A0A087X7V8_POEFO Loading...

Homeobox B4a

Sequence-specific transcription factor which is part of a developmental regulatory system that provides cells with specific positional identities on the anterior-posterior axis.

AlphaFold DB , UniProt , Accession A0A087X7V8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 262 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.3Low55Low242 Ų242152.9 Ų152.9100%1.19282%0.823SS**  0119.30-69.6166173.200107.9
2T51.9Low55.1Low140 Ų140155.9 Ų155.986%0.85982%0.816SS**  trans-91.3136.6173.340.10000109.4S4T2-S4 PolarHBondContact O-N 3.11Å
3M53.1Low56Low179 Ų179153.6 Ų153.688%0.88281%0.812SS**  trans-86.7105.6176.6-69.5-8872.300109.2S5M3-S5 PolarHBondContact O-N 3.46Å
4S49.4Very low56.9Low98 Ų98151 Ų15169%0.68580%0.799SS**  trans-68.7109.3174.7-170.20000109.9T2 Y6T2-S4 PolarHBondContact O-N 3.11Å; S4-Y6 PolarHBondContact O-N 3.38Å
5S53.5Low57.3Low102 Ų102145.3 Ų145.371%0.71377%0.774SS**  trans-82.2102.4176.656.50000110.1M3 L7M3-S5 PolarHBondContact O-N 3.46Å; S5-L7 PolarHBondContact O-N 2.98Å
6Y53Low58.5Low215 Ų215148.6 Ų148.684%0.84378%0.779SS**  trans-63.896.3169.2-72.5-94000110.1S4 I8S4-Y6 PolarHBondContact O-N 3.38Å; Y6-I8 PolarHBondContact O-N 2.8Å; Y6-I8 VanDerWaalsContact O-N 3.17Å
7L67.4Low58.7Low152 Ų152149.5 Ų149.580%0.79678%0.776SS**  trans-69.9104.3158.4-71.9177.2000107.1S5S5-L7 PolarHBondContact O-N 2.98Å
8I58Low59.5Low142 Ų142144.9 Ų144.973%0.72876%0.757SS**  trans-62.2136173.6-153.275.1000108.4Y6 S10Y6-I8 PolarHBondContact O-N 2.8Å; Y6-I8 VanDerWaalsContact O-N 3.17Å; I8-S10 PolarHBondContact O-N 3.03Å
9N51.9Low59.8Low160 Ų160142.1 Ų142.186%0.85675%0.748SS**  trans-71.572.7-177.9-70.849.1000111.8
10S53.7Low59.6Low91 Ų91140.4 Ų140.464%0.63675%0.747SS**  trans-77.7119.1164.5-650000109.2I8 Y12I8-S10 PolarHBondContact O-N 3.03Å; S10-Y12 PolarHBondContact O-N 3.47Å
11N58Low59.6Low161 Ų161141.3 Ų141.386%0.86175%0.747SS**  trans-66.984.1166-75.3-55.2000109V13N11-V13 VanDerWaalsContact C-N 3.29Å; N11-V13 PolarHBondContact O-N 3.39Å
12Y56.1Low59.6Low189 Ų189136.3 Ų136.374%0.74172%0.721SS**  trans-74.985.6176.2-165.1-86.5000108.9S10 D14S10-Y12 PolarHBondContact O-N 3.47Å; Y12-D14 PolarHBondContact O-N 3.03Å
13V66.8Low59.7Low126 Ų126139 Ų13976%0.76472%0.717SS**  trans-67.5103.1167.2-179.30000106.8N11N11-V13 VanDerWaalsContact C-N 3.29Å; N11-V13 PolarHBondContact O-N 3.39Å
14D68.1Low59.8Low117 Ų117134.7 Ų134.763%0.62670%0.704SS**  trans-56.7122.9173.9-173.443.2000108.9Y12 K16Y12-D14 PolarHBondContact O-N 3.03Å; D14-K16 PolarHBondContact O-N 3.42Å
15P62.7Low60.1Low66 Ų66136 Ų13643%0.42970%0.7SS.*  trans-65.3102.7-176.624.8-33.7000109.7F17P15-F17 VanDerWaalsContact C-N 3.29Å; P15-F17 HydrophobicContact CB-CE2 4.4Å; P15-F17 HydrophobicContact CG-CE2 4.01Å; P15-F17 HydrophobicContact CG-CZ 4.46Å; P15-F17 WeakPolarHBondContact O-CD2 3.02Å; P15-F17 PolarHBondContact O-N 3.21Å
16K77.7Confident59.9Low197 Ų197136.1 Ų136.186%0.85770%0.7SS**  trans-62.986.2177.1-172.281.6178.7-172.70110.1D14D14-K16 PolarHBondContact O-N 3.42Å
17F61.5Low59.9Low164 Ų164132.1 Ų132.172%0.71969%0.693SS**PPolyproline II helixtrans-57.3136171.4-69.9-83.1000109.6P15P15-F17 VanDerWaalsContact C-N 3.29Å; P15-F17 HydrophobicContact CB-CE2 4.4Å; P15-F17 HydrophobicContact CG-CE2 4.01Å; P15-F17 HydrophobicContact CG-CZ 4.46Å; P15-F17 WeakPolarHBondContact O-CD2 3.02Å; P15-F17 PolarHBondContact O-N 3.21Å
18P72.2Confident59.2Low68 Ų68135.3 Ų135.344%0.44270%0.696SS.*PPolyproline II helixtrans-56.4148.9174.5-25.935000111.8C20P18-C20 PolarHBondContact O-N 3.31Å
19P66.6Low58.9Low90 Ų90135.3 Ų135.358%0.58470%0.697SS**PPolyproline II helixtrans-58133.2172.2-1931.5000110.4E21 E22P19-E21 PolarHBondContact O-N 3.11Å; P19-E22 PolarHBondContact O-N 2.78Å
20C55.7Low58.7Low108 Ų108132.3 Ų132.373%0.7369%0.687SS**G310 helixtrans-63-11.1-175.9-62.80000114.6P18 E22 Y23P18-C20 PolarHBondContact O-N 3.31Å; C20-E22 VanDerWaalsContact C-N 3.31Å; C20-E22 PolarHBondContact O-N 2.9Å; C20-Y23 PolarHBondContact O-N 3.32Å
21E59.9Low58.6Low160 Ų160134 Ų13475%0.74870%0.698SS**G310 helixtrans-62.7-36.3178.2-62.4-179134.900112P19 Y23 S24P19-E21 PolarHBondContact O-N 3.11Å; E21-Y23 PolarHBondContact O-N 3.44Å; E21-S24 WeakPolarHBondContact O-CB 3.35Å; E21-S24 PolarHBondContact O-N 3.43Å; E21-S24 PolarHBondContact O-OG 3.37Å
22E53.9Low58.3Low137 Ų137134 Ų13464%0.6469%0.693SS**G310 helixtrans-69.7-20.7179.2-159.8169.2-148.900112.5P19 C20 S24P19-E22 PolarHBondContact O-N 2.78Å; C20-E22 VanDerWaalsContact C-N 3.31Å; C20-E22 PolarHBondContact O-N 2.9Å; E22-S24 VanDerWaalsContact C-N 3.26Å; E22-S24 PolarHBondContact O-N 3.17Å
23Y54.7Low57.7Low196 Ų196128.5 Ų128.577%0.76968%0.682SS**G310 helixtrans-80.2-0.7171.5-81.8-77.5000114.1C20 E21C20-Y23 PolarHBondContact O-N 3.32Å; E21-Y23 PolarHBondContact O-N 3.44Å
24S55.3Low57Low89 Ų89128 Ų12862%0.62268%0.681SS**G310 helixtrans-86.7-4.7175.173.20000114.3E21 E22 S26E21-S24 WeakPolarHBondContact O-CB 3.35Å; E21-S24 PolarHBondContact O-N 3.43Å; E21-S24 PolarHBondContact O-OG 3.37Å; E22-S24 VanDerWaalsContact C-N 3.26Å; E22-S24 PolarHBondContact O-N 3.17Å; S24-S26 PolarHBondContact O-N 2.97Å; S24-S26 VanDerWaalsContact O-N 3.07Å
25Q54.9Low56.2Low127 Ų127127.4 Ų127.459%0.59368%0.678SS**  trans-71.3102.8176.4-99.3168.1-59.500111.6D27Q25-D27 PolarHBondContact O-N 3.38Å
26S50.4Low55.7Low104 Ų104133.5 Ų133.573%0.72769%0.694SS**G310 helixtrans-61.2-4.7-173.6-53.90000116S24 Y28S24-S26 PolarHBondContact O-N 2.97Å; S24-S26 VanDerWaalsContact O-N 3.07Å; S26-Y28 VanDerWaalsContact C-N 3.34Å; S26-Y28 PolarHBondContact O-N 3.26Å
27D52.9Low54.3Low130 Ų130134 Ų13470%0.69569%0.692SS**G310 helixtrans-83.4-6.4-165.2-50.4-64.4000114.1Q25 L29Q25-D27 PolarHBondContact O-N 3.38Å; D27-L29 VanDerWaalsContact C-N 3.27Å; D27-L29 PolarHBondContact O-N 2.68Å
28Y51.3Low53.6Low219 Ų219128.8 Ų128.886%0.85968%0.684SS**G310 helixtrans-81.83.5177.9-95.9-77.3000115.1S26 P30S26-Y28 VanDerWaalsContact C-N 3.34Å; S26-Y28 PolarHBondContact O-N 3.26Å; Y28-P30 WeakPolarHBondContact O-CD 3.42Å
29L52Low52.1Low143 Ų143131.3 Ų131.375%0.74970%0.703SS**SBendtrans-99.1109.3160.1-69.2179.3000108.8D27 S31D27-L29 VanDerWaalsContact C-N 3.27Å; D27-L29 PolarHBondContact O-N 2.68Å; L29-S31 PolarHBondContact O-N 3.31Å
30P49.4Very low51.2Low97 Ų97135.1 Ų135.163%0.6371%0.713SS**  trans-50.9136.7163.2-24.934.7000109.5Y28 H32Y28-P30 WeakPolarHBondContact O-CD 3.42Å; P30-H32 VanDerWaalsContact C-N 3.26Å; P30-H32 PolarHBondContact O-CD2 2.72Å; P30-H32 PolarHBondContact O-N 2.74Å
31S50Low51.1Low126 Ų126140.7 Ų140.788%0.88172%0.719SS**  trans-67.980.9-175.940.10000111.7L29 S33L29-S31 PolarHBondContact O-N 3.31Å; S31-S33 PolarHBondContact O-N 2.78Å; S31-S33 VanDerWaalsContact O-N 3.12Å
32H51.4Low50.3Low160 Ų160142.5 Ų142.574%0.74173%0.727SS**  trans-57116.1167.4-73.2-74.2000108.7P30P30-H32 VanDerWaalsContact C-N 3.26Å; P30-H32 PolarHBondContact O-CD2 2.72Å; P30-H32 PolarHBondContact O-N 2.74Å
33S45.2Very low49.5Very low74 Ų74142.7 Ų142.752%0.51773%0.733SS.*  trans-53.3137.5-175-1530000110.9S31 D35 Y36S31-S33 PolarHBondContact O-N 2.78Å; S31-S33 VanDerWaalsContact O-N 3.12Å; S33-D35 VanDerWaalsContact CB-OD2 3.27Å; S33-D35 WeakPolarHBondContact CB-OD2 3.44Å; S33-D35 PolarHBondContact O-N 3.02Å; S33-D35 PolarHBondContact OG-OD2 2.84Å; S33-Y36 PolarHBondContact O-N 3.4Å
34P51.7Low49.3Very low115 Ų115139.8 Ų139.875%0.74774%0.738SS**THydrogen-bonded Turntrans-53.1-25.2-176-28.235.9000114.4Y36P34-Y36 VanDerWaalsContact C-N 3.3Å; P34-Y36 PolarHBondContact O-N 3.21Å
35D50.9Low49Very low106 Ų106139 Ų13957%0.56774%0.737SS**Hα-helixtrans-62.1-30.2-175.1-41-82.8000113.5S33 Y37 G38S33-D35 VanDerWaalsContact CB-OD2 3.27Å; S33-D35 WeakPolarHBondContact CB-OD2 3.44Å; S33-D35 PolarHBondContact O-N 3.02Å; S33-D35 PolarHBondContact OG-OD2 2.84Å; D35-Y37 VanDerWaalsContact C-N 3.27Å; D35-Y37 PolarHBondContact O-N 3.42Å; D35-G38 PolarHBondContact O-N 3.19Å; D35-G38 VanDerWaalsContact O-N 3.12Å
36Y52.1Low48.7Very low193 Ų193137.4 Ų137.476%0.75775%0.746SS**Hα-helixtrans-65-26.5-170.1-167.4-92.7000114.2S33 P34S33-Y36 PolarHBondContact O-N 3.4Å; P34-Y36 VanDerWaalsContact C-N 3.3Å; P34-Y36 PolarHBondContact O-N 3.21Å
37Y47.6Very low48.1Very low209 Ų209142.2 Ų142.282%0.8275%0.754SS**Hα-helixtrans-113.2-0173.2-78.5-78.3000113.4D35D35-Y37 VanDerWaalsContact C-N 3.27Å; D35-Y37 PolarHBondContact O-N 3.42Å
38G47Very low47.7Very low53 Ų53146.4 Ų146.455%0.54676%0.76SS.*Hα-helixtrans-75.6-34-174.300000114.7D35 Q40D35-G38 PolarHBondContact O-N 3.19Å; D35-G38 VanDerWaalsContact O-N 3.12Å; G38-Q40 PolarHBondContact O-N 3.23Å
39S40.5Very low47.1Very low121 Ų121141.2 Ų141.285%0.84675%0.753SS**THydrogen-bonded Turntrans-71.416.7-167.8-49.80000116.6
40Q48Very low46.4Very low171 Ų171140.3 Ų140.380%0.79975%0.753SS**THydrogen-bonded Turntrans-144.545.7-179.2-150.4173.640.300117.2G38G38-Q40 PolarHBondContact O-N 3.23Å
41R53.1Low45.9Very low225 Ų225139.3 Ų139.385%0.84975%0.749SS**SBendtrans-160.172.6145.6-89.2-49.6145.8160.3-2.4114
42Q44.8Very low45.2Very low197 Ų197139.1 Ų139.192%0.92174%0.741SS**  trans-16892.9148-114.1151.4104.500112.6
43D36.8Very low44.4Very low142 Ų142140.4 Ų140.476%0.75974%0.741SS**  -166.7137.1123.4-125.6-26.3000109.6A45D43-A45 VanDerWaalsContact C-N 3.26Å; D43-A45 PolarHBondContact O-N 3.1Å
44P50Low44Very low134 Ų134145.9 Ų145.987%0.8776%0.758SS**SBendtrans-9236.117837-33000112.4
45A48.2Very low43.2Very low73 Ų73145.9 Ų145.960%0.60375%0.752SS**SBendtrans-139.2159.2-179.700000112.1D43 F47D43-A45 VanDerWaalsContact C-N 3.26Å; D43-A45 PolarHBondContact O-N 3.1Å; A45-F47 PolarHBondContact O-N 3Å
46A49.5Very low42.3Very low94 Ų94147.2 Ų147.278%0.77776%0.755SS**  trans5943.2163.400000118.7
47F38.3Very low41.7Very low205 Ų205146 Ų14690%0.89976%0.756SS**  trans-12592.6143.2-108.5-82.4000111.7A45 P49A45-F47 PolarHBondContact O-N 3Å; F47-P49 WeakPolarHBondContact O-CD 3.49Å
48R45.1Very low41.4Very low218 Ų218143.3 Ų143.382%0.82376%0.755SS**  trans-63.8125.7167.3-69-96.2-169.8153.92.5108.2V50R48-V50 PolarHBondContact O-N 3.48Å
49P38.3Very low41.2Very low109 Ų109146 Ų14671%0.70876%0.763SS**  trans-62.2122.2150.428.1-30.3000106.5F47 S51F47-P49 WeakPolarHBondContact O-CD 3.49Å; P49-S51 PolarHBondContact O-N 2.99Å
50V36.3Very low40.9Very low125 Ų125143.8 Ų143.876%0.75875%0.752SS**  trans-77.373.6171.6-1750000107.9R48 V52R48-V50 PolarHBondContact O-N 3.48Å; V50-V52 VanDerWaalsContact C-N 3.29Å; V50-V52 HydrophobicContact CG1-CG2 3.91Å; V50-V52 PolarHBondContact O-N 2.99Å
51S39.3Very low40.5Very low76 Ų76144.9 Ų144.953%0.53176%0.757SS.*  trans-66.593.1161.654.60000107.5P49 Y53P49-S51 PolarHBondContact O-N 2.99Å; S51-Y53 PolarHBondContact O-N 3.01Å
52V35.7Very low39.8Very low121 Ų121141.4 Ų141.473%0.73375%0.75SS**  trans-68.387.4166.3-176.70000107.1V50 H54V50-V52 VanDerWaalsContact C-N 3.29Å; V50-V52 HydrophobicContact CG1-CG2 3.91Å; V50-V52 PolarHBondContact O-N 2.99Å; V52-H54 PolarHBondContact O-N 2.7Å; V52-H54 VanDerWaalsContact O-N 3.17Å
53Y35Very low39.4Very low187 Ų187141.2 Ų141.273%0.73375%0.749SS**  trans-66.7107.8158.5-73.9-84.5000107.2S51S51-Y53 PolarHBondContact O-N 3.01Å
54H36.7Very low39.5Very low189 Ų189142.3 Ų142.388%0.87575%0.749SS**  trans-106.9109.3134.6-103.934.2000107.3V52V52-H54 PolarHBondContact O-N 2.7Å; V52-H54 VanDerWaalsContact O-N 3.17Å
55N33.7Very low38.8Very low116 Ų116147.8 Ų147.862%0.6275%0.753SS**  trans-102.4169.5176.8-17239.6000108.5
56E32.8Very low38.4Very low133 Ų133151.5 Ų151.562%0.62176%0.762SS**  trans74.5156.1171.5-49.2-63.784.100118.2
57H39Very low37.8Very low167 Ų167154.4 Ų154.477%0.77376%0.759SS**  trans71.766.8164-49.9111000119
58N42.3Very low38.2Very low153 Ų153150 Ų15082%0.81875%0.751SS**  trans-69.6130.1130177.211.5000108A60N58-A60 PolarHBondContact OD1-N 2.74Å
59P42.9Very low38.6Very low110 Ų110143.1 Ų143.171%0.71474%0.735SS**  -137.7126.3122.934.9-23000114.3
60A34.2Very low38.2Very low74 Ų74147.9 Ų147.961%0.61274%0.74SS**  trans30.4116.4140.400000118.9N58N58-A60 PolarHBondContact OD1-N 2.74Å
61H38.4Very low38.7Very low194 Ų194147.3 Ų147.390%0.89874%0.737SS**  trans-113122.8140.4-128.1-84.4000109.6
62H37.7Very low39.1Very low153 Ų153149.5 Ų149.571%0.70875%0.749SS**  trans-63.6142.6173.1-72-103.2000110.6
63Q37.6Very low38.9Very low192 Ų192149.8 Ų149.890%0.89776%0.755SS**  -141.8146.6118.8-78.5-144.8-19.300111.3
64H37.8Very low39.3Very low165 Ų165149.4 Ų149.476%0.76476%0.76SS**  trans-69.4141-169.5-63.9-125.1000113.4
65R36Very low39Very low249 Ų249151.7 Ų151.794%0.9476%0.761SS**  -152.3150.6113.2-146.1164.2-179.4139.70.1112.4
66L39.2Very low39.2Very low151 Ų151150.2 Ų150.279%0.79177%0.765SS**  trans-84.8137.6-168.3-60.4163000112.4
67E37.3Very low39.9Very low156 Ų156149.3 Ų149.373%0.72977%0.771SS**  trans-61.4151.6142.9-104.5-80.313300108.6
68P47.7Very low39.9Very low112 Ų112149.2 Ų149.273%0.72777%0.771SS**  -150-161.582.249.9-31000111.9
69P53.2Low40.2Very low73 Ų73147.7 Ų147.747%0.47477%0.769SS.*  -129.2-156.6-120.127.70.2000113.7
70Y30.2Very low39.7Very low209 Ų209146.3 Ų146.382%0.8277%0.767SS**  trans73.2155.1177.9-39.6-72.8000114.1
71T45.2Very low39.8Very low114 Ų114147.9 Ų147.970%0.69977%0.774SS**  cis-150.6147.29.2-30.90000110.3
72P48.1Very low39.7Very low121 Ų121147.5 Ų147.579%0.78677%0.772SS**  trans-86.5108.9170.432.4-32.3000112.4Q74P72-Q74 PolarHBondContact O-N 3.19Å
73C32.8Very low39.5Very low128 Ų128146.5 Ų146.587%0.86578%0.777SS**  trans-83.6108.1179.9-68.50000113
74Q42.9Very low39.4Very low179 Ų179143.4 Ų143.484%0.83677%0.771SS**  trans-94.4152.1155.7-67-176.3-3.500110.5P72P72-Q74 PolarHBondContact O-N 3.19Å
75R30.9Very low39.4Very low236 Ų236140.3 Ų140.389%0.89177%0.768SS**  trans130.6144.9142.8-164.3163.4-71.3-176.9-1.1114.9
76A36.7Very low40.4Very low85 Ų85133.5 Ų133.570%0.70276%0.756SS**  trans-91.2-164.9179.100000110.4
77P47.5Very low40.5Very low115 Ų115133.8 Ų133.875%0.74775%0.753SS**  cis-143.2-174.114.544.3-23.2000118.2
78Q38.8Very low40.2Very low164 Ų164129.4 Ų129.477%0.76675%0.75SS**  trans3.3145.6147.4-57.4-63.80.100119.9
79P48.5Very low40.1Very low121 Ų121131.3 Ų131.379%0.78675%0.748SS**  -129.516662.922.3-0.4000114.7
80A32.6Very low39.5Very low81 Ų81131.9 Ų131.967%0.66976%0.76SS**  cis97.898.520.600000117
81S37.5Very low39.9Very low108 Ų108129.7 Ų129.776%0.75576%0.76SS**  trans-169.9133.2153.4-68.40000104.7
82E35Very low39.7Very low186 Ų186131.7 Ų131.787%0.86977%0.766SS**  61.3130.954.4-58.2-160.8141.200112.2
83V34.7Very low39.9Very low131 Ų131130.5 Ų130.579%0.79476%0.758SS**  cis-116.8-170.65.2-158.70000106.9
84T35.8Very low40.1Very low127 Ų127131.1 Ų131.178%0.77976%0.758SS**  cis-159.9165.519.6-44.80000110.6
85S37.8Very low39.7Very low100 Ų100125.7 Ų125.770%0.69975%0.751SS**  trans-136.5158.7162.4-168.60000107.8
86P56.2Low39.7Very low106 Ų106122.3 Ų122.369%0.68875%0.749SS**  -151.8147.593.538.3-19.2000117.2
87Q40.9Very low39.6Very low158 Ų158126.2 Ų126.274%0.73875%0.753SS**  69.3137.7121.9-165172.5-7.600121.1H89Q87-H89 PolarHBondContact NE2-NE2 3.35Å; Q87-H89 VanDerWaalsContact NE2-NE2 3.11Å
88G30.8Very low38.9Very low63 Ų63126 Ų12665%0.64975%0.749SS**  cis170.9-164.3-700000115.4
89H45.1Very low38.7Very low152 Ų152124.1 Ų124.170%0.70475%0.749SS**  trans59.5113.7163.5-54.3-59000117.8Q87Q87-H89 PolarHBondContact NE2-NE2 3.35Å; Q87-H89 VanDerWaalsContact NE2-NE2 3.11Å
90A42.6Very low39.3Very low86 Ų86123.9 Ų123.971%0.71175%0.748SS**  67.4133.564.800000112.5
91I38.2Very low39.1Very low162 Ų162126.9 Ų126.983%0.83176%0.757SS**  -158.4158.165.1-82.3160.6000111.8
92L40.2Very low38.8Very low157 Ų157126 Ų12682%0.82275%0.751SS**  trans-117151.9167-160.197.4000108.4
93P53.2Low38.6Very low96 Ų96124.9 Ų124.962%0.62375%0.746SS**  -160.9160.899.340.7-21.4000118.5
94T36.4Very low38.4Very low140 Ų140126.1 Ų126.186%0.85974%0.743SS**  trans55.3157.2150.946.10000120.3
95G33.7Very low38.2Very low66 Ų66123.9 Ų123.968%0.6873%0.733SS**  cis169.1141-2.800000106.8
96L31.7Very low38.3Very low165 Ų165128.5 Ų128.586%0.86474%0.743SS**  160.5164.882.9-100.2164.6000108.8
97H34.6Very low37.3Very low166 Ų166133.3 Ų133.377%0.76975%0.747SS**  trans29147.4144.4-111.9-129.1000121.9
98T32.4Very low37.1Very low111 Ų111131.8 Ų131.868%0.68175%0.752SS**  cis-161.7176.917-28.90000110.7
99T35.5Very low37.4Very low125 Ų125134.3 Ų134.377%0.76775%0.751SS**  trans-112.3-172.2163560000110.7
100P59.8Low37.1Very low116 Ų116132.4 Ų132.475%0.75376%0.755SS**  -122.6163.7-55.835.9-22.4000113.4
101V28.7Very low37Very low143 Ų143134.8 Ų134.887%0.86776%0.76SS**  trans-175161160.8132.60000107.2
102S32.2Very low37.6Very low90 Ų90133 Ų13363%0.62976%0.757SS**  cis139.5139.9-22.7-168.60000110.7
103E29.6Very low38.2Very low162 Ų162131 Ų13176%0.75775%0.754SS**  trans61.3152.8177.9-64.7-167.777.700116.7
104Q31.8Very low38.2Very low158 Ų158131.5 Ų131.574%0.73876%0.76SS**  cis-149152.1-11.5-133.3-165.868.300112.4
105S30.5Very low39.5Very low79 Ų79130.4 Ų130.455%0.55275%0.754SS**  trans60.9112.4141.3-159.80000122.1
106H41.4Very low41.2Very low198 Ų198132.7 Ų132.792%0.91776%0.758SS**  -147.3138.5127.3-84.7-52.7000109.9
107R34Very low42.9Very low206 Ų206130.3 Ų130.378%0.77775%0.752SS**  trans-89.4144.8-176.4-64.1166.775.3160.16.7111.9D109R107-D109 IonicContact CZ-OD2 3.19Å; R107-D109 IonicContact NE-OD2 2.78Å; R107-D109 PolarHBondContact NE-OD2 3.08Å; R107-D109 IonicContact NH2-OD2 2.89Å; R107-D109 PolarHBondContact NH2-OD2 2.96Å
108C37.2Very low44.3Very low126 Ų126128 Ų12885%0.85175%0.752SS**  trans-145.4101.2145.5570000109.3
109D38Very low45.8Very low117 Ų117128.1 Ų128.163%0.62675%0.754SS**  trans-70.1136178.7-71.7-78.5000110.6R107R107-D109 IonicContact CZ-OD2 3.19Å; R107-D109 IonicContact NE-OD2 2.78Å; R107-D109 PolarHBondContact NE-OD2 3.08Å; R107-D109 IonicContact NH2-OD2 2.89Å; R107-D109 PolarHBondContact NH2-OD2 2.96Å
110S37.1Very low46.5Very low111 Ų111128.3 Ų128.378%0.77676%0.758SS**  trans-151.997.1174-780000110.6T112S110-T112 PolarHBondContact O-N 3.23Å
111V40.6Very low45.5Very low136 Ų136129.3 Ų129.382%0.82477%0.766SS**  trans-76.4111.5-167.3-175.70000111.1
112T51.2Low46.4Very low125 Ų125125 Ų12577%0.76775%0.751SS**  trans-114.4111.2164.8-58.20000108.9S110 S114S110-T112 PolarHBondContact O-N 3.23Å; T112-S114 PolarHBondContact O-N 3.38Å
113P53.7Low46.9Very low115 Ų115129.9 Ų129.975%0.74776%0.764SS**  trans-76.6111.9179.129.4-32.6000110.9
114S51.8Low47.7Very low107 Ų107128.5 Ų128.575%0.74877%0.766SS**PPolyproline II helixtrans-65.3142.2168.2-67.80000111.1T112T112-S114 PolarHBondContact O-N 3.38Å
115P63.6Low48.2Very low116 Ų116126.4 Ų126.475%0.75377%0.766SS**PPolyproline II helixtrans-69.5149.9171.630.4-34.7000111.1
116P71.1Confident48.9Very low115 Ų115134 Ų13475%0.74778%0.783SS**PPolyproline II helixtrans-70.5155.7177.230.2-35.6000112.1
117P67.6Low49Very low115 Ų115130 Ų13075%0.74778%0.777SS**PPolyproline II helixtrans-66.9151.4172.229.9-35.2000111.4
118P62.8Low49.4Very low117 Ų117128.6 Ų128.676%0.7678%0.78SS**PPolyproline II helixtrans-66.4148.5174.429.2-34.9000111.2
119P63.6Low49.9Very low113 Ų113128.3 Ų128.373%0.73478%0.779SS**PPolyproline II helixtrans-67.6151.4179.628.9-35.5000111.8C121P119-C121 PolarHBondContact O-N 3.42Å
120P50.6Low50.1Low130 Ų130128.9 Ų128.984%0.84479%0.786SS**  trans-67.8107.7173.528.3-33.1000109.9G122P120-G122 PolarHBondContact O-N 2.89Å
121C38.4Very low50.7Low137 Ų137129.3 Ų129.393%0.92679%0.789SS**  trans-73.476.9174.3-167.30000110.5P119P119-C121 PolarHBondContact O-N 3.42Å
122G47.3Very low50.8Low53 Ų53127.6 Ų127.655%0.54678%0.783SS.*  trans-77.6164.4166.400000111.7P120P120-G122 PolarHBondContact O-N 2.89Å
123Q44.3Very low50.6Low192 Ų192127.4 Ų127.490%0.89778%0.784SS**  trans70.768.4175.4-50.6-174.795.500115.7P125Q123-P125 WeakPolarHBondContact O-CD 3.5Å
124T44.7Very low50.4Low132 Ų132127.2 Ų127.281%0.8179%0.792SS**  trans-54.1127.814246.20000109R126T124-R126 PolarHBondContact O-N 3.06Å
125P42.7Very low50.4Low115 Ų115127 Ų12775%0.74779%0.791SS**  trans-57130170.7-24.534.7000110.2Q123 S127Q123-P125 WeakPolarHBondContact O-CD 3.5Å; P125-S127 VanDerWaalsContact C-N 3.32Å; P125-S127 PolarHBondContact O-N 3.26Å
126R45.1Very low50Low239 Ų239126.9 Ų126.990%0.90279%0.793SS**  trans-70.789.3175.9-177.6-175.2179.1-158.10.5108.4T124 Q128T124-R126 PolarHBondContact O-N 3.06Å; R126-Q128 PolarHBondContact O-N 3.32Å; R126-Q128 VanDerWaalsContact O-N 3.07Å
127S43Very low49.2Very low114 Ų114132.8 Ų132.880%0.79780%0.8SS**  trans-48.7116.8179.9-61.70000110.5P125P125-S127 VanDerWaalsContact C-N 3.32Å; P125-S127 PolarHBondContact O-N 3.26Å
128Q42.8Very low49.1Very low176 Ų176133.5 Ų133.582%0.82280%0.802SS**  trans-65.9141.7-179.9-65.1176.40.900109.4R126 V130R126-Q128 PolarHBondContact O-N 3.32Å; R126-Q128 VanDerWaalsContact O-N 3.07Å; Q128-V130 VanDerWaalsContact C-N 3.28Å; Q128-V130 PolarHBondContact O-N 3.03Å
129S47.7Very low49.5Very low119 Ų119134.8 Ų134.883%0.83280%0.803SS**  trans-7480.2178.952.40000110.7S131S129-S131 PolarHBondContact O-N 3.44Å
130V42.5Very low50.2Low130 Ų130134.5 Ų134.579%0.78880%0.801SS**  trans-66.1102.2166.4-108.80000108.7Q128 S132Q128-V130 VanDerWaalsContact C-N 3.28Å; Q128-V130 PolarHBondContact O-N 3.03Å; V130-S132 PolarHBondContact O-N 3.39Å; V130-S132 VanDerWaalsContact O-N 3.13Å
131S50.3Low51.9Low119 Ų119133.1 Ų133.183%0.83279%0.79SS**  trans-74.195.5174.551.80000110.1S129S129-S131 PolarHBondContact O-N 3.44Å
132S41.8Very low54.2Low100 Ų100130.3 Ų130.370%0.69977%0.769SS**  trans-100.7151.2167.1-60.90000110.2V130V130-S132 PolarHBondContact O-N 3.39Å; V130-S132 VanDerWaalsContact O-N 3.13Å
133P47.1Very low56.3Low121 Ų121134 Ų13479%0.78677%0.767SS**  trans-70.7166.5-161.327.6-36000114.4S135P133-S135 PolarHBondContact O-N 3.01Å
134A50.6Low58.4Low111 Ų111129.8 Ų129.892%0.91776%0.756SS**  trans-71.285.1-175.200000113.1
135S50.4Low60.5Low104 Ų104133.3 Ų133.373%0.72776%0.755SS**  trans-72136153.5-61.30000109.6P133 R137P133-S135 PolarHBondContact O-N 3.01Å; S135-R137 PolarHBondContact O-N 3.21Å; S135-R137 VanDerWaalsContact O-N 3.08Å
136S54.9Low62.6Low112 Ų112132.2 Ų132.278%0.78374%0.741SS**  trans-58.2110.1178.234.40000111T138S136-T138 PolarHBondContact O-N 3.13Å
137R56.1Low64.4Low240 Ų240126.7 Ų126.791%0.90672%0.723SS**  trans-73.897.4174.8-67.5-171.2-179-130.4-1.1109.1S135 D139S135-R137 PolarHBondContact O-N 3.21Å; S135-R137 VanDerWaalsContact O-N 3.08Å; R137-D139 PolarHBondContact O-N 3.25Å
138T63.7Low66.2Low129 Ų129127 Ų12779%0.79171%0.71SS**PPolyproline II helixtrans-64.6118.7162.241.20000108.5S136S136-T138 PolarHBondContact O-N 3.13Å
139D71.4Confident67.8Low144 Ų144123.5 Ų123.577%0.7770%0.701SS**PPolyproline II helixtrans-60.3134.1171.8-83.7-45.4000109.4R137 V141R137-D139 PolarHBondContact O-N 3.25Å; D139-V141 PolarHBondContact O-N 2.84Å
140P79.3Confident68.7Low107 Ų107124.5 Ų124.570%0.69569%0.692SS**PPolyproline II helixtrans-64125.4-175.125.1-33.7000110.6V142P140-V142 WeakPolarHBondContact O-CG2 3.43Å; P140-V142 PolarHBondContact O-N 3.12Å
141V86.1Confident69.4Low102 Ų102121 Ų12162%0.61867%0.67SS**  trans-65.198.4-174.9-179.30000110.8D139 Y143D139-V141 PolarHBondContact O-N 2.84Å; V141-Y143 HydrophobicContact CB-CE2 4.42Å; V141-Y143 HydrophobicContact CG1-CD1 4.39Å; V141-Y143 HydrophobicContact CG1-CE1 4.04Å; V141-Y143 HydrophobicContact CG1-CE2 4.24Å; V141-Y143 VanDerWaalsContact O-CD2 3.29Å; V141-Y143 WeakPolarHBondContact O-CD2 3.43Å; V141-Y143 PolarHBondContact O-N 3.04Å
142V87.6Confident69.6Low78 Ų78121.4 Ų121.447%0.47366%0.663SS.*  trans-78.990.4178.8-172.80000110.3P140 M146 K147P140-V142 WeakPolarHBondContact O-CG2 3.43Å; P140-V142 PolarHBondContact O-N 3.12Å; V142-M146 HydrophobicContact CG1-CB 3.98Å; V142-K147 HydrophobicContact CG1-CG 3.88Å; V142-K147 WeakPolarHBondContact O-CE 3.39Å
143Y89.7Confident70.4Confident131 Ų131122.8 Ų122.851%0.51466%0.661SS.*  trans-56.8151.2176.1-63.8-79.9000112.5V141 W145 M146V141-Y143 HydrophobicContact CB-CE2 4.42Å; V141-Y143 HydrophobicContact CG1-CD1 4.39Å; V141-Y143 HydrophobicContact CG1-CE1 4.04Å; V141-Y143 HydrophobicContact CG1-CE2 4.24Å; V141-Y143 VanDerWaalsContact O-CD2 3.29Å; V141-Y143 WeakPolarHBondContact O-CD2 3.43Å; V141-Y143 PolarHBondContact O-N 3.04Å; Y143-W145 AromaticContact CG-NE1 3.95Å; Y143-W145 PolarHBondContact O-N 3.5Å; Y143-W145 VanDerWaalsContact O-N 3.09Å; Y143-M146 HydrophobicContact CD2-SD 3.83Å; Y143-M146 HydrophobicContact CG-SD 4.47Å; Y143-M146 WeakPolarHBondContact O-CB 3.43Å; Y143-M146 PolarHBondContact O-N 3.06Å
144P88.4Confident70.7Confident102 Ų102122 Ų12266%0.66266%0.655SS**G310 helixtrans-55.4-32.4-175.7-28.536000115.2M146 K147P144-M146 VanDerWaalsContact C-N 3.32Å; P144-M146 PolarHBondContact O-N 3.07Å; P144-K147 WeakPolarHBondContact O-CB 3.31Å; P144-K147 PolarHBondContact O-N 3.25Å
145W88.4Confident70.6Confident207 Ų207120.8 Ų120.878%0.78463%0.633SS**G310 helixtrans-72.2-22.3178.266.5-97.9000113.8Y143 K147Y143-W145 AromaticContact CG-NE1 3.95Å; Y143-W145 PolarHBondContact O-N 3.5Å; Y143-W145 VanDerWaalsContact O-N 3.09Å; W145-K147 VanDerWaalsContact C-N 3.28Å
146M87.7Confident70.9Confident92 Ų92121.2 Ų121.245%0.45364%0.636SS.*G310 helixtrans-77.3-18.6175-56.4173.37800111.6V142 Y143 P144V142-M146 HydrophobicContact CG1-CB 3.98Å; Y143-M146 HydrophobicContact CD2-SD 3.83Å; Y143-M146 HydrophobicContact CG-SD 4.47Å; Y143-M146 WeakPolarHBondContact O-CB 3.43Å; Y143-M146 PolarHBondContact O-N 3.06Å; P144-M146 VanDerWaalsContact C-N 3.32Å; P144-M146 PolarHBondContact O-N 3.07Å
147K83.4Confident70.9Confident123 Ų123120.2 Ų120.254%0.53563%0.629SS.*SBendtrans-76.9133-179.3-59.8-177.6-179.1178.70110V142 P144 W145 V149V142-K147 HydrophobicContact CG1-CG 3.88Å; V142-K147 WeakPolarHBondContact O-CE 3.39Å; P144-K147 WeakPolarHBondContact O-CB 3.31Å; P144-K147 PolarHBondContact O-N 3.25Å; W145-K147 VanDerWaalsContact C-N 3.28Å; K147-V149 VanDerWaalsContact C-N 3.35Å; K147-V149 PolarHBondContact O-N 2.95Å
148K80.3Confident70.4Confident120 Ų120117.6 Ų117.652%0.52262%0.62SS.*  trans-82.976.5-167.2-62.5171.868.2-174.30111.3H150 V151 E162K148-H150 PolarHBondContact O-N 2.96Å; K148-V151 HydrophobicContact CB-CG2 3.82Å; K148-V151 WeakPolarHBondContact O-CB 3.11Å; K148-V151 WeakPolarHBondContact O-CG2 3.14Å; K148-V151 PolarHBondContact O-N 3.33Å; K148-E162 WeakPolarHBondContact CE-OE1 3.45Å; K148-E162 WeakPolarHBondContact CE-OE2 3.49Å; K148-E162 IonicContact NZ-OE1 2.63Å; K148-E162 PolarHBondContact NZ-OE1 2.67Å; K148-E162 IonicContact NZ-OE2 2.67Å; K148-E162 PolarHBondContact NZ-OE2 3.49Å
149V76.5Confident69.9Low103 Ų103117.8 Ų117.862%0.62463%0.627SS**THydrogen-bonded Turntrans-42.2-36.8-173.6-176.30000114.7K147 V151K147-V149 VanDerWaalsContact C-N 3.35Å; K147-V149 PolarHBondContact O-N 2.95Å; V149-V151 VanDerWaalsContact C-N 3.27Å; V149-V151 PolarHBondContact O-N 3.44Å
150H66Low69Low139 Ų139113 Ų11364%0.64461%0.611SS**THydrogen-bonded Turntrans-73.1-8.1-178.8-63.9127.4000115.8K148 R165K148-H150 PolarHBondContact O-N 2.96Å; H150-R165 PolarHBondContact O-NH2 3.26Å
151V58.2Low68Low56 Ų56111.6 Ų111.634%0.33962%0.616SS.*THydrogen-bonded Turntrans-89.8-52.3-175.3-176.80000111.5K148 V149 I153 V154K148-V151 HydrophobicContact CB-CG2 3.82Å; K148-V151 WeakPolarHBondContact O-CB 3.11Å; K148-V151 WeakPolarHBondContact O-CG2 3.14Å; K148-V151 PolarHBondContact O-N 3.33Å; V149-V151 VanDerWaalsContact C-N 3.27Å; V149-V151 PolarHBondContact O-N 3.44Å; V151-I153 PolarHBondContact O-N 3.42Å; V151-V154 PolarHBondContact O-N 3.09Å
152N53.6Low66.7Low129 Ų129110.2 Ų110.269%0.6960%0.603SS**THydrogen-bonded Turntrans-58.6-17.4-175.4-93.162.5000115.8
153I58.3Low65.4Low128 Ų128112.1 Ų112.166%0.65662%0.617SS**THydrogen-bonded Turntrans-81.5-12.2-171.3-65170.2000112.7V151V151-I153 PolarHBondContact O-N 3.42Å
154V53.1Low64.6Low106 Ų106113.8 Ų113.864%0.64263%0.627SS**THydrogen-bonded Turntrans-131.5-19.6-172.6-131.90000116.4V151V151-V154 PolarHBondContact O-N 3.09Å
155N49.4Very low64Low85 Ų85117 Ų11746%0.45563%0.625SS.*  trans-156.4117.1168.3-153.38000110.9S157N155-S157 PolarHBondContact OD1-OG 2.84Å
156S57.5Low63.9Low113 Ų113112.5 Ų112.579%0.7963%0.626SS**SBendtrans-90.10.1-176.7-165.30000113.8
157S53.3Low64Low91 Ų91119.4 Ų119.464%0.63665%0.647SS**SBendtrans-126.29.3-167.2530000114.8N155N155-S157 PolarHBondContact OD1-OG 2.84Å
158Y47.3Very low64.5Low185 Ų185119.3 Ų119.373%0.72566%0.657SS**  trans-105.983.4-178.5-124-101.7000113.2G160Y158-G160 PolarHBondContact O-N 3.29Å
159S53Low65.3Low133 Ų133117.7 Ų117.793%0.9367%0.666SS**  trans-76.261168.447.10000111.8
160G51.3Low66.3Low42 Ų42116.3 Ų116.343%0.43365%0.65SS.*SBendtrans-170.6131.6178.600000115Y158 E162Y158-G160 PolarHBondContact O-N 3.29Å; G160-E162 PolarHBondContact O-N 3.46Å
161G59.2Low67.9Low78 Ų78113.3 Ų113.380%0.80464%0.641SS**  trans54.853.3157.100000117.3P163G161-P163 WeakPolarHBondContact O-CD 3.23Å
162E57.7Low69.8Low74 Ų74120.3 Ų120.335%0.34666%0.662SS.*  trans-42.9118.5-174.7-109.1-168.8-117.300115.4K148 G160 K164K148-E162 WeakPolarHBondContact CE-OE1 3.45Å; K148-E162 WeakPolarHBondContact CE-OE2 3.49Å; K148-E162 IonicContact NZ-OE1 2.63Å; K148-E162 PolarHBondContact NZ-OE1 2.67Å; K148-E162 IonicContact NZ-OE2 2.67Å; K148-E162 PolarHBondContact NZ-OE2 3.49Å; G160-E162 PolarHBondContact O-N 3.46Å; E162-K164 WeakPolarHBondContact O-CD 3.41Å; E162-K164 PolarHBondContact O-N 2.84Å; E162-K164 VanDerWaalsContact O-N 3.12Å
163P60.9Low71.9Confident118 Ų118121 Ų12177%0.76666%0.66SS**  trans-70.1102.2165.4-17.131.8000110.1G161 R165G161-P163 WeakPolarHBondContact O-CD 3.23Å; P163-R165 PolarHBondContact O-N 2.89Å; P163-R165 VanDerWaalsContact O-N 3.15Å
164K73.3Confident73.8Confident166 Ų166116.2 Ų116.272%0.72264%0.635SS**  trans-61.5120.3168.8-71.770.4170.2-179.80106.5E162 S166E162-K164 WeakPolarHBondContact O-CD 3.41Å; E162-K164 PolarHBondContact O-N 2.84Å; E162-K164 VanDerWaalsContact O-N 3.12Å; K164-S166 PolarHBondContact O-N 2.97Å
165R75.9Confident76Confident168 Ų168113.6 Ų113.663%0.63462%0.62SS**  trans-56.6102.6177.8-71.9-175.5-177.8172.12.6109.6H150 P163H150-R165 PolarHBondContact O-NH2 3.26Å; P163-R165 PolarHBondContact O-N 2.89Å; P163-R165 VanDerWaalsContact O-N 3.15Å
166S85.7Confident78.3Confident114 Ų114113.7 Ų113.780%0.79762%0.62SS**  trans-62141.8-176.6-171.20000110.7K164K164-S166 PolarHBondContact O-N 2.97Å
167R91Very high80.3Confident237 Ų237111.1 Ų111.189%0.89460%0.595SS**  trans-94.6100.6179.6-72.4179.7174.7-96.74.6109.3A169R167-A169 PolarHBondContact O-N 3.01Å
168T93.9Very high82.4Confident120 Ų120106.8 Ų106.874%0.73657%0.565SS**PPolyproline II helixtrans-59.2122.7167.4-39.80000109.5
169A95.9Very high84.9Confident86 Ų86100.9 Ų100.971%0.71154%0.544SS*.PPolyproline II helixtrans-80.3149.8169.500000110.2R167R167-A169 PolarHBondContact O-N 3.01Å
170Y98.3Very high87.1Confident74 Ų74100.1 Ų100.129%0.2952%0.524SS..PPolyproline II helixtrans-84.7146.2170.3-59.7-56.6000110.3L202 Q206 W210Y170-L202 HydrophobicContact CD1-CD1 3.92Å; Y170-L202 HydrophobicContact CD1-CD2 3.84Å; Y170-L202 HydrophobicContact CE1-CD1 3.89Å; Y170-L202 HydrophobicContact CE1-CD2 3.67Å; Y170-L202 HydrophobicContact CE1-CG 4.45Å; Y170-Q206 HydrophobicContact CE1-CB 4.46Å; Y170-Q206 WeakPolarHBondContact OH-CB 3.44Å; Y170-W210 AromaticContact CE2-CD1 3.81Å
171T98.6Very high89.3Confident76 Ų7698.8 Ų98.847%0.46651%0.506SS..PPolyproline II helixtrans-69.1158.9176.576.20000111.1Q173 Q174 V175T171-Q173 PolarHBondContact O-N 3.17Å; T171-Q174 PolarHBondContact O-N 3.28Å; T171-Q174 VanDerWaalsContact O-N 3.13Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.32Å; T171-Q174 PolarHBondContact OG1-N 2.73Å; T171-V175 WeakPolarHBondContact O-CG2 3.49Å; T171-V175 PolarHBondContact O-N 3Å
172R98.3Very high91.2Very high204 Ų20495.1 Ų95.177%0.7747%0.468SS*.Hα-helixtrans-55.2-39.9176.7-175.4175.1179.3-96.41.1112V175 L176R172-V175 PolarHBondContact O-N 3.2Å; R172-L176 HydrophobicContact CG-CD1 4.07Å; R172-L176 VanDerWaalsContact O-CG 3.28Å; R172-L176 WeakPolarHBondContact O-CG 3.44Å; R172-L176 PolarHBondContact O-N 3.43Å
173Q98.4Very high93.1Very high142 Ų14297 Ų9766%0.66448%0.477SS*.Hα-helixtrans-63.9-46.9176.3-178-178.1-5.800112.1T171 V175 L176 E177T171-Q173 PolarHBondContact O-N 3.17Å; Q173-V175 VanDerWaalsContact C-N 3.31Å; Q173-V175 PolarHBondContact O-N 2.9Å; Q173-L176 PolarHBondContact O-N 3.26Å; Q173-E177 PolarHBondContact O-N 2.97Å
174Q98.6Very high94.9Very high28 Ų28100.6 Ų100.613%0.13148%0.476CS..Hα-helixtrans-58.2-43.6176.4-73172.8-26.100111.5T171 L178 L200 L202T171-Q174 PolarHBondContact O-N 3.28Å; T171-Q174 VanDerWaalsContact O-N 3.13Å; T171-Q174 WeakPolarHBondContact OG1-CG 3.32Å; T171-Q174 PolarHBondContact OG1-N 2.73Å; Q174-L178 WeakPolarHBondContact O-CB 3.33Å; Q174-L178 VanDerWaalsContact O-CD1 3.32Å; Q174-L178 WeakPolarHBondContact O-CD1 3.38Å; Q174-L178 WeakPolarHBondContact O-CG 3.14Å; Q174-L178 PolarHBondContact O-N 3.49Å; Q174-L200 HydrophobicContact CG-CB 4.32Å; Q174-L200 PolarHBondContact NE2-O 3.07Å; Q174-L202 HydrophobicContact CG-CD1 4.41Å
175V98.5Very high96Very high52 Ų5296.2 Ų96.232%0.31546%0.461SS..Hα-helixtrans-64.6-44.1177.91770000111.7T171 R172 Q173 L178 E179T171-V175 WeakPolarHBondContact O-CG2 3.49Å; T171-V175 PolarHBondContact O-N 3Å; R172-V175 PolarHBondContact O-N 3.2Å; Q173-V175 VanDerWaalsContact C-N 3.31Å; Q173-V175 PolarHBondContact O-N 2.9Å; V175-L178 PolarHBondContact O-N 3.37Å; V175-E179 HydrophobicContact CG1-CG 4.41Å; V175-E179 WeakPolarHBondContact O-CG 3.5Å; V175-E179 PolarHBondContact O-N 2.79Å
176L98.5Very high97Very high86 Ų8692.1 Ų92.145%0.4545%0.445SS..Hα-helixtrans-63.1-45.5-179.4-73.3169.2000112.5R172 Q173 E179 K180R172-L176 HydrophobicContact CG-CD1 4.07Å; R172-L176 VanDerWaalsContact O-CG 3.28Å; R172-L176 WeakPolarHBondContact O-CG 3.44Å; R172-L176 PolarHBondContact O-N 3.43Å; Q173-L176 PolarHBondContact O-N 3.26Å; L176-E179 PolarHBondContact O-N 3.33Å; L176-K180 VanDerWaalsContact O-CB 3.32Å; L176-K180 WeakPolarHBondContact O-CB 3.41Å; L176-K180 PolarHBondContact O-N 3.2Å
177E98.6Very high97.6Very high59 Ų5993.8 Ų93.828%0.27644%0.436SS..Hα-helixtrans-67.2-37.2176.9-74.1-65.3134.100112.2Q173 K180 E181 L200Q173-E177 PolarHBondContact O-N 2.97Å; E177-K180 PolarHBondContact O-N 2.84Å; E177-K180 WeakPolarHBondContact OE1-CD 3.49Å; E177-K180 IonicContact OE1-NZ 2.68Å; E177-K180 PolarHBondContact OE1-NZ 2.85Å; E177-K180 WeakPolarHBondContact OE2-CD 3.37Å; E177-K180 IonicContact OE2-NZ 3.26Å; E177-K180 PolarHBondContact OE2-NZ 3.29Å; E177-E181 WeakPolarHBondContact O-CG 3.4Å; E177-E181 PolarHBondContact O-N 2.89Å; E177-L200 HydrophobicContact CB-CD1 4.12Å; E177-L200 HydrophobicContact CB-CD2 3.73Å; E177-L200 HydrophobicContact CG-CD2 4.08Å
178L98.6Very high98Very high1 Ų184 Ų841%0.00540%0.401CS..Hα-helixtrans-64.7-38.5173-72.9167000112.6Q174 V175 F182 I196 L200 L202 I207 W210 F211Q174-L178 WeakPolarHBondContact O-CB 3.33Å; Q174-L178 VanDerWaalsContact O-CD1 3.32Å; Q174-L178 WeakPolarHBondContact O-CD1 3.38Å; Q174-L178 WeakPolarHBondContact O-CG 3.14Å; Q174-L178 PolarHBondContact O-N 3.49Å; V175-L178 PolarHBondContact O-N 3.37Å; L178-F182 WeakPolarHBondContact O-CB 3.34Å; L178-F182 PolarHBondContact O-N 2.98Å; L178-I196 HydrophobicContact CD2-CG2 4.18Å; L178-L200 HydrophobicContact CD1-CD1 4.41Å; L178-L200 HydrophobicContact CD2-CD1 3.98Å; L178-L200 HydrophobicContact CG-CD1 3.72Å; L178-L202 HydrophobicContact CD1-CD1 4.23Å; L178-I207 HydrophobicContact CD2-CD1 3.85Å; L178-W210 VanDerWaalsContact C-CH2 3.45Å; L178-W210 HydrophobicContact CB-CD2 3.93Å; L178-W210 HydrophobicContact CB-CE3 3.99Å; L178-W210 HydrophobicContact CB-CH2 3.72Å; L178-W210 HydrophobicContact CB-CZ2 3.62Å; L178-W210 HydrophobicContact CB-CZ3 3.89Å; L178-W210 HydrophobicContact CD1-CD2 3.97Å; L178-W210 HydrophobicContact CD1-CG 3.88Å; L178-W210 HydrophobicContact CD2-CD2 4.35Å; L178-W210 HydrophobicContact CD2-CE3 4.27Å; L178-W210 HydrophobicContact CG-CD2 4.31Å; L178-W210 WeakPolarHBondContact O-CH2 3.33Å; L178-W210 WeakPolarHBondContact O-CZ3 3.32Å; L178-F211 HydrophobicContact CD2-CD2 4.5Å; L178-F211 HydrophobicContact CD2-CE2 3.96Å
179E98.6Very high98.2Very high60 Ų6082.4 Ų82.428%0.2839%0.391SS..Hα-helixtrans-71-40.4174.6-69.1-143.4117.700112.3V175 L176 F182 H183 W210 R214V175-E179 HydrophobicContact CG1-CG 4.41Å; V175-E179 WeakPolarHBondContact O-CG 3.5Å; V175-E179 PolarHBondContact O-N 2.79Å; L176-E179 PolarHBondContact O-N 3.33Å; E179-F182 PolarHBondContact O-N 3.19Å; E179-H183 PolarHBondContact O-N 3.35Å; E179-H183 PolarHBondContact O-ND1 2.83Å; E179-W210 HydrophobicContact CG-CH2 3.87Å; E179-W210 HydrophobicContact CG-CZ2 3.84Å; E179-R214 IonicContact OE1-CZ 3.29Å; E179-R214 VanDerWaalsContact OE1-CZ 3.29Å; E179-R214 IonicContact OE1-NE 2.82Å; E179-R214 PolarHBondContact OE1-NE 3.03Å; E179-R214 IonicContact OE1-NH2 3.8Å; E179-R214 PolarHBondContact OE1-NH2 3.24Å
180K98.5Very high98.3Very high117 Ų11785.3 Ų85.351%0.50938%0.384SS..Hα-helixtrans-55.8-51.7172.8169.5-175.8164.5-156.60111.6L176 E177 F182 H183 Y184L176-K180 VanDerWaalsContact O-CB 3.32Å; L176-K180 WeakPolarHBondContact O-CB 3.41Å; L176-K180 PolarHBondContact O-N 3.2Å; E177-K180 PolarHBondContact O-N 2.84Å; E177-K180 WeakPolarHBondContact OE1-CD 3.49Å; E177-K180 IonicContact OE1-NZ 2.68Å; E177-K180 PolarHBondContact OE1-NZ 2.85Å; E177-K180 WeakPolarHBondContact OE2-CD 3.37Å; E177-K180 IonicContact OE2-NZ 3.26Å; E177-K180 PolarHBondContact OE2-NZ 3.29Å; K180-F182 VanDerWaalsContact C-N 3.31Å; K180-F182 PolarHBondContact O-N 3.41Å; K180-H183 PolarHBondContact O-N 3.18Å; K180-Y184 PolarHBondContact O-N 3.42Å; K180-Y184 VanDerWaalsContact O-N 3.08Å
181E98.4Very high98.3Very high14 Ų1490.9 Ų90.97%0.06540%0.404CS..Hα-helixtrans-62.2-35.9175.6-73.5-68.7126.800112.5E177 H183 Y184 N185 R192 I196 F211E177-E181 WeakPolarHBondContact O-CG 3.4Å; E177-E181 PolarHBondContact O-N 2.89Å; E181-H183 PolarHBondContact O-N 2.82Å; E181-Y184 PolarHBondContact O-N 3.5Å; E181-N185 PolarHBondContact O-N 3.2Å; E181-N185 VanDerWaalsContact O-O 3.08Å; E181-R192 VanDerWaalsContact CD-NH2 3.28Å; E181-R192 IonicContact OE1-CZ 3.47Å; E181-R192 IonicContact OE1-NE 2.78Å; E181-R192 IonicContact OE1-NH2 3.31Å; E181-R192 PolarHBondContact OE1-NH2 3.26Å; E181-R192 IonicContact OE2-CZ 2.74Å; E181-R192 IonicContact OE2-NE 2.72Å; E181-R192 PolarHBondContact OE2-NE 2.85Å; E181-R192 IonicContact OE2-NH2 3.71Å; E181-R192 PolarHBondContact OE2-NH2 3.34Å; E181-I196 HydrophobicContact CB-CD1 4.08Å; E181-I196 HydrophobicContact CG-CD1 3.73Å; E181-I196 HydrophobicContact CG-CG1 4.05Å; E181-I196 WeakPolarHBondContact OE2-CD1 3.32Å; E181-F211 HydrophobicContact CB-CZ 4.03Å
182F98.6Very high98.3Very high1 Ų191.4 Ų91.40%0.00440%0.398CS..Hα-helixtrans-68-31.8176.7-178.5-101.3000113.9L178 E179 K180 N185 R186 W210 F211 R214 R215 W218L178-F182 WeakPolarHBondContact O-CB 3.34Å; L178-F182 PolarHBondContact O-N 2.98Å; E179-F182 PolarHBondContact O-N 3.19Å; K180-F182 VanDerWaalsContact C-N 3.31Å; K180-F182 PolarHBondContact O-N 3.41Å; F182-N185 CarbonylContact O-C 3.41Å; F182-R186 HydrophobicContact CD2-CB 4.33Å; F182-R186 HydrophobicContact CD2-CG 4.31Å; F182-R186 HydrophobicContact CE1-CG 4.15Å; F182-R186 HydrophobicContact CE2-CB 3.78Å; F182-R186 HydrophobicContact CE2-CG 3.78Å; F182-R186 HydrophobicContact CZ-CB 4.16Å; F182-R186 HydrophobicContact CZ-CG 3.7Å; F182-R186 WeakPolarHBondContact O-CG 3.48Å; F182-R186 PolarHBondContact O-N 3.03Å; F182-W210 HydrophobicContact CB-CH2 4.23Å; F182-W210 HydrophobicContact CB-CZ3 4.01Å; F182-W210 HydrophobicContact CG-CZ3 4.44Å; F182-F211 HydrophobicContact CB-CE1 4.05Å; F182-F211 HydrophobicContact CB-CZ 4.14Å; F182-F211 AromaticContact CD2-CD1 3.99Å; F182-F211 HydrophobicContact CD2-CD1 3.99Å; F182-F211 AromaticContact CD2-CE1 3.87Å; F182-F211 HydrophobicContact CD2-CE1 3.87Å; F182-F211 HydrophobicContact CG-CE1 4.48Å; F182-R214 HydrophobicContact CB-CG 4.39Å; F182-R214 HydrophobicContact CD1-CG 3.6Å; F182-R214 HydrophobicContact CD2-CB 4.2Å; F182-R214 HydrophobicContact CD2-CG 3.74Å; F182-R214 HydrophobicContact CE1-CG 3.72Å; F182-R214 HydrophobicContact CE2-CB 4.23Å; F182-R214 HydrophobicContact CE2-CG 3.87Å; F182-R214 HydrophobicContact CG-CG 3.62Å; F182-R214 HydrophobicContact CZ-CG 3.85Å; F182-R215 HydrophobicContact CE2-CG 3.74Å; F182-R215 HydrophobicContact CZ-CG 4.33Å; F182-W218 HydrophobicContact CE1-CB 4.19Å; F182-W218 HydrophobicContact CE1-CG 4.2Å; F182-W218 HydrophobicContact CZ-CB 3.88Å; F182-W218 HydrophobicContact CZ-CG 4.04Å
183H97.9Very high98.3Very high115 Ų11584.2 Ų84.253%0.53237%0.37SS..Hα-helixtrans-73.1-39.5172.9-70.596.1000111.4E179 K180 E181E179-H183 PolarHBondContact O-N 3.35Å; E179-H183 PolarHBondContact O-ND1 2.83Å; K180-H183 PolarHBondContact O-N 3.18Å; E181-H183 PolarHBondContact O-N 2.82Å
184Y98.3Very high98.3Very high192 Ų19279.4 Ų79.475%0.75335%0.35SS*.Hα-helixtrans-62.8-49.7173.6178.4-110.4000112K180 E181K180-Y184 PolarHBondContact O-N 3.42Å; K180-Y184 VanDerWaalsContact O-N 3.08Å; E181-Y184 PolarHBondContact O-N 3.5Å
185N97Very high98.3Very high74 Ų7480.8 Ų80.840%0.39636%0.357SS..  trans-147.6123.7171.4-168.3-19000111.9E181 F182 Y187E181-N185 PolarHBondContact O-N 3.2Å; E181-N185 VanDerWaalsContact O-O 3.08Å; F182-N185 CarbonylContact O-C 3.41Å; N185-Y187 PolarHBondContact ND2-O 2.9Å; N185-Y187 PolarHBondContact O-N 3.02Å; N185-Y187 VanDerWaalsContact O-N 3.12Å; N185-Y187 PolarHBondContact OD1-N 2.88Å; N185-Y187 PolarHBondContact OD1-O 3.15Å; N185-Y187 VanDerWaalsContact OD1-O 3.07Å
186R97.8Very high98.3Very high82 Ų8278.7 Ų78.731%0.30934%0.344SS..SBendtrans-66.9-12.2179.1-67.4179.5167.567.23.2113.7F182 R215 W218F182-R186 HydrophobicContact CD2-CB 4.33Å; F182-R186 HydrophobicContact CD2-CG 4.31Å; F182-R186 HydrophobicContact CE1-CG 4.15Å; F182-R186 HydrophobicContact CE2-CB 3.78Å; F182-R186 HydrophobicContact CE2-CG 3.78Å; F182-R186 HydrophobicContact CZ-CB 4.16Å; F182-R186 HydrophobicContact CZ-CG 3.7Å; F182-R186 WeakPolarHBondContact O-CG 3.48Å; F182-R186 PolarHBondContact O-N 3.03Å; R186-R215 VanDerWaalsContact O-CD 3.31Å; R186-R215 WeakPolarHBondContact O-CD 3.45Å; R186-W218 VanDerWaalsContact NE-CE2 3.33Å
187Y98.3Very high98.3Very high150 Ų15075 Ų7559%0.58833%0.325SS*.SBendtrans-135122.1-177.4-65.7-108.8000110.8N185N185-Y187 PolarHBondContact ND2-O 2.9Å; N185-Y187 PolarHBondContact O-N 3.02Å; N185-Y187 VanDerWaalsContact O-N 3.12Å; N185-Y187 PolarHBondContact OD1-N 2.88Å; N185-Y187 PolarHBondContact OD1-O 3.15Å; N185-Y187 VanDerWaalsContact OD1-O 3.07Å
188L98.3Very high98.3Very high31 Ų3178.9 Ų78.916%0.16234%0.344CS..  trans-88.4134.8180-62.4179.7000113.2R192 R193 I196 I207 F211L188-R192 HydrophobicContact CD2-CG 4Å; L188-R193 HydrophobicContact CD1-CG 4.39Å; L188-I196 HydrophobicContact CD1-CD1 3.67Å; L188-I196 HydrophobicContact CD2-CD1 3.64Å; L188-I196 HydrophobicContact CG-CD1 4.31Å; L188-I207 HydrophobicContact CD1-CG2 3.46Å; L188-I207 VanDerWaalsContact CD1-CG2 3.46Å; L188-F211 HydrophobicContact CD1-CD1 4.24Å; L188-F211 HydrophobicContact CD1-CD2 3.63Å; L188-F211 HydrophobicContact CD1-CE1 4.12Å; L188-F211 HydrophobicContact CD1-CE2 3.53Å; L188-F211 HydrophobicContact CD1-CG 4.02Å; L188-F211 HydrophobicContact CD1-CZ 3.78Å; L188-F211 HydrophobicContact CD2-CE1 3.87Å; L188-F211 HydrophobicContact CD2-CE2 4.42Å; L188-F211 HydrophobicContact CD2-CZ 3.81Å; L188-F211 HydrophobicContact CG-CD1 3.86Å; L188-F211 HydrophobicContact CG-CD2 4.18Å; L188-F211 HydrophobicContact CG-CE1 3.65Å; L188-F211 HydrophobicContact CG-CE2 4.02Å; L188-F211 HydrophobicContact CG-CG 4.11Å; L188-F211 HydrophobicContact CG-CZ 3.76Å
189T98.5Very high98.3Very high87 Ų8784 Ų8453%0.53438%0.375SS..  trans-67.9165.3166.567.40000111.6R191 R192 R193T189-R191 VanDerWaalsContact C-N 3.3Å; T189-R191 PolarHBondContact O-N 3.12Å; T189-R192 WeakPolarHBondContact OG1-CB 3.23Å; T189-R192 PolarHBondContact OG1-N 3.3Å; T189-R193 PolarHBondContact O-N 2.97Å
190R98.3Very high98.3Very high147 Ų14781.6 Ų81.656%0.55536%0.364SS*.Hα-helixtrans-58.8-40.5178.1179.164.2-172.994.2-15.4112.5E204R190-E204 IonicContact CZ-OE1 2.74Å; R190-E204 IonicContact CZ-OE2 3.52Å; R190-E204 VanDerWaalsContact CZ-OE2 3.3Å; R190-E204 IonicContact NH1-OE1 3.09Å; R190-E204 PolarHBondContact NH1-OE1 2.85Å; R190-E204 IonicContact NH1-OE2 3.93Å; R190-E204 PolarHBondContact NH1-OE2 3.42Å; R190-E204 IonicContact NH2-OE1 3.66Å; R190-E204 PolarHBondContact NH2-OE1 3.28Å; R190-E204 IonicContact NH2-OE2 2.7Å
191R98.3Very high98.3Very high190 Ų19081.5 Ų81.572%0.71738%0.377SS*.Hα-helixtrans-70.1-53.7178.6174.2176.1166.2163.60.3111.7T189 R193 V194 E195T189-R191 VanDerWaalsContact C-N 3.3Å; T189-R191 PolarHBondContact O-N 3.12Å; R191-R193 PolarHBondContact O-N 3.41Å; R191-R193 VanDerWaalsContact O-N 3.11Å; R191-V194 WeakPolarHBondContact O-CB 3.49Å; R191-V194 PolarHBondContact O-N 2.97Å; R191-E195 WeakPolarHBondContact CG-OE1 3.48Å; R191-E195 IonicContact CZ-OE1 3.58Å; R191-E195 IonicContact NE-OE1 2.99Å; R191-E195 PolarHBondContact NE-OE1 2.67Å; R191-E195 IonicContact NH2-OE1 3.46Å; R191-E195 PolarHBondContact NH2-OE1 2.9Å; R191-E195 PolarHBondContact O-N 3.41Å
192R98.5Very high98.2Very high88 Ų8881.6 Ų81.633%0.33238%0.377SS..Hα-helixtrans-59.7-30-176.6-171.854.9175.4177.90.7112.6E181 L188 T189 V194 E195 I196E181-R192 VanDerWaalsContact CD-NH2 3.28Å; E181-R192 IonicContact OE1-CZ 3.47Å; E181-R192 IonicContact OE1-NE 2.78Å; E181-R192 IonicContact OE1-NH2 3.31Å; E181-R192 PolarHBondContact OE1-NH2 3.26Å; E181-R192 IonicContact OE2-CZ 2.74Å; E181-R192 IonicContact OE2-NE 2.72Å; E181-R192 PolarHBondContact OE2-NE 2.85Å; E181-R192 IonicContact OE2-NH2 3.71Å; E181-R192 PolarHBondContact OE2-NH2 3.34Å; L188-R192 HydrophobicContact CD2-CG 4Å; T189-R192 WeakPolarHBondContact OG1-CB 3.23Å; T189-R192 PolarHBondContact OG1-N 3.3Å; R192-V194 PolarHBondContact O-N 2.99Å; R192-E195 WeakPolarHBondContact CD-OE2 3.31Å; R192-E195 IonicContact CZ-OE2 3.65Å; R192-E195 IonicContact NE-OE2 3.75Å; R192-E195 IonicContact NH1-OE2 2.8Å; R192-E195 PolarHBondContact NH1-OE2 3Å; R192-E195 PolarHBondContact O-N 2.92Å; R192-I196 HydrophobicContact CG-CD1 3.91Å; R192-I196 HydrophobicContact CG-CG1 4.42Å; R192-I196 WeakPolarHBondContact O-CD1 3.48Å; R192-I196 VanDerWaalsContact O-CG1 3.31Å; R192-I196 WeakPolarHBondContact O-CG1 3.38Å; R192-I196 PolarHBondContact O-N 2.63Å; R192-I196 VanDerWaalsContact O-N 3.1Å
193R98.6Very high98.2Very high52 Ų5284.3 Ų84.320%0.19640%0.397CS..Hα-helixtrans-62.8-36.1173.3-159.3-168.6-54.3139.90.9113.7L188 T189 R191 A197 E204 I207L188-R193 HydrophobicContact CD1-CG 4.39Å; T189-R193 PolarHBondContact O-N 2.97Å; R191-R193 PolarHBondContact O-N 3.41Å; R191-R193 VanDerWaalsContact O-N 3.11Å; R193-A197 WeakPolarHBondContact O-CB 3.4Å; R193-A197 PolarHBondContact O-N 3.34Å; R193-E204 WeakPolarHBondContact CD-O 3.45Å; R193-E204 WeakPolarHBondContact CD-OE2 3.34Å; R193-E204 HydrophobicContact CG-CB 4.49Å; R193-E204 HydrophobicContact CG-CG 4.21Å; R193-E204 IonicContact CZ-OE2 3.01Å; R193-E204 IonicContact NH1-OE2 3.3Å; R193-E204 PolarHBondContact NH1-OE2 2.86Å; R193-I207 HydrophobicContact CG-CB 3.93Å; R193-I207 HydrophobicContact CG-CG2 3.7Å
194V98.6Very high98.3Very high41 Ų4181.4 Ų81.425%0.24838%0.383CS..Hα-helixtrans-68.6-47.3176.8-177.50000110R191 R192 I196 A197 H198R191-V194 WeakPolarHBondContact O-CB 3.49Å; R191-V194 PolarHBondContact O-N 2.97Å; R192-V194 PolarHBondContact O-N 2.99Å; V194-I196 PolarHBondContact O-N 3.44Å; V194-A197 WeakPolarHBondContact O-CB 3.28Å; V194-A197 PolarHBondContact O-N 3.46Å; V194-H198 WeakPolarHBondContact CG1-NE2 3.43Å; V194-H198 PolarHBondContact O-CD2 2.89Å; V194-H198 PolarHBondContact O-N 2.85Å
195E98.5Very high98.2Very high58 Ų5881 Ų8127%0.27138%0.38SS..Hα-helixtrans-54.3-53.5179-62.4169-179.300110.5R191 R192 A197 H198 T199R191-E195 WeakPolarHBondContact CG-OE1 3.48Å; R191-E195 IonicContact CZ-OE1 3.58Å; R191-E195 IonicContact NE-OE1 2.99Å; R191-E195 PolarHBondContact NE-OE1 2.67Å; R191-E195 IonicContact NH2-OE1 3.46Å; R191-E195 PolarHBondContact NH2-OE1 2.9Å; R191-E195 PolarHBondContact O-N 3.41Å; R192-E195 WeakPolarHBondContact CD-OE2 3.31Å; R192-E195 IonicContact CZ-OE2 3.65Å; R192-E195 IonicContact NE-OE2 3.75Å; R192-E195 IonicContact NH1-OE2 2.8Å; R192-E195 PolarHBondContact NH1-OE2 3Å; R192-E195 PolarHBondContact O-N 2.92Å; E195-A197 PolarHBondContact O-N 3.21Å; E195-H198 PolarHBondContact O-N 3.11Å; E195-T199 PolarHBondContact O-N 3.47Å; E195-T199 PolarHBondContact O-OG1 2.9Å
196I98.4Very high98.3Very high8 Ų880.1 Ų80.14%0.04137%0.374CS..Hα-helixtrans-64.8-39.8177.8-58.5162.2000112.1L178 E181 L188 R192 V194 H198 T199 L200 I207L178-I196 HydrophobicContact CD2-CG2 4.18Å; E181-I196 HydrophobicContact CB-CD1 4.08Å; E181-I196 HydrophobicContact CG-CD1 3.73Å; E181-I196 HydrophobicContact CG-CG1 4.05Å; E181-I196 WeakPolarHBondContact OE2-CD1 3.32Å; L188-I196 HydrophobicContact CD1-CD1 3.67Å; L188-I196 HydrophobicContact CD2-CD1 3.64Å; L188-I196 HydrophobicContact CG-CD1 4.31Å; R192-I196 HydrophobicContact CG-CD1 3.91Å; R192-I196 HydrophobicContact CG-CG1 4.42Å; R192-I196 WeakPolarHBondContact O-CD1 3.48Å; R192-I196 VanDerWaalsContact O-CG1 3.31Å; R192-I196 WeakPolarHBondContact O-CG1 3.38Å; R192-I196 PolarHBondContact O-N 2.63Å; R192-I196 VanDerWaalsContact O-N 3.1Å; V194-I196 PolarHBondContact O-N 3.44Å; I196-H198 VanDerWaalsContact C-N 3.31Å; I196-H198 PolarHBondContact O-N 2.91Å; I196-T199 PolarHBondContact O-N 3.26Å; I196-L200 HydrophobicContact CG2-CD1 3.63Å; I196-L200 HydrophobicContact CG2-CG 4.1Å; I196-L200 WeakPolarHBondContact O-CB 3.4Å; I196-L200 WeakPolarHBondContact O-CG 3.5Å; I196-L200 PolarHBondContact O-N 3.18Å; I196-I207 HydrophobicContact CG2-CD1 3.91Å
197A98.6Very high98.3Very high7 Ų776.2 Ų76.26%0.05836%0.359CS..Hα-helixtrans-58-44.6178.600000111.7R193 V194 E195 C201 L202 E204 I207R193-A197 WeakPolarHBondContact O-CB 3.4Å; R193-A197 PolarHBondContact O-N 3.34Å; V194-A197 WeakPolarHBondContact O-CB 3.28Å; V194-A197 PolarHBondContact O-N 3.46Å; E195-A197 PolarHBondContact O-N 3.21Å; A197-C201 PolarHBondContact O-N 3.38Å; A197-L202 CarbonylContact C-O 3.46Å; A197-L202 VanDerWaalsContact CA-O 3.23Å; A197-L202 WeakPolarHBondContact CA-O 3.24Å; A197-L202 WeakPolarHBondContact CB-O 3.33Å; A197-L202 PolarHBondContact O-N 2.9Å; A197-L202 VanDerWaalsContact O-O 3.1Å; A197-E204 HydrophobicContact CB-CG 4.33Å; A197-I207 HydrophobicContact CB-CG1 4.1Å
198H98.5Very high98.4Very high142 Ų14275.3 Ų75.366%0.65736%0.358SS*.Hα-helixtrans-69.8-48.6178.1-65.7-169.9000111.1V194 E195 I196 L200 C201V194-H198 WeakPolarHBondContact CG1-NE2 3.43Å; V194-H198 PolarHBondContact O-CD2 2.89Å; V194-H198 PolarHBondContact O-N 2.85Å; E195-H198 PolarHBondContact O-N 3.11Å; I196-H198 VanDerWaalsContact C-N 3.31Å; I196-H198 PolarHBondContact O-N 2.91Å; H198-L200 PolarHBondContact O-N 3.37Å; H198-C201 PolarHBondContact O-N 3.12Å
199T98.1Very high98.4Very high107 Ų10777 Ų7766%0.65637%0.367SS*.Hα-helixtrans-60-30.4-179.8-57.40000113.6E195 I196E195-T199 PolarHBondContact O-N 3.47Å; E195-T199 PolarHBondContact O-OG1 2.9Å; I196-T199 PolarHBondContact O-N 3.26Å
200L98.1Very high98.4Very high10 Ų1074.3 Ų74.35%0.05235%0.347CS..THydrogen-bonded Turntrans-103.31.2-176.5-59.6-172.3000114.5Q174 E177 L178 I196 H198 L202Q174-L200 HydrophobicContact CG-CB 4.32Å; Q174-L200 PolarHBondContact NE2-O 3.07Å; E177-L200 HydrophobicContact CB-CD1 4.12Å; E177-L200 HydrophobicContact CB-CD2 3.73Å; E177-L200 HydrophobicContact CG-CD2 4.08Å; L178-L200 HydrophobicContact CD1-CD1 4.41Å; L178-L200 HydrophobicContact CD2-CD1 3.98Å; L178-L200 HydrophobicContact CG-CD1 3.72Å; I196-L200 HydrophobicContact CG2-CD1 3.63Å; I196-L200 HydrophobicContact CG2-CG 4.1Å; I196-L200 WeakPolarHBondContact O-CB 3.4Å; I196-L200 WeakPolarHBondContact O-CG 3.5Å; I196-L200 PolarHBondContact O-N 3.18Å; H198-L200 PolarHBondContact O-N 3.37Å; L200-L202 VanDerWaalsContact C-N 3.29Å; L200-L202 HydrophobicContact CB-CD1 4.24Å; L200-L202 HydrophobicContact CB-CG 4.23Å; L200-L202 PolarHBondContact O-N 3.16Å
201C98.3Very high98.4Very high116 Ų11667.7 Ų67.778%0.78432%0.322SS*.THydrogen-bonded Turntrans5244.9-172.3-60.70000112.9A197 H198A197-C201 PolarHBondContact O-N 3.38Å; H198-C201 PolarHBondContact O-N 3.12Å
202L97.9Very high98.4Very high15 Ų1562.8 Ų62.88%0.07931%0.307CS..  trans-125.5141.1-179.6-69.4-179000110.7Y170 Q174 L178 A197 L200 Q206 I207Y170-L202 HydrophobicContact CD1-CD1 3.92Å; Y170-L202 HydrophobicContact CD1-CD2 3.84Å; Y170-L202 HydrophobicContact CE1-CD1 3.89Å; Y170-L202 HydrophobicContact CE1-CD2 3.67Å; Y170-L202 HydrophobicContact CE1-CG 4.45Å; Q174-L202 HydrophobicContact CG-CD1 4.41Å; L178-L202 HydrophobicContact CD1-CD1 4.23Å; A197-L202 CarbonylContact C-O 3.46Å; A197-L202 VanDerWaalsContact CA-O 3.23Å; A197-L202 WeakPolarHBondContact CA-O 3.24Å; A197-L202 WeakPolarHBondContact CB-O 3.33Å; A197-L202 PolarHBondContact O-N 2.9Å; A197-L202 VanDerWaalsContact O-O 3.1Å; L200-L202 VanDerWaalsContact C-N 3.29Å; L200-L202 HydrophobicContact CB-CD1 4.24Å; L200-L202 HydrophobicContact CB-CG 4.23Å; L200-L202 PolarHBondContact O-N 3.16Å; L202-Q206 HydrophobicContact CB-CB 4.41Å; L202-I207 HydrophobicContact CB-CD1 3.86Å; L202-I207 HydrophobicContact CB-CG1 4.43Å; L202-I207 HydrophobicContact CD1-CD1 4.01Å
203S98.5Very high98.4Very high58 Ų5863.4 Ų63.441%0.40632%0.317SS..  trans-63148174.467.10000111.8R205 Q206 I207S203-R205 PolarHBondContact O-N 3.11Å; S203-Q206 WeakPolarHBondContact O-CA 3.4Å; S203-Q206 WeakPolarHBondContact O-CB 3.46Å; S203-Q206 PolarHBondContact O-N 3.35Å; S203-Q206 WeakPolarHBondContact OG-CG 3.24Å; S203-Q206 PolarHBondContact OG-N 3.29Å; S203-Q206 PolarHBondContact OG-OE1 3.04Å; S203-I207 PolarHBondContact O-N 2.9Å; S203-I207 VanDerWaalsContact O-N 3.09Å
204E98.4Very high98.4Very high54 Ų5462.6 Ų62.625%0.25231%0.314SS..Hα-helixtrans-49.1-33.6171.1-84.3-162-127.700113.3R190 R193 A197 I207 K208R190-E204 IonicContact CZ-OE1 2.74Å; R190-E204 IonicContact CZ-OE2 3.52Å; R190-E204 VanDerWaalsContact CZ-OE2 3.3Å; R190-E204 IonicContact NH1-OE1 3.09Å; R190-E204 PolarHBondContact NH1-OE1 2.85Å; R190-E204 IonicContact NH1-OE2 3.93Å; R190-E204 PolarHBondContact NH1-OE2 3.42Å; R190-E204 IonicContact NH2-OE1 3.66Å; R190-E204 PolarHBondContact NH2-OE1 3.28Å; R190-E204 IonicContact NH2-OE2 2.7Å; R193-E204 WeakPolarHBondContact CD-O 3.45Å; R193-E204 WeakPolarHBondContact CD-OE2 3.34Å; R193-E204 HydrophobicContact CG-CB 4.49Å; R193-E204 HydrophobicContact CG-CG 4.21Å; R193-E204 IonicContact CZ-OE2 3.01Å; R193-E204 IonicContact NH1-OE2 3.3Å; R193-E204 PolarHBondContact NH1-OE2 2.86Å; A197-E204 HydrophobicContact CB-CG 4.33Å; E204-I207 PolarHBondContact O-N 3.36Å; E204-K208 VanDerWaalsContact O-CB 3.32Å; E204-K208 WeakPolarHBondContact O-CB 3.36Å; E204-K208 PolarHBondContact O-N 2.89Å
205R97.9Very high98.3Very high183 Ų18363.3 Ų63.369%0.69131%0.312SS*.Hα-helixtrans-66.3-41.4177.9-172.8176.4-178.9-82.7-0.5111.5S203 K208 I209S203-R205 PolarHBondContact O-N 3.11Å; R205-K208 PolarHBondContact O-N 3.07Å; R205-I209 HydrophobicContact CG-CD1 3.93Å; R205-I209 WeakPolarHBondContact O-CB 3.33Å; R205-I209 WeakPolarHBondContact O-CD1 3.42Å; R205-I209 VanDerWaalsContact O-CG1 3.23Å; R205-I209 WeakPolarHBondContact O-CG1 3.42Å; R205-I209 PolarHBondContact O-N 3.24Å
206Q98.3Very high98.3Very high56 Ų5665.3 Ų65.326%0.26232%0.323SS..Hα-helixtrans-63.6-46.2173-75.4158.3-65.500110.9Y170 L202 S203 K208 I209 W210Y170-Q206 HydrophobicContact CE1-CB 4.46Å; Y170-Q206 WeakPolarHBondContact OH-CB 3.44Å; L202-Q206 HydrophobicContact CB-CB 4.41Å; S203-Q206 WeakPolarHBondContact O-CA 3.4Å; S203-Q206 WeakPolarHBondContact O-CB 3.46Å; S203-Q206 PolarHBondContact O-N 3.35Å; S203-Q206 WeakPolarHBondContact OG-CG 3.24Å; S203-Q206 PolarHBondContact OG-N 3.29Å; S203-Q206 PolarHBondContact OG-OE1 3.04Å; Q206-K208 PolarHBondContact O-N 3.47Å; Q206-I209 PolarHBondContact O-N 2.94Å; Q206-W210 WeakPolarHBondContact O-CB 3.27Å; Q206-W210 PolarHBondContact O-N 3.09Å
207I98.6Very high98.2Very high0 Ų070.6 Ų70.60%035%0.346CS..Hα-helixtrans-58.2-48.4175.7-52.9-60.1000111L178 L188 R193 I196 A197 L202 S203 E204 I209 W210 F211L178-I207 HydrophobicContact CD2-CD1 3.85Å; L188-I207 HydrophobicContact CD1-CG2 3.46Å; L188-I207 VanDerWaalsContact CD1-CG2 3.46Å; R193-I207 HydrophobicContact CG-CB 3.93Å; R193-I207 HydrophobicContact CG-CG2 3.7Å; I196-I207 HydrophobicContact CG2-CD1 3.91Å; A197-I207 HydrophobicContact CB-CG1 4.1Å; L202-I207 HydrophobicContact CB-CD1 3.86Å; L202-I207 HydrophobicContact CB-CG1 4.43Å; L202-I207 HydrophobicContact CD1-CD1 4.01Å; S203-I207 PolarHBondContact O-N 2.9Å; S203-I207 VanDerWaalsContact O-N 3.09Å; E204-I207 PolarHBondContact O-N 3.36Å; I207-I209 PolarHBondContact O-N 3.41Å; I207-W210 PolarHBondContact O-N 3.33Å; I207-F211 HydrophobicContact CG2-CD2 4.11Å; I207-F211 HydrophobicContact CG2-CE2 4.39Å; I207-F211 PolarHBondContact O-N 3.17Å
208K98.3Very high98Very high132 Ų13274.3 Ų74.357%0.57436%0.358SS*.Hα-helixtrans-58.9-44.9177.7-177.4-177.2177.9-177.10112.1E204 R205 Q206 Q212E204-K208 VanDerWaalsContact O-CB 3.32Å; E204-K208 WeakPolarHBondContact O-CB 3.36Å; E204-K208 PolarHBondContact O-N 2.89Å; R205-K208 PolarHBondContact O-N 3.07Å; Q206-K208 PolarHBondContact O-N 3.47Å; K208-Q212 WeakPolarHBondContact O-CB 3.33Å; K208-Q212 PolarHBondContact O-N 3.04Å
209I98.4Very high97.9Very high66 Ų6672.8 Ų72.834%0.33835%0.35SS..Hα-helixtrans-67.8-43179.1-71.2168000110.8R205 Q206 I207 F211 Q212 N213R205-I209 HydrophobicContact CG-CD1 3.93Å; R205-I209 WeakPolarHBondContact O-CB 3.33Å; R205-I209 WeakPolarHBondContact O-CD1 3.42Å; R205-I209 VanDerWaalsContact O-CG1 3.23Å; R205-I209 WeakPolarHBondContact O-CG1 3.42Å; R205-I209 PolarHBondContact O-N 3.24Å; Q206-I209 PolarHBondContact O-N 2.94Å; I207-I209 PolarHBondContact O-N 3.41Å; I209-F211 PolarHBondContact O-N 3.17Å; I209-Q212 PolarHBondContact O-N 3.13Å; I209-N213 VanDerWaalsContact O-CG 3.26Å; I209-N213 PolarHBondContact O-N 3.02Å
210W98.5Very high97.7Very high31 Ų3174.9 Ų74.912%0.11735%0.35CS..Hα-helixtrans-61-46.7177.4-169.5104.9000111Y170 L178 E179 F182 Q206 I207 Q212 N213 R214Y170-W210 AromaticContact CE2-CD1 3.81Å; L178-W210 VanDerWaalsContact C-CH2 3.45Å; L178-W210 HydrophobicContact CB-CD2 3.93Å; L178-W210 HydrophobicContact CB-CE3 3.99Å; L178-W210 HydrophobicContact CB-CH2 3.72Å; L178-W210 HydrophobicContact CB-CZ2 3.62Å; L178-W210 HydrophobicContact CB-CZ3 3.89Å; L178-W210 HydrophobicContact CD1-CD2 3.97Å; L178-W210 HydrophobicContact CD1-CG 3.88Å; L178-W210 HydrophobicContact CD2-CD2 4.35Å; L178-W210 HydrophobicContact CD2-CE3 4.27Å; L178-W210 HydrophobicContact CG-CD2 4.31Å; L178-W210 WeakPolarHBondContact O-CH2 3.33Å; L178-W210 WeakPolarHBondContact O-CZ3 3.32Å; E179-W210 HydrophobicContact CG-CH2 3.87Å; E179-W210 HydrophobicContact CG-CZ2 3.84Å; F182-W210 HydrophobicContact CB-CH2 4.23Å; F182-W210 HydrophobicContact CB-CZ3 4.01Å; F182-W210 HydrophobicContact CG-CZ3 4.44Å; Q206-W210 WeakPolarHBondContact O-CB 3.27Å; Q206-W210 PolarHBondContact O-N 3.09Å; I207-W210 PolarHBondContact O-N 3.33Å; W210-Q212 VanDerWaalsContact C-N 3.3Å; W210-Q212 PolarHBondContact O-N 3.25Å; W210-N213 PolarHBondContact O-N 3.34Å; W210-R214 HydrophobicContact CD2-CB 4.47Å; W210-R214 HydrophobicContact CE3-CB 3.9Å; W210-R214 HydrophobicContact CE3-CG 4.48Å; W210-R214 HydrophobicContact CH2-CB 3.88Å; W210-R214 HydrophobicContact CH2-CG 3.58Å; W210-R214 HydrophobicContact CZ2-CB 4.47Å; W210-R214 HydrophobicContact CZ2-CG 4.34Å; W210-R214 HydrophobicContact CZ3-CB 3.57Å; W210-R214 HydrophobicContact CZ3-CG 3.67Å; W210-R214 WeakPolarHBondContact O-CB 3.37Å; W210-R214 PolarHBondContact O-N 2.86Å
211F98.7Very high97.3Very high7 Ų778.3 Ų78.33%0.03137%0.368CS..Hα-helixtrans-67.5-25.1176.3-91.3-100.5000113.9L178 E181 F182 L188 I207 I209 R215L178-F211 HydrophobicContact CD2-CD2 4.5Å; L178-F211 HydrophobicContact CD2-CE2 3.96Å; E181-F211 HydrophobicContact CB-CZ 4.03Å; F182-F211 HydrophobicContact CB-CE1 4.05Å; F182-F211 HydrophobicContact CB-CZ 4.14Å; F182-F211 AromaticContact CD2-CD1 3.99Å; F182-F211 HydrophobicContact CD2-CD1 3.99Å; F182-F211 AromaticContact CD2-CE1 3.87Å; F182-F211 HydrophobicContact CD2-CE1 3.87Å; F182-F211 HydrophobicContact CG-CE1 4.48Å; L188-F211 HydrophobicContact CD1-CD1 4.24Å; L188-F211 HydrophobicContact CD1-CD2 3.63Å; L188-F211 HydrophobicContact CD1-CE1 4.12Å; L188-F211 HydrophobicContact CD1-CE2 3.53Å; L188-F211 HydrophobicContact CD1-CG 4.02Å; L188-F211 HydrophobicContact CD1-CZ 3.78Å; L188-F211 HydrophobicContact CD2-CE1 3.87Å; L188-F211 HydrophobicContact CD2-CE2 4.42Å; L188-F211 HydrophobicContact CD2-CZ 3.81Å; L188-F211 HydrophobicContact CG-CD1 3.86Å; L188-F211 HydrophobicContact CG-CD2 4.18Å; L188-F211 HydrophobicContact CG-CE1 3.65Å; L188-F211 HydrophobicContact CG-CE2 4.02Å; L188-F211 HydrophobicContact CG-CG 4.11Å; L188-F211 HydrophobicContact CG-CZ 3.76Å; I207-F211 HydrophobicContact CG2-CD2 4.11Å; I207-F211 HydrophobicContact CG2-CE2 4.39Å; I207-F211 PolarHBondContact O-N 3.17Å; I209-F211 PolarHBondContact O-N 3.17Å; F211-R215 WeakPolarHBondContact O-CB 3.46Å; F211-R215 WeakPolarHBondContact O-CG 3.49Å; F211-R215 PolarHBondContact O-N 2.92Å; F211-R215 PolarHBondContact O-NE 2.88Å
212Q98.6Very high96.7Very high88 Ų8878.7 Ų78.741%0.41136%0.358SS..Hα-helixtrans-70.9-48.1169.3-172.86440.500110.8K208 I209 W210 R215 M216K208-Q212 WeakPolarHBondContact O-CB 3.33Å; K208-Q212 PolarHBondContact O-N 3.04Å; I209-Q212 PolarHBondContact O-N 3.13Å; W210-Q212 VanDerWaalsContact C-N 3.3Å; W210-Q212 PolarHBondContact O-N 3.25Å; Q212-R215 PolarHBondContact O-N 3.3Å; Q212-M216 WeakPolarHBondContact O-CG 3.01Å; Q212-M216 PolarHBondContact O-N 2.93Å
213N98.2Very high95.3Very high101 Ų10185.6 Ų85.654%0.5439%0.388SS..Hα-helixtrans-63.4-42.6178.9-67-11.1000111.8I209 W210 R215 M216 K217I209-N213 VanDerWaalsContact O-CG 3.26Å; I209-N213 PolarHBondContact O-N 3.02Å; W210-N213 PolarHBondContact O-N 3.34Å; N213-R215 PolarHBondContact O-N 3.12Å; N213-M216 PolarHBondContact O-N 2.75Å; N213-K217 PolarHBondContact O-N 3.08Å
214R98.3Very high93.5Very high35 Ų3588.8 Ų88.813%0.13240%0.399CS..Hα-helixtrans-65.7-38.4179.5-168.566.7-179.588.9-10.7112.4E179 F182 W210 W218E179-R214 IonicContact OE1-CZ 3.29Å; E179-R214 VanDerWaalsContact OE1-CZ 3.29Å; E179-R214 IonicContact OE1-NE 2.82Å; E179-R214 PolarHBondContact OE1-NE 3.03Å; E179-R214 IonicContact OE1-NH2 3.8Å; E179-R214 PolarHBondContact OE1-NH2 3.24Å; F182-R214 HydrophobicContact CB-CG 4.39Å; F182-R214 HydrophobicContact CD1-CG 3.6Å; F182-R214 HydrophobicContact CD2-CB 4.2Å; F182-R214 HydrophobicContact CD2-CG 3.74Å; F182-R214 HydrophobicContact CE1-CG 3.72Å; F182-R214 HydrophobicContact CE2-CB 4.23Å; F182-R214 HydrophobicContact CE2-CG 3.87Å; F182-R214 HydrophobicContact CG-CG 3.62Å; F182-R214 HydrophobicContact CZ-CG 3.85Å; W210-R214 HydrophobicContact CD2-CB 4.47Å; W210-R214 HydrophobicContact CE3-CB 3.9Å; W210-R214 HydrophobicContact CE3-CG 4.48Å; W210-R214 HydrophobicContact CH2-CB 3.88Å; W210-R214 HydrophobicContact CH2-CG 3.58Å; W210-R214 HydrophobicContact CZ2-CB 4.47Å; W210-R214 HydrophobicContact CZ2-CG 4.34Å; W210-R214 HydrophobicContact CZ3-CB 3.57Å; W210-R214 HydrophobicContact CZ3-CG 3.67Å; W210-R214 WeakPolarHBondContact O-CB 3.37Å; W210-R214 PolarHBondContact O-N 2.86Å; R214-W218 VanDerWaalsContact O-CB 3.24Å; R214-W218 WeakPolarHBondContact O-CB 3.49Å; R214-W218 PolarHBondContact O-N 3.36Å
215R97.9Very high91.8Very high55 Ų5592 Ų9221%0.20843%0.425CS..Hα-helixtrans-65.7-38.9170.8-78.2-178.2-71.1136.96.5112.5F182 R186 F211 Q212 N213 W218 K219F182-R215 HydrophobicContact CE2-CG 3.74Å; F182-R215 HydrophobicContact CZ-CG 4.33Å; R186-R215 VanDerWaalsContact O-CD 3.31Å; R186-R215 WeakPolarHBondContact O-CD 3.45Å; F211-R215 WeakPolarHBondContact O-CB 3.46Å; F211-R215 WeakPolarHBondContact O-CG 3.49Å; F211-R215 PolarHBondContact O-N 2.92Å; F211-R215 PolarHBondContact O-NE 2.88Å; Q212-R215 PolarHBondContact O-N 3.3Å; N213-R215 PolarHBondContact O-N 3.12Å; R215-W218 PolarHBondContact O-N 2.75Å; R215-K219 WeakPolarHBondContact O-CB 3.16Å; R215-K219 PolarHBondContact O-N 3.18Å
216M97.8Very high89.5Confident101 Ų10190 Ų9050%0.49843%0.428SS..Hα-helixtrans-67.4-41.2176.8-70.7-68.3-89.100112Q212 N213 K219 K220Q212-M216 WeakPolarHBondContact O-CG 3.01Å; Q212-M216 PolarHBondContact O-N 2.93Å; N213-M216 PolarHBondContact O-N 2.75Å; M216-K219 PolarHBondContact O-N 3.06Å; M216-K220 PolarHBondContact O-N 2.88Å; M216-K220 VanDerWaalsContact O-N 3.11Å
217K96.3Very high87.3Confident119 Ų11993.4 Ų93.452%0.51745%0.453SS..Hα-helixtrans-60.6-54169.8176.6174.9177.5-172.50110.9N213 K219 K220 D221N213-K217 PolarHBondContact O-N 3.08Å; K217-K219 VanDerWaalsContact C-N 3.25Å; K217-K219 PolarHBondContact O-N 2.82Å; K217-K220 WeakPolarHBondContact O-CA 3.2Å; K217-K220 WeakPolarHBondContact O-CB 3.21Å; K217-K220 PolarHBondContact O-N 2.79Å; K217-D221 VanDerWaalsContact CE-OD2 3.27Å; K217-D221 WeakPolarHBondContact CE-OD2 3.4Å; K217-D221 VanDerWaalsContact CG-OD2 3.24Å; K217-D221 WeakPolarHBondContact CG-OD2 3.37Å; K217-D221 PolarHBondContact O-N 2.91Å
218W95.4Very high85.2Confident85 Ų85102.4 Ų102.432%0.32249%0.492SS..Hα-helixtrans-55-39.7178.2-177.480.3000112.5F182 R186 R214 R215 D221 H222F182-W218 HydrophobicContact CE1-CB 4.19Å; F182-W218 HydrophobicContact CE1-CG 4.2Å; F182-W218 HydrophobicContact CZ-CB 3.88Å; F182-W218 HydrophobicContact CZ-CG 4.04Å; R186-W218 VanDerWaalsContact NE-CE2 3.33Å; R214-W218 VanDerWaalsContact O-CB 3.24Å; R214-W218 WeakPolarHBondContact O-CB 3.49Å; R214-W218 PolarHBondContact O-N 3.36Å; R215-W218 PolarHBondContact O-N 2.75Å; W218-D221 PolarHBondContact O-N 3.12Å; W218-H222 AromaticContact CD1-CD2 3.28Å; W218-H222 AromaticContact CD1-NE2 3.38Å; W218-H222 AromaticContact CE2-CD2 3.59Å; W218-H222 AromaticContact CE2-CG 3.86Å; W218-H222 AromaticContact CE2-NE2 3.91Å; W218-H222 AromaticContact CG-CD2 3.9Å; W218-H222 HydrophobicContact CZ2-CB 4.35Å; W218-H222 AromaticContact NE1-CD2 3.03Å; W218-H222 PolarHBondContact NE1-CD2 2.57Å; W218-H222 AromaticContact NE1-CE1 3.67Å; W218-H222 AromaticContact NE1-CG 3.7Å; W218-H222 AromaticContact NE1-NE2 2.98Å; W218-H222 PolarHBondContact NE1-NE2 2.95Å; W218-H222 WeakPolarHBondContact O-CB 3.29Å; W218-H222 PolarHBondContact O-CD2 3.32Å; W218-H222 PolarHBondContact O-N 3.4Å
219K94.9Very high83.1Confident110 Ų110102.3 Ų102.348%0.47850%0.502SS..Hα-helixtrans-61.2-44.6173.1-172.6-17871.2169.80111.8R215 M216 K217 K223R215-K219 WeakPolarHBondContact O-CB 3.16Å; R215-K219 PolarHBondContact O-N 3.18Å; M216-K219 PolarHBondContact O-N 3.06Å; K217-K219 VanDerWaalsContact C-N 3.25Å; K217-K219 PolarHBondContact O-N 2.82Å; K219-K223 HydrophobicContact CG-CG 4.01Å; K219-K223 WeakPolarHBondContact O-CB 3.08Å; K219-K223 WeakPolarHBondContact O-CG 3.47Å; K219-K223 PolarHBondContact O-N 3.43Å; K219-K223 VanDerWaalsContact O-N 3.16Å
220K94.2Very high80.8Confident150 Ų150110.9 Ų110.965%0.65253%0.53SS*.Hα-helixtrans-63-49.4176.6-174.3176.8179178.40110.9M216 K217 H222 K223M216-K220 PolarHBondContact O-N 2.88Å; M216-K220 VanDerWaalsContact O-N 3.11Å; K217-K220 WeakPolarHBondContact O-CA 3.2Å; K217-K220 WeakPolarHBondContact O-CB 3.21Å; K217-K220 PolarHBondContact O-N 2.79Å; K220-H222 VanDerWaalsContact C-N 3.31Å; K220-H222 PolarHBondContact O-N 2.97Å; K220-K223 PolarHBondContact O-N 3.04Å
221D90Very high78.5Confident83 Ų83114.4 Ų114.444%0.44456%0.56SS.*Hα-helixtrans-62.5-34.9-176.1-56-12.8000112.2K217 W218K217-D221 VanDerWaalsContact CE-OD2 3.27Å; K217-D221 WeakPolarHBondContact CE-OD2 3.4Å; K217-D221 VanDerWaalsContact CG-OD2 3.24Å; K217-D221 WeakPolarHBondContact CG-OD2 3.37Å; K217-D221 PolarHBondContact O-N 2.91Å; W218-D221 PolarHBondContact O-N 3.12Å
222H84.6Confident75.9Confident124 Ų124117.8 Ų117.857%0.57460%0.597SS**THydrogen-bonded Turntrans-103.210.2-177.9-70.7-99.4000115.1W218 K220W218-H222 AromaticContact CD1-CD2 3.28Å; W218-H222 AromaticContact CD1-NE2 3.38Å; W218-H222 AromaticContact CE2-CD2 3.59Å; W218-H222 AromaticContact CE2-CG 3.86Å; W218-H222 AromaticContact CE2-NE2 3.91Å; W218-H222 AromaticContact CG-CD2 3.9Å; W218-H222 HydrophobicContact CZ2-CB 4.35Å; W218-H222 AromaticContact NE1-CD2 3.03Å; W218-H222 PolarHBondContact NE1-CD2 2.57Å; W218-H222 AromaticContact NE1-CE1 3.67Å; W218-H222 AromaticContact NE1-CG 3.7Å; W218-H222 AromaticContact NE1-NE2 2.98Å; W218-H222 PolarHBondContact NE1-NE2 2.95Å; W218-H222 WeakPolarHBondContact O-CB 3.29Å; W218-H222 PolarHBondContact O-CD2 3.32Å; W218-H222 PolarHBondContact O-N 3.4Å; K220-H222 VanDerWaalsContact C-N 3.31Å; K220-H222 PolarHBondContact O-N 2.97Å
223K69.6Low73.2Confident159 Ų159118.9 Ų118.969%0.69161%0.609SS**SBendtrans-107.1-1.8175-73.6-72.7169.5-162.40114.6K219 K220 P225K219-K223 HydrophobicContact CG-CG 4.01Å; K219-K223 WeakPolarHBondContact O-CB 3.08Å; K219-K223 WeakPolarHBondContact O-CG 3.47Å; K219-K223 PolarHBondContact O-N 3.43Å; K219-K223 VanDerWaalsContact O-N 3.16Å; K220-K223 PolarHBondContact O-N 3.04Å; K223-P225 WeakPolarHBondContact O-CD 3.27Å
224L59.7Low70.9Confident125 Ų125122 Ų12265%0.65463%0.626SS**  trans-10492.9173.8-69.3167.5000109.7
225P63.4Low68.1Low122 Ų122124.1 Ų124.179%0.79265%0.646SS**  trans-65.7136165.729.3-33.1000109.6K223K223-P225 WeakPolarHBondContact O-CD 3.27Å
226N49.7Very low65.7Low142 Ų142129.2 Ų129.276%0.75968%0.676SS**  trans59.978.8169.4-167.928.8000118.6
227T52.3Low62.8Low126 Ų126129.8 Ų129.877%0.77369%0.69SS**  trans-134.68913245.80000110.5V229T227-V229 PolarHBondContact O-N 3.3Å
228K54.3Low60.1Low189 Ų189129.3 Ų129.382%0.82270%0.702SS**  trans-72.136-178177.455.9-176.7-167.90113.7
229V54Low57.4Low130 Ų130130.6 Ų130.679%0.78872%0.724SS**  trans-137.848.1-171.3-155.10000114.7T227T227-V229 PolarHBondContact O-N 3.3Å
230R50.8Low54.8Low246 Ų246133.5 Ų133.593%0.92874%0.739SS**  trans-162.343.3150.6-116.8170.8-168.7-128.4-0.5116.7G232R230-G232 VanDerWaalsContact C-N 3.35Å; R230-G232 PolarHBondContact O-N 3.26Å
231S49.3Very low52Low106 Ų106132 Ų13274%0.74174%0.743SS**  trans-78.389.1154.6-63.50000108.5T233S231-T233 PolarHBondContact O-N 3.46Å
232G43.9Very low49.5Very low78 Ų78134.6 Ų134.680%0.80476%0.761SS**  trans-74.267.6177.900000112.4R230 N234R230-G232 VanDerWaalsContact C-N 3.35Å; R230-G232 PolarHBondContact O-N 3.26Å; G232-N234 PolarHBondContact O-N 2.64Å
233T43.3Very low47.1Very low110 Ų110133.6 Ų133.668%0.67577%0.768SS**  trans-75.2106.7174.9-51.90000109.3S231 S235S231-T233 PolarHBondContact O-N 3.46Å; T233-S235 WeakPolarHBondContact CG2-OG 3.33Å; T233-S235 PolarHBondContact O-N 3.4Å; T233-S235 VanDerWaalsContact O-N 3.12Å
234N48.3Very low45.5Very low167 Ų167130.4 Ų130.489%0.89377%0.771SS**  trans-82.883.5174.2-160.133.4000109.6G232G232-N234 PolarHBondContact O-N 2.64Å
235S40.1Very low44.4Very low79 Ų79129.4 Ų129.455%0.55278%0.775SS**  trans-137.395.2179.259.80000111T233 S237T233-S235 WeakPolarHBondContact CG2-OG 3.33Å; T233-S235 PolarHBondContact O-N 3.4Å; T233-S235 VanDerWaalsContact O-N 3.12Å; S235-S237 PolarHBondContact O-N 3.41Å
236I47.2Very low43.3Very low162 Ų162132.3 Ų132.383%0.83178%0.778SS**  trans-69.1118.5167.9-76162.2000108.3
237S38.1Very low42.7Very low113 Ų113132.2 Ų132.279%0.7978%0.777SS**  trans-158.591.6172.9-69.40000108.8S235S235-S237 PolarHBondContact O-N 3.41Å
238S39.8Very low41.9Very low110 Ų110137.1 Ų137.177%0.76978%0.781SS**  trans-89.7118.8-179.450.70000111.5
239S38.6Very low41.2Very low112 Ų112133.6 Ų133.678%0.78378%0.781SS**  trans-162120.2159.1-920000112.4
240Q39.2Very low40.8Very low170 Ų170133.5 Ų133.579%0.79479%0.786SS**  trans21.7118.6134.5-66175.360.400117.8
241T34.8Very low40.1Very low120 Ų120125.2 Ų125.274%0.73678%0.777SS**  50120.28365.50000113
242V39Very low40.2Very low136 Ų136126 Ų12682%0.82478%0.779SS**  cis-138.9-161.616.1-66.60000110
243S33.7Very low40.1Very low104 Ų104130.2 Ų130.273%0.72778%0.782SS**  cis-158.2162.56.242.30000113.7
244A36.7Very low40.1Very low91 Ų91135.5 Ų135.575%0.75279%0.792SS**  trans26.9150.2145.700000125.7
245S35.2Very low39.9Very low105 Ų105137 Ų13773%0.73479%0.785SS**  trans95.1106.9146.9-59.90000121.6
246Q40.9Very low40.3Very low182 Ų182142.2 Ų142.285%0.8580%0.798SS**  trans40.6130.1133.6-51.9-17719.400119.4
247N36.2Very low40.1Very low141 Ų141141.7 Ų141.775%0.75479%0.791SS**  -160.8-174.771.2-150.2-16000114.3
248R37.5Very low40.6Very low228 Ų228145.1 Ų145.186%0.8679%0.794SS**  trans-79.5179.3-177.5-50.8154.2-178.6-127.1-0.9111.1
249S39.3Very low41Very low116 Ų116145.7 Ų145.781%0.81179%0.793SS**  cis-155.5155.512.134.90000111.7
250S43.9Very low41.1Very low128 Ų128145.3 Ų145.390%0.89580%0.796SS**  trans-77.3141172.6-51.40000112.6
251G36.3Very low41.7Very low71 Ų71142.9 Ų142.973%0.73279%0.794SS**  trans-117.8138.2168.700000111.6
252P52.3Low42.5Very low122 Ų122148.8 Ų148.879%0.79282%0.819SS**  trans-83159.1-168.832.3-36.1000115.2
253L42.4Very low42.6Very low167 Ų167149.5 Ų149.587%0.87482%0.819SS**  trans-89111.8-173.8-165.491000112.1R255L253-R255 PolarHBondContact O-N 2.97Å; L253-R255 VanDerWaalsContact O-N 3.11Å
254Y42.8Very low43.1Very low222 Ų222151.8 Ų151.887%0.87182%0.824SS**  trans-7797.3174.8-96.6-84.7000112.6K256Y254-K256 PolarHBondContact O-N 3.38Å
255R43.1Very low43.5Very low197 Ų197155.2 Ų155.274%0.74383%0.828SS**  trans-80.899.3173.2-170.2-174.5-162.1176.94.6110.1L253 H257L253-R255 PolarHBondContact O-N 2.97Å; L253-R255 VanDerWaalsContact O-N 3.11Å; R255-H257 PolarHBondContact O-N 3.07Å
256K48.9Very low44Very low190 Ų190158.2 Ų158.283%0.82683%0.834SS**  trans-68116173.1-72.7-169.6176.2-173.30110.6Y254Y254-K256 PolarHBondContact O-N 3.38Å
257H42.4Very low44.2Very low150 Ų150156.7 Ų156.769%0.69483%0.833SS**PPolyproline II helixtrans-83.8126.2162.3-74.9-118.9000108.3R255R255-H257 PolarHBondContact O-N 3.07Å
258H50.3Low44.7Very low185 Ų185157.7 Ų157.786%0.85684%0.838SS**PPolyproline II helixtrans-92.3117158.9-103-101.7000107.5
259V47.5Very low45.2Very low123 Ų123152.7 Ų152.775%0.74584%0.836SS**PPolyproline II helixtrans-81.9151.5164.2-71.50000109.2
260A40.2Very low45.6Very low103 Ų103155.5 Ų155.585%0.85184%0.838SS**PPolyproline II helixtrans-78.5153.5172.400000110.7
261T52.1Low45.8Very low120 Ų120157.8 Ų157.874%0.73683%0.833SS**  trans-136.5116.9170.3-58.60000108.3
262L51.1Low46.7Very low244 Ų244165.7 Ų165.7100%1.27784%0.843SS**  trans47.70164-56.2174.1000115.8

Retrieved 262 of 262 residues in 78.4 ms (Link to these results)