A0A087XB99_POEFO Loading...

NK2 homeobox 2a

AlphaFold DB (A0A3B5PTF6), UniProt , Accession A0A087XB99, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 281 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
1M47.8Very low52.6Low241 Ų241142 Ų142100%1.18780%0.8SS**  0119.40-62.9171.7-177.100106.1
2S42.9Very low52.6Low126 Ų126139.6 Ų139.688%0.88179%0.791SS**  trans-135.8138.9-173.7-52.80000108.8
3L50.1Low52.8Low172 Ų172141.5 Ų141.590%0.90179%0.785SS**  trans-95.9162.3-158.9-70.4169.5000114.3
4T62.2Low53.6Low129 Ų129138.2 Ų138.279%0.79177%0.765SS**  trans-49.1143.3-179.651.50000114.7
5N41.4Very low54.4Low157 Ų157136.3 Ų136.384%0.8475%0.751SS**  trans-139.1138.2145.5-146.4-34.5000110.7K7N5-K7 PolarHBondContact O-N 3.43Å
6T48.4Very low54.4Low122 Ų122134.9 Ų134.975%0.74874%0.742SS**  trans-90.4102.6-16849.40000111T8T6-T8 PolarHBondContact O-N 2.9Å; T6-T8 VanDerWaalsContact O-N 3.16Å
7K55.7Low54.7Low203 Ų203137 Ų13788%0.88375%0.752SS**PPolyproline II helixtrans-63.6117.9175-171.8170.6-178.91790109.9N5 G9N5-K7 PolarHBondContact O-N 3.43Å; K7-G9 PolarHBondContact O-N 3.34Å
8T57.6Low54.5Low123 Ų123137 Ų13776%0.75575%0.75SS**PPolyproline II helixtrans-61.4118.817450.70000109.7T6T6-T8 PolarHBondContact O-N 2.9Å; T6-T8 VanDerWaalsContact O-N 3.16Å
9G60.9Low54.4Low72 Ų72135.7 Ų135.774%0.74275%0.749SS**SBendtrans-67.5147.7176.900000112.2K7K7-G9 PolarHBondContact O-N 3.34Å
10F50.6Low54.2Low170 Ų170136.3 Ų136.375%0.74675%0.751SS**  trans68.490-178.9-120.2-102.9000114.9I15F10-I15 HydrophobicContact CE1-CD1 3.95Å; F10-I15 HydrophobicContact CE1-CG1 4.04Å
11S60.7Low54Low47 Ų47135.5 Ų135.533%0.32975%0.75SS.*  trans-91.4150.3162-154.30000110.1K13 D14S11-K13 PolarHBondContact O-N 3.32Å; S11-K13 VanDerWaalsContact O-N 3.17Å; S11-D14 WeakPolarHBondContact CB-OD1 3.42Å; S11-D14 PolarHBondContact N-OD2 3.4Å; S11-D14 VanDerWaalsContact O-CB 3.31Å; S11-D14 WeakPolarHBondContact O-CB 3.43Å; S11-D14 VanDerWaalsContact O-CG 3.27Å; S11-D14 PolarHBondContact O-N 3.28Å
12V53.3Low54Low113 Ų113130.5 Ų130.569%0.68573%0.728SS**G310 helixtrans-62.5-23.4174.4179.70000111.6D14 I15V12-D14 PolarHBondContact O-N 3.01Å; V12-I15 WeakPolarHBondContact O-CB 3.47Å; V12-I15 PolarHBondContact O-N 2.78Å
13K55.2Low54Low164 Ų164131.8 Ų131.871%0.71373%0.725SS**G310 helixtrans-55.5-37.2171-51178.2-174.1-166.90112S11 I15 L16S11-K13 PolarHBondContact O-N 3.32Å; S11-K13 VanDerWaalsContact O-N 3.17Å; K13-I15 PolarHBondContact O-N 2.99Å; K13-L16 PolarHBondContact O-N 3.35Å
14D64.1Low54.3Low96 Ų96132.9 Ų132.951%0.51373%0.726SS.*G310 helixtrans-72.91.5-176.1-41.5-20.2000112.9S11 V12S11-D14 WeakPolarHBondContact CB-OD1 3.42Å; S11-D14 PolarHBondContact N-OD2 3.4Å; S11-D14 VanDerWaalsContact O-CB 3.31Å; S11-D14 WeakPolarHBondContact O-CB 3.43Å; S11-D14 VanDerWaalsContact O-CG 3.27Å; S11-D14 PolarHBondContact O-N 3.28Å; V12-D14 PolarHBondContact O-N 3.01Å
15I65.3Low53.2Low109 Ų109134.6 Ų134.656%0.55973%0.73SS**G310 helixtrans-108.1-19-179.2-55.3175.1000111.6F10 V12 K13F10-I15 HydrophobicContact CE1-CD1 3.95Å; F10-I15 HydrophobicContact CE1-CG1 4.04Å; V12-I15 WeakPolarHBondContact O-CB 3.47Å; V12-I15 PolarHBondContact O-N 2.78Å; K13-I15 PolarHBondContact O-N 2.99Å
16L54.8Low53Low114 Ų114130 Ų13060%0.59772%0.72SS**SBendtrans-125.398.9-179-69.1171.5000108K13 L18K13-L16 PolarHBondContact O-N 3.35Å; L16-L18 HydrophobicContact CB-CD1 4.31Å; L16-L18 HydrophobicContact CB-CG 4.44Å; L16-L18 PolarHBondContact O-N 3.41Å
17D58.4Low52.5Low171 Ų171129.8 Ų129.891%0.91472%0.723SS**  trans-63.378176.1-75.5-42.5000111.1
18L51.5Low51.4Low137 Ų137128 Ų12872%0.71772%0.722SS**  trans-101.6128.8171.4-69.5167000107.5L16 D20L16-L18 HydrophobicContact CB-CD1 4.31Å; L16-L18 HydrophobicContact CB-CG 4.44Å; L16-L18 PolarHBondContact O-N 3.41Å; L18-D20 PolarHBondContact O-N 3.44Å
19P52.8Low50.3Low113 Ų113128.8 Ų128.873%0.73473%0.726SS**  trans-65.5130177.427.2-33.4000110.4T21P19-T21 PolarHBondContact O-N 3.41Å
20D49.7Very low48.9Very low146 Ų146128.8 Ų128.878%0.78173%0.726SS**  trans-65.493.4176.1-94.6-38.4000110.9L18 N22L18-D20 PolarHBondContact O-N 3.44Å; D20-N22 PolarHBondContact O-N 2.89Å; D20-N22 VanDerWaalsContact O-N 3.1Å
21T49.5Very low48.3Very low120 Ų120125.3 Ų125.374%0.73673%0.729SS**  trans-76.787.2165.654.70000109.3P19P19-T21 PolarHBondContact O-N 3.41Å
22N48.1Very low47.4Very low137 Ų137131.9 Ų131.973%0.73376%0.755SS**  trans-84.2106.2167.1-67.6-87.3000108.7D20D20-N22 PolarHBondContact O-N 2.89Å; D20-N22 VanDerWaalsContact O-N 3.1Å
23D44.4Very low46.8Very low152 Ų152135.4 Ų135.481%0.81376%0.764SS**  trans-125.6137.6165.7-72.4-70.9000108.1
24E54.6Low46Very low196 Ų196134.5 Ų134.592%0.91677%0.767SS**  trans-107.6137.4-176.9-59.9-165.2154.100112.2
25D40.5Very low44.8Very low165 Ų165135.8 Ų135.888%0.88278%0.778SS**  trans-162.2172.1143.487-79.6000113.1
26G35.9Very low43.5Very low60 Ų60139.9 Ų139.962%0.61980%0.795SS**  trans65.193.8164.900000117.5
27S37.9Very low42.5Very low117 Ų117138.3 Ų138.382%0.81881%0.806SS**  50.2101.353-165.10000115.4
28I33.8Very low41.5Very low167 Ų167135.6 Ų135.686%0.85680%0.8SS**  -163.1158.3126.539.9168.3000112.6
29T33.4Very low40.6Very low139 Ų139137.2 Ų137.285%0.85380%0.804SS**  trans-71.8160.1-17751.90000116.9
30G31.6Very low39.7Very low71 Ų71138.2 Ų138.273%0.73281%0.808SS**  trans161.6140.1149.100000116.8
31A39.1Very low38.9Very low98 Ų98136 Ų13681%0.8181%0.811SS**  trans63.6126173.100000116.2
32E41.1Very low38.1Very low185 Ų185136.1 Ų136.186%0.86482%0.816SS**  cis71.2152.715.1-49.1-171-17300116.2
33E42.1Very low37.2Very low187 Ų187135.8 Ų135.887%0.87482%0.819SS**  trans70.9132.8-165.8-60.9-179176.500114.9
34D36.5Very low36.7Very low145 Ų145134.4 Ų134.478%0.77582%0.817SS**  cis-154.7-177.6-7.6-142.6-24.5000113.9
35T39.8Very low35.7Very low123 Ų123135.1 Ų135.176%0.75582%0.817SS**  trans-99.2168.2-157.8-52.10000115.7
36E38.4Very low35.4Very low194 Ų194135.7 Ų135.791%0.90782%0.82SS**  trans-59.5157.5-179.3-57.2176.295.700116.5
37G33.3Very low35.1Very low81 Ų81136.7 Ų136.784%0.83583%0.83SS**  trans-165.7142.616600000111.7
38S37.7Very low34.8Very low114 Ų114134.8 Ų134.880%0.79783%0.829SS**  trans-145.3-179.5-165.9-169.10000113.3
39E33.2Very low34.7Very low171 Ų171134.3 Ų134.380%0.79983%0.833SS**  trans72.7154.9165.4-53.2-161.4149.600117.3
40T33Very low34.9Very low134 Ų134134.1 Ų134.182%0.82283%0.826SS**  cis-151.3-178.6-19.120.60000109.2
41A34.1Very low35.1Very low100 Ų100137.3 Ų137.383%0.82683%0.831SS**  trans-109.7153.9-171.700000115.2
42S31.1Very low35.1Very low123 Ų123140.5 Ų140.586%0.8683%0.829SS**  trans-153.7174.4166.968.10000113
43T29.1Very low34.8Very low129 Ų129137.3 Ų137.379%0.79183%0.827SS**  trans-140.4159.6-143.2-630000114.8
44T34Very low35.4Very low123 Ų123134 Ų13476%0.75582%0.822SS**  trans-35.4153.4173.440.50000118.9
45K35.1Very low35.4Very low211 Ų211135.3 Ų135.392%0.91783%0.829SS**  trans-160.5161.7139.7-107.7150.3-171.4173.60112.7
46N33.7Very low35.7Very low178 Ų178138 Ų13895%0.95283%0.833SS**  trans-140.5158.9-171.9-105.9-22000111.2
47G30.2Very low36Very low81 Ų81136.4 Ų136.484%0.83583%0.83SS**  trans120.914516700000114.1
48G31.3Very low36.4Very low76 Ų76137.8 Ų137.878%0.78482%0.822SS**  cis141.6115.1-5.700000112.3
49V31.6Very low37Very low158 Ų158141 Ų14196%0.95882%0.824SS**  trans-137.1146.9178.1-179.10000111.1
50L37.9Very low37.8Very low134 Ų134140 Ų14070%0.70282%0.824SS**  trans-100.8142.3-166.2158.9150.4000113.2
51V35.7Very low37.9Very low138 Ų138139.9 Ų139.984%0.83682%0.818SS**  trans-144.7138.3143.9-1790000108.2
52Q38Very low38.8Very low165 Ų165140 Ų14077%0.77181%0.81SS**  trans-125.6140.6165.7-67.3-178.22.800109.4
53S35Very low39.4Very low118 Ų118141.5 Ų141.583%0.82581%0.808SS**  trans-165.6156.7155.9-85.70000110.4
54P55.7Low40.1Very low118 Ų118144.5 Ų144.577%0.76681%0.81SS**  trans-110.6154.6-152.939.1-32.7000115.4
55L36.2Very low40.5Very low173 Ų173144.9 Ų144.991%0.90681%0.808SS**  trans-154.4139.9138.9-145.978.2000110
56E44.9Very low41.5Very low180 Ų180141.1 Ų141.184%0.84181%0.805SS**  trans-85.9121.5173-63-166.8139.800110.7
57N45.5Very low42.1Very low159 Ų159141.6 Ų141.685%0.8580%0.799SS**  trans165.8102.1145.5-92.5-30000110.8
58V41.8Very low42.7Very low111 Ų111145.5 Ų145.567%0.67379%0.79SS**  -167.694.9121.4175.80000106.1L61V58-L61 HydrophobicContact CG1-CD1 4.13Å; V58-L61 HydrophobicContact CG1-CG 3.98Å
59Q50.8Low43.3Very low180 Ų180146.9 Ų146.984%0.84178%0.779SS**  trans-80.1133.8166.1-145167.411.100107.9
60N49Very low44.3Very low150 Ų150142.9 Ų142.980%0.80276%0.758SS**  trans7373.3-176.5-48.6-60.2000116.8
61L36Very low44.9Very low132 Ų132140.8 Ų140.869%0.69175%0.751SS**  trans-99.3114.1150.2-92.4163000109.3V58 L63V58-L61 HydrophobicContact CG1-CD1 4.13Å; V58-L61 HydrophobicContact CG1-CG 3.98Å; L61-L63 PolarHBondContact O-N 3.26Å
62P51.2Low45.4Very low102 Ų102140.1 Ų140.166%0.66274%0.743SS**  trans-69.4122.8171.128.1-32.1000109.3K64P62-K64 PolarHBondContact O-N 2.78Å
63L43.7Very low46.2Very low156 Ų156134.2 Ų134.282%0.81772%0.716SS**  trans-61.7101.1175.9-95.468.7000110L61 N65L61-L63 PolarHBondContact O-N 3.26Å; L63-N65 PolarHBondContact O-N 3.11Å
64K45.4Very low47.3Very low191 Ų191133.6 Ų133.683%0.8371%0.709SS**  trans-7390.1171.1-73-175.9175.8-178.60109.3P62 P66P62-K64 PolarHBondContact O-N 2.78Å; K64-P66 VanDerWaalsContact O-CD 3.28Å; K64-P66 WeakPolarHBondContact O-CD 3.28Å; K64-P66 VanDerWaalsContact O-N 3.09Å
65N42.5Very low46.9Very low131 Ų131130.6 Ų130.670%0.70168%0.683SS**  trans-53.7112.1168.1-73-16.3000109.1L63 F67L63-N65 PolarHBondContact O-N 3.11Å; N65-F67 PolarHBondContact O-N 3.29Å
66P55.3Low48Very low133 Ų133125.1 Ų125.186%0.86466%0.657SS**THydrogen-bonded Turntrans-79.826.7-16433.4-38.1000113.8K64K64-P66 VanDerWaalsContact O-CD 3.28Å; K64-P66 WeakPolarHBondContact O-CD 3.28Å; K64-P66 VanDerWaalsContact O-N 3.09Å
67F46.5Very low48.7Very low188 Ų188124.8 Ų124.883%0.82565%0.648SS**THydrogen-bonded Turntrans-144.30.1-170.3-158.6-108.8000116.4N65N65-F67 PolarHBondContact O-N 3.29Å
68Y42.5Very low49.6Very low163 Ų163122.8 Ų122.864%0.63963%0.628SS**  trans-151.575.2172.7-133.3-84000114.3S70 N73Y68-S70 PolarHBondContact O-N 3.45Å; Y68-N73 PolarHBondContact OH-ND2 3.15Å
69D44.5Very low50.4Low105 Ų105120.2 Ų120.256%0.56161%0.611SS**  trans-70.5118.8152.2-165.4-54.9000108T71D69-T71 PolarHBondContact O-N 3.41Å; D69-T71 WeakPolarHBondContact OD1-CA 3.44Å; D69-T71 WeakPolarHBondContact OD1-CB 3.42Å; D69-T71 PolarHBondContact OD1-N 2.65Å; D69-T71 PolarHBondContact OD1-OG1 2.81Å
70S51.5Low50.6Low73 Ų73115 Ų11551%0.5160%0.598SS.*SBendtrans-76-14.3-175.2-154.90000113Y68 T76Y68-S70 PolarHBondContact O-N 3.45Å; S70-T76 PolarHBondContact O-OG1 2.86Å
71T50.4Low51.1Low90 Ų90112.4 Ų112.455%0.55259%0.588SS**SBendtrans-92.9-32.5-173.770.70000113.8D69D69-T71 PolarHBondContact O-N 3.41Å; D69-T71 WeakPolarHBondContact OD1-CA 3.44Å; D69-T71 WeakPolarHBondContact OD1-CB 3.42Å; D69-T71 PolarHBondContact OD1-N 2.65Å; D69-T71 PolarHBondContact OD1-OG1 2.81Å
72D47.1Very low51.8Low125 Ų125107.7 Ų107.767%0.66857%0.565SS**SBendtrans-87.5-5.4179.8-100.7-29.6000114.6P74D72-P74 VanDerWaalsContact O-CD 3.26Å; D72-P74 WeakPolarHBondContact O-CD 3.5Å; D72-P74 VanDerWaalsContact O-N 3.13Å
73N54.7Low51.5Low41 Ų41107.4 Ų107.422%0.21956%0.558CS.*  trans-62.1116.4170.7-179.1-10000109.4Y68 Y75 T76 R77Y68-N73 PolarHBondContact OH-ND2 3.15Å; N73-Y75 PolarHBondContact O-N 3.4Å; N73-Y75 WeakPolarHBondContact OD1-CB 3.37Å; N73-Y75 PolarHBondContact OD1-N 3.49Å; N73-T76 WeakPolarHBondContact O-CB 3.48Å; N73-T76 PolarHBondContact O-N 2.92Å; N73-R77 PolarHBondContact O-N 3.39Å
74P58.5Low51.5Low104 Ų104104.1 Ų104.168%0.67555%0.548SS*.Hα-helixtrans-63.6-19.4-176.125.7-35000112.5D72 W78D72-P74 VanDerWaalsContact O-CD 3.26Å; D72-P74 WeakPolarHBondContact O-CD 3.5Å; D72-P74 VanDerWaalsContact O-N 3.13Å; P74-W78 WeakPolarHBondContact O-CB 3.35Å; P74-W78 PolarHBondContact O-N 3.47Å
75Y46.1Very low51.6Low56 Ų5699.4 Ų99.422%0.2253%0.531CS..Hα-helixtrans-70.8-35.4172.1-168.5-119.3000112.4N73 W78 L79 R157N73-Y75 PolarHBondContact O-N 3.4Å; N73-Y75 WeakPolarHBondContact OD1-CB 3.37Å; N73-Y75 PolarHBondContact OD1-N 3.49Å; Y75-W78 HydrophobicContact CE2-CE3 4.46Å; Y75-L79 HydrophobicContact CD1-CD1 3.93Å; Y75-L79 HydrophobicContact CE1-CD1 3.59Å; Y75-L79 HydrophobicContact CE1-CG 4.34Å; Y75-L79 HydrophobicContact CE2-CD1 4.44Å; Y75-L79 HydrophobicContact CE2-CG 4.34Å; Y75-L79 WeakPolarHBondContact O-CB 3.28Å; Y75-L79 VanDerWaalsContact O-CG 3.32Å; Y75-L79 WeakPolarHBondContact O-CG 3.38Å; Y75-L79 PolarHBondContact O-N 3.33Å; Y75-R157 HydrophobicContact CE1-CG 4.29Å
76T60.6Low51.9Low57 Ų5799.7 Ų99.735%0.3553%0.528SS..Hα-helixtrans-65.9-49.6175.8-53.30000110.5S70 N73 W78 L79 A80S70-T76 PolarHBondContact O-OG1 2.86Å; N73-T76 WeakPolarHBondContact O-CB 3.48Å; N73-T76 PolarHBondContact O-N 2.92Å; T76-W78 PolarHBondContact O-N 3.14Å; T76-L79 PolarHBondContact O-N 3.14Å; T76-A80 WeakPolarHBondContact O-CB 3.45Å; T76-A80 PolarHBondContact O-N 3.49Å
77R59.8Low51.3Low173 Ų173100.9 Ų100.965%0.65352%0.516SS*.Hα-helixtrans-60.9-43.9176.7-61.6-162.378.4103.61111.6N73 A80 T81N73-R77 PolarHBondContact O-N 3.39Å; R77-A80 PolarHBondContact O-N 3.4Å; R77-T81 PolarHBondContact O-N 3.37Å; R77-T81 VanDerWaalsContact O-N 3.11Å; R77-T81 PolarHBondContact O-OG1 3.46Å; R77-T81 VanDerWaalsContact O-OG1 3.14Å
78W63Low51.3Low117 Ų11795.3 Ų95.344%0.44350%0.501SS..Hα-helixtrans-63.8-44178.6-175.267.3000112.8P74 Y75 T76 A80 T81 T82P74-W78 WeakPolarHBondContact O-CB 3.35Å; P74-W78 PolarHBondContact O-N 3.47Å; Y75-W78 HydrophobicContact CE2-CE3 4.46Å; T76-W78 PolarHBondContact O-N 3.14Å; W78-A80 PolarHBondContact O-N 3.4Å; W78-T81 PolarHBondContact O-N 3.04Å; W78-T82 HydrophobicContact CD2-CG2 4.18Å; W78-T82 HydrophobicContact CH2-CG2 4.12Å; W78-T82 HydrophobicContact CZ2-CG2 3.55Å; W78-T82 PolarHBondContact O-N 2.9Å; W78-T82 VanDerWaalsContact O-N 3.09Å; W78-T82 PolarHBondContact O-OG1 3.42Å
79L59.4Low51.6Low58 Ų5893.9 Ų93.930%0.30450%0.503SS..Hα-helixtrans-59.6-46.4176.1-78177.8000111.4Y75 T76 T81 T82 D83Y75-L79 HydrophobicContact CD1-CD1 3.93Å; Y75-L79 HydrophobicContact CE1-CD1 3.59Å; Y75-L79 HydrophobicContact CE1-CG 4.34Å; Y75-L79 HydrophobicContact CE2-CD1 4.44Å; Y75-L79 HydrophobicContact CE2-CG 4.34Å; Y75-L79 WeakPolarHBondContact O-CB 3.28Å; Y75-L79 VanDerWaalsContact O-CG 3.32Å; Y75-L79 WeakPolarHBondContact O-CG 3.38Å; Y75-L79 PolarHBondContact O-N 3.33Å; T76-L79 PolarHBondContact O-N 3.14Å; L79-T81 VanDerWaalsContact C-N 3.31Å; L79-T81 PolarHBondContact O-N 3.08Å; L79-T82 WeakPolarHBondContact CA-OG1 3.47Å; L79-T82 PolarHBondContact O-N 3.4Å; L79-T82 PolarHBondContact O-OG1 2.99Å; L79-D83 PolarHBondContact O-N 2.98Å
80A55Low51.7Low70 Ų7097.3 Ų97.358%0.57951%0.514SS*.Hα-helixtrans-58.5-39177.900000112.8T76 R77 W78T76-A80 WeakPolarHBondContact O-CB 3.45Å; T76-A80 PolarHBondContact O-N 3.49Å; R77-A80 PolarHBondContact O-N 3.4Å; W78-A80 PolarHBondContact O-N 3.4Å
81T59.4Low51.8Low95 Ų9598.4 Ų98.458%0.58351%0.513SS*.Hα-helixtrans-68.4-31.4173.7-52.70000112.9R77 W78 L79R77-T81 PolarHBondContact O-N 3.37Å; R77-T81 VanDerWaalsContact O-N 3.11Å; R77-T81 PolarHBondContact O-OG1 3.46Å; R77-T81 VanDerWaalsContact O-OG1 3.14Å; W78-T81 PolarHBondContact O-N 3.04Å; L79-T81 VanDerWaalsContact C-N 3.31Å; L79-T81 PolarHBondContact O-N 3.08Å
82T50.1Low51.9Low34 Ų3499.8 Ų99.821%0.20952%0.523CS..Hα-helixtrans-86.6-26.2-178.953.40000115.7W78 L79 S84 I85 Q86W78-T82 HydrophobicContact CD2-CG2 4.18Å; W78-T82 HydrophobicContact CH2-CG2 4.12Å; W78-T82 HydrophobicContact CZ2-CG2 3.55Å; W78-T82 PolarHBondContact O-N 2.9Å; W78-T82 VanDerWaalsContact O-N 3.09Å; W78-T82 PolarHBondContact O-OG1 3.42Å; L79-T82 WeakPolarHBondContact CA-OG1 3.47Å; L79-T82 PolarHBondContact O-N 3.4Å; L79-T82 PolarHBondContact O-OG1 2.99Å; T82-S84 PolarHBondContact O-N 3.14Å; T82-I85 PolarHBondContact O-N 2.85Å; T82-I85 VanDerWaalsContact O-N 3.08Å; T82-Q86 PolarHBondContact O-N 3.15Å; T82-Q86 VanDerWaalsContact O-N 3.12Å
83D46.5Very low51.5Low95 Ų95102.8 Ų102.851%0.50853%0.531SS..Hα-helixtrans-60.3-47.9-175.5-160.9-105.6000111.1L79 I85 Q86 Y87L79-D83 PolarHBondContact O-N 2.98Å; D83-I85 PolarHBondContact O-N 3.39Å; D83-Q86 PolarHBondContact O-N 3.2Å; D83-Y87 WeakPolarHBondContact O-CD2 3.44Å; D83-Y87 PolarHBondContact O-N 3.45Å
84S43Very low51Low87 Ų87107.5 Ų107.561%0.60856%0.556SS**Hα-helixtrans-54.4-34.6173.2-175.90000113.9T82 S88T82-S84 PolarHBondContact O-N 3.14Å; S84-S88 PolarHBondContact O-N 3.33Å; S84-S88 PolarHBondContact O-OG 3.25Å
85I48.1Very low50.5Low92 Ų92108.5 Ų108.547%0.47256%0.56SS.*Hα-helixtrans-80.8-25.3-178.9-59.6178.2000111.9T82 D83 S88 L89T82-I85 PolarHBondContact O-N 2.85Å; T82-I85 VanDerWaalsContact O-N 3.08Å; D83-I85 PolarHBondContact O-N 3.39Å; I85-S88 PolarHBondContact O-OG 3.06Å; I85-L89 HydrophobicContact CG2-CD1 4.45Å
86Q47.6Very low50.4Low138 Ų138110.3 Ų110.365%0.64559%0.586SS**Hα-helixtrans-81.5-25.9176.6-66.3-62.8-95.100113.4T82 D83T82-Q86 PolarHBondContact O-N 3.15Å; T82-Q86 VanDerWaalsContact O-N 3.12Å; D83-Q86 PolarHBondContact O-N 3.2Å
87Y43.5Very low49.9Very low158 Ų158113 Ų11362%0.6260%0.602SS**Hα-helixtrans-81-34.5174.3-79.1-75.9000113.8D83 L91D83-Y87 WeakPolarHBondContact O-CD2 3.44Å; D83-Y87 PolarHBondContact O-N 3.45Å; Y87-L91 WeakPolarHBondContact O-CG 3.46Å
88S45.9Very low48.8Very low71 Ų71113.8 Ų113.850%0.49761%0.613SS.*Hα-helixtrans-69.6-37.4-176.257.90000114.2S84 I85 F90S84-S88 PolarHBondContact O-N 3.33Å; S84-S88 PolarHBondContact O-OG 3.25Å; I85-S88 PolarHBondContact O-OG 3.06Å; S88-F90 PolarHBondContact O-N 3.4Å
89L48.1Very low47.5Very low132 Ų132111.5 Ų111.569%0.69163%0.625SS**THydrogen-bonded Turntrans-76.51.2-175.6-66.6176000115.2I85I85-L89 HydrophobicContact CG2-CD1 4.45Å
90F47.2Very low46.4Very low178 Ų178117.2 Ų117.278%0.78166%0.655SS**THydrogen-bonded Turntrans-118.2-2.8178.8-110.6-87.5000114.8S88 P92S88-F90 PolarHBondContact O-N 3.4Å; F90-P92 VanDerWaalsContact C-CD 3.48Å
91L53.8Low45.3Very low95 Ų95119.8 Ų119.850%0.49767%0.669SS.*  trans-91.9-10.6-175.1-71.4173.5000118.8Y87 F93Y87-L91 WeakPolarHBondContact O-CG 3.46Å; L91-F93 PolarHBondContact O-N 3.12Å; L91-F93 VanDerWaalsContact O-N 3.15Å
92P51.5Low44.2Very low119 Ų119119.7 Ų119.777%0.77368%0.678SS**THydrogen-bonded Turntrans-73.5-6-178.230.9-35.2000114.5F90F90-P92 VanDerWaalsContact C-CD 3.48Å
93F39.9Very low43.3Very low189 Ų189123.1 Ų123.183%0.82970%0.703SS**THydrogen-bonded Turntrans-101.1-20.9-178.1-166.3-104.8000114.4L91L91-F93 PolarHBondContact O-N 3.12Å; L91-F93 VanDerWaalsContact O-N 3.15Å
94L43.7Very low42.8Very low140 Ų140123.3 Ų123.373%0.73371%0.712SS**THydrogen-bonded Turntrans-99.4-7.4-169.3-156.2117000114.6
95V47.6Very low42.5Very low125 Ų125127.8 Ų127.876%0.75872%0.723SS**SBendtrans-82.9-14.3-175.4-178.30000112.7V97V95-V97 PolarHBondContact O-N 3.18Å
96A45.7Very low41.8Very low94 Ų94130.1 Ų130.178%0.77774%0.737SS**SBendtrans-85.71.5-164.700000116.9
97V48.4Very low41.3Very low114 Ų114128.7 Ų128.769%0.69174%0.742SS**SBendtrans-123.8-31.9-164.3-166.60000115.2V95 G99V95-V97 PolarHBondContact O-N 3.18Å; V97-G99 PolarHBondContact O-N 3.08Å
98H37.7Very low41.3Very low189 Ų189126 Ų12688%0.87575%0.752SS**  trans-103.473.3-173.6-71175.7000113
99G36.2Very low40.8Very low68 Ų68131.8 Ų131.870%0.70177%0.769SS**  trans-113.584.3169.100000112.2V97V97-G99 PolarHBondContact O-N 3.08Å
100L34.6Very low40.4Very low178 Ų178129.6 Ų129.693%0.93277%0.765SS**  trans-169.3137.5151.2-129.369000109.9
101S33.7Very low40.3Very low125 Ų125126.7 Ų126.787%0.87476%0.763SS**  trans-150.8118.1172.8-179.10000109.1
102A34.6Very low39.6Very low92 Ų92130.6 Ų130.676%0.7678%0.779SS**  trans-157.8129.5178.700000112.4
103S31.8Very low39.9Very low107 Ų107129.9 Ų129.975%0.74878%0.775SS**  trans50.6110.2154.4-117.70000122.4
104S36.2Very low40Very low99 Ų99126.7 Ų126.769%0.69278%0.776SS**  69.5143.1108.8-51.80000124.1
105Q35.8Very low40.3Very low180 Ų180123.8 Ų123.884%0.84177%0.772SS**  trans80.4101.6147.3-78.3177.8-2100122.3
106D34Very low40.2Very low142 Ų142125 Ų12576%0.75977%0.774SS**  76.6150.3107.8-133.6-44.9000122.4
107S36.5Very low40.1Very low107 Ų107127.9 Ų127.975%0.74878%0.776SS**  trans75104.8151.8-74.50000121.4
108A44.6Very low40Very low102 Ų102130.8 Ų130.884%0.84378%0.782SS**  trans-35.9146.4167.400000119.5
109K35.2Very low40.4Very low192 Ų192126 Ų12684%0.83577%0.77SS**  trans-154.5135.9130.2-172.957.6176.4165.70112
110S38.8Very low41.4Very low87 Ų87128.7 Ų128.761%0.60878%0.775SS**  trans-109143.7159169.70000109.1
111P46.2Very low42.1Very low116 Ų116126.2 Ų126.275%0.75376%0.763SS**  -131.7-172.711838.6-29.2000113.2
112E39.6Very low43Very low178 Ų178127.2 Ų127.283%0.83276%0.759SS**  trans-106.7-170.8-164.1-118.8-150.5118.200113.3
113P57.7Low43.8Very low104 Ų104130.2 Ų130.268%0.67576%0.762SS**  trans-89.6177.2-15338.3-40.5000116.5
114S41.5Very low45Very low122 Ų122133.5 Ų133.585%0.85376%0.763SS**  trans-137.2162162.1-59.10000109.2
115A49.6Very low45.6Very low79 Ų79138.2 Ų138.265%0.65377%0.774SS**  trans-108.7-149.9-170.300000112.1
116D45.6Very low46.2Very low151 Ų151135.2 Ų135.281%0.80777%0.768SS**  trans70156162.4-34.4-45000116.8
117D44.6Very low47Very low154 Ų154134.4 Ų134.482%0.82477%0.774SS**  -150.2176.7-57.7-133.5175.9000106.6
118E44.8Very low47.3Very low174 Ų174134.4 Ų134.481%0.81377%0.774SS**  cis-143.8-154.29.2-156.8-159.4-34.100108.8
119S47.8Very low47.5Very low89 Ų89136 Ų13662%0.62278%0.778SS**  trans-114.6154.9165-167.80000109.6
120P56.6Low47.6Very low124 Ų124130.1 Ų130.181%0.80577%0.773SS**  -149156.9100.837.6-20.8000117.5
121D48.8Very low48.2Very low127 Ų127130 Ų13068%0.67979%0.785SS**  trans-21.8149.9155.5-140.4-67.6000119.8D123D121-D123 PolarHBondContact OD1-N 3.14Å
122N53.2Low48.3Very low146 Ų146129.2 Ų129.278%0.78178%0.782SS**  trans-161.771.5162.1-164.4-4.5000112.4K124N122-K124 PolarHBondContact O-N 3.46Å
123D50.6Low49Very low154 Ų154128.3 Ų128.382%0.82478%0.783SS**  trans-58.1121.1165.5-92.6-28.5000112.2D121D121-D123 PolarHBondContact OD1-N 3.14Å
124K57Low48.8Very low176 Ų176127.5 Ų127.577%0.76578%0.78SS**  trans-147.391.1165.6-166.3163.5-173.1168.60113.9N122N122-K124 PolarHBondContact O-N 3.46Å
125E50.2Low49.6Very low198 Ų198124.1 Ų124.193%0.92577%0.765SS**  trans-61.3138.1159.3-64.4-147.511700110.9
126T47.4Very low50.3Low117 Ų117130.4 Ų130.472%0.71878%0.777SS**  trans-146113.9160.8-176.20000110.3
127S50.5Low51.6Low126 Ų126132 Ų13288%0.88178%0.777SS**  trans-81.6118.8173.844.70000109.6
128S42.7Very low53.4Low107 Ų107135.4 Ų135.475%0.74878%0.778SS**  trans-136.3117.2166.958.40000110.2G130S128-G130 PolarHBondContact O-N 2.99Å
129S48.2Very low55.3Low134 Ų134136.5 Ų136.594%0.93778%0.78SS**  trans-71127.8175.2-171.30000109.5
130G38.8Very low57.3Low70 Ų70143.5 Ų143.572%0.72279%0.793SS**  trans-14475.8-174.500000111.1S128 S132S128-G130 PolarHBondContact O-N 2.99Å; G130-S132 PolarHBondContact O-N 3.09Å; G130-S132 VanDerWaalsContact O-N 3.15Å
131G50.9Low59Low85 Ų85147.9 Ų147.988%0.87679%0.793SS**  trans-62.8112.3179.600000112
132S47.7Very low61.1Low98 Ų98148 Ų14869%0.68580%0.799SS**  trans-123.9118.1170.7-175.30000109.3G130 S134G130-S132 PolarHBondContact O-N 3.09Å; G130-S132 VanDerWaalsContact O-N 3.15Å; S132-S134 PolarHBondContact O-N 3.34Å; S132-S134 PolarHBondContact O-OG 3.29Å
133D55.3Low63.1Low160 Ų160148.4 Ų148.486%0.85680%0.8SS**  trans-56.1115.8171.9171.741.5000109.2
134S52.3Low65.3Low87 Ų87144.3 Ų144.361%0.60878%0.775SS**  trans-120.357.8-172.839.60000110.1S132 K136S132-S134 PolarHBondContact O-N 3.34Å; S132-S134 PolarHBondContact O-OG 3.29Å; S134-K136 PolarHBondContact O-N 3.49Å
135G58.1Low67.2Low51 Ų51139 Ų13953%0.52676%0.76SS.*THydrogen-bonded Turntrans-30.5117.4170.800000112.6K137G135-K137 PolarHBondContact O-N 3.11Å
136K65.1Low69.5Low211 Ų211137.7 Ų137.792%0.91775%0.751SS**THydrogen-bonded Turntrans-42.584.1-155.3-65154.4-175.6170.80114.6S134 R138S134-K136 PolarHBondContact O-N 3.49Å; K136-R138 PolarHBondContact O-N 3.39Å; K136-R138 VanDerWaalsContact O-N 3.09Å
137K73.1Confident71.9Confident185 Ų185135.3 Ų135.380%0.80474%0.743SS**  trans-60.3111.1-176.3-78.9170.7-180165.40111.2G135 K139G135-K137 PolarHBondContact O-N 3.11Å; K137-K139 PolarHBondContact O-N 3.03Å
138R82.6Confident74.2Confident225 Ų225131.3 Ų131.385%0.84971%0.711SS**PPolyproline II helixtrans-57.3123-177.7-169.3175.178.4178.80.6110.6K136 R140K136-R138 PolarHBondContact O-N 3.39Å; K136-R138 VanDerWaalsContact O-N 3.09Å; R138-R140 PolarHBondContact O-N 2.91Å
139K84.2Confident76.8Confident197 Ų197127.7 Ų127.786%0.85768%0.684SS**PPolyproline II helixtrans-48.3127.7178.3-113.979.6173.5-175.90110.6K137 R141K137-K139 PolarHBondContact O-N 3.03Å; K139-R141 PolarHBondContact O-N 3.23Å
140R90.6Very high79.2Confident235 Ų235127.2 Ų127.289%0.88766%0.663SS**PPolyproline II helixtrans-61.9133.3175.9-174.3171.869.9-165.21.8109.1R138 V142R138-R140 PolarHBondContact O-N 2.91Å; R140-V142 PolarHBondContact O-N 2.92Å
141R91.9Very high82.1Confident216 Ų216126.4 Ų126.482%0.81564%0.64SS**PPolyproline II helixtrans-66132.4174.2-69.6-178.7177.1171.1-1.6109.3K139K139-R141 PolarHBondContact O-N 3.23Å
142V92.2Very high84.3Confident131 Ų131122.4 Ų122.479%0.79460%0.598SS**PPolyproline II helixtrans-94.9139.3171.3-179.30000108.2R140R140-V142 PolarHBondContact O-N 2.92Å
143L95Very high86.7Confident153 Ų153120.9 Ų120.980%0.80158%0.581SS**  trans-104.1152.1173.5-60.5178000109.5
144F97.4Very high88.8Confident69 Ų69118.5 Ų118.530%0.30356%0.56SS.*  trans-76.8150173.3-56.8-46.8000111Q148 L152 L176 Q180 W184F144-Q148 HydrophobicContact CB-CB 4.27Å; F144-L152 HydrophobicContact CD2-CD1 4.48Å; F144-L176 HydrophobicContact CD1-CD1 3.74Å; F144-L176 HydrophobicContact CD1-CD2 3.66Å; F144-L176 HydrophobicContact CD1-CG 4.39Å; F144-L176 HydrophobicContact CE1-CD1 3.75Å; F144-L176 HydrophobicContact CE1-CD2 3.64Å; F144-L176 HydrophobicContact CE1-CG 4.37Å; F144-L176 HydrophobicContact CG-CD1 4.17Å; F144-L176 HydrophobicContact CZ-CD1 4.18Å; F144-Q180 HydrophobicContact CE1-CB 4.37Å; F144-Q180 HydrophobicContact CE1-CG 4.37Å; F144-Q180 HydrophobicContact CZ-CB 4.06Å; F144-Q180 HydrophobicContact CZ-CG 4.28Å; F144-W184 AromaticContact CD2-CD1 3.87Å; F144-W184 HydrophobicContact CE2-CB 4.38Å; F144-W184 AromaticContact CE2-CD1 3.82Å; F144-W184 HydrophobicContact CE2-CG 4.46Å
145S98.2Very high91Very high65 Ų65118.3 Ų118.346%0.45555%0.546SS..  trans-62.3156.6173.9173.80000111.6A147 Q148 T149S145-A147 PolarHBondContact O-N 2.94Å; S145-A147 PolarHBondContact OG-N 3.45Å; S145-Q148 PolarHBondContact O-N 2.88Å; S145-T149 WeakPolarHBondContact O-CB 3.38Å; S145-T149 PolarHBondContact O-N 2.91Å; S145-T149 PolarHBondContact O-OG1 2.92Å
146K97.8Very high92.9Very high170 Ų170116 Ų11674%0.73952%0.521SS*.Hα-helixtrans-58.4-38173.5-177.162.1174.6178.50111.4T149 Y150K146-T149 PolarHBondContact O-N 3.26Å; K146-Y150 WeakPolarHBondContact O-CB 3.32Å; K146-Y150 PolarHBondContact O-N 3.38Å
147A97.8Very high94.4Very high66 Ų66112.1 Ų112.155%0.54550%0.501SS..Hα-helixtrans-66.7-44.5176.500000112.6S145 T149 Y150 E151S145-A147 PolarHBondContact O-N 2.94Å; S145-A147 PolarHBondContact OG-N 3.45Å; A147-T149 VanDerWaalsContact C-N 3.33Å; A147-T149 PolarHBondContact O-N 3.07Å; A147-Y150 PolarHBondContact O-N 3.5Å; A147-E151 PolarHBondContact O-N 2.87Å; A147-E151 VanDerWaalsContact O-N 3.11Å
148Q98.3Very high95.6Very high42 Ų42109 Ų10920%0.19649%0.489CS..Hα-helixtrans-61.2-43.2174.7-67.5175.3-43.800111.2F144 S145 L152 I174F144-Q148 HydrophobicContact CB-CB 4.27Å; S145-Q148 PolarHBondContact O-N 2.88Å; Q148-L152 WeakPolarHBondContact O-CB 3.38Å; Q148-L152 WeakPolarHBondContact O-CD1 3.46Å; Q148-L152 WeakPolarHBondContact O-CG 3.21Å; Q148-L152 PolarHBondContact O-N 3.03Å; Q148-L152 VanDerWaalsContact O-N 3.08Å; Q148-I174 HydrophobicContact CG-CB 4.37Å; Q148-I174 PolarHBondContact NE2-O 2.98Å
149T98.2Very high96.3Very high32 Ų32100.5 Ų100.520%0.19646%0.459CS..Hα-helixtrans-64.4-41.4177.7-53.90000111.4S145 K146 A147 L152 E153S145-T149 WeakPolarHBondContact O-CB 3.38Å; S145-T149 PolarHBondContact O-N 2.91Å; S145-T149 PolarHBondContact O-OG1 2.92Å; K146-T149 PolarHBondContact O-N 3.26Å; A147-T149 VanDerWaalsContact C-N 3.33Å; A147-T149 PolarHBondContact O-N 3.07Å; T149-L152 PolarHBondContact O-N 3.41Å; T149-E153 HydrophobicContact CG2-CG 4.45Å; T149-E153 WeakPolarHBondContact O-CB 3.26Å; T149-E153 WeakPolarHBondContact O-CG 3.4Å; T149-E153 PolarHBondContact O-N 3.12Å
150Y98.3Very high96.9Very high123 Ų12395.5 Ų95.548%0.48244%0.435SS..Hα-helixtrans-60.3-47.4176.8170.5-98.6000112.6K146 A147 E153 R154K146-Y150 WeakPolarHBondContact O-CB 3.32Å; K146-Y150 PolarHBondContact O-N 3.38Å; A147-Y150 PolarHBondContact O-N 3.5Å; Y150-E153 PolarHBondContact O-N 3.38Å; Y150-R154 VanDerWaalsContact O-CB 3.28Å; Y150-R154 WeakPolarHBondContact O-CB 3.33Å; Y150-R154 PolarHBondContact O-N 3.08Å
151E98.5Very high97.3Very high54 Ų5491.9 Ų91.925%0.25242%0.422SS..Hα-helixtrans-68.1-35.9178.2-75.8-58.6138.500112.5A147 E153 R154 R155 I174A147-E151 PolarHBondContact O-N 2.87Å; A147-E151 VanDerWaalsContact O-N 3.11Å; E151-E153 PolarHBondContact O-N 3.39Å; E151-R154 VanDerWaalsContact CD-NH1 3.27Å; E151-R154 PolarHBondContact O-N 3.39Å; E151-R154 WeakPolarHBondContact OE1-CD 3.47Å; E151-R154 IonicContact OE1-CZ 2.78Å; E151-R154 IonicContact OE1-NH1 3.39Å; E151-R154 PolarHBondContact OE1-NH1 3.03Å; E151-R154 WeakPolarHBondContact OE2-CD 3.21Å; E151-R154 IonicContact OE2-CZ 3.84Å; E151-R154 IonicContact OE2-NH1 3.01Å; E151-R154 PolarHBondContact OE2-NH1 3.21Å; E151-R155 PolarHBondContact O-N 2.87Å; E151-I174 HydrophobicContact CB-CG2 3.74Å; E151-I174 HydrophobicContact CG-CG2 4.35Å
152L98.6Very high97.6Very high0 Ų082.7 Ų82.70%039%0.389CS..Hα-helixtrans-60.1-43.8170.7-72.2164.8000111.7F144 Q148 T149 F156 L170 I174 L176 V181 W184 F185F144-L152 HydrophobicContact CD2-CD1 4.48Å; Q148-L152 WeakPolarHBondContact O-CB 3.38Å; Q148-L152 WeakPolarHBondContact O-CD1 3.46Å; Q148-L152 WeakPolarHBondContact O-CG 3.21Å; Q148-L152 PolarHBondContact O-N 3.03Å; Q148-L152 VanDerWaalsContact O-N 3.08Å; T149-L152 PolarHBondContact O-N 3.41Å; L152-F156 VanDerWaalsContact O-CB 3.24Å; L152-F156 WeakPolarHBondContact O-CB 3.37Å; L152-F156 PolarHBondContact O-N 3.35Å; L152-L170 HydrophobicContact CD2-CD2 4.18Å; L152-I174 HydrophobicContact CD1-CD1 4.13Å; L152-I174 HydrophobicContact CD2-CD1 3.63Å; L152-I174 HydrophobicContact CG-CD1 3.67Å; L152-L176 HydrophobicContact CD1-CD1 4.22Å; L152-V181 HydrophobicContact CD2-CG1 4.28Å; L152-V181 HydrophobicContact CD2-CG2 4.43Å; L152-W184 HydrophobicContact CB-CD2 3.91Å; L152-W184 HydrophobicContact CB-CE3 3.89Å; L152-W184 HydrophobicContact CB-CH2 3.7Å; L152-W184 HydrophobicContact CB-CZ2 3.73Å; L152-W184 HydrophobicContact CB-CZ3 3.8Å; L152-W184 HydrophobicContact CD1-CB 4.49Å; L152-W184 HydrophobicContact CD1-CD2 3.94Å; L152-W184 HydrophobicContact CD1-CG 3.87Å; L152-W184 HydrophobicContact CD2-CD2 4.28Å; L152-W184 HydrophobicContact CD2-CE3 4.15Å; L152-W184 HydrophobicContact CG-CD2 4.27Å; L152-W184 HydrophobicContact CG-CE3 4.43Å; L152-F185 HydrophobicContact CD2-CD2 4.35Å; L152-F185 HydrophobicContact CD2-CE2 3.84Å
153E98.3Very high97.8Very high66 Ų6679 Ų7931%0.30837%0.369SS..Hα-helixtrans-72.6-33.8177.5-70.2178.9155.100112.9T149 Y150 E151 R157 W184T149-E153 HydrophobicContact CG2-CG 4.45Å; T149-E153 WeakPolarHBondContact O-CB 3.26Å; T149-E153 WeakPolarHBondContact O-CG 3.4Å; T149-E153 PolarHBondContact O-N 3.12Å; Y150-E153 PolarHBondContact O-N 3.38Å; E151-E153 PolarHBondContact O-N 3.39Å; E153-R157 WeakPolarHBondContact O-CG 3.24Å; E153-R157 PolarHBondContact O-N 3.22Å; E153-R157 VanDerWaalsContact O-N 3.12Å; E153-R157 PolarHBondContact O-NE 2.94Å; E153-W184 HydrophobicContact CB-CH2 4.41Å; E153-W184 HydrophobicContact CG-CH2 3.6Å; E153-W184 HydrophobicContact CG-CZ2 3.57Å
154R98.4Very high98Very high110 Ų11073.9 Ų73.942%0.41535%0.349SS..Hα-helixtrans-62.8-50.3172.2-178.4178.8171.2-135.54.1111Y150 E151 R157Y150-R154 VanDerWaalsContact O-CB 3.28Å; Y150-R154 WeakPolarHBondContact O-CB 3.33Å; Y150-R154 PolarHBondContact O-N 3.08Å; E151-R154 VanDerWaalsContact CD-NH1 3.27Å; E151-R154 PolarHBondContact O-N 3.39Å; E151-R154 WeakPolarHBondContact OE1-CD 3.47Å; E151-R154 IonicContact OE1-CZ 2.78Å; E151-R154 IonicContact OE1-NH1 3.39Å; E151-R154 PolarHBondContact OE1-NH1 3.03Å; E151-R154 WeakPolarHBondContact OE2-CD 3.21Å; E151-R154 IonicContact OE2-CZ 3.84Å; E151-R154 IonicContact OE2-NH1 3.01Å; E151-R154 PolarHBondContact OE2-NH1 3.21Å; R154-R157 PolarHBondContact O-N 2.92Å
155R98.1Very high98Very high84 Ų8474.7 Ų74.732%0.31736%0.361SS..Hα-helixtrans-70.5-34.8177.2-171.956.3177.8-162.8-4112.3E151 R157 Q158 Q159 L162 E166 L170 F185E151-R155 PolarHBondContact O-N 2.87Å; R155-R157 VanDerWaalsContact C-N 3.32Å; R155-R157 PolarHBondContact O-N 3.17Å; R155-Q158 WeakPolarHBondContact O-CB 3.31Å; R155-Q158 PolarHBondContact O-N 2.78Å; R155-Q158 VanDerWaalsContact O-N 3.15Å; R155-Q159 PolarHBondContact O-N 3.03Å; R155-L162 HydrophobicContact CG-CD2 4.03Å; R155-E166 IonicContact NH2-OE1 3.76Å; R155-E166 PolarHBondContact NH2-OE1 3.15Å; R155-L170 HydrophobicContact CB-CD2 4.16Å; R155-L170 HydrophobicContact CG-CD2 4.19Å; R155-F185 HydrophobicContact CG-CZ 4.49Å
156F98.3Very high98Very high1 Ų174.3 Ų74.30%0.00435%0.352CS..Hα-helixtrans-62.1-36.6176.3-173.3-97.3000113.6L152 Q158 Q159 R160 W184 F185 H188 R189 M192L152-F156 VanDerWaalsContact O-CB 3.24Å; L152-F156 WeakPolarHBondContact O-CB 3.37Å; L152-F156 PolarHBondContact O-N 3.35Å; F156-Q158 VanDerWaalsContact C-N 3.32Å; F156-Q159 CarbonylContact O-C 3.46Å; F156-Q159 PolarHBondContact O-N 2.9Å; F156-R160 HydrophobicContact CE1-CG 4.03Å; F156-R160 HydrophobicContact CE2-CB 3.92Å; F156-R160 HydrophobicContact CE2-CG 4.05Å; F156-R160 HydrophobicContact CZ-CB 4.04Å; F156-R160 HydrophobicContact CZ-CG 3.72Å; F156-W184 HydrophobicContact CB-CH2 4.26Å; F156-W184 HydrophobicContact CB-CZ3 3.99Å; F156-W184 HydrophobicContact CD2-CZ3 4.39Å; F156-W184 HydrophobicContact CG-CZ3 4.32Å; F156-F185 HydrophobicContact CB-CE1 4.17Å; F156-F185 HydrophobicContact CB-CZ 4.26Å; F156-F185 AromaticContact CD2-CD1 3.73Å; F156-F185 HydrophobicContact CD2-CD1 3.73Å; F156-F185 AromaticContact CD2-CE1 3.71Å; F156-F185 HydrophobicContact CD2-CE1 3.71Å; F156-F185 HydrophobicContact CD2-CZ 4.49Å; F156-F185 HydrophobicContact CE2-CD1 4.34Å; F156-F185 HydrophobicContact CG-CE1 4.45Å; F156-H188 AromaticContact CD1-CD2 3.55Å; F156-H188 AromaticContact CD1-NE2 3.6Å; F156-H188 HydrophobicContact CD2-CB 4.5Å; F156-H188 AromaticContact CE1-CD2 3.25Å; F156-H188 WeakPolarHBondContact CE1-CD2 3.41Å; F156-H188 AromaticContact CE1-NE2 3.6Å; F156-H188 HydrophobicContact CE2-CB 4.36Å; F156-H188 AromaticContact CZ-CD2 3.6Å; F156-R189 HydrophobicContact CE2-CG 3.8Å; F156-R189 HydrophobicContact CZ-CG 4.03Å; F156-M192 HydrophobicContact CE1-SD 4.32Å
157R97.2Very high98.1Very high130 Ų13068.9 Ų68.949%0.49133%0.327SS..Hα-helixtrans-63-37.8174-77.5-177.5-70.9155.8-6.6112.5Y75 E153 R154 R155Y75-R157 HydrophobicContact CE1-CG 4.29Å; E153-R157 WeakPolarHBondContact O-CG 3.24Å; E153-R157 PolarHBondContact O-N 3.22Å; E153-R157 VanDerWaalsContact O-N 3.12Å; E153-R157 PolarHBondContact O-NE 2.94Å; R154-R157 PolarHBondContact O-N 2.92Å; R155-R157 VanDerWaalsContact C-N 3.32Å; R155-R157 PolarHBondContact O-N 3.17Å
158Q97.6Very high98.1Very high120 Ų12070.6 Ų70.656%0.56132%0.324SS*.Hα-helixtrans-71.8-42.5175-62.3170.2-5.900111.5R155 F156R155-Q158 WeakPolarHBondContact O-CB 3.31Å; R155-Q158 PolarHBondContact O-N 2.78Å; R155-Q158 VanDerWaalsContact O-N 3.15Å; F156-Q158 VanDerWaalsContact C-N 3.32Å
159Q97.5Very high98.1Very high47 Ų4774.6 Ų74.622%0.2234%0.342CS..  trans-151.6110.6-167.5-174-176.24.600110.9R155 F156 Y161 L162 E166 F185R155-Q159 PolarHBondContact O-N 3.03Å; F156-Q159 CarbonylContact O-C 3.46Å; F156-Q159 PolarHBondContact O-N 2.9Å; Q159-Y161 VanDerWaalsContact C-N 3.29Å; Q159-Y161 VanDerWaalsContact CG-O 3.3Å; Q159-Y161 WeakPolarHBondContact CG-O 3.32Å; Q159-Y161 PolarHBondContact NE2-O 2.62Å; Q159-Y161 PolarHBondContact O-N 3.03Å; Q159-L162 HydrophobicContact CB-CD2 4.26Å; Q159-L162 VanDerWaalsContact CD-CD2 3.43Å; Q159-L162 HydrophobicContact CG-CD2 3.97Å; Q159-L162 VanDerWaalsContact OE1-CD2 3.22Å; Q159-E166 VanDerWaalsContact CD-OE1 3.27Å; Q159-E166 PolarHBondContact NE2-OE1 3.42Å; Q159-E166 PolarHBondContact NE2-OE2 2.86Å; Q159-E166 PolarHBondContact OE1-OE1 2.94Å; Q159-F185 WeakPolarHBondContact O-CE1 3.48Å
160R97.1Very high98.1Very high91 Ų9173.6 Ų73.634%0.34334%0.336SS..SBendtrans-74.9-14.3-175.4-67.9-177165.596.2-0.2114.6F156 R189F156-R160 HydrophobicContact CE1-CG 4.03Å; F156-R160 HydrophobicContact CE2-CB 3.92Å; F156-R160 HydrophobicContact CE2-CG 4.05Å; F156-R160 HydrophobicContact CZ-CB 4.04Å; F156-R160 HydrophobicContact CZ-CG 3.72Å; R160-R189 WeakPolarHBondContact O-CD 2.99Å
161Y98Very high98.1Very high159 Ų15967.9 Ų67.962%0.62431%0.313SS*.SBendtrans-139.5115.2-175.4-62.9-111000108.8Q159Q159-Y161 VanDerWaalsContact C-N 3.29Å; Q159-Y161 VanDerWaalsContact CG-O 3.3Å; Q159-Y161 WeakPolarHBondContact CG-O 3.32Å; Q159-Y161 PolarHBondContact NE2-O 2.62Å; Q159-Y161 PolarHBondContact O-N 3.03Å
162L97.9Very high98.1Very high24 Ų2469.8 Ų69.813%0.12633%0.333CS..  trans-98.1139.5177.4-59.2-176.5000111R155 Q159 E166 R167 L170 V181 F185R155-L162 HydrophobicContact CG-CD2 4.03Å; Q159-L162 HydrophobicContact CB-CD2 4.26Å; Q159-L162 VanDerWaalsContact CD-CD2 3.43Å; Q159-L162 HydrophobicContact CG-CD2 3.97Å; Q159-L162 VanDerWaalsContact OE1-CD2 3.22Å; L162-E166 HydrophobicContact CB-CB 4.21Å; L162-E166 HydrophobicContact CD2-CB 4.31Å; L162-R167 HydrophobicContact CB-CG 3.56Å; L162-R167 HydrophobicContact CD1-CG 3.96Å; L162-R167 HydrophobicContact CG-CG 4.4Å; L162-L170 HydrophobicContact CD1-CD2 3.7Å; L162-V181 HydrophobicContact CD1-CG1 4.16Å; L162-F185 HydrophobicContact CD1-CD1 4.38Å; L162-F185 HydrophobicContact CD1-CD2 4.32Å; L162-F185 HydrophobicContact CD1-CE1 3.83Å; L162-F185 HydrophobicContact CD1-CE2 3.76Å; L162-F185 HydrophobicContact CD1-CZ 3.5Å; L162-F185 HydrophobicContact CD2-CE1 4.24Å; L162-F185 HydrophobicContact CD2-CZ 4.45Å; L162-F185 HydrophobicContact CG-CD1 4.09Å; L162-F185 HydrophobicContact CG-CE1 3.63Å; L162-F185 HydrophobicContact CG-CE2 4.46Å; L162-F185 HydrophobicContact CG-CZ 3.86Å
163S98.2Very high98.1Very high53 Ų5375.3 Ų75.337%0.37136%0.362SS..  trans-66.8-169.6170.165.70000112.4E166 R167S163-E166 VanDerWaalsContact CB-OE2 3.23Å; S163-E166 WeakPolarHBondContact CB-OE2 3.3Å; S163-E166 PolarHBondContact N-OE2 3.48Å; S163-E166 VanDerWaalsContact OG-CD 3.3Å; S163-E166 VanDerWaalsContact OG-CG 3.28Å; S163-E166 WeakPolarHBondContact OG-CG 3.48Å; S163-E166 PolarHBondContact OG-OE2 3.26Å; S163-R167 WeakPolarHBondContact O-CG 3.28Å; S163-R167 PolarHBondContact O-NE 3.23Å; S163-R167 PolarHBondContact O-NH2 3.42Å
164A98.1Very high98.1Very high45 Ų4572.9 Ų72.937%0.37235%0.351SS..Hα-helixtrans-68-61.4171.400000113.2E166 R167 E168A164-E166 VanDerWaalsContact C-N 3.29Å; A164-E166 PolarHBondContact O-N 3.01Å; A164-R167 WeakPolarHBondContact O-CB 3.23Å; A164-R167 PolarHBondContact O-N 3.36Å; A164-E168 PolarHBondContact O-N 2.91Å; A164-E168 VanDerWaalsContact O-N 3.17Å
165P98.1Very high98Very high87 Ų8778.4 Ų78.457%0.56537%0.372SS*.Hα-helixtrans-62.4-33.3-175.224-35.3000113.1R167 E168 H169P165-R167 VanDerWaalsContact C-N 3.32Å; P165-R167 PolarHBondContact O-N 3.28Å; P165-E168 PolarHBondContact O-N 3.38Å; P165-H169 PolarHBondContact O-N 3.02Å
166E98.3Very high98Very high57 Ų5775.7 Ų75.727%0.26636%0.363SS..Hα-helixtrans-66.4-32.7176-66.3171.9115.200112.9R155 Q159 L162 S163 A164 L170R155-E166 IonicContact NH2-OE1 3.76Å; R155-E166 PolarHBondContact NH2-OE1 3.15Å; Q159-E166 VanDerWaalsContact CD-OE1 3.27Å; Q159-E166 PolarHBondContact NE2-OE1 3.42Å; Q159-E166 PolarHBondContact NE2-OE2 2.86Å; Q159-E166 PolarHBondContact OE1-OE1 2.94Å; L162-E166 HydrophobicContact CB-CB 4.21Å; L162-E166 HydrophobicContact CD2-CB 4.31Å; S163-E166 VanDerWaalsContact CB-OE2 3.23Å; S163-E166 WeakPolarHBondContact CB-OE2 3.3Å; S163-E166 PolarHBondContact N-OE2 3.48Å; S163-E166 VanDerWaalsContact OG-CD 3.3Å; S163-E166 VanDerWaalsContact OG-CG 3.28Å; S163-E166 WeakPolarHBondContact OG-CG 3.48Å; S163-E166 PolarHBondContact OG-OE2 3.26Å; A164-E166 VanDerWaalsContact C-N 3.29Å; A164-E166 PolarHBondContact O-N 3.01Å; E166-L170 WeakPolarHBondContact O-CB 3.32Å; E166-L170 PolarHBondContact O-N 2.97Å; E166-L170 VanDerWaalsContact O-N 3.08Å
167R98.5Very high98Very high55 Ų5578.9 Ų78.921%0.20838%0.383CS..Hα-helixtrans-72.2-34.2173.7-76.2-177.6-72.1110.80.2111.6L162 S163 A164 P165 A171 P178 V181L162-R167 HydrophobicContact CB-CG 3.56Å; L162-R167 HydrophobicContact CD1-CG 3.96Å; L162-R167 HydrophobicContact CG-CG 4.4Å; S163-R167 WeakPolarHBondContact O-CG 3.28Å; S163-R167 PolarHBondContact O-NE 3.23Å; S163-R167 PolarHBondContact O-NH2 3.42Å; A164-R167 WeakPolarHBondContact O-CB 3.23Å; A164-R167 PolarHBondContact O-N 3.36Å; P165-R167 VanDerWaalsContact C-N 3.32Å; P165-R167 PolarHBondContact O-N 3.28Å; R167-A171 WeakPolarHBondContact O-CB 3.35Å; R167-A171 PolarHBondContact O-N 3.06Å; R167-P178 HydrophobicContact CB-CB 4.48Å; R167-V181 HydrophobicContact CB-CG1 4.39Å; R167-V181 HydrophobicContact CG-CG1 4Å
168E98.5Very high98.1Very high103 Ų10374.8 Ų74.848%0.48137%0.373SS..Hα-helixtrans-69.8-45.3176.6-73.9156-157.400111.7A164 P165 A171 S172 P178A164-E168 PolarHBondContact O-N 2.91Å; A164-E168 VanDerWaalsContact O-N 3.17Å; P165-E168 PolarHBondContact O-N 3.38Å; E168-A171 PolarHBondContact O-N 3.28Å; E168-S172 PolarHBondContact O-N 3.5Å; E168-S172 PolarHBondContact O-OG 2.97Å; E168-S172 VanDerWaalsContact O-OG 3.14Å; E168-P178 HydrophobicContact CG-CB 4.19Å; E168-P178 HydrophobicContact CG-CG 3.78Å
169H98.4Very high98.1Very high126 Ų12672.7 Ų72.758%0.58337%0.369SS*.Hα-helixtrans-59.9-50.1173.5-178.370.2000111.9P165 A171 S172 L173P165-H169 PolarHBondContact O-N 3.02Å; H169-A171 PolarHBondContact O-N 3.37Å; H169-S172 PolarHBondContact O-N 3.48Å; H169-L173 WeakPolarHBondContact O-CG 3.25Å; H169-L173 PolarHBondContact O-N 3.47Å; H169-L173 VanDerWaalsContact O-N 3.14Å
170L98.4Very high98.1Very high11 Ų1174 Ų746%0.05837%0.374CS..Hα-helixtrans-63.8-40.5178.5-177.960000112.3L152 R155 L162 E166 S172 L173 I174 V181 F185L152-L170 HydrophobicContact CD2-CD2 4.18Å; R155-L170 HydrophobicContact CB-CD2 4.16Å; R155-L170 HydrophobicContact CG-CD2 4.19Å; L162-L170 HydrophobicContact CD1-CD2 3.7Å; E166-L170 WeakPolarHBondContact O-CB 3.32Å; E166-L170 PolarHBondContact O-N 2.97Å; E166-L170 VanDerWaalsContact O-N 3.08Å; L170-S172 PolarHBondContact O-N 3.12Å; L170-L173 PolarHBondContact O-N 3.28Å; L170-I174 HydrophobicContact CD1-CD1 4.46Å; L170-I174 HydrophobicContact CD1-CG2 4.14Å; L170-I174 HydrophobicContact CG-CD1 4.25Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.42Å; L170-I174 VanDerWaalsContact O-N 3.14Å; L170-V181 HydrophobicContact CD2-CG1 4.06Å; L170-F185 HydrophobicContact CD2-CE2 3.98Å; L170-F185 HydrophobicContact CD2-CZ 4.23Å
171A98.5Very high98.2Very high2 Ų269.6 Ų69.62%0.01736%0.358CS..Hα-helixtrans-57.7-47176.800000111.9R167 E168 H169 I174 R175 L176 P178 V181R167-A171 WeakPolarHBondContact O-CB 3.35Å; R167-A171 PolarHBondContact O-N 3.06Å; E168-A171 PolarHBondContact O-N 3.28Å; H169-A171 PolarHBondContact O-N 3.37Å; A171-I174 PolarHBondContact O-N 3.47Å; A171-R175 WeakPolarHBondContact O-CA 3.01Å; A171-R175 PolarHBondContact O-N 3.48Å; A171-L176 CarbonylContact C-O 3.43Å; A171-L176 VanDerWaalsContact CB-O 3.31Å; A171-L176 WeakPolarHBondContact CB-O 3.39Å; A171-L176 PolarHBondContact O-N 2.85Å; A171-L176 VanDerWaalsContact O-O 3.14Å; A171-P178 HydrophobicContact CB-CB 4.47Å; A171-P178 HydrophobicContact CB-CG 3.92Å; A171-V181 HydrophobicContact CB-CG2 4Å
172S98.4Very high98.2Very high94 Ų9466.9 Ų66.966%0.65735%0.349SS*.Hα-helixtrans-60.6-46.2176.3-64.90000112.4E168 H169 L170 I174 R175E168-S172 PolarHBondContact O-N 3.5Å; E168-S172 PolarHBondContact O-OG 2.97Å; E168-S172 VanDerWaalsContact O-OG 3.14Å; H169-S172 PolarHBondContact O-N 3.48Å; L170-S172 PolarHBondContact O-N 3.12Å; S172-I174 PolarHBondContact O-N 3.46Å; S172-R175 PolarHBondContact O-N 3.47Å
173L97.9Very high98.2Very high116 Ų11669.6 Ų69.661%0.60736%0.363SS*.Hα-helixtrans-58.9-44.4178.9-72.3175.7000113H169 L170H169-L173 WeakPolarHBondContact O-CG 3.25Å; H169-L173 PolarHBondContact O-N 3.47Å; H169-L173 VanDerWaalsContact O-N 3.14Å; L170-L173 PolarHBondContact O-N 3.28Å
174I97.8Very high98.2Very high15 Ų1568.6 Ų68.68%0.07735%0.351CS..Hα-helixtrans-976.2-17573.7-172.6000113.6Q148 E151 L152 L170 A171 S172 L176 V181Q148-I174 HydrophobicContact CG-CB 4.37Å; Q148-I174 PolarHBondContact NE2-O 2.98Å; E151-I174 HydrophobicContact CB-CG2 3.74Å; E151-I174 HydrophobicContact CG-CG2 4.35Å; L152-I174 HydrophobicContact CD1-CD1 4.13Å; L152-I174 HydrophobicContact CD2-CD1 3.63Å; L152-I174 HydrophobicContact CG-CD1 3.67Å; L170-I174 HydrophobicContact CD1-CD1 4.46Å; L170-I174 HydrophobicContact CD1-CG2 4.14Å; L170-I174 HydrophobicContact CG-CD1 4.25Å; L170-I174 WeakPolarHBondContact O-CG1 3.46Å; L170-I174 PolarHBondContact O-N 3.42Å; L170-I174 VanDerWaalsContact O-N 3.14Å; A171-I174 PolarHBondContact O-N 3.47Å; S172-I174 PolarHBondContact O-N 3.46Å; I174-L176 VanDerWaalsContact C-N 3.34Å; I174-L176 HydrophobicContact CD1-CB 4.41Å; I174-L176 HydrophobicContact CD1-CD1 3.79Å; I174-L176 HydrophobicContact CD1-CG 4.25Å; I174-L176 HydrophobicContact CG1-CB 4.02Å; I174-L176 HydrophobicContact CG1-CD1 4.03Å; I174-L176 HydrophobicContact CG1-CG 3.93Å; I174-L176 PolarHBondContact O-N 3.3Å; I174-V181 HydrophobicContact CD1-CG2 4.32Å
175R98.3Very high98.3Very high227 Ų22766.7 Ų66.786%0.85734%0.335SS*.THydrogen-bonded Turntrans52.747.1-178.5-47.3-174.786.1-176.56.8112.9A171 S172A171-R175 WeakPolarHBondContact O-CA 3.01Å; A171-R175 PolarHBondContact O-N 3.48Å; S172-R175 PolarHBondContact O-N 3.47Å
176L97.8Very high98.3Very high26 Ų2667.8 Ų67.814%0.13633%0.332CS..  trans-118.7173.1170.5-68.1-176.9000109.9F144 L152 A171 I174 Q180F144-L176 HydrophobicContact CD1-CD1 3.74Å; F144-L176 HydrophobicContact CD1-CD2 3.66Å; F144-L176 HydrophobicContact CD1-CG 4.39Å; F144-L176 HydrophobicContact CE1-CD1 3.75Å; F144-L176 HydrophobicContact CE1-CD2 3.64Å; F144-L176 HydrophobicContact CE1-CG 4.37Å; F144-L176 HydrophobicContact CG-CD1 4.17Å; F144-L176 HydrophobicContact CZ-CD1 4.18Å; L152-L176 HydrophobicContact CD1-CD1 4.22Å; A171-L176 CarbonylContact C-O 3.43Å; A171-L176 VanDerWaalsContact CB-O 3.31Å; A171-L176 WeakPolarHBondContact CB-O 3.39Å; A171-L176 PolarHBondContact O-N 2.85Å; A171-L176 VanDerWaalsContact O-O 3.14Å; I174-L176 VanDerWaalsContact C-N 3.34Å; I174-L176 HydrophobicContact CD1-CB 4.41Å; I174-L176 HydrophobicContact CD1-CD1 3.79Å; I174-L176 HydrophobicContact CD1-CG 4.25Å; I174-L176 HydrophobicContact CG1-CB 4.02Å; I174-L176 HydrophobicContact CG1-CD1 4.03Å; I174-L176 HydrophobicContact CG1-CG 3.93Å; I174-L176 PolarHBondContact O-N 3.3Å; L176-Q180 HydrophobicContact CB-CB 4.33Å
177T98.4Very high98.2Very high68 Ų6870 Ų7042%0.41735%0.346SS..  trans-87.6151.9172.769.30000112.1T179 Q180 V181T177-T179 PolarHBondContact O-N 3.01Å; T177-Q180 WeakPolarHBondContact O-CB 3.46Å; T177-Q180 PolarHBondContact O-N 3.32Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.41Å; T177-Q180 PolarHBondContact OG1-N 2.87Å; T177-Q180 VanDerWaalsContact OG1-N 3.12Å; T177-Q180 PolarHBondContact OG1-OE1 3.47Å; T177-V181 PolarHBondContact O-N 2.84Å
178P98.1Very high98.2Very high44 Ų4468.6 Ų68.629%0.28634%0.342SS..Hα-helixtrans-57.2-24.7174.7-25.434.6000113.6R167 E168 A171 K182R167-P178 HydrophobicContact CB-CB 4.48Å; E168-P178 HydrophobicContact CG-CB 4.19Å; E168-P178 HydrophobicContact CG-CG 3.78Å; A171-P178 HydrophobicContact CB-CB 4.47Å; A171-P178 HydrophobicContact CB-CG 3.92Å; P178-K182 WeakPolarHBondContact O-CB 3.42Å; P178-K182 PolarHBondContact O-N 3.48Å
179T98.3Very high98.1Very high77 Ų7767.1 Ų67.147%0.47233%0.332SS..Hα-helixtrans-75.8-40.6173.4-65.60000112.5T177 V181 K182 I183T177-T179 PolarHBondContact O-N 3.01Å; T179-V181 VanDerWaalsContact C-N 3.34Å; T179-K182 WeakPolarHBondContact O-CB 3.37Å; T179-K182 PolarHBondContact O-N 2.97Å; T179-I183 HydrophobicContact CG2-CD1 3.93Å; T179-I183 VanDerWaalsContact O-CG1 3.3Å; T179-I183 WeakPolarHBondContact O-CG1 3.32Å; T179-I183 PolarHBondContact O-N 2.99Å
180Q98.1Very high98.1Very high73 Ų7367.1 Ų67.134%0.34133%0.327SS..Hα-helixtrans-61.8-42.7171.6-77.2166.6-30.500111.2F144 L176 T177 I183 W184F144-Q180 HydrophobicContact CE1-CB 4.37Å; F144-Q180 HydrophobicContact CE1-CG 4.37Å; F144-Q180 HydrophobicContact CZ-CB 4.06Å; F144-Q180 HydrophobicContact CZ-CG 4.28Å; L176-Q180 HydrophobicContact CB-CB 4.33Å; T177-Q180 WeakPolarHBondContact O-CB 3.46Å; T177-Q180 PolarHBondContact O-N 3.32Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.41Å; T177-Q180 PolarHBondContact OG1-N 2.87Å; T177-Q180 VanDerWaalsContact OG1-N 3.12Å; T177-Q180 PolarHBondContact OG1-OE1 3.47Å; Q180-I183 PolarHBondContact O-N 3.43Å; Q180-W184 WeakPolarHBondContact O-CB 3.38Å; Q180-W184 PolarHBondContact O-N 3.43Å
181V98.4Very high97.9Very high0 Ų072.6 Ų72.60%035%0.351CS..Hα-helixtrans-60.2-47.5173-179.60000110.7L152 L162 R167 L170 A171 I174 T177 T179 I183 W184 F185L152-V181 HydrophobicContact CD2-CG1 4.28Å; L152-V181 HydrophobicContact CD2-CG2 4.43Å; L162-V181 HydrophobicContact CD1-CG1 4.16Å; R167-V181 HydrophobicContact CB-CG1 4.39Å; R167-V181 HydrophobicContact CG-CG1 4Å; L170-V181 HydrophobicContact CD2-CG1 4.06Å; A171-V181 HydrophobicContact CB-CG2 4Å; I174-V181 HydrophobicContact CD1-CG2 4.32Å; T177-V181 PolarHBondContact O-N 2.84Å; T179-V181 VanDerWaalsContact C-N 3.34Å; V181-I183 PolarHBondContact O-N 3.33Å; V181-W184 PolarHBondContact O-N 3.25Å; V181-F185 HydrophobicContact CG1-CD2 3.8Å; V181-F185 HydrophobicContact CG1-CE2 3.92Å; V181-F185 WeakPolarHBondContact O-CD2 3.49Å; V181-F185 PolarHBondContact O-N 3.24Å
182K98.3Very high97.6Very high101 Ų10176.2 Ų76.244%0.43937%0.368SS..Hα-helixtrans-54.3-48.7176-172.3-177.974.5175.80112.2P178 T179 F185 Q186P178-K182 WeakPolarHBondContact O-CB 3.42Å; P178-K182 PolarHBondContact O-N 3.48Å; T179-K182 WeakPolarHBondContact O-CB 3.37Å; T179-K182 PolarHBondContact O-N 2.97Å; K182-F185 PolarHBondContact O-N 2.98Å; K182-Q186 WeakPolarHBondContact O-CB 3.43Å; K182-Q186 PolarHBondContact O-N 3.26Å
183I98.3Very high97.3Very high81 Ų8178.9 Ų78.942%0.41537%0.368SS..Hα-helixtrans-65.2-44.1-179.6-69165.5000110.9T179 Q180 V181 Q186 N187T179-I183 HydrophobicContact CG2-CD1 3.93Å; T179-I183 VanDerWaalsContact O-CG1 3.3Å; T179-I183 WeakPolarHBondContact O-CG1 3.32Å; T179-I183 PolarHBondContact O-N 2.99Å; Q180-I183 PolarHBondContact O-N 3.43Å; V181-I183 PolarHBondContact O-N 3.33Å; I183-Q186 PolarHBondContact O-N 3.07Å; I183-N187 WeakPolarHBondContact O-CB 3.45Å; I183-N187 VanDerWaalsContact O-CG 3.29Å; I183-N187 PolarHBondContact O-N 3.15Å; I183-N187 PolarHBondContact O-ND2 3.09Å
184W98.2Very high97Very high33 Ų3380.5 Ų80.513%0.12537%0.366CS..Hα-helixtrans-62.3-45.9177.8-171.4100.2000111.5F144 L152 E153 F156 Q180 V181 Q186 N187 H188F144-W184 AromaticContact CD2-CD1 3.87Å; F144-W184 HydrophobicContact CE2-CB 4.38Å; F144-W184 AromaticContact CE2-CD1 3.82Å; F144-W184 HydrophobicContact CE2-CG 4.46Å; L152-W184 HydrophobicContact CB-CD2 3.91Å; L152-W184 HydrophobicContact CB-CE3 3.89Å; L152-W184 HydrophobicContact CB-CH2 3.7Å; L152-W184 HydrophobicContact CB-CZ2 3.73Å; L152-W184 HydrophobicContact CB-CZ3 3.8Å; L152-W184 HydrophobicContact CD1-CB 4.49Å; L152-W184 HydrophobicContact CD1-CD2 3.94Å; L152-W184 HydrophobicContact CD1-CG 3.87Å; L152-W184 HydrophobicContact CD2-CD2 4.28Å; L152-W184 HydrophobicContact CD2-CE3 4.15Å; L152-W184 HydrophobicContact CG-CD2 4.27Å; L152-W184 HydrophobicContact CG-CE3 4.43Å; E153-W184 HydrophobicContact CB-CH2 4.41Å; E153-W184 HydrophobicContact CG-CH2 3.6Å; E153-W184 HydrophobicContact CG-CZ2 3.57Å; F156-W184 HydrophobicContact CB-CH2 4.26Å; F156-W184 HydrophobicContact CB-CZ3 3.99Å; F156-W184 HydrophobicContact CD2-CZ3 4.39Å; F156-W184 HydrophobicContact CG-CZ3 4.32Å; Q180-W184 WeakPolarHBondContact O-CB 3.38Å; Q180-W184 PolarHBondContact O-N 3.43Å; V181-W184 PolarHBondContact O-N 3.25Å; W184-Q186 VanDerWaalsContact C-N 3.29Å; W184-Q186 PolarHBondContact O-N 2.88Å; W184-N187 PolarHBondContact O-N 2.89Å; W184-H188 HydrophobicContact CE3-CB 4.15Å; W184-H188 HydrophobicContact CH2-CB 4.19Å; W184-H188 AromaticContact CH2-CE1 3.77Å; W184-H188 AromaticContact CH2-CG 3.83Å; W184-H188 AromaticContact CH2-ND1 3.01Å; W184-H188 WeakPolarHBondContact CH2-ND1 3.3Å; W184-H188 AromaticContact CZ2-ND1 3.35Å; W184-H188 WeakPolarHBondContact CZ2-ND1 3.47Å; W184-H188 HydrophobicContact CZ3-CB 3.92Å; W184-H188 AromaticContact CZ3-CG 3.98Å; W184-H188 AromaticContact CZ3-ND1 3.63Å; W184-H188 WeakPolarHBondContact O-CB 3.32Å; W184-H188 PolarHBondContact O-N 3.23Å
185F98.5Very high96.5Very high5 Ų581.7 Ų81.72%0.02238%0.378CS..Hα-helixtrans-64.6-30.9176.4-89.2-106.4000112.8L152 R155 F156 Q159 L162 L170 V181 K182 R189L152-F185 HydrophobicContact CD2-CD2 4.35Å; L152-F185 HydrophobicContact CD2-CE2 3.84Å; R155-F185 HydrophobicContact CG-CZ 4.49Å; F156-F185 HydrophobicContact CB-CE1 4.17Å; F156-F185 HydrophobicContact CB-CZ 4.26Å; F156-F185 AromaticContact CD2-CD1 3.73Å; F156-F185 HydrophobicContact CD2-CD1 3.73Å; F156-F185 AromaticContact CD2-CE1 3.71Å; F156-F185 HydrophobicContact CD2-CE1 3.71Å; F156-F185 HydrophobicContact CD2-CZ 4.49Å; F156-F185 HydrophobicContact CE2-CD1 4.34Å; F156-F185 HydrophobicContact CG-CE1 4.45Å; Q159-F185 WeakPolarHBondContact O-CE1 3.48Å; L162-F185 HydrophobicContact CD1-CD1 4.38Å; L162-F185 HydrophobicContact CD1-CD2 4.32Å; L162-F185 HydrophobicContact CD1-CE1 3.83Å; L162-F185 HydrophobicContact CD1-CE2 3.76Å; L162-F185 HydrophobicContact CD1-CZ 3.5Å; L162-F185 HydrophobicContact CD2-CE1 4.24Å; L162-F185 HydrophobicContact CD2-CZ 4.45Å; L162-F185 HydrophobicContact CG-CD1 4.09Å; L162-F185 HydrophobicContact CG-CE1 3.63Å; L162-F185 HydrophobicContact CG-CE2 4.46Å; L162-F185 HydrophobicContact CG-CZ 3.86Å; L170-F185 HydrophobicContact CD2-CE2 3.98Å; L170-F185 HydrophobicContact CD2-CZ 4.23Å; V181-F185 HydrophobicContact CG1-CD2 3.8Å; V181-F185 HydrophobicContact CG1-CE2 3.92Å; V181-F185 WeakPolarHBondContact O-CD2 3.49Å; V181-F185 PolarHBondContact O-N 3.24Å; K182-F185 PolarHBondContact O-N 2.98Å; F185-R189 WeakPolarHBondContact O-CG 3.36Å; F185-R189 PolarHBondContact O-N 2.98Å; F185-R189 PolarHBondContact O-NE 2.93Å
186Q98.2Very high95.6Very high110 Ų11081.1 Ų81.151%0.51438%0.376SS..Hα-helixtrans-69.7-47.8172.5-171.1170.86.200111.6K182 I183 W184 H188 R189 Y190K182-Q186 WeakPolarHBondContact O-CB 3.43Å; K182-Q186 PolarHBondContact O-N 3.26Å; I183-Q186 PolarHBondContact O-N 3.07Å; W184-Q186 VanDerWaalsContact C-N 3.29Å; W184-Q186 PolarHBondContact O-N 2.88Å; Q186-H188 PolarHBondContact O-N 3.5Å; Q186-R189 PolarHBondContact O-N 3.07Å; Q186-Y190 PolarHBondContact O-N 3.28Å
187N97.8Very high94.6Very high102 Ų10282.8 Ų82.855%0.54539%0.394SS..Hα-helixtrans-62.6-40.8177.3-71-17.7000112.2I183 W184 Y190 K191I183-N187 WeakPolarHBondContact O-CB 3.45Å; I183-N187 VanDerWaalsContact O-CG 3.29Å; I183-N187 PolarHBondContact O-N 3.15Å; I183-N187 PolarHBondContact O-ND2 3.09Å; W184-N187 PolarHBondContact O-N 2.89Å; N187-Y190 PolarHBondContact O-N 3.26Å; N187-K191 WeakPolarHBondContact O-CB 3.46Å; N187-K191 PolarHBondContact O-N 3.27Å
188H97.6Very high93.4Very high27 Ų2786.1 Ų86.113%0.12540%0.404CS..Hα-helixtrans-65.4-45.9178.6-158.5118.3000111.6F156 W184 Q186 Y190 K191 M192F156-H188 AromaticContact CD1-CD2 3.55Å; F156-H188 AromaticContact CD1-NE2 3.6Å; F156-H188 HydrophobicContact CD2-CB 4.5Å; F156-H188 AromaticContact CE1-CD2 3.25Å; F156-H188 WeakPolarHBondContact CE1-CD2 3.41Å; F156-H188 AromaticContact CE1-NE2 3.6Å; F156-H188 HydrophobicContact CE2-CB 4.36Å; F156-H188 AromaticContact CZ-CD2 3.6Å; W184-H188 HydrophobicContact CE3-CB 4.15Å; W184-H188 HydrophobicContact CH2-CB 4.19Å; W184-H188 AromaticContact CH2-CE1 3.77Å; W184-H188 AromaticContact CH2-CG 3.83Å; W184-H188 AromaticContact CH2-ND1 3.01Å; W184-H188 WeakPolarHBondContact CH2-ND1 3.3Å; W184-H188 AromaticContact CZ2-ND1 3.35Å; W184-H188 WeakPolarHBondContact CZ2-ND1 3.47Å; W184-H188 HydrophobicContact CZ3-CB 3.92Å; W184-H188 AromaticContact CZ3-CG 3.98Å; W184-H188 AromaticContact CZ3-ND1 3.63Å; W184-H188 WeakPolarHBondContact O-CB 3.32Å; W184-H188 PolarHBondContact O-N 3.23Å; Q186-H188 PolarHBondContact O-N 3.5Å; H188-Y190 VanDerWaalsContact C-N 3.33Å; H188-Y190 PolarHBondContact O-N 3.08Å; H188-K191 PolarHBondContact O-N 2.9Å; H188-M192 PolarHBondContact O-N 2.79Å
189R97.3Very high91.8Very high72 Ų7291 Ų9127%0.27242%0.421SS..Hα-helixtrans-58.7-42.7173-75176.7-70.2162.52.5111.9F156 R160 F185 Q186 M192 K193F156-R189 HydrophobicContact CE2-CG 3.8Å; F156-R189 HydrophobicContact CZ-CG 4.03Å; R160-R189 WeakPolarHBondContact O-CD 2.99Å; F185-R189 WeakPolarHBondContact O-CG 3.36Å; F185-R189 PolarHBondContact O-N 2.98Å; F185-R189 PolarHBondContact O-NE 2.93Å; Q186-R189 PolarHBondContact O-N 3.07Å; R189-M192 PolarHBondContact O-N 3.17Å; R189-K193 PolarHBondContact O-N 3.1Å
190Y97.3Very high89.9Confident125 Ų12590.4 Ų90.449%0.4943%0.43SS..Hα-helixtrans-65-44.5177.7-173.3-90.3000112.2Q186 N187 H188 M192 K193 R194Q186-Y190 PolarHBondContact O-N 3.28Å; N187-Y190 PolarHBondContact O-N 3.26Å; H188-Y190 VanDerWaalsContact C-N 3.33Å; H188-Y190 PolarHBondContact O-N 3.08Å; Y190-M192 PolarHBondContact O-N 3.21Å; Y190-K193 PolarHBondContact O-N 3.24Å; Y190-R194 WeakPolarHBondContact O-CB 3.48Å; Y190-R194 PolarHBondContact O-N 3.27Å; Y190-R194 PolarHBondContact OH-NH1 2.79Å; Y190-R194 VanDerWaalsContact OH-NH1 3.1Å
191K94.3Very high87.6Confident127 Ų12794 Ų9455%0.55245%0.449SS*.Hα-helixtrans-56.5-48.9174.5-172.7178.871169.70111.2N187 H188 K193 R194 A195N187-K191 WeakPolarHBondContact O-CB 3.46Å; N187-K191 PolarHBondContact O-N 3.27Å; H188-K191 PolarHBondContact O-N 2.9Å; K191-K193 PolarHBondContact O-N 3.27Å; K191-R194 PolarHBondContact O-N 3.16Å; K191-A195 WeakPolarHBondContact O-CB 3.42Å; K191-A195 PolarHBondContact O-N 3.43Å
192M91.6Very high85.4Confident78 Ų78102 Ų10238%0.38449%0.486SS..Hα-helixtrans-62.6-40.8178.8-165.6-172.877.800112.2F156 H188 R189 Y190 R196F156-M192 HydrophobicContact CE1-SD 4.32Å; H188-M192 PolarHBondContact O-N 2.79Å; R189-M192 PolarHBondContact O-N 3.17Å; Y190-M192 PolarHBondContact O-N 3.21Å; M192-R196 PolarHBondContact O-N 3.18Å
193K92.7Very high83Confident149 Ų149103.1 Ų103.165%0.64850%0.501SS*.Hα-helixtrans-64.3-45.2175-171.717673.5165.90111.8R189 Y190 K191 R196 A197R189-K193 PolarHBondContact O-N 3.1Å; Y190-K193 PolarHBondContact O-N 3.24Å; K191-K193 PolarHBondContact O-N 3.27Å; K193-R196 PolarHBondContact O-N 2.89Å; K193-A197 PolarHBondContact O-N 2.73Å
194R92.4Very high80.5Confident150 Ų150104.1 Ų104.157%0.56651%0.511SS*.Hα-helixtrans-65.2-44.1-177.2-168.1170.4-176.7116.52.6111.9Y190 K191 R196 A197 E198Y190-R194 WeakPolarHBondContact O-CB 3.48Å; Y190-R194 PolarHBondContact O-N 3.27Å; Y190-R194 PolarHBondContact OH-NH1 2.79Å; Y190-R194 VanDerWaalsContact OH-NH1 3.1Å; K191-R194 PolarHBondContact O-N 3.16Å; R194-R196 PolarHBondContact O-N 3.45Å; R194-A197 PolarHBondContact O-N 3.34Å; R194-A197 VanDerWaalsContact O-N 3.07Å; R194-E198 WeakPolarHBondContact O-CB 3.38Å; R194-E198 PolarHBondContact O-N 3.24Å
195A87.6Confident78.3Confident40 Ų40111.5 Ų111.533%0.33155%0.547SS..Hα-helixtrans-61-28.3176.300000113.6K191 K199K191-A195 WeakPolarHBondContact O-CB 3.42Å; K191-A195 PolarHBondContact O-N 3.43Å; A195-K199 WeakPolarHBondContact O-CB 3.5Å; A195-K199 WeakPolarHBondContact O-CG 3.31Å; A195-K199 PolarHBondContact O-N 2.98Å
196R78.3Confident75.9Confident215 Ų215117.9 Ų117.981%0.81158%0.58SS**Hα-helixtrans-75.4-34173.8-173.4173.7-179.9169.61.2112.8M192 K193 R194 G200M192-R196 PolarHBondContact O-N 3.18Å; K193-R196 PolarHBondContact O-N 2.89Å; R194-R196 PolarHBondContact O-N 3.45Å; R196-G200 PolarHBondContact O-N 3.06Å
197A77.6Confident73.6Confident62 Ų62118 Ų11851%0.51259%0.591SS.*Hα-helixtrans-72.4-41.5175.900000111.7K193 R194 G200K193-A197 PolarHBondContact O-N 2.73Å; R194-A197 PolarHBondContact O-N 3.34Å; R194-A197 VanDerWaalsContact O-N 3.07Å; A197-G200 PolarHBondContact O-N 3.04Å; A197-G200 VanDerWaalsContact O-N 3.08Å
198E72.7Confident71.2Confident137 Ų137117.6 Ų117.664%0.6460%0.596SS**Hα-helixtrans-63-43.2177.9-172.8167.7-155.700112.1R194 G200 M201R194-E198 WeakPolarHBondContact O-CB 3.38Å; R194-E198 PolarHBondContact O-N 3.24Å; E198-G200 PolarHBondContact O-N 3.17Å; E198-M201 PolarHBondContact O-N 2.95Å
199K65.1Low69.4Low147 Ų147122.7 Ų122.764%0.63963%0.631SS**THydrogen-bonded Turntrans-72.60.2172.9-68.9-174.5176.7-166.60114.9A195A195-K199 WeakPolarHBondContact O-CB 3.5Å; A195-K199 WeakPolarHBondContact O-CG 3.31Å; A195-K199 PolarHBondContact O-N 2.98Å
200G58.8Low67.3Low64 Ų64130.1 Ų130.166%0.6666%0.659SS**THydrogen-bonded Turntrans-89.10.7169.800000113.8R196 A197 E198R196-G200 PolarHBondContact O-N 3.06Å; A197-G200 PolarHBondContact O-N 3.04Å; A197-G200 VanDerWaalsContact O-N 3.08Å; E198-G200 PolarHBondContact O-N 3.17Å
201M49.9Very low65.3Low150 Ų150135.1 Ų135.174%0.73968%0.677SS**  trans-120.481.9-173.6-64.7-179.1174.500111.3E198E198-M201 PolarHBondContact O-N 2.95Å
202E50.7Low63.4Low168 Ų168135.4 Ų135.479%0.78569%0.689SS**SBendtrans-103.2-39.8167.5-162.7-85.9146.100110.7
203V48.8Very low61.8Low124 Ų124136 Ų13675%0.75271%0.706SS**SBendtrans-111.487.5174-170.70000112.2
204T45Very low60.2Low101 Ų101134.3 Ų134.362%0.6271%0.709SS**  trans174.1110.6135.1-69.90000108.4L206T204-L206 VanDerWaalsContact C-N 3.26Å; T204-L206 HydrophobicContact CG2-CD2 3.83Å; T204-L206 HydrophobicContact CG2-CG 3.93Å; T204-L206 PolarHBondContact O-N 3.01Å
205H51.5Low58.6Low188 Ų188132.1 Ų132.187%0.8771%0.714SS**  trans-73.378.3169.9-71-89.5000110.7
206L49.6Very low57.3Low139 Ų139136 Ų13673%0.72873%0.733SS**PPolyproline II helixtrans-60.8123.4168-69.7178.5000108.6T204 S208T204-L206 VanDerWaalsContact C-N 3.26Å; T204-L206 HydrophobicContact CG2-CD2 3.83Å; T204-L206 HydrophobicContact CG2-CG 3.93Å; T204-L206 PolarHBondContact O-N 3.01Å; L206-S208 PolarHBondContact O-N 2.97Å
207P50.2Low56.5Low113 Ų113133.7 Ų133.773%0.73474%0.736SS**PPolyproline II helixtrans-62.9138-17824.9-33.4000110.4P209P207-P209 WeakPolarHBondContact O-CD 3.5Å
208S47.5Very low55.7Low93 Ų93134.6 Ų134.665%0.6574%0.735SS**PPolyproline II helixtrans-48.6121.2-175.2-179.80000112L206 R210L206-S208 PolarHBondContact O-N 2.97Å; S208-R210 PolarHBondContact O-N 3.28Å
209P59.4Low54.8Low134 Ų134138.8 Ų138.887%0.8775%0.745SS**THydrogen-bonded Turntrans-66.627.2-177.5-25.135.9000116.6P207P207-P209 WeakPolarHBondContact O-CD 3.5Å
210R51.5Low54.2Low229 Ų229138.4 Ų138.486%0.86475%0.75SS**THydrogen-bonded Turntrans-14029.9-177.3-65-168-176.9-129.3-0114.6S208S208-R210 PolarHBondContact O-N 3.28Å
211R56.7Low53.9Low229 Ų229138.6 Ų138.686%0.86475%0.752SS**  trans-132.379.6157.6-61.2-164.192.5171.46110.4A213R211-A213 PolarHBondContact O-N 2.9Å
212V53.8Low54Low134 Ų134139.6 Ų139.681%0.81275%0.752SS**  trans-61.8107154177.20000105.7V214V212-V214 VanDerWaalsContact C-N 3.34Å; V212-V214 PolarHBondContact O-N 3.38Å
213A57.8Low53.8Low89 Ų89136.4 Ų136.474%0.73675%0.746SS**  trans-67.6100.316600000106.3R211 P215R211-A213 PolarHBondContact O-N 2.9Å; A213-P215 VanDerWaalsContact O-CD 3.27Å; A213-P215 WeakPolarHBondContact O-CD 3.42Å; A213-P215 VanDerWaalsContact O-N 3.11Å
214V59.1Low53.6Low115 Ų115135.5 Ų135.570%0.69774%0.744SS**  trans-56.9117.5170.3177.10000106.1V212 V216V212-V214 VanDerWaalsContact C-N 3.34Å; V212-V214 PolarHBondContact O-N 3.38Å; V214-V216 PolarHBondContact O-N 2.72Å
215P58.2Low53.8Low104 Ų104137.7 Ų137.768%0.67575%0.747SS**  trans-64.6110.5174.326.8-31.7000106.6A213 L217A213-P215 VanDerWaalsContact O-CD 3.27Å; A213-P215 WeakPolarHBondContact O-CD 3.42Å; A213-P215 VanDerWaalsContact O-N 3.11Å; P215-L217 PolarHBondContact O-N 2.83Å
216V62.1Low53.5Low121 Ų121135 Ų13573%0.73374%0.744SS**  trans-57.8114.5166.8176.10000105.3V214 V218V214-V216 PolarHBondContact O-N 2.72Å; V216-V218 HydrophobicContact CB-CG2 4.48Å; V216-V218 HydrophobicContact CG1-CG2 4.13Å; V216-V218 PolarHBondContact O-N 3.42Å
217L60Low53.5Low167 Ų167135.2 Ų135.287%0.87475%0.745SS**  trans-69.683.2174.3-76.9168.9000107.7P215 R219P215-L217 PolarHBondContact O-N 2.83Å; L217-R219 VanDerWaalsContact C-N 3.31Å; L217-R219 PolarHBondContact O-N 3.33Å
218V60.6Low53.5Low81 Ų81138 Ų13849%0.49175%0.745SS.*  trans-66.794175.3-175.40000107.4V216 D220V216-V218 HydrophobicContact CB-CG2 4.48Å; V216-V218 HydrophobicContact CG1-CG2 4.13Å; V216-V218 PolarHBondContact O-N 3.42Å; V218-D220 PolarHBondContact O-N 3.01Å
219R54.2Low53.5Low225 Ų225137.8 Ų137.885%0.84975%0.75SS**THydrogen-bonded Turntrans-61.9126.5157.3-141.2171.5-172.8145.22.3106.5L217L217-R219 VanDerWaalsContact C-N 3.31Å; L217-R219 PolarHBondContact O-N 3.33Å
220D52.2Low53.2Low138 Ų138139.6 Ų139.674%0.73875%0.747SS**THydrogen-bonded Turntrans68.740.6169.8-42.9-41.4000116.6V218 K222V218-D220 PolarHBondContact O-N 3.01Å; D220-K222 PolarHBondContact O-N 2.92Å
221G53Low53Low69 Ų69134.4 Ų134.471%0.71174%0.736SS**SBendtrans72.821.7133.500000119.6
222K52.1Low52.7Low171 Ų171130.1 Ų130.174%0.74373%0.729SS**  trans-127.2133.5175.3-65.6-177.9-177.4176.90112.6D220 C224D220-K222 PolarHBondContact O-N 2.92Å; K222-C224 PolarHBondContact O-N 3.11Å
223P45.7Very low52.4Low101 Ų101127.9 Ų127.966%0.65673%0.725SS**  trans-73.9111177.430.5-33.6000110.2H225P223-H225 PolarHBondContact O-CE1 3.1Å; P223-H225 PolarHBondContact O-N 3.03Å; P223-H225 PolarHBondContact O-ND1 2.94Å
224C44.9Very low51.9Low105 Ų105127.4 Ų127.471%0.70972%0.721SS**  trans-69.9126.1175.5-1750000110.5K222K222-C224 PolarHBondContact O-N 3.11Å
225H50.8Low51.3Low146 Ų146127.7 Ų127.768%0.67672%0.723SS**  trans-108.4118.7177.4-57.9-24.9000110.3P223 L227P223-H225 PolarHBondContact O-CE1 3.1Å; P223-H225 PolarHBondContact O-N 3.03Å; P223-H225 PolarHBondContact O-ND1 2.94Å; H225-L227 PolarHBondContact O-N 3.22Å
226T45.1Very low50.6Low133 Ų133131.9 Ų131.982%0.81673%0.731SS**  trans35.977.7160.457.60000116.5K228T226-K228 PolarHBondContact O-N 3.02Å
227L48.8Very low50Low142 Ų142135.2 Ų135.274%0.74374%0.739SS**  trans-59.4127.4165.1-66.1176000110H225H225-L227 PolarHBondContact O-N 3.22Å
228K49.4Very low49.1Very low171 Ų171130.9 Ų130.974%0.74373%0.727SS**  trans-85.2152.7169.6-72.9-177.5178.2176.70109.7T226 Q230T226-K228 PolarHBondContact O-N 3.02Å; K228-Q230 PolarHBondContact O-N 3.49Å
229A49.1Very low48.6Very low90 Ų90131.1 Ų131.174%0.74475%0.746SS**THydrogen-bonded Turntrans-71.421.4-168.600000116.2
230Q51.3Low48.3Very low172 Ų172127.2 Ų127.280%0.80474%0.741SS**THydrogen-bonded Turntrans-102.1-22.6-176.4-72.7176.5-51.200113.9K228K228-Q230 PolarHBondContact O-N 3.49Å
231D47.6Very low47.9Very low119 Ų119125.8 Ų125.864%0.63674%0.739SS**G310 helixtrans-79.2-13.1177.4-77.4-47.8000114.4A233 A234D231-A233 PolarHBondContact O-N 3.4Å; D231-A234 PolarHBondContact O-N 3.42Å
232L52Low47.1Very low139 Ų139132.9 Ų132.973%0.72875%0.751SS**G310 helixtrans-64.8-9.8-177.3-79.1168.7000114.5
233A45.9Very low46.7Very low88 Ų88129.9 Ų129.973%0.72775%0.751SS**G310 helixtrans-80.1-20.7177.200000114.1D231D231-A233 PolarHBondContact O-N 3.4Å
234A48.4Very low46.8Very low78 Ų78129.8 Ų129.865%0.64576%0.758SS**THydrogen-bonded Turntrans-83.4-29.5-172.500000114D231 F236D231-A234 PolarHBondContact O-N 3.42Å; A234-F236 PolarHBondContact O-N 2.96Å
235T46.1Very low46.5Very low121 Ų121135.1 Ų135.174%0.74277%0.765SS**THydrogen-bonded Turntrans-85.633.1-169.2-33.80000114.1
236F42.9Very low46Very low192 Ų192132.3 Ų132.384%0.84276%0.762SS**THydrogen-bonded Turntrans-106.20.5174.1-104.7-82.4000114.2A234A234-F236 PolarHBondContact O-N 2.96Å
237Q49.5Very low46Very low191 Ų191130.8 Ų130.889%0.89376%0.763SS**SBendtrans-122.554.1177.4-69.7-168.8-6.200113.5
238A42.1Very low45.9Very low77 Ų77133.1 Ų133.164%0.63677%0.77SS**  trans-151.6101161.800000110.5I240A238-I240 PolarHBondContact O-N 3.14Å
239G48.9Very low45.4Very low86 Ų86130.1 Ų130.189%0.88777%0.771SS**  trans-74.7116.7169.200000110
240I48.3Very low45.1Very low143 Ų143134.4 Ų134.473%0.73378%0.78SS**  trans-117.7123.3176.6-52.9-178.2000108.3A238A238-I240 PolarHBondContact O-N 3.14Å
241P43.3Very low44.8Very low108 Ų108134.3 Ų134.370%0.70178%0.78SS**  trans-74.4140.6-17629.6-34.6000112.3S243P241-S243 PolarHBondContact O-N 3.3Å; P241-S243 VanDerWaalsContact O-N 3.13Å
242F37Very low44.5Very low218 Ų218134.6 Ų134.696%0.95678%0.777SS**  trans-75.693.9169.8-103.8-94000110.5A244F242-A244 PolarHBondContact O-N 3.03Å
243S43.1Very low43.8Very low108 Ų108136.4 Ų136.476%0.75578%0.784SS**  trans-76105.4166.6-72.30000110.5P241 Y245P241-S243 PolarHBondContact O-N 3.3Å; P241-S243 VanDerWaalsContact O-N 3.13Å; S243-Y245 PolarHBondContact O-N 3.22Å
244A47.5Very low43.6Very low98 Ų98139.5 Ų139.581%0.8178%0.783SS**  trans-77.6112.1168.900000110.2F242F242-A244 PolarHBondContact O-N 3.03Å
245Y39.5Very low42.9Very low218 Ų218146.4 Ų146.486%0.85579%0.794SS**  trans-123.6100.2168.6-122-118000107.1S243S243-Y245 PolarHBondContact O-N 3.22Å
246S40.2Very low42.7Very low86 Ų86147.6 Ų147.660%0.60180%0.796SS**  85.4102.593.573.30000112Q248S246-Q248 PolarHBondContact O-N 3.22Å
247A46.3Very low42.2Very low102 Ų102142.3 Ų142.384%0.84379%0.788SS**  trans-76.8120.2172.200000110.3
248Q45.8Very low41.7Very low190 Ų190140.5 Ų140.589%0.88878%0.779SS**  trans-160.9157.2167.4-117.3167.563.300111.4S246S246-Q248 PolarHBondContact O-N 3.22Å
249S39.5Very low41.5Very low109 Ų109147.3 Ų147.376%0.76279%0.79SS**  trans63.489.7179.9-156.20000116.8
250L43Very low40.7Very low180 Ų180147.2 Ų147.294%0.94279%0.789SS**  trans-113.896.8140.6-168.991.3000107.5
251Q45Very low40.4Very low170 Ų170145.4 Ų145.479%0.79480%0.795SS**  trans-138.8155.9172.9-85.5-66.3-6.500109
252H39.2Very low40.3Very low125 Ų125145.1 Ų145.158%0.57980%0.802SS**  trans68.7100.9176.6-160.4-84.2000117Q254H252-Q254 PolarHBondContact NE2-OE1 2.78Å
253M38.3Very low40.4Very low177 Ų177139.6 Ų139.687%0.87280%0.797SS**  -138.6120.5124.5-111.9-64.7155.600107.6
254Q41.4Very low40.7Very low152 Ų152140.9 Ų140.971%0.7180%0.8SS**  trans-80.1133.7-173.2-78.7175.7-88.200112H252H252-Q254 PolarHBondContact NE2-OE1 2.78Å
255Y35Very low40.8Very low224 Ų224141.6 Ų141.688%0.87880%0.797SS**  trans-81.3127.6164.1-152.1-92.7000109A257Y255-A257 HydrophobicContact CD1-CB 4.24Å; Y255-A257 HydrophobicContact CE1-CB 4.01Å
256N40.1Very low40.8Very low145 Ų145140.1 Ų140.178%0.77580%0.797SS**  trans-120.1113.2175.4-177.815.4000109.8
257A33.6Very low40.9Very low81 Ų81144.7 Ų144.767%0.66981%0.807SS**  trans-154.2106.4173.200000109Y255Y255-A257 HydrophobicContact CD1-CB 4.24Å; Y255-A257 HydrophobicContact CE1-CB 4.01Å
258Q38.8Very low40.9Very low154 Ų154146 Ų14672%0.7281%0.806SS**  trans-125.1102.4-175.3-167.8164.6-6.300111.9
259Y37.5Very low41Very low220 Ų220142.5 Ų142.586%0.86380%0.798SS**  trans54.9116.2162.7-50-51.7000120.5
260G32.3Very low41.3Very low83 Ų83141.9 Ų141.986%0.85680%0.8SS**  trans-152.5144.1156.800000107.9
261A41.6Very low41.4Very low105 Ų105141.8 Ų141.887%0.86879%0.794SS**  trans-113.4164.4-161.900000115.3
262A42.7Very low41.6Very low103 Ų103141.4 Ų141.485%0.85179%0.792SS**  trans81.7159.5164.500000119.5
263A38.7Very low41.9Very low102 Ų102142.7 Ų142.784%0.84380%0.803SS**  trans69.1109.9174.900000118.9
264T48.2Very low42.3Very low135 Ų135139.3 Ų139.383%0.82879%0.792SS**  trans-80.1155.4150.452.60000109
265P49.9Very low42.6Very low113 Ų113139.4 Ų139.473%0.73479%0.792SS**  -135.1167.275.835-19000114.8
266Q40.8Very low43.3Very low186 Ų186134.4 Ų134.487%0.86979%0.785SS**  trans-83.4144.3176-68174.7-30.400112.2
267F41.1Very low43.3Very low183 Ų183134.1 Ų134.180%0.80378%0.779SS**  trans-131.6132.6154.9-74.9-82.9000108.9T269F267-T269 PolarHBondContact O-N 3.01Å
268P46.6Very low43.9Very low128 Ų128138.9 Ų138.983%0.83179%0.788SS**  trans-82.3103.5-179.230.9-32.8000111.7A270P268-A270 PolarHBondContact O-N 2.89Å
269T47.4Very low43.8Very low117 Ų117142 Ų14272%0.71879%0.793SS**  trans-70.3109.7170.6-60.80000110.4F267 H271F267-T269 PolarHBondContact O-N 3.01Å; T269-H271 PolarHBondContact O-N 3.41Å; T269-H271 VanDerWaalsContact O-N 3.14Å
270A45.7Very low44.5Very low97 Ų97137.9 Ų137.980%0.80279%0.791SS**  trans-70106.3176.500000111.4P268 H272P268-A270 PolarHBondContact O-N 2.89Å; A270-H272 PolarHBondContact O-N 3.22Å; A270-H272 VanDerWaalsContact O-N 3.11Å
271H46.1Very low45.4Very low177 Ų177149.3 Ų149.382%0.81981%0.809SS**  trans-71.3100.8169.2-87.1-103.3000110.3T269 L273T269-H271 PolarHBondContact O-N 3.41Å; T269-H271 VanDerWaalsContact O-N 3.14Å; H271-L273 PolarHBondContact O-N 3.35Å
272H48.8Very low45.6Very low162 Ų162151.6 Ų151.675%0.7581%0.806SS**  trans-69.199.9170.1179.5-79.5000110.1A270 V274A270-H272 PolarHBondContact O-N 3.22Å; A270-H272 VanDerWaalsContact O-N 3.11Å; H272-V274 WeakPolarHBondContact ND1-CG2 3.27Å; H272-V274 PolarHBondContact O-N 3.41Å
273L45.6Very low45.7Very low153 Ų153154.1 Ų154.180%0.80180%0.803SS**  trans-65.693.3177.3-171.579.8000110.5H271 Q275H271-L273 PolarHBondContact O-N 3.35Å; L273-Q275 VanDerWaalsContact C-N 3.33Å; L273-Q275 PolarHBondContact O-N 3.13Å
274V45.9Very low46.1Very low106 Ų106157 Ų15764%0.64280%0.801SS**  trans-70.891.1172.6-178.20000108.8H272 T276H272-V274 WeakPolarHBondContact ND1-CG2 3.27Å; H272-V274 PolarHBondContact O-N 3.41Å; V274-T276 HydrophobicContact CG1-CG2 4.47Å; V274-T276 PolarHBondContact O-N 3.29Å
275Q48.9Very low46Very low153 Ų153158.3 Ų158.372%0.71580%0.799SS**  trans-68.796.5174.9-167.1179.942.600109.4L273 Q277L273-Q275 VanDerWaalsContact C-N 3.33Å; L273-Q275 PolarHBondContact O-N 3.13Å; Q275-Q277 PolarHBondContact O-N 2.77Å
276T48.5Very low45.8Very low120 Ų120161.1 Ų161.174%0.73680%0.804SS**  trans-6994.3179.151.10000110.3V274 Q278V274-T276 HydrophobicContact CG1-CG2 4.47Å; V274-T276 PolarHBondContact O-N 3.29Å; T276-Q278 PolarHBondContact O-N 3.47Å
277Q41.8Very low46.1Very low138 Ų138159.5 Ų159.565%0.64580%0.799SS**  trans-65.3106.6175.4-68.3-168.626.600110.4Q275 W279Q275-Q277 PolarHBondContact O-N 2.77Å; Q277-W279 VanDerWaalsContact O-CD1 3.25Å
278Q44.9Very low46.4Very low181 Ų181157.8 Ų157.885%0.84680%0.799SS**  trans-76.5120.2174.558.1-1670.300110.1T276T276-Q278 PolarHBondContact O-N 3.47Å
279W36.5Very low46.4Very low219 Ų219160.1 Ų160.183%0.8380%0.796SS**  trans-93.2110.7178.8-66.281.8000110Q277Q277-W279 VanDerWaalsContact O-CD1 3.25Å
280T52.7Low46.4Very low134 Ų134163.7 Ų163.782%0.82280%0.803SS**  trans-82.6145.3168.250.70000110.5
281W50.9Low46.4Very low324 Ų324169.7 Ų169.7100%1.22780%0.803SS**  trans-88.10-175.4-74.184000113.7

Retrieved 281 of 281 residues in 88.4 ms (Link to these results)