A0A087XTM9_POEFO Loading...

BARX homeobox 1

AlphaFold DB , UniProt , Accession A0A087XTM9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 248 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
1M60.4Low52.3Low229 Ų229157.7 Ų157.7100%1.12883%0.833SS**  093.60-84.2-81.5162.800107.9
2Q50.8Low52.6Low169 Ų169162.1 Ų162.179%0.7983%0.832SS**  trans-175.1107.8166.3-127.175.375.700110.5
3H46.8Very low53.3Low160 Ų160157.2 Ų157.274%0.74182%0.817SS**  trans51.8170.1145.3-53.8-52000123.9
4P57Low53.6Low111 Ų111154.3 Ų154.372%0.72181%0.813SS**  -139.7172.9-54.740.9-23.7000115.3
5L57.6Low53.4Low171 Ų171154.7 Ų154.790%0.89582%0.816SS**  trans13.8129.9158.3-53.3176.1000123.3
6D52.9Low53.3Low153 Ų153153 Ų15382%0.81881%0.813SS**  trans-159.5102140.2-132.7-16.3000109.2
7M52Low52.9Low178 Ų178153.5 Ų153.588%0.87781%0.81SS**  60.2107.797.6-153.4175.8-99.300115.8
8G50.3Low52.9Low68 Ų68150 Ų15070%0.70180%0.797SS**  trans57.692.5136.900000119.3
9A47.1Very low52.5Low97 Ų97149.1 Ų149.180%0.80279%0.793SS**  trans-121.788.415100000108.8Y11A9-Y11 PolarHBondContact O-N 3Å
10H51.3Low52.6Low177 Ų177148.7 Ų148.782%0.81979%0.786SS**  trans-59105.3164.5-79.4-88000108.3Y12H10-Y12 PolarHBondContact O-N 2.97Å
11Y49.6Very low52.6Low222 Ų222152 Ų15287%0.87179%0.788SS**  trans-72.796.4174.9-138.9-93.1000108.2A9 P13A9-Y11 PolarHBondContact O-N 3Å; Y11-P13 WeakPolarHBondContact O-CD 3.16Å
12Y55.4Low52Low210 Ų210145.4 Ų145.482%0.82476%0.76SS**PPolyproline II helixtrans-77.4120.5167.6-109.3-92.6000108.3H10H10-Y12 PolarHBondContact O-N 2.97Å
13P62.1Low52Low98 Ų98144 Ų14464%0.63675%0.753SS**PPolyproline II helixtrans-68142170.926.9-30.7000109.9Y11 D15Y11-P13 WeakPolarHBondContact O-CD 3.16Å; P13-D15 PolarHBondContact O-N 3.28Å
14P57.5Low52.4Low117 Ų117147.6 Ų147.676%0.7676%0.76SS**PPolyproline II helixtrans-65.6130.2-178.325.7-32.6000111V16P14-V16 PolarHBondContact O-N 3.48Å
15D50.2Low52.2Low160 Ų160152.6 Ų152.686%0.85677%0.766SS**  trans-53.4112.5175.1-146.9-30.4000110.1P13 Q17P13-D15 PolarHBondContact O-N 3.28Å; D15-Q17 PolarHBondContact O-N 3.08Å
16V52.3Low52.4Low128 Ų128151.5 Ų151.578%0.77675%0.75SS**  trans-75.994.7176.9178.50000107.1P14 P18P14-V16 PolarHBondContact O-N 3.48Å; V16-P18 WeakPolarHBondContact O-CD 3.02Å; V16-P18 VanDerWaalsContact O-N 3.13Å
17Q46.8Very low52.8Low162 Ų162148.4 Ų148.476%0.75774%0.741SS**  trans-47.1116.8165.4-101-111.4-67.300109.5D15 D19D15-Q17 PolarHBondContact O-N 3.08Å; Q17-D19 PolarHBondContact O-N 3.03Å; Q17-D19 VanDerWaalsContact O-N 3.08Å
18P52.7Low53.1Low90 Ų90149.8 Ų149.858%0.58474%0.742SS**  trans-73.7108.4178.727.6-30.4000108.7V16 H20V16-P18 WeakPolarHBondContact O-CD 3.02Å; V16-P18 VanDerWaalsContact O-N 3.13Å; P18-H20 PolarHBondContact O-N 3.16Å
19D44.3Very low53.8Low132 Ų132151 Ų15171%0.70673%0.731SS**  trans-53.8104.8169.6-89.4-47.5000110.2Q17 R21 T22Q17-D19 PolarHBondContact O-N 3.03Å; Q17-D19 VanDerWaalsContact O-N 3.08Å; D19-R21 PolarHBondContact O-N 3.08Å; D19-T22 PolarHBondContact O-N 3.17Å
20H55.3Low54.4Low141 Ų141153.1 Ų153.165%0.65373%0.727SS**G310 helixtrans-60.90.2172.1-60.3-61.3000113.6P18 T22P18-H20 PolarHBondContact O-N 3.16Å; H20-T22 VanDerWaalsContact C-N 3.26Å; H20-T22 PolarHBondContact O-N 2.95Å
21R52.6Low54.9Low220 Ų220151.1 Ų151.183%0.8372%0.718SS**G310 helixtrans-73.5-16.8178.1-165.1169.1176.6171.5-2.3113.2D19 H23D19-R21 PolarHBondContact O-N 3.08Å; R21-H23 VanDerWaalsContact C-N 3.34Å
22T47.3Very low55.3Low89 Ų89149 Ų14955%0.54672%0.716SS.*G310 helixtrans-84-7.3179.1-480000113.1D19 H20 R24 Y25 R26D19-T22 PolarHBondContact O-N 3.17Å; H20-T22 VanDerWaalsContact C-N 3.26Å; H20-T22 PolarHBondContact O-N 2.95Å; T22-R24 PolarHBondContact O-N 2.78Å; T22-Y25 PolarHBondContact O-N 3.23Å; T22-R26 HydrophobicContact CG2-CG 4.09Å
23H50.7Low55.5Low140 Ų140145.9 Ų145.965%0.64871%0.712SS**G310 helixtrans-64.7-12.2-179.3-101.9-73.8000115.4R21 Y25R21-H23 VanDerWaalsContact C-N 3.34Å; H23-Y25 VanDerWaalsContact C-N 3.3Å; H23-Y25 PolarHBondContact O-N 2.9Å
24R55.7Low55.3Low235 Ų235148.6 Ų148.689%0.88772%0.72SS**G310 helixtrans-82.4-2.1-179-103.1-167.5-82.5158.1-8.2114.8T22T22-R24 PolarHBondContact O-N 2.78Å
25Y53.3Low55.3Low216 Ų216148.4 Ų148.485%0.84772%0.717SS**G310 helixtrans-152.546176.6-150.2-96.4000113.7T22 H23T22-Y25 PolarHBondContact O-N 3.23Å; H23-Y25 VanDerWaalsContact C-N 3.3Å; H23-Y25 PolarHBondContact O-N 2.9Å
26R61.7Low55.3Low149 Ų149148.3 Ų148.356%0.56272%0.717SS**  trans-14559.7177.2-73.4-66.5-179.8-159.1-1.2112.9T22 M29T22-R26 HydrophobicContact CG2-CG 4.09Å; R26-M29 PolarHBondContact NH1-SD 3.37Å
27S60.3Low55.2Low88 Ų88150.3 Ų150.362%0.61572%0.717SS**SBendtrans-146.929.3165.4-47.90000113.4
28F58.2Low55.5Low207 Ų207146.8 Ų146.891%0.90871%0.709SS**  trans-133.624.8167.1-59.8-80.4000111.1I30F28-I30 PolarHBondContact O-N 3.2Å
29M64.5Low54.9Low93 Ų93149.6 Ų149.646%0.45871%0.714SS.*  trans-80.1116.6164.8-66.2-97.1-75.900105.8R26 E31R26-M29 PolarHBondContact NH1-SD 3.37Å; M29-E31 WeakPolarHBondContact CE-OE2 3.11Å; M29-E31 PolarHBondContact O-N 2.99Å
30I61.2Low54.9Low141 Ų141152.8 Ų152.872%0.72372%0.724SS**G310 helixtrans-56.7-8-178.4-68.3157000112.9F28 E32 I33F28-I30 PolarHBondContact O-N 3.2Å; I30-E32 VanDerWaalsContact C-N 3.32Å; I30-E32 PolarHBondContact O-N 3.19Å; I30-I33 PolarHBondContact O-N 3.43Å
31E60.4Low54.4Low136 Ų136155 Ų15564%0.63673%0.732SS**G310 helixtrans-72.5-13.8-174.7-66173.817200114.8M29 I33M29-E31 WeakPolarHBondContact CE-OE2 3.11Å; M29-E31 PolarHBondContact O-N 2.99Å; E31-I33 VanDerWaalsContact C-N 3.28Å
32E58.6Low53.8Low177 Ų177151.6 Ų151.683%0.82774%0.736SS**G310 helixtrans-77.5-13.7172.5-162.7174.5179.800112.7I30I30-E32 VanDerWaalsContact C-N 3.32Å; I30-E32 PolarHBondContact O-N 3.19Å
33I59.7Low53.5Low145 Ų145152.7 Ų152.774%0.74475%0.747SS**SBendtrans-89-19.5177.6-49.4174.6000111.4I30 E31I30-I33 PolarHBondContact O-N 3.43Å; E31-I33 VanDerWaalsContact C-N 3.28Å
34L58.3Low53Low154 Ų154150.6 Ų150.681%0.80675%0.754SS**SBendtrans-118.631-170.1-142.782.7000113.5
35T58.1Low52.6Low113 Ų113145.2 Ų145.269%0.69375%0.75SS**  trans-10686.9163.2-63.50000107.9H37T35-H37 PolarHBondContact O-N 3.3Å
36D49.5Very low52.6Low158 Ų158140.1 Ų140.185%0.84575%0.752SS**PPolyproline II helixtrans-67.9116.5170-132.7-87.3000108.3
37H49.7Very low52.4Low170 Ų170136.5 Ų136.579%0.78776%0.761SS**PPolyproline II helixtrans-101.4119.4173.2-142.7-56.5000107.7T35T35-H37 PolarHBondContact O-N 3.3Å
38P54.1Low52.1Low89 Ų89138.8 Ų138.858%0.57876%0.762SS**PPolyproline II helixtrans-84.8149.7-168.335.5-36.4000112
39E39.3Very low51.9Low148 Ų148137.1 Ų137.169%0.69276%0.761SS**  trans62.499.9162.8-46-54.8117.600119
40H44Very low51.6Low199 Ų199139.1 Ų139.192%0.92177%0.773SS**  -158.3112.7124-92.6-64.1000110.9
41K44.6Very low51.5Low189 Ų189138.9 Ų138.982%0.82277%0.767SS**  trans-68.8119.8172.6-71.5170176.3171.20111
42T41.2Very low51.3Low147 Ų147141.9 Ų141.990%0.90278%0.778SS**  trans-148.9145.2138.547.40000109.9
43S40.5Very low51.3Low113 Ų113135.9 Ų135.979%0.7976%0.764SS**  trans-80136.1-163.255.60000115.5
44A39.8Very low51.7Low96 Ų96132.4 Ų132.479%0.79375%0.749SS**  trans56.7158.614500000120
45P47.8Very low51.8Low122 Ų122131.5 Ų131.579%0.79274%0.741SS**  cis-120.2156.16.137.6-22.3000115.3
46A53.7Low51.8Low108 Ų108129.1 Ų129.189%0.89373%0.733SS**  trans-51.9135.9165.100000111.7
47G56.2Low52.3Low73 Ų73128.3 Ų128.375%0.75373%0.728SS**  trans157.1-19.1157.900000119.8
48E55.1Low53Low137 Ų137126.7 Ų126.764%0.6472%0.724SS**  trans-108.48.2-163.5-72.7-137.8132.200117.7L50 K51E48-L50 PolarHBondContact O-N 2.85Å; E48-K51 IonicContact OE1-NZ 2.86Å; E48-K51 PolarHBondContact OE1-NZ 3.24Å
49L54.6Low53.1Low171 Ų171126 Ų12690%0.89572%0.722SS**THydrogen-bonded Turntrans-90.516-178.4-14473.5000115.8
50L58Low53.7Low135 Ų135122.2 Ų122.271%0.70772%0.716SS**THydrogen-bonded Turntrans-120.94.6174.4-68.7175.5000114.2E48 F52 V54E48-L50 PolarHBondContact O-N 2.85Å; L50-F52 VanDerWaalsContact C-N 3.35Å; L50-F52 PolarHBondContact O-N 2.86Å; L50-V54 HydrophobicContact CB-CG2 4.26Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.47Å; L50-V54 PolarHBondContact O-N 2.73Å
51K57.9Low54.5Low137 Ų137123.4 Ų123.460%0.59671%0.712SS**Hα-helixtrans-77.1-16.6-170.7-149.4172.2-173.1175.60114.7E48E48-K51 IonicContact OE1-NZ 2.86Å; E48-K51 PolarHBondContact OE1-NZ 3.24Å
52F56.9Low54.9Low199 Ų199119.9 Ų119.987%0.87371%0.708SS**Hα-helixtrans-81.7-27.9177.1-67.4-75.3000113.5L50L50-F52 VanDerWaalsContact C-N 3.35Å; L50-F52 PolarHBondContact O-N 2.86Å
53G58.5Low55.1Low50 Ų50123.2 Ų123.252%0.51571%0.711SS.*Hα-helixtrans-96.3-35.6-177.200000114.3A56 L57G53-A56 PolarHBondContact O-N 2.73Å; G53-L57 PolarHBondContact O-N 3.14Å
54V67.5Low55.4Low72 Ų72124.7 Ų124.744%0.43671%0.705SS.*Hα-helixtrans-72.9-36-172.6175.40000112L50 A56 L57 L58L50-V54 HydrophobicContact CB-CG2 4.26Å; L50-V54 VanDerWaalsContact O-CG2 3.29Å; L50-V54 WeakPolarHBondContact O-CG2 3.47Å; L50-V54 PolarHBondContact O-N 2.73Å; V54-A56 VanDerWaalsContact C-N 3.32Å; V54-A56 PolarHBondContact O-N 3.03Å; V54-L57 PolarHBondContact O-N 3.49Å; V54-L58 HydrophobicContact CG1-CD1 3.56Å; V54-L58 HydrophobicContact CG1-CG 4.23Å; V54-L58 WeakPolarHBondContact O-CB 3.46Å; V54-L58 WeakPolarHBondContact O-CG 3.41Å; V54-L58 PolarHBondContact O-N 3.46Å
55Q59.8Low56Low135 Ų135125.4 Ų125.463%0.63170%0.704SS**Hα-helixtrans-65.6-33.8176.8-168.168.111.700112.2S59Q55-S59 WeakPolarHBondContact O-CB 3.24Å; Q55-S59 PolarHBondContact O-N 2.91Å; Q55-S59 PolarHBondContact O-OG 3.36Å
56A58.3Low55.7Low64 Ų64125.4 Ų125.453%0.52969%0.693SS.*Hα-helixtrans-71-33.2176.400000112.4G53 V54 S59 A60G53-A56 PolarHBondContact O-N 2.73Å; V54-A56 VanDerWaalsContact C-N 3.32Å; V54-A56 PolarHBondContact O-N 3.03Å; A56-S59 PolarHBondContact O-OG 3.47Å; A56-A60 PolarHBondContact O-N 2.92Å
57L60Low55.1Low140 Ų140128 Ų12873%0.73369%0.692SS**Hα-helixtrans-78.2-37.1178.6-167.862000112.4G53 V54G53-L57 PolarHBondContact O-N 3.14Å; V54-L57 PolarHBondContact O-N 3.49Å
58L64.6Low54.2Low136 Ų136130.3 Ų130.371%0.71269%0.69SS**Hα-helixtrans-79.9-21.8177.2-67.6170.3000113.3V54V54-L58 HydrophobicContact CG1-CD1 3.56Å; V54-L58 HydrophobicContact CG1-CG 4.23Å; V54-L58 WeakPolarHBondContact O-CB 3.46Å; V54-L58 WeakPolarHBondContact O-CG 3.41Å; V54-L58 PolarHBondContact O-N 3.46Å
59S56.2Low53.8Low76 Ų76131.9 Ų131.953%0.53170%0.702SS.*SBendtrans-86.3-6.1173.961.70000114.1Q55 A56 R61Q55-S59 WeakPolarHBondContact O-CB 3.24Å; Q55-S59 PolarHBondContact O-N 2.91Å; Q55-S59 PolarHBondContact O-OG 3.36Å; A56-S59 PolarHBondContact O-OG 3.47Å; S59-R61 VanDerWaalsContact C-N 3.28Å; S59-R61 PolarHBondContact O-N 3.36Å
60A53.1Low53Low68 Ų68132.7 Ų132.756%0.56270%0.699SS**  trans-69.888.417100000109.2A56A56-A60 PolarHBondContact O-N 2.92Å
61R60.2Low52.4Low224 Ų224131 Ų13185%0.84570%0.704SS**  trans-53.6130.4171-78.1-176157.8143-3.1109.1S59 F63S59-R61 VanDerWaalsContact C-N 3.28Å; S59-R61 PolarHBondContact O-N 3.36Å; R61-F63 PolarHBondContact O-N 3.02Å
62P53.9Low51.5Low115 Ų115131.9 Ų131.975%0.74772%0.715SS**  trans-59128.5166.923.7-29.6000107.6H64P62-H64 PolarHBondContact O-N 2.96Å
63F44.3Very low51.1Low217 Ų217131 Ų13195%0.95271%0.714SS**  trans-60.995166.1-91-91.9000107.4R61 S65R61-F63 PolarHBondContact O-N 3.02Å; F63-S65 PolarHBondContact O-N 3.1Å
64H46.8Very low50.7Low143 Ų143132.4 Ų132.466%0.66272%0.721SS**  trans-79.598.5173-164.148.4000106.9P62 Q66P62-H64 PolarHBondContact O-N 2.96Å; H64-Q66 WeakPolarHBondContact CD2-CG 3.41Å; H64-Q66 PolarHBondContact CE1-NE2 2.91Å; H64-Q66 WeakPolarHBondContact NE2-CG 3.29Å; H64-Q66 PolarHBondContact NE2-NE2 3.21Å; H64-Q66 VanDerWaalsContact NE2-NE2 3.16Å; H64-Q66 PolarHBondContact O-N 3.46Å
65S51.7Low49.8Very low111 Ų111135.8 Ų135.878%0.77674%0.736SS**  trans-7181.8167.255.60000109F63F63-S65 PolarHBondContact O-N 3.1Å
66Q41.3Very low49.5Very low122 Ų122136.8 Ų136.857%0.5775%0.746SS**  trans-96.491.9163.1-72.1-71.7-4000108H64 V68H64-Q66 WeakPolarHBondContact CD2-CG 3.41Å; H64-Q66 PolarHBondContact CE1-NE2 2.91Å; H64-Q66 WeakPolarHBondContact NE2-CG 3.29Å; H64-Q66 PolarHBondContact NE2-NE2 3.21Å; H64-Q66 VanDerWaalsContact NE2-NE2 3.16Å; H64-Q66 PolarHBondContact O-N 3.46Å; Q66-V68 VanDerWaalsContact C-N 3.26Å; Q66-V68 PolarHBondContact O-N 3.39Å; Q66-V68 VanDerWaalsContact O-N 3.08Å
67L41.1Very low49.2Very low164 Ų164141.4 Ų141.486%0.85976%0.76SS**  trans-66.196.9151.1-73165.5000106.3L69L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 3.22Å
68V38.6Very low48.4Very low120 Ų120144.1 Ų144.173%0.72777%0.766SS**  trans-67.697.7165172.20000106.8Q66 K70Q66-V68 VanDerWaalsContact C-N 3.26Å; Q66-V68 PolarHBondContact O-N 3.39Å; Q66-V68 VanDerWaalsContact O-N 3.08Å; V68-K70 VanDerWaalsContact C-N 3.26Å; V68-K70 HydrophobicContact CG1-CB 4.23Å; V68-K70 PolarHBondContact O-N 3.31Å; V68-K70 VanDerWaalsContact O-N 3.08Å
69L46Very low47.8Very low170 Ų170145.2 Ų145.289%0.8977%0.766SS**  trans-71.689.9157.1-75.8170.3000106.7L67 A71L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 3.22Å; L69-A71 PolarHBondContact O-N 3.03Å
70K37.9Very low47.6Very low188 Ų188147.6 Ų147.682%0.81778%0.779SS**  trans-86.3101.6156-132.5-162175.9179.90107.1V68 D72V68-K70 VanDerWaalsContact C-N 3.26Å; V68-K70 HydrophobicContact CG1-CB 4.23Å; V68-K70 PolarHBondContact O-N 3.31Å; V68-K70 VanDerWaalsContact O-N 3.08Å; K70-D72 PolarHBondContact O-N 3.48Å
71A45.5Very low47.4Very low99 Ų99151.5 Ų151.582%0.81879%0.79SS**  trans-63.7114.6161.500000107.7L69L69-A71 PolarHBondContact O-N 3.03Å
72D39.2Very low46.9Very low156 Ų156146.5 Ų146.583%0.83479%0.789SS**  trans-138.2132.5150.6-162.8-129.5000107.7K70K70-D72 PolarHBondContact O-N 3.48Å
73Q47.7Very low47.2Very low180 Ų180146.1 Ų146.184%0.84179%0.787SS**  trans-66.3155.5-175.8-81.3-168.648.700111.6
74A51.1Low47.2Very low81 Ų81143.8 Ų143.867%0.66978%0.783SS**  trans107.2128.8149.200000116.8
75N48.3Very low47Very low142 Ų142142 Ų14276%0.75979%0.787SS**  trans86.4106.2157.7-66-66.4000119.3
76L54.3Low46.5Very low157 Ų157142.2 Ų142.282%0.82279%0.787SS**  trans65.896.5138.2-65.2169.3000117K78L76-K78 PolarHBondContact O-N 3Å
77L50.6Low46.4Very low160 Ų160142.4 Ų142.484%0.83880%0.797SS**  trans-53.3104.5161.1-59.2173.7000110.2F79L77-F79 HydrophobicContact CB-CE2 4.45Å; L77-F79 HydrophobicContact CD2-CE2 4.35Å
78K44.7Very low46.6Very low197 Ų197143.1 Ų143.186%0.85780%0.801SS**  trans-121.686.7165.3-162.4169.4-179.4780109.4L76L76-K78 PolarHBondContact O-N 3Å
79F50.8Low46.6Very low160 Ų160141.1 Ų141.170%0.70280%0.804SS**  trans-69.6134163.6-70.1-85.5000109.2L77 L81L77-F79 HydrophobicContact CB-CE2 4.45Å; L77-F79 HydrophobicContact CD2-CE2 4.35Å; F79-L81 VanDerWaalsContact C-N 3.26Å; F79-L81 HydrophobicContact CB-CD1 4.45Å; F79-L81 PolarHBondContact O-N 2.67Å
80P53.1Low46.6Very low125 Ų125138.9 Ų138.981%0.81280%0.803SS**  trans-7585.2164.530.9-31.1000108.6
81L48.8Very low46.8Very low150 Ų150134.4 Ų134.479%0.78580%0.801SS**  trans-65.8126148.8-101.874.4000106.4F79 P83F79-L81 VanDerWaalsContact C-N 3.26Å; F79-L81 HydrophobicContact CB-CD1 4.45Å; F79-L81 PolarHBondContact O-N 2.67Å; L81-P83 WeakPolarHBondContact O-CD 3.23Å
82S50.1Low47.1Very low120 Ų120138.4 Ų138.484%0.83981%0.807SS**  trans-76.6114.8163-60.80000108.7
83P58.8Low47.1Very low106 Ų106134.6 Ų134.669%0.68881%0.805SS**  trans-89.2145.9154.436.2-28.3000108L81L81-P83 WeakPolarHBondContact O-CD 3.23Å
84L44.3Very low47.2Very low168 Ų168131.8 Ų131.888%0.8881%0.805SS**  -179.8110.3122.4-88.3174.1000108.3
85S42.3Very low47.3Very low106 Ų106133.5 Ų133.574%0.74181%0.809SS**  trans-82.2140.6164.7161.50000108.9
86C41.2Very low47.1Very low116 Ų116134.2 Ų134.278%0.78481%0.812SS**  trans-148.195153.8-750000107.1
87T39.7Very low46.9Very low126 Ų126135.3 Ų135.377%0.77382%0.818SS**  88.4119.895.244.40000115.7
88L46.3Very low46.4Very low179 Ų179132.2 Ų132.294%0.93781%0.81SS**  trans-32.3142.6159.7-76.5126.3000115.7
89G37.3Very low46.1Very low78 Ų78127.1 Ų127.180%0.80480%0.804SS**  trans-164.194.916000000110.6
90S47.7Very low45.9Very low122 Ų122124 Ų12485%0.85381%0.809SS**  trans-68.9137.1160.5-71.20000109.6
91A41.1Very low45.8Very low94 Ų94124.4 Ų124.478%0.77781%0.811SS**  trans-178122.813800000111.5
92L51.8Low45.5Very low183 Ų183121.1 Ų121.196%0.95881%0.814SS**  trans-1.2130.4146.3-54.6171.1000117.6
93G39.1Very low45.3Very low76 Ų76123 Ų12378%0.78481%0.813SS**  trans-176.875.2167.200000113.4
94S50.3Low44.8Very low121 Ų121126.9 Ų126.985%0.84682%0.822SS**  trans-91137.2143.9-68.10000107
95P51.9Low44.7Very low117 Ų117125.4 Ų125.476%0.7682%0.82SS**  -142.4131.5110.430.2-12.7000113.9
96L44Very low44.5Very low157 Ų157123.7 Ų123.782%0.82282%0.819SS**  38100.9121.7-145.3132.9000116.9
97L51.4Low45.2Very low181 Ų181124.5 Ų124.595%0.94882%0.823SS**  trans-93.1114153.7-140.286.4000108.8
98S39.4Very low45.2Very low94 Ų94123 Ų12366%0.65782%0.823SS**  trans-61.9147.2176.2-178.70000112.4
99A39.3Very low45Very low90 Ų90118.5 Ų118.574%0.74481%0.807SS**  trans-52.1151.7161.900000113.8
100A45.6Very low45.3Very low96 Ų96123.3 Ų123.379%0.79381%0.808SS**  trans-164.2155.3134.500000111.2
101P51.6Low45.3Very low133 Ų133125.1 Ų125.186%0.86480%0.803SS**  trans-116.6177.4-14838.9-24.9000114.2
102G43Very low45.7Very low81 Ų81127.9 Ų127.984%0.83580%0.803SS**  trans178.688.9166.700000115.1
103L46.3Very low45.7Very low159 Ų159123.6 Ų123.683%0.83279%0.787SS**  trans-84.7144.9164.8-91.1152.3000110.9
104Q46.5Very low46.2Very low187 Ų187127.7 Ų127.787%0.87479%0.79SS**  trans169.5118.5151.3-96.6171.195.600106.8
105V42.2Very low46Very low138 Ų138128.1 Ų128.184%0.83678%0.782SS**  cis51.4115.748.2-174.80000111.5
106G38.2Very low45.8Very low70 Ų70129.9 Ų129.972%0.72279%0.785SS**  cis-170.4-144.4600000108
107P57Low45.9Very low132 Ų132129.8 Ų129.886%0.85778%0.78SS**  -121.9-180-77.540.7-30.3000115.8
108A40.3Very low45.8Very low94 Ų94129.2 Ų129.278%0.77778%0.777SS**  trans74.8137159.600000116.8
109S40.8Very low45.9Very low86 Ų86136.3 Ų136.360%0.60179%0.789SS**  cis-175.4152.223.5-1410000112
110H43.8Very low45.7Very low178 Ų178135.7 Ų135.782%0.82479%0.791SS**  trans83.7122.6155.2-50.1-59.3000122.3
111H47Very low45.5Very low161 Ų161140.8 Ų140.875%0.74580%0.796SS**  trans105.588.8148.2-174.8-112.1000118.1
112L49.3Very low45.3Very low151 Ų151141.5 Ų141.579%0.79179%0.791SS**  trans-76148.2148-69.2169.1000109.1
113P51.8Low44.9Very low94 Ų94145.2 Ų145.261%0.6179%0.787SS**  -134.2129.712330.7-16.5000111.7D115P113-D115 PolarHBondContact O-N 3.38Å
114L50.2Low45Very low162 Ų162146.9 Ų146.985%0.84879%0.79SS**  trans-57.6123.2155-90.177.7000107.5
115D45.5Very low44.7Very low129 Ų129141.7 Ų141.769%0.6979%0.787SS**  trans-145.1124.4150.1-142.2-52.7000111.6P113 H117P113-D115 PolarHBondContact O-N 3.38Å; D115-H117 IonicContact OD1-CE1 2.93Å; D115-H117 PolarHBondContact OD1-CE1 2.86Å; D115-H117 IonicContact OD1-ND1 2.73Å; D115-H117 PolarHBondContact OD1-ND1 2.84Å
116L48.5Very low44.9Very low154 Ų154140 Ų14081%0.80679%0.787SS**  trans-89.998.2-175178.773.7000107.8
117H47Very low45.1Very low156 Ų156144.6 Ų144.672%0.72280%0.795SS**  trans-134.293172.5-78.285000112.3D115 R119D115-H117 IonicContact OD1-CE1 2.93Å; D115-H117 PolarHBondContact OD1-CE1 2.86Å; D115-H117 IonicContact OD1-ND1 2.73Å; D115-H117 PolarHBondContact OD1-ND1 2.84Å; H117-R119 PolarHBondContact O-N 2.86Å
118L49Very low44.2Very low169 Ų169141.4 Ų141.489%0.88579%0.786SS**  trans-68.1108.1155.8-106.575.1000109.1
119R40.2Very low44.6Very low242 Ų242141.3 Ų141.391%0.91380%0.795SS**  trans-165.4102.7157.8-159.893.5155-107.5-6.9109.6H117H117-R119 PolarHBondContact O-N 2.86Å
120G36.2Very low44.8Very low77 Ų77140.2 Ų140.279%0.79480%0.796SS**  trans-75.7170.6-170.900000115.8
121K40.3Very low45.3Very low203 Ų203141.8 Ų141.888%0.88380%0.801SS**  trans-167.7128.6144.3-157.1163.2165.6-168.90110.3
122L49Very low45.8Very low148 Ų148139.2 Ų139.278%0.77580%0.801SS**  trans-8.4131.7154.2-106123.3000116.6
123E34.3Very low46.4Very low159 Ų159141.6 Ų141.674%0.74381%0.805SS**  -168.6118.6126.6-81.8-44.6100.300107.6
124H47.9Very low47Very low195 Ų195146.9 Ų146.990%0.90382%0.818SS**  trans-130102.8162.3-95.358.3000106.5
125G39.2Very low47.7Very low77 Ų77142.1 Ų142.179%0.79481%0.809SS**  trans-59142.3177.100000112.1
126A47.1Very low49.1Very low102 Ų102146 Ų14684%0.84381%0.813SS**  trans-71.5136.8173.100000111.2
127D42Very low50.4Low168 Ų168149.7 Ų149.790%0.89882%0.817SS**  trans-168151.4130.1-156-102.5000110.9
128G39.7Very low52.1Low64 Ų64147.6 Ų147.666%0.6682%0.82SS**  trans107.388.9160.200000117
129G48.1Very low54Low93 Ų93149.6 Ų149.696%0.95982%0.816SS**  trans-57.7139.2177.600000115.6
130G44.3Very low56.3Low62 Ų62142.7 Ų142.764%0.63980%0.8SS**  trans178.492.5169.200000109.6S132G130-S132 PolarHBondContact O-N 2.81Å; G130-S132 PolarHBondContact O-OG 3.33Å
131K55.5Low59Low212 Ų212145.2 Ų145.292%0.92280%0.8SS**  trans-71.561.5174.8-37.1-169-172.7-171.10108.8K133K131-K133 PolarHBondContact O-N 3.4Å
132S56.8Low61.8Low106 Ų106137.6 Ų137.674%0.74177%0.767SS**  trans-68.9105.217243.10000106G130 K134G130-S132 PolarHBondContact O-N 2.81Å; G130-S132 PolarHBondContact O-OG 3.33Å; S132-K134 PolarHBondContact O-N 3.35Å
133K62.4Low64.1Low202 Ų202134.3 Ų134.388%0.87875%0.753SS**  trans-43.6104.6167.1-67.4176.6178.9173.70106.3K131 G135K131-K133 PolarHBondContact O-N 3.4Å; K133-G135 VanDerWaalsContact C-N 3.31Å; K133-G135 PolarHBondContact O-N 3.15Å
134K64.4Low67.1Low204 Ų204134.9 Ų134.989%0.88776%0.756SS**  trans-55.2100.3-177.2-164.287.7175.1-173.30106.3S132 R136S132-K134 PolarHBondContact O-N 3.35Å; K134-R136 PolarHBondContact O-N 2.67Å
135G64.2Low69.5Low63 Ų63131.5 Ų131.565%0.64974%0.744SS**PPolyproline II helixtrans-54.3133.7-172.800000108.8K133 R137K133-G135 VanDerWaalsContact C-N 3.31Å; K133-G135 PolarHBondContact O-N 3.15Å; G135-R137 PolarHBondContact O-N 3.43Å; G135-R137 VanDerWaalsContact O-N 3.15Å
136R75.4Confident72.3Confident209 Ų209129.5 Ų129.579%0.78971%0.714SS**PPolyproline II helixtrans-55.2125174.1-163.9175.7-152.2-105.23.7107.1K134 S138K134-R136 PolarHBondContact O-N 2.67Å; R136-S138 PolarHBondContact O-N 3.28Å; R136-S138 VanDerWaalsContact O-N 3.14Å
137R76.3Confident74.8Confident232 Ų232128.1 Ų128.188%0.87569%0.692SS**PPolyproline II helixtrans-52.5125.8177.1-67.7-178.6179.8124.7-2.7108.2G135G135-R137 PolarHBondContact O-N 3.43Å; G135-R137 VanDerWaalsContact O-N 3.15Å
138S80.9Confident77.4Confident113 Ų113126 Ų12679%0.7968%0.678SS**PPolyproline II helixtrans-56.3141.9176.2-171.90000109.3R136R136-S138 PolarHBondContact O-N 3.28Å; R136-S138 VanDerWaalsContact O-N 3.14Å
139R89.4Confident80.2Confident210 Ų210124 Ų12479%0.79266%0.657SS**PPolyproline II helixtrans-74.2128.1178.7-77.9178.1145.5162.9-7.3108.9
140T87.9Confident82.6Confident97 Ų97119.6 Ų119.660%0.59561%0.612SS**PPolyproline II helixtrans-76.5138.8171.1-43.20000110.3
141V94.5Very high85.2Confident131 Ų131118.9 Ų118.979%0.79459%0.592SS**  trans-109.2133170.3-176.30000107.8
142F97.6Very high87.2Confident43 Ų43115.3 Ų115.319%0.18958%0.576CS.*  trans-85.7148.3176.7-60.1-52.3000110.5Q146 L147 L174 Q178 W182F142-Q146 HydrophobicContact CB-CB 4.24Å; F142-L147 HydrophobicContact CB-CD2 3.92Å; F142-L147 HydrophobicContact CB-CG 4.03Å; F142-L147 HydrophobicContact CD2-CD2 4.11Å; F142-L147 HydrophobicContact CG-CD2 4.49Å; F142-L174 HydrophobicContact CD1-CD1 4.31Å; F142-L174 HydrophobicContact CD1-CD2 3.78Å; F142-L174 HydrophobicContact CE1-CD1 4.29Å; F142-L174 HydrophobicContact CE1-CD2 3.79Å; F142-Q178 HydrophobicContact CE1-CB 4.09Å; F142-Q178 HydrophobicContact CE1-CG 4.2Å; F142-Q178 HydrophobicContact CZ-CB 3.96Å; F142-Q178 HydrophobicContact CZ-CG 4.25Å; F142-W182 AromaticContact CD2-CD1 3.81Å; F142-W182 HydrophobicContact CE2-CB 4.33Å; F142-W182 AromaticContact CE2-CD1 3.66Å; F142-W182 HydrophobicContact CE2-CG 4.36Å
143T98.3Very high89.2Confident78 Ų78113.9 Ų113.948%0.47956%0.555SS.*  trans-69.6161.2173.770.10000110.8L145 Q146 L147T143-L145 VanDerWaalsContact C-N 3.33Å; T143-L145 PolarHBondContact O-N 3.46Å; T143-Q146 WeakPolarHBondContact O-CB 3.5Å; T143-Q146 PolarHBondContact O-N 3.13Å; T143-Q146 VanDerWaalsContact OG1-CG 3.24Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.45Å; T143-Q146 PolarHBondContact OG1-N 3.01Å; T143-Q146 PolarHBondContact OG1-OE1 3.08Å; T143-L147 WeakPolarHBondContact O-CG 3.15Å; T143-L147 PolarHBondContact O-N 2.86Å
144E97.6Very high90.9Very high172 Ų172104.3 Ų104.380%0.80451%0.513SS*.Hα-helixtrans-61.2-42178.5-175.5160.5-155.800112.2Q146 L147 M148E144-Q146 VanDerWaalsContact C-N 3.31Å; E144-Q146 PolarHBondContact O-N 2.94Å; E144-L147 PolarHBondContact O-N 2.79Å; E144-M148 WeakPolarHBondContact O-CB 3.36Å; E144-M148 PolarHBondContact O-N 3.13Å
145L98Very high92.5Very high123 Ų123100.6 Ų100.664%0.64450%0.499SS*.Hα-helixtrans-58.7-42.1175.1-177.363.2000111.9T143 M148 G149T143-L145 VanDerWaalsContact C-N 3.33Å; T143-L145 PolarHBondContact O-N 3.46Å; L145-M148 HydrophobicContact CD1-CE 3.93Å; L145-M148 PolarHBondContact O-N 2.95Å; L145-G149 PolarHBondContact O-N 3.35Å
146Q98.3Very high94.1Very high35 Ų35105.6 Ų105.616%0.16450%0.503CS..Hα-helixtrans-64.3-44.8176.5-73.9171.5-20.100111.6F142 T143 E144 M148 G149 L150 L172 L174F142-Q146 HydrophobicContact CB-CB 4.24Å; T143-Q146 WeakPolarHBondContact O-CB 3.5Å; T143-Q146 PolarHBondContact O-N 3.13Å; T143-Q146 VanDerWaalsContact OG1-CG 3.24Å; T143-Q146 WeakPolarHBondContact OG1-CG 3.45Å; T143-Q146 PolarHBondContact OG1-N 3.01Å; T143-Q146 PolarHBondContact OG1-OE1 3.08Å; E144-Q146 VanDerWaalsContact C-N 3.31Å; E144-Q146 PolarHBondContact O-N 2.94Å; Q146-M148 VanDerWaalsContact C-N 3.35Å; Q146-M148 PolarHBondContact O-N 2.97Å; Q146-G149 PolarHBondContact O-N 3.41Å; Q146-L150 WeakPolarHBondContact O-CB 3.48Å; Q146-L150 WeakPolarHBondContact O-CD1 3.47Å; Q146-L150 VanDerWaalsContact O-CG 3.23Å; Q146-L150 WeakPolarHBondContact O-CG 3.48Å; Q146-L150 PolarHBondContact O-N 2.97Å; Q146-L172 PolarHBondContact NE2-O 3.43Å; Q146-L172 VanDerWaalsContact NE2-O 3.1Å; Q146-L174 HydrophobicContact CB-CD1 4.49Å
147L98.4Very high95.2Very high74 Ų7498.1 Ų98.139%0.38748%0.477SS..Hα-helixtrans-61.7-43.4177.7-68.7174.5000111.7F142 T143 E144 L150 E151F142-L147 HydrophobicContact CB-CD2 3.92Å; F142-L147 HydrophobicContact CB-CG 4.03Å; F142-L147 HydrophobicContact CD2-CD2 4.11Å; F142-L147 HydrophobicContact CG-CD2 4.49Å; T143-L147 WeakPolarHBondContact O-CG 3.15Å; T143-L147 PolarHBondContact O-N 2.86Å; E144-L147 PolarHBondContact O-N 2.79Å; L147-L150 PolarHBondContact O-N 3.04Å; L147-E151 WeakPolarHBondContact O-CB 3.23Å; L147-E151 PolarHBondContact O-N 2.75Å
148M98.3Very high96.2Very high124 Ų12489.8 Ų89.861%0.61145%0.447SS*.Hα-helixtrans-62.8-43.6177.7-172174.764.500111.6E144 L145 Q146 E151 K152E144-M148 WeakPolarHBondContact O-CB 3.36Å; E144-M148 PolarHBondContact O-N 3.13Å; L145-M148 HydrophobicContact CD1-CE 3.93Å; L145-M148 PolarHBondContact O-N 2.95Å; Q146-M148 VanDerWaalsContact C-N 3.35Å; Q146-M148 PolarHBondContact O-N 2.97Å; M148-E151 PolarHBondContact O-N 3.02Å; M148-K152 VanDerWaalsContact O-CB 3.29Å; M148-K152 WeakPolarHBondContact O-CB 3.45Å; M148-K152 PolarHBondContact O-N 3.25Å
149G98.1Very high97Very high21 Ų2191.1 Ų91.122%0.21644%0.436CS..Hα-helixtrans-63-43.1175.600000113.1L145 Q146 R153L145-G149 PolarHBondContact O-N 3.35Å; Q146-G149 PolarHBondContact O-N 3.41Å; G149-R153 PolarHBondContact O-N 3.37Å; G149-R153 VanDerWaalsContact O-N 3.13Å
150L98.6Very high97.4Very high0 Ų082.8 Ų82.80%041%0.406CS..Hα-helixtrans-62.1-45.5176-72.6165.3000111.6Q146 L147 R153 F154 L168 L172 L174 V179 W182 Y183Q146-L150 WeakPolarHBondContact O-CB 3.48Å; Q146-L150 WeakPolarHBondContact O-CD1 3.47Å; Q146-L150 VanDerWaalsContact O-CG 3.23Å; Q146-L150 WeakPolarHBondContact O-CG 3.48Å; Q146-L150 PolarHBondContact O-N 2.97Å; L147-L150 PolarHBondContact O-N 3.04Å; L150-R153 PolarHBondContact O-N 3.05Å; L150-F154 VanDerWaalsContact O-CB 3.29Å; L150-F154 WeakPolarHBondContact O-CB 3.44Å; L150-F154 PolarHBondContact O-N 3.43Å; L150-L168 HydrophobicContact CD2-CD2 4.01Å; L150-L172 HydrophobicContact CD2-CD1 3.92Å; L150-L172 HydrophobicContact CG-CD1 3.73Å; L150-L174 HydrophobicContact CD1-CD1 4.04Å; L150-V179 HydrophobicContact CD2-CG1 4.33Å; L150-V179 HydrophobicContact CD2-CG2 4.43Å; L150-W182 HydrophobicContact CB-CD2 3.97Å; L150-W182 HydrophobicContact CB-CE3 3.94Å; L150-W182 HydrophobicContact CB-CH2 3.7Å; L150-W182 HydrophobicContact CB-CZ2 3.7Å; L150-W182 HydrophobicContact CB-CZ3 3.82Å; L150-W182 HydrophobicContact CD1-CB 4.47Å; L150-W182 HydrophobicContact CD1-CD2 3.83Å; L150-W182 HydrophobicContact CD1-CE3 4.47Å; L150-W182 HydrophobicContact CD1-CG 3.8Å; L150-W182 HydrophobicContact CD2-CD2 4.35Å; L150-W182 HydrophobicContact CD2-CE3 4.21Å; L150-W182 HydrophobicContact CG-CD2 4.27Å; L150-W182 HydrophobicContact CG-CE3 4.43Å; L150-Y183 HydrophobicContact CD2-CE2 4.2Å
151E98.4Very high97.9Very high48 Ų4880.4 Ų80.422%0.22439%0.394CS..Hα-helixtrans-65.9-46.6179.7-165.863.6-130.100111.6L147 M148 R153 F154 E155 R186L147-E151 WeakPolarHBondContact O-CB 3.23Å; L147-E151 PolarHBondContact O-N 2.75Å; M148-E151 PolarHBondContact O-N 3.02Å; E151-R153 VanDerWaalsContact C-N 3.28Å; E151-R153 PolarHBondContact O-N 3.24Å; E151-F154 CarbonylContact O-C 3.58Å; E151-F154 WeakPolarHBondContact O-CA 3.31Å; E151-F154 WeakPolarHBondContact O-CB 3.32Å; E151-F154 PolarHBondContact O-N 3.49Å; E151-E155 WeakPolarHBondContact O-CG 3.38Å; E151-E155 PolarHBondContact O-N 3.11Å; E151-R186 VanDerWaalsContact CD-NE 3.3Å; E151-R186 VanDerWaalsContact CD-NH2 3.31Å; E151-R186 IonicContact OE1-CZ 3.23Å; E151-R186 VanDerWaalsContact OE1-CZ 3.23Å; E151-R186 IonicContact OE1-NE 2.97Å; E151-R186 PolarHBondContact OE1-NE 3.28Å; E151-R186 IonicContact OE1-NH2 2.67Å; E151-R186 PolarHBondContact OE1-NH2 3.35Å; E151-R186 IonicContact OE2-CZ 3.37Å; E151-R186 IonicContact OE2-NE 2.77Å; E151-R186 PolarHBondContact OE2-NE 2.89Å; E151-R186 IonicContact OE2-NH2 3.35Å; E151-R186 PolarHBondContact OE2-NH2 2.85Å
152K98.3Very high98.1Very high136 Ų13678 Ų7859%0.59138%0.38SS*.Hα-helixtrans-56.5-41.1177.2-177.1177.9-176.9176.80112.3M148M148-K152 VanDerWaalsContact O-CB 3.29Å; M148-K152 WeakPolarHBondContact O-CB 3.45Å; M148-K152 PolarHBondContact O-N 3.25Å
153R98.2Very high98.1Very high77 Ų7779.7 Ų79.729%0.29140%0.395SS..Hα-helixtrans-72.1-38.7175.5-170.467.6-179.1-127.91.8111.3G149 L150 E151 E155 K156 Q157 L160 D164 L168 Y183G149-R153 PolarHBondContact O-N 3.37Å; G149-R153 VanDerWaalsContact O-N 3.13Å; L150-R153 PolarHBondContact O-N 3.05Å; E151-R153 VanDerWaalsContact C-N 3.28Å; E151-R153 PolarHBondContact O-N 3.24Å; R153-E155 VanDerWaalsContact C-N 3.33Å; R153-E155 PolarHBondContact O-N 2.77Å; R153-K156 PolarHBondContact O-N 2.97Å; R153-Q157 PolarHBondContact O-N 3.28Å; R153-L160 HydrophobicContact CG-CD2 4.16Å; R153-D164 IonicContact NH2-OD1 2.91Å; R153-D164 PolarHBondContact NH2-OD1 3.04Å; R153-L168 HydrophobicContact CB-CD1 4.17Å; R153-L168 HydrophobicContact CB-CD2 4.14Å; R153-L168 HydrophobicContact CG-CD1 4.36Å; R153-L168 HydrophobicContact CG-CD2 4.04Å; R153-Y183 WeakPolarHBondContact CB-OH 3.42Å; R153-Y183 WeakPolarHBondContact CG-OH 3.33Å
154F98.4Very high98.1Very high1 Ų177.6 Ų77.60%0.00438%0.381CS..Hα-helixtrans-64.1-35.3178.9-176.5-99000113.1L150 E151 K156 Q157 K158 W182 Y183 R186 R187 W190L150-F154 VanDerWaalsContact O-CB 3.29Å; L150-F154 WeakPolarHBondContact O-CB 3.44Å; L150-F154 PolarHBondContact O-N 3.43Å; E151-F154 CarbonylContact O-C 3.58Å; E151-F154 WeakPolarHBondContact O-CA 3.31Å; E151-F154 WeakPolarHBondContact O-CB 3.32Å; E151-F154 PolarHBondContact O-N 3.49Å; F154-K156 VanDerWaalsContact C-N 3.29Å; F154-K156 PolarHBondContact O-N 3.46Å; F154-Q157 CarbonylContact O-C 3.48Å; F154-Q157 PolarHBondContact O-N 2.84Å; F154-K158 HydrophobicContact CD1-CD 4.07Å; F154-K158 HydrophobicContact CD2-CD 4.46Å; F154-K158 HydrophobicContact CE1-CD 3.56Å; F154-K158 HydrophobicContact CE2-CB 4.23Å; F154-K158 HydrophobicContact CE2-CD 4Å; F154-K158 HydrophobicContact CG-CD 4.49Å; F154-K158 HydrophobicContact CZ-CB 4.39Å; F154-K158 HydrophobicContact CZ-CD 3.52Å; F154-K158 VanDerWaalsContact O-CD 3.29Å; F154-K158 WeakPolarHBondContact O-CD 3.16Å; F154-K158 WeakPolarHBondContact O-CE 3.45Å; F154-K158 PolarHBondContact O-NZ 3.39Å; F154-W182 HydrophobicContact CB-CH2 4.22Å; F154-W182 HydrophobicContact CB-CZ3 4Å; F154-W182 HydrophobicContact CD2-CZ3 4.35Å; F154-W182 HydrophobicContact CG-CZ3 4.27Å; F154-Y183 HydrophobicContact CB-CE1 4.35Å; F154-Y183 AromaticContact CD2-CD1 3.83Å; F154-Y183 HydrophobicContact CD2-CD1 3.83Å; F154-Y183 AromaticContact CD2-CE1 3.64Å; F154-Y183 HydrophobicContact CD2-CE1 3.64Å; F154-Y183 HydrophobicContact CE2-CD1 4.34Å; F154-Y183 HydrophobicContact CE2-CE1 4.5Å; F154-Y183 HydrophobicContact CG-CE1 4.5Å; F154-Y183 PolarHBondContact N-OH 3.34Å; F154-R186 HydrophobicContact CD1-CG 3.59Å; F154-R186 HydrophobicContact CD2-CB 4.34Å; F154-R186 HydrophobicContact CD2-CG 3.79Å; F154-R186 HydrophobicContact CE1-CG 3.52Å; F154-R186 HydrophobicContact CE2-CB 4.15Å; F154-R186 HydrophobicContact CE2-CG 3.73Å; F154-R186 HydrophobicContact CG-CG 3.74Å; F154-R186 HydrophobicContact CZ-CB 4.34Å; F154-R186 HydrophobicContact CZ-CG 3.6Å; F154-R187 HydrophobicContact CE2-CG 3.79Å; F154-R187 HydrophobicContact CZ-CG 4.14Å; F154-W190 HydrophobicContact CE1-CB 4.29Å; F154-W190 HydrophobicContact CE1-CG 4.38Å; F154-W190 HydrophobicContact CZ-CB 4.14Å; F154-W190 HydrophobicContact CZ-CG 4.34Å
155E97.8Very high98.2Very high126 Ų12672 Ų7259%0.58935%0.352SS*.Hα-helixtrans-55.5-46.5174.3-77.8174.2-17800111.7E151 R153 K158E151-E155 WeakPolarHBondContact O-CG 3.38Å; E151-E155 PolarHBondContact O-N 3.11Å; R153-E155 VanDerWaalsContact C-N 3.33Å; R153-E155 PolarHBondContact O-N 2.77Å; E155-K158 VanDerWaalsContact CA-NZ 3.33Å; E155-K158 PolarHBondContact O-NZ 2.79Å
156K97.7Very high98.2Very high167 Ų16768.6 Ų68.673%0.72633%0.334SS*.Hα-helixtrans-74.3-40179.4-58.7-178.7-179.5-169.60112.9R153 F154R153-K156 PolarHBondContact O-N 2.97Å; F154-K156 VanDerWaalsContact C-N 3.29Å; F154-K156 PolarHBondContact O-N 3.46Å
157Q97.9Very high98.2Very high52 Ų5270.8 Ų70.824%0.24335%0.347CS..  trans-141.3105.4-170.6-175.3178.8-13.200110.4R153 F154 Y159 L160 D164 Y183R153-Q157 PolarHBondContact O-N 3.28Å; F154-Q157 CarbonylContact O-C 3.48Å; F154-Q157 PolarHBondContact O-N 2.84Å; Q157-Y159 VanDerWaalsContact C-N 3.26Å; Q157-Y159 WeakPolarHBondContact CG-O 3.5Å; Q157-Y159 PolarHBondContact NE2-O 3.39Å; Q157-Y159 PolarHBondContact O-N 3.29Å; Q157-L160 HydrophobicContact CB-CD2 4.49Å; Q157-L160 HydrophobicContact CG-CD2 4.14Å; Q157-D164 PolarHBondContact NE2-OD2 2.99Å; Q157-Y183 WeakPolarHBondContact O-CE1 3.34Å
158K97.6Very high98.2Very high57 Ų5767.9 Ų67.925%0.24833%0.332CS..SBendtrans-71.2-21.1-177-53.3-63.7164.4-157.50113.5F154 E155 R187F154-K158 HydrophobicContact CD1-CD 4.07Å; F154-K158 HydrophobicContact CD2-CD 4.46Å; F154-K158 HydrophobicContact CE1-CD 3.56Å; F154-K158 HydrophobicContact CE2-CB 4.23Å; F154-K158 HydrophobicContact CE2-CD 4Å; F154-K158 HydrophobicContact CG-CD 4.49Å; F154-K158 HydrophobicContact CZ-CB 4.39Å; F154-K158 HydrophobicContact CZ-CD 3.52Å; F154-K158 VanDerWaalsContact O-CD 3.29Å; F154-K158 WeakPolarHBondContact O-CD 3.16Å; F154-K158 WeakPolarHBondContact O-CE 3.45Å; F154-K158 PolarHBondContact O-NZ 3.39Å; E155-K158 VanDerWaalsContact CA-NZ 3.33Å; E155-K158 PolarHBondContact O-NZ 2.79Å; K158-R187 WeakPolarHBondContact O-CD 3.14Å
159Y98.2Very high98.2Very high142 Ų14262.2 Ų62.256%0.55730%0.304SS*.SBendtrans-132.8119-177.6-63.4-105.6000109.3Q157Q157-Y159 VanDerWaalsContact C-N 3.26Å; Q157-Y159 WeakPolarHBondContact CG-O 3.5Å; Q157-Y159 PolarHBondContact NE2-O 3.39Å; Q157-Y159 PolarHBondContact O-N 3.29Å
160L98.1Very high98.3Very high34 Ų3468 Ų6818%0.17833%0.326CS..  trans-86.1138.8176.8-61.7-178.1000111.5R153 Q157 D164 R165 L168 V179 Y183R153-L160 HydrophobicContact CG-CD2 4.16Å; Q157-L160 HydrophobicContact CB-CD2 4.49Å; Q157-L160 HydrophobicContact CG-CD2 4.14Å; L160-D164 HydrophobicContact CB-CB 4.27Å; L160-D164 HydrophobicContact CD2-CB 4.06Å; L160-R165 HydrophobicContact CB-CB 4.32Å; L160-R165 HydrophobicContact CD1-CB 4.35Å; L160-L168 HydrophobicContact CD1-CD2 3.7Å; L160-V179 HydrophobicContact CD1-CG1 3.89Å; L160-Y183 HydrophobicContact CD1-CD1 4.27Å; L160-Y183 HydrophobicContact CD1-CD2 3.92Å; L160-Y183 HydrophobicContact CD1-CE1 3.83Å; L160-Y183 HydrophobicContact CD1-CE2 3.47Å; L160-Y183 VanDerWaalsContact CD1-CE2 3.47Å; L160-Y183 HydrophobicContact CD1-CG 4.31Å; L160-Y183 VanDerWaalsContact CD1-CZ 3.41Å; L160-Y183 HydrophobicContact CD2-CE1 3.9Å; L160-Y183 HydrophobicContact CG-CD1 3.93Å; L160-Y183 HydrophobicContact CG-CD2 4.48Å; L160-Y183 HydrophobicContact CG-CE1 3.44Å; L160-Y183 VanDerWaalsContact CG-CE1 3.44Å; L160-Y183 HydrophobicContact CG-CE2 4.08Å; L160-Y183 HydrophobicContact CG-CG 4.42Å
161S98.3Very high98.2Very high48 Ų4872.7 Ų72.734%0.33636%0.359SS..  trans-70.9169.4162.772.90000110.3P163 D164 R165S161-P163 WeakPolarHBondContact OG-CD 3.49Å; S161-P163 WeakPolarHBondContact OG-CG 3.32Å; S161-D164 WeakPolarHBondContact CB-OD2 3.37Å; S161-D164 PolarHBondContact N-OD2 3.39Å; S161-D164 PolarHBondContact OG-N 3.22Å; S161-D164 PolarHBondContact OG-OD2 3.34Å; S161-R165 WeakPolarHBondContact O-CB 3.31Å; S161-R165 PolarHBondContact O-N 3.16Å; S161-R165 VanDerWaalsContact O-N 3.11Å
162T98.2Very high98.2Very high81 Ų8171.9 Ų71.950%0.49736%0.356SS..Hα-helixtrans-58.1-49.8174.3-65.20000113.1R165 I166T162-R165 PolarHBondContact O-N 2.85Å; T162-I166 HydrophobicContact CG2-CD1 4.2Å; T162-I166 WeakPolarHBondContact O-CG1 3.29Å; T162-I166 PolarHBondContact O-N 3.39Å
163P98.3Very high98.2Very high77 Ų7768.6 Ų68.650%0.536%0.36SS..Hα-helixtrans-63.2-4617822.6-32.1000112.4S161 R165 I166 D167S161-P163 WeakPolarHBondContact OG-CD 3.49Å; S161-P163 WeakPolarHBondContact OG-CG 3.32Å; P163-R165 PolarHBondContact O-N 3.21Å; P163-R165 VanDerWaalsContact O-N 3.09Å; P163-I166 WeakPolarHBondContact O-CA 3.48Å; P163-I166 WeakPolarHBondContact O-CB 3.48Å; P163-I166 PolarHBondContact O-N 2.91Å; P163-D167 PolarHBondContact O-N 3.31Å
164D98.4Very high98.2Very high35 Ų3565.8 Ų65.819%0.18735%0.351CS..Hα-helixtrans-57.9-33.9178.6-66.2-49.9000113R153 Q157 L160 S161 L168R153-D164 IonicContact NH2-OD1 2.91Å; R153-D164 PolarHBondContact NH2-OD1 3.04Å; Q157-D164 PolarHBondContact NE2-OD2 2.99Å; L160-D164 HydrophobicContact CB-CB 4.27Å; L160-D164 HydrophobicContact CD2-CB 4.06Å; S161-D164 WeakPolarHBondContact CB-OD2 3.37Å; S161-D164 PolarHBondContact N-OD2 3.39Å; S161-D164 PolarHBondContact OG-N 3.22Å; S161-D164 PolarHBondContact OG-OD2 3.34Å; D164-L168 WeakPolarHBondContact O-CB 3.37Å; D164-L168 PolarHBondContact O-N 3.45Å; D164-L168 VanDerWaalsContact O-N 3.07Å
165R98.6Very high98.1Very high53 Ų5368.3 Ų68.320%0.237%0.369CS..Hα-helixtrans-69.2-36.3177-177.7-178.566.5-126.6-1.5111.6L160 S161 T162 P163 A169 Q176 V179L160-R165 HydrophobicContact CB-CB 4.32Å; L160-R165 HydrophobicContact CD1-CB 4.35Å; S161-R165 WeakPolarHBondContact O-CB 3.31Å; S161-R165 PolarHBondContact O-N 3.16Å; S161-R165 VanDerWaalsContact O-N 3.11Å; T162-R165 PolarHBondContact O-N 2.85Å; P163-R165 PolarHBondContact O-N 3.21Å; P163-R165 VanDerWaalsContact O-N 3.09Å; R165-A169 WeakPolarHBondContact O-CB 3.49Å; R165-A169 PolarHBondContact O-N 2.85Å; R165-A169 VanDerWaalsContact O-N 3.08Å; R165-Q176 WeakPolarHBondContact CD-O 3.49Å; R165-Q176 HydrophobicContact CG-CB 4.38Å; R165-V179 HydrophobicContact CG-CB 4.21Å; R165-V179 HydrophobicContact CG-CG1 4Å
166I98.6Very high98.2Very high52 Ų5266.3 Ų66.327%0.26736%0.359SS..Hα-helixtrans-65.2-52.8176.3-66.2165.8000108.5T162 P163 L168 A169 E170 Q176T162-I166 HydrophobicContact CG2-CD1 4.2Å; T162-I166 WeakPolarHBondContact O-CG1 3.29Å; T162-I166 PolarHBondContact O-N 3.39Å; P163-I166 WeakPolarHBondContact O-CA 3.48Å; P163-I166 WeakPolarHBondContact O-CB 3.48Å; P163-I166 PolarHBondContact O-N 2.91Å; I166-L168 VanDerWaalsContact C-N 3.31Å; I166-L168 PolarHBondContact O-N 3.34Å; I166-A169 WeakPolarHBondContact O-CB 3.47Å; I166-A169 PolarHBondContact O-N 3.48Å; I166-E170 HydrophobicContact CG2-CG 4.49Å; I166-E170 WeakPolarHBondContact CG2-OE1 3.45Å; I166-E170 WeakPolarHBondContact O-CG 3.42Å; I166-E170 PolarHBondContact O-N 3.27Å; I166-Q176 HydrophobicContact CG1-CG 4.29Å
167D98.4Very high98.2Very high81 Ų8163.9 Ų63.943%0.43335%0.354SS..Hα-helixtrans-58.5-42.2-178.2-58-12.3000112.3P163 S171P163-D167 PolarHBondContact O-N 3.31Å; D167-S171 WeakPolarHBondContact O-CB 3.38Å; D167-S171 PolarHBondContact O-N 2.88Å; D167-S171 PolarHBondContact O-OG 2.86Å
168L98.5Very high98.2Very high14 Ų1464 Ų647%0.07335%0.354CS..Hα-helixtrans-69.4-36.8178.3-174.562.6000112.3L150 R153 L160 D164 I166 L172 V179 Y183L150-L168 HydrophobicContact CD2-CD2 4.01Å; R153-L168 HydrophobicContact CB-CD1 4.17Å; R153-L168 HydrophobicContact CB-CD2 4.14Å; R153-L168 HydrophobicContact CG-CD1 4.36Å; R153-L168 HydrophobicContact CG-CD2 4.04Å; L160-L168 HydrophobicContact CD1-CD2 3.7Å; D164-L168 WeakPolarHBondContact O-CB 3.37Å; D164-L168 PolarHBondContact O-N 3.45Å; D164-L168 VanDerWaalsContact O-N 3.07Å; I166-L168 VanDerWaalsContact C-N 3.31Å; I166-L168 PolarHBondContact O-N 3.34Å; L168-L172 HydrophobicContact CD1-CD1 3.73Å; L168-L172 HydrophobicContact CD1-CG 4.16Å; L168-L172 HydrophobicContact CG-CD1 4.07Å; L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 WeakPolarHBondContact O-CG 3.49Å; L168-L172 PolarHBondContact O-N 3.07Å; L168-V179 HydrophobicContact CD2-CG1 3.94Å; L168-Y183 HydrophobicContact CD2-CE2 3.76Å
169A98.4Very high98.2Very high4 Ų461.3 Ų61.33%0.03334%0.343CS..Hα-helixtrans-64.6-46.8177.500000110.6R165 I166 L172 G173 L174 Q176 V179R165-A169 WeakPolarHBondContact O-CB 3.49Å; R165-A169 PolarHBondContact O-N 2.85Å; R165-A169 VanDerWaalsContact O-N 3.08Å; I166-A169 WeakPolarHBondContact O-CB 3.47Å; I166-A169 PolarHBondContact O-N 3.48Å; A169-L172 PolarHBondContact O-N 3Å; A169-G173 PolarHBondContact O-N 3.43Å; A169-L174 CarbonylContact C-O 3.52Å; A169-L174 VanDerWaalsContact CB-O 3.31Å; A169-L174 WeakPolarHBondContact CB-O 3.33Å; A169-L174 PolarHBondContact O-N 3.31Å; A169-Q176 HydrophobicContact CB-CG 4.29Å; A169-V179 HydrophobicContact CB-CG2 3.96Å
170E98.4Very high98.2Very high143 Ų14359.5 Ų59.567%0.66834%0.338SS*.Hα-helixtrans-61.8-46.6176.3-69.7177.7-179.100111.6I166 L172 G173I166-E170 HydrophobicContact CG2-CG 4.49Å; I166-E170 WeakPolarHBondContact CG2-OE1 3.45Å; I166-E170 WeakPolarHBondContact O-CG 3.42Å; I166-E170 PolarHBondContact O-N 3.27Å; E170-L172 VanDerWaalsContact C-N 3.25Å; E170-L172 PolarHBondContact O-N 3.21Å; E170-G173 PolarHBondContact O-N 3.45Å
171S98.1Very high98.2Very high98 Ų9860.7 Ų60.769%0.68535%0.346SS*.Hα-helixtrans-61-30.6-179.6-61.30000113.8D167D167-S171 WeakPolarHBondContact O-CB 3.38Å; D167-S171 PolarHBondContact O-N 2.88Å; D167-S171 PolarHBondContact O-OG 2.86Å
172L97.8Very high98.2Very high32 Ų3260 Ų6017%0.16834%0.336CS..Hα-helixtrans-105.3-0.3-176.3-61.9179.8000113.8Q146 L150 L168 A169 E170 L174Q146-L172 PolarHBondContact NE2-O 3.43Å; Q146-L172 VanDerWaalsContact NE2-O 3.1Å; L150-L172 HydrophobicContact CD2-CD1 3.92Å; L150-L172 HydrophobicContact CG-CD1 3.73Å; L168-L172 HydrophobicContact CD1-CD1 3.73Å; L168-L172 HydrophobicContact CD1-CG 4.16Å; L168-L172 HydrophobicContact CG-CD1 4.07Å; L168-L172 WeakPolarHBondContact O-CB 3.49Å; L168-L172 WeakPolarHBondContact O-CG 3.49Å; L168-L172 PolarHBondContact O-N 3.07Å; A169-L172 PolarHBondContact O-N 3Å; E170-L172 VanDerWaalsContact C-N 3.25Å; E170-L172 PolarHBondContact O-N 3.21Å; L172-L174 VanDerWaalsContact C-N 3.3Å; L172-L174 HydrophobicContact CB-CD1 4.15Å; L172-L174 HydrophobicContact CB-CG 4.1Å; L172-L174 HydrophobicContact CD1-CD1 4.45Å; L172-L174 PolarHBondContact O-N 3.25Å
173G98Very high98.2Very high66 Ų6656.4 Ų56.468%0.6831%0.314SS*.THydrogen-bonded Turntrans62.135.8-174.600000113.2A169 E170A169-G173 PolarHBondContact O-N 3.43Å; E170-G173 PolarHBondContact O-N 3.45Å
174L97.7Very high98.2Very high19 Ų1956.7 Ų56.710%0.09931%0.308CS..  trans-111.2159.8179.6-65.6-179.8000110.7F142 Q146 L150 A169 L172 V179F142-L174 HydrophobicContact CD1-CD1 4.31Å; F142-L174 HydrophobicContact CD1-CD2 3.78Å; F142-L174 HydrophobicContact CE1-CD1 4.29Å; F142-L174 HydrophobicContact CE1-CD2 3.79Å; Q146-L174 HydrophobicContact CB-CD1 4.49Å; L150-L174 HydrophobicContact CD1-CD1 4.04Å; A169-L174 CarbonylContact C-O 3.52Å; A169-L174 VanDerWaalsContact CB-O 3.31Å; A169-L174 WeakPolarHBondContact CB-O 3.33Å; A169-L174 PolarHBondContact O-N 3.31Å; L172-L174 VanDerWaalsContact C-N 3.3Å; L172-L174 HydrophobicContact CB-CD1 4.15Å; L172-L174 HydrophobicContact CB-CG 4.1Å; L172-L174 HydrophobicContact CD1-CD1 4.45Å; L172-L174 PolarHBondContact O-N 3.25Å; L174-V179 HydrophobicContact CB-CG2 4.07Å; L174-V179 HydrophobicContact CD1-CG2 4.39Å
175S98.1Very high98.2Very high54 Ų5460 Ų6038%0.37833%0.326SS..  trans-77.9150.2168.666.80000111.4L177 Q178 V179S175-L177 PolarHBondContact O-N 2.93Å; S175-L177 VanDerWaalsContact O-N 3.13Å; S175-Q178 WeakPolarHBondContact O-CB 3.46Å; S175-Q178 PolarHBondContact O-N 2.91Å; S175-Q178 WeakPolarHBondContact OG-CB 3.44Å; S175-Q178 VanDerWaalsContact OG-CD 3.29Å; S175-Q178 VanDerWaalsContact OG-CG 3.23Å; S175-Q178 WeakPolarHBondContact OG-CG 3.29Å; S175-Q178 PolarHBondContact OG-N 3.07Å; S175-Q178 PolarHBondContact OG-OE1 3.26Å; S175-V179 PolarHBondContact O-N 3.04Å; S175-V179 VanDerWaalsContact O-N 3.07Å
176Q98.3Very high98.1Very high84 Ų8459.9 Ų59.939%0.39333%0.325SS..Hα-helixtrans-53.6-35.7173.4-65.6-174.245.200112.5R165 I166 A169 K180R165-Q176 WeakPolarHBondContact CD-O 3.49Å; R165-Q176 HydrophobicContact CG-CB 4.38Å; I166-Q176 HydrophobicContact CG1-CG 4.29Å; A169-Q176 HydrophobicContact CB-CG 4.29Å; Q176-K180 VanDerWaalsContact O-CB 3.29Å; Q176-K180 WeakPolarHBondContact O-CB 3.47Å; Q176-K180 PolarHBondContact O-N 2.9Å
177L97.5Very high98.1Very high116 Ų11660.8 Ų60.861%0.60733%0.326SS*.Hα-helixtrans-65.6-43.7177.1178.960.7000111.6S175 K180 T181S175-L177 PolarHBondContact O-N 2.93Å; S175-L177 VanDerWaalsContact O-N 3.13Å; L177-K180 WeakPolarHBondContact O-CB 3.37Å; L177-K180 PolarHBondContact O-N 2.86Å; L177-T181 WeakPolarHBondContact O-CB 3.27Å; L177-T181 PolarHBondContact O-N 3.38Å; L177-T181 PolarHBondContact O-OG1 3.41Å
178Q97.9Very high98Very high54 Ų5462.6 Ų62.625%0.25233%0.333SS..Hα-helixtrans-61.5-45.6176.6-76.6164.4-49.200111.3F142 S175 K180 T181 W182F142-Q178 HydrophobicContact CE1-CB 4.09Å; F142-Q178 HydrophobicContact CE1-CG 4.2Å; F142-Q178 HydrophobicContact CZ-CB 3.96Å; F142-Q178 HydrophobicContact CZ-CG 4.25Å; S175-Q178 WeakPolarHBondContact O-CB 3.46Å; S175-Q178 PolarHBondContact O-N 2.91Å; S175-Q178 WeakPolarHBondContact OG-CB 3.44Å; S175-Q178 VanDerWaalsContact OG-CD 3.29Å; S175-Q178 VanDerWaalsContact OG-CG 3.23Å; S175-Q178 WeakPolarHBondContact OG-CG 3.29Å; S175-Q178 PolarHBondContact OG-N 3.07Å; S175-Q178 PolarHBondContact OG-OE1 3.26Å; Q178-K180 VanDerWaalsContact C-N 3.35Å; Q178-K180 PolarHBondContact O-N 3.33Å; Q178-T181 PolarHBondContact O-N 3.09Å; Q178-W182 WeakPolarHBondContact O-CB 3.16Å; Q178-W182 PolarHBondContact O-N 3.05Å
179V98.4Very high97.9Very high1 Ų167.7 Ų67.71%0.00635%0.354CS..Hα-helixtrans-59.9-46.5175.1178.70000110.4L150 L160 R165 L168 A169 L174 S175 T181 W182 Y183L150-V179 HydrophobicContact CD2-CG1 4.33Å; L150-V179 HydrophobicContact CD2-CG2 4.43Å; L160-V179 HydrophobicContact CD1-CG1 3.89Å; R165-V179 HydrophobicContact CG-CB 4.21Å; R165-V179 HydrophobicContact CG-CG1 4Å; L168-V179 HydrophobicContact CD2-CG1 3.94Å; A169-V179 HydrophobicContact CB-CG2 3.96Å; L174-V179 HydrophobicContact CB-CG2 4.07Å; L174-V179 HydrophobicContact CD1-CG2 4.39Å; S175-V179 PolarHBondContact O-N 3.04Å; S175-V179 VanDerWaalsContact O-N 3.07Å; V179-T181 PolarHBondContact O-N 3.23Å; V179-W182 PolarHBondContact O-N 2.87Å; V179-Y183 HydrophobicContact CG1-CD2 3.88Å; V179-Y183 HydrophobicContact CG1-CE2 4.04Å; V179-Y183 WeakPolarHBondContact O-CB 3.33Å; V179-Y183 WeakPolarHBondContact O-CD2 3.35Å; V179-Y183 PolarHBondContact O-N 2.87Å
180K97.9Very high97.7Very high104 Ų10472 Ų7245%0.45237%0.37SS..Hα-helixtrans-57.3-49.4176.7179-179.4177.1-1800112Q176 L177 Q178 Y183 Q184Q176-K180 VanDerWaalsContact O-CB 3.29Å; Q176-K180 WeakPolarHBondContact O-CB 3.47Å; Q176-K180 PolarHBondContact O-N 2.9Å; L177-K180 WeakPolarHBondContact O-CB 3.37Å; L177-K180 PolarHBondContact O-N 2.86Å; Q178-K180 VanDerWaalsContact C-N 3.35Å; Q178-K180 PolarHBondContact O-N 3.33Å; K180-Y183 PolarHBondContact O-N 3.49Å; K180-Q184 WeakPolarHBondContact O-CG 3.35Å; K180-Q184 PolarHBondContact O-N 3.08Å
181T98.1Very high97.5Very high58 Ų5870.7 Ų70.736%0.35636%0.362SS..Hα-helixtrans-64.8-41.5179.8-64.40000111.4L177 Q178 V179 Q184 N185L177-T181 WeakPolarHBondContact O-CB 3.27Å; L177-T181 PolarHBondContact O-N 3.38Å; L177-T181 PolarHBondContact O-OG1 3.41Å; Q178-T181 PolarHBondContact O-N 3.09Å; V179-T181 PolarHBondContact O-N 3.23Å; T181-Q184 PolarHBondContact O-N 3.04Å; T181-N185 VanDerWaalsContact O-CG 3.31Å; T181-N185 PolarHBondContact O-N 3.3Å; T181-N185 PolarHBondContact O-ND2 3.07Å
182W98.1Very high97.2Very high33 Ų3372.4 Ų72.413%0.12536%0.357CS..Hα-helixtrans-61.7-46.4176-170.999.3000111.2F142 L150 F154 Q178 V179 Q184 N185 R186F142-W182 AromaticContact CD2-CD1 3.81Å; F142-W182 HydrophobicContact CE2-CB 4.33Å; F142-W182 AromaticContact CE2-CD1 3.66Å; F142-W182 HydrophobicContact CE2-CG 4.36Å; L150-W182 HydrophobicContact CB-CD2 3.97Å; L150-W182 HydrophobicContact CB-CE3 3.94Å; L150-W182 HydrophobicContact CB-CH2 3.7Å; L150-W182 HydrophobicContact CB-CZ2 3.7Å; L150-W182 HydrophobicContact CB-CZ3 3.82Å; L150-W182 HydrophobicContact CD1-CB 4.47Å; L150-W182 HydrophobicContact CD1-CD2 3.83Å; L150-W182 HydrophobicContact CD1-CE3 4.47Å; L150-W182 HydrophobicContact CD1-CG 3.8Å; L150-W182 HydrophobicContact CD2-CD2 4.35Å; L150-W182 HydrophobicContact CD2-CE3 4.21Å; L150-W182 HydrophobicContact CG-CD2 4.27Å; L150-W182 HydrophobicContact CG-CE3 4.43Å; F154-W182 HydrophobicContact CB-CH2 4.22Å; F154-W182 HydrophobicContact CB-CZ3 4Å; F154-W182 HydrophobicContact CD2-CZ3 4.35Å; F154-W182 HydrophobicContact CG-CZ3 4.27Å; Q178-W182 WeakPolarHBondContact O-CB 3.16Å; Q178-W182 PolarHBondContact O-N 3.05Å; V179-W182 PolarHBondContact O-N 2.87Å; W182-Q184 VanDerWaalsContact C-N 3.33Å; W182-Q184 PolarHBondContact O-N 3.45Å; W182-N185 PolarHBondContact O-N 3.09Å; W182-R186 HydrophobicContact CD2-CB 4.45Å; W182-R186 HydrophobicContact CE3-CB 3.94Å; W182-R186 HydrophobicContact CE3-CG 4.45Å; W182-R186 HydrophobicContact CH2-CB 4.03Å; W182-R186 HydrophobicContact CH2-CG 3.67Å; W182-R186 HydrophobicContact CZ2-CG 4.38Å; W182-R186 HydrophobicContact CZ3-CB 3.71Å; W182-R186 HydrophobicContact CZ3-CG 3.72Å; W182-R186 VanDerWaalsContact O-CB 3.31Å; W182-R186 WeakPolarHBondContact O-CB 3.29Å; W182-R186 PolarHBondContact O-N 3.03Å
183Y98.6Very high96.8Very high7 Ų773.7 Ų73.73%0.02736%0.364CS..Hα-helixtrans-63.5-35.5177.1-94.8-103.2000113.2L150 R153 F154 Q157 L160 L168 V179 K180 R187L150-Y183 HydrophobicContact CD2-CE2 4.2Å; R153-Y183 WeakPolarHBondContact CB-OH 3.42Å; R153-Y183 WeakPolarHBondContact CG-OH 3.33Å; F154-Y183 HydrophobicContact CB-CE1 4.35Å; F154-Y183 AromaticContact CD2-CD1 3.83Å; F154-Y183 HydrophobicContact CD2-CD1 3.83Å; F154-Y183 AromaticContact CD2-CE1 3.64Å; F154-Y183 HydrophobicContact CD2-CE1 3.64Å; F154-Y183 HydrophobicContact CE2-CD1 4.34Å; F154-Y183 HydrophobicContact CE2-CE1 4.5Å; F154-Y183 HydrophobicContact CG-CE1 4.5Å; F154-Y183 PolarHBondContact N-OH 3.34Å; Q157-Y183 WeakPolarHBondContact O-CE1 3.34Å; L160-Y183 HydrophobicContact CD1-CD1 4.27Å; L160-Y183 HydrophobicContact CD1-CD2 3.92Å; L160-Y183 HydrophobicContact CD1-CE1 3.83Å; L160-Y183 HydrophobicContact CD1-CE2 3.47Å; L160-Y183 VanDerWaalsContact CD1-CE2 3.47Å; L160-Y183 HydrophobicContact CD1-CG 4.31Å; L160-Y183 VanDerWaalsContact CD1-CZ 3.41Å; L160-Y183 HydrophobicContact CD2-CE1 3.9Å; L160-Y183 HydrophobicContact CG-CD1 3.93Å; L160-Y183 HydrophobicContact CG-CD2 4.48Å; L160-Y183 HydrophobicContact CG-CE1 3.44Å; L160-Y183 VanDerWaalsContact CG-CE1 3.44Å; L160-Y183 HydrophobicContact CG-CE2 4.08Å; L160-Y183 HydrophobicContact CG-CG 4.42Å; L168-Y183 HydrophobicContact CD2-CE2 3.76Å; V179-Y183 HydrophobicContact CG1-CD2 3.88Å; V179-Y183 HydrophobicContact CG1-CE2 4.04Å; V179-Y183 WeakPolarHBondContact O-CB 3.33Å; V179-Y183 WeakPolarHBondContact O-CD2 3.35Å; V179-Y183 PolarHBondContact O-N 2.87Å; K180-Y183 PolarHBondContact O-N 3.49Å; Y183-R187 WeakPolarHBondContact O-CB 3.32Å; Y183-R187 WeakPolarHBondContact O-CG 3.29Å; Y183-R187 PolarHBondContact O-N 2.62Å; Y183-R187 PolarHBondContact O-NE 3.09Å
184Q98.4Very high96.2Very high82 Ų8274.6 Ų74.638%0.38336%0.356SS..Hα-helixtrans-63-51.6172.4-74.9174.6-1.400110.9K180 T181 W182 R186 R187 M188K180-Q184 WeakPolarHBondContact O-CG 3.35Å; K180-Q184 PolarHBondContact O-N 3.08Å; T181-Q184 PolarHBondContact O-N 3.04Å; W182-Q184 VanDerWaalsContact C-N 3.33Å; W182-Q184 PolarHBondContact O-N 3.45Å; Q184-R186 VanDerWaalsContact C-N 3.31Å; Q184-R186 PolarHBondContact O-N 3.36Å; Q184-R187 PolarHBondContact O-N 3.49Å; Q184-M188 WeakPolarHBondContact O-CG 3.36Å; Q184-M188 PolarHBondContact O-N 3.11Å
185N97.7Very high95.4Very high104 Ų10480.7 Ų80.756%0.55639%0.388SS*.Hα-helixtrans-60.9-41.9178.8-69.3-21.1000111.9T181 W182 M188 K189T181-N185 VanDerWaalsContact O-CG 3.31Å; T181-N185 PolarHBondContact O-N 3.3Å; T181-N185 PolarHBondContact O-ND2 3.07Å; W182-N185 PolarHBondContact O-N 3.09Å; N185-M188 PolarHBondContact O-N 2.81Å; N185-K189 PolarHBondContact O-N 3.34Å
186R97.9Very high94.4Very high51 Ų5185.4 Ų85.419%0.19240%0.404CS..Hα-helixtrans-64-44.8179.8-17266.7-176.2122.7-8111.7E151 F154 W182 Q184 M188 K189 W190E151-R186 VanDerWaalsContact CD-NE 3.3Å; E151-R186 VanDerWaalsContact CD-NH2 3.31Å; E151-R186 IonicContact OE1-CZ 3.23Å; E151-R186 VanDerWaalsContact OE1-CZ 3.23Å; E151-R186 IonicContact OE1-NE 2.97Å; E151-R186 PolarHBondContact OE1-NE 3.28Å; E151-R186 IonicContact OE1-NH2 2.67Å; E151-R186 PolarHBondContact OE1-NH2 3.35Å; E151-R186 IonicContact OE2-CZ 3.37Å; E151-R186 IonicContact OE2-NE 2.77Å; E151-R186 PolarHBondContact OE2-NE 2.89Å; E151-R186 IonicContact OE2-NH2 3.35Å; E151-R186 PolarHBondContact OE2-NH2 2.85Å; F154-R186 HydrophobicContact CD1-CG 3.59Å; F154-R186 HydrophobicContact CD2-CB 4.34Å; F154-R186 HydrophobicContact CD2-CG 3.79Å; F154-R186 HydrophobicContact CE1-CG 3.52Å; F154-R186 HydrophobicContact CE2-CB 4.15Å; F154-R186 HydrophobicContact CE2-CG 3.73Å; F154-R186 HydrophobicContact CG-CG 3.74Å; F154-R186 HydrophobicContact CZ-CB 4.34Å; F154-R186 HydrophobicContact CZ-CG 3.6Å; W182-R186 HydrophobicContact CD2-CB 4.45Å; W182-R186 HydrophobicContact CE3-CB 3.94Å; W182-R186 HydrophobicContact CE3-CG 4.45Å; W182-R186 HydrophobicContact CH2-CB 4.03Å; W182-R186 HydrophobicContact CH2-CG 3.67Å; W182-R186 HydrophobicContact CZ2-CG 4.38Å; W182-R186 HydrophobicContact CZ3-CB 3.71Å; W182-R186 HydrophobicContact CZ3-CG 3.72Å; W182-R186 VanDerWaalsContact O-CB 3.31Å; W182-R186 WeakPolarHBondContact O-CB 3.29Å; W182-R186 PolarHBondContact O-N 3.03Å; Q184-R186 VanDerWaalsContact C-N 3.31Å; Q184-R186 PolarHBondContact O-N 3.36Å; R186-M188 VanDerWaalsContact C-N 3.34Å; R186-M188 PolarHBondContact O-N 2.97Å; R186-K189 PolarHBondContact O-N 3.31Å; R186-W190 WeakPolarHBondContact O-CB 3.34Å; R186-W190 PolarHBondContact O-N 3.35Å
187R97.8Very high92.6Very high71 Ų7184.5 Ų84.527%0.26842%0.417SS..Hα-helixtrans-61.9-39.1174.5-76.3-177-68.5161.6-0.6112.6F154 K158 Y183 Q184 W190 K191F154-R187 HydrophobicContact CE2-CG 3.79Å; F154-R187 HydrophobicContact CZ-CG 4.14Å; K158-R187 WeakPolarHBondContact O-CD 3.14Å; Y183-R187 WeakPolarHBondContact O-CB 3.32Å; Y183-R187 WeakPolarHBondContact O-CG 3.29Å; Y183-R187 PolarHBondContact O-N 2.62Å; Y183-R187 PolarHBondContact O-NE 3.09Å; Q184-R187 PolarHBondContact O-N 3.49Å; R187-W190 PolarHBondContact O-N 3.41Å; R187-K191 WeakPolarHBondContact O-CB 3.39Å; R187-K191 PolarHBondContact O-N 2.93Å
188M97.1Very high90.8Very high120 Ų12082.2 Ų82.259%0.59142%0.421SS*.Hα-helixtrans-63.2-43.2176.3-67.7-63-9600111.7Q184 N185 R186 K192Q184-M188 WeakPolarHBondContact O-CG 3.36Å; Q184-M188 PolarHBondContact O-N 3.11Å; N185-M188 PolarHBondContact O-N 2.81Å; R186-M188 VanDerWaalsContact C-N 3.34Å; R186-M188 PolarHBondContact O-N 2.97Å; M188-K192 PolarHBondContact O-N 3.45Å; M188-K192 VanDerWaalsContact O-N 3.09Å
189K95Very high88.6Confident120 Ų12082.1 Ų82.152%0.52244%0.435SS..Hα-helixtrans-63.7-46.3174-175.6177.1177.6-174.80111.3N185 R186 K192 I193N185-K189 PolarHBondContact O-N 3.34Å; R186-K189 PolarHBondContact O-N 3.31Å; K189-K192 WeakPolarHBondContact O-CB 3.46Å; K189-K192 PolarHBondContact O-N 3.38Å; K189-I193 HydrophobicContact CG-CD1 3.93Å; K189-I193 WeakPolarHBondContact O-CG1 3.33Å; K189-I193 PolarHBondContact O-N 3.31Å
190W94.6Very high86.4Confident95 Ų9589.8 Ų89.836%0.3648%0.475SS..Hα-helixtrans-59.5-49.3178.2176.172.9000111.7F154 R186 R187 K192 I193 V194F154-W190 HydrophobicContact CE1-CB 4.29Å; F154-W190 HydrophobicContact CE1-CG 4.38Å; F154-W190 HydrophobicContact CZ-CB 4.14Å; F154-W190 HydrophobicContact CZ-CG 4.34Å; R186-W190 WeakPolarHBondContact O-CB 3.34Å; R186-W190 PolarHBondContact O-N 3.35Å; R187-W190 PolarHBondContact O-N 3.41Å; W190-K192 VanDerWaalsContact C-N 3.28Å; W190-K192 PolarHBondContact O-N 3.38Å; W190-I193 PolarHBondContact O-N 3.44Å; W190-I193 VanDerWaalsContact O-N 3.08Å; W190-V194 HydrophobicContact CD2-CG2 4.06Å; W190-V194 HydrophobicContact CG-CG2 4.3Å; W190-V194 HydrophobicContact CZ2-CG2 3.95Å; W190-V194 WeakPolarHBondContact O-CG2 3.35Å; W190-V194 PolarHBondContact O-N 3.43Å
191K94.4Very high84.4Confident116 Ų11691.2 Ų91.250%0.50448%0.483SS..Hα-helixtrans-56.2-42.7175.7-173.9-178.469.4167.60111.6R187 I193 V194 L195R187-K191 WeakPolarHBondContact O-CB 3.39Å; R187-K191 PolarHBondContact O-N 2.93Å; K191-I193 VanDerWaalsContact C-N 3.35Å; K191-I193 PolarHBondContact O-N 3.05Å; K191-V194 PolarHBondContact O-N 3.34Å; K191-L195 WeakPolarHBondContact O-CB 3.41Å; K191-L195 PolarHBondContact O-N 2.93Å
192K91.3Very high82Confident133 Ų13391.5 Ų91.558%0.57849%0.488SS*.Hα-helixtrans-61.1-43.9177.2-175.3-179.2-67.4-176.50111.7M188 K189 W190 Q196M188-K192 PolarHBondContact O-N 3.45Å; M188-K192 VanDerWaalsContact O-N 3.09Å; K189-K192 WeakPolarHBondContact O-CB 3.46Å; K189-K192 PolarHBondContact O-N 3.38Å; W190-K192 VanDerWaalsContact C-N 3.28Å; W190-K192 PolarHBondContact O-N 3.38Å; K192-Q196 VanDerWaalsContact O-CB 3.27Å; K192-Q196 WeakPolarHBondContact O-CB 3.46Å; K192-Q196 WeakPolarHBondContact O-CG 3.47Å; K192-Q196 PolarHBondContact O-N 2.73Å
193I89.1Confident80.1Confident59 Ų5996.2 Ų96.230%0.30352%0.523SS..Hα-helixtrans-67-44.5179.6-64.9163000110.8K189 W190 K191K189-I193 HydrophobicContact CG-CD1 3.93Å; K189-I193 WeakPolarHBondContact O-CG1 3.33Å; K189-I193 PolarHBondContact O-N 3.31Å; W190-I193 PolarHBondContact O-N 3.44Å; W190-I193 VanDerWaalsContact O-N 3.08Å; K191-I193 VanDerWaalsContact C-N 3.35Å; K191-I193 PolarHBondContact O-N 3.05Å
194V85.9Confident77.8Confident85 Ų85101.8 Ų101.852%0.51556%0.558SS.*Hα-helixtrans-66.3-45.4180174.40000111.1W190 K191 G197W190-V194 HydrophobicContact CD2-CG2 4.06Å; W190-V194 HydrophobicContact CG-CG2 4.3Å; W190-V194 HydrophobicContact CZ2-CG2 3.95Å; W190-V194 WeakPolarHBondContact O-CG2 3.35Å; W190-V194 PolarHBondContact O-N 3.43Å; K191-V194 PolarHBondContact O-N 3.34Å; V194-G197 PolarHBondContact O-N 3.3Å
195L81.5Confident75.5Confident148 Ų148105.3 Ų105.378%0.77557%0.572SS**Hα-helixtrans-76.6-23-175.9-158.569.5000113.3K191 G197K191-L195 WeakPolarHBondContact O-CB 3.41Å; K191-L195 PolarHBondContact O-N 2.93Å; L195-G197 VanDerWaalsContact C-N 3.3Å
196Q77.1Confident73.2Confident152 Ų152106.3 Ų106.371%0.7158%0.584SS**THydrogen-bonded Turntrans-8913.6174.4-74.2-175.8-3.300113.9K192K192-Q196 VanDerWaalsContact O-CB 3.27Å; K192-Q196 WeakPolarHBondContact O-CB 3.46Å; K192-Q196 WeakPolarHBondContact O-CG 3.47Å; K192-Q196 PolarHBondContact O-N 2.73Å
197G60.2Low71Confident65 Ų65113.3 Ų113.367%0.6762%0.616SS**THydrogen-bonded Turntrans68.560.4169.200000113.9V194 L195 G199V194-G197 PolarHBondContact O-N 3.3Å; L195-G197 VanDerWaalsContact C-N 3.3Å; G197-G199 VanDerWaalsContact C-N 3.34Å; G197-G199 PolarHBondContact O-N 3.47Å; G197-G199 VanDerWaalsContact O-N 3.11Å
198G60.3Low68.6Low68 Ų68112.9 Ų112.970%0.70163%0.633SS**SBendtrans71.413.4154.700000117.8L200G198-L200 PolarHBondContact O-N 2.92Å
199G52.1Low66.5Low52 Ų52118 Ų11854%0.53665%0.646SS.*  trans-85.2100.1173.800000112.5G197 E201G197-G199 VanDerWaalsContact C-N 3.34Å; G197-G199 PolarHBondContact O-N 3.47Å; G197-G199 VanDerWaalsContact O-N 3.11Å; G199-E201 PolarHBondContact O-N 2.86Å
200L51.4Low64.7Low163 Ų163118 Ų11885%0.85366%0.658SS**  trans-68.561.4158-72.2174.3000109.8G198G198-L200 PolarHBondContact O-N 2.92Å
201E55.8Low62.6Low133 Ų133122.9 Ų122.962%0.62168%0.682SS**  trans-93.2129.2170.3-93.1-73.898.500109.6G199G199-E201 PolarHBondContact O-N 2.86Å
202S48.8Very low60.4Low65 Ų65126.1 Ų126.146%0.45570%0.696SS.*  trans-64.1143-171.438.40000112.5T204S202-T204 PolarHBondContact O-N 3.35Å
203P56.9Low58.7Low131 Ų131127 Ų12785%0.85171%0.707SS**THydrogen-bonded Turntrans-63.211.9-178.6-26.736.1000118.3
204T51.6Low57Low125 Ų125129.5 Ų129.577%0.76773%0.73SS**THydrogen-bonded Turntrans-110.7-0.6-172.239.60000115.5S202S202-T204 PolarHBondContact O-N 3.35Å
205K48.4Very low55.3Low156 Ų156132.7 Ų132.768%0.67874%0.743SS**SBendtrans-92.3119.7167.8-98.2152.5179.41690110.5K207K205-K207 VanDerWaalsContact C-N 3.35Å; K205-K207 PolarHBondContact O-N 3.08Å
206P50.7Low53.7Low124 Ų124130.6 Ų130.681%0.80574%0.738SS**  trans-62.9103168.626.1-30000106.9G208P206-G208 VanDerWaalsContact C-N 3.29Å; P206-G208 PolarHBondContact O-N 3.47Å
207K51.5Low52.4Low199 Ų199127 Ų12787%0.86573%0.73SS**  trans-62.698.2173.5-160.779.5166-175.30106K205 R209K205-K207 VanDerWaalsContact C-N 3.35Å; K205-K207 PolarHBondContact O-N 3.08Å; K207-R209 PolarHBondContact O-N 3.25Å
208G46.8Very low52.2Low62 Ų62128.7 Ų128.764%0.63973%0.731SS**  trans-49.4139.6177.900000110.3P206P206-G208 VanDerWaalsContact C-N 3.29Å; P206-G208 PolarHBondContact O-N 3.47Å
209R53.3Low51.9Low226 Ų226132.9 Ų132.985%0.85373%0.732SS**  trans-32.2132.9164.4-172-179.4-170.2-1724.8110.4K207 K211K207-R209 PolarHBondContact O-N 3.25Å; R209-K211 PolarHBondContact O-N 3.34Å
210P57.2Low51.7Low121 Ų121137.5 Ų137.579%0.78674%0.74SS**  trans-54.7119.4173.121-29.6000108.4K212P210-K212 PolarHBondContact O-N 2.91Å
211K49.5Very low51.4Low198 Ų198136 Ų13686%0.86173%0.732SS**  trans-64.9106.8169.9-81-175.7174.6-178.80106.1R209 N213R209-K211 PolarHBondContact O-N 3.34Å; K211-N213 PolarHBondContact O-N 3.23Å; K211-N213 VanDerWaalsContact O-N 3.09Å
212K49.3Very low51.4Low184 Ų184133.7 Ų133.780%0.873%0.731SS**  trans-54.2111.9154.164.2-175.4-174.61740105.7P210P210-K212 PolarHBondContact O-N 2.91Å
213N55.5Low51.7Low151 Ų151138 Ų13881%0.80774%0.744SS**  trans176.457.9163.2-83.3-5.5000105.9K211K211-N213 PolarHBondContact O-N 3.23Å; K211-N213 VanDerWaalsContact O-N 3.09Å
214S54.2Low51.2Low111 Ų111138.6 Ų138.678%0.77674%0.735SS**  trans-146.168.7156.9-170.60000105.2
215I48.4Very low51.3Low153 Ų153140.7 Ų140.779%0.78574%0.736SS**  trans-109.4108.1157.7-57.4177.2000102.1S217I215-S217 PolarHBondContact O-N 3.03Å
216P49.7Very low51.5Low104 Ų104144.2 Ų144.268%0.67575%0.745SS**  trans-57127.9168-18.230.9000107.6S218P216-S218 PolarHBondContact O-N 3.42Å
217S47.9Very low51.5Low77 Ų77142.4 Ų142.454%0.53874%0.735SS.*  trans-57.7136.2176.3-169.20000109.3I215 E219 Q220I215-S217 PolarHBondContact O-N 3.03Å; S217-E219 PolarHBondContact O-N 3.18Å; S217-Q220 PolarHBondContact O-N 3.39Å
218S55.9Low51.6Low100 Ų100138.8 Ų138.870%0.69973%0.73SS**THydrogen-bonded Turntrans-60.5-4.9-177.1-172.70000114.5P216P216-S218 PolarHBondContact O-N 3.42Å
219E55.4Low51.9Low155 Ų155140 Ų14072%0.72473%0.734SS**THydrogen-bonded Turntrans-84.7-13.5-178-66.3-161.8139.900114.5S217 S222S217-E219 PolarHBondContact O-N 3.18Å; E219-S222 PolarHBondContact O-OG 3.05Å
220Q47.9Very low51.8Low149 Ų149137.3 Ų137.370%0.69674%0.737SS**SBendtrans-87.3-7.6177.5-76.9-179.4-102.500114.2S217S217-Q220 PolarHBondContact O-N 3.39Å
221L45.3Very low51.1Low132 Ų132135.3 Ų135.369%0.69174%0.738SS**SBendtrans-84.8-19.2179.3-77165.4000113.4
222S54.8Low50.8Low85 Ų85132.8 Ų132.859%0.59473%0.734SS**THydrogen-bonded Turntrans-82.3-15.1-178.945.90000114.6E219E219-S222 PolarHBondContact O-OG 3.05Å
223E54.5Low50.4Low155 Ų155131.2 Ų131.272%0.72473%0.729SS**THydrogen-bonded Turntrans-91.8-23.4-177.1-64-177.2157.700113.1
224Q47.8Very low49.6Very low143 Ų143132 Ų13267%0.66873%0.728SS**THydrogen-bonded Turntrans-80.9-25.7179.7-165.48345.600112.9R226Q224-R226 VanDerWaalsContact C-N 3.32Å; Q224-R226 PolarHBondContact O-N 3.04Å
225E54.2Low49Very low169 Ų169132.5 Ų132.579%0.7973%0.731SS**THydrogen-bonded Turntrans-79.6-9.8-179.8-75.3-160.5109.500113.9
226R51Low48.6Very low230 Ų230134.6 Ų134.687%0.86874%0.738SS**THydrogen-bonded Turntrans-92.2-5.1-179.3-134.1176.6-165.7-133.51.7114.8Q224Q224-R226 VanDerWaalsContact C-N 3.32Å; Q224-R226 PolarHBondContact O-N 3.04Å
227S51.5Low47.9Very low86 Ų86132.8 Ų132.860%0.60174%0.738SS**SBendtrans-107.55.5-178.971.10000114.8
228V54.5Low47.5Very low123 Ų123134.9 Ų134.975%0.74575%0.752SS**SBendtrans-108.22-176.6-172.90000112.7
229A51.8Low46.7Very low89 Ų89135.4 Ų135.474%0.73676%0.756SS**SBendtrans-99.519.8-176.300000115.3
230D50.8Low46Very low169 Ų169132.6 Ų132.690%0.90475%0.753SS**SBendtrans-145.7100.5173.3-125.5-61000110.3
231G44.3Very low45.8Very low79 Ų79132.4 Ų132.481%0.81475%0.752SS**  trans165.330.5-17800000114.7
232D41.4Very low45.6Very low145 Ų145135.4 Ų135.478%0.77576%0.76SS**  trans-89.9106.3165.4-169.8-75.9000108.1
233H42.1Very low45.3Very low150 Ų150138.1 Ų138.169%0.69476%0.763SS**  trans-172.4115144.2-101.713.9000113.5
234Q38.3Very low44.6Very low169 Ų169137.9 Ų137.979%0.7977%0.767SS**  trans58.6117.2137.8-56.5177.632.800119.9
235S40.8Very low44.3Very low120 Ų120136 Ų13684%0.83977%0.765SS**  -163.4132.7103.589.80000111.8
236E39.9Very low43.8Very low198 Ų198134.9 Ų134.993%0.92576%0.76SS**  trans-70165.6167.6-53.8-152.4131.100112.2
237G35.8Very low43.6Very low65 Ų65131.6 Ų131.667%0.6776%0.755SS**  trans144.2101.4149.800000117
238S38.8Very low43.2Very low121 Ų121140.1 Ų140.185%0.84679%0.785SS**  trans64.1118.5131.7-59.90000119.7
239S40.3Very low42.6Very low112 Ų112141 Ų14178%0.78379%0.787SS**  90.8148.172.9-168.20000114.5
240S41Very low42.1Very low95 Ų95143.7 Ų143.766%0.66479%0.79SS**  trans82.5115176.172.70000115.7
241H42.6Very low41.6Very low145 Ų145142.3 Ų142.367%0.67178%0.784SS**  56.3103.152-168.682000113E243H241-E243 IonicContact CE1-OE2 3.57Å; H241-E243 IonicContact NE2-OE2 3.91Å
242F41.7Very low41.5Very low195 Ų195146.1 Ų146.186%0.85578%0.782SS**  trans-146.4105.3151.4-102.3-82.6000109.1
243E48.1Very low41.5Very low143 Ų143146.1 Ų146.167%0.66878%0.782SS**  trans-58.2140.1143.9-97.7166.99100108.7H241H241-E243 IonicContact CE1-OE2 3.57Å; H241-E243 IonicContact NE2-OE2 3.91Å
244N39.7Very low41.4Very low150 Ų150145.9 Ų145.980%0.80279%0.788SS**  trans-139.5124.1151.6-160.638.9000110.4
245T41.4Very low41.7Very low103 Ų103144.2 Ų144.263%0.63279%0.788SS**  trans-80.2175.7172.8-55.70000110.5
246Q45Very low41.7Very low146 Ų146146.1 Ų146.168%0.68278%0.784SS**  trans88.3141.5169.9-64.8177.9-5600115.3
247E46.3Very low41.9Very low160 Ų160141.8 Ų141.875%0.74877%0.772SS**  cis-166.7145.23.3-105.4157.2179.900102
248E42.1Very low42.4Very low266 Ų266148.7 Ų148.7100%1.24378%0.781SS**  -179.6064.7178.1-176.5119.400106.5

Retrieved 248 of 248 residues in 58.9 ms (Link to these results)