A0A060WT24_ONCMY Loading...

SAM and SH3 domain containing 3

AlphaFold DB , UniProt , Accession A0A060WT24, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 401 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
1M55.2Low54.7Low236 Ų236175.2 Ų175.2100%1.16390%0.901SS**  0106.80-68.1157.869.100108.9
2L52.2Low53.8Low182 Ų182174.2 Ų174.295%0.95389%0.885SS**  trans-112.5126.6172.4-116.971.3000110
3R59Low53.1Low238 Ų238175.1 Ų175.190%0.89888%0.884SS**PPolyproline II helixtrans-85.9126.2-168.3-59.1166.977.3150.62109.3
4R63.2Low52.2Low254 Ų254172.9 Ų172.996%0.95887%0.869SS**PPolyproline II helixtrans-68.3130.5167.3-71.6-179.7172.5149.9-1.9108.8
5K68Low51.2Low195 Ų195170.7 Ų170.785%0.84887%0.867SS**PPolyproline II helixtrans-87151171.1-78.2-173.3174.4-1780110
6P64.5Low50.6Low128 Ų128170.7 Ų170.783%0.83186%0.863SS**PPolyproline II helixtrans-83.8149.2174.434.9-33.8000111.2
7S46.8Very low49.9Very low121 Ų121172.2 Ų172.285%0.84687%0.866SS**  trans-132.5103.5165.331.50000109.4
8N48.8Very low49.5Very low168 Ų168173.4 Ų173.490%0.89887%0.865SS**  trans-67.5150.4164.7-96-38.4000110
9A47.6Very low48.9Very low98 Ų98170.8 Ų170.881%0.8186%0.859SS**  trans-83.2150.1169.900000111.5
10S48Very low48.6Very low116 Ų116170.2 Ų170.281%0.81185%0.853SS**  trans167.5113.6138.7179.60000110.8
11E48Very low48.3Very low191 Ų191172.1 Ų172.189%0.89386%0.856SS**  trans-142.784.3152.6-164.9158.8-169.500111.2
12K44.9Very low48Very low163 Ų163169.8 Ų169.871%0.70984%0.839SS**  33.5112.9129.4-161-174.7-169.2-173.80118.7
13E43.8Very low47.8Very low186 Ų186170.5 Ų170.587%0.86984%0.835SS**  trans-133.7140.3130.6-159.7169.3179.300110
14Q41.4Very low47.1Very low144 Ų144167.6 Ų167.667%0.67384%0.836SS**  trans-121.8122.3177.2-70.7-178.512.600108.8
15V37.3Very low46.4Very low140 Ų140160.6 Ų160.685%0.84882%0.822SS**  trans-124.1130.4152.2179.70000107.4
16Q40.6Very low45.4Very low171 Ų171159.3 Ų159.380%0.79982%0.823SS**  trans-88.9131.7-179-62.3173.9-1.900109.7
17E39.3Very low44.8Very low197 Ų197161.2 Ų161.292%0.92182%0.821SS**  trans-143.9153.8140.5-142.5175.714900111.9
18K42.4Very low44.7Very low194 Ų194166.4 Ų166.484%0.84382%0.822SS**  trans-78.1151.6-173.3-66.9165175.8167.70110.7
19V38.8Very low44.6Very low123 Ų123164.1 Ų164.175%0.74582%0.819SS**  163.5120.8117.6158.20000111.1
20Q42.3Very low44.5Very low159 Ų159165.3 Ų165.374%0.74382%0.822SS**  trans46.198.5153.9-61.1177.530.400120.2
21K41.5Very low44.3Very low211 Ų211165.2 Ų165.292%0.91782%0.821SS**  trans-82.9121.3157-64.5178.4179.9177.50110.2
22K49.6Very low44.4Very low186 Ų186165.4 Ų165.481%0.80982%0.819SS**  trans-110.8111.6159.6-74.1-174.9180176.90109.4
23K48.2Very low44.9Very low197 Ų197166.3 Ų166.386%0.85782%0.823SS**  trans-76.1120.4168.1-73-179.7175-179.10108.3T25K23-T25 PolarHBondContact O-N 3.3Å
24L45.1Very low45Very low177 Ų177163.1 Ų163.193%0.92781%0.812SS**  trans-8499.6164.3-73.6170.6000108.6
25T47.6Very low44.9Very low107 Ų107165.1 Ų165.166%0.65682%0.819SS**  trans-85.1120167.544.50000108.8K23 Q27K23-T25 PolarHBondContact O-N 3.3Å; T25-Q27 VanDerWaalsContact C-N 3.27Å; T25-Q27 PolarHBondContact O-N 3.25Å
26L46.7Very low45.1Very low168 Ų168165.1 Ų165.188%0.8881%0.812SS**  trans-76.478.6-179.9-160.975.4000110.4R28L26-R28 PolarHBondContact O-N 2.85Å
27Q52.7Low45.5Very low169 Ų169166.3 Ų166.379%0.7981%0.814SS**  trans-70.5111.4173.1-76.5-78.3-80.600109.9T25 S29T25-Q27 VanDerWaalsContact C-N 3.27Å; T25-Q27 PolarHBondContact O-N 3.25Å; Q27-S29 PolarHBondContact O-N 3.13Å
28R43.1Very low45.9Very low229 Ų229163 Ų16386%0.86481%0.809SS**  trans-74.8105.8167.7-60.6172.986.1118-2.7107.6L26 S30L26-R28 PolarHBondContact O-N 2.85Å; R28-S30 VanDerWaalsContact C-N 3.35Å; R28-S30 PolarHBondContact O-N 2.99Å
29S47.3Very low45.7Very low120 Ų120163.5 Ų163.584%0.83981%0.812SS**  trans-7189.3175.651.70000110.9Q27 S31Q27-S29 PolarHBondContact O-N 3.13Å; S29-S31 PolarHBondContact O-N 2.76Å
30S46.3Very low45.7Very low123 Ų123163 Ų16386%0.8681%0.814SS**  trans-78.7102.2157.7178.10000108R28R28-S30 VanDerWaalsContact C-N 3.35Å; R28-S30 PolarHBondContact O-N 2.99Å
31S43.8Very low45.9Very low115 Ų115160.6 Ų160.680%0.80481%0.812SS**  trans-143.692.6170.7-169.70000109.6S29S29-S31 PolarHBondContact O-N 2.76Å
32F48.8Very low45.4Very low194 Ų194156.2 Ų156.285%0.85180%0.802SS**  trans-128.4103.2162.5-175.1-91.4000107.4
33K57Low44.8Very low182 Ų182153 Ų15379%0.79180%0.798SS**  trans-154.6104.8166.8-149.4160.6-169.8175.80110.7
34D45.2Very low44.3Very low120 Ų120150.1 Ų150.164%0.64280%0.797SS**  trans49.2135.7151.9-56.4-54.2000120.1
35F39.4Very low43.7Very low186 Ų186148.2 Ų148.282%0.81679%0.788SS**  -160134.3117.3-122.7-129.1000112.6
36M41.3Very low43.5Very low140 Ų140152.5 Ų152.569%0.6980%0.797SS**  trans70.8106.2154.9-58.2-58.3107.100122
37K49Very low43.1Very low195 Ų195153.4 Ų153.485%0.84880%0.797SS**  trans-59.9152.4141.4-69.8165.8171.3170.80111.1
38P48.2Very low41.8Very low127 Ų127154.8 Ų154.883%0.82580%0.801SS**  trans-108.6168.6132.832.3-28.2000111.9
39K38.3Very low41.2Very low206 Ų206149.7 Ų149.790%0.89679%0.791SS**  trans-89.5160.8-169.6-61.2163.7-178.5172.70111.4
40S38.1Very low40.4Very low113 Ų113150.8 Ų150.879%0.7979%0.786SS**  trans-66.5171.5162.963.60000111.1
41P45.7Very low39.7Very low107 Ų107150.9 Ų150.970%0.69578%0.777SS**  -153.317685.244.9-27.9000116.3
42V31.9Very low38.9Very low119 Ų119155.1 Ų155.172%0.72178%0.777SS**  trans63.8112.7160.5-173.20000116
43V37.7Very low38.1Very low118 Ų118151.3 Ų151.372%0.71577%0.77SS**  cis63.790.447.5-169.20000115
44V36.5Very low37Very low138 Ų138148.4 Ų148.484%0.83677%0.767SS**  trans-143123.2142.7170.60000108.3
45D33.9Very low36.8Very low137 Ų137148.4 Ų148.473%0.73377%0.773SS**  trans-76.3145.3172.5-45.7-85.2000111.1
46K42.2Very low36.5Very low196 Ų196147.7 Ų147.785%0.85277%0.773SS**  trans-153.7105.8143.1-153.7148.9-171.7175.70113.1
47E38.3Very low35.9Very low187 Ų187148.1 Ų148.187%0.87478%0.778SS**  trans-67.7133.9155.9-60169.7-171.200108.6
48F25.7Very low35Very low199 Ų199146.9 Ų146.987%0.87378%0.777SS**  trans-142.6146.3153.1-164.4-102.8000109.6
49N30.4Very low34.8Very low122 Ų122146.3 Ų146.365%0.65277%0.773SS**  trans-117.9153.9-164.5-150.8-60.8000109.5
50L31.1Very low34.6Very low142 Ų142143.3 Ų143.374%0.74377%0.772SS**  trans77.4152.1149.1-138.671.1000121.3
51D30.7Very low34.4Very low125 Ų125145.8 Ų145.867%0.66877%0.771SS**  trans77.798.1157.6-99.7-107.7000121.9
52Y28.6Very low33.7Very low205 Ų205147.5 Ų147.580%0.80477%0.774SS**  31.8120.5109.5-161.3-95000118.3
53T30.1Very low33.7Very low114 Ų114145.5 Ų145.570%0.69977%0.77SS**  178.7133.6124.7-74.60000110.2
54V34.6Very low33.3Very low121 Ų121146.7 Ų146.773%0.73377%0.772SS**  trans-84.3143169.8167.30000109.6
55P40.9Very low33.3Very low119 Ų119148.9 Ų148.977%0.77377%0.77SS**  -136.5164.1128.422.5-2.7000114.4
56E33Very low33.3Very low172 Ų172148 Ų14880%0.80478%0.775SS**  trans-79.6178-177-67171.1107.500114.7
57D28.2Very low32.8Very low149 Ų149142.7 Ų142.780%0.79778%0.775SS**  trans92.4147149.9-76.6-35000122.5
58M30.3Very low32.8Very low169 Ų169139.3 Ų139.383%0.83377%0.772SS**  trans-101.1-165.6-164.8-40.2-167.3-6800110.6
59P44.8Very low33.9Very low115 Ų115139.7 Ų139.775%0.74777%0.774SS**  cis-125.1-166.3-20.437.6-19.7000111.5
60V33.8Very low34.5Very low143 Ų143142.8 Ų142.887%0.86778%0.784SS**  trans177144.3135.1151.90000110.1
61E33.1Very low35.1Very low165 Ų165138.8 Ų138.877%0.77178%0.778SS**  trans-79.1-179.8-172.1-80.1-66.2149.900116.6
62D31.7Very low36.4Very low142 Ų142142.8 Ų142.876%0.75979%0.789SS**  trans88.784.8151.2-77.1-50.9000122.1
63A31.9Very low37.7Very low78 Ų78141.3 Ų141.365%0.64579%0.787SS**  80.8143.8103.700000123.7
64L28.9Very low38.8Very low142 Ų142140.7 Ų140.774%0.74379%0.787SS**  trans94.8111153.9-52.9-171.3000121.3
65K36.8Very low39.5Very low184 Ų184143.9 Ų143.980%0.879%0.786SS**  trans63.3105.2134.6-68.4168.3177.1163.70118.8
66S33.2Very low40.2Very low120 Ų120147.4 Ų147.484%0.83978%0.784SS**  -162.7129.5105.950.20000112.4
67G32.2Very low41.5Very low83 Ų83148.1 Ų148.186%0.85679%0.785SS**  trans-84.9129.717000000110.8
68S37.8Very low42.9Very low116 Ų116146.6 Ų146.681%0.81178%0.78SS**  trans-150.3132.6163.2-161.10000113.2Q70S68-Q70 PolarHBondContact O-N 2.96Å
69K49.1Very low44.2Very low208 Ų208144.3 Ų144.390%0.90477%0.77SS**  trans-58.5112.5-171.3-66160176.6169.50112.7
70Q44.8Very low44.8Very low186 Ų186144 Ų14487%0.86977%0.771SS**  trans-110.639.2167.6-75.5-90-24.300112.4S68S68-Q70 PolarHBondContact O-N 2.96Å
71G42.4Very low46Very low59 Ų59147.8 Ų147.861%0.60877%0.77SS**  trans-69.9141.8169.300000112.8
72K58.3Low47.3Very low208 Ų208145.7 Ų145.790%0.90477%0.768SS**SBendtrans7047.4156.7-49.8-178.7-178.3-177.90118.3
73K55.3Low47.9Very low175 Ų175147 Ų14776%0.76177%0.771SS**  trans-130.2-9.3165.6-68.5-176.9-175.6169.50117.6
74S53.6Low49.2Very low101 Ų101148.9 Ų148.971%0.70678%0.775SS**SBendtrans-78-32.2-170.8-163.60000116R76 K77S74-R76 VanDerWaalsContact C-N 3.28Å; S74-R76 PolarHBondContact O-N 3.2Å; S74-R76 VanDerWaalsContact O-N 3.09Å; S74-K77 PolarHBondContact O-N 2.92Å
75W48.9Very low50.7Low187 Ų187153.2 Ų153.271%0.70878%0.782SS**G310 helixtrans-65.2-23.6-167.497.8-80.6000115.5K77 I79W75-K77 VanDerWaalsContact C-N 3.3Å; W75-K77 PolarHBondContact O-N 2.82Å; W75-I79 HydrophobicContact CE3-CD1 4.07Å; W75-I79 HydrophobicContact CH2-CD1 4.09Å; W75-I79 HydrophobicContact CZ3-CD1 3.65Å
76R55.8Low51.7Low193 Ų193152.9 Ų152.973%0.72878%0.78SS**G310 helixtrans-76.3-7.2-176.6-72.6-164-81.6-134.7-0.5115.1S74S74-R76 VanDerWaalsContact C-N 3.28Å; S74-R76 PolarHBondContact O-N 3.2Å; S74-R76 VanDerWaalsContact O-N 3.09Å
77K60.6Low52.4Low188 Ų188154.2 Ų154.282%0.81778%0.783SS**G310 helixtrans-91.4-7.3177.2-81.2-173173.4-176.50114.8S74 W75S74-K77 PolarHBondContact O-N 2.92Å; W75-K77 VanDerWaalsContact C-N 3.3Å; W75-K77 PolarHBondContact O-N 2.82Å
78V57.1Low52.8Low116 Ų116154.8 Ų154.870%0.70377%0.774SS**SBendtrans-94.3-13.2-174.2-174.50000113.1
79I58.5Low53.4Low122 Ų122158.5 Ų158.563%0.62678%0.776SS**SBendtrans-83.9-16.4-173.1-61.9174.9000113.2W75 R81W75-I79 HydrophobicContact CE3-CD1 4.07Å; W75-I79 HydrophobicContact CH2-CD1 4.09Å; W75-I79 HydrophobicContact CZ3-CD1 3.65Å; I79-R81 PolarHBondContact O-N 2.67Å
80S57.9Low53.4Low109 Ų109154.6 Ų154.676%0.76277%0.77SS**  trans-94.156.5179.6610000113.3
81R58.8Low53.3Low222 Ų222151.3 Ų151.384%0.83876%0.762SS**SBendtrans-121.695.6169-158155.485.3179.56.1111.4I79I79-R81 PolarHBondContact O-N 2.67Å
82T59.4Low53.2Low120 Ų120157.7 Ų157.774%0.73678%0.776SS**  trans59.684.6158.459.90000118.5
83M44.3Very low52.5Low169 Ų169157 Ų15783%0.83377%0.773SS**  trans-123.265.2159-130.6-69.3115.800110.1
84T60.5Low51.7Low118 Ų118152 Ų15272%0.72477%0.765SS**  trans-136.541.1-178.947.40000112.7K86T84-K86 PolarHBondContact O-N 2.84Å
85R59.6Low50.8Low233 Ų233155.5 Ų155.588%0.87977%0.774SS**  trans-7681.6165.2-69.8-174.875.4-168.43.9109.4T87R85-T87 PolarHBondContact O-N 2.63Å
86K58.1Low50.2Low178 Ų178151.8 Ų151.877%0.77478%0.784SS**  trans-59.2125.7170.1-66.4174.464.4179.30108.9T84 S88T84-K86 PolarHBondContact O-N 2.84Å; K86-S88 VanDerWaalsContact C-N 3.33Å; K86-S88 PolarHBondContact O-N 2.91Å
87T47.9Very low49.3Very low147 Ų147152.1 Ų152.190%0.90279%0.793SS**  trans-71.986.9169.549.20000109.6R85R85-T87 PolarHBondContact O-N 2.63Å
88S40.5Very low48.1Very low95 Ų95152.4 Ų152.466%0.66480%0.798SS**  trans-83.7114.1173.8-720000110.6K86 T90K86-S88 VanDerWaalsContact C-N 3.33Å; K86-S88 PolarHBondContact O-N 2.91Å; S88-T90 PolarHBondContact O-N 3.17Å
89K50.9Low47Very low194 Ų194150.8 Ų150.884%0.84380%0.804SS**  trans-76106.3178.5-173.6179.8-172.4177.20109.8
90T47.2Very low45.9Very low127 Ų127148.8 Ų148.878%0.77981%0.814SS**  trans-107.189169.247.10000110.7S88 Q92S88-T90 PolarHBondContact O-N 3.17Å; T90-Q92 PolarHBondContact O-N 2.86Å
91V44.2Very low44.8Very low117 Ų117152.5 Ų152.571%0.70982%0.819SS**  trans-71.3109.8154.2172.50000106.3K93V91-K93 PolarHBondContact O-N 3.35Å; V91-K93 VanDerWaalsContact O-N 3.13Å
92Q39.7Very low43.6Very low193 Ų193147.8 Ų147.890%0.90282%0.821SS**  trans-7697.5166.3-78.1-176.8-35.500108.2T90T90-Q92 PolarHBondContact O-N 2.86Å
93K44.5Very low42.4Very low192 Ų192144.8 Ų144.884%0.83581%0.813SS**  trans-76.2138.4167.9-179.6179.1171.4-1760108.7V91V91-K93 PolarHBondContact O-N 3.35Å; V91-K93 VanDerWaalsContact O-N 3.13Å
94A37.9Very low42Very low72 Ų72145.7 Ų145.760%0.59582%0.816SS**  trans-69.2164.2177.900000113.6
95L34.1Very low40.8Very low173 Ų173148.5 Ų148.591%0.90682%0.82SS**  trans61.9110.7155.3-67.7159.9000118.3
96A36.3Very low39.4Very low109 Ų109141.1 Ų141.190%0.90182%0.817SS**  trans-168.891.4141.400000112
97E37.3Very low38.2Very low200 Ų200138 Ų13894%0.93582%0.818SS**  trans-16187134-167.9179.3-163.200109.8
98E35.9Very low37.4Very low195 Ų195139.2 Ų139.291%0.91182%0.818SS**SBendtrans-150.1147.2140.3-161.6176.2149.100107
99G33.9Very low36.9Very low81 Ų81140 Ų14084%0.83582%0.823SS**  trans-62.1176.8-16200000118.1
100G36Very low36.9Very low81 Ų81136 Ų13684%0.83582%0.817SS**  trans150.6106.5173.500000113.1
101E33.7Very low36.1Very low186 Ų186135.4 Ų135.487%0.86981%0.813SS**  trans-67.8168.9168.563.4-165.7111.800114.1
102S34.1Very low35.5Very low124 Ų124135.9 Ų135.987%0.86782%0.817SS**  trans68.3145.8167.6-147.60000115.6
103G33.3Very low35Very low56 Ų56132.9 Ų132.958%0.57781%0.807SS**  cis154.6155.93.400000109.1
104E35.9Very low34.3Very low189 Ų189134.1 Ų134.188%0.88381%0.806SS**  trans58166.8167.675.8-174.6170.100120.9
105E35.2Very low34.1Very low176 Ų176138.8 Ų138.882%0.82282%0.818SS**  trans-99.8157-164.752.9-97.19500114.8
106G31.5Very low34.7Very low79 Ų79136.4 Ų136.481%0.81481%0.813SS**  trans-175122.717300000115.4
107S32.6Very low34.3Very low113 Ų113134.9 Ų134.979%0.7981%0.808SS**  trans-86.7177.1173.3-68.90000112.8
108L30.2Very low34.5Very low172 Ų172133.1 Ų133.190%0.90180%0.804SS**  trans106.7117.1150.6-52177.3000118
109S31Very low34.3Very low111 Ų111130.2 Ų130.278%0.77680%0.8SS**  trans-67.7-168.6150.7-30.80000110.6
110P50.4Low34.3Very low110 Ų110131.2 Ų131.271%0.71480%0.8SS**  cis-143-162.3-0.326.61.3000115.3
111T29.6Very low34Very low114 Ų114130.4 Ų130.470%0.69979%0.791SS**  trans106.6132.3144.469.50000121.3
112T31.9Very low34Very low128 Ų128128.8 Ų128.879%0.78579%0.789SS**  trans56.5153.6143.548.10000120.8
113D29.8Very low34.3Very low129 Ų129134 Ų13469%0.6979%0.789SS**  cis-171.5177.9-22.8-168.54.5000106.1
114W29.6Very low34.5Very low218 Ų218136.7 Ų136.783%0.82680%0.795SS**  trans78.8117.2163-120-90.4000120.3
115M33.9Very low34.6Very low171 Ų171132 Ų13284%0.84278%0.783SS**  trans-96.4162.5149.6-85.9-84.4155.100108.3
116P46.7Very low34.6Very low122 Ų122130.1 Ų130.179%0.79278%0.783SS**  cis-141-167.418.641.5-21.8000114.1
117G28.8Very low34.6Very low77 Ų77132.1 Ų132.179%0.79478%0.783SS**  trans159.4134.8157.400000116.4
118L39.7Very low35Very low164 Ų164132.5 Ų132.586%0.85979%0.786SS**  trans-90.7165.3179.4-67.2164.4000113
119T32.3Very low35.3Very low134 Ų134133 Ų13382%0.82279%0.787SS**  trans108.5139.1149.671.60000119.8
120A33.4Very low35.4Very low102 Ų102131 Ų13184%0.84378%0.784SS**  trans45.8127.5154.300000120.2
121G31.3Very low35Very low63 Ų63130.4 Ų130.465%0.64978%0.783SS**  cis156.3163.911.300000113.4
122N33.4Very low35.5Very low153 Ų153133 Ų13382%0.81879%0.787SS**  trans68.2125148.8-48.188.5000122
123R39.5Very low35.9Very low232 Ų232135.1 Ų135.188%0.87579%0.794SS**  trans119.3146.2157-70.9167.7162.1-108.5-4.5112.8
124T37.8Very low36.4Very low113 Ų113134.8 Ų134.869%0.69380%0.797SS**  cis-168.8154.9-11.6220000107.4
125S38.2Very low36.7Very low90 Ų90129.5 Ų129.563%0.62979%0.788SS**  cis178.5154.5-19.648.80000109.4
126V34.9Very low36.8Very low138 Ų138129.8 Ų129.884%0.83679%0.787SS**  trans60.4148.4172.7-67.80000116.6
127C31.8Very low36.3Very low121 Ų121129.4 Ų129.482%0.81879%0.787SS**  cis-130.8167.624.5-58.10000114.6
128S40.1Very low37.6Very low121 Ų121131 Ų13185%0.84678%0.784SS**  trans-127140.7175.2-52.70000111.9
129I37.3Very low37.4Very low181 Ų181129.5 Ų129.593%0.92878%0.781SS**  trans-172.1143.8152.5-122.9163.2000106.7
130G32.1Very low37.5Very low69 Ų69128.1 Ų128.171%0.71178%0.777SS**  cis153.5118.7-6.300000110.4
131S42.6Very low37.8Very low98 Ų98133.3 Ų133.369%0.68578%0.775SS**  trans177.594.2166.1-173.30000105.3
132E39.5Very low38.6Very low169 Ų169137.7 Ų137.779%0.7978%0.778SS**  86.7105.979.195.1-160.477.300113.1
133D41.1Very low38.8Very low172 Ų172137.8 Ų137.892%0.9278%0.778SS**  trans-148113.9155.9-95.5-47.9000107.6
134T39.6Very low38.8Very low123 Ų123132.1 Ų132.176%0.75577%0.774SS**  trans-73.8154170.531.20000109.6
135V36.2Very low38.9Very low107 Ų107130.5 Ų130.565%0.64878%0.78SS**  cis-163.6160.58.1-105.30000110.8
136H37.1Very low39.4Very low177 Ų177132.9 Ų132.982%0.81980%0.795SS**  trans72.3107.5153-60.4-45.5000122.7
137S36.7Very low39.8Very low113 Ų113130 Ų13079%0.7979%0.794SS**  trans-50-176.4152.3-45.70000115.9
138P54.3Low40.5Very low112 Ų112131.6 Ų131.673%0.72779%0.794SS**  -140.8-178.4-51.639.9-22.8000114.1
139V35.5Very low41.2Very low131 Ų131136.3 Ų136.379%0.79479%0.793SS**  trans58.5114.6152.9170.60000118.9
140S35.7Very low41.8Very low106 Ų106135.8 Ų135.874%0.74179%0.787SS**  -175.2138.7119.8-86.80000116
141R39.4Very low42.1Very low210 Ų210138.2 Ų138.279%0.79279%0.793SS**  trans22.6130.3147.3-63.3178.2-175.5-88.7-1.4121.7
142Q47.7Very low42.4Very low156 Ų156141.7 Ų141.773%0.72980%0.803SS**  27.6128129.2-58.6177.7-95.500119.1
143L37Very low42.6Very low154 Ų154140.6 Ų140.681%0.80680%0.802SS**  -176.4139.3105.4-92.5165000111.4
144S40.9Very low42.9Very low113 Ų113138.1 Ų138.179%0.7980%0.798SS**  trans31.7128136.2-49.50000121.8
145G39.2Very low43.5Very low80 Ų80135.6 Ų135.683%0.82580%0.797SS**  trans-168.198.916300000111.5
146C48Very low44.1Very low139 Ų139141.3 Ų141.394%0.93981%0.808SS**  trans-77.5150.7174.9510000111.1
147G44.7Very low44.7Very low79 Ų79137.2 Ų137.281%0.81480%0.8SS**  trans-162.450.6-174.200000112.1R149G147-R149 PolarHBondContact O-N 3.47Å
148D46.8Very low45.3Very low153 Ų153140.4 Ų140.482%0.81880%0.802SS**  trans-75.6106.7-176.9-165.8-23.6000111.3
149R53.2Low45.1Very low221 Ų221146.3 Ų146.383%0.83481%0.81SS**  trans-145.890.9163-67.2-164.775.1-1771111.8G147G147-R149 PolarHBondContact O-N 3.47Å
150Q50.7Low45.5Very low169 Ų169145.7 Ų145.779%0.7980%0.802SS**  trans45.4102.7133.9-61173.8-11.500118.4
151S38.4Very low46.2Very low120 Ų120145.4 Ų145.484%0.83980%0.8SS**  trans-152.3107132.2-168.50000109.7
152L47.8Very low46.5Very low172 Ų172143.6 Ų143.690%0.90180%0.803SS**  trans-93.1151.6166.8-76.3168.7000108.8
153D43.9Very low46.6Very low145 Ų145146.2 Ų146.278%0.77581%0.806SS**  trans94.3100.7170.9-161.237.2000118.2
154S47.6Very low47.2Very low120 Ų120147.3 Ų147.384%0.83981%0.812SS**  trans-168.957.4140.1-81.30000108.5Y156S154-Y156 PolarHBondContact O-N 2.86Å
155G51.8Low47.7Very low70 Ų70149.3 Ų149.372%0.72281%0.809SS**  trans-88.266.917900000112.4
156Y50Low48.3Very low227 Ų227150 Ų15089%0.8979%0.79SS**  trans-149.9137.9171.7-139.3-101.8000114.3S154S154-Y156 PolarHBondContact O-N 2.86Å
157S49Very low48.7Very low91 Ų91148.5 Ų148.564%0.63678%0.781SS**  trans60.181.7171.9-1570000118.4
158Q49.1Very low49.4Very low180 Ų180148.9 Ų148.984%0.84177%0.772SS**  trans-141.152.2155.4-136.1144.331.500111.4
159R50Low50.3Low236 Ų236147 Ų14789%0.89177%0.768SS**SBendtrans-126.67.7178.9-81.8-155.3158.1-127.3-7.6116.2
160D43.9Very low51.2Low119 Ų119141 Ų14164%0.63676%0.758SS**  trans-107.51.4176.1-76.5-73.4000114.6M162D160-M162 PolarHBondContact O-N 2.93Å
161S51.3Low52.6Low100 Ų100136.2 Ų136.270%0.69973%0.733SS**THydrogen-bonded Turntrans-71.320.4-176.4-49.90000115.6
162M46Very low54.6Low172 Ų172136.9 Ų136.985%0.84773%0.732SS**THydrogen-bonded Turntrans-109.4-2.7-177.6-54.2-65.4-71.600113.6D160 L164D160-M162 PolarHBondContact O-N 2.93Å; M162-L164 VanDerWaalsContact C-N 3.31Å; M162-L164 PolarHBondContact O-N 3.49Å; M162-L164 VanDerWaalsContact O-N 3.13Å
163R49.1Very low56.3Low210 Ų210130 Ų13079%0.79270%0.702SS**  trans-83.277.8167.8-80.8-169.8168.986.70.7110.4E165R163-E165 PolarHBondContact O-N 2.96Å
164L49.2Very low58.4Low177 Ų177127.8 Ų127.893%0.92770%0.696SS**  trans-75.848.1171.1-16981.5000111.1M162M162-L164 VanDerWaalsContact C-N 3.31Å; M162-L164 PolarHBondContact O-N 3.49Å; M162-L164 VanDerWaalsContact O-N 3.13Å
165E51.8Low60.4Low155 Ų155125 Ų12572%0.72467%0.668SS**SBendtrans-145.1130.8-174.7-135.6-80.598.300108.6R163R163-E165 PolarHBondContact O-N 2.96Å
166E53.2Low62.2Low95 Ų95124.1 Ų124.144%0.44465%0.651SS.*SBendtrans62.837.3175.5-139.9177.3-153.600119.7K221E166-K221 WeakPolarHBondContact OE1-CE 3.5Å; E166-K221 IonicContact OE1-NZ 2.63Å; E166-K221 PolarHBondContact OE1-NZ 3.39Å; E166-K221 WeakPolarHBondContact OE2-CE 3.4Å; E166-K221 IonicContact OE2-NZ 2.67Å; E166-K221 PolarHBondContact OE2-NZ 3.17Å
167S54.7Low64.2Low107 Ų107113.6 Ų113.675%0.74861%0.612SS**  trans-106.371159.273.60000112
168S60Low66.4Low88 Ų88112.3 Ų112.362%0.61559%0.593SS**  trans-49.6137161.6-60.80000109.1
169P64.9Low68.6Low113 Ų113103.7 Ų103.773%0.73455%0.553SS**  trans-54.8133.8-174.121.4-32.9000109.9Y171P169-Y171 PolarHBondContact O-N 2.92Å
170P72.9Confident70.8Confident96 Ų9698.8 Ų98.862%0.62353%0.534SS*.  trans-58.8113-172.522.7-33.2000109.2T172P170-T172 PolarHBondContact O-N 2.85Å; P170-T172 PolarHBondContact O-OG1 3.14Å
171Y80.4Confident73.3Confident68 Ų6893.2 Ų93.227%0.26750%0.504SS..  trans-57.4116.9-177.4-180-89.3000109.6P169 G173 P174 F175 I206 K217P169-Y171 PolarHBondContact O-N 2.92Å; Y171-G173 VanDerWaalsContact CE1-CA 3.42Å; Y171-G173 VanDerWaalsContact CE1-O 3.23Å; Y171-G173 WeakPolarHBondContact CE1-O 3.32Å; Y171-G173 VanDerWaalsContact CZ-CA 3.42Å; Y171-G173 WeakPolarHBondContact OH-CA 3.46Å; Y171-P174 PolarHBondContact OH-O 2.98Å; Y171-F175 AromaticContact CD1-CE1 3.7Å; Y171-F175 HydrophobicContact CD1-CE1 3.7Å; Y171-F175 AromaticContact CD1-CZ 3.74Å; Y171-F175 HydrophobicContact CD1-CZ 3.74Å; Y171-F175 HydrophobicContact CE1-CD1 4.32Å; Y171-F175 AromaticContact CE1-CE1 3.94Å; Y171-F175 HydrophobicContact CE1-CE1 3.94Å; Y171-F175 HydrophobicContact CE1-CZ 4.19Å; Y171-I206 HydrophobicContact CD1-CD1 3.59Å; Y171-I206 HydrophobicContact CD1-CG1 3.89Å; Y171-I206 HydrophobicContact CD2-CD1 4.08Å; Y171-I206 HydrophobicContact CE1-CB 4.41Å; Y171-I206 HydrophobicContact CE1-CD1 3.82Å; Y171-I206 HydrophobicContact CE1-CG1 3.64Å; Y171-I206 HydrophobicContact CE1-CG2 4.01Å; Y171-I206 HydrophobicContact CE2-CD1 4.28Å; Y171-I206 HydrophobicContact CE2-CG2 3.88Å; Y171-I206 HydrophobicContact CG-CD1 3.73Å; Y171-I206 HydrophobicContact CG-CG1 4.47Å; Y171-I206 VanDerWaalsContact CZ-CG2 3.5Å; Y171-I206 WeakPolarHBondContact OH-CG2 3.15Å; Y171-K217 PolarHBondContact O-NZ 3.03Å; Y171-K217 VanDerWaalsContact O-NZ 3.14Å
172T80.6Confident75.5Confident134 Ų13491.6 Ų91.682%0.82249%0.485SS*.  trans-117.217.1-176.4-52.40000109.9P170P170-T172 PolarHBondContact O-N 2.85Å; P170-T172 PolarHBondContact O-OG1 3.14Å
173G82.9Confident77.9Confident26 Ų2686.1 Ų86.127%0.26846%0.462SS..SBendtrans-83.2177.8171.300000112.5Y171Y171-G173 VanDerWaalsContact CE1-CA 3.42Å; Y171-G173 VanDerWaalsContact CE1-O 3.23Å; Y171-G173 WeakPolarHBondContact CE1-O 3.32Å; Y171-G173 VanDerWaalsContact CZ-CA 3.42Å; Y171-G173 WeakPolarHBondContact OH-CA 3.46Å
174P87.1Confident80.2Confident99 Ų9980.8 Ų80.864%0.64345%0.449SS*.  trans-70.6140.3179.930.1-35.1000111.9Y171Y171-P174 PolarHBondContact OH-O 2.98Å
175F91.3Very high82.4Confident61 Ų6174.3 Ų74.327%0.26841%0.414SS..  trans-93.5140.9168.7-60.4-74.7000110.2Y171 Q204 I205 I206 K217Y171-F175 AromaticContact CD1-CE1 3.7Å; Y171-F175 HydrophobicContact CD1-CE1 3.7Å; Y171-F175 AromaticContact CD1-CZ 3.74Å; Y171-F175 HydrophobicContact CD1-CZ 3.74Å; Y171-F175 HydrophobicContact CE1-CD1 4.32Å; Y171-F175 AromaticContact CE1-CE1 3.94Å; Y171-F175 HydrophobicContact CE1-CE1 3.94Å; Y171-F175 HydrophobicContact CE1-CZ 4.19Å; F175-Q204 HydrophobicContact CD1-CB 3.53Å; F175-Q204 HydrophobicContact CE1-CB 3.71Å; F175-Q204 HydrophobicContact CG-CB 4Å; F175-Q204 HydrophobicContact CZ-CB 4.33Å; F175-I205 CarbonylContact C-O 3.41Å; F175-I205 VanDerWaalsContact CA-O 3.31Å; F175-I205 WeakPolarHBondContact CA-O 3.45Å; F175-I205 WeakPolarHBondContact CB-O 3.32Å; F175-I206 HydrophobicContact CD1-CG1 3.7Å; F175-I206 HydrophobicContact CE1-CD1 4.15Å; F175-I206 HydrophobicContact CE1-CG1 3.66Å; F175-K217 HydrophobicContact CE1-CB 3.99Å; F175-K217 HydrophobicContact CE1-CD 4.02Å; F175-K217 HydrophobicContact CZ-CD 3.73Å
176C89.2Confident84.4Confident53 Ų5373.2 Ų73.236%0.35841%0.411SS..  trans-96.212.3178.361.60000113.4I205 I206 K208C176-I205 PolarHBondContact N-O 2.88Å; C176-I205 PolarHBondContact SG-O 2.83Å; C176-I205 VanDerWaalsContact SG-O 3.39Å; C176-I206 PolarHBondContact SG-O 2.78Å; C176-K208 WeakPolarHBondContact O-CE 3.23Å; C176-K208 PolarHBondContact O-NZ 2.98Å; C176-K208 VanDerWaalsContact SG-CE 3.53Å
177G91.6Very high86.3Confident6 Ų669.9 Ų69.96%0.06240%0.398CS..EExtended strand (participates in β ladder)trans137.7-167.9167.700000112.6I205 D235G177-I205 WeakPolarHBondContact O-CG1 3.45Å; G177-I205 PolarHBondContact O-N 2.79Å; G177-D235 VanDerWaalsContact CA-OD1 3.31Å; G177-D235 WeakPolarHBondContact CA-OD1 3.13Å; G177-D235 WeakPolarHBondContact CA-OD2 3.23Å
178R94.6Very high88.1Confident63 Ų6368.4 Ų68.424%0.23839%0.388CS..EExtended strand (participates in β ladder)trans-120.3154.4176.3-59.4178.8-54.7-152.70.5112.9I202 I203 L233 P234 D235 E236R178-I202 HydrophobicContact CB-CG2 4.13Å; R178-I202 HydrophobicContact CG-CG2 4.48Å; R178-I203 VanDerWaalsContact CA-O 3.31Å; R178-I203 WeakPolarHBondContact CA-O 3.31Å; R178-L233 PolarHBondContact O-N 3.16Å; R178-P234 PolarHBondContact NH2-O 2.69Å; R178-D235 PolarHBondContact N-OD1 3.26Å; R178-D235 IonicContact NE-OD1 2.63Å; R178-E236 PolarHBondContact NH1-O 3.03Å; R178-E236 PolarHBondContact NH2-O 2.66Å
179A95.1Very high89.6Confident0 Ų070.1 Ų70.10%040%0.396CS..EExtended strand (participates in β ladder)trans-136.2146.2169.500000111.5I202 I203 I205 V230 N231A179-I202 CarbonylContact O-C 3.45Å; A179-I202 WeakPolarHBondContact O-CA 3.38Å; A179-I203 PolarHBondContact N-O 3.15Å; A179-I203 PolarHBondContact O-N 3.07Å; A179-I205 HydrophobicContact CB-CD1 3.97Å; A179-I205 HydrophobicContact CB-CG1 4.24Å; A179-V230 HydrophobicContact CB-CB 3.8Å; A179-V230 HydrophobicContact CB-CG2 3.51Å; A179-N231 CarbonylContact C-O 3.6Å; A179-N231 VanDerWaalsContact CA-O 3.27Å; A179-N231 WeakPolarHBondContact CA-O 3.43Å; A179-N231 WeakPolarHBondContact CB-O 3.49Å
180R96.6Very high90.9Very high133 Ų13375 Ų7550%0.50240%0.402SS..EExtended strand (participates in β ladder)trans-98.6125.1173.4-171.8171.165.3-175.3-0109.9H182 D201 V230 N231 L233R180-H182 PolarHBondContact O-N 2.94Å; R180-D201 CarbonylContact C-O 3.52Å; R180-D201 WeakPolarHBondContact CA-O 3.42Å; R180-V230 CarbonylContact O-C 3.57Å; R180-V230 WeakPolarHBondContact O-CA 3.48Å; R180-N231 PolarHBondContact N-O 3.39Å; R180-N231 PolarHBondContact O-N 3.09Å; R180-L233 HydrophobicContact CB-CD1 3.98Å; R180-L233 HydrophobicContact CB-CD2 3.95Å; R180-L233 HydrophobicContact CB-CG 3.91Å
181V97.3Very high91.7Very high2 Ų273.2 Ų73.21%0.01239%0.387CS..EExtended strand (participates in β ladder)trans-64130.9174.3179.70000109.8T183 L197 Q198 G200 D201 I203 V230V181-T183 WeakPolarHBondContact CG1-O 3.41Å; V181-L197 HydrophobicContact CG1-CB 3.81Å; V181-L197 HydrophobicContact CG1-CD1 4.46Å; V181-L197 HydrophobicContact CG2-CB 4.04Å; V181-L197 HydrophobicContact CG2-CD1 4.4Å; V181-L197 HydrophobicContact CG2-CD2 4.32Å; V181-L197 HydrophobicContact CG2-CG 4.5Å; V181-Q198 VanDerWaalsContact CB-O 3.27Å; V181-Q198 WeakPolarHBondContact CB-O 3.48Å; V181-Q198 VanDerWaalsContact CG1-O 3.31Å; V181-Q198 WeakPolarHBondContact CG1-O 3.49Å; V181-G200 PolarHBondContact O-N 3.39Å; V181-D201 HydrophobicContact CB-CB 4.2Å; V181-D201 HydrophobicContact CG2-CB 3.81Å; V181-D201 PolarHBondContact N-O 2.98Å; V181-I203 HydrophobicContact CG2-CD1 3.86Å; V181-I203 HydrophobicContact CG2-CG1 3.96Å; V181-V230 HydrophobicContact CG2-CG1 4.04Å
182H96.6Very high92.1Very high65 Ų6575.9 Ų75.930%0.30141%0.405SS..  trans-111.4-15.4173.965.666000113.6R180 K199 I228 Y229 V230 N231R180-H182 PolarHBondContact O-N 2.94Å; H182-K199 WeakPolarHBondContact O-CD 3.45Å; H182-K199 WeakPolarHBondContact O-CG 3.26Å; H182-I228 PolarHBondContact CE1-O 3.41Å; H182-I228 PolarHBondContact NE2-O 2.9Å; H182-Y229 PolarHBondContact N-O 3.42Å; H182-Y229 VanDerWaalsContact NE2-C 3.34Å; H182-V230 VanDerWaalsContact CD2-C 3.44Å; H182-V230 PolarHBondContact NE2-N 2.92Å; H182-N231 PolarHBondContact CD2-ND2 2.77Å
183T97.3Very high92.6Very high57 Ų5775.9 Ų75.935%0.3540%0.395SS..SBendtrans-131129.1-180-61.70000110V181 Y229V181-T183 WeakPolarHBondContact CG1-O 3.41Å; T183-Y229 HydrophobicContact CG2-CD1 3.85Å; T183-Y229 HydrophobicContact CG2-CE1 4.31Å; T183-Y229 PolarHBondContact N-O 3.44Å
184D96.3Very high93.1Very high98 Ų9875.7 Ų75.752%0.52439%0.39SS..  trans-64.4140.6175.5-56.1-66000111.5L197 Q198 K199D184-L197 WeakPolarHBondContact CA-O 3.49Å; D184-Q198 WeakPolarHBondContact OD1-CA 3.33Å; D184-K199 PolarHBondContact OD1-N 3.16Å
185F95.4Very high93.5Very high42 Ų4271.3 Ų71.318%0.18436%0.361CS..BIsolated β-bridgetrans-141.9127.9174.9176.8-108.8000110.7P187 L195 K196 L197 Y229F185-P187 HydrophobicContact CE1-CB 3.95Å; F185-P187 HydrophobicContact CZ-CB 4.29Å; F185-L195 WeakPolarHBondContact CD1-O 3.13Å; F185-K196 WeakPolarHBondContact O-CA 3.49Å; F185-L197 HydrophobicContact CB-CB 4.08Å; F185-L197 HydrophobicContact CB-CD1 4.09Å; F185-L197 HydrophobicContact CB-CG 4.08Å; F185-L197 HydrophobicContact CD1-CG 4.43Å; F185-L197 PolarHBondContact N-O 3.34Å; F185-L197 PolarHBondContact O-N 2.81Å; F185-Y229 HydrophobicContact CB-CD2 4.14Å; F185-Y229 HydrophobicContact CB-CE2 4.21Å; F185-Y229 AromaticContact CD2-CE2 3.85Å; F185-Y229 HydrophobicContact CD2-CE2 3.85Å; F185-Y229 HydrophobicContact CE2-CE2 4.42Å; F185-Y229 HydrophobicContact CG-CD2 4.29Å; F185-Y229 AromaticContact CG-CE2 3.96Å; F185-Y229 HydrophobicContact CG-CE2 3.96Å
186I94.7Very high93.7Very high131 Ų13173.7 Ų73.767%0.67237%0.371SS*.  trans-115.6113.3175.3-57.8177.3000106.9
187P93.2Very high94Very high26 Ų2671.2 Ų71.217%0.16936%0.355CS..  trans-68.6162.3177.528.9-35.7000111.9F185 D191 K196F185-P187 HydrophobicContact CE1-CB 3.95Å; F185-P187 HydrophobicContact CZ-CB 4.29Å; P187-D191 HydrophobicContact CB-CB 4.35Å; P187-K196 HydrophobicContact CG-CB 4.43Å
188S92.7Very high94.2Very high76 Ų7675.7 Ų75.753%0.53137%0.374SS..  trans-63.3146.4171.4-64.70000110.3Y190 D191S188-Y190 PolarHBondContact O-N 3.25Å; S188-D191 WeakPolarHBondContact O-CB 3.19Å; S188-D191 PolarHBondContact O-N 2.76Å
189P91.1Very high94.3Very high123 Ų12379.8 Ų79.880%0.79939%0.393SS*.THydrogen-bonded Turntrans-59.6-15.3177.7-2735.8000115.8
190Y92Very high94.3Very high215 Ų21581.9 Ų81.984%0.84341%0.414SS*.THydrogen-bonded Turntrans-94.2-7.6175.7-55-73.2000113.4S188 I192S188-Y190 PolarHBondContact O-N 3.25Å; Y190-I192 PolarHBondContact O-N 2.91Å
191D89.3Confident94.3Very high60 Ų6077.2 Ų77.232%0.32140%0.399SS..  trans-98.876.8-179.1-175.3-2.6000108.9P187 S188 E193 S194P187-D191 HydrophobicContact CB-CB 4.35Å; S188-D191 WeakPolarHBondContact O-CB 3.19Å; S188-D191 PolarHBondContact O-N 2.76Å; D191-E193 PolarHBondContact O-N 2.8Å; D191-S194 VanDerWaalsContact CG-CB 3.43Å; D191-S194 WeakPolarHBondContact OD1-CB 3.31Å; D191-S194 PolarHBondContact OD1-N 3.35Å; D191-S194 PolarHBondContact OD1-OG 2.92Å; D191-S194 VanDerWaalsContact OD2-CB 3.25Å; D191-S194 WeakPolarHBondContact OD2-CB 3.27Å; D191-S194 PolarHBondContact OD2-OG 3.32Å
192I89.3Confident94.2Very high123 Ų12381.5 Ų81.563%0.63142%0.421SS*.SBendtrans-68.5-20.3-18062175.1000112.8Y190Y190-I192 PolarHBondContact O-N 2.91Å
193E91.1Very high94.1Very high135 Ų13578.4 Ų78.463%0.63141%0.407SS*.SBendtrans-83.8-28.5-178.7-63.4-173.2174.700111.9D191 G223 T224D191-E193 PolarHBondContact O-N 2.8Å; E193-G223 CarbonylContact O-C 3.47Å; E193-G223 WeakPolarHBondContact O-CA 3.5Å; E193-T224 PolarHBondContact O-N 2.76Å
194S94.4Very high94Very high21 Ų2179.4 Ų79.415%0.14741%0.408CS..BIsolated β-bridgetrans-75.4136179-78.90000113.7D191 T224D191-S194 VanDerWaalsContact CG-CB 3.43Å; D191-S194 WeakPolarHBondContact OD1-CB 3.31Å; D191-S194 PolarHBondContact OD1-N 3.35Å; D191-S194 PolarHBondContact OD1-OG 2.92Å; D191-S194 VanDerWaalsContact OD2-CB 3.25Å; D191-S194 WeakPolarHBondContact OD2-CB 3.27Å; D191-S194 PolarHBondContact OD2-OG 3.32Å; S194-T224 CarbonylContact C-O 3.51Å; S194-T224 WeakPolarHBondContact CA-O 3.37Å
195L94.1Very high93.9Very high7 Ų774.7 Ų74.74%0.03738%0.383CS..PPolyproline II helixtrans-75.5131.8170.8-65.5174.3000111.2F185 L197 I203 L218 K221 T224 F225F185-L195 WeakPolarHBondContact CD1-O 3.13Å; L195-L197 HydrophobicContact CB-CD2 3.78Å; L195-L197 PolarHBondContact O-N 2.85Å; L195-I203 HydrophobicContact CD1-CG2 4.28Å; L195-L218 HydrophobicContact CD1-CB 4.09Å; L195-L218 HydrophobicContact CD2-CB 4.44Å; L195-K221 HydrophobicContact CD2-CB 4.09Å; L195-T224 PolarHBondContact N-O 3.18Å; L195-F225 HydrophobicContact CD1-CD1 4.07Å
196K95.1Very high93.9Very high112 Ų11273.9 Ų73.949%0.48738%0.38SS..PPolyproline II helixtrans-69.8125161.3-177.7-172.7174.7-168.30108.7F185 P187 L218F185-K196 WeakPolarHBondContact O-CA 3.49Å; P187-K196 HydrophobicContact CG-CB 4.43Å; K196-L218 WeakPolarHBondContact O-CD2 3.13Å
197L95.8Very high93.8Very high1 Ų173 Ų731%0.00537%0.373CS..BIsolated β-bridgetrans-113.4137-178-47.2-176.7000110.6V181 D184 F185 L195 I203 L218 F225 Y229V181-L197 HydrophobicContact CG1-CB 3.81Å; V181-L197 HydrophobicContact CG1-CD1 4.46Å; V181-L197 HydrophobicContact CG2-CB 4.04Å; V181-L197 HydrophobicContact CG2-CD1 4.4Å; V181-L197 HydrophobicContact CG2-CD2 4.32Å; V181-L197 HydrophobicContact CG2-CG 4.5Å; D184-L197 WeakPolarHBondContact CA-O 3.49Å; F185-L197 HydrophobicContact CB-CB 4.08Å; F185-L197 HydrophobicContact CB-CD1 4.09Å; F185-L197 HydrophobicContact CB-CG 4.08Å; F185-L197 HydrophobicContact CD1-CG 4.43Å; F185-L197 PolarHBondContact N-O 3.34Å; F185-L197 PolarHBondContact O-N 2.81Å; L195-L197 HydrophobicContact CB-CD2 3.78Å; L195-L197 PolarHBondContact O-N 2.85Å; L197-I203 HydrophobicContact CD2-CD1 3.61Å; L197-L218 HydrophobicContact CD2-CD2 3.93Å; L197-F225 HydrophobicContact CD1-CB 4.1Å; L197-F225 HydrophobicContact CD2-CB 4.16Å; L197-Y229 HydrophobicContact CD1-CD2 4.09Å; L197-Y229 HydrophobicContact CD1-CG 4.44Å
198Q96.5Very high93.8Very high99 Ų9975.9 Ų75.946%0.46338%0.383SS..  trans-119.1141.5167.6-51.8-163.6-112.100110.6V181 D184 G200 D201V181-Q198 VanDerWaalsContact CB-O 3.27Å; V181-Q198 WeakPolarHBondContact CB-O 3.48Å; V181-Q198 VanDerWaalsContact CG1-O 3.31Å; V181-Q198 WeakPolarHBondContact CG1-O 3.49Å; D184-Q198 WeakPolarHBondContact OD1-CA 3.33Å; Q198-G200 PolarHBondContact O-N 3.12Å; Q198-G200 VanDerWaalsContact O-N 3.17Å; Q198-D201 WeakPolarHBondContact CA-OD2 3.44Å; Q198-D201 WeakPolarHBondContact CB-OD2 3.27Å; Q198-D201 PolarHBondContact N-OD2 2.98Å; Q198-D201 WeakPolarHBondContact O-CB 3.43Å; Q198-D201 PolarHBondContact O-N 2.96Å
199K96.9Very high93.8Very high150 Ų15075.6 Ų75.665%0.65238%0.375SS*.THydrogen-bonded Turntrans-59119.1-179.8179.5178-179.5-177.90110.8H182 D184H182-K199 WeakPolarHBondContact O-CD 3.45Å; H182-K199 WeakPolarHBondContact O-CG 3.26Å; D184-K199 PolarHBondContact OD1-N 3.16Å
200G94.8Very high93.5Very high43 Ų4375.9 Ų75.944%0.44338%0.377SS..THydrogen-bonded Turntrans109.3-20.9-173.800000114V181 Q198V181-G200 PolarHBondContact O-N 3.39Å; Q198-G200 PolarHBondContact O-N 3.12Å; Q198-G200 VanDerWaalsContact O-N 3.17Å
201D95.8Very high93.2Very high35 Ų3571.3 Ų71.319%0.18737%0.371CS..  trans-57.9146.3177.1-72.9-13.5000111.8R180 V181 Q198 L218R180-D201 CarbonylContact C-O 3.52Å; R180-D201 WeakPolarHBondContact CA-O 3.42Å; V181-D201 HydrophobicContact CB-CB 4.2Å; V181-D201 HydrophobicContact CG2-CB 3.81Å; V181-D201 PolarHBondContact N-O 2.98Å; Q198-D201 WeakPolarHBondContact CA-OD2 3.44Å; Q198-D201 WeakPolarHBondContact CB-OD2 3.27Å; Q198-D201 PolarHBondContact N-OD2 2.98Å; Q198-D201 WeakPolarHBondContact O-CB 3.43Å; Q198-D201 PolarHBondContact O-N 2.96Å; D201-L218 HydrophobicContact CB-CD1 3.86Å; D201-L218 HydrophobicContact CB-CD2 4.21Å
202I95.6Very high93.3Very high92 Ų9270 Ų7047%0.47237%0.372SS..EExtended strand (participates in β ladder)trans-110.6114.4175.4-58177.8000109R178 A179 L233R178-I202 HydrophobicContact CB-CG2 4.13Å; R178-I202 HydrophobicContact CG-CG2 4.48Å; A179-I202 CarbonylContact O-C 3.45Å; A179-I202 WeakPolarHBondContact O-CA 3.38Å; I202-L233 HydrophobicContact CD1-CD1 4.3Å; I202-L233 HydrophobicContact CG1-CD1 4.35Å; I202-L233 HydrophobicContact CG2-CD1 4.27Å
203I95.4Very high93.6Very high0 Ų066.9 Ų66.90%036%0.359CS..EExtended strand (participates in β ladder)trans-93.2133176.4-46.3-179000108.9R178 A179 V181 L195 L197 K217 L218 F225 V230R178-I203 VanDerWaalsContact CA-O 3.31Å; R178-I203 WeakPolarHBondContact CA-O 3.31Å; A179-I203 PolarHBondContact N-O 3.15Å; A179-I203 PolarHBondContact O-N 3.07Å; V181-I203 HydrophobicContact CG2-CD1 3.86Å; V181-I203 HydrophobicContact CG2-CG1 3.96Å; L195-I203 HydrophobicContact CD1-CG2 4.28Å; L197-I203 HydrophobicContact CD2-CD1 3.61Å; I203-K217 WeakPolarHBondContact CG2-O 3.38Å; I203-L218 HydrophobicContact CG1-CB 4.41Å; I203-L218 HydrophobicContact CG1-CD2 4.29Å; I203-L218 HydrophobicContact CG2-CB 4.48Å; I203-F225 HydrophobicContact CD1-CD1 4.04Å; I203-F225 HydrophobicContact CD1-CD2 3.91Å; I203-F225 HydrophobicContact CD1-CE1 4.17Å; I203-F225 HydrophobicContact CD1-CE2 4.06Å; I203-F225 HydrophobicContact CD1-CG 3.9Å; I203-F225 HydrophobicContact CD1-CZ 4.17Å; I203-F225 HydrophobicContact CG2-CD1 4.31Å; I203-F225 HydrophobicContact CG2-CE1 3.83Å; I203-F225 HydrophobicContact CG2-CZ 4.25Å; I203-V230 HydrophobicContact CD1-CG1 3.94Å
204Q94.7Very high93.8Very high78 Ų7861.8 Ų61.836%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-82.7113.9164.1-62.8179.1-36.900108.5F175 G216 K217F175-Q204 HydrophobicContact CD1-CB 3.53Å; F175-Q204 HydrophobicContact CE1-CB 3.71Å; F175-Q204 HydrophobicContact CG-CB 4Å; F175-Q204 HydrophobicContact CZ-CB 4.33Å; Q204-G216 CarbonylContact O-C 3.59Å; Q204-G216 WeakPolarHBondContact O-CA 3.31Å; Q204-K217 HydrophobicContact CB-CB 4.37Å; Q204-K217 PolarHBondContact N-O 3.18Å; Q204-K217 PolarHBondContact O-N 2.79Å
205I94.4Very high93.8Very high0 Ų062.4 Ų62.40%034%0.337CS..EExtended strand (participates in β ladder)trans-78.8131.4-176.3-42.3169.1000108.9F175 C176 G177 A179 K208 W214 F225F175-I205 CarbonylContact C-O 3.41Å; F175-I205 VanDerWaalsContact CA-O 3.31Å; F175-I205 WeakPolarHBondContact CA-O 3.45Å; F175-I205 WeakPolarHBondContact CB-O 3.32Å; C176-I205 PolarHBondContact N-O 2.88Å; C176-I205 PolarHBondContact SG-O 2.83Å; C176-I205 VanDerWaalsContact SG-O 3.39Å; G177-I205 WeakPolarHBondContact O-CG1 3.45Å; G177-I205 PolarHBondContact O-N 2.79Å; A179-I205 HydrophobicContact CB-CD1 3.97Å; A179-I205 HydrophobicContact CB-CG1 4.24Å; I205-K208 HydrophobicContact CG2-CG 3.72Å; I205-W214 HydrophobicContact CD1-CE3 4.3Å; I205-W214 HydrophobicContact CD1-CZ3 4.16Å; I205-W214 HydrophobicContact CG2-CE3 4.29Å; I205-F225 HydrophobicContact CG1-CZ 4.5Å; I205-F225 HydrophobicContact CG2-CZ 4.42Å
206I94.2Very high93.9Very high25 Ų2562 Ų6213%0.12834%0.335CS..EExtended strand (participates in β ladder)trans-99-51.8177.5-67.3168.7000109.5Y171 F175 C176 T215 K217 V222Y171-I206 HydrophobicContact CD1-CD1 3.59Å; Y171-I206 HydrophobicContact CD1-CG1 3.89Å; Y171-I206 HydrophobicContact CD2-CD1 4.08Å; Y171-I206 HydrophobicContact CE1-CB 4.41Å; Y171-I206 HydrophobicContact CE1-CD1 3.82Å; Y171-I206 HydrophobicContact CE1-CG1 3.64Å; Y171-I206 HydrophobicContact CE1-CG2 4.01Å; Y171-I206 HydrophobicContact CE2-CD1 4.28Å; Y171-I206 HydrophobicContact CE2-CG2 3.88Å; Y171-I206 HydrophobicContact CG-CD1 3.73Å; Y171-I206 HydrophobicContact CG-CG1 4.47Å; Y171-I206 VanDerWaalsContact CZ-CG2 3.5Å; Y171-I206 WeakPolarHBondContact OH-CG2 3.15Å; F175-I206 HydrophobicContact CD1-CG1 3.7Å; F175-I206 HydrophobicContact CE1-CD1 4.15Å; F175-I206 HydrophobicContact CE1-CG1 3.66Å; C176-I206 PolarHBondContact SG-O 2.78Å; I206-T215 WeakPolarHBondContact CA-O 2.97Å; I206-T215 HydrophobicContact CB-CG2 4.38Å; I206-T215 WeakPolarHBondContact CB-O 3.25Å; I206-T215 PolarHBondContact N-O 2.87Å; I206-K217 HydrophobicContact CD1-CB 4.34Å; I206-V222 HydrophobicContact CD1-CG1 3.72Å; I206-V222 HydrophobicContact CD1-CG2 4.33Å
207E92.9Very high93.9Very high111 Ų11158.3 Ų58.352%0.51932%0.319SS..EExtended strand (participates in β ladder)trans-135.3137.3-176.2-173.1162.8-146.100110.9W214 T215E207-W214 WeakPolarHBondContact O-CA 3.29Å; E207-W214 WeakPolarHBondContact O-CB 3.34Å; E207-T215 PolarHBondContact N-O 2.67Å; E207-T215 VanDerWaalsContact N-O 3.08Å; E207-T215 PolarHBondContact O-N 2.95Å; E207-T215 VanDerWaalsContact O-N 3.07Å
208K93.3Very high93.8Very high88 Ų8858.8 Ų58.838%0.38332%0.321SS..  trans-117.487.5-178.6-66.8174.3-168.1172.30109.6C176 I205 W214C176-K208 WeakPolarHBondContact O-CE 3.23Å; C176-K208 PolarHBondContact O-NZ 2.98Å; C176-K208 VanDerWaalsContact SG-CE 3.53Å; I205-K208 HydrophobicContact CG2-CG 3.72Å; K208-W214 HydrophobicContact CB-CD2 4.44Å; K208-W214 HydrophobicContact CG-CD2 4.17Å; K208-W214 HydrophobicContact CG-CE3 4.39Å; K208-W214 HydrophobicContact CG-CZ2 4.47Å
209D92.3Very high93.5Very high70 Ų7059.7 Ų59.737%0.37433%0.329SS..  trans-60.5143167.3-78.1-31.5000110.5V211 T213 W214D209-V211 PolarHBondContact O-N 2.83Å; D209-V211 VanDerWaalsContact O-N 3.16Å; D209-T213 WeakPolarHBondContact CB-O 3.48Å; D209-W214 PolarHBondContact O-NE1 2.75Å
210P85.4Confident93.1Very high128 Ų12859.2 Ų59.283%0.83133%0.334SS*.SBendtrans-66.1-18.4-178.326.9-35.1000113.1
211V86.6Confident93Very high119 Ų11961.4 Ų61.472%0.72133%0.331SS*.SBendtrans-147.6139-179.8-174.30000109.9D209D209-V211 PolarHBondContact O-N 2.83Å; D209-V211 VanDerWaalsContact O-N 3.16Å
212G91.6Very high92.9Very high33 Ų3362 Ų6234%0.3434%0.336SS..SBendtrans99.3-101.2166.800000114.8F227G212-F227 WeakPolarHBondContact O-CD1 3.25Å
213T94.2Very high92.8Very high58 Ų5857.9 Ų57.936%0.35632%0.317SS..EExtended strand (participates in β ladder)trans-116.1140.3-171.940.10000110.8D209 F225 K226D209-T213 WeakPolarHBondContact CB-O 3.48Å; T213-F225 CarbonylContact C-O 3.5Å; T213-F225 WeakPolarHBondContact CA-O 3.49Å; T213-K226 HydrophobicContact CG2-CG 3.93Å
214W96.2Very high92.8Very high27 Ų2759.5 Ų59.510%0.10233%0.327CS..EExtended strand (participates in β ladder)trans-109.6153.8172.3-69.8-5.9000109.8I205 E207 K208 D209 T224 F225 F227 V230 I232I205-W214 HydrophobicContact CD1-CE3 4.3Å; I205-W214 HydrophobicContact CD1-CZ3 4.16Å; I205-W214 HydrophobicContact CG2-CE3 4.29Å; E207-W214 WeakPolarHBondContact O-CA 3.29Å; E207-W214 WeakPolarHBondContact O-CB 3.34Å; K208-W214 HydrophobicContact CB-CD2 4.44Å; K208-W214 HydrophobicContact CG-CD2 4.17Å; K208-W214 HydrophobicContact CG-CE3 4.39Å; K208-W214 HydrophobicContact CG-CZ2 4.47Å; D209-W214 PolarHBondContact O-NE1 2.75Å; W214-T224 CarbonylContact O-C 3.59Å; W214-T224 VanDerWaalsContact O-CA 3.25Å; W214-T224 WeakPolarHBondContact O-CA 3.39Å; W214-F225 HydrophobicContact CB-CD1 4.46Å; W214-F225 HydrophobicContact CB-CE1 3.87Å; W214-F225 HydrophobicContact CB-CE2 3.99Å; W214-F225 HydrophobicContact CB-CZ 3.62Å; W214-F225 AromaticContact CE3-CE2 3.92Å; W214-F225 HydrophobicContact CE3-CE2 3.92Å; W214-F225 AromaticContact CE3-CZ 3.93Å; W214-F225 HydrophobicContact CE3-CZ 3.93Å; W214-F225 HydrophobicContact CG-CZ 4.49Å; W214-F225 PolarHBondContact N-O 3.1Å; W214-F225 VanDerWaalsContact O-CD1 3.29Å; W214-F225 WeakPolarHBondContact O-CD1 3.36Å; W214-F225 PolarHBondContact O-N 3.05Å; W214-F227 HydrophobicContact CD2-CB 3.59Å; W214-F227 VanDerWaalsContact CE2-CB 3.48Å; W214-F227 HydrophobicContact CE3-CB 3.83Å; W214-F227 HydrophobicContact CG-CB 4.17Å; W214-F227 HydrophobicContact CH2-CB 3.84Å; W214-F227 HydrophobicContact CZ2-CB 3.63Å; W214-F227 HydrophobicContact CZ2-CG 4.17Å; W214-F227 HydrophobicContact CZ3-CB 3.95Å; W214-V230 HydrophobicContact CZ3-CG2 4.3Å; W214-I232 HydrophobicContact CH2-CD1 3.92Å; W214-I232 HydrophobicContact CH2-CG1 4.07Å; W214-I232 HydrophobicContact CZ3-CD1 4.43Å; W214-I232 HydrophobicContact CZ3-CG1 4.14Å
215T95.3Very high92.9Very high34 Ų3455.9 Ų55.921%0.20931%0.31CS..EExtended strand (participates in β ladder)trans-99.6136.7174.3-53.80000108.9I206 E207 V222 G223I206-T215 WeakPolarHBondContact CA-O 2.97Å; I206-T215 HydrophobicContact CB-CG2 4.38Å; I206-T215 WeakPolarHBondContact CB-O 3.25Å; I206-T215 PolarHBondContact N-O 2.87Å; E207-T215 PolarHBondContact N-O 2.67Å; E207-T215 VanDerWaalsContact N-O 3.08Å; E207-T215 PolarHBondContact O-N 2.95Å; E207-T215 VanDerWaalsContact O-N 3.07Å; T215-V222 HydrophobicContact CG2-CG1 4.39Å; T215-G223 WeakPolarHBondContact CA-O 3.49Å
216G95.2Very high92.9Very high0 Ų060.3 Ų60.30%033%0.329CS..EExtended strand (participates in β ladder)trans-156.7-177.8179.400000113.5Q204 V222 G223Q204-G216 CarbonylContact O-C 3.59Å; Q204-G216 WeakPolarHBondContact O-CA 3.31Å; G216-V222 WeakPolarHBondContact O-CA 3.31Å; G216-G223 PolarHBondContact N-O 3.07Å; G216-G223 PolarHBondContact O-N 3.08Å
217K94.8Very high92.9Very high34 Ų3462.9 Ų62.915%0.14834%0.339CS..EExtended strand (participates in β ladder)trans-124.4126.6179.7-173.3-179.3-176.9179.10109.8Y171 F175 I203 Q204 I206 K221 V222Y171-K217 PolarHBondContact O-NZ 3.03Å; Y171-K217 VanDerWaalsContact O-NZ 3.14Å; F175-K217 HydrophobicContact CE1-CB 3.99Å; F175-K217 HydrophobicContact CE1-CD 4.02Å; F175-K217 HydrophobicContact CZ-CD 3.73Å; I203-K217 WeakPolarHBondContact CG2-O 3.38Å; Q204-K217 HydrophobicContact CB-CB 4.37Å; Q204-K217 PolarHBondContact N-O 3.18Å; Q204-K217 PolarHBondContact O-N 2.79Å; I206-K217 HydrophobicContact CD1-CB 4.34Å; K217-K221 CarbonylContact C-O 3.33Å; K217-K221 VanDerWaalsContact CA-O 3.26Å; K217-K221 WeakPolarHBondContact CA-O 3.33Å; K217-V222 HydrophobicContact CB-CG2 4.13Å; K217-V222 HydrophobicContact CD-CG2 4.33Å; K217-V222 HydrophobicContact CG-CG2 3.96Å
218L93.9Very high93Very high11 Ų1162 Ų626%0.05834%0.337CS..EExtended strand (participates in β ladder)trans-143.1133.7178.3176.362000108.6L195 K196 L197 D201 I203 N220 K221L195-L218 HydrophobicContact CD1-CB 4.09Å; L195-L218 HydrophobicContact CD2-CB 4.44Å; K196-L218 WeakPolarHBondContact O-CD2 3.13Å; L197-L218 HydrophobicContact CD2-CD2 3.93Å; D201-L218 HydrophobicContact CB-CD1 3.86Å; D201-L218 HydrophobicContact CB-CD2 4.21Å; I203-L218 HydrophobicContact CG1-CB 4.41Å; I203-L218 HydrophobicContact CG1-CD2 4.29Å; I203-L218 HydrophobicContact CG2-CB 4.48Å; L218-N220 PolarHBondContact O-N 3.09Å; L218-K221 PolarHBondContact N-O 2.81Å; L218-K221 PolarHBondContact O-N 2.83Å; L218-K221 VanDerWaalsContact O-O 3.1Å
219N90.4Very high93.2Very high118 Ų11860 Ų6063%0.63133%0.328SS*.THydrogen-bonded Turntrans49.544.7-179.9-59.7-30.4000112.9K221N219-K221 PolarHBondContact O-N 2.7Å
220N88.9Confident93.3Very high139 Ų13957.2 Ų57.274%0.74331%0.313SS*.THydrogen-bonded Turntrans61.3-10.6-174-67.655.4000116.7L218L218-N220 PolarHBondContact O-N 3.09Å
221K91.3Very high93.8Very high89 Ų8955.4 Ų55.439%0.38730%0.296SS..EExtended strand (participates in β ladder)trans-77.1144.2169.6-63.7-16566171.70110.7E166 L195 K217 L218 N219E166-K221 WeakPolarHBondContact OE1-CE 3.5Å; E166-K221 IonicContact OE1-NZ 2.63Å; E166-K221 PolarHBondContact OE1-NZ 3.39Å; E166-K221 WeakPolarHBondContact OE2-CE 3.4Å; E166-K221 IonicContact OE2-NZ 2.67Å; E166-K221 PolarHBondContact OE2-NZ 3.17Å; L195-K221 HydrophobicContact CD2-CB 4.09Å; K217-K221 CarbonylContact C-O 3.33Å; K217-K221 VanDerWaalsContact CA-O 3.26Å; K217-K221 WeakPolarHBondContact CA-O 3.33Å; L218-K221 PolarHBondContact N-O 2.81Å; L218-K221 PolarHBondContact O-N 2.83Å; L218-K221 VanDerWaalsContact O-O 3.1Å; N219-K221 PolarHBondContact O-N 2.7Å
222V93.8Very high94.1Very high47 Ų4754.7 Ų54.729%0.28529%0.287SS..EExtended strand (participates in β ladder)trans-111.2135.3173.1175.20000107.7I206 T215 G216 K217I206-V222 HydrophobicContact CD1-CG1 3.72Å; I206-V222 HydrophobicContact CD1-CG2 4.33Å; T215-V222 HydrophobicContact CG2-CG1 4.39Å; G216-V222 WeakPolarHBondContact O-CA 3.31Å; K217-V222 HydrophobicContact CB-CG2 4.13Å; K217-V222 HydrophobicContact CD-CG2 4.33Å; K217-V222 HydrophobicContact CG-CG2 3.96Å
223G94.1Very high94.1Very high7 Ų755 Ų557%0.07228%0.281CS..EExtended strand (participates in β ladder)trans-176.6-178.5-175.900000113.3E193 T215 G216E193-G223 CarbonylContact O-C 3.47Å; E193-G223 WeakPolarHBondContact O-CA 3.5Å; T215-G223 WeakPolarHBondContact CA-O 3.49Å; G216-G223 PolarHBondContact N-O 3.07Å; G216-G223 PolarHBondContact O-N 3.08Å
224T95.6Very high93.4Very high34 Ų3456.9 Ų56.921%0.20929%0.294CS..EExtended strand (participates in β ladder)trans-92.3153.3-179.671.20000111.8E193 S194 L195 W214E193-T224 PolarHBondContact O-N 2.76Å; S194-T224 CarbonylContact C-O 3.51Å; S194-T224 WeakPolarHBondContact CA-O 3.37Å; L195-T224 PolarHBondContact N-O 3.18Å; W214-T224 CarbonylContact O-C 3.59Å; W214-T224 VanDerWaalsContact O-CA 3.25Å; W214-T224 WeakPolarHBondContact O-CA 3.39Å
225F95.8Very high92.1Very high2 Ų260.2 Ų60.21%0.00931%0.314CS..EExtended strand (participates in β ladder)trans-153.5152.5173.865.6-83.9000109.6L195 L197 I203 I205 T213 W214 V230L195-F225 HydrophobicContact CD1-CD1 4.07Å; L197-F225 HydrophobicContact CD1-CB 4.1Å; L197-F225 HydrophobicContact CD2-CB 4.16Å; I203-F225 HydrophobicContact CD1-CD1 4.04Å; I203-F225 HydrophobicContact CD1-CD2 3.91Å; I203-F225 HydrophobicContact CD1-CE1 4.17Å; I203-F225 HydrophobicContact CD1-CE2 4.06Å; I203-F225 HydrophobicContact CD1-CG 3.9Å; I203-F225 HydrophobicContact CD1-CZ 4.17Å; I203-F225 HydrophobicContact CG2-CD1 4.31Å; I203-F225 HydrophobicContact CG2-CE1 3.83Å; I203-F225 HydrophobicContact CG2-CZ 4.25Å; I205-F225 HydrophobicContact CG1-CZ 4.5Å; I205-F225 HydrophobicContact CG2-CZ 4.42Å; T213-F225 CarbonylContact C-O 3.5Å; T213-F225 WeakPolarHBondContact CA-O 3.49Å; W214-F225 HydrophobicContact CB-CD1 4.46Å; W214-F225 HydrophobicContact CB-CE1 3.87Å; W214-F225 HydrophobicContact CB-CE2 3.99Å; W214-F225 HydrophobicContact CB-CZ 3.62Å; W214-F225 AromaticContact CE3-CE2 3.92Å; W214-F225 HydrophobicContact CE3-CE2 3.92Å; W214-F225 AromaticContact CE3-CZ 3.93Å; W214-F225 HydrophobicContact CE3-CZ 3.93Å; W214-F225 HydrophobicContact CG-CZ 4.49Å; W214-F225 PolarHBondContact N-O 3.1Å; W214-F225 VanDerWaalsContact O-CD1 3.29Å; W214-F225 WeakPolarHBondContact O-CD1 3.36Å; W214-F225 PolarHBondContact O-N 3.05Å; F225-V230 HydrophobicContact CD2-CG1 3.87Å; F225-V230 HydrophobicContact CD2-CG2 4.41Å; F225-V230 HydrophobicContact CE2-CB 4.47Å; F225-V230 HydrophobicContact CE2-CG1 3.87Å; F225-V230 HydrophobicContact CE2-CG2 3.72Å
226K95.4Very high90.2Very high93 Ų9364.9 Ų64.940%0.40433%0.333SS..EExtended strand (participates in β ladder)trans-81.4132.3176.8-57.1178.9-177169.70110.2T213 I228 Y229T213-K226 HydrophobicContact CG2-CG 3.93Å; K226-I228 HydrophobicContact CB-CD1 4.39Å; K226-I228 HydrophobicContact CB-CG1 3.79Å; K226-I228 HydrophobicContact CD-CD1 4.3Å; K226-I228 PolarHBondContact O-N 2.87Å; K226-I228 VanDerWaalsContact O-N 3.09Å; K226-Y229 HydrophobicContact CB-CD2 3.89Å; K226-Y229 HydrophobicContact CB-CE2 3.79Å; K226-Y229 HydrophobicContact CD-CE2 3.9Å; K226-Y229 HydrophobicContact CG-CE2 4.08Å; K226-Y229 PolarHBondContact O-N 2.83Å; K226-Y229 VanDerWaalsContact O-N 3.15Å
227F94.2Very high88Confident79 Ų7970.7 Ų70.735%0.34637%0.368SS..G310 helixtrans-59.8-25.1-179.376.4-91.9000112.9G212 W214 Y229 V230G212-F227 WeakPolarHBondContact O-CD1 3.25Å; W214-F227 HydrophobicContact CD2-CB 3.59Å; W214-F227 VanDerWaalsContact CE2-CB 3.48Å; W214-F227 HydrophobicContact CE3-CB 3.83Å; W214-F227 HydrophobicContact CG-CB 4.17Å; W214-F227 HydrophobicContact CH2-CB 3.84Å; W214-F227 HydrophobicContact CZ2-CB 3.63Å; W214-F227 HydrophobicContact CZ2-CG 4.17Å; W214-F227 HydrophobicContact CZ3-CB 3.95Å; F227-Y229 PolarHBondContact O-N 3.37Å; F227-Y229 VanDerWaalsContact O-N 3.07Å; F227-V230 PolarHBondContact O-N 3.4Å; F227-V230 VanDerWaalsContact O-N 3.16Å
228I95.5Very high85.5Confident93 Ų9374.8 Ų74.848%0.47740%0.397SS..G310 helixtrans-64.4-6.2177.568.4173000115.2H182 K226H182-I228 PolarHBondContact CE1-O 3.41Å; H182-I228 PolarHBondContact NE2-O 2.9Å; K226-I228 HydrophobicContact CB-CD1 4.39Å; K226-I228 HydrophobicContact CB-CG1 3.79Å; K226-I228 HydrophobicContact CD-CD1 4.3Å; K226-I228 PolarHBondContact O-N 2.87Å; K226-I228 VanDerWaalsContact O-N 3.09Å
229Y96.2Very high83.3Confident46 Ų4680 Ų8018%0.1843%0.431CS..G310 helixtrans-104.3-2.2177.8-56.4-43.1000113.1H182 T183 F185 L197 K226 F227H182-Y229 PolarHBondContact N-O 3.42Å; H182-Y229 VanDerWaalsContact NE2-C 3.34Å; T183-Y229 HydrophobicContact CG2-CD1 3.85Å; T183-Y229 HydrophobicContact CG2-CE1 4.31Å; T183-Y229 PolarHBondContact N-O 3.44Å; F185-Y229 HydrophobicContact CB-CD2 4.14Å; F185-Y229 HydrophobicContact CB-CE2 4.21Å; F185-Y229 AromaticContact CD2-CE2 3.85Å; F185-Y229 HydrophobicContact CD2-CE2 3.85Å; F185-Y229 HydrophobicContact CE2-CE2 4.42Å; F185-Y229 HydrophobicContact CG-CD2 4.29Å; F185-Y229 AromaticContact CG-CE2 3.96Å; F185-Y229 HydrophobicContact CG-CE2 3.96Å; L197-Y229 HydrophobicContact CD1-CD2 4.09Å; L197-Y229 HydrophobicContact CD1-CG 4.44Å; K226-Y229 HydrophobicContact CB-CD2 3.89Å; K226-Y229 HydrophobicContact CB-CE2 3.79Å; K226-Y229 HydrophobicContact CD-CE2 3.9Å; K226-Y229 HydrophobicContact CG-CE2 4.08Å; K226-Y229 PolarHBondContact O-N 2.83Å; K226-Y229 VanDerWaalsContact O-N 3.15Å; F227-Y229 PolarHBondContact O-N 3.37Å; F227-Y229 VanDerWaalsContact O-N 3.07Å
230V95.5Very high81Confident10 Ų1079.2 Ų79.26%0.06143%0.433CS..EExtended strand (participates in β ladder)trans-133.3147.5-172.8-45.60000112.6A179 R180 V181 H182 I203 W214 F225 F227A179-V230 HydrophobicContact CB-CB 3.8Å; A179-V230 HydrophobicContact CB-CG2 3.51Å; R180-V230 CarbonylContact O-C 3.57Å; R180-V230 WeakPolarHBondContact O-CA 3.48Å; V181-V230 HydrophobicContact CG2-CG1 4.04Å; H182-V230 VanDerWaalsContact CD2-C 3.44Å; H182-V230 PolarHBondContact NE2-N 2.92Å; I203-V230 HydrophobicContact CD1-CG1 3.94Å; W214-V230 HydrophobicContact CZ3-CG2 4.3Å; F225-V230 HydrophobicContact CD2-CG1 3.87Å; F225-V230 HydrophobicContact CD2-CG2 4.41Å; F225-V230 HydrophobicContact CE2-CB 4.47Å; F225-V230 HydrophobicContact CE2-CG1 3.87Å; F225-V230 HydrophobicContact CE2-CG2 3.72Å; F227-V230 PolarHBondContact O-N 3.4Å; F227-V230 VanDerWaalsContact O-N 3.16Å
231N95.1Very high79Confident91 Ų9180 Ų8049%0.48743%0.434SS..EExtended strand (participates in β ladder)trans-102.7127.9167.6-73.4-42.7000108.8A179 R180 H182 L233A179-N231 CarbonylContact C-O 3.6Å; A179-N231 VanDerWaalsContact CA-O 3.27Å; A179-N231 WeakPolarHBondContact CA-O 3.43Å; A179-N231 WeakPolarHBondContact CB-O 3.49Å; R180-N231 PolarHBondContact N-O 3.39Å; R180-N231 PolarHBondContact O-N 3.09Å; H182-N231 PolarHBondContact CD2-ND2 2.77Å; N231-L233 PolarHBondContact O-N 3.03Å
232I93.8Very high76.9Confident104 Ų10484.5 Ų84.553%0.53345%0.448SS..EExtended strand (participates in β ladder)trans-60.4128.7173.9-52.8176.6000108.4W214W214-I232 HydrophobicContact CH2-CD1 3.92Å; W214-I232 HydrophobicContact CH2-CG1 4.07Å; W214-I232 HydrophobicContact CZ3-CD1 4.43Å; W214-I232 HydrophobicContact CZ3-CG1 4.14Å
233L91.2Very high75.1Confident40 Ų4090.3 Ų90.321%0.20947%0.469CS..EExtended strand (participates in β ladder)trans-91.1147171-68.6178.5000109.5R178 R180 I202 N231R178-L233 PolarHBondContact O-N 3.16Å; R180-L233 HydrophobicContact CB-CD1 3.98Å; R180-L233 HydrophobicContact CB-CD2 3.95Å; R180-L233 HydrophobicContact CB-CG 3.91Å; I202-L233 HydrophobicContact CD1-CD1 4.3Å; I202-L233 HydrophobicContact CG1-CD1 4.35Å; I202-L233 HydrophobicContact CG2-CD1 4.27Å; N231-L233 PolarHBondContact O-N 3.03Å
234P79.5Confident72.7Confident96 Ų9697.3 Ų97.362%0.62350%0.502SS*.PPolyproline II helixtrans-61.1140.9161.128.1-32.8000109.9R178 E236R178-P234 PolarHBondContact NH2-O 2.69Å; P234-E236 VanDerWaalsContact C-N 3.28Å; P234-E236 PolarHBondContact O-N 3.44Å
235D68.6Low70.4Confident97 Ų97100.5 Ų100.552%0.51953%0.525SS..  trans-79.274.1-177.9-73.6-37.9000111.9G177 R178 V237G177-D235 VanDerWaalsContact CA-OD1 3.31Å; G177-D235 WeakPolarHBondContact CA-OD1 3.13Å; G177-D235 WeakPolarHBondContact CA-OD2 3.23Å; R178-D235 PolarHBondContact N-OD1 3.26Å; R178-D235 IonicContact NE-OD1 2.63Å; D235-V237 PolarHBondContact O-N 3.26Å
236E55.1Low68.1Low132 Ų132106 Ų10662%0.61756%0.563SS**  trans-57.4115.3160-68.4-60.7147.500110.7R178 P234R178-E236 PolarHBondContact NH1-O 3.03Å; R178-E236 PolarHBondContact NH2-O 2.66Å; P234-E236 VanDerWaalsContact C-N 3.28Å; P234-E236 PolarHBondContact O-N 3.44Å
237V49.9Very low65.8Low122 Ų122107 Ų10774%0.73958%0.582SS**SBendtrans54.892.9171.4-660000118.5D235D235-V237 PolarHBondContact O-N 3.26Å
238T42.5Very low63.6Low121 Ų121108.1 Ų108.174%0.74259%0.587SS**  164129.9123.8-640000108.4
239P46.9Very low61.3Low121 Ų121107.7 Ų107.779%0.78659%0.586SS**  trans-70.8136.6-17028.7-35.7000113.1
240P41.5Very low59.1Low101 Ų101115.7 Ų115.766%0.65662%0.615SS**  -134.2178.6102.926.5-8.8000114.7
241M46.7Very low56.7Low155 Ų155121.8 Ų121.876%0.76464%0.641SS**  trans-81.3137.1-157.6-73170.167.500117
242R48.2Very low54.6Low184 Ų184119.7 Ų119.769%0.69463%0.634SS**  trans68.7140.7138.4-68.7-176.997.9140.56.7117.2
243K55.9Low52.7Low168 Ų168117.3 Ų117.373%0.7362%0.619SS**  cis-146.8145.79.3-55.5176-173.3176.40110.3
244M43.8Very low51Low154 Ų154119 Ų11976%0.75964%0.639SS**  trans-158.9152.9150.9-157.755.6165.100108.1K248M244-K248 WeakPolarHBondContact O-CD 3.34Å; M244-K248 PolarHBondContact O-NZ 3.43Å
245C47.9Very low49.8Very low101 Ų101121.4 Ų121.468%0.68264%0.64SS**  trans-104.2178-142.5-61.90000116.9S247C245-S247 PolarHBondContact O-N 3.39Å
246S46.5Very low49.5Very low117 Ų117122 Ų12282%0.81864%0.643SS**SBendtrans82.1-58.2173.9-52.70000117.3K248S246-K248 PolarHBondContact O-N 3.45Å
247S48.3Very low50.2Low114 Ų114119 Ų11980%0.79763%0.628SS**THydrogen-bonded Turntrans-79.84176.4-500000114.3C245C245-S247 PolarHBondContact O-N 3.39Å
248K47.8Very low51.4Low104 Ų104114.1 Ų114.145%0.45260%0.599SS.*Hα-helixtrans-78.8-25.5-175.9-95.6-177.1-179.558.10114.9M244 S246 R250 F251 S252M244-K248 WeakPolarHBondContact O-CD 3.34Å; M244-K248 PolarHBondContact O-NZ 3.43Å; S246-K248 PolarHBondContact O-N 3.45Å; K248-R250 PolarHBondContact O-N 3.09Å; K248-F251 PolarHBondContact O-N 3.34Å; K248-S252 WeakPolarHBondContact O-CB 3.28Å; K248-S252 PolarHBondContact O-N 3.36Å; K248-S252 PolarHBondContact O-OG 2.87Å
249N47.5Very low52.8Low84 Ų84116.5 Ų116.545%0.44960%0.602SS.*Hα-helixtrans-58-56.2-170.9-154.646.7000111F251 S252 K253 E323N249-F251 PolarHBondContact O-N 2.88Å; N249-S252 PolarHBondContact O-N 2.6Å; N249-S252 PolarHBondContact O-OG 3.09Å; N249-K253 WeakPolarHBondContact O-CB 3.12Å; N249-K253 PolarHBondContact O-N 2.82Å; N249-E323 PolarHBondContact ND2-OE1 3.28Å
250R49.8Very low54.8Low213 Ų213113.9 Ų113.980%0.80458%0.584SS**Hα-helixtrans-57-47.4-178.7-58.2-160.1-71.5-163.51.8113.1K248 K253 A254K248-R250 PolarHBondContact O-N 3.09Å; R250-K253 PolarHBondContact O-N 3.48Å; R250-A254 WeakPolarHBondContact O-CB 3.44Å; R250-A254 PolarHBondContact O-N 3.2Å; R250-A254 VanDerWaalsContact O-N 3.09Å
251F45.1Very low57.2Low139 Ų139109.4 Ų109.461%0.6155%0.554SS**Hα-helixtrans-76.7-22.8-178.8-163.1-104.6000114.3K248 N249 K255K248-F251 PolarHBondContact O-N 3.34Å; N249-F251 PolarHBondContact O-N 2.88Å; F251-K255 HydrophobicContact CE1-CD 4.19Å
252S49.4Very low59.3Low46 Ų46107.4 Ų107.432%0.32254%0.543SS..Hα-helixtrans-81.7-34.3168.856.70000112.7K248 N249 A254 K255 N256K248-S252 WeakPolarHBondContact O-CB 3.28Å; K248-S252 PolarHBondContact O-N 3.36Å; K248-S252 PolarHBondContact O-OG 2.87Å; N249-S252 PolarHBondContact O-N 2.6Å; N249-S252 PolarHBondContact O-OG 3.09Å; S252-A254 VanDerWaalsContact C-N 3.34Å; S252-K255 PolarHBondContact O-N 2.74Å; S252-K255 VanDerWaalsContact O-N 3.1Å; S252-N256 PolarHBondContact O-N 2.97Å; S252-N256 VanDerWaalsContact O-N 3.1Å; S252-N256 PolarHBondContact O-ND2 3.22Å
253K54.5Low61.3Low54 Ų54101.9 Ų101.924%0.23553%0.525CS..Hα-helixtrans-61.8-46175.3-152.7167.2-174.9-173.40109.5N249 R250 K255 N256 K257 D319 S320 E323N249-K253 WeakPolarHBondContact O-CB 3.12Å; N249-K253 PolarHBondContact O-N 2.82Å; R250-K253 PolarHBondContact O-N 3.48Å; K253-K255 PolarHBondContact O-N 3.1Å; K253-N256 PolarHBondContact O-N 3.19Å; K253-N256 VanDerWaalsContact O-N 3.09Å; K253-K257 PolarHBondContact O-N 3.23Å; K253-D319 PolarHBondContact NZ-O 2.94Å; K253-S320 WeakPolarHBondContact CE-OG 3.46Å; K253-E323 IonicContact NZ-OE2 3.03Å; K253-E323 PolarHBondContact NZ-OE2 2.89Å
254A54.7Low63.1Low76 Ų7694.1 Ų94.163%0.62849%0.492SS*.Hα-helixtrans-59.7-16172.500000116.3R250 S252R250-A254 WeakPolarHBondContact O-CB 3.44Å; R250-A254 PolarHBondContact O-N 3.2Å; R250-A254 VanDerWaalsContact O-N 3.09Å; S252-A254 VanDerWaalsContact C-N 3.34Å
255K54.9Low65.4Low146 Ų14686.9 Ų86.964%0.63546%0.456SS*.Hα-helixtrans-108.8-2.7176.6-72.1-164.9174.7-163.60114.5F251 S252 K253F251-K255 HydrophobicContact CE1-CD 4.19Å; S252-K255 PolarHBondContact O-N 2.74Å; S252-K255 VanDerWaalsContact O-N 3.1Å; K253-K255 PolarHBondContact O-N 3.1Å
256N62.4Low67.5Low111 Ų11188.6 Ų88.659%0.59445%0.454SS*.Hα-helixtrans-119.5-8.6174.1-62.9-82.6000112.2S252 K253 P258S252-N256 PolarHBondContact O-N 2.97Å; S252-N256 VanDerWaalsContact O-N 3.1Å; S252-N256 PolarHBondContact O-ND2 3.22Å; K253-N256 PolarHBondContact O-N 3.19Å; K253-N256 VanDerWaalsContact O-N 3.09Å; N256-P258 WeakPolarHBondContact O-CD 3.28Å
257K70.7Confident69.6Low67 Ų6788.7 Ų88.729%0.29144%0.437SS..SBendtrans-62.2125.1168.3-163.4167.5-172.2173.30107.5K253 Q259 L317 S320 D321K253-K257 PolarHBondContact O-N 3.23Å; K257-Q259 PolarHBondContact O-N 3.36Å; K257-L317 HydrophobicContact CG-CD2 4.5Å; K257-S320 PolarHBondContact NZ-O 2.92Å; K257-D321 IonicContact NZ-OD1 3.05Å; K257-D321 PolarHBondContact NZ-OD1 2.9Å; K257-D321 IonicContact NZ-OD2 3.88Å; K257-D321 PolarHBondContact NZ-OD2 3.47Å
258P74.1Confident71.6Confident21 Ų2185.2 Ų85.214%0.13641%0.408CS..  trans-54.6131.9171.4-2332.8000109.9N256 E263 V264 R267 L285 L317N256-P258 WeakPolarHBondContact O-CD 3.28Å; P258-E263 VanDerWaalsContact CA-OE2 3.23Å; P258-E263 WeakPolarHBondContact CA-OE2 3.29Å; P258-E263 HydrophobicContact CB-CB 4.5Å; P258-V264 HydrophobicContact CB-CB 4.41Å; P258-V264 HydrophobicContact CB-CG2 3.46Å; P258-V264 VanDerWaalsContact CB-CG2 3.46Å; P258-V264 HydrophobicContact CG-CB 4.48Å; P258-V264 HydrophobicContact CG-CG2 3.78Å; P258-R267 VanDerWaalsContact CB-NH1 3.35Å; P258-L285 HydrophobicContact CB-CD2 4.47Å; P258-L285 VanDerWaalsContact O-CD1 3.27Å; P258-L285 WeakPolarHBondContact O-CD1 3.35Å; P258-L317 HydrophobicContact CG-CD2 4.35Å
259Q73Confident73.6Confident171 Ų17183 Ų8380%0.79942%0.415SS*.SBendtrans-93.6-17.8176.6-164.5174.1-100112.4K257 E263K257-Q259 PolarHBondContact O-N 3.36Å; Q259-E263 PolarHBondContact N-OE2 3.02Å
260T88.7Confident75.7Confident65 Ų6579.5 Ų79.540%0.39940%0.397SS..SBendtrans-133.7159.2174.182.30000111E262 E263 V264T260-E262 VanDerWaalsContact C-N 3.3Å; T260-E262 WeakPolarHBondContact CB-OE2 3.38Å; T260-E262 PolarHBondContact O-N 3.5Å; T260-E262 PolarHBondContact OG1-OE2 3.32Å; T260-E263 PolarHBondContact O-N 3.04Å; T260-E263 PolarHBondContact OG1-N 3.05Å; T260-V264 PolarHBondContact O-N 2.7Å
261L91.5Very high77.7Confident7 Ų773.4 Ų73.44%0.03738%0.383CS..Hα-helixtrans-60.1-41.8177.7172.555000111.4E263 V264 L265 F282 F288L261-E263 VanDerWaalsContact C-N 3.25Å; L261-E263 PolarHBondContact O-N 3.31Å; L261-V264 WeakPolarHBondContact O-CA 3.27Å; L261-V264 VanDerWaalsContact O-CB 3.29Å; L261-V264 WeakPolarHBondContact O-CB 3.38Å; L261-V264 PolarHBondContact O-N 2.81Å; L261-L265 HydrophobicContact CD1-CD1 4.28Å; L261-L265 HydrophobicContact CD1-CG 4.19Å; L261-L265 HydrophobicContact CG-CD1 4.19Å; L261-L265 WeakPolarHBondContact O-CG 3.5Å; L261-L265 PolarHBondContact O-N 2.91Å; L261-F282 WeakPolarHBondContact CD2-O 3.15Å; L261-F288 HydrophobicContact CD1-CB 3.72Å; L261-F288 HydrophobicContact CD1-CD1 4.4Å; L261-F288 HydrophobicContact CD1-CD2 3.3Å; L261-F288 HydrophobicContact CD1-CE2 3.99Å; L261-F288 HydrophobicContact CD1-CG 3.55Å
262E90.3Very high79.8Confident114 Ų11474.8 Ų74.853%0.53339%0.391SS..Hα-helixtrans-58.8-38.4178.3-57.674.9-164.900111.4T260 V264 L265 E266T260-E262 VanDerWaalsContact C-N 3.3Å; T260-E262 WeakPolarHBondContact CB-OE2 3.38Å; T260-E262 PolarHBondContact O-N 3.5Å; T260-E262 PolarHBondContact OG1-OE2 3.32Å; E262-V264 VanDerWaalsContact C-N 3.31Å; E262-V264 PolarHBondContact O-N 3.29Å; E262-L265 PolarHBondContact O-N 3.46Å; E262-E266 WeakPolarHBondContact O-CB 3.46Å; E262-E266 PolarHBondContact O-N 2.99Å
263E91.2Very high81.7Confident67 Ų6773.3 Ų73.331%0.31338%0.38SS..Hα-helixtrans-72.8-21.8177.6-145.9-153.7169.100112.5P258 Q259 T260 L261 R267P258-E263 VanDerWaalsContact CA-OE2 3.23Å; P258-E263 WeakPolarHBondContact CA-OE2 3.29Å; P258-E263 HydrophobicContact CB-CB 4.5Å; Q259-E263 PolarHBondContact N-OE2 3.02Å; T260-E263 PolarHBondContact O-N 3.04Å; T260-E263 PolarHBondContact OG1-N 3.05Å; L261-E263 VanDerWaalsContact C-N 3.25Å; L261-E263 PolarHBondContact O-N 3.31Å; E263-R267 VanDerWaalsContact CD-CZ 3.49Å; E263-R267 VanDerWaalsContact O-CG 3.3Å; E263-R267 WeakPolarHBondContact O-CG 3.19Å; E263-R267 PolarHBondContact O-N 3.47Å; E263-R267 PolarHBondContact O-NH1 2.72Å; E263-R267 IonicContact OE1-CZ 3.72Å; E263-R267 VanDerWaalsContact OE1-CZ 3.3Å; E263-R267 IonicContact OE1-NH1 3.09Å; E263-R267 PolarHBondContact OE1-NH1 3.45Å; E263-R267 IonicContact OE1-NH2 3.4Å; E263-R267 PolarHBondContact OE1-NH2 2.85Å; E263-R267 IonicContact OE2-CZ 2.76Å; E263-R267 IonicContact OE2-NH1 2.71Å; E263-R267 PolarHBondContact OE2-NH1 3.3Å; E263-R267 VanDerWaalsContact OE2-NH1 3.09Å; E263-R267 IonicContact OE2-NH2 3.29Å; E263-R267 PolarHBondContact OE2-NH2 3.24Å
264V92.3Very high83.4Confident5 Ų571.7 Ų71.73%0.0338%0.379CS..Hα-helixtrans-70.5-52.8166.6-170.80000109P258 T260 L261 E262 E266 R267 I268 L285 F288 A313 L317P258-V264 HydrophobicContact CB-CB 4.41Å; P258-V264 HydrophobicContact CB-CG2 3.46Å; P258-V264 VanDerWaalsContact CB-CG2 3.46Å; P258-V264 HydrophobicContact CG-CB 4.48Å; P258-V264 HydrophobicContact CG-CG2 3.78Å; T260-V264 PolarHBondContact O-N 2.7Å; L261-V264 WeakPolarHBondContact O-CA 3.27Å; L261-V264 VanDerWaalsContact O-CB 3.29Å; L261-V264 WeakPolarHBondContact O-CB 3.38Å; L261-V264 PolarHBondContact O-N 2.81Å; E262-V264 VanDerWaalsContact C-N 3.31Å; E262-V264 PolarHBondContact O-N 3.29Å; V264-E266 VanDerWaalsContact C-N 3.3Å; V264-E266 PolarHBondContact O-N 3.49Å; V264-R267 PolarHBondContact O-N 3.37Å; V264-R267 VanDerWaalsContact O-N 3.12Å; V264-I268 WeakPolarHBondContact O-CG1 3.47Å; V264-I268 PolarHBondContact O-N 3.48Å; V264-I268 VanDerWaalsContact O-N 3.1Å; V264-L285 HydrophobicContact CG2-CD2 3.41Å; V264-L285 VanDerWaalsContact CG2-CD2 3.41Å; V264-F288 HydrophobicContact CG1-CD1 4.47Å; V264-F288 HydrophobicContact CG1-CE1 3.69Å; V264-F288 HydrophobicContact CG1-CZ 3.85Å; V264-A313 HydrophobicContact CG1-CB 3.94Å; V264-L317 HydrophobicContact CG2-CD1 4.41Å
265L92.8Very high85.2Confident2 Ų272.5 Ų72.51%0.0138%0.38CS..Hα-helixtrans-61.4-36.9-176.2-64.2177.4000112L261 E262 I268 G269 L270 G274 L277 F288L261-L265 HydrophobicContact CD1-CD1 4.28Å; L261-L265 HydrophobicContact CD1-CG 4.19Å; L261-L265 HydrophobicContact CG-CD1 4.19Å; L261-L265 WeakPolarHBondContact O-CG 3.5Å; L261-L265 PolarHBondContact O-N 2.91Å; E262-L265 PolarHBondContact O-N 3.46Å; L265-I268 HydrophobicContact CD2-CD1 4.14Å; L265-I268 WeakPolarHBondContact O-CG1 3.43Å; L265-G269 PolarHBondContact O-N 2.82Å; L265-L270 PolarHBondContact O-N 3.26Å; L265-G274 VanDerWaalsContact CD1-CA 3.48Å; L265-L277 HydrophobicContact CD1-CD1 4Å; L265-L277 HydrophobicContact CD2-CD1 3.92Å; L265-F288 HydrophobicContact CD2-CE2 4.13Å
266E91.9Very high87Confident137 Ų13767.8 Ų67.864%0.6436%0.361SS*.Hα-helixtrans-63.2-47.1172.7-172.1179.7-16600112E262 V264 I268 G269 T271E262-E266 WeakPolarHBondContact O-CB 3.46Å; E262-E266 PolarHBondContact O-N 2.99Å; V264-E266 VanDerWaalsContact C-N 3.3Å; V264-E266 PolarHBondContact O-N 3.49Å; E266-I268 VanDerWaalsContact C-N 3.32Å; E266-I268 PolarHBondContact O-N 3.17Å; E266-G269 PolarHBondContact O-N 3.19Å; E266-G269 VanDerWaalsContact O-N 3.12Å; E266-T271 HydrophobicContact CB-CG2 4.05Å; E266-T271 HydrophobicContact CG-CG2 4.46Å
267R90.1Very high88.3Confident120 Ų12062.5 Ų62.545%0.45333%0.333SS..Hα-helixtrans-63.5-34.5179.8-75.4179.6-175.794.4-8.4113.4P258 E263 V264P258-R267 VanDerWaalsContact CB-NH1 3.35Å; E263-R267 VanDerWaalsContact CD-CZ 3.49Å; E263-R267 VanDerWaalsContact O-CG 3.3Å; E263-R267 WeakPolarHBondContact O-CG 3.19Å; E263-R267 PolarHBondContact O-N 3.47Å; E263-R267 PolarHBondContact O-NH1 2.72Å; E263-R267 IonicContact OE1-CZ 3.72Å; E263-R267 VanDerWaalsContact OE1-CZ 3.3Å; E263-R267 IonicContact OE1-NH1 3.09Å; E263-R267 PolarHBondContact OE1-NH1 3.45Å; E263-R267 IonicContact OE1-NH2 3.4Å; E263-R267 PolarHBondContact OE1-NH2 2.85Å; E263-R267 IonicContact OE2-CZ 2.76Å; E263-R267 IonicContact OE2-NH1 2.71Å; E263-R267 PolarHBondContact OE2-NH1 3.3Å; E263-R267 VanDerWaalsContact OE2-NH1 3.09Å; E263-R267 IonicContact OE2-NH2 3.29Å; E263-R267 PolarHBondContact OE2-NH2 3.24Å; V264-R267 PolarHBondContact O-N 3.37Å; V264-R267 VanDerWaalsContact O-N 3.12Å
268I91.3Very high89.4Confident40 Ų4061.9 Ų61.921%0.20534%0.337CS..Hα-helixtrans-88.5-4.6176.667.2-178.3000113.5V264 L265 E266 L270 K309 I310 A313V264-I268 WeakPolarHBondContact O-CG1 3.47Å; V264-I268 PolarHBondContact O-N 3.48Å; V264-I268 VanDerWaalsContact O-N 3.1Å; L265-I268 HydrophobicContact CD2-CD1 4.14Å; L265-I268 WeakPolarHBondContact O-CG1 3.43Å; E266-I268 VanDerWaalsContact C-N 3.32Å; E266-I268 PolarHBondContact O-N 3.17Å; I268-L270 HydrophobicContact CD1-CB 4.18Å; I268-L270 HydrophobicContact CD1-CD1 3.8Å; I268-L270 HydrophobicContact CD1-CG 4.15Å; I268-L270 HydrophobicContact CG1-CB 3.95Å; I268-L270 HydrophobicContact CG1-CD1 4.12Å; I268-L270 HydrophobicContact CG1-CG 3.92Å; I268-K309 HydrophobicContact CB-CB 4.41Å; I268-I310 HydrophobicContact CD1-CG1 4.32Å; I268-A313 HydrophobicContact CD1-CB 4.49Å; I268-A313 HydrophobicContact CG2-CB 4.06Å
269G89.6Confident90.2Very high58 Ų5868.1 Ų68.160%0.59837%0.366SS*.THydrogen-bonded Turntrans72.727179.600000114.6L265 E266L265-G269 PolarHBondContact O-N 2.82Å; E266-G269 PolarHBondContact O-N 3.19Å; E266-G269 VanDerWaalsContact O-N 3.12Å
270L91.3Very high91Very high11 Ų1164.9 Ų64.96%0.05835%0.351CS..  trans-118.236.7-178.3-57.3-177.1000112.5L265 I268 E272 L273 Q306 K309 I310L265-L270 PolarHBondContact O-N 3.26Å; I268-L270 HydrophobicContact CD1-CB 4.18Å; I268-L270 HydrophobicContact CD1-CD1 3.8Å; I268-L270 HydrophobicContact CD1-CG 4.15Å; I268-L270 HydrophobicContact CG1-CB 3.95Å; I268-L270 HydrophobicContact CG1-CD1 4.12Å; I268-L270 HydrophobicContact CG1-CG 3.92Å; L270-E272 PolarHBondContact O-N 3.39Å; L270-L273 HydrophobicContact CB-CD1 3.99Å; L270-L273 HydrophobicContact CB-CG 4.29Å; L270-L273 HydrophobicContact CD1-CD1 3.96Å; L270-L273 HydrophobicContact CG-CD1 4.44Å; L270-L273 WeakPolarHBondContact O-CB 3.36Å; L270-L273 PolarHBondContact O-N 2.96Å; L270-Q306 HydrophobicContact CD1-CB 4.18Å; L270-Q306 HydrophobicContact CD1-CG 4.31Å; L270-Q306 HydrophobicContact CD2-CG 3.78Å; L270-K309 HydrophobicContact CD1-CB 3.93Å; L270-K309 HydrophobicContact CD1-CD 4.34Å; L270-K309 HydrophobicContact CD2-CD 4.39Å; L270-K309 HydrophobicContact CG-CD 4.45Å; L270-I310 HydrophobicContact CD1-CD1 4.26Å; L270-I310 HydrophobicContact CD1-CG1 3.88Å
271T91.2Very high91Very high85 Ų8563.5 Ų63.552%0.52135%0.35SS..THydrogen-bonded Turntrans-56.1-31.7179.951.70000113.4E266 L273 G274E266-T271 HydrophobicContact CB-CG2 4.05Å; E266-T271 HydrophobicContact CG-CG2 4.46Å; T271-L273 PolarHBondContact O-N 3.08Å; T271-G274 PolarHBondContact O-N 3.1Å
272E90Very high91Very high167 Ų16765 Ų6578%0.7836%0.356SS*.THydrogen-bonded Turntrans-61-28.3177.3-60.5-178.917600113.2L270 G274L270-E272 PolarHBondContact O-N 3.39Å; E272-G274 VanDerWaalsContact C-N 3.25Å; E272-G274 PolarHBondContact O-N 3.18Å
273L89.8Confident91Very high15 Ų1565.7 Ų65.78%0.07936%0.359CS..Hα-helixtrans-75.2-12.6177-60.2-177.5000113L270 T271 S275 L276 L277 I301 I310L270-L273 HydrophobicContact CB-CD1 3.99Å; L270-L273 HydrophobicContact CB-CG 4.29Å; L270-L273 HydrophobicContact CD1-CD1 3.96Å; L270-L273 HydrophobicContact CG-CD1 4.44Å; L270-L273 WeakPolarHBondContact O-CB 3.36Å; L270-L273 PolarHBondContact O-N 2.96Å; T271-L273 PolarHBondContact O-N 3.08Å; L273-S275 VanDerWaalsContact C-N 3.34Å; L273-S275 PolarHBondContact O-N 3.03Å; L273-L276 HydrophobicContact CD2-CD2 4.13Å; L273-L276 PolarHBondContact O-N 3.49Å; L273-L276 VanDerWaalsContact O-N 3.12Å; L273-L277 HydrophobicContact CB-CD1 4.2Å; L273-L277 WeakPolarHBondContact O-CB 3.16Å; L273-L277 WeakPolarHBondContact O-CG 3.3Å; L273-L277 PolarHBondContact O-N 2.95Å; L273-I301 HydrophobicContact CD1-CD1 4.1Å; L273-I301 HydrophobicContact CD2-CD1 4.39Å; L273-I301 HydrophobicContact CD2-CG1 4.38Å; L273-I310 HydrophobicContact CD1-CD1 3.79Å
274G90.4Very high90.9Very high21 Ų2164.6 Ų64.622%0.21636%0.359CS..Hα-helixtrans-58.2-43.9-178.500000112.9L265 T271 E272 L276 S278L265-G274 VanDerWaalsContact CD1-CA 3.48Å; T271-G274 PolarHBondContact O-N 3.1Å; E272-G274 VanDerWaalsContact C-N 3.25Å; E272-G274 PolarHBondContact O-N 3.18Å; G274-L276 PolarHBondContact O-N 3.32Å; G274-S278 WeakPolarHBondContact O-CB 3.31Å; G274-S278 PolarHBondContact O-N 3.05Å
275S92.1Very high90.8Very high92 Ų9266.5 Ų66.564%0.64337%0.369SS*.Hα-helixtrans-65.2-37.5176.1-57.40000112.6L273 M279L273-S275 VanDerWaalsContact C-N 3.34Å; L273-S275 PolarHBondContact O-N 3.03Å; S275-M279 WeakPolarHBondContact O-CG 3.49Å; S275-M279 PolarHBondContact O-N 2.63Å
276L92Very high90.7Very high47 Ų4774.5 Ų74.525%0.24641%0.406CS..Hα-helixtrans-70-48.2-179.9-177.366.6000111.1L273 G274 S278 M279 H280 L299 I301L273-L276 HydrophobicContact CD2-CD2 4.13Å; L273-L276 PolarHBondContact O-N 3.49Å; L273-L276 VanDerWaalsContact O-N 3.12Å; G274-L276 PolarHBondContact O-N 3.32Å; L276-S278 PolarHBondContact O-N 3.06Å; L276-M279 HydrophobicContact CD1-CE 4.24Å; L276-M279 PolarHBondContact O-N 2.95Å; L276-H280 PolarHBondContact O-CD2 3.21Å; L276-H280 PolarHBondContact O-N 2.88Å; L276-L299 HydrophobicContact CG-CD2 4.38Å; L276-I301 HydrophobicContact CD2-CD1 4.47Å; L276-I301 HydrophobicContact CD2-CG1 4.26Å
277L91.1Very high90.7Very high0 Ų071.1 Ų71.10%039%0.393CS..Hα-helixtrans-58.2-46.8174.2-75.2167.6000111.1L265 L273 M279 H280 G281 F282 L291 L299L265-L277 HydrophobicContact CD1-CD1 4Å; L265-L277 HydrophobicContact CD2-CD1 3.92Å; L273-L277 HydrophobicContact CB-CD1 4.2Å; L273-L277 WeakPolarHBondContact O-CB 3.16Å; L273-L277 WeakPolarHBondContact O-CG 3.3Å; L273-L277 PolarHBondContact O-N 2.95Å; L277-M279 PolarHBondContact O-N 2.92Å; L277-H280 CarbonylContact O-C 3.5Å; L277-H280 PolarHBondContact O-N 3.23Å; L277-H280 VanDerWaalsContact O-N 3.13Å; L277-G281 PolarHBondContact O-N 2.73Å; L277-G281 VanDerWaalsContact O-N 3.16Å; L277-F282 CarbonylContact C-O 3.55Å; L277-F282 HydrophobicContact CB-CB 3.96Å; L277-F282 HydrophobicContact CD2-CB 3.93Å; L277-F282 HydrophobicContact CD2-CD2 3.95Å; L277-F282 HydrophobicContact CD2-CG 4.01Å; L277-F282 WeakPolarHBondContact O-CB 3.41Å; L277-F282 PolarHBondContact O-N 3.16Å; L277-L291 HydrophobicContact CD2-CD1 4.01Å; L277-L299 HydrophobicContact CD2-CD1 3.7Å
278S92.3Very high90.8Very high55 Ų5565.4 Ų65.439%0.38537%0.371SS..Hα-helixtrans-59.5-44.8177.31800000112.9G274 L276 H280 G281G274-S278 WeakPolarHBondContact O-CB 3.31Å; G274-S278 PolarHBondContact O-N 3.05Å; L276-S278 PolarHBondContact O-N 3.06Å; S278-H280 PolarHBondContact O-N 3.08Å; S278-G281 PolarHBondContact O-N 2.68Å
279M90.3Very high90.7Very high151 Ų15164.5 Ų64.574%0.74437%0.372SS*.Hα-helixtrans-61.4-31.9175.8-76.1-166.1-50.900113.3S275 L276 L277 G281S275-M279 WeakPolarHBondContact O-CG 3.49Å; S275-M279 PolarHBondContact O-N 2.63Å; L276-M279 HydrophobicContact CD1-CE 4.24Å; L276-M279 PolarHBondContact O-N 2.95Å; L277-M279 PolarHBondContact O-N 2.92Å; M279-G281 VanDerWaalsContact C-N 3.32Å
280H91.1Very high90.7Very high103 Ų10363.7 Ų63.748%0.47736%0.363SS..THydrogen-bonded Turntrans-88.45.4176.8-79-102.6000113.8L276 L277 S278 F282 L299L276-H280 PolarHBondContact O-CD2 3.21Å; L276-H280 PolarHBondContact O-N 2.88Å; L277-H280 CarbonylContact O-C 3.5Å; L277-H280 PolarHBondContact O-N 3.23Å; L277-H280 VanDerWaalsContact O-N 3.13Å; S278-H280 PolarHBondContact O-N 3.08Å; H280-F282 HydrophobicContact CB-CD2 3.91Å; H280-F282 HydrophobicContact CB-CE2 4Å; H280-L299 HydrophobicContact CB-CD2 3.55Å; H280-L299 VanDerWaalsContact CD2-CD2 3.49Å; H280-L299 WeakPolarHBondContact CD2-CD2 3.45Å
281G88.4Confident90.7Very high37 Ų3763.4 Ų63.438%0.38136%0.362SS..THydrogen-bonded Turntrans93.8-7.3175.100000115.4L277 S278 M279 Q283L277-G281 PolarHBondContact O-N 2.73Å; L277-G281 VanDerWaalsContact O-N 3.16Å; S278-G281 PolarHBondContact O-N 2.68Å; M279-G281 VanDerWaalsContact C-N 3.32Å; G281-Q283 PolarHBondContact O-N 3.35Å
282F90.9Very high90.7Very high37 Ų3766 Ų6616%0.16237%0.366CS..  trans-74.590.1175.2-58-83.3000109.6L261 L277 H280 D287 L291 H295 L299L261-F282 WeakPolarHBondContact CD2-O 3.15Å; L277-F282 CarbonylContact C-O 3.55Å; L277-F282 HydrophobicContact CB-CB 3.96Å; L277-F282 HydrophobicContact CD2-CB 3.93Å; L277-F282 HydrophobicContact CD2-CD2 3.95Å; L277-F282 HydrophobicContact CD2-CG 4.01Å; L277-F282 WeakPolarHBondContact O-CB 3.41Å; L277-F282 PolarHBondContact O-N 3.16Å; H280-F282 HydrophobicContact CB-CD2 3.91Å; H280-F282 HydrophobicContact CB-CE2 4Å; F282-D287 HydrophobicContact CB-CB 4.35Å; F282-D287 HydrophobicContact CD1-CB 3.77Å; F282-D287 HydrophobicContact CG-CB 4.49Å; F282-L291 HydrophobicContact CD1-CD2 3.74Å; F282-L291 HydrophobicContact CD1-CG 4.07Å; F282-L291 HydrophobicContact CD2-CD2 4.48Å; F282-L291 HydrophobicContact CE1-CD2 3.35Å; F282-L291 HydrophobicContact CE1-CG 4.01Å; F282-L291 HydrophobicContact CE2-CD2 4.15Å; F282-L291 HydrophobicContact CG-CD2 4.31Å; F282-L291 HydrophobicContact CZ-CD2 3.58Å; F282-H295 HydrophobicContact CZ-CB 4.26Å; F282-L299 HydrophobicContact CD2-CD1 4.46Å; F282-L299 HydrophobicContact CE2-CD1 4.17Å; F282-L299 HydrophobicContact CE2-CD2 4.35Å
283Q89.9Confident90.9Very high129 Ų12962.8 Ų62.860%0.60335%0.351SS*.  trans-119.4-20.4-177.3-71.9174.784.100112.7G281 D287G281-Q283 PolarHBondContact O-N 3.35Å; Q283-D287 PolarHBondContact N-OD2 3.05Å
284S90.6Very high91Very high44 Ų4464.9 Ų64.931%0.30837%0.367SS..SBendtrans-103.1165.1176.577.40000112.7E286 D287 F288S284-E286 PolarHBondContact O-N 3.22Å; S284-E286 PolarHBondContact OG-N 2.87Å; S284-D287 VanDerWaalsContact CB-OD2 3.28Å; S284-D287 WeakPolarHBondContact CB-OD2 3.49Å; S284-D287 PolarHBondContact N-OD2 3.36Å; S284-D287 PolarHBondContact OG-N 3.18Å; S284-D287 VanDerWaalsContact OG-N 3.08Å; S284-D287 PolarHBondContact OG-OD2 2.82Å; S284-F288 PolarHBondContact O-N 3.13Å
285L90.6Very high91.1Very high46 Ų4666.6 Ų66.624%0.24137%0.369CS..Hα-helixtrans-66.4-24.1169.5-71.9172.7000112.7P258 V264 G289 L317P258-L285 HydrophobicContact CB-CD2 4.47Å; P258-L285 VanDerWaalsContact O-CD1 3.27Å; P258-L285 WeakPolarHBondContact O-CD1 3.35Å; V264-L285 HydrophobicContact CG2-CD2 3.41Å; V264-L285 VanDerWaalsContact CG2-CD2 3.41Å; L285-G289 PolarHBondContact O-N 3.03Å; L285-L317 HydrophobicContact CD2-CD1 4.44Å
286E90.6Very high91.2Very high169 Ų16962.2 Ų62.279%0.7934%0.338SS*.Hα-helixtrans-73.6-48.8178.7-171.8174176.500110.5S284 F288 G289 G290S284-E286 PolarHBondContact O-N 3.22Å; S284-E286 PolarHBondContact OG-N 2.87Å; E286-F288 VanDerWaalsContact C-N 3.25Å; E286-F288 PolarHBondContact O-N 3.12Å; E286-G289 PolarHBondContact O-N 3.4Å; E286-G290 PolarHBondContact O-N 3.06Å; E286-G290 VanDerWaalsContact O-N 3.1Å
287D90.9Very high91.2Very high67 Ų6764.6 Ų64.636%0.35835%0.351SS..Hα-helixtrans-57.1-42.9173.6-47.4-54.5000110.8F282 Q283 S284 G290F282-D287 HydrophobicContact CB-CB 4.35Å; F282-D287 HydrophobicContact CD1-CB 3.77Å; F282-D287 HydrophobicContact CG-CB 4.49Å; Q283-D287 PolarHBondContact N-OD2 3.05Å; S284-D287 VanDerWaalsContact CB-OD2 3.28Å; S284-D287 WeakPolarHBondContact CB-OD2 3.49Å; S284-D287 PolarHBondContact N-OD2 3.36Å; S284-D287 PolarHBondContact OG-N 3.18Å; S284-D287 VanDerWaalsContact OG-N 3.08Å; S284-D287 PolarHBondContact OG-OD2 2.82Å; D287-G290 PolarHBondContact O-N 3.1Å
288F91.9Very high91.3Very high0 Ų070.9 Ų70.90%038%0.381CS..Hα-helixtrans-66.7-44.2178-176.1-91.3000111.8L261 V264 L265 S284 E286 G290 L291 I310 A313 T314 L317L261-F288 HydrophobicContact CD1-CB 3.72Å; L261-F288 HydrophobicContact CD1-CD1 4.4Å; L261-F288 HydrophobicContact CD1-CD2 3.3Å; L261-F288 HydrophobicContact CD1-CE2 3.99Å; L261-F288 HydrophobicContact CD1-CG 3.55Å; V264-F288 HydrophobicContact CG1-CD1 4.47Å; V264-F288 HydrophobicContact CG1-CE1 3.69Å; V264-F288 HydrophobicContact CG1-CZ 3.85Å; L265-F288 HydrophobicContact CD2-CE2 4.13Å; S284-F288 PolarHBondContact O-N 3.13Å; E286-F288 VanDerWaalsContact C-N 3.25Å; E286-F288 PolarHBondContact O-N 3.12Å; F288-G290 PolarHBondContact O-N 3.12Å; F288-L291 HydrophobicContact CB-CD1 4.45Å; F288-L291 HydrophobicContact CD2-CD1 3.42Å; F288-L291 VanDerWaalsContact CD2-CD1 3.42Å; F288-L291 HydrophobicContact CE2-CD1 3.82Å; F288-L291 HydrophobicContact CG-CD1 4.06Å; F288-L291 VanDerWaalsContact O-CB 3.29Å; F288-L291 WeakPolarHBondContact O-CB 3.39Å; F288-L291 WeakPolarHBondContact O-CG 3.37Å; F288-L291 PolarHBondContact O-N 3.12Å; F288-I310 HydrophobicContact CE2-CG2 3.94Å; F288-I310 HydrophobicContact CZ-CG2 3.92Å; F288-A313 HydrophobicContact CE1-CB 4.03Å; F288-A313 HydrophobicContact CZ-CB 4.13Å; F288-T314 HydrophobicContact CD1-CG2 3.87Å; F288-T314 HydrophobicContact CE1-CG2 3.65Å; F288-T314 HydrophobicContact CZ-CG2 4.21Å; F288-T314 WeakPolarHBondContact O-CG2 3.48Å; F288-L317 HydrophobicContact CD1-CD1 3.67Å; F288-L317 HydrophobicContact CE1-CD1 3.97Å
289G90Very high91.2Very high21 Ų2168.5 Ų68.522%0.21636%0.363CS..Hα-helixtrans-59.9-24.9175.600000113.8L285 E286L285-G289 PolarHBondContact O-N 3.03Å; E286-G289 PolarHBondContact O-N 3.4Å
290G88.8Confident91.2Very high41 Ų4167.4 Ų67.442%0.42336%0.361SS..THydrogen-bonded Turntrans-84-1.2172.500000115.8E286 D287 F288 K292 H295E286-G290 PolarHBondContact O-N 3.06Å; E286-G290 VanDerWaalsContact O-N 3.1Å; D287-G290 PolarHBondContact O-N 3.1Å; F288-G290 PolarHBondContact O-N 3.12Å; G290-K292 PolarHBondContact O-N 3.37Å; G290-H295 PolarHBondContact O-CE1 2.95Å; G290-H295 PolarHBondContact O-ND1 3.27Å
291L91.5Very high91.1Very high5 Ų562.7 Ų62.73%0.02634%0.339CS..  trans-64.9126.2-179.7-77.6168000112L277 F282 F288 H295 L296 L299 I310 T314L277-L291 HydrophobicContact CD2-CD1 4.01Å; F282-L291 HydrophobicContact CD1-CD2 3.74Å; F282-L291 HydrophobicContact CD1-CG 4.07Å; F282-L291 HydrophobicContact CD2-CD2 4.48Å; F282-L291 HydrophobicContact CE1-CD2 3.35Å; F282-L291 HydrophobicContact CE1-CG 4.01Å; F282-L291 HydrophobicContact CE2-CD2 4.15Å; F282-L291 HydrophobicContact CG-CD2 4.31Å; F282-L291 HydrophobicContact CZ-CD2 3.58Å; F288-L291 HydrophobicContact CB-CD1 4.45Å; F288-L291 HydrophobicContact CD2-CD1 3.42Å; F288-L291 VanDerWaalsContact CD2-CD1 3.42Å; F288-L291 HydrophobicContact CE2-CD1 3.82Å; F288-L291 HydrophobicContact CG-CD1 4.06Å; F288-L291 VanDerWaalsContact O-CB 3.29Å; F288-L291 WeakPolarHBondContact O-CB 3.39Å; F288-L291 WeakPolarHBondContact O-CG 3.37Å; F288-L291 PolarHBondContact O-N 3.12Å; L291-H295 HydrophobicContact CD2-CB 3.71Å; L291-L296 HydrophobicContact CD2-CD2 4.44Å; L291-L299 HydrophobicContact CD2-CD1 4.33Å; L291-I310 HydrophobicContact CD1-CG2 3.99Å; L291-T314 HydrophobicContact CB-CG2 4.17Å
292K92.4Very high91.3Very high138 Ų13866.3 Ų66.360%0.635%0.354SS*.  trans-115165.2173.1-65.8179.8-176.3175.50109.8G290 S294 H295 L296G290-K292 PolarHBondContact O-N 3.37Å; K292-S294 PolarHBondContact O-N 3.33Å; K292-S294 VanDerWaalsContact O-N 3.16Å; K292-H295 PolarHBondContact N-ND1 3.34Å; K292-H295 WeakPolarHBondContact O-CB 3.49Å; K292-H295 PolarHBondContact O-N 2.93Å; K292-L296 PolarHBondContact O-N 3.46Å
293E92.6Very high91.4Very high101 Ų10168 Ų6847%0.47237%0.365SS..Hα-helixtrans-59-27.4178.6-171.8157.6-156.100113.7L296 N297 R307 L311E293-L296 PolarHBondContact O-N 3.04Å; E293-N297 PolarHBondContact O-N 2.92Å; E293-N297 VanDerWaalsContact O-N 3.09Å; E293-R307 VanDerWaalsContact CD-NH2 3.33Å; E293-R307 IonicContact OE1-CZ 3.3Å; E293-R307 VanDerWaalsContact OE1-CZ 3.29Å; E293-R307 IonicContact OE1-NE 3.29Å; E293-R307 PolarHBondContact OE1-NE 3.16Å; E293-R307 IonicContact OE1-NH2 2.7Å; E293-R307 PolarHBondContact OE1-NH2 3.46Å; E293-L311 HydrophobicContact CB-CD1 4.46Å
294S92.5Very high91.6Very high58 Ų5865.2 Ų65.241%0.40636%0.363SS..Hα-helixtrans-60.5-48.9169.3500000112.7K292 L296 N297 E298K292-S294 PolarHBondContact O-N 3.33Å; K292-S294 VanDerWaalsContact O-N 3.16Å; S294-L296 VanDerWaalsContact C-N 3.3Å; S294-L296 PolarHBondContact O-N 3.48Å; S294-N297 WeakPolarHBondContact O-CB 3.48Å; S294-N297 PolarHBondContact O-N 3.18Å; S294-N297 VanDerWaalsContact O-N 3.1Å; S294-E298 PolarHBondContact O-N 3.34Å
295H93.2Very high91.8Very high57 Ų5768.8 Ų68.826%0.26438%0.375SS..Hα-helixtrans-63.9-38.4179.6-50.6156.4000110.6F282 G290 L291 K292 N297 E298 L299F282-H295 HydrophobicContact CZ-CB 4.26Å; G290-H295 PolarHBondContact O-CE1 2.95Å; G290-H295 PolarHBondContact O-ND1 3.27Å; L291-H295 HydrophobicContact CD2-CB 3.71Å; K292-H295 PolarHBondContact N-ND1 3.34Å; K292-H295 WeakPolarHBondContact O-CB 3.49Å; K292-H295 PolarHBondContact O-N 2.93Å; H295-N297 VanDerWaalsContact C-N 3.29Å; H295-N297 PolarHBondContact O-N 3.22Å; H295-E298 PolarHBondContact O-N 2.98Å; H295-L299 WeakPolarHBondContact O-CB 3.49Å; H295-L299 WeakPolarHBondContact O-CD1 3.29Å; H295-L299 WeakPolarHBondContact O-CG 3.49Å; H295-L299 PolarHBondContact O-N 3.4Å
296L93.4Very high92Very high0 Ų069.2 Ų69.20%038%0.376CS..Hα-helixtrans-63.8-34.6175.2-58.6-176.5000112.4L291 K292 E293 S294 L299 N300 I301 R307 I310 L311L291-L296 HydrophobicContact CD2-CD2 4.44Å; K292-L296 PolarHBondContact O-N 3.46Å; E293-L296 PolarHBondContact O-N 3.04Å; S294-L296 VanDerWaalsContact C-N 3.3Å; S294-L296 PolarHBondContact O-N 3.48Å; L296-L299 HydrophobicContact CD2-CD1 4.32Å; L296-L299 PolarHBondContact O-N 3.35Å; L296-N300 PolarHBondContact O-N 2.92Å; L296-I301 HydrophobicContact CB-CB 4.31Å; L296-I301 HydrophobicContact CD2-CD1 3.91Å; L296-I301 WeakPolarHBondContact O-CA 3.48Å; L296-I301 WeakPolarHBondContact O-CB 3.45Å; L296-I301 PolarHBondContact O-N 3.33Å; L296-R307 HydrophobicContact CB-CG 4.41Å; L296-R307 HydrophobicContact CD1-CB 4.1Å; L296-R307 HydrophobicContact CD1-CG 4.02Å; L296-I310 HydrophobicContact CD1-CB 4.34Å; L296-I310 HydrophobicContact CD1-CD1 4.49Å; L296-I310 HydrophobicContact CD1-CG2 4.34Å; L296-I310 HydrophobicContact CD2-CD1 3.79Å; L296-I310 HydrophobicContact CD2-CG2 4.05Å; L296-L311 HydrophobicContact CD1-CD2 4.39Å; L296-L311 HydrophobicContact CD1-CG 4.16Å
297N93.1Very high92.2Very high97 Ų9763.2 Ų63.252%0.51935%0.346SS..Hα-helixtrans-67.4-43.2174.1-170.276.1000112.2E293 S294 H295 L299 N300E293-N297 PolarHBondContact O-N 2.92Å; E293-N297 VanDerWaalsContact O-N 3.09Å; S294-N297 WeakPolarHBondContact O-CB 3.48Å; S294-N297 PolarHBondContact O-N 3.18Å; S294-N297 VanDerWaalsContact O-N 3.1Å; H295-N297 VanDerWaalsContact C-N 3.29Å; H295-N297 PolarHBondContact O-N 3.22Å; N297-L299 VanDerWaalsContact C-N 3.3Å; N297-L299 PolarHBondContact O-N 2.98Å; N297-N300 PolarHBondContact O-N 3.1Å
298E92.1Very high92.3Very high132 Ų13263.9 Ų63.962%0.61735%0.353SS*.Hα-helixtrans-64.2-33.4175.3-69165.8-148.100112.6S294 H295 N300S294-E298 PolarHBondContact O-N 3.34Å; H295-E298 PolarHBondContact O-N 2.98Å; E298-N300 PolarHBondContact O-N 3.11Å; E298-N300 PolarHBondContact O-ND2 3.36Å
299L90Very high92.5Very high5 Ų567.4 Ų67.43%0.02637%0.368CS..THydrogen-bonded Turntrans-73.4-1.1172.3-67.4166.3000113.6L276 L277 H280 F282 L291 H295 L296 N297 I301L276-L299 HydrophobicContact CG-CD2 4.38Å; L277-L299 HydrophobicContact CD2-CD1 3.7Å; H280-L299 HydrophobicContact CB-CD2 3.55Å; H280-L299 VanDerWaalsContact CD2-CD2 3.49Å; H280-L299 WeakPolarHBondContact CD2-CD2 3.45Å; F282-L299 HydrophobicContact CD2-CD1 4.46Å; F282-L299 HydrophobicContact CE2-CD1 4.17Å; F282-L299 HydrophobicContact CE2-CD2 4.35Å; L291-L299 HydrophobicContact CD2-CD1 4.33Å; H295-L299 WeakPolarHBondContact O-CB 3.49Å; H295-L299 WeakPolarHBondContact O-CD1 3.29Å; H295-L299 WeakPolarHBondContact O-CG 3.49Å; H295-L299 PolarHBondContact O-N 3.4Å; L296-L299 HydrophobicContact CD2-CD1 4.32Å; L296-L299 PolarHBondContact O-N 3.35Å; N297-L299 VanDerWaalsContact C-N 3.3Å; N297-L299 PolarHBondContact O-N 2.98Å; L299-I301 HydrophobicContact CB-CD1 3.77Å; L299-I301 HydrophobicContact CB-CG1 3.91Å; L299-I301 HydrophobicContact CD1-CD1 3.96Å; L299-I301 PolarHBondContact O-N 3.32Å
300N89.9Confident92.7Very high129 Ų12966.4 Ų66.469%0.6936%0.358SS*.THydrogen-bonded Turntrans59.924.7-172.6-56.4-89.2000114.2L296 N297 E298 T302L296-N300 PolarHBondContact O-N 2.92Å; N297-N300 PolarHBondContact O-N 3.1Å; E298-N300 PolarHBondContact O-N 3.11Å; E298-N300 PolarHBondContact O-ND2 3.36Å; N300-T302 VanDerWaalsContact C-N 3.32Å; N300-T302 PolarHBondContact O-N 2.97Å
301I90.8Very high92.9Very high4 Ų466.9 Ų66.92%0.02135%0.35CS..  trans-82.482.6173.4-57.1167000107.7L273 L276 L296 L299 Q306 R307 I310L273-I301 HydrophobicContact CD1-CD1 4.1Å; L273-I301 HydrophobicContact CD2-CD1 4.39Å; L273-I301 HydrophobicContact CD2-CG1 4.38Å; L276-I301 HydrophobicContact CD2-CD1 4.47Å; L276-I301 HydrophobicContact CD2-CG1 4.26Å; L296-I301 HydrophobicContact CB-CB 4.31Å; L296-I301 HydrophobicContact CD2-CD1 3.91Å; L296-I301 WeakPolarHBondContact O-CA 3.48Å; L296-I301 WeakPolarHBondContact O-CB 3.45Å; L296-I301 PolarHBondContact O-N 3.33Å; L299-I301 HydrophobicContact CB-CD1 3.77Å; L299-I301 HydrophobicContact CB-CG1 3.91Å; L299-I301 HydrophobicContact CD1-CD1 3.96Å; L299-I301 PolarHBondContact O-N 3.32Å; I301-Q306 HydrophobicContact CG2-CB 3.74Å; I301-R307 HydrophobicContact CG2-CG 4.21Å; I301-R307 WeakPolarHBondContact O-CD 3.47Å; I301-R307 WeakPolarHBondContact O-CG 3.02Å; I301-R307 PolarHBondContact O-NH1 3.19Å; I301-I310 HydrophobicContact CD1-CD1 4.15Å; I301-I310 HydrophobicContact CG2-CD1 4.46Å
302T91.4Very high93Very high112 Ų11270 Ų7069%0.68737%0.37SS*.  trans-87.7-14.3-179.155.80000113.4N300N300-T302 VanDerWaalsContact C-N 3.32Å; N300-T302 PolarHBondContact O-N 2.97Å
303D94.2Very high93Very high74 Ų7464 Ų6440%0.39635%0.345SS..  trans-71.5128.9-179.9-178.876.3000112.3E305 Q306 R307D303-E305 PolarHBondContact O-N 3.41Å; D303-E305 WeakPolarHBondContact OD2-CA 3.19Å; D303-E305 VanDerWaalsContact OD2-CB 3.31Å; D303-E305 WeakPolarHBondContact OD2-CB 3.5Å; D303-E305 PolarHBondContact OD2-N 3.36Å; D303-Q306 HydrophobicContact CB-CB 4.11Å; D303-Q306 HydrophobicContact CB-CG 3.96Å; D303-Q306 PolarHBondContact O-N 3.13Å; D303-Q306 WeakPolarHBondContact OD2-CG 3.45Å; D303-Q306 PolarHBondContact OD2-N 3.06Å; D303-R307 WeakPolarHBondContact O-CD 3.25Å; D303-R307 VanDerWaalsContact O-CG 3.24Å; D303-R307 WeakPolarHBondContact O-CG 3.27Å; D303-R307 PolarHBondContact O-N 3.39Å
304A93.8Very high93.1Very high69 Ų6959.7 Ų59.757%0.5733%0.326SS*.Hα-helixtrans-69.4-32.2-176.100000113T308A304-T308 WeakPolarHBondContact O-CB 3.4Å; A304-T308 WeakPolarHBondContact O-CG2 3.44Å; A304-T308 PolarHBondContact O-N 3.44Å; A304-T308 PolarHBondContact O-OG1 3.49Å
305E94.4Very high93Very high120 Ų12062.5 Ų62.556%0.56133%0.333SS*.Hα-helixtrans-72.1-40.2175.5-58-165.8-177.100111.4D303 T308 K309D303-E305 PolarHBondContact O-N 3.41Å; D303-E305 WeakPolarHBondContact OD2-CA 3.19Å; D303-E305 VanDerWaalsContact OD2-CB 3.31Å; D303-E305 WeakPolarHBondContact OD2-CB 3.5Å; D303-E305 PolarHBondContact OD2-N 3.36Å; E305-T308 WeakPolarHBondContact CA-OG1 3.48Å; E305-T308 PolarHBondContact O-OG1 3.29Å; E305-T308 VanDerWaalsContact O-OG1 3.09Å; E305-K309 VanDerWaalsContact O-CB 3.25Å; E305-K309 WeakPolarHBondContact O-CB 3.25Å; E305-K309 VanDerWaalsContact O-CD 3.25Å; E305-K309 WeakPolarHBondContact O-CD 3.5Å; E305-K309 WeakPolarHBondContact O-CG 3.34Å; E305-K309 PolarHBondContact O-N 3.4Å; E305-K309 IonicContact OE2-NZ 2.66Å; E305-K309 PolarHBondContact OE2-NZ 3.27Å
306Q94.1Very high92.8Very high54 Ų5464.8 Ų64.825%0.25235%0.346SS..Hα-helixtrans-63.2-46.5175.7-65.7-171.1-19.600111L270 I301 D303 K309 I310L270-Q306 HydrophobicContact CD1-CB 4.18Å; L270-Q306 HydrophobicContact CD1-CG 4.31Å; L270-Q306 HydrophobicContact CD2-CG 3.78Å; I301-Q306 HydrophobicContact CG2-CB 3.74Å; D303-Q306 HydrophobicContact CB-CB 4.11Å; D303-Q306 HydrophobicContact CB-CG 3.96Å; D303-Q306 PolarHBondContact O-N 3.13Å; D303-Q306 WeakPolarHBondContact OD2-CG 3.45Å; D303-Q306 PolarHBondContact OD2-N 3.06Å; Q306-K309 PolarHBondContact O-N 3.1Å; Q306-I310 WeakPolarHBondContact O-CD1 3.48Å; Q306-I310 VanDerWaalsContact O-CG1 3.27Å; Q306-I310 WeakPolarHBondContact O-CG1 3.42Å; Q306-I310 PolarHBondContact O-N 3.04Å
307R94.2Very high92.5Very high44 Ų4465.5 Ų65.517%0.16635%0.35CS..Hα-helixtrans-58.6-50.1176.9-68.5161.184.3111.3-16.4112E293 L296 I301 D303 I310 L311E293-R307 VanDerWaalsContact CD-NH2 3.33Å; E293-R307 IonicContact OE1-CZ 3.3Å; E293-R307 VanDerWaalsContact OE1-CZ 3.29Å; E293-R307 IonicContact OE1-NE 3.29Å; E293-R307 PolarHBondContact OE1-NE 3.16Å; E293-R307 IonicContact OE1-NH2 2.7Å; E293-R307 PolarHBondContact OE1-NH2 3.46Å; L296-R307 HydrophobicContact CB-CG 4.41Å; L296-R307 HydrophobicContact CD1-CB 4.1Å; L296-R307 HydrophobicContact CD1-CG 4.02Å; I301-R307 HydrophobicContact CG2-CG 4.21Å; I301-R307 WeakPolarHBondContact O-CD 3.47Å; I301-R307 WeakPolarHBondContact O-CG 3.02Å; I301-R307 PolarHBondContact O-NH1 3.19Å; D303-R307 WeakPolarHBondContact O-CD 3.25Å; D303-R307 VanDerWaalsContact O-CG 3.24Å; D303-R307 WeakPolarHBondContact O-CG 3.27Å; D303-R307 PolarHBondContact O-N 3.39Å; R307-I310 PolarHBondContact O-N 3.4Å; R307-L311 WeakPolarHBondContact O-CB 3.46Å; R307-L311 VanDerWaalsContact O-CG 3.28Å; R307-L311 WeakPolarHBondContact O-CG 3.44Å; R307-L311 PolarHBondContact O-N 2.98Å
308T94.4Very high92.1Very high81 Ų8169.4 Ų69.450%0.49736%0.358SS..Hα-helixtrans-64-43.8179.248.90000112.2A304 E305 I310 L311 T312A304-T308 WeakPolarHBondContact O-CB 3.4Å; A304-T308 WeakPolarHBondContact O-CG2 3.44Å; A304-T308 PolarHBondContact O-N 3.44Å; A304-T308 PolarHBondContact O-OG1 3.49Å; E305-T308 WeakPolarHBondContact CA-OG1 3.48Å; E305-T308 PolarHBondContact O-OG1 3.29Å; E305-T308 VanDerWaalsContact O-OG1 3.09Å; T308-I310 VanDerWaalsContact C-N 3.34Å; T308-I310 PolarHBondContact O-N 3.09Å; T308-L311 PolarHBondContact O-N 3.41Å; T308-T312 WeakPolarHBondContact O-CB 3.33Å; T308-T312 PolarHBondContact O-N 2.93Å; T308-T312 PolarHBondContact O-OG1 2.96Å
309K95.2Very high91.5Very high74 Ų7467.3 Ų67.332%0.32235%0.351SS..Hα-helixtrans-58.2-42.8175.3-74.6162.8-164.7160.70112.4I268 L270 E305 Q306 A313I268-K309 HydrophobicContact CB-CB 4.41Å; L270-K309 HydrophobicContact CD1-CB 3.93Å; L270-K309 HydrophobicContact CD1-CD 4.34Å; L270-K309 HydrophobicContact CD2-CD 4.39Å; L270-K309 HydrophobicContact CG-CD 4.45Å; E305-K309 VanDerWaalsContact O-CB 3.25Å; E305-K309 WeakPolarHBondContact O-CB 3.25Å; E305-K309 VanDerWaalsContact O-CD 3.25Å; E305-K309 WeakPolarHBondContact O-CD 3.5Å; E305-K309 WeakPolarHBondContact O-CG 3.34Å; E305-K309 PolarHBondContact O-N 3.4Å; E305-K309 IonicContact OE2-NZ 2.66Å; E305-K309 PolarHBondContact OE2-NZ 3.27Å; Q306-K309 PolarHBondContact O-N 3.1Å; K309-A313 WeakPolarHBondContact O-CB 3.39Å; K309-A313 PolarHBondContact O-N 2.9Å; K309-A313 VanDerWaalsContact O-N 3.11Å
310I94.2Very high90.6Very high0 Ų068.3 Ų68.30%036%0.358CS..Hα-helixtrans-68.3-52.8178-65.1162.9000110.5I268 L270 L273 F288 L291 L296 I301 Q306 R307 T308 T312 A313 T314I268-I310 HydrophobicContact CD1-CG1 4.32Å; L270-I310 HydrophobicContact CD1-CD1 4.26Å; L270-I310 HydrophobicContact CD1-CG1 3.88Å; L273-I310 HydrophobicContact CD1-CD1 3.79Å; F288-I310 HydrophobicContact CE2-CG2 3.94Å; F288-I310 HydrophobicContact CZ-CG2 3.92Å; L291-I310 HydrophobicContact CD1-CG2 3.99Å; L296-I310 HydrophobicContact CD1-CB 4.34Å; L296-I310 HydrophobicContact CD1-CD1 4.49Å; L296-I310 HydrophobicContact CD1-CG2 4.34Å; L296-I310 HydrophobicContact CD2-CD1 3.79Å; L296-I310 HydrophobicContact CD2-CG2 4.05Å; I301-I310 HydrophobicContact CD1-CD1 4.15Å; I301-I310 HydrophobicContact CG2-CD1 4.46Å; Q306-I310 WeakPolarHBondContact O-CD1 3.48Å; Q306-I310 VanDerWaalsContact O-CG1 3.27Å; Q306-I310 WeakPolarHBondContact O-CG1 3.42Å; Q306-I310 PolarHBondContact O-N 3.04Å; R307-I310 PolarHBondContact O-N 3.4Å; T308-I310 VanDerWaalsContact C-N 3.34Å; T308-I310 PolarHBondContact O-N 3.09Å; I310-T312 VanDerWaalsContact C-N 3.34Å; I310-T312 PolarHBondContact O-N 2.87Å; I310-A313 CarbonylContact O-C 3.59Å; I310-A313 WeakPolarHBondContact O-CA 3.34Å; I310-A313 WeakPolarHBondContact O-CB 3.43Å; I310-A313 PolarHBondContact O-N 3.42Å; I310-T314 HydrophobicContact CG2-CG2 4.37Å; I310-T314 WeakPolarHBondContact O-CG2 3.24Å; I310-T314 PolarHBondContact O-N 2.99Å
311L93.4Very high89.4Confident51 Ų5166.8 Ų66.827%0.26735%0.35SS..Hα-helixtrans-60.4-40.5-178.3-67.5169.6000112.3E293 L296 R307 T308 A313 T314 E315E293-L311 HydrophobicContact CB-CD1 4.46Å; L296-L311 HydrophobicContact CD1-CD2 4.39Å; L296-L311 HydrophobicContact CD1-CG 4.16Å; R307-L311 WeakPolarHBondContact O-CB 3.46Å; R307-L311 VanDerWaalsContact O-CG 3.28Å; R307-L311 WeakPolarHBondContact O-CG 3.44Å; R307-L311 PolarHBondContact O-N 2.98Å; T308-L311 PolarHBondContact O-N 3.41Å; L311-A313 VanDerWaalsContact C-N 3.32Å; L311-A313 PolarHBondContact O-N 3.47Å; L311-T314 PolarHBondContact O-N 3.04Å; L311-T314 PolarHBondContact O-OG1 2.99Å; L311-E315 WeakPolarHBondContact O-CB 3.28Å; L311-E315 PolarHBondContact O-N 3.41Å
312T94.2Very high87.9Confident71 Ų7172.9 Ų72.944%0.43638%0.383SS..Hα-helixtrans-65.3-35.1173-58.50000112T308 I310 L316T308-T312 WeakPolarHBondContact O-CB 3.33Å; T308-T312 PolarHBondContact O-N 2.93Å; T308-T312 PolarHBondContact O-OG1 2.96Å; I310-T312 VanDerWaalsContact C-N 3.34Å; I310-T312 PolarHBondContact O-N 2.87Å; T312-L316 HydrophobicContact CG2-CD1 4.2Å; T312-L316 WeakPolarHBondContact O-CB 3.42Å; T312-L316 VanDerWaalsContact O-CG 3.25Å; T312-L316 WeakPolarHBondContact O-CG 3.25Å; T312-L316 PolarHBondContact O-N 2.81Å; T312-L316 VanDerWaalsContact O-N 3.1Å
313A92.9Very high86.2Confident10 Ų1072.9 Ų72.98%0.08338%0.375CS..Hα-helixtrans-69.8-34.8175.600000112.7V264 I268 F288 K309 I310 L311 L317V264-A313 HydrophobicContact CG1-CB 3.94Å; I268-A313 HydrophobicContact CD1-CB 4.49Å; I268-A313 HydrophobicContact CG2-CB 4.06Å; F288-A313 HydrophobicContact CE1-CB 4.03Å; F288-A313 HydrophobicContact CZ-CB 4.13Å; K309-A313 WeakPolarHBondContact O-CB 3.39Å; K309-A313 PolarHBondContact O-N 2.9Å; K309-A313 VanDerWaalsContact O-N 3.11Å; I310-A313 CarbonylContact O-C 3.59Å; I310-A313 WeakPolarHBondContact O-CA 3.34Å; I310-A313 WeakPolarHBondContact O-CB 3.43Å; I310-A313 PolarHBondContact O-N 3.42Å; L311-A313 VanDerWaalsContact C-N 3.32Å; L311-A313 PolarHBondContact O-N 3.47Å; A313-L317 WeakPolarHBondContact O-CG 3.1Å; A313-L317 PolarHBondContact O-N 2.93Å
314T92.7Very high84Confident12 Ų1273 Ų737%0.07438%0.382CS..Hα-helixtrans-70.6-40.4175.362.60000111.9F288 L291 I310 L311 L317 R318F288-T314 HydrophobicContact CD1-CG2 3.87Å; F288-T314 HydrophobicContact CE1-CG2 3.65Å; F288-T314 HydrophobicContact CZ-CG2 4.21Å; F288-T314 WeakPolarHBondContact O-CG2 3.48Å; L291-T314 HydrophobicContact CB-CG2 4.17Å; I310-T314 HydrophobicContact CG2-CG2 4.37Å; I310-T314 WeakPolarHBondContact O-CG2 3.24Å; I310-T314 PolarHBondContact O-N 2.99Å; L311-T314 PolarHBondContact O-N 3.04Å; L311-T314 PolarHBondContact O-OG1 2.99Å; T314-L317 PolarHBondContact O-N 3.09Å; T314-R318 WeakPolarHBondContact O-CG 3.42Å; T314-R318 PolarHBondContact O-N 2.76Å; T314-R318 VanDerWaalsContact O-N 3.08Å
315E91.1Very high81.3Confident117 Ų11777.2 Ų77.255%0.54739%0.389SS..Hα-helixtrans-57.6-50173.1-170.5173.2-15700111.4L311 L317 R318 D319L311-E315 WeakPolarHBondContact O-CB 3.28Å; L311-E315 PolarHBondContact O-N 3.41Å; E315-L317 VanDerWaalsContact C-N 3.25Å; E315-L317 PolarHBondContact O-N 3.39Å; E315-R318 PolarHBondContact O-N 3.06Å; E315-D319 PolarHBondContact O-N 2.76Å
316L88.9Confident78.8Confident104 Ų10475.5 Ų75.555%0.54539%0.389SS..Hα-helixtrans-62-27.7177.5-71.8171000114.3T312 S320T312-L316 HydrophobicContact CG2-CD1 4.2Å; T312-L316 WeakPolarHBondContact O-CB 3.42Å; T312-L316 VanDerWaalsContact O-CG 3.25Å; T312-L316 WeakPolarHBondContact O-CG 3.25Å; T312-L316 PolarHBondContact O-N 2.81Å; T312-L316 VanDerWaalsContact O-N 3.1Å; L316-S320 WeakPolarHBondContact O-CB 3.46Å; L316-S320 PolarHBondContact O-OG 3.49Å
317L87.3Confident76.4Confident15 Ų1582.8 Ų82.88%0.07942%0.423CS..Hα-helixtrans-72.5-44172.7-74.1169.1000110.9K257 P258 V264 L285 F288 A313 T314 E315 S320 D321K257-L317 HydrophobicContact CG-CD2 4.5Å; P258-L317 HydrophobicContact CG-CD2 4.35Å; V264-L317 HydrophobicContact CG2-CD1 4.41Å; L285-L317 HydrophobicContact CD2-CD1 4.44Å; F288-L317 HydrophobicContact CD1-CD1 3.67Å; F288-L317 HydrophobicContact CE1-CD1 3.97Å; A313-L317 WeakPolarHBondContact O-CG 3.1Å; A313-L317 PolarHBondContact O-N 2.93Å; T314-L317 PolarHBondContact O-N 3.09Å; E315-L317 VanDerWaalsContact C-N 3.25Å; E315-L317 PolarHBondContact O-N 3.39Å; L317-S320 WeakPolarHBondContact O-CA 3.36Å; L317-S320 VanDerWaalsContact O-CB 3.31Å; L317-S320 WeakPolarHBondContact O-CB 3.31Å; L317-S320 PolarHBondContact O-N 3.37Å; L317-D321 PolarHBondContact O-N 3.06Å
318R85.6Confident73.8Confident180 Ų18088.7 Ų88.768%0.67945%0.452SS*.Hα-helixtrans-64.1-45.3178-67.4-176.566.6-176.2-2.2112.5T314 E315 S320 D321 D322T314-R318 WeakPolarHBondContact O-CG 3.42Å; T314-R318 PolarHBondContact O-N 2.76Å; T314-R318 VanDerWaalsContact O-N 3.08Å; E315-R318 PolarHBondContact O-N 3.06Å; R318-S320 PolarHBondContact O-N 2.71Å; R318-D321 PolarHBondContact O-N 3.05Å; R318-D322 PolarHBondContact O-N 3.27Å
319D78.4Confident71.4Confident87 Ų8793.9 Ų93.947%0.46547%0.471SS..Hα-helixtrans-57.9-14.1172.2-70.8-3.7000113.2K253 E315K253-D319 PolarHBondContact NZ-O 2.94Å; E315-D319 PolarHBondContact O-N 2.76Å
320S71.8Confident68.6Low26 Ų2699.8 Ų99.818%0.18250%0.499CS..Hα-helixtrans-101.3-2.5-179.7-59.50000114.6K253 K257 L316 L317 R318K253-S320 WeakPolarHBondContact CE-OG 3.46Å; K257-S320 PolarHBondContact NZ-O 2.92Å; L316-S320 WeakPolarHBondContact O-CB 3.46Å; L316-S320 PolarHBondContact O-OG 3.49Å; L317-S320 WeakPolarHBondContact O-CA 3.36Å; L317-S320 VanDerWaalsContact O-CB 3.31Å; L317-S320 WeakPolarHBondContact O-CB 3.31Å; L317-S320 PolarHBondContact O-N 3.37Å; R318-S320 PolarHBondContact O-N 2.71Å
321D65.6Low65.7Low97 Ų97102.8 Ų102.852%0.51953%0.531SS..Hα-helixtrans-105-38.3166.2-74.6-72000110.7K257 L317 R318 E323 S324K257-D321 IonicContact NZ-OD1 3.05Å; K257-D321 PolarHBondContact NZ-OD1 2.9Å; K257-D321 IonicContact NZ-OD2 3.88Å; K257-D321 PolarHBondContact NZ-OD2 3.47Å; L317-D321 PolarHBondContact O-N 3.06Å; R318-D321 PolarHBondContact O-N 3.05Å; D321-E323 PolarHBondContact O-N 3.32Å; D321-S324 WeakPolarHBondContact O-CB 3.34Å; D321-S324 PolarHBondContact O-N 3.38Å; D321-S324 PolarHBondContact O-OG 3.09Å
322D57.4Low62.9Low133 Ų133105.6 Ų105.671%0.71155%0.554SS**Hα-helixtrans-62.1-36.7-179.9-157.2-99.9000113.7R318 S324R318-D322 PolarHBondContact O-N 3.27Å; D322-S324 PolarHBondContact O-N 3.35Å
323E57.1Low60Low112 Ų112106.8 Ų106.852%0.52357%0.566SS.*THydrogen-bonded Turntrans-7313.4177.3-149-163.5141.300113.6N249 K253 D321N249-E323 PolarHBondContact ND2-OE1 3.28Å; K253-E323 IonicContact NZ-OE2 3.03Å; K253-E323 PolarHBondContact NZ-OE2 2.89Å; D321-E323 PolarHBondContact O-N 3.32Å
324S48.3Very low57.3Low77 Ų77111.6 Ų111.654%0.53859%0.594SS.*THydrogen-bonded Turntrans-95.8-23-178.4-48.80000114D321 D322 P326D321-S324 WeakPolarHBondContact O-CB 3.34Å; D321-S324 PolarHBondContact O-N 3.38Å; D321-S324 PolarHBondContact O-OG 3.09Å; D322-S324 PolarHBondContact O-N 3.35Å; S324-P326 VanDerWaalsContact O-CD 3.28Å; S324-P326 WeakPolarHBondContact O-CD 3.44Å
325E36.8Very low54.7Low156 Ų156119.5 Ų119.573%0.72963%0.631SS**  trans-65.1118.2-175.6-62.7-66.2101.700110.6
326P41.2Very low52.4Low85 Ų85120.6 Ų120.655%0.55264%0.636SS**  trans-66.1145149.931.6-30.6000108.2S324 E328S324-P326 VanDerWaalsContact O-CD 3.28Å; S324-P326 WeakPolarHBondContact O-CD 3.44Å; P326-E328 VanDerWaalsContact C-N 3.3Å; P326-E328 HydrophobicContact CG-CG 4.33Å; P326-E328 PolarHBondContact O-N 2.86Å
327E43.3Very low50.1Low206 Ų206123.9 Ų123.996%0.96365%0.646SS**  trans-63.494.3164.1-65.4177.8174.800108.3
328E39.8Very low47.7Very low169 Ų169126.6 Ų126.679%0.7968%0.677SS**  trans-100.9125.4159.8-69.4-163.9-17600108.1P326 E330P326-E328 VanDerWaalsContact C-N 3.3Å; P326-E328 HydrophobicContact CG-CG 4.33Å; P326-E328 PolarHBondContact O-N 2.86Å; E328-E330 PolarHBondContact O-N 3.27Å
329E43.6Very low45.9Very low190 Ų190125.9 Ų125.989%0.88869%0.686SS**  trans-60.6134.1-179.3-62.9-178.8132.900110G331E329-G331 PolarHBondContact O-N 2.92Å
330E36.8Very low44.4Very low197 Ų197127.3 Ų127.392%0.92170%0.698SS**  trans-64.972.7161-93.3-77.6168.500109.3E328E328-E330 PolarHBondContact O-N 3.27Å
331G34.7Very low43.7Very low64 Ų64131.3 Ų131.366%0.6672%0.724SS**  trans-109.868.3179.300000110.2E329 S333E329-G331 PolarHBondContact O-N 2.92Å; G331-S333 PolarHBondContact O-N 3.33Å
332S33.7Very low43.4Very low109 Ų109139 Ų13976%0.76275%0.745SS**  trans-55.1107178.1179.20000112.6
333S33Very low42.5Very low97 Ų97139.3 Ų139.368%0.67875%0.747SS**  173118.5125.440.40000114.6G331G331-S333 PolarHBondContact O-N 3.33Å
334T35.5Very low42.3Very low110 Ų110138.9 Ų138.968%0.67576%0.756SS**  59.6105.4125.1-45.10000120.6
335E38.4Very low42.3Very low179 Ų179139.1 Ų139.184%0.83677%0.771SS**  trans67.2150.3146.3-60.8166.1-153.900117.6
336E42.8Very low42.8Very low140 Ų140137.9 Ų137.965%0.65478%0.778SS**  cis-154.5153.3-2.7-139.5-150.5147.400108.7
337K41.3Very low42.9Very low173 Ų173142.6 Ų142.675%0.75279%0.79SS**  trans51.9120.9140-173.2-164.4-90.1115.90120.5
338G36.8Very low42.6Very low71 Ų71142.1 Ų142.173%0.73279%0.788SS**  trans156.993.4149.700000118.2
339D48Very low42.3Very low165 Ų165138 Ų13888%0.88278%0.778SS**  trans-78113.4169.1-177.48.9000111
340V45.8Very low42.3Very low118 Ų118134.8 Ų134.872%0.71577%0.771SS**  trans-146.6130.3172-173.10000110.1
341P57.2Low42.4Very low110 Ų110134.7 Ų134.771%0.71477%0.771SS**  trans-68.5133.8175.828.5-34.6000111.3D343P341-D343 VanDerWaalsContact C-N 3.33Å; P341-D343 PolarHBondContact O-N 3.39Å
342R59.7Low42.4Very low259 Ų259138.8 Ų138.898%0.97778%0.778SS**  trans-76.279.3-176.3-151.3173.3-165.8136.2-1110.8
343D39.9Very low42.7Very low139 Ų139142.5 Ų142.574%0.74379%0.785SS**  trans-76.3149.5-179.9-165.914.6000113P341P341-D343 VanDerWaalsContact C-N 3.33Å; P341-D343 PolarHBondContact O-N 3.39Å
344S52.2Low42.9Very low102 Ų102146 Ų14671%0.71379%0.791SS**  trans0.1120.4171.3-55.30000118.8
345G48.7Very low42.7Very low82 Ų82147.2 Ų147.285%0.84579%0.793SS**  trans-75.5160.3165.900000113.3
346C46.3Very low42.4Very low131 Ų131142.3 Ų142.389%0.88579%0.79SS**  trans-142.7143.5162.2-157.50000110
347F43.4Very low41.9Very low184 Ų184146.1 Ų146.181%0.80780%0.799SS**  trans-69.6156.6171.6-96.3-118.2000110.6
348E37.4Very low41.3Very low195 Ų195146.3 Ų146.391%0.91180%0.802SS**  -168.7160.8100.5-159.6137.8-149.700111
349S33.3Very low41.2Very low83 Ų83150.5 Ų150.558%0.5880%0.803SS**  trans-98.2164.2-165.5-53.90000113.2
350T43.4Very low40.9Very low123 Ų123148.1 Ų148.176%0.75580%0.796SS**  trans21.8124.6143.856.70000119.6
351E39.4Very low40.1Very low195 Ų195151.1 Ų151.191%0.91180%0.802SS**  172.3175.2108.264.5-170.313500114.4
352N34.1Very low38.8Very low149 Ų149149.5 Ų149.580%0.79781%0.806SS**  trans-81.5145.1-167.6-72.5-4.6000115
353M39.2Very low37.7Very low188 Ų188146.4 Ų146.493%0.92680%0.803SS**  -141.6102.3129.4-65.3-165.580.700106.7
354E37.5Very low37.7Very low170 Ų170145.9 Ų145.979%0.79481%0.806SS**  66.8114.772.9-175.1149.430.100115.7
355N32Very low36.6Very low136 Ų136144.3 Ų144.373%0.72781%0.806SS**  trans88.2116.1152.7-143.416.5000119.6
356G32Very low35.8Very low75 Ų75148.1 Ų148.177%0.77380%0.804SS**  trans-177.643.4179.100000115
357R31.3Very low35.1Very low221 Ų221149.8 Ų149.883%0.83480%0.797SS**  trans-31.8128.9-179.6-56.4171179.6-138.2-2116.2
358H30.6Very low34.6Very low177 Ų177148.2 Ų148.282%0.81979%0.791SS**  -169.7122.6111.2-128.4-84.4000112.3
359E33.7Very low34.3Very low159 Ų159147.6 Ų147.674%0.74379%0.786SS**  trans-92.2153.1151.9-112-162.7117.200108
360P42.6Very low34.1Very low115 Ų115148 Ų14875%0.74779%0.789SS**  -145.4151.988.635.6-17.7000116.9
361E27.6Very low33.5Very low180 Ų180149.5 Ų149.584%0.84179%0.792SS**  trans-14.3149.7153.4-53.6-174.8138.300119.2
362G30.2Very low33.2Very low77 Ų77148.7 Ų148.779%0.79479%0.789SS**  trans166.958.7159.800000119.2
363E36.1Very low33.4Very low194 Ų194150.1 Ų150.191%0.90779%0.79SS**  trans-79.1140.5146.8-79.2-153.6147.200108
364P41.3Very low33.6Very low127 Ų127146.5 Ų146.583%0.82578%0.781SS**  -154.8166.566.540-19.7000118.5
365G28.1Very low33.5Very low69 Ų69146.7 Ų146.771%0.71178%0.782SS**  117.798.3127.700000121.8
366M32.2Very low33.6Very low162 Ų162148.8 Ų148.880%0.79879%0.787SS**  73.4127.1127.4-64.5-163.7-17300123.9
367K31.3Very low33.9Very low167 Ų167153.7 Ų153.773%0.72679%0.79SS**  trans78.4145.7144.1-65.8163.1-173.31690116.8
368Q32.2Very low34.2Very low150 Ų150151.7 Ų151.770%0.70179%0.79SS**  cis-165.7156.98.3-129170.8-9.500113.1
369K32.1Very low34.6Very low182 Ų182147.8 Ų147.879%0.79178%0.783SS**  trans70.7145.7156.6-70.1175.3179.7-179.50118.1
370S29.2Very low35.3Very low93 Ų93148.9 Ų148.965%0.6579%0.788SS**  cis-169.8146.8-1.442.50000112.3
371N30.2Very low35.7Very low154 Ų154151.1 Ų151.182%0.82479%0.788SS**  trans49.9146154.6-56.813.6000118.7
372Q34.5Very low36.7Very low178 Ų178148.3 Ų148.383%0.83278%0.779SS**  cis-154.816718.9-157163.52.700111
373E37Very low37.6Very low179 Ų179152.2 Ų152.284%0.83678%0.777SS**  trans-19.3156.7178.8-134140.194.600123.5
374P43.2Very low38.3Very low112 Ų112149.6 Ų149.673%0.72777%0.768SS**  trans-109.5-154178.744.4-33.5000114.3
375E35.4Very low38.7Very low173 Ų173146.6 Ų146.681%0.80875%0.75SS**  trans94.5136.4175-50.2-157.914500114.9
376Q33.9Very low39.9Very low180 Ų180146.2 Ų146.284%0.84174%0.737SS**  cis-151156.544.9-75.5169.8-15.500114.2
377Q38.7Very low41Very low178 Ų178142.7 Ų142.783%0.83272%0.724SS**  trans-106.5174.8156.7-71.9179.1-20.100108.9
378Q38.5Very low42.2Very low180 Ų180141.2 Ų141.284%0.84172%0.72SS**  trans81.5112.5168-49.7177.5-75.700117.2
379S38.7Very low43.5Very low95 Ų95141 Ų14166%0.66472%0.719SS**  trans-168.966.7152.165.30000112
380E47.9Very low44.6Very low181 Ų181138.4 Ų138.485%0.84671%0.709SS**SBendtrans-121.1-5.5166.5-72.1-166.4152.600113.6
381E50.9Low45.9Very low163 Ų163139.8 Ų139.876%0.76271%0.709SS**SBendtrans-86.7-16.7177.6-64-174.8120.700113.3Q383E381-Q383 VanDerWaalsContact C-N 3.31Å; E381-Q383 PolarHBondContact O-N 3.5Å
382D48.8Very low47.2Very low120 Ų120139 Ų13964%0.64270%0.7SS**Hα-helixtrans-76.4-6.9-178.6-75.5-37.9000115.1S385D382-S385 PolarHBondContact O-OG 3.22Å
383Q48.4Very low48.2Very low160 Ų160137.9 Ų137.975%0.74870%0.695SS**Hα-helixtrans-94.3-8.1179.2-70-15773.600114.5E381E381-Q383 VanDerWaalsContact C-N 3.31Å; E381-Q383 PolarHBondContact O-N 3.5Å
384L51Low49Very low139 Ų139138.3 Ų138.373%0.72870%0.695SS**Hα-helixtrans-96.1-31.9175.9-67.8175.8000112.8V387 E388L384-V387 PolarHBondContact O-N 3.25Å; L384-E388 PolarHBondContact O-N 3.45Å
385S51.6Low49.7Very low63 Ų63138.5 Ų138.544%0.44169%0.694SS.*Hα-helixtrans-63.3-41.7175.152.10000112.9D382 V387 E388 E389D382-S385 PolarHBondContact O-OG 3.22Å; S385-V387 PolarHBondContact O-N 3.44Å; S385-E388 PolarHBondContact O-N 3.48Å; S385-E389 PolarHBondContact O-N 3.24Å; S385-E389 VanDerWaalsContact O-N 3.15Å
386S52.3Low50.7Low62 Ų62135.5 Ų135.543%0.43469%0.687SS.*Hα-helixtrans-65.6-20.5-177.2-170.30000114.5Q390S386-Q390 WeakPolarHBondContact O-CG 3.49Å
387V56.1Low51.7Low88 Ų88134.3 Ų134.353%0.53369%0.686SS.*Hα-helixtrans-91.6-32.9176.9-1750000111.5L384 S385 Q390L384-V387 PolarHBondContact O-N 3.25Å; S385-V387 PolarHBondContact O-N 3.44Å; V387-Q390 PolarHBondContact O-N 3.25Å
388E55.4Low52.5Low135 Ų135134.7 Ų134.763%0.63169%0.688SS**Hα-helixtrans-69.4-36.9176.8-163.6170.116400111.6L384 S385 Q390 L391 Q392L384-E388 PolarHBondContact O-N 3.45Å; S385-E388 PolarHBondContact O-N 3.48Å; E388-Q390 PolarHBondContact O-N 3.28Å; E388-L391 PolarHBondContact O-N 3.46Å; E388-Q392 PolarHBondContact O-N 3.49Å
389E59.5Low53.3Low147 Ų147134.6 Ų134.669%0.68769%0.687SS**Hα-helixtrans-65.7-36176.4-159.9168.2-162.800112.3S385 L391 Q392 E393S385-E389 PolarHBondContact O-N 3.24Å; S385-E389 VanDerWaalsContact O-N 3.15Å; E389-L391 VanDerWaalsContact C-N 3.29Å; E389-L391 PolarHBondContact O-N 3.35Å; E389-Q392 PolarHBondContact O-N 3.36Å; E389-E393 PolarHBondContact O-N 3.15Å
390Q54.8Low54.1Low127 Ų127137.7 Ų137.759%0.59370%0.695SS**Hα-helixtrans-69.7-20.7176.8-73.1178.619.900114.2S386 V387 E388S386-Q390 WeakPolarHBondContact O-CG 3.49Å; V387-Q390 PolarHBondContact O-N 3.25Å; E388-Q390 PolarHBondContact O-N 3.28Å
391L57.5Low53.9Low122 Ų122138.6 Ų138.664%0.63972%0.722SS**Hα-helixtrans-84.6-21.8174.4-73.6169.3000112.7E388 E389 T395E388-L391 PolarHBondContact O-N 3.46Å; E389-L391 VanDerWaalsContact C-N 3.29Å; E389-L391 PolarHBondContact O-N 3.35Å; L391-T395 PolarHBondContact O-OG1 3.4Å
392Q57Low54.1Low138 Ų138137.4 Ų137.465%0.64572%0.719SS**Hα-helixtrans-80.7-31174.1-91.6171.217.300113.3E388 E389 T395E388-Q392 PolarHBondContact O-N 3.49Å; E389-Q392 PolarHBondContact O-N 3.36Å; Q392-T395 PolarHBondContact O-N 3.47Å
393E55.9Low54.3Low154 Ų154138.3 Ų138.372%0.7272%0.724SS**Hα-helixtrans-70-31.3177.7-161.8170.3-165.800112.8E389 T395E389-E393 PolarHBondContact O-N 3.15Å; E393-T395 VanDerWaalsContact C-N 3.33Å; E393-T395 PolarHBondContact O-N 2.93Å
394F53.3Low54.7Low188 Ų188137.1 Ų137.183%0.82572%0.722SS**THydrogen-bonded Turntrans-77.6-9.7178.7-106.4-85.4000115.5
395T56.9Low54.9Low116 Ų116137 Ų13771%0.71272%0.722SS**THydrogen-bonded Turntrans-100.14.4-173.5-40.90000113.2L391 Q392 E393L391-T395 PolarHBondContact O-OG1 3.4Å; Q392-T395 PolarHBondContact O-N 3.47Å; E393-T395 VanDerWaalsContact C-N 3.33Å; E393-T395 PolarHBondContact O-N 2.93Å
396V56.8Low55.1Low109 Ų109141.6 Ų141.666%0.66174%0.74SS**SBendtrans-109.6-17-173.2-174.60000113.5
397D54.8Low55.3Low155 Ų155146.9 Ų146.983%0.82976%0.76SS**THydrogen-bonded Turntrans-94.413.7-178.7-86.7-58.1000115
398E56.8Low55.2Low187 Ų187151.1 Ų151.187%0.87478%0.776SS**THydrogen-bonded Turntrans-109.118.2169.5-147.8179.7138.800113.8
399E55.5Low55.2Low177 Ų177152.4 Ų152.483%0.82779%0.787SS**SBendtrans-133.874.4160-76.5-151.8155.300111.6
400I55Low54.8Low161 Ų161152.8 Ų152.883%0.82680%0.796SS**  trans-179.4100.3141.2-87.4145000109
401S43.5Very low54.8Low200 Ų200155.2 Ų155.2100%1.39981%0.814SS**  trans-177.50145.7-82.10000111.6

Retrieved 401 of 401 residues in 293.6 ms (Link to these results)