A0A087X9K5_POEFO Loading...

Homeobox A7

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

AlphaFold DB , UniProt , Accession A0A087X9K5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 220 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
1M41.3Very low47.1Very low241 Ų241149.2 Ų149.2100%1.18780%0.803SS**  01440-72.4113.7120.700109
2S40.4Very low47Very low91 Ų91150.8 Ų150.864%0.63680%0.797SS**  trans26.7122.5178.2-73.60000119.9
3S46.8Very low46.4Very low108 Ų108148.2 Ų148.276%0.75580%0.799SS**  cis68.172.740-167.10000115.3
4Y52Low45.3Very low200 Ų200144.8 Ų144.878%0.78480%0.801SS**  trans-147.3130.3148.2-57.7-73.3000106
5Y54.9Low45.2Very low206 Ų206143.3 Ų143.381%0.80881%0.805SS**  cis-134.7160.1-2-123.9-85.5000109.4
6V48.5Very low45.2Very low126 Ų126139.1 Ų139.176%0.76480%0.803SS**  trans-123.9121.5158.5175.20000106
7D40.3Very low45Very low144 Ų144138.1 Ų138.177%0.7781%0.806SS**  trans-158.2148.1143.1-121.4-36.2000113.3
8S48.2Very low45.2Very low100 Ų100136.1 Ų136.170%0.69980%0.801SS**  trans-100.3-157.2176.1-66.90000109.7
9L49.5Very low45.1Very low161 Ų161137.3 Ų137.384%0.84380%0.803SS**  trans75114.6-177.4-40.2175.5000111.2
10L51.4Low45Very low129 Ų129140.2 Ų140.268%0.67581%0.806SS**  cis-145.8105.433.8-174.970.5000112.1K12L10-K12 HydrophobicContact CD1-CB 4.23Å; L10-K12 HydrophobicContact CD1-CD 4.21Å; L10-K12 HydrophobicContact CD2-CB 4.48Å; L10-K12 HydrophobicContact CG-CB 4.14Å
11C44.7Very low45.3Very low135 Ų135139.1 Ų139.191%0.91280%0.804SS**  trans-91.6113153.9-165.60000107.2
12K46.4Very low45.3Very low168 Ų168135.4 Ų135.473%0.7379%0.787SS**  trans-127.6106.2173.4-155.9102.783.9-173.50108.9L10L10-K12 HydrophobicContact CD1-CB 4.23Å; L10-K12 HydrophobicContact CD1-CD 4.21Å; L10-K12 HydrophobicContact CD2-CB 4.48Å; L10-K12 HydrophobicContact CG-CB 4.14Å
13S38.4Very low45.4Very low117 Ų117137.2 Ų137.282%0.81879%0.794SS**  trans-70.1128.4170.135.40000109.9
14A31.8Very low45.4Very low101 Ų101141.1 Ų141.184%0.83580%0.8SS**  trans-111.2114161.700000107.5
15S43.2Very low44.9Very low123 Ų123143.1 Ų143.186%0.8681%0.806SS**  trans-74156.5175.4-1710000110.6
16G45.3Very low43.8Very low75 Ų75137.8 Ų137.877%0.77381%0.805SS**  trans-57.1146.7-164.200000117
17S41.1Very low43.3Very low122 Ų122136.8 Ų136.885%0.85380%0.804SS**  trans-134.8110.2152.841.40000108.9
18S49.7Very low43.2Very low103 Ų103135.6 Ų135.672%0.7281%0.805SS**  trans-63.2157.3159.41800000109.5
19L42.2Very low42.6Very low159 Ų159133.8 Ų133.883%0.83280%0.802SS**  trans142.1113.6142.4-74.4162.6000111.2
20F44.8Very low42.2Very low195 Ų195134.7 Ų134.786%0.85581%0.806SS**  trans-77.1132.9165.3-63-97.8000109.7
21P49.7Very low41.6Very low118 Ų118131.6 Ų131.677%0.76681%0.806SS**  trans-80.7117.2151.731.5-27.3000107.7
22I42.1Very low42.5Very low162 Ų162132 Ų13283%0.83181%0.806SS**  63.5124.776.6-63.3179.6000112.2
23V43.1Very low41.8Very low130 Ų130127.8 Ų127.879%0.78881%0.811SS**  trans-93.9140.7-173.964.20000111.1
24E46.2Very low41.8Very low190 Ų190125.5 Ų125.589%0.88881%0.806SS**  trans-126.3171.4163-75.5-145.8130.600111.7
25R40.4Very low42.2Very low241 Ų241130.2 Ų130.291%0.90981%0.81SS**  trans-144.2151-138.6172.8-177.3174.5160.4-0.6112.9
26A33.9Very low41.9Very low95 Ų95131 Ų13179%0.78581%0.805SS**  trans74.4160.6171.800000115.5
27S36Very low41.7Very low105 Ų105138 Ų13873%0.73481%0.808SS**  cis-152.7177.111.9-154.10000114.2
28C38.9Very low41.9Very low118 Ų118142.8 Ų142.880%0.79781%0.808SS**  trans-24165.4173.955.10000121.6
29G36.5Very low41.5Very low62 Ų62144.7 Ų144.764%0.63982%0.815SS**  cis-160.4170.510.400000113.2
30I41.3Very low41.5Very low180 Ų180141.7 Ų141.792%0.92381%0.813SS**  54126.495.5-48.9169.8000112.7
31G37.4Very low41.8Very low65 Ų65136.8 Ų136.867%0.6781%0.808SS**  cis-174.3-168.910.300000111.6
32P63.7Low41.8Very low142 Ų142138.5 Ų138.592%0.92281%0.809SS**  trans-118.3174-15142.6-35.3000118.4
33G32.1Very low41.9Very low81 Ų81137.2 Ų137.284%0.83581%0.81SS**  trans145.4146.4165.100000111.8
34G38Very low42.2Very low68 Ų68140 Ų14070%0.70181%0.811SS**  cis170154.1-5.800000109.5
35E41.3Very low42.3Very low200 Ų200141.3 Ų141.394%0.93581%0.808SS**  trans68.4145.9165.5-63.2-178.8153.100117.6
36D36.9Very low43.2Very low139 Ų139135.8 Ų135.874%0.74380%0.803SS**  cis-162.7159.3-16.5-166.216.8000110.8
37R41.3Very low43.6Very low222 Ų222135.2 Ų135.284%0.83879%0.793SS**  trans127.192.5162.4-71.7-177.5169.3-175.2-2.6119
38R43.6Very low44.1Very low224 Ų224137.3 Ų137.385%0.84580%0.796SS**  42.6114124.8-56.2175.5-170-166.10.4119.5
39T41.8Very low44.5Very low143 Ų143137 Ų13788%0.87780%0.795SS**  -169.5152.1116.8-72.90000110.4
40A42.4Very low44.7Very low96 Ų96137.2 Ų137.279%0.79380%0.797SS**  trans-19.7144.1-177.200000120.6
41A50.6Low44.6Very low91 Ų91134.6 Ų134.675%0.75279%0.789SS**  trans-76.8126.4-175.800000114.9
42I50.1Low44.6Very low154 Ų154141.9 Ų141.979%0.7980%0.798SS**  trans-134.5105.3145-55.8179.3000106.8F44I42-F44 VanDerWaalsContact C-N 3.32Å; I42-F44 PolarHBondContact O-N 3.36Å
43T45.4Very low43.4Very low136 Ų136140.4 Ų140.483%0.83479%0.791SS**  trans-80.672.5-171-440000112.4
44F47.8Very low44Very low189 Ų189142.2 Ų142.283%0.82979%0.786SS**  trans-90.5107.4160.9-124.6-88.2000108.8I42 P46I42-F44 VanDerWaalsContact C-N 3.32Å; I42-F44 PolarHBondContact O-N 3.36Å; F44-P46 WeakPolarHBondContact O-CD 3.4Å
45R48.3Very low44Very low217 Ų217145.8 Ų145.882%0.81979%0.789SS**  trans-75.4114-179.5179.6-175.8-179.6-172.60.4110.2
46P59.6Low44.3Very low124 Ų124143.5 Ų143.581%0.80578%0.783SS**  trans-98.9113.5173.732-17.9000109.6F44F44-P46 WeakPolarHBondContact O-CD 3.4Å
47S42.8Very low44.4Very low83 Ų83141.3 Ų141.358%0.5878%0.784SS**  trans-168.6131.7175.1-179.30000109.9
48L46.8Very low44.5Very low150 Ų150134.7 Ų134.779%0.78578%0.777SS**  cis-153.1162.8-9.9-110.1172.2000107.9
49S46.2Very low44.5Very low111 Ų111135 Ų13578%0.77678%0.78SS**  trans-79.5144164.642.80000111.1
50G41Very low44.7Very low67 Ų67137 Ų13769%0.69178%0.779SS**  trans75.6153.8178.900000114
51V38.6Very low44.8Very low124 Ų124137.3 Ų137.375%0.75278%0.776SS**  cis-142.8153.82.2-74.90000109.7S53V51-S53 PolarHBondContact O-N 3.47Å
52Y38.8Very low44.4Very low218 Ų218140 Ų14086%0.85578%0.777SS**  trans-65127.9159.745-86.5000108.3
53S37.3Very low44.2Very low112 Ų112140.5 Ų140.578%0.78378%0.781SS**  trans-146.9149.5164.6-162.30000109.6V51V51-S53 PolarHBondContact O-N 3.47Å
54V44.5Very low44.4Very low119 Ų119139.6 Ų139.672%0.72178%0.777SS**  trans-118.8162.1-154.7-170.80000110.6
55N37.8Very low44.2Very low143 Ų143136.5 Ų136.577%0.76577%0.774SS**  trans8893170.6-66-26.9000119.2
56N47.9Very low43.7Very low152 Ų152136.3 Ų136.381%0.81378%0.779SS**  36.310699.3-168.525.6000118.6
57A39.8Very low42.7Very low92 Ų92136.4 Ų136.476%0.7678%0.778SS**  trans-157.6146.9145.600000109.7
58A42.4Very low42.8Very low84 Ų84136.9 Ų136.969%0.69478%0.781SS**  trans60.6113.8-169.700000114
59Y43.9Very low42.3Very low230 Ų230133 Ų13390%0.90278%0.777SS**  cis-120.5139.732-88.7-103.4000114.7
60Q46.9Very low42.3Very low184 Ų184137.8 Ų137.886%0.8678%0.78SS**  trans-66.2138151-62.9161.84.500108.4
61S43.5Very low42.2Very low103 Ų103138.2 Ų138.272%0.7278%0.783SS**  trans159.2142.8135.1-166.80000111.6
62L42.9Very low42.5Very low149 Ų149141 Ų14178%0.7879%0.793SS**  trans64.678.9162.6-66.4154.3000118.5P64L62-P64 WeakPolarHBondContact O-CD 3.33Å
63N45.8Very low42.2Very low163 Ų163133.8 Ų133.887%0.87279%0.785SS**  trans-91109.3139.2-75.9-40.4000108.6
64P49.2Very low42.3Very low117 Ų117140.1 Ų140.176%0.7679%0.792SS**  trans-75122.8159.829.5-29.7000109.3L62L62-P64 WeakPolarHBondContact O-CD 3.33Å
65V43.4Very low42Very low125 Ų125142 Ų14276%0.75880%0.798SS**  trans-62.7147.9175.7170.10000110.6T67V65-T67 PolarHBondContact O-N 2.7Å
66F39.6Very low42.2Very low212 Ų212142.9 Ų142.993%0.9380%0.801SS**  trans-60.599.7167.6-105-98.6000110.4
67T37.9Very low41.6Very low127 Ų127143.3 Ų143.378%0.77980%0.798SS**  trans-90.5105.5164.9-59.40000108.8V65 G69V65-T67 PolarHBondContact O-N 2.7Å; T67-G69 PolarHBondContact O-N 2.87Å
68S43.9Very low41.7Very low93 Ų93143.5 Ų143.565%0.6579%0.79SS**  trans-70117.8165.5-171.50000108.7
69G36.4Very low41.5Very low67 Ų67148.7 Ų148.769%0.69180%0.8SS**  trans-127.297-178.500000111T67T67-G69 PolarHBondContact O-N 2.87Å
70Y46.4Very low41.1Very low213 Ų213144.1 Ų144.184%0.83579%0.791SS**  trans-70.6121.3168.715.8-93.4000109.2
71G39Very low40.3Very low75 Ų75140.8 Ų140.877%0.77379%0.787SS**  trans-137.4123.9179.700000110.8
72L45.2Very low39.9Very low182 Ų182141.3 Ų141.395%0.95379%0.79SS**  trans-80.3138-172.1-74.8152.5000113.1
73G32.1Very low40Very low67 Ų67139.8 Ų139.869%0.69179%0.792SS**  trans73.3119.7130.100000119.9
74R40.1Very low40.3Very low246 Ų246138 Ų13893%0.92879%0.789SS**  -168.4117.7122.1-113.3172.3161174.3-6.7112.6
75D38.8Very low40Very low157 Ų157140.2 Ų140.284%0.8479%0.794SS**  trans-79.7134170.8-47.2-90.7000110.9
76I40.3Very low39.8Very low162 Ų162139.7 Ų139.783%0.83179%0.787SS**  trans-135.898.6156.8-61.9-174.6000109.5
77H36.5Very low39.9Very low162 Ų162137.8 Ų137.875%0.7578%0.781SS**  trans22.4112.7143.7-135.675.5000120.7
78T40.6Very low39.8Very low96 Ų96135.6 Ų135.659%0.58978%0.784SS**  trans3.7132.8133.4-32.30000119
79Q39.1Very low39.8Very low193 Ų193139.3 Ų139.390%0.90280%0.795SS**  trans-151.3113.3145.8-129.3153.684.700111.1
80D34.7Very low39.9Very low134 Ų134142.3 Ų142.372%0.71780%0.796SS**  trans-71.9156.5166.8-78.4-64.2000111.1
81C30.5Very low39.5Very low114 Ų114140.9 Ų140.977%0.7780%0.797SS**  161.8118.7114.5-89.10000113.1
82S36.3Very low39.4Very low113 Ų113140.5 Ų140.579%0.7979%0.793SS**  41.1125.2126.1-50.90000121.3
83S44.5Very low39.3Very low118 Ų118143.1 Ų143.183%0.82579%0.79SS**  trans-54.5160.1159.5-45.10000113.5
84P51.3Low39.8Very low126 Ų126147.8 Ų147.882%0.81880%0.798SS**  trans-114.1147.3136.3-020.4000113.1
85L43.9Very low40Very low162 Ų162140.8 Ų140.885%0.84878%0.782SS**  trans-59.2146.7163.3-178.469.1000111.2
86D38.1Very low40Very low115 Ų115138.8 Ų138.862%0.61578%0.781SS**  180143.7116.9-157.837000116
87Q41.8Very low39.8Very low171 Ų171138.7 Ų138.780%0.79978%0.777SS**  trans35.3133157.2-77.316161.100124.3
88G35.8Very low39.8Very low82 Ų82135.4 Ų135.485%0.84577%0.772SS**  trans165.7103.9159.800000113.2
89L45Very low39.7Very low170 Ų170135.3 Ų135.389%0.8978%0.775SS**  trans-85155.7174.7-103.2132000112.2
90D37.4Very low39.7Very low131 Ų131131.6 Ų131.670%0.70177%0.769SS**  trans91.8142.1149.2-110-41.8000122.8
91Q38.8Very low40.4Very low183 Ų183133.3 Ų133.386%0.85577%0.772SS**  trans68135.1161.7-62.817344.500121.4
92G36.8Very low41.2Very low67 Ų67133.9 Ų133.969%0.69177%0.774SS**  trans117.868.9150.800000117.7L94G92-L94 VanDerWaalsContact C-N 3.28Å; G92-L94 PolarHBondContact O-N 3.26Å
93R43.7Very low41.4Very low237 Ų237131.9 Ų131.989%0.89477%0.772SS**  trans-7079.7165.4-174.3-172.8-173.2-1096110.6
94L42.9Very low42Very low165 Ų165132.8 Ų132.886%0.86478%0.775SS**  trans-85.7126.6171.3-72.9178.9000111.5G92 S96G92-L94 VanDerWaalsContact C-N 3.28Å; G92-L94 PolarHBondContact O-N 3.26Å; L94-S96 PolarHBondContact O-N 3.26Å
95V44Very low41.8Very low98 Ų98130.2 Ų130.259%0.59477%0.771SS**  trans-71.3112.7174.6174.40000108.6E97V95-E97 VanDerWaalsContact C-N 3.29Å; V95-E97 HydrophobicContact CG1-CB 4.18Å; V95-E97 HydrophobicContact CG1-CG 3.82Å; V95-E97 WeakPolarHBondContact CG1-OE2 3.3Å; V95-E97 PolarHBondContact O-N 3.37Å
96S38.2Very low42.1Very low116 Ų116128.7 Ų128.781%0.81177%0.77SS**  trans-89.267.2171.7-163.30000110.7L94 S98L94-S96 PolarHBondContact O-N 3.26Å; S96-S98 VanDerWaalsContact C-N 3.34Å; S96-S98 PolarHBondContact O-N 3.09Å
97E36.6Very low43.1Very low159 Ų159130.7 Ų130.774%0.74378%0.78SS**  trans-81.886.9159.2-81.3179.2106.500107.9V95 C99V95-E97 VanDerWaalsContact C-N 3.29Å; V95-E97 HydrophobicContact CG1-CB 4.18Å; V95-E97 HydrophobicContact CG1-CG 3.82Å; V95-E97 WeakPolarHBondContact CG1-OE2 3.3Å; V95-E97 PolarHBondContact O-N 3.37Å; E97-C99 PolarHBondContact O-N 2.9Å
98S36.1Very low43.8Very low94 Ų94130.2 Ų130.266%0.65778%0.782SS**  trans-77.590.3176.2-165.90000110.3S96 C100S96-S98 VanDerWaalsContact C-N 3.34Å; S96-S98 PolarHBondContact O-N 3.09Å; S98-C100 VanDerWaalsContact C-N 3.32Å; S98-C100 PolarHBondContact O-N 3.29Å
99C38.9Very low44.1Very low94 Ų94131.8 Ų131.864%0.63578%0.78SS**  trans-71.779.1175.9-56.60000111.2E97 H101E97-C99 PolarHBondContact O-N 2.9Å; C99-H101 PolarHBondContact O-CD2 3.28Å; C99-H101 VanDerWaalsContact O-CD2 3.28Å; C99-H101 PolarHBondContact O-N 3Å
100C39.2Very low45Very low115 Ų115129.3 Ų129.378%0.77777%0.774SS**  trans-69.895174.4-72.20000111.4S98S98-C100 VanDerWaalsContact C-N 3.32Å; S98-C100 PolarHBondContact O-N 3.29Å
101H47.7Very low46Very low169 Ų169129 Ų12978%0.78278%0.779SS**  trans-61.4139.8172.7-66.7-92.7000112.2C99 G103C99-H101 PolarHBondContact O-CD2 3.28Å; C99-H101 VanDerWaalsContact O-CD2 3.28Å; C99-H101 PolarHBondContact O-N 3Å; H101-G103 PolarHBondContact O-N 2.95Å
102P48.3Very low46.4Very low126 Ų126127.4 Ų127.482%0.81878%0.777SS**  trans-82.3108.1165.331.7-30.1000110.5
103G39.8Very low47.2Very low72 Ų72133.2 Ų133.274%0.74278%0.783SS**  trans-79.9140.9170.700000112.4H101H101-G103 PolarHBondContact O-N 2.95Å
104P58.7Low47.9Very low137 Ų137130.1 Ų130.189%0.8978%0.778SS**  trans-96.7130.9179.834.2-31.7000114.3
105G45.5Very low48.8Very low71 Ų71131.7 Ų131.773%0.73277%0.774SS**  trans120.6167.116000000115.8
106P51Low50.1Low130 Ų130137.7 Ų137.784%0.84479%0.786SS**  cis-118.9-176.3-6.638.4-23.3000113.8
107L60Low51.9Low157 Ų157136.5 Ų136.582%0.82277%0.769SS**  trans-87.4159.8-175.5-81.4-85.1000113
108I54.8Low54.1Low161 Ų161135.7 Ų135.783%0.82676%0.76SS**  trans121.2103.8153.8-61.6158.3000114.8
109S42.3Very low56.3Low115 Ų115136.5 Ų136.580%0.80476%0.763SS**  176.6124.4126.539.30000112.1
110P63.8Low58.4Low118 Ų118141.7 Ų141.777%0.76677%0.77SS**  trans-117.9168.1153.138.4-29.1000110.7
111P58.1Low60.5Low125 Ų125140 Ų14081%0.81275%0.751SS**  cis-121.8139.7-8.236.1-21000112.6
112D48.8Very low62Low150 Ų150140.1 Ų140.180%0.80275%0.745SS**  trans-130.3148.1150-159.2-4.9000109.6Q114D112-Q114 PolarHBondContact O-N 3.34Å
113K53.8Low63.1Low188 Ų188138.8 Ų138.882%0.81774%0.744SS**  trans-78.344.2-175.1-61.7177.2-175.5173.50110.9Y115K113-Y115 VanDerWaalsContact C-N 3.28Å; K113-Y115 WeakPolarHBondContact O-CD2 3.42Å; K113-Y115 PolarHBondContact O-N 3.33Å
114Q57.8Low64.6Low173 Ų173138.2 Ų138.281%0.80873%0.729SS**  trans-6891174.1-164.5171.326.400107.9D112 R116D112-Q114 PolarHBondContact O-N 3.34Å; Q114-R116 PolarHBondContact O-N 2.94Å
115Y61Low65Low197 Ų197133.5 Ų133.577%0.77371%0.705SS**  trans-44.2106.5174.5-84.5-99.9000108.5K113 M117K113-Y115 VanDerWaalsContact C-N 3.28Å; K113-Y115 WeakPolarHBondContact O-CD2 3.42Å; K113-Y115 PolarHBondContact O-N 3.33Å; Y115-M117 PolarHBondContact O-N 3.3Å
116R71Confident65.9Low224 Ų224136.8 Ų136.885%0.84571%0.713SS**  trans-6688.6171-85.6-160.9174.5-146.11.7106.9Q114 Y118Q114-R116 PolarHBondContact O-N 2.94Å; R116-Y118 VanDerWaalsContact C-N 3.25Å; R116-Y118 WeakPolarHBondContact O-CD2 3.35Å; R116-Y118 WeakPolarHBondContact O-CE2 3.15Å; R116-Y118 PolarHBondContact O-N 3.12Å
117M77.3Confident66.2Low92 Ų92138.1 Ų138.145%0.45371%0.713SS.*  trans-6593.6171.7-74-65.5176.400107.6Y115 M121 R122Y115-M117 PolarHBondContact O-N 3.3Å; M117-M121 HydrophobicContact SD-CB 4.1Å; M117-M121 HydrophobicContact SD-CE 4.5Å; M117-R122 HydrophobicContact CB-CG 4.4Å; M117-R122 PolarHBondContact O-NE 2.96Å
118Y83Confident66.4Low141 Ų141139.2 Ų139.255%0.55371%0.707SS**  trans-49.6146.7176.4-66.6-105.7000108.7R116 W120 M121 R122R116-Y118 VanDerWaalsContact C-N 3.25Å; R116-Y118 WeakPolarHBondContact O-CD2 3.35Å; R116-Y118 WeakPolarHBondContact O-CE2 3.15Å; R116-Y118 PolarHBondContact O-N 3.12Å; Y118-W120 VanDerWaalsContact CB-NE1 3.31Å; Y118-W120 AromaticContact CG-NE1 3.83Å; Y118-W120 PolarHBondContact O-N 3.26Å; Y118-M121 HydrophobicContact CD2-CE 3.41Å; Y118-M121 VanDerWaalsContact CD2-CE 3.41Å; Y118-M121 HydrophobicContact CE2-CE 4.12Å; Y118-M121 HydrophobicContact CG-CE 4.28Å; Y118-M121 WeakPolarHBondContact O-CA 3.39Å; Y118-M121 PolarHBondContact O-N 2.99Å; Y118-R122 PolarHBondContact O-N 3.33Å
119P81.6Confident66.8Low112 Ų112140.7 Ų140.773%0.72771%0.707SS**THydrogen-bonded Turntrans-52.4-30.7-172.4-30.436.6000115
120W83.1Confident68.3Low202 Ų202146.6 Ų146.677%0.76571%0.712SS**THydrogen-bonded Turntrans-76.7-25.2175.863-95.1000114.7Y118Y118-W120 VanDerWaalsContact CB-NE1 3.31Å; Y118-W120 AromaticContact CG-NE1 3.83Å; Y118-W120 PolarHBondContact O-N 3.26Å
121M82.7Confident69.1Low79 Ų79144.6 Ų144.639%0.38971%0.712SS.*THydrogen-bonded Turntrans-84.5-10.2174.2-76.5-156.6-75.400113.6M117 Y118 A123M117-M121 HydrophobicContact SD-CB 4.1Å; M117-M121 HydrophobicContact SD-CE 4.5Å; Y118-M121 HydrophobicContact CD2-CE 3.41Å; Y118-M121 VanDerWaalsContact CD2-CE 3.41Å; Y118-M121 HydrophobicContact CE2-CE 4.12Å; Y118-M121 HydrophobicContact CG-CE 4.28Å; Y118-M121 WeakPolarHBondContact O-CA 3.39Å; Y118-M121 PolarHBondContact O-N 2.99Å; M121-A123 PolarHBondContact O-N 2.83Å
122R80.7Confident70.5Confident173 Ų173148.7 Ų148.765%0.65371%0.712SS**SBendtrans-63.3106.4178.6-67.6-174177.5-150.4-1.7109M117 Y118 S124M117-R122 HydrophobicContact CB-CG 4.4Å; M117-R122 PolarHBondContact O-NE 2.96Å; Y118-R122 PolarHBondContact O-N 3.33Å; R122-S124 VanDerWaalsContact C-N 3.33Å; R122-S124 PolarHBondContact O-N 3.19Å
123A71.3Confident72.6Confident98 Ų98148.4 Ų148.481%0.8171%0.705SS**  trans-53.6101.9173.200000108.1M121 G125M121-A123 PolarHBondContact O-N 2.83Å; A123-G125 PolarHBondContact O-N 2.71Å
124S70.7Confident74.6Confident60 Ų60145 Ų14542%0.4270%0.701SS.*  trans-56114.6175.9-760000106.9R122 R128R122-S124 VanDerWaalsContact C-N 3.33Å; R122-S124 PolarHBondContact O-N 3.19Å; S124-R128 PolarHBondContact OG-NH1 3.11Å
125G66.8Low76.5Confident37 Ų37139.7 Ų139.738%0.38167%0.674SS.*  trans-50.5161.1-161.600000114A123 N127 R128A123-G125 PolarHBondContact O-N 2.71Å; G125-N127 PolarHBondContact O-N 3.03Å; G125-R128 PolarHBondContact O-N 3.37Å
126P64Low78.3Confident140 Ų140133.5 Ų133.591%0.90966%0.659SS**G310 helixtrans-48.2-26.2-157.512-28.3000116.7
127N58Low79.6Confident158 Ų158132.2 Ų132.285%0.84565%0.654SS**G310 helixtrans-77.3-6.8175.6-155-5.9000115.7G125G125-N127 PolarHBondContact O-N 3.03Å
128R63.4Low80.6Confident181 Ų181133.1 Ų133.168%0.68366%0.657SS**G310 helixtrans-94.3-7.1-174.2-64.3-163.871.3-14614.5115.2S124 G125 R130S124-R128 PolarHBondContact OG-NH1 3.11Å; G125-R128 PolarHBondContact O-N 3.37Å; R128-R130 PolarHBondContact O-N 3.46Å
129K64.3Low81.4Confident192 Ų192128 Ų12884%0.83564%0.638SS**  trans-76.971.5171.1-74.6177.3177.8174.40110.6G131K129-G131 PolarHBondContact O-N 2.99Å
130R73.4Confident82.2Confident239 Ų239124.7 Ų124.790%0.90262%0.616SS**  trans-60.7108.6167.2-76.1-174.5174.9-170.1-2.4108.5R128 R132R128-R130 PolarHBondContact O-N 3.46Å; R130-R132 PolarHBondContact O-N 3.17Å
131G79.7Confident82.9Confident75 Ų75118.6 Ų118.677%0.77360%0.598SS**  trans-53.9133.9179.300000111K129 Q133K129-G131 PolarHBondContact O-N 2.99Å; G131-Q133 PolarHBondContact O-N 3.14Å
132R88.5Confident83.7Confident212 Ų212117.5 Ų117.580%0.859%0.592SS**  trans-80.6102.5-178.3-162.3-175.8-162.9-73.56.9108.9R130 T134R130-R132 PolarHBondContact O-N 3.17Å; R132-T134 PolarHBondContact O-N 2.81Å
133Q93Very high84.5Confident144 Ų144109.3 Ų109.367%0.67356%0.561SS**PPolyproline II helixtrans-61.3133.5173.5-167.7176.116.800110.3G131G131-Q133 PolarHBondContact O-N 3.14Å
134T95.8Very high85.8Confident117 Ų117107.9 Ų107.972%0.71854%0.538SS*.PPolyproline II helixtrans-88.7150.9169.848.60000109.8R132R132-T134 PolarHBondContact O-N 2.81Å
135Y98Very high87.1Confident61 Ų61110.6 Ų110.624%0.23954%0.542CS..PPolyproline II helixtrans-87.1147.9173-60.1-18.9000109.8L143 L167 Q171 W175Y135-L143 HydrophobicContact CD2-CD1 3.93Å; Y135-L143 HydrophobicContact CE2-CD1 4.15Å; Y135-L167 HydrophobicContact CD1-CD2 4.15Å; Y135-L167 HydrophobicContact CD2-CD1 4.47Å; Y135-L167 HydrophobicContact CE1-CD2 3.97Å; Y135-L167 HydrophobicContact CE2-CD1 4.35Å; Y135-Q171 WeakPolarHBondContact OH-CB 3.42Å; Y135-W175 AromaticContact CD2-CD1 3.86Å; Y135-W175 HydrophobicContact CE2-CB 4.22Å; Y135-W175 AromaticContact CE2-CD1 3.56Å; Y135-W175 HydrophobicContact CE2-CG 4.15Å
136S98.5Very high88.6Confident66 Ų66109.6 Ų109.646%0.46253%0.527SS..PPolyproline II helixtrans-61.8157.6173.5174.90000111.2H138 Q139 T140S136-H138 VanDerWaalsContact C-N 3.26Å; S136-H138 PolarHBondContact O-N 3.06Å; S136-H138 PolarHBondContact OG-N 3.35Å; S136-Q139 PolarHBondContact O-N 3.1Å; S136-T140 PolarHBondContact O-N 2.98Å; S136-T140 PolarHBondContact O-OG1 3.04Å
137R98.4Very high90.3Very high197 Ų197103.1 Ų103.174%0.74349%0.485SS*.Hα-helixtrans-54.9-43.8172.4-173.7176.5-176.5-90.5-2.2111.2T140 L141R137-T140 PolarHBondContact O-N 3.44Å; R137-L141 HydrophobicContact CG-CD1 4.07Å; R137-L141 WeakPolarHBondContact O-CG 3.41Å; R137-L141 PolarHBondContact O-N 3.4Å
138H98.4Very high92.2Very high111 Ų111101.4 Ų101.451%0.51447%0.471SS..Hα-helixtrans-61.9-48.2177.9173.360.2000112.2S136 T140 L141 E142S136-H138 VanDerWaalsContact C-N 3.26Å; S136-H138 PolarHBondContact O-N 3.06Å; S136-H138 PolarHBondContact OG-N 3.35Å; H138-T140 VanDerWaalsContact C-N 3.28Å; H138-T140 PolarHBondContact O-N 3.44Å; H138-L141 PolarHBondContact O-N 3.19Å; H138-E142 PolarHBondContact O-N 3.04Å; H138-E142 VanDerWaalsContact O-N 3.09Å
139Q98.6Very high93.8Very high35 Ų35101 Ų10116%0.16448%0.475CS..Hα-helixtrans-58-41.1176.3-68.9174.7-39.900111.8S136 L143 L165S136-Q139 PolarHBondContact O-N 3.1Å; Q139-L143 WeakPolarHBondContact O-CB 3.33Å; Q139-L143 WeakPolarHBondContact O-CD1 3.48Å; Q139-L143 WeakPolarHBondContact O-CG 3.46Å; Q139-L143 PolarHBondContact O-N 3.45Å; Q139-L143 VanDerWaalsContact O-N 3.12Å; Q139-L165 HydrophobicContact CG-CB 4.32Å; Q139-L165 PolarHBondContact NE2-O 2.69Å
140T98.4Very high95.4Very high42 Ų4295.1 Ų95.126%0.25845%0.453SS..Hα-helixtrans-67.2-43.5179.9-53.60000111.8S136 R137 H138 L143 E144S136-T140 PolarHBondContact O-N 2.98Å; S136-T140 PolarHBondContact O-OG1 3.04Å; R137-T140 PolarHBondContact O-N 3.44Å; H138-T140 VanDerWaalsContact C-N 3.28Å; H138-T140 PolarHBondContact O-N 3.44Å; T140-L143 PolarHBondContact O-N 3.09Å; T140-E144 WeakPolarHBondContact O-CG 3.48Å; T140-E144 PolarHBondContact O-N 2.9Å
141L98.5Very high96.5Very high74 Ų7488.5 Ų88.539%0.38743%0.428SS..Hα-helixtrans-63.7-44.5179-71.4170.2000112.7R137 H138 L143 E144 K145R137-L141 HydrophobicContact CG-CD1 4.07Å; R137-L141 WeakPolarHBondContact O-CG 3.41Å; R137-L141 PolarHBondContact O-N 3.4Å; H138-L141 PolarHBondContact O-N 3.19Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L141-E144 PolarHBondContact O-N 3.01Å; L141-K145 VanDerWaalsContact O-CB 3.3Å; L141-K145 WeakPolarHBondContact O-CB 3.45Å; L141-K145 PolarHBondContact O-N 3.4Å
142E98.6Very high97.4Very high56 Ų5692 Ų9226%0.26242%0.418SS..Hα-helixtrans-67.1-35.7176.9-71.9-63.7122.900112H138 K145 E146 L165H138-E142 PolarHBondContact O-N 3.04Å; H138-E142 VanDerWaalsContact O-N 3.09Å; E142-K145 WeakPolarHBondContact OE1-CD 3.48Å; E142-K145 IonicContact OE1-NZ 2.87Å; E142-K145 PolarHBondContact OE1-NZ 2.76Å; E142-K145 IonicContact OE2-NZ 2.7Å; E142-K145 PolarHBondContact OE2-NZ 3.11Å; E142-E146 WeakPolarHBondContact O-CB 3.42Å; E142-E146 WeakPolarHBondContact O-CG 3.43Å; E142-E146 PolarHBondContact O-N 3.31Å; E142-L165 HydrophobicContact CB-CD1 4.09Å; E142-L165 HydrophobicContact CB-CD2 3.76Å; E142-L165 HydrophobicContact CG-CD2 4.08Å
143L98.7Very high97.9Very high0 Ų083.3 Ų83.30%039%0.388CS..Hα-helixtrans-64-39.4172.4-74.5167.9000112.6Y135 Q139 T140 L141 F147 I161 L165 L167 I172 W175 F176Y135-L143 HydrophobicContact CD2-CD1 3.93Å; Y135-L143 HydrophobicContact CE2-CD1 4.15Å; Q139-L143 WeakPolarHBondContact O-CB 3.33Å; Q139-L143 WeakPolarHBondContact O-CD1 3.48Å; Q139-L143 WeakPolarHBondContact O-CG 3.46Å; Q139-L143 PolarHBondContact O-N 3.45Å; Q139-L143 VanDerWaalsContact O-N 3.12Å; T140-L143 PolarHBondContact O-N 3.09Å; L141-L143 VanDerWaalsContact C-N 3.35Å; L143-F147 WeakPolarHBondContact O-CB 3.4Å; L143-F147 PolarHBondContact O-N 3.1Å; L143-I161 HydrophobicContact CD2-CG2 4.28Å; L143-L165 HydrophobicContact CD2-CD1 4.09Å; L143-L165 HydrophobicContact CG-CD1 3.79Å; L143-L167 HydrophobicContact CD1-CD1 4.29Å; L143-I172 HydrophobicContact CD2-CD1 3.8Å; L143-W175 VanDerWaalsContact C-CH2 3.48Å; L143-W175 HydrophobicContact CB-CD2 3.97Å; L143-W175 HydrophobicContact CB-CE3 3.91Å; L143-W175 HydrophobicContact CB-CH2 3.68Å; L143-W175 HydrophobicContact CB-CZ2 3.72Å; L143-W175 HydrophobicContact CB-CZ3 3.77Å; L143-W175 HydrophobicContact CD1-CD2 3.9Å; L143-W175 HydrophobicContact CD1-CE3 4.49Å; L143-W175 HydrophobicContact CD1-CG 3.9Å; L143-W175 HydrophobicContact CD2-CD2 4.31Å; L143-W175 HydrophobicContact CD2-CE3 4.13Å; L143-W175 HydrophobicContact CG-CD2 4.29Å; L143-W175 HydrophobicContact CG-CE3 4.4Å; L143-W175 WeakPolarHBondContact O-CH2 3.34Å; L143-W175 WeakPolarHBondContact O-CZ3 3.42Å; L143-F176 HydrophobicContact CD2-CD2 4.49Å; L143-F176 HydrophobicContact CD2-CE2 3.97Å
144E98.6Very high98.1Very high69 Ų6980.5 Ų80.532%0.32238%0.381SS..Hα-helixtrans-69.2-46.7176.4-74.2-179.3164.300111.9T140 L141 E146 F147 H148 W175T140-E144 WeakPolarHBondContact O-CG 3.48Å; T140-E144 PolarHBondContact O-N 2.9Å; L141-E144 PolarHBondContact O-N 3.01Å; E144-E146 VanDerWaalsContact C-N 3.34Å; E144-E146 PolarHBondContact O-N 3.46Å; E144-F147 WeakPolarHBondContact O-CA 3.4Å; E144-F147 WeakPolarHBondContact O-CB 3.4Å; E144-F147 PolarHBondContact O-N 3.04Å; E144-H148 PolarHBondContact O-CD2 2.68Å; E144-H148 PolarHBondContact O-N 2.84Å; E144-W175 HydrophobicContact CG-CH2 3.83Å; E144-W175 HydrophobicContact CG-CZ2 3.85Å
145K98.4Very high98.3Very high116 Ų11681.5 Ų81.550%0.50437%0.371SS..Hα-helixtrans-52.2-49172.6172.2-174167.6-161.90112.1L141 E142 F147 H148 F149L141-K145 VanDerWaalsContact O-CB 3.3Å; L141-K145 WeakPolarHBondContact O-CB 3.45Å; L141-K145 PolarHBondContact O-N 3.4Å; E142-K145 WeakPolarHBondContact OE1-CD 3.48Å; E142-K145 IonicContact OE1-NZ 2.87Å; E142-K145 PolarHBondContact OE1-NZ 2.76Å; E142-K145 IonicContact OE2-NZ 2.7Å; E142-K145 PolarHBondContact OE2-NZ 3.11Å; K145-F147 VanDerWaalsContact C-N 3.34Å; K145-F147 PolarHBondContact O-N 2.88Å; K145-H148 PolarHBondContact O-N 3.04Å; K145-F149 PolarHBondContact O-N 3.23Å
146E98.4Very high98.3Very high16 Ų1687.4 Ų87.48%0.07539%0.393CS..Hα-helixtrans-64.6-35.7175.6-73.1-67.1129.400112.6E142 E144 F149 N150 R157 I161 F176E142-E146 WeakPolarHBondContact O-CB 3.42Å; E142-E146 WeakPolarHBondContact O-CG 3.43Å; E142-E146 PolarHBondContact O-N 3.31Å; E144-E146 VanDerWaalsContact C-N 3.34Å; E144-E146 PolarHBondContact O-N 3.46Å; E146-F149 PolarHBondContact O-N 3.22Å; E146-N150 PolarHBondContact O-N 3.11Å; E146-N150 VanDerWaalsContact O-O 3.12Å; E146-R157 IonicContact OE1-CZ 3.67Å; E146-R157 IonicContact OE1-NE 2.8Å; E146-R157 IonicContact OE1-NH2 2.71Å; E146-R157 PolarHBondContact OE1-NH2 3.33Å; E146-R157 IonicContact OE2-CZ 3.39Å; E146-R157 IonicContact OE2-NE 3.45Å; E146-R157 PolarHBondContact OE2-NE 2.78Å; E146-R157 IonicContact OE2-NH2 3.19Å; E146-R157 PolarHBondContact OE2-NH2 3.06Å; E146-I161 HydrophobicContact CB-CD1 4.05Å; E146-I161 HydrophobicContact CG-CD1 3.7Å; E146-I161 HydrophobicContact CG-CG1 4.06Å; E146-I161 WeakPolarHBondContact OE2-CD1 3.34Å; E146-F176 HydrophobicContact CB-CZ 4.03Å
147F98.6Very high98.3Very high4 Ų488.7 Ų88.72%0.01839%0.388CS..Hα-helixtrans-67.6-35.6175.9-177.5-100.4000113.1L143 E144 K145 N150 R151 W175 F176 R179 R180 W183L143-F147 WeakPolarHBondContact O-CB 3.4Å; L143-F147 PolarHBondContact O-N 3.1Å; E144-F147 WeakPolarHBondContact O-CA 3.4Å; E144-F147 WeakPolarHBondContact O-CB 3.4Å; E144-F147 PolarHBondContact O-N 3.04Å; K145-F147 VanDerWaalsContact C-N 3.34Å; K145-F147 PolarHBondContact O-N 2.88Å; F147-N150 CarbonylContact O-C 3.31Å; F147-N150 VanDerWaalsContact O-C 3.31Å; F147-R151 HydrophobicContact CE1-CG 4.29Å; F147-R151 HydrophobicContact CE2-CB 3.94Å; F147-R151 HydrophobicContact CE2-CG 4.05Å; F147-R151 HydrophobicContact CZ-CB 4.24Å; F147-R151 HydrophobicContact CZ-CG 3.88Å; F147-R151 PolarHBondContact O-N 3.42Å; F147-W175 HydrophobicContact CB-CH2 4.32Å; F147-W175 HydrophobicContact CB-CZ3 4.09Å; F147-F176 HydrophobicContact CB-CE1 4.05Å; F147-F176 HydrophobicContact CB-CZ 4.18Å; F147-F176 AromaticContact CD2-CD1 3.95Å; F147-F176 HydrophobicContact CD2-CD1 3.95Å; F147-F176 AromaticContact CD2-CE1 3.85Å; F147-F176 HydrophobicContact CD2-CE1 3.85Å; F147-F176 HydrophobicContact CG-CE1 4.48Å; F147-R179 HydrophobicContact CB-CG 4.43Å; F147-R179 HydrophobicContact CD1-CG 3.65Å; F147-R179 HydrophobicContact CD2-CB 4.3Å; F147-R179 HydrophobicContact CD2-CG 3.76Å; F147-R179 HydrophobicContact CE1-CG 3.76Å; F147-R179 HydrophobicContact CE2-CB 4.34Å; F147-R179 HydrophobicContact CE2-CG 3.89Å; F147-R179 HydrophobicContact CG-CG 3.65Å; F147-R179 HydrophobicContact CZ-CG 3.88Å; F147-R180 HydrophobicContact CE2-CG 3.66Å; F147-R180 HydrophobicContact CZ-CG 4.2Å; F147-W183 HydrophobicContact CE1-CB 4.27Å; F147-W183 HydrophobicContact CE1-CG 4.24Å; F147-W183 HydrophobicContact CZ-CB 4.03Å; F147-W183 HydrophobicContact CZ-CG 4.11Å
148H97.8Very high98.3Very high123 Ų12381.7 Ų81.757%0.56936%0.361SS*.Hα-helixtrans-68.1-41173.2-77-72.7000111.7E144 K145E144-H148 PolarHBondContact O-CD2 2.68Å; E144-H148 PolarHBondContact O-N 2.84Å; K145-H148 PolarHBondContact O-N 3.04Å
149F97.9Very high98.3Very high171 Ų17179.2 Ų79.275%0.7535%0.352SS*.Hα-helixtrans-64.6-47.8173.7-179-102000112.1K145 E146K145-F149 PolarHBondContact O-N 3.23Å; E146-F149 PolarHBondContact O-N 3.22Å
150N96.8Very high98.3Very high70 Ų7080.8 Ų80.837%0.37436%0.359SS..  trans-148.3118.6175-170.2-14.8000112.1E146 F147 Y152E146-N150 PolarHBondContact O-N 3.11Å; E146-N150 VanDerWaalsContact O-O 3.12Å; F147-N150 CarbonylContact O-C 3.31Å; F147-N150 VanDerWaalsContact O-C 3.31Å; N150-Y152 PolarHBondContact ND2-O 3.24Å; N150-Y152 VanDerWaalsContact ND2-O 3.16Å; N150-Y152 PolarHBondContact O-N 3.17Å; N150-Y152 PolarHBondContact OD1-N 3.33Å; N150-Y152 PolarHBondContact OD1-O 3.24Å
151R97.7Very high98.3Very high100 Ų10079.2 Ų79.238%0.37735%0.349SS..SBendtrans-62.9-15.1178.9-67.7168169.676-8.8113.5F147 R180F147-R151 HydrophobicContact CE1-CG 4.29Å; F147-R151 HydrophobicContact CE2-CB 3.94Å; F147-R151 HydrophobicContact CE2-CG 4.05Å; F147-R151 HydrophobicContact CZ-CB 4.24Å; F147-R151 HydrophobicContact CZ-CG 3.88Å; F147-R151 PolarHBondContact O-N 3.42Å; R151-R180 WeakPolarHBondContact O-CD 3.4Å
152Y98.3Very high98.3Very high147 Ų14776 Ų7658%0.57633%0.333SS*.SBendtrans-135121.1-176.5-66.2-110.3000111.8N150N150-Y152 PolarHBondContact ND2-O 3.24Å; N150-Y152 VanDerWaalsContact ND2-O 3.16Å; N150-Y152 PolarHBondContact O-N 3.17Å; N150-Y152 PolarHBondContact OD1-N 3.33Å; N150-Y152 PolarHBondContact OD1-O 3.24Å
153L98.2Very high98.3Very high30 Ų3080.2 Ų80.216%0.15735%0.352CS..  trans-87.8133.8179.7-62.7-178.7000114.1R157 R158 I161 I172 F176L153-R157 HydrophobicContact CD2-CB 4.43Å; L153-R157 HydrophobicContact CD2-CG 3.91Å; L153-R158 HydrophobicContact CB-CB 4.45Å; L153-R158 HydrophobicContact CD1-CB 4.36Å; L153-I161 HydrophobicContact CD1-CD1 3.75Å; L153-I161 HydrophobicContact CD2-CD1 3.75Å; L153-I161 HydrophobicContact CG-CD1 4.42Å; L153-I172 HydrophobicContact CD1-CG2 3.48Å; L153-I172 VanDerWaalsContact CD1-CG2 3.48Å; L153-F176 HydrophobicContact CD1-CD1 4.2Å; L153-F176 HydrophobicContact CD1-CD2 3.62Å; L153-F176 HydrophobicContact CD1-CE1 4.05Å; L153-F176 HydrophobicContact CD1-CE2 3.48Å; L153-F176 VanDerWaalsContact CD1-CE2 3.48Å; L153-F176 HydrophobicContact CD1-CG 4Å; L153-F176 HydrophobicContact CD1-CZ 3.71Å; L153-F176 HydrophobicContact CD2-CE1 3.87Å; L153-F176 HydrophobicContact CD2-CE2 4.46Å; L153-F176 HydrophobicContact CD2-CZ 3.83Å; L153-F176 HydrophobicContact CG-CD1 3.82Å; L153-F176 HydrophobicContact CG-CD2 4.18Å; L153-F176 HydrophobicContact CG-CE1 3.61Å; L153-F176 HydrophobicContact CG-CE2 4.01Å; L153-F176 HydrophobicContact CG-CG 4.11Å; L153-F176 HydrophobicContact CG-CZ 3.72Å
154T98.5Very high98.3Very high85 Ų8583.8 Ų83.852%0.52138%0.382SS..  trans-68.6166.4164.867.90000111.6R156 R157 R158T154-R156 VanDerWaalsContact C-N 3.34Å; T154-R156 PolarHBondContact O-N 2.94Å; T154-R157 PolarHBondContact OG1-N 3.17Å; T154-R158 WeakPolarHBondContact O-CB 3.36Å; T154-R158 PolarHBondContact O-N 2.97Å; T154-R158 VanDerWaalsContact O-N 3.17Å
155R98.3Very high98.3Very high139 Ų13981 Ų8153%0.52537%0.369SS..Hα-helixtrans-58.8-44176.4179.868.4-179.488.8-13.1112.1I159 E169R155-I159 WeakPolarHBondContact O-CG1 3.42Å; R155-I159 PolarHBondContact O-N 2.91Å; R155-E169 IonicContact CZ-OE1 3.43Å; R155-E169 IonicContact CZ-OE2 3.11Å; R155-E169 IonicContact NH1-OE1 2.7Å; R155-E169 PolarHBondContact NH1-OE1 2.83Å; R155-E169 IonicContact NH1-OE2 2.69Å; R155-E169 PolarHBondContact NH1-OE2 3.22Å; R155-E169 IonicContact NH2-OE1 2.78Å; R155-E169 PolarHBondContact NH2-OE1 3.44Å; R155-E169 IonicContact NH2-OE2 3.82Å
156R98.3Very high98.3Very high185 Ų18581.1 Ų81.170%0.69838%0.383SS*.Hα-helixtrans-65.4-52.7179.1177.1175.8167.4154.90.1111.6T154 R158 I159 E160T154-R156 VanDerWaalsContact C-N 3.34Å; T154-R156 PolarHBondContact O-N 2.94Å; R156-R158 PolarHBondContact O-N 3.27Å; R156-I159 WeakPolarHBondContact O-CB 3.47Å; R156-I159 PolarHBondContact O-N 3.47Å; R156-E160 WeakPolarHBondContact CG-OE1 3.19Å; R156-E160 IonicContact CZ-OE1 3.87Å; R156-E160 IonicContact NE-OE1 3.73Å; R156-E160 PolarHBondContact NE-OE1 3.42Å; R156-E160 IonicContact NH2-OE1 2.81Å; R156-E160 PolarHBondContact NH2-OE1 2.8Å; R156-E160 PolarHBondContact O-N 2.8Å
157R98.5Very high98.3Very high92 Ų9281 Ų8135%0.34738%0.383SS..Hα-helixtrans-61.6-34.1-176.9-17154.9174.5179.9-0.2112.6E146 L153 T154 I159 E160 I161E146-R157 IonicContact OE1-CZ 3.67Å; E146-R157 IonicContact OE1-NE 2.8Å; E146-R157 IonicContact OE1-NH2 2.71Å; E146-R157 PolarHBondContact OE1-NH2 3.33Å; E146-R157 IonicContact OE2-CZ 3.39Å; E146-R157 IonicContact OE2-NE 3.45Å; E146-R157 PolarHBondContact OE2-NE 2.78Å; E146-R157 IonicContact OE2-NH2 3.19Å; E146-R157 PolarHBondContact OE2-NH2 3.06Å; L153-R157 HydrophobicContact CD2-CB 4.43Å; L153-R157 HydrophobicContact CD2-CG 3.91Å; T154-R157 PolarHBondContact OG1-N 3.17Å; R157-I159 VanDerWaalsContact C-N 3.32Å; R157-I159 PolarHBondContact O-N 3.32Å; R157-E160 WeakPolarHBondContact CD-OE2 3.11Å; R157-E160 IonicContact CZ-OE2 3.74Å; R157-E160 IonicContact NE-OE2 2.76Å; R157-E160 IonicContact NH1-OE2 3.83Å; R157-E160 PolarHBondContact NH1-OE2 2.74Å; R157-E160 PolarHBondContact O-N 2.94Å; R157-I161 HydrophobicContact CG-CD1 3.89Å; R157-I161 HydrophobicContact CG-CG1 4.44Å; R157-I161 WeakPolarHBondContact O-CG1 3.33Å; R157-I161 PolarHBondContact O-N 3.4Å; R157-I161 VanDerWaalsContact O-N 3.1Å
158R98.6Very high98.2Very high50 Ų5083.4 Ų83.419%0.18940%0.4CS..Hα-helixtrans-62-33.8172.8175.5169.254-111.70.8113.6L153 T154 R156 A162 E169 I172L153-R158 HydrophobicContact CB-CB 4.45Å; L153-R158 HydrophobicContact CD1-CB 4.36Å; T154-R158 WeakPolarHBondContact O-CB 3.36Å; T154-R158 PolarHBondContact O-N 2.97Å; T154-R158 VanDerWaalsContact O-N 3.17Å; R156-R158 PolarHBondContact O-N 3.27Å; R158-A162 WeakPolarHBondContact O-CB 3.34Å; R158-A162 PolarHBondContact O-N 3.16Å; R158-A162 VanDerWaalsContact O-N 3.11Å; R158-E169 WeakPolarHBondContact CD-O 3.46Å; R158-E169 HydrophobicContact CG-CB 4.08Å; R158-E169 HydrophobicContact CG-CG 4.03Å; R158-E169 IonicContact NE-OE2 2.81Å; R158-E169 PolarHBondContact NE-OE2 3.1Å; R158-I172 HydrophobicContact CG-CB 4.18Å; R158-I172 HydrophobicContact CG-CG2 4.06Å
159I98.7Very high98.3Very high60 Ų6080.2 Ų80.231%0.30839%0.385SS..Hα-helixtrans-66.1-51.7173.8-64.3161000109.6R155 R156 R157 I161 A162 H163R155-I159 WeakPolarHBondContact O-CG1 3.42Å; R155-I159 PolarHBondContact O-N 2.91Å; R156-I159 WeakPolarHBondContact O-CB 3.47Å; R156-I159 PolarHBondContact O-N 3.47Å; R157-I159 VanDerWaalsContact C-N 3.32Å; R157-I159 PolarHBondContact O-N 3.32Å; I159-I161 PolarHBondContact O-N 2.95Å; I159-A162 WeakPolarHBondContact O-CB 3.31Å; I159-A162 PolarHBondContact O-N 2.94Å; I159-A162 VanDerWaalsContact O-N 3.11Å; I159-H163 VanDerWaalsContact CG2-CD2 3.41Å; I159-H163 WeakPolarHBondContact CG2-CD2 3.39Å; I159-H163 WeakPolarHBondContact CG2-NE2 3.31Å; I159-H163 PolarHBondContact O-CD2 3.46Å; I159-H163 PolarHBondContact O-N 3.42Å
160E98.6Very high98.3Very high67 Ų6780.6 Ų80.631%0.31338%0.382SS..Hα-helixtrans-55-48.9-177-64168.1-179.100111.4R156 R157 A164R156-E160 WeakPolarHBondContact CG-OE1 3.19Å; R156-E160 IonicContact CZ-OE1 3.87Å; R156-E160 IonicContact NE-OE1 3.73Å; R156-E160 PolarHBondContact NE-OE1 3.42Å; R156-E160 IonicContact NH2-OE1 2.81Å; R156-E160 PolarHBondContact NH2-OE1 2.8Å; R156-E160 PolarHBondContact O-N 2.8Å; R157-E160 WeakPolarHBondContact CD-OE2 3.11Å; R157-E160 IonicContact CZ-OE2 3.74Å; R157-E160 IonicContact NE-OE2 2.76Å; R157-E160 IonicContact NH1-OE2 3.83Å; R157-E160 PolarHBondContact NH1-OE2 2.74Å; R157-E160 PolarHBondContact O-N 2.94Å; E160-A164 WeakPolarHBondContact O-CB 3.44Å; E160-A164 PolarHBondContact O-N 3.07Å; E160-A164 VanDerWaalsContact O-N 3.11Å
161I98.5Very high98.4Very high9 Ų979.6 Ų79.65%0.04638%0.375CS..Hα-helixtrans-67.5-38.8177.8-58.8162.7000111.8L143 E146 L153 R157 I159 H163 A164 L165 I172L143-I161 HydrophobicContact CD2-CG2 4.28Å; E146-I161 HydrophobicContact CB-CD1 4.05Å; E146-I161 HydrophobicContact CG-CD1 3.7Å; E146-I161 HydrophobicContact CG-CG1 4.06Å; E146-I161 WeakPolarHBondContact OE2-CD1 3.34Å; L153-I161 HydrophobicContact CD1-CD1 3.75Å; L153-I161 HydrophobicContact CD2-CD1 3.75Å; L153-I161 HydrophobicContact CG-CD1 4.42Å; R157-I161 HydrophobicContact CG-CD1 3.89Å; R157-I161 HydrophobicContact CG-CG1 4.44Å; R157-I161 WeakPolarHBondContact O-CG1 3.33Å; R157-I161 PolarHBondContact O-N 3.4Å; R157-I161 VanDerWaalsContact O-N 3.1Å; I159-I161 PolarHBondContact O-N 2.95Å; I161-H163 PolarHBondContact O-N 3.02Å; I161-A164 PolarHBondContact O-N 2.8Å; I161-L165 HydrophobicContact CG2-CD1 3.7Å; I161-L165 HydrophobicContact CG2-CG 4.15Å; I161-L165 WeakPolarHBondContact O-CB 3.34Å; I161-L165 WeakPolarHBondContact O-CG 3.42Å; I161-L165 PolarHBondContact O-N 2.81Å; I161-I172 HydrophobicContact CG2-CD1 3.9Å
162A98.6Very high98.4Very high7 Ų774.8 Ų74.86%0.05836%0.357CS..Hα-helixtrans-59.1-45.5179.200000111.8R158 I159 C166 L167 E169 I172R158-A162 WeakPolarHBondContact O-CB 3.34Å; R158-A162 PolarHBondContact O-N 3.16Å; R158-A162 VanDerWaalsContact O-N 3.11Å; I159-A162 WeakPolarHBondContact O-CB 3.31Å; I159-A162 PolarHBondContact O-N 2.94Å; I159-A162 VanDerWaalsContact O-N 3.11Å; A162-C166 PolarHBondContact O-N 2.78Å; A162-C166 VanDerWaalsContact O-N 3.17Å; A162-L167 CarbonylContact C-O 3.44Å; A162-L167 VanDerWaalsContact CA-O 3.31Å; A162-L167 WeakPolarHBondContact CA-O 3.13Å; A162-L167 WeakPolarHBondContact CB-O 3.46Å; A162-L167 PolarHBondContact O-N 3.43Å; A162-L167 VanDerWaalsContact O-O 3.05Å; A162-E169 HydrophobicContact CB-CG 4.17Å; A162-I172 HydrophobicContact CB-CG1 4.08Å
163H98.6Very high98.4Very high144 Ų14474 Ų7467%0.66736%0.356SS*.Hα-helixtrans-67.6-46.9175.6-68.1-67.5000112.2I159 I161 L165 C166I159-H163 VanDerWaalsContact CG2-CD2 3.41Å; I159-H163 WeakPolarHBondContact CG2-CD2 3.39Å; I159-H163 WeakPolarHBondContact CG2-NE2 3.31Å; I159-H163 PolarHBondContact O-CD2 3.46Å; I159-H163 PolarHBondContact O-N 3.42Å; I161-H163 PolarHBondContact O-N 3.02Å; H163-L165 VanDerWaalsContact C-N 3.26Å; H163-L165 PolarHBondContact O-N 2.87Å; H163-C166 PolarHBondContact O-N 3.41Å
164A98.3Very high98.4Very high75 Ų7575.2 Ų75.262%0.6236%0.363SS*.Hα-helixtrans-59.3-34.5-178.500000113.5E160 I161E160-A164 WeakPolarHBondContact O-CB 3.44Å; E160-A164 PolarHBondContact O-N 3.07Å; E160-A164 VanDerWaalsContact O-N 3.11Å; I161-A164 PolarHBondContact O-N 2.8Å
165L98.3Very high98.4Very high10 Ų1072.7 Ų72.75%0.05234%0.344CS..THydrogen-bonded Turntrans-101.32.3-177.1-57.7-173000114.2Q139 E142 L143 I161 H163 L167Q139-L165 HydrophobicContact CG-CB 4.32Å; Q139-L165 PolarHBondContact NE2-O 2.69Å; E142-L165 HydrophobicContact CB-CD1 4.09Å; E142-L165 HydrophobicContact CB-CD2 3.76Å; E142-L165 HydrophobicContact CG-CD2 4.08Å; L143-L165 HydrophobicContact CD2-CD1 4.09Å; L143-L165 HydrophobicContact CG-CD1 3.79Å; I161-L165 HydrophobicContact CG2-CD1 3.7Å; I161-L165 HydrophobicContact CG2-CG 4.15Å; I161-L165 WeakPolarHBondContact O-CB 3.34Å; I161-L165 WeakPolarHBondContact O-CG 3.42Å; I161-L165 PolarHBondContact O-N 2.81Å; H163-L165 VanDerWaalsContact C-N 3.26Å; H163-L165 PolarHBondContact O-N 2.87Å; L165-L167 VanDerWaalsContact C-N 3.26Å; L165-L167 HydrophobicContact CB-CD1 4.21Å; L165-L167 HydrophobicContact CB-CG 4.26Å; L165-L167 PolarHBondContact O-N 3.16Å
166C98.4Very high98.5Very high119 Ų11966.5 Ų66.580%0.80432%0.32SS*.THydrogen-bonded Turntrans50.842.9-172.1-53.70000113.2A162 H163A162-C166 PolarHBondContact O-N 2.78Å; A162-C166 VanDerWaalsContact O-N 3.17Å; H163-C166 PolarHBondContact O-N 3.41Å
167L98Very high98.5Very high14 Ų1462.5 Ų62.57%0.07331%0.31CS..  trans-117.9148177.6-68.9176.3000110.2Y135 L143 A162 L165 Q171 I172Y135-L167 HydrophobicContact CD1-CD2 4.15Å; Y135-L167 HydrophobicContact CD2-CD1 4.47Å; Y135-L167 HydrophobicContact CE1-CD2 3.97Å; Y135-L167 HydrophobicContact CE2-CD1 4.35Å; L143-L167 HydrophobicContact CD1-CD1 4.29Å; A162-L167 CarbonylContact C-O 3.44Å; A162-L167 VanDerWaalsContact CA-O 3.31Å; A162-L167 WeakPolarHBondContact CA-O 3.13Å; A162-L167 WeakPolarHBondContact CB-O 3.46Å; A162-L167 PolarHBondContact O-N 3.43Å; A162-L167 VanDerWaalsContact O-O 3.05Å; L165-L167 VanDerWaalsContact C-N 3.26Å; L165-L167 HydrophobicContact CB-CD1 4.21Å; L165-L167 HydrophobicContact CB-CG 4.26Å; L165-L167 PolarHBondContact O-N 3.16Å; L167-Q171 HydrophobicContact CB-CB 4.33Å; L167-I172 HydrophobicContact CB-CD1 3.89Å; L167-I172 HydrophobicContact CB-CG1 4.43Å; L167-I172 HydrophobicContact CD1-CD1 3.94Å
168S98.5Very high98.5Very high54 Ų5462 Ų6238%0.37831%0.314SS..  trans-66.6148.5172.765.70000111.6R170 Q171 I172S168-R170 PolarHBondContact O-N 2.7Å; S168-Q171 WeakPolarHBondContact O-CA 3.39Å; S168-Q171 WeakPolarHBondContact O-CB 3.43Å; S168-Q171 PolarHBondContact O-N 3.01Å; S168-Q171 WeakPolarHBondContact OG-CG 3.5Å; S168-Q171 PolarHBondContact OG-N 3.21Å; S168-Q171 PolarHBondContact OG-OE1 3.42Å; S168-I172 PolarHBondContact O-N 3.09Å; S168-I172 VanDerWaalsContact O-N 3.1Å
169E98.6Very high98.4Very high56 Ų5661.7 Ų61.726%0.26231%0.313SS..Hα-helixtrans-50.4-34.5171.8-74.8-158.1-121.500113.2R155 R158 A162 I172 K173R155-E169 IonicContact CZ-OE1 3.43Å; R155-E169 IonicContact CZ-OE2 3.11Å; R155-E169 IonicContact NH1-OE1 2.7Å; R155-E169 PolarHBondContact NH1-OE1 2.83Å; R155-E169 IonicContact NH1-OE2 2.69Å; R155-E169 PolarHBondContact NH1-OE2 3.22Å; R155-E169 IonicContact NH2-OE1 2.78Å; R155-E169 PolarHBondContact NH2-OE1 3.44Å; R155-E169 IonicContact NH2-OE2 3.82Å; R158-E169 WeakPolarHBondContact CD-O 3.46Å; R158-E169 HydrophobicContact CG-CB 4.08Å; R158-E169 HydrophobicContact CG-CG 4.03Å; R158-E169 IonicContact NE-OE2 2.81Å; R158-E169 PolarHBondContact NE-OE2 3.1Å; A162-E169 HydrophobicContact CB-CG 4.17Å; E169-I172 PolarHBondContact O-N 3.5Å; E169-K173 WeakPolarHBondContact O-CB 3.46Å; E169-K173 PolarHBondContact O-N 3.45Å
170R98.1Very high98.4Very high179 Ų17962.7 Ų62.768%0.67531%0.313SS*.Hα-helixtrans-64.8-41.9176.5-175.8178.1178.4-82.1-2111.7S168 K173 I174S168-R170 PolarHBondContact O-N 2.7Å; R170-K173 PolarHBondContact O-N 2.87Å; R170-I174 HydrophobicContact CG-CD1 3.91Å; R170-I174 WeakPolarHBondContact O-CB 3.33Å; R170-I174 VanDerWaalsContact O-CG1 3.27Å; R170-I174 WeakPolarHBondContact O-CG1 3.49Å; R170-I174 PolarHBondContact O-N 2.85Å
171Q98.4Very high98.4Very high49 Ų4964.9 Ų64.923%0.22932%0.324CS..Hα-helixtrans-63.1-44.1174.5-81.2160.3-6000111.4Y135 L167 S168 I174 W175Y135-Q171 WeakPolarHBondContact OH-CB 3.42Å; L167-Q171 HydrophobicContact CB-CB 4.33Å; S168-Q171 WeakPolarHBondContact O-CA 3.39Å; S168-Q171 WeakPolarHBondContact O-CB 3.43Å; S168-Q171 PolarHBondContact O-N 3.01Å; S168-Q171 WeakPolarHBondContact OG-CG 3.5Å; S168-Q171 PolarHBondContact OG-N 3.21Å; S168-Q171 PolarHBondContact OG-OE1 3.42Å; Q171-I174 PolarHBondContact O-N 3.21Å; Q171-W175 WeakPolarHBondContact O-CB 3.42Å; Q171-W175 PolarHBondContact O-N 3.4Å
172I98.6Very high98.3Very high0 Ų070.3 Ų70.30%035%0.348CS..Hα-helixtrans-59.4-49.1174.3-54.4-59.5000110.6L143 L153 R158 I161 A162 L167 S168 E169 I174 W175 F176L143-I172 HydrophobicContact CD2-CD1 3.8Å; L153-I172 HydrophobicContact CD1-CG2 3.48Å; L153-I172 VanDerWaalsContact CD1-CG2 3.48Å; R158-I172 HydrophobicContact CG-CB 4.18Å; R158-I172 HydrophobicContact CG-CG2 4.06Å; I161-I172 HydrophobicContact CG2-CD1 3.9Å; A162-I172 HydrophobicContact CB-CG1 4.08Å; L167-I172 HydrophobicContact CB-CD1 3.89Å; L167-I172 HydrophobicContact CB-CG1 4.43Å; L167-I172 HydrophobicContact CD1-CD1 3.94Å; S168-I172 PolarHBondContact O-N 3.09Å; S168-I172 VanDerWaalsContact O-N 3.1Å; E169-I172 PolarHBondContact O-N 3.5Å; I172-I174 PolarHBondContact O-N 2.93Å; I172-W175 PolarHBondContact O-N 2.95Å; I172-F176 HydrophobicContact CG2-CD2 4.08Å; I172-F176 HydrophobicContact CG2-CE2 4.34Å; I172-F176 PolarHBondContact O-N 3.08Å
173K98.4Very high98.1Very high129 Ų12973.6 Ų73.656%0.56136%0.358SS*.Hα-helixtrans-57.6-46.2178-179-179.1176.9-179.10112.2E169 R170 Q177E169-K173 WeakPolarHBondContact O-CB 3.46Å; E169-K173 PolarHBondContact O-N 3.45Å; R170-K173 PolarHBondContact O-N 2.87Å; K173-Q177 WeakPolarHBondContact O-CB 3.31Å; K173-Q177 PolarHBondContact O-N 3.34Å
174I98.4Very high98Very high56 Ų5672.9 Ų72.929%0.28735%0.354SS..Hα-helixtrans-66.5-42179.4-70.8167.8000110.7R170 Q171 I172 Q177 N178R170-I174 HydrophobicContact CG-CD1 3.91Å; R170-I174 WeakPolarHBondContact O-CB 3.33Å; R170-I174 VanDerWaalsContact O-CG1 3.27Å; R170-I174 WeakPolarHBondContact O-CG1 3.49Å; R170-I174 PolarHBondContact O-N 2.85Å; Q171-I174 PolarHBondContact O-N 3.21Å; I172-I174 PolarHBondContact O-N 2.93Å; I174-Q177 PolarHBondContact O-N 3.49Å; I174-N178 VanDerWaalsContact O-CG 3.23Å; I174-N178 PolarHBondContact O-N 3.41Å; I174-N178 PolarHBondContact O-ND2 3.46Å
175W98.5Very high97.8Very high33 Ų3375.1 Ų75.113%0.12535%0.349CS..Hα-helixtrans-63.2-46178.1-170.797000111.5Y135 L143 E144 F147 Q171 I172 Q177 N178 R179Y135-W175 AromaticContact CD2-CD1 3.86Å; Y135-W175 HydrophobicContact CE2-CB 4.22Å; Y135-W175 AromaticContact CE2-CD1 3.56Å; Y135-W175 HydrophobicContact CE2-CG 4.15Å; L143-W175 VanDerWaalsContact C-CH2 3.48Å; L143-W175 HydrophobicContact CB-CD2 3.97Å; L143-W175 HydrophobicContact CB-CE3 3.91Å; L143-W175 HydrophobicContact CB-CH2 3.68Å; L143-W175 HydrophobicContact CB-CZ2 3.72Å; L143-W175 HydrophobicContact CB-CZ3 3.77Å; L143-W175 HydrophobicContact CD1-CD2 3.9Å; L143-W175 HydrophobicContact CD1-CE3 4.49Å; L143-W175 HydrophobicContact CD1-CG 3.9Å; L143-W175 HydrophobicContact CD2-CD2 4.31Å; L143-W175 HydrophobicContact CD2-CE3 4.13Å; L143-W175 HydrophobicContact CG-CD2 4.29Å; L143-W175 HydrophobicContact CG-CE3 4.4Å; L143-W175 WeakPolarHBondContact O-CH2 3.34Å; L143-W175 WeakPolarHBondContact O-CZ3 3.42Å; E144-W175 HydrophobicContact CG-CH2 3.83Å; E144-W175 HydrophobicContact CG-CZ2 3.85Å; F147-W175 HydrophobicContact CB-CH2 4.32Å; F147-W175 HydrophobicContact CB-CZ3 4.09Å; Q171-W175 WeakPolarHBondContact O-CB 3.42Å; Q171-W175 PolarHBondContact O-N 3.4Å; I172-W175 PolarHBondContact O-N 2.95Å; W175-Q177 VanDerWaalsContact C-N 3.27Å; W175-Q177 PolarHBondContact O-N 2.79Å; W175-N178 PolarHBondContact O-N 3.03Å; W175-R179 HydrophobicContact CD2-CB 4.5Å; W175-R179 HydrophobicContact CE3-CB 4.02Å; W175-R179 HydrophobicContact CH2-CB 3.95Å; W175-R179 HydrophobicContact CH2-CG 3.71Å; W175-R179 HydrophobicContact CZ2-CB 4.43Å; W175-R179 HydrophobicContact CZ2-CG 4.39Å; W175-R179 HydrophobicContact CZ3-CB 3.73Å; W175-R179 HydrophobicContact CZ3-CG 3.85Å; W175-R179 WeakPolarHBondContact O-CB 3.32Å; W175-R179 PolarHBondContact O-N 3.21Å
176F98.8Very high97.5Very high8 Ų876.7 Ų76.74%0.03536%0.358CS..Hα-helixtrans-65.5-26.5175.3-91.3-100.7000113.7L143 E146 F147 L153 I172 R180L143-F176 HydrophobicContact CD2-CD2 4.49Å; L143-F176 HydrophobicContact CD2-CE2 3.97Å; E146-F176 HydrophobicContact CB-CZ 4.03Å; F147-F176 HydrophobicContact CB-CE1 4.05Å; F147-F176 HydrophobicContact CB-CZ 4.18Å; F147-F176 AromaticContact CD2-CD1 3.95Å; F147-F176 HydrophobicContact CD2-CD1 3.95Å; F147-F176 AromaticContact CD2-CE1 3.85Å; F147-F176 HydrophobicContact CD2-CE1 3.85Å; F147-F176 HydrophobicContact CG-CE1 4.48Å; L153-F176 HydrophobicContact CD1-CD1 4.2Å; L153-F176 HydrophobicContact CD1-CD2 3.62Å; L153-F176 HydrophobicContact CD1-CE1 4.05Å; L153-F176 HydrophobicContact CD1-CE2 3.48Å; L153-F176 VanDerWaalsContact CD1-CE2 3.48Å; L153-F176 HydrophobicContact CD1-CG 4Å; L153-F176 HydrophobicContact CD1-CZ 3.71Å; L153-F176 HydrophobicContact CD2-CE1 3.87Å; L153-F176 HydrophobicContact CD2-CE2 4.46Å; L153-F176 HydrophobicContact CD2-CZ 3.83Å; L153-F176 HydrophobicContact CG-CD1 3.82Å; L153-F176 HydrophobicContact CG-CD2 4.18Å; L153-F176 HydrophobicContact CG-CE1 3.61Å; L153-F176 HydrophobicContact CG-CE2 4.01Å; L153-F176 HydrophobicContact CG-CG 4.11Å; L153-F176 HydrophobicContact CG-CZ 3.72Å; I172-F176 HydrophobicContact CG2-CD2 4.08Å; I172-F176 HydrophobicContact CG2-CE2 4.34Å; I172-F176 PolarHBondContact O-N 3.08Å; F176-R180 WeakPolarHBondContact O-CG 3.33Å; F176-R180 PolarHBondContact O-N 3.4Å; F176-R180 PolarHBondContact O-NE 3.03Å
177Q98.6Very high96.8Very high101 Ų10175.2 Ų75.247%0.47234%0.339SS..Hα-helixtrans-70.2-49.5170-171.7170.15.100110.8K173 I174 W175 R179 R180 M181K173-Q177 WeakPolarHBondContact O-CB 3.31Å; K173-Q177 PolarHBondContact O-N 3.34Å; I174-Q177 PolarHBondContact O-N 3.49Å; W175-Q177 VanDerWaalsContact C-N 3.27Å; W175-Q177 PolarHBondContact O-N 2.79Å; Q177-R179 PolarHBondContact O-N 2.92Å; Q177-R180 PolarHBondContact O-N 3.02Å; Q177-M181 WeakPolarHBondContact O-CG 3.38Å; Q177-M181 PolarHBondContact O-N 3.29Å; Q177-M181 VanDerWaalsContact O-N 3.08Å
178N98.3Very high95.8Very high83 Ų8381.9 Ų81.944%0.44437%0.367SS..Hα-helixtrans-61.6-42.7178-65-18.1000112.1I174 W175 R180 M181 K182I174-N178 VanDerWaalsContact O-CG 3.23Å; I174-N178 PolarHBondContact O-N 3.41Å; I174-N178 PolarHBondContact O-ND2 3.46Å; W175-N178 PolarHBondContact O-N 3.03Å; N178-R180 PolarHBondContact O-N 3.23Å; N178-M181 PolarHBondContact O-N 3.48Å; N178-K182 PolarHBondContact O-N 3.18Å
179R98.4Very high94.3Very high42 Ų4283.8 Ų83.816%0.15837%0.37CS..Hα-helixtrans-64.2-40.9-179.6-173.863.9-175.9114.4-9.7112.1F147 W175 Q177 K182 W183 D186F147-R179 HydrophobicContact CB-CG 4.43Å; F147-R179 HydrophobicContact CD1-CG 3.65Å; F147-R179 HydrophobicContact CD2-CB 4.3Å; F147-R179 HydrophobicContact CD2-CG 3.76Å; F147-R179 HydrophobicContact CE1-CG 3.76Å; F147-R179 HydrophobicContact CE2-CB 4.34Å; F147-R179 HydrophobicContact CE2-CG 3.89Å; F147-R179 HydrophobicContact CG-CG 3.65Å; F147-R179 HydrophobicContact CZ-CG 3.88Å; W175-R179 HydrophobicContact CD2-CB 4.5Å; W175-R179 HydrophobicContact CE3-CB 4.02Å; W175-R179 HydrophobicContact CH2-CB 3.95Å; W175-R179 HydrophobicContact CH2-CG 3.71Å; W175-R179 HydrophobicContact CZ2-CB 4.43Å; W175-R179 HydrophobicContact CZ2-CG 4.39Å; W175-R179 HydrophobicContact CZ3-CB 3.73Å; W175-R179 HydrophobicContact CZ3-CG 3.85Å; W175-R179 WeakPolarHBondContact O-CB 3.32Å; W175-R179 PolarHBondContact O-N 3.21Å; Q177-R179 PolarHBondContact O-N 2.92Å; R179-K182 PolarHBondContact O-N 3.25Å; R179-W183 VanDerWaalsContact O-CB 3.32Å; R179-W183 WeakPolarHBondContact O-CB 3.19Å; R179-W183 PolarHBondContact O-N 3.19Å; R179-D186 IonicContact NH1-OD2 3.58Å
180R98.1Very high92.8Very high81 Ų8185.9 Ų85.931%0.30638%0.38SS..Hα-helixtrans-64.3-39.2172.4-75.1-178.1-67.8155.74.2112.8F147 R151 F176 Q177 N178 W183 K184F147-R180 HydrophobicContact CE2-CG 3.66Å; F147-R180 HydrophobicContact CZ-CG 4.2Å; R151-R180 WeakPolarHBondContact O-CD 3.4Å; F176-R180 WeakPolarHBondContact O-CG 3.33Å; F176-R180 PolarHBondContact O-N 3.4Å; F176-R180 PolarHBondContact O-NE 3.03Å; Q177-R180 PolarHBondContact O-N 3.02Å; N178-R180 PolarHBondContact O-N 3.23Å; R180-W183 PolarHBondContact O-N 3.2Å; R180-K184 WeakPolarHBondContact O-CB 3.37Å; R180-K184 PolarHBondContact O-N 3.23Å
181M97.9Very high91.1Very high113 Ų11380.8 Ų80.856%0.55737%0.372SS*.Hα-helixtrans-64.9-40.7176.5-67.8-64.4-77.100111.7Q177 N178 K185Q177-M181 WeakPolarHBondContact O-CG 3.38Å; Q177-M181 PolarHBondContact O-N 3.29Å; Q177-M181 VanDerWaalsContact O-N 3.08Å; N178-M181 PolarHBondContact O-N 3.48Å; M181-K185 PolarHBondContact O-N 3Å
182K96.4Very high89.2Confident124 Ų12483.3 Ų83.354%0.53939%0.387SS..Hα-helixtrans-63.1-54171.8-174.7-176.2171.5-1750111.1N178 R179 K184 K185 D186N178-K182 PolarHBondContact O-N 3.18Å; R179-K182 PolarHBondContact O-N 3.25Å; K182-K184 VanDerWaalsContact C-N 3.28Å; K182-K184 PolarHBondContact O-N 3.14Å; K182-K185 WeakPolarHBondContact O-CA 3.35Å; K182-K185 VanDerWaalsContact O-CB 3.31Å; K182-K185 WeakPolarHBondContact O-CB 3.49Å; K182-K185 PolarHBondContact O-N 3.26Å; K182-D186 VanDerWaalsContact CE-OD2 3.31Å; K182-D186 WeakPolarHBondContact CE-OD2 3.27Å; K182-D186 WeakPolarHBondContact CG-OD1 3.48Å; K182-D186 WeakPolarHBondContact CG-OD2 2.73Å; K182-D186 PolarHBondContact O-N 3.25Å
183W95.7Very high87.5Confident75 Ų7588.7 Ų88.728%0.28442%0.415SS..Hα-helixtrans-52.5-42.7179.6176.675.4000113.3F147 R179 R180 K185 D186 H187F147-W183 HydrophobicContact CE1-CB 4.27Å; F147-W183 HydrophobicContact CE1-CG 4.24Å; F147-W183 HydrophobicContact CZ-CB 4.03Å; F147-W183 HydrophobicContact CZ-CG 4.11Å; R179-W183 VanDerWaalsContact O-CB 3.32Å; R179-W183 WeakPolarHBondContact O-CB 3.19Å; R179-W183 PolarHBondContact O-N 3.19Å; R180-W183 PolarHBondContact O-N 3.2Å; W183-K185 VanDerWaalsContact C-N 3.3Å; W183-K185 PolarHBondContact O-N 3.19Å; W183-D186 PolarHBondContact O-N 3.17Å; W183-H187 AromaticContact CD1-CE1 3.9Å; W183-H187 AromaticContact CD1-NE2 3.72Å; W183-H187 AromaticContact CE2-CD2 3.32Å; W183-H187 AromaticContact CE2-NE2 3.44Å; W183-H187 AromaticContact CZ2-CD2 3.34Å; W183-H187 WeakPolarHBondContact CZ2-CD2 3.46Å; W183-H187 AromaticContact CZ2-NE2 3.69Å; W183-H187 AromaticContact NE1-CD2 3.22Å; W183-H187 PolarHBondContact NE1-CD2 3.37Å; W183-H187 AromaticContact NE1-CE1 3.44Å; W183-H187 PolarHBondContact NE1-CE1 2.9Å; W183-H187 AromaticContact NE1-CG 3.92Å; W183-H187 AromaticContact NE1-NE2 2.83Å; W183-H187 PolarHBondContact NE1-NE2 3.3Å; W183-H187 PolarHBondContact O-N 3.3Å; W183-H187 VanDerWaalsContact O-N 3.1Å
184K95.6Very high85.7Confident130 Ų13087.5 Ų87.557%0.56541%0.412SS*.Hα-helixtrans-65.6-29.8175.5-170.5-170.869.4170.70113.2R180 K182R180-K184 WeakPolarHBondContact O-CB 3.37Å; R180-K184 PolarHBondContact O-N 3.23Å; K182-K184 VanDerWaalsContact C-N 3.28Å; K182-K184 PolarHBondContact O-N 3.14Å
185K94.6Very high83.7Confident122 Ų12292.4 Ų92.453%0.5343%0.433SS..Hα-helixtrans-73.5-55.7175-174.4-170.7166.5-171.30109.5M181 K182 W183 H187 K188 E189M181-K185 PolarHBondContact O-N 3Å; K182-K185 WeakPolarHBondContact O-CA 3.35Å; K182-K185 VanDerWaalsContact O-CB 3.31Å; K182-K185 WeakPolarHBondContact O-CB 3.49Å; K182-K185 PolarHBondContact O-N 3.26Å; W183-K185 VanDerWaalsContact C-N 3.3Å; W183-K185 PolarHBondContact O-N 3.19Å; K185-H187 VanDerWaalsContact C-N 3.32Å; K185-H187 PolarHBondContact O-N 3.3Å; K185-K188 PolarHBondContact O-N 2.96Å; K185-E189 VanDerWaalsContact CE-CD 3.41Å; K185-E189 WeakPolarHBondContact CE-OE1 3.49Å; K185-E189 WeakPolarHBondContact CE-OE2 3.46Å; K185-E189 IonicContact NZ-OE1 2.92Å; K185-E189 PolarHBondContact NZ-OE1 2.8Å; K185-E189 IonicContact NZ-OE2 2.6Å; K185-E189 PolarHBondContact O-N 2.8Å
186D91Very high81.8Confident42 Ų4299 Ų9923%0.22547%0.467CS..Hα-helixtrans-50.3-51.6-177.8-52.2-14.9000110.5R179 K182 W183 K188 E189 E190R179-D186 IonicContact NH1-OD2 3.58Å; K182-D186 VanDerWaalsContact CE-OD2 3.31Å; K182-D186 WeakPolarHBondContact CE-OD2 3.27Å; K182-D186 WeakPolarHBondContact CG-OD1 3.48Å; K182-D186 WeakPolarHBondContact CG-OD2 2.73Å; K182-D186 PolarHBondContact O-N 3.25Å; W183-D186 PolarHBondContact O-N 3.17Å; D186-K188 VanDerWaalsContact C-N 3.28Å; D186-K188 PolarHBondContact O-N 2.84Å; D186-E189 PolarHBondContact O-N 3.3Å; D186-E189 VanDerWaalsContact O-N 3.09Å; D186-E190 WeakPolarHBondContact O-CG 3.01Å; D186-E190 PolarHBondContact O-N 2.98Å
187H85.1Confident79.8Confident89 Ų89105.4 Ų105.441%0.41250%0.495SS..Hα-helixtrans-69.3-14.4-179.5-737000115.9W183 K185 E190W183-H187 AromaticContact CD1-CE1 3.9Å; W183-H187 AromaticContact CD1-NE2 3.72Å; W183-H187 AromaticContact CE2-CD2 3.32Å; W183-H187 AromaticContact CE2-NE2 3.44Å; W183-H187 AromaticContact CZ2-CD2 3.34Å; W183-H187 WeakPolarHBondContact CZ2-CD2 3.46Å; W183-H187 AromaticContact CZ2-NE2 3.69Å; W183-H187 AromaticContact NE1-CD2 3.22Å; W183-H187 PolarHBondContact NE1-CD2 3.37Å; W183-H187 AromaticContact NE1-CE1 3.44Å; W183-H187 PolarHBondContact NE1-CE1 2.9Å; W183-H187 AromaticContact NE1-CG 3.92Å; W183-H187 AromaticContact NE1-NE2 2.83Å; W183-H187 PolarHBondContact NE1-NE2 3.3Å; W183-H187 PolarHBondContact O-N 3.3Å; W183-H187 VanDerWaalsContact O-N 3.1Å; K185-H187 VanDerWaalsContact C-N 3.32Å; K185-H187 PolarHBondContact O-N 3.3Å; H187-E190 WeakPolarHBondContact CA-OE2 3.48Å; H187-E190 IonicContact CE1-OE2 3.64Å; H187-E190 PolarHBondContact CE1-OE2 3.29Å; H187-E190 IonicContact CG-OE2 3.37Å; H187-E190 IonicContact ND1-OE2 3.97Å; H187-E190 PolarHBondContact ND1-OE2 2.95Å
188K76.1Confident77.7Confident153 Ų153108.1 Ų108.167%0.66551%0.508SS*.Hα-helixtrans-90-18.8173.7-158.4-179.5-178.4-169.80111.9K185 D186 S191 N192K185-K188 PolarHBondContact O-N 2.96Å; D186-K188 VanDerWaalsContact C-N 3.28Å; D186-K188 PolarHBondContact O-N 2.84Å; K188-S191 PolarHBondContact O-OG 3.31Å; K188-N192 PolarHBondContact O-ND2 2.8Å
189E67.8Low75.4Confident94 Ų94107.5 Ų107.544%0.43952%0.521SS..Hα-helixtrans-84.9-42.7172.8-67.6174.3170.400109.3K185 D186 S191 N192 L193K185-E189 VanDerWaalsContact CE-CD 3.41Å; K185-E189 WeakPolarHBondContact CE-OE1 3.49Å; K185-E189 WeakPolarHBondContact CE-OE2 3.46Å; K185-E189 IonicContact NZ-OE1 2.92Å; K185-E189 PolarHBondContact NZ-OE1 2.8Å; K185-E189 IonicContact NZ-OE2 2.6Å; K185-E189 PolarHBondContact O-N 2.8Å; D186-E189 PolarHBondContact O-N 3.3Å; D186-E189 VanDerWaalsContact O-N 3.09Å; E189-S191 VanDerWaalsContact C-N 3.32Å; E189-S191 PolarHBondContact O-N 2.73Å; E189-N192 PolarHBondContact O-N 2.82Å; E189-L193 WeakPolarHBondContact O-CD1 3.22Å; E189-L193 PolarHBondContact O-N 2.84Å
190E66Low72.8Confident101 Ų101111.7 Ų111.747%0.47255%0.547SS..Hα-helixtrans-56.5-39.9175.5-72.3161.7153.700113.1D186 H187 N192 L193 E194D186-E190 WeakPolarHBondContact O-CG 3.01Å; D186-E190 PolarHBondContact O-N 2.98Å; H187-E190 WeakPolarHBondContact CA-OE2 3.48Å; H187-E190 IonicContact CE1-OE2 3.64Å; H187-E190 PolarHBondContact CE1-OE2 3.29Å; H187-E190 IonicContact CG-OE2 3.37Å; H187-E190 IonicContact ND1-OE2 3.97Å; H187-E190 PolarHBondContact ND1-OE2 2.95Å; E190-N192 PolarHBondContact O-N 2.85Å; E190-L193 PolarHBondContact O-N 2.6Å; E190-E194 PolarHBondContact O-N 2.92Å
191S61.7Low70.7Confident72 Ų72114.2 Ų114.250%0.50357%0.565SS.*Hα-helixtrans-65.4-21.2176.669.80000114.5K188 E189K188-S191 PolarHBondContact O-OG 3.31Å; E189-S191 VanDerWaalsContact C-N 3.32Å; E189-S191 PolarHBondContact O-N 2.73Å
192N59.7Low68Low101 Ų101116.9 Ų116.954%0.5458%0.576SS.*Hα-helixtrans-91.9-22.7175.8-73.6-90.7000112.3K188 E189 E190K188-N192 PolarHBondContact O-ND2 2.8Å; E189-N192 PolarHBondContact O-N 2.82Å; E190-N192 PolarHBondContact O-N 2.85Å
193L63.3Low65.3Low113 Ų113116.6 Ų116.659%0.59259%0.585SS**Hα-helixtrans-82.3-32.7178.5-89.187.2000113E189 E190 E195 M196E189-L193 WeakPolarHBondContact O-CD1 3.22Å; E189-L193 PolarHBondContact O-N 2.84Å; E190-L193 PolarHBondContact O-N 2.6Å; L193-E195 VanDerWaalsContact C-N 3.35Å; L193-M196 PolarHBondContact O-N 2.96Å
194E59Low63.1Low105 Ų105121.4 Ų121.449%0.49161%0.611SS.*G310 helixtrans-71.7-27.1-179.3-65.8-58.7132.100112.7E190 M196 K197E190-E194 PolarHBondContact O-N 2.92Å; E194-M196 PolarHBondContact O-N 3.27Å; E194-K197 PolarHBondContact O-N 3.21Å; E194-K197 VanDerWaalsContact O-N 3.14Å; E194-K197 IonicContact OE1-NZ 3.82Å; E194-K197 PolarHBondContact OE1-NZ 3.32Å; E194-K197 IonicContact OE2-NZ 2.8Å
195E57.3Low60.5Low159 Ų159120.6 Ų120.674%0.74362%0.621SS**G310 helixtrans-61-27.5169.6-73.8-172.5155.600112.8L193L193-E195 VanDerWaalsContact C-N 3.35Å
196M58.8Low58.5Low170 Ų170119.5 Ų119.584%0.83764%0.635SS**G310 helixtrans-82.5-12.5177-99.7179.868.600114.4L193 E194L193-M196 PolarHBondContact O-N 2.96Å; E194-M196 PolarHBondContact O-N 3.27Å
197K56.9Low56.2Low143 Ų143125.8 Ų125.862%0.62267%0.669SS**THydrogen-bonded Turntrans-93.2-20.3179.2-77-177.8-173.5158.10114.3E194 G199E194-K197 PolarHBondContact O-N 3.21Å; E194-K197 VanDerWaalsContact O-N 3.14Å; E194-K197 IonicContact OE1-NZ 3.82Å; E194-K197 PolarHBondContact OE1-NZ 3.32Å; E194-K197 IonicContact OE2-NZ 2.8Å; K197-G199 PolarHBondContact O-N 2.88Å
198Q53Low54.3Low158 Ų158125.1 Ų125.174%0.73869%0.686SS**THydrogen-bonded Turntrans-79.73-176.3-158.356.559.400113.6
199G50.2Low52.8Low71 Ų71126.9 Ų126.973%0.73270%0.696SS**THydrogen-bonded Turntrans-90.9-6.7-175.200000116.7K197K197-G199 PolarHBondContact O-N 2.88Å
200D44.5Very low52.2Low130 Ų130128.6 Ų128.670%0.69572%0.716SS**  trans-130.661-171.7-154.326.3000113
201I53Low51.4Low134 Ų134127.5 Ų127.569%0.68773%0.731SS**  trans-126.785.4153.4-58.5-178.8000106.7T203I201-T203 PolarHBondContact O-N 3.28Å
202Q42.6Very low50.7Low169 Ų169127.8 Ų127.879%0.7975%0.746SS**  trans-73.597.3164.6-65.3-177.11400108.2E204Q202-E204 VanDerWaalsContact C-N 3.35Å; Q202-E204 PolarHBondContact O-N 2.95Å; Q202-E204 VanDerWaalsContact O-N 3.16Å
203T39.4Very low50Low117 Ų117126.3 Ų126.372%0.71876%0.755SS**  trans-7993.3161.6-56.90000108I201 S205I201-T203 PolarHBondContact O-N 3.28Å; T203-S205 PolarHBondContact O-N 3.04Å
204E48.5Very low49.7Very low177 Ų177128.7 Ų128.783%0.82777%0.768SS**  trans-61.2115.716160.6-166.1133.100109.4Q202Q202-E204 VanDerWaalsContact C-N 3.35Å; Q202-E204 PolarHBondContact O-N 2.95Å; Q202-E204 VanDerWaalsContact O-N 3.16Å
205S41.8Very low50.2Low112 Ų112129 Ų12978%0.78378%0.779SS**  trans-170.481.5160.9-79.80000108.1T203T203-S205 PolarHBondContact O-N 3.04Å
206A52.5Low49.9Very low100 Ų100126.3 Ų126.383%0.82678%0.784SS**  trans-84.6109.7164.300000108.1
207D43.4Very low49.9Very low173 Ų173125.2 Ų125.293%0.92578%0.777SS**  trans-149.6122.9152.4-92.1-40.1000106.7
208G44Very low50.6Low75 Ų75124 Ų12477%0.77378%0.784SS**  trans-116.3144.7-172.500000112.1
209E45.6Very low50.9Low190 Ų190123.8 Ų123.889%0.88878%0.781SS**  trans-147.7116.5167.6-112.8-105.8106.800108.4
210P55.5Low51.2Low130 Ų130132.5 Ų132.584%0.84481%0.809SS**  trans-108.5105.7174.234.7-25000112
211G49.3Very low51.6Low78 Ų78132.6 Ų132.680%0.80481%0.814SS**  trans-159.3146.4164.300000110.4
212G45.4Very low51.5Low78 Ų78132.5 Ų132.580%0.80482%0.821SS**  cis154.4102.9-200000110.5
213G46.2Very low52Low71 Ų71130.5 Ų130.573%0.73282%0.823SS**  trans71.8160.8-175.800000114
214D57Low52.7Low163 Ų163131.3 Ų131.387%0.87283%0.829SS**  cis-158167.7-14.3-124.8-19.4000107.4
215P68.3Low53Low112 Ų112128.4 Ų128.473%0.72783%0.829SS**  trans-94.9173.9-170.737.7-36.4000115.5
216A52.6Low53.7Low102 Ų102129.5 Ų129.584%0.84383%0.832SS**  trans81.1126.8175.100000115.4
217E59.2Low53.8Low146 Ų146131.6 Ų131.668%0.68283%0.833SS**  -159.615167.4-133.2-167.6165.500111.7K219E217-K219 IonicContact OE1-NZ 3.32Å; E217-K219 PolarHBondContact OE1-NZ 3.44Å; E217-K219 IonicContact OE2-NZ 3.07Å; E217-K219 PolarHBondContact OE2-NZ 2.9Å
218P69.9Low54.6Low119 Ų119128.5 Ų128.577%0.77383%0.826SS**  trans-96.7137.4168.135.1-29.5000111.9
219K60.8Low55.5Low153 Ų153132.9 Ų132.967%0.66583%0.83SS**  trans-139.3120.8169-75-171.6168.9125.80113.7E217E217-K219 IonicContact OE1-NZ 3.32Å; E217-K219 PolarHBondContact OE1-NZ 3.44Å; E217-K219 IonicContact OE2-NZ 3.07Å; E217-K219 PolarHBondContact OE2-NZ 2.9Å
220L56.2Low56.4Low253 Ų253127.7 Ų127.7100%1.32583%0.825SS**  trans65.10157.4-58.9169.6000117.6

Retrieved 220 of 220 residues in 496.5 ms (Link to these results)