A0A077ZCZ0_TRITR Loading...

Homeobox KN domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCZ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 451 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
1M47.6Very low47.9Very low244 Ų244143.5 Ų143.5100%1.20283%0.834SS**  0125.70-78.2162.1165.700107.9
2S43.1Very low48Very low109 Ų109143.3 Ų143.376%0.76284%0.836SS**  trans47111.9171.6-68.40000119.4
3F45.4Very low48.7Very low218 Ų218147 Ų14796%0.95684%0.844SS**  52.8128.470.7-79.6-93.7000112
4G46.8Very low48.9Very low60 Ų60146.4 Ų146.462%0.61984%0.837SS**  cis156.3-171.314.700000108.7
5Q51.6Low49Very low198 Ų198144.1 Ų144.193%0.92583%0.829SS**  trans90.6136.6174.9-55.7-174.319.300116.1
6A45.9Very low48.6Very low93 Ų93145.6 Ų145.677%0.76983%0.827SS**  cis-172.5144.7-18.300000106.2
7L46.8Very low48.5Very low165 Ų165146.5 Ų146.586%0.86483%0.828SS**  trans-71.5-158.8172.5-64.8166.4000110.9
8P58.9Low48.3Very low87 Ų87147.8 Ų147.857%0.56583%0.831SS**  cis-146.5-168.1-3.117.812.2000116.8
9Y45.1Very low48.1Very low225 Ų225148.4 Ų148.488%0.88283%0.831SS**  trans93.4124.1162.1-56.2-77.5000115
10G45.6Very low47.8Very low75 Ų75146.1 Ų146.177%0.77383%0.826SS**  cis131.4103.913.500000108.8
11A50.1Low47.8Very low104 Ų104146.2 Ų146.286%0.8683%0.83SS**  trans-161.698.9163.200000110.6
12V49.7Very low47.7Very low141 Ų141139.8 Ų139.886%0.85581%0.809SS**  trans-93.7125.6163172.90000106.3
13M56.9Low47.9Very low192 Ų192142.4 Ų142.495%0.94681%0.813SS**  trans-133.5135.4160.3-77.6-144.7140.900111.3
14N50.6Low47.9Very low139 Ų139135.8 Ų135.874%0.74381%0.807SS**  trans-96.9142.3-164.7179.2-13.6000109.9
15P51.1Low47.8Very low111 Ų111144.5 Ų144.572%0.72182%0.821SS**  trans-95.6110.6-179.134.7-28.3000111.7
16Q42.7Very low47.8Very low168 Ų168145.2 Ų145.279%0.78582%0.821SS**  trans-161.1113.9157.5-80.7-58.3-1.200108.5
17L46.5Very low47.9Very low161 Ų161146.2 Ų146.284%0.84382%0.822SS**  trans-177.9114143.8-81.7-157.3000107.6
18L45.7Very low47.9Very low171 Ų171144.6 Ų144.690%0.89582%0.821SS**  165.797.6123.4-83.5172.9000109.9
19L44.9Very low47.5Very low158 Ų158146.2 Ų146.283%0.82784%0.835SS**  trans-74.6148.7156.8-102.672.7000109.8
20S40.4Very low47.4Very low103 Ų103139.1 Ų139.172%0.7283%0.83SS**  trans71.4114.9146.6-65.30000119.6
21T48.7Very low47.4Very low149 Ų149147 Ų14791%0.91484%0.837SS**  trans170.1142.2136.7340000105
22S45.8Very low47.6Very low109 Ų109147.1 Ų147.176%0.76283%0.831SS**  cis-163.8139.1-1.1170.50000104.6
23L47Very low46.9Very low164 Ų164147.9 Ų147.986%0.85983%0.83SS**  trans-62.5142.1169.5-82.684.8000110.4
24G46.1Very low46.9Very low79 Ų79144.2 Ų144.281%0.81482%0.821SS**  trans-140.984.4168.800000110.2
25R44.6Very low46.6Very low243 Ų243142 Ų14292%0.91782%0.817SS**  trans-69.2134.9167.1-101-180175.6-147-0.3109.4
26K49.9Very low46.3Very low213 Ų213145.1 Ų145.193%0.92682%0.821SS**  trans-149133.7148.3-134.5165.1-178.6-169.20112
27S48.7Very low46.4Very low114 Ų114144.7 Ų144.780%0.79782%0.823SS**  trans-71.9166.2-163.5-50.50000116.1
28P46.8Very low46.2Very low130 Ų130143.1 Ų143.184%0.84482%0.819SS**  trans-98.7154.9174.737.5-29.5000113.4
29S51.1Low46.8Very low122 Ų122140.3 Ų140.385%0.85381%0.812SS**  trans-148.4124.8164.258.90000105.6
30G43.5Very low46.7Very low76 Ų76138.7 Ų138.778%0.78481%0.808SS**  cis112.895.747.100000107.7
31R45.4Very low47.4Very low240 Ų240139.8 Ų139.891%0.90681%0.813SS**  trans-176.190.5167.4-109.1175.8168.5-141.5-4.5108
32S52.7Low47.1Very low106 Ų106138 Ų13874%0.74181%0.806SS**  69.4105.194.266.70000114.4
33D37Very low46.7Very low157 Ų157138.7 Ų138.784%0.8481%0.806SS**  trans-53.9161.1168.2-70.1-56.7000113.8
34P55.5Low46.5Very low115 Ų115137 Ų13775%0.74780%0.802SS**  -142126.6103.133.3-16.3000114.5
35S44.2Very low46.1Very low94 Ų94138.1 Ų138.166%0.65780%0.798SS**  trans22143131.153.50000122.9
36H45.7Very low45.7Very low175 Ų175133.7 Ų133.781%0.8179%0.791SS**  trans75.8109.5157.1-69.8-76.3000118.3
37I44.2Very low45.6Very low160 Ų160129.2 Ų129.282%0.82178%0.784SS**  164.4115.8115.4-79.8152.2000108
38V41.5Very low45.1Very low127 Ų127132 Ų13277%0.7779%0.788SS**  trans-83.3135.7170.7173.50000108.8T40V38-T40 HydrophobicContact CG1-CG2 4.47Å
39P60Low44.7Very low113 Ų113129.1 Ų129.173%0.73478%0.782SS**  trans-115113156.529.9-15.1000110.5
40T42.2Very low44.2Very low124 Ų124128.9 Ų128.976%0.76178%0.781SS**PPolyproline II helixtrans-70133.5163.146.50000110.3V38V38-T40 HydrophobicContact CG1-CG2 4.47Å
41P54.8Low43.9Very low126 Ų126128.6 Ų128.682%0.81878%0.778SS**PPolyproline II helixtrans-88129.916230.8-27.3000111
42S43.5Very low43.6Very low110 Ų110124.9 Ų124.977%0.76977%0.77SS**PPolyproline II helixtrans-48.7131.1-173.6-48.40000116.6V44S42-V44 PolarHBondContact O-N 3.27Å
43T37.5Very low43Very low124 Ų124125.6 Ų125.676%0.76177%0.772SS**PPolyproline II helixtrans-55.8121.8152.8-60.30000110
44V41Very low43.2Very low128 Ų128126 Ų12678%0.77677%0.771SS**  trans-92.897.2163.9177.10000107.3S42S42-V44 PolarHBondContact O-N 3.27Å
45S37.6Very low42.4Very low103 Ų103128 Ų12872%0.7278%0.775SS**  trans-80.6115.7165.7-62.50000108.7
46L37.8Very low42.4Very low150 Ų150128.7 Ų128.779%0.78578%0.778SS**  trans-81139.4164.7-76.8161.6000109.2I48L46-I48 PolarHBondContact O-N 3.11Å
47P48.2Very low42Very low120 Ų120125.5 Ų125.578%0.77978%0.775SS**  trans-72.9124.6-176.329.2-32.5000110.7G49P47-G49 PolarHBondContact O-N 3.41Å; P47-G49 VanDerWaalsContact O-N 3.11Å
48I36.7Very low41.8Very low171 Ų171123.7 Ų123.788%0.87778%0.777SS**  trans-68.8100.9159.5-75164000106.6L46L46-I48 PolarHBondContact O-N 3.11Å
49G38Very low42.2Very low70 Ų70122.9 Ų122.972%0.72278%0.777SS**  trans-100.5118.6170.100000109.7P47P47-G49 PolarHBondContact O-N 3.41Å; P47-G49 VanDerWaalsContact O-N 3.11Å
50S41.7Very low41.7Very low118 Ų118126.7 Ų126.783%0.82579%0.785SS**  trans-57.8136.7-176.6-460000114.5
51G36.1Very low42.5Very low69 Ų69124.1 Ų124.171%0.71177%0.769SS**  trans52.2101.2139.200000119.9
52H39.5Very low43.4Very low163 Ų163121.3 Ų121.376%0.75575%0.752SS**  trans-161.7128.4134.1-121.3-81.6000109.8
53P40.1Very low44.7Very low120 Ų120118.7 Ų118.778%0.77974%0.737SS**  trans-83.7126174.332.4-28.9000109.4
54M42.5Very low46.4Very low167 Ų167119.6 Ų119.682%0.82373%0.733SS**  trans-135.7133.2170.4-72.7-64.6178.900111.1
55N37.8Very low48Very low155 Ų155116.5 Ų116.583%0.82971%0.714SS**  trans-73.9175.6178.8-142.13.4000110.9
56P43.4Very low49.7Very low110 Ų110115.5 Ų115.571%0.71470%0.699SS**  trans-120.5122.1-13129.6-4.9000112.6
57S38.8Very low51.3Low107 Ų107116.5 Ų116.575%0.74869%0.692SS**  trans-166.8137.4161.3540000108.9
58S38.9Very low52.4Low122 Ų122116.9 Ų116.985%0.85369%0.687SS**  trans76.581.1169.7-46.20000115.5
59S50Low54.3Low111 Ų111112.8 Ų112.878%0.77667%0.666SS**  trans-125.997.9145.949.60000107.7V61S59-V61 PolarHBondContact O-N 3.45Å; S59-V61 VanDerWaalsContact O-N 3.12Å
60E49.3Very low55.9Low193 Ų193110 Ų11090%0.90264%0.636SS**  trans-64.6109.1169.1-80.2-179.8107.700108.3S62E60-S62 PolarHBondContact O-N 3.12Å
61V59.1Low57.2Low70 Ų70109 Ų10942%0.42463%0.63SS.*  trans-73.2118170-172.20000106.7S59 A63 T65 M66S59-V61 PolarHBondContact O-N 3.45Å; S59-V61 VanDerWaalsContact O-N 3.12Å; V61-A63 PolarHBondContact O-N 3.4Å; V61-T65 HydrophobicContact CG1-CG2 3.54Å; V61-M66 VanDerWaalsContact O-CE 3.31Å; V61-M66 WeakPolarHBondContact O-CE 3.31Å
62S73.2Confident59Low66 Ų66109.7 Ų109.746%0.46262%0.623SS.*  trans-47.8139.9-179.2177.70000111.4E60 E64 T65 M66E60-S62 PolarHBondContact O-N 3.12Å; S62-E64 PolarHBondContact O-N 3.26Å; S62-T65 WeakPolarHBondContact O-CA 3.31Å; S62-T65 WeakPolarHBondContact O-CB 3.43Å; S62-T65 PolarHBondContact O-N 3.2Å; S62-M66 PolarHBondContact O-N 3.47Å
63A71.9Confident60.5Low55 Ų55110.4 Ų110.446%0.45562%0.621SS.*Hα-helixtrans-54.2-28.6179.400000112.7V61 R67V61-A63 PolarHBondContact O-N 3.4Å; A63-R67 WeakPolarHBondContact O-CB 3.09Å; A63-R67 WeakPolarHBondContact O-CG 3.45Å; A63-R67 PolarHBondContact O-N 2.63Å
64E72.2Confident61.9Low144 Ų144108 Ų10867%0.67362%0.618SS**Hα-helixtrans-67.3-42.1172.9-69.9-171.5149.600112.5S62 R67 L68S62-E64 PolarHBondContact O-N 3.26Å; E64-R67 PolarHBondContact O-N 3.45Å; E64-L68 WeakPolarHBondContact O-CB 3.37Å; E64-L68 VanDerWaalsContact O-CG 3.3Å; E64-L68 WeakPolarHBondContact O-CG 3.44Å; E64-L68 PolarHBondContact O-N 3.02Å
65T76.4Confident63Low62 Ų62104.4 Ų104.438%0.3860%0.601SS.*Hα-helixtrans-65.5-41175.3-51.20000110.8V61 S62 R67 L68 L69V61-T65 HydrophobicContact CG1-CG2 3.54Å; S62-T65 WeakPolarHBondContact O-CA 3.31Å; S62-T65 WeakPolarHBondContact O-CB 3.43Å; S62-T65 PolarHBondContact O-N 3.2Å; T65-R67 VanDerWaalsContact C-N 3.35Å; T65-R67 PolarHBondContact O-N 3.34Å; T65-L68 PolarHBondContact O-N 2.88Å; T65-L69 HydrophobicContact CG2-CD1 4.15Å; T65-L69 HydrophobicContact CG2-CG 4.49Å; T65-L69 WeakPolarHBondContact O-CB 3.4Å; T65-L69 VanDerWaalsContact O-CG 3.23Å; T65-L69 WeakPolarHBondContact O-CG 3.33Å; T65-L69 PolarHBondContact O-N 3.42Å
66M72Confident64Low82 Ų8299 Ų9940%0.40458%0.578SS.*Hα-helixtrans-62.9-38.8172.3-93.9-170.6-8400112.5V61 S62 A70V61-M66 VanDerWaalsContact O-CE 3.31Å; V61-M66 WeakPolarHBondContact O-CE 3.31Å; S62-M66 PolarHBondContact O-N 3.47Å; M66-A70 VanDerWaalsContact O-CB 3.26Å; M66-A70 WeakPolarHBondContact O-CB 3.27Å; M66-A70 PolarHBondContact O-N 3.14Å
67R70.9Confident64.9Low172 Ų17299 Ų9965%0.64958%0.579SS**Hα-helixtrans-65.4-43.5174.4-83.2178.4162.2178.7-3112.4A63 E64 T65 A70 S71 V80A63-R67 WeakPolarHBondContact O-CB 3.09Å; A63-R67 WeakPolarHBondContact O-CG 3.45Å; A63-R67 PolarHBondContact O-N 2.63Å; E64-R67 PolarHBondContact O-N 3.45Å; T65-R67 VanDerWaalsContact C-N 3.35Å; T65-R67 PolarHBondContact O-N 3.34Å; R67-A70 PolarHBondContact O-N 2.93Å; R67-S71 WeakPolarHBondContact O-CB 3.37Å; R67-S71 PolarHBondContact O-N 2.94Å; R67-V80 HydrophobicContact CG-CG1 3.88Å
68L72.8Confident66.1Low128 Ų128100.4 Ų100.467%0.6757%0.573SS**Hα-helixtrans-63.7-43176.4-73.5172.2000111.4E64 T65 S71 S72E64-L68 WeakPolarHBondContact O-CB 3.37Å; E64-L68 VanDerWaalsContact O-CG 3.3Å; E64-L68 WeakPolarHBondContact O-CG 3.44Å; E64-L68 PolarHBondContact O-N 3.02Å; T65-L68 PolarHBondContact O-N 2.88Å; L68-S71 PolarHBondContact O-N 3.37Å; L68-S72 PolarHBondContact O-N 2.99Å
69L75.4Confident66.9Low84 Ų8499.1 Ų99.144%0.4456%0.556SS.*Hα-helixtrans-64-46.2174.2-70.3172.3000110.9T65 S71 S72 Y73T65-L69 HydrophobicContact CG2-CD1 4.15Å; T65-L69 HydrophobicContact CG2-CG 4.49Å; T65-L69 WeakPolarHBondContact O-CB 3.4Å; T65-L69 VanDerWaalsContact O-CG 3.23Å; T65-L69 WeakPolarHBondContact O-CG 3.33Å; T65-L69 PolarHBondContact O-N 3.42Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 2.97Å; L69-S72 WeakPolarHBondContact O-CA 3.37Å; L69-S72 WeakPolarHBondContact O-CB 3.45Å; L69-S72 PolarHBondContact O-N 3.5Å; L69-S72 PolarHBondContact O-OG 3.33Å; L69-Y73 WeakPolarHBondContact O-CD2 3.3Å; L69-Y73 PolarHBondContact O-N 3.38Å; L69-Y73 VanDerWaalsContact O-N 3.1Å
70A72.8Confident67.2Low11 Ų1195.1 Ų95.19%0.09153%0.527CS..Hα-helixtrans-61-38.4177.700000113M66 R67 S72 Y73 G74 L75 V80M66-A70 VanDerWaalsContact O-CB 3.26Å; M66-A70 WeakPolarHBondContact O-CB 3.27Å; M66-A70 PolarHBondContact O-N 3.14Å; R67-A70 PolarHBondContact O-N 2.93Å; A70-S72 VanDerWaalsContact C-N 3.33Å; A70-Y73 PolarHBondContact O-N 3.1Å; A70-G74 PolarHBondContact O-N 3.31Å; A70-L75 HydrophobicContact CB-CB 4.26Å; A70-L75 HydrophobicContact CB-CD1 4.36Å; A70-L75 PolarHBondContact O-N 2.85Å; A70-V80 HydrophobicContact CB-CG2 3.37Å
71S68.9Low67.4Low99 Ų9988.7 Ų88.769%0.69251%0.507SS*.Hα-helixtrans-64.5-35.5171.7-101.90000112.4R67 L68 L69 Y73 G74R67-S71 WeakPolarHBondContact O-CB 3.37Å; R67-S71 PolarHBondContact O-N 2.94Å; L68-S71 PolarHBondContact O-N 3.37Å; L69-S71 VanDerWaalsContact C-N 3.32Å; L69-S71 PolarHBondContact O-N 2.97Å; S71-Y73 VanDerWaalsContact C-N 3.3Å; S71-Y73 PolarHBondContact O-N 2.99Å; S71-G74 PolarHBondContact O-N 3.21Å
72S73.6Confident67.1Low82 Ų8288.8 Ų88.857%0.57352%0.515SS*.Hα-helixtrans-67.8-2917679.40000113.2L68 L69 A70L68-S72 PolarHBondContact O-N 2.99Å; L69-S72 WeakPolarHBondContact O-CA 3.37Å; L69-S72 WeakPolarHBondContact O-CB 3.45Å; L69-S72 PolarHBondContact O-N 3.5Å; L69-S72 PolarHBondContact O-OG 3.33Å; A70-S72 VanDerWaalsContact C-N 3.33Å
73Y71.3Confident66Low179 Ų17989.1 Ų89.170%0.70252%0.522SS*.THydrogen-bonded Turntrans-93.94.6178.1-67.2-69.8000114.3L69 A70 S71 L75L69-Y73 WeakPolarHBondContact O-CD2 3.3Å; L69-Y73 PolarHBondContact O-N 3.38Å; L69-Y73 VanDerWaalsContact O-N 3.1Å; A70-Y73 PolarHBondContact O-N 3.1Å; S71-Y73 VanDerWaalsContact C-N 3.3Å; S71-Y73 PolarHBondContact O-N 2.99Å; Y73-L75 PolarHBondContact O-N 3.05Å
74G68.5Low65Low69 Ų6990.2 Ų90.271%0.71152%0.522SS*.THydrogen-bonded Turntrans6723.2178.600000114.1A70 S71A70-G74 PolarHBondContact O-N 3.31Å; S71-G74 PolarHBondContact O-N 3.21Å
75L66.5Low63.9Low91 Ų9187.1 Ų87.148%0.47652%0.522SS..  trans-72.8133.6176.3-76.9165.5000110.1A70 Y73 L79A70-L75 HydrophobicContact CB-CB 4.26Å; A70-L75 HydrophobicContact CB-CD1 4.36Å; A70-L75 PolarHBondContact O-N 2.85Å; Y73-L75 PolarHBondContact O-N 3.05Å; L75-L79 HydrophobicContact CD2-CD1 4.33Å
76A59Low62.4Low41 Ų4195.2 Ų95.234%0.33955%0.545SS..  trans-63.1137.5177.500000110.5H78 L79A76-H78 WeakPolarHBondContact CB-ND1 3.44Å; A76-H78 PolarHBondContact O-N 3.46Å; A76-L79 PolarHBondContact O-N 3.46Å
77P60.8Low60.9Low112 Ų11298.3 Ų98.373%0.72756%0.563SS**Hα-helixtrans-60.1-22.4-172.618.2-30.1000114.7L79 V80P77-L79 VanDerWaalsContact C-N 3.3Å; P77-L79 PolarHBondContact O-N 2.92Å; P77-V80 PolarHBondContact O-N 3.05Å
78H65.1Low59.5Low136 Ų13697.4 Ų97.463%0.6357%0.571SS**Hα-helixtrans-69.7-25.4175.876.9-83.7000113.3A76A76-H78 WeakPolarHBondContact CB-ND1 3.44Å; A76-H78 PolarHBondContact O-N 3.46Å
79L55.7Low58.3Low95 Ų9597.5 Ų97.550%0.49758%0.577SS.*Hα-helixtrans-78.5-24.8178-62.8-179.4000112.3L75 A76 P77L75-L79 HydrophobicContact CD2-CD1 4.33Å; A76-L79 PolarHBondContact O-N 3.46Å; P77-L79 VanDerWaalsContact C-N 3.3Å; P77-L79 PolarHBondContact O-N 2.92Å
80V56.8Low56.5Low27 Ų27100.9 Ų100.916%0.16460%0.595CS.*Hα-helixtrans-73.1-30.9177.5-178.40000111.7R67 A70 P77 A82 A83R67-V80 HydrophobicContact CG-CG1 3.88Å; A70-V80 HydrophobicContact CB-CG2 3.37Å; P77-V80 PolarHBondContact O-N 3.05Å; V80-A82 VanDerWaalsContact C-N 3.33Å; V80-A82 PolarHBondContact O-N 3.49Å; V80-A83 PolarHBondContact O-N 3.13Å
81A52.7Low54.9Low58 Ų58106.3 Ų106.348%0.47963%0.63SS.*Hα-helixtrans-70.7-26.1178.800000113.6A83A81-A83 VanDerWaalsContact C-N 3.32Å; A81-A83 PolarHBondContact O-N 3.29Å
82A53.4Low53.5Low72 Ų72107 Ų10760%0.59563%0.634SS**Hα-helixtrans-74-22.7179.300000113.1V80V80-A82 VanDerWaalsContact C-N 3.33Å; V80-A82 PolarHBondContact O-N 3.49Å
83A49.7Very low51.7Low73 Ų73110.7 Ų110.760%0.60365%0.647SS**Hα-helixtrans-81.8-25.4-178.700000113.3V80 A81V80-A83 PolarHBondContact O-N 3.13Å; A81-A83 VanDerWaalsContact C-N 3.32Å; A81-A83 PolarHBondContact O-N 3.29Å
84T51.4Low50.1Low77 Ų77110.9 Ų110.947%0.47265%0.654SS.*Hα-helixtrans-99.9-5.6-175.561.10000113.9
85A47.6Very low48.9Very low80 Ų80115.7 Ų115.766%0.66166%0.658SS**THydrogen-bonded Turntrans-97.919.3-173.200000114.8
86R44.7Very low47.4Very low232 Ų232121 Ų12188%0.87568%0.678SS**THydrogen-bonded Turntrans-122.412.7180-75.5-163.1164.6151.5-0.9115.8
87L41.6Very low46.1Very low146 Ų146129.8 Ų129.876%0.76470%0.702SS**SBendtrans-117.870.3174.3-73.8157000108.2
88D41.7Very low45.2Very low154 Ų154129.1 Ų129.182%0.82471%0.706SS**  trans-175.4127.9150.6-99.7-29.8000109.2
89T46.4Very low43.9Very low130 Ų130130.9 Ų130.980%0.79871%0.712SS**SBendtrans115.5108.916470.40000117.3
90N38.7Very low43.4Very low155 Ų155130.7 Ų130.783%0.82972%0.717SS**  trans76.2112.7153.5-78.2-55.4000120.3
91P38.6Very low42.5Very low125 Ų125138.3 Ų138.381%0.81275%0.75SS**  trans-92.7114.9161.634.3-23.7000109.8
92S39.3Very low41.8Very low113 Ų113139.5 Ų139.579%0.7977%0.768SS**  trans176.5100.3152.3-177.60000108.9
93L36.7Very low41Very low159 Ų159144.3 Ų144.383%0.83278%0.776SS**  179.8107.9128.4-154.584.8000108.4Q95L93-Q95 PolarHBondContact O-N 3.03Å
94E37.8Very low40.4Very low184 Ų184145.6 Ų145.686%0.8679%0.786SS**  trans-55.3110.7162.4-75.9-93.7134.700110.9
95Q42.7Very low40Very low169 Ų169147.2 Ų147.279%0.7979%0.791SS**  trans175.7148.5140.2-105.1167.1-12.300110.2L93L93-Q95 PolarHBondContact O-N 3.03Å
96F36Very low39.6Very low203 Ų203146.9 Ų146.989%0.8980%0.795SS**  trans90.169.7-178.7-59.7-79.1000116.5
97R31.6Very low39.3Very low226 Ų226144.1 Ų144.185%0.85379%0.79SS**  trans-86.8106.3152.3-177.1179.1-1701582109
98A40.4Very low39.3Very low97 Ų97148 Ų14880%0.80280%0.796SS**  trans-155.7125156.200000110.4
99F38Very low39.5Very low174 Ų174147.1 Ų147.176%0.76380%0.799SS**  trans-65.3-173.3-176.8-83.3-81.4000114.8
100P45.3Very low39.2Very low91 Ų91143.8 Ų143.859%0.59179%0.79SS**  -137.2-161.8-8137.8-13.7000112.5
101H39Very low39.4Very low187 Ų187144.2 Ų144.287%0.86679%0.791SS**  trans88.3124.3163.5-61.9-62.9000120.7
102G36.5Very low39.4Very low83 Ų83142.9 Ų142.986%0.85679%0.785SS**  trans104.290145.200000116.6
103F37.6Very low39.3Very low173 Ų173143.9 Ų143.976%0.75979%0.792SS**  trans-128.8107.5164.8150.9-88.8000108.6L105F103-L105 HydrophobicContact CD2-CD1 4.17Å; F103-L105 HydrophobicContact CD2-CD2 4.39Å; F103-L105 HydrophobicContact CD2-CG 3.76Å; F103-L105 HydrophobicContact CE2-CB 4.22Å; F103-L105 HydrophobicContact CE2-CD1 3.14Å; F103-L105 HydrophobicContact CE2-CD2 4.12Å; F103-L105 HydrophobicContact CE2-CG 3.18Å; F103-L105 HydrophobicContact CZ-CB 4.31Å; F103-L105 HydrophobicContact CZ-CD1 3.5Å; F103-L105 VanDerWaalsContact CZ-CD1 3.5Å; F103-L105 HydrophobicContact CZ-CG 3.7Å
104A36.5Very low39.6Very low99 Ų99142.4 Ų142.482%0.81879%0.79SS**  trans-114.3118.116400000106.2
105L43.9Very low39.4Very low112 Ų112139 Ų13959%0.58679%0.787SS**  trans-105.1106.8169.9-76.1-177.5000110F103 F107F103-L105 HydrophobicContact CD2-CD1 4.17Å; F103-L105 HydrophobicContact CD2-CD2 4.39Å; F103-L105 HydrophobicContact CD2-CG 3.76Å; F103-L105 HydrophobicContact CE2-CB 4.22Å; F103-L105 HydrophobicContact CE2-CD1 3.14Å; F103-L105 HydrophobicContact CE2-CD2 4.12Å; F103-L105 HydrophobicContact CE2-CG 3.18Å; F103-L105 HydrophobicContact CZ-CB 4.31Å; F103-L105 HydrophobicContact CZ-CD1 3.5Å; F103-L105 VanDerWaalsContact CZ-CD1 3.5Å; F103-L105 HydrophobicContact CZ-CG 3.7Å; L105-F107 HydrophobicContact CB-CD2 4.26Å; L105-F107 HydrophobicContact CB-CE2 4.42Å; L105-F107 HydrophobicContact CD1-CD2 4.29Å; L105-F107 HydrophobicContact CD1-CE2 3.83Å; L105-F107 HydrophobicContact CD2-CD2 4.28Å; L105-F107 HydrophobicContact CD2-CE2 3.67Å; L105-F107 HydrophobicContact CD2-CZ 4.44Å; L105-F107 HydrophobicContact CG-CE2 4.17Å
106G38.3Very low39.2Very low72 Ų72137.4 Ų137.474%0.74279%0.788SS**  trans-93.7125.315100000108.6
107F39.9Very low39.5Very low175 Ų175132.3 Ų132.377%0.76878%0.783SS**  trans-119.5109.3167.9-89.6-78.4000109L105L105-F107 HydrophobicContact CB-CD2 4.26Å; L105-F107 HydrophobicContact CB-CE2 4.42Å; L105-F107 HydrophobicContact CD1-CD2 4.29Å; L105-F107 HydrophobicContact CD1-CE2 3.83Å; L105-F107 HydrophobicContact CD2-CD2 4.28Å; L105-F107 HydrophobicContact CD2-CE2 3.67Å; L105-F107 HydrophobicContact CD2-CZ 4.44Å; L105-F107 HydrophobicContact CG-CE2 4.17Å
108Y41.2Very low39.7Very low228 Ų228125.6 Ų125.689%0.89478%0.777SS**  trans-96.5127155.5-82-90000107.4
109P45.9Very low39.7Very low135 Ų135126.5 Ų126.588%0.87778%0.777SS**  trans-91.4107.5164.931.9-23.2000108.4
110G39.1Very low39.7Very low59 Ų59124.4 Ų124.461%0.60878%0.778SS**  trans-120.7116.5174.400000111
111L43.5Very low39.8Very low165 Ų165128.6 Ų128.686%0.86480%0.795SS**  trans76.3126.1143.5-65.3126.8000120.6
112S38.3Very low39.5Very low97 Ų97127.7 Ų127.768%0.67879%0.791SS**  trans6998.6137.547.90000119.2
113S37.7Very low40.1Very low133 Ų133132.6 Ų132.693%0.9379%0.794SS**  trans-89.7102.2150.4-530000108.9
114T41.6Very low40.3Very low128 Ų128133.4 Ų133.479%0.78580%0.797SS**  trans-102.7129.316144.70000109.4
115S34.8Very low40.2Very low114 Ų114132.7 Ų132.780%0.79779%0.791SS**  trans-34.1138172.5162.80000117.5
116T39Very low40.2Very low135 Ų135131.6 Ų131.683%0.82880%0.799SS**  trans-156.1124.6143.7130000112.9
117A40.4Very low40.6Very low95 Ų95133.7 Ų133.779%0.78580%0.797SS**  trans62151.314300000119.5
118A36.3Very low40.7Very low86 Ų86133.1 Ų133.171%0.71180%0.802SS**  cis177.4128.4-17.800000103.2
119S41.5Very low40.8Very low115 Ų115125.3 Ų125.380%0.80479%0.791SS**  trans-175.782.8158.6-79.30000107.9
120T38.1Very low41.1Very low130 Ų130127.7 Ų127.780%0.79879%0.793SS**  35.7106.8110.7149.10000114.9
121L46.3Very low41.4Very low180 Ų180130.1 Ų130.194%0.94280%0.798SS**  trans-157.5135.4135.3-106.2157.8000109.4
122E33.5Very low41.2Very low167 Ų167127 Ų12778%0.7880%0.796SS**  trans-101.1135-157.5178.2-168.6147.500110
123M49.7Very low41.2Very low187 Ų187128.1 Ų128.192%0.92180%0.798SS**  trans-154.197.2147.5-140.9115.3-17900112
124K41.1Very low41.5Very low189 Ų189129.9 Ų129.982%0.82280%0.796SS**  54.3114.6128.5-15476.2173.6166.70120.2
125A33.7Very low41.7Very low84 Ų84128 Ų12869%0.69479%0.788SS**  trans-77157.3173.300000116
126A43.9Very low41.8Very low90 Ų90128.5 Ų128.574%0.74479%0.792SS**  trans-164.696.6139.100000106.5
127T47Very low41.9Very low115 Ų115129.3 Ų129.371%0.70679%0.787SS**  50.897.687.469.90000113.7
128D42.3Very low42.1Very low163 Ų163130.7 Ų130.787%0.87279%0.785SS**  167.1134.9113-93.6-40.7000112.4
129G43.3Very low42.7Very low65 Ų65133.1 Ų133.167%0.6778%0.782SS**  trans90101134.900000120.3
130M51.8Low42.6Very low185 Ų185133.7 Ų133.791%0.91178%0.781SS**  trans92.3148.7133.7-58.3-57.1-93.400120.2
131P44.7Very low43.1Very low110 Ų110133.1 Ų133.171%0.71477%0.772SS**  trans-103.6169-144.839.4-33.1000114.9V133P131-V133 PolarHBondContact O-N 3.44Å
132A39.9Very low43.2Very low99 Ų99129.3 Ų129.382%0.81876%0.758SS**  trans-37.8112174.600000115.6
133V38.9Very low43.6Very low121 Ų121126.6 Ų126.673%0.73377%0.765SS**  trans-160.7109.2143.1172.40000107P131P131-V133 PolarHBondContact O-N 3.44Å
134L44Very low43.7Very low169 Ų169125.4 Ų125.489%0.88575%0.751SS**  trans-164.586.5145.3-129.378.9000106.3
135S45.7Very low44.2Very low89 Ų89127 Ų12762%0.62275%0.753SS**  67.791.495.4-600000111.6Q137S135-Q137 PolarHBondContact O-N 2.66Å; S135-Q137 VanDerWaalsContact O-N 3.16Å
136S36.5Very low45.3Very low125 Ų125129 Ų12987%0.87475%0.752SS**  trans10.892.5135.2-48.70000115
137Q41.3Very low45.8Very low152 Ų152128.1 Ų128.171%0.7173%0.734SS**  trans-130.673.8153.3-157.6173.180.900108S135 Q139S135-Q137 PolarHBondContact O-N 2.66Å; S135-Q137 VanDerWaalsContact O-N 3.16Å; Q137-Q139 HydrophobicContact CG-CG 3.95Å; Q137-Q139 PolarHBondContact O-N 2.98Å; Q137-Q139 VanDerWaalsContact OE1-NE2 3.16Å
138T45.6Very low46.8Very low124 Ų124127.6 Ų127.676%0.76173%0.733SS**  trans-5991.8152.543.70000106.6T140T138-T140 VanDerWaalsContact C-N 3.29Å; T138-T140 PolarHBondContact O-N 3.44Å
139Q48.3Very low48Very low136 Ų136124.2 Ų124.264%0.63672%0.718SS**  trans-65.5100.5166.1-68.2-175.822.200106.2Q137 L141Q137-Q139 HydrophobicContact CG-CG 3.95Å; Q137-Q139 PolarHBondContact O-N 2.98Å; Q137-Q139 VanDerWaalsContact OE1-NE2 3.16Å; Q139-L141 VanDerWaalsContact C-N 3.27Å; Q139-L141 PolarHBondContact O-N 3.35Å
140T39.2Very low49.1Very low127 Ų127125.7 Ų125.778%0.77971%0.71SS**  trans-63.190.8167.452.40000107T138T138-T140 VanDerWaalsContact C-N 3.29Å; T138-T140 PolarHBondContact O-N 3.44Å
141L49Very low49.8Very low118 Ų118119.4 Ų119.462%0.61868%0.682SS**  trans-73.4130.3168-64.9-178.1000107.9Q139 A143Q139-L141 VanDerWaalsContact C-N 3.27Å; Q139-L141 PolarHBondContact O-N 3.35Å; L141-A143 PolarHBondContact O-N 3.42Å
142P47.3Very low50.7Low101 Ų101116.3 Ų116.366%0.65667%0.666SS**  trans-61.9132.6-179.825.8-31.6000108.5Y144P142-Y144 WeakPolarHBondContact O-CD1 3.23Å; P142-Y144 WeakPolarHBondContact O-CE1 3.37Å; P142-Y144 PolarHBondContact O-N 2.83Å
143A43.6Very low52Low110 Ų110114.4 Ų114.491%0.90965%0.646SS**  trans-6381.4177.500000110.6L141 Y145L141-A143 PolarHBondContact O-N 3.42Å; A143-Y145 PolarHBondContact O-N 3.23Å
144Y51.2Low53.2Low162 Ų162116.7 Ų116.764%0.63564%0.643SS**  trans-76.1104.6165.644.9-93.1000107.7P142 L146P142-Y144 WeakPolarHBondContact O-CD1 3.23Å; P142-Y144 WeakPolarHBondContact O-CE1 3.37Å; P142-Y144 PolarHBondContact O-N 2.83Å; Y144-L146 PolarHBondContact O-N 2.87Å
145Y51.6Low54Low223 Ų223114.7 Ų114.788%0.87563%0.629SS**  trans29.969.6148.8-151.3-92.2000115.6A143A143-Y145 PolarHBondContact O-N 3.23Å
146L56.7Low54.6Low125 Ų125119.5 Ų119.565%0.65464%0.635SS**  trans-98.1116.5161.9-125.681.8000108Y144Y144-L146 PolarHBondContact O-N 2.87Å
147D54.2Low55.8Low72 Ų72116 Ų11639%0.38561%0.613SS.*  trans-56122.3-179.3-167.5-35.4000110.5T149 L150 T151D147-T149 PolarHBondContact O-N 2.91Å; D147-T149 WeakPolarHBondContact OD1-CB 3.5Å; D147-T149 VanDerWaalsContact OD1-CG2 3.31Å; D147-T149 WeakPolarHBondContact OD1-CG2 3.26Å; D147-T149 PolarHBondContact OD1-N 3.36Å; D147-T149 PolarHBondContact OD1-OG1 3.45Å; D147-T149 PolarHBondContact OD2-OG1 3.48Å; D147-L150 HydrophobicContact CB-CD1 4.49Å; D147-L150 PolarHBondContact O-N 3.41Å; D147-T151 PolarHBondContact O-N 3.36Å
148P67Low56.7Low104 Ų104110.6 Ų110.668%0.67560%0.595SS**Hα-helixtrans-53.6-23.8177.6-26.934.6000113.8A152P148-A152 VanDerWaalsContact O-CB 3.27Å; P148-A152 WeakPolarHBondContact O-CB 3.08Å; P148-A152 PolarHBondContact O-N 2.97Å
149T68.4Low57.3Low92 Ų92111 Ų11156%0.56459%0.592SS**Hα-helixtrans-70.3-38.2178.164.20000112.7D147 S153D147-T149 PolarHBondContact O-N 2.91Å; D147-T149 WeakPolarHBondContact OD1-CB 3.5Å; D147-T149 VanDerWaalsContact OD1-CG2 3.31Å; D147-T149 WeakPolarHBondContact OD1-CG2 3.26Å; D147-T149 PolarHBondContact OD1-N 3.36Å; D147-T149 PolarHBondContact OD1-OG1 3.45Å; D147-T149 PolarHBondContact OD2-OG1 3.48Å; T149-S153 PolarHBondContact O-N 2.84Å
150L65.3Low57.8Low96 Ų96114.9 Ų114.950%0.50360%0.601SS.*Hα-helixtrans-73.8-43.8178-77.5170.1000110.7D147 A152 S153 Y154D147-L150 HydrophobicContact CB-CD1 4.49Å; D147-L150 PolarHBondContact O-N 3.41Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 2.64Å; L150-S153 WeakPolarHBondContact O-CB 3.42Å; L150-S153 PolarHBondContact O-N 3.01Å; L150-S153 PolarHBondContact O-OG 3.03Å; L150-Y154 WeakPolarHBondContact O-CD2 2.93Å; L150-Y154 PolarHBondContact O-N 3.07Å
151T66.4Low58.7Low53 Ų53117.5 Ų117.533%0.32560%0.602SS.*Hα-helixtrans-59.3-43.9174.5-57.20000110.9D147 S153 Y154 H155D147-T151 PolarHBondContact O-N 3.36Å; T151-S153 VanDerWaalsContact C-N 3.31Å; T151-S153 PolarHBondContact O-N 3.43Å; T151-Y154 PolarHBondContact O-N 3.34Å; T151-H155 PolarHBondContact O-CD2 3Å; T151-H155 PolarHBondContact O-N 3.1Å
152A64.7Low59.1Low44 Ų44116.1 Ų116.136%0.36460%0.599SS.*Hα-helixtrans-59-41.7173.800000112.1P148 L150 Y154 H155 Y156P148-A152 VanDerWaalsContact O-CB 3.27Å; P148-A152 WeakPolarHBondContact O-CB 3.08Å; P148-A152 PolarHBondContact O-N 2.97Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 2.64Å; A152-Y154 PolarHBondContact O-N 3.27Å; A152-H155 PolarHBondContact O-N 3.09Å; A152-Y156 WeakPolarHBondContact O-CD2 3.3Å; A152-Y156 PolarHBondContact O-N 3.41Å
153S68.1Low59.4Low59 Ų59116.8 Ų116.841%0.41360%0.597SS.*Hα-helixtrans-63.5-38.5177.8810000113T149 L150 T151 A157T149-S153 PolarHBondContact O-N 2.84Å; L150-S153 WeakPolarHBondContact O-CB 3.42Å; L150-S153 PolarHBondContact O-N 3.01Å; L150-S153 PolarHBondContact O-OG 3.03Å; T151-S153 VanDerWaalsContact C-N 3.31Å; T151-S153 PolarHBondContact O-N 3.43Å; S153-A157 VanDerWaalsContact O-CB 3.25Å; S153-A157 WeakPolarHBondContact O-CB 3.48Å; S153-A157 PolarHBondContact O-N 3.35Å
154Y63.3Low60.1Low170 Ų170117.2 Ų117.267%0.66759%0.59SS**Hα-helixtrans-71.5-36175.9-79.3-73.8000112.2L150 T151 A152 A157 A158L150-Y154 WeakPolarHBondContact O-CD2 2.93Å; L150-Y154 PolarHBondContact O-N 3.07Å; T151-Y154 PolarHBondContact O-N 3.34Å; A152-Y154 PolarHBondContact O-N 3.27Å; Y154-A157 PolarHBondContact O-N 3.38Å; Y154-A158 WeakPolarHBondContact O-CB 3.44Å; Y154-A158 PolarHBondContact O-N 3.45Å
155H61.5Low60.4Low127 Ų127116.4 Ų116.459%0.58860%0.596SS**Hα-helixtrans-67.5-41.1174.9-82.2-106000112T151 A152 A157 D159T151-H155 PolarHBondContact O-CD2 3Å; T151-H155 PolarHBondContact O-N 3.1Å; A152-H155 PolarHBondContact O-N 3.09Å; H155-A157 PolarHBondContact O-N 3.23Å; H155-D159 PolarHBondContact O-N 3.3Å
156Y57.5Low60.4Low190 Ų190108.4 Ų108.475%0.74557%0.569SS**Hα-helixtrans-68.1-32.2173.6-83.8-71.6000113.4A152A152-Y156 WeakPolarHBondContact O-CD2 3.3Å; A152-Y156 PolarHBondContact O-N 3.41Å
157A61.5Low60.6Low50 Ų50109.2 Ų109.241%0.41357%0.573SS.*Hα-helixtrans-77.5-37.8177.200000112.2S153 Y154 H155 R160 F161S153-A157 VanDerWaalsContact O-CB 3.25Å; S153-A157 WeakPolarHBondContact O-CB 3.48Å; S153-A157 PolarHBondContact O-N 3.35Å; Y154-A157 PolarHBondContact O-N 3.38Å; H155-A157 PolarHBondContact O-N 3.23Å; A157-R160 PolarHBondContact O-N 3.19Å; A157-F161 PolarHBondContact O-N 3.16Å
158A60.6Low60.7Low40 Ų40110.8 Ų110.833%0.33158%0.581SS.*Hα-helixtrans-62.3-48.3176.900000110.7Y154 R160 F161 T162Y154-A158 WeakPolarHBondContact O-CB 3.44Å; Y154-A158 PolarHBondContact O-N 3.45Å; A158-R160 PolarHBondContact O-N 2.91Å; A158-F161 PolarHBondContact O-N 3.42Å; A158-T162 HydrophobicContact CB-CG2 4.08Å; A158-T162 WeakPolarHBondContact O-CB 3.36Å; A158-T162 WeakPolarHBondContact O-CG2 3.34Å; A158-T162 PolarHBondContact O-N 3.16Å; A158-T162 PolarHBondContact O-OG1 3.02Å
159D58.3Low60Low131 Ų131107.3 Ų107.370%0.70156%0.561SS**Hα-helixtrans-62-18.9-179.7-81.9-20.7000114.4H155H155-D159 PolarHBondContact O-N 3.3Å
160R58.1Low59.3Low219 Ų219106.5 Ų106.583%0.82656%0.564SS**Hα-helixtrans-84.6-20.7173-78.1-168-173.4-169.75.2114.2A157 A158A157-R160 PolarHBondContact O-N 3.19Å; A158-R160 PolarHBondContact O-N 2.91Å
161F58.4Low58.7Low182 Ų182111.1 Ų111.180%0.79857%0.574SS**Hα-helixtrans-119.8-16.2-172.8-83.7-84000114.6A157 A158A157-F161 PolarHBondContact O-N 3.16Å; A158-F161 PolarHBondContact O-N 3.42Å
162T57.8Low58.3Low89 Ų89116.6 Ų116.655%0.54659%0.589SS.*SBendtrans-90.3-3.2-174.554.60000115A158 P164A158-T162 HydrophobicContact CB-CG2 4.08Å; A158-T162 WeakPolarHBondContact O-CB 3.36Å; A158-T162 WeakPolarHBondContact O-CG2 3.34Å; A158-T162 PolarHBondContact O-N 3.16Å; A158-T162 PolarHBondContact O-OG1 3.02Å; T162-P164 VanDerWaalsContact C-CD 3.45Å; T162-P164 VanDerWaalsContact O-CD 3.3Å; T162-P164 WeakPolarHBondContact O-CD 3.28Å
163N53.4Low57.9Low115 Ų115122.1 Ų122.162%0.61561%0.605SS**  trans-121.474.7178.7-117.72.2000113.1L165N163-L165 PolarHBondContact O-N 3.38Å
164P57Low57.1Low119 Ų119125.5 Ų125.577%0.77362%0.619SS**THydrogen-bonded Turntrans-71.110.9176.930.1-33.8000114.1T162T162-P164 VanDerWaalsContact C-CD 3.45Å; T162-P164 VanDerWaalsContact O-CD 3.3Å; T162-P164 WeakPolarHBondContact O-CD 3.28Å
165L58.7Low56.9Low145 Ų145121.2 Ų121.276%0.75962%0.618SS**THydrogen-bonded Turntrans-122.93.6-176.8-76.1165.9000114.3N163 L167N163-L165 PolarHBondContact O-N 3.38Å; L165-L167 PolarHBondContact O-N 3.05Å
166D52.3Low57.2Low55 Ų55118.4 Ų118.429%0.29461%0.61SS.*  trans-82.664.9176.4-157.3-5.3000111.4N168 A169 A170 R172D166-N168 PolarHBondContact O-N 3.42Å; D166-N168 VanDerWaalsContact OD1-C 3.29Å; D166-N168 VanDerWaalsContact OD1-CA 3.31Å; D166-N168 WeakPolarHBondContact OD1-CA 3.29Å; D166-N168 WeakPolarHBondContact OD1-CB 3.33Å; D166-N168 PolarHBondContact OD1-N 3.24Å; D166-A169 HydrophobicContact CB-CB 3.92Å; D166-A169 VanDerWaalsContact CG-CB 3.48Å; D166-A169 WeakPolarHBondContact O-CB 3.4Å; D166-A169 PolarHBondContact O-N 2.96Å; D166-A169 PolarHBondContact OD1-N 3.02Å; D166-A169 WeakPolarHBondContact OD2-CB 3.38Å; D166-A170 PolarHBondContact O-N 3.33Å; D166-R172 IonicContact OD1-NH2 3.68Å; D166-R172 IonicContact OD2-NH2 2.75Å; D166-R172 PolarHBondContact OD2-NH2 3.18Å
167L61Low57.8Low141 Ų141118.2 Ų118.274%0.73861%0.608SS**Hα-helixtrans-53.8-19.4164.1-88.3103.9000111.5L165 R171L165-L167 PolarHBondContact O-N 3.05Å; L167-R171 PolarHBondContact O-N 3.15Å
168N55.6Low58.5Low106 Ų106121.9 Ų121.957%0.56762%0.616SS**Hα-helixtrans-81.8-19.9176.9-153.535.6000112.7D166 R172D166-N168 PolarHBondContact O-N 3.42Å; D166-N168 VanDerWaalsContact OD1-C 3.29Å; D166-N168 VanDerWaalsContact OD1-CA 3.31Å; D166-N168 WeakPolarHBondContact OD1-CA 3.29Å; D166-N168 WeakPolarHBondContact OD1-CB 3.33Å; D166-N168 PolarHBondContact OD1-N 3.24Å; N168-R172 WeakPolarHBondContact O-CG 3.26Å; N168-R172 PolarHBondContact O-NE 3.03Å; N168-R172 VanDerWaalsContact O-NE 3.09Å
169A52.9Low59.5Low31 Ų31121.9 Ų121.926%0.25661%0.613SS.*Hα-helixtrans-78.2-33.916700000112.5D166 R171 R172D166-A169 HydrophobicContact CB-CB 3.92Å; D166-A169 VanDerWaalsContact CG-CB 3.48Å; D166-A169 WeakPolarHBondContact O-CB 3.4Å; D166-A169 PolarHBondContact O-N 2.96Å; D166-A169 PolarHBondContact OD1-N 3.02Å; D166-A169 WeakPolarHBondContact OD2-CB 3.38Å; A169-R171 VanDerWaalsContact C-N 3.25Å; A169-R171 PolarHBondContact O-N 2.86Å; A169-R172 PolarHBondContact O-N 3.47Å
170A52.3Low61.1Low75 Ų75116.3 Ų116.362%0.6258%0.583SS**Hα-helixtrans-65.3-31.3171.400000111.7D166 R172D166-A170 PolarHBondContact O-N 3.33Å; A170-R172 VanDerWaalsContact C-N 3.28Å; A170-R172 PolarHBondContact O-N 3.42Å
171R53.5Low62.8Low192 Ų192107.7 Ų107.773%0.72556%0.559SS**THydrogen-bonded Turntrans-73.6-14.3174-136.2176.2-166.5-109.31.9114.4L167 A169 K173L167-R171 PolarHBondContact O-N 3.15Å; A169-R171 VanDerWaalsContact C-N 3.25Å; A169-R171 PolarHBondContact O-N 2.86Å; R171-K173 PolarHBondContact O-N 3.46Å
172R57.8Low64.4Low168 Ų16899.3 Ų99.363%0.63452%0.523SS*.THydrogen-bonded Turntrans-89.811.8-173.5-85.9-177.2-79.3157.7-6.2114.5D166 N168 A169 A170D166-R172 IonicContact OD1-NH2 3.68Å; D166-R172 IonicContact OD2-NH2 2.75Å; D166-R172 PolarHBondContact OD2-NH2 3.18Å; N168-R172 WeakPolarHBondContact O-CG 3.26Å; N168-R172 PolarHBondContact O-NE 3.03Å; N168-R172 VanDerWaalsContact O-NE 3.09Å; A169-R172 PolarHBondContact O-N 3.47Å; A170-R172 VanDerWaalsContact C-N 3.28Å; A170-R172 PolarHBondContact O-N 3.42Å
173K57.2Low66.2Low161 Ų16195 Ų9570%0.750%0.497SS*.SBendtrans-117.9114.2-169.9-73.7-177-176178.50111.9R171R171-K173 PolarHBondContact O-N 3.46Å
174N49.9Very low68.2Low130 Ų13094.9 Ų94.970%0.69549%0.491SS*.  trans75.883.3159.9-46.775000117.1T176N174-T176 HydrophobicContact CB-CG2 4.39Å; N174-T176 PolarHBondContact O-N 3.07Å
175A59.7Low70Confident79 Ų7990.5 Ų90.565%0.65347%0.465SS*.  trans-62.796.9143.900000106.7T180A175-T180 HydrophobicContact CB-CG2 4.41Å
176T68.5Low71.8Confident69 Ų6983.7 Ų83.742%0.42343%0.429SS..  trans-60.9150.117861.70000108.9N174 E178 T179N174-T176 HydrophobicContact CB-CG2 4.39Å; N174-T176 PolarHBondContact O-N 3.07Å; T176-E178 PolarHBondContact O-N 3.29Å; T176-E178 VanDerWaalsContact O-N 3.11Å; T176-T179 PolarHBondContact N-OG1 2.89Å; T176-T179 PolarHBondContact O-N 2.97Å; T176-T179 PolarHBondContact O-OG1 2.78Å; T176-T179 WeakPolarHBondContact OG1-CG2 3.14Å; T176-T179 PolarHBondContact OG1-N 3.41Å
177R69.7Low73.9Confident186 Ų18682 Ų8270%0.70242%0.42SS*.THydrogen-bonded Turntrans-50.3-39.2176.6-178.2174.7175.4-84.86.5110.8T180 A181R177-T180 PolarHBondContact O-N 2.87Å; R177-T180 PolarHBondContact O-OG1 3.08Å; R177-T180 VanDerWaalsContact O-OG1 3.09Å; R177-A181 PolarHBondContact O-N 2.93Å
178E75Confident75.4Confident126 Ų12682.7 Ų82.759%0.58941%0.414SS*.G310 helixtrans-63.8-38176.5-52.1-44128.500113.8T176 T180 A181T176-E178 PolarHBondContact O-N 3.29Å; T176-E178 VanDerWaalsContact O-N 3.11Å; E178-T180 PolarHBondContact O-N 3.48Å; E178-A181 PolarHBondContact O-N 3.05Å
179T83.3Confident77.2Confident41 Ų4181.7 Ų81.725%0.25241%0.406SS..G310 helixtrans-64.7-24.5177.8640000112.3T176 T208T176-T179 PolarHBondContact N-OG1 2.89Å; T176-T179 PolarHBondContact O-N 2.97Å; T176-T179 PolarHBondContact O-OG1 2.78Å; T176-T179 WeakPolarHBondContact OG1-CG2 3.14Å; T176-T179 PolarHBondContact OG1-N 3.41Å; T179-T208 VanDerWaalsContact O-CB 3.23Å; T179-T208 WeakPolarHBondContact O-CB 3.37Å; T179-T208 WeakPolarHBondContact O-CG2 3.2Å
180T91.5Very high79.1Confident13 Ų1382.7 Ų82.78%0.0841%0.405CS..G310 helixtrans-101.4-2.6-178.566.90000114.6A175 R177 E178 A182 L183 K184A175-T180 HydrophobicContact CB-CG2 4.41Å; R177-T180 PolarHBondContact O-N 2.87Å; R177-T180 PolarHBondContact O-OG1 3.08Å; R177-T180 VanDerWaalsContact O-OG1 3.09Å; E178-T180 PolarHBondContact O-N 3.48Å; T180-A182 PolarHBondContact O-N 3.09Å; T180-L183 HydrophobicContact CG2-CD1 4.34Å; T180-L183 WeakPolarHBondContact O-CB 3.48Å; T180-L183 PolarHBondContact O-N 3.36Å; T180-L183 VanDerWaalsContact O-N 3.11Å; T180-K184 WeakPolarHBondContact O-CG 3.32Å; T180-K184 PolarHBondContact O-N 3.29Å
181A92.8Very high80.9Confident39 Ų3983.3 Ų83.332%0.32239%0.391SS..Hα-helixtrans-58.1-47.8-176.400000112R177 E178 L183 K184 A185R177-A181 PolarHBondContact O-N 2.93Å; E178-A181 PolarHBondContact O-N 3.05Å; A181-L183 VanDerWaalsContact C-N 3.3Å; A181-L183 PolarHBondContact O-N 3.05Å; A181-K184 PolarHBondContact O-N 2.77Å; A181-A185 PolarHBondContact O-N 3.11Å
182A92.7Very high82.6Confident5 Ų583.1 Ų83.14%0.04140%0.396CS..Hα-helixtrans-61.1-36.9176.300000112.9T180 W186 L204 I207 T208T180-A182 PolarHBondContact O-N 3.09Å; A182-W186 WeakPolarHBondContact O-CB 3.13Å; A182-W186 PolarHBondContact O-N 3.25Å; A182-L204 HydrophobicContact CB-CD2 4.42Å; A182-I207 HydrophobicContact CB-CG2 3.74Å; A182-T208 HydrophobicContact CB-CG2 4.42Å
183L96.5Very high84.2Confident0 Ų079.8 Ų79.80%039%0.39CS..Hα-helixtrans-66.2-40.5177.1-60.1172.3000111.6T180 A181 L187 L204 T208 M210 V215 W218 F219T180-L183 HydrophobicContact CG2-CD1 4.34Å; T180-L183 WeakPolarHBondContact O-CB 3.48Å; T180-L183 PolarHBondContact O-N 3.36Å; T180-L183 VanDerWaalsContact O-N 3.11Å; A181-L183 VanDerWaalsContact C-N 3.3Å; A181-L183 PolarHBondContact O-N 3.05Å; L183-L187 WeakPolarHBondContact O-CB 3.25Å; L183-L187 PolarHBondContact O-N 3.35Å; L183-L204 HydrophobicContact CD2-CB 3.88Å; L183-L204 HydrophobicContact CD2-CD1 4.11Å; L183-L204 HydrophobicContact CD2-CD2 4.18Å; L183-L204 HydrophobicContact CD2-CG 4.28Å; L183-T208 HydrophobicContact CD1-CG2 4.05Å; L183-T208 HydrophobicContact CD2-CG2 3.91Å; L183-T208 HydrophobicContact CG-CG2 3.64Å; L183-M210 HydrophobicContact CD1-SD 3.94Å; L183-V215 HydrophobicContact CD2-CG1 4.06Å; L183-W218 HydrophobicContact CB-CD2 4.14Å; L183-W218 HydrophobicContact CB-CE3 3.9Å; L183-W218 HydrophobicContact CB-CH2 3.52Å; L183-W218 HydrophobicContact CB-CZ2 3.73Å; L183-W218 HydrophobicContact CB-CZ3 3.61Å; L183-W218 HydrophobicContact CD1-CD2 3.68Å; L183-W218 HydrophobicContact CD1-CE3 4.09Å; L183-W218 HydrophobicContact CD1-CG 3.86Å; L183-W218 HydrophobicContact CD1-CZ2 4.39Å; L183-W218 HydrophobicContact CG-CD2 4.44Å; L183-W218 HydrophobicContact CG-CE3 4.4Å; L183-F219 HydrophobicContact CD2-CE2 3.8Å; L183-F219 HydrophobicContact CD2-CZ 4.34Å
184K94.3Very high86.1Confident111 Ų11172.1 Ų72.148%0.48336%0.357SS..Hα-helixtrans-69.1-42.4177.8-69178.3-178.1179.40111.8T180 A181 L187 Y188 W218T180-K184 WeakPolarHBondContact O-CG 3.32Å; T180-K184 PolarHBondContact O-N 3.29Å; A181-K184 PolarHBondContact O-N 2.77Å; K184-L187 PolarHBondContact O-N 3.25Å; K184-Y188 PolarHBondContact O-N 2.95Å; K184-W218 HydrophobicContact CG-CH2 4.29Å; K184-W218 HydrophobicContact CG-CZ2 4.1Å
185A94.7Very high88.3Confident28 Ų2872.9 Ų72.923%0.23135%0.351CS..Hα-helixtrans-60.3-48.6176.100000111.2A181 L187 Y188 E189 W384A181-A185 PolarHBondContact O-N 3.11Å; A185-L187 VanDerWaalsContact C-N 3.31Å; A185-L187 PolarHBondContact O-N 2.94Å; A185-Y188 WeakPolarHBondContact O-CB 3.16Å; A185-Y188 PolarHBondContact O-N 3.41Å; A185-Y188 VanDerWaalsContact O-N 3.17Å; A185-E189 PolarHBondContact O-N 3.17Å; A185-W384 HydrophobicContact CB-CB 3.92Å
186W96.5Very high90.1Very high1 Ų169.6 Ų69.60%0.00432%0.323CS..Hα-helixtrans-58.4-43.5175.3-172.696.2000111.8A182 Y188 E189 H190 P196 E200 L204 F219 W384A182-W186 WeakPolarHBondContact O-CB 3.13Å; A182-W186 PolarHBondContact O-N 3.25Å; W186-Y188 VanDerWaalsContact C-N 3.31Å; W186-Y188 PolarHBondContact O-N 3.31Å; W186-E189 PolarHBondContact O-N 3.28Å; W186-H190 HydrophobicContact CD2-CB 4.31Å; W186-H190 AromaticContact CD2-ND1 3.78Å; W186-H190 AromaticContact CE2-CE1 3.88Å; W186-H190 AromaticContact CE2-CG 3.69Å; W186-H190 AromaticContact CE2-ND1 3.47Å; W186-H190 HydrophobicContact CE3-CB 3.99Å; W186-H190 HydrophobicContact CH2-CB 3.51Å; W186-H190 AromaticContact CH2-CG 3.7Å; W186-H190 HydrophobicContact CZ2-CB 3.85Å; W186-H190 AromaticContact CZ2-CD2 3.71Å; W186-H190 AromaticContact CZ2-CG 3.46Å; W186-H190 VanDerWaalsContact CZ2-CG 3.46Å; W186-H190 AromaticContact CZ2-ND1 3.76Å; W186-H190 HydrophobicContact CZ3-CB 3.61Å; W186-H190 AromaticContact NE1-CE1 3.66Å; W186-H190 AromaticContact NE1-ND1 3.63Å; W186-H190 WeakPolarHBondContact O-CB 3.47Å; W186-H190 PolarHBondContact O-N 3.14Å; W186-H190 PolarHBondContact O-ND1 3.19Å; W186-P196 VanDerWaalsContact CH2-CA 3.41Å; W186-P196 HydrophobicContact CH2-CB 3.61Å; W186-P196 HydrophobicContact CH2-CG 4.15Å; W186-P196 VanDerWaalsContact CH2-N 3.32Å; W186-P196 VanDerWaalsContact CZ2-CA 3.44Å; W186-P196 HydrophobicContact CZ2-CB 3.56Å; W186-P196 HydrophobicContact CZ3-CB 4.1Å; W186-P196 HydrophobicContact CZ3-CG 4.28Å; W186-E200 PolarHBondContact NE1-OE1 3.27Å; W186-L204 HydrophobicContact CB-CD1 4.33Å; W186-L204 HydrophobicContact CB-CD2 4.22Å; W186-L204 HydrophobicContact CD2-CD1 4.32Å; W186-L204 HydrophobicContact CG-CD1 4Å; W186-F219 HydrophobicContact CD2-CE1 4.32Å; W186-F219 HydrophobicContact CD2-CZ 4.07Å; W186-F219 HydrophobicContact CE3-CD1 4.44Å; W186-F219 AromaticContact CE3-CE1 3.28Å; W186-F219 HydrophobicContact CE3-CE1 3.28Å; W186-F219 AromaticContact CE3-CZ 3.45Å; W186-F219 HydrophobicContact CE3-CZ 3.45Å; W186-F219 VanDerWaalsContact CE3-CZ 3.45Å; W186-F219 HydrophobicContact CZ3-CD1 4.24Å; W186-F219 AromaticContact CZ3-CE1 3.45Å; W186-F219 HydrophobicContact CZ3-CE1 3.45Å; W186-F219 VanDerWaalsContact CZ3-CE1 3.45Å; W186-F219 AromaticContact CZ3-CZ 3.97Å; W186-F219 HydrophobicContact CZ3-CZ 3.97Å; W186-W384 HydrophobicContact CB-CD2 4.44Å; W186-W384 HydrophobicContact CB-CG 4.46Å; W186-W384 AromaticContact CD1-CD2 3.85Å; W186-W384 AromaticContact CD1-CE2 3.52Å; W186-W384 AromaticContact CD1-CH2 3.72Å; W186-W384 AromaticContact CD1-CZ2 3.46Å; W186-W384 VanDerWaalsContact CD1-CZ2 3.46Å; W186-W384 AromaticContact NE1-CZ2 3.85Å
187L95.8Very high91.4Very high19 Ų1970.2 Ų70.210%0.09933%0.327CS..Hα-helixtrans-64.8-34.2179.2-176.866.9000112.7L183 K184 A185 H190 R191 P194 W218 F219 A222L183-L187 WeakPolarHBondContact O-CB 3.25Å; L183-L187 PolarHBondContact O-N 3.35Å; K184-L187 PolarHBondContact O-N 3.25Å; A185-L187 VanDerWaalsContact C-N 3.31Å; A185-L187 PolarHBondContact O-N 2.94Å; L187-H190 CarbonylContact O-C 3.5Å; L187-R191 WeakPolarHBondContact O-CG 3.17Å; L187-R191 PolarHBondContact O-N 3.43Å; L187-P194 HydrophobicContact CD1-CB 3.59Å; L187-W218 HydrophobicContact CD2-CH2 4.13Å; L187-W218 HydrophobicContact CD2-CZ3 4.38Å; L187-F219 HydrophobicContact CD1-CE1 4.34Å; L187-A222 HydrophobicContact CD2-CB 3.96Å
188Y92.6Very high92.7Very high157 Ų15769.8 Ų69.862%0.61633%0.33SS*.Hα-helixtrans-68.2-39.8175.2-177.5-89.7000111.8K184 A185 W186 R191K184-Y188 PolarHBondContact O-N 2.95Å; A185-Y188 WeakPolarHBondContact O-CB 3.16Å; A185-Y188 PolarHBondContact O-N 3.41Å; A185-Y188 VanDerWaalsContact O-N 3.17Å; W186-Y188 VanDerWaalsContact C-N 3.31Å; W186-Y188 PolarHBondContact O-N 3.31Å; Y188-R191 VanDerWaalsContact CD2-CZ 3.47Å; Y188-R191 VanDerWaalsContact CE2-NH2 3.3Å; Y188-R191 WeakPolarHBondContact O-CG 2.94Å
189E94.1Very high93.7Very high84 Ų8465 Ų6539%0.39332%0.315SS..Hα-helixtrans-70.2-37.5176.7-167.6174.1153.400111.5A185 W186 R191 N382 W384A185-E189 PolarHBondContact O-N 3.17Å; W186-E189 PolarHBondContact O-N 3.28Å; E189-R191 PolarHBondContact O-N 2.92Å; E189-N382 PolarHBondContact OE1-ND2 3.13Å; E189-W384 PolarHBondContact OE2-NE1 3.02Å
190H92.8Very high94.3Very high53 Ų5364.4 Ų64.425%0.24531%0.309CS..THydrogen-bonded Turntrans-10237.7-177.2-64.377000113W186 L187 K192 N193 P194 E200W186-H190 HydrophobicContact CD2-CB 4.31Å; W186-H190 AromaticContact CD2-ND1 3.78Å; W186-H190 AromaticContact CE2-CE1 3.88Å; W186-H190 AromaticContact CE2-CG 3.69Å; W186-H190 AromaticContact CE2-ND1 3.47Å; W186-H190 HydrophobicContact CE3-CB 3.99Å; W186-H190 HydrophobicContact CH2-CB 3.51Å; W186-H190 AromaticContact CH2-CG 3.7Å; W186-H190 HydrophobicContact CZ2-CB 3.85Å; W186-H190 AromaticContact CZ2-CD2 3.71Å; W186-H190 AromaticContact CZ2-CG 3.46Å; W186-H190 VanDerWaalsContact CZ2-CG 3.46Å; W186-H190 AromaticContact CZ2-ND1 3.76Å; W186-H190 HydrophobicContact CZ3-CB 3.61Å; W186-H190 AromaticContact NE1-CE1 3.66Å; W186-H190 AromaticContact NE1-ND1 3.63Å; W186-H190 WeakPolarHBondContact O-CB 3.47Å; W186-H190 PolarHBondContact O-N 3.14Å; W186-H190 PolarHBondContact O-ND1 3.19Å; L187-H190 CarbonylContact O-C 3.5Å; H190-K192 PolarHBondContact O-N 2.99Å; H190-N193 CarbonylContact O-C 3.59Å; H190-N193 VanDerWaalsContact O-C 3.25Å; H190-N193 PolarHBondContact O-N 2.66Å; H190-P194 WeakPolarHBondContact O-CA 2.82Å; H190-E200 IonicContact NE2-OE1 3.89Å
191R90.6Very high94.6Very high88 Ų8866.7 Ų66.733%0.33232%0.318SS..THydrogen-bonded Turntrans-63.5-16.7176.7-64.2-97.9-140.1-146.18.7113.5L187 Y188 E189 M232 W234L187-R191 WeakPolarHBondContact O-CG 3.17Å; L187-R191 PolarHBondContact O-N 3.43Å; Y188-R191 VanDerWaalsContact CD2-CZ 3.47Å; Y188-R191 VanDerWaalsContact CE2-NH2 3.3Å; Y188-R191 WeakPolarHBondContact O-CG 2.94Å; E189-R191 PolarHBondContact O-N 2.92Å; R191-M232 HydrophobicContact CB-CE 4.08Å; R191-M232 HydrophobicContact CB-SD 4.06Å; R191-M232 VanDerWaalsContact O-CE 3.32Å; R191-M232 WeakPolarHBondContact O-CE 3.15Å; R191-M232 WeakPolarHBondContact O-CG 3.25Å; R191-W234 WeakPolarHBondContact O-CH2 3.05Å; R191-W234 WeakPolarHBondContact O-CZ2 3.33Å
192K89.3Confident94.7Very high188 Ų18868.5 Ų68.582%0.81732%0.322SS*.THydrogen-bonded Turntrans-96.7-11.9177.4-65.9-173-177.6-177.60115H190 M232 W234H190-K192 PolarHBondContact O-N 2.99Å; K192-M232 HydrophobicContact CG-CE 4.13Å; K192-W234 WeakPolarHBondContact O-CZ3 3.23Å
193N91.8Very high94.9Very high97 Ų9770.1 Ų70.152%0.51933%0.329SS..  trans-157.588.2168-170.621.7000110.2H190 Y195 W234H190-N193 CarbonylContact O-C 3.59Å; H190-N193 VanDerWaalsContact O-C 3.25Å; H190-N193 PolarHBondContact O-N 2.66Å; N193-Y195 PolarHBondContact O-N 3.36Å; N193-Y195 WeakPolarHBondContact OD1-CD2 3.49Å; N193-W234 VanDerWaalsContact N-CZ3 3.27Å
194P95.3Very high94.8Very high1 Ų170.1 Ų70.11%0.00633%0.329CS..  trans-8838.5-167.439.6-20.6000109.4L187 H190 P196 R223 W234L187-P194 HydrophobicContact CD1-CB 3.59Å; H190-P194 WeakPolarHBondContact O-CA 2.82Å; P194-P196 VanDerWaalsContact O-CD 3.24Å; P194-P196 WeakPolarHBondContact O-CD 3.41Å; P194-R223 HydrophobicContact CB-CG 4.05Å; P194-R223 HydrophobicContact CG-CG 3.62Å; P194-R223 WeakPolarHBondContact O-CD 3.47Å; P194-W234 HydrophobicContact CB-CH2 3.97Å; P194-W234 HydrophobicContact CB-CZ2 3.92Å; P194-W234 VanDerWaalsContact CD-CZ2 3.5Å; P194-W234 HydrophobicContact CG-CD2 4.38Å; P194-W234 HydrophobicContact CG-CE3 4.49Å; P194-W234 HydrophobicContact CG-CH2 3.31Å; P194-W234 HydrophobicContact CG-CZ2 3.22Å; P194-W234 HydrophobicContact CG-CZ3 3.99Å
195Y97.3Very high94.9Very high146 Ų14665.3 Ų65.357%0.57331%0.31SS*.  trans-106.789.1179.1-71.4-105.4000107.2N193 T197 R223N193-Y195 PolarHBondContact O-N 3.36Å; N193-Y195 WeakPolarHBondContact OD1-CD2 3.49Å; Y195-T197 PolarHBondContact O-N 3.03Å; Y195-R223 PolarHBondContact OH-NH1 3Å
196P96.1Very high94.9Very high10 Ų1066.4 Ų66.47%0.06531%0.311CS..  trans-62.8138.8-179.823.7-32.3000110.4W186 P194 E200 K201 F219W186-P196 VanDerWaalsContact CH2-CA 3.41Å; W186-P196 HydrophobicContact CH2-CB 3.61Å; W186-P196 HydrophobicContact CH2-CG 4.15Å; W186-P196 VanDerWaalsContact CH2-N 3.32Å; W186-P196 VanDerWaalsContact CZ2-CA 3.44Å; W186-P196 HydrophobicContact CZ2-CB 3.56Å; W186-P196 HydrophobicContact CZ3-CB 4.1Å; W186-P196 HydrophobicContact CZ3-CG 4.28Å; P194-P196 VanDerWaalsContact O-CD 3.24Å; P194-P196 WeakPolarHBondContact O-CD 3.41Å; P196-E200 HydrophobicContact CB-CB 4.09Å; P196-K201 HydrophobicContact CB-CG 3.89Å; P196-K201 HydrophobicContact CG-CD 4.42Å; P196-K201 HydrophobicContact CG-CG 3.74Å; P196-K201 VanDerWaalsContact O-CE 3.26Å; P196-K201 WeakPolarHBondContact O-CE 3.39Å; P196-F219 HydrophobicContact CG-CD1 4.07Å; P196-F219 HydrophobicContact CG-CD2 3.79Å; P196-F219 HydrophobicContact CG-CE1 4.15Å; P196-F219 HydrophobicContact CG-CE2 3.86Å; P196-F219 HydrophobicContact CG-CG 3.9Å; P196-F219 HydrophobicContact CG-CZ 4.05Å
197T97Very high94.7Very high81 Ų8167.1 Ų67.150%0.49732%0.315SS..  trans-63.1166.3174.763.40000111.1Y195 G199 E200 K201Y195-T197 PolarHBondContact O-N 3.03Å; T197-G199 VanDerWaalsContact C-N 3.26Å; T197-G199 PolarHBondContact O-N 3.41Å; T197-E200 WeakPolarHBondContact CB-OE2 3.36Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.5Å; T197-E200 PolarHBondContact N-OE2 3.26Å; T197-E200 PolarHBondContact O-N 3.47Å; T197-E200 VanDerWaalsContact OG1-CD 3.29Å; T197-E200 WeakPolarHBondContact OG1-CG 3.25Å; T197-E200 PolarHBondContact OG1-N 3.13Å; T197-E200 PolarHBondContact OG1-OE2 2.93Å; T197-K201 WeakPolarHBondContact O-CG 3.26Å; T197-K201 PolarHBondContact O-N 3.37Å
198K96.8Very high94.6Very high177 Ų17766.4 Ų66.477%0.7731%0.312SS*.Hα-helixtrans-57.3-41.5177.8-172.8178.3179.6-177.10111.6I202K198-I202 HydrophobicContact CG-CD1 4.38Å; K198-I202 WeakPolarHBondContact O-CD1 3.49Å; K198-I202 VanDerWaalsContact O-CG1 3.32Å; K198-I202 WeakPolarHBondContact O-CG1 3.46Å; K198-I202 PolarHBondContact O-N 3.06Å
199G95.4Very high94.6Very high27 Ų2765.1 Ų65.128%0.27831%0.309SS..Hα-helixtrans-65.3-47.1177.700000112.5T197 K201 I202 M203T197-G199 VanDerWaalsContact C-N 3.26Å; T197-G199 PolarHBondContact O-N 3.41Å; G199-K201 PolarHBondContact O-N 2.74Å; G199-I202 WeakPolarHBondContact O-CB 3.11Å; G199-I202 PolarHBondContact O-N 2.82Å; G199-I202 VanDerWaalsContact O-N 3.15Å; G199-M203 WeakPolarHBondContact O-CG 3.49Å; G199-M203 PolarHBondContact O-N 3.25Å
200E96.4Very high94.6Very high27 Ų2762.8 Ų62.813%0.12630%0.299CS..Hα-helixtrans-63.2-40.2178.5-68.8167.912600112.6W186 H190 P196 T197 I202 M203 L204 W384W186-E200 PolarHBondContact NE1-OE1 3.27Å; H190-E200 IonicContact NE2-OE1 3.89Å; P196-E200 HydrophobicContact CB-CB 4.09Å; T197-E200 WeakPolarHBondContact CB-OE2 3.36Å; T197-E200 WeakPolarHBondContact CG2-OE2 3.5Å; T197-E200 PolarHBondContact N-OE2 3.26Å; T197-E200 PolarHBondContact O-N 3.47Å; T197-E200 VanDerWaalsContact OG1-CD 3.29Å; T197-E200 WeakPolarHBondContact OG1-CG 3.25Å; T197-E200 PolarHBondContact OG1-N 3.13Å; T197-E200 PolarHBondContact OG1-OE2 2.93Å; E200-I202 VanDerWaalsContact C-N 3.27Å; E200-I202 PolarHBondContact O-N 3.01Å; E200-M203 HydrophobicContact CB-CE 4.4Å; E200-M203 HydrophobicContact CG-CE 3.95Å; E200-M203 PolarHBondContact O-N 2.97Å; E200-L204 WeakPolarHBondContact O-CB 3.31Å; E200-L204 VanDerWaalsContact O-CG 3.25Å; E200-L204 WeakPolarHBondContact O-CG 3.47Å; E200-L204 PolarHBondContact O-N 2.72Å; E200-W384 HydrophobicContact CG-CH2 4.24Å
201K97Very high94.7Very high61 Ų6163.4 Ų63.427%0.26531%0.306SS..Hα-helixtrans-60.5-39.1175-71.6-178.8-177.81750112.1P196 T197 G199 A205 L212P196-K201 HydrophobicContact CB-CG 3.89Å; P196-K201 HydrophobicContact CG-CD 4.42Å; P196-K201 HydrophobicContact CG-CG 3.74Å; P196-K201 VanDerWaalsContact O-CE 3.26Å; P196-K201 WeakPolarHBondContact O-CE 3.39Å; T197-K201 WeakPolarHBondContact O-CG 3.26Å; T197-K201 PolarHBondContact O-N 3.37Å; G199-K201 PolarHBondContact O-N 2.74Å; K201-A205 VanDerWaalsContact O-CB 3.26Å; K201-A205 WeakPolarHBondContact O-CB 3.32Å; K201-A205 PolarHBondContact O-N 2.94Å; K201-L212 HydrophobicContact CB-CD1 3.53Å; K201-L212 HydrophobicContact CD-CD1 4.45Å
202I96.1Very high95Very high77 Ų7763.2 Ų63.240%0.39531%0.311SS..Hα-helixtrans-66.7-48.4176.3-67.2165.2000109.8K198 G199 E200 L204 A205 I206K198-I202 HydrophobicContact CG-CD1 4.38Å; K198-I202 WeakPolarHBondContact O-CD1 3.49Å; K198-I202 VanDerWaalsContact O-CG1 3.32Å; K198-I202 WeakPolarHBondContact O-CG1 3.46Å; K198-I202 PolarHBondContact O-N 3.06Å; G199-I202 WeakPolarHBondContact O-CB 3.11Å; G199-I202 PolarHBondContact O-N 2.82Å; G199-I202 VanDerWaalsContact O-N 3.15Å; E200-I202 VanDerWaalsContact C-N 3.27Å; E200-I202 PolarHBondContact O-N 3.01Å; I202-L204 PolarHBondContact O-N 2.86Å; I202-A205 WeakPolarHBondContact O-CB 3.45Å; I202-A205 PolarHBondContact O-N 3.5Å; I202-I206 HydrophobicContact CG2-CD1 3.89Å; I202-I206 VanDerWaalsContact O-CG1 3.32Å; I202-I206 WeakPolarHBondContact O-CG1 3.42Å; I202-I206 PolarHBondContact O-N 3.43Å
203M95.6Very high95.3Very high39 Ų3959 Ų5919%0.19230%0.302CS..Hα-helixtrans-55.5-54.6176.5-68.9-170.4-68.100110.4G199 E200 A205 I206 I207 W384G199-M203 WeakPolarHBondContact O-CG 3.49Å; G199-M203 PolarHBondContact O-N 3.25Å; E200-M203 HydrophobicContact CB-CE 4.4Å; E200-M203 HydrophobicContact CG-CE 3.95Å; E200-M203 PolarHBondContact O-N 2.97Å; M203-A205 VanDerWaalsContact C-N 3.31Å; M203-A205 PolarHBondContact O-N 3.15Å; M203-I206 WeakPolarHBondContact O-CB 3.49Å; M203-I206 PolarHBondContact O-N 3.42Å; M203-I207 WeakPolarHBondContact O-CG1 2.95Å; M203-I207 PolarHBondContact O-N 2.92Å; M203-W384 HydrophobicContact CE-CH2 3.86Å; M203-W384 HydrophobicContact CE-CZ3 4.26Å
204L96Very high95.5Very high0 Ų058.4 Ų58.40%030%0.296CS..Hα-helixtrans-57.8-40.1179-68.6170.5000112.9A182 L183 W186 E200 I202 I206 I207 T208 V215 F219 W384A182-L204 HydrophobicContact CB-CD2 4.42Å; L183-L204 HydrophobicContact CD2-CB 3.88Å; L183-L204 HydrophobicContact CD2-CD1 4.11Å; L183-L204 HydrophobicContact CD2-CD2 4.18Å; L183-L204 HydrophobicContact CD2-CG 4.28Å; W186-L204 HydrophobicContact CB-CD1 4.33Å; W186-L204 HydrophobicContact CB-CD2 4.22Å; W186-L204 HydrophobicContact CD2-CD1 4.32Å; W186-L204 HydrophobicContact CG-CD1 4Å; E200-L204 WeakPolarHBondContact O-CB 3.31Å; E200-L204 VanDerWaalsContact O-CG 3.25Å; E200-L204 WeakPolarHBondContact O-CG 3.47Å; E200-L204 PolarHBondContact O-N 2.72Å; I202-L204 PolarHBondContact O-N 2.86Å; L204-I206 VanDerWaalsContact C-N 3.29Å; L204-I206 PolarHBondContact O-N 3.29Å; L204-I207 HydrophobicContact CD2-CD1 4.36Å; L204-I207 PolarHBondContact O-N 3.27Å; L204-T208 VanDerWaalsContact O-CB 3.31Å; L204-T208 WeakPolarHBondContact O-CB 3.47Å; L204-T208 WeakPolarHBondContact O-CG2 3.33Å; L204-T208 PolarHBondContact O-N 3.01Å; L204-T208 PolarHBondContact O-OG1 3.25Å; L204-V215 HydrophobicContact CB-CG1 4.2Å; L204-F219 HydrophobicContact CD1-CE2 3.61Å; L204-F219 HydrophobicContact CD1-CZ 3.72Å; L204-W384 HydrophobicContact CD2-CE3 4.1Å; L204-W384 HydrophobicContact CD2-CZ3 4.31Å
205A95.5Very high95.6Very high10 Ų1058.4 Ų58.48%0.08330%0.296CS..Hα-helixtrans-60.4-40.5175.500000112K201 I202 M203 K209 M210 V215K201-A205 VanDerWaalsContact O-CB 3.26Å; K201-A205 WeakPolarHBondContact O-CB 3.32Å; K201-A205 PolarHBondContact O-N 2.94Å; I202-A205 WeakPolarHBondContact O-CB 3.45Å; I202-A205 PolarHBondContact O-N 3.5Å; M203-A205 VanDerWaalsContact C-N 3.31Å; M203-A205 PolarHBondContact O-N 3.15Å; A205-K209 WeakPolarHBondContact O-CA 3.46Å; A205-K209 PolarHBondContact O-N 3.47Å; A205-K209 VanDerWaalsContact O-N 3.14Å; A205-M210 CarbonylContact C-O 3.25Å; A205-M210 WeakPolarHBondContact CB-O 3.45Å; A205-M210 PolarHBondContact O-N 3.18Å; A205-M210 VanDerWaalsContact O-N 3.13Å; A205-M210 VanDerWaalsContact O-O 3.07Å; A205-V215 HydrophobicContact CB-CG2 3.87Å
206I94.6Very high95.6Very high51 Ų5153.9 Ų53.926%0.26229%0.285SS..Hα-helixtrans-66.9-46.9178.3-63.5164.5000110.9I202 M203 L204 K209 M392 R395I202-I206 HydrophobicContact CG2-CD1 3.89Å; I202-I206 VanDerWaalsContact O-CG1 3.32Å; I202-I206 WeakPolarHBondContact O-CG1 3.42Å; I202-I206 PolarHBondContact O-N 3.43Å; M203-I206 WeakPolarHBondContact O-CB 3.49Å; M203-I206 PolarHBondContact O-N 3.42Å; L204-I206 VanDerWaalsContact C-N 3.29Å; L204-I206 PolarHBondContact O-N 3.29Å; I206-K209 PolarHBondContact O-N 3.37Å; I206-M392 HydrophobicContact CB-CE 3.78Å; I206-M392 HydrophobicContact CB-SD 4.25Å; I206-M392 HydrophobicContact CD1-CE 3.53Å; I206-M392 HydrophobicContact CD1-SD 4.43Å; I206-M392 HydrophobicContact CG1-CE 4.25Å; I206-M392 HydrophobicContact CG2-CE 3.46Å; I206-M392 VanDerWaalsContact CG2-CE 3.46Å; I206-M392 HydrophobicContact CG2-CG 4.37Å; I206-M392 HydrophobicContact CG2-SD 3.25Å; I206-M392 WeakPolarHBondContact CG2-SD 3.12Å; I206-R395 PolarHBondContact O-NH1 3.03Å
207I92.2Very high95.6Very high16 Ų1657.5 Ų57.58%0.08231%0.307CS..Hα-helixtrans-62.6-48.2-177-57.2166000111.6A182 M203 L204 K209 A388 S391A182-I207 HydrophobicContact CB-CG2 3.74Å; M203-I207 WeakPolarHBondContact O-CG1 2.95Å; M203-I207 PolarHBondContact O-N 2.92Å; L204-I207 HydrophobicContact CD2-CD1 4.36Å; L204-I207 PolarHBondContact O-N 3.27Å; I207-K209 PolarHBondContact O-N 2.92Å; I207-A388 HydrophobicContact CD1-CB 3.1Å; I207-A388 HydrophobicContact CG1-CB 3.68Å; I207-S391 WeakPolarHBondContact CA-OG 3Å; I207-S391 PolarHBondContact O-OG 3.06Å
208T93.9Very high95.6Very high5 Ų556.1 Ų56.13%0.03129%0.293CS..Hα-helixtrans-81.1-8.4-173.661.20000112.3T179 A182 L183 L204 M210T179-T208 VanDerWaalsContact O-CB 3.23Å; T179-T208 WeakPolarHBondContact O-CB 3.37Å; T179-T208 WeakPolarHBondContact O-CG2 3.2Å; A182-T208 HydrophobicContact CB-CG2 4.42Å; L183-T208 HydrophobicContact CD1-CG2 4.05Å; L183-T208 HydrophobicContact CD2-CG2 3.91Å; L183-T208 HydrophobicContact CG-CG2 3.64Å; L204-T208 VanDerWaalsContact O-CB 3.31Å; L204-T208 WeakPolarHBondContact O-CB 3.47Å; L204-T208 WeakPolarHBondContact O-CG2 3.33Å; L204-T208 PolarHBondContact O-N 3.01Å; L204-T208 PolarHBondContact O-OG1 3.25Å; T208-M210 PolarHBondContact O-N 3.11Å; T208-M210 WeakPolarHBondContact OG1-CB 3.41Å; T208-M210 WeakPolarHBondContact OG1-CG 3.33Å; T208-M210 PolarHBondContact OG1-N 2.92Å
209K93.5Very high95.7Very high130 Ų13047.9 Ų47.957%0.56526%0.257SS*.THydrogen-bonded Turntrans57.928.4-172.7-48.5-171.2177.7171.20113.1A205 I206 I207 R395A205-K209 WeakPolarHBondContact O-CA 3.46Å; A205-K209 PolarHBondContact O-N 3.47Å; A205-K209 VanDerWaalsContact O-N 3.14Å; I206-K209 PolarHBondContact O-N 3.37Å; I207-K209 PolarHBondContact O-N 2.92Å; K209-R395 VanDerWaalsContact CA-NH2 3.3Å; K209-R395 VanDerWaalsContact CG-NH2 3.33Å
210M93Very high95.7Very high35 Ų3547.5 Ų47.517%0.17225%0.252CS..  trans-99.7156.5177.4-63.7173.96600110.3L183 A205 T208 Q214 V215L183-M210 HydrophobicContact CD1-SD 3.94Å; A205-M210 CarbonylContact C-O 3.25Å; A205-M210 WeakPolarHBondContact CB-O 3.45Å; A205-M210 PolarHBondContact O-N 3.18Å; A205-M210 VanDerWaalsContact O-N 3.13Å; A205-M210 VanDerWaalsContact O-O 3.07Å; T208-M210 PolarHBondContact O-N 3.11Å; T208-M210 WeakPolarHBondContact OG1-CB 3.41Å; T208-M210 WeakPolarHBondContact OG1-CG 3.33Å; T208-M210 PolarHBondContact OG1-N 2.92Å; M210-Q214 HydrophobicContact CB-CB 3.99Å; M210-Q214 HydrophobicContact CE-CB 3.69Å; M210-V215 HydrophobicContact CB-CG2 3.93Å
211T95.8Very high95.7Very high65 Ų6549.3 Ų49.340%0.39926%0.262SS..  trans-69.9154.3170.372.10000110.3T213 Q214 V215T211-T213 PolarHBondContact O-N 2.92Å; T211-Q214 WeakPolarHBondContact O-CA 3.34Å; T211-Q214 WeakPolarHBondContact O-CB 3.21Å; T211-Q214 PolarHBondContact O-N 3.26Å; T211-Q214 VanDerWaalsContact OG1-CG 3.28Å; T211-Q214 WeakPolarHBondContact OG1-CG 3.39Å; T211-Q214 PolarHBondContact OG1-N 3.07Å; T211-Q214 VanDerWaalsContact OG1-N 3.12Å; T211-V215 PolarHBondContact O-N 3.17Å
212L95.3Very high95.6Very high84 Ų8447 Ų4744%0.4425%0.254SS..Hα-helixtrans-53.4-38.3175.3-177.461.6000111.8K201 V215 S216K201-L212 HydrophobicContact CB-CD1 3.53Å; K201-L212 HydrophobicContact CD-CD1 4.45Å; L212-V215 PolarHBondContact O-N 3.19Å; L212-S216 WeakPolarHBondContact O-CB 3.3Å; L212-S216 PolarHBondContact O-N 2.87Å
213T96.6Very high95.6Very high101 Ų10146.6 Ų46.662%0.6225%0.248SC*.Hα-helixtrans-62.9-45.6174.5-51.40000111.7T211 V215 S216 T217T211-T213 PolarHBondContact O-N 2.92Å; T213-V215 PolarHBondContact O-N 3.36Å; T213-S216 PolarHBondContact O-N 3.12Å; T213-T217 WeakPolarHBondContact O-CB 3.35Å; T213-T217 PolarHBondContact O-N 2.95Å; T213-T217 PolarHBondContact O-OG1 3.17Å
214Q96.4Very high95.5Very high84 Ų8452.7 Ų52.739%0.39327%0.269SS..Hα-helixtrans-61.9-43.4177.3-75.2172.4-36.500111.7M210 T211 T217 W218M210-Q214 HydrophobicContact CB-CB 3.99Å; M210-Q214 HydrophobicContact CE-CB 3.69Å; T211-Q214 WeakPolarHBondContact O-CA 3.34Å; T211-Q214 WeakPolarHBondContact O-CB 3.21Å; T211-Q214 PolarHBondContact O-N 3.26Å; T211-Q214 VanDerWaalsContact OG1-CG 3.28Å; T211-Q214 WeakPolarHBondContact OG1-CG 3.39Å; T211-Q214 PolarHBondContact OG1-N 3.07Å; T211-Q214 VanDerWaalsContact OG1-N 3.12Å; Q214-T217 PolarHBondContact O-N 3.42Å; Q214-W218 VanDerWaalsContact O-CB 3.29Å; Q214-W218 WeakPolarHBondContact O-CB 3.37Å; Q214-W218 PolarHBondContact O-N 2.73Å
215V97.2Very high95.3Very high0 Ų059.9 Ų59.90%030%0.296CS..Hα-helixtrans-61.6-46.7174.6175.90000110.9L183 L204 A205 M210 T211 L212 T213 T217 W218 F219L183-V215 HydrophobicContact CD2-CG1 4.06Å; L204-V215 HydrophobicContact CB-CG1 4.2Å; A205-V215 HydrophobicContact CB-CG2 3.87Å; M210-V215 HydrophobicContact CB-CG2 3.93Å; T211-V215 PolarHBondContact O-N 3.17Å; L212-V215 PolarHBondContact O-N 3.19Å; T213-V215 PolarHBondContact O-N 3.36Å; V215-T217 PolarHBondContact O-N 3.04Å; V215-W218 WeakPolarHBondContact O-CB 3.32Å; V215-W218 PolarHBondContact O-N 2.76Å; V215-F219 HydrophobicContact CG1-CD2 3.8Å; V215-F219 HydrophobicContact CG1-CE2 3.82Å; V215-F219 WeakPolarHBondContact O-CD2 3.15Å; V215-F219 PolarHBondContact O-N 2.98Å
216S96.9Very high94.9Very high51 Ų5159.7 Ų59.736%0.35729%0.293SS..Hα-helixtrans-58.8-47.1177.7-170.10000112.2L212 T213 W218 F219 A220L212-S216 WeakPolarHBondContact O-CB 3.3Å; L212-S216 PolarHBondContact O-N 2.87Å; T213-S216 PolarHBondContact O-N 3.12Å; S216-W218 VanDerWaalsContact C-N 3.33Å; S216-W218 PolarHBondContact O-N 3.29Å; S216-F219 PolarHBondContact O-N 3.31Å; S216-A220 PolarHBondContact O-N 3.42Å
217T96.8Very high94.3Very high86 Ų8665.1 Ų65.153%0.52832%0.315SS..Hα-helixtrans-63.9-39.1176.7-61.50000111.6T213 Q214 V215 A220 N221T213-T217 WeakPolarHBondContact O-CB 3.35Å; T213-T217 PolarHBondContact O-N 2.95Å; T213-T217 PolarHBondContact O-OG1 3.17Å; Q214-T217 PolarHBondContact O-N 3.42Å; V215-T217 PolarHBondContact O-N 3.04Å; T217-A220 PolarHBondContact O-N 3.45Å; T217-N221 PolarHBondContact O-N 3.27Å
218W97.4Very high93.8Very high53 Ų5373.7 Ų73.720%0.20135%0.352CS..Hα-helixtrans-60.2-49.3175.8-173.298.7000111L183 K184 L187 Q214 V215 S216 A220 N221 A222L183-W218 HydrophobicContact CB-CD2 4.14Å; L183-W218 HydrophobicContact CB-CE3 3.9Å; L183-W218 HydrophobicContact CB-CH2 3.52Å; L183-W218 HydrophobicContact CB-CZ2 3.73Å; L183-W218 HydrophobicContact CB-CZ3 3.61Å; L183-W218 HydrophobicContact CD1-CD2 3.68Å; L183-W218 HydrophobicContact CD1-CE3 4.09Å; L183-W218 HydrophobicContact CD1-CG 3.86Å; L183-W218 HydrophobicContact CD1-CZ2 4.39Å; L183-W218 HydrophobicContact CG-CD2 4.44Å; L183-W218 HydrophobicContact CG-CE3 4.4Å; K184-W218 HydrophobicContact CG-CH2 4.29Å; K184-W218 HydrophobicContact CG-CZ2 4.1Å; L187-W218 HydrophobicContact CD2-CH2 4.13Å; L187-W218 HydrophobicContact CD2-CZ3 4.38Å; Q214-W218 VanDerWaalsContact O-CB 3.29Å; Q214-W218 WeakPolarHBondContact O-CB 3.37Å; Q214-W218 PolarHBondContact O-N 2.73Å; V215-W218 WeakPolarHBondContact O-CB 3.32Å; V215-W218 PolarHBondContact O-N 2.76Å; S216-W218 VanDerWaalsContact C-N 3.33Å; S216-W218 PolarHBondContact O-N 3.29Å; W218-A220 VanDerWaalsContact C-N 3.32Å; W218-A220 PolarHBondContact O-N 3.45Å; W218-N221 PolarHBondContact O-N 3.26Å; W218-A222 HydrophobicContact CE3-CB 4.06Å; W218-A222 HydrophobicContact CH2-CB 4.14Å; W218-A222 HydrophobicContact CZ3-CB 3.83Å; W218-A222 WeakPolarHBondContact O-CB 3.38Å; W218-A222 PolarHBondContact O-N 2.75Å
219F97.6Very high92.6Very high3 Ų378.1 Ų78.11%0.01337%0.372CS..Hα-helixtrans-64.1-35176.6-86.8-75.8000112.8L183 W186 L187 P196 L204 V215 S216 R223L183-F219 HydrophobicContact CD2-CE2 3.8Å; L183-F219 HydrophobicContact CD2-CZ 4.34Å; W186-F219 HydrophobicContact CD2-CE1 4.32Å; W186-F219 HydrophobicContact CD2-CZ 4.07Å; W186-F219 HydrophobicContact CE3-CD1 4.44Å; W186-F219 AromaticContact CE3-CE1 3.28Å; W186-F219 HydrophobicContact CE3-CE1 3.28Å; W186-F219 AromaticContact CE3-CZ 3.45Å; W186-F219 HydrophobicContact CE3-CZ 3.45Å; W186-F219 VanDerWaalsContact CE3-CZ 3.45Å; W186-F219 HydrophobicContact CZ3-CD1 4.24Å; W186-F219 AromaticContact CZ3-CE1 3.45Å; W186-F219 HydrophobicContact CZ3-CE1 3.45Å; W186-F219 VanDerWaalsContact CZ3-CE1 3.45Å; W186-F219 AromaticContact CZ3-CZ 3.97Å; W186-F219 HydrophobicContact CZ3-CZ 3.97Å; L187-F219 HydrophobicContact CD1-CE1 4.34Å; P196-F219 HydrophobicContact CG-CD1 4.07Å; P196-F219 HydrophobicContact CG-CD2 3.79Å; P196-F219 HydrophobicContact CG-CE1 4.15Å; P196-F219 HydrophobicContact CG-CE2 3.86Å; P196-F219 HydrophobicContact CG-CG 3.9Å; P196-F219 HydrophobicContact CG-CZ 4.05Å; L204-F219 HydrophobicContact CD1-CE2 3.61Å; L204-F219 HydrophobicContact CD1-CZ 3.72Å; V215-F219 HydrophobicContact CG1-CD2 3.8Å; V215-F219 HydrophobicContact CG1-CE2 3.82Å; V215-F219 WeakPolarHBondContact O-CD2 3.15Å; V215-F219 PolarHBondContact O-N 2.98Å; S216-F219 PolarHBondContact O-N 3.31Å; F219-R223 WeakPolarHBondContact O-CB 3.34Å; F219-R223 WeakPolarHBondContact O-CG 3.43Å; F219-R223 PolarHBondContact O-N 2.85Å; F219-R223 PolarHBondContact O-NE 3.33Å; F219-R223 VanDerWaalsContact O-NE 3.13Å
220A95.9Very high91.2Very high20 Ų2078 Ų7817%0.16538%0.378CS..Hα-helixtrans-62-44.917300000111.6S216 T217 W218 R224S216-A220 PolarHBondContact O-N 3.42Å; T217-A220 PolarHBondContact O-N 3.45Å; W218-A220 VanDerWaalsContact C-N 3.32Å; W218-A220 PolarHBondContact O-N 3.45Å; A220-R224 WeakPolarHBondContact O-CG 3.31Å; A220-R224 PolarHBondContact O-N 3.32Å
221N96.1Very high89.9Confident65 Ų6583 Ų8335%0.34840%0.398SS..Hα-helixtrans-67.9-45.6177-171.910.2000112.2T217 W218 R223 R224 R225T217-N221 PolarHBondContact O-N 3.27Å; W218-N221 PolarHBondContact O-N 3.26Å; N221-R223 VanDerWaalsContact C-N 3.33Å; N221-R223 PolarHBondContact O-N 3.48Å; N221-R224 WeakPolarHBondContact O-CB 3.43Å; N221-R224 PolarHBondContact O-N 2.9Å; N221-R224 VanDerWaalsContact O-N 3.13Å; N221-R225 PolarHBondContact ND2-NH2 3.17Å; N221-R225 WeakPolarHBondContact O-CG 3.28Å; N221-R225 PolarHBondContact O-N 2.82Å; N221-R225 PolarHBondContact OD1-NE 3.18Å
222A95Very high88Confident12 Ų1282.7 Ų82.710%0.09939%0.393CS..Hα-helixtrans-58.5-43179.600000112.1L187 W218 R224 R225 L226L187-A222 HydrophobicContact CD2-CB 3.96Å; W218-A222 HydrophobicContact CE3-CB 4.06Å; W218-A222 HydrophobicContact CH2-CB 4.14Å; W218-A222 HydrophobicContact CZ3-CB 3.83Å; W218-A222 WeakPolarHBondContact O-CB 3.38Å; W218-A222 PolarHBondContact O-N 2.75Å; A222-R224 PolarHBondContact O-N 3.09Å; A222-R225 WeakPolarHBondContact O-CB 3.29Å; A222-R225 PolarHBondContact O-N 3.45Å; A222-L226 WeakPolarHBondContact O-CB 3.49Å; A222-L226 PolarHBondContact O-N 3.27Å
223R95.3Very high86.2Confident68 Ų6883.5 Ų83.526%0.25740%0.402SS..Hα-helixtrans-65.1-37.5175.8-70.2-178.1-63.7167.43.6113.6P194 Y195 F219 N221 R225 L226 K227P194-R223 HydrophobicContact CB-CG 4.05Å; P194-R223 HydrophobicContact CG-CG 3.62Å; P194-R223 WeakPolarHBondContact O-CD 3.47Å; Y195-R223 PolarHBondContact OH-NH1 3Å; F219-R223 WeakPolarHBondContact O-CB 3.34Å; F219-R223 WeakPolarHBondContact O-CG 3.43Å; F219-R223 PolarHBondContact O-N 2.85Å; F219-R223 PolarHBondContact O-NE 3.33Å; F219-R223 VanDerWaalsContact O-NE 3.13Å; N221-R223 VanDerWaalsContact C-N 3.33Å; N221-R223 PolarHBondContact O-N 3.48Å; R223-R225 VanDerWaalsContact C-N 3.31Å; R223-L226 PolarHBondContact O-N 3.25Å; R223-K227 WeakPolarHBondContact O-CB 3.24Å; R223-K227 PolarHBondContact O-N 3.36Å
224R93.9Very high84.2Confident168 Ų16882.2 Ų82.263%0.63439%0.385SS*.Hα-helixtrans-62.5-40.6174.1-70.2177.5-163.7119.8-2.6111.2A220 N221 A222 K228A220-R224 WeakPolarHBondContact O-CG 3.31Å; A220-R224 PolarHBondContact O-N 3.32Å; N221-R224 WeakPolarHBondContact O-CB 3.43Å; N221-R224 PolarHBondContact O-N 2.9Å; N221-R224 VanDerWaalsContact O-N 3.13Å; A222-R224 PolarHBondContact O-N 3.09Å; R224-K228 PolarHBondContact O-N 3.17Å; R224-K228 VanDerWaalsContact O-N 3.11Å
225R91.8Very high82Confident151 Ų15182.2 Ų82.257%0.5740%0.395SS*.Hα-helixtrans-64.6-48.9176.1-67173.8-176.9-169.4-7.5111.2N221 A222 R223 K227 K228 E229N221-R225 PolarHBondContact ND2-NH2 3.17Å; N221-R225 WeakPolarHBondContact O-CG 3.28Å; N221-R225 PolarHBondContact O-N 2.82Å; N221-R225 PolarHBondContact OD1-NE 3.18Å; A222-R225 WeakPolarHBondContact O-CB 3.29Å; A222-R225 PolarHBondContact O-N 3.45Å; R223-R225 VanDerWaalsContact C-N 3.31Å; R225-K227 VanDerWaalsContact C-N 3.27Å; R225-K227 PolarHBondContact O-N 2.97Å; R225-K228 PolarHBondContact O-N 3.4Å; R225-E229 VanDerWaalsContact O-CG 3.31Å; R225-E229 WeakPolarHBondContact O-CG 3.37Å; R225-E229 PolarHBondContact O-N 2.86Å
226L87Confident79.6Confident5 Ų588.8 Ų88.83%0.02644%0.437CS..Hα-helixtrans-58-38.4178.8-170.859.4000112.7A222 R223 K231 M232 W234A222-L226 WeakPolarHBondContact O-CB 3.49Å; A222-L226 PolarHBondContact O-N 3.27Å; R223-L226 PolarHBondContact O-N 3.25Å; L226-K231 HydrophobicContact CD1-CB 4.03Å; L226-M232 HydrophobicContact CD1-CB 3.86Å; L226-M232 HydrophobicContact CD2-CB 3.95Å; L226-M232 HydrophobicContact CG-CB 3.74Å; L226-W234 HydrophobicContact CD2-CZ2 3.66Å
227K82.1Confident77.2Confident166 Ų16694.7 Ų94.772%0.72245%0.452SS*.Hα-helixtrans-68.7-38.2174.3-173.3176.1-179.1178.90112.6R223 R225R223-K227 WeakPolarHBondContact O-CB 3.24Å; R223-K227 PolarHBondContact O-N 3.36Å; R225-K227 VanDerWaalsContact C-N 3.27Å; R225-K227 PolarHBondContact O-N 2.97Å
228K81.6Confident74.4Confident195 Ų19598.4 Ų98.485%0.84847%0.469SS*.Hα-helixtrans-72.4-37.5-177.7-174.8176.2179.7-179.70112.3R224 R225 N230R224-K228 PolarHBondContact O-N 3.17Å; R224-K228 VanDerWaalsContact O-N 3.11Å; R225-K228 PolarHBondContact O-N 3.4Å; K228-N230 VanDerWaalsContact C-N 3.3Å; K228-N230 PolarHBondContact O-N 3.21Å
229E69.5Low71.4Confident98 Ų98104.9 Ų104.946%0.45849%0.493SS..THydrogen-bonded Turntrans-8711.4-173.868.3-169.9131.800114.7R225 K231R225-E229 VanDerWaalsContact O-CG 3.31Å; R225-E229 WeakPolarHBondContact O-CG 3.37Å; R225-E229 PolarHBondContact O-N 2.86Å; E229-K231 HydrophobicContact CB-CG 4.47Å; E229-K231 HydrophobicContact CG-CB 3.94Å; E229-K231 HydrophobicContact CG-CD 3.89Å; E229-K231 HydrophobicContact CG-CG 3.81Å; E229-K231 PolarHBondContact O-N 3.48Å; E229-K231 VanDerWaalsContact OE2-CD 3.3Å; E229-K231 WeakPolarHBondContact OE2-CD 3.36Å; E229-K231 WeakPolarHBondContact OE2-CE 3.26Å
230N64Low68.4Low128 Ų128108.7 Ų108.768%0.68452%0.52SS*.SBendtrans51.37.6-176.5-159.3-98.1000115.5K228 M232K228-N230 VanDerWaalsContact C-N 3.3Å; K228-N230 PolarHBondContact O-N 3.21Å; N230-M232 PolarHBondContact O-N 3.45Å; N230-M232 VanDerWaalsContact O-N 3.09Å
231K65.5Low66.3Low139 Ų139115.6 Ų115.660%0.60455%0.549SS*.SBendtrans-71.8-2.7179-66.1-179.3-166.2-69.70113.6L226 E229L226-K231 HydrophobicContact CD1-CB 4.03Å; E229-K231 HydrophobicContact CB-CG 4.47Å; E229-K231 HydrophobicContact CG-CB 3.94Å; E229-K231 HydrophobicContact CG-CD 3.89Å; E229-K231 HydrophobicContact CG-CG 3.81Å; E229-K231 PolarHBondContact O-N 3.48Å; E229-K231 VanDerWaalsContact OE2-CD 3.3Å; E229-K231 WeakPolarHBondContact OE2-CD 3.36Å; E229-K231 WeakPolarHBondContact OE2-CE 3.26Å
232M56.2Low64.2Low60 Ų60121.3 Ų121.330%0.29657%0.574SS.*  trans-162.2115.7168.5-14973.8-172.200111.8R191 K192 L226 N230 W234R191-M232 HydrophobicContact CB-CE 4.08Å; R191-M232 HydrophobicContact CB-SD 4.06Å; R191-M232 VanDerWaalsContact O-CE 3.32Å; R191-M232 WeakPolarHBondContact O-CE 3.15Å; R191-M232 WeakPolarHBondContact O-CG 3.25Å; K192-M232 HydrophobicContact CG-CE 4.13Å; L226-M232 HydrophobicContact CD1-CB 3.86Å; L226-M232 HydrophobicContact CD2-CB 3.95Å; L226-M232 HydrophobicContact CG-CB 3.74Å; N230-M232 PolarHBondContact O-N 3.45Å; N230-M232 VanDerWaalsContact O-N 3.09Å; M232-W234 HydrophobicContact CB-CZ2 4.41Å; M232-W234 HydrophobicContact CG-CZ2 3.98Å; M232-W234 VanDerWaalsContact O-CD1 3.29Å; M232-W234 PolarHBondContact O-N 3.49Å
233T56.8Low62.2Low100 Ų100126.4 Ų126.461%0.61360%0.599SS**  trans-78.5100170.348.70000109.6S235T233-S235 PolarHBondContact O-N 3.46Å
234W55.2Low60.1Low74 Ų74132.5 Ų132.528%0.2863%0.631SS.*  trans-71.942.1170.9-66.5101.1000113R191 K192 N193 P194 L226 M232 P236R191-W234 WeakPolarHBondContact O-CH2 3.05Å; R191-W234 WeakPolarHBondContact O-CZ2 3.33Å; K192-W234 WeakPolarHBondContact O-CZ3 3.23Å; N193-W234 VanDerWaalsContact N-CZ3 3.27Å; P194-W234 HydrophobicContact CB-CH2 3.97Å; P194-W234 HydrophobicContact CB-CZ2 3.92Å; P194-W234 VanDerWaalsContact CD-CZ2 3.5Å; P194-W234 HydrophobicContact CG-CD2 4.38Å; P194-W234 HydrophobicContact CG-CE3 4.49Å; P194-W234 HydrophobicContact CG-CH2 3.31Å; P194-W234 HydrophobicContact CG-CZ2 3.22Å; P194-W234 HydrophobicContact CG-CZ3 3.99Å; L226-W234 HydrophobicContact CD2-CZ2 3.66Å; M232-W234 HydrophobicContact CB-CZ2 4.41Å; M232-W234 HydrophobicContact CG-CZ2 3.98Å; M232-W234 VanDerWaalsContact O-CD1 3.29Å; M232-W234 PolarHBondContact O-N 3.49Å; W234-P236 WeakPolarHBondContact O-CD 3.4Å
235S50.5Low58Low84 Ų84132.2 Ų132.259%0.58764%0.642SS**  trans-64.7124.3171.2-65.90000107.1T233 R237T233-S235 PolarHBondContact O-N 3.46Å; S235-R237 PolarHBondContact O-N 2.97Å
236P47Very low56Low138 Ų138130.7 Ų130.790%0.89665%0.653SS**  trans-65.684.8165.7-11.727.4000107W234W234-P236 WeakPolarHBondContact O-CD 3.4Å
237R45Very low54.2Low175 Ų175139.8 Ų139.866%0.6670%0.695SS**  trans-112.173.5173.5-157.4173.4176.9150.8-2.2107.7S235 R239S235-R237 PolarHBondContact O-N 2.97Å; R237-R239 HydrophobicContact CG-CB 3.85Å; R237-R239 HydrophobicContact CG-CG 4.44Å; R237-R239 PolarHBondContact O-N 3.44Å
238N38.7Very low52.2Low165 Ų165139.5 Ų139.588%0.88270%0.702SS**  trans-82.175.9138-16249.5000105.7
239R34.5Very low50.6Low188 Ų188138.9 Ų138.971%0.70970%0.702SS**  trans-118.6112.4153.8-81.6-156.8178.1179.40.5104.1R237 E241R237-R239 HydrophobicContact CG-CB 3.85Å; R237-R239 HydrophobicContact CG-CG 4.44Å; R237-R239 PolarHBondContact O-N 3.44Å; R239-E241 WeakPolarHBondContact O-CG 3.12Å; R239-E241 PolarHBondContact O-N 2.89Å; R239-E241 VanDerWaalsContact O-N 3.14Å
240S35.8Very low49.6Very low84 Ų84140 Ų14059%0.58772%0.717SS**  trans-21.7110.2166.3-22.90000111.2D243S240-D243 WeakPolarHBondContact CB-OD2 3.3Å; S240-D243 PolarHBondContact OG-OD2 2.87Å
241E51Low49Very low165 Ų165143 Ų14377%0.77173%0.728SS**SBendtrans-95.516.8164.2-48.5-175.7-174.500109.1R239R239-E241 WeakPolarHBondContact O-CG 3.12Å; R239-E241 PolarHBondContact O-N 2.89Å; R239-E241 VanDerWaalsContact O-N 3.14Å
242E51.2Low48.1Very low184 Ų184140.8 Ų140.886%0.8674%0.735SS**SBendtrans-118.611.1-175.1-65.4-178.7164.400113.5
243D52.9Low47.7Very low119 Ų119142.6 Ų142.664%0.63676%0.759SS**  trans-111.226.9-178.3-67-43.8000114.3S240S240-D243 WeakPolarHBondContact CB-OD2 3.3Å; S240-D243 PolarHBondContact OG-OD2 2.87Å
244E51.1Low47.3Very low196 Ų196145.4 Ų145.492%0.91677%0.771SS**SBendtrans-97.421.1174.4-68.9-155.9144.100114.8
245D50.7Low46.7Very low163 Ų163145.9 Ų145.987%0.87280%0.799SS**  trans-124.728.3179.9-113.1-19000115.2
246C50.9Low46.4Very low119 Ų119146.6 Ų146.680%0.80481%0.809SS**  trans-112.722.6178.4-73.20000115
247Q48Very low46.6Very low195 Ų195145.2 Ų145.291%0.91180%0.803SS**  trans-105.863.6171.6-72.4173.5900111.5
248N41.2Very low46.7Very low160 Ų160142.7 Ų142.786%0.85681%0.812SS**  trans-149.280.4154.5-114.5-15.8000108.8
249Q47.8Very low47Very low182 Ų182138.2 Ų138.285%0.8581%0.805SS**  trans-71.7126.3171.5-138-179.391.700107.9Q251Q249-Q251 PolarHBondContact O-N 3.29Å
250P48.2Very low47.4Very low121 Ų121134.2 Ų134.279%0.78681%0.812SS**  trans-73.5115.4-176.328.6-31000109.3A252P250-A252 PolarHBondContact O-N 2.91Å
251Q51.2Low48.3Very low193 Ų193135.9 Ų135.990%0.90282%0.824SS**  trans-68.6122.6166.7-75.1-170.8-39.700108.8Q249Q249-Q251 PolarHBondContact O-N 3.29Å
252A47.5Very low48.2Very low92 Ų92133.1 Ų133.176%0.7682%0.82SS**  trans-51.9136.3179.700000112.1P250 D254P250-A252 PolarHBondContact O-N 2.91Å; A252-D254 PolarHBondContact O-N 3.16Å
253A45.8Very low48Very low97 Ų97129.7 Ų129.780%0.80282%0.817SS**  trans-83.7102.2-178.600000111.1
254D49.9Very low48Very low160 Ų160133 Ų13386%0.85683%0.828SS**  trans-125.569.4165.2-58.9-12.1000108.8A252A252-D254 PolarHBondContact O-N 3.16Å
255G42.9Very low47.8Very low84 Ų84127.2 Ų127.287%0.86681%0.814SS**  trans-97107.5175.500000111.3
256A44Very low47.7Very low98 Ų98126.6 Ų126.681%0.8181%0.809SS**  trans-111.7121.6167.200000110.9
257S49.8Very low47.5Very low109 Ų109128.5 Ų128.576%0.76281%0.81SS**  trans83.7118.1146.1-158.40000121
258S48.4Very low47.3Very low122 Ų122126.3 Ų126.385%0.85381%0.805SS**  trans74.5128.814972.60000117.4
259G44.4Very low47.5Very low72 Ų72123.2 Ų123.274%0.74279%0.793SS**  cis174.9165.6300000109.2
260A43.2Very low47.4Very low103 Ų103121 Ų12185%0.85179%0.793SS**  trans80.980.2162.600000119.8
261S53.7Low47.3Very low119 Ų119120.6 Ų120.683%0.83279%0.79SS**  50160.2102.2-114.30000122.1
262P49.5Very low46.9Very low108 Ų108119 Ų11970%0.70179%0.787SS**  -137-179.9-104.634.2-10.3000113.8
263S47.4Very low46.8Very low112 Ų112122.5 Ų122.578%0.78379%0.788SS**  trans-165.1109.9156.3-720000108.3
264E52.7Low47.1Very low188 Ų188123.9 Ų123.988%0.87978%0.781SS**  68.5132.993.9-61-101.2139.700111.7
265A47.8Very low46.9Very low74 Ų74124.4 Ų124.461%0.61278%0.779SS**  cis-177.7178.7-0.400000106.6
266I47.3Very low47Very low151 Ų151129.2 Ų129.277%0.77478%0.779SS**  trans92.393.2160.4-49.5164.6000114.9
267L46.8Very low47.3Very low158 Ų158130.5 Ų130.583%0.82778%0.779SS**  7492.481.3-72.1160.4000115.3
268N43.4Very low47Very low150 Ų150131.7 Ų131.780%0.80278%0.777SS**  40164.4113-120.728.2000121.3
269P46.1Very low47.1Very low94 Ų94133.5 Ų133.561%0.6178%0.777SS**  -127.4-178.8-89.337.9-19.1000113.3
270T46.6Very low47.2Very low137 Ų137136.4 Ų136.484%0.8478%0.775SS**  trans146.3147.2137.146.20000113.7
271P44.2Very low47.4Very low112 Ų112139.6 Ų139.673%0.72777%0.77SS**  trans-104.4148.8-168.638-27.4000113.1
272D43.8Very low47Very low158 Ų158141.3 Ų141.385%0.84577%0.77SS**  trans-165.7137.9150.6-106.3-31.9000111.6
273E45.2Very low47Very low167 Ų167143.1 Ų143.178%0.7877%0.769SS**  trans77.4138.9147.9-125.2-177.7139.700121.5
274L51.2Low46.9Very low125 Ų125145.7 Ų145.765%0.65477%0.774SS**  trans109.9104.1151.4-54.5178.5000119.3
275E46.8Very low46.8Very low172 Ų172142.2 Ų142.280%0.80477%0.765SS**  94.5112.3125.4-66.3179.5-168.900120.2
276E44.5Very low46.6Very low184 Ų184146.8 Ų146.886%0.8677%0.774SS**  trans-60.7154.4160.6-63.6-93.4138.700111.4
277P51.4Low46.7Very low125 Ų125147 Ų14781%0.81278%0.775SS**  -139.9146.3117.433.8-19.3000115.4
278D42.9Very low46.5Very low135 Ų135145.2 Ų145.272%0.72277%0.767SS**  trans-58.6130.5168.8-160.7-7.4000112.3
279D50.4Low46.2Very low159 Ų159142.8 Ų142.885%0.8576%0.76SS**  trans-147.496159.6-114.2-39.9000111
280N46.9Very low46Very low133 Ų133143.2 Ų143.271%0.71176%0.763SS**  trans-59.9133165.2-116.9-26.6000111.8
281K47.2Very low45.2Very low170 Ų170141.9 Ų141.974%0.73977%0.765SS**  trans170.3118.3141.3-93.8150.8-167161.80109.1
282N44.7Very low45Very low156 Ų156140.7 Ų140.783%0.83476%0.756SS**  trans-165.489.3137.8-86.3-27.4000108.4
283E50Low44.6Very low145 Ų145138.7 Ų138.768%0.67876%0.755SS**  trans23.9103.3144.9-3.8-77.8110.800118.4V285E283-V285 PolarHBondContact O-N 2.99Å
284D44.9Very low44.5Very low166 Ų166140.8 Ų140.889%0.88876%0.755SS**  trans-62.6112.7150-71.2-66.5000109.6E286D284-E286 PolarHBondContact O-N 3.03Å
285V51Low43.8Very low116 Ų116142.5 Ų142.570%0.70377%0.765SS**  trans-94.787.2166.5-175.40000108.3E283 I287E283-V285 PolarHBondContact O-N 2.99Å; V285-I287 HydrophobicContact CG1-CD1 4.36Å; V285-I287 HydrophobicContact CG1-CG1 3.8Å; V285-I287 PolarHBondContact O-N 3.33Å
286E43.6Very low43.6Very low169 Ų169140.9 Ų140.979%0.7977%0.767SS**  trans-68.3103.1161.3-171.8175.4-179.700108.4D284 D288D284-E286 PolarHBondContact O-N 3.03Å; E286-D288 PolarHBondContact O-N 3.5Å
287I49.7Very low43.3Very low156 Ų156142.2 Ų142.280%0.877%0.77SS**  trans-90.991.6166.1-57.4-178.1000106.9V285V285-I287 HydrophobicContact CG1-CD1 4.36Å; V285-I287 HydrophobicContact CG1-CG1 3.8Å; V285-I287 PolarHBondContact O-N 3.33Å
288D41.5Very low42.6Very low121 Ų121139.5 Ų139.565%0.64776%0.764SS**  trans-102.4154.2161.7-156.46000110.4E286E286-D288 PolarHBondContact O-N 3.5Å
289C37.2Very low42.4Very low99 Ų99140.5 Ų140.567%0.66977%0.769SS**  trans78.9152.5168.7-59.20000119.3
290P41.4Very low42Very low103 Ų103144 Ų14467%0.66977%0.771SS**  cis-130.2160-1828.2-7.3000113.5V292P290-V292 HydrophobicContact CG-CG2 4.26Å; P290-V292 PolarHBondContact O-N 3.4Å; P290-V292 VanDerWaalsContact O-N 3.16Å
291A31.4Very low42.2Very low108 Ų108143.7 Ų143.789%0.89377%0.774SS**  trans-55.4116.5162.300000110.1
292V39.3Very low41.7Very low88 Ų88142.1 Ų142.153%0.53377%0.774SS.*  trans-132.5105.6165.7-167.40000108.1P290 R294P290-V292 HydrophobicContact CG-CG2 4.26Å; P290-V292 PolarHBondContact O-N 3.4Å; P290-V292 VanDerWaalsContact O-N 3.16Å; V292-R294 HydrophobicContact CG1-CG 4.45Å; V292-R294 PolarHBondContact O-N 3.21Å
293S35.9Very low41.7Very low116 Ų116142.8 Ų142.881%0.81177%0.772SS**  trans-54.1120.5163.1-57.80000109.5
294R42.6Very low41.2Very low211 Ų211143.7 Ų143.780%0.79678%0.776SS**  trans-139.6103.7157.1-73.6-165.4176.499.30109V292 V296V292-R294 HydrophobicContact CG1-CG 4.45Å; V292-R294 PolarHBondContact O-N 3.21Å; R294-V296 PolarHBondContact O-N 2.79Å
295D36.4Very low40.9Very low161 Ų161142.8 Ų142.886%0.86178%0.776SS**  trans-48.2119.8157.5-71.2-87.3000110.4
296V42.8Very low40.5Very low138 Ų138142 Ų14284%0.83677%0.771SS**  trans-131112.5156.91740000107.8R294R294-V296 PolarHBondContact O-N 2.79Å
297K38.5Very low39.9Very low212 Ų212138.9 Ų138.992%0.92277%0.768SS**  trans-75.5134.1172.5-173155.4179.2169.10109
298G37.4Very low39.3Very low67 Ų67136.8 Ų136.869%0.69177%0.766SS**  trans172.576.8176.700000108.8
299D37.2Very low39.3Very low156 Ų156139.3 Ų139.383%0.83477%0.774SS**  81.499.3103.2-161.536.8000111.1
300R43.3Very low39.2Very low233 Ų233141.3 Ų141.388%0.87978%0.783SS**  trans-110114.8172.8-79-174.3176.5125.42106.2
301T49.9Very low39.2Very low127 Ų127142.2 Ų142.278%0.77979%0.786SS**  trans-72.1141161.247.70000110.1
302D37.9Very low39.4Very low137 Ų137145.1 Ų145.173%0.73378%0.781SS**  trans-71.6175.8-168.4-59-79.1000116.2
303E44.6Very low39.5Very low170 Ų170146.8 Ų146.879%0.79479%0.794SS**  trans102.1116.2148.3-50.7-59.970.400120.7
304E38.6Very low39.7Very low163 Ų163150.9 Ų150.976%0.76280%0.797SS**  trans89.385.6141.8-116.4-169122.800120V306E304-V306 HydrophobicContact CG-CG2 4.48Å; E304-V306 WeakPolarHBondContact OE1-CG2 3.47Å
305V38.4Very low39.2Very low147 Ų147145.4 Ų145.489%0.89180%0.797SS**  trans-82.1104.4154171.10000108.5
306V42Very low39.5Very low100 Ų100144.3 Ų144.361%0.60680%0.796SS**  trans-84.4118164.2174.40000109.3E304E304-V306 HydrophobicContact CG-CG2 4.48Å; E304-V306 WeakPolarHBondContact OE1-CG2 3.47Å
307S31.7Very low38.9Very low103 Ų103142.8 Ų142.872%0.7279%0.791SS**  trans-74.9125.9169.8-178.50000109.9
308C37.8Very low39.1Very low113 Ų113140.7 Ų140.776%0.76479%0.787SS**  trans-120.3111.6166.6-71.70000110.3
309Q41.6Very low39.1Very low174 Ų174142.7 Ų142.781%0.81379%0.786SS**  trans-65.9133.2168.3-70.6178.4-3.100110.3
310V34.4Very low39.1Very low140 Ų140142.2 Ų142.285%0.84878%0.782SS**  trans-83.3114.6168.2166.30000108.3
311V42.3Very low39.1Very low123 Ų123139.6 Ų139.675%0.74579%0.785SS**PPolyproline II helixtrans-100.9126168.9177.60000108.7
312Q34.2Very low38.3Very low169 Ų169141 Ų14179%0.7979%0.787SS**PPolyproline II helixtrans-64.9143.6175.5-64.4-90.621.900112
313P42.7Very low38.3Very low122 Ų122137.7 Ų137.779%0.79279%0.786SS**PPolyproline II helixtrans-99.5129.2157.130.6-21.8000111.6
314K39.5Very low38.2Very low202 Ų202135.3 Ų135.388%0.87879%0.788SS**PPolyproline II helixtrans-79.5143.2179-169.3164.2179.31650110.6
315A32.5Very low38.3Very low96 Ų96135.6 Ų135.679%0.79379%0.787SS**PPolyproline II helixtrans-60.7140.3179.600000113.3
316V42.4Very low38.3Very low138 Ų138138 Ų13884%0.83678%0.78SS**  trans-131.9121160.3-178.40000108.2
317S31Very low38.2Very low107 Ų107138.7 Ų138.775%0.74879%0.785SS**  trans-104.1131.1177.4-170.30000107.9
318M42Very low38.7Very low167 Ų167140.3 Ų140.382%0.82379%0.785SS**  trans-146.988.6166.2-78.6-60-68.400110.6
319T38.2Very low39.1Very low110 Ų110140.5 Ų140.568%0.67579%0.788SS**  trans24.3116.3132.4-31.10000121.6
320L35.4Very low38.8Very low145 Ų145138.2 Ų138.276%0.75979%0.789SS**  trans18.7132.2134.4-78.9144.6000120.8
321L44.8Very low39.3Very low179 Ų179137.4 Ų137.494%0.93779%0.787SS**  -157.8122.4126.9-103144.7000112.2
322N33.5Very low39Very low155 Ų155136.1 Ų136.183%0.82979%0.789SS**  trans-76.9157174.6-108.112.1000111.9
323G37.4Very low39.4Very low68 Ų68132.7 Ų132.770%0.70179%0.79SS**  trans163.599.714900000118
324S41.6Very low39.1Very low121 Ų121138.9 Ų138.985%0.84680%0.798SS**  trans58.4151.6137.2-78.70000121.7
325K40.4Very low39.2Very low168 Ų168134.4 Ų134.473%0.7379%0.792SS**  cis175.6154.3-17-162.2178.1-176.1171.70105.3
326R39.9Very low39.7Very low199 Ų199139 Ų13975%0.75180%0.797SS**  trans95.5106.3156.6-54.8-172.8176.3-154.7-2.6117.5
327T39.9Very low39.6Very low114 Ų114138.9 Ų138.970%0.69980%0.797SS**  75.6137.982.684.50000111.3
328D41.5Very low40.1Very low137 Ų137139.4 Ų139.473%0.73380%0.798SS**  cis-163.6162.129.1-91.9-54.2000111.6
329S46.9Very low39.7Very low117 Ų117136.1 Ų136.182%0.81880%0.797SS**  trans87.1114.8146.1-590000123.5
330C34Very low40Very low125 Ų125140.9 Ų140.985%0.84581%0.808SS**  trans-85.7-174.7159.3-74.10000110.8
331P44.9Very low40.5Very low123 Ų123143.7 Ų143.780%0.79981%0.814SS**  cis-147.417814.840.7-18.1000119.4
332A37Very low40.4Very low96 Ų96140.8 Ų140.879%0.79381%0.806SS**  trans71111.9145.900000121.8
333A41.2Very low41Very low98 Ų98142.8 Ų142.881%0.8181%0.808SS**  169.7108.4111.700000113.4
334R36.7Very low41.4Very low251 Ų251147 Ų14795%0.94781%0.813SS**  trans39.6108.4136-130.2169.4-171.1-116.82.9120.6
335S42.1Very low41.1Very low108 Ų108152.4 Ų152.476%0.75581%0.814SS**  trans-166.2124.6135.155.30000113
336E43.5Very low41.3Very low192 Ų192149.8 Ų149.890%0.89782%0.817SS**  trans60.6133137.5-57.2180172.300123.3
337T38.8Very low41.2Very low136 Ų136148.1 Ų148.183%0.83482%0.822SS**  trans-70.4177.3-174.853.60000115
338P41.8Very low41.4Very low119 Ų119148.9 Ų148.977%0.77383%0.826SS**  cis-143.9172.116.337-13.4000118.8
339A34.2Very low41.6Very low97 Ų97150.7 Ų150.780%0.80283%0.83SS**  trans65.387.9150.500000120.4
340K45.1Very low41.6Very low211 Ų211152.8 Ų152.892%0.91783%0.832SS**  trans-115.7116.6156-74.1177-178.4171.80109.9
341K45Very low42.1Very low203 Ų203152.3 Ų152.388%0.88383%0.825SS**  trans-58134.9-177.9-59.5164.9-179.4177.20110.8
342P42.7Very low42.1Very low118 Ų118152.5 Ų152.577%0.76682%0.824SS**  trans-74.6132.6179.530.5-31.8000110.2
343K45.6Very low42.4Very low198 Ų198155.4 Ų155.486%0.86183%0.826SS**  trans-90.1115.2179.5-153.3157.3-176.6174.20108.6W345K343-W345 PolarHBondContact O-N 2.79Å
344I46.5Very low42.3Very low157 Ų157154.9 Ų154.981%0.80582%0.822SS**SBendtrans-74.930.3-160.7-56158.2000114
345W36Very low42.4Very low233 Ų233148.6 Ų148.688%0.88382%0.816SS**  trans-135.141.2-165.5-65.369.2000114.7K343K343-W345 PolarHBondContact O-N 2.79Å
346S43.6Very low42.2Very low113 Ų113149 Ų14979%0.7981%0.814SS**  trans-133.919.6-177.5-166.50000116
347I38.7Very low41.9Very low165 Ų165148.7 Ų148.785%0.84681%0.813SS**  trans-128.377.8178.4-73.5165.8000109
348V43.7Very low41.8Very low130 Ų130147.9 Ų147.979%0.78881%0.813SS**SBendtrans-159.961.5159.6-170.60000108.4
349E46.5Very low41.4Very low174 Ų174148.5 Ų148.581%0.81382%0.82SS**SBendtrans-137.1-10.3169.9-98.3157.6-159.600113.8
350D46.6Very low41.5Very low162 Ų162149.3 Ų149.387%0.86682%0.82SS**SBendtrans-107.615.3-170.3-63.6-25.6000116.4
351T43.3Very low40.8Very low115 Ų115144.9 Ų144.971%0.70682%0.815SS**SBendtrans-119.71.4-17646.90000115.9
352V46.2Very low40.3Very low126 Ų126139.8 Ų139.876%0.76481%0.805SS**THydrogen-bonded Turntrans-92.94.2-174.9-65.70000115.3
353N41.7Very low39.7Very low157 Ų157145.2 Ų145.284%0.8481%0.81SS**THydrogen-bonded Turntrans-118.59.2-175.7-96.431.7000115.8
354A40.8Very low39.2Very low87 Ų87146.8 Ų146.872%0.71981%0.811SS**SBendtrans-115.224-170.900000115.2
355S38.9Very low38.6Very low119 Ų119145 Ų14583%0.83281%0.812SS**  trans-13952.3-178.5-53.90000112.7
356T37.4Very low38.4Very low117 Ų117140 Ų14072%0.71881%0.813SS**  trans-106.3141153.240.30000106.5
357E37.4Very low37.9Very low186 Ų186139.2 Ų139.287%0.86981%0.813SS**  trans98.385.1173.7-51.7169.3-174.100116.5
358S36.5Very low37.5Very low119 Ų119138 Ų13883%0.83281%0.813SS**  trans-176.592.413237.60000110.8
359S32.6Very low37.1Very low131 Ų131135.6 Ų135.692%0.91681%0.807SS**  trans-62.1129.1165.1-68.90000111
360S36.4Very low36.7Very low114 Ų114133.5 Ų133.580%0.79781%0.807SS**  trans-145.3113.1151.943.30000109.9
361S29.8Very low36.1Very low118 Ų118131.3 Ų131.383%0.82581%0.811SS**  trans-71.3131.6-179.3176.40000110.6
362S35.6Very low35.8Very low96 Ų96128.9 Ų128.967%0.67181%0.809SS**  trans-144.1102.5164.7-60.90000109
363R29.2Very low35.2Very low232 Ų232130.5 Ų130.588%0.87581%0.814SS**  trans-77.1113.4179.7175.5-168.9-87.3-165.9-5.9109.2
364W35.3Very low35.1Very low232 Ų232130.2 Ų130.288%0.87981%0.809SS**  trans-128134.3165.7-61.4-34.7000111.9
365S33.5Very low35.1Very low118 Ų118133 Ų13383%0.82581%0.812SS**  trans-73.1140.2-170.3-53.40000112.9
366S31.7Very low35.4Very low130 Ų130131.7 Ų131.791%0.90980%0.799SS**  trans-68.5126171.4-58.30000111.5
367A33.4Very low35.9Very low95 Ų95132.6 Ų132.679%0.78580%0.799SS**  trans-124.8120.8162.600000109.4
368T31.5Very low36Very low139 Ų139127 Ų12785%0.85379%0.791SS**  trans-66.6122.8166.2320000109.6
369A35.4Very low36.6Very low80 Ų80126.4 Ų126.466%0.66178%0.777SS**  trans-144.2143.5170.900000112.3
370T37.6Very low37.7Very low131 Ų131126.4 Ų126.480%0.80477%0.772SS**  trans-65.2154.9-170.6420000114.3G372T370-G372 PolarHBondContact O-N 3.36Å; T370-G372 VanDerWaalsContact O-N 3.13Å
371A34.2Very low39Very low115 Ų115125.7 Ų125.795%0.9575%0.754SS**SBendtrans-56.8109179.900000112.8
372G37.9Very low41.1Very low65 Ų65123.2 Ų123.267%0.6773%0.732SS**SBendtrans160.5110.2173.700000108T370T370-G372 PolarHBondContact O-N 3.36Å; T370-G372 VanDerWaalsContact O-N 3.13Å
373D33.3Very low43.1Very low160 Ų160125 Ų12586%0.85673%0.729SS**  trans54.484.2-179.8-85.8-8000116.5D375D373-D375 VanDerWaalsContact C-N 3.33Å; D373-D375 PolarHBondContact O-N 2.92Å
374M39.9Very low45.6Very low150 Ų150114.1 Ų114.174%0.73969%0.688SS**  trans-87.579.7156.9-76-165.616100109.6V376M374-V376 HydrophobicContact CB-CG2 4.33Å; M374-V376 PolarHBondContact O-N 3.44Å; M374-V376 VanDerWaalsContact O-N 3.09Å
375D39.2Very low47.9Very low146 Ų146106 Ų10678%0.78166%0.66SS**  trans-80.274.9162.9-131.6-10.2000108.3D373D373-D375 VanDerWaalsContact C-N 3.33Å; D373-D375 PolarHBondContact O-N 2.92Å
376V46Very low50.1Low92 Ų92105.4 Ų105.456%0.55864%0.644SS**  trans-114.599178.9-175.60000108.4M374M374-V376 HydrophobicContact CB-CG2 4.33Å; M374-V376 PolarHBondContact O-N 3.44Å; M374-V376 VanDerWaalsContact O-N 3.09Å
377N47.1Very low52.2Low135 Ų135102 Ų10272%0.72262%0.615SS**SBendtrans74.535.6171.4-52.8-47.4000118.1M379N377-M379 VanDerWaalsContact C-N 3.27Å; N377-M379 PolarHBondContact O-N 3.24Å
378G40.6Very low54.2Low69 Ų6998 Ų9871%0.71158%0.582SS**SBendtrans66.124.2163.800000115.4
379M49Very low56.3Low107 Ų10792.6 Ų92.653%0.52755%0.551SS.*  trans-101.495.9174.3-74.4167.9-173.100109N377 F381N377-M379 VanDerWaalsContact C-N 3.27Å; N377-M379 PolarHBondContact O-N 3.24Å; M379-F381 HydrophobicContact CB-CE2 4.23Å; M379-F381 VanDerWaalsContact O-CD2 3.28Å; M379-F381 WeakPolarHBondContact O-CD2 3.49Å; M379-F381 PolarHBondContact O-N 3.49Å
380T56Low58.2Low131 Ų13191.9 Ų91.980%0.80454%0.539SS*.  trans-62.8105.4166.155.70000107.9
381F63.3Low59.8Low99 Ų9986.6 Ų86.643%0.43451%0.507SS..  trans-76.2124.4176.2-76-82.8000109.6M379 Q385M379-F381 HydrophobicContact CB-CE2 4.23Å; M379-F381 VanDerWaalsContact O-CD2 3.28Å; M379-F381 WeakPolarHBondContact O-CD2 3.49Å; M379-F381 PolarHBondContact O-N 3.49Å; F381-Q385 HydrophobicContact CB-CB 4.34Å; F381-Q385 HydrophobicContact CD1-CB 3.92Å
382N74.5Confident61.3Low65 Ų6583 Ų8335%0.34847%0.471SS..  trans-62.6151.8170.8-68.7-32.9000109.7E189 W384 Q385 H386E189-N382 PolarHBondContact OE1-ND2 3.13Å; N382-W384 PolarHBondContact O-N 3.18Å; N382-W384 VanDerWaalsContact O-N 3.07Å; N382-Q385 HydrophobicContact CB-CG 4.18Å; N382-Q385 VanDerWaalsContact N-OE1 3.13Å; N382-Q385 CarbonylContact O-C 3.54Å; N382-Q385 WeakPolarHBondContact O-CA 3.47Å; N382-Q385 VanDerWaalsContact O-CB 3.29Å; N382-Q385 WeakPolarHBondContact O-CB 3.47Å; N382-Q385 PolarHBondContact O-N 2.82Å; N382-H386 PolarHBondContact O-N 3.04Å
383H77.1Confident62.8Low134 Ų13485 Ų8562%0.6246%0.459SS*.Hα-helixtrans-50.7-42-173-179.874.8000113.5Q385 H386 L387H383-Q385 VanDerWaalsContact C-N 3.34Å; H383-Q385 PolarHBondContact O-N 3.36Å; H383-H386 PolarHBondContact O-N 3.05Å; H383-L387 WeakPolarHBondContact O-CG 2.82Å; H383-L387 PolarHBondContact O-N 3.29Å
384W81.5Confident64.4Low4 Ų484.9 Ų84.92%0.01545%0.453CS..Hα-helixtrans-71.5-27.5177.674.9-89.9000113.2A185 W186 E189 E200 M203 L204 N382 A388A185-W384 HydrophobicContact CB-CB 3.92Å; W186-W384 HydrophobicContact CB-CD2 4.44Å; W186-W384 HydrophobicContact CB-CG 4.46Å; W186-W384 AromaticContact CD1-CD2 3.85Å; W186-W384 AromaticContact CD1-CE2 3.52Å; W186-W384 AromaticContact CD1-CH2 3.72Å; W186-W384 AromaticContact CD1-CZ2 3.46Å; W186-W384 VanDerWaalsContact CD1-CZ2 3.46Å; W186-W384 AromaticContact NE1-CZ2 3.85Å; E189-W384 PolarHBondContact OE2-NE1 3.02Å; E200-W384 HydrophobicContact CG-CH2 4.24Å; M203-W384 HydrophobicContact CE-CH2 3.86Å; M203-W384 HydrophobicContact CE-CZ3 4.26Å; L204-W384 HydrophobicContact CD2-CE3 4.1Å; L204-W384 HydrophobicContact CD2-CZ3 4.31Å; N382-W384 PolarHBondContact O-N 3.18Å; N382-W384 VanDerWaalsContact O-N 3.07Å; W384-A388 WeakPolarHBondContact O-CB 3.32Å; W384-A388 PolarHBondContact O-N 3.13Å
385Q82.4Confident65.3Low61 Ų6183.1 Ų83.129%0.28544%0.439SS..Hα-helixtrans-73.6-35.4172.3-58.2177-19.500111F381 N382 H383 A388 A389F381-Q385 HydrophobicContact CB-CB 4.34Å; F381-Q385 HydrophobicContact CD1-CB 3.92Å; N382-Q385 HydrophobicContact CB-CG 4.18Å; N382-Q385 VanDerWaalsContact N-OE1 3.13Å; N382-Q385 CarbonylContact O-C 3.54Å; N382-Q385 WeakPolarHBondContact O-CA 3.47Å; N382-Q385 VanDerWaalsContact O-CB 3.29Å; N382-Q385 WeakPolarHBondContact O-CB 3.47Å; N382-Q385 PolarHBondContact O-N 2.82Å; H383-Q385 VanDerWaalsContact C-N 3.34Å; H383-Q385 PolarHBondContact O-N 3.36Å; Q385-A388 CarbonylContact O-C 3.56Å; Q385-A388 WeakPolarHBondContact O-CA 2.72Å; Q385-A388 WeakPolarHBondContact O-CB 3.2Å; Q385-A388 PolarHBondContact O-N 3.03Å; Q385-A388 VanDerWaalsContact O-N 3.08Å; Q385-A389 PolarHBondContact O-N 3.5Å
386H80.2Confident65.9Low106 Ų10678.9 Ų78.949%0.49142%0.416SS..Hα-helixtrans-64.4-47.9171.5-173.6-88.7000110.9N382 H383 A388 A389 V390N382-H386 PolarHBondContact O-N 3.04Å; H383-H386 PolarHBondContact O-N 3.05Å; H386-A388 PolarHBondContact O-N 2.98Å; H386-A389 PolarHBondContact O-N 3.29Å; H386-A389 VanDerWaalsContact O-N 3.16Å; H386-V390 WeakPolarHBondContact O-CG2 3.35Å; H386-V390 PolarHBondContact O-N 2.96Å
387L77Confident66.3Low59 Ų5979.1 Ų79.131%0.30942%0.419SS..Hα-helixtrans-56.7-32.3169.7-68.4177.5000111.6H383 S391H383-L387 WeakPolarHBondContact O-CG 2.82Å; H383-L387 PolarHBondContact O-N 3.29Å; L387-S391 VanDerWaalsContact O-CB 3.26Å; L387-S391 WeakPolarHBondContact O-CB 3.42Å; L387-S391 PolarHBondContact O-N 3.03Å
388A74.8Confident66.5Low10 Ų1077.9 Ų77.98%0.08343%0.428CS..Hα-helixtrans-64.4-51.9175.700000112.6I207 W384 Q385 H386 S391 M392I207-A388 HydrophobicContact CD1-CB 3.1Å; I207-A388 HydrophobicContact CG1-CB 3.68Å; W384-A388 WeakPolarHBondContact O-CB 3.32Å; W384-A388 PolarHBondContact O-N 3.13Å; Q385-A388 CarbonylContact O-C 3.56Å; Q385-A388 WeakPolarHBondContact O-CA 2.72Å; Q385-A388 WeakPolarHBondContact O-CB 3.2Å; Q385-A388 PolarHBondContact O-N 3.03Å; Q385-A388 VanDerWaalsContact O-N 3.08Å; H386-A388 PolarHBondContact O-N 2.98Å; A388-S391 PolarHBondContact O-N 3.32Å; A388-M392 WeakPolarHBondContact O-CG 3.18Å; A388-M392 PolarHBondContact O-N 2.97Å
389A74.7Confident66.8Low25 Ų2580.9 Ų80.921%0.20743%0.427CS..Hα-helixtrans-57.8-51.5177.300000110Q385 H386 S391 M392 Y393Q385-A389 PolarHBondContact O-N 3.5Å; H386-A389 PolarHBondContact O-N 3.29Å; H386-A389 VanDerWaalsContact O-N 3.16Å; A389-S391 PolarHBondContact O-N 3.36Å; A389-M392 WeakPolarHBondContact O-CB 3.4Å; A389-M392 PolarHBondContact O-N 3.3Å; A389-M392 VanDerWaalsContact O-N 3.16Å; A389-Y393 HydrophobicContact CB-CE2 4.22Å; A389-Y393 WeakPolarHBondContact O-CD2 3.47Å; A389-Y393 PolarHBondContact O-N 2.93Å
390V76.3Confident66.9Low66 Ų6679.5 Ų79.540%0.444%0.44SS..Hα-helixtrans-59.1-45-180175.70000112.2H386 M392 Y393 Q394H386-V390 WeakPolarHBondContact O-CG2 3.35Å; H386-V390 PolarHBondContact O-N 2.96Å; V390-M392 VanDerWaalsContact C-N 3.32Å; V390-M392 PolarHBondContact O-N 3.46Å; V390-Y393 PolarHBondContact O-N 3.06Å; V390-Q394 PolarHBondContact O-N 2.68Å
391S70.3Confident66.7Low20 Ų2077.1 Ų77.114%0.1443%0.425CS..Hα-helixtrans-66-34.2178.9-175.40000112.5I207 L387 A388 A389 Q394 R395I207-S391 WeakPolarHBondContact CA-OG 3Å; I207-S391 PolarHBondContact O-OG 3.06Å; L387-S391 VanDerWaalsContact O-CB 3.26Å; L387-S391 WeakPolarHBondContact O-CB 3.42Å; L387-S391 PolarHBondContact O-N 3.03Å; A388-S391 PolarHBondContact O-N 3.32Å; A389-S391 PolarHBondContact O-N 3.36Å; S391-Q394 PolarHBondContact O-N 2.98Å; S391-R395 PolarHBondContact O-N 2.94Å
392M66.4Low65.8Low40 Ų4078.9 Ų78.920%0.19744%0.438CS..Hα-helixtrans-63.4-45.3172.5-69.9-84.8-162.800111.5I206 A388 A389 V390 Q394 R395 I405I206-M392 HydrophobicContact CB-CE 3.78Å; I206-M392 HydrophobicContact CB-SD 4.25Å; I206-M392 HydrophobicContact CD1-CE 3.53Å; I206-M392 HydrophobicContact CD1-SD 4.43Å; I206-M392 HydrophobicContact CG1-CE 4.25Å; I206-M392 HydrophobicContact CG2-CE 3.46Å; I206-M392 VanDerWaalsContact CG2-CE 3.46Å; I206-M392 HydrophobicContact CG2-CG 4.37Å; I206-M392 HydrophobicContact CG2-SD 3.25Å; I206-M392 WeakPolarHBondContact CG2-SD 3.12Å; A388-M392 WeakPolarHBondContact O-CG 3.18Å; A388-M392 PolarHBondContact O-N 2.97Å; A389-M392 WeakPolarHBondContact O-CB 3.4Å; A389-M392 PolarHBondContact O-N 3.3Å; A389-M392 VanDerWaalsContact O-N 3.16Å; V390-M392 VanDerWaalsContact C-N 3.32Å; V390-M392 PolarHBondContact O-N 3.46Å; M392-Q394 VanDerWaalsContact C-N 3.32Å; M392-Q394 PolarHBondContact O-N 3.14Å; M392-R395 PolarHBondContact O-N 3.41Å; M392-R395 VanDerWaalsContact O-N 3.15Å; M392-I405 HydrophobicContact CB-CD1 4.47Å
393Y69Low64.7Low105 Ų10576.4 Ų76.441%0.41243%0.426SS..Hα-helixtrans-61.6-39.1177.5-73.5-67.9000112.2A389 V390 R395 I405A389-Y393 HydrophobicContact CB-CE2 4.22Å; A389-Y393 WeakPolarHBondContact O-CD2 3.47Å; A389-Y393 PolarHBondContact O-N 2.93Å; V390-Y393 PolarHBondContact O-N 3.06Å; Y393-R395 PolarHBondContact O-N 3.23Å; Y393-I405 HydrophobicContact CE1-CD1 4.34Å
394Q66.2Low63.5Low158 Ų15873.3 Ų73.374%0.73842%0.424SS*.THydrogen-bonded Turntrans-73.9-9.6179.1-158.416525.600113.9V390 S391 M392V390-Q394 PolarHBondContact O-N 2.68Å; S391-Q394 PolarHBondContact O-N 2.98Å; M392-Q394 VanDerWaalsContact C-N 3.32Å; M392-Q394 PolarHBondContact O-N 3.14Å
395R59.4Low62Low114 Ų11475 Ų7543%0.4343%0.432SS..THydrogen-bonded Turntrans-93.1-6.9-179.1-131.8173.2-168.3-163.10.8114I206 K209 S391 M392 Y393I206-R395 PolarHBondContact O-NH1 3.03Å; K209-R395 VanDerWaalsContact CA-NH2 3.3Å; K209-R395 VanDerWaalsContact CG-NH2 3.33Å; S391-R395 PolarHBondContact O-N 2.94Å; M392-R395 PolarHBondContact O-N 3.41Å; M392-R395 VanDerWaalsContact O-N 3.15Å; Y393-R395 PolarHBondContact O-N 3.23Å
396L51.9Low60.5Low57 Ų5779.4 Ų79.430%0.29845%0.447SS..SBendtrans-84.1124.8174.6-68.8165.6000108.8A398 P403L396-A398 PolarHBondContact O-N 2.82Å; L396-P403 HydrophobicContact CD1-CG 3.4Å; L396-P403 VanDerWaalsContact CD1-CG 3.4Å; L396-P403 HydrophobicContact CD2-CG 4.35Å
397P54.5Low58.9Low96 Ų9678.1 Ų78.162%0.62344%0.44SS*.  trans-55.2141.216723.9-30.2000108L399P397-L399 HydrophobicContact CG-CD1 4.31Å; P397-L399 HydrophobicContact CG-CG 4.48Å; P397-L399 PolarHBondContact O-N 2.99Å
398A52.2Low57.7Low110 Ų11080.3 Ų80.391%0.90945%0.448SS*.  trans-65.752.8-175.300000113.4L396 G400L396-A398 PolarHBondContact O-N 2.82Å; A398-G400 VanDerWaalsContact C-N 3.27Å; A398-G400 PolarHBondContact O-N 3.09Å
399L45.4Very low56.3Low132 Ų13288.8 Ų88.869%0.69148%0.478SS*.  trans-78.979.8171.4-68.6174.5000107.6P397 T401P397-L399 HydrophobicContact CG-CD1 4.31Å; P397-L399 HydrophobicContact CG-CG 4.48Å; P397-L399 PolarHBondContact O-N 2.99Å; L399-T401 PolarHBondContact O-N 2.97Å
400G51.2Low54.9Low78 Ų7890.2 Ų90.280%0.80449%0.485SS*.SBendtrans40.7-6.7148.500000123.2A398A398-G400 VanDerWaalsContact C-N 3.27Å; A398-G400 PolarHBondContact O-N 3.09Å
401T52.6Low53.6Low81 Ų8198 Ų9850%0.49751%0.514SS..SBendtrans-161.8118.1-177.4-48.50000108.9L399 P422L399-T401 PolarHBondContact O-N 2.97Å; T401-P422 HydrophobicContact CG2-CB 4.31Å; T401-P422 HydrophobicContact CG2-CG 3.7Å
402L43.4Very low52.6Low135 Ų135102.3 Ų102.371%0.70754%0.535SS*.PPolyproline II helixtrans-67.7130.4-175.4-62.8171.5000111.3
403P51.6Low51.6Low14 Ų14109.4 Ų109.49%0.09157%0.568CS.*PPolyproline II helixtrans-71.7135.1166.629.3-31.8000110L396 I405 F420L396-P403 HydrophobicContact CD1-CG 3.4Å; L396-P403 VanDerWaalsContact CD1-CG 3.4Å; L396-P403 HydrophobicContact CD2-CG 4.35Å; P403-I405 PolarHBondContact O-N 3.11Å; P403-F420 WeakPolarHBondContact CA-O 3.22Å; P403-F420 VanDerWaalsContact CB-O 3.3Å; P403-F420 WeakPolarHBondContact CB-O 3.2Å
404A52.2Low50.4Low69 Ų69113.3 Ų113.357%0.5758%0.582SS**EExtended strand (participates in β ladder)trans-74.4118.917000000109.1
405I50.8Low49.5Very low39 Ų39112 Ų11220%0.257%0.571CS.*EExtended strand (participates in β ladder)trans-92.1113.9173.8-57.6176.7000107.6M392 Y393 P403 F407 V417 L419M392-I405 HydrophobicContact CB-CD1 4.47Å; Y393-I405 HydrophobicContact CE1-CD1 4.34Å; P403-I405 PolarHBondContact O-N 3.11Å; I405-F407 HydrophobicContact CG2-CD2 4.22Å; I405-F407 HydrophobicContact CG2-CE2 3.79Å; I405-F407 HydrophobicContact CG2-CZ 4.1Å; I405-V417 HydrophobicContact CG2-CG1 4.28Å; I405-L419 HydrophobicContact CG1-CD2 4.12Å
406R51.4Low48.8Very low154 Ų154109.1 Ų109.158%0.58157%0.568SS**EExtended strand (participates in β ladder)trans-110.6115.3173.3-147.2-179.2-151.6176.66.6108.7H408R406-H408 PolarHBondContact O-N 3.26Å
407F46.5Very low48.7Very low79 Ų79109.9 Ų109.935%0.34658%0.575SS.*EExtended strand (participates in β ladder)trans-82.2110.5168.6-68.5-83.3000108.3I405 V417I405-F407 HydrophobicContact CG2-CD2 4.22Å; I405-F407 HydrophobicContact CG2-CE2 3.79Å; I405-F407 HydrophobicContact CG2-CZ 4.1Å; F407-V417 HydrophobicContact CD1-CG2 3.91Å; F407-V417 HydrophobicContact CE1-CG2 3.56Å
408H51Low48.8Very low104 Ų104108.3 Ų108.348%0.48156%0.563SS.*EExtended strand (participates in β ladder)trans-85.7129.4167.5-103.8-100000108.8R406 P410R406-H408 PolarHBondContact O-N 3.26Å; H408-P410 WeakPolarHBondContact O-CD 3.31Å
409R44.7Very low48.8Very low189 Ų189106.8 Ų106.871%0.71354%0.54SS*.  trans-80.2108.6153-76.9-165.7-144.4-168.66.8106.9Y415R409-Y415 HydrophobicContact CG-CE1 3.99Å
410P45.4Very low49.1Very low54 Ų54106.3 Ų106.335%0.35153%0.532SS..  trans-73.4156.9157.931.4-29.2000108.4H408 D412 R414H408-P410 WeakPolarHBondContact O-CD 3.31Å; P410-D412 PolarHBondContact O-N 3.01Å; P410-R414 WeakPolarHBondContact CD-O 3.49Å; P410-R414 HydrophobicContact CG-CB 4.22Å; P410-R414 WeakPolarHBondContact CG-O 3.47Å
411F49.4Very low48.8Very low231 Ų231108.8 Ų108.8100%1.01352%0.518SS*.THydrogen-bonded Turntrans-53.6-2.9178.7-129-100.6000114.9
412D48.8Very low48.7Very low109 Ų109107 Ų10758%0.58351%0.508SS*.THydrogen-bonded Turntrans-131.642.2-168.2-166.926.6000113.5P410 R414P410-D412 PolarHBondContact O-N 3.01Å; D412-R414 WeakPolarHBondContact O-CG 3.32Å; D412-R414 PolarHBondContact O-N 2.87Å
413Q46.8Very low49.4Very low190 Ų190106.3 Ų106.389%0.88851%0.51SS*.SBendtrans51.29.5172.1-65.1-169.96.900117.9
414R42.3Very low49.5Very low186 Ų186109.2 Ų109.270%0.70253%0.53SS*.  trans-97.595.7178-67.5-174-159.3-165.36.4110.5P410 D412 S416P410-R414 WeakPolarHBondContact CD-O 3.49Å; P410-R414 HydrophobicContact CG-CB 4.22Å; P410-R414 WeakPolarHBondContact CG-O 3.47Å; D412-R414 WeakPolarHBondContact O-CG 3.32Å; D412-R414 PolarHBondContact O-N 2.87Å; R414-S416 PolarHBondContact O-N 3.21Å
415Y47.9Very low49.5Very low132 Ų132109.2 Ų109.252%0.51852%0.521SS..  trans-58116.6169.9-65.1-83.3000110.4R409R409-Y415 HydrophobicContact CG-CE1 3.99Å
416S45.1Very low49.6Very low52 Ų52114.9 Ų114.936%0.36454%0.541SS..EExtended strand (participates in β ladder)trans-96.8131.3166.155.90000108.5R414R414-S416 PolarHBondContact O-N 3.21Å
417V50.7Low49.8Very low73 Ų73115 Ų11544%0.44255%0.548SS..EExtended strand (participates in β ladder)trans-100.7111.3170.2178.80000106.4I405 F407 L419I405-V417 HydrophobicContact CG2-CG1 4.28Å; F407-V417 HydrophobicContact CD1-CG2 3.91Å; F407-V417 HydrophobicContact CE1-CG2 3.56Å; V417-L419 HydrophobicContact CG1-CD2 4.18Å; V417-L419 HydrophobicContact CG1-CG 4.45Å
418V54.6Low50.3Low63 Ų63117.8 Ų117.838%0.38256%0.562SS.*EExtended strand (participates in β ladder)trans-99.8116.8173.1-174.80000107.4F420V418-F420 HydrophobicContact CB-CD2 4.46Å; V418-F420 HydrophobicContact CB-CE2 3.98Å; V418-F420 HydrophobicContact CG1-CD2 3.89Å; V418-F420 HydrophobicContact CG1-CE1 4.44Å; V418-F420 HydrophobicContact CG1-CE2 3.44Å; V418-F420 VanDerWaalsContact CG1-CE2 3.44Å; V418-F420 HydrophobicContact CG1-CZ 3.75Å
419L53.1Low50.5Low79 Ų79118.3 Ų118.341%0.41457%0.568SS.*EExtended strand (participates in β ladder)trans-90.4108.2173.1-63.8176.8000108.1I405 V417 Y421I405-L419 HydrophobicContact CG1-CD2 4.12Å; V417-L419 HydrophobicContact CG1-CD2 4.18Å; V417-L419 HydrophobicContact CG1-CG 4.45Å; L419-Y421 HydrophobicContact CB-CE2 4.04Å
420F51.4Low51.1Low122 Ų122112.1 Ų112.154%0.53556%0.557SS.*EExtended strand (participates in β ladder)trans-85.4113.9171.1-73.4-87.3000109.2P403 V418P403-F420 WeakPolarHBondContact CA-O 3.22Å; P403-F420 VanDerWaalsContact CB-O 3.3Å; P403-F420 WeakPolarHBondContact CB-O 3.2Å; V418-F420 HydrophobicContact CB-CD2 4.46Å; V418-F420 HydrophobicContact CB-CE2 3.98Å; V418-F420 HydrophobicContact CG1-CD2 3.89Å; V418-F420 HydrophobicContact CG1-CE1 4.44Å; V418-F420 HydrophobicContact CG1-CE2 3.44Å; V418-F420 VanDerWaalsContact CG1-CE2 3.44Å; V418-F420 HydrophobicContact CG1-CZ 3.75Å
421Y45.4Very low51.8Low130 Ų130113 Ų11351%0.5157%0.565SS.*  trans-88.6134.1167.3-67.1-87.3000108.9L419 T423L419-Y421 HydrophobicContact CB-CE2 4.04Å; Y421-T423 PolarHBondContact O-N 2.76Å
422P50.8Low52.2Low43 Ų43108.5 Ų108.528%0.27955%0.546SS..  trans-60.3130171.924.2-31.3000109.7T401 S424 N425T401-P422 HydrophobicContact CG2-CB 4.31Å; T401-P422 HydrophobicContact CG2-CG 3.7Å; P422-S424 PolarHBondContact O-N 3.42Å; P422-N425 PolarHBondContact O-N 3.21Å
423T57Low52.5Low121 Ų121111.6 Ų111.674%0.74255%0.551SS**THydrogen-bonded Turntrans-59.9-14-176.4410000114Y421 N425 Y426Y421-T423 PolarHBondContact O-N 2.76Å; T423-N425 VanDerWaalsContact C-N 3.26Å; T423-N425 PolarHBondContact O-N 3.36Å; T423-Y426 PolarHBondContact O-N 3.14Å
424S53.7Low53Low75 Ų75108.1 Ų108.152%0.52454%0.535SS..Hα-helixtrans-66.4-19.9-178.954.70000114.6P422P422-S424 PolarHBondContact O-N 3.42Å
425N52.5Low53.7Low68 Ų68106.2 Ų106.236%0.36453%0.534SS..Hα-helixtrans-94.3-15.2174.5-92-39.5000114P422 T423 L429P422-N425 PolarHBondContact O-N 3.21Å; T423-N425 VanDerWaalsContact C-N 3.26Å; T423-N425 PolarHBondContact O-N 3.36Å; N425-L429 WeakPolarHBondContact O-CB 3.04Å; N425-L429 PolarHBondContact O-N 2.67Å; N425-L429 VanDerWaalsContact O-N 3.14Å
426Y52.5Low54Low159 Ų159107.8 Ų107.862%0.62455%0.546SS*.Hα-helixtrans-72.1-35.2179.5-100.2-86.8000112.2T423 A430T423-Y426 PolarHBondContact O-N 3.14Å; Y426-A430 WeakPolarHBondContact O-CB 3.31Å; Y426-A430 PolarHBondContact O-N 2.96Å
427Q55.8Low54.2Low155 Ų155110.1 Ų110.172%0.72455%0.554SS**Hα-helixtrans-68.2-40176.7-98.3176.6-9.700112.6S431Q427-S431 WeakPolarHBondContact O-CB 2.93Å; Q427-S431 PolarHBondContact O-N 3.39Å; Q427-S431 PolarHBondContact O-OG 3Å
428Q56.7Low54.1Low138 Ų138112.8 Ų112.865%0.64556%0.562SS**Hα-helixtrans-70.9-41177.7-78.9-178.5900112.4Q432Q428-Q432 VanDerWaalsContact O-CB 3.31Å; Q428-Q432 WeakPolarHBondContact O-CB 3.34Å; Q428-Q432 PolarHBondContact O-N 3.35Å
429L55.2Low53.7Low116 Ų116113.8 Ų113.861%0.60757%0.57SS**Hα-helixtrans-68-37.7174.9-86.9157.5000112.4N425 Q432 Y433N425-L429 WeakPolarHBondContact O-CB 3.04Å; N425-L429 PolarHBondContact O-N 2.67Å; N425-L429 VanDerWaalsContact O-N 3.14Å; L429-Q432 PolarHBondContact O-N 3.35Å; L429-Y433 WeakPolarHBondContact O-CB 3.27Å; L429-Y433 PolarHBondContact O-N 3.36Å
430A59Low53.2Low59 Ų59117.5 Ų117.549%0.48859%0.59SS.*Hα-helixtrans-67.4-42.6175.100000111.9Y426 Y433 H434Y426-A430 WeakPolarHBondContact O-CB 3.31Å; Y426-A430 PolarHBondContact O-N 2.96Å; A430-Y433 PolarHBondContact O-N 3.05Å; A430-H434 VanDerWaalsContact O-CB 3.27Å; A430-H434 WeakPolarHBondContact O-CB 3.4Å; A430-H434 PolarHBondContact O-N 3Å
431S59.1Low52.9Low73 Ų73120.8 Ų120.851%0.5161%0.605SS.*Hα-helixtrans-64.5-40.2174.5-79.40000112.3Q427 H434 Q435Q427-S431 WeakPolarHBondContact O-CB 2.93Å; Q427-S431 PolarHBondContact O-N 3.39Å; Q427-S431 PolarHBondContact O-OG 3Å; S431-H434 PolarHBondContact O-N 3.25Å; S431-Q435 WeakPolarHBondContact O-CB 3.36Å; S431-Q435 PolarHBondContact O-N 3.26Å
432Q58Low52.9Low135 Ų135121 Ų12163%0.63162%0.62SS**Hα-helixtrans-69.8-35.1178.8-164.5172.1-8.400112.4Q428 L429 Q436Q428-Q432 VanDerWaalsContact O-CB 3.31Å; Q428-Q432 WeakPolarHBondContact O-CB 3.34Å; Q428-Q432 PolarHBondContact O-N 3.35Å; L429-Q432 PolarHBondContact O-N 3.35Å; Q432-Q436 PolarHBondContact O-N 3.44Å
433Y54.4Low52.5Low175 Ų175124.4 Ų124.469%0.68664%0.639SS**Hα-helixtrans-73-30.9175.2-149.6-91.1000112.7L429 A430L429-Y433 WeakPolarHBondContact O-CB 3.27Å; L429-Y433 PolarHBondContact O-N 3.36Å; A430-Y433 PolarHBondContact O-N 3.05Å
434H57.7Low51.9Low116 Ų116124.4 Ų124.454%0.53764%0.639SS.*Hα-helixtrans-78.6-24175.7-15777.7000112.9A430 S431A430-H434 VanDerWaalsContact O-CB 3.27Å; A430-H434 WeakPolarHBondContact O-CB 3.4Å; A430-H434 PolarHBondContact O-N 3Å; S431-H434 PolarHBondContact O-N 3.25Å
435Q56.9Low51.4Low147 Ų147125.2 Ų125.269%0.68765%0.645SS**Hα-helixtrans-79.6-26.8176.9-143.288.646.200113.1S431S431-Q435 WeakPolarHBondContact O-CB 3.36Å; S431-Q435 PolarHBondContact O-N 3.26Å
436Q53.8Low50.9Low164 Ų164128.8 Ų128.877%0.76666%0.663SS**Hα-helixtrans-94.4-11.2-178.1-153168.214.400113.4Q432Q432-Q436 PolarHBondContact O-N 3.44Å
437N50.6Low50.5Low101 Ų101126.1 Ų126.154%0.5467%0.666SS.*SBendtrans-12783.7173.9-71.8-49.1000109.8
438Q48.4Very low50Low130 Ų130123.6 Ų123.661%0.60767%0.666SS**  trans-95.9155.2172.8-78.2-93.9-3600110.5
439P45.8Very low49.4Very low84 Ų84124.5 Ų124.555%0.54568%0.675SS.*  -149.894.7-5239-18.1000112.4
440D42.9Very low49.1Very low157 Ų157127.7 Ų127.784%0.8469%0.687SS**  trans-120.828.6178.8-83.2-17.2000114.6
441F44.8Very low48.6Very low191 Ų191136 Ų13684%0.83872%0.723SS**  trans-131.9111.4171.4-91.4-87.5000112.5T443F441-T443 PolarHBondContact O-N 2.94Å
442T44.3Very low48.1Very low135 Ų135139.2 Ų139.283%0.82873%0.734SS**  trans-43103.4162.428.80000110.5T444T442-T444 PolarHBondContact O-N 2.75Å
443T44.4Very low47.6Very low113 Ų113139.4 Ų139.469%0.69374%0.739SS**  trans-83.8101.1171.2-63.60000108F441 S445F441-T443 PolarHBondContact O-N 2.94Å; T443-S445 PolarHBondContact O-N 2.89Å; T443-S445 VanDerWaalsContact O-N 3.1Å
444T43.9Very low47.2Very low121 Ų121137.4 Ų137.474%0.74274%0.742SS**  trans-72.297163.6-49.50000107.6T442 I446T442-T444 PolarHBondContact O-N 2.75Å; T444-I446 HydrophobicContact CG2-CG1 4.46Å; T444-I446 PolarHBondContact O-N 3.16Å
445S43.6Very low46.6Very low92 Ų92138.7 Ų138.764%0.64375%0.754SS**  trans-70.1103.6168.2175.20000108.9T443 C447T443-S445 PolarHBondContact O-N 2.89Å; T443-S445 VanDerWaalsContact O-N 3.1Å; S445-C447 PolarHBondContact O-N 3.36Å
446I42Very low45.9Very low143 Ų143138.2 Ų138.273%0.73376%0.758SS**  trans-83.694.5162.3-59.9175.5000106.1T444 S448T444-I446 HydrophobicContact CG2-CG1 4.46Å; T444-I446 PolarHBondContact O-N 3.16Å; I446-S448 PolarHBondContact O-N 3.26Å
447C43.7Very low45.4Very low103 Ų103136.5 Ų136.570%0.69676%0.758SS**  trans-69.6109.7156.6-79.70000106.9S445 D449S445-C447 PolarHBondContact O-N 3.36Å; C447-D449 PolarHBondContact O-N 2.95Å
448S45.8Very low45Very low103 Ų103139 Ų13972%0.7277%0.773SS**  trans-87.991.5157.4-70.20000107.3I446I446-S448 PolarHBondContact O-N 3.26Å
449D42.4Very low44.8Very low157 Ų157139.7 Ų139.784%0.8479%0.786SS**  trans-62.3125.6148.8-83.9-49.7000107.1C447C447-D449 PolarHBondContact O-N 2.95Å
450H49.7Very low44.7Very low183 Ų183144.3 Ų144.385%0.84781%0.806SS**  trans-131.9114162.2-133.9-68.7000106.3
451D49.1Very low44.9Very low234 Ų234143.2 Ų143.2100%1.25180%0.803SS**  trans-48.90166.2-90.4-59.6000112.7

Retrieved 451 of 451 residues in 567.1 ms (Link to these results)