A0A093HYU3_STRCA Loading...

Krueppel-like factor 13

AlphaFold DB , UniProt , Accession A0A093HYU3, Species STRCA (Struthio camelus australis), Gene n/a, Length 277 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
1M40.8Very low39Very low244 Ų244148.4 Ų148.4100%1.20285%0.847SS**  0130.70-75-162.5154.600108.5
2A38Very low38.6Very low89 Ų89143.1 Ų143.174%0.73684%0.835SS**  trans58.196.917100000117.8
3T44.1Very low38.6Very low142 Ų142146.2 Ų146.287%0.87184%0.836SS**  65.6106.477.864.10000116.6
4A42.8Very low38.1Very low108 Ų108144 Ų14489%0.89383%0.833SS**  trans-163.8102.9135.900000109.6
5A44.5Very low38.1Very low100 Ų100146.2 Ų146.283%0.82684%0.839SS**  trans-98.1135.7168.500000108.3
6Y37Very low38.3Very low232 Ų232146.2 Ų146.291%0.9184%0.842SS**  trans-144.596.3165.3-164-96.4000109.1
7V41.1Very low38Very low124 Ų124144.5 Ų144.575%0.75284%0.84SS**  trans-144.2134163.7-128.80000108.6
8D40.6Very low37.8Very low142 Ų142145.7 Ų145.776%0.75984%0.839SS**  trans58.9120.8153.1-61.4-35.9000122.6
9H35.8Very low37.5Very low175 Ų175143.7 Ų143.781%0.8184%0.835SS**  172.7116.8126.1-122.2-96.9000108.6
10F30.9Very low37.5Very low187 Ų187142.7 Ų142.782%0.8284%0.836SS**  53.7120.867.8-133.3-85.8000115.9
11A33Very low37.5Very low89 Ų89146.7 Ų146.774%0.73684%0.837SS**  trans73.1151.716800000117.1
12A34.9Very low37Very low85 Ų85140.1 Ų140.170%0.70282%0.821SS**  cis-176.2160.9-19.800000106.2
13E37.9Very low37.1Very low183 Ų183142.7 Ų142.786%0.85582%0.821SS**  trans78.1122.2153.1-64.1-166.115600123.7
14C32.3Very low36.6Very low116 Ų116143 Ų14378%0.78482%0.816SS**  26.3114.8124.1-71.80000119.7
15L38.2Very low36.1Very low177 Ų177145.8 Ų145.893%0.92781%0.81SS**  trans-150.5110131-77.3-175.1000109.8S17L15-S17 PolarHBondContact O-N 3.25Å
16V40.5Very low35.7Very low146 Ų146146.3 Ų146.389%0.88581%0.808SS**PPolyproline II helixtrans-72.6122165.6173.70000107.6M18V16-M18 PolarHBondContact O-N 3.1Å
17S33.8Very low36.2Very low117 Ų117141 Ų14182%0.81880%0.802SS**PPolyproline II helixtrans-64.5125.3175.2-178.60000110.8L15L15-S17 PolarHBondContact O-N 3.25Å
18M34Very low36Very low167 Ų167145.2 Ų145.282%0.82381%0.81SS**PPolyproline II helixtrans-82.2159.3166.2-69.6-151.475.600111.5V16V16-M18 PolarHBondContact O-N 3.1Å
19S32.6Very low35.4Very low108 Ų108141.3 Ų141.376%0.75580%0.803SS**  trans109.8109.2156.9-144.90000113.1
20S36.2Very low35.1Very low122 Ų122142.1 Ų142.185%0.85381%0.808SS**  -149.2134.174.9-63.60000113.4
21R37.6Very low35.2Very low228 Ų228138.2 Ų138.286%0.8680%0.803SS**  trans-87.8145.9167.9-83175.9167.5149.5-4.1110.2
22A31.9Very low35Very low106 Ų106141.1 Ų141.188%0.87681%0.807SS**  trans-129.7127.9148.700000108.4
23I39.7Very low34.9Very low142 Ų142142.2 Ų142.273%0.72881%0.809SS**  trans-98.6145.1175.8-65.7171.3000106.9
24I33.5Very low34.6Very low148 Ų148142.1 Ų142.176%0.75981%0.809SS**  trans-170.5113.4132.3-77-135000109.8
25H32.3Very low34.7Very low168 Ų168144.8 Ų144.878%0.77881%0.814SS**  trans69.5122.5145.7-68.1-111.2000123.9
26S35.9Very low34.3Very low110 Ų110143.8 Ų143.877%0.76981%0.81SS**  trans-87164154.9-55.20000111.6
27P47.8Very low33.8Very low122 Ų122140.5 Ų140.579%0.79281%0.805SS**  -142.5135.996.233.9-16.9000113.3
28K35.9Very low33.6Very low212 Ų212139.7 Ų139.792%0.92281%0.805SS**  84.7124.884.9-152.5179.4-171.8-177.90114.9
29G29.2Very low33.8Very low60 Ų60139.2 Ų139.262%0.61980%0.804SS**  trans149.393.5171.300000109.3
30E29.1Very low34.1Very low192 Ų192139.4 Ų139.490%0.89780%0.803SS**  58.1126.697.1-65-179.5146.800111.6
31S32.3Very low33.8Very low105 Ų105139.3 Ų139.373%0.73480%0.798SS**  cis-165.9159.613.442.70000109.6
32D29.7Very low33.6Very low150 Ų150133.8 Ų133.880%0.80279%0.794SS**  trans17.9127150.8-58.2-50.5000121.6
33S33.6Very low33.7Very low107 Ų107134.4 Ų134.475%0.74879%0.792SS**  146.9108.9106.456.50000113.7
34Q30.1Very low33.2Very low182 Ų182135.3 Ų135.385%0.8580%0.798SS**  38.597.4127.4-153.1161.7-2200117.9
35L34.5Very low33.1Very low172 Ų172132 Ų13290%0.90180%0.8SS**  trans-91.1113.6161.8-72.6168.9000109.4
36D29.6Very low33.2Very low156 Ų156132.4 Ų132.483%0.83480%0.802SS**  trans-145.5127.2154.8-99.7-44.5000110.1
37G31.1Very low33Very low76 Ų76134 Ų13478%0.78480%0.803SS**  trans88107.1153.600000117.5
38A29.4Very low32.5Very low100 Ų100137.9 Ų137.983%0.82681%0.807SS**  162.4134.8105.100000112
39I38.3Very low32.5Very low157 Ų157139.5 Ų139.581%0.80581%0.807SS**  trans-69.6146.3162.1-61.2164.1000108.3
40P39.1Very low32.5Very low113 Ų113145.3 Ų145.373%0.73482%0.818SS**  -140.1132.2117.621.30.1000115.1
41T30.3Very low32.8Very low120 Ų120142.7 Ų142.774%0.73682%0.815SS**  trans17.9126.7130.858.30000121.4
42S32.3Very low32.7Very low112 Ų112148.7 Ų148.778%0.78382%0.822SS**  trans33.1122.8130.8-168.90000120
43S33.2Very low32.9Very low119 Ų119149.4 Ų149.483%0.83282%0.82SS**  trans-149.9140.6134.853.50000111.2
44N30.6Very low33.3Very low161 Ų161150 Ų15086%0.86182%0.822SS**  trans-68.5151172.8-68.4-42.6000110.8
45G31.7Very low33.3Very low77 Ų77145.2 Ų145.279%0.79482%0.821SS**  trans-164111.4167.500000110.1
46E33.3Very low33.3Very low177 Ų177145.8 Ų145.883%0.82782%0.816SS**  trans-76.8162.1-175.7-63.1168120.900112.8
47D32.3Very low33.5Very low145 Ų145145.3 Ų145.378%0.77581%0.813SS**  trans66.5110.6148.1-78-26000120.8
48K36.1Very low33.6Very low203 Ų203148 Ų14888%0.88381%0.81SS**  179.3135.898.4-96.7164.5-1721780112.5
49R35.8Very low33.5Very low245 Ų245146.7 Ų146.793%0.92581%0.806SS**  trans-65.6138.4163.9-61.9174-166.2165.74.7109.3
50E30.9Very low33.3Very low183 Ų183145.2 Ų145.286%0.85581%0.809SS**  trans-145.2125.2142.8-161.6166.8133.300109.7
51V33.6Very low33Very low137 Ų137145.5 Ų145.583%0.8381%0.814SS**  trans-99.8124.2172.5167.20000106.4
52R30.6Very low33.2Very low230 Ų230147.6 Ų147.687%0.86882%0.82SS**  trans-161.2113152.8-150.8169.8175.3105-0.1112.3
53E33.6Very low33Very low166 Ų166151.6 Ų151.678%0.77682%0.824SS**  trans-88.7-176.4156.6-69.9-77.2149.300108.7
54P42.3Very low33.1Very low120 Ų120152.1 Ų152.178%0.77982%0.822SS**  -126.3172.6-51.132.9-16000111.3
55G30.9Very low33.1Very low80 Ų80150.2 Ų150.283%0.82582%0.815SS**  trans-144.6138.7173.700000111.8
56K34.8Very low33.1Very low185 Ų185151.3 Ų151.380%0.80482%0.817SS**  trans-129.2133.5-161.2170.7167.4-178.4170.20110.7
57D34Very low33.2Very low146 Ų146147.7 Ų147.778%0.78181%0.811SS**  trans-161.1108.3159.448.6-11.9000108.6
58N32.3Very low33.4Very low132 Ų132149 Ų14971%0.70682%0.817SS**  74.812471.2-54.4-0.3000113
59G28.6Very low33.3Very low72 Ų72147 Ų14774%0.74281%0.814SS**  trans-53.6173-169.900000116.8
60S33Very low33.4Very low126 Ų126139.2 Ų139.288%0.88180%0.803SS**  -178144.965.8-54.10000108.5
61S32.9Very low33.8Very low119 Ų119137.5 Ų137.583%0.83280%0.799SS**  178107127.7-162.90000110.1
62L34Very low34.1Very low164 Ų164138.8 Ų138.886%0.85980%0.801SS**  trans-86.7165.8163.6-82.3164.5000109.4
63F28.7Very low34.7Very low197 Ų197134.5 Ų134.586%0.86480%0.795SS**  trans80.2114.9-177.5-89.5-110.7000113
64V35.1Very low35.3Very low130 Ų130134.3 Ų134.379%0.78879%0.794SS**SBend-160.3124.258.5176.20000105
65V31Very low35Very low120 Ų120136.8 Ų136.873%0.72780%0.795SS**  -166.612567.5173.50000107.1
66A31.4Very low35.6Very low100 Ų100139.1 Ų139.183%0.82679%0.793SS**  trans-98.2112.9157.700000107.9
67S35.1Very low35.5Very low101 Ų101135.2 Ų135.271%0.70679%0.787SS**  trans-176.694.7164.2-77.20000105
68I37.7Very low35.4Very low174 Ų174135 Ų13589%0.89279%0.785SS**  -154.6134.589.6-75.8146.8000109
69L33.5Very low35.4Very low159 Ų159133.9 Ų133.983%0.83279%0.788SS**  trans-52.3137.7176.3-63.6160.4000112.2
70A36.9Very low35.7Very low82 Ų82136.2 Ų136.268%0.67879%0.79SS**  61.9124.175.700000115
71D40.5Very low35.7Very low147 Ų147134.5 Ų134.579%0.78678%0.783SS**  trans80.9106.8163.9-66.4-38.7000121
72L39.8Very low35.7Very low165 Ų165136 Ų13686%0.86478%0.781SS**  -163.5109.295.1-95.4162.2000111.3
73N43.5Very low35.7Very low140 Ų140137.4 Ų137.475%0.74978%0.775SS**  trans-70.1119.3161.5176.929.4000109.5
74Q46.2Very low36.2Very low162 Ų162137.3 Ų137.376%0.75778%0.779SS**  trans-179.396150.6-101161.450.300111.7
75H35.3Very low36.3Very low172 Ų172137.6 Ų137.680%0.79677%0.772SS**  trans157.894132.8-90-58.5000110.8
76V43.4Very low36.1Very low129 Ų129139.8 Ų139.878%0.78277%0.772SS**  trans-75.6135.5146.9176.60000106.6
77P33.4Very low36.1Very low103 Ų103142 Ų14267%0.66978%0.775SS**  -131.2124.511930-17.3000112.3
78N30.8Very low36.2Very low140 Ų140142.5 Ų142.575%0.74977%0.767SS**  trans64.688.3142.3-59.7-45.2000118.5
79S32.2Very low36.1Very low110 Ų110140.6 Ų140.677%0.76976%0.763SS**  trans-51.6132138.7-920000110.3A81S79-A81 PolarHBondContact O-N 3.42Å
80P35.9Very low36.4Very low121 Ų121137.5 Ų137.579%0.78674%0.743SS**  trans-77.980.4160.231-28.1000108.6L82P80-L82 VanDerWaalsContact C-N 3.28Å; P80-L82 PolarHBondContact O-N 2.97Å; P80-L82 VanDerWaalsContact O-N 3.17Å
81A32.6Very low37Very low89 Ų89138.1 Ų138.174%0.73674%0.735SS**  trans-70.491.9149.200000107.2S79S79-A81 PolarHBondContact O-N 3.42Å
82L32.6Very low37.8Very low150 Ų150131.7 Ų131.779%0.78570%0.701SS**  trans-118.989.1164.5-73.3-180000109.8P80P80-L82 VanDerWaalsContact C-N 3.28Å; P80-L82 PolarHBondContact O-N 2.97Å; P80-L82 VanDerWaalsContact O-N 3.17Å
83R33.3Very low38.4Very low195 Ų195127 Ų12774%0.73668%0.679SS**  57.195.1117.6-150.8174.6-177.6132.82.8115.1E85R83-E85 VanDerWaalsContact C-N 3.26Å; R83-E85 HydrophobicContact CG-CB 4.34Å; R83-E85 HydrophobicContact CG-CG 4.11Å; R83-E85 IonicContact CZ-OE2 3.1Å; R83-E85 IonicContact NE-OE2 3.34Å; R83-E85 PolarHBondContact NE-OE2 3.29Å; R83-E85 IonicContact NH2-OE2 2.96Å; R83-E85 PolarHBondContact NH2-OE2 2.67Å; R83-E85 PolarHBondContact O-N 2.96Å
84M39.3Very low38.7Very low194 Ų194126.2 Ų126.296%0.95667%0.671SS**  trans-62.183.5156-63.1-155.4-55.300110.3
85E37.4Very low39.2Very low137 Ų137122 Ų12264%0.6465%0.651SS**  trans-146.482.7165.7-69.8-157.6124.100111.1R83R83-E85 VanDerWaalsContact C-N 3.26Å; R83-E85 HydrophobicContact CG-CB 4.34Å; R83-E85 HydrophobicContact CG-CG 4.11Å; R83-E85 IonicContact CZ-OE2 3.1Å; R83-E85 IonicContact NE-OE2 3.34Å; R83-E85 PolarHBondContact NE-OE2 3.29Å; R83-E85 IonicContact NH2-OE2 2.96Å; R83-E85 PolarHBondContact NH2-OE2 2.67Å; R83-E85 PolarHBondContact O-N 2.96Å
86K26.4Very low40.2Very low165 Ų165114.5 Ų114.572%0.71762%0.617SS**  trans-171110.6134-141.7164.7169.5-165.30109.1E88K86-E88 HydrophobicContact CB-CG 3.9Å; K86-E88 HydrophobicContact CD-CG 3.54Å; K86-E88 VanDerWaalsContact CD-OE1 3.26Å; K86-E88 WeakPolarHBondContact CD-OE1 3.44Å; K86-E88 WeakPolarHBondContact CE-OE1 3.22Å; K86-E88 HydrophobicContact CG-CG 3.56Å; K86-E88 IonicContact NZ-OE1 2.68Å; K86-E88 PolarHBondContact NZ-OE1 3.5Å; K86-E88 PolarHBondContact O-N 2.74Å
87T32.8Very low40.6Very low146 Ų146115 Ų11590%0.89661%0.61SS**  trans-70.267.8156.3430000108T89T87-T89 PolarHBondContact O-N 2.93Å; T87-T89 VanDerWaalsContact O-N 3.12Å
88E35.8Very low41.4Very low113 Ų113117.3 Ų117.353%0.52862%0.615SS.*  trans-66.2111.1157.9-65.2-165.8157.300105.1K86 F90K86-E88 HydrophobicContact CB-CG 3.9Å; K86-E88 HydrophobicContact CD-CG 3.54Å; K86-E88 VanDerWaalsContact CD-OE1 3.26Å; K86-E88 WeakPolarHBondContact CD-OE1 3.44Å; K86-E88 WeakPolarHBondContact CE-OE1 3.22Å; K86-E88 HydrophobicContact CG-CG 3.56Å; K86-E88 IonicContact NZ-OE1 2.68Å; K86-E88 PolarHBondContact NZ-OE1 3.5Å; K86-E88 PolarHBondContact O-N 2.74Å; E88-F90 PolarHBondContact O-N 3.22Å
89T37Very low42.3Very low133 Ų133112.4 Ų112.482%0.81659%0.592SS**  trans-61.184.2158.748.80000106.1T87 D91T87-T89 PolarHBondContact O-N 2.93Å; T87-T89 VanDerWaalsContact O-N 3.12Å; T89-D91 PolarHBondContact O-N 2.96Å
90F39.6Very low43.2Very low94 Ų94110 Ų11041%0.41257%0.57SS.*  trans-65.6103.9179.9-166.9-78000106.3E88 I92 Q95E88-F90 PolarHBondContact O-N 3.22Å; F90-I92 PolarHBondContact O-N 2.93Å; F90-Q95 HydrophobicContact CD1-CG 4.39Å; F90-Q95 HydrophobicContact CE1-CB 3.82Å; F90-Q95 HydrophobicContact CE1-CG 3.33Å; F90-Q95 HydrophobicContact CZ-CG 3.71Å
91D48.8Very low43.7Very low96 Ų96108.4 Ų108.451%0.51357%0.567SS.*  trans-69.5109.6-174.4-149-23000108.2T89 T93 E94T89-D91 PolarHBondContact O-N 2.96Å; D91-T93 VanDerWaalsContact CG-OG1 3.23Å; D91-T93 PolarHBondContact O-N 3.18Å; D91-T93 PolarHBondContact OD1-OG1 3.12Å; D91-T93 VanDerWaalsContact OD1-OG1 3.04Å; D91-E94 PolarHBondContact O-N 3.32Å
92I57.2Low44.6Very low12 Ų12107.4 Ų107.46%0.06255%0.553CS.*Hα-helixtrans-52.1-24-175.9-63.7159.2000111.5F90 E94 I96 R207 E212F90-I92 PolarHBondContact O-N 2.93Å; I92-E94 VanDerWaalsContact C-N 3.32Å; I92-E94 PolarHBondContact O-N 3.02Å; I92-I96 HydrophobicContact CG2-CD1 3.46Å; I92-I96 VanDerWaalsContact CG2-CD1 3.46Å; I92-I96 HydrophobicContact CG2-CG1 4.21Å; I92-I96 WeakPolarHBondContact O-CD1 3.07Å; I92-I96 WeakPolarHBondContact O-CG1 3.47Å; I92-I96 PolarHBondContact O-N 3.35Å; I92-R207 HydrophobicContact CD1-CG 3.83Å; I92-E212 WeakPolarHBondContact CD1-OE2 3.43Å
93T52Low45.4Very low66 Ų66109.4 Ų109.441%0.40556%0.555SS.*Hα-helixtrans-59-36172.930.30000113.9D91 I96 H97D91-T93 VanDerWaalsContact CG-OG1 3.23Å; D91-T93 PolarHBondContact O-N 3.18Å; D91-T93 PolarHBondContact OD1-OG1 3.12Å; D91-T93 VanDerWaalsContact OD1-OG1 3.04Å; T93-I96 PolarHBondContact O-N 3.47Å; T93-H97 PolarHBondContact O-CD2 3.47Å; T93-H97 PolarHBondContact O-N 3.09Å
94E50.8Low45.6Very low123 Ų123108.3 Ų108.358%0.57556%0.559SS**Hα-helixtrans-73.1-40.2-177.6-65.6-60.6131.900112D91 I92 I96 H97D91-E94 PolarHBondContact O-N 3.32Å; I92-E94 VanDerWaalsContact C-N 3.32Å; I92-E94 PolarHBondContact O-N 3.02Å; E94-I96 VanDerWaalsContact C-N 3.26Å; E94-I96 PolarHBondContact O-N 3.15Å; E94-H97 PolarHBondContact O-N 3.15Å
95Q57.2Low45.5Very low73 Ų73107 Ų10734%0.34155%0.548SS..Hα-helixtrans-66-30.1174-106.2164.323.200112.7F90F90-Q95 HydrophobicContact CD1-CG 4.39Å; F90-Q95 HydrophobicContact CE1-CB 3.82Å; F90-Q95 HydrophobicContact CE1-CG 3.33Å; F90-Q95 HydrophobicContact CZ-CG 3.71Å
96I56.1Low45.4Very low16 Ų16103.5 Ų103.58%0.08255%0.548CS..Hα-helixtrans-78.8-38.3179.5-69.1164.8000111.3I92 T93 E94 I98 S99 I100 A203 Y206I92-I96 HydrophobicContact CG2-CD1 3.46Å; I92-I96 VanDerWaalsContact CG2-CD1 3.46Å; I92-I96 HydrophobicContact CG2-CG1 4.21Å; I92-I96 WeakPolarHBondContact O-CD1 3.07Å; I92-I96 WeakPolarHBondContact O-CG1 3.47Å; I92-I96 PolarHBondContact O-N 3.35Å; T93-I96 PolarHBondContact O-N 3.47Å; E94-I96 VanDerWaalsContact C-N 3.26Å; E94-I96 PolarHBondContact O-N 3.15Å; I96-I98 VanDerWaalsContact C-N 3.27Å; I96-I98 PolarHBondContact O-N 3.45Å; I96-S99 PolarHBondContact O-N 3.4Å; I96-S99 VanDerWaalsContact O-N 3.15Å; I96-I100 HydrophobicContact CG2-CD1 3.29Å; I96-I100 HydrophobicContact CG2-CG1 4.01Å; I96-I100 WeakPolarHBondContact O-CG1 3.39Å; I96-A203 VanDerWaalsContact CD1-CA 3.49Å; I96-A203 HydrophobicContact CD1-CB 3.36Å; I96-A203 HydrophobicContact CG1-CB 4.49Å; I96-Y206 HydrophobicContact CG1-CD2 4.22Å
97H51.7Low45.8Very low139 Ų139104.4 Ų104.464%0.64456%0.555SS**Hα-helixtrans-62-31.5-178.1-94-116.8000113.4T93 E94 S99T93-H97 PolarHBondContact O-CD2 3.47Å; T93-H97 PolarHBondContact O-N 3.09Å; E94-H97 PolarHBondContact O-N 3.15Å; H97-S99 VanDerWaalsContact C-N 3.27Å; H97-S99 PolarHBondContact O-N 3.42Å
98I49.2Very low45.7Very low151 Ų151106.8 Ų106.877%0.77456%0.556SS**THydrogen-bonded Turntrans-71.9-19.8179.3-62.1168.8000112.3I96I96-I98 VanDerWaalsContact C-N 3.27Å; I96-I98 PolarHBondContact O-N 3.45Å
99S50.2Low45.5Very low38 Ų38106.9 Ų106.927%0.26657%0.569SS.*THydrogen-bonded Turntrans-109.11.5-173.5-56.70000115.2I96 H97 A101 N188I96-S99 PolarHBondContact O-N 3.4Å; I96-S99 VanDerWaalsContact O-N 3.15Å; H97-S99 VanDerWaalsContact C-N 3.27Å; H97-S99 PolarHBondContact O-N 3.42Å; S99-A101 PolarHBondContact O-N 3.39Å; S99-N188 PolarHBondContact OG-ND2 2.99Å
100I50.8Low45.3Very low60 Ų60107.4 Ų107.431%0.30857%0.572SS.*  trans-100.651.9-177.7-55.9162.9000111.9I96 P102 F185I96-I100 HydrophobicContact CG2-CD1 3.29Å; I96-I100 HydrophobicContact CG2-CG1 4.01Å; I96-I100 WeakPolarHBondContact O-CG1 3.39Å; I100-P102 WeakPolarHBondContact O-CD 3.37Å; I100-F185 HydrophobicContact CG2-CE1 3.8Å
101A48.1Very low44.8Very low86 Ų86108.2 Ų108.271%0.71159%0.589SS**  trans-83.9106.9157.900000107.5S99 K103S99-A101 PolarHBondContact O-N 3.39Å; A101-K103 PolarHBondContact O-N 3.42Å
102P49.9Very low44Very low69 Ų69109.4 Ų109.445%0.44861%0.605SS.*  trans-59.9131.7169.525.9-31.1000108.3I100 E104I100-P102 WeakPolarHBondContact O-CD 3.37Å; P102-E104 PolarHBondContact O-N 3.28Å
103K50.5Low42.7Very low192 Ų192114 Ų11484%0.83564%0.644SS**  trans-61.6111.7162.5-73.5180177.1174.70106.5A101 F105A101-K103 PolarHBondContact O-N 3.42Å; K103-F105 PolarHBondContact O-N 3.13Å
104E36.6Very low41.8Very low172 Ų172114.5 Ų114.580%0.80466%0.663SS**PPolyproline II helixtrans-51.1123.2179.5-64.8-61.8137.300109.3P102P102-E104 PolarHBondContact O-N 3.28Å
105F38Very low40.9Very low167 Ų167118.8 Ų118.873%0.73268%0.68SS**PPolyproline II helixtrans-102.2121.5173.6-162.2-89000106.9K103 E107K103-F105 PolarHBondContact O-N 3.13Å; F105-E107 PolarHBondContact O-N 2.84Å
106G35.9Very low40Very low62 Ų62127 Ų12764%0.63971%0.707SS**PPolyproline II helixtrans-48127.7179.700000111.7E108G106-E108 PolarHBondContact O-N 2.85Å
107E34.5Very low38.8Very low185 Ų185130.1 Ų130.186%0.86474%0.744SS**  trans-77.395.2178.845-164.2130.600110.4F105 S109F105-E107 PolarHBondContact O-N 2.84Å; E107-S109 PolarHBondContact O-N 2.77Å
108E30.1Very low37.8Very low195 Ų195127.5 Ų127.591%0.91175%0.754SS**  trans-75119.3158.4-80-164.2123.800109.5G106G106-E108 PolarHBondContact O-N 2.85Å
109S31.3Very low37Very low116 Ų116124.1 Ų124.181%0.81176%0.756SS**  trans-75.1121.2-168.9-15.80000110E107E107-S109 PolarHBondContact O-N 2.77Å
110V32.5Very low36.1Very low144 Ų144132.5 Ų132.587%0.87379%0.788SS**  trans-113.4108.9154.9-70.10000108.6
111S29Very low35.1Very low111 Ų111134.7 Ų134.778%0.77682%0.815SS**  trans-60.2134.9-176.247.90000112.2
112S32.4Very low34.5Very low121 Ų121135.5 Ų135.585%0.84682%0.822SS**  trans-155.684.2155.8-72.20000107.5G114S112-G114 PolarHBondContact O-N 3.28Å
113A30.1Very low33.9Very low107 Ų107138.3 Ų138.388%0.88484%0.838SS**  trans-68.3113.6176.800000110.4
114G32.2Very low33.5Very low77 Ų77135.1 Ų135.179%0.79484%0.836SS**  trans-107.596165.200000109.6S112 R116S112-G114 PolarHBondContact O-N 3.28Å; G114-R116 PolarHBondContact O-N 2.99Å
115K33Very low33.4Very low213 Ų213132.8 Ų132.893%0.92683%0.834SS**  trans-62.9125.8170.5-89.9174.6173.5176.50109.7
116R37.4Very low33.3Very low246 Ų246130.3 Ų130.393%0.92883%0.833SS**  trans-129.6117.5149.7-77.7-171.4176.8-158.9-1.9108.1G114G114-R116 PolarHBondContact O-N 2.99Å
117G31.8Very low33.4Very low82 Ų82135.1 Ų135.185%0.84584%0.843SS**  trans-63.9173160.400000109.7
118G29.3Very low33.3Very low83 Ų83130.9 Ų130.986%0.85684%0.84SS**  cis173.6138.56.400000103.1
119G32.5Very low33.5Very low80 Ų80126.7 Ų126.783%0.82584%0.838SS**  trans-168.2118.4-177.500000109.5
120K32.3Very low34Very low215 Ų215127.8 Ų127.894%0.93584%0.84SS**  trans-75.9155.3-158.3-63.5174.1174.1-175.20113.4
121A30.3Very low34.2Very low105 Ų105127.6 Ų127.687%0.86884%0.839SS**  trans-60.6145.3167.400000112.5
122A34.1Very low34.7Very low103 Ų103130.7 Ų130.785%0.85184%0.842SS**  trans-141.2137.7154.300000108.6
123T37.5Very low35.3Very low128 Ų128131.2 Ų131.279%0.78584%0.842SS**  trans-71.6161.2-169.147.30000114.5
124P42.9Very low35.5Very low125 Ų125131.6 Ų131.681%0.81284%0.838SS**  trans-91.8140.3172.434.8-29.9000112.4
125T35Very low36.2Very low124 Ų124133.1 Ų133.176%0.76183%0.834SS**  trans-142.7106.9166.9-63.40000109.1
126T35.1Very low36.7Very low115 Ų115134.6 Ų134.671%0.70683%0.834SS**  trans51.3116137.7-11.80000123.1
127L37.8Very low37.1Very low162 Ų162131 Ų13185%0.84883%0.828SS**  trans42.9123.6136.1-64.7169.9000123
128A32.5Very low37.8Very low97 Ų97136.6 Ų136.680%0.80283%0.829SS**  126.8139.411600000118
129A34Very low38.3Very low106 Ų106139.3 Ų139.388%0.87682%0.823SS**  trans95.6132150.700000120.8
130V42.1Very low39Very low139 Ų139144.9 Ų144.984%0.84283%0.825SS**  trans-71.8140.6-170.9173.60000113.4
131T36.2Very low39.6Very low140 Ų140146 Ų14686%0.85982%0.823SS**  trans-156.8152145.3-22.60000111.3
132E40.8Very low40Very low177 Ų177144.2 Ų144.283%0.82782%0.816SS**  trans-47.6163.8-162.5-65.3-153.2129.500122S134E132-S134 PolarHBondContact O-N 2.9Å
133P44.4Very low40.5Very low132 Ų132150.5 Ų150.586%0.85782%0.817SS**  trans-81.2113-177.432.1-32.7000113.3
134S34.5Very low40.8Very low115 Ų115149.1 Ų149.180%0.80481%0.813SS**  trans-95.4160.2169.8-135.70000111.9E132E132-S134 PolarHBondContact O-N 2.9Å
135P46Very low40.7Very low108 Ų108149 Ų14970%0.70181%0.813SS**  trans-80.6153.1-140.132.2-37.4000115.1Q137P135-Q137 PolarHBondContact O-N 2.94Å
136R44.3Very low41.7Very low245 Ų245148.2 Ų148.293%0.92581%0.809SS**  trans-32.5100.1170.7-82.2177.2167.8-130.4-1112.8K138R136-K138 PolarHBondContact O-N 2.94Å; R136-K138 VanDerWaalsContact O-N 3.1Å
137Q46.5Very low42.4Very low171 Ų171148.6 Ų148.680%0.79981%0.807SS**  trans-63.5112.1161-75.3-176.3-25.600107.8P135 N139P135-Q137 PolarHBondContact O-N 2.94Å; Q137-N139 VanDerWaalsContact C-N 3.33Å; Q137-N139 PolarHBondContact O-N 2.72Å; Q137-N139 PolarHBondContact O-OD1 2.98Å
138K46.4Very low43.4Very low198 Ų198147.6 Ų147.686%0.86181%0.81SS**  trans-63.9100166.3-71.9174.3-178.6171.70106.5R136 K140R136-K138 PolarHBondContact O-N 2.94Å; R136-K138 VanDerWaalsContact O-N 3.1Å; K138-K140 PolarHBondContact O-N 2.91Å
139N40.2Very low44.7Very low140 Ų140146.4 Ų146.475%0.74981%0.806SS**  trans-61.389.3168.5-65.25.8000107.4Q137 R141Q137-N139 VanDerWaalsContact C-N 3.33Å; Q137-N139 PolarHBondContact O-N 2.72Å; Q137-N139 PolarHBondContact O-OD1 2.98Å; N139-R141 VanDerWaalsContact C-N 3.31Å; N139-R141 PolarHBondContact O-N 3.12Å
140K46Very low46Very low197 Ų197145.1 Ų145.186%0.85779%0.791SS**  trans-56.3106159.9-81.4179.4177.8175.40103.9K138 G142K138-K140 PolarHBondContact O-N 2.91Å; K140-G142 PolarHBondContact O-N 2.84Å
141R44.4Very low47.1Very low238 Ų238144.7 Ų144.790%0.89879%0.791SS**  trans-52.997165.2-77.1-178.7-83.8-156.4-5.8105.5N139 R143N139-R141 VanDerWaalsContact C-N 3.31Å; N139-R141 PolarHBondContact O-N 3.12Å; R141-R143 PolarHBondContact O-N 2.92Å
142G39.2Very low48.7Very low69 Ų69145.2 Ų145.271%0.71178%0.784SS**  trans-55.9111.5175.300000105.5K140 S144K140-G142 PolarHBondContact O-N 2.84Å; G142-S144 PolarHBondContact O-N 2.68Å
143R44.6Very low50.5Low235 Ų235144.8 Ų144.889%0.88778%0.779SS**  trans-60.8103.7156.1-84177.4-173.6-119.6-2103.4R141 C145R141-R143 PolarHBondContact O-N 2.92Å; R143-C145 PolarHBondContact O-N 2.89Å
144S44Very low52.6Low98 Ų98146 Ų14669%0.68577%0.771SS**  trans-52.7114.6168.4170.70000105.8G142 T146G142-S144 PolarHBondContact O-N 2.68Å; S144-T146 PolarHBondContact O-N 3.39Å
145C40.4Very low55.2Low122 Ų122142.9 Ų142.982%0.82474%0.744SS**  trans-67.984171.6-44.10000106R143 D147R143-C145 PolarHBondContact O-N 2.89Å; C145-D147 PolarHBondContact O-N 3.47Å
146T55.9Low57.3Low108 Ų108144.1 Ų144.166%0.66374%0.738SS**  trans-70116.9168.5540000107S144S144-T146 PolarHBondContact O-N 3.39Å
147D50.3Low59.5Low124 Ų124133 Ų13366%0.66370%0.698SS**  trans-47.7127.4177.2-90-65.1000110.7C145 G149 S150C145-D147 PolarHBondContact O-N 3.47Å; D147-G149 PolarHBondContact O-N 2.98Å; D147-S150 PolarHBondContact O-N 3.02Å
148P59.2Low61.6Low141 Ų141132.7 Ų132.792%0.91670%0.696SS**THydrogen-bonded Turntrans-59.7-5.6179.2-24.333000115.5
149G59.8Low63.6Low71 Ų71129.5 Ų129.573%0.73268%0.68SS**THydrogen-bonded Turntrans-110.21.6-175.300000116.1D147D147-G149 PolarHBondContact O-N 2.98Å
150S60.2Low65.9Low79 Ų79129.4 Ų129.455%0.55268%0.684SS**SBendtrans-74.8125.8179-70.50000111D147 Q152D147-S150 PolarHBondContact O-N 3.02Å; S150-Q152 PolarHBondContact O-N 3.37Å
151P66.2Low67.9Low131 Ų131124.1 Ų124.185%0.85169%0.685SS**  trans-62.6105.5177.922-29.5000109.7K153P151-K153 PolarHBondContact O-N 3.32Å
152Q69.6Low70Confident151 Ų151113.6 Ų113.671%0.70665%0.648SS**PPolyproline II helixtrans-67.3116.1175.4-65.2-167.9-400108.6S150 K154S150-Q152 PolarHBondContact O-N 3.37Å; Q152-K154 PolarHBondContact O-N 2.74Å; Q152-K154 VanDerWaalsContact O-N 3.1Å
153K77.8Confident72.5Confident167 Ų167119.3 Ų119.373%0.72666%0.656SS**PPolyproline II helixtrans-59.3116.2175-172.4174.4-178.4177.10108.8P151 H155P151-K153 PolarHBondContact O-N 3.32Å; K153-H155 PolarHBondContact O-CD2 3.45Å
154K88.4Confident74.7Confident157 Ų157113.5 Ų113.568%0.68364%0.637SS**PPolyproline II helixtrans-80.2142.1177.4-64.9-178.8-176.5177.90110Q152 V165Q152-K154 PolarHBondContact O-N 2.74Å; Q152-K154 VanDerWaalsContact O-N 3.1Å; K154-V165 HydrophobicContact CB-CG1 3.76Å; K154-V165 HydrophobicContact CD-CG1 4.28Å; K154-V165 HydrophobicContact CG-CG1 4.4Å
155H89Confident77Confident51 Ų51112.2 Ų112.224%0.23663%0.625CS.*EExtended strand (participates in β ladder)trans-112.1108.6-179.3-64.5-84.6000109.4K153 Y166 S169 L172K153-H155 PolarHBondContact O-CD2 3.45Å; H155-Y166 WeakPolarHBondContact CB-O 3.34Å; H155-Y166 PolarHBondContact N-O 2.81Å; H155-Y166 PolarHBondContact O-N 2.78Å; H155-S169 PolarHBondContact CD2-N 3.38Å; H155-S169 PolarHBondContact NE2-N 3.15Å; H155-L172 HydrophobicContact CB-CB 3.95Å; H155-L172 HydrophobicContact CB-CD2 3.77Å; H155-L172 HydrophobicContact CB-CG 4.44Å
156K90.1Very high79.3Confident133 Ų133108.8 Ų108.858%0.57860%0.595SS**EExtended strand (participates in β ladder)trans-89.8147.3-178.6-57.9-170.9176.9-178.30111.2H158 V165 L172K156-H158 PolarHBondContact O-CE1 3.22Å; K156-V165 HydrophobicContact CB-CG2 4.41Å; K156-V165 HydrophobicContact CD-CG2 4.44Å; K156-V165 HydrophobicContact CG-CG1 4.02Å; K156-V165 HydrophobicContact CG-CG2 3.86Å; K156-L172 VanDerWaalsContact O-CD2 3.32Å; K156-L172 WeakPolarHBondContact O-CD2 3.41Å
157C91.7Very high81Confident13 Ų13105.6 Ų105.69%0.08858%0.584CS.*  trans-73.5137.2164.7-166.20000109.4C162 K164 L172 H175C157-C162 HydrophobicContact CB-CB 4.37Å; C157-K164 WeakPolarHBondContact CB-O 3.47Å; C157-K164 PolarHBondContact N-O 2.91Å; C157-L172 HydrophobicContact CB-CD1 4.14Å; C157-H175 PolarHBondContact SG-NE2 3.03Å; C157-H175 VanDerWaalsContact SG-NE2 3.37Å
158H89.3Confident82.8Confident164 Ų164105.7 Ų105.776%0.75958%0.578SS**  trans-104.33.8178.1-55.1101.3000112.2K156K156-H158 PolarHBondContact O-CE1 3.22Å
159Y89.9Confident84.1Confident130 Ų130102.5 Ų102.551%0.5156%0.559SS.*SBendtrans-70.9134.3179.3-159.6-91.2000110.2G161 C162 H179Y159-G161 PolarHBondContact O-N 2.94Å; Y159-C162 WeakPolarHBondContact O-CB 3.29Å; Y159-C162 PolarHBondContact O-N 3.41Å; Y159-H179 HydrophobicContact CD1-CB 4.44Å; Y159-H179 AromaticContact CD1-CE1 3.5Å; Y159-H179 AromaticContact CD1-CG 3.82Å; Y159-H179 AromaticContact CD1-ND1 3.16Å; Y159-H179 WeakPolarHBondContact CD1-ND1 3.35Å; Y159-H179 HydrophobicContact CD2-CB 3.63Å; Y159-H179 AromaticContact CD2-CG 3.7Å; Y159-H179 AromaticContact CD2-ND1 3.92Å; Y159-H179 AromaticContact CE1-ND1 3.53Å; Y159-H179 HydrophobicContact CE2-CB 3.74Å; Y159-H179 HydrophobicContact CG-CB 3.99Å; Y159-H179 AromaticContact CG-CD2 3.94Å; Y159-H179 AromaticContact CG-CE1 3.72Å; Y159-H179 AromaticContact CG-CG 3.5Å; Y159-H179 AromaticContact CG-ND1 3.36Å
160V88.7Confident85.4Confident139 Ų139102.3 Ų102.384%0.84255%0.547SS*.THydrogen-bonded Turntrans-59.1127-178.1-177.50000109.6
161G87.4Confident86.7Confident85 Ų85103.3 Ų103.388%0.87654%0.543SS*.THydrogen-bonded Turntrans80.49.3-176.300000115.4Y159Y159-G161 PolarHBondContact O-N 2.94Å
162C89.1Confident87.8Confident18 Ų1898.1 Ų98.112%0.12251%0.507CS..  trans-117.7111.5175.7-168.70000112.6C157 Y159 H175 H179C157-C162 HydrophobicContact CB-CB 4.37Å; Y159-C162 WeakPolarHBondContact O-CB 3.29Å; Y159-C162 PolarHBondContact O-N 3.41Å; C162-H175 PolarHBondContact SG-NE2 2.9Å; C162-H179 PolarHBondContact SG-NE2 3.36Å; C162-H179 VanDerWaalsContact SG-NE2 3.35Å
163E90.1Very high88.7Confident188 Ų18897.9 Ų97.988%0.87950%0.504SS*.  trans-97.418.4-177.6-60.7-175.4166.300113.7
164K91.5Very high89.1Confident114 Ų11491 Ų9150%0.49648%0.479SS..  trans-75.8137.1-174.2-65.7-177-172.9170.40112.2C157 Y166C157-K164 WeakPolarHBondContact CB-O 3.47Å; C157-K164 PolarHBondContact N-O 2.91Å; K164-Y166 HydrophobicContact CB-CE2 3.69Å; K164-Y166 VanDerWaalsContact CD-OH 3.28Å; K164-Y166 WeakPolarHBondContact CD-OH 3.2Å
165V91.7Very high89Confident70 Ų7084 Ų8442%0.42445%0.448SS..EExtended strand (participates in β ladder)trans-127.3137.5179.7-172.30000110.5K154 K156K154-V165 HydrophobicContact CB-CG1 3.76Å; K154-V165 HydrophobicContact CD-CG1 4.28Å; K154-V165 HydrophobicContact CG-CG1 4.4Å; K156-V165 HydrophobicContact CB-CG2 4.41Å; K156-V165 HydrophobicContact CD-CG2 4.44Å; K156-V165 HydrophobicContact CG-CG1 4.02Å; K156-V165 HydrophobicContact CG-CG2 3.86Å
166Y90.3Very high89Confident50 Ų5084.9 Ų84.920%0.19645%0.454CS..EExtended strand (participates in β ladder)trans-123.5140-173.4-60.4-86.7000111.1H155 K164 K168 H171 L172 H175H155-Y166 WeakPolarHBondContact CB-O 3.34Å; H155-Y166 PolarHBondContact N-O 2.81Å; H155-Y166 PolarHBondContact O-N 2.78Å; K164-Y166 HydrophobicContact CB-CE2 3.69Å; K164-Y166 VanDerWaalsContact CD-OH 3.28Å; K164-Y166 WeakPolarHBondContact CD-OH 3.2Å; Y166-K168 VanDerWaalsContact C-N 3.25Å; Y166-K168 PolarHBondContact O-N 3.35Å; Y166-H171 HydrophobicContact CD1-CB 3.66Å; Y166-H171 HydrophobicContact CG-CB 4.13Å; Y166-L172 HydrophobicContact CD2-CB 3.99Å; Y166-L172 HydrophobicContact CD2-CD1 3.82Å; Y166-L172 HydrophobicContact CE2-CD1 4.12Å; Y166-L172 HydrophobicContact CG-CB 4.31Å; Y166-H175 HydrophobicContact CE1-CB 4.13Å; Y166-H175 HydrophobicContact CE2-CB 3.77Å; Y166-H175 AromaticContact CE2-CD2 3.3Å; Y166-H175 WeakPolarHBondContact CE2-CD2 3.06Å; Y166-H175 AromaticContact CE2-CG 3.65Å; Y166-H175 VanDerWaalsContact CZ-CB 3.46Å; Y166-H175 AromaticContact CZ-CD2 3.61Å; Y166-H175 AromaticContact CZ-CG 3.47Å; Y166-H175 VanDerWaalsContact CZ-CG 3.47Å; Y166-H175 VanDerWaalsContact OH-CB 3.3Å; Y166-H175 WeakPolarHBondContact OH-CB 3.46Å; Y166-H175 PolarHBondContact OH-CD2 3.1Å; Y166-H175 VanDerWaalsContact OH-CD2 3.26Å; Y166-H175 PolarHBondContact OH-ND1 2.8Å
167G89.8Confident88.9Confident41 Ų4181 Ų8142%0.42344%0.436SS..SBendtrans-76.6-9174.400000114.4
168K88.8Confident88.6Confident126 Ų12684.8 Ų84.855%0.54846%0.459SS..SBendtrans-134.9139-179.1-63.9-176.8-178.5-179.60110.8Y166 S170 H171 L172Y166-K168 VanDerWaalsContact C-N 3.25Å; Y166-K168 PolarHBondContact O-N 3.35Å; K168-S170 VanDerWaalsContact C-N 3.29Å; K168-S170 PolarHBondContact O-N 3.43Å; K168-H171 PolarHBondContact O-N 3Å; K168-L172 PolarHBondContact O-N 3.05Å
169S87.7Confident88.5Confident74 Ų7479.3 Ų79.352%0.51743%0.434SS..Hα-helixtrans-59-39.2176.556.70000112.5H155 H171 L172 K173H155-S169 PolarHBondContact CD2-N 3.38Å; H155-S169 PolarHBondContact NE2-N 3.15Å; S169-H171 VanDerWaalsContact C-N 3.28Å; S169-H171 PolarHBondContact O-N 3.34Å; S169-L172 PolarHBondContact O-N 3.04Å; S169-K173 PolarHBondContact O-N 3.28Å
170S86.1Confident88.3Confident68 Ų6877.3 Ų77.348%0.47644%0.435SS..Hα-helixtrans-61.1-35.3177.957.60000112.9K168 A174K168-S170 VanDerWaalsContact C-N 3.29Å; K168-S170 PolarHBondContact O-N 3.43Å; S170-A174 WeakPolarHBondContact O-CB 3.25Å; S170-A174 PolarHBondContact O-N 2.87Å
171H88.4Confident88.1Confident100 Ų10073.2 Ų73.246%0.46342%0.42SS..Hα-helixtrans-73-39176.6-64.5177.7000111.7Y166 K168 S169 A174 H175Y166-H171 HydrophobicContact CD1-CB 3.66Å; Y166-H171 HydrophobicContact CG-CB 4.13Å; K168-H171 PolarHBondContact O-N 3Å; S169-H171 VanDerWaalsContact C-N 3.28Å; S169-H171 PolarHBondContact O-N 3.34Å; H171-A174 PolarHBondContact O-N 2.7Å; H171-H175 WeakPolarHBondContact O-CB 3.15Å; H171-H175 PolarHBondContact O-N 3.17Å
172L89.3Confident88.1Confident21 Ų2172.9 Ų72.911%0.1140%0.396CS..Hα-helixtrans-61.1-47.3172.1175.464.1000110.4H155 K156 C157 Y166 K168 S169 A174 H175 L176H155-L172 HydrophobicContact CB-CB 3.95Å; H155-L172 HydrophobicContact CB-CD2 3.77Å; H155-L172 HydrophobicContact CB-CG 4.44Å; K156-L172 VanDerWaalsContact O-CD2 3.32Å; K156-L172 WeakPolarHBondContact O-CD2 3.41Å; C157-L172 HydrophobicContact CB-CD1 4.14Å; Y166-L172 HydrophobicContact CD2-CB 3.99Å; Y166-L172 HydrophobicContact CD2-CD1 3.82Å; Y166-L172 HydrophobicContact CE2-CD1 4.12Å; Y166-L172 HydrophobicContact CG-CB 4.31Å; K168-L172 PolarHBondContact O-N 3.05Å; S169-L172 PolarHBondContact O-N 3.04Å; L172-A174 VanDerWaalsContact C-N 3.33Å; L172-A174 PolarHBondContact O-N 2.99Å; L172-H175 CarbonylContact O-C 3.49Å; L172-H175 WeakPolarHBondContact O-CA 3.26Å; L172-H175 WeakPolarHBondContact O-CB 3.47Å; L172-H175 PolarHBondContact O-N 3Å; L172-L176 HydrophobicContact CD1-CD2 4.41Å; L172-L176 HydrophobicContact CD1-CG 4.29Å; L172-L176 HydrophobicContact CG-CD1 4.38Å; L172-L176 HydrophobicContact CG-CG 4.42Å; L172-L176 WeakPolarHBondContact O-CG 3.35Å; L172-L176 PolarHBondContact O-N 2.72Å
173K86.7Confident87.9Confident146 Ų14679.7 Ų79.764%0.63542%0.419SS*.Hα-helixtrans-58.6-43.6178.1-168.1171.6-168.9172.80112S169 H175 L176S169-K173 PolarHBondContact O-N 3.28Å; K173-H175 VanDerWaalsContact C-N 3.32Å; K173-H175 PolarHBondContact O-N 3.17Å; K173-L176 PolarHBondContact O-N 3.44Å
174A86.3Confident87.6Confident23 Ų2373.4 Ų73.419%0.1940%0.395CS..Hα-helixtrans-65-35.4174.800000112.6S170 H171 L172 R177 R198S170-A174 WeakPolarHBondContact O-CB 3.25Å; S170-A174 PolarHBondContact O-N 2.87Å; H171-A174 PolarHBondContact O-N 2.7Å; L172-A174 VanDerWaalsContact C-N 3.33Å; L172-A174 PolarHBondContact O-N 2.99Å; A174-R177 WeakPolarHBondContact O-CB 3.43Å; A174-R198 HydrophobicContact CB-CG 4.31Å
175H87.6Confident87.4Confident11 Ų1168.9 Ų68.95%0.05138%0.375CS..Hα-helixtrans-69.1-38.7174.8167.649.4000112.7C157 C162 Y166 H171 L172 K173 R177 T178 H179C157-H175 PolarHBondContact SG-NE2 3.03Å; C157-H175 VanDerWaalsContact SG-NE2 3.37Å; C162-H175 PolarHBondContact SG-NE2 2.9Å; Y166-H175 HydrophobicContact CE1-CB 4.13Å; Y166-H175 HydrophobicContact CE2-CB 3.77Å; Y166-H175 AromaticContact CE2-CD2 3.3Å; Y166-H175 WeakPolarHBondContact CE2-CD2 3.06Å; Y166-H175 AromaticContact CE2-CG 3.65Å; Y166-H175 VanDerWaalsContact CZ-CB 3.46Å; Y166-H175 AromaticContact CZ-CD2 3.61Å; Y166-H175 AromaticContact CZ-CG 3.47Å; Y166-H175 VanDerWaalsContact CZ-CG 3.47Å; Y166-H175 VanDerWaalsContact OH-CB 3.3Å; Y166-H175 WeakPolarHBondContact OH-CB 3.46Å; Y166-H175 PolarHBondContact OH-CD2 3.1Å; Y166-H175 VanDerWaalsContact OH-CD2 3.26Å; Y166-H175 PolarHBondContact OH-ND1 2.8Å; H171-H175 WeakPolarHBondContact O-CB 3.15Å; H171-H175 PolarHBondContact O-N 3.17Å; L172-H175 CarbonylContact O-C 3.49Å; L172-H175 WeakPolarHBondContact O-CA 3.26Å; L172-H175 WeakPolarHBondContact O-CB 3.47Å; L172-H175 PolarHBondContact O-N 3Å; K173-H175 VanDerWaalsContact C-N 3.32Å; K173-H175 PolarHBondContact O-N 3.17Å; H175-R177 PolarHBondContact O-N 2.91Å; H175-R177 VanDerWaalsContact O-N 3.1Å; H175-T178 PolarHBondContact CE1-OG1 3.47Å; H175-T178 PolarHBondContact ND1-OG1 3.39Å; H175-T178 VanDerWaalsContact ND1-OG1 3.13Å; H175-T178 WeakPolarHBondContact O-CB 3.48Å; H175-T178 WeakPolarHBondContact O-CG2 3.46Å; H175-T178 PolarHBondContact O-N 2.7Å; H175-T178 PolarHBondContact O-OG1 3.26Å; H175-H179 AromaticContact CE1-CD2 3.78Å; H175-H179 AromaticContact CE1-NE2 3.22Å; H175-H179 PolarHBondContact CE1-NE2 3.19Å; H175-H179 AromaticContact NE2-CD2 3.81Å; H175-H179 AromaticContact NE2-NE2 3.24Å; H175-H179 PolarHBondContact NE2-NE2 3.16Å
176L88.3Confident87.1Confident69 Ų6969.7 Ų69.736%0.36138%0.375SS..Hα-helixtrans-57.7-29179-69.6174.1000112.4L172 K173 T178 H179 T180L172-L176 HydrophobicContact CD1-CD2 4.41Å; L172-L176 HydrophobicContact CD1-CG 4.29Å; L172-L176 HydrophobicContact CG-CD1 4.38Å; L172-L176 HydrophobicContact CG-CG 4.42Å; L172-L176 WeakPolarHBondContact O-CG 3.35Å; L172-L176 PolarHBondContact O-N 2.72Å; K173-L176 PolarHBondContact O-N 3.44Å; L176-T178 PolarHBondContact O-N 2.92Å; L176-T178 VanDerWaalsContact O-N 3.16Å; L176-H179 WeakPolarHBondContact O-CB 3.44Å; L176-H179 PolarHBondContact O-N 2.95Å; L176-T180 PolarHBondContact O-N 3.18Å; L176-T180 VanDerWaalsContact O-N 3.12Å; L176-T180 PolarHBondContact O-OG1 2.87Å
177R87.9Confident87.1Confident52 Ų5267.7 Ų67.720%0.19637%0.368CS..Hα-helixtrans-60.6-21.3171.9-62.3179.2177.4158.4-1.1114.2A174 H175 H179 T180 G181 E182 A197A174-R177 WeakPolarHBondContact O-CB 3.43Å; H175-R177 PolarHBondContact O-N 2.91Å; H175-R177 VanDerWaalsContact O-N 3.1Å; R177-H179 VanDerWaalsContact C-N 3.28Å; R177-T180 WeakPolarHBondContact CA-OG1 3.49Å; R177-G181 WeakPolarHBondContact O-CA 3.08Å; R177-G181 PolarHBondContact O-N 3.1Å; R177-E182 HydrophobicContact CG-CB 4.43Å; R177-E182 PolarHBondContact O-N 3Å; R177-A197 HydrophobicContact CB-CB 4.18Å; R177-A197 VanDerWaalsContact CD-O 3.23Å; R177-A197 WeakPolarHBondContact CD-O 3.27Å; R177-A197 PolarHBondContact NH1-O 3.39Å
178T86.2Confident87Confident91 Ų9170.4 Ų70.456%0.55837%0.372SS*.Hα-helixtrans-75.6-20.3173.771.20000112.7H175 L176H175-T178 PolarHBondContact CE1-OG1 3.47Å; H175-T178 PolarHBondContact ND1-OG1 3.39Å; H175-T178 VanDerWaalsContact ND1-OG1 3.13Å; H175-T178 WeakPolarHBondContact O-CB 3.48Å; H175-T178 WeakPolarHBondContact O-CG2 3.46Å; H175-T178 PolarHBondContact O-N 2.7Å; H175-T178 PolarHBondContact O-OG1 3.26Å; L176-T178 PolarHBondContact O-N 2.92Å; L176-T178 VanDerWaalsContact O-N 3.16Å
179H86.7Confident86.8Confident50 Ų5069.6 Ų69.623%0.23137%0.366CS..Hα-helixtrans-89.4-42.4174.9-68.5-65.4000111.5Y159 C162 H175 L176 R177 G181Y159-H179 HydrophobicContact CD1-CB 4.44Å; Y159-H179 AromaticContact CD1-CE1 3.5Å; Y159-H179 AromaticContact CD1-CG 3.82Å; Y159-H179 AromaticContact CD1-ND1 3.16Å; Y159-H179 WeakPolarHBondContact CD1-ND1 3.35Å; Y159-H179 HydrophobicContact CD2-CB 3.63Å; Y159-H179 AromaticContact CD2-CG 3.7Å; Y159-H179 AromaticContact CD2-ND1 3.92Å; Y159-H179 AromaticContact CE1-ND1 3.53Å; Y159-H179 HydrophobicContact CE2-CB 3.74Å; Y159-H179 HydrophobicContact CG-CB 3.99Å; Y159-H179 AromaticContact CG-CD2 3.94Å; Y159-H179 AromaticContact CG-CE1 3.72Å; Y159-H179 AromaticContact CG-CG 3.5Å; Y159-H179 AromaticContact CG-ND1 3.36Å; C162-H179 PolarHBondContact SG-NE2 3.36Å; C162-H179 VanDerWaalsContact SG-NE2 3.35Å; H175-H179 AromaticContact CE1-CD2 3.78Å; H175-H179 AromaticContact CE1-NE2 3.22Å; H175-H179 PolarHBondContact CE1-NE2 3.19Å; H175-H179 AromaticContact NE2-CD2 3.81Å; H175-H179 AromaticContact NE2-NE2 3.24Å; H175-H179 PolarHBondContact NE2-NE2 3.16Å; L176-H179 WeakPolarHBondContact O-CB 3.44Å; L176-H179 PolarHBondContact O-N 2.95Å; R177-H179 VanDerWaalsContact C-N 3.28Å; H179-G181 VanDerWaalsContact C-N 3.33Å
180T85.2Confident86.7Confident88 Ų8875 Ų7554%0.5438%0.383SS..Hα-helixtrans-79.8-16.8179.660.80000113.3L176 R177 E182L176-T180 PolarHBondContact O-N 3.18Å; L176-T180 VanDerWaalsContact O-N 3.12Å; L176-T180 PolarHBondContact O-OG1 2.87Å; R177-T180 WeakPolarHBondContact CA-OG1 3.49Å; T180-E182 PolarHBondContact O-N 3.2Å; T180-E182 WeakPolarHBondContact OG1-CG 2.77Å
181G85Confident86.7Confident52 Ų5275.6 Ų75.654%0.53640%0.4SS..  trans746-176.900000114R177 H179 R183R177-G181 WeakPolarHBondContact O-CA 3.08Å; R177-G181 PolarHBondContact O-N 3.1Å; H179-G181 VanDerWaalsContact C-N 3.33Å; G181-R183 PolarHBondContact O-N 3.36Å
182E86.5Confident86.7Confident79 Ų7971.6 Ų71.637%0.36938%0.383SS..  trans-63.6129.4-179.2-73.7178.5-17600112.3R177 T180 P184R177-E182 HydrophobicContact CG-CB 4.43Å; R177-E182 PolarHBondContact O-N 3Å; T180-E182 PolarHBondContact O-N 3.2Å; T180-E182 WeakPolarHBondContact OG1-CG 2.77Å; E182-P184 WeakPolarHBondContact O-CD 3.33Å
183R85.9Confident86.5Confident160 Ų16077.9 Ų77.960%0.60442%0.417SS*.  trans-127.276178.6-70.9177.9152.9175.9-4.2110.6G181 F185 K195 F196G181-R183 PolarHBondContact O-N 3.36Å; R183-F185 PolarHBondContact O-N 3.4Å; R183-K195 HydrophobicContact CB-CB 3.7Å; R183-K195 WeakPolarHBondContact CD-O 3.33Å; R183-K195 PolarHBondContact NE-O 3.32Å; R183-F196 CarbonylContact C-O 3.57Å; R183-F196 VanDerWaalsContact C-O 3.3Å; R183-F196 VanDerWaalsContact CA-O 3.27Å; R183-F196 WeakPolarHBondContact CA-O 3.01Å
184P84.4Confident86.6Confident57 Ų5776.6 Ų76.637%0.3741%0.411SS..  trans-71.7-12.1-173.827.5-33.8000113.7E182E182-P184 WeakPolarHBondContact O-CD 3.33Å
185F85.7Confident86.7Confident18 Ų1880.1 Ų80.18%0.07942%0.422CS..EExtended strand (participates in β ladder)trans-104.9109.8-176.6-56.2-73.7000110.5I100 R183 K195 F196 A197 L202I100-F185 HydrophobicContact CG2-CE1 3.8Å; R183-F185 PolarHBondContact O-N 3.4Å; F185-K195 CarbonylContact O-C 3.48Å; F185-K195 WeakPolarHBondContact O-CA 3.49Å; F185-F196 HydrophobicContact CB-CB 4.29Å; F185-F196 PolarHBondContact N-O 2.82Å; F185-F196 VanDerWaalsContact N-O 3.14Å; F185-F196 PolarHBondContact O-N 2.74Å; F185-A197 WeakPolarHBondContact CE2-O 3.3Å; F185-L202 HydrophobicContact CB-CB 4.09Å; F185-L202 HydrophobicContact CB-CD2 3.86Å
186E87.1Confident86.7Confident88 Ų8881.2 Ų81.241%0.41143%0.427SS..EExtended strand (participates in β ladder)trans-105.2149.5179.261.8-166.5176.700112.6K195 L202E186-K195 HydrophobicContact CB-CD 4.3Å; E186-K195 HydrophobicContact CB-CG 4.01Å; E186-K195 IonicContact OE2-NZ 3.68Å; E186-K195 PolarHBondContact OE2-NZ 3.06Å; E186-L202 WeakPolarHBondContact O-CD1 3.21Å; E186-L202 WeakPolarHBondContact O-CD2 3.18Å
187C89.5Confident86.6Confident8 Ų878.6 Ų78.65%0.05442%0.415CS..  trans-82.9121.8173-171.10000109.5W189 C192 K194 L202C187-W189 VanDerWaalsContact C-N 3.26Å; C187-W189 PolarHBondContact O-N 3.1Å; C187-W189 VanDerWaalsContact SG-CB 3.57Å; C187-C192 HydrophobicContact CB-CB 4.45Å; C187-K194 WeakPolarHBondContact CB-O 3.23Å; C187-K194 PolarHBondContact N-O 3.34Å; C187-L202 HydrophobicContact CB-CD1 4.03Å
188N87.1Confident86.5Confident97 Ų9780.2 Ų80.252%0.51942%0.421SS..  trans-90.613.9178.2-63.1-22.9000112.7S99 Y206S99-N188 PolarHBondContact OG-ND2 2.99Å; N188-Y206 PolarHBondContact N-OH 2.9Å
189W84.6Confident86.4Confident109 Ų10978.2 Ų78.241%0.41341%0.411SS..SBendtrans-73.8130.1175.4-166-80.7000109.7C187 G191 C192 H209C187-W189 VanDerWaalsContact C-N 3.26Å; C187-W189 PolarHBondContact O-N 3.1Å; C187-W189 VanDerWaalsContact SG-CB 3.57Å; W189-G191 PolarHBondContact O-N 2.75Å; W189-C192 HydrophobicContact CB-CB 4.02Å; W189-C192 WeakPolarHBondContact O-CA 3.46Å; W189-C192 WeakPolarHBondContact O-CB 3.42Å; W189-C192 PolarHBondContact O-N 3.48Å; W189-H209 AromaticContact CD1-CE1 3.73Å; W189-H209 AromaticContact CD1-ND1 3.41Å; W189-H209 HydrophobicContact CD2-CB 3.58Å; W189-H209 AromaticContact CD2-CG 3.55Å; W189-H209 AromaticContact CD2-ND1 3.69Å; W189-H209 AromaticContact CE2-CG 3.99Å; W189-H209 AromaticContact CE2-ND1 3.85Å; W189-H209 HydrophobicContact CE3-CB 3.55Å; W189-H209 AromaticContact CE3-CG 3.9Å; W189-H209 HydrophobicContact CG-CB 4.21Å; W189-H209 AromaticContact CG-CE1 3.71Å; W189-H209 AromaticContact CG-CG 3.63Å; W189-H209 AromaticContact CG-ND1 3.42Å; W189-H209 HydrophobicContact CH2-CB 3.98Å; W189-H209 HydrophobicContact CZ2-CB 4.02Å; W189-H209 HydrophobicContact CZ3-CB 3.76Å; W189-H209 AromaticContact NE1-ND1 3.66Å
190Q87.1Confident86.2Confident187 Ų18779.5 Ų79.587%0.87442%0.42SS*.THydrogen-bonded Turntrans-58.4128.2-177.4-168.5177.66.100111.2C192Q190-C192 VanDerWaalsContact C-N 3.29Å; Q190-C192 PolarHBondContact O-N 3.04Å
191G84.4Confident86.3Confident81 Ų8177.2 Ų77.284%0.83540%0.403SS*.THydrogen-bonded Turntrans79.74.2-174.700000114.7W189W189-G191 PolarHBondContact O-N 2.75Å
192C88.4Confident86.5Confident16 Ų1674.8 Ų74.811%0.10838%0.378CS..  trans-111.4118.4172.5-161.90000111.4C187 W189 Q190 H205C187-C192 HydrophobicContact CB-CB 4.45Å; W189-C192 HydrophobicContact CB-CB 4.02Å; W189-C192 WeakPolarHBondContact O-CA 3.46Å; W189-C192 WeakPolarHBondContact O-CB 3.42Å; W189-C192 PolarHBondContact O-N 3.48Å; Q190-C192 VanDerWaalsContact C-N 3.29Å; Q190-C192 PolarHBondContact O-N 3.04Å; C192-H205 PolarHBondContact SG-NE2 3.43Å
193N85.4Confident86.5Confident153 Ų15372 Ų7282%0.81837%0.368SS*.  trans-10625.7178.5-68.6-40000112.9
194K88.5Confident86.5Confident119 Ų11968.4 Ų68.452%0.51736%0.355SS..  trans-80.2133-174.7-70.4-177.5-179.7-177.70111.6C187 F196C187-K194 WeakPolarHBondContact CB-O 3.23Å; C187-K194 PolarHBondContact N-O 3.34Å; K194-F196 HydrophobicContact CB-CE2 3.82Å; K194-F196 HydrophobicContact CB-CZ 3.91Å
195K90.1Very high86.6Confident98 Ų9866.4 Ų66.443%0.42634%0.34SS..EExtended strand (participates in β ladder)trans-119.7146.9177.4-49.2-165-176.2-142.50111.7R183 F185 E186R183-K195 HydrophobicContact CB-CB 3.7Å; R183-K195 WeakPolarHBondContact CD-O 3.33Å; R183-K195 PolarHBondContact NE-O 3.32Å; F185-K195 CarbonylContact O-C 3.48Å; F185-K195 WeakPolarHBondContact O-CA 3.49Å; E186-K195 HydrophobicContact CB-CD 4.3Å; E186-K195 HydrophobicContact CB-CG 4.01Å; E186-K195 IonicContact OE2-NZ 3.68Å; E186-K195 PolarHBondContact OE2-NZ 3.06Å
196F86.8Confident86.6Confident34 Ų3466.1 Ų66.115%0.14934%0.339CS..EExtended strand (participates in β ladder)trans-131.4150.4-172.2-58.5-85.9000111.4R183 F185 K194 E201 L202 H205R183-F196 CarbonylContact C-O 3.57Å; R183-F196 VanDerWaalsContact C-O 3.3Å; R183-F196 VanDerWaalsContact CA-O 3.27Å; R183-F196 WeakPolarHBondContact CA-O 3.01Å; F185-F196 HydrophobicContact CB-CB 4.29Å; F185-F196 PolarHBondContact N-O 2.82Å; F185-F196 VanDerWaalsContact N-O 3.14Å; F185-F196 PolarHBondContact O-N 2.74Å; K194-F196 HydrophobicContact CB-CE2 3.82Å; K194-F196 HydrophobicContact CB-CZ 3.91Å; F196-E201 HydrophobicContact CB-CB 3.97Å; F196-E201 HydrophobicContact CD1-CB 3.72Å; F196-E201 HydrophobicContact CG-CB 4.09Å; F196-L202 HydrophobicContact CB-CB 4.35Å; F196-L202 HydrophobicContact CD2-CB 3.96Å; F196-L202 HydrophobicContact CD2-CD1 3.75Å; F196-L202 HydrophobicContact CD2-CG 4.48Å; F196-L202 HydrophobicContact CE2-CD1 3.98Å; F196-L202 HydrophobicContact CG-CB 4.32Å; F196-H205 HydrophobicContact CE1-CB 3.98Å; F196-H205 HydrophobicContact CE2-CB 3.79Å; F196-H205 AromaticContact CE2-CD2 3.24Å; F196-H205 WeakPolarHBondContact CE2-CD2 3.44Å; F196-H205 AromaticContact CE2-CG 3.67Å; F196-H205 HydrophobicContact CZ-CB 3.36Å; F196-H205 AromaticContact CZ-CD2 3.34Å; F196-H205 WeakPolarHBondContact CZ-CD2 3.41Å; F196-H205 AromaticContact CZ-CG 3.29Å
197A86.6Confident86.5Confident14 Ų1465.1 Ų65.112%0.11633%0.331CS..SBendtrans-83.4-20.7179.300000112.1R177 F185 E201R177-A197 HydrophobicContact CB-CB 4.18Å; R177-A197 VanDerWaalsContact CD-O 3.23Å; R177-A197 WeakPolarHBondContact CD-O 3.27Å; R177-A197 PolarHBondContact NH1-O 3.39Å; F185-A197 WeakPolarHBondContact CE2-O 3.3Å; A197-E201 PolarHBondContact N-OE2 3.45Å
198R84.4Confident86.3Confident85 Ų8568.4 Ų68.432%0.32135%0.351SS..SBendtrans-132.8147.8-177.2-49.5-174.3-67.5124.310112A174 D200 E201 L202A174-R198 HydrophobicContact CB-CG 4.31Å; R198-D200 WeakPolarHBondContact CB-OD1 3.47Å; R198-D200 IonicContact CZ-OD1 2.89Å; R198-D200 IonicContact CZ-OD2 2.8Å; R198-D200 IonicContact NE-OD1 3.43Å; R198-D200 VanDerWaalsContact NH1-CG 3.3Å; R198-D200 IonicContact NH1-OD1 2.7Å; R198-D200 PolarHBondContact NH1-OD1 3.45Å; R198-D200 VanDerWaalsContact NH1-OD1 3.11Å; R198-D200 IonicContact NH1-OD2 3.88Å; R198-D200 PolarHBondContact NH1-OD2 3.17Å; R198-D200 IonicContact NH2-OD1 3.05Å; R198-D200 IonicContact NH2-OD2 3.4Å; R198-D200 PolarHBondContact NH2-OD2 2.88Å; R198-D200 VanDerWaalsContact NH2-OD2 3.1Å; R198-D200 PolarHBondContact O-N 3.16Å; R198-E201 HydrophobicContact CB-CG 4.08Å; R198-E201 IonicContact CZ-OE1 3.11Å; R198-E201 PolarHBondContact N-OE2 3.15Å; R198-E201 IonicContact NE-OE1 2.8Å; R198-E201 PolarHBondContact NE-OE1 3.31Å; R198-E201 VanDerWaalsContact NH2-CG 3.33Å; R198-E201 IonicContact NH2-OE1 3.8Å; R198-E201 PolarHBondContact NH2-OE1 3Å; R198-E201 WeakPolarHBondContact O-CB 3.4Å; R198-E201 PolarHBondContact O-N 3.03Å; R198-L202 PolarHBondContact O-N 2.9Å
199S84.8Confident86.2Confident50 Ų5066.2 Ų66.235%0.3534%0.338SS..Hα-helixtrans-68-33.4-178.755.90000112.7E201 L202 A203S199-E201 PolarHBondContact O-N 2.89Å; S199-L202 PolarHBondContact O-N 3.3Å; S199-A203 WeakPolarHBondContact O-CB 3.32Å; S199-A203 PolarHBondContact O-N 3.37Å
200D83.7Confident86.1Confident77 Ų7763.7 Ų63.741%0.41233%0.334SS..Hα-helixtrans-64.7-29.2174.864.7-56.7000112.4R198 R204R198-D200 WeakPolarHBondContact CB-OD1 3.47Å; R198-D200 IonicContact CZ-OD1 2.89Å; R198-D200 IonicContact CZ-OD2 2.8Å; R198-D200 IonicContact NE-OD1 3.43Å; R198-D200 VanDerWaalsContact NH1-CG 3.3Å; R198-D200 IonicContact NH1-OD1 2.7Å; R198-D200 PolarHBondContact NH1-OD1 3.45Å; R198-D200 VanDerWaalsContact NH1-OD1 3.11Å; R198-D200 IonicContact NH1-OD2 3.88Å; R198-D200 PolarHBondContact NH1-OD2 3.17Å; R198-D200 IonicContact NH2-OD1 3.05Å; R198-D200 IonicContact NH2-OD2 3.4Å; R198-D200 PolarHBondContact NH2-OD2 2.88Å; R198-D200 VanDerWaalsContact NH2-OD2 3.1Å; R198-D200 PolarHBondContact O-N 3.16Å; D200-R204 VanDerWaalsContact O-CB 3.3Å; D200-R204 WeakPolarHBondContact O-CB 3.45Å; D200-R204 PolarHBondContact O-N 3.38Å
201E86.7Confident85.8Confident39 Ų3957 Ų5718%0.18232%0.316CS..Hα-helixtrans-73.3-44.8175.9-64.3171.8169.400111.6F196 A197 R198 S199 A203 R204 H205F196-E201 HydrophobicContact CB-CB 3.97Å; F196-E201 HydrophobicContact CD1-CB 3.72Å; F196-E201 HydrophobicContact CG-CB 4.09Å; A197-E201 PolarHBondContact N-OE2 3.45Å; R198-E201 HydrophobicContact CB-CG 4.08Å; R198-E201 IonicContact CZ-OE1 3.11Å; R198-E201 PolarHBondContact N-OE2 3.15Å; R198-E201 IonicContact NE-OE1 2.8Å; R198-E201 PolarHBondContact NE-OE1 3.31Å; R198-E201 VanDerWaalsContact NH2-CG 3.33Å; R198-E201 IonicContact NH2-OE1 3.8Å; R198-E201 PolarHBondContact NH2-OE1 3Å; R198-E201 WeakPolarHBondContact O-CB 3.4Å; R198-E201 PolarHBondContact O-N 3.03Å; S199-E201 PolarHBondContact O-N 2.89Å; E201-A203 VanDerWaalsContact C-N 3.35Å; E201-R204 PolarHBondContact O-N 3.4Å; E201-H205 WeakPolarHBondContact O-CB 3.33Å; E201-H205 PolarHBondContact O-N 2.79Å
202L88.9Confident85.5Confident2 Ų255.7 Ų55.71%0.0129%0.288CS..Hα-helixtrans-60-46.6172.8176.662.4000110.5F185 E186 C187 F196 R198 S199 R204 H205 Y206F185-L202 HydrophobicContact CB-CB 4.09Å; F185-L202 HydrophobicContact CB-CD2 3.86Å; E186-L202 WeakPolarHBondContact O-CD1 3.21Å; E186-L202 WeakPolarHBondContact O-CD2 3.18Å; C187-L202 HydrophobicContact CB-CD1 4.03Å; F196-L202 HydrophobicContact CB-CB 4.35Å; F196-L202 HydrophobicContact CD2-CB 3.96Å; F196-L202 HydrophobicContact CD2-CD1 3.75Å; F196-L202 HydrophobicContact CD2-CG 4.48Å; F196-L202 HydrophobicContact CE2-CD1 3.98Å; F196-L202 HydrophobicContact CG-CB 4.32Å; R198-L202 PolarHBondContact O-N 2.9Å; S199-L202 PolarHBondContact O-N 3.3Å; L202-R204 VanDerWaalsContact C-N 3.3Å; L202-R204 PolarHBondContact O-N 2.76Å; L202-H205 CarbonylContact O-C 3.3Å; L202-H205 WeakPolarHBondContact O-CA 3.32Å; L202-H205 WeakPolarHBondContact O-CB 3.48Å; L202-H205 PolarHBondContact O-N 3.29Å; L202-Y206 HydrophobicContact CD1-CD2 3.82Å; L202-Y206 HydrophobicContact CD1-CE2 3.43Å; L202-Y206 VanDerWaalsContact CD1-CE2 3.43Å; L202-Y206 HydrophobicContact CD2-CE2 3.98Å; L202-Y206 HydrophobicContact CG-CD2 3.82Å; L202-Y206 HydrophobicContact CG-CE2 3.56Å; L202-Y206 WeakPolarHBondContact O-CD2 3.43Å; L202-Y206 PolarHBondContact O-N 3.18Å
203A86.2Confident85.2Confident19 Ų1960.6 Ų60.616%0.15731%0.307CS..Hα-helixtrans-57-43.3177.500000112.8I96 S199 E201 H205I96-A203 VanDerWaalsContact CD1-CA 3.49Å; I96-A203 HydrophobicContact CD1-CB 3.36Å; I96-A203 HydrophobicContact CG1-CB 4.49Å; S199-A203 WeakPolarHBondContact O-CB 3.32Å; S199-A203 PolarHBondContact O-N 3.37Å; E201-A203 VanDerWaalsContact C-N 3.35Å; A203-H205 VanDerWaalsContact C-N 3.34Å
204R85.2Confident85.1Confident86 Ų8658.3 Ų58.333%0.32529%0.29SS..Hα-helixtrans-67.9-36.8176.1179.5-178.765.2177.4-4.2111.6D200 E201 L202 R207 R226D200-R204 VanDerWaalsContact O-CB 3.3Å; D200-R204 WeakPolarHBondContact O-CB 3.45Å; D200-R204 PolarHBondContact O-N 3.38Å; E201-R204 PolarHBondContact O-N 3.4Å; L202-R204 VanDerWaalsContact C-N 3.3Å; L202-R204 PolarHBondContact O-N 2.76Å; R204-R207 WeakPolarHBondContact O-CB 3.34Å; R204-R207 PolarHBondContact O-N 3.43Å; R204-R226 HydrophobicContact CG-CG 4.26Å
205H88.3Confident85Confident14 Ų1455.7 Ų55.77%0.06528%0.279CS..Hα-helixtrans-67-39.9176.7171.946.6000112.1C192 F196 E201 L202 A203 R207 T208 H209C192-H205 PolarHBondContact SG-NE2 3.43Å; F196-H205 HydrophobicContact CE1-CB 3.98Å; F196-H205 HydrophobicContact CE2-CB 3.79Å; F196-H205 AromaticContact CE2-CD2 3.24Å; F196-H205 WeakPolarHBondContact CE2-CD2 3.44Å; F196-H205 AromaticContact CE2-CG 3.67Å; F196-H205 HydrophobicContact CZ-CB 3.36Å; F196-H205 AromaticContact CZ-CD2 3.34Å; F196-H205 WeakPolarHBondContact CZ-CD2 3.41Å; F196-H205 AromaticContact CZ-CG 3.29Å; E201-H205 WeakPolarHBondContact O-CB 3.33Å; E201-H205 PolarHBondContact O-N 2.79Å; L202-H205 CarbonylContact O-C 3.3Å; L202-H205 WeakPolarHBondContact O-CA 3.32Å; L202-H205 WeakPolarHBondContact O-CB 3.48Å; L202-H205 PolarHBondContact O-N 3.29Å; A203-H205 VanDerWaalsContact C-N 3.34Å; H205-R207 PolarHBondContact O-N 3.22Å; H205-T208 PolarHBondContact ND1-OG1 2.8Å; H205-T208 VanDerWaalsContact ND1-OG1 3.16Å; H205-T208 WeakPolarHBondContact O-CB 3.39Å; H205-T208 PolarHBondContact O-N 3.2Å; H205-T208 PolarHBondContact O-OG1 3.26Å; H205-H209 AromaticContact CE1-CD2 3.97Å; H205-H209 AromaticContact CE1-NE2 3.23Å; H205-H209 PolarHBondContact CE1-NE2 2.9Å; H205-H209 AromaticContact NE2-NE2 3.25Å; H205-H209 PolarHBondContact NE2-NE2 3.34Å
206Y85.3Confident85Confident12 Ų1254.2 Ų54.25%0.04728%0.281CS..Hα-helixtrans-53.8-32.4176-90.1-72000113.6I96 N188 L202 T208 H209 T210I96-Y206 HydrophobicContact CG1-CD2 4.22Å; N188-Y206 PolarHBondContact N-OH 2.9Å; L202-Y206 HydrophobicContact CD1-CD2 3.82Å; L202-Y206 HydrophobicContact CD1-CE2 3.43Å; L202-Y206 VanDerWaalsContact CD1-CE2 3.43Å; L202-Y206 HydrophobicContact CD2-CE2 3.98Å; L202-Y206 HydrophobicContact CG-CD2 3.82Å; L202-Y206 HydrophobicContact CG-CE2 3.56Å; L202-Y206 WeakPolarHBondContact O-CD2 3.43Å; L202-Y206 PolarHBondContact O-N 3.18Å; Y206-T208 PolarHBondContact O-N 2.77Å; Y206-T208 VanDerWaalsContact O-N 3.17Å; Y206-H209 WeakPolarHBondContact O-CB 3.4Å; Y206-H209 PolarHBondContact O-N 3.11Å; Y206-T210 PolarHBondContact O-N 3.46Å
207R85.3Confident85.1Confident68 Ų6852.7 Ų52.726%0.25727%0.274SS..Hα-helixtrans-62.9-21175.2-58.8178.7-174.3175.32.4113.9I92 R204 H205 H209 G211 M225I92-R207 HydrophobicContact CD1-CG 3.83Å; R204-R207 WeakPolarHBondContact O-CB 3.34Å; R204-R207 PolarHBondContact O-N 3.43Å; H205-R207 PolarHBondContact O-N 3.22Å; R207-H209 VanDerWaalsContact C-N 3.31Å; R207-G211 PolarHBondContact O-N 3.38Å; R207-M225 HydrophobicContact CB-CE 4.27Å; R207-M225 HydrophobicContact CB-CG 3.48Å; R207-M225 VanDerWaalsContact CB-CG 3.48Å; R207-M225 HydrophobicContact CB-SD 3.42Å; R207-M225 WeakPolarHBondContact CB-SD 3.24Å; R207-M225 HydrophobicContact CG-CG 4.41Å; R207-M225 PolarHBondContact NH1-O 3.47Å; R207-M225 VanDerWaalsContact O-SD 3.37Å
208T85.1Confident85.1Confident76 Ų7657.2 Ų57.247%0.46630%0.302SS..Hα-helixtrans-74.3-24.8174.5660000112.3H205 Y206 M225H205-T208 PolarHBondContact ND1-OG1 2.8Å; H205-T208 VanDerWaalsContact ND1-OG1 3.16Å; H205-T208 WeakPolarHBondContact O-CB 3.39Å; H205-T208 PolarHBondContact O-N 3.2Å; H205-T208 PolarHBondContact O-OG1 3.26Å; Y206-T208 PolarHBondContact O-N 2.77Å; Y206-T208 VanDerWaalsContact O-N 3.17Å; T208-M225 HydrophobicContact CG2-CE 3.62Å; T208-M225 HydrophobicContact CG2-SD 3.81Å
209H84.6Confident85.2Confident52 Ų5256.8 Ų56.824%0.24131%0.306CS..Hα-helixtrans-79.9-42.7175.4-66.9-69000111.4W189 H205 Y206 R207 G211W189-H209 AromaticContact CD1-CE1 3.73Å; W189-H209 AromaticContact CD1-ND1 3.41Å; W189-H209 HydrophobicContact CD2-CB 3.58Å; W189-H209 AromaticContact CD2-CG 3.55Å; W189-H209 AromaticContact CD2-ND1 3.69Å; W189-H209 AromaticContact CE2-CG 3.99Å; W189-H209 AromaticContact CE2-ND1 3.85Å; W189-H209 HydrophobicContact CE3-CB 3.55Å; W189-H209 AromaticContact CE3-CG 3.9Å; W189-H209 HydrophobicContact CG-CB 4.21Å; W189-H209 AromaticContact CG-CE1 3.71Å; W189-H209 AromaticContact CG-CG 3.63Å; W189-H209 AromaticContact CG-ND1 3.42Å; W189-H209 HydrophobicContact CH2-CB 3.98Å; W189-H209 HydrophobicContact CZ2-CB 4.02Å; W189-H209 HydrophobicContact CZ3-CB 3.76Å; W189-H209 AromaticContact NE1-ND1 3.66Å; H205-H209 AromaticContact CE1-CD2 3.97Å; H205-H209 AromaticContact CE1-NE2 3.23Å; H205-H209 PolarHBondContact CE1-NE2 2.9Å; H205-H209 AromaticContact NE2-NE2 3.25Å; H205-H209 PolarHBondContact NE2-NE2 3.34Å; Y206-H209 WeakPolarHBondContact O-CB 3.4Å; Y206-H209 PolarHBondContact O-N 3.11Å; R207-H209 VanDerWaalsContact C-N 3.31Å; H209-G211 VanDerWaalsContact C-N 3.35Å
210T82.3Confident85.4Confident56 Ų5657.1 Ų57.134%0.34431%0.308SS..Hα-helixtrans-80.3-16.7-178.962.70000113.6Y206 E212Y206-T210 PolarHBondContact O-N 3.46Å; T210-E212 PolarHBondContact O-N 3.4Å
211G80.8Confident85.5Confident47 Ų4761.2 Ų61.249%0.48532%0.324SS..  trans68.611.1-17900000114.3R207 H209 K213R207-G211 PolarHBondContact O-N 3.38Å; H209-G211 VanDerWaalsContact C-N 3.35Å; G211-K213 PolarHBondContact O-N 3.02Å; G211-K213 VanDerWaalsContact O-N 3.17Å
212E78.3Confident85.5Confident52 Ų5265.5 Ų65.524%0.24334%0.342CS..  trans-65.5114.4-175.5-73.4-172.3179.500112.8I92 T210 K214 M225I92-E212 WeakPolarHBondContact CD1-OE2 3.43Å; T210-E212 PolarHBondContact O-N 3.4Å; E212-K214 WeakPolarHBondContact OE2-CE 3.5Å; E212-K214 IonicContact OE2-NZ 3.39Å; E212-K214 PolarHBondContact OE2-NZ 3.3Å; E212-M225 WeakPolarHBondContact O-CG 3.4Å
213K82.2Confident85.6Confident119 Ų11972.8 Ų72.852%0.51737%0.37SS..  trans-106.486.2175.6-63173.1-176.8173.60111G211 R223 F224G211-K213 PolarHBondContact O-N 3.02Å; G211-K213 VanDerWaalsContact O-N 3.17Å; K213-R223 HydrophobicContact CB-CB 3.62Å; K213-R223 HydrophobicContact CD-CB 4.1Å; K213-R223 HydrophobicContact CG-CB 4.46Å; K213-R223 PolarHBondContact O-NE 3.44Å; K213-R223 PolarHBondContact O-NH2 3.49Å; K213-F224 CarbonylContact C-O 3.51Å; K213-F224 WeakPolarHBondContact CA-O 3.3Å
214K83.8Confident85.6Confident106 Ų10673.5 Ų73.546%0.46137%0.369SS..  trans-76-20.5-176.5-58.8-168-176.9-169.60114.3E212 F224E212-K214 WeakPolarHBondContact OE2-CE 3.5Å; E212-K214 IonicContact OE2-NZ 3.39Å; E212-K214 PolarHBondContact OE2-NZ 3.3Å; K214-F224 PolarHBondContact N-O 2.97Å
215F85.6Confident85.6Confident64 Ų6471.2 Ų71.228%0.28136%0.363SS..EExtended strand (participates in β ladder)trans-108.5107.6-170.5-58.4-80.1000110.9R223 F224 R226 L230F215-R223 CarbonylContact O-C 3.56Å; F215-R223 WeakPolarHBondContact O-CA 3.3Å; F215-F224 HydrophobicContact CB-CB 4.28Å; F215-F224 WeakPolarHBondContact CB-O 3.47Å; F215-F224 PolarHBondContact N-O 3.22Å; F215-F224 PolarHBondContact O-N 3Å; F215-R226 VanDerWaalsContact CD2-C 3.44Å; F215-L230 HydrophobicContact CB-CB 4.19Å; F215-L230 HydrophobicContact CB-CD2 3.92Å
216S90.2Very high85.4Confident67 Ų6773 Ų7347%0.46937%0.369SS..EExtended strand (participates in β ladder)trans-93.6144.6174.1520000111.8L230S216-L230 WeakPolarHBondContact O-CD2 3.47Å
217C89.4Confident85.6Confident1 Ų175.4 Ų75.41%0.00739%0.388CS..  trans-76.5126.4167.4-174.70000109.5L219 E221 K222 F224 L230 H233C217-L219 PolarHBondContact O-N 3.35Å; C217-E221 WeakPolarHBondContact O-CA 3.19Å; C217-E221 PolarHBondContact O-N 3.34Å; C217-K222 PolarHBondContact N-O 3.23Å; C217-F224 HydrophobicContact CB-CE2 4.26Å; C217-L230 HydrophobicContact CB-CD1 3.79Å; C217-H233 VanDerWaalsContact SG-CD2 3.53Å; C217-H233 PolarHBondContact SG-NE2 3.14Å; C217-H233 VanDerWaalsContact SG-NE2 3.42Å
218P85.5Confident85.7Confident110 Ų11074.6 Ų74.671%0.71439%0.389SS*.THydrogen-bonded Turntrans-71.4-15178.628.6-34.6000113.4
219L86.7Confident85.9Confident76 Ų7674.4 Ų74.440%0.39838%0.382SS..THydrogen-bonded Turntrans-95.6-28.4-174.8-61.5174.3000113.6C217 H237 M244 L245C217-L219 PolarHBondContact O-N 3.35Å; L219-H237 HydrophobicContact CD1-CB 3.37Å; L219-M244 HydrophobicContact CD2-CB 4.31Å; L219-L245 HydrophobicContact CD1-CD2 4.43Å
220C89.8Confident86.3Confident57 Ų5773.3 Ų73.339%0.38538%0.378SS..THydrogen-bonded Turntrans-140.512.7-179.170.60000113.3K222 H233 H237C220-K222 PolarHBondContact O-N 3.25Å; C220-H233 PolarHBondContact SG-NE2 2.72Å; C220-H237 PolarHBondContact SG-NE2 3.35Å
221E85.9Confident86.7Confident162 Ų16274 Ų7476%0.75738%0.382SS*.  trans59.10.9175.4-57.3-173.6167.800116.2C217 R223C217-E221 WeakPolarHBondContact O-CA 3.19Å; C217-E221 PolarHBondContact O-N 3.34Å; E221-R223 WeakPolarHBondContact O-CG 3.5Å; E221-R223 PolarHBondContact O-N 3.34Å
222K87.3Confident87.1Confident130 Ų13078.4 Ų78.457%0.56539%0.388SS*.  trans-59.2128.6179.2-163.6163.5-171.8164.90110.4C217 C220 F224C217-K222 PolarHBondContact N-O 3.23Å; C220-K222 PolarHBondContact O-N 3.25Å; K222-F224 HydrophobicContact CB-CE2 4.07Å; K222-F224 HydrophobicContact CB-CZ 4.21Å; K222-F224 HydrophobicContact CD-CZ 4.19Å; K222-F224 HydrophobicContact CG-CE2 4.21Å; K222-F224 HydrophobicContact CG-CZ 3.97Å; K222-F224 WeakPolarHBondContact O-CD2 3.28Å; K222-F224 WeakPolarHBondContact O-CE2 3.32Å
223R89.1Confident87.7Confident154 Ų15477.5 Ų77.558%0.58138%0.384SS*.EExtended strand (participates in β ladder)trans-97.4140.3-175.8-52.7-177.369.3134.7-1.6111.9K213 F215 E221K213-R223 HydrophobicContact CB-CB 3.62Å; K213-R223 HydrophobicContact CD-CB 4.1Å; K213-R223 HydrophobicContact CG-CB 4.46Å; K213-R223 PolarHBondContact O-NE 3.44Å; K213-R223 PolarHBondContact O-NH2 3.49Å; F215-R223 CarbonylContact O-C 3.56Å; F215-R223 WeakPolarHBondContact O-CA 3.3Å; E221-R223 WeakPolarHBondContact O-CG 3.5Å; E221-R223 PolarHBondContact O-N 3.34Å
224F86.2Confident87.9Confident34 Ų3472.5 Ų72.515%0.14937%0.365CS..EExtended strand (participates in β ladder)trans-127.1146.9-178-58.4-88000110K213 K214 F215 C217 K222 R226 H229 L230 H233K213-F224 CarbonylContact C-O 3.51Å; K213-F224 WeakPolarHBondContact CA-O 3.3Å; K214-F224 PolarHBondContact N-O 2.97Å; F215-F224 HydrophobicContact CB-CB 4.28Å; F215-F224 WeakPolarHBondContact CB-O 3.47Å; F215-F224 PolarHBondContact N-O 3.22Å; F215-F224 PolarHBondContact O-N 3Å; C217-F224 HydrophobicContact CB-CE2 4.26Å; K222-F224 HydrophobicContact CB-CE2 4.07Å; K222-F224 HydrophobicContact CB-CZ 4.21Å; K222-F224 HydrophobicContact CD-CZ 4.19Å; K222-F224 HydrophobicContact CG-CE2 4.21Å; K222-F224 HydrophobicContact CG-CZ 3.97Å; K222-F224 WeakPolarHBondContact O-CD2 3.28Å; K222-F224 WeakPolarHBondContact O-CE2 3.32Å; F224-R226 VanDerWaalsContact C-N 3.27Å; F224-H229 HydrophobicContact CB-CB 4.37Å; F224-H229 HydrophobicContact CD1-CB 3.93Å; F224-H229 HydrophobicContact CG-CB 4.42Å; F224-L230 HydrophobicContact CB-CB 4.35Å; F224-L230 HydrophobicContact CD2-CB 3.9Å; F224-L230 HydrophobicContact CD2-CD1 3.91Å; F224-L230 HydrophobicContact CE2-CD1 4.02Å; F224-L230 HydrophobicContact CG-CB 4.24Å; F224-H233 HydrophobicContact CE1-CB 3.99Å; F224-H233 HydrophobicContact CE2-CB 4.04Å; F224-H233 AromaticContact CE2-CD2 3.51Å; F224-H233 AromaticContact CE2-CG 3.74Å; F224-H233 HydrophobicContact CZ-CB 3.5Å; F224-H233 VanDerWaalsContact CZ-CB 3.5Å; F224-H233 AromaticContact CZ-CD2 3.49Å; F224-H233 VanDerWaalsContact CZ-CD2 3.49Å; F224-H233 WeakPolarHBondContact CZ-CD2 3.44Å; F224-H233 AromaticContact CZ-CG 3.24Å; F224-H233 AromaticContact CZ-ND1 3.65Å; F224-H233 AromaticContact CZ-NE2 4Å
225M86Confident88.1Confident39 Ų3975.1 Ų75.119%0.19237%0.372CS..SBendtrans-76.1-18.1174.2-169.4-178.578.200112.4R207 T208 E212R207-M225 HydrophobicContact CB-CE 4.27Å; R207-M225 HydrophobicContact CB-CG 3.48Å; R207-M225 VanDerWaalsContact CB-CG 3.48Å; R207-M225 HydrophobicContact CB-SD 3.42Å; R207-M225 WeakPolarHBondContact CB-SD 3.24Å; R207-M225 HydrophobicContact CG-CG 4.41Å; R207-M225 PolarHBondContact NH1-O 3.47Å; R207-M225 VanDerWaalsContact O-SD 3.37Å; T208-M225 HydrophobicContact CG2-CE 3.62Å; T208-M225 HydrophobicContact CG2-SD 3.81Å; E212-M225 WeakPolarHBondContact O-CG 3.4Å
226R85.2Confident88.1Confident50 Ų5080 Ų8019%0.18939%0.388CS..SBendtrans-136.6142.9-173.3-63166.150.4173.92.9112.3R204 F215 F224 D228 H229 L230R204-R226 HydrophobicContact CG-CG 4.26Å; F215-R226 VanDerWaalsContact CD2-C 3.44Å; F224-R226 VanDerWaalsContact C-N 3.27Å; R226-D228 VanDerWaalsContact CB-OD1 3.23Å; R226-D228 WeakPolarHBondContact CB-OD1 3.39Å; R226-D228 IonicContact CZ-OD1 3.2Å; R226-D228 IonicContact CZ-OD2 3.18Å; R226-D228 IonicContact NE-OD1 2.77Å; R226-D228 PolarHBondContact NE-OD1 3.24Å; R226-D228 IonicContact NE-OD2 3.1Å; R226-D228 IonicContact NH2-OD1 2.75Å; R226-D228 PolarHBondContact NH2-OD1 3.37Å; R226-D228 VanDerWaalsContact NH2-OD1 3.1Å; R226-D228 IonicContact NH2-OD2 2.8Å; R226-D228 PolarHBondContact NH2-OD2 3.22Å; R226-H229 HydrophobicContact CB-CB 4.33Å; R226-H229 VanDerWaalsContact CD-NE2 3.33Å; R226-H229 WeakPolarHBondContact CD-NE2 3.46Å; R226-H229 PolarHBondContact NE-NE2 3.13Å; R226-H229 PolarHBondContact NH1-CE1 3.3Å; R226-H229 PolarHBondContact NH1-NE2 3.26Å; R226-H229 VanDerWaalsContact NH1-NE2 3.2Å; R226-H229 PolarHBondContact O-N 3.43Å; R226-L230 PolarHBondContact O-N 3.38Å; R226-L230 VanDerWaalsContact O-N 3.15Å
227S87.9Confident87.7Confident63 Ų6378.9 Ų78.944%0.44138%0.375SS..Hα-helixtrans-68-34.1178.5560000113.1H229 L230 T231S227-H229 VanDerWaalsContact C-N 3.33Å; S227-L230 PolarHBondContact O-N 2.89Å; S227-T231 WeakPolarHBondContact O-CB 3.23Å; S227-T231 PolarHBondContact O-N 3.41Å; S227-T231 PolarHBondContact O-OG1 3.37Å
228D87.8Confident87Confident52 Ų5280.1 Ų80.128%0.27839%0.386SS..Hα-helixtrans-69.5-33.6177.769.2-65.8000111.7R226 T231 K232R226-D228 VanDerWaalsContact CB-OD1 3.23Å; R226-D228 WeakPolarHBondContact CB-OD1 3.39Å; R226-D228 IonicContact CZ-OD1 3.2Å; R226-D228 IonicContact CZ-OD2 3.18Å; R226-D228 IonicContact NE-OD1 2.77Å; R226-D228 PolarHBondContact NE-OD1 3.24Å; R226-D228 IonicContact NE-OD2 3.1Å; R226-D228 IonicContact NH2-OD1 2.75Å; R226-D228 PolarHBondContact NH2-OD1 3.37Å; R226-D228 VanDerWaalsContact NH2-OD1 3.1Å; R226-D228 IonicContact NH2-OD2 2.8Å; R226-D228 PolarHBondContact NH2-OD2 3.22Å; D228-T231 PolarHBondContact O-N 2.86Å; D228-K232 WeakPolarHBondContact O-CG 3.38Å; D228-K232 PolarHBondContact O-N 2.81Å
229H90.1Very high86.3Confident71 Ų7181.3 Ų81.333%0.32939%0.386SS..Hα-helixtrans-66.9-45171.6-66-20000111.6F224 R226 S227 T231 K232 H233F224-H229 HydrophobicContact CB-CB 4.37Å; F224-H229 HydrophobicContact CD1-CB 3.93Å; F224-H229 HydrophobicContact CG-CB 4.42Å; R226-H229 HydrophobicContact CB-CB 4.33Å; R226-H229 VanDerWaalsContact CD-NE2 3.33Å; R226-H229 WeakPolarHBondContact CD-NE2 3.46Å; R226-H229 PolarHBondContact NE-NE2 3.13Å; R226-H229 PolarHBondContact NH1-CE1 3.3Å; R226-H229 PolarHBondContact NH1-NE2 3.26Å; R226-H229 VanDerWaalsContact NH1-NE2 3.2Å; R226-H229 PolarHBondContact O-N 3.43Å; S227-H229 VanDerWaalsContact C-N 3.33Å; H229-T231 VanDerWaalsContact C-N 3.3Å; H229-T231 PolarHBondContact O-N 3.03Å; H229-K232 PolarHBondContact O-N 3.1Å; H229-H233 VanDerWaalsContact O-CB 3.27Å; H229-H233 WeakPolarHBondContact O-CB 3.27Å; H229-H233 PolarHBondContact O-N 3.48Å
230L92.4Very high85.4Confident30 Ų3085.4 Ų85.416%0.15740%0.401CS..Hα-helixtrans-57.7-44.7171.3170.161.7000111.1F215 S216 C217 F224 R226 S227 H233 A234F215-L230 HydrophobicContact CB-CB 4.19Å; F215-L230 HydrophobicContact CB-CD2 3.92Å; S216-L230 WeakPolarHBondContact O-CD2 3.47Å; C217-L230 HydrophobicContact CB-CD1 3.79Å; F224-L230 HydrophobicContact CB-CB 4.35Å; F224-L230 HydrophobicContact CD2-CB 3.9Å; F224-L230 HydrophobicContact CD2-CD1 3.91Å; F224-L230 HydrophobicContact CE2-CD1 4.02Å; F224-L230 HydrophobicContact CG-CB 4.24Å; R226-L230 PolarHBondContact O-N 3.38Å; R226-L230 VanDerWaalsContact O-N 3.15Å; S227-L230 PolarHBondContact O-N 2.89Å; L230-H233 CarbonylContact O-C 3.59Å; L230-H233 WeakPolarHBondContact O-CB 3.5Å; L230-H233 PolarHBondContact O-N 3.32Å; L230-A234 VanDerWaalsContact O-CB 3.29Å; L230-A234 WeakPolarHBondContact O-CB 3.33Å; L230-A234 PolarHBondContact O-N 3.48Å
231T89.9Confident84.1Confident69 Ų6987.5 Ų87.542%0.42341%0.405SS..Hα-helixtrans-62.9-46.5-178.8-57.10000111.2S227 D228 H229 H233 A234 R235S227-T231 WeakPolarHBondContact O-CB 3.23Å; S227-T231 PolarHBondContact O-N 3.41Å; S227-T231 PolarHBondContact O-OG1 3.37Å; D228-T231 PolarHBondContact O-N 2.86Å; H229-T231 VanDerWaalsContact C-N 3.3Å; H229-T231 PolarHBondContact O-N 3.03Å; T231-H233 VanDerWaalsContact C-N 3.3Å; T231-H233 PolarHBondContact O-N 2.86Å; T231-A234 PolarHBondContact O-N 3.25Å; T231-R235 WeakPolarHBondContact O-CG 3.49Å; T231-R235 PolarHBondContact O-N 3.5Å
232K89.5Confident82.7Confident140 Ų14085.4 Ų85.461%0.60941%0.405SS*.Hα-helixtrans-61-40.8175-72.8178-177.1-174.20111.7D228 H229 R236D228-K232 WeakPolarHBondContact O-CG 3.38Å; D228-K232 PolarHBondContact O-N 2.81Å; H229-K232 PolarHBondContact O-N 3.1Å; K232-R236 PolarHBondContact O-N 3.06Å
233H90.4Very high81.2Confident34 Ų3483.1 Ų83.116%0.15741%0.406CS..Hα-helixtrans-65.1-45.6175.617177.1000112.3C217 C220 F224 H229 L230 T231 R235 R236 H237C217-H233 VanDerWaalsContact SG-CD2 3.53Å; C217-H233 PolarHBondContact SG-NE2 3.14Å; C217-H233 VanDerWaalsContact SG-NE2 3.42Å; C220-H233 PolarHBondContact SG-NE2 2.72Å; F224-H233 HydrophobicContact CE1-CB 3.99Å; F224-H233 HydrophobicContact CE2-CB 4.04Å; F224-H233 AromaticContact CE2-CD2 3.51Å; F224-H233 AromaticContact CE2-CG 3.74Å; F224-H233 HydrophobicContact CZ-CB 3.5Å; F224-H233 VanDerWaalsContact CZ-CB 3.5Å; F224-H233 AromaticContact CZ-CD2 3.49Å; F224-H233 VanDerWaalsContact CZ-CD2 3.49Å; F224-H233 WeakPolarHBondContact CZ-CD2 3.44Å; F224-H233 AromaticContact CZ-CG 3.24Å; F224-H233 AromaticContact CZ-ND1 3.65Å; F224-H233 AromaticContact CZ-NE2 4Å; H229-H233 VanDerWaalsContact O-CB 3.27Å; H229-H233 WeakPolarHBondContact O-CB 3.27Å; H229-H233 PolarHBondContact O-N 3.48Å; L230-H233 CarbonylContact O-C 3.59Å; L230-H233 WeakPolarHBondContact O-CB 3.5Å; L230-H233 PolarHBondContact O-N 3.32Å; T231-H233 VanDerWaalsContact C-N 3.3Å; T231-H233 PolarHBondContact O-N 2.86Å; H233-R235 VanDerWaalsContact C-N 3.28Å; H233-R235 PolarHBondContact O-N 3.33Å; H233-R236 VanDerWaalsContact O-CB 3.25Å; H233-R236 WeakPolarHBondContact O-CB 3.46Å; H233-R236 PolarHBondContact O-N 3.29Å; H233-H237 AromaticContact CD2-CD2 3.91Å; H233-H237 AromaticContact CD2-NE2 3.87Å; H233-H237 AromaticContact CE1-NE2 3.39Å; H233-H237 PolarHBondContact CE1-NE2 3.2Å; H233-H237 AromaticContact NE2-CD2 3.5Å; H233-H237 AromaticContact NE2-NE2 2.99Å; H233-H237 PolarHBondContact NE2-NE2 2.77Å; H233-H237 PolarHBondContact O-N 2.98Å
234A87.6Confident79.6Confident14 Ų1481.3 Ų81.312%0.11641%0.405CS..Hα-helixtrans-63.9-32.8178.900000112.3L230 T231 R236 H237 A238 L245L230-A234 VanDerWaalsContact O-CB 3.29Å; L230-A234 WeakPolarHBondContact O-CB 3.33Å; L230-A234 PolarHBondContact O-N 3.48Å; T231-A234 PolarHBondContact O-N 3.25Å; A234-R236 VanDerWaalsContact C-N 3.26Å; A234-R236 PolarHBondContact O-N 2.91Å; A234-H237 WeakPolarHBondContact O-CB 3.33Å; A234-H237 PolarHBondContact O-N 2.87Å; A234-H237 VanDerWaalsContact O-N 3.15Å; A234-A238 PolarHBondContact O-N 3.12Å; A234-L245 HydrophobicContact CB-CD2 4.32Å
235R87.6Confident78.1Confident161 Ų16184.3 Ų84.361%0.60842%0.422SS*.Hα-helixtrans-61.3-34.7171.1-73.1176.9-170.8-171.21112.6T231 H233 H237 A238 N239T231-R235 WeakPolarHBondContact O-CG 3.49Å; T231-R235 PolarHBondContact O-N 3.5Å; H233-R235 VanDerWaalsContact C-N 3.28Å; H233-R235 PolarHBondContact O-N 3.33Å; R235-H237 VanDerWaalsContact C-N 3.3Å; R235-H237 PolarHBondContact O-N 3.29Å; R235-A238 WeakPolarHBondContact O-CB 3.16Å; R235-A238 PolarHBondContact O-N 2.94Å; R235-A238 VanDerWaalsContact O-N 3.15Å; R235-N239 PolarHBondContact O-N 2.96Å; R235-N239 VanDerWaalsContact O-N 3.12Å; R235-N239 PolarHBondContact O-OD1 3.31Å
236R85.1Confident76.4Confident166 Ų16691 Ų9163%0.62645%0.45SS*.Hα-helixtrans-62-42.6174.5-173.8177-67.1177.2-2.9110.4K232 H233 A234 A238 N239 F240K232-R236 PolarHBondContact O-N 3.06Å; H233-R236 VanDerWaalsContact O-CB 3.25Å; H233-R236 WeakPolarHBondContact O-CB 3.46Å; H233-R236 PolarHBondContact O-N 3.29Å; A234-R236 VanDerWaalsContact C-N 3.26Å; A234-R236 PolarHBondContact O-N 2.91Å; R236-A238 VanDerWaalsContact C-N 3.32Å; R236-A238 PolarHBondContact O-N 3.16Å; R236-N239 WeakPolarHBondContact O-CB 3.37Å; R236-N239 PolarHBondContact O-N 3.46Å; R236-F240 HydrophobicContact CG-CD2 3.98Å; R236-F240 HydrophobicContact CG-CE2 3.63Å; R236-F240 WeakPolarHBondContact O-CD2 3.44Å; R236-F240 PolarHBondContact O-N 2.8Å
237H82.8Confident74.5Confident43 Ų4398.4 Ų98.420%0.19948%0.478CS..Hα-helixtrans-63.1-36.1173.2-69.3-64.5000112.9L219 C220 H233 A234 R235 N239 F240 H241L219-H237 HydrophobicContact CD1-CB 3.37Å; C220-H237 PolarHBondContact SG-NE2 3.35Å; H233-H237 AromaticContact CD2-CD2 3.91Å; H233-H237 AromaticContact CD2-NE2 3.87Å; H233-H237 AromaticContact CE1-NE2 3.39Å; H233-H237 PolarHBondContact CE1-NE2 3.2Å; H233-H237 AromaticContact NE2-CD2 3.5Å; H233-H237 AromaticContact NE2-NE2 2.99Å; H233-H237 PolarHBondContact NE2-NE2 2.77Å; H233-H237 PolarHBondContact O-N 2.98Å; A234-H237 WeakPolarHBondContact O-CB 3.33Å; A234-H237 PolarHBondContact O-N 2.87Å; A234-H237 VanDerWaalsContact O-N 3.15Å; R235-H237 VanDerWaalsContact C-N 3.3Å; R235-H237 PolarHBondContact O-N 3.29Å; H237-N239 PolarHBondContact O-N 3.4Å; H237-F240 CarbonylContact O-C 3.48Å; H237-F240 PolarHBondContact O-N 3.35Å; H237-F240 VanDerWaalsContact O-N 3.09Å; H237-H241 WeakPolarHBondContact O-CA 3.48Å; H237-H241 WeakPolarHBondContact O-CB 3.38Å; H237-H241 PolarHBondContact O-N 3.26Å
238A74.2Confident72.2Confident27 Ų27106.8 Ų106.822%0.22350%0.5CS..Hα-helixtrans-62-33.7174.600000112.8A234 R235 R236 F240 H241 P242 L245A234-A238 PolarHBondContact O-N 3.12Å; R235-A238 WeakPolarHBondContact O-CB 3.16Å; R235-A238 PolarHBondContact O-N 2.94Å; R235-A238 VanDerWaalsContact O-N 3.15Å; R236-A238 VanDerWaalsContact C-N 3.32Å; R236-A238 PolarHBondContact O-N 3.16Å; A238-F240 VanDerWaalsContact C-N 3.27Å; A238-F240 PolarHBondContact O-N 3.49Å; A238-H241 CarbonylContact O-C 3.45Å; A238-P242 VanDerWaalsContact O-CA 3.22Å; A238-P242 WeakPolarHBondContact O-CA 3.48Å; A238-L245 HydrophobicContact CB-CD1 3.62Å; A238-L245 HydrophobicContact CB-CG 4.31Å
239N71.3Confident70.3Confident135 Ų135109.7 Ų109.772%0.72252%0.524SS*.Hα-helixtrans-71.5-24176.2-60.8-15.7000112.5R235 R236 H237R235-N239 PolarHBondContact O-N 2.96Å; R235-N239 VanDerWaalsContact O-N 3.12Å; R235-N239 PolarHBondContact O-OD1 3.31Å; R236-N239 WeakPolarHBondContact O-CB 3.37Å; R236-N239 PolarHBondContact O-N 3.46Å; H237-N239 PolarHBondContact O-N 3.4Å
240F67.2Low67.8Low163 Ų163108.7 Ų108.772%0.71553%0.533SS*.Hα-helixtrans-99.2-20.5176.2-68.5-70.5000113.3R236 H237 A238R236-F240 HydrophobicContact CG-CD2 3.98Å; R236-F240 HydrophobicContact CG-CE2 3.63Å; R236-F240 WeakPolarHBondContact O-CD2 3.44Å; R236-F240 PolarHBondContact O-N 2.8Å; H237-F240 CarbonylContact O-C 3.48Å; H237-F240 PolarHBondContact O-N 3.35Å; H237-F240 VanDerWaalsContact O-N 3.09Å; A238-F240 VanDerWaalsContact C-N 3.27Å; A238-F240 PolarHBondContact O-N 3.49Å
241H61.8Low65.3Low100 Ų100112.8 Ų112.846%0.46357%0.565SS.*  trans-148.477-174.2-145-88.4000109.9H237 A238 S243 M244H237-H241 WeakPolarHBondContact O-CA 3.48Å; H237-H241 WeakPolarHBondContact O-CB 3.38Å; H237-H241 PolarHBondContact O-N 3.26Å; A238-H241 CarbonylContact O-C 3.45Å; H241-S243 PolarHBondContact O-N 3.42Å; H241-M244 WeakPolarHBondContact ND1-CG 3.47Å
242P56.5Low62.6Low118 Ų118115.8 Ų115.877%0.76659%0.588SS**THydrogen-bonded Turntrans-65.5-6.7-166.521.9-31.6000115.5A238A238-P242 VanDerWaalsContact O-CA 3.22Å; A238-P242 WeakPolarHBondContact O-CA 3.48Å
243S56.4Low60.4Low82 Ų82114.3 Ų114.357%0.57360%0.596SS**THydrogen-bonded Turntrans-107.2-3.5-169.458.10000117.3H241H241-S243 PolarHBondContact O-N 3.42Å
244M55.1Low57.9Low116 Ų116124.4 Ų124.457%0.57163%0.633SS**  trans-111.60.6-168.2-63.5-63.1-179.600116.5L219 H241 K246L219-M244 HydrophobicContact CD2-CB 4.31Å; H241-M244 WeakPolarHBondContact ND1-CG 3.47Å; M244-K246 PolarHBondContact O-N 3.22Å
245L56.3Low55.7Low97 Ų97130.7 Ų130.751%0.50867%0.67SS.*  trans-81.251.9172.9-66.6-173.7000112.4L219 A234 A238L219-L245 HydrophobicContact CD1-CD2 4.43Å; A234-L245 HydrophobicContact CB-CD2 4.32Å; A238-L245 HydrophobicContact CB-CD1 3.62Å; A238-L245 HydrophobicContact CB-CG 4.31Å
246K50Low53.1Low180 Ų180126.1 Ų126.178%0.78367%0.673SS**  trans-111.896.9170.1-160.5142-174.81750111.3M244M244-K246 PolarHBondContact O-N 3.22Å
247R44.6Very low50.7Low205 Ų205123.7 Ų123.777%0.77468%0.681SS**  trans55.6121.1150-61.2175.271.1-141.44.2118.7
248R40.6Very low48.7Very low239 Ų239128 Ų12890%0.90271%0.71SS**  -156101.2109.9-122.9152.587.9178.54.4112.4G250R248-G250 PolarHBondContact O-N 3.49Å
249S46.7Very low46.8Very low113 Ų113132.2 Ų132.279%0.7974%0.738SS**  trans-74.4104.4148.750.20000107.3
250G38.1Very low44.9Very low50 Ų50133.1 Ų133.152%0.51574%0.743SS.*  trans-177.5100.1177.100000111.6R248R248-G250 PolarHBondContact O-N 3.49Å
251S40.3Very low43.1Very low117 Ų117134.9 Ų134.982%0.81875%0.746SS**  trans20.2101152.655.30000117.6S253S251-S253 PolarHBondContact O-N 3.47Å
252S33.5Very low41.8Very low131 Ų131135 Ų13592%0.91676%0.758SS**  trans-84.687.4157.4-83.60000109.6
253S41.8Very low40.8Very low110 Ų110139.8 Ų139.877%0.76976%0.761SS**  trans-120.398.5145.4-56.60000105.5S251S251-S253 PolarHBondContact O-N 3.47Å
254R38.5Very low39.8Very low246 Ų246140.6 Ų140.693%0.92877%0.766SS**  trans-158.9104.2157.6-115.5172164.4-156.5-7.8109.8
255T42Very low38.9Very low146 Ų146142.4 Ų142.490%0.89678%0.778SS**  trans-64.3156.3154.946.10000110.1
256G32.7Very low37.7Very low65 Ų65141.9 Ų141.967%0.6779%0.788SS**  trans139.378.1175.500000109.5
257S34.5Very low37Very low114 Ų114138.8 Ų138.880%0.79779%0.789SS**  64.6110.58672.40000114.1
258V41.4Very low36.8Very low135 Ų135134.5 Ų134.582%0.81879%0.791SS**  trans-2131.8154.4-63.60000118.9
259S33.9Very low37Very low114 Ų114128.9 Ų128.980%0.79779%0.785SS**  -167.7114.2127.91.10000111.1
260D31.9Very low36.7Very low155 Ų155129.5 Ų129.583%0.82978%0.784SS**  trans15.2130.2143.8-53.6-56.4000122.2
261Y28.3Very low36.8Very low200 Ų200134.8 Ų134.878%0.78480%0.799SS**  -154.3113.9122.1169.7-101.2000109.7R263Y261-R263 HydrophobicContact CE1-CB 4.48Å
262S35.4Very low36.8Very low101 Ų101134.5 Ų134.571%0.70680%0.797SS**  trans-84.1133.4162.6-59.60000109.4
263R34.2Very low37.7Very low220 Ų220133.7 Ų133.783%0.8379%0.789SS**  -174.4141126.6-116.4173.2173.1164.4-2.9113.6Y261Y261-R263 HydrophobicContact CE1-CB 4.48Å
264S36.6Very low37.6Very low99 Ų99132.7 Ų132.769%0.69279%0.787SS**  trans-70.8165.8175.2-43.80000113.8
265D34.6Very low37.6Very low154 Ų154126.3 Ų126.382%0.82478%0.78SS**  trans110.9126.8141.7-68.3-41.7000120.7
266A32.4Very low37.3Very low86 Ų86124.6 Ų124.671%0.71177%0.774SS**  trans72.9111137.600000119.4
267S35.1Very low38.7Very low114 Ų114131 Ų13180%0.79780%0.804SS**  156.7128.397.1-67.80000111.2
268S39.5Very low38.9Very low116 Ų116131.9 Ų131.981%0.81180%0.804SS**  trans-56.1163.4160.3-55.80000111.3
269P45Very low38.8Very low120 Ų120131.7 Ų131.778%0.77980%0.804SS**  -135.8130.2121.428.7-13.1000112.9
270T40.9Very low39.1Very low127 Ų127132.7 Ų132.778%0.77980%0.804SS**  trans-63.5146.614732.80000109.8
271I40.3Very low39.5Very low160 Ų160131.4 Ų131.482%0.82180%0.803SS**  trans-169.8111.4140.4-85.3140.5000106.6
272S40Very low40.2Very low111 Ų111127.1 Ų127.178%0.77680%0.804SS**  trans-84.7160147.9-51.10000107.4
273P53.2Low40.5Very low115 Ų115128.9 Ų128.975%0.74781%0.81SS**  -155.8175.389.137.8-17.9000116.6
274A38.3Very low41Very low88 Ų88122.4 Ų122.473%0.72781%0.809SS**  trans71.2138.4143.700000118.4
275S40Very low41.3Very low113 Ų113124.2 Ų124.279%0.7982%0.818SS**  cis-166.9160.13.7-84.30000109.2
276S34.8Very low41.9Very low109 Ų109121.7 Ų121.776%0.76282%0.817SS**  trans-57.5-165.5166.1-37.10000113.3
277P63Low42.7Very low201 Ų201124.9 Ų124.9100%1.30583%0.827SS**  cis-101033.136-33.7000116.2

Retrieved 277 of 277 residues in 257.8 ms (Link to these results)