A0A060YIY1_ONCMY Loading...

BARX homeobox 1

AlphaFold DB , UniProt , Accession A0A060YIY1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 250 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
1M45.8Very low52.3Low236 Ų236159 Ų159100%1.16384%0.843SS**  0112.50-74.2-156.6146.200106.7
2Q48.7Very low52.7Low176 Ų176162.8 Ų162.882%0.82284%0.84SS**  trans-100.6154.6179.8-105.767.31900109.9
3H52.3Low53.5Low177 Ų177157.3 Ų157.382%0.81982%0.82SS**  trans-57.8164-172-54.2-91000114.6
4P57.2Low53.8Low130 Ų130154.5 Ų154.584%0.84482%0.817SS**  -125.9156.5116.928.6-16.8000114.2
5L55.7Low53.7Low159 Ų159156.3 Ų156.383%0.83282%0.818SS**  trans-62.7149.1-168.8-58.5164.4000114.2L7L5-L7 PolarHBondContact O-N 3.44Å
6D51.5Low53.7Low169 Ų169154.6 Ų154.690%0.90482%0.817SS**  trans-66.1126.2172.3-149.4-16.3000110.4G8D6-G8 PolarHBondContact O-N 3.34Å
7L61.1Low53.8Low158 Ų158154.5 Ų154.583%0.82781%0.81SS**  trans-87.995.9-171.3-133.377000109.8L5 A9L5-L7 PolarHBondContact O-N 3.44Å; L7-A9 PolarHBondContact O-N 3.38Å
8G47.5Very low53.8Low59 Ų59151.7 Ų151.761%0.60880%0.802SS**  trans-55.4107.8176.300000112D6 H10D6-G8 PolarHBondContact O-N 3.34Å; G8-H10 VanDerWaalsContact C-N 3.31Å; G8-H10 PolarHBondContact O-CD2 3.48Å; G8-H10 PolarHBondContact O-N 3.41Å
9A48.7Very low53.6Low99 Ų99150 Ų15082%0.81879%0.794SS**  trans-7183.9177.100000110.7L7 Y11L7-A9 PolarHBondContact O-N 3.38Å; A9-Y11 PolarHBondContact O-N 3.05Å
10H55.5Low53.8Low167 Ų167151.2 Ų151.277%0.77380%0.795SS**  trans-6693.8172.1-79.4-82.1000110.5G8 Y12G8-H10 VanDerWaalsContact C-N 3.31Å; G8-H10 PolarHBondContact O-CD2 3.48Å; G8-H10 PolarHBondContact O-N 3.41Å; H10-Y12 PolarHBondContact O-N 3.05Å
11Y51Low53.7Low219 Ų219154.1 Ų154.186%0.85980%0.795SS**  trans-69.593.5174.3-154.3-87.9000109.6A9 P13A9-Y11 PolarHBondContact O-N 3.05Å; Y11-P13 VanDerWaalsContact O-CD 3.27Å; Y11-P13 WeakPolarHBondContact O-CD 3.36Å
12Y57.7Low54.1Low205 Ų205145.9 Ų145.980%0.80476%0.761SS**  trans-76.8114.3171.7-105-91.4000109.4H10H10-Y12 PolarHBondContact O-N 3.05Å
13P63.1Low54.4Low91 Ų91144.4 Ų144.459%0.59175%0.753SS**  trans-67.4146.7169.929.5-33.6000109.9Y11 E15Y11-P13 VanDerWaalsContact O-CD 3.27Å; Y11-P13 WeakPolarHBondContact O-CD 3.36Å; P13-E15 PolarHBondContact O-N 3.49Å
14P57.9Low54.6Low118 Ų118140.2 Ų140.277%0.76674%0.744SS**  trans-67.3127-178.726.5-33.6000111.4V16P14-V16 PolarHBondContact O-N 2.74Å; P14-V16 VanDerWaalsContact O-N 3.14Å
15E52.5Low54.8Low181 Ų181140.4 Ų140.485%0.84673%0.733SS**  trans-50.5114.3173.9-84.5-71.1126.900111.6P13 H17P13-E15 PolarHBondContact O-N 3.49Å; E15-H17 PolarHBondContact O-N 2.99Å
16V53.5Low54.9Low130 Ų130141.1 Ų141.179%0.78873%0.725SS**  trans-77.689.8178.6-177.90000108.8P14 P18P14-V16 PolarHBondContact O-N 2.74Å; P14-V16 VanDerWaalsContact O-N 3.14Å; V16-P18 VanDerWaalsContact O-CD 3.29Å; V16-P18 WeakPolarHBondContact O-CD 3.24Å; V16-P18 VanDerWaalsContact O-N 3.12Å
17H55.6Low55.3Low152 Ų152140.5 Ų140.570%0.70471%0.711SS**  trans-54.3114.9175.6-168.8-59.4000110.3E15 D19E15-H17 PolarHBondContact O-N 2.99Å; H17-D19 PolarHBondContact O-N 3.43Å; H17-D19 VanDerWaalsContact O-N 3.1Å
18P54Low55.4Low104 Ų104141.8 Ų141.868%0.67571%0.705SS**  trans-75109.4-172.327.9-33.3000110.9V16 H20V16-P18 VanDerWaalsContact O-CD 3.29Å; V16-P18 WeakPolarHBondContact O-CD 3.24Å; V16-P18 VanDerWaalsContact O-N 3.12Å; P18-H20 PolarHBondContact O-N 2.88Å
19D48.5Very low55.9Low120 Ų120140.7 Ų140.764%0.64269%0.688SS**  trans-52.8129.5174.7-97.3-33.2000112.1H17 R21 S22H17-D19 PolarHBondContact O-N 3.43Å; H17-D19 VanDerWaalsContact O-N 3.1Å; D19-R21 HydrophobicContact CB-CB 4.14Å; D19-R21 PolarHBondContact O-N 2.88Å; D19-S22 PolarHBondContact O-N 3.42Å
20H58.1Low56.3Low174 Ų174143.1 Ų143.181%0.80668%0.68SS**THydrogen-bonded Turntrans-60.9-6.6173.1-64.5-59.1000113.7P18 S22 H23P18-H20 PolarHBondContact O-N 2.88Å; H20-S22 PolarHBondContact O-N 3.46Å; H20-H23 PolarHBondContact O-N 2.97Å
21R51.2Low56.8Low213 Ų213139.6 Ų139.680%0.80467%0.666SS**THydrogen-bonded Turntrans-60.1-24.6172.4-162.8173.4-178.9-160.3-3113.3D19 H23D19-R21 HydrophobicContact CB-CB 4.14Å; D19-R21 PolarHBondContact O-N 2.88Å; R21-H23 VanDerWaalsContact C-N 3.3Å; R21-H23 PolarHBondContact O-N 3.21Å
22S54.2Low57.3Low63 Ų63134.2 Ų134.244%0.44165%0.65SS.*Hα-helixtrans-70-17.1179.7-69.30000115.1D19 H20 H25 R26D19-S22 PolarHBondContact O-N 3.42Å; H20-S22 PolarHBondContact O-N 3.46Å; S22-H25 PolarHBondContact O-N 3.41Å; S22-R26 PolarHBondContact O-N 3.24Å
23H56Low57.3Low145 Ų145130.3 Ų130.367%0.67164%0.639SS**Hα-helixtrans-72.2-37.3-177.5-153.584.1000112.6H20 R21 H25 Y27H20-H23 PolarHBondContact O-N 2.97Å; R21-H23 VanDerWaalsContact C-N 3.3Å; R21-H23 PolarHBondContact O-N 3.21Å; H23-H25 VanDerWaalsContact C-N 3.33Å; H23-Y27 PolarHBondContact O-N 2.95Å
24S56.7Low57.1Low89 Ų89133.1 Ų133.162%0.62265%0.645SS**Hα-helixtrans-72.4-27.1174.4-170.50000112.7
25H60.4Low57.2Low133 Ų133134.2 Ų134.262%0.61664%0.643SS**Hα-helixtrans-76.7-45.1177-147.1-71.5000111.6S22 H23 Y27 R28 S29S22-H25 PolarHBondContact O-N 3.41Å; H23-H25 VanDerWaalsContact C-N 3.33Å; H25-Y27 VanDerWaalsContact C-N 3.34Å; H25-Y27 PolarHBondContact O-N 3.23Å; H25-R28 PolarHBondContact O-N 2.88Å; H25-S29 PolarHBondContact O-N 2.93Å
26R59.1Low57.3Low174 Ų174132.7 Ų132.766%0.65764%0.64SS**Hα-helixtrans-56.6-44.4177.1-83.5-167.4-80.2-171.4-7.6112.8S22 R28 S29 F30S22-R26 PolarHBondContact O-N 3.24Å; R26-R28 VanDerWaalsContact C-N 3.25Å; R26-R28 PolarHBondContact O-N 3.4Å; R26-S29 PolarHBondContact O-N 2.86Å; R26-F30 VanDerWaalsContact O-CB 3.31Å; R26-F30 WeakPolarHBondContact O-CB 3.48Å; R26-F30 PolarHBondContact O-N 2.87Å
27Y58.2Low57.4Low157 Ų157131.1 Ų131.162%0.61663%0.63SS**Hα-helixtrans-64.4-29177.6-171.3-104.4000113H23 H25 M31H23-Y27 PolarHBondContact O-N 2.95Å; H25-Y27 VanDerWaalsContact C-N 3.34Å; H25-Y27 PolarHBondContact O-N 3.23Å; Y27-M31 HydrophobicContact CE1-CE 4.22Å; Y27-M31 HydrophobicContact CE1-CG 4.41Å; Y27-M31 HydrophobicContact CE2-CG 4.36Å; Y27-M31 HydrophobicContact CE2-SD 4.47Å; Y27-M31 WeakPolarHBondContact O-CB 3.47Å; Y27-M31 WeakPolarHBondContact O-CG 3.37Å
28R63.2Low56.9Low184 Ų184131.1 Ų131.169%0.69464%0.636SS**Hα-helixtrans-80-39.8175.9-78.1-167.9167.6-139.6-5.8113.5H25 R26 I32H25-R28 PolarHBondContact O-N 2.88Å; R26-R28 VanDerWaalsContact C-N 3.25Å; R26-R28 PolarHBondContact O-N 3.4Å; R28-I32 VanDerWaalsContact O-CD1 3.28Å; R28-I32 WeakPolarHBondContact O-CD1 3.41Å; R28-I32 VanDerWaalsContact O-CG1 3.24Å; R28-I32 WeakPolarHBondContact O-CG1 3.43Å
29S59.7Low56.7Low37 Ų37133.7 Ų133.726%0.25964%0.638SS.*Hα-helixtrans-67.2-46.1177.2-65.30000111.9H25 R26 M31 I32 E33H25-S29 PolarHBondContact O-N 2.93Å; R26-S29 PolarHBondContact O-N 2.86Å; S29-M31 VanDerWaalsContact C-N 3.29Å; S29-M31 PolarHBondContact O-N 2.85Å; S29-I32 PolarHBondContact O-N 2.98Å; S29-E33 PolarHBondContact O-N 3.22Å
30F56.2Low56.8Low149 Ų149133 Ų13365%0.65464%0.641SS**Hα-helixtrans-58.7-40.4-179.7-163.2-89.2000112.3R26 I32 E34R26-F30 VanDerWaalsContact O-CB 3.31Å; R26-F30 WeakPolarHBondContact O-CB 3.48Å; R26-F30 PolarHBondContact O-N 2.87Å; F30-I32 PolarHBondContact O-N 3.01Å; F30-E34 PolarHBondContact O-N 3.33Å
31M66.9Low55.9Low94 Ų94130.9 Ų130.946%0.46364%0.635SS.*Hα-helixtrans-75.6-1.2176.5-67.2-103.2-69.400114.6Y27 S29 I35Y27-M31 HydrophobicContact CE1-CE 4.22Å; Y27-M31 HydrophobicContact CE1-CG 4.41Å; Y27-M31 HydrophobicContact CE2-CG 4.36Å; Y27-M31 HydrophobicContact CE2-SD 4.47Å; Y27-M31 WeakPolarHBondContact O-CB 3.47Å; Y27-M31 WeakPolarHBondContact O-CG 3.37Å; S29-M31 VanDerWaalsContact C-N 3.29Å; S29-M31 PolarHBondContact O-N 2.85Å; M31-I35 VanDerWaalsContact O-CD1 3.26Å; M31-I35 WeakPolarHBondContact O-CD1 3.49Å
32I60.6Low55.6Low106 Ų106130.1 Ų130.154%0.54464%0.64SS.*Hα-helixtrans-108.9-42.1176.8-69.2168.5000110.2R28 S29 F30 E34 I35 L36R28-I32 VanDerWaalsContact O-CD1 3.28Å; R28-I32 WeakPolarHBondContact O-CD1 3.41Å; R28-I32 VanDerWaalsContact O-CG1 3.24Å; R28-I32 WeakPolarHBondContact O-CG1 3.43Å; S29-I32 PolarHBondContact O-N 2.98Å; F30-I32 PolarHBondContact O-N 3.01Å; I32-E34 VanDerWaalsContact C-N 3.33Å; I32-E34 PolarHBondContact O-N 2.81Å; I32-I35 PolarHBondContact O-N 2.79Å; I32-I35 VanDerWaalsContact O-N 3.15Å; I32-L36 PolarHBondContact O-N 2.73Å
33E56.9Low55.1Low122 Ų122136.6 Ų136.657%0.5766%0.66SS**Hα-helixtrans-67.4-31.6-179.1-71.7160.2-160.700112.4S29 I35 L36 T37S29-E33 PolarHBondContact O-N 3.22Å; E33-I35 PolarHBondContact O-N 3.15Å; E33-L36 PolarHBondContact O-N 2.77Å; E33-T37 PolarHBondContact O-N 3.16Å; E33-T37 PolarHBondContact O-OG1 3.5Å
34E59.9Low54.5Low150 Ų150136.8 Ų136.870%0.70167%0.671SS**Hα-helixtrans-66.9-22.5173.3-169.8175.1-170.100113.2F30 I32F30-E34 PolarHBondContact O-N 3.33Å; I32-E34 VanDerWaalsContact C-N 3.33Å; I32-E34 PolarHBondContact O-N 2.81Å
35I59Low53.9Low142 Ų142137.2 Ų137.273%0.72867%0.674SS**Hα-helixtrans-93.3-21.6-178.9-52.4178.6000111.8M31 I32 E33M31-I35 VanDerWaalsContact O-CD1 3.26Å; M31-I35 WeakPolarHBondContact O-CD1 3.49Å; I32-I35 PolarHBondContact O-N 2.79Å; I32-I35 VanDerWaalsContact O-N 3.15Å; E33-I35 PolarHBondContact O-N 3.15Å
36L56.5Low53.1Low149 Ų149136.9 Ų136.978%0.7868%0.682SS**Hα-helixtrans-113.49.9-171.7-145.276.6000114.5I32 E33 D38I32-L36 PolarHBondContact O-N 2.73Å; E33-L36 PolarHBondContact O-N 2.77Å; L36-D38 VanDerWaalsContact C-N 3.35Å; L36-D38 PolarHBondContact O-N 2.94Å
37T54.9Low52.5Low96 Ų96134.3 Ų134.359%0.58969%0.688SS**  trans-9270.5172.2-53.90000110E33E33-T37 PolarHBondContact O-N 3.16Å; E33-T37 PolarHBondContact O-OG1 3.5Å
38D45.5Very low52.2Low153 Ų153132.1 Ų132.182%0.81870%0.702SS**PPolyproline II helixtrans-77.7121.6165.7-139-72.8000108.1L36L36-D38 VanDerWaalsContact C-N 3.35Å; L36-D38 PolarHBondContact O-N 2.94Å
39H49.1Very low51.8Low157 Ų157126.9 Ų126.973%0.72771%0.705SS**PPolyproline II helixtrans-98.2124.9179.6-100.324.1000109.8
40P51.2Low51.5Low107 Ų107131.3 Ų131.370%0.69572%0.722SS**PPolyproline II helixtrans-72.3133.8-179.529-33.7000112.4
41D38.8Very low51.5Low128 Ų128132.9 Ų132.968%0.68474%0.736SS**  trans50.892.1146.5-62.7-59.4000120.3
42H45.7Very low51.1Low197 Ų197134.9 Ų134.991%0.91275%0.748SS**  trans-138.6109.6134.1-82.7-55.1000111.9
43K42.5Very low51Low199 Ų199136 Ų13687%0.86575%0.749SS**  trans-88.7111169.9-64.8-163.3-177.7-154.80111.1
44V42.8Very low51Low149 Ų149139.9 Ų139.990%0.90376%0.764SS**  trans-130.9146150.8-178.60000108.3
45S45.8Very low50.8Low98 Ų98135.4 Ų135.469%0.68576%0.758SS**  trans-82.7168.2-161.6-171.10000115.2
46T42.2Very low51Low126 Ų126132.2 Ų132.277%0.77375%0.745SS**  trans85.2156166.277.50000117.4
47P47.5Very low50.9Low121 Ų121132 Ų13279%0.78674%0.74SS**  -121.7172.2-71.630.7-15000113.4
48A52.1Low51Low110 Ų110130.6 Ų130.691%0.90974%0.738SS**  trans-58.7145.6-17400000115.1
49G55.3Low51.6Low74 Ų74130.4 Ų130.476%0.76374%0.736SS**  trans170.1-51.1162.700000118.1
50E53.5Low52.1Low131 Ų131129.1 Ų129.161%0.61273%0.734SS**  trans-103.7-5.7-151.9-76.3-84.6111.600117.4L52 K53E50-L52 VanDerWaalsContact C-N 3.28Å; E50-L52 PolarHBondContact O-N 3.46Å; E50-L52 VanDerWaalsContact O-N 3.11Å; E50-K53 IonicContact OE1-NZ 2.9Å; E50-K53 PolarHBondContact OE1-NZ 3.44Å; E50-K53 IonicContact OE2-NZ 3.16Å; E50-K53 PolarHBondContact OE2-NZ 3.49Å
51L55Low52.1Low181 Ų181128.3 Ų128.395%0.94873%0.731SS**THydrogen-bonded Turntrans-84.222.5-170.9-145.473.1000116.3
52L58.5Low52.8Low137 Ų137126.1 Ų126.172%0.71773%0.731SS**THydrogen-bonded Turntrans-123.83174.9-75.8173.6000114.4E50 F54 V56E50-L52 VanDerWaalsContact C-N 3.28Å; E50-L52 PolarHBondContact O-N 3.46Å; E50-L52 VanDerWaalsContact O-N 3.11Å; L52-F54 VanDerWaalsContact C-N 3.33Å; L52-F54 PolarHBondContact O-N 2.93Å; L52-V56 HydrophobicContact CB-CG2 4.49Å; L52-V56 WeakPolarHBondContact O-CG2 3.29Å
53K57.8Low53.2Low130 Ų130127.5 Ų127.557%0.56573%0.728SS**Hα-helixtrans-68.3-25.6-170.7-130.3164.3-177.3165.20114.9E50E50-K53 IonicContact OE1-NZ 2.9Å; E50-K53 PolarHBondContact OE1-NZ 3.44Å; E50-K53 IonicContact OE2-NZ 3.16Å; E50-K53 PolarHBondContact OE2-NZ 3.49Å
54F57.7Low53.7Low203 Ų203123.3 Ų123.389%0.8972%0.721SS**Hα-helixtrans-84.5-25.3-177.4-66.6-76.5000114.5L52L52-F54 VanDerWaalsContact C-N 3.33Å; L52-F54 PolarHBondContact O-N 2.93Å
55G56.9Low53.6Low55 Ų55127.6 Ų127.657%0.56772%0.723SS**Hα-helixtrans-91.9-33.6-177.400000114.8
56V61.7Low53.8Low76 Ų76131.3 Ų131.346%0.46173%0.729SS.*Hα-helixtrans-78.6-36.2-168.5176.90000112.7L52 A58 L59 L60L52-V56 HydrophobicContact CB-CG2 4.49Å; L52-V56 WeakPolarHBondContact O-CG2 3.29Å; V56-A58 VanDerWaalsContact C-N 3.32Å; V56-A58 PolarHBondContact O-N 3.39Å; V56-L59 PolarHBondContact O-N 2.96Å; V56-L60 HydrophobicContact CG1-CD1 3.74Å; V56-L60 PolarHBondContact O-N 2.93Å
57Q55.8Low53.8Low144 Ų144132.1 Ų132.167%0.67373%0.729SS**Hα-helixtrans-60.5-39.7-179.5-166.674.5-6.300112.5L59 L60 S61Q57-L59 VanDerWaalsContact C-N 3.32Å; Q57-L59 PolarHBondContact O-N 3.1Å; Q57-L60 PolarHBondContact O-N 2.67Å; Q57-S61 PolarHBondContact O-N 3.12Å; Q57-S61 VanDerWaalsContact O-N 3.13Å; Q57-S61 PolarHBondContact O-OG 3.47Å
58A56.4Low53.5Low67 Ų67133.4 Ų133.455%0.55472%0.724SS**Hα-helixtrans-70.1-26.6-179.500000113.4V56 S61V56-A58 VanDerWaalsContact C-N 3.32Å; V56-A58 PolarHBondContact O-N 3.39Å; A58-S61 PolarHBondContact O-OG 2.7Å
59L58.1Low53.1Low148 Ų148136.2 Ų136.278%0.77572%0.723SS**Hα-helixtrans-82.4-27.2178.2-163.465.1000112.2V56 Q57V56-L59 PolarHBondContact O-N 2.96Å; Q57-L59 VanDerWaalsContact C-N 3.32Å; Q57-L59 PolarHBondContact O-N 3.1Å
60L58.5Low52.2Low130 Ų130137.7 Ų137.768%0.68172%0.717SS**Hα-helixtrans-86.8-23.7178.5-72165.8000113.7V56 Q57 A62V56-L60 HydrophobicContact CG1-CD1 3.74Å; V56-L60 PolarHBondContact O-N 2.93Å; Q57-L60 PolarHBondContact O-N 2.67Å; L60-A62 VanDerWaalsContact C-N 3.35Å
61S52.9Low51.7Low91 Ų91139.7 Ų139.764%0.63673%0.731SS**SBendtrans-78.7-14.8178.262.80000114.2Q57 A58 R63Q57-S61 PolarHBondContact O-N 3.12Å; Q57-S61 VanDerWaalsContact O-N 3.13Å; Q57-S61 PolarHBondContact O-OG 3.47Å; A58-S61 PolarHBondContact O-OG 2.7Å; S61-R63 VanDerWaalsContact C-N 3.27Å; S61-R63 PolarHBondContact O-N 3.02Å
62A52.6Low51Low82 Ų82140.7 Ų140.768%0.67873%0.727SS**  trans-79.265.3179.300000112.7L60L60-A62 VanDerWaalsContact C-N 3.35Å
63R54.3Low50Low225 Ų225138.7 Ų138.785%0.84973%0.731SS**  trans-83.6153.2163.9-89.6-160.9172.3-1720112S61S61-R63 VanDerWaalsContact C-N 3.27Å; S61-R63 PolarHBondContact O-N 3.02Å
64P52.3Low48.9Very low111 Ų111139.8 Ų139.872%0.72174%0.743SS**  trans-77.3149.7-166.2-10.227.4000112.3H66P64-H66 VanDerWaalsContact C-N 3.29Å; P64-H66 PolarHBondContact O-N 3.4Å
65Y40.4Very low48.3Very low239 Ų239137.6 Ų137.694%0.93774%0.735SS**  trans-65.290.1160.1-92.7-95.3000109.7
66H50.5Low48Very low176 Ų176140.8 Ų140.882%0.81575%0.749SS**  trans-93.3114.1167.5-166.4-26.1000108P64 H68P64-H66 VanDerWaalsContact C-N 3.29Å; P64-H66 PolarHBondContact O-N 3.4Å; H66-H68 PolarHBondContact O-N 3.21Å
67N41.8Very low47.1Very low143 Ų143140.4 Ų140.477%0.76576%0.761SS**  trans-63.4133.9174.9-76.5-69.2000110.3
68H42.8Very low47Very low149 Ų149141.3 Ų141.369%0.6977%0.768SS**  trans-81.3116.1175.9162.9-71.1000110.2H66 V70H66-H68 PolarHBondContact O-N 3.21Å; H68-V70 WeakPolarHBondContact NE2-CG2 3.48Å
69L41.8Very low46.5Very low169 Ų169145.8 Ų145.889%0.88578%0.782SS**  trans-132.8106.2147.9-78179000108.1L71L69-L71 PolarHBondContact O-N 3.31Å
70V36.5Very low45.7Very low104 Ų104148.2 Ų148.263%0.6379%0.787SS**  trans-76113.8170.2166.40000108.6H68H68-V70 WeakPolarHBondContact NE2-CG2 3.48Å
71L44Very low45.5Very low174 Ų174150.7 Ų150.791%0.91179%0.792SS**  trans-127.5120.2151.1-73.6178.2000107.7L69L69-L71 PolarHBondContact O-N 3.31Å
72K40Very low45.3Very low201 Ų201152.4 Ų152.487%0.87480%0.801SS**  trans-109.2105.2179.6179-166.3-178.3-176.90108.3
73A38.2Very low45.2Very low96 Ų96156.5 Ų156.579%0.79381%0.808SS**  trans-170.8129.8153.900000113.2
74D33.2Very low45.1Very low153 Ų153150.8 Ų150.882%0.81880%0.802SS**  trans67.7171.3147.1-127.3-93.3000123.3
75Q44.7Very low45.4Very low157 Ų157151.1 Ų151.173%0.73481%0.805SS**  trans-92.7166.5-149.4-71.2-176.483.200115.7
76S50.7Low45.7Very low121 Ų121148 Ų14885%0.84680%0.803SS**  trans61.8102.6153.163.70000116.9
77G43.5Very low45.4Very low69 Ų69144.9 Ų144.971%0.71180%0.802SS**  trans-163.4115.3175.600000113.6L79G77-L79 PolarHBondContact O-N 3.13Å
78I53.6Low45.5Very low163 Ų163143.7 Ų143.784%0.83680%0.803SS**  trans-50.5130.2172.2-70.2156.6000111.1K80I78-K80 PolarHBondContact O-N 3.35Å
79L46.5Very low45.3Very low161 Ų161142 Ų14284%0.84381%0.808SS**  trans-67.2105.2178-64.9-180000111.3G77G77-L79 PolarHBondContact O-N 3.13Å
80K41.2Very low45.6Very low199 Ų199142.4 Ų142.487%0.86581%0.81SS**  trans-104.9110.7-179.9-136.6167.7-174.71710109.3I78I78-K80 PolarHBondContact O-N 3.35Å
81F53.8Low45.7Very low182 Ų182140.8 Ų140.880%0.79882%0.815SS**  trans-75.4139.2174.4-75.1-89.8000110.8M83F81-M83 PolarHBondContact O-N 3.21Å
82P49.1Very low45.8Very low127 Ų127138.4 Ų138.483%0.82581%0.813SS**  trans-75.195173.530.2-33000110.4
83M50.6Low46.8Very low168 Ų168134.2 Ų134.283%0.82881%0.806SS**  trans-76.8128.2162-109.8-162.376.500109.6F81 P85F81-M83 PolarHBondContact O-N 3.21Å; M83-P85 WeakPolarHBondContact O-CD 3.39Å
84S51Low47.3Very low104 Ų104138.5 Ų138.573%0.72781%0.814SS**  trans-74119.9166.4-53.30000109.7L86S84-L86 PolarHBondContact O-N 2.7Å
85P59.1Low47.6Very low118 Ų118135 Ų13577%0.76682%0.815SS**  trans-78.5112.8172.830.5-31.3000110.1M83 S87M83-P85 WeakPolarHBondContact O-CD 3.39Å; P85-S87 PolarHBondContact O-N 2.95Å
86L47.9Very low47.5Very low174 Ų174133.1 Ų133.191%0.91182%0.819SS**  trans-72.2113.1157.1-67.4172.4000107.4S84S84-L86 PolarHBondContact O-N 2.7Å
87S42.3Very low47.1Very low111 Ų111131.7 Ų131.778%0.77682%0.815SS**  trans-105.6109168.1-164.70000109.5P85P85-S87 PolarHBondContact O-N 2.95Å
88C45.1Very low47.1Very low117 Ų117136.2 Ų136.279%0.79182%0.822SS**  trans-64.5138.5161.8-60.50000108.5
89S38.7Very low46.9Very low115 Ų115136.2 Ų136.280%0.80482%0.822SS**  trans-12096.5170.6-160.30000109.8
90L47.1Very low46.8Very low176 Ų176134 Ų13492%0.92182%0.82SS**  trans-99.1117.1152.5-86.681.1000106.4
91G38.4Very low46.6Very low71 Ų71127.8 Ų127.873%0.73281%0.813SS**  trans-158.2115.5178.700000109.1
92S46.5Very low46.1Very low124 Ų124124 Ų12487%0.86782%0.816SS**  trans-84.4173.5-168.7-113.90000113.2
93P62.2Low46.3Very low112 Ų112124.4 Ų124.473%0.72782%0.818SS**  trans-89.1163.7-153.736.8-38.8000114.5
94L47Very low45.8Very low186 Ų186119.5 Ų119.597%0.97481%0.81SS**  trans-177.6138.1150.6-99.4159.3000108.8
95G39.9Very low45.3Very low80 Ų80122.4 Ų122.483%0.82582%0.817SS**  trans134.694.4168.400000116.7
96S42.5Very low44.8Very low117 Ų117126.6 Ų126.682%0.81883%0.826SS**  trans-61153.7-179.2-48.80000117.6
97A43.5Very low44.2Very low92 Ų92122.3 Ų122.376%0.7682%0.823SS**  trans53.1149.613700000120.3
98L43.3Very low43.9Very low164 Ų164120.8 Ų120.886%0.85983%0.826SS**  cis-119.9-162.45.3-60.3153.9000107.8
99L50.2Low43.8Very low162 Ų162120.7 Ų120.785%0.84883%0.826SS**  cis-149.8158.70.4179.356.7000108.3
100S42.7Very low44Very low114 Ų114119.9 Ų119.980%0.79783%0.826SS**  trans-105.8139.6167.9172.80000110.3
101G37.9Very low44.2Very low70 Ų70116.4 Ų116.472%0.72282%0.817SS**  trans17482.2174.700000119.7
102A43.1Very low44.6Very low103 Ų103121.8 Ų121.885%0.85182%0.822SS**  trans74.5152.5142.100000122.1
103P53Low44.3Very low134 Ų134123.6 Ų123.687%0.8782%0.817SS**  trans-107.9167.5-179.541.6-34.4000114.6
104G40Very low44Very low65 Ų65126.8 Ų126.867%0.6783%0.827SS**  trans-161.2114.9160.500000108.9
105L41.8Very low44Very low166 Ų166121.7 Ų121.787%0.86981%0.805SS**  49.7105.385.8-68.8178.5000113.1
106H47.4Very low44.3Very low206 Ų206125.2 Ų125.295%0.95480%0.804SS**  trans-159.1127.5137.3-93.790.7000107.7
107G36.9Very low44.2Very low83 Ų83125 Ų12586%0.85679%0.794SS**  trans-104156.2178.900000112.3
108G34.2Very low44.1Very low80 Ų80129.3 Ų129.383%0.82580%0.803SS**  trans176.974.7-178.900000115.4
109S43.9Very low44.4Very low115 Ų115128.8 Ų128.880%0.80480%0.796SS**  trans22.6114.6155.3-162.30000120.8
110A43.5Very low44.1Very low97 Ų97128.7 Ų128.780%0.80280%0.795SS**  trans-150.7100.3145.500000110.1H112A110-H112 PolarHBondContact O-N 2.69Å
111S49.9Very low44.3Very low104 Ų104134.5 Ų134.573%0.72780%0.8SS**  trans-85.7105-172.3-60.10000113.2
112H46.5Very low44.2Very low183 Ų183136 Ų13685%0.84780%0.799SS**  trans-137.781.9163.7-70.2-66.5000112.9A110A110-H112 PolarHBondContact O-N 2.69Å
113H42Very low44.2Very low162 Ų162139.3 Ų139.375%0.7579%0.794SS**  trans49.1100.2138.1-173.7-102.1000119.5P115H113-P115 WeakPolarHBondContact CE1-CD 3.37Å; H113-P115 WeakPolarHBondContact ND1-CD 3.4Å; H113-P115 WeakPolarHBondContact NE2-CG 3.44Å
114L54.6Low44Very low179 Ų179139.2 Ų139.294%0.93779%0.786SS**  trans-105.3126.6153.8-68.9177.2000110.2
115P47.9Very low43.9Very low79 Ų79143.2 Ų143.251%0.51379%0.787SS.*  trans-141.1128.5138.732.4-16.6000109.3H113H113-P115 WeakPolarHBondContact CE1-CD 3.37Å; H113-P115 WeakPolarHBondContact ND1-CD 3.4Å; H113-P115 WeakPolarHBondContact NE2-CG 3.44Å
116L44.9Very low44.1Very low154 Ų154143.5 Ų143.581%0.80678%0.784SS**  124.2142.256.1-101.8162000106.8
117D40.3Very low43.9Very low113 Ų113137.8 Ų137.860%0.60478%0.78SS**  trans16.9117.2157.1-85.9-91.1000121.8H119D117-H119 HydrophobicContact CB-CB 4.37Å; D117-H119 PolarHBondContact O-N 2.81Å; D117-H119 IonicContact OD1-CE1 3.49Å; D117-H119 PolarHBondContact OD1-CE1 3.45Å; D117-H119 IonicContact OD1-CG 2.69Å; D117-H119 IonicContact OD1-ND1 2.74Å; D117-H119 PolarHBondContact OD1-ND1 2.78Å
118L41.9Very low44Very low182 Ų182137.4 Ų137.495%0.95378%0.777SS**  trans-80.163.1161.3-164.471.5000111.3
119H49.5Very low44.7Very low154 Ų154142.2 Ų142.271%0.71378%0.783SS**  trans-111.681.8176.6-92.6106.2000112.5D117D117-H119 HydrophobicContact CB-CB 4.37Å; D117-H119 PolarHBondContact O-N 2.81Å; D117-H119 IonicContact OD1-CE1 3.49Å; D117-H119 PolarHBondContact OD1-CE1 3.45Å; D117-H119 IonicContact OD1-CG 2.69Å; D117-H119 IonicContact OD1-ND1 2.74Å; D117-H119 PolarHBondContact OD1-ND1 2.78Å
120L43.3Very low44.6Very low159 Ų159139.6 Ų139.683%0.83278%0.775SS**  trans-162.1122.8161.9-138.862.3000107.4
121R48.6Very low44.9Very low236 Ų236141.7 Ų141.789%0.89177%0.772SS**  cis61.961.924.1-155.8-173.6175.8-174.7-1.7115.9
122S34.8Very low44.7Very low101 Ų101140.9 Ų140.971%0.70677%0.767SS**  trans-165.4137137-89.40000109.3
123K43.3Very low45.1Very low173 Ų173140.8 Ų140.875%0.75276%0.764SS**  cis91.9103.444.3-173.4-168.7-176.9-135.80111.1
124L47.8Very low45.8Very low133 Ų133137.8 Ų137.870%0.69676%0.757SS**  trans68.9122.6153.3-61.4173000120.2
125E38.5Very low46.1Very low149 Ų149139.1 Ų139.170%0.69676%0.756SS**  trans82.1142.9131-70.7-55.2125.400124.1
126H45.3Very low46.9Very low171 Ų171144.6 Ų144.679%0.79277%0.771SS**  trans66.1109.1158.1-81.655.6000121.7
127G44Very low47.8Very low86 Ų86140.3 Ų140.389%0.88776%0.764SS**  64109116.700000119.6
128G38.2Very low49.5Very low75 Ų75144.9 Ų144.977%0.77377%0.773SS**  trans178.9114.8165.400000113G130G128-G130 PolarHBondContact O-N 3.18Å
129D49.7Very low51.3Low181 Ų181147.4 Ų147.497%0.96877%0.77SS**  trans-60.3126.9173.4-83.5-74.8000111.8
130G42.8Very low52.8Low61 Ų61145.6 Ų145.663%0.62977%0.774SS**  trans-157.378-174.100000111.3G128 S132G128-G130 PolarHBondContact O-N 3.18Å; G130-S132 PolarHBondContact O-N 3.33Å; G130-S132 PolarHBondContact O-OG 3.32Å
131N48.9Very low55Low140 Ų140147.3 Ų147.375%0.74977%0.77SS**  trans-6269.4176.4169.647.3000112.3K133N131-K133 WeakPolarHBondContact OD1-CE 3.25Å
132S46Very low56.9Low87 Ų87140.6 Ų140.661%0.60876%0.755SS**  trans-95.496.2167.458.60000108.1G130 T134G130-S132 PolarHBondContact O-N 3.33Å; G130-S132 PolarHBondContact O-OG 3.32Å; S132-T134 PolarHBondContact O-N 2.97Å
133K54.5Low59.7Low181 Ų181142 Ų14279%0.78776%0.759SS**  trans-69.859.1169.1-68.8174.9-176.9170.60110.4N131 K135N131-K133 WeakPolarHBondContact OD1-CE 3.25Å; K133-K135 PolarHBondContact O-N 3.31Å; K133-K135 VanDerWaalsContact O-N 3.15Å
134T56.1Low62.3Low100 Ų100135.9 Ų135.961%0.61373%0.733SS**  trans-56.5118.6166.749.70000107S132 K136S132-T134 PolarHBondContact O-N 2.97Å; T134-K136 PolarHBondContact O-N 3.39Å
135K62.3Low64.7Low207 Ų207133.3 Ų133.390%0.972%0.723SS**  trans-56.6100.1179.8-69.2172.6179.9171.30107.4K133 G137K133-K135 PolarHBondContact O-N 3.31Å; K133-K135 VanDerWaalsContact O-N 3.15Å; K135-G137 PolarHBondContact O-N 2.81Å
136K63.8Low67.5Low194 Ų194134.4 Ų134.484%0.84373%0.728SS**  trans-60.1101.7-168.4-152.683.5173-174.30107.9T134 R138T134-K136 PolarHBondContact O-N 3.39Å; K136-R138 PolarHBondContact O-N 3.48Å
137G65Low70Confident63 Ų63132 Ų13265%0.64972%0.72SS**  trans-52.8133.1-171.700000110.2K135 R139K135-G137 PolarHBondContact O-N 2.81Å; G137-R139 PolarHBondContact O-N 3.28Å
138R76Confident72.6Confident210 Ų210129.4 Ų129.479%0.79269%0.685SS**  trans-57.8115.8178.3-173.7174-173.4-115.59.1107.8K136 S140K136-R138 PolarHBondContact O-N 3.48Å; R138-S140 PolarHBondContact O-N 3Å
139R78Confident75.5Confident234 Ų234129.5 Ų129.588%0.88367%0.667SS**PPolyproline II helixtrans-49127.9-178.9-68.9179.8177.7139.3-2.8109.3G137G137-R139 PolarHBondContact O-N 3.28Å
140S81.7Confident77.8Confident116 Ų116126.7 Ų126.781%0.81165%0.65SS**PPolyproline II helixtrans-57.8146.8176.7-169.20000109.9R138R138-S140 PolarHBondContact O-N 3Å
141R89.3Confident80.4Confident196 Ų196124.7 Ų124.774%0.7463%0.629SS**PPolyproline II helixtrans-83.1120.3-178.6-57.1-179.188.5155.15.5108.1
142T88.5Confident82.8Confident95 Ų95118 Ų11858%0.58359%0.594SS**PPolyproline II helixtrans-66138.4170.5-41.60000110.2F144T142-F144 HydrophobicContact CG2-CE1 4.48Å
143V94.6Very high85.3Confident131 Ų131116.1 Ų116.179%0.79458%0.575SS**  trans-107.9136167.9-177.60000107
144F97.4Very high87.4Confident44 Ų44114 Ų11419%0.19357%0.566CS.*  trans-90.6149.4176.5-59-56.3000110.2T142 Q148 L149 L176 Q180 W184T142-F144 HydrophobicContact CG2-CE1 4.48Å; F144-Q148 HydrophobicContact CB-CB 4.23Å; F144-L149 HydrophobicContact CB-CD2 3.97Å; F144-L149 HydrophobicContact CB-CG 4.02Å; F144-L149 HydrophobicContact CD2-CD2 4.14Å; F144-L176 HydrophobicContact CD1-CD1 4.36Å; F144-L176 HydrophobicContact CD1-CD2 3.68Å; F144-L176 HydrophobicContact CE1-CD1 4.35Å; F144-L176 HydrophobicContact CE1-CD2 3.68Å; F144-Q180 HydrophobicContact CE1-CB 4.02Å; F144-Q180 HydrophobicContact CE1-CG 4.12Å; F144-Q180 HydrophobicContact CZ-CB 3.97Å; F144-Q180 HydrophobicContact CZ-CG 4.22Å; F144-W184 AromaticContact CD2-CD1 3.92Å; F144-W184 AromaticContact CE2-CD1 3.77Å
145T98.3Very high89.4Confident79 Ų79112.7 Ų112.749%0.48555%0.55SS..  trans-70.2160.7173.969.90000110.9L147 Q148 L149T145-L147 VanDerWaalsContact C-N 3.3Å; T145-L147 PolarHBondContact O-N 3.48Å; T145-Q148 WeakPolarHBondContact O-CB 3.21Å; T145-Q148 PolarHBondContact O-N 2.89Å; T145-Q148 VanDerWaalsContact OG1-CG 3.29Å; T145-Q148 WeakPolarHBondContact OG1-CG 3.34Å; T145-Q148 PolarHBondContact OG1-N 3.33Å; T145-L149 WeakPolarHBondContact O-CG 3.48Å; T145-L149 PolarHBondContact O-N 3.49Å
146E97.6Very high91.1Very high171 Ų171103 Ų10380%0.79951%0.507SS*.Hα-helixtrans-60.7-40.3177.3-175.6163.1-151.500112.1Q148 L149 M150E146-Q148 PolarHBondContact O-N 3.32Å; E146-L149 PolarHBondContact O-N 2.85Å; E146-M150 WeakPolarHBondContact O-CB 3.43Å; E146-M150 PolarHBondContact O-N 3.23Å
147L98Very high92.7Very high122 Ų12299.8 Ų99.864%0.63950%0.495SS*.Hα-helixtrans-60-43.6174.4-177.661.5000112.2T145 M150 G151T145-L147 VanDerWaalsContact C-N 3.3Å; T145-L147 PolarHBondContact O-N 3.48Å; L147-M150 HydrophobicContact CD1-CE 3.8Å; L147-M150 PolarHBondContact O-N 2.95Å; L147-G151 PolarHBondContact O-N 3.44Å
148Q98.4Very high94.3Very high31 Ų31105 Ų10515%0.14550%0.5CS..Hα-helixtrans-62.6-44.6175.2-75.5171.9-21.900111.6F144 T145 E146 G151 L152 L174 L176F144-Q148 HydrophobicContact CB-CB 4.23Å; T145-Q148 WeakPolarHBondContact O-CB 3.21Å; T145-Q148 PolarHBondContact O-N 2.89Å; T145-Q148 VanDerWaalsContact OG1-CG 3.29Å; T145-Q148 WeakPolarHBondContact OG1-CG 3.34Å; T145-Q148 PolarHBondContact OG1-N 3.33Å; E146-Q148 PolarHBondContact O-N 3.32Å; Q148-G151 PolarHBondContact O-N 2.88Å; Q148-L152 WeakPolarHBondContact O-CB 3.35Å; Q148-L152 WeakPolarHBondContact O-CD1 3.47Å; Q148-L152 WeakPolarHBondContact O-CG 3.33Å; Q148-L152 PolarHBondContact O-N 3.18Å; Q148-L174 HydrophobicContact CG-CB 4.44Å; Q148-L174 WeakPolarHBondContact CG-O 3.23Å; Q148-L174 PolarHBondContact NE2-O 2.78Å; Q148-L176 HydrophobicContact CG-CG 4.49Å
149L98.4Very high95.3Very high76 Ų7697.3 Ų97.340%0.39847%0.473SS..Hα-helixtrans-62.7-42.7177.5-69.3173.7000111.9F144 T145 E146 L152 E153F144-L149 HydrophobicContact CB-CD2 3.97Å; F144-L149 HydrophobicContact CB-CG 4.02Å; F144-L149 HydrophobicContact CD2-CD2 4.14Å; T145-L149 WeakPolarHBondContact O-CG 3.48Å; T145-L149 PolarHBondContact O-N 3.49Å; E146-L149 PolarHBondContact O-N 2.85Å; L149-L152 PolarHBondContact O-N 3.21Å; L149-E153 WeakPolarHBondContact O-CB 3.48Å; L149-E153 PolarHBondContact O-N 2.94Å
150M98.3Very high96.3Very high123 Ų12389 Ų8961%0.60644%0.443SS*.Hα-helixtrans-64-42.9176.7-176.7174.960.200111.8E146 L147 E153 K154E146-M150 WeakPolarHBondContact O-CB 3.43Å; E146-M150 PolarHBondContact O-N 3.23Å; L147-M150 HydrophobicContact CD1-CE 3.8Å; L147-M150 PolarHBondContact O-N 2.95Å; M150-E153 PolarHBondContact O-N 2.93Å; M150-K154 VanDerWaalsContact O-CB 3.25Å; M150-K154 WeakPolarHBondContact O-CB 3.49Å; M150-K154 PolarHBondContact O-N 3.22Å
151G98.2Very high97.1Very high19 Ų1990.6 Ų90.620%0.19643%0.433CS..Hα-helixtrans-62.5-45.5175.600000113L147 Q148 K154 R155L147-G151 PolarHBondContact O-N 3.44Å; Q148-G151 PolarHBondContact O-N 2.88Å; G151-K154 PolarHBondContact O-N 3.08Å; G151-R155 PolarHBondContact O-N 3.33Å; G151-R155 VanDerWaalsContact O-N 3.1Å
152L98.6Very high97.5Very high0 Ų082.7 Ų82.70%041%0.405CS..Hα-helixtrans-61.2-43.9175.8-72.4165.4000111.9Q148 L149 F156 L170 L174 L176 V181 W184 Y185Q148-L152 WeakPolarHBondContact O-CB 3.35Å; Q148-L152 WeakPolarHBondContact O-CD1 3.47Å; Q148-L152 WeakPolarHBondContact O-CG 3.33Å; Q148-L152 PolarHBondContact O-N 3.18Å; L149-L152 PolarHBondContact O-N 3.21Å; L152-F156 VanDerWaalsContact O-CB 3.28Å; L152-F156 WeakPolarHBondContact O-CB 3.37Å; L152-F156 PolarHBondContact O-N 3.14Å; L152-L170 HydrophobicContact CD2-CD2 4Å; L152-L170 HydrophobicContact CD2-CG 4.46Å; L152-L174 HydrophobicContact CD2-CD1 4.04Å; L152-L174 HydrophobicContact CG-CD1 3.81Å; L152-L176 HydrophobicContact CD1-CD1 3.95Å; L152-L176 HydrophobicContact CD2-CD1 4.43Å; L152-L176 HydrophobicContact CG-CD1 4.45Å; L152-V181 HydrophobicContact CD2-CG1 4.31Å; L152-V181 HydrophobicContact CD2-CG2 4.42Å; L152-W184 HydrophobicContact CB-CD2 3.97Å; L152-W184 HydrophobicContact CB-CE3 3.97Å; L152-W184 HydrophobicContact CB-CH2 3.78Å; L152-W184 HydrophobicContact CB-CZ2 3.74Å; L152-W184 HydrophobicContact CB-CZ3 3.88Å; L152-W184 HydrophobicContact CD1-CB 4.46Å; L152-W184 HydrophobicContact CD1-CD2 3.9Å; L152-W184 HydrophobicContact CD1-CG 3.81Å; L152-W184 HydrophobicContact CD2-CD2 4.39Å; L152-W184 HydrophobicContact CD2-CE3 4.29Å; L152-W184 HydrophobicContact CG-CD2 4.31Å; L152-Y185 HydrophobicContact CD2-CE2 4.3Å
153E98.4Very high97.9Very high46 Ų4680.6 Ų80.622%0.21539%0.394CS..Hα-helixtrans-67-46.6178.6-163.764.5-117.100111.8L149 M150 R155 F156 E157 W184 R188L149-E153 WeakPolarHBondContact O-CB 3.48Å; L149-E153 PolarHBondContact O-N 2.94Å; M150-E153 PolarHBondContact O-N 2.93Å; E153-R155 VanDerWaalsContact C-N 3.29Å; E153-R155 PolarHBondContact O-N 3.38Å; E153-F156 CarbonylContact O-C 3.48Å; E153-F156 WeakPolarHBondContact O-CA 3.45Å; E153-F156 WeakPolarHBondContact O-CB 3.46Å; E153-F156 PolarHBondContact O-N 3.08Å; E153-F156 WeakPolarHBondContact OE1-CD1 3.28Å; E153-E157 WeakPolarHBondContact O-CG 3.45Å; E153-E157 PolarHBondContact O-N 3.35Å; E153-W184 HydrophobicContact CB-CH2 4.47Å; E153-R188 IonicContact OE1-CZ 3.25Å; E153-R188 IonicContact OE1-NE 2.77Å; E153-R188 PolarHBondContact OE1-NE 3.34Å; E153-R188 IonicContact OE1-NH2 3.88Å; E153-R188 PolarHBondContact OE1-NH2 3.27Å; E153-R188 IonicContact OE2-CZ 3.16Å; E153-R188 VanDerWaalsContact OE2-CZ 3.25Å; E153-R188 IonicContact OE2-NE 2.81Å; E153-R188 PolarHBondContact OE2-NE 3.05Å; E153-R188 IonicContact OE2-NH2 3.83Å; E153-R188 PolarHBondContact OE2-NH2 3.13Å; E153-R188 VanDerWaalsContact OE2-NH2 3.16Å
154K98.3Very high98.1Very high136 Ų13678.1 Ų78.159%0.59138%0.38SS*.Hα-helixtrans-58.4-36.5177.4-177.5176.5-178.8177.60113M150 G151M150-K154 VanDerWaalsContact O-CB 3.25Å; M150-K154 WeakPolarHBondContact O-CB 3.49Å; M150-K154 PolarHBondContact O-N 3.22Å; G151-K154 PolarHBondContact O-N 3.08Å
155R98.2Very high98.1Very high74 Ų7479.7 Ų79.728%0.27939%0.394SS..Hα-helixtrans-75.8-37.6172.6-169.371.2-172.6-121.83.4111.4G151 E153 E157 K158 Q159 L162 D166 L170 Y185G151-R155 PolarHBondContact O-N 3.33Å; G151-R155 VanDerWaalsContact O-N 3.1Å; E153-R155 VanDerWaalsContact C-N 3.29Å; E153-R155 PolarHBondContact O-N 3.38Å; R155-E157 VanDerWaalsContact C-N 3.35Å; R155-E157 PolarHBondContact O-N 3.45Å; R155-K158 PolarHBondContact O-N 2.93Å; R155-Q159 VanDerWaalsContact NE-OE1 3.16Å; R155-Q159 PolarHBondContact O-N 2.94Å; R155-L162 HydrophobicContact CG-CD2 4.13Å; R155-D166 IonicContact CZ-OD1 2.69Å; R155-D166 VanDerWaalsContact NH2-CG 3.32Å; R155-D166 IonicContact NH2-OD1 2.67Å; R155-D166 PolarHBondContact NH2-OD1 3.01Å; R155-L170 HydrophobicContact CB-CD1 4.01Å; R155-L170 HydrophobicContact CB-CD2 4.05Å; R155-L170 HydrophobicContact CG-CD1 4.21Å; R155-L170 HydrophobicContact CG-CD2 3.95Å; R155-Y185 WeakPolarHBondContact CG-OH 3.13Å
156F98.5Very high98.1Very high2 Ų277.5 Ų77.51%0.00938%0.38CS..Hα-helixtrans-64.8-35.1177.2-177-98.5000113.2L152 E153 K158 Q159 K160 W184 Y185 R188 R189 W192L152-F156 VanDerWaalsContact O-CB 3.28Å; L152-F156 WeakPolarHBondContact O-CB 3.37Å; L152-F156 PolarHBondContact O-N 3.14Å; E153-F156 CarbonylContact O-C 3.48Å; E153-F156 WeakPolarHBondContact O-CA 3.45Å; E153-F156 WeakPolarHBondContact O-CB 3.46Å; E153-F156 PolarHBondContact O-N 3.08Å; E153-F156 WeakPolarHBondContact OE1-CD1 3.28Å; F156-K158 VanDerWaalsContact C-N 3.33Å; F156-K158 PolarHBondContact O-N 3.41Å; F156-Q159 CarbonylContact O-C 3.54Å; F156-Q159 PolarHBondContact O-N 3.27Å; F156-K160 HydrophobicContact CD1-CD 4.21Å; F156-K160 HydrophobicContact CE1-CD 3.67Å; F156-K160 HydrophobicContact CE2-CB 4.12Å; F156-K160 HydrophobicContact CE2-CD 4.01Å; F156-K160 HydrophobicContact CZ-CB 4.35Å; F156-K160 HydrophobicContact CZ-CD 3.55Å; F156-K160 WeakPolarHBondContact O-CD 3.42Å; F156-K160 WeakPolarHBondContact O-CE 3.28Å; F156-K160 PolarHBondContact O-NZ 3.21Å; F156-W184 HydrophobicContact CB-CH2 4.18Å; F156-W184 HydrophobicContact CB-CZ3 3.94Å; F156-W184 HydrophobicContact CD2-CZ3 4.4Å; F156-W184 HydrophobicContact CG-CZ3 4.24Å; F156-Y185 WeakPolarHBondContact CA-OH 3.47Å; F156-Y185 HydrophobicContact CB-CE1 4.35Å; F156-Y185 AromaticContact CD2-CD1 3.88Å; F156-Y185 HydrophobicContact CD2-CD1 3.88Å; F156-Y185 AromaticContact CD2-CE1 3.64Å; F156-Y185 HydrophobicContact CD2-CE1 3.64Å; F156-Y185 HydrophobicContact CE2-CD1 4.42Å; F156-Y185 HydrophobicContact CG-CE1 4.5Å; F156-Y185 PolarHBondContact N-OH 3.04Å; F156-R188 HydrophobicContact CD1-CG 3.56Å; F156-R188 HydrophobicContact CD2-CB 4.36Å; F156-R188 HydrophobicContact CD2-CG 3.79Å; F156-R188 HydrophobicContact CE1-CG 3.56Å; F156-R188 HydrophobicContact CE2-CB 4.25Å; F156-R188 HydrophobicContact CE2-CG 3.79Å; F156-R188 HydrophobicContact CG-CG 3.69Å; F156-R188 HydrophobicContact CZ-CB 4.45Å; F156-R188 HydrophobicContact CZ-CG 3.68Å; F156-R189 HydrophobicContact CE2-CG 3.8Å; F156-R189 HydrophobicContact CZ-CG 4.23Å; F156-W192 HydrophobicContact CE1-CB 4.26Å; F156-W192 HydrophobicContact CE1-CG 4.33Å; F156-W192 HydrophobicContact CZ-CB 4.08Å; F156-W192 HydrophobicContact CZ-CG 4.24Å
157E97.8Very high98.2Very high127 Ų12771.8 Ų71.859%0.59335%0.35SS*.Hα-helixtrans-55.3-49174.8-80.1175.6177.300111.5E153 R155 K160E153-E157 WeakPolarHBondContact O-CG 3.45Å; E153-E157 PolarHBondContact O-N 3.35Å; R155-E157 VanDerWaalsContact C-N 3.35Å; R155-E157 PolarHBondContact O-N 3.45Å; E157-K160 VanDerWaalsContact CA-NZ 3.29Å; E157-K160 PolarHBondContact O-NZ 3.24Å
158K97.8Very high98.2Very high174 Ų17468.4 Ų68.476%0.75733%0.332SS*.Hα-helixtrans-73.1-39.6177.9-58.4-176.6179.5-167.60113.3R155 F156R155-K158 PolarHBondContact O-N 2.93Å; F156-K158 VanDerWaalsContact C-N 3.33Å; F156-K158 PolarHBondContact O-N 3.41Å
159Q97.9Very high98.2Very high48 Ų4870.9 Ų70.922%0.22435%0.347CS..  trans-140.4103.2-168.5-174.6-179.62.700110.7R155 F156 Y161 L162 D166 Y185R155-Q159 VanDerWaalsContact NE-OE1 3.16Å; R155-Q159 PolarHBondContact O-N 2.94Å; F156-Q159 CarbonylContact O-C 3.54Å; F156-Q159 PolarHBondContact O-N 3.27Å; Q159-Y161 VanDerWaalsContact C-N 3.28Å; Q159-Y161 VanDerWaalsContact CG-O 3.23Å; Q159-Y161 WeakPolarHBondContact CG-O 3.44Å; Q159-Y161 PolarHBondContact NE2-O 3.03Å; Q159-Y161 PolarHBondContact O-N 3.1Å; Q159-L162 HydrophobicContact CB-CD2 4.48Å; Q159-L162 HydrophobicContact CG-CD2 4.08Å; Q159-D166 PolarHBondContact NE2-OD2 2.89Å; Q159-Y185 WeakPolarHBondContact O-CE1 3.47Å
160K97.5Very high98.2Very high59 Ų5967.8 Ų67.826%0.25733%0.331SS..SBendtrans-70.8-21.5-177.3-49.9-63.6162.8-1480113.6F156 E157 R189F156-K160 HydrophobicContact CD1-CD 4.21Å; F156-K160 HydrophobicContact CE1-CD 3.67Å; F156-K160 HydrophobicContact CE2-CB 4.12Å; F156-K160 HydrophobicContact CE2-CD 4.01Å; F156-K160 HydrophobicContact CZ-CB 4.35Å; F156-K160 HydrophobicContact CZ-CD 3.55Å; F156-K160 WeakPolarHBondContact O-CD 3.42Å; F156-K160 WeakPolarHBondContact O-CE 3.28Å; F156-K160 PolarHBondContact O-NZ 3.21Å; E157-K160 VanDerWaalsContact CA-NZ 3.29Å; E157-K160 PolarHBondContact O-NZ 3.24Å; K160-R189 WeakPolarHBondContact O-CD 3.46Å
161Y98.2Very high98.2Very high149 Ų14962.2 Ų62.258%0.58430%0.304SS*.SBendtrans-133.5115.8-177.2-64.2-111.2000109Q159Q159-Y161 VanDerWaalsContact C-N 3.28Å; Q159-Y161 VanDerWaalsContact CG-O 3.23Å; Q159-Y161 WeakPolarHBondContact CG-O 3.44Å; Q159-Y161 PolarHBondContact NE2-O 3.03Å; Q159-Y161 PolarHBondContact O-N 3.1Å
162L98.1Very high98.2Very high31 Ų3167.9 Ų67.916%0.16233%0.325CS..  trans-82.3141.6175.2-59.7-174.9000111.3R155 Q159 D166 R167 L170 V181 Y185R155-L162 HydrophobicContact CG-CD2 4.13Å; Q159-L162 HydrophobicContact CB-CD2 4.48Å; Q159-L162 HydrophobicContact CG-CD2 4.08Å; L162-D166 HydrophobicContact CB-CB 4.13Å; L162-D166 HydrophobicContact CD2-CB 4.05Å; L162-R167 HydrophobicContact CB-CB 4.3Å; L162-R167 HydrophobicContact CD1-CB 4.19Å; L162-L170 HydrophobicContact CD1-CB 4.48Å; L162-L170 HydrophobicContact CD1-CD2 3.66Å; L162-V181 HydrophobicContact CD1-CG1 3.85Å; L162-Y185 HydrophobicContact CD1-CD1 4.47Å; L162-Y185 HydrophobicContact CD1-CD2 4.03Å; L162-Y185 HydrophobicContact CD1-CE1 4.08Å; L162-Y185 HydrophobicContact CD1-CE2 3.62Å; L162-Y185 HydrophobicContact CD1-CG 4.44Å; L162-Y185 HydrophobicContact CD2-CE1 3.87Å; L162-Y185 HydrophobicContact CG-CD1 4.01Å; L162-Y185 HydrophobicContact CG-CD2 4.44Å; L162-Y185 HydrophobicContact CG-CE1 3.54Å; L162-Y185 HydrophobicContact CG-CE2 4.05Å; L162-Y185 HydrophobicContact CG-CG 4.42Å
163S98.2Very high98.2Very high50 Ų5072 Ų7235%0.3535%0.354SS..  trans-70.2178.9162730000110.8P165 D166 R167S163-P165 WeakPolarHBondContact OG-CD 3.28Å; S163-P165 WeakPolarHBondContact OG-CG 3.34Å; S163-D166 VanDerWaalsContact CB-OD2 3.32Å; S163-D166 WeakPolarHBondContact CB-OD2 3.4Å; S163-D166 PolarHBondContact N-OD2 3.08Å; S163-D166 PolarHBondContact OG-N 3.48Å; S163-D166 PolarHBondContact OG-OD2 3.07Å; S163-R167 WeakPolarHBondContact O-CB 3.28Å; S163-R167 PolarHBondContact O-N 3.29Å
164T98.2Very high98.2Very high80 Ų8070.9 Ų70.949%0.49135%0.349SS..Hα-helixtrans-65.8-49.4172.1-71.70000113.1R167 I168T164-R167 PolarHBondContact O-N 3.28Å; T164-R167 PolarHBondContact OG1-NH2 2.82Å; T164-I168 HydrophobicContact CG2-CD1 4.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.47Å; T164-I168 PolarHBondContact O-N 3.42Å
165P98.3Very high98.2Very high76 Ų7671.4 Ų71.449%0.49436%0.359SS..Hα-helixtrans-61.7-47.4176.121.1-31.1000112.6S163 R167 I168 D169S163-P165 WeakPolarHBondContact OG-CD 3.28Å; S163-P165 WeakPolarHBondContact OG-CG 3.34Å; P165-R167 PolarHBondContact O-N 3.14Å; P165-I168 WeakPolarHBondContact O-CA 3.09Å; P165-I168 WeakPolarHBondContact O-CB 3.45Å; P165-I168 PolarHBondContact O-N 3.23Å; P165-D169 PolarHBondContact O-N 2.83Å; P165-D169 VanDerWaalsContact O-N 3.08Å
166D98.3Very high98.2Very high34 Ų3468.8 Ų68.818%0.18235%0.35CS..Hα-helixtrans-55.5-30.9179-64.1-56.3000113.6R155 Q159 L162 S163 L170R155-D166 IonicContact CZ-OD1 2.69Å; R155-D166 VanDerWaalsContact NH2-CG 3.32Å; R155-D166 IonicContact NH2-OD1 2.67Å; R155-D166 PolarHBondContact NH2-OD1 3.01Å; Q159-D166 PolarHBondContact NE2-OD2 2.89Å; L162-D166 HydrophobicContact CB-CB 4.13Å; L162-D166 HydrophobicContact CD2-CB 4.05Å; S163-D166 VanDerWaalsContact CB-OD2 3.32Å; S163-D166 WeakPolarHBondContact CB-OD2 3.4Å; S163-D166 PolarHBondContact N-OD2 3.08Å; S163-D166 PolarHBondContact OG-N 3.48Å; S163-D166 PolarHBondContact OG-OD2 3.07Å; D166-L170 VanDerWaalsContact O-CB 3.28Å; D166-L170 WeakPolarHBondContact O-CB 3.41Å; D166-L170 PolarHBondContact O-N 3.26Å; D166-L170 VanDerWaalsContact O-N 3.13Å
167R98.6Very high98.1Very high50 Ų5071.2 Ų71.219%0.18937%0.367CS..Hα-helixtrans-75.9-28.4177.8178.2-178.865.1-119.9-5.4112.3L162 S163 T164 P165 A171 Q178 V181L162-R167 HydrophobicContact CB-CB 4.3Å; L162-R167 HydrophobicContact CD1-CB 4.19Å; S163-R167 WeakPolarHBondContact O-CB 3.28Å; S163-R167 PolarHBondContact O-N 3.29Å; T164-R167 PolarHBondContact O-N 3.28Å; T164-R167 PolarHBondContact OG1-NH2 2.82Å; P165-R167 PolarHBondContact O-N 3.14Å; R167-A171 WeakPolarHBondContact O-CB 3.35Å; R167-A171 PolarHBondContact O-N 3.46Å; R167-A171 VanDerWaalsContact O-N 3.14Å; R167-Q178 HydrophobicContact CG-CB 4.22Å; R167-Q178 HydrophobicContact CG-CG 4.48Å; R167-V181 HydrophobicContact CG-CB 4.27Å; R167-V181 HydrophobicContact CG-CG1 4.07Å
168I98.6Very high98.2Very high51 Ų5169.1 Ų69.126%0.26236%0.357SS..Hα-helixtrans-70.8-54.3173.8-64.6166.9000108.1T164 P165 L170 A171 E172 Q178T164-I168 HydrophobicContact CG2-CD1 4.27Å; T164-I168 WeakPolarHBondContact O-CG1 3.47Å; T164-I168 PolarHBondContact O-N 3.42Å; P165-I168 WeakPolarHBondContact O-CA 3.09Å; P165-I168 WeakPolarHBondContact O-CB 3.45Å; P165-I168 PolarHBondContact O-N 3.23Å; I168-L170 VanDerWaalsContact C-N 3.29Å; I168-L170 PolarHBondContact O-N 2.99Å; I168-A171 WeakPolarHBondContact O-CA 3.34Å; I168-A171 WeakPolarHBondContact O-CB 3.33Å; I168-A171 PolarHBondContact O-N 3.11Å; I168-E172 HydrophobicContact CG2-CG 4.49Å; I168-E172 VanDerWaalsContact CG2-OE1 3.28Å; I168-E172 WeakPolarHBondContact CG2-OE1 3.42Å; I168-E172 PolarHBondContact O-N 3.43Å; I168-Q178 HydrophobicContact CG1-CG 4.34Å
169D98.4Very high98.2Very high84 Ų8466.4 Ų66.445%0.44935%0.351SS..Hα-helixtrans-56.4-41.4179.8-46.7-14.8000112.3P165 S173P165-D169 PolarHBondContact O-N 2.83Å; P165-D169 VanDerWaalsContact O-N 3.08Å; D169-S173 WeakPolarHBondContact O-CB 3.47Å; D169-S173 PolarHBondContact O-N 3.27Å; D169-S173 PolarHBondContact O-OG 3.1Å
170L98.4Very high98.2Very high11 Ų1166.5 Ų66.56%0.05835%0.351CS..Hα-helixtrans-74.2-26.9177.3-170.165.6000113.4L152 R155 L162 D166 I168 S173 L174 V181 Y185L152-L170 HydrophobicContact CD2-CD2 4Å; L152-L170 HydrophobicContact CD2-CG 4.46Å; R155-L170 HydrophobicContact CB-CD1 4.01Å; R155-L170 HydrophobicContact CB-CD2 4.05Å; R155-L170 HydrophobicContact CG-CD1 4.21Å; R155-L170 HydrophobicContact CG-CD2 3.95Å; L162-L170 HydrophobicContact CD1-CB 4.48Å; L162-L170 HydrophobicContact CD1-CD2 3.66Å; D166-L170 VanDerWaalsContact O-CB 3.28Å; D166-L170 WeakPolarHBondContact O-CB 3.41Å; D166-L170 PolarHBondContact O-N 3.26Å; D166-L170 VanDerWaalsContact O-N 3.13Å; I168-L170 VanDerWaalsContact C-N 3.29Å; I168-L170 PolarHBondContact O-N 2.99Å; L170-S173 WeakPolarHBondContact CA-OG 3.49Å; L170-L174 HydrophobicContact CD1-CD1 3.74Å; L170-L174 HydrophobicContact CD1-CG 4.28Å; L170-L174 HydrophobicContact CG-CD1 4.09Å; L170-V181 HydrophobicContact CD2-CG1 3.96Å; L170-Y185 HydrophobicContact CD2-CE2 3.73Å
171A98.4Very high98.2Very high5 Ų563.8 Ų63.84%0.04134%0.339CS..Hα-helixtrans-71.5-47.2174.900000110.3R167 I168 L174 D175 L176 Q178 V181R167-A171 WeakPolarHBondContact O-CB 3.35Å; R167-A171 PolarHBondContact O-N 3.46Å; R167-A171 VanDerWaalsContact O-N 3.14Å; I168-A171 WeakPolarHBondContact O-CA 3.34Å; I168-A171 WeakPolarHBondContact O-CB 3.33Å; I168-A171 PolarHBondContact O-N 3.11Å; A171-L174 PolarHBondContact O-N 2.98Å; A171-D175 PolarHBondContact O-N 3.42Å; A171-L176 CarbonylContact C-O 3.45Å; A171-L176 WeakPolarHBondContact CA-O 3.35Å; A171-L176 VanDerWaalsContact CB-O 3.23Å; A171-L176 WeakPolarHBondContact CB-O 3.4Å; A171-L176 PolarHBondContact O-N 2.9Å; A171-Q178 HydrophobicContact CB-CG 4.15Å; A171-V181 HydrophobicContact CB-CG2 4.07Å
172E98.4Very high98.2Very high139 Ų13962.4 Ų62.465%0.6534%0.336SS*.Hα-helixtrans-64.9-46.8178.4-68.3174.4-174.500111.9I168 L174 D175I168-E172 HydrophobicContact CG2-CG 4.49Å; I168-E172 VanDerWaalsContact CG2-OE1 3.28Å; I168-E172 WeakPolarHBondContact CG2-OE1 3.42Å; I168-E172 PolarHBondContact O-N 3.43Å; E172-L174 PolarHBondContact O-N 3.09Å; E172-L174 VanDerWaalsContact O-N 3.12Å; E172-D175 PolarHBondContact O-N 3.45Å
173S98.1Very high98.2Very high85 Ų8563.8 Ų63.859%0.59435%0.346SS*.THydrogen-bonded Turntrans-69.1-7.3-179.254.80000115.9D169 L170D169-S173 WeakPolarHBondContact O-CB 3.47Å; D169-S173 PolarHBondContact O-N 3.27Å; D169-S173 PolarHBondContact O-OG 3.1Å; L170-S173 WeakPolarHBondContact CA-OG 3.49Å
174L97.8Very high98.2Very high23 Ų2362.9 Ų62.912%0.1234%0.335CS..THydrogen-bonded Turntrans-124.86.6179.8-62.7-179.2000113.7Q148 L152 L170 A171 E172 L176Q148-L174 HydrophobicContact CG-CB 4.44Å; Q148-L174 WeakPolarHBondContact CG-O 3.23Å; Q148-L174 PolarHBondContact NE2-O 2.78Å; L152-L174 HydrophobicContact CD2-CD1 4.04Å; L152-L174 HydrophobicContact CG-CD1 3.81Å; L170-L174 HydrophobicContact CD1-CD1 3.74Å; L170-L174 HydrophobicContact CD1-CG 4.28Å; L170-L174 HydrophobicContact CG-CD1 4.09Å; A171-L174 PolarHBondContact O-N 2.98Å; E172-L174 PolarHBondContact O-N 3.09Å; E172-L174 VanDerWaalsContact O-N 3.12Å; L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 HydrophobicContact CB-CD1 4.19Å; L174-L176 HydrophobicContact CB-CG 4.19Å; L174-L176 PolarHBondContact O-N 2.81Å
175D98.3Very high98.2Very high148 Ų14859.5 Ų59.579%0.79131%0.314SS*.THydrogen-bonded Turntrans52.246.2-173.8-62.7-59.2000113.1A171 E172A171-D175 PolarHBondContact O-N 3.42Å; E172-D175 PolarHBondContact O-N 3.45Å
176L97.7Very high98.2Very high18 Ų1860.9 Ų60.99%0.09431%0.314CS..  trans-119.7153.2179-67.5-179.3000111.3F144 Q148 L152 A171 L174 V181F144-L176 HydrophobicContact CD1-CD1 4.36Å; F144-L176 HydrophobicContact CD1-CD2 3.68Å; F144-L176 HydrophobicContact CE1-CD1 4.35Å; F144-L176 HydrophobicContact CE1-CD2 3.68Å; Q148-L176 HydrophobicContact CG-CG 4.49Å; L152-L176 HydrophobicContact CD1-CD1 3.95Å; L152-L176 HydrophobicContact CD2-CD1 4.43Å; L152-L176 HydrophobicContact CG-CD1 4.45Å; A171-L176 CarbonylContact C-O 3.45Å; A171-L176 WeakPolarHBondContact CA-O 3.35Å; A171-L176 VanDerWaalsContact CB-O 3.23Å; A171-L176 WeakPolarHBondContact CB-O 3.4Å; A171-L176 PolarHBondContact O-N 2.9Å; L174-L176 VanDerWaalsContact C-N 3.31Å; L174-L176 HydrophobicContact CB-CD1 4.19Å; L174-L176 HydrophobicContact CB-CG 4.19Å; L174-L176 PolarHBondContact O-N 2.81Å; L176-V181 HydrophobicContact CB-CG2 4.02Å; L176-V181 HydrophobicContact CD1-CG2 4.33Å
177S98.1Very high98.2Very high53 Ų5364.2 Ų64.237%0.37133%0.331SS..  trans-74.3148167.3680000111.5L179 Q180 V181S177-L179 PolarHBondContact O-N 2.69Å; S177-Q180 WeakPolarHBondContact O-CB 3.33Å; S177-Q180 PolarHBondContact O-N 3.33Å; S177-Q180 WeakPolarHBondContact OG-CG 3.24Å; S177-Q180 PolarHBondContact OG-N 3.24Å; S177-Q180 PolarHBondContact OG-OE1 3.45Å; S177-V181 PolarHBondContact O-N 3.44Å; S177-V181 VanDerWaalsContact O-N 3.08Å
178Q98.2Very high98.1Very high83 Ų8364.3 Ų64.339%0.38833%0.332SS..Hα-helixtrans-52-32.2172.2-63.7-175.642.700113R167 I168 A171 K182R167-Q178 HydrophobicContact CG-CB 4.22Å; R167-Q178 HydrophobicContact CG-CG 4.48Å; I168-Q178 HydrophobicContact CG1-CG 4.34Å; A171-Q178 HydrophobicContact CB-CG 4.15Å; Q178-K182 VanDerWaalsContact O-CB 3.24Å; Q178-K182 WeakPolarHBondContact O-CB 3.36Å; Q178-K182 PolarHBondContact O-N 3.36Å
179L97.6Very high98.1Very high117 Ų11765.3 Ų65.361%0.61333%0.332SS*.Hα-helixtrans-68-43.7176.3179.559.9000111.8S177 K182 T183S177-L179 PolarHBondContact O-N 2.69Å; L179-K182 PolarHBondContact O-N 2.98Å; L179-T183 WeakPolarHBondContact O-CB 3.42Å; L179-T183 PolarHBondContact O-N 3.35Å; L179-T183 PolarHBondContact O-OG1 2.79Å
180Q97.9Very high98Very high51 Ų5166.8 Ų66.824%0.23834%0.338CS..Hα-helixtrans-61.1-46.2175.2-76.2158.8-55.700111F144 S177 K182 T183 W184F144-Q180 HydrophobicContact CE1-CB 4.02Å; F144-Q180 HydrophobicContact CE1-CG 4.12Å; F144-Q180 HydrophobicContact CZ-CB 3.97Å; F144-Q180 HydrophobicContact CZ-CG 4.22Å; S177-Q180 WeakPolarHBondContact O-CB 3.33Å; S177-Q180 PolarHBondContact O-N 3.33Å; S177-Q180 WeakPolarHBondContact OG-CG 3.24Å; S177-Q180 PolarHBondContact OG-N 3.24Å; S177-Q180 PolarHBondContact OG-OE1 3.45Å; Q180-K182 PolarHBondContact O-N 2.81Å; Q180-T183 PolarHBondContact O-N 3.31Å; Q180-W184 WeakPolarHBondContact O-CB 3.47Å; Q180-W184 PolarHBondContact O-N 2.59Å
181V98.4Very high97.9Very high1 Ų172 Ų721%0.00636%0.36CS..Hα-helixtrans-59-47.9175.2179.70000110.8L152 L162 R167 L170 A171 L176 S177 T183 W184 Y185L152-V181 HydrophobicContact CD2-CG1 4.31Å; L152-V181 HydrophobicContact CD2-CG2 4.42Å; L162-V181 HydrophobicContact CD1-CG1 3.85Å; R167-V181 HydrophobicContact CG-CB 4.27Å; R167-V181 HydrophobicContact CG-CG1 4.07Å; L170-V181 HydrophobicContact CD2-CG1 3.96Å; A171-V181 HydrophobicContact CB-CG2 4.07Å; L176-V181 HydrophobicContact CB-CG2 4.02Å; L176-V181 HydrophobicContact CD1-CG2 4.33Å; S177-V181 PolarHBondContact O-N 3.44Å; S177-V181 VanDerWaalsContact O-N 3.08Å; V181-T183 PolarHBondContact O-N 2.9Å; V181-W184 PolarHBondContact O-N 3.24Å; V181-Y185 HydrophobicContact CG1-CD2 3.96Å; V181-Y185 HydrophobicContact CG1-CE2 4.21Å; V181-Y185 WeakPolarHBondContact O-CB 3.23Å; V181-Y185 WeakPolarHBondContact O-CD2 3.38Å; V181-Y185 PolarHBondContact O-N 3.11Å
182K97.9Very high97.7Very high120 Ų12076.3 Ų76.352%0.52238%0.375SS..Hα-helixtrans-57.2-47.6176.7179.3-178.9178.6179.10112.4Q178 L179 Q180 Y185 Q186Q178-K182 VanDerWaalsContact O-CB 3.24Å; Q178-K182 WeakPolarHBondContact O-CB 3.36Å; Q178-K182 PolarHBondContact O-N 3.36Å; L179-K182 PolarHBondContact O-N 2.98Å; Q180-K182 PolarHBondContact O-N 2.81Å; K182-Y185 PolarHBondContact O-N 3.3Å; K182-Q186 WeakPolarHBondContact O-CB 3.34Å; K182-Q186 PolarHBondContact O-N 3.37Å
183T98.1Very high97.5Very high61 Ų6175.2 Ų75.237%0.37437%0.368SS..Hα-helixtrans-67.2-41179.1-67.10000111.7L179 Q180 V181 Q186 N187L179-T183 WeakPolarHBondContact O-CB 3.42Å; L179-T183 PolarHBondContact O-N 3.35Å; L179-T183 PolarHBondContact O-OG1 2.79Å; Q180-T183 PolarHBondContact O-N 3.31Å; V181-T183 PolarHBondContact O-N 2.9Å; T183-Q186 PolarHBondContact O-N 3.06Å; T183-N187 VanDerWaalsContact O-CG 3.27Å; T183-N187 PolarHBondContact O-N 3.04Å; T183-N187 PolarHBondContact O-ND2 3.42Å
184W98.2Very high97.2Very high31 Ų3177.6 Ų77.612%0.11737%0.368CS..Hα-helixtrans-61.6-47.9175-170.6102.5000110.9F144 L152 E153 F156 Q180 V181 Q186 N187 R188F144-W184 AromaticContact CD2-CD1 3.92Å; F144-W184 AromaticContact CE2-CD1 3.77Å; L152-W184 HydrophobicContact CB-CD2 3.97Å; L152-W184 HydrophobicContact CB-CE3 3.97Å; L152-W184 HydrophobicContact CB-CH2 3.78Å; L152-W184 HydrophobicContact CB-CZ2 3.74Å; L152-W184 HydrophobicContact CB-CZ3 3.88Å; L152-W184 HydrophobicContact CD1-CB 4.46Å; L152-W184 HydrophobicContact CD1-CD2 3.9Å; L152-W184 HydrophobicContact CD1-CG 3.81Å; L152-W184 HydrophobicContact CD2-CD2 4.39Å; L152-W184 HydrophobicContact CD2-CE3 4.29Å; L152-W184 HydrophobicContact CG-CD2 4.31Å; E153-W184 HydrophobicContact CB-CH2 4.47Å; F156-W184 HydrophobicContact CB-CH2 4.18Å; F156-W184 HydrophobicContact CB-CZ3 3.94Å; F156-W184 HydrophobicContact CD2-CZ3 4.4Å; F156-W184 HydrophobicContact CG-CZ3 4.24Å; Q180-W184 WeakPolarHBondContact O-CB 3.47Å; Q180-W184 PolarHBondContact O-N 2.59Å; V181-W184 PolarHBondContact O-N 3.24Å; W184-Q186 VanDerWaalsContact C-N 3.3Å; W184-Q186 PolarHBondContact O-N 2.67Å; W184-N187 PolarHBondContact O-N 2.9Å; W184-R188 HydrophobicContact CD2-CB 4.41Å; W184-R188 HydrophobicContact CE3-CB 3.87Å; W184-R188 HydrophobicContact CE3-CG 4.37Å; W184-R188 HydrophobicContact CH2-CB 3.99Å; W184-R188 HydrophobicContact CH2-CG 3.61Å; W184-R188 HydrophobicContact CZ2-CG 4.36Å; W184-R188 HydrophobicContact CZ3-CB 3.64Å; W184-R188 HydrophobicContact CZ3-CG 3.63Å; W184-R188 WeakPolarHBondContact O-CB 3.32Å; W184-R188 PolarHBondContact O-N 3.4Å
185Y98.6Very high96.7Very high8 Ų880.4 Ų80.43%0.03138%0.382CS..Hα-helixtrans-62.5-32.5176.4-96.9-101.6000113.7L152 R155 F156 Q159 L162 L170 V181 K182 R189L152-Y185 HydrophobicContact CD2-CE2 4.3Å; R155-Y185 WeakPolarHBondContact CG-OH 3.13Å; F156-Y185 WeakPolarHBondContact CA-OH 3.47Å; F156-Y185 HydrophobicContact CB-CE1 4.35Å; F156-Y185 AromaticContact CD2-CD1 3.88Å; F156-Y185 HydrophobicContact CD2-CD1 3.88Å; F156-Y185 AromaticContact CD2-CE1 3.64Å; F156-Y185 HydrophobicContact CD2-CE1 3.64Å; F156-Y185 HydrophobicContact CE2-CD1 4.42Å; F156-Y185 HydrophobicContact CG-CE1 4.5Å; F156-Y185 PolarHBondContact N-OH 3.04Å; Q159-Y185 WeakPolarHBondContact O-CE1 3.47Å; L162-Y185 HydrophobicContact CD1-CD1 4.47Å; L162-Y185 HydrophobicContact CD1-CD2 4.03Å; L162-Y185 HydrophobicContact CD1-CE1 4.08Å; L162-Y185 HydrophobicContact CD1-CE2 3.62Å; L162-Y185 HydrophobicContact CD1-CG 4.44Å; L162-Y185 HydrophobicContact CD2-CE1 3.87Å; L162-Y185 HydrophobicContact CG-CD1 4.01Å; L162-Y185 HydrophobicContact CG-CD2 4.44Å; L162-Y185 HydrophobicContact CG-CE1 3.54Å; L162-Y185 HydrophobicContact CG-CE2 4.05Å; L162-Y185 HydrophobicContact CG-CG 4.42Å; L170-Y185 HydrophobicContact CD2-CE2 3.73Å; V181-Y185 HydrophobicContact CG1-CD2 3.96Å; V181-Y185 HydrophobicContact CG1-CE2 4.21Å; V181-Y185 WeakPolarHBondContact O-CB 3.23Å; V181-Y185 WeakPolarHBondContact O-CD2 3.38Å; V181-Y185 PolarHBondContact O-N 3.11Å; K182-Y185 PolarHBondContact O-N 3.3Å; Y185-R189 WeakPolarHBondContact O-CB 3.32Å; Y185-R189 WeakPolarHBondContact O-CG 3.39Å; Y185-R189 PolarHBondContact O-N 3.19Å; Y185-R189 VanDerWaalsContact O-N 3.11Å; Y185-R189 PolarHBondContact O-NE 3.32Å; Y185-R189 VanDerWaalsContact O-NE 3.09Å
186Q98.4Very high96.2Very high106 Ų10677.4 Ų77.450%0.49537%0.369SS..Hα-helixtrans-67.3-49.4172.6-171.2172.71200111K182 T183 W184 R188 R189 M190K182-Q186 WeakPolarHBondContact O-CB 3.34Å; K182-Q186 PolarHBondContact O-N 3.37Å; T183-Q186 PolarHBondContact O-N 3.06Å; W184-Q186 VanDerWaalsContact C-N 3.3Å; W184-Q186 PolarHBondContact O-N 2.67Å; Q186-R188 VanDerWaalsContact C-N 3.35Å; Q186-R188 PolarHBondContact O-N 2.99Å; Q186-R189 PolarHBondContact O-N 2.88Å; Q186-M190 WeakPolarHBondContact O-CG 3.17Å; Q186-M190 PolarHBondContact O-N 3.36Å; Q186-M190 VanDerWaalsContact O-N 3.1Å
187N97.7Very high95.3Very high104 Ų10483.5 Ų83.556%0.55640%0.401SS*.Hα-helixtrans-61.9-41.7177.4-68-23.1000111.9T183 W184 M190 K191T183-N187 VanDerWaalsContact O-CG 3.27Å; T183-N187 PolarHBondContact O-N 3.04Å; T183-N187 PolarHBondContact O-ND2 3.42Å; W184-N187 PolarHBondContact O-N 2.9Å; N187-M190 PolarHBondContact O-N 3.5Å; N187-K191 PolarHBondContact O-N 3.13Å
188R97.9Very high94.3Very high51 Ų5188.2 Ų88.219%0.19242%0.417CS..Hα-helixtrans-64.9-45.4179.9-172.466.5-177.5124.2-12.9111.8E153 F156 W184 Q186 M190 K191 W192E153-R188 IonicContact OE1-CZ 3.25Å; E153-R188 IonicContact OE1-NE 2.77Å; E153-R188 PolarHBondContact OE1-NE 3.34Å; E153-R188 IonicContact OE1-NH2 3.88Å; E153-R188 PolarHBondContact OE1-NH2 3.27Å; E153-R188 IonicContact OE2-CZ 3.16Å; E153-R188 VanDerWaalsContact OE2-CZ 3.25Å; E153-R188 IonicContact OE2-NE 2.81Å; E153-R188 PolarHBondContact OE2-NE 3.05Å; E153-R188 IonicContact OE2-NH2 3.83Å; E153-R188 PolarHBondContact OE2-NH2 3.13Å; E153-R188 VanDerWaalsContact OE2-NH2 3.16Å; F156-R188 HydrophobicContact CD1-CG 3.56Å; F156-R188 HydrophobicContact CD2-CB 4.36Å; F156-R188 HydrophobicContact CD2-CG 3.79Å; F156-R188 HydrophobicContact CE1-CG 3.56Å; F156-R188 HydrophobicContact CE2-CB 4.25Å; F156-R188 HydrophobicContact CE2-CG 3.79Å; F156-R188 HydrophobicContact CG-CG 3.69Å; F156-R188 HydrophobicContact CZ-CB 4.45Å; F156-R188 HydrophobicContact CZ-CG 3.68Å; W184-R188 HydrophobicContact CD2-CB 4.41Å; W184-R188 HydrophobicContact CE3-CB 3.87Å; W184-R188 HydrophobicContact CE3-CG 4.37Å; W184-R188 HydrophobicContact CH2-CB 3.99Å; W184-R188 HydrophobicContact CH2-CG 3.61Å; W184-R188 HydrophobicContact CZ2-CG 4.36Å; W184-R188 HydrophobicContact CZ3-CB 3.64Å; W184-R188 HydrophobicContact CZ3-CG 3.63Å; W184-R188 WeakPolarHBondContact O-CB 3.32Å; W184-R188 PolarHBondContact O-N 3.4Å; Q186-R188 VanDerWaalsContact C-N 3.35Å; Q186-R188 PolarHBondContact O-N 2.99Å; R188-M190 VanDerWaalsContact C-N 3.33Å; R188-M190 PolarHBondContact O-N 3.39Å; R188-K191 PolarHBondContact O-N 3.01Å; R188-W192 WeakPolarHBondContact O-CB 3.48Å; R188-W192 PolarHBondContact O-N 3.15Å
189R97.8Very high92.4Very high73 Ų7387.2 Ų87.228%0.27543%0.429SS..Hα-helixtrans-60.5-38.6172.9-76.5-179.7-68.1165.83.2112.6F156 K160 Y185 Q186 W192 K193F156-R189 HydrophobicContact CE2-CG 3.8Å; F156-R189 HydrophobicContact CZ-CG 4.23Å; K160-R189 WeakPolarHBondContact O-CD 3.46Å; Y185-R189 WeakPolarHBondContact O-CB 3.32Å; Y185-R189 WeakPolarHBondContact O-CG 3.39Å; Y185-R189 PolarHBondContact O-N 3.19Å; Y185-R189 VanDerWaalsContact O-N 3.11Å; Y185-R189 PolarHBondContact O-NE 3.32Å; Y185-R189 VanDerWaalsContact O-NE 3.09Å; Q186-R189 PolarHBondContact O-N 2.88Å; R189-W192 PolarHBondContact O-N 3.35Å; R189-K193 WeakPolarHBondContact O-CB 3.26Å; R189-K193 PolarHBondContact O-N 3.46Å
190M97.1Very high90.6Very high115 Ų11584.9 Ų84.957%0.56743%0.433SS*.Hα-helixtrans-66.4-40.7176.3-68.5-64-77.600112.2Q186 N187 R188 K194Q186-M190 WeakPolarHBondContact O-CG 3.17Å; Q186-M190 PolarHBondContact O-N 3.36Å; Q186-M190 VanDerWaalsContact O-N 3.1Å; N187-M190 PolarHBondContact O-N 3.5Å; R188-M190 VanDerWaalsContact C-N 3.33Å; R188-M190 PolarHBondContact O-N 3.39Å; M190-K194 PolarHBondContact O-N 3.29Å; M190-K194 VanDerWaalsContact O-N 3.14Å
191K94.9Very high88.3Confident120 Ų12085.2 Ų85.252%0.52245%0.451SS..Hα-helixtrans-64.4-46.4172.5-175179.4177.7-173.80111.3N187 R188 K194 I195N187-K191 PolarHBondContact O-N 3.13Å; R188-K191 PolarHBondContact O-N 3.01Å; K191-K194 PolarHBondContact O-N 2.94Å; K191-I195 HydrophobicContact CG-CD1 3.96Å; K191-I195 WeakPolarHBondContact O-CG1 3.31Å; K191-I195 PolarHBondContact O-N 3.02Å; K191-I195 VanDerWaalsContact O-N 3.07Å
192W94.4Very high86Confident95 Ų9594 Ų9436%0.3650%0.496SS..Hα-helixtrans-60.2-49.6177.9175.772.7000111.8F156 R188 R189 K194 I195 V196F156-W192 HydrophobicContact CE1-CB 4.26Å; F156-W192 HydrophobicContact CE1-CG 4.33Å; F156-W192 HydrophobicContact CZ-CB 4.08Å; F156-W192 HydrophobicContact CZ-CG 4.24Å; R188-W192 WeakPolarHBondContact O-CB 3.48Å; R188-W192 PolarHBondContact O-N 3.15Å; R189-W192 PolarHBondContact O-N 3.35Å; W192-K194 VanDerWaalsContact C-N 3.28Å; W192-K194 PolarHBondContact O-N 3.43Å; W192-I195 PolarHBondContact O-N 2.97Å; W192-I195 VanDerWaalsContact O-N 3.08Å; W192-V196 HydrophobicContact CD2-CG2 4.18Å; W192-V196 HydrophobicContact CG-CG2 4.35Å; W192-V196 HydrophobicContact CZ2-CG2 4.07Å; W192-V196 WeakPolarHBondContact O-CG2 3.28Å; W192-V196 PolarHBondContact O-N 3.4Å
193K94.4Very high83.8Confident117 Ų11793.5 Ų93.551%0.50950%0.496SS..Hα-helixtrans-56.7-40.9175.6-171.8179.372.6164.30112R189 L197R189-K193 WeakPolarHBondContact O-CB 3.26Å; R189-K193 PolarHBondContact O-N 3.46Å; K193-L197 WeakPolarHBondContact O-CB 3.24Å; K193-L197 PolarHBondContact O-N 3.1Å
194K91.3Very high81.4Confident135 Ų13593.6 Ų93.659%0.58750%0.499SS*.Hα-helixtrans-61.4-46.1175.8-176.2-179.4-67.4-1700111.7M190 K191 W192 Q198M190-K194 PolarHBondContact O-N 3.29Å; M190-K194 VanDerWaalsContact O-N 3.14Å; K191-K194 PolarHBondContact O-N 2.94Å; W192-K194 VanDerWaalsContact C-N 3.28Å; W192-K194 PolarHBondContact O-N 3.43Å; K194-Q198 VanDerWaalsContact O-CB 3.28Å; K194-Q198 WeakPolarHBondContact O-CB 3.29Å; K194-Q198 WeakPolarHBondContact O-CG 3.27Å; K194-Q198 PolarHBondContact O-N 3.29Å
195I88.7Confident79.4Confident82 Ų8298 Ų9842%0.42153%0.532SS..Hα-helixtrans-65.2-44.8-179.8-65.5162.7000111.3K191 W192 G199K191-I195 HydrophobicContact CG-CD1 3.96Å; K191-I195 WeakPolarHBondContact O-CG1 3.31Å; K191-I195 PolarHBondContact O-N 3.02Å; K191-I195 VanDerWaalsContact O-N 3.07Å; W192-I195 PolarHBondContact O-N 2.97Å; W192-I195 VanDerWaalsContact O-N 3.08Å; I195-G199 PolarHBondContact O-N 3.36Å
196V85.9Confident77.2Confident85 Ų85103.3 Ų103.352%0.51557%0.565SS.*Hα-helixtrans-66.4-47.8179.3174.20000111.1W192 Q198 G199W192-V196 HydrophobicContact CD2-CG2 4.18Å; W192-V196 HydrophobicContact CG-CG2 4.35Å; W192-V196 HydrophobicContact CZ2-CG2 4.07Å; W192-V196 WeakPolarHBondContact O-CG2 3.28Å; W192-V196 PolarHBondContact O-N 3.4Å; V196-Q198 VanDerWaalsContact C-N 3.34Å; V196-Q198 PolarHBondContact O-N 2.98Å; V196-G199 PolarHBondContact O-N 3.33Å
197L80.1Confident74.7Confident146 Ų146104.9 Ų104.976%0.76457%0.57SS**Hα-helixtrans-76.4-18.4-175.3-161.568.3000113.6K193K193-L197 WeakPolarHBondContact O-CB 3.24Å; K193-L197 PolarHBondContact O-N 3.1Å
198Q76.3Confident72.3Confident152 Ų152105.9 Ų105.971%0.7158%0.583SS**THydrogen-bonded Turntrans-93.410.5171.1-68.3-171.7-40.300113.5K194 V196K194-Q198 VanDerWaalsContact O-CB 3.28Å; K194-Q198 WeakPolarHBondContact O-CB 3.29Å; K194-Q198 WeakPolarHBondContact O-CG 3.27Å; K194-Q198 PolarHBondContact O-N 3.29Å; V196-Q198 VanDerWaalsContact C-N 3.34Å; V196-Q198 PolarHBondContact O-N 2.98Å
199G58.8Low69.9Low61 Ų61112.3 Ų112.363%0.62961%0.612SS**THydrogen-bonded Turntrans66.473.4167.100000114.9I195 V196 G201I195-G199 PolarHBondContact O-N 3.36Å; V196-G199 PolarHBondContact O-N 3.33Å; G199-G201 PolarHBondContact O-N 3.43Å
200G60.2Low67.4Low69 Ų69111.8 Ų111.871%0.71163%0.629SS**SBendtrans68.55.2155.300000118.1L202G200-L202 PolarHBondContact O-N 2.84Å
201G49.3Very low65.2Low58 Ų58117.5 Ų117.560%0.59865%0.645SS**  trans-75.4103.6-179.900000114G199 E203G199-G201 PolarHBondContact O-N 3.43Å; G201-E203 VanDerWaalsContact C-N 3.28Å; G201-E203 PolarHBondContact O-N 2.99Å
202L49.7Very low63.3Low184 Ų184117.6 Ų117.696%0.96366%0.657SS**  trans-69.883.1160.7-70.9176.8000109.9G200G200-L202 PolarHBondContact O-N 2.84Å
203E52.5Low61Low110 Ų110122.8 Ų122.851%0.51468%0.682SS.*  trans-123.8133.2166.4-110.1-75.475.800111G201G201-E203 VanDerWaalsContact C-N 3.28Å; G201-E203 PolarHBondContact O-N 2.99Å
204S48Very low58.9Low63 Ų63126 Ų12644%0.44170%0.696SS.*  trans-72.7141.6-168.253.70000112.6T206S204-T206 PolarHBondContact O-N 3.14Å
205P55.3Low57.1Low125 Ų125127 Ų12781%0.81271%0.708SS**THydrogen-bonded Turntrans-64.911.7-178.5-25.635.9000117.9
206T51.9Low55.3Low119 Ų119128.6 Ų128.673%0.7373%0.726SS**THydrogen-bonded Turntrans-112.2-6.4-170.244.50000115.2S204S204-T206 PolarHBondContact O-N 3.14Å
207K45.8Very low53.5Low138 Ų138132.1 Ų132.160%0.674%0.741SS**SBendtrans-85.5121.8167.1-85.4168.6-177.4161.50110.3K209K207-K209 VanDerWaalsContact C-N 3.35Å; K207-K209 PolarHBondContact O-N 3.36Å
208P47.7Very low52Low126 Ų126130.2 Ų130.282%0.81874%0.737SS**  trans-66.897.3169.227.9-32.1000108.2G210P208-G210 PolarHBondContact O-N 3.29Å
209K48.5Very low50.6Low185 Ų185126.7 Ų126.780%0.80473%0.729SS**  trans-64.698.4177.8-160.378.4168-171.10107.8K207K207-K209 VanDerWaalsContact C-N 3.35Å; K207-K209 PolarHBondContact O-N 3.36Å
210G44.4Very low50.4Low62 Ų62128.6 Ų128.664%0.63973%0.733SS**  trans-54.1144-178.100000111.6P208P208-G210 PolarHBondContact O-N 3.29Å
211R51Low50.1Low236 Ų236132.6 Ų132.689%0.89173%0.733SS**  trans-23.4126.8164-176.1-175.3-166.31795.8111.8K213R211-K213 PolarHBondContact O-N 2.99Å
212P54.4Low49.9Very low121 Ų121137.2 Ų137.279%0.78674%0.739SS**  trans-56.2119.3175.323.2-32.3000108.8K214P212-K214 PolarHBondContact O-N 3.12Å; P212-K214 VanDerWaalsContact O-N 3.1Å
213K46.3Very low49.6Very low204 Ų204134.9 Ų134.989%0.88773%0.727SS**  trans-66.8109.8168.4-87-174.4173.4-178.40106.6R211 N215R211-K213 PolarHBondContact O-N 2.99Å; K213-N215 PolarHBondContact O-N 2.91Å
214K50.8Low49.6Very low184 Ų184133.8 Ų133.880%0.873%0.732SS**  trans-51124.6153.662.4178-171.6167.50107.3P212P212-K214 PolarHBondContact O-N 3.12Å; P212-K214 VanDerWaalsContact O-N 3.1Å
215N52.7Low49.8Very low157 Ų157138.3 Ų138.384%0.8475%0.746SS**  trans160.362.5162.9-84.67.7000108.2K213K213-N215 PolarHBondContact O-N 2.91Å
216S52.7Low49.4Very low115 Ų115139.3 Ų139.380%0.80474%0.74SS**  trans-155.465.3156.5-166.80000107.1
217I46.8Very low49.3Very low160 Ų160142.1 Ų142.182%0.82174%0.744SS**  trans-103.1109160.5-58.9175.7000103.1S219I217-S219 PolarHBondContact O-N 3.44Å
218P48.7Very low49.5Very low106 Ų106146.7 Ų146.769%0.68876%0.758SS**  trans-57.2134.6167.9-20.633.1000108.6
219S46.6Very low49.6Very low77 Ų77145.2 Ų145.254%0.53875%0.75SS.*  trans-62.9141178-1680000109.8I217 E221 Q222I217-S219 PolarHBondContact O-N 3.44Å; S219-E221 PolarHBondContact O-N 2.86Å; S219-Q222 PolarHBondContact O-N 3.23Å
220S54.5Low49.7Very low102 Ų102139.6 Ų139.671%0.71375%0.745SS**G310 helixtrans-65.5-7.6-174.2-1670000114.4
221E53.6Low49.9Very low153 Ų153143.7 Ų143.772%0.71575%0.752SS**G310 helixtrans-84.4-13.7-175.1-61.3-165.913100114.3S219 S224S219-E221 PolarHBondContact O-N 2.86Å; E221-S224 PolarHBondContact O-OG 2.98Å; E221-S224 VanDerWaalsContact O-OG 3.13Å
222Q46.5Very low49.9Very low154 Ų154138.9 Ų138.972%0.7275%0.749SS**G310 helixtrans-85.7-4.2177.4-74.9-173.5-103.900114.5S219S219-Q222 PolarHBondContact O-N 3.23Å
223L43.9Very low49.4Very low135 Ų135141.1 Ų141.171%0.70775%0.754SS**SBendtrans-89-20.2178.2-75.3169.2000113.4
224S51.5Low49.7Very low88 Ų88141.7 Ų141.762%0.61575%0.751SS**THydrogen-bonded Turntrans-79-14.2-178.538.80000115.1E221E221-S224 PolarHBondContact O-OG 2.98Å; E221-S224 VanDerWaalsContact O-OG 3.13Å
225E51.5Low49.3Very low157 Ų157141.9 Ų141.973%0.73476%0.755SS**THydrogen-bonded Turntrans-92.5-24.6-176.4-62-171.4142.700113.3
226Q47.5Very low48.8Very low147 Ų147139.2 Ų139.269%0.68775%0.748SS**THydrogen-bonded Turntrans-81.1-24.8-176-169.762.553.800113.7
227E50.3Low48.3Very low177 Ų177141.4 Ų141.483%0.82775%0.751SS**G310 helixtrans-81.8-11.1-179.6-68-158.7112.400114
228R50.5Low47.9Very low235 Ų235136.8 Ų136.889%0.88774%0.743SS**G310 helixtrans-87.4-6.3-177.4-164.3165-178.2-89-4114.7
229S48.9Very low47.5Very low94 Ų94137 Ų13766%0.65775%0.747SS**G310 helixtrans-111.611.6-179.168.20000114.5
230G50.2Low47.1Very low67 Ų67140.1 Ų140.169%0.69176%0.763SS**SBendtrans-97.3-13-175.600000116.3
231D48.2Very low46.4Very low148 Ų148140.4 Ų140.479%0.79177%0.765SS**SBendtrans-114.175.2-168.9-160.1-108.1000112
232V52.4Low46Very low136 Ų136138 Ų13882%0.82477%0.765SS**SBendtrans-142.3-32.8163.7-166.40000112.3R234V232-R234 PolarHBondContact O-N 3.48Å; V232-R234 VanDerWaalsContact O-N 3.12Å
233D43.5Very low46Very low167 Ų167138.9 Ų138.989%0.89377%0.769SS**  trans-9175-175-110.9-54.9000114.2
234R51.4Low46.1Very low216 Ų216137.2 Ų137.282%0.81577%0.768SS**  trans-123.1107.8156.7-94-178.5158.6179.8-3.6108V232V232-R234 PolarHBondContact O-N 3.48Å; V232-R234 VanDerWaalsContact O-N 3.12Å
235Q44.2Very low45.9Very low189 Ų189140.2 Ų140.288%0.88378%0.778SS**  trans158.692.4137.9-87.2160.6-15.600114.3
236S42.3Very low45.7Very low101 Ų101138.2 Ų138.271%0.70678%0.776SS**  trans161.4124.815652.50000106.6
237D42.2Very low45.7Very low161 Ų161138.4 Ų138.486%0.86178%0.782SS**  cis-146.5170.48.8-73.5-47.4000107.6
238G37.1Very low45.7Very low63 Ų63137.6 Ų137.665%0.64978%0.778SS**  cis121.758.113.700000112.5
239S40.9Very low45.6Very low110 Ų110135 Ų13577%0.76978%0.776SS**  trans82.3157.3152.4-49.50000121.4
240T38.5Very low45.4Very low142 Ų142143 Ų14387%0.87180%0.803SS**  trans75.3149164.6810000116.6
241S40Very low45.2Very low108 Ų108146.8 Ų146.876%0.75581%0.809SS**  cis-148.6154.4-6.7-170.30000110.2
242S44.7Very low45Very low104 Ų104146.7 Ų146.773%0.72781%0.81SS**  trans-65.1145155.1-58.50000110.3
243H47Very low44.6Very low171 Ų171147.3 Ų147.379%0.79281%0.809SS**  trans-160.1131.6135.9-124.9-87.4000111.4
244S45.6Very low44.7Very low100 Ų100146.1 Ų146.170%0.69980%0.804SS**  trans-79.7149.2159.149.20000109.3
245D46.1Very low44.3Very low151 Ų151141.8 Ų141.881%0.80780%0.803SS**  trans-150.8152.1139.8-117.7-44.1000114.3
246T47.7Very low44.3Very low116 Ų116138.6 Ų138.671%0.71280%0.798SS**  trans-97.9145.2176.5-60.10000108.1
247N48.8Very low44.4Very low150 Ų150141.3 Ų141.380%0.80280%0.804SS**  trans-136.2140.8163.4-144.140.6000112.7
248Q48.6Very low44.6Very low161 Ų161139.8 Ų139.875%0.75280%0.8SS**  trans-98.8-165.8174.9-67.4178.89.300109.9
249E50.3Low45.2Very low179 Ų179146.2 Ų146.284%0.83681%0.812SS**  trans76.6131177.4-56172105.500113.4
250E44.6Very low45.6Very low262 Ų262149.5 Ų149.5100%1.22482%0.816SS**  cis-139.806-170.1-177.4125.500110.5

Retrieved 250 of 250 residues in 124.6 ms (Link to these results)