
509K37.3Very low39.4Very low203 Ų203146.4 Ų146.488%0.88384%0.842SS**  trans22.5115.7154.4-61.6170.1178.4174.40118.9
510T39.8Very low39Very low149 Ų149143.3 Ų143.391%0.91484%0.841SS**  -158.4141.111240.70000109.8
511A37.8Very low38.7Very low96 Ų96143.1 Ų143.179%0.79385%0.853SS**  trans-97.5150.9173.100000110.8
512A40.7Very low38.7Very low105 Ų105147.9 Ų147.987%0.86886%0.857SS**  trans-145.4138156.600000108
513T45.8Very low39Very low128 Ų128149 Ų14979%0.78586%0.861SS**  trans-120167-168.7-44.90000109.5
514Q38.9Very low39.2Very low178 Ų178150.6 Ų150.683%0.83287%0.866SS**  trans79.6139174.6-56.2178-7.800114.2
515T42.4Very low38.7Very low209 Ų209151.2 Ų151.2100%1.28287%0.866SS**  cis-143.105.4-12.30000110.3

Retrieved 515 of 515 residues in 62.2 ms (Link to these results)