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Isoform 3 of Ran-binding protein 3 AlphaSync

Canonical isoform description: Acts as a cofactor for XPO1/CRM1-mediated nuclear export, perhaps as export complex scaffolding protein. Bound to XPO1/CRM1, stabilizes the XPO1/CRM1-cargo interaction. In the absence of Ran-bound GTP prevents binding of XPO1/CRM1 to the nuclear pore complex. Binds to CHC1/RCC1 and increases the guanine nucleotide exchange activity of CHC1/RCC1. Recruits XPO1/CRM1 to CHC1/RCC1 in a Ran-dependent manner. Negative regulator of TGF-beta signaling through interaction with the R-SMAD proteins, SMAD2 and SMAD3, and mediating their nuclear export.

AlphaFold DB , UniProt , Accession Q9H6Z4-3 (canonical: Q9H6Z4), Species HUMAN (Homo sapiens, Human), Gene RANBP3, Length 499 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
1M46Very low49.8Very low252 Ų252156.9 Ų156.9100%1.24188%0.877SS**  0105.70-162.3162.1-174.500104.8
2A44.6Very low50.6Low94 Ų94158 Ų15878%0.77788%0.876SS**  trans-145.399.2-161.500000109.9
3D44.1Very low50.9Low157 Ų157152.2 Ų152.284%0.8486%0.861SS**  trans-121.7179.8162.5-80.6-68.6000107.1
4L53.4Low51.6Low177 Ų177149.1 Ų149.193%0.92785%0.851SS**  trans76.268.8-171.2-49.4178.5000114.5
5A52.2Low52.5Low103 Ų103145.4 Ų145.485%0.85183%0.834SS**  trans-14261.7163.200000110.8
6N48.7Very low53.8Low158 Ų158144.3 Ų144.385%0.84583%0.83SS**  trans-150.563.9178.7-158.645.8000112.4
7E50.2Low54.5Low196 Ų196143.4 Ų143.492%0.91682%0.815SS**  trans-84.5118.8164-81.7-14610700110.3K9E7-K9 PolarHBondContact O-N 3.05Å
8E51.5Low55.5Low184 Ų184142.3 Ų142.386%0.8681%0.811SS**  trans-77.8114177-169.8176.3121.900110.5P10E8-P10 WeakPolarHBondContact O-CD 3.4Å
9K54.1Low55.9Low194 Ų194144.6 Ų144.684%0.84381%0.811SS**  trans-84.3113.4-174.9-161.3170.3-169.5168.70110.3E7 A11E7-K9 PolarHBondContact O-N 3.05Å; K9-A11 PolarHBondContact O-N 3.48Å; K9-A11 VanDerWaalsContact O-N 3.17Å
10P54.5Low56.5Low113 Ų113145.9 Ų145.973%0.73481%0.811SS**  trans-65.9117.6-170.724.6-34.1000112E8 I12E8-P10 WeakPolarHBondContact O-CD 3.4Å; P10-I12 PolarHBondContact O-N 3.02Å
11A49Very low57Low98 Ų98148.1 Ų148.181%0.8181%0.812SS**  trans-78.4104.5-178.300000111.3K9 A13K9-A11 PolarHBondContact O-N 3.48Å; K9-A11 VanDerWaalsContact O-N 3.17Å; A11-A13 PolarHBondContact O-N 3.29Å
12I59.5Low57.9Low170 Ų170142.9 Ų142.987%0.87279%0.789SS**  trans-69100.5177.8-62.6173.1000109.8P10P10-I12 PolarHBondContact O-N 3.02Å
13A54.5Low58.6Low82 Ų82147.7 Ų147.768%0.67879%0.793SS**PPolyproline II helixtrans-73.7142.417700000112.2A11A11-A13 PolarHBondContact O-N 3.29Å
14P59.8Low59.1Low110 Ų110143.6 Ų143.671%0.71479%0.787SS**PPolyproline II helixtrans-70.414917430-34.8000111.6V16P14-V16 PolarHBondContact O-N 3.19Å
15P66.1Low59.2Low93 Ų93144 Ų14460%0.60478%0.784SS**PPolyproline II helixtrans-68.4125.8-174.526.8-34.6000112.7
16V72.3Confident59.4Low128 Ų128148.8 Ų148.878%0.77679%0.786SS**PPolyproline II helixtrans-91.3120.6176.1179.30000110.3P14 V18P14-V16 PolarHBondContact O-N 3.19Å; V16-V18 HydrophobicContact CG1-CG2 4.48Å; V16-V18 PolarHBondContact O-N 2.85Å
17F66.5Low59.6Low128 Ų128152.6 Ų152.656%0.56179%0.788SS**  trans-80.9103.8175.6-79.6-88.3000111.9F19F17-F19 HydrophobicContact CB-CD2 4.48Å; F17-F19 HydrophobicContact CB-CE2 4.3Å
18V71.5Confident59.8Low124 Ų124149.1 Ų149.175%0.75279%0.785SS**  trans-90.1103.2169.1-176.40000109.7V16 Q20V16-V18 HydrophobicContact CG1-CG2 4.48Å; V16-V18 PolarHBondContact O-N 2.85Å; V18-Q20 PolarHBondContact O-N 2.82Å
19F63Low59.5Low186 Ų186145.3 Ų145.382%0.81679%0.786SS**  trans-75.886.1173-85.2-87.5000111.2F17 K21F17-F19 HydrophobicContact CB-CD2 4.48Å; F17-F19 HydrophobicContact CB-CE2 4.3Å; F19-K21 PolarHBondContact O-N 3.19Å
20Q67.6Low59.3Low170 Ų170139.8 Ų139.879%0.79478%0.784SS**  trans-70.2101.6172.6-165.8160.921.400109.9V18 D22V18-Q20 PolarHBondContact O-N 2.82Å; Q20-D22 PolarHBondContact O-N 3.28Å
21K68.8Low59.1Low193 Ų193137.7 Ų137.784%0.83978%0.783SS**  trans-79.185.2-179.3-175.4178178.8172.90110.7F19 K23F19-K21 PolarHBondContact O-N 3.19Å; K21-K23 PolarHBondContact O-N 3.44Å
22D63.9Low59.1Low143 Ų143138.9 Ų138.977%0.76579%0.785SS**  trans-57.3124.2172-95-45.6000111.6Q20 G24Q20-D22 PolarHBondContact O-N 3.28Å; D22-G24 PolarHBondContact O-N 3.37Å
23K59.6Low58.8Low195 Ų195136.1 Ų136.185%0.84878%0.781SS**  trans-83.990.4173.1-74.2-178.2178.3176.10108.2K21 Q25K21-K23 PolarHBondContact O-N 3.44Å; K23-Q25 PolarHBondContact O-N 3.34Å; K23-Q25 VanDerWaalsContact O-N 3.17Å
24G55.1Low58.6Low70 Ų70137.9 Ų137.972%0.72279%0.785SS**  trans-44119.9179.900000112.9D22 K26D22-G24 PolarHBondContact O-N 3.37Å; G24-K26 PolarHBondContact O-N 3.32Å; G24-K26 VanDerWaalsContact O-N 3.09Å
25Q54.6Low58.8Low185 Ų185142.2 Ų142.286%0.86480%0.796SS**  trans-67.4105.9-172.7-171.6174.5-3.200110.5K23 R27K23-Q25 PolarHBondContact O-N 3.34Å; K23-Q25 VanDerWaalsContact O-N 3.17Å; Q25-R27 PolarHBondContact O-N 3.07Å
26K56.5Low58.3Low204 Ų204141.6 Ų141.689%0.88781%0.807SS**  trans-59.7106.8173.6-82.7-170.9173.3-174.10109.7G24G24-K26 PolarHBondContact O-N 3.32Å; G24-K26 VanDerWaalsContact O-N 3.09Å
27R53.3Low57.5Low239 Ų239138.3 Ų138.390%0.90280%0.799SS**PPolyproline II helixtrans-69.3131.8158.3-71.5-171.9-74.7173.5-3.1108.2Q25Q25-R27 PolarHBondContact O-N 3.07Å
28S54Low57.2Low122 Ų122141.2 Ų141.285%0.85381%0.814SS**PPolyproline II helixtrans-75.7150.6178.3-160.50000110.8
29A45.8Very low56.5Low105 Ų105142.5 Ų142.587%0.86882%0.817SS**PPolyproline II helixtrans-95.2116.4173.200000109.7
30G49.5Very low56.4Low78 Ų78138.4 Ų138.480%0.80481%0.811SS**  trans-136.1136.4169.300000108.4
31G49.2Very low56.1Low69 Ų69136.3 Ų136.371%0.71181%0.806SS**  trans-105.3-155.1-166.600000115.5
32S49.9Very low55.6Low123 Ų123136 Ų13686%0.8680%0.799SS**  trans71141.1-167.579.30000113.9
33S53.3Low55.2Low111 Ų111136.3 Ų136.378%0.77680%0.796SS**  cis-151.2150.3-12.2-154.80000109.7
34P50Low55Low119 Ų119134.9 Ų134.977%0.77380%0.797SS**  trans-102.2138.5179.436.3-30.3000113.9
35E65.1Low55.1Low201 Ų201135 Ų13594%0.93980%0.798SS**  trans-150.7151.9161.6-72.5-157.9133.800111.1
36G55.3Low55.2Low81 Ų81134.4 Ų134.484%0.83580%0.802SS**  trans103.9108.1156.900000119.2
37G54.6Low55.1Low59 Ų59134.6 Ų134.661%0.60880%0.798SS**  trans81.5131.7163.900000116.3
38E59.8Low55.4Low189 Ų189128.8 Ų128.888%0.88379%0.793SS**  cis70.9128.422.4111.2-161.163.400113.7
39D57.9Low56.1Low151 Ų151126.6 Ų126.681%0.80778%0.776SS**  cis-156.8-178-1.7-171.221.3000111
40S61.2Low57Low100 Ų100127.6 Ų127.670%0.69977%0.773SS**  trans87.487.1160.368.80000121.8
41D60.8Low57.4Low126 Ų126130.4 Ų130.467%0.67478%0.775SS**  52.9137.5114.5-99.5-0.2000125.3
42R57.5Low57.3Low185 Ų185137 Ų13770%0.69878%0.784SS**  trans71.2144.7154.4-68-176.3-176.77519.5119.3
43E56.4Low57.9Low151 Ų151142.9 Ų142.971%0.70679%0.787SS**  cis-157.1166.7-9.1-127159.9172.300111.1
44D55.6Low57.6Low164 Ų164146.4 Ų146.488%0.87779%0.791SS**  trans57.4146.3164.8-72-29.4000121.8
45G56.7Low57.4Low72 Ų72152.1 Ų152.174%0.74280%0.797SS**  trans143.731.7158.200000122.1
46N56.6Low57Low174 Ų174149.2 Ų149.293%0.9379%0.793SS**  trans43.394.3161-67.8-20.9000119.1
47Y53.9Low56.4Low208 Ų208150.5 Ų150.582%0.81679%0.79SS**  trans-109.4129.3163.8-175.7-106.9000111.7P49Y47-P49 HydrophobicContact CD1-CG 4.27Å; Y47-P49 HydrophobicContact CE1-CB 3.88Å; Y47-P49 HydrophobicContact CE1-CG 3.67Å
48C60.5Low56.1Low116 Ų116153.4 Ų153.478%0.78480%0.801SS**  trans-140102.1176.8-178.30000111P50C48-P50 WeakPolarHBondContact O-CD 3.39Å
49P67.9Low55.8Low77 Ų77152 Ų15250%0.580%0.798SS.*PPolyproline II helixtrans-88119.1179.632.5-31.1000111.6Y47Y47-P49 HydrophobicContact CD1-CG 4.27Å; Y47-P49 HydrophobicContact CE1-CB 3.88Å; Y47-P49 HydrophobicContact CE1-CG 3.67Å
50P65.7Low55.2Low126 Ų126150.8 Ų150.882%0.81880%0.797SS**PPolyproline II helixtrans-68.2143.9171.927.9-33.2000111.5C48C48-P50 WeakPolarHBondContact O-CD 3.39Å
51V56.5Low55Low137 Ų137154.7 Ų154.783%0.8380%0.804SS**PPolyproline II helixtrans-71.4148-169.7-170.40000112.1R53V51-R53 PolarHBondContact O-N 3.32Å
52K48.9Very low53.9Low207 Ų207157.9 Ų157.990%0.981%0.812SS**PPolyproline II helixtrans-48.7130.5166.4-62.7175.1-178.7174.60110.3
53R60.9Low54.4Low247 Ų247154.4 Ų154.493%0.93281%0.813SS**  trans-135.8145.2163.2-156.6166.7-171.6136.43.6110.7V51V51-R53 PolarHBondContact O-N 3.32Å
54E48Very low54Low185 Ų185153.4 Ų153.486%0.86482%0.82SS**  trans-86.8162.1-161.7-63179.4108.100114T56E54-T56 PolarHBondContact O-N 3.38Å
55R46Very low53.4Low238 Ų238151.4 Ų151.490%0.89882%0.819SS**  trans-82.8106179173.7-173.9173.1168.9-1.3110.3
56T55.8Low52.9Low140 Ų140157.3 Ų157.386%0.85983%0.827SS**  trans-127.5127.1162.153.10000110.2E54E54-T56 PolarHBondContact O-N 3.38Å
57S42.2Very low52.3Low108 Ų108154.1 Ų154.176%0.75582%0.818SS**  trans-110.1126.4179.952.20000110.7
58S48.7Very low51.8Low120 Ų120153 Ų15384%0.83982%0.821SS**  trans-168.4166.3154.156.30000112.5
59L54.2Low51Low160 Ų160155.3 Ų155.384%0.83882%0.82SS**  trans77.3110.7155-146.463.4000118.8
60T45.2Very low49.9Very low125 Ų125162.5 Ų162.577%0.76784%0.837SS**  trans-78.5132169.646.10000111.9
61Q55.9Low49.1Very low183 Ų183161.9 Ų161.986%0.85584%0.836SS**  trans-152.4126.7152.1-163.1162.8-0.600110.6
62F39.6Very low48.7Very low192 Ų192160.5 Ų160.584%0.84283%0.832SS**PPolyproline II helixtrans-87.9136.3174.3-77.7-93.3000110.6
63P67.9Low49Very low112 Ų112153.8 Ų153.873%0.72782%0.822SS**PPolyproline II helixtrans-83150.1158.834.1-31.7000110.9
64P47.5Very low48.9Very low130 Ų130151.4 Ų151.484%0.84482%0.819SS**PPolyproline II helixtrans-83.6170.5-179.934.9-36.3000113.7
65S43.4Very low49.6Very low122 Ų122154 Ų15485%0.85382%0.821SS**PPolyproline II helixtrans-64.8139.6-173.6-40.40000115.3
66Q45.9Very low50.8Low196 Ų196150 Ų15092%0.91682%0.816SS**  trans-138.5157.1143.4-102.2-1711.600110.5
67S43.5Very low51.6Low107 Ų107152.9 Ų152.975%0.74882%0.817SS**  trans-81.4140.5-174.251.20000113.1
68E44Very low52.8Low186 Ų186152.6 Ų152.687%0.86981%0.812SS**  trans-161.2149.2134.5-115.8174.5-132.500112.1
69E43.5Very low53.9Low163 Ų163153 Ų15376%0.76281%0.812SS**  trans-102.9108.2-163.7-175.8-176.8-170.500112.2
70R43.9Very low54.6Low229 Ų229150.8 Ų150.886%0.86481%0.806SS**  trans-139.178.1175.5-67.1-62.9171.5-171.6-3.9113.7S72R70-S72 PolarHBondContact O-N 3.31Å
71S48.7Very low55.4Low112 Ų112152.6 Ų152.678%0.78381%0.81SS**  trans-67.988.5175.3-59.40000113.1G73S71-G73 PolarHBondContact O-N 2.74Å
72S49.4Very low55.5Low108 Ų108150.6 Ų150.676%0.75580%0.803SS**  trans-75.956.5177-178.10000113.5R70 F74R70-S72 PolarHBondContact O-N 3.31Å; S72-F74 PolarHBondContact O-N 2.87Å
73G53.9Low56.4Low67 Ų67150 Ų15069%0.69180%0.803SS**  trans-82.5104.7-179.200000113.8S71 R75S71-G73 PolarHBondContact O-N 2.74Å; G73-R75 VanDerWaalsContact C-N 3.26Å; G73-R75 PolarHBondContact O-N 3.44Å
74F59.2Low55.5Low197 Ų197147.2 Ų147.286%0.86479%0.794SS**  trans-71.576.4169.6-90.7-87.7000111.8S72 L76S72-F74 PolarHBondContact O-N 2.87Å; F74-L76 PolarHBondContact O-N 3.43Å
75R63.6Low55.4Low240 Ų240150.2 Ų150.291%0.90680%0.797SS**  trans-88.597.5176-167.3175-169.61674110.9G73 K77G73-R75 VanDerWaalsContact C-N 3.26Å; G73-R75 PolarHBondContact O-N 3.44Å; R75-K77 PolarHBondContact O-N 3.41Å
76L71.5Confident55.4Low153 Ų153149.1 Ų149.180%0.80180%0.795SS**PPolyproline II helixtrans-61.3130.6167.4-65.6175.8000109.5F74F74-L76 PolarHBondContact O-N 3.43Å
77K72.4Confident56Low200 Ų200145.8 Ų145.887%0.8779%0.791SS**PPolyproline II helixtrans-71.5133.4171.3-87.8-177.8171.6179.30109.3R75R75-K77 PolarHBondContact O-N 3.41Å
78P67.2Low56.2Low102 Ų102146.9 Ų146.966%0.66280%0.798SS**PPolyproline II helixtrans-65.2144.7166.629.4-33.9000109.6T80P78-T80 PolarHBondContact O-N 2.89Å
79P72.2Confident56.6Low129 Ų129142.6 Ų142.684%0.83880%0.795SS**PPolyproline II helixtrans-68.8121.7175.728.3-33.2000110.1L81P79-L81 PolarHBondContact O-N 3.24Å
80T67.5Low56.6Low114 Ų114138.4 Ų138.470%0.69980%0.795SS**PPolyproline II helixtrans-71.2118.5170.445.40000109.7P78 I82P78-T80 PolarHBondContact O-N 2.89Å; T80-I82 PolarHBondContact O-N 3.06Å; T80-I82 VanDerWaalsContact O-N 3.07Å
81L62.2Low56.9Low163 Ų163135.6 Ų135.685%0.85380%0.796SS**  trans-75.792.9171.5-165.9165000108.3P79 H83P79-L81 PolarHBondContact O-N 3.24Å; L81-H83 HydrophobicContact CD2-CB 4.49Å; L81-H83 PolarHBondContact O-N 3Å
82I59.5Low56.9Low141 Ų141136 Ų13672%0.72380%0.796SS**  trans-84.8108.9178.4-50.8177.6000108.3T80T80-I82 PolarHBondContact O-N 3.06Å; T80-I82 VanDerWaalsContact O-N 3.07Å
83H56.8Low56.6Low179 Ų179136 Ų13683%0.82980%0.796SS**  trans-89.7112.9174.1-17995.2000110.1L81L81-H83 HydrophobicContact CD2-CB 4.49Å; L81-H83 PolarHBondContact O-N 3Å
84G49.1Very low56.4Low53 Ų53141.9 Ų141.955%0.54681%0.806SS.*SBendtrans89.8153.8166.200000117.2
85Q45.3Very low55.6Low194 Ų194141.8 Ų141.891%0.90781%0.805SS**  trans58.881.2155.3-148.1153.1500118.2
86A44.6Very low54.8Low98 Ų98136 Ų13681%0.8180%0.798SS**PPolyproline II helixtrans-77128.7166.500000111.8
87P57.4Low53.7Low127 Ų127138.2 Ų138.283%0.82580%0.802SS**PPolyproline II helixtrans-73.4134.3169.3-13.729.3000111
88S47.7Very low52.3Low130 Ų130137.4 Ų137.491%0.90980%0.801SS**PPolyproline II helixtrans-85.5117174.3-169.60000110.7
89A53.4Low51.6Low96 Ų96141.2 Ų141.279%0.79381%0.81SS**  trans-129.6115.9172.800000109.1
90G44.2Very low50.5Low74 Ų74144.2 Ų144.276%0.76381%0.813SS**  trans-85.1148.1-17200000114.2
91L49.4Very low49.8Very low170 Ų170150 Ų15089%0.8982%0.822SS**  trans-117.7153158.1-111.380.9000109.8
92P49.4Very low49.7Very low122 Ų122147.5 Ų147.579%0.79282%0.818SS**  trans-80.3157.3-164.531.7-36000114.5
93S41.9Very low49.8Very low108 Ų108146.8 Ų146.876%0.75582%0.82SS**  trans-73.9132.1-179.5-179.80000113.4
94Q50.7Low50.1Low190 Ų190145.9 Ų145.989%0.88882%0.82SS**  trans-134.4123.1149.4-73.1-163.2-0.300110.3
95K42Very low51.2Low194 Ų194154 Ų15484%0.84383%0.834SS**  trans-73.6149.4160.7-68.8-176.8175.3-176.40108.7
96P47Very low52.2Low118 Ų118150.6 Ų150.677%0.76683%0.829SS**  -143150.4108.735.4-22.1000115.8
97K47.1Very low53.3Low200 Ų200150.4 Ų150.487%0.8783%0.828SS**  trans46.191.3157.2-73.6-177.6172.81780118.4
98E44.7Very low53.8Low184 Ų184151.1 Ų151.186%0.8683%0.829SS**  trans-56.3129.5148.5-177.2-180170.100111.1
99Q51.6Low54.5Low182 Ų182152.9 Ų152.985%0.8583%0.828SS**  trans-117.3129.4160.7-93.8-171.1-38.900108.6R101Q99-R101 PolarHBondContact O-N 3.04Å
100Q50.1Low55.3Low192 Ų192156.8 Ų156.890%0.89783%0.829SS**  trans-62.9122.3-174.1-66.2170.8-33.100111.2
101R51.7Low56.3Low236 Ų236157.2 Ų157.289%0.89183%0.826SS**  trans-130.4105.1165.7-152.7168-172.2154.71.7108.6Q99 V103Q99-R101 PolarHBondContact O-N 3.04Å; R101-V103 PolarHBondContact O-N 3.19Å
102S60.9Low57Low110 Ų110155.1 Ų155.177%0.76982%0.822SS**  trans-63.3113-171.951.90000111.8L104S102-L104 PolarHBondContact O-N 3.29Å
103V60.6Low57.9Low126 Ų126157.4 Ų157.476%0.76482%0.823SS**  trans-78.3100.3172.3-178.10000108.9R101 R105R101-V103 PolarHBondContact O-N 3.19Å; V103-R105 PolarHBondContact O-N 3.1Å
104L63.5Low58.7Low160 Ų160157.9 Ų157.984%0.83882%0.823SS**PPolyproline II helixtrans-64.9116.7168.7-73.2166.1000109S102S102-L104 PolarHBondContact O-N 3.29Å
105R71.5Confident59.1Low222 Ų222158.4 Ų158.484%0.83882%0.822SS**PPolyproline II helixtrans-81.8141.5168.3-69.8-173.9173.995-3.7109.4V103V103-R105 PolarHBondContact O-N 3.1Å
106P67.3Low59.5Low124 Ų124154 Ų15481%0.80582%0.822SS**PPolyproline II helixtrans-57.8147.2169.4-23.134.1000111.6
107A67.5Low59.5Low94 Ų94156.5 Ų156.578%0.77783%0.828SS**PPolyproline II helixtrans-72.313217300000110.5L109A107-L109 PolarHBondContact O-N 2.94Å
108V68.7Low59.6Low141 Ų141152.7 Ų152.786%0.85583%0.827SS**  trans-79.8105.7170.6178.60000108Q110V108-Q110 PolarHBondContact O-N 2.78Å
109L61.6Low59.7Low167 Ų167152.2 Ų152.287%0.87482%0.824SS**  trans-74.8111172.1-85.3164.7000109.7A107A107-L109 PolarHBondContact O-N 2.94Å
110Q70.3Confident59.3Low178 Ų178150.1 Ų150.183%0.83282%0.824SS**PPolyproline II helixtrans-74.8126.7173.8-174.2173.71.100110V108V108-Q110 PolarHBondContact O-N 2.78Å
111A65.8Low59Low83 Ų83146.6 Ų146.669%0.68682%0.815SS**PPolyproline II helixtrans-67.9141.8179.400000111.9
112P62.2Low58.6Low126 Ų126140.8 Ų140.882%0.81881%0.809SS**PPolyproline II helixtrans-63.5139.5174.5-22.233.9000112.8
113Q69.3Low57.7Low171 Ų171140.5 Ų140.580%0.79981%0.806SS**PPolyproline II helixtrans-66.9129.4173.3-76.3-79.3-23.400111.1K115Q113-K115 PolarHBondContact O-N 3.5Å
114P58.9Low57.1Low117 Ų117141 Ų14176%0.7682%0.815SS**PPolyproline II helixtrans-72125175.629.6-33.1000110.3
115K59.2Low56.1Low202 Ų202136.6 Ų136.688%0.87881%0.809SS**PPolyproline II helixtrans-89.2130.1169.3-70.7-175.4177.6-179.50109.4Q113Q113-K115 PolarHBondContact O-N 3.5Å
116A51Low55.1Low102 Ų102131.9 Ų131.984%0.84381%0.805SS**PPolyproline II helixtrans-61.6140.3-179.500000111.9
117L47Very low53.8Low169 Ų169133.7 Ų133.789%0.88581%0.808SS**PPolyproline II helixtrans-89.1117178.3-168.876.1000109.8
118S49.1Very low52.6Low120 Ų120133.1 Ų133.184%0.83981%0.811SS**PPolyproline II helixtrans-77.7129.5170-59.60000110.4
119Q46.2Very low51.2Low174 Ų174133.1 Ų133.181%0.81381%0.811SS**PPolyproline II helixtrans-90.7128.9-167.8-178.5-174.270.300112.2
120T43Very low50.3Low139 Ų139130.9 Ų130.985%0.85381%0.809SS**  trans-152128.6158.8-600000108.9
121V43.2Very low49Very low117 Ų117130.5 Ų130.571%0.70981%0.812SS**  trans-134.2137-179.1-178.70000107.5
122P43.3Very low48.7Very low115 Ų115132.5 Ų132.575%0.74782%0.818SS**  -141.7119.9123.631.5-15000114.3
123S43.6Very low47.7Very low103 Ų103130.6 Ų130.672%0.7281%0.813SS**  33.5111.8126.9-46.80000120.7
124S46.8Very low46.4Very low136 Ų136129.6 Ų129.695%0.95181%0.813SS**  trans-166.2158.4137.1-80.20000109.2
125G43.2Very low45.6Very low68 Ų68129.9 Ų129.970%0.70182%0.816SS**  trans-145.3-149-168.600000115.7
126T50.3Low44.7Very low124 Ų124127 Ų12776%0.76182%0.816SS**  trans62.7103.7177.1177.70000119.3
127N39.4Very low44.5Very low162 Ų162125.9 Ų125.987%0.86681%0.814SS**  trans52.6123.6134.7-54.2-47.9000121.3
128G41.9Very low44.2Very low81 Ų81122.7 Ų122.784%0.83581%0.812SS**  trans-178.6115.3161.500000113.6
129V40.6Very low43.8Very low141 Ų141123.5 Ų123.586%0.85581%0.812SS**  trans-82.7138172.3166.40000110
130S42.5Very low44Very low120 Ų120120.8 Ų120.884%0.83981%0.809SS**  trans-157.5131.1161.5-77.50000111.8
131L43Very low43.8Very low171 Ų171118.6 Ų118.690%0.89581%0.805SS**  trans-93.5144.9166.8-73.4161.1000109.6
132P58.6Low43.9Very low125 Ų125117.8 Ų117.881%0.81281%0.81SS**  trans-96.9151.5154.335.2-28.7000111.1
133A42.2Very low44Very low86 Ų86117.8 Ų117.871%0.71181%0.813SS**  trans-126.5178.9-17800000112.4
134D41Very low44.4Very low150 Ų150118 Ų11880%0.80281%0.813SS**  trans68.9120.2163.5-62-39.5000120.8
135C43.5Very low44.2Very low123 Ų123118 Ų11883%0.83180%0.801SS**  -166.694.7116.5-95.30000112.6
136T39.1Very low44.1Very low142 Ų142120.7 Ų120.787%0.87181%0.805SS**  trans24.5130.9143.350.70000122.4
137G46.4Very low43.7Very low77 Ų77119 Ų11979%0.79480%0.804SS**  trans-161.316.9-179.900000122.5
138A41.1Very low43.4Very low103 Ų103115.1 Ų115.185%0.85179%0.794SS**  trans65.6154.5169.700000120.6
139V41.9Very low43.3Very low137 Ų137123.1 Ų123.183%0.8380%0.799SS**  trans-164.7161.9-157.3152.50000108
140P49.2Very low43.1Very low117 Ų117127.8 Ų127.876%0.7680%0.801SS**  cis-128.5-170.82.443.6-28.1000115.4
141A39.9Very low42.9Very low93 Ų93127.3 Ų127.377%0.76980%0.798SS**  170.2151.511300000116.2
142A44.9Very low43.2Very low99 Ų99125 Ų12582%0.81879%0.793SS**  trans77.1152.7170.400000119.3
143S44.3Very low42Very low115 Ų115124.7 Ų124.780%0.80479%0.794SS**  trans-156-161.9-158.5-53.70000111.4
144P53Low42.1Very low109 Ų109130 Ų13071%0.70880%0.804SS**  -127.2-177.4-73.239-23.1000113.7
145D42.7Very low42Very low134 Ų134127.1 Ų127.172%0.71780%0.801SS**  trans165.7117.5132.5-95.6-36.6000112
146T40.1Very low41.9Very low125 Ų125125.4 Ų125.477%0.76780%0.795SS**  73.7145.981.963.90000116.4
147A41.4Very low42Very low90 Ų90126 Ų12674%0.74479%0.793SS**  cis-173174.4-19.900000110.7
148A34.8Very low41.6Very low79 Ų79130 Ų13065%0.65379%0.791SS**  cis-175.296.4-47.200000110.8
149W38.9Very low41.6Very low249 Ų249130.3 Ų130.394%0.94378%0.782SS**  trans-131.9107.2178.6-62.788.1000109.9
150R36.3Very low41.3Very low239 Ų239129.6 Ų129.690%0.90278%0.782SS**  73.8111.859.5-76-142.5-172.3-159.36.8115.9
151S37.9Very low40.5Very low110 Ų110127.5 Ų127.577%0.76977%0.774SS**  trans-101.2163.1154.9-48.90000110.4
152P49.7Very low40.5Very low124 Ų124130.2 Ų130.281%0.80578%0.775SS**  trans-102.2157.4160.512.38.3000112.2
153S34.7Very low40.1Very low117 Ų117133.4 Ų133.482%0.81877%0.773SS**  trans-157.3122.7172-56.20000110.9
154E43.6Very low39.6Very low199 Ų199136 Ų13693%0.9377%0.772SS**  trans-154.7153.9173.3-66-175.2119.600107.7
155A39.8Very low38.8Very low88 Ų88140.2 Ų140.273%0.72778%0.78SS**  cis-172.5148.6-27.300000108.3
156A41.5Very low38.4Very low87 Ų87141 Ų14172%0.71978%0.779SS**  trans61.5164.7169.300000117.2
157D39.3Very low38.2Very low156 Ų156140 Ų14083%0.83478%0.775SS**  cis-166.8175.5-33.1-91.2-34.6000106.8
158E39.5Very low37.8Very low160 Ų160143 Ų14375%0.74877%0.773SS**  cis-151.8142.710.7-141.7-156.9123.700111.5
159V39.7Very low38Very low110 Ų110148.4 Ų148.467%0.66778%0.782SS**  trans53.5127.3134.8164.60000124.6
160C36.2Very low37.7Very low121 Ų121141.8 Ų141.882%0.81877%0.765SS**  trans67.1162.3152.5-78.90000122
161A32Very low37.7Very low73 Ų73138.4 Ų138.460%0.60376%0.76SS**  cis179.6169.1-34.200000110
162L40.7Very low37.7Very low150 Ų150138 Ų13879%0.78576%0.757SS**  trans71153165.4-54.6175.5000117.8
163E36.7Very low37.1Very low167 Ų167136.5 Ų136.578%0.7875%0.75SS**  cis-161.6-174.4-40.4-129.6171.9-156.800111
164E32.5Very low36.8Very low168 Ų168138.8 Ų138.879%0.78575%0.753SS**  trans-51.7147-168.9-47.4175.1121.600118.7
165K37Very low36.4Very low198 Ų198134.2 Ų134.286%0.86175%0.749SS**  179.5140107.9-103.6174.6178.4170.30117.5
166E34Very low36.1Very low150 Ų150135.2 Ų135.270%0.70175%0.751SS**  trans-91.7173.2154-139.2-147.9119.200109.4Q168E166-Q168 PolarHBondContact OE1-N 2.75Å
167P35.9Very low36.1Very low106 Ų106140.6 Ų140.669%0.68876%0.761SS**  -154.515763.141.3-19.5000120
168Q34Very low35.8Very low151 Ų151142.3 Ų142.371%0.70676%0.764SS**  trans39.9130.3135.3-59179.9-27.100122.5E166E166-Q168 PolarHBondContact OE1-N 2.75Å
169K38.3Very low35.7Very low193 Ų193144.2 Ų144.284%0.83977%0.773SS**  -173.1120.8110-108.4-178.1177-175.60117.4
170N32.4Very low35.4Very low110 Ų110143.7 Ų143.759%0.58878%0.78SS**  trans34.9130.7130.5-67.444.6000124.5
171E35.6Very low35.3Very low169 Ų169143.9 Ų143.979%0.7978%0.781SS**  trans71.8147.1130.2-68.3173.6116.600119.8
172S38.4Very low35.2Very low100 Ų100148.8 Ų148.870%0.69979%0.791SS**  cis-159.2160.92.641.20000114.3
173S36.9Very low34.9Very low94 Ų94150.6 Ų150.666%0.65779%0.793SS**  trans52.3115.1144.566.30000123.9
174N29.8Very low34.8Very low165 Ų165152.4 Ų152.488%0.88280%0.798SS**  65.2161.7121.2-66.4-15.4000123.6
175A34.6Very low35Very low102 Ų102151.8 Ų151.884%0.84380%0.8SS**  trans98.9115.9164.700000116.8
176S32.9Very low35.1Very low110 Ų110147.2 Ų147.277%0.76979%0.791SS**  trans-63.6154.8169.648.30000114
177E41.1Very low35Very low199 Ų199145.1 Ų145.193%0.9380%0.799SS**  -156.9157.8127.4-113.3156.4-149.400111.1
178E33.2Very low35.2Very low192 Ų192145.7 Ų145.790%0.89780%0.801SS**  trans-96.2136.6179.5-58.1-179.8129.800110.2
179E38.6Very low35.6Very low201 Ų201147.4 Ų147.494%0.93981%0.809SS**  trans-154.4150.2149.4-96.1-122.8112.400110
180A32.8Very low36.1Very low98 Ų98147.4 Ų147.481%0.8181%0.812SS**  trans-112.7128.3-177.500000110.7
181C33.3Very low36.9Very low126 Ų126146.2 Ų146.285%0.85182%0.818SS**  trans-137.8124.5170.6-1580000114
182E31.5Very low37.9Very low175 Ų175145.8 Ų145.882%0.81881%0.813SS**  trans-8.9123.9170.1-53.8-164.897.300121.9
183K33.4Very low39.6Very low188 Ų188145 Ų14582%0.81780%0.804SS**  trans19.4116.3131.9-69.9177.5174.9173.80118.5
184K35.8Very low40.5Very low206 Ų206149.6 Ų149.690%0.89681%0.812SS**  trans-151.9103.9144.7-127.8168.5-172.6167.40111.3P186K184-P186 VanDerWaalsContact O-CD 3.28Å; K184-P186 WeakPolarHBondContact O-CD 3.26Å
185D34.9Very low42.3Very low154 Ų154144.3 Ų144.382%0.82480%0.797SS**  trans-71.9120.7177.1-68.6-80.6000111.9
186P39Very low44.2Very low103 Ų103145 Ų14567%0.66978%0.783SS**  trans-80.9121.6159.232.4-29.1000108.8K184 T188K184-P186 VanDerWaalsContact O-CD 3.28Å; K184-P186 WeakPolarHBondContact O-CD 3.26Å; P186-T188 PolarHBondContact O-N 2.94Å; P186-T188 PolarHBondContact O-OG1 3.09Å
187A33.1Very low45.7Very low105 Ų105144.5 Ų144.587%0.86877%0.771SS**  trans-60.194-17600000112.3Q189A187-Q189 PolarHBondContact O-N 2.78Å
188T40.5Very low47Very low118 Ų118140.7 Ų140.772%0.72476%0.757SS**  trans-80.9119.6-178-59.90000109.5P186 Q190P186-T188 PolarHBondContact O-N 2.94Å; P186-T188 PolarHBondContact O-OG1 3.09Å; T188-Q190 PolarHBondContact O-N 3.28Å; T188-Q190 VanDerWaalsContact O-N 3.1Å
189Q41.6Very low48.7Very low187 Ų187142.3 Ų142.387%0.87476%0.755SS**  trans-61.7112.2-179.9-67175.6-13.700110.2A187 A191A187-Q189 PolarHBondContact O-N 2.78Å; Q189-A191 PolarHBondContact O-N 3.15Å
190Q49Very low50Low193 Ų193138.6 Ų138.690%0.90274%0.742SS**  trans-71.398.4179.8-69-171.72.600110.7T188 F192T188-Q190 PolarHBondContact O-N 3.28Å; T188-Q190 VanDerWaalsContact O-N 3.1Å; Q190-F192 PolarHBondContact O-N 3.4Å
191A48.5Very low51.5Low86 Ų86141.8 Ų141.871%0.71173%0.733SS**  trans-61.6124.8172.200000110.5Q189 V193Q189-A191 PolarHBondContact O-N 3.15Å; A191-V193 PolarHBondContact O-N 2.94Å; A191-V193 VanDerWaalsContact O-N 3.13Å
192F57.9Low52.7Low159 Ų159140.1 Ų140.170%0.69772%0.718SS**  trans-73.2104.7-178.1-179.4-90.2000111.1Q190 F194Q190-F192 PolarHBondContact O-N 3.4Å; F192-F194 HydrophobicContact CE1-CB 4.25Å; F192-F194 HydrophobicContact CE1-CD2 4.38Å
193V72.6Confident53.8Low83 Ų83141.1 Ų141.150%0.50372%0.72SS.*  trans-98.8113.6172.5-179.10000109.7A191 G195 Q196A191-V193 PolarHBondContact O-N 2.94Å; A191-V193 VanDerWaalsContact O-N 3.13Å; V193-G195 PolarHBondContact O-N 3.16Å; V193-Q196 HydrophobicContact CB-CB 4.06Å; V193-Q196 HydrophobicContact CG1-CB 4.29Å; V193-Q196 WeakPolarHBondContact O-CB 3.49Å; V193-Q196 PolarHBondContact O-N 3.45Å
194F55.5Low54.3Low191 Ų191138.5 Ų138.584%0.83871%0.714SS**THydrogen-bonded Turntrans-63.7118.2179.8-177.5-93.5000111.1F192F192-F194 HydrophobicContact CE1-CB 4.25Å; F192-F194 HydrophobicContact CE1-CD2 4.38Å
195G68.4Low54.7Low54 Ų54136.5 Ų136.556%0.55771%0.712SS**THydrogen-bonded Turntrans99.9-10.9-178.300000115.4V193V193-G195 PolarHBondContact O-N 3.16Å
196Q74.7Confident54.7Low116 Ų116135.4 Ų135.454%0.54271%0.706SS.*THydrogen-bonded Turntrans-66.2148.4171.8-154.987.945.100110.6V193 L198V193-Q196 HydrophobicContact CB-CB 4.06Å; V193-Q196 HydrophobicContact CG1-CB 4.29Å; V193-Q196 WeakPolarHBondContact O-CB 3.49Å; V193-Q196 PolarHBondContact O-N 3.45Å; Q196-L198 PolarHBondContact O-N 3.46Å; Q196-L198 VanDerWaalsContact O-N 3.14Å
197N64Low54.9Low100 Ų100139.1 Ų139.154%0.53571%0.714SS.*THydrogen-bonded Turntrans55.331.2173.1-58.1-1.4000114.6R199 D200 R201N197-R199 PolarHBondContact O-N 3.09Å; N197-D200 WeakPolarHBondContact CA-OD2 3.37Å; N197-D200 HydrophobicContact CB-CB 4.45Å; N197-D200 VanDerWaalsContact CB-OD2 3.24Å; N197-D200 WeakPolarHBondContact CB-OD2 3.02Å; N197-D200 PolarHBondContact O-N 2.91Å; N197-R201 WeakPolarHBondContact O-CG 3.29Å; N197-R201 PolarHBondContact O-N 2.94Å
198L67.9Low55.4Low119 Ų119139.3 Ų139.362%0.62371%0.709SS**Hα-helixtrans-62.1-31.2-179.1-164.671000112.3Q196 V202Q196-L198 PolarHBondContact O-N 3.46Å; Q196-L198 VanDerWaalsContact O-N 3.14Å; L198-V202 WeakPolarHBondContact O-CG2 3.05Å; L198-V202 PolarHBondContact O-N 3.15Å
199R70.1Confident55.2Low227 Ų227140.2 Ų140.286%0.85771%0.714SS**Hα-helixtrans-66.6-43.8177.7-57178.5-167.7162.44.4111.1N197 R201 V202N197-R199 PolarHBondContact O-N 3.09Å; R199-R201 PolarHBondContact O-N 3.42Å; R199-V202 PolarHBondContact O-N 3.1Å
200D65.6Low55.2Low123 Ų123139 Ų13966%0.65871%0.713SS**Hα-helixtrans-74.2-18.1-176.3-37.3-72000112.2N197N197-D200 WeakPolarHBondContact CA-OD2 3.37Å; N197-D200 HydrophobicContact CB-CB 4.45Å; N197-D200 VanDerWaalsContact CB-OD2 3.24Å; N197-D200 WeakPolarHBondContact CB-OD2 3.02Å; N197-D200 PolarHBondContact O-N 2.91Å
201R63.7Low54.7Low165 Ų165139 Ų13962%0.62371%0.714SS**Hα-helixtrans-97.3-15.1178.4-62.1177.687.1171.58.9113.6N197 R199 K203N197-R201 WeakPolarHBondContact O-CG 3.29Å; N197-R201 PolarHBondContact O-N 2.94Å; R199-R201 PolarHBondContact O-N 3.42Å; R201-K203 PolarHBondContact O-N 3.16Å
202V59.9Low54.3Low91 Ų91139.7 Ų139.755%0.55272%0.72SS**  trans-94.879.3173.3177.70000108.8L198 R199 L204L198-V202 WeakPolarHBondContact O-CG2 3.05Å; L198-V202 PolarHBondContact O-N 3.15Å; R199-V202 PolarHBondContact O-N 3.1Å; V202-L204 PolarHBondContact O-N 2.8Å
203K54.1Low53.3Low195 Ų195140 Ų14085%0.84873%0.728SS**  trans-76.288172.9-161.7177.9-173-175.30109.3R201 I205R201-K203 PolarHBondContact O-N 3.16Å; K203-I205 PolarHBondContact O-N 2.99Å
204L44.5Very low52.2Low133 Ų133145.1 Ų145.170%0.69675%0.749SS**  trans-71.2110.6-178.7-158.981.4000110.1V202 N206V202-L204 PolarHBondContact O-N 2.8Å; L204-N206 HydrophobicContact CD2-CB 4.06Å; L204-N206 HydrophobicContact CG-CB 4.22Å; L204-N206 PolarHBondContact O-N 2.53Å
205I42.2Very low51.4Low165 Ų165145 Ų14585%0.84675%0.751SS**  trans-82.1107.4173.2-57.9171.3000106.9K203K203-I205 PolarHBondContact O-N 2.99Å
206N36.6Very low49.8Very low130 Ų130150.4 Ų150.470%0.69577%0.767SS**  trans-155.255.5-170.5-154.896.7000113.6L204L204-N206 HydrophobicContact CD2-CB 4.06Å; L204-N206 HydrophobicContact CG-CB 4.22Å; L204-N206 PolarHBondContact O-N 2.53Å
207E42.5Very low48Very low181 Ų181149.4 Ų149.485%0.84678%0.779SS**  trans-118106.6170.4-71.5176.2137.900106.2
208S42.6Very low46.5Very low110 Ų110148.3 Ų148.377%0.76979%0.791SS**  72.4110.680.669.10000112.8
209V36.4Very low45Very low137 Ų137151.6 Ų151.683%0.8380%0.803SS**  trans-71.6133.8179176.50000110.7
210D42.1Very low43.6Very low160 Ų160146.1 Ų146.186%0.85680%0.796SS**  trans-166.6164.7137.5-96.6-31.5000110.5
211E38.6Very low42Very low194 Ų194145.3 Ų145.391%0.90780%0.801SS**  trans-91.3142.2-168.5-54.7178.1134.800114.1
212A40.6Very low40.6Very low101 Ų101141.7 Ų141.784%0.83581%0.806SS**  trans-178.5147.8140.600000112.6
213D36.5Very low39.4Very low165 Ų165144.8 Ų144.888%0.88282%0.819SS**  trans-71140.6171-62.7-72.1000113.1
214M50.5Low38.7Very low191 Ų191141.7 Ų141.794%0.94182%0.817SS**  -164.5147.7113-130.1-174.7170.100113.8
215E37.2Very low38.6Very low187 Ų187141.4 Ų141.487%0.87482%0.823SS**  trans-80.4133.7176.2-54.4173.9113.900112.2
216N36.7Very low38.6Very low169 Ų169139.2 Ų139.290%0.90482%0.818SS**  trans-156.6150.7143.3-144.9-26.2000112.2
217A35.3Very low39.1Very low95 Ų95137.5 Ų137.579%0.78582%0.822SS**  trans-101.8141.7-175.800000112.3
218G33.7Very low39.5Very low76 Ų76132 Ų13278%0.78480%0.8SS**  trans-172.184.5178.900000114.8
219H36.3Very low40.2Very low189 Ų189131.6 Ų131.688%0.87579%0.79SS**  trans-71.3145.4158.2-94.9-70.5000109.7
220P39.7Very low41.5Very low111 Ų111134.7 Ų134.772%0.72179%0.788SS**  -142.1170.5100.438.1-24.7000115.5
221S33Very low42.2Very low107 Ų107134.6 Ų134.675%0.74878%0.78SS**  trans6.1124.5154.6-49.20000118.8
222A33.4Very low43.6Very low88 Ų88130.7 Ų130.773%0.72777%0.765SS**  75.915261.500000114.5
223D35.3Very low44.7Very low156 Ų156130.7 Ų130.783%0.83475%0.748SS**  trans6982.6177.8-58.2-26.2000118.7
224T39.9Very low45.9Very low131 Ų131129.8 Ų129.880%0.80473%0.733SS**  trans-156.3133.1140.7-0.70000110T226T224-T226 PolarHBondContact O-N 3.07Å
225P41.1Very low46.7Very low126 Ų126125.2 Ų125.282%0.81871%0.711SS**  trans-72.9117.4-173.527.7-33.9000111.6A227P225-A227 PolarHBondContact O-N 3.14Å; P225-A227 VanDerWaalsContact O-N 3.14Å
226T41.9Very low47.8Very low120 Ų120119.9 Ų119.974%0.73669%0.694SS**  trans-68.2111.8177.9-61.10000110.2T224 T228T224-T226 PolarHBondContact O-N 3.07Å; T226-T228 WeakPolarHBondContact CG2-OG1 3.49Å; T226-T228 PolarHBondContact O-N 3.07Å; T226-T228 PolarHBondContact O-OG1 3.38Å; T226-T228 VanDerWaalsContact O-OG1 3.1Å
227A47.4Very low48.7Very low94 Ų94115.6 Ų115.678%0.77768%0.678SS**  trans-72.371.2175.100000110.9P225 N229P225-A227 PolarHBondContact O-N 3.14Å; P225-A227 VanDerWaalsContact O-N 3.14Å; A227-N229 PolarHBondContact O-N 3.3Å
228T52.4Low49.8Very low65 Ų65114.5 Ų114.540%0.39966%0.664SS.*  trans-69.4118.3-166.7-50.20000111.5T226 Y230 Q233T226-T228 WeakPolarHBondContact CG2-OG1 3.49Å; T226-T228 PolarHBondContact O-N 3.07Å; T226-T228 PolarHBondContact O-OG1 3.38Å; T226-T228 VanDerWaalsContact O-OG1 3.1Å; T228-Y230 PolarHBondContact O-N 3.11Å; T228-Y230 VanDerWaalsContact O-N 3.14Å; T228-Q233 HydrophobicContact CG2-CB 3.92Å; T228-Q233 HydrophobicContact CG2-CG 4.36Å
229N56.8Low50.8Low102 Ų102117.7 Ų117.755%0.54566%0.663SS.*  trans-70.2106.5165.9-103-78.4000108.7A227 F231 L232 Q233A227-N229 PolarHBondContact O-N 3.3Å; N229-F231 PolarHBondContact O-N 3.37Å; N229-L232 HydrophobicContact CB-CD1 4.2Å; N229-L232 HydrophobicContact CB-CG 4.34Å; N229-L232 PolarHBondContact O-N 3.24Å; N229-Q233 PolarHBondContact O-N 3.47Å
230Y63.5Low51.6Low201 Ų201116.9 Ų116.979%0.78866%0.659SS**Hα-helixtrans-46.3-34.6178.9-75.6-90.3000113.7T228 Q233 Y234T228-Y230 PolarHBondContact O-N 3.11Å; T228-Y230 VanDerWaalsContact O-N 3.14Å; Y230-Q233 PolarHBondContact O-N 3.08Å; Y230-Y234 PolarHBondContact O-N 3.02Å
231F57.1Low51.9Low159 Ų159118.2 Ų118.270%0.69766%0.661SS**Hα-helixtrans-63.3-38.8177.4-170.5-97.3000113.6N229 I235N229-F231 PolarHBondContact O-N 3.37Å; F231-I235 HydrophobicContact CD1-CD1 4.11Å; F231-I235 HydrophobicContact CE1-CD1 3.75Å; F231-I235 HydrophobicContact CZ-CD1 4.35Å
232L68.3Low52.1Low112 Ų112118.1 Ų118.159%0.58666%0.66SS**Hα-helixtrans-75.3-40.2177.6-68.8174.3000111.3N229 Y234 I235 S236N229-L232 HydrophobicContact CB-CD1 4.2Å; N229-L232 HydrophobicContact CB-CG 4.34Å; N229-L232 PolarHBondContact O-N 3.24Å; L232-Y234 VanDerWaalsContact C-N 3.28Å; L232-Y234 PolarHBondContact O-N 3.14Å; L232-I235 PolarHBondContact O-N 2.72Å; L232-S236 PolarHBondContact O-N 3.09Å; L232-S236 VanDerWaalsContact O-N 3.08Å; L232-S236 PolarHBondContact O-OG 2.86Å
233Q62.7Low52.4Low101 Ų101119 Ų11947%0.47266%0.656SS.*Hα-helixtrans-58.3-41178.7-168.3171.511.500111.7T228 N229 Y230 I235 S236 S237T228-Q233 HydrophobicContact CG2-CB 3.92Å; T228-Q233 HydrophobicContact CG2-CG 4.36Å; N229-Q233 PolarHBondContact O-N 3.47Å; Y230-Q233 PolarHBondContact O-N 3.08Å; Q233-I235 VanDerWaalsContact C-N 3.32Å; Q233-I235 PolarHBondContact O-N 3.11Å; Q233-S236 PolarHBondContact O-N 2.91Å; Q233-S237 WeakPolarHBondContact O-CB 3.43Å; Q233-S237 PolarHBondContact O-N 2.89Å; Q233-S237 PolarHBondContact O-OG 2.9Å; Q233-S237 VanDerWaalsContact O-OG 3.08Å
234Y61Low52.7Low146 Ų146118.8 Ų118.857%0.57366%0.655SS**Hα-helixtrans-62.4-35.6175.7-171.8-95.7000113.6Y230 L232 S238Y230-Y234 PolarHBondContact O-N 3.02Å; L232-Y234 VanDerWaalsContact C-N 3.28Å; L232-Y234 PolarHBondContact O-N 3.14Å; Y234-S238 PolarHBondContact O-N 3.43Å
235I67.3Low52.5Low94 Ų94118.7 Ų118.748%0.48266%0.66SS.*Hα-helixtrans-71.2-46.4178.9-65.1170.1000110.2F231 L232 Q233 S237 S238F231-I235 HydrophobicContact CD1-CD1 4.11Å; F231-I235 HydrophobicContact CE1-CD1 3.75Å; F231-I235 HydrophobicContact CZ-CD1 4.35Å; L232-I235 PolarHBondContact O-N 2.72Å; Q233-I235 VanDerWaalsContact C-N 3.32Å; Q233-I235 PolarHBondContact O-N 3.11Å; I235-S237 PolarHBondContact O-N 3.1Å; I235-S238 PolarHBondContact O-N 3.5Å; I235-S238 VanDerWaalsContact O-N 3.09Å
236S61.7Low52.2Low75 Ų75116.4 Ų116.452%0.52465%0.651SS.*Hα-helixtrans-58.3-47.7174.9-59.10000111.8L232 Q233 S238 L239L232-S236 PolarHBondContact O-N 3.09Å; L232-S236 VanDerWaalsContact O-N 3.08Å; L232-S236 PolarHBondContact O-OG 2.86Å; Q233-S236 PolarHBondContact O-N 2.91Å; S236-S238 PolarHBondContact O-N 3.49Å; S236-L239 PolarHBondContact O-N 2.91Å
237S56Low51.9Low79 Ų79118.6 Ų118.655%0.55266%0.658SS**THydrogen-bonded Turntrans-63.3-12.5176.9-60.70000114.5Q233 I235Q233-S237 WeakPolarHBondContact O-CB 3.43Å; Q233-S237 PolarHBondContact O-N 2.89Å; Q233-S237 PolarHBondContact O-OG 2.9Å; Q233-S237 VanDerWaalsContact O-OG 3.08Å; I235-S237 PolarHBondContact O-N 3.1Å
238S57.5Low51.4Low73 Ų73118 Ų11851%0.5165%0.654SS.*THydrogen-bonded Turntrans-92.4-10178.5-169.60000114.1Y234 I235 S236Y234-S238 PolarHBondContact O-N 3.43Å; I235-S238 PolarHBondContact O-N 3.5Å; I235-S238 VanDerWaalsContact O-N 3.09Å; S236-S238 PolarHBondContact O-N 3.49Å
239L55Low51Low142 Ų142120.6 Ų120.674%0.74368%0.675SS**THydrogen-bonded Turntrans-95.9-31.4-171.5-164.561.6000113.3S236S236-L239 PolarHBondContact O-N 2.91Å
240E53.5Low50.4Low172 Ų172121 Ų12180%0.80469%0.686SS**SBendtrans-88-14.7-169.1-60.2179.8159.400113.8S242E240-S242 VanDerWaalsContact C-N 3.27Å; E240-S242 PolarHBondContact O-N 3.43Å; E240-S242 VanDerWaalsContact O-N 3.11Å
241N44.7Very low50Low140 Ų140119.5 Ų119.575%0.74969%0.691SS**  trans-87.925.2-165.8-136.4107.3000115T243N241-T243 PolarHBondContact O-N 3Å
242S37.9Very low50.3Low105 Ų105119.5 Ų119.573%0.73469%0.691SS**  trans-94.424.9-167.9-60.10000115.2E240E240-S242 VanDerWaalsContact C-N 3.27Å; E240-S242 PolarHBondContact O-N 3.43Å; E240-S242 VanDerWaalsContact O-N 3.11Å
243T38.7Very low50.4Low106 Ų106120.6 Ų120.665%0.6569%0.691SS**SBendtrans-140.8148.8166.855.60000112.2N241N241-T243 PolarHBondContact O-N 3Å
244N41.8Very low51.2Low152 Ų152119.1 Ų119.181%0.81369%0.689SS**  trans80.9127165.6-53.7-53.8000120.4
245S37.1Very low51.9Low128 Ų128120.6 Ų120.690%0.89570%0.699SS**  trans72.3148.9154.5-1520000120.4
246A34.2Very low52.3Low78 Ų78118 Ų11865%0.64570%0.695SS**  trans-97.6-176.3171.400000111.6
247D35.2Very low53.3Low166 Ų166119.7 Ų119.789%0.88870%0.695SS**  trans77.4155.4174.5-66-35.3000119.4
248A37.1Very low54.2Low83 Ų83119.4 Ų119.469%0.68669%0.687SS**SBendtrans63.478.7170.100000119.4S250A248-S250 PolarHBondContact O-N 3.47Å
249S44.7Very low55Low119 Ų119120.9 Ų120.983%0.83269%0.687SS**  49.953.8128.863.50000119.5
250S43.5Very low56Low111 Ų111117.8 Ų117.878%0.77668%0.677SS**  trans-92.1103.4166.850.70000112A248 K252A248-S250 PolarHBondContact O-N 3.47Å; S250-K252 VanDerWaalsContact C-N 3.32Å; S250-K252 PolarHBondContact O-N 3.25Å
251N56.1Low56.8Low168 Ų168115.2 Ų115.290%0.89867%0.665SS**  trans-71.581.4179-80.6-21.8000112F253N251-F253 PolarHBondContact O-N 2.85Å; N251-F253 VanDerWaalsContact O-N 3.07Å
252K63.1Low58Low159 Ų159113.8 Ų113.869%0.69165%0.65SS**  trans-63.7105.8-179.1-159.6166.2-171.8169.70110.6S250 V254S250-K252 VanDerWaalsContact C-N 3.32Å; S250-K252 PolarHBondContact O-N 3.25Å; K252-V254 PolarHBondContact O-N 3.33Å
253F70.5Confident59.3Low136 Ų136114.4 Ų114.460%0.59665%0.649SS**  trans-64.3109.6-180-177.7-81.4000110.6N251 F255N251-F253 PolarHBondContact O-N 2.85Å; N251-F253 VanDerWaalsContact O-N 3.07Å; F253-F255 HydrophobicContact CE1-CB 4.18Å; F253-F255 HydrophobicContact CE1-CD2 4.48Å
254V79.7Confident60.6Low69 Ų69115.2 Ų115.242%0.41865%0.648SS.*  trans-101.5128.7166.2179.60000108.6K252 G256 Q257 R262K252-V254 PolarHBondContact O-N 3.33Å; V254-G256 PolarHBondContact O-N 3.12Å; V254-Q257 HydrophobicContact CB-CB 3.86Å; V254-Q257 HydrophobicContact CG1-CB 4.08Å; V254-Q257 PolarHBondContact O-N 3.41Å; V254-R262 PolarHBondContact O-NH2 2.98Å
255F74Confident61Low178 Ų178111.8 Ų111.878%0.78164%0.636SS**THydrogen-bonded Turntrans-70.1123.4173.2-175.8-98.2000109.5F253F253-F255 HydrophobicContact CE1-CB 4.18Å; F253-F255 HydrophobicContact CE1-CD2 4.48Å
256G76.9Confident61.7Low40 Ų40111.1 Ų111.141%0.41263%0.629SS.*THydrogen-bonded Turntrans98.9-25.4-175.500000115.6V254V254-G256 PolarHBondContact O-N 3.12Å
257Q81.5Confident62.7Low109 Ų109113.6 Ų113.651%0.50964%0.638SS.*THydrogen-bonded Turntrans-73.7152.4176.7-165.6165.311.900111.3V254 M259 R262V254-Q257 HydrophobicContact CB-CB 3.86Å; V254-Q257 HydrophobicContact CG1-CB 4.08Å; V254-Q257 PolarHBondContact O-N 3.41Å; Q257-M259 PolarHBondContact O-N 3.02Å; Q257-R262 PolarHBondContact O-NE 2.81Å; Q257-R262 PolarHBondContact O-NH2 2.84Å
258N74.5Confident63Low74 Ų74115 Ų11540%0.39664%0.636SS.*THydrogen-bonded Turntrans40.141.2176.1-6323.8000115S260 E261 R262N258-S260 VanDerWaalsContact C-N 3.31Å; N258-S260 PolarHBondContact O-N 3.48Å; N258-E261 HydrophobicContact CB-CB 4.42Å; N258-E261 WeakPolarHBondContact CB-OE2 3.43Å; N258-E261 PolarHBondContact ND2-OE2 2.92Å; N258-R262 WeakPolarHBondContact O-CB 3.38Å; N258-R262 WeakPolarHBondContact O-CG 3.36Å; N258-R262 PolarHBondContact O-N 3.27Å; N258-R262 VanDerWaalsContact O-N 3.15Å
259M76.3Confident63.2Low103 Ų103118.6 Ų118.651%0.50764%0.643SS.*Hα-helixtrans-64.3-36.2177.9-80.9178.8151.900111.9Q257 V263Q257-M259 PolarHBondContact O-N 3.02Å; M259-V263 VanDerWaalsContact O-CB 3.23Å; M259-V263 WeakPolarHBondContact O-CB 3.43Å; M259-V263 VanDerWaalsContact O-CG2 3.22Å; M259-V263 WeakPolarHBondContact O-CG2 3.29Å; M259-V263 PolarHBondContact O-N 3.39Å
260S75.3Confident62.9Low78 Ų78119.9 Ų119.955%0.54564%0.641SS.*Hα-helixtrans-56.8-52.617542.70000112.5N258 L264N258-S260 VanDerWaalsContact C-N 3.31Å; N258-S260 PolarHBondContact O-N 3.48Å; S260-L264 VanDerWaalsContact O-CB 3.28Å; S260-L264 WeakPolarHBondContact O-CB 3.21Å; S260-L264 VanDerWaalsContact O-CG 3.3Å; S260-L264 WeakPolarHBondContact O-CG 3.17Å; S260-L264 PolarHBondContact O-N 2.99Å
261E69.1Low62.8Low117 Ų117123.6 Ų123.655%0.54765%0.646SS.*Hα-helixtrans-64.4-45.1-179.5-63.2170.8-177.200111.7N258 S265N258-E261 HydrophobicContact CB-CB 4.42Å; N258-E261 WeakPolarHBondContact CB-OE2 3.43Å; N258-E261 PolarHBondContact ND2-OE2 2.92Å; E261-S265 WeakPolarHBondContact O-CB 3.33Å; E261-S265 PolarHBondContact O-N 3.48Å
262R70.3Confident62.3Low111 Ų111121.8 Ų121.842%0.41964%0.641SS.*Hα-helixtrans-78-18.2-173.5-64.3-170.7-68.8-179.45.9114.7V254 Q257 N258V254-R262 PolarHBondContact O-NH2 2.98Å; Q257-R262 PolarHBondContact O-NE 2.81Å; Q257-R262 PolarHBondContact O-NH2 2.84Å; N258-R262 WeakPolarHBondContact O-CB 3.38Å; N258-R262 WeakPolarHBondContact O-CG 3.36Å; N258-R262 PolarHBondContact O-N 3.27Å; N258-R262 VanDerWaalsContact O-N 3.15Å
263V66.8Low61.3Low118 Ų118119.1 Ų119.172%0.71564%0.642SS**Hα-helixtrans-102.2-26.2179.9177.40000112.4M259M259-V263 VanDerWaalsContact O-CB 3.23Å; M259-V263 WeakPolarHBondContact O-CB 3.43Å; M259-V263 VanDerWaalsContact O-CG2 3.22Å; M259-V263 WeakPolarHBondContact O-CG2 3.29Å; M259-V263 PolarHBondContact O-N 3.39Å
264L66Low59.9Low122 Ų122118 Ų11864%0.63965%0.651SS**Hα-helixtrans-99.4-5.8-175.3-58.2176.7000114.6S260S260-L264 VanDerWaalsContact O-CB 3.28Å; S260-L264 WeakPolarHBondContact O-CB 3.21Å; S260-L264 VanDerWaalsContact O-CG 3.3Å; S260-L264 WeakPolarHBondContact O-CG 3.17Å; S260-L264 PolarHBondContact O-N 2.99Å
265S49.1Very low58Low81 Ų81122.4 Ų122.457%0.56667%0.673SS**  trans-124.1109.6-178.4-60.50000112.1E261E261-S265 WeakPolarHBondContact O-CB 3.33Å; E261-S265 PolarHBondContact O-N 3.48Å
266P52.7Low56.6Low113 Ų113118.4 Ų118.473%0.73467%0.672SS**  trans-60.1137.3164.2-2032.6000109.9K268P266-K268 PolarHBondContact O-N 2.89Å
267P53.6Low54.9Low131 Ų131123 Ų12385%0.85169%0.688SS**  trans-67.4109.7-179.826.7-33.4000110.1L269P267-L269 PolarHBondContact O-N 3.3Å
268K41.4Very low53.2Low194 Ų194127.5 Ų127.584%0.84370%0.7SS**PPolyproline II helixtrans-68.1122.4166.3-72.8-173.1176.3-176.60108.5P266 N270P266-K268 PolarHBondContact O-N 2.89Å; K268-N270 PolarHBondContact O-N 3.16Å
269L42.6Very low51.8Low159 Ų159130 Ų13083%0.83271%0.709SS**PPolyproline II helixtrans-71.1121.7173.3-157.9169.4000107.7P267 E271P267-L269 PolarHBondContact O-N 3.3Å; L269-E271 PolarHBondContact O-N 3.13Å
270N37.4Very low50.2Low146 Ų146131.1 Ų131.178%0.78172%0.717SS**PPolyproline II helixtrans-69.7117176.7-81.7-5.2000110.3K268K268-N270 PolarHBondContact O-N 3.16Å
271E42.1Very low48.6Very low190 Ų190131.8 Ų131.889%0.88873%0.727SS**PPolyproline II helixtrans-77.3160.6158.7-72.1-164.2123.100111.2L269L269-E271 PolarHBondContact O-N 3.13Å
272V44.9Very low47.2Very low129 Ų129130.7 Ų130.778%0.78274%0.738SS**  trans-112.1121.2-173.8168.90000109.9
273S41.8Very low45.9Very low104 Ų104130.2 Ų130.273%0.72776%0.758SS**  trans66.6157.6173.2-46.50000114.7
274S40.9Very low44.8Very low111 Ų111133.2 Ų133.278%0.77676%0.764SS**  cis-144.3171.112.2-49.60000111.5
275D40.8Very low43.7Very low163 Ų163133.3 Ų133.387%0.87278%0.775SS**  trans-61.2145.5177.1-52.2-102.9000115.4
276A44Very low43.2Very low94 Ų94132.9 Ų132.978%0.77778%0.783SS**  trans-171.197.7133.400000114.8
277N42Very low42.7Very low137 Ų137132.7 Ų132.773%0.73378%0.784SS**  65.7122.9125.5-157.917.5000122.4
278R46.4Very low42.2Very low203 Ų203134.5 Ų134.577%0.76678%0.782SS**  trans76.9151.8147.6-101.1162.6168.8-178.30.4121.3
279E43.9Very low42.1Very low126 Ų126130.5 Ų130.559%0.58978%0.778SS**  cis-177.8158.3-35.5-170-171.5120.300108.1
280N44Very low42Very low127 Ų127127.6 Ų127.668%0.67977%0.771SS**  trans68110.3174.1-58.4-53.7000115.4
281A40.8Very low42.1Very low92 Ų92125.6 Ų125.676%0.7677%0.769SS**  77.4127.769.300000111.6
282A39.3Very low41.9Very low94 Ų94125.1 Ų125.178%0.77777%0.766SS**  cis133.3157.412.900000106.1
283A42.5Very low41.5Very low100 Ų100127.3 Ų127.383%0.82677%0.768SS**  trans67.1151.8-17000000115.2
284E44.9Very low41.5Very low182 Ų182127 Ų12785%0.8577%0.772SS**  cis-165.8157.4-38.7-145.3179.1-139.200109.4
285S41.8Very low41.3Very low124 Ų124127.8 Ų127.887%0.86777%0.772SS**  trans62.7143.3155.3-156.50000119.8
286G39.9Very low41.9Very low72 Ų72125.7 Ų125.774%0.74277%0.767SS**  trans149.1106.9167.300000116.4
287S42.5Very low42.2Very low108 Ų108130.3 Ų130.376%0.75577%0.773SS**  trans-58.8166154.8-107.30000111.6
288E41.6Very low43.1Very low169 Ų169133.6 Ų133.679%0.7978%0.781SS**  cis-166.4161.91040.2-157.871.400112
289S39.6Very low44Very low111 Ų111130.2 Ų130.278%0.77677%0.774SS**  trans45.8112.9149.8-168.10000121.3
290S40Very low45.7Very low98 Ų98127.6 Ų127.669%0.68577%0.769SS**  153.2132.8110.8-172.10000114
291S40.4Very low47.4Very low103 Ų103128.4 Ų128.472%0.7277%0.773SS**  trans55.9125.4149.355.50000121.7
292Q37.1Very low49.5Very low180 Ų180127.4 Ų127.484%0.84176%0.764SS**  trans101144.4144.8-158.5163.5-24.500118.6
293E36.7Very low51.7Low176 Ų176128.8 Ų128.882%0.82276%0.755SS**  trans84.3138.7169.5-140146.7139.500120
294A41.4Very low53.5Low97 Ų97126.2 Ų126.280%0.80273%0.731SS**  trans-56130.3-161.700000116.4
295T37.7Very low55.4Low127 Ų127120.1 Ų120.178%0.77971%0.712SS**  trans-130.6142157.251.40000109.9
296P52.8Low57.5Low120 Ų120116.9 Ų116.978%0.77969%0.692SS**  trans-72.9134.6-173.828.6-34.5000111.6K298P296-K298 PolarHBondContact O-N 3.46Å
297E51.9Low59.6Low190 Ų190115.7 Ų115.789%0.88868%0.676SS**  trans-61.5128.8172.6-64.3-170.5165.200110E299E297-E299 PolarHBondContact O-N 2.99Å
298K61Low61.5Low206 Ų206118.7 Ų118.790%0.89667%0.671SS**  trans-7987.9-179.6-69.6177.3-179.3172.30109.6P296 S300P296-K298 PolarHBondContact O-N 3.46Å; K298-S300 PolarHBondContact O-N 2.92Å
299E63.3Low63.3Low133 Ų133114.9 Ų114.962%0.62166%0.66SS**  trans-46.9133.4162.4-72.4-168.9173.800109.7E297 E303 S304E297-E299 PolarHBondContact O-N 2.99Å; E299-E303 HydrophobicContact CB-CB 4.46Å; E299-S304 WeakPolarHBondContact CB-OG 3.47Å; E299-S304 PolarHBondContact OE2-OG 3.33Å
300S80.9Confident65.3Low71 Ų71117.6 Ų117.650%0.49766%0.658SS.*  trans-66.8146.7177.11770000110.1K298 A302 E303 S304K298-S300 PolarHBondContact O-N 2.92Å; S300-A302 PolarHBondContact O-N 3.12Å; S300-A302 PolarHBondContact OG-N 3.37Å; S300-E303 WeakPolarHBondContact O-CA 3.37Å; S300-E303 WeakPolarHBondContact O-CB 3.17Å; S300-E303 PolarHBondContact O-N 3.38Å; S300-S304 PolarHBondContact O-N 2.83Å; S300-S304 PolarHBondContact O-OG 2.96Å
301L80.3Confident67Low143 Ų143116.2 Ų116.275%0.74965%0.652SS**Hα-helixtrans-52.5-29.9170.6-91.7168.2000112.5A305L301-A305 WeakPolarHBondContact O-CB 3.25Å; L301-A305 PolarHBondContact O-N 3.32Å
302A84.8Confident68.5Low71 Ų71114.3 Ų114.359%0.58764%0.636SS**Hα-helixtrans-72.7-35173.500000113.1S300 A306S300-A302 PolarHBondContact O-N 3.12Å; S300-A302 PolarHBondContact OG-N 3.37Å; A302-A306 VanDerWaalsContact O-CB 3.24Å; A302-A306 WeakPolarHBondContact O-CB 3.34Å; A302-A306 PolarHBondContact O-N 3.09Å
303E84.6Confident69.8Low123 Ų123108.3 Ų108.358%0.57562%0.618SS**Hα-helixtrans-67-54.2175.8-157.579.3-124.600109.7E299 S300 A305 A306 A307E299-E303 HydrophobicContact CB-CB 4.46Å; S300-E303 WeakPolarHBondContact O-CA 3.37Å; S300-E303 WeakPolarHBondContact O-CB 3.17Å; S300-E303 PolarHBondContact O-N 3.38Å; E303-A305 VanDerWaalsContact C-N 3.34Å; E303-A305 PolarHBondContact O-N 2.73Å; E303-A306 CarbonylContact O-C 3.56Å; E303-A306 WeakPolarHBondContact O-CB 3.44Å; E303-A306 PolarHBondContact O-N 2.91Å; E303-A306 VanDerWaalsContact O-N 3.12Å; E303-A307 WeakPolarHBondContact O-CB 3.48Å; E303-A307 PolarHBondContact O-N 3.35Å
304S81Confident71Confident47 Ų47110.7 Ų110.733%0.32962%0.619SS.*Hα-helixtrans-67.4-32.5-178.5-46.10000112.3E299 S300 A307 Y308E299-S304 WeakPolarHBondContact CB-OG 3.47Å; E299-S304 PolarHBondContact OE2-OG 3.33Å; S300-S304 PolarHBondContact O-N 2.83Å; S300-S304 PolarHBondContact O-OG 2.96Å; S304-A307 PolarHBondContact O-N 2.75Å; S304-Y308 WeakPolarHBondContact O-CB 3.38Å; S304-Y308 PolarHBondContact O-N 3.32Å
305A84Confident72Confident54 Ų54115.6 Ų115.645%0.44662%0.623SS.*Hα-helixtrans-67.5-40.5170.500000112.5L301 E303 Y308 T309L301-A305 WeakPolarHBondContact O-CB 3.25Å; L301-A305 PolarHBondContact O-N 3.32Å; E303-A305 VanDerWaalsContact C-N 3.34Å; E303-A305 PolarHBondContact O-N 2.73Å; A305-Y308 PolarHBondContact O-N 2.59Å; A305-T309 WeakPolarHBondContact O-CB 3.44Å; A305-T309 PolarHBondContact O-N 3.28Å; A305-T309 PolarHBondContact O-OG1 2.94Å
306A85.8Confident73Confident55 Ų55113.9 Ų113.946%0.45562%0.615SS.*Hα-helixtrans-66-39173.700000111.7A302 E303 T309 K310A302-A306 VanDerWaalsContact O-CB 3.24Å; A302-A306 WeakPolarHBondContact O-CB 3.34Å; A302-A306 PolarHBondContact O-N 3.09Å; E303-A306 CarbonylContact O-C 3.56Å; E303-A306 WeakPolarHBondContact O-CB 3.44Å; E303-A306 PolarHBondContact O-N 2.91Å; E303-A306 VanDerWaalsContact O-N 3.12Å; A306-T309 PolarHBondContact O-N 3.44Å; A306-K310 WeakPolarHBondContact O-CB 3.3Å; A306-K310 PolarHBondContact O-N 2.8Å
307A83.8Confident73.8Confident48 Ų48116 Ų11640%0.39762%0.619SS.*Hα-helixtrans-63.1-46.3174.400000111.6E303 S304 T309 K310 A311E303-A307 WeakPolarHBondContact O-CB 3.48Å; E303-A307 PolarHBondContact O-N 3.35Å; S304-A307 PolarHBondContact O-N 2.75Å; A307-T309 PolarHBondContact O-N 3.28Å; A307-K310 PolarHBondContact O-N 2.99Å; A307-A311 VanDerWaalsContact O-CB 3.29Å; A307-A311 WeakPolarHBondContact O-CB 3.45Å; A307-A311 PolarHBondContact O-N 2.85Å
308Y82.7Confident74.8Confident170 Ų170114.1 Ų114.167%0.66761%0.614SS**Hα-helixtrans-60.7-44.4175-173.4-91.5000111.9S304 A305 A311 T312S304-Y308 WeakPolarHBondContact O-CB 3.38Å; S304-Y308 PolarHBondContact O-N 3.32Å; A305-Y308 PolarHBondContact O-N 2.59Å; Y308-A311 PolarHBondContact O-N 2.55Å; Y308-T312 HydrophobicContact CD1-CG2 4.17Å; Y308-T312 HydrophobicContact CE1-CG2 3.75Å; Y308-T312 HydrophobicContact CE2-CG2 4.32Å; Y308-T312 WeakPolarHBondContact O-CB 3.3Å; Y308-T312 WeakPolarHBondContact O-CG2 3.28Å; Y308-T312 PolarHBondContact O-N 3.24Å; Y308-T312 PolarHBondContact O-OG1 3.41Å
309T79.6Confident75.6Confident89 Ų89112.7 Ų112.755%0.54661%0.61SS.*Hα-helixtrans-61.4-44.8175.3-54.70000111.3A305 A306 A307 T312 A313A305-T309 WeakPolarHBondContact O-CB 3.44Å; A305-T309 PolarHBondContact O-N 3.28Å; A305-T309 PolarHBondContact O-OG1 2.94Å; A306-T309 PolarHBondContact O-N 3.44Å; A307-T309 PolarHBondContact O-N 3.28Å; T309-T312 PolarHBondContact O-OG1 3.15Å; T309-A313 WeakPolarHBondContact O-CB 3.4Å; T309-A313 PolarHBondContact O-N 3.28Å
310K81.5Confident76.5Confident168 Ų168114 Ų11473%0.7361%0.614SS**Hα-helixtrans-67.5-34.8179.4-174.1-179.6-179.6-175.80112.8A306 A307A306-K310 WeakPolarHBondContact O-CB 3.3Å; A306-K310 PolarHBondContact O-N 2.8Å; A307-K310 PolarHBondContact O-N 2.99Å
311A75Confident76.6Confident69 Ų69116.1 Ų116.157%0.5762%0.624SS**Hα-helixtrans-74-42.5176.900000112.2A307 Y308A307-A311 VanDerWaalsContact O-CB 3.29Å; A307-A311 WeakPolarHBondContact O-CB 3.45Å; A307-A311 PolarHBondContact O-N 2.85Å; Y308-A311 PolarHBondContact O-N 2.55Å
312T72.6Confident76.6Confident63 Ų63116 Ų11639%0.38762%0.619SS.*Hα-helixtrans-73-35.3178.249.90000112.7Y308 T309 R314 K315Y308-T312 HydrophobicContact CD1-CG2 4.17Å; Y308-T312 HydrophobicContact CE1-CG2 3.75Å; Y308-T312 HydrophobicContact CE2-CG2 4.32Å; Y308-T312 WeakPolarHBondContact O-CB 3.3Å; Y308-T312 WeakPolarHBondContact O-CG2 3.28Å; Y308-T312 PolarHBondContact O-N 3.24Å; Y308-T312 PolarHBondContact O-OG1 3.41Å; T309-T312 PolarHBondContact O-OG1 3.15Å; T312-R314 PolarHBondContact O-N 2.9Å; T312-R314 VanDerWaalsContact O-N 3.12Å; T312-K315 PolarHBondContact O-N 2.86Å
313A65.3Low76.4Confident55 Ų55118.8 Ų118.846%0.45563%0.629SS.*Hα-helixtrans-54.8-31.7177.700000113.7T309 K315 C316T309-A313 WeakPolarHBondContact O-CB 3.4Å; T309-A313 PolarHBondContact O-N 3.28Å; A313-K315 PolarHBondContact O-N 3.3Å; A313-C316 CarbonylContact O-C 3.56Å; A313-C316 PolarHBondContact O-N 2.7Å
314R60.2Low76.2Confident225 Ų225119.2 Ų119.285%0.84963%0.634SS**THydrogen-bonded Turntrans-65.5-14.6176.7-76.9-169.7170.6-170.3-3.2114.7T312T312-R314 PolarHBondContact O-N 2.9Å; T312-R314 VanDerWaalsContact O-N 3.12Å
315K63Low76.2Confident201 Ų201119.9 Ų119.987%0.87464%0.636SS**THydrogen-bonded Turntrans-93.7-0.8171.5-69.1-172.4174.8-175.70113.6T312 A313T312-K315 PolarHBondContact O-N 2.86Å; A313-K315 PolarHBondContact O-N 3.3Å
316C58.6Low76Confident91 Ų91119.8 Ų119.862%0.61564%0.64SS**  trans-126.643.9-178.7-158.30000111.4A313 L318A313-C316 CarbonylContact O-C 3.56Å; A313-C316 PolarHBondContact O-N 2.7Å; C316-L318 PolarHBondContact O-N 2.94Å
317L69.1Low75.7Confident165 Ų165117.7 Ų117.786%0.86462%0.621SS**  trans-86.581.7164.9-163.794.1000108.3
318L74.4Confident75.4Confident149 Ų149121.1 Ų121.178%0.7863%0.629SS**  trans-69.2139171.7-64.9177.6000109.6C316C316-L318 PolarHBondContact O-N 2.94Å
319E77.4Confident75.4Confident177 Ų177118.1 Ų118.183%0.82764%0.639SS**  trans-65.4142177.6-174.8164.1-162.100111.2V321E319-V321 VanDerWaalsContact C-N 3.29Å; E319-V321 PolarHBondContact O-N 2.87Å
320K81Confident76Confident159 Ų159114.9 Ų114.969%0.69162%0.618SS**  trans-79.279.8179.2-178.1-129.1166.6-159.50109.6E322K320-E322 IonicContact NZ-OE1 3.1Å; K320-E322 PolarHBondContact NZ-OE1 3.41Å; K320-E322 PolarHBondContact O-N 2.87Å
321V83Confident76.5Confident117 Ų117110.8 Ų110.871%0.70961%0.61SS**  trans-53.3131.6170-177.20000109.5E319E319-V321 VanDerWaalsContact C-N 3.29Å; E319-V321 PolarHBondContact O-N 2.87Å
322E81.7Confident77.5Confident139 Ų139110.8 Ų110.865%0.6560%0.601SS**  trans-81.7124.2179.4-53.7-136.7115.300109.9K320 I324K320-E322 IonicContact NZ-OE1 3.1Å; K320-E322 PolarHBondContact NZ-OE1 3.41Å; K320-E322 PolarHBondContact O-N 2.87Å; E322-I324 PolarHBondContact O-N 2.9Å; E322-I324 VanDerWaalsContact O-N 3.11Å
323V80.4Confident78.6Confident130 Ų130110.7 Ų110.779%0.78860%0.6SS**  trans-88.682.2-173.4-175.60000109.6T325V323-T325 PolarHBondContact O-N 2.96Å
324I80.4Confident80Confident133 Ų133109.5 Ų109.568%0.68259%0.585SS**  trans-62.4124.5172-61.9173.8000108.7E322E322-I324 PolarHBondContact O-N 2.9Å; E322-I324 VanDerWaalsContact O-N 3.11Å
325T80.3Confident81.8Confident60 Ų60103.2 Ų103.237%0.36857%0.566SS.*  trans-95.4-13.4-172.460.80000114.1V323 E327 E328V323-T325 PolarHBondContact O-N 2.96Å; T325-E327 PolarHBondContact O-N 3.21Å; T325-E327 WeakPolarHBondContact OG1-CB 3.48Å; T325-E327 PolarHBondContact OG1-N 3.47Å; T325-E328 WeakPolarHBondContact CB-OE1 3.35Å; T325-E328 PolarHBondContact N-OE1 2.71Å; T325-E328 PolarHBondContact OG1-OE1 2.91Å
326G80.5Confident83.5Confident52 Ų5294 Ų9454%0.53653%0.526SS..SBendtrans70.415-16900000113.6R374G326-R374 PolarHBondContact O-NH2 2.95Å
327E79.1Confident85.4Confident12 Ų1293.9 Ų93.96%0.05652%0.516CS..  trans-107.7-10.2174-60.3172.3-141.900112.3T325 A329 E330 R359 R378T325-E327 PolarHBondContact O-N 3.21Å; T325-E327 WeakPolarHBondContact OG1-CB 3.48Å; T325-E327 PolarHBondContact OG1-N 3.47Å; E327-A329 PolarHBondContact O-N 2.99Å; E327-E330 PolarHBondContact O-N 2.88Å; E327-R359 IonicContact OE2-CZ 2.8Å; E327-R359 IonicContact OE2-NH1 2.68Å; E327-R359 PolarHBondContact OE2-NH1 2.65Å; E327-R378 IonicContact OE1-CZ 2.65Å; E327-R378 IonicContact OE1-NE 2.86Å; E327-R378 PolarHBondContact OE1-NE 3.1Å; E327-R378 IonicContact OE1-NH2 3.92Å; E327-R378 PolarHBondContact OE1-NH2 2.86Å
328E78.3Confident86.8Confident119 Ų11986.3 Ų86.356%0.55648%0.477SS*.THydrogen-bonded Turntrans-72.7-22.9-168.8-74.1123.8-110.900115.7T325 E330T325-E328 WeakPolarHBondContact CB-OE1 3.35Å; T325-E328 PolarHBondContact N-OE1 2.71Å; T325-E328 PolarHBondContact OG1-OE1 2.91Å; E328-E330 PolarHBondContact O-N 2.96Å
329A82.8Confident87.9Confident107 Ų10782.2 Ų82.288%0.88445%0.453SS*.THydrogen-bonded Turntrans-83.67.8175.600000113.3E327E327-A329 PolarHBondContact O-N 2.99Å
330E90.9Very high89Confident22 Ų2273.8 Ų73.810%0.10341%0.414CS..SBendtrans-117.1144.2-173.3-46.6-173.313300112.2E327 E328 N332 N361 M363 R374E327-E330 PolarHBondContact O-N 2.88Å; E328-E330 PolarHBondContact O-N 2.96Å; E330-N332 PolarHBondContact O-N 2.87Å; E330-N361 HydrophobicContact CB-CB 3.97Å; E330-N361 WeakPolarHBondContact OE2-CB 3.31Å; E330-N361 PolarHBondContact OE2-ND2 2.94Å; E330-M363 HydrophobicContact CG-CG 4Å; E330-M363 WeakPolarHBondContact OE1-CG 3.48Å; E330-M363 VanDerWaalsContact OE1-SD 3.34Å; E330-R374 VanDerWaalsContact CD-CZ 3.46Å; E330-R374 IonicContact OE1-CZ 2.76Å; E330-R374 IonicContact OE1-NE 3.42Å; E330-R374 PolarHBondContact OE1-NE 2.89Å; E330-R374 IonicContact OE1-NH1 2.72Å; E330-R374 IonicContact OE1-NH2 3.74Å; E330-R374 PolarHBondContact OE1-NH2 3.1Å; E330-R374 VanDerWaalsContact OE1-NH2 3.1Å; E330-R374 IonicContact OE2-CZ 2.79Å; E330-R374 IonicContact OE2-NE 3.53Å; E330-R374 PolarHBondContact OE2-NE 3.17Å; E330-R374 IonicContact OE2-NH2 3.07Å; E330-R374 PolarHBondContact OE2-NH2 3.44Å
331S93Very high89.8Confident82 Ų8267.9 Ų67.957%0.57339%0.388SS*.EExtended strand (participates in β ladder)trans-79.9115.1173.9-167.20000110.1V333 N361 D362S331-V333 PolarHBondContact O-N 2.87Å; S331-N361 CarbonylContact O-C 3.58Å; S331-N361 WeakPolarHBondContact O-CA 3.19Å; S331-D362 PolarHBondContact N-O 2.88Å; S331-D362 PolarHBondContact O-N 3.45Å
332N94.9Very high90.5Very high69 Ų6963.3 Ų63.337%0.36936%0.361SS..EExtended strand (participates in β ladder)trans-75.3110.3171.9-178.2-113.4000110.4E330 L334 L360 N361E330-N332 PolarHBondContact O-N 2.87Å; N332-L334 PolarHBondContact ND2-O 3.35Å; N332-L360 PolarHBondContact ND2-O 2.93Å; N332-N361 PolarHBondContact ND2-OD1 3.03Å
333V95.6Very high91.3Very high60 Ų6059.8 Ų59.836%0.36434%0.343SS..EExtended strand (participates in β ladder)trans-77.9-42-178.9-175.70000111.1S331 L360 D362S331-V333 PolarHBondContact O-N 2.87Å; V333-L360 HydrophobicContact CB-CD2 4.43Å; V333-L360 HydrophobicContact CB-CG 4.24Å; V333-L360 WeakPolarHBondContact CB-O 3.42Å; V333-L360 HydrophobicContact CG1-CD2 4.44Å; V333-L360 HydrophobicContact CG2-CG 4.42Å; V333-L360 PolarHBondContact N-O 2.95Å; V333-D362 HydrophobicContact CG2-CB 3.96Å; V333-D362 WeakPolarHBondContact CG2-OD2 3.49Å
334L96.4Very high92Very high30 Ų3055.9 Ų55.916%0.15732%0.318CS..EExtended strand (participates in β ladder)trans-152.4141.3-171.9-179151.5000109.5N332 M336 R359 L360 Q431 L432N332-L334 PolarHBondContact ND2-O 3.35Å; L334-M336 HydrophobicContact CD2-CB 4.07Å; L334-M336 HydrophobicContact CD2-CG 3.69Å; L334-M336 HydrophobicContact CD2-SD 3.65Å; L334-R359 WeakPolarHBondContact O-CA 3.47Å; L334-L360 HydrophobicContact CB-CB 4.32Å; L334-L360 PolarHBondContact N-O 3.17Å; L334-L360 PolarHBondContact O-N 2.89Å; L334-Q431 HydrophobicContact CD1-CB 3.72Å; L334-L432 HydrophobicContact CD2-CD1 4.34Å
335Q97.4Very high92.7Very high93 Ų9357.8 Ų57.844%0.43532%0.321SS..EExtended strand (participates in β ladder)trans-137.7126175.9-173175.7-112.600109.4L357 L358 R359Q335-L357 VanDerWaalsContact CD-CD2 3.48Å; Q335-L357 HydrophobicContact CG-CD1 3.87Å; Q335-L357 HydrophobicContact CG-CD2 3.77Å; Q335-L357 HydrophobicContact CG-CG 3.62Å; Q335-L358 WeakPolarHBondContact CA-O 3.44Å; Q335-R359 HydrophobicContact CG-CG 4.1Å
336M98.3Very high93.5Very high8 Ų861.1 Ų61.14%0.03934%0.341CS..EExtended strand (participates in β ladder)trans-145.1148.1-173.959.8-177.3-84.900113L334 C338 L358 I422 A424 D428 L432L334-M336 HydrophobicContact CD2-CB 4.07Å; L334-M336 HydrophobicContact CD2-CG 3.69Å; L334-M336 HydrophobicContact CD2-SD 3.65Å; M336-C338 HydrophobicContact CE-CB 4.07Å; M336-L358 HydrophobicContact CG-CB 4.17Å; M336-L358 HydrophobicContact CG-CD2 4.36Å; M336-L358 PolarHBondContact N-O 2.97Å; M336-L358 PolarHBondContact O-N 2.68Å; M336-L358 HydrophobicContact SD-CD2 4.33Å; M336-I422 HydrophobicContact CE-CG2 4.46Å; M336-A424 HydrophobicContact CE-CB 3.2Å; M336-D428 HydrophobicContact CB-CB 4.06Å; M336-D428 HydrophobicContact CE-CB 3.58Å; M336-D428 HydrophobicContact SD-CB 3.95Å; M336-L432 HydrophobicContact CE-CD2 4Å; M336-L432 HydrophobicContact SD-CB 3.71Å; M336-L432 HydrophobicContact SD-CD1 4.37Å; M336-L432 HydrophobicContact SD-CD2 3.63Å; M336-L432 HydrophobicContact SD-CG 4.1Å
337Q98.2Very high94.3Very high88 Ų8861.7 Ų61.741%0.41134%0.338SS..EExtended strand (participates in β ladder)trans-85.1121.9174.6-177.270.960.200109.6G356Q337-G356 VanDerWaalsContact NE2-C 3.32Å; Q337-G356 PolarHBondContact NE2-O 3.02Å
338C98.6Very high95.1Very high6 Ų667 Ų674%0.04136%0.362CS..EExtended strand (participates in β ladder)trans-144.6173.7-179.170.70000113.2M336 R355 G356 L358 M377 I422 S423 A424M336-C338 HydrophobicContact CE-CB 4.07Å; C338-R355 WeakPolarHBondContact O-CA 3.42Å; C338-R355 WeakPolarHBondContact O-CG 3.09Å; C338-G356 PolarHBondContact N-O 2.66Å; C338-G356 PolarHBondContact O-N 3.28Å; C338-L358 WeakPolarHBondContact SG-CB 3.31Å; C338-M377 WeakPolarHBondContact O-CE 3.38Å; C338-M377 WeakPolarHBondContact SG-CE 3.24Å; C338-I422 HydrophobicContact CB-CG2 4.08Å; C338-S423 WeakPolarHBondContact CA-O 3.32Å; C338-S423 VanDerWaalsContact CB-O 3.29Å; C338-S423 WeakPolarHBondContact CB-O 3.2Å; C338-A424 HydrophobicContact CB-CB 3.93Å
339K98.7Very high96Very high63 Ų6363.6 Ų63.627%0.27435%0.352SS..EExtended strand (participates in β ladder)trans-104.4143.5161.3-68.1-172.2171-151.60109.5F341 E352 R355 S423K339-F341 HydrophobicContact CB-CD2 4.47Å; K339-F341 HydrophobicContact CB-CE2 3.7Å; K339-F341 HydrophobicContact CB-CZ 4.15Å; K339-F341 HydrophobicContact CD-CE2 4.06Å; K339-F341 HydrophobicContact CD-CZ 3.72Å; K339-E352 IonicContact NZ-OE1 3.48Å; K339-E352 IonicContact NZ-OE2 2.86Å; K339-E352 PolarHBondContact NZ-OE2 2.9Å; K339-R355 HydrophobicContact CG-CB 4.35Å; K339-R355 HydrophobicContact CG-CG 4.08Å; K339-S423 PolarHBondContact N-O 3.48Å; K339-S423 PolarHBondContact O-N 3.08Å
340L98.7Very high96.8Very high0 Ų062.8 Ų62.80%033%0.326CS..EExtended strand (participates in β ladder)trans-113.7132.5170.8-176.467.7000109.4R353 G354 M377 I386 L387 F420 I422L340-R353 HydrophobicContact CB-CB 4.34Å; L340-R353 HydrophobicContact CD2-CB 4.17Å; L340-R353 HydrophobicContact CD2-CG 3.88Å; L340-R353 HydrophobicContact CG-CB 4.08Å; L340-R353 HydrophobicContact CG-CG 4.34Å; L340-R353 WeakPolarHBondContact O-CB 3.2Å; L340-R353 PolarHBondContact O-N 3.02Å; L340-G354 PolarHBondContact N-O 2.95Å; L340-G354 PolarHBondContact O-N 2.99Å; L340-M377 HydrophobicContact CB-CE 4.15Å; L340-M377 HydrophobicContact CB-SD 3.62Å; L340-M377 HydrophobicContact CD2-SD 4.08Å; L340-M377 HydrophobicContact CG-SD 4.38Å; L340-I386 HydrophobicContact CB-CD1 4.5Å; L340-I386 HydrophobicContact CD2-CD1 4.31Å; L340-I386 HydrophobicContact CD2-CG1 4.48Å; L340-L387 HydrophobicContact CD1-CD2 4.45Å; L340-L387 HydrophobicContact CD2-CB 3.84Å; L340-L387 HydrophobicContact CD2-CD2 4.43Å; L340-F420 HydrophobicContact CD1-CB 3.96Å; L340-F420 HydrophobicContact CD1-CD1 3.84Å; L340-F420 HydrophobicContact CD1-CG 4.28Å; L340-F420 HydrophobicContact CD2-CD1 4.17Å; L340-F420 HydrophobicContact CD2-CE1 4.39Å; L340-F420 HydrophobicContact CG-CD1 4.03Å; L340-I422 HydrophobicContact CD1-CG1 3.84Å
341F98.5Very high97.1Very high36 Ų3665 Ų6516%0.15834%0.341CS..EExtended strand (participates in β ladder)trans-120.1150.5169.2-52.2-100.9000109.4K339 W350 V351 E352 F420 L421K339-F341 HydrophobicContact CB-CD2 4.47Å; K339-F341 HydrophobicContact CB-CE2 3.7Å; K339-F341 HydrophobicContact CB-CZ 4.15Å; K339-F341 HydrophobicContact CD-CE2 4.06Å; K339-F341 HydrophobicContact CD-CZ 3.72Å; F341-W350 HydrophobicContact CB-CB 4.19Å; F341-W350 HydrophobicContact CB-CE3 4.12Å; F341-W350 HydrophobicContact CD1-CB 4.44Å; F341-V351 CarbonylContact C-O 3.52Å; F341-V351 WeakPolarHBondContact CA-O 3.29Å; F341-V351 WeakPolarHBondContact CB-O 3.38Å; F341-E352 HydrophobicContact CD1-CB 3.77Å; F341-E352 HydrophobicContact CD1-CG 4.24Å; F341-E352 HydrophobicContact CE1-CB 3.68Å; F341-E352 HydrophobicContact CE1-CG 3.92Å; F341-E352 HydrophobicContact CZ-CG 4.39Å; F341-F420 CarbonylContact O-C 3.54Å; F341-F420 VanDerWaalsContact O-CA 3.22Å; F341-F420 WeakPolarHBondContact O-CA 3.48Å; F341-F420 WeakPolarHBondContact O-CB 3.22Å; F341-L421 HydrophobicContact CB-CB 4.27Å; F341-L421 HydrophobicContact CD2-CD2 4.49Å; F341-L421 PolarHBondContact N-O 3.43Å; F341-L421 PolarHBondContact O-N 3.46Å
342V97.9Very high97.3Very high21 Ų2165 Ų6513%0.12733%0.332CS..EExtended strand (participates in β ladder)trans-113.6142169.665.70000108.9D344 V351 K418 F420V342-D344 PolarHBondContact O-N 2.84Å; V342-V351 HydrophobicContact CG1-CB 4.25Å; V342-V351 PolarHBondContact N-O 2.97Å; V342-V351 PolarHBondContact O-N 2.82Å; V342-K418 HydrophobicContact CG2-CB 4.02Å; V342-K418 HydrophobicContact CG2-CD 3.83Å; V342-F420 HydrophobicContact CB-CD1 3.92Å; V342-F420 HydrophobicContact CB-CE1 3.9Å; V342-F420 HydrophobicContact CG2-CD1 4.1Å; V342-F420 HydrophobicContact CG2-CE1 3.87Å; V342-F420 HydrophobicContact CG2-CZ 4.18Å
343F98.1Very high97.4Very high64 Ų6463.3 Ų63.328%0.28132%0.32SS..EExtended strand (participates in β ladder)trans-80.4112.7173.5-173.2-102.4000109.5Q348 W350 V419F343-Q348 HydrophobicContact CZ-CB 4.3Å; F343-W350 HydrophobicContact CB-CE3 3.92Å; F343-W350 HydrophobicContact CB-CH2 4.07Å; F343-W350 HydrophobicContact CB-CZ3 3.65Å; F343-W350 HydrophobicContact CD2-CD2 4.22Å; F343-W350 HydrophobicContact CD2-CE3 4.42Å; F343-W350 HydrophobicContact CD2-CZ2 4.32Å; F343-V419 HydrophobicContact CB-CB 4.2Å; F343-V419 PolarHBondContact N-O 3.09Å
344D96.1Very high97.5Very high48 Ų4861.1 Ų61.126%0.25731%0.309SS..EExtended strand (participates in β ladder)trans-82.8117170.6167.536.4000109.8V342 T346 S347 Q348 S349 V351V342-D344 PolarHBondContact O-N 2.84Å; D344-T346 PolarHBondContact O-N 2.57Å; D344-T346 WeakPolarHBondContact OD1-CB 3.27Å; D344-T346 PolarHBondContact OD1-N 2.97Å; D344-T346 PolarHBondContact OD1-OG1 2.88Å; D344-T346 WeakPolarHBondContact OD2-CB 3.41Å; D344-S347 WeakPolarHBondContact OD2-CB 3.25Å; D344-S347 PolarHBondContact OD2-N 3.23Å; D344-S347 PolarHBondContact OD2-OG 3.39Å; D344-Q348 VanDerWaalsContact O-CA 3.29Å; D344-Q348 WeakPolarHBondContact O-CA 3.31Å; D344-Q348 PolarHBondContact O-N 3.11Å; D344-S349 PolarHBondContact N-O 2.87Å; D344-S349 PolarHBondContact O-N 3.48Å; D344-V351 HydrophobicContact CB-CG2 3.95Å
345K95.2Very high97.6Very high173 Ų17366 Ų6675%0.75233%0.326SS*.THydrogen-bonded Turntrans-62.9-24.6176.7-173179.6176.8-175.40112.4Q348K345-Q348 PolarHBondContact O-NE2 3.4Å
346T96.2Very high97.6Very high130 Ų13061.5 Ų61.580%0.79831%0.305SS*.THydrogen-bonded Turntrans-76.2-55-175.9-33.30000111.4D344 Q348D344-T346 PolarHBondContact O-N 2.57Å; D344-T346 WeakPolarHBondContact OD1-CB 3.27Å; D344-T346 PolarHBondContact OD1-N 2.97Å; D344-T346 PolarHBondContact OD1-OG1 2.88Å; D344-T346 WeakPolarHBondContact OD2-CB 3.41Å; T346-Q348 VanDerWaalsContact C-N 3.34Å
347S96.6Very high97.6Very high65 Ų6564.3 Ų64.346%0.45532%0.319SS..THydrogen-bonded Turntrans-81.7-9.2175.761.20000114.1D344 S349D344-S347 WeakPolarHBondContact OD2-CB 3.25Å; D344-S347 PolarHBondContact OD2-N 3.23Å; D344-S347 PolarHBondContact OD2-OG 3.39Å; S347-S349 PolarHBondContact O-N 2.74Å; S347-S349 PolarHBondContact OG-OG 3.28Å
348Q96.9Very high97.6Very high122 Ų12260.1 Ų60.157%0.5730%0.3SS*.THydrogen-bonded Turntrans55.137.1-171.9-65.6-74.2-60.700112.3F343 D344 K345 T346F343-Q348 HydrophobicContact CZ-CB 4.3Å; D344-Q348 VanDerWaalsContact O-CA 3.29Å; D344-Q348 WeakPolarHBondContact O-CA 3.31Å; D344-Q348 PolarHBondContact O-N 3.11Å; K345-Q348 PolarHBondContact O-NE2 3.4Å; T346-Q348 VanDerWaalsContact C-N 3.34Å
349S97.7Very high97.6Very high48 Ų4863.6 Ų63.634%0.33631%0.312SS..EExtended strand (participates in β ladder)trans-135.2166-170.184.40000113.6D344 S347D344-S349 PolarHBondContact N-O 2.87Å; D344-S349 PolarHBondContact O-N 3.48Å; S347-S349 PolarHBondContact O-N 2.74Å; S347-S349 PolarHBondContact OG-OG 3.28Å
350W98.2Very high97.5Very high90 Ų9060.6 Ų60.634%0.34130%0.299SS..EExtended strand (participates in β ladder)trans-94.1112.3177-66.3106.6000110.9F341 F343 R406 V419 L421F341-W350 HydrophobicContact CB-CB 4.19Å; F341-W350 HydrophobicContact CB-CE3 4.12Å; F341-W350 HydrophobicContact CD1-CB 4.44Å; F343-W350 HydrophobicContact CB-CE3 3.92Å; F343-W350 HydrophobicContact CB-CH2 4.07Å; F343-W350 HydrophobicContact CB-CZ3 3.65Å; F343-W350 HydrophobicContact CD2-CD2 4.22Å; F343-W350 HydrophobicContact CD2-CE3 4.42Å; F343-W350 HydrophobicContact CD2-CZ2 4.32Å; W350-R406 HydrophobicContact CH2-CG 4.19Å; W350-V419 HydrophobicContact CH2-CG1 3.94Å; W350-V419 HydrophobicContact CZ3-CG1 4.42Å; W350-L421 HydrophobicContact CD2-CB 4.26Å; W350-L421 HydrophobicContact CD2-CD2 4.36Å; W350-L421 HydrophobicContact CE3-CB 3.77Å; W350-L421 HydrophobicContact CH2-CB 3.88Å; W350-L421 HydrophobicContact CZ2-CB 4.36Å; W350-L421 HydrophobicContact CZ3-CB 3.57Å
351V97.8Very high97.4Very high69 Ų6960.8 Ų60.842%0.41830%0.3SS..EExtended strand (participates in β ladder)trans-94.7127.2178.5-1770000109.4F341 V342 D344 R353F341-V351 CarbonylContact C-O 3.52Å; F341-V351 WeakPolarHBondContact CA-O 3.29Å; F341-V351 WeakPolarHBondContact CB-O 3.38Å; V342-V351 HydrophobicContact CG1-CB 4.25Å; V342-V351 PolarHBondContact N-O 2.97Å; V342-V351 PolarHBondContact O-N 2.82Å; D344-V351 HydrophobicContact CB-CG2 3.95Å; V351-R353 PolarHBondContact O-N 2.84Å; V351-R353 VanDerWaalsContact O-N 3.1Å
352E97.8Very high97.3Very high83 Ų8359.9 Ų59.939%0.38830%0.297SS..EExtended strand (participates in β ladder)trans-68.3108.8177.6-169164.7154.400109.8K339 F341K339-E352 IonicContact NZ-OE1 3.48Å; K339-E352 IonicContact NZ-OE2 2.86Å; K339-E352 PolarHBondContact NZ-OE2 2.9Å; F341-E352 HydrophobicContact CD1-CB 3.77Å; F341-E352 HydrophobicContact CD1-CG 4.24Å; F341-E352 HydrophobicContact CE1-CB 3.68Å; F341-E352 HydrophobicContact CE1-CG 3.92Å; F341-E352 HydrophobicContact CZ-CG 4.39Å
353R96.6Very high96.8Very high33 Ų3361.9 Ų61.913%0.12531%0.306CS..EExtended strand (participates in β ladder)trans-75.9-30.6178.5-176.369.7180141.26.7111.2L340 V351 I386 T412 E413L340-R353 HydrophobicContact CB-CB 4.34Å; L340-R353 HydrophobicContact CD2-CB 4.17Å; L340-R353 HydrophobicContact CD2-CG 3.88Å; L340-R353 HydrophobicContact CG-CB 4.08Å; L340-R353 HydrophobicContact CG-CG 4.34Å; L340-R353 WeakPolarHBondContact O-CB 3.2Å; L340-R353 PolarHBondContact O-N 3.02Å; V351-R353 PolarHBondContact O-N 2.84Å; V351-R353 VanDerWaalsContact O-N 3.1Å; R353-I386 HydrophobicContact CG-CB 4.16Å; R353-T412 PolarHBondContact NH2-OG1 3.17Å; R353-E413 VanDerWaalsContact CZ-CD 3.48Å; R353-E413 IonicContact CZ-OE1 3.2Å; R353-E413 IonicContact CZ-OE2 3.18Å; R353-E413 IonicContact NH1-OE1 2.73Å; R353-E413 PolarHBondContact NH1-OE1 3.22Å; R353-E413 IonicContact NH1-OE2 2.71Å; R353-E413 PolarHBondContact NH1-OE2 3.41Å; R353-E413 IonicContact NH2-OE1 2.79Å; R353-E413 PolarHBondContact NH2-OE1 3.13Å; R353-E413 IonicContact NH2-OE2 2.79Å; R353-E413 PolarHBondContact NH2-OE2 3.05Å
354G97.8Very high95.9Very high13 Ų1362.9 Ų62.913%0.13433%0.326CS..EExtended strand (participates in β ladder)trans158.2172.8167.700000113.8L340L340-G354 PolarHBondContact N-O 2.95Å; L340-G354 PolarHBondContact O-N 2.99Å
355R98.4Very high94.6Very high132 Ų13262.2 Ų62.250%0.49833%0.325SS..EExtended strand (participates in β ladder)trans-112.2139.3172.4-168.8-171.6-49.6-173.88.6109.7C338 K339 T379 Q380C338-R355 WeakPolarHBondContact O-CA 3.42Å; C338-R355 WeakPolarHBondContact O-CG 3.09Å; K339-R355 HydrophobicContact CG-CB 4.35Å; K339-R355 HydrophobicContact CG-CG 4.08Å; R355-T379 WeakPolarHBondContact O-CA 3.29Å; R355-Q380 PolarHBondContact O-N 3.42Å
356G98.3Very high93.1Very high0 Ų060.4 Ų60.40%033%0.328CS..EExtended strand (participates in β ladder)trans177.8-169.9-17200000114.2Q337 C338 M377 R378Q337-G356 VanDerWaalsContact NE2-C 3.32Å; Q337-G356 PolarHBondContact NE2-O 3.02Å; C338-G356 PolarHBondContact N-O 2.66Å; C338-G356 PolarHBondContact O-N 3.28Å; G356-M377 VanDerWaalsContact N-CE 3.33Å; G356-R378 VanDerWaalsContact CA-O 3.23Å; G356-R378 WeakPolarHBondContact CA-O 3.38Å
357L97.6Very high91.6Very high66 Ų6661 Ų6135%0.34633%0.326SS..EExtended strand (participates in β ladder)trans-95.1119179.5-157.365.3000108Q335 M377 R378Q335-L357 VanDerWaalsContact CD-CD2 3.48Å; Q335-L357 HydrophobicContact CG-CD1 3.87Å; Q335-L357 HydrophobicContact CG-CD2 3.77Å; Q335-L357 HydrophobicContact CG-CG 3.62Å; L357-M377 WeakPolarHBondContact O-CA 3.37Å; L357-M377 WeakPolarHBondContact O-CG 3.47Å; L357-R378 PolarHBondContact N-O 2.8Å; L357-R378 VanDerWaalsContact N-O 3.12Å; L357-R378 PolarHBondContact O-N 3.25Å
358L98.4Very high90.4Very high0 Ų062.8 Ų62.80%033%0.331CS..EExtended strand (participates in β ladder)trans-98.3131.8174.4175.571.1000108.9Q335 M336 C338 L375 M377 L387 I422 L432Q335-L358 WeakPolarHBondContact CA-O 3.44Å; M336-L358 HydrophobicContact CG-CB 4.17Å; M336-L358 HydrophobicContact CG-CD2 4.36Å; M336-L358 PolarHBondContact N-O 2.97Å; M336-L358 PolarHBondContact O-N 2.68Å; M336-L358 HydrophobicContact SD-CD2 4.33Å; C338-L358 WeakPolarHBondContact SG-CB 3.31Å; L358-L375 HydrophobicContact CD1-CB 4.34Å; L358-L375 HydrophobicContact CD1-CD2 4.15Å; L358-L375 HydrophobicContact CG-CD2 4.42Å; L358-M377 HydrophobicContact CB-CG 4.15Å; L358-M377 HydrophobicContact CB-SD 4.41Å; L358-M377 HydrophobicContact CD1-CB 3.84Å; L358-M377 HydrophobicContact CD1-CG 4.32Å; L358-L387 HydrophobicContact CD1-CD2 4.24Å; L358-I422 HydrophobicContact CD2-CD1 3.92Å; L358-I422 HydrophobicContact CD2-CG2 3.9Å; L358-L432 HydrophobicContact CD2-CD1 4.43Å; L358-L432 HydrophobicContact CD2-CD2 3.63Å
359R97.5Very high89.3Confident79 Ų7960.2 Ų60.230%0.29834%0.338SS..EExtended strand (participates in β ladder)trans-114.5139176-71.9178.5172.3174.5-8.4109.9E327 L334 Q335 L375 V376E327-R359 IonicContact OE2-CZ 2.8Å; E327-R359 IonicContact OE2-NH1 2.68Å; E327-R359 PolarHBondContact OE2-NH1 2.65Å; L334-R359 WeakPolarHBondContact O-CA 3.47Å; Q335-R359 HydrophobicContact CG-CG 4.1Å; R359-L375 WeakPolarHBondContact O-CA 3.45Å; R359-V376 HydrophobicContact CB-CB 4.49Å; R359-V376 PolarHBondContact N-O 3.23Å; R359-V376 PolarHBondContact O-N 3.49Å
360L98Very high88.5Confident0 Ų059.9 Ų59.90%033%0.334CS..EExtended strand (participates in β ladder)trans-105116.1158.9174.859.9000107.1N332 V333 L334 L375 L391 A435 L436N332-L360 PolarHBondContact ND2-O 2.93Å; V333-L360 HydrophobicContact CB-CD2 4.43Å; V333-L360 HydrophobicContact CB-CG 4.24Å; V333-L360 WeakPolarHBondContact CB-O 3.42Å; V333-L360 HydrophobicContact CG1-CD2 4.44Å; V333-L360 HydrophobicContact CG2-CG 4.42Å; V333-L360 PolarHBondContact N-O 2.95Å; L334-L360 HydrophobicContact CB-CB 4.32Å; L334-L360 PolarHBondContact N-O 3.17Å; L334-L360 PolarHBondContact O-N 2.89Å; L360-L375 HydrophobicContact CB-CD2 3.99Å; L360-L375 HydrophobicContact CD1-CD2 4Å; L360-L375 HydrophobicContact CD1-CG 4.47Å; L360-L391 HydrophobicContact CD1-CD1 4.27Å; L360-A435 HydrophobicContact CD2-CB 3.61Å; L360-L436 HydrophobicContact CD1-CD2 3.99Å; L360-L436 HydrophobicContact CD2-CD2 4.36Å
361N96.7Very high87.9Confident4 Ų460 Ų602%0.02134%0.34CS..EExtended strand (participates in β ladder)trans-111.8141.5178.9-70.64.4000109.7E330 S331 N332 S373 R374E330-N361 HydrophobicContact CB-CB 3.97Å; E330-N361 WeakPolarHBondContact OE2-CB 3.31Å; E330-N361 PolarHBondContact OE2-ND2 2.94Å; S331-N361 CarbonylContact O-C 3.58Å; S331-N361 WeakPolarHBondContact O-CA 3.19Å; N332-N361 PolarHBondContact ND2-OD1 3.03Å; N361-S373 CarbonylContact O-C 3.53Å; N361-S373 VanDerWaalsContact O-CA 3.28Å; N361-S373 WeakPolarHBondContact O-CA 3.06Å; N361-R374 HydrophobicContact CB-CG 4.36Å; N361-R374 PolarHBondContact N-O 3.36Å; N361-R374 PolarHBondContact O-N 2.91Å
362D95.4Very high87.7Confident18 Ų1860 Ų6010%0.09634%0.336CS..EExtended strand (participates in β ladder)trans-111.7131.4171.1-75.6-13.1000110.3S331 V333 L371 S373 R439S331-D362 PolarHBondContact N-O 2.88Å; S331-D362 PolarHBondContact O-N 3.45Å; V333-D362 HydrophobicContact CG2-CB 3.96Å; V333-D362 WeakPolarHBondContact CG2-OD2 3.49Å; D362-L371 HydrophobicContact CB-CD1 3.81Å; D362-L371 HydrophobicContact CB-CG 4.35Å; D362-S373 VanDerWaalsContact OD1-CB 3.24Å; D362-S373 WeakPolarHBondContact OD1-CB 3.22Å; D362-S373 PolarHBondContact OD1-OG 3.46Å; D362-R439 IonicContact OD1-CZ 3.38Å; D362-R439 IonicContact OD1-NE 3.73Å; D362-R439 PolarHBondContact OD1-NE 2.95Å; D362-R439 IonicContact OD1-NH2 2.66Å; D362-R439 IonicContact OD2-CZ 3.17Å; D362-R439 IonicContact OD2-NE 3.42Å; D362-R439 PolarHBondContact OD2-NE 3.24Å; D362-R439 IonicContact OD2-NH2 3.71Å; D362-R439 PolarHBondContact OD2-NH2 2.87Å
363M88.3Confident87.6Confident63 Ų6356.1 Ų56.131%0.3132%0.318SS..EExtended strand (participates in β ladder)trans-100.8127.8166.8-43.4176.979.900107.4E330 Q372E330-M363 HydrophobicContact CG-CG 4Å; E330-M363 WeakPolarHBondContact OE1-CG 3.48Å; E330-M363 VanDerWaalsContact OE1-SD 3.34Å; M363-Q372 WeakPolarHBondContact CA-O 3.49Å; M363-Q372 HydrophobicContact CB-CB 4.25Å; M363-Q372 WeakPolarHBondContact CB-O 3.17Å; M363-Q372 WeakPolarHBondContact CG-O 3.5Å; M363-Q372 PolarHBondContact N-O 3.4Å; M363-Q372 PolarHBondContact O-N 2.96Å; M363-Q372 HydrophobicContact SD-CG 4.03Å; M363-Q372 PolarHBondContact SD-NE2 2.86Å
364A77.5Confident87.6Confident85 Ų8556.8 Ų56.870%0.70232%0.321SS*.EExtended strand (participates in β ladder)trans-82.6122.7160.500000107.5T366A364-T366 PolarHBondContact O-N 3.24Å
365S69.5Low87.6Confident33 Ų3356.2 Ų56.223%0.23131%0.314CS..PPolyproline II helixtrans-69.9126.9167.664.70000108.7D367 G369 T370S365-D367 PolarHBondContact O-N 3.12Å; S365-G369 PolarHBondContact O-N 2.81Å; S365-G369 PolarHBondContact OG-N 2.87Å; S365-T370 PolarHBondContact N-O 2.87Å; S365-T370 PolarHBondContact OG-N 3.25Å; S365-T370 PolarHBondContact OG-O 2.86Å; S365-T370 VanDerWaalsContact OG-O 3.11Å; S365-T370 PolarHBondContact OG-OG1 2.88Å
366T63.1Low87.5Confident135 Ų13550.1 Ų50.183%0.82829%0.292SS*.THydrogen-bonded Turntrans-54.2-36179.9-47.40000112.5A364A364-T366 PolarHBondContact O-N 3.24Å
367D66.4Low87.5Confident142 Ų14250.1 Ų50.176%0.75929%0.292SS*.THydrogen-bonded Turntrans-101.3-54.7-160.2-35.5-75.4000112.3S365 G369S365-D367 PolarHBondContact O-N 3.12Å; D367-G369 VanDerWaalsContact C-N 3.28Å; D367-G369 PolarHBondContact O-N 2.95Å
368D70.7Confident87.4Confident103 Ų10350.3 Ų50.355%0.55129%0.288SS*.THydrogen-bonded Turntrans-75.2-13.1178.2-73.86.4000113.5T370 R446D368-T370 HydrophobicContact CB-CG2 3.62Å; D368-T370 PolarHBondContact O-N 2.78Å; D368-R446 IonicContact OD2-CZ 3.55Å; D368-R446 IonicContact OD2-NH1 3.28Å; D368-R446 PolarHBondContact OD2-NH1 2.92Å; D368-R446 IonicContact OD2-NH2 3.19Å; D368-R446 PolarHBondContact OD2-NH2 2.97Å
369G73.6Confident87.3Confident69 Ų6951 Ų5171%0.71129%0.292SS*.  trans64.813.8-16700000114.7S365 D367S365-G369 PolarHBondContact O-N 2.81Å; S365-G369 PolarHBondContact OG-N 2.87Å; D367-G369 VanDerWaalsContact C-N 3.28Å; D367-G369 PolarHBondContact O-N 2.95Å
370T81.1Confident87.3Confident40 Ų4053.4 Ų53.425%0.24531%0.306CS..  trans-90.6146.9-172.563.70000113.9S365 D368 R446S365-T370 PolarHBondContact N-O 2.87Å; S365-T370 PolarHBondContact OG-N 3.25Å; S365-T370 PolarHBondContact OG-O 2.86Å; S365-T370 VanDerWaalsContact OG-O 3.11Å; S365-T370 PolarHBondContact OG-OG1 2.88Å; D368-T370 HydrophobicContact CB-CG2 3.62Å; D368-T370 PolarHBondContact O-N 2.78Å; T370-R446 VanDerWaalsContact CB-NH1 3.32Å; T370-R446 PolarHBondContact OG1-NH1 3.21Å
371L86.5Confident87.1Confident92 Ų9255.9 Ų55.948%0.48233%0.332SS..EExtended strand (participates in β ladder)trans-89.5108.4-177.4-163.472000110.8D362D362-L371 HydrophobicContact CB-CD1 3.81Å; D362-L371 HydrophobicContact CB-CG 4.35Å
372Q91.9Very high87.1Confident70 Ų7058 Ų5833%0.32735%0.347SS..EExtended strand (participates in β ladder)trans-100.3112.9172.4169.1168-70.500110.1M363 K390M363-Q372 WeakPolarHBondContact CA-O 3.49Å; M363-Q372 HydrophobicContact CB-CB 4.25Å; M363-Q372 WeakPolarHBondContact CB-O 3.17Å; M363-Q372 WeakPolarHBondContact CG-O 3.5Å; M363-Q372 PolarHBondContact N-O 3.4Å; M363-Q372 PolarHBondContact O-N 2.96Å; M363-Q372 HydrophobicContact SD-CG 4.03Å; M363-Q372 PolarHBondContact SD-NE2 2.86Å; Q372-K390 HydrophobicContact CG-CD 4.17Å; Q372-K390 HydrophobicContact CG-CG 4.46Å
373S95.8Very high87Confident2 Ų262.4 Ų62.41%0.01437%0.37CS..EExtended strand (participates in β ladder)trans-102.7149.6180-48.90000113N361 D362 L391 R439N361-S373 CarbonylContact O-C 3.53Å; N361-S373 VanDerWaalsContact O-CA 3.28Å; N361-S373 WeakPolarHBondContact O-CA 3.06Å; D362-S373 VanDerWaalsContact OD1-CB 3.24Å; D362-S373 WeakPolarHBondContact OD1-CB 3.22Å; D362-S373 PolarHBondContact OD1-OG 3.46Å; S373-L391 PolarHBondContact O-N 3.4Å; S373-R439 WeakPolarHBondContact OG-CD 3.44Å; S373-R439 PolarHBondContact OG-NE 3.46Å
374R96.2Very high87.3Confident47 Ų4765.8 Ų65.818%0.17738%0.38CS..EExtended strand (participates in β ladder)trans-138.2151169.265.7173.6-175.8-175.9-1.8113.6G326 E330 N361 V376 T389G326-R374 PolarHBondContact O-NH2 2.95Å; E330-R374 VanDerWaalsContact CD-CZ 3.46Å; E330-R374 IonicContact OE1-CZ 2.76Å; E330-R374 IonicContact OE1-NE 3.42Å; E330-R374 PolarHBondContact OE1-NE 2.89Å; E330-R374 IonicContact OE1-NH1 2.72Å; E330-R374 IonicContact OE1-NH2 3.74Å; E330-R374 PolarHBondContact OE1-NH2 3.1Å; E330-R374 VanDerWaalsContact OE1-NH2 3.1Å; E330-R374 IonicContact OE2-CZ 2.79Å; E330-R374 IonicContact OE2-NE 3.53Å; E330-R374 PolarHBondContact OE2-NE 3.17Å; E330-R374 IonicContact OE2-NH2 3.07Å; E330-R374 PolarHBondContact OE2-NH2 3.44Å; N361-R374 HydrophobicContact CB-CG 4.36Å; N361-R374 PolarHBondContact N-O 3.36Å; N361-R374 PolarHBondContact O-N 2.91Å; R374-V376 HydrophobicContact CG-CG2 4.04Å; R374-T389 CarbonylContact C-O 3.54Å; R374-T389 WeakPolarHBondContact CA-O 3.42Å; R374-T389 VanDerWaalsContact CB-O 3.32Å; R374-T389 WeakPolarHBondContact CB-O 3.31Å
375L98Very high88.1Confident0 Ų064.4 Ų64.40%036%0.36CS..EExtended strand (participates in β ladder)trans-98.7126.4168.4-74.1173.7000110.1L358 R359 L360 L387 N388 T389 L391 I407 I422 L432 L436L358-L375 HydrophobicContact CD1-CB 4.34Å; L358-L375 HydrophobicContact CD1-CD2 4.15Å; L358-L375 HydrophobicContact CG-CD2 4.42Å; R359-L375 WeakPolarHBondContact O-CA 3.45Å; L360-L375 HydrophobicContact CB-CD2 3.99Å; L360-L375 HydrophobicContact CD1-CD2 4Å; L360-L375 HydrophobicContact CD1-CG 4.47Å; L375-L387 HydrophobicContact CB-CD2 4.23Å; L375-N388 WeakPolarHBondContact O-CA 3.45Å; L375-T389 HydrophobicContact CB-CG2 3.89Å; L375-T389 PolarHBondContact N-O 2.89Å; L375-T389 PolarHBondContact O-N 2.89Å; L375-L391 HydrophobicContact CD1-CD2 4.34Å; L375-L391 HydrophobicContact CG-CD2 4.21Å; L375-I407 HydrophobicContact CD1-CD1 3.95Å; L375-I422 HydrophobicContact CD1-CD1 4.49Å; L375-L432 HydrophobicContact CD2-CD1 4.06Å; L375-L436 HydrophobicContact CD1-CD1 4Å; L375-L436 HydrophobicContact CD1-CD2 3.95Å; L375-L436 HydrophobicContact CD2-CD2 4.06Å; L375-L436 HydrophobicContact CG-CD2 4.02Å
376V97.1Very high89.4Confident4 Ų462.9 Ų62.92%0.02435%0.349CS..EExtended strand (participates in β ladder)trans-125128.9179.8-178.20000108.9R359 R374 L385 L387R359-V376 HydrophobicContact CB-CB 4.49Å; R359-V376 PolarHBondContact N-O 3.23Å; R359-V376 PolarHBondContact O-N 3.49Å; R374-V376 HydrophobicContact CG-CG2 4.04Å; V376-L385 HydrophobicContact CG1-CD1 3.77Å; V376-L387 WeakPolarHBondContact CA-O 3.4Å
377M97.8Very high91Very high0 Ų056.4 Ų56.40%031%0.31CS..EExtended strand (participates in β ladder)trans-132.4128.7176.9-165.4179.5173.900112.3C338 L340 G356 L357 L358 I386 L387C338-M377 WeakPolarHBondContact O-CE 3.38Å; C338-M377 WeakPolarHBondContact SG-CE 3.24Å; L340-M377 HydrophobicContact CB-CE 4.15Å; L340-M377 HydrophobicContact CB-SD 3.62Å; L340-M377 HydrophobicContact CD2-SD 4.08Å; L340-M377 HydrophobicContact CG-SD 4.38Å; G356-M377 VanDerWaalsContact N-CE 3.33Å; L357-M377 WeakPolarHBondContact O-CA 3.37Å; L357-M377 WeakPolarHBondContact O-CG 3.47Å; L358-M377 HydrophobicContact CB-CG 4.15Å; L358-M377 HydrophobicContact CB-SD 4.41Å; L358-M377 HydrophobicContact CD1-CB 3.84Å; L358-M377 HydrophobicContact CD1-CG 4.32Å; M377-I386 HydrophobicContact CB-CG1 4.2Å; M377-I386 HydrophobicContact CE-CD1 4.05Å; M377-I386 HydrophobicContact CG-CD1 4.14Å; M377-I386 HydrophobicContact CG-CG1 4.12Å; M377-I386 WeakPolarHBondContact O-CG1 3.06Å; M377-I386 PolarHBondContact O-N 2.79Å; M377-I386 HydrophobicContact SD-CD1 3.92Å; M377-I386 HydrophobicContact SD-CG1 4.4Å; M377-L387 HydrophobicContact CB-CB 3.85Å; M377-L387 PolarHBondContact N-O 2.86Å; M377-L387 PolarHBondContact O-N 3.15Å
378R95.9Very high92.5Very high71 Ų7152.5 Ų52.527%0.26829%0.289SS..EExtended strand (participates in β ladder)trans-118.6137.5176.6-66.1178.6-175.2-96.35.5110.6E327 G356 L357 R384 L385E327-R378 IonicContact OE1-CZ 2.65Å; E327-R378 IonicContact OE1-NE 2.86Å; E327-R378 PolarHBondContact OE1-NE 3.1Å; E327-R378 IonicContact OE1-NH2 3.92Å; E327-R378 PolarHBondContact OE1-NH2 2.86Å; G356-R378 VanDerWaalsContact CA-O 3.23Å; G356-R378 WeakPolarHBondContact CA-O 3.38Å; L357-R378 PolarHBondContact N-O 2.8Å; L357-R378 VanDerWaalsContact N-O 3.12Å; L357-R378 PolarHBondContact O-N 3.25Å; R378-R384 WeakPolarHBondContact CA-O 3.47Å; R378-L385 HydrophobicContact CG-CD1 4.13Å
379T97.5Very high93.7Very high13 Ų1347.7 Ų47.78%0.0826%0.263CS..EExtended strand (participates in β ladder)trans-62.2143.4178.647.30000112.5R355 S382 L383 R384 I386R355-T379 WeakPolarHBondContact O-CA 3.29Å; T379-S382 PolarHBondContact OG1-OG 2.76Å; T379-L383 VanDerWaalsContact O-CA 3.29Å; T379-L383 WeakPolarHBondContact O-CA 3.46Å; T379-L383 PolarHBondContact O-N 2.74Å; T379-R384 PolarHBondContact N-O 3.48Å; T379-R384 WeakPolarHBondContact OG1-CB 3.2Å; T379-R384 PolarHBondContact OG1-N 3.32Å; T379-R384 PolarHBondContact OG1-O 3.42Å; T379-R384 VanDerWaalsContact OG1-O 3.11Å; T379-I386 HydrophobicContact CG2-CD1 3.81Å; T379-I386 HydrophobicContact CG2-CG1 4.16Å; T379-I386 HydrophobicContact CG2-CG2 3.71Å
380Q96.2Very high94.8Very high130 Ų13049.9 Ų49.961%0.60725%0.253SS*.THydrogen-bonded Turntrans-65.4138173.4-168.3174.51100110.4R355 S382R355-Q380 PolarHBondContact O-N 3.42Å; Q380-S382 PolarHBondContact O-N 3.44Å; Q380-S382 VanDerWaalsContact O-N 3.12Å
381G94.9Very high95.5Very high52 Ų5248 Ų4854%0.53624%0.241SC..THydrogen-bonded Turntrans83-72.1-176.900000112.7L383G381-L383 PolarHBondContact O-N 2.72Å
382S94.9Very high96Very high48 Ų4846.9 Ų46.934%0.33623%0.231SC..THydrogen-bonded Turntrans-79.3-10.7-174.148.10000115.9T379 Q380 R384T379-S382 PolarHBondContact OG1-OG 2.76Å; Q380-S382 PolarHBondContact O-N 3.44Å; Q380-S382 VanDerWaalsContact O-N 3.12Å; S382-R384 PolarHBondContact O-N 3.42Å
383L93.5Very high96.2Very high111 Ų11143.8 Ų43.858%0.58122%0.217SC*.  trans54.89.6-179.5-55.2179.5000115.7T379 G381 L385T379-L383 VanDerWaalsContact O-CA 3.29Å; T379-L383 WeakPolarHBondContact O-CA 3.46Å; T379-L383 PolarHBondContact O-N 2.74Å; G381-L383 PolarHBondContact O-N 2.72Å; L383-L385 PolarHBondContact O-N 2.78Å
384R94.5Very high96.2Very high135 Ų13549.1 Ų49.151%0.50924%0.242SC..  trans-55.5122.9174.4-173.7-176.474.7164.32.9109.1R378 T379 S382R378-R384 WeakPolarHBondContact CA-O 3.47Å; T379-R384 PolarHBondContact N-O 3.48Å; T379-R384 WeakPolarHBondContact OG1-CB 3.2Å; T379-R384 PolarHBondContact OG1-N 3.32Å; T379-R384 PolarHBondContact OG1-O 3.42Å; T379-R384 VanDerWaalsContact OG1-O 3.11Å; S382-R384 PolarHBondContact O-N 3.42Å
385L95.1Very high96.2Very high56 Ų5646.9 Ų46.929%0.29323%0.234SC..EExtended strand (participates in β ladder)trans-61.5130172.3-170.967000109.3V376 R378 L383 L387 N388V376-L385 HydrophobicContact CG1-CD1 3.77Å; R378-L385 HydrophobicContact CG-CD1 4.13Å; L383-L385 PolarHBondContact O-N 2.78Å; L385-L387 WeakPolarHBondContact CD1-O 3.48Å; L385-N388 HydrophobicContact CD1-CB 4.28Å; L385-N388 HydrophobicContact CD2-CB 4.05Å; L385-N388 HydrophobicContact CG-CB 4.38Å
386I96.8Very high96.2Very high0 Ų052.4 Ų52.40%026%0.259CS..EExtended strand (participates in β ladder)trans-132.5-7.5-178.253162.9000113.8L340 R353 M377 T379L340-I386 HydrophobicContact CB-CD1 4.5Å; L340-I386 HydrophobicContact CD2-CD1 4.31Å; L340-I386 HydrophobicContact CD2-CG1 4.48Å; R353-I386 HydrophobicContact CG-CB 4.16Å; M377-I386 HydrophobicContact CB-CG1 4.2Å; M377-I386 HydrophobicContact CE-CD1 4.05Å; M377-I386 HydrophobicContact CG-CD1 4.14Å; M377-I386 HydrophobicContact CG-CG1 4.12Å; M377-I386 WeakPolarHBondContact O-CG1 3.06Å; M377-I386 PolarHBondContact O-N 2.79Å; M377-I386 HydrophobicContact SD-CD1 3.92Å; M377-I386 HydrophobicContact SD-CG1 4.4Å; T379-I386 HydrophobicContact CG2-CD1 3.81Å; T379-I386 HydrophobicContact CG2-CG1 4.16Å; T379-I386 HydrophobicContact CG2-CG2 3.71Å
387L97.7Very high96.3Very high0 Ų053.3 Ų53.30%026%0.264CS..EExtended strand (participates in β ladder)trans-150134167.1-175.666.2000108.2L340 L358 L375 V376 M377 L385 T389 A409 F420L340-L387 HydrophobicContact CD1-CD2 4.45Å; L340-L387 HydrophobicContact CD2-CB 3.84Å; L340-L387 HydrophobicContact CD2-CD2 4.43Å; L358-L387 HydrophobicContact CD1-CD2 4.24Å; L375-L387 HydrophobicContact CB-CD2 4.23Å; V376-L387 WeakPolarHBondContact CA-O 3.4Å; M377-L387 HydrophobicContact CB-CB 3.85Å; M377-L387 PolarHBondContact N-O 2.86Å; M377-L387 PolarHBondContact O-N 3.15Å; L385-L387 WeakPolarHBondContact CD1-O 3.48Å; L387-T389 HydrophobicContact CD1-CG2 4.05Å; L387-T389 HydrophobicContact CD2-CG2 4.41Å; L387-T389 HydrophobicContact CG-CG2 4.19Å; L387-A409 HydrophobicContact CD1-CB 3.97Å; L387-F420 HydrophobicContact CD1-CE1 4.49Å; L387-F420 HydrophobicContact CD1-CE2 4.47Å; L387-F420 HydrophobicContact CD1-CZ 4.34Å
388N96.2Very high96.3Very high60 Ų6055.6 Ų55.632%0.32128%0.276SS..EExtended strand (participates in β ladder)trans-149.397.6167.6-175.46.9000107.6L375 L385 T412L375-N388 WeakPolarHBondContact O-CA 3.45Å; L385-N388 HydrophobicContact CD1-CB 4.28Å; L385-N388 HydrophobicContact CD2-CB 4.05Å; L385-N388 HydrophobicContact CG-CB 4.38Å; N388-T412 HydrophobicContact CB-CG2 4.12Å
389T96.9Very high96.3Very high1 Ų156.6 Ų56.61%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-132.4125.3-175.3-172.70000110.4R374 L375 L387 M395 A409 M410R374-T389 CarbonylContact C-O 3.54Å; R374-T389 WeakPolarHBondContact CA-O 3.42Å; R374-T389 VanDerWaalsContact CB-O 3.32Å; R374-T389 WeakPolarHBondContact CB-O 3.31Å; L375-T389 HydrophobicContact CB-CG2 3.89Å; L375-T389 PolarHBondContact N-O 2.89Å; L375-T389 PolarHBondContact O-N 2.89Å; L387-T389 HydrophobicContact CD1-CG2 4.05Å; L387-T389 HydrophobicContact CD2-CG2 4.41Å; L387-T389 HydrophobicContact CG-CG2 4.19Å; T389-M395 HydrophobicContact CG2-CE 4.43Å; T389-A409 HydrophobicContact CG2-CB 3.72Å; T389-M410 PolarHBondContact OG1-N 3.3Å
390K96Very high96.4Very high115 Ų11558.1 Ų58.150%0.530%0.297SS..EExtended strand (participates in β ladder)trans-61.8151.1161.4174.4170.2169.8175.60109.1Q372Q372-K390 HydrophobicContact CG-CD 4.17Å; Q372-K390 HydrophobicContact CG-CG 4.46Å
391L97Very high96.4Very high1 Ų154.5 Ų54.51%0.00529%0.285CS..  trans-86.5143.9168.9-51.5-171.4000110.1L360 S373 L375 M395 L436 R439 L443L360-L391 HydrophobicContact CD1-CD1 4.27Å; S373-L391 PolarHBondContact O-N 3.4Å; L375-L391 HydrophobicContact CD1-CD2 4.34Å; L375-L391 HydrophobicContact CG-CD2 4.21Å; L391-M395 HydrophobicContact CB-SD 4.25Å; L391-M395 HydrophobicContact CD2-CE 3.83Å; L391-M395 HydrophobicContact CD2-SD 3.61Å; L391-M395 HydrophobicContact CG-SD 4.49Å; L391-L436 HydrophobicContact CD1-CD2 3.57Å; L391-L436 HydrophobicContact CD2-CD2 3.78Å; L391-L436 HydrophobicContact CG-CD2 4.35Å; L391-R439 HydrophobicContact CD1-CB 3.78Å; L391-L443 HydrophobicContact CB-CD1 3.95Å; L391-L443 WeakPolarHBondContact O-CD1 3.34Å
392W95.7Very high96.6Very high68 Ų6857.8 Ų57.826%0.25829%0.287SS..  trans-134.7159.8177.169.7100.9000111.6Q394 M395 T408 M410 V417W392-Q394 PolarHBondContact O-N 3.03Å; W392-M395 HydrophobicContact CD2-CB 3.73Å; W392-M395 HydrophobicContact CD2-CG 4.13Å; W392-M395 HydrophobicContact CE3-CB 4.11Å; W392-M395 HydrophobicContact CE3-CG 4.03Å; W392-M395 HydrophobicContact CE3-SD 4.16Å; W392-M395 HydrophobicContact CG-CB 4.09Å; W392-M395 HydrophobicContact CH2-CG 4.01Å; W392-M395 HydrophobicContact CZ2-CB 4.18Å; W392-M395 HydrophobicContact CZ2-CG 4.07Å; W392-M395 HydrophobicContact CZ3-CE 4.12Å; W392-M395 HydrophobicContact CZ3-CG 3.98Å; W392-M395 HydrophobicContact CZ3-SD 4.19Å; W392-M395 WeakPolarHBondContact O-CB 3.4Å; W392-M395 PolarHBondContact O-N 2.97Å; W392-M395 VanDerWaalsContact O-N 3.12Å; W392-T408 VanDerWaalsContact CH2-O 3.31Å; W392-T408 WeakPolarHBondContact CH2-O 3.46Å; W392-M410 HydrophobicContact CZ3-CG 4.48Å; W392-V417 HydrophobicContact CH2-CG1 4.44Å; W392-V417 HydrophobicContact CZ2-CG1 4.4Å
393A96Very high96.8Very high6 Ų660.7 Ų60.75%0.0529%0.293CS..THydrogen-bonded Turntrans-58-46.1-173.500000113M395 L443 R444 V447A393-M395 PolarHBondContact O-N 3.12Å; A393-L443 HydrophobicContact CB-CB 4.12Å; A393-R444 HydrophobicContact CB-CG 3.95Å; A393-R444 VanDerWaalsContact O-CG 3.28Å; A393-R444 WeakPolarHBondContact O-CG 3.45Å; A393-R444 PolarHBondContact O-NE 2.81Å; A393-V447 HydrophobicContact CB-CB 4.36Å; A393-V447 HydrophobicContact CB-CG2 3.88Å
394Q96.1Very high97Very high114 Ų11456 Ų5653%0.53327%0.27SS..THydrogen-bonded Turntrans-80.74.9-178.4-58.976.99.400113.5W392 Q396W392-Q394 PolarHBondContact O-N 3.03Å; Q394-Q396 PolarHBondContact O-N 3.11Å; Q394-Q396 PolarHBondContact O-NE2 3.24Å
395M97.3Very high97.2Very high0 Ų049.7 Ų49.70%025%0.246CC..  trans-58.8128.3178.8-167.8-177.8-167.800110.2T389 L391 W392 A393 I407 T408 I440 R444T389-M395 HydrophobicContact CG2-CE 4.43Å; L391-M395 HydrophobicContact CB-SD 4.25Å; L391-M395 HydrophobicContact CD2-CE 3.83Å; L391-M395 HydrophobicContact CD2-SD 3.61Å; L391-M395 HydrophobicContact CG-SD 4.49Å; W392-M395 HydrophobicContact CD2-CB 3.73Å; W392-M395 HydrophobicContact CD2-CG 4.13Å; W392-M395 HydrophobicContact CE3-CB 4.11Å; W392-M395 HydrophobicContact CE3-CG 4.03Å; W392-M395 HydrophobicContact CE3-SD 4.16Å; W392-M395 HydrophobicContact CG-CB 4.09Å; W392-M395 HydrophobicContact CH2-CG 4.01Å; W392-M395 HydrophobicContact CZ2-CB 4.18Å; W392-M395 HydrophobicContact CZ2-CG 4.07Å; W392-M395 HydrophobicContact CZ3-CE 4.12Å; W392-M395 HydrophobicContact CZ3-CG 3.98Å; W392-M395 HydrophobicContact CZ3-SD 4.19Å; W392-M395 WeakPolarHBondContact O-CB 3.4Å; W392-M395 PolarHBondContact O-N 2.97Å; W392-M395 VanDerWaalsContact O-N 3.12Å; A393-M395 PolarHBondContact O-N 3.12Å; M395-I407 HydrophobicContact CE-CB 4.46Å; M395-I407 HydrophobicContact CE-CD1 4.24Å; M395-T408 WeakPolarHBondContact CE-O 3.5Å; M395-T408 WeakPolarHBondContact CG-O 3.36Å; M395-I440 HydrophobicContact CB-CD1 4.14Å; M395-I440 HydrophobicContact CB-CG1 4.38Å; M395-I440 HydrophobicContact CG-CD1 4.22Å; M395-I440 HydrophobicContact SD-CD1 3.79Å; M395-I440 HydrophobicContact SD-CG1 4.32Å; M395-R444 PolarHBondContact O-NH2 2.97Å; M395-R444 VanDerWaalsContact O-NH2 3.09Å
396Q97.8Very high97.4Very high116 Ų11651.7 Ų51.754%0.54225%0.25SC..  trans-85.8131.5176.7-58.5-57.4-58.900109.3Q394 I407 T408Q394-Q396 PolarHBondContact O-N 3.11Å; Q394-Q396 PolarHBondContact O-NE2 3.24Å; Q396-I407 VanDerWaalsContact O-CA 3.3Å; Q396-I407 WeakPolarHBondContact O-CA 3.23Å; Q396-T408 HydrophobicContact CB-CG2 3.89Å; Q396-T408 HydrophobicContact CG-CG2 4.2Å; Q396-T408 PolarHBondContact N-OG1 3.33Å; Q396-T408 PolarHBondContact O-N 3.02Å; Q396-T408 PolarHBondContact O-OG1 2.89Å
397I98.2Very high97.5Very high22 Ų2251.8 Ų51.811%0.11325%0.25CS..EExtended strand (participates in β ladder)trans-144.1124.9178.4178.1166.2000109.5I405 R406 I407 Y433 L436 I440I397-I405 HydrophobicContact CD1-CG2 4.01Å; I397-I405 HydrophobicContact CG1-CG2 3.71Å; I397-R406 WeakPolarHBondContact CA-O 3.38Å; I397-I407 HydrophobicContact CB-CG2 4.16Å; I397-I407 HydrophobicContact CD1-CG2 4.18Å; I397-I407 HydrophobicContact CG1-CG2 3.92Å; I397-Y433 HydrophobicContact CD1-CD2 4.05Å; I397-Y433 HydrophobicContact CD1-CE2 4.3Å; I397-Y433 HydrophobicContact CG1-CD2 3.98Å; I397-Y433 HydrophobicContact CG1-CE2 3.84Å; I397-L436 HydrophobicContact CD1-CB 3.41Å; I397-L436 VanDerWaalsContact CD1-CB 3.41Å; I397-L436 HydrophobicContact CD1-CD1 3.66Å; I397-L436 HydrophobicContact CD1-CG 4.19Å; I397-I440 HydrophobicContact CB-CD1 4.25Å; I397-I440 HydrophobicContact CD1-CD1 4.49Å; I397-I440 HydrophobicContact CG2-CD1 3.68Å
398D97.3Very high97.5Very high49 Ų4953 Ų5326%0.26226%0.258SS..EExtended strand (participates in β ladder)trans-139.5148.5175.274.8-109.2000112.3A400 I405 R406D398-A400 VanDerWaalsContact C-N 3.31Å; D398-A400 PolarHBondContact O-N 2.73Å; D398-A400 VanDerWaalsContact O-N 3.1Å; D398-A400 PolarHBondContact OD2-N 2.79Å; D398-I405 WeakPolarHBondContact O-CA 3.33Å; D398-I405 WeakPolarHBondContact O-CG2 3.44Å; D398-R406 PolarHBondContact N-O 2.71Å; D398-R406 PolarHBondContact O-N 2.79Å; D398-R406 IonicContact OD1-CZ 3.18Å; D398-R406 IonicContact OD1-NE 2.75Å; D398-R406 PolarHBondContact OD1-NE 3.45Å; D398-R406 IonicContact OD1-NH2 2.78Å; D398-R406 PolarHBondContact OD1-NH2 3.19Å; D398-R406 IonicContact OD2-CZ 3.45Å; D398-R406 IonicContact OD2-NE 3.5Å; D398-R406 PolarHBondContact OD2-NE 3.37Å; D398-R406 IonicContact OD2-NH2 2.94Å; D398-R406 PolarHBondContact OD2-NH2 3.14Å
399K97.8Very high97.6Very high91 Ų9150.1 Ų50.140%0.39624%0.242SC..EExtended strand (participates in β ladder)trans-87.472.8179.9-166.8177.8-178.2-173.20110.2S401 Y433K399-S401 WeakPolarHBondContact CE-O 3.36Å; K399-S401 VanDerWaalsContact CG-O 3.29Å; K399-S401 WeakPolarHBondContact CG-O 3.45Å; K399-S401 PolarHBondContact O-N 2.75Å; K399-Y433 HydrophobicContact CB-CD2 4Å; K399-Y433 HydrophobicContact CB-CE2 3.95Å; K399-Y433 HydrophobicContact CB-CG 4.42Å
400A97.8Very high97.6Very high46 Ų4653.9 Ų53.938%0.3826%0.261SS..EExtended strand (participates in β ladder)trans-52.6-25.9-177.500000114.9D398 S404 R406 L421D398-A400 VanDerWaalsContact C-N 3.31Å; D398-A400 PolarHBondContact O-N 2.73Å; D398-A400 VanDerWaalsContact O-N 3.1Å; D398-A400 PolarHBondContact OD2-N 2.79Å; A400-S404 PolarHBondContact N-O 2.84Å; A400-R406 HydrophobicContact CB-CB 4.07Å; A400-L421 HydrophobicContact CB-CD1 4.04Å
401S98.1Very high97.6Very high53 Ų5348.8 Ų48.837%0.37124%0.239SC..EExtended strand (participates in β ladder)trans-155.9176.1163.279.10000111.6K399 K403 S404K399-S401 WeakPolarHBondContact CE-O 3.36Å; K399-S401 VanDerWaalsContact CG-O 3.29Å; K399-S401 WeakPolarHBondContact CG-O 3.45Å; K399-S401 PolarHBondContact O-N 2.75Å; S401-K403 PolarHBondContact O-N 3.26Å; S401-K403 VanDerWaalsContact O-N 3.07Å; S401-K403 PolarHBondContact OG-N 3.38Å; S401-K403 VanDerWaalsContact OG-N 3.14Å; S401-S404 WeakPolarHBondContact CB-OG 3.24Å; S401-S404 PolarHBondContact N-O 3.2Å; S401-S404 PolarHBondContact N-OG 3.28Å; S401-S404 PolarHBondContact O-N 3.01Å; S401-S404 VanDerWaalsContact O-O 3.11Å; S401-S404 PolarHBondContact OG-N 3.47Å; S401-S404 VanDerWaalsContact OG-N 3.11Å; S401-S404 PolarHBondContact OG-OG 2.6Å
402E98.2Very high97.3Very high121 Ų12151.3 Ų51.357%0.56525%0.254SS*.THydrogen-bonded Turntrans-52.1-30171.1-161.5-159.713000113.2S426 T429E402-S426 WeakPolarHBondContact OE1-CB 3.36Å; E402-S426 PolarHBondContact OE1-OG 3.17Å; E402-T429 WeakPolarHBondContact O-CB 3.24Å; E402-T429 WeakPolarHBondContact O-CG2 3.42Å
403K98.5Very high96.9Very high110 Ų11053.4 Ų53.448%0.47827%0.267SS..THydrogen-bonded Turntrans-119.415.1-173-66.5174.8-174.7171.40113.5S401 S423 A424 S426 T429S401-K403 PolarHBondContact O-N 3.26Å; S401-K403 VanDerWaalsContact O-N 3.07Å; S401-K403 PolarHBondContact OG-N 3.38Å; S401-K403 VanDerWaalsContact OG-N 3.14Å; K403-S423 WeakPolarHBondContact O-CA 3.35Å; K403-S423 PolarHBondContact O-OG 3.39Å; K403-S423 VanDerWaalsContact O-OG 3.09Å; K403-A424 WeakPolarHBondContact CB-O 3.42Å; K403-A424 PolarHBondContact O-N 3.35Å; K403-A424 VanDerWaalsContact O-N 3.1Å; K403-S426 WeakPolarHBondContact CE-OG 3.46Å; K403-S426 WeakPolarHBondContact CG-OG 3.29Å; K403-T429 WeakPolarHBondContact CA-OG1 3.22Å
404S98.5Very high96.6Very high13 Ų1358.4 Ų58.49%0.09129%0.293CS..EExtended strand (participates in β ladder)trans-153135.617764.30000114.5A400 S401 I422A400-S404 PolarHBondContact N-O 2.84Å; S401-S404 WeakPolarHBondContact CB-OG 3.24Å; S401-S404 PolarHBondContact N-O 3.2Å; S401-S404 PolarHBondContact N-OG 3.28Å; S401-S404 PolarHBondContact O-N 3.01Å; S401-S404 VanDerWaalsContact O-O 3.11Å; S401-S404 PolarHBondContact OG-N 3.47Å; S401-S404 VanDerWaalsContact OG-N 3.11Å; S401-S404 PolarHBondContact OG-OG 2.6Å; S404-I422 CarbonylContact C-O 3.51Å; S404-I422 WeakPolarHBondContact CA-O 3.26Å
405I98.8Very high96.2Very high1 Ų160.6 Ų60.61%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-106.9134.3170.3-47179.9000108.5I397 D398 I407 L421 I422 T429 L432 Y433I397-I405 HydrophobicContact CD1-CG2 4.01Å; I397-I405 HydrophobicContact CG1-CG2 3.71Å; D398-I405 WeakPolarHBondContact O-CA 3.33Å; D398-I405 WeakPolarHBondContact O-CG2 3.44Å; I405-I407 HydrophobicContact CG2-CG2 3.88Å; I405-L421 WeakPolarHBondContact O-CA 3.04Å; I405-I422 PolarHBondContact N-O 2.74Å; I405-I422 PolarHBondContact O-N 3.27Å; I405-T429 HydrophobicContact CD1-CG2 4.42Å; I405-T429 HydrophobicContact CG1-CG2 3.7Å; I405-L432 HydrophobicContact CD1-CB 3.89Å; I405-L432 HydrophobicContact CD1-CD2 3.72Å; I405-L432 HydrophobicContact CD1-CG 3.69Å; I405-Y433 HydrophobicContact CD1-CD2 4.41Å; I405-Y433 HydrophobicContact CG2-CD2 4.11Å
406R98.7Very high96.1Very high99 Ų9962.1 Ų62.137%0.37432%0.319SS..EExtended strand (participates in β ladder)trans-99134167.2180171.958.2-148.1-6.5109W350 I397 D398 A400 V419 F420 L421W350-R406 HydrophobicContact CH2-CG 4.19Å; I397-R406 WeakPolarHBondContact CA-O 3.38Å; D398-R406 PolarHBondContact N-O 2.71Å; D398-R406 PolarHBondContact O-N 2.79Å; D398-R406 IonicContact OD1-CZ 3.18Å; D398-R406 IonicContact OD1-NE 2.75Å; D398-R406 PolarHBondContact OD1-NE 3.45Å; D398-R406 IonicContact OD1-NH2 2.78Å; D398-R406 PolarHBondContact OD1-NH2 3.19Å; D398-R406 IonicContact OD2-CZ 3.45Å; D398-R406 IonicContact OD2-NE 3.5Å; D398-R406 PolarHBondContact OD2-NE 3.37Å; D398-R406 IonicContact OD2-NH2 2.94Å; D398-R406 PolarHBondContact OD2-NH2 3.14Å; A400-R406 HydrophobicContact CB-CB 4.07Å; R406-V419 HydrophobicContact CG-CG1 3.66Å; R406-F420 WeakPolarHBondContact CA-O 3.37Å; R406-L421 HydrophobicContact CB-CD1 4Å
407I98.6Very high96Very high2 Ų260.7 Ų60.71%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-135.8152.2178.962172.5000111.5L375 M395 Q396 I397 I405 A409 V419 F420 I422L375-I407 HydrophobicContact CD1-CD1 3.95Å; M395-I407 HydrophobicContact CE-CB 4.46Å; M395-I407 HydrophobicContact CE-CD1 4.24Å; Q396-I407 VanDerWaalsContact O-CA 3.3Å; Q396-I407 WeakPolarHBondContact O-CA 3.23Å; I397-I407 HydrophobicContact CB-CG2 4.16Å; I397-I407 HydrophobicContact CD1-CG2 4.18Å; I397-I407 HydrophobicContact CG1-CG2 3.92Å; I405-I407 HydrophobicContact CG2-CG2 3.88Å; I407-A409 HydrophobicContact CD1-CB 4.22Å; I407-V419 WeakPolarHBondContact O-CA 3.39Å; I407-F420 HydrophobicContact CG1-CB 4.08Å; I407-F420 PolarHBondContact N-O 3.25Å; I407-F420 PolarHBondContact O-N 3.25Å; I407-I422 HydrophobicContact CD1-CD1 3.72Å; I407-I422 HydrophobicContact CG1-CD1 4.39Å
408T98.4Very high96Very high25 Ų2562.2 Ų62.215%0.15332%0.324CS..EExtended strand (participates in β ladder)trans-85133155.5510000109.2W392 M395 Q396 V417 K418 V419W392-T408 VanDerWaalsContact CH2-O 3.31Å; W392-T408 WeakPolarHBondContact CH2-O 3.46Å; M395-T408 WeakPolarHBondContact CE-O 3.5Å; M395-T408 WeakPolarHBondContact CG-O 3.36Å; Q396-T408 HydrophobicContact CB-CG2 3.89Å; Q396-T408 HydrophobicContact CG-CG2 4.2Å; Q396-T408 PolarHBondContact N-OG1 3.33Å; Q396-T408 PolarHBondContact O-N 3.02Å; Q396-T408 PolarHBondContact O-OG1 2.89Å; T408-V417 HydrophobicContact CG2-CG1 4.27Å; T408-K418 WeakPolarHBondContact CA-O 3.49Å; T408-V419 HydrophobicContact CG2-CG2 4.45Å
409A98Very high96Very high0 Ų062.5 Ų62.50%033%0.327CS..EExtended strand (participates in β ladder)trans-142.8158.6175.600000111.2L387 T389 I407 V417 K418 F420L387-A409 HydrophobicContact CD1-CB 3.97Å; T389-A409 HydrophobicContact CG2-CB 3.72Å; I407-A409 HydrophobicContact CD1-CB 4.22Å; A409-V417 WeakPolarHBondContact O-CA 3.28Å; A409-K418 PolarHBondContact N-O 3.11Å; A409-K418 PolarHBondContact O-N 3.11Å; A409-F420 HydrophobicContact CB-CD2 3.67Å; A409-F420 HydrophobicContact CB-CE2 3.79Å
410M96.6Very high96.1Very high80 Ų8058.1 Ų58.139%0.39431%0.308SS..EExtended strand (participates in β ladder)trans-71.4129.5167.8-61.5-62.8-77.100109.1T389 W392 Q415 V417T389-M410 PolarHBondContact OG1-N 3.3Å; W392-M410 HydrophobicContact CZ3-CG 4.48Å; M410-Q415 WeakPolarHBondContact CE-O 3.38Å; M410-V417 HydrophobicContact SD-CG2 3.54Å; M410-V417 VanDerWaalsContact SD-CG2 3.54Å
411D95.4Very high96.1Very high8 Ų857.2 Ų57.24%0.04330%0.296CS..  trans-85.8145.4176.1-170.824.7000112.2E413 Q415 G416 K418 F420D411-E413 VanDerWaalsContact C-N 3.33Å; D411-E413 PolarHBondContact O-N 3.38Å; D411-Q415 WeakPolarHBondContact O-CA 3.32Å; D411-Q415 PolarHBondContact O-N 3Å; D411-G416 PolarHBondContact N-O 2.99Å; D411-K418 HydrophobicContact CB-CD 3.83Å; D411-K418 HydrophobicContact CB-CG 4.11Å; D411-K418 WeakPolarHBondContact OD2-CD 3.5Å; D411-K418 VanDerWaalsContact OD2-CE 3.26Å; D411-K418 WeakPolarHBondContact OD2-CE 3.36Å; D411-K418 IonicContact OD2-NZ 2.74Å; D411-K418 PolarHBondContact OD2-NZ 3.25Å; D411-F420 HydrophobicContact CB-CE2 4.47Å; D411-F420 HydrophobicContact CB-CZ 3.98Å
412T90.7Very high96.1Very high53 Ų5354.8 Ų54.833%0.32528%0.279SS..THydrogen-bonded Turntrans-79.5-14.6-17662.70000113.7R353 N388R353-T412 PolarHBondContact NH2-OG1 3.17Å; N388-T412 HydrophobicContact CB-CG2 4.12Å
413E88.7Confident96.2Very high113 Ų11350.9 Ų50.953%0.52827%0.265SS..THydrogen-bonded Turntrans-96.8-56.2-179.4-76168.4-174.500111.2R353 D411R353-E413 VanDerWaalsContact CZ-CD 3.48Å; R353-E413 IonicContact CZ-OE1 3.2Å; R353-E413 IonicContact CZ-OE2 3.18Å; R353-E413 IonicContact NH1-OE1 2.73Å; R353-E413 PolarHBondContact NH1-OE1 3.22Å; R353-E413 IonicContact NH1-OE2 2.71Å; R353-E413 PolarHBondContact NH1-OE2 3.41Å; R353-E413 IonicContact NH2-OE1 2.79Å; R353-E413 PolarHBondContact NH2-OE1 3.13Å; R353-E413 IonicContact NH2-OE2 2.79Å; R353-E413 PolarHBondContact NH2-OE2 3.05Å; D411-E413 VanDerWaalsContact C-N 3.33Å; D411-E413 PolarHBondContact O-N 3.38Å
414D89.2Confident96.2Very high111 Ų11146.4 Ų46.459%0.59425%0.249SC*.THydrogen-bonded Turntrans-91.9-7.3-174.4-60.2-6.5000114G416 K418D414-G416 PolarHBondContact O-N 2.88Å; D414-K418 VanDerWaalsContact CG-NZ 3.33Å; D414-K418 IonicContact OD1-NZ 2.74Å; D414-K418 WeakPolarHBondContact OD2-CE 3.43Å; D414-K418 IonicContact OD2-NZ 2.84Å; D414-K418 PolarHBondContact OD2-NZ 3.06Å
415Q88.1Confident96.2Very high160 Ų16048.3 Ų48.375%0.74826%0.263SS*.  trans55.36.4-169.5-59.1-174.359.300115.7M410 D411M410-Q415 WeakPolarHBondContact CE-O 3.38Å; D411-Q415 WeakPolarHBondContact O-CA 3.32Å; D411-Q415 PolarHBondContact O-N 3Å
416G94.3Very high96.1Very high31 Ų3150 Ų5032%0.3228%0.275SS..SBendtrans-86.3158.8174.500000113.6D411 D414 K418D411-G416 PolarHBondContact N-O 2.99Å; D414-G416 PolarHBondContact O-N 2.88Å; G416-K418 PolarHBondContact O-N 3.18Å
417V96.7Very high96.1Very high87 Ų8752.8 Ų52.853%0.52729%0.289SS..EExtended strand (participates in β ladder)trans-71.1118.4169.8-178.90000109.4W392 T408 A409 M410W392-V417 HydrophobicContact CH2-CG1 4.44Å; W392-V417 HydrophobicContact CZ2-CG1 4.4Å; T408-V417 HydrophobicContact CG2-CG1 4.27Å; A409-V417 WeakPolarHBondContact O-CA 3.28Å; M410-V417 HydrophobicContact SD-CG2 3.54Å; M410-V417 VanDerWaalsContact SD-CG2 3.54Å
418K97.4Very high96.1Very high54 Ų5455 Ų5524%0.23530%0.301CS..EExtended strand (participates in β ladder)trans-116.5160.8172.5-65.3-174.2-174.2169.90111V342 T408 A409 D411 D414 G416 F420V342-K418 HydrophobicContact CG2-CB 4.02Å; V342-K418 HydrophobicContact CG2-CD 3.83Å; T408-K418 WeakPolarHBondContact CA-O 3.49Å; A409-K418 PolarHBondContact N-O 3.11Å; A409-K418 PolarHBondContact O-N 3.11Å; D411-K418 HydrophobicContact CB-CD 3.83Å; D411-K418 HydrophobicContact CB-CG 4.11Å; D411-K418 WeakPolarHBondContact OD2-CD 3.5Å; D411-K418 VanDerWaalsContact OD2-CE 3.26Å; D411-K418 WeakPolarHBondContact OD2-CE 3.36Å; D411-K418 IonicContact OD2-NZ 2.74Å; D411-K418 PolarHBondContact OD2-NZ 3.25Å; D414-K418 VanDerWaalsContact CG-NZ 3.33Å; D414-K418 IonicContact OD1-NZ 2.74Å; D414-K418 WeakPolarHBondContact OD2-CE 3.43Å; D414-K418 IonicContact OD2-NZ 2.84Å; D414-K418 PolarHBondContact OD2-NZ 3.06Å; G416-K418 PolarHBondContact O-N 3.18Å; K418-F420 HydrophobicContact CB-CD2 4.28Å; K418-F420 HydrophobicContact CB-CE2 3.67Å; K418-F420 HydrophobicContact CB-CZ 4.14Å; K418-F420 WeakPolarHBondContact O-CD2 3.45Å
419V98Very high96.1Very high54 Ų5454 Ų5433%0.32730%0.295SS..EExtended strand (participates in β ladder)trans-92.5125.9172.8-174.70000108.9F343 W350 R406 I407 T408F343-V419 HydrophobicContact CB-CB 4.2Å; F343-V419 PolarHBondContact N-O 3.09Å; W350-V419 HydrophobicContact CH2-CG1 3.94Å; W350-V419 HydrophobicContact CZ3-CG1 4.42Å; R406-V419 HydrophobicContact CG-CG1 3.66Å; I407-V419 WeakPolarHBondContact O-CA 3.39Å; T408-V419 HydrophobicContact CG2-CG2 4.45Å
420F98.6Very high96.2Very high0 Ų055.2 Ų55.20%031%0.308CS..EExtended strand (participates in β ladder)trans-118.2153.9179.6-65.7-97.4000111.2L340 F341 V342 L387 R406 I407 A409 D411 K418L340-F420 HydrophobicContact CD1-CB 3.96Å; L340-F420 HydrophobicContact CD1-CD1 3.84Å; L340-F420 HydrophobicContact CD1-CG 4.28Å; L340-F420 HydrophobicContact CD2-CD1 4.17Å; L340-F420 HydrophobicContact CD2-CE1 4.39Å; L340-F420 HydrophobicContact CG-CD1 4.03Å; F341-F420 CarbonylContact O-C 3.54Å; F341-F420 VanDerWaalsContact O-CA 3.22Å; F341-F420 WeakPolarHBondContact O-CA 3.48Å; F341-F420 WeakPolarHBondContact O-CB 3.22Å; V342-F420 HydrophobicContact CB-CD1 3.92Å; V342-F420 HydrophobicContact CB-CE1 3.9Å; V342-F420 HydrophobicContact CG2-CD1 4.1Å; V342-F420 HydrophobicContact CG2-CE1 3.87Å; V342-F420 HydrophobicContact CG2-CZ 4.18Å; L387-F420 HydrophobicContact CD1-CE1 4.49Å; L387-F420 HydrophobicContact CD1-CE2 4.47Å; L387-F420 HydrophobicContact CD1-CZ 4.34Å; R406-F420 WeakPolarHBondContact CA-O 3.37Å; I407-F420 HydrophobicContact CG1-CB 4.08Å; I407-F420 PolarHBondContact N-O 3.25Å; I407-F420 PolarHBondContact O-N 3.25Å; A409-F420 HydrophobicContact CB-CD2 3.67Å; A409-F420 HydrophobicContact CB-CE2 3.79Å; D411-F420 HydrophobicContact CB-CE2 4.47Å; D411-F420 HydrophobicContact CB-CZ 3.98Å; K418-F420 HydrophobicContact CB-CD2 4.28Å; K418-F420 HydrophobicContact CB-CE2 3.67Å; K418-F420 HydrophobicContact CB-CZ 4.14Å; K418-F420 WeakPolarHBondContact O-CD2 3.45Å
421L98.7Very high96.2Very high26 Ų2656.9 Ų56.914%0.13632%0.315CS..EExtended strand (participates in β ladder)trans-121.1119.4171.2-169.776.6000108.8F341 W350 A400 I405 R406F341-L421 HydrophobicContact CB-CB 4.27Å; F341-L421 HydrophobicContact CD2-CD2 4.49Å; F341-L421 PolarHBondContact N-O 3.43Å; F341-L421 PolarHBondContact O-N 3.46Å; W350-L421 HydrophobicContact CD2-CB 4.26Å; W350-L421 HydrophobicContact CD2-CD2 4.36Å; W350-L421 HydrophobicContact CE3-CB 3.77Å; W350-L421 HydrophobicContact CH2-CB 3.88Å; W350-L421 HydrophobicContact CZ2-CB 4.36Å; W350-L421 HydrophobicContact CZ3-CB 3.57Å; A400-L421 HydrophobicContact CB-CD1 4.04Å; I405-L421 WeakPolarHBondContact O-CA 3.04Å; R406-L421 HydrophobicContact CB-CD1 4Å
422I98.8Very high96.4Very high2 Ų256.5 Ų56.51%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-97.1120.2173.6-63166.3000107M336 C338 L340 L358 L375 S404 I405 I407 L432M336-I422 HydrophobicContact CE-CG2 4.46Å; C338-I422 HydrophobicContact CB-CG2 4.08Å; L340-I422 HydrophobicContact CD1-CG1 3.84Å; L358-I422 HydrophobicContact CD2-CD1 3.92Å; L358-I422 HydrophobicContact CD2-CG2 3.9Å; L375-I422 HydrophobicContact CD1-CD1 4.49Å; S404-I422 CarbonylContact C-O 3.51Å; S404-I422 WeakPolarHBondContact CA-O 3.26Å; I405-I422 PolarHBondContact N-O 2.74Å; I405-I422 PolarHBondContact O-N 3.27Å; I407-I422 HydrophobicContact CD1-CD1 3.72Å; I407-I422 HydrophobicContact CG1-CD1 4.39Å; I422-L432 HydrophobicContact CD1-CD2 4.17Å; I422-L432 HydrophobicContact CG2-CD2 3.97Å
423S98.7Very high96.8Very high39 Ų3957.2 Ų57.227%0.27331%0.31SS..EExtended strand (participates in β ladder)trans-118131.8177.2-175.70000112.1C338 K339 K403C338-S423 WeakPolarHBondContact CA-O 3.32Å; C338-S423 VanDerWaalsContact CB-O 3.29Å; C338-S423 WeakPolarHBondContact CB-O 3.2Å; K339-S423 PolarHBondContact N-O 3.48Å; K339-S423 PolarHBondContact O-N 3.08Å; K403-S423 WeakPolarHBondContact O-CA 3.35Å; K403-S423 PolarHBondContact O-OG 3.39Å; K403-S423 VanDerWaalsContact O-OG 3.09Å
424A98.7Very high97.2Very high17 Ų1753.8 Ų53.814%0.1430%0.301CS..  trans-153.3-166.1-17100000112.1M336 C338 K403 D428M336-A424 HydrophobicContact CE-CB 3.2Å; C338-A424 HydrophobicContact CB-CB 3.93Å; K403-A424 WeakPolarHBondContact CB-O 3.42Å; K403-A424 PolarHBondContact O-N 3.35Å; K403-A424 VanDerWaalsContact O-N 3.1Å; A424-D428 HydrophobicContact CB-CB 4.27Å
425S98.5Very high97.7Very high53 Ų5349.3 Ų49.337%0.37128%0.279SS..  trans-69.5158.2168.989.40000111K427 D428 T429S425-K427 PolarHBondContact O-N 3.19Å; S425-K427 PolarHBondContact OG-N 3.18Å; S425-D428 VanDerWaalsContact CB-OD2 3.27Å; S425-D428 WeakPolarHBondContact CB-OD2 3.44Å; S425-D428 PolarHBondContact O-N 3.06Å; S425-D428 PolarHBondContact OG-N 2.79Å; S425-D428 PolarHBondContact OG-OD2 2.99Å; S425-T429 WeakPolarHBondContact O-CB 3.2Å; S425-T429 PolarHBondContact O-N 3.49Å; S425-T429 PolarHBondContact O-OG1 3.1Å
426S98.3Very high98.2Very high37 Ų3741.7 Ų41.726%0.25924%0.244SC..Hα-helixtrans-59.3-34.9178-49.20000112.9E402 K403 G430E402-S426 WeakPolarHBondContact OE1-CB 3.36Å; E402-S426 PolarHBondContact OE1-OG 3.17Å; K403-S426 WeakPolarHBondContact CE-OG 3.46Å; K403-S426 WeakPolarHBondContact CG-OG 3.29Å; S426-G430 PolarHBondContact O-N 3.09Å; S426-G430 VanDerWaalsContact O-N 3.07Å
427K98.4Very high98.3Very high156 Ų15643.9 Ų43.968%0.67825%0.246SC*.Hα-helixtrans-65.5-52.4177.8-176.4-174.1177.6-173.30110.2S425 G430 Q431S425-K427 PolarHBondContact O-N 3.19Å; S425-K427 PolarHBondContact OG-N 3.18Å; K427-G430 PolarHBondContact O-N 3.27Å; K427-G430 VanDerWaalsContact O-N 3.15Å; K427-Q431 WeakPolarHBondContact O-CG 3.47Å; K427-Q431 PolarHBondContact O-N 3.04Å
428D98.5Very high98.3Very high50 Ų5045.6 Ų45.627%0.26725%0.247SC..Hα-helixtrans-69.3-38.4-176-43.8-43.5000110.9M336 A424 S425 G430 Q431 L432M336-D428 HydrophobicContact CB-CB 4.06Å; M336-D428 HydrophobicContact CE-CB 3.58Å; M336-D428 HydrophobicContact SD-CB 3.95Å; A424-D428 HydrophobicContact CB-CB 4.27Å; S425-D428 VanDerWaalsContact CB-OD2 3.27Å; S425-D428 WeakPolarHBondContact CB-OD2 3.44Å; S425-D428 PolarHBondContact O-N 3.06Å; S425-D428 PolarHBondContact OG-N 2.79Å; S425-D428 PolarHBondContact OG-OD2 2.99Å; D428-G430 VanDerWaalsContact C-N 3.28Å; D428-G430 PolarHBondContact O-N 3.38Å; D428-Q431 PolarHBondContact O-N 3.01Å; D428-L432 VanDerWaalsContact O-CB 3.25Å; D428-L432 WeakPolarHBondContact O-CB 3.33Å; D428-L432 PolarHBondContact O-N 2.79Å
429T98.7Very high98.3Very high2 Ų244.9 Ų44.91%0.01224%0.243CC..Hα-helixtrans-56.9-41.8170.9-51.20000111.3E402 K403 I405 S425 Y433E402-T429 WeakPolarHBondContact O-CB 3.24Å; E402-T429 WeakPolarHBondContact O-CG2 3.42Å; K403-T429 WeakPolarHBondContact CA-OG1 3.22Å; I405-T429 HydrophobicContact CD1-CG2 4.42Å; I405-T429 HydrophobicContact CG1-CG2 3.7Å; S425-T429 WeakPolarHBondContact O-CB 3.2Å; S425-T429 PolarHBondContact O-N 3.49Å; S425-T429 PolarHBondContact O-OG1 3.1Å; T429-Y433 WeakPolarHBondContact O-CB 3.38Å; T429-Y433 PolarHBondContact O-N 3.4Å; T429-Y433 VanDerWaalsContact O-N 3.08Å
430G98.4Very high98.2Very high27 Ų2742.5 Ų42.528%0.27823%0.228SC..Hα-helixtrans-65.3-48.417600000113.1S426 K427 D428 Y433 A434S426-G430 PolarHBondContact O-N 3.09Å; S426-G430 VanDerWaalsContact O-N 3.07Å; K427-G430 PolarHBondContact O-N 3.27Å; K427-G430 VanDerWaalsContact O-N 3.15Å; D428-G430 VanDerWaalsContact C-N 3.28Å; D428-G430 PolarHBondContact O-N 3.38Å; G430-Y433 PolarHBondContact O-N 3.29Å; G430-A434 PolarHBondContact O-N 3.2Å; G430-A434 VanDerWaalsContact O-N 3.11Å
431Q98.5Very high98.1Very high115 Ų11546.9 Ų46.954%0.53725%0.252SS..Hα-helixtrans-64.3-47-179.5-67.2-65-35.300112L334 K427 D428 A434 A435L334-Q431 HydrophobicContact CD1-CB 3.72Å; K427-Q431 WeakPolarHBondContact O-CG 3.47Å; K427-Q431 PolarHBondContact O-N 3.04Å; D428-Q431 PolarHBondContact O-N 3.01Å; Q431-A434 PolarHBondContact O-N 2.99Å; Q431-A435 VanDerWaalsContact O-CB 3.31Å; Q431-A435 WeakPolarHBondContact O-CB 3.43Å; Q431-A435 PolarHBondContact O-N 3.32Å
432L98.6Very high97.9Very high0 Ų048.5 Ų48.50%027%0.268CS..Hα-helixtrans-62.7-43.1177.3-179.664.7000111.9L334 M336 L358 L375 I405 I422 D428 A435 L436L334-L432 HydrophobicContact CD2-CD1 4.34Å; M336-L432 HydrophobicContact CE-CD2 4Å; M336-L432 HydrophobicContact SD-CB 3.71Å; M336-L432 HydrophobicContact SD-CD1 4.37Å; M336-L432 HydrophobicContact SD-CD2 3.63Å; M336-L432 HydrophobicContact SD-CG 4.1Å; L358-L432 HydrophobicContact CD2-CD1 4.43Å; L358-L432 HydrophobicContact CD2-CD2 3.63Å; L375-L432 HydrophobicContact CD2-CD1 4.06Å; I405-L432 HydrophobicContact CD1-CB 3.89Å; I405-L432 HydrophobicContact CD1-CD2 3.72Å; I405-L432 HydrophobicContact CD1-CG 3.69Å; I422-L432 HydrophobicContact CD1-CD2 4.17Å; I422-L432 HydrophobicContact CG2-CD2 3.97Å; D428-L432 VanDerWaalsContact O-CB 3.25Å; D428-L432 WeakPolarHBondContact O-CB 3.33Å; D428-L432 PolarHBondContact O-N 2.79Å; L432-A435 PolarHBondContact O-N 3.08Å; L432-L436 HydrophobicContact CD1-CD1 3.77Å; L432-L436 HydrophobicContact CD1-CG 3.96Å; L432-L436 HydrophobicContact CD2-CD1 4.49Å; L432-L436 HydrophobicContact CG-CD1 3.81Å; L432-L436 HydrophobicContact CG-CG 4.36Å; L432-L436 WeakPolarHBondContact O-CB 3.32Å; L432-L436 VanDerWaalsContact O-CG 3.29Å; L432-L436 WeakPolarHBondContact O-CG 3.28Å; L432-L436 PolarHBondContact O-N 3.47Å
433Y98.7Very high97.7Very high67 Ų6750 Ų5026%0.26328%0.277SS..Hα-helixtrans-61.8-46.8178.8-176-97.8000111.5I397 K399 I405 T429 G430 H437I397-Y433 HydrophobicContact CD1-CD2 4.05Å; I397-Y433 HydrophobicContact CD1-CE2 4.3Å; I397-Y433 HydrophobicContact CG1-CD2 3.98Å; I397-Y433 HydrophobicContact CG1-CE2 3.84Å; K399-Y433 HydrophobicContact CB-CD2 4Å; K399-Y433 HydrophobicContact CB-CE2 3.95Å; K399-Y433 HydrophobicContact CB-CG 4.42Å; I405-Y433 HydrophobicContact CD1-CD2 4.41Å; I405-Y433 HydrophobicContact CG2-CD2 4.11Å; T429-Y433 WeakPolarHBondContact O-CB 3.38Å; T429-Y433 PolarHBondContact O-N 3.4Å; T429-Y433 VanDerWaalsContact O-N 3.08Å; G430-Y433 PolarHBondContact O-N 3.29Å; Y433-H437 WeakPolarHBondContact O-CB 3.48Å; Y433-H437 PolarHBondContact O-N 2.8Å
434A98.4Very high97.6Very high41 Ų4153 Ų5334%0.33928%0.282SS..Hα-helixtrans-61.7-48.9176.400000111.7G430 Q431 L436 H437 H438G430-A434 PolarHBondContact O-N 3.2Å; G430-A434 VanDerWaalsContact O-N 3.11Å; Q431-A434 PolarHBondContact O-N 2.99Å; A434-L436 VanDerWaalsContact C-N 3.34Å; A434-L436 PolarHBondContact O-N 3.14Å; A434-H437 PolarHBondContact O-N 3.28Å; A434-H438 PolarHBondContact O-CD2 3.44Å; A434-H438 PolarHBondContact O-N 3.34Å
435A98.3Very high97.3Very high17 Ų1754.5 Ų54.514%0.1429%0.291CS..Hα-helixtrans-60.9-40-17800000112.8L360 Q431 L432 R439L360-A435 HydrophobicContact CD2-CB 3.61Å; Q431-A435 VanDerWaalsContact O-CB 3.31Å; Q431-A435 WeakPolarHBondContact O-CB 3.43Å; Q431-A435 PolarHBondContact O-N 3.32Å; L432-A435 PolarHBondContact O-N 3.08Å; A435-R439 VanDerWaalsContact O-CD 3.31Å; A435-R439 WeakPolarHBondContact O-CD 3.44Å; A435-R439 WeakPolarHBondContact O-CG 3.47Å; A435-R439 PolarHBondContact O-N 2.99Å; A435-R439 PolarHBondContact O-NH1 3.43Å
436L98.3Very high97Very high1 Ų156 Ų561%0.00529%0.289CS..Hα-helixtrans-72-43174.7-69.3174.6000112.3L360 L375 L391 I397 L432 A434 H438 R439 I440L360-L436 HydrophobicContact CD1-CD2 3.99Å; L360-L436 HydrophobicContact CD2-CD2 4.36Å; L375-L436 HydrophobicContact CD1-CD1 4Å; L375-L436 HydrophobicContact CD1-CD2 3.95Å; L375-L436 HydrophobicContact CD2-CD2 4.06Å; L375-L436 HydrophobicContact CG-CD2 4.02Å; L391-L436 HydrophobicContact CD1-CD2 3.57Å; L391-L436 HydrophobicContact CD2-CD2 3.78Å; L391-L436 HydrophobicContact CG-CD2 4.35Å; I397-L436 HydrophobicContact CD1-CB 3.41Å; I397-L436 VanDerWaalsContact CD1-CB 3.41Å; I397-L436 HydrophobicContact CD1-CD1 3.66Å; I397-L436 HydrophobicContact CD1-CG 4.19Å; L432-L436 HydrophobicContact CD1-CD1 3.77Å; L432-L436 HydrophobicContact CD1-CG 3.96Å; L432-L436 HydrophobicContact CD2-CD1 4.49Å; L432-L436 HydrophobicContact CG-CD1 3.81Å; L432-L436 HydrophobicContact CG-CG 4.36Å; L432-L436 WeakPolarHBondContact O-CB 3.32Å; L432-L436 VanDerWaalsContact O-CG 3.29Å; L432-L436 WeakPolarHBondContact O-CG 3.28Å; L432-L436 PolarHBondContact O-N 3.47Å; A434-L436 VanDerWaalsContact C-N 3.34Å; A434-L436 PolarHBondContact O-N 3.14Å; L436-H438 PolarHBondContact O-N 3.1Å; L436-R439 PolarHBondContact O-N 3.29Å; L436-I440 HydrophobicContact CB-CD1 4.46Å; L436-I440 WeakPolarHBondContact O-CB 3.48Å; L436-I440 WeakPolarHBondContact O-CG1 3.24Å; L436-I440 PolarHBondContact O-N 3.06Å
437H97.6Very high96.7Very high77 Ų7756.1 Ų56.136%0.35629%0.288SS..Hα-helixtrans-58.9-45.3179.7-176.9-90.4000111.7Y433 A434 R439 I440 L441Y433-H437 WeakPolarHBondContact O-CB 3.48Å; Y433-H437 PolarHBondContact O-N 2.8Å; A434-H437 PolarHBondContact O-N 3.28Å; H437-R439 PolarHBondContact O-N 3.47Å; H437-I440 PolarHBondContact O-N 3.07Å; H437-L441 VanDerWaalsContact O-CB 3.25Å; H437-L441 WeakPolarHBondContact O-CB 3.44Å; H437-L441 PolarHBondContact O-N 2.67Å
438H97Very high96.4Very high122 Ų12255 Ų5557%0.56529%0.285SS*.Hα-helixtrans-62.6-40176.5-75.6-68.6000113.2A434 L436 A442A434-H438 PolarHBondContact O-CD2 3.44Å; A434-H438 PolarHBondContact O-N 3.34Å; L436-H438 PolarHBondContact O-N 3.1Å; H438-A442 WeakPolarHBondContact O-CB 3.19Å; H438-A442 PolarHBondContact O-N 3.14Å
439R96.5Very high96Very high40 Ų4058.6 Ų58.615%0.15130%0.3CS..Hα-helixtrans-68.8-44.3178.6-74.6160.7177.269.813.4112D362 S373 L391 A435 L436 H437 L441 A442 L443D362-R439 IonicContact OD1-CZ 3.38Å; D362-R439 IonicContact OD1-NE 3.73Å; D362-R439 PolarHBondContact OD1-NE 2.95Å; D362-R439 IonicContact OD1-NH2 2.66Å; D362-R439 IonicContact OD2-CZ 3.17Å; D362-R439 IonicContact OD2-NE 3.42Å; D362-R439 PolarHBondContact OD2-NE 3.24Å; D362-R439 IonicContact OD2-NH2 3.71Å; D362-R439 PolarHBondContact OD2-NH2 2.87Å; S373-R439 WeakPolarHBondContact OG-CD 3.44Å; S373-R439 PolarHBondContact OG-NE 3.46Å; L391-R439 HydrophobicContact CD1-CB 3.78Å; A435-R439 VanDerWaalsContact O-CD 3.31Å; A435-R439 WeakPolarHBondContact O-CD 3.44Å; A435-R439 WeakPolarHBondContact O-CG 3.47Å; A435-R439 PolarHBondContact O-N 2.99Å; A435-R439 PolarHBondContact O-NH1 3.43Å; L436-R439 PolarHBondContact O-N 3.29Å; H437-R439 PolarHBondContact O-N 3.47Å; R439-L441 VanDerWaalsContact C-N 3.33Å; R439-L441 PolarHBondContact O-N 3.44Å; R439-A442 PolarHBondContact O-N 3.34Å; R439-L443 VanDerWaalsContact O-CG 3.31Å; R439-L443 WeakPolarHBondContact O-CG 3.12Å; R439-L443 PolarHBondContact O-N 3.25Å
440I96.5Very high95.5Very high3 Ų363 Ų632%0.01532%0.321CS..Hα-helixtrans-66.9-36.3177.3-67163.3000110.7M395 I397 L436 H437 L443 R444M395-I440 HydrophobicContact CB-CD1 4.14Å; M395-I440 HydrophobicContact CB-CG1 4.38Å; M395-I440 HydrophobicContact CG-CD1 4.22Å; M395-I440 HydrophobicContact SD-CD1 3.79Å; M395-I440 HydrophobicContact SD-CG1 4.32Å; I397-I440 HydrophobicContact CB-CD1 4.25Å; I397-I440 HydrophobicContact CD1-CD1 4.49Å; I397-I440 HydrophobicContact CG2-CD1 3.68Å; L436-I440 HydrophobicContact CB-CD1 4.46Å; L436-I440 WeakPolarHBondContact O-CB 3.48Å; L436-I440 WeakPolarHBondContact O-CG1 3.24Å; L436-I440 PolarHBondContact O-N 3.06Å; H437-I440 PolarHBondContact O-N 3.07Å; I440-L443 PolarHBondContact O-N 3.29Å; I440-R444 VanDerWaalsContact O-CG 3.3Å; I440-R444 WeakPolarHBondContact O-CG 3.22Å; I440-R444 PolarHBondContact O-N 2.93Å
441L96.1Very high94.9Very high93 Ų9367.6 Ų67.649%0.48734%0.335SS..Hα-helixtrans-62.2-48.3172.5-171.674.6000111.6H437 R439 L443 R444 S445H437-L441 VanDerWaalsContact O-CB 3.25Å; H437-L441 WeakPolarHBondContact O-CB 3.44Å; H437-L441 PolarHBondContact O-N 2.67Å; R439-L441 VanDerWaalsContact C-N 3.33Å; R439-L441 PolarHBondContact O-N 3.44Å; L441-L443 VanDerWaalsContact C-N 3.33Å; L441-L443 PolarHBondContact O-N 2.71Å; L441-R444 WeakPolarHBondContact O-CB 3.45Å; L441-R444 PolarHBondContact O-N 2.85Å; L441-R444 VanDerWaalsContact O-N 3.12Å; L441-S445 PolarHBondContact O-N 3.19Å; L441-S445 PolarHBondContact O-OG 3.48Å
442A95.1Very high94.3Very high59 Ų5969 Ų6949%0.48834%0.341SS..Hα-helixtrans-60.3-41177.800000112.4H438 R439 S445 R446H438-A442 WeakPolarHBondContact O-CB 3.19Å; H438-A442 PolarHBondContact O-N 3.14Å; R439-A442 PolarHBondContact O-N 3.34Å; A442-S445 WeakPolarHBondContact CA-OG 3.22Å; A442-S445 PolarHBondContact O-N 3.26Å; A442-S445 PolarHBondContact O-OG 2.93Å; A442-R446 PolarHBondContact O-N 3.04Å
443L94.9Very high93.6Very high35 Ų3573.3 Ų73.318%0.18338%0.377CS..Hα-helixtrans-64.2-37.2174.2-70.7168.7000112.4L391 A393 R439 I440 L441 R446 V447L391-L443 HydrophobicContact CB-CD1 3.95Å; L391-L443 WeakPolarHBondContact O-CD1 3.34Å; A393-L443 HydrophobicContact CB-CB 4.12Å; R439-L443 VanDerWaalsContact O-CG 3.31Å; R439-L443 WeakPolarHBondContact O-CG 3.12Å; R439-L443 PolarHBondContact O-N 3.25Å; I440-L443 PolarHBondContact O-N 3.29Å; L441-L443 VanDerWaalsContact C-N 3.33Å; L441-L443 PolarHBondContact O-N 2.71Å; L443-R446 PolarHBondContact O-N 3.02Å; L443-V447 WeakPolarHBondContact O-CG2 3.19Å; L443-V447 PolarHBondContact O-N 2.85Å; L443-V447 VanDerWaalsContact O-N 3.13Å
444R95.4Very high92.5Very high100 Ų10078.6 Ų78.638%0.37740%0.401SS..Hα-helixtrans-63.7-49.3173.4-72.2169.1-170.91804.5111.2A393 M395 I440 L441 R446 V447 E448A393-R444 HydrophobicContact CB-CG 3.95Å; A393-R444 VanDerWaalsContact O-CG 3.28Å; A393-R444 WeakPolarHBondContact O-CG 3.45Å; A393-R444 PolarHBondContact O-NE 2.81Å; M395-R444 PolarHBondContact O-NH2 2.97Å; M395-R444 VanDerWaalsContact O-NH2 3.09Å; I440-R444 VanDerWaalsContact O-CG 3.3Å; I440-R444 WeakPolarHBondContact O-CG 3.22Å; I440-R444 PolarHBondContact O-N 2.93Å; L441-R444 WeakPolarHBondContact O-CB 3.45Å; L441-R444 PolarHBondContact O-N 2.85Å; L441-R444 VanDerWaalsContact O-N 3.12Å; R444-R446 VanDerWaalsContact C-N 3.27Å; R444-R446 PolarHBondContact O-N 3.42Å; R444-V447 PolarHBondContact O-N 3.07Å; R444-V447 VanDerWaalsContact O-N 3.16Å; R444-E448 WeakPolarHBondContact O-CB 3.29Å; R444-E448 PolarHBondContact O-N 3.48Å
445S93.7Very high90.9Very high49 Ų4983.5 Ų83.534%0.34342%0.419SS..Hα-helixtrans-63-30.317849.30000113.4L441 A442 Q449L441-S445 PolarHBondContact O-N 3.19Å; L441-S445 PolarHBondContact O-OG 3.48Å; A442-S445 WeakPolarHBondContact CA-OG 3.22Å; A442-S445 PolarHBondContact O-N 3.26Å; A442-S445 PolarHBondContact O-OG 2.93Å; S445-Q449 WeakPolarHBondContact O-CG 3.23Å; S445-Q449 PolarHBondContact O-N 3.17Å; S445-Q449 VanDerWaalsContact O-N 3.15Å; S445-Q449 PolarHBondContact O-NE2 3.02Å
446R91.3Very high89.3Confident86 Ų8688.5 Ų88.533%0.32545%0.45SS..Hα-helixtrans-64.6-52.1171.2179.4178.9175.1166.212110.7D368 T370 A442 L443 R444 E448 Q449 E450D368-R446 IonicContact OD2-CZ 3.55Å; D368-R446 IonicContact OD2-NH1 3.28Å; D368-R446 PolarHBondContact OD2-NH1 2.92Å; D368-R446 IonicContact OD2-NH2 3.19Å; D368-R446 PolarHBondContact OD2-NH2 2.97Å; T370-R446 VanDerWaalsContact CB-NH1 3.32Å; T370-R446 PolarHBondContact OG1-NH1 3.21Å; A442-R446 PolarHBondContact O-N 3.04Å; L443-R446 PolarHBondContact O-N 3.02Å; R444-R446 VanDerWaalsContact C-N 3.27Å; R444-R446 PolarHBondContact O-N 3.42Å; R446-E448 VanDerWaalsContact C-N 3.26Å; R446-E448 PolarHBondContact O-N 2.97Å; R446-Q449 PolarHBondContact O-N 3.48Å; R446-E450 HydrophobicContact CG-CG 4.4Å; R446-E450 WeakPolarHBondContact CG-OE1 3.4Å; R446-E450 IonicContact CZ-OE1 3.35Å; R446-E450 IonicContact NE-OE1 2.71Å; R446-E450 PolarHBondContact NE-OE1 2.74Å; R446-E450 IonicContact NH2-OE1 3.97Å; R446-E450 PolarHBondContact NH2-OE1 2.8Å; R446-E450 WeakPolarHBondContact O-CB 3.35Å; R446-E450 WeakPolarHBondContact O-CG 3.42Å; R446-E450 PolarHBondContact O-N 3.39Å
447V92.1Very high87.7Confident38 Ų3892.5 Ų92.523%0.2348%0.483CS..Hα-helixtrans-63.1-32.8-179.4171.30000112.2A393 L443 R444 Q451A393-V447 HydrophobicContact CB-CB 4.36Å; A393-V447 HydrophobicContact CB-CG2 3.88Å; L443-V447 WeakPolarHBondContact O-CG2 3.19Å; L443-V447 PolarHBondContact O-N 2.85Å; L443-V447 VanDerWaalsContact O-N 3.13Å; R444-V447 PolarHBondContact O-N 3.07Å; R444-V447 VanDerWaalsContact O-N 3.16Å; V447-Q451 WeakPolarHBondContact O-CB 3.48Å; V447-Q451 VanDerWaalsContact O-CG 3.26Å; V447-Q451 WeakPolarHBondContact O-CG 3.44Å; V447-Q451 PolarHBondContact O-N 3.18Å; V447-Q451 VanDerWaalsContact O-N 3.09Å
448E92.7Very high85.8Confident133 Ų13394.8 Ų94.862%0.62151%0.505SS*.Hα-helixtrans-67.8-48.3175.7-167.6164-15400111.4R444 R446 E450 Q451 E452R444-E448 WeakPolarHBondContact O-CB 3.29Å; R444-E448 PolarHBondContact O-N 3.48Å; R446-E448 VanDerWaalsContact C-N 3.26Å; R446-E448 PolarHBondContact O-N 2.97Å; E448-E450 PolarHBondContact O-N 3.12Å; E448-Q451 PolarHBondContact O-N 2.98Å; E448-Q451 VanDerWaalsContact O-N 3.16Å; E448-E452 PolarHBondContact O-N 3.15Å
449Q89.4Confident84.1Confident125 Ų12597.3 Ų97.358%0.58452%0.517SS*.Hα-helixtrans-61.1-40.3173-76.3165.692.200112.7S445 R446 Q451 E452 A453S445-Q449 WeakPolarHBondContact O-CG 3.23Å; S445-Q449 PolarHBondContact O-N 3.17Å; S445-Q449 VanDerWaalsContact O-N 3.15Å; S445-Q449 PolarHBondContact O-NE2 3.02Å; R446-Q449 PolarHBondContact O-N 3.48Å; Q449-Q451 VanDerWaalsContact C-N 3.25Å; Q449-Q451 PolarHBondContact O-N 3.48Å; Q449-E452 PolarHBondContact O-N 3.39Å; Q449-A453 VanDerWaalsContact O-CB 3.24Å; Q449-A453 WeakPolarHBondContact O-CB 3.3Å; Q449-A453 PolarHBondContact O-N 2.78Å
450E87.9Confident82.1Confident95 Ų95101.3 Ų101.344%0.44455%0.548SS..Hα-helixtrans-67.8-23.1176.8-73.5172.5168.600113.1R446 E448 K454R446-E450 HydrophobicContact CG-CG 4.4Å; R446-E450 WeakPolarHBondContact CG-OE1 3.4Å; R446-E450 IonicContact CZ-OE1 3.35Å; R446-E450 IonicContact NE-OE1 2.71Å; R446-E450 PolarHBondContact NE-OE1 2.74Å; R446-E450 IonicContact NH2-OE1 3.97Å; R446-E450 PolarHBondContact NH2-OE1 2.8Å; R446-E450 WeakPolarHBondContact O-CB 3.35Å; R446-E450 WeakPolarHBondContact O-CG 3.42Å; R446-E450 PolarHBondContact O-N 3.39Å; E448-E450 PolarHBondContact O-N 3.12Å; E450-K454 WeakPolarHBondContact O-CB 3.28Å
451Q86.9Confident79.9Confident123 Ų123104.5 Ų104.558%0.57558%0.581SS**Hα-helixtrans-84.6-45173-74.7174.620.600111.7V447 E448 Q449 K454 M455V447-Q451 WeakPolarHBondContact O-CB 3.48Å; V447-Q451 VanDerWaalsContact O-CG 3.26Å; V447-Q451 WeakPolarHBondContact O-CG 3.44Å; V447-Q451 PolarHBondContact O-N 3.18Å; V447-Q451 VanDerWaalsContact O-N 3.09Å; E448-Q451 PolarHBondContact O-N 2.98Å; E448-Q451 VanDerWaalsContact O-N 3.16Å; Q449-Q451 VanDerWaalsContact C-N 3.25Å; Q449-Q451 PolarHBondContact O-N 3.48Å; Q451-K454 PolarHBondContact O-N 2.94Å; Q451-K454 VanDerWaalsContact O-N 3.09Å; Q451-M455 PolarHBondContact O-N 3.35Å; Q451-M455 VanDerWaalsContact O-N 3.15Å
452E84.7Confident77.6Confident144 Ų144104.8 Ų104.867%0.67360%0.597SS**Hα-helixtrans-59.9-47.5176.8-173.4174-162.400111.2E448 Q449 K454 M455E448-E452 PolarHBondContact O-N 3.15Å; Q449-E452 PolarHBondContact O-N 3.39Å; E452-K454 PolarHBondContact O-N 3.46Å; E452-K454 VanDerWaalsContact O-N 3.1Å; E452-M455 PolarHBondContact O-N 3.12Å; E452-M455 VanDerWaalsContact O-N 3.16Å
453A83.8Confident75.2Confident91 Ų91105.9 Ų105.975%0.75261%0.607SS**THydrogen-bonded Turntrans-65.9-11.5176.700000114.4Q449Q449-A453 VanDerWaalsContact O-CB 3.24Å; Q449-A453 WeakPolarHBondContact O-CB 3.3Å; Q449-A453 PolarHBondContact O-N 2.78Å
454K76.5Confident73.1Confident178 Ų178109.8 Ų109.877%0.77463%0.634SS**THydrogen-bonded Turntrans-104.1-8.3178.1-167.9164.6-176.6172.80113.3E450 Q451 E452E450-K454 WeakPolarHBondContact O-CB 3.28Å; Q451-K454 PolarHBondContact O-N 2.94Å; Q451-K454 VanDerWaalsContact O-N 3.09Å; E452-K454 PolarHBondContact O-N 3.46Å; E452-K454 VanDerWaalsContact O-N 3.1Å
455M64.5Low70.7Confident145 Ų145109.6 Ų109.671%0.71465%0.648SS**SBendtrans-72.3122.1166.3-71.9-179.756.400108.5Q451 E452 A457Q451-M455 PolarHBondContact O-N 3.35Å; Q451-M455 VanDerWaalsContact O-N 3.15Å; E452-M455 PolarHBondContact O-N 3.12Å; E452-M455 VanDerWaalsContact O-N 3.16Å; M455-A457 PolarHBondContact O-N 2.89Å
456P64.1Low68.5Low121 Ų121114.3 Ų114.379%0.78667%0.669SS**PPolyproline II helixtrans-61.8137.5172.327.3-33.2000108.7
457A64.2Low66.7Low85 Ų85118.1 Ų118.170%0.70269%0.691SS**PPolyproline II helixtrans-54.8141.2171.200000109.1M455 E459M455-A457 PolarHBondContact O-N 2.89Å; A457-E459 PolarHBondContact O-N 2.83Å
458P59.6Low64.6Low125 Ų125126.1 Ų126.181%0.81273%0.726SS**PPolyproline II helixtrans-59.6119.1172.925.7-32.6000108
459E59.9Low62.9Low176 Ų176127.3 Ų127.382%0.82274%0.736SS**PPolyproline II helixtrans-47.8135.2167.5-76.5-103.8107.900108.3A457 G461A457-E459 PolarHBondContact O-N 2.83Å; E459-G461 PolarHBondContact O-N 3.47Å
460P55.8Low61.2Low124 Ų124128.1 Ų128.181%0.80575%0.745SS**  trans-66.791.4176.727.9-33.3000108.2A462P460-A462 PolarHBondContact O-N 3.37Å
461G49.4Very low59.9Low69 Ų69128.9 Ų128.971%0.71176%0.76SS**PPolyproline II helixtrans-49.8133.2-175.500000110.3E459 A463E459-G461 PolarHBondContact O-N 3.47Å; G461-A463 PolarHBondContact O-N 3.01Å
462A47.7Very low58.3Low99 Ų99129.8 Ų129.882%0.81877%0.769SS**PPolyproline II helixtrans-46.3133.7-171.800000111.1P460P460-A462 PolarHBondContact O-N 3.37Å
463A45.7Very low57.2Low83 Ų83130.6 Ų130.669%0.68678%0.778SS**PPolyproline II helixtrans-52.2137.1172.300000108.7G461 S465G461-A463 PolarHBondContact O-N 3.01Å; A463-S465 VanDerWaalsContact C-N 3.32Å; A463-S465 PolarHBondContact O-N 2.83Å
464P49.8Very low56Low117 Ų117133.5 Ų133.576%0.7678%0.781SS**  trans-65.698174.427.6-33000108.2N466P464-N466 PolarHBondContact O-N 3.05Å
465S44.9Very low55.1Low96 Ų96132.2 Ų132.267%0.67178%0.783SS**  trans-69.670.515955.80000107.8A463 E467A463-S465 VanDerWaalsContact C-N 3.32Å; A463-S465 PolarHBondContact O-N 2.83Å; S465-E467 PolarHBondContact O-N 3.44Å
466N47.7Very low54.5Low147 Ų147130.7 Ų130.779%0.78678%0.781SS**  trans-6498.2152-91.735.9000105P464 E468P464-N466 PolarHBondContact O-N 3.05Å; N466-E468 PolarHBondContact O-N 3.36Å
467E54.2Low54Low167 Ų167133.4 Ų133.478%0.7879%0.788SS**  trans-63.4132.5175.6-59.8-176.2179.200108S465 D469S465-E467 PolarHBondContact O-N 3.44Å; E467-D469 PolarHBondContact O-N 3.31Å
468E46.2Very low53.3Low205 Ų205133.5 Ų133.596%0.95879%0.789SS**  trans-73.593.8175.3-63.9177.8157.400107.5N466N466-E468 PolarHBondContact O-N 3.36Å
469D58.4Low52.9Low158 Ų158133.4 Ų133.485%0.84579%0.788SS**  trans-114.5143.2169.8-162.218.6000110.5E467E467-D469 PolarHBondContact O-N 3.31Å
470D53.8Low52.1Low143 Ų143131.4 Ų131.477%0.76579%0.794SS**  trans-125.2110.8-149.6-175.827.8000110.5
471S60.5Low51.5Low110 Ų110129.3 Ų129.377%0.76980%0.795SS**  trans-155100.5172.6-167.20000111
472D52.4Low51.4Low142 Ų142130.3 Ų130.376%0.75980%0.797SS**  trans-57147150.1-68.6-52.1000110.1
473D62.7Low51.1Low162 Ų162132.4 Ų132.487%0.86680%0.799SS**  trans-172.5143.9134.5-107-25.7000109.8
474D58.1Low51.1Low151 Ų151133.7 Ų133.781%0.80781%0.81SS**  trans-76.3148.6-172.5-62.4-93.2000114.7
475D57.5Low50.9Low152 Ų152133.6 Ų133.681%0.81382%0.819SS**  -160.2152.6108.3-144.4-30.9000112.1
476V52.5Low51Low113 Ų113132.3 Ų132.369%0.68582%0.821SS**  trans-133.3111-171177.30000111.7
477L53.2Low51.2Low177 Ų177130.7 Ų130.793%0.92783%0.828SS**  trans-133.4105.4165.8-75178.4000112.8
478A49Very low50.9Low88 Ų88126.4 Ų126.473%0.72783%0.829SS**  trans-102160.7170.200000111.3
479P50.8Low51.6Low122 Ų122124.8 Ų124.879%0.79283%0.827SS**  trans-101.1157.3-158.237.8-36.2000115.6
480S43.7Very low51.4Low135 Ų135126.4 Ų126.494%0.94483%0.829SS**  trans-168.9152.6152.6-88.50000113.4
481G43.4Very low51.5Low80 Ų80123.3 Ų123.383%0.82583%0.831SS**  trans116.7130.2171.100000115.3
482A46.6Very low51.1Low90 Ų90126.8 Ų126.874%0.74484%0.841SS**  cis172.7111.9-3000000106.9
483T41.4Very low51.2Low142 Ų142123.4 Ų123.487%0.87184%0.84SS**  trans35.1117.6150.357.30000121.6
484A45.7Very low50.7Low111 Ų111123.8 Ų123.892%0.91784%0.837SS**  trans-159.1158.4136.100000110.8
485A45.7Very low50Low114 Ų114123.3 Ų123.394%0.94284%0.84SS**  trans-115160.7-168.200000115.1
486G46.7Very low50Low70 Ų70122 Ų12272%0.72284%0.837SS**  trans155.8106.9171.700000109.2
487A52.6Low50.1Low112 Ų112120 Ų12093%0.92684%0.839SS**  57.5116.372.200000112.6
488G47.6Very low50.2Low78 Ų78117.2 Ų117.280%0.80483%0.834SS**  cis157.3149.3-4.200000110.5
489D62.4Low50.4Low171 Ų171122.9 Ų122.991%0.91486%0.86SS**  trans-158158172.3-156.98.2000111.4
490E53.7Low50.4Low192 Ų192123 Ų12390%0.89786%0.864SS**  trans-113.5145.3-179.1-69.5-178.188.600111.8
491G55.6Low50.8Low78 Ų78122.3 Ų122.380%0.80486%0.86SS**  trans-162.6109.8179.500000113.8
492D52.6Low51.2Low182 Ų182124.7 Ų124.797%0.97386%0.862SS**  trans-65.9147.9178.5-98.1-55.6000113.6
493G53.2Low51.4Low72 Ų72126.7 Ų126.774%0.74287%0.868SS**  trans-154.719.2-170.900000117.6
494Q52.3Low52.1Low169 Ų169125.8 Ų125.879%0.7987%0.868SS**  trans29.4115.5160.6-168.8169.14.400120
495T43.4Very low52.5Low142 Ų142126.7 Ų126.787%0.87187%0.865SS**  trans-96.2128.6171.543.30000113.9
496T58.8Low53Low125 Ų125127.6 Ų127.677%0.76786%0.86SS**  trans-148.9147.7164.353.10000108
497G54.9Low53.5Low70 Ų70132.1 Ų132.172%0.72287%0.87SS**  cis136.2113.33.100000110.7
498S54.9Low53.5Low118 Ų118133.8 Ų133.883%0.82587%0.866SS**  trans72.9115.6174.2-152.50000118.3
499T53.3Low54.1Low208 Ų208138.8 Ų138.8100%1.27687%0.871SS**  -142.90113.3-520000107.4

Retrieved 499 of 499 residues in 99.3 ms (Link to these results)