A0A3Q0KGQ0_SCHMA Loading...

RUN domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KGQ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,541 aa.

>A0A3Q0KGQ0_SCHMA|A0A3Q0KGQ0
MDAASLNPRLLRYNGTCQDPEISGRVGKKIVCDPTPKHTPYQMQTESVHNIPPSSFAPHALISSTVGTPPISSVYLEQGEYFFDDEFAEPMDPHLQEDRDDNTRYPLMVQSMDCSRKPPPDLIGHSRSDSCIFSPVNSRESGLSDSKIAGNHFSNNINHERLSNCRNAQLPNNIESNILQKNANESKNLCLKKGFVYQASNETSEVDFNNDASQQFTSESQGSVHYNASGSTSWMHMLMERSCNPELRALINRTAAAVDYKLAYGDSIGLQGRLEDRSCLSSKHNVSGLVTGSRSLSQGSLLAAASLAGLRHALDQTTQLLPKPTDRNTELCSVGVSADLISDTVTMEHKNQDSSTSNTTTWAKKHGSRESLKRRSLRSTEMTVFPYPNSSKENEIDSDHTTTWQTIKDANGALITWNQLKRVVKRAESLGKSSSVRESRRDHHNQSDPFTPKMNMTGSVKSRSHSQPLAGASHMHRFSGTLFEIFMHARAQGIASLGVHSDCSAVDLNDFPKGNSASAYSNPAHIIHQEDSDRADILSNRYNYPLGVAMSPRISGARKSYLFAGTDPRRSSTENDKYLLLRKERIFPSKGNIQFSPLYTSADAVARSMRNFGAQFPPLDDSKNVSSRGLFNDQRKNGNNQNTSPIWSTKLPLRNGSSAAYANNCTVRHSHPQPLYLSRPMSALHCHINPKRNERNNIQQSPSPIEPPTIAACLTASAGPDSPYMAALRAGCAARGYAVGWIGNPRASIAYPGLGLLSVPRPSRLAGSAFLSHTLPDLSFLSQAGAEEDRKGTPTMTKRRASCLSTTQSKKKCTCTKCGCRSTSAGRVSSKGTCSDKSSKLQTSKIQSDQNKTLCRNFKDNEQRNTPDIISTISRPNSNDVNTRTEIQTTTQSRLHCPESIERCSSSEPDLVNSSISSSKVNQPMYGSVDSNSSWIGATSTTRRSNEHQNNDCNNNKNASEMDESLSLNSRPKKSVSFSGNIRLLQLNSKDSHHHYSDTSTQQSPEPKVIPRNWGLYGQEQPLAEFNPRCSPSLDSEKNGKSTHHSDIDVRYHAMVNDVIKAVQETVAYYCNPNINLKNHEELNGHNSLSNTSLPYSKVEAIGSSGKQPLLAVIPPLTILLCDGLLPPSKPIFTSRPRTRLWQLVEESCRPGALPTGVAYHVLNDAISQVKALTNITLEKTKFKGFICACLNAKALPMWLNALVANDTLLRRFYCENAFIRQCRASQRELHADLMTHLEQLLAFPFNLDISIEVRKPFIDSQLLNNNLTKTSIPSTYMTTNSKHLNQSNHGIESTAVTNNKTGRSNIPPATVVTRRQMIFNGNSANSNNSSRIPSVSSPIQTTTLSSIKSSNTTTSSSLSSNNHCYPQHHLPNQRSIPSRLPSASKSNPRSNGDNNSEANSVCLSTETGLIHPRTTNSENQINSQAVVRSGRFKNAFSNLRRSNGGSGGGSHVSKSNTRTLLNTPSNSSILNNSNNNGKLNNISQMTESQRRTTTTTTAATSRQLEVGKANPTKSQLQKLKPSSNSNISTGGGSSGNVGHH
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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
1M33Very low33.1Very low227 Ų227147.2 Ų147.2100%1.11881%0.812SS**  068.20-64.8-174.1-177.700110.4
2D32.8Very low32.7Very low138 Ų138153.3 Ų153.374%0.73881%0.814SS**  cis-149.1138.6-12-82.9-37000108
3A31.5Very low32.6Very low94 Ų94158.2 Ų158.278%0.77782%0.817SS**  45.8129.8100.700000113.1
4A35Very low32.5Very low92 Ų92156.9 Ų156.976%0.7681%0.812SS**  cis-170.4174.812.800000107.6
5S33.6Very low32.6Very low90 Ų90151.2 Ų151.263%0.62981%0.807SS**  cis179.9157.9-1857.60000108.1
6L35.5Very low32.4Very low155 Ų155149.5 Ų149.581%0.81280%0.804SS**  trans67128.7158.5-61.6161000116.1
7N33.5Very low32.5Very low143 Ų143147.2 Ų147.277%0.76580%0.8SS**  cis71.7146.126.2-144.923.2000113.6
8P37.4Very low32.4Very low103 Ų103147.9 Ų147.967%0.66980%0.798SS**  -122.4-161.3-65.736.9-24.9000112.5L10P8-L10 PolarHBondContact O-N 2.82Å; P8-L10 VanDerWaalsContact O-N 3.07Å
9R27.1Very low32.5Very low242 Ų242147.8 Ų147.891%0.91380%0.797SS**  trans-48.1110.3161.1-69.6174.6173.4164.7-2.8111.5
10L31Very low32.8Very low163 Ų163146 Ų14685%0.85379%0.793SS**  trans171.7111.7134.9-98163.8000110.7P8P8-L10 PolarHBondContact O-N 2.82Å; P8-L10 VanDerWaalsContact O-N 3.07Å
11L33.7Very low32.8Very low172 Ų172146.2 Ų146.290%0.90179%0.789SS**  trans-167122.6139.7-108.2165.5000109.7
12R28.5Very low32.8Very low221 Ų221142.1 Ų142.183%0.83477%0.77SS**  trans-79.8143.7154.2-61.9174.4176.7175.9-2.5106.7
13Y31.8Very low32.7Very low216 Ų216140.5 Ų140.585%0.84777%0.769SS**  -166.2166.9118-119.5-87000111.6
14N30.4Very low32.9Very low141 Ų141138.9 Ų138.975%0.75476%0.762SS**  trans-82.6164.8-168.5-53.9-33.9000113.8
15G35Very low32.8Very low71 Ų71145.6 Ų145.673%0.73277%0.768SS**  trans154.173.5176.400000110.7
16T29.4Very low32.7Very low124 Ų124147.5 Ų147.576%0.76178%0.775SS**  cis56.276.749.868.80000115.3
17C33.3Very low32.5Very low110 Ų110141.7 Ų141.774%0.74375%0.753SS**  trans-150.5129.4131.5-86.30000105.6
18Q30.8Very low32.5Very low161 Ų161142.9 Ų142.975%0.75275%0.751SS**  58.6101.473.3-68.1-179.8-43.400109.9
19D34.2Very low32.2Very low146 Ų146144.4 Ų144.478%0.78175%0.747SS**  75.3164.383-76.3-47.6000111.2
20P39.4Very low32.2Very low111 Ų111138.1 Ų138.172%0.72173%0.73SS**  cis-106.5-148.3-17.716.27.4000109.5
21E31.3Very low32.1Very low151 Ų151135.8 Ų135.871%0.70672%0.723SS**  cis-166.5150.135.4-92.7-159.6142.300113.9
22I33Very low31.9Very low141 Ų141132 Ų13272%0.72371%0.71SS**  trans61.3142132.7-64.4177.5000120.3
23S32.3Very low32Very low103 Ų103128.3 Ų128.372%0.7271%0.707SS**  cis-173.8154.8-21-175.50000109.4
24G35.1Very low32.2Very low61 Ų61123.2 Ų123.263%0.62970%0.7SS**  trans146.3101.1173.700000110.5
25R33.2Very low32.5Very low233 Ų233122 Ų12288%0.87970%0.698SS**  53.313561-58.2-174.1168.5-166.2-0.4112.5
26V31.8Very low32.4Very low130 Ų130123.8 Ų123.879%0.78870%0.696SS**  cis-161.7143.1-8127.70000103
27G31.1Very low32.4Very low33 Ų33126.7 Ų126.734%0.3470%0.699SS.*  cis139-167.226.800000107.6
28K32.5Very low32.2Very low168 Ų168129.3 Ų129.373%0.7370%0.699SS**  trans28.1135.2143.7-62.5167.7-175.4175.30118
29K30.5Very low32.2Very low135 Ų135127 Ų12759%0.58770%0.697SS**  cis-179170.145.6-139.2174.6173.3-1730108.9K1521K29-K1521 WeakPolarHBondContact O-CD 3.44Å; K29-K1521 WeakPolarHBondContact O-CE 3.17Å; K29-K1521 PolarHBondContact O-NZ 3.03Å
30I28Very low32.1Very low109 Ų109124.1 Ų124.156%0.55969%0.686SS**  trans68.4142.5148.1-78163.9000118K1521I30-K1521 PolarHBondContact O-NZ 2.88Å
31V28.7Very low31.7Very low114 Ų114128.4 Ų128.469%0.69169%0.689SS**  cis-167.4168.7-22.177.60000108.5
32C29.3Very low31.5Very low94 Ų94127.1 Ų127.164%0.63568%0.683SS**  trans58138.4162.8-69.20000118.6
33D30.8Very low31.4Very low143 Ų143128.3 Ų128.377%0.76569%0.688SS**  cis75.4138.347.5-63.6-52.9000113.4
34P35.6Very low31.3Very low108 Ų108130 Ų13070%0.70168%0.684SS**  cis-140.1-154.2-20.536.9-15.5000113
35T36.6Very low31Very low115 Ų115131.9 Ų131.971%0.70668%0.684SS**  trans-30.9150.8148.951.40000114.2
36P33.2Very low30.8Very low109 Ų109128.9 Ų128.971%0.70868%0.679SS**  cis-139156.649.941.1-22.5000115.3
37K29.3Very low30.7Very low186 Ų186127.5 Ų127.581%0.80968%0.676SS**  30.3111.191-57.1-178.1-178.1178.80114.7
38H29Very low30.7Very low164 Ų164131.5 Ų131.576%0.75969%0.693SS**  trans172.4130.2144-97.8-64.3000104.5
39T32Very low30.6Very low113 Ų113131.2 Ų131.269%0.69369%0.694SS**  cis57.215234.581.80000113.8
40P32.4Very low30.7Very low86 Ų86131.2 Ų131.256%0.55870%0.7SS**  cis-124.1-156.4-9.411.516.4000111.4
41Y29.1Very low30.8Very low201 Ų201132.8 Ų132.879%0.78871%0.709SS**  trans68.7118.2166-52.6-62.9000116.4
42Q29.1Very low31Very low124 Ų124132.2 Ų132.258%0.57971%0.707SS**  cis5882.625.5-165.9-162.6-11.500113.9
43M29.4Very low31.4Very low166 Ų166132.1 Ų132.182%0.81871%0.705SS**  -130.5138.3117.8-86.1176.1175.900105.8
44Q30.4Very low31.3Very low137 Ų137128.1 Ų128.164%0.6469%0.689SS**  60.7128.366-67.2175.9-55.300110.9
45T29.7Very low30.8Very low101 Ų101127.4 Ų127.462%0.6269%0.686SS**  cis-151.3165.115.2-13.10000112.6
46E28.8Very low30.6Very low170 Ų170127.2 Ų127.279%0.79468%0.676SS**  trans18.4139.8131.1-76.4150.9-140.200118.8
47S29.8Very low30.5Very low101 Ų101126 Ų12671%0.70668%0.675SS**  cis-177.1-165.921.242.30000111.3
48V31.2Very low30.4Very low117 Ų117122.8 Ų122.871%0.70967%0.673SS**  trans65.493.5163.6-1740000114.5
49H30.7Very low30.3Very low163 Ų163124.3 Ų124.376%0.75568%0.68SS**  74142.781.4-84.447.2000115.8
50N30.7Very low30.3Very low134 Ų134123.3 Ų123.372%0.71768%0.684SS**  trans71.6149.3163.7-55.2-20.1000117
51I30.4Very low29.9Very low142 Ų142127 Ų12773%0.72870%0.698SS**  cis-154.1148.5-18.6-112.4163.8000107.4
52P34.6Very low30Very low103 Ų103124.8 Ų124.867%0.66970%0.698SS**  trans-95.6-169.9175.241.7-37.9000111.5
53P35.6Very low29.9Very low91 Ų91124 Ų12459%0.59171%0.706SS**  cis-122.9-148.6-22.434.1-13.2000110.7
54S29Very low30Very low60 Ų60121 Ų12142%0.4270%0.702SS.*  trans74.5154.2168.880.50000116.8N1363S54-N1363 PolarHBondContact O-OD1 2.69Å
55S26.4Very low29.9Very low92 Ų92121.4 Ų121.464%0.64371%0.714SS**  cis-168.579.3-25.2170.30000110.5N1363S55-N1363 PolarHBondContact N-OD1 2.99Å
56F30.9Very low30.1Very low111 Ų111123.1 Ų123.149%0.48772%0.723SS.*  trans-135.9123.2169.5-83-56.8000115.6S1361 N1362 N1363F56-S1361 VanDerWaalsContact CZ-CB 3.4Å; F56-N1362 VanDerWaalsContact CZ-C 3.44Å; F56-N1362 WeakPolarHBondContact CZ-O 3.08Å; F56-N1363 WeakPolarHBondContact CD2-OD1 3.4Å; F56-N1363 HydrophobicContact CE2-CB 4.27Å; F56-N1363 WeakPolarHBondContact CE2-OD1 3.22Å
57A31.2Very low30.4Very low84 Ų84118.2 Ų118.269%0.69472%0.719SS**  trans-77.8156.7137.300000107.8
58P28.3Very low30.3Very low118 Ų118119.6 Ų119.677%0.76672%0.723SS**  -138-173.463.839.7-23.1000114.8
59H26.4Very low30.5Very low197 Ų197118.9 Ų118.991%0.91272%0.721SS**  trans-56.9129.4179.5-58.3-95000113.7
60A31.3Very low30.7Very low92 Ų92116.4 Ų116.476%0.7672%0.719SS**  trans-139.1135.9156.600000109.1I62A60-I62 PolarHBondContact O-N 2.8Å
61L25.7Very low30.5Very low164 Ų164118.3 Ų118.386%0.85973%0.728SS**  trans-83111.5-177.5-72162.3000110.6
62I31Very low30.5Very low154 Ų154116.2 Ų116.279%0.7973%0.725SS**  trans-132.9121.3163.7-57.1-178000109A60 S64A60-I62 PolarHBondContact O-N 2.8Å; I62-S64 PolarHBondContact O-N 3.07Å
63S25.9Very low30.1Very low106 Ų106115.7 Ų115.774%0.74172%0.724SS**  trans-74122.1176-56.40000111.1
64S32.5Very low29.8Very low105 Ų105117.5 Ų117.573%0.73473%0.734SS**  trans-133.8112.2161.257.70000110.3I62 V66I62-S64 PolarHBondContact O-N 3.07Å; S64-V66 PolarHBondContact O-N 3.26Å
65T28.6Very low29.9Very low145 Ų145124.2 Ų124.289%0.8975%0.751SS**  trans-69.9112.7-178.747.90000111
66V33.6Very low30.1Very low136 Ų136127.1 Ų127.182%0.82476%0.758SS**  trans-107.2118160.2-178.80000107.2S64 T68S64-V66 PolarHBondContact O-N 3.26Å; V66-T68 PolarHBondContact O-N 3.41Å
67G33.6Very low30.3Very low68 Ų68130.5 Ų130.570%0.70178%0.776SS**PPolyproline II helixtrans-63.9129.8-164.300000113.7
68T28.7Very low30.1Very low129 Ų129135.8 Ų135.879%0.79179%0.786SS**PPolyproline II helixtrans-51.3129.6153.744.10000108.7V66V66-T68 PolarHBondContact O-N 3.41Å
69P35Very low30.4Very low102 Ų102133.2 Ų133.266%0.66278%0.781SS**PPolyproline II helixtrans-57.2137.8168.926.5-33.4000108.1I71P69-I71 PolarHBondContact O-N 3.44Å
70P34.7Very low30.7Very low112 Ų112132.6 Ų132.673%0.72778%0.779SS**PPolyproline II helixtrans-59.4141.2-173.124.6-34.3000110.3S72P70-S72 PolarHBondContact O-N 3.02Å
71I26.1Very low30.6Very low174 Ų174137.5 Ų137.589%0.89278%0.779SS**  trans-64.293.6167.2-62.2172.1000105.8P69 S73P69-I71 PolarHBondContact O-N 3.44Å; I71-S73 PolarHBondContact O-N 2.81Å
72S31.5Very low31.1Very low97 Ų97138.8 Ų138.868%0.67878%0.778SS**  trans-69.1106-177.456.80000108.6P70 V74P70-S72 PolarHBondContact O-N 3.02Å; S72-V74 PolarHBondContact O-N 3.16Å
73S25.7Very low31.3Very low92 Ų92138.5 Ų138.564%0.64377%0.771SS**  trans-53.4103.1172.852.80000110.2I71 Y75I71-S73 PolarHBondContact O-N 2.81Å; S73-Y75 PolarHBondContact O-N 2.93Å; S73-Y75 VanDerWaalsContact O-N 3.16Å
74V30.4Very low32.1Very low130 Ų130140.9 Ų140.979%0.78878%0.776SS**  trans-69.7106.8156.8179.20000105.3S72 L76S72-V74 PolarHBondContact O-N 3.16Å; V74-L76 PolarHBondContact O-N 2.93Å
75Y30.6Very low32.5Very low201 Ų201142.8 Ų142.879%0.78878%0.778SS**  trans-56.4123.8168.5-92.4-112.2000107.9S73 E77S73-Y75 PolarHBondContact O-N 2.93Å; S73-Y75 VanDerWaalsContact O-N 3.16Å; Y75-E77 PolarHBondContact O-N 3.24Å
76L30.1Very low33.3Very low152 Ų152144 Ų14480%0.79677%0.773SS**  trans-74.380.3162.7-82.9167.6000107.5V74V74-L76 PolarHBondContact O-N 2.93Å
77E35Very low33.5Very low182 Ų182147.5 Ų147.585%0.8578%0.777SS**  trans-61.4139.4167.1-166.7165.2-146.500108.9Y75 G79Y75-E77 PolarHBondContact O-N 3.24Å; E77-G79 PolarHBondContact O-N 2.9Å
78Q28Very low33.7Very low195 Ų195148 Ų14891%0.91178%0.776SS**  trans-75.887.8-165.5-69.9172.6-25.900111.4
79G33.4Very low34.1Very low64 Ų64151.3 Ų151.366%0.6678%0.782SS**PPolyproline II helixtrans-82.7128.5169.800000111.7E77E77-G79 PolarHBondContact O-N 2.9Å
80E33Very low34.4Very low185 Ų185152 Ų15286%0.86479%0.786SS**PPolyproline II helixtrans-67.9134.5-172.6-61.4173.3134.100112.6
81Y30.4Very low34.3Very low195 Ų195155.4 Ų155.477%0.76580%0.795SS**PPolyproline II helixtrans-77.2123.2173.7-83.2-98.8000110.7F83Y81-F83 HydrophobicContact CD1-CD2 4.09Å; Y81-F83 AromaticContact CD1-CE2 3.32Å; Y81-F83 HydrophobicContact CD1-CE2 3.32Å; Y81-F83 AromaticContact CD1-CZ 3.71Å; Y81-F83 HydrophobicContact CD1-CZ 3.71Å; Y81-F83 AromaticContact CE1-CE2 3.98Å; Y81-F83 HydrophobicContact CE1-CE2 3.98Å; Y81-F83 AromaticContact CE1-CZ 3.98Å; Y81-F83 HydrophobicContact CE1-CZ 3.98Å; Y81-F83 HydrophobicContact CG-CD2 4.48Å; Y81-F83 AromaticContact CG-CE2 3.93Å; Y81-F83 HydrophobicContact CG-CE2 3.93Å
82F35.3Very low35Very low190 Ų190154.9 Ų154.983%0.83379%0.794SS**  trans-97.4115.8153.8-93.3-99.1000108.8
83F35.1Very low35.2Very low148 Ų148154.5 Ų154.565%0.64979%0.789SS**  trans-103.2128.3161.5-76.1-84.4000107.9Y81 D85Y81-F83 HydrophobicContact CD1-CD2 4.09Å; Y81-F83 AromaticContact CD1-CE2 3.32Å; Y81-F83 HydrophobicContact CD1-CE2 3.32Å; Y81-F83 AromaticContact CD1-CZ 3.71Å; Y81-F83 HydrophobicContact CD1-CZ 3.71Å; Y81-F83 AromaticContact CE1-CE2 3.98Å; Y81-F83 HydrophobicContact CE1-CE2 3.98Å; Y81-F83 AromaticContact CE1-CZ 3.98Å; Y81-F83 HydrophobicContact CE1-CZ 3.98Å; Y81-F83 HydrophobicContact CG-CD2 4.48Å; Y81-F83 AromaticContact CG-CE2 3.93Å; Y81-F83 HydrophobicContact CG-CE2 3.93Å; F83-D85 PolarHBondContact O-N 3.04Å
84D43.2Very low35.5Very low157 Ų157158.3 Ų158.384%0.8480%0.796SS**  trans-84.989.2167.8-72-52.8000108.8E86D84-E86 PolarHBondContact O-N 3.47Å; D84-E86 VanDerWaalsContact O-N 3.12Å
85D40.4Very low35.8Very low145 Ų145160 Ų16078%0.77580%0.8SS**  trans-75.489.8175.5-78-43000111.2F83F83-D85 PolarHBondContact O-N 3.04Å
86E44.9Very low36.1Very low170 Ų170157.7 Ų157.779%0.79480%0.796SS**  trans-109.57.8178.4-145.9-169.917600114.4D84D84-E86 PolarHBondContact O-N 3.47Å; D84-E86 VanDerWaalsContact O-N 3.12Å
87F38.2Very low36.2Very low209 Ų209156.9 Ų156.992%0.91779%0.789SS**SBendtrans-139.227.9-176.5-95.1-75.1000116.4
88A37.4Very low36.3Very low80 Ų80155.2 Ų155.266%0.66179%0.786SS**  trans-113.9109.7163.300000109.6P90A88-P90 WeakPolarHBondContact O-CD 3.32Å
89E38.7Very low36.6Very low198 Ų198155.4 Ų155.493%0.92578%0.778SS**PPolyproline II helixtrans-81.7117.2161.1-79-167.3155.600108.7
90P40.9Very low36.7Very low115 Ų115157.6 Ų157.675%0.74777%0.774SS**PPolyproline II helixtrans-80131.9165-3.323.2000108.8A88A88-P90 WeakPolarHBondContact O-CD 3.32Å
91M33.2Very low36.8Very low185 Ų185155.5 Ų155.591%0.91177%0.769SS**PPolyproline II helixtrans-63.7136.5161.5-80.2-79.6177.800109.2P93M91-P93 WeakPolarHBondContact O-CD 3.35Å
92D39.3Very low37Very low162 Ų162151.9 Ų151.987%0.86676%0.763SS**  trans-109.6105.8-178.4-169.313.7000110.5
93P35.6Very low37Very low90 Ų90147.2 Ų147.258%0.58475%0.75SS**  trans-106.1144.6-178.236.8-30000114.1M91M91-P93 WeakPolarHBondContact O-CD 3.35Å
94H33.5Very low36.9Very low171 Ų171151 Ų15179%0.79276%0.76SS**  trans105.1157.4164.7-59.3-72.4000118.3
95L36.5Very low36.3Very low165 Ų165153.8 Ų153.886%0.86476%0.76SS**  trans72.3105.7-175-48.3174.9000113.7
96Q35.6Very low36.3Very low154 Ų154152.1 Ų152.172%0.7276%0.758SS**  cis62.712915-166.5172.526.400114.5
97E33.4Very low35.7Very low135 Ų135151 Ų15163%0.63176%0.756SS**  cis-157.7175.1-18-116.2175.1135.600106.7
98D35.7Very low35.5Very low147 Ų147148.5 Ų148.579%0.78675%0.749SS**  trans116.6143.3165.7-71.9-28.6000117.4
99R34.9Very low35.3Very low198 Ų198150.2 Ų150.275%0.74775%0.752SS**  cis-165.7162.1-38.2-126.7-175.6110.1155.62.5112.8
100D36.1Very low35.1Very low110 Ų110148.3 Ų148.359%0.58874%0.743SS**  trans70149.2154.3-59.8-36.8000123.5
101D35.1Very low34.7Very low141 Ų141147.6 Ų147.675%0.75474%0.74SS**  trans67.6143.4151.8-82.69000124.3
102N33.7Very low34.8Very low119 Ų119146.8 Ų146.864%0.63674%0.736SS**  cis-163.7157.4-27.6-142.4-36.7000114.1
103T35.6Very low34.5Very low93 Ų93145.5 Ų145.557%0.57173%0.73SS**  trans55.1127.9154.451.50000125.5
104R33.6Very low34.1Very low227 Ų227144.9 Ų144.986%0.85773%0.726SS**  110.3132.5121.1-97.2176.7-92.3-148.2-7.1121.9
105Y31.1Very low34Very low215 Ų215142.4 Ų142.484%0.84373%0.728SS**  trans-98.3169.3175.1-82.1-100.2000112.6
106P39Very low33.7Very low111 Ų111144.5 Ų144.572%0.72173%0.725SS**  -123.8132.3116.44.416.8000111.7
107L32Very low33.4Very low146 Ų146146.6 Ų146.676%0.76473%0.732SS**  74.1135.385.4-74.9166000113.4
108M34.3Very low33.2Very low156 Ų156145.7 Ų145.777%0.76874%0.737SS**  cis-148.5153.221.6-72.4-162.9178.100115.4
109V34.6Very low33.1Very low117 Ų117144.4 Ų144.471%0.70974%0.737SS**  trans64.1136.6133.7165.60000120.3
110Q33.9Very low33Very low158 Ų158141.1 Ų141.174%0.73874%0.741SS**  cis-153.7144.8-14.6-106.6166.1-15.900106.6
111S31.2Very low32.6Very low99 Ų99142.5 Ų142.569%0.69275%0.749SS**  58.6138.281.6-39.40000113.5
112M35.9Very low32.4Very low168 Ų168142.8 Ų142.883%0.82875%0.749SS**  cis-151.1172.814.2-14.7-169.366.600110
113D32.4Very low32.4Very low136 Ų136144.7 Ų144.773%0.72776%0.758SS**  cis-156-139.8-7.4-151.9-102.1000112.8
114C28Very low32.2Very low76 Ų76142.8 Ų142.851%0.51476%0.757SS.*  trans-97.7153.1-166.8-67.70000118.4
115S32.1Very low32.2Very low120 Ų120140.8 Ų140.884%0.83976%0.757SS**  165.4121.1115.7-74.80000110.8
116R28.7Very low32.2Very low208 Ų208135.9 Ų135.979%0.78575%0.754SS**  cis94.278.624.3-157.4-150.1-59.3-145.57116.2
117K29.7Very low31.8Very low199 Ų199141.9 Ų141.987%0.86576%0.762SS**  -177.3158.9128.1-101.9170.4-178.3-177.90113.7
118P29Very low31.7Very low115 Ų115139.1 Ų139.175%0.74776%0.755SS**  trans-111.3165.4-174.441.3-33.5000115.4
119P33.8Very low31.4Very low120 Ų120139 Ų13978%0.77976%0.758SS**  trans-98.2169.3164.638.2-32.3000113.6
120P32.8Very low31.1Very low129 Ų129138.3 Ų138.384%0.83876%0.758SS**  trans-121.4-169.3-157.644.5-32.9000117
121D28.8Very low30.8Very low140 Ų140136.2 Ų136.275%0.74976%0.759SS**  trans-63.5154.3-174.4-83.4-57.4000120.2
122L31.3Very low30.6Very low146 Ų146138.6 Ų138.676%0.76476%0.763SS**  trans66.5163.2137.1-75.9163000123.2
123I33.6Very low30.1Very low160 Ų160139.1 Ų139.182%0.82176%0.761SS**  trans71.6136171.9-52.9121.1000115.1
124G30.9Very low29.8Very low53 Ų53135.8 Ų135.855%0.54675%0.748SS.*  cis160.7143.9-10.700000113.5
125H33.3Very low30Very low185 Ų185134.9 Ų134.986%0.85674%0.741SS**  trans66.8128.2169.5-43.6-65.2000116
126S31.1Very low30Very low112 Ų112132.1 Ų132.178%0.78372%0.719SS**  cis9593.340.7-169.20000113.6
127R30.8Very low30Very low236 Ų236127.4 Ų127.489%0.89171%0.71SS**  trans-171.2115.9163.5-95.5153.5-177.6-170.3-0.8104.7
128S28.8Very low29.9Very low88 Ų88122.3 Ų122.362%0.61570%0.699SS**  cis94.2141.848800000112.9
129D29.1Very low30Very low155 Ų155126.3 Ų126.383%0.82970%0.699SS**  trans76.2170.1163-45-53.6000118.7
130S28.7Very low29.8Very low102 Ų102126.7 Ų126.771%0.71369%0.691SS**  trans-112.2154.7-150.953.80000114.9
131C26.3Very low29.8Very low113 Ų113125.2 Ų125.276%0.76468%0.683SS**  trans78.8144.9164-59.80000118.4
132I27.3Very low29.9Very low150 Ų150121.8 Ų121.877%0.76968%0.681SS**  trans71.8117.7152-69.2163.7000118.7
133F25.5Very low30Very low179 Ų179122.5 Ų122.579%0.78569%0.685SS**  trans41124.6147.4-77.5-104.3000121.7
134S27.3Very low30Very low65 Ų65119.1 Ų119.146%0.45568%0.675SS.*  88162.6127.3-72.40000121.1G514S134-G514 WeakPolarHBondContact CB-O 3.36Å; S134-G514 PolarHBondContact OG-O 3.22Å
135P32.3Very low30.1Very low57 Ų57123.6 Ų123.637%0.3769%0.687SS.*  cis-148.8-169-47.543.4-26000114.9N515 S516P135-N515 WeakPolarHBondContact CG-OD1 3.35Å; P135-S516 WeakPolarHBondContact CD-OG 3.45Å
136V31.5Very low30Very low63 Ų63118.6 Ų118.638%0.38267%0.673SS.*  trans63.9122.9139.3172.90000121.2K513V136-K513 HydrophobicContact CG2-CB 3.8Å; V136-K513 HydrophobicContact CG2-CD 3.62Å; V136-K513 HydrophobicContact CG2-CG 3.61Å
137N27.3Very low30.1Very low109 Ų109122.1 Ų122.158%0.58367%0.674SS**  trans87.5125.4156.5-67.9-8.6000117.5K513N137-K513 PolarHBondContact OD1-NZ 3.28Å
138S29.5Very low30.1Very low92 Ų92118.1 Ų118.164%0.64367%0.669SS**  cis80.8151.334.4-530000114
139R30.2Very low30.1Very low198 Ų198118 Ų11875%0.74767%0.674SS**  trans80.1138.8176.3-49.9-170.795.4173.6-3.2113.5
140E30Very low30.3Very low129 Ų129114.3 Ų114.360%0.60367%0.671SS**  cis-162.3174-7.2-125.9165.3-176.800114.6
141S31.6Very low30.3Very low97 Ų97116 Ų11668%0.67867%0.673SS**  trans45.9133139.7-59.80000122.4
142G32.1Very low30.5Very low69 Ų69117.3 Ų117.371%0.71167%0.667SS**  trans166.562.2171.900000107.8
143L33.6Very low30.6Very low160 Ų160118.6 Ų118.684%0.83867%0.668SS**  60.4130.585.3-62.2173.6000110.9
144S33.4Very low30.8Very low89 Ų89114 Ų11462%0.62266%0.657SS**  cis-161.8153.218.147.80000112.2
145D32Very low30.9Very low148 Ų148117 Ų11779%0.79167%0.669SS**  trans57.8149.1137.9-66.5-33.7000122.7
146S32.5Very low30.7Very low80 Ų80120.2 Ų120.256%0.55968%0.683SS**  cis-170164.2-19.862.80000110.8
147K33Very low30.7Very low185 Ų185123.6 Ų123.680%0.80470%0.697SS**  trans65.7154.4149.5-73.5169.5176.4176.30117.4
148I30.3Very low30.8Very low152 Ų152124.3 Ų124.378%0.77970%0.701SS**  cis-147.9175-10-129.1161.1000111.7
149A29.4Very low30.8Very low87 Ų87126.8 Ų126.872%0.71970%0.702SS**  trans-46164.1-176.800000119
150G31.9Very low30.7Very low76 Ų76124.8 Ų124.878%0.78470%0.701SS**  trans-164.626-178.200000118.7
151N29Very low30.6Very low139 Ų139129 Ų12974%0.74371%0.712SS**  trans34.7132.8156.7-75.97.1000123.8
152H30.1Very low30.5Very low140 Ų140130.8 Ų130.865%0.64871%0.713SS**  93.9145.8129.5-99.8-108.5000123.6
153F30Very low30.2Very low177 Ų177131.6 Ų131.678%0.77671%0.707SS**  trans65.8144.4160-60.8-54000119.4
154S29.4Very low29.9Very low81 Ų81130.8 Ų130.857%0.56670%0.704SS**  cis-171.3159.9-28.7-1420000110.2
155N29.7Very low29.5Very low130 Ų130131.8 Ų131.870%0.69571%0.71SS**  trans68.4147.8155.2-56.2-1.2000116.2
156N28.6Very low29.2Very low124 Ų124135.3 Ų135.366%0.66371%0.712SS**  cis-165.6167.5-10.5-119.1-8.7000110.4
157I31.4Very low29Very low134 Ų134138.8 Ų138.869%0.68772%0.724SS**  trans65125.1146.4-70164.1000116.7
158N29.5Very low28.7Very low123 Ų123134.5 Ų134.566%0.65872%0.723SS**  cis-157.11552.3-108.84.9000111.9
159H28.6Very low28.6Very low145 Ų145136.1 Ų136.167%0.67173%0.727SS**  trans30.2141.5137.5-63.7-118.6000120.3
160E29.8Very low28.7Very low155 Ų155139.3 Ų139.372%0.72473%0.732SS**  cis-159.7153.210.6-118.7151.8-16100108.2
161R27.7Very low28.6Very low218 Ų218140.9 Ų140.982%0.82373%0.728SS**  cis65136.449.8-91.5-168.9174.3-164.1-1.1112.9
162L28.4Very low28.4Very low134 Ų134140 Ų14070%0.70272%0.723SS**  cis-148.8143.8-0.3-80.4151.5000106.1
163S27Very low28.1Very low86 Ų86140.1 Ų140.160%0.60173%0.729SS**  69.2117.86487.80000118.8
164N26.3Very low28Very low144 Ų144138.9 Ų138.977%0.7773%0.729SS**  trans77.3111.8140.5-64.21.1000124.2
165C24.4Very low27.8Very low109 Ų109143 Ų14374%0.73674%0.739SS**  69.7136.9114.1-59.20000125.4
166R26.5Very low27.7Very low223 Ų223140.4 Ų140.484%0.84273%0.731SS**  trans85.9117134.6-84.8179.4175.3178.2-1.2122.9
167N29.1Very low27.6Very low152 Ų152141.8 Ų141.881%0.81374%0.739SS**  47114.5122.4-57.116.4000122.1
168A26.2Very low27.3Very low95 Ų95142.3 Ų142.379%0.78574%0.741SS**  trans176.5148.9142.800000108.7
169Q27.2Very low27.3Very low186 Ų186142.7 Ų142.787%0.86974%0.743SS**  cis-156.5174.5-19.2-148.1160.6-7300109.3
170L32.3Very low27.4Very low154 Ų154144.8 Ų144.881%0.80675%0.753SS**  trans-58.6156.6170.5-91.294.6000112.7
171P30.3Very low27.3Very low109 Ų109145.4 Ų145.471%0.70875%0.753SS**  -142.9145.4100.937.9-24.1000117
172N24.7Very low27.1Very low120 Ų120141.3 Ų141.364%0.64275%0.747SS**  trans48.9116.4133.3-54.8-11000122.6
173N24.2Very low27Very low143 Ų143138.2 Ų138.277%0.76574%0.741SS**  trans66.5174.3131.4-54.5-15.7000118.7
174I26.9Very low26.8Very low152 Ų152141.3 Ų141.378%0.77975%0.751SS**  trans68.6114.7170.2-55.1174.1000113
175E26Very low26.8Very low166 Ų166142.2 Ų142.278%0.77675%0.751SS**  cis-163.8-173.9-4.6-144.1168.2-167.400111.2
176S26.2Very low26.9Very low77 Ų77141 Ų14154%0.53874%0.744SS.*  trans25.4115.5153.755.70000120
177N26Very low27Very low153 Ų153137.7 Ų137.782%0.81874%0.735SS**  69.4160.769.3-66.3-40.1000114.8
178I26.5Very low26.8Very low144 Ų144137 Ų13774%0.73873%0.731SS**  trans74.1121165.3-51130.3000113.2
179L28.6Very low27Very low132 Ų132139 Ų13969%0.69173%0.728SS**  cis-120.4153.45.3-64.592.3000109.1K181L179-K181 HydrophobicContact CD2-CB 4.18Å; L179-K181 HydrophobicContact CD2-CD 4.06Å; L179-K181 HydrophobicContact CD2-CG 4.41Å
180Q31.4Very low27Very low189 Ų189134.6 Ų134.688%0.88372%0.717SS**  cis52.4853.2-151.1-174.27200117.8
181K26.7Very low26.8Very low168 Ų168133.6 Ų133.673%0.7371%0.712SS**  trans174.1149.8154.9-94.1178.5-171.5172.90105.3L179L179-K181 HydrophobicContact CD2-CB 4.18Å; L179-K181 HydrophobicContact CD2-CD 4.06Å; L179-K181 HydrophobicContact CD2-CG 4.41Å
182N24.4Very low26.8Very low131 Ų131136.4 Ų136.470%0.70171%0.713SS**  cis-147.2147.1-11.6-115.2-6.1000106.6
183A25.7Very low27.1Very low69 Ų69139 Ų13957%0.5772%0.719SS**  50131.390.100000114.9
184N24.3Very low27.2Very low151 Ų151135 Ų13581%0.80771%0.71SS**  trans4999.1158.2-52.8-12.3000116.9
185E26.3Very low27.1Very low164 Ų164136.1 Ų136.177%0.76671%0.71SS**  -162.4125.2100.8-94.9-170.6146.200108.5K187E185-K187 IonicContact OE1-NZ 3.97Å
186S25.1Very low27.1Very low84 Ų84134.2 Ų134.259%0.58771%0.709SS**  83.7137.661.8-690000112.9
187K28.1Very low27Very low153 Ų153139.8 Ų139.867%0.66572%0.72SS**  trans65.8108.7154-62151.3-166.7165.30116.4E185E185-K187 IonicContact OE1-NZ 3.97Å
188N26.6Very low26.9Very low137 Ų137137.4 Ų137.473%0.73370%0.704SS**  80.3152.4117.8-62.2-9.2000117.8
189L28.7Very low26.8Very low137 Ų137132.3 Ų132.372%0.71768%0.683SS**  cis-137.51257.9-148.557000107.6
190C27.4Very low26.7Very low94 Ų94131.4 Ų131.464%0.63569%0.688SS**  65.3154.9116.9-73.80000121.9
191L29.2Very low26.4Very low133 Ų133129.6 Ų129.670%0.69668%0.684SS**  cis-153.2168.9-8.8-77.7131.4000104.3
192K30.8Very low26.5Very low168 Ų168129.5 Ų129.573%0.7369%0.687SS**  cis-169.9151.7-14.5-101.5174.7178.2157.20101.9
193K30.1Very low26.7Very low175 Ų175127.7 Ų127.776%0.76168%0.68SS**  cis-156.6152.4-1.8-98.5166.9167.9-168.50102.9
194G26.5Very low26.8Very low57 Ų57129 Ų12959%0.58869%0.685SS**  cis113.113715.200000109.9
195F25.5Very low26.9Very low176 Ų176127.2 Ų127.277%0.77267%0.672SS**  trans72.9120.7178.7-54-77.1000113.6Y197F195-Y197 HydrophobicContact CD1-CD2 4.49Å
196V24.8Very low27Very low126 Ų126124.9 Ų124.976%0.76467%0.669SS**  cis64.4143.714-170.50000114
197Y24Very low27.1Very low194 Ų194127 Ų12776%0.76167%0.673SS**  trans85.2143.9-167.3-69.8-99.4000115F195F195-Y197 HydrophobicContact CD1-CD2 4.49Å
198Q24.5Very low27Very low104 Ų104127.6 Ų127.649%0.48668%0.676SS.*  cis177.8148-31.8157.6161.8-1.600107.5S907Q198-S907 PolarHBondContact NE2-OG 3.03Å
199A23.9Very low27Very low36 Ų36127.1 Ų127.130%0.29867%0.674SS.*  trans63.6169164.600000119.2S906A199-S906 PolarHBondContact N-OG 3.42Å
200S26.7Very low26.9Very low114 Ų114127.2 Ų127.280%0.79768%0.675SS**  trans80.1114.5164.3-54.20000118.5
201N25.6Very low26.9Very low150 Ų150126.9 Ų126.980%0.80267%0.667SS**  trans-43.4158.4147.1-48.5-22.1000109.9
202E28.1Very low26.8Very low167 Ų167123.3 Ų123.378%0.7866%0.656SS**  -151.4175.151.1-73.7179.4154.500114.2
203T29Very low26.6Very low92 Ų92119.3 Ų119.356%0.56465%0.65SS**  trans-68.4128.9-176.345.40000115.3I901T203-I901 HydrophobicContact CG2-CG2 3.92Å
204S27.7Very low26.5Very low97 Ų97116.6 Ų116.668%0.67864%0.64SS**  trans-177118134.323.80000107.3
205E26Very low26.5Very low114 Ų114120 Ų12053%0.53364%0.64SS.*  74157.567.6-69.2-101.1124.800113.4I901E205-I901 HydrophobicContact CG-CD1 3.83Å
206V29Very low26.4Very low115 Ų115116.6 Ų116.670%0.69763%0.626SS**  trans77.672.8175.9-162.50000117.1
207D26.2Very low26.4Very low127 Ų127114 Ų11468%0.67961%0.61SS**  73.1161.7118.2-59.4-30.4000125
208F27.6Very low26.4Very low166 Ų166109.4 Ų109.473%0.72861%0.606SS**  trans70102.2156.6-60.4-58.6000121
209N26.6Very low26.4Very low127 Ų127113.5 Ų113.568%0.67963%0.625SS**  32.3113.3112.7-58.6-15.7000116.2
210N26.1Very low26.4Very low139 Ų139117.3 Ų117.374%0.74365%0.65SS**  -175.3161.973.3-94.8-41.8000113.4
211D26.8Very low26.4Very low87 Ų87121.3 Ų121.347%0.46566%0.656SS.*  trans37.489144.4-68-24.4000119.5N1328 N1329D211-N1328 PolarHBondContact O-ND2 3.5Å; D211-N1328 PolarHBondContact O-OD1 3.1Å; D211-N1329 PolarHBondContact OD2-ND2 3.12Å
212A27Very low26.4Very low58 Ų58117.3 Ų117.348%0.47965%0.65SS.*  trans37.3129.513200000122.2S1327 N1328A212-S1327 WeakPolarHBondContact O-CB 3.28Å; A212-S1327 PolarHBondContact O-OG 3.18Å; A212-N1328 WeakPolarHBondContact CB-OD1 3.46Å; A212-N1328 VanDerWaalsContact O-CG 3.24Å; A212-N1328 PolarHBondContact O-ND2 3.29Å; A212-N1328 PolarHBondContact O-OD1 3.07Å
213S26.7Very low26.1Very low85 Ų85113.8 Ų113.859%0.59464%0.644SS**  -152.6140.1127.1-1500000108.9S1327S213-S1327 WeakPolarHBondContact CB-OG 3.4Å; S213-S1327 VanDerWaalsContact OG-CB 3.23Å; S213-S1327 WeakPolarHBondContact OG-CB 3.27Å; S213-S1327 PolarHBondContact OG-OG 2.83Å
214Q27.8Very low26Very low117 Ų117114.8 Ų114.855%0.54765%0.649SS.*BIsolated β-bridgetrans-139.767.7-160.367.7105.212.500113.6F216 A1325 N1326Q214-F216 VanDerWaalsContact C-N 3.27Å; Q214-F216 PolarHBondContact O-N 3.3Å; Q214-A1325 CarbonylContact C-O 3.59Å; Q214-A1325 PolarHBondContact N-O 3.42Å; Q214-N1326 HydrophobicContact CG-CB 4.21Å; Q214-N1326 WeakPolarHBondContact CG-ND2 3.49Å
215Q26.5Very low25.8Very low129 Ų129115.2 Ų115.260%0.60364%0.641SS**  trans-72.770.3-170.3-161.659.718.100111.4S1324 A1325Q215-S1324 VanDerWaalsContact CD-C 3.41Å; Q215-S1324 PolarHBondContact NE2-O 3.25Å; Q215-S1324 VanDerWaalsContact O-CB 3.22Å; Q215-S1324 WeakPolarHBondContact O-CB 3.19Å; Q215-S1324 PolarHBondContact O-OG 3.43Å; Q215-S1324 VanDerWaalsContact OE1-C 3.25Å; Q215-S1324 PolarHBondContact OE1-O 3.46Å; Q215-A1325 PolarHBondContact N-O 2.77Å
216F24.3Very low25.9Very low105 Ų105119.6 Ų119.646%0.46165%0.654SS.*  trans14.9154.7177.8-51.9171.9000120.2Q214 S1324 A1325Q214-F216 VanDerWaalsContact C-N 3.27Å; Q214-F216 PolarHBondContact O-N 3.3Å; F216-S1324 WeakPolarHBondContact CB-OG 3.39Å; F216-S1324 PolarHBondContact N-OG 2.77Å; F216-S1324 PolarHBondContact O-OG 3.47Å; F216-S1324 VanDerWaalsContact O-OG 3.12Å; F216-A1325 HydrophobicContact CD2-CB 4.39Å; F216-A1325 HydrophobicContact CE2-CB 3.66Å; F216-A1325 HydrophobicContact CZ-CB 4.32Å
217T24.7Very low25.7Very low72 Ų72120.8 Ų120.844%0.44266%0.656SS.*  141.114499.2-23.30000114.6N1323T217-N1323 WeakPolarHBondContact OG1-CA 3.31Å; T217-N1323 WeakPolarHBondContact OG1-CB 3.45Å; T217-N1323 PolarHBondContact OG1-ND2 3.27Å; T217-N1323 PolarHBondContact OG1-OD1 3.4Å
218S23.7Very low25.8Very low96 Ų96118.8 Ų118.867%0.67166%0.657SS**  trans50.574.1148.862.20000117.7
219E24.4Very low25.9Very low190 Ų190116.6 Ų116.689%0.88866%0.662SS**  trans-148.7160.4134.3-121.2159.6-151.400112.4Q221E219-Q221 PolarHBondContact O-N 2.98Å
220S24.9Very low26.1Very low116 Ų116114.7 Ų114.781%0.81167%0.673SS**  trans-49.6106.2-165.148.30000117.1
221Q25.5Very low26.4Very low199 Ų199113.2 Ų113.293%0.9367%0.673SS**  trans-91.6139.4148.4-65.8-173.4-4.900109.3E219E219-Q221 PolarHBondContact O-N 2.98Å
222G25Very low27.2Very low66 Ų66113.6 Ų113.668%0.6868%0.679SS**  cis140.1107.34.900000108.3V224G222-V224 PolarHBondContact O-N 2.7Å
223S23.2Very low28.4Very low93 Ų93113.7 Ų113.765%0.6568%0.676SS**  trans-76.4119.7-166.563.60000113
224V25.5Very low30.3Very low112 Ų112118.5 Ų118.568%0.67968%0.681SS**  trans-9698.5159.2-177.60000108.3G222 Y226G222-V224 PolarHBondContact O-N 2.7Å; V224-Y226 HydrophobicContact CB-CE2 4.38Å; V224-Y226 HydrophobicContact CG1-CD2 3.96Å; V224-Y226 HydrophobicContact CG1-CE2 3.56Å; V224-Y226 PolarHBondContact O-N 2.83Å; V224-Y226 VanDerWaalsContact O-N 3.16Å
225H24.1Very low31.6Very low106 Ų106114.7 Ų114.749%0.49166%0.664SS.*  trans-74.698.4177.5-113.9-90.2000110.5N227 I982H225-N227 PolarHBondContact ND1-OD1 2.79Å; H225-N227 PolarHBondContact O-N 3.15Å; H225-I982 VanDerWaalsContact NE2-CD1 3.34Å; H225-I982 WeakPolarHBondContact NE2-CD1 3.35Å
226Y27.5Very low33.2Very low206 Ų206112.6 Ų112.681%0.80865%0.654SS**  trans-76.670.5167-78.1-80000110.8V224 A228V224-Y226 HydrophobicContact CB-CE2 4.38Å; V224-Y226 HydrophobicContact CG1-CD2 3.96Å; V224-Y226 HydrophobicContact CG1-CE2 3.56Å; V224-Y226 PolarHBondContact O-N 2.83Å; V224-Y226 VanDerWaalsContact O-N 3.16Å; Y226-A228 VanDerWaalsContact C-N 3.27Å; Y226-A228 PolarHBondContact O-N 3.27Å
227N25.2Very low35.2Very low141 Ų141110.2 Ų110.275%0.75465%0.645SS**  trans-7579.5169-74.81.9000109.5H225H225-N227 PolarHBondContact ND1-OD1 2.79Å; H225-N227 PolarHBondContact O-N 3.15Å
228A28.4Very low36.9Very low85 Ų85109.9 Ų109.970%0.70264%0.64SS**  trans-133.9145.918000000112.5Y226Y226-A228 VanDerWaalsContact C-N 3.27Å; Y226-A228 PolarHBondContact O-N 3.27Å
229S29.4Very low38.9Very low119 Ų119107.3 Ų107.383%0.83262%0.618SS**  trans-61.5129.7-165.7-62.90000116.4S231S229-S231 PolarHBondContact O-N 3.03Å
230G31.4Very low40.8Very low87 Ų87103.4 Ų103.490%0.89760%0.6SS**SBend81.3-8.2105.700000119.8
231S32.9Very low42.7Very low108 Ų108105.6 Ų105.676%0.75559%0.591SS**  trans-146.8112170.264.90000113.8S229S229-S231 PolarHBondContact O-N 3.03Å
232T42.9Very low44.5Very low96 Ų9697 Ų9759%0.58955%0.553SS**  trans-103.1121.4162.947.70000109.5
233S53.1Low45.9Very low60 Ų60100.5 Ų100.542%0.4257%0.565SS.*  trans-59.3141.2173.8172.60000110.4M235 H236 M237S233-M235 PolarHBondContact O-N 2.86Å; S233-M235 VanDerWaalsContact O-N 3.13Å; S233-M235 WeakPolarHBondContact OG-CB 3.13Å; S233-M235 PolarHBondContact OG-N 3.16Å; S233-H236 WeakPolarHBondContact O-CA 3.49Å; S233-H236 WeakPolarHBondContact O-CB 3.29Å; S233-H236 PolarHBondContact O-N 3.12Å; S233-M237 PolarHBondContact O-N 3.02Å
234W65.7Low47.8Very low185 Ų18599.6 Ų99.670%0.70155%0.553SS**Hα-helixtrans-53.3-31.9171.3171.129.7000111.8M237 L238W234-M237 PolarHBondContact O-N 3.02Å; W234-L238 HydrophobicContact CZ2-CD1 4.35Å; W234-L238 WeakPolarHBondContact O-CG 3.33Å; W234-L238 PolarHBondContact O-N 3.43Å
235M55.6Low50.1Low37 Ų3799 Ų9918%0.18255%0.551CS.*Hα-helixtrans-60.6-45172.8-161.885.9149.800111.9S233 L238 M239 I251 T254 A255 Y260S233-M235 PolarHBondContact O-N 2.86Å; S233-M235 VanDerWaalsContact O-N 3.13Å; S233-M235 WeakPolarHBondContact OG-CB 3.13Å; S233-M235 PolarHBondContact OG-N 3.16Å; M235-L238 WeakPolarHBondContact O-CB 3.42Å; M235-L238 PolarHBondContact O-N 3.21Å; M235-M239 HydrophobicContact CG-CE 4.48Å; M235-M239 WeakPolarHBondContact O-CG 3.17Å; M235-M239 PolarHBondContact O-N 2.8Å; M235-I251 HydrophobicContact CE-CG2 3.81Å; M235-I251 HydrophobicContact CG-CG2 3.98Å; M235-I251 HydrophobicContact SD-CG2 3.85Å; M235-T254 HydrophobicContact CE-CG2 4Å; M235-A255 HydrophobicContact CE-CB 3.99Å; M235-Y260 WeakPolarHBondContact CB-OH 3.46Å; M235-Y260 VanDerWaalsContact CG-OH 3.29Å; M235-Y260 WeakPolarHBondContact CG-OH 3.26Å
236H60.9Low52Low86 Ų86101.4 Ų101.440%0.39856%0.562SS.*Hα-helixtrans-63.1-46.9176-162.8-84.4000110.8S233 L238 M239 E240S233-H236 WeakPolarHBondContact O-CA 3.49Å; S233-H236 WeakPolarHBondContact O-CB 3.29Å; S233-H236 PolarHBondContact O-N 3.12Å; H236-L238 PolarHBondContact O-N 3.22Å; H236-M239 HydrophobicContact CB-CE 4.42Å; H236-M239 CarbonylContact O-C 3.54Å; H236-M239 PolarHBondContact O-N 3.01Å; H236-E240 IonicContact CE1-OE1 3.71Å; H236-E240 PolarHBondContact CE1-OE1 3.2Å; H236-E240 VanDerWaalsContact CE1-OE1 3.31Å; H236-E240 IonicContact CE1-OE2 3.31Å; H236-E240 IonicContact ND1-OE1 3.84Å; H236-E240 IonicContact ND1-OE2 3.54Å; H236-E240 PolarHBondContact ND1-OE2 2.86Å; H236-E240 WeakPolarHBondContact O-CG 3.46Å; H236-E240 PolarHBondContact O-N 3.26Å
237M64.9Low53.7Low55 Ų5595.1 Ų95.127%0.27154%0.542SS..Hα-helixtrans-62.3-27.9178.7-159.2-176.7-62.300113.1S233 W234 R241S233-M237 PolarHBondContact O-N 3.02Å; W234-M237 PolarHBondContact O-N 3.02Å; M237-R241 WeakPolarHBondContact O-CB 3.48Å; M237-R241 WeakPolarHBondContact O-CG 3.4Å; M237-R241 PolarHBondContact O-N 2.93Å
238L60.1Low55.9Low65 Ų6593.9 Ų93.934%0.3453%0.527SS..Hα-helixtrans-74.7-47.2168.7-78.5170.2000112W234 M235 H236 E240 R241 S242 I251W234-L238 HydrophobicContact CZ2-CD1 4.35Å; W234-L238 WeakPolarHBondContact O-CG 3.33Å; W234-L238 PolarHBondContact O-N 3.43Å; M235-L238 WeakPolarHBondContact O-CB 3.42Å; M235-L238 PolarHBondContact O-N 3.21Å; H236-L238 PolarHBondContact O-N 3.22Å; L238-E240 PolarHBondContact O-N 2.91Å; L238-R241 PolarHBondContact O-N 3.28Å; L238-S242 VanDerWaalsContact O-CB 3.32Å; L238-S242 WeakPolarHBondContact O-CB 3.44Å; L238-S242 PolarHBondContact O-N 2.86Å; L238-S242 PolarHBondContact O-OG 3.36Å; L238-I251 HydrophobicContact CB-CD1 4.19Å
239M65.5Low57.9Low42 Ų4291.7 Ų91.721%0.20751%0.509CS..Hα-helixtrans-59.1-34.5177.3-71.3-173.5-6300112.3M235 H236 R248 I251 N252M235-M239 HydrophobicContact CG-CE 4.48Å; M235-M239 WeakPolarHBondContact O-CG 3.17Å; M235-M239 PolarHBondContact O-N 2.8Å; H236-M239 HydrophobicContact CB-CE 4.42Å; H236-M239 CarbonylContact O-C 3.54Å; H236-M239 PolarHBondContact O-N 3.01Å; M239-R248 PolarHBondContact O-NE 2.74Å; M239-R248 PolarHBondContact O-NH2 2.81Å; M239-I251 HydrophobicContact CG-CB 4.34Å; M239-I251 HydrophobicContact CG-CG2 3.41Å; M239-I251 VanDerWaalsContact CG-CG2 3.41Å; M239-I251 HydrophobicContact SD-CG2 3.95Å; M239-N252 PolarHBondContact SD-OD1 3.3Å; M239-N252 VanDerWaalsContact SD-OD1 3.38Å
240E65.6Low59.8Low108 Ų10891 Ų9151%0.50550%0.495SS..Hα-helixtrans-75-38.6176.3-70.2173.6120.800113H236 L238H236-E240 IonicContact CE1-OE1 3.71Å; H236-E240 PolarHBondContact CE1-OE1 3.2Å; H236-E240 VanDerWaalsContact CE1-OE1 3.31Å; H236-E240 IonicContact CE1-OE2 3.31Å; H236-E240 IonicContact ND1-OE1 3.84Å; H236-E240 IonicContact ND1-OE2 3.54Å; H236-E240 PolarHBondContact ND1-OE2 2.86Å; H236-E240 WeakPolarHBondContact O-CG 3.46Å; H236-E240 PolarHBondContact O-N 3.26Å; L238-E240 PolarHBondContact O-N 2.91Å
241R65.1Low61.6Low162 Ų16287.7 Ų87.761%0.61146%0.457SS*.Hα-helixtrans-96.8-6.3-171.8-69.1-179.9157.788.4-3.8115.2M237 L238 C243M237-R241 WeakPolarHBondContact O-CB 3.48Å; M237-R241 WeakPolarHBondContact O-CG 3.4Å; M237-R241 PolarHBondContact O-N 2.93Å; L238-R241 PolarHBondContact O-N 3.28Å; R241-C243 PolarHBondContact O-N 3.01Å
242S62.2Low63.2Low19 Ų1986.6 Ų86.613%0.13344%0.443CS..  trans-78.5107.2-179.368.20000112.9L238 N244L238-S242 VanDerWaalsContact O-CB 3.32Å; L238-S242 WeakPolarHBondContact O-CB 3.44Å; L238-S242 PolarHBondContact O-N 2.86Å; L238-S242 PolarHBondContact O-OG 3.36Å; S242-N244 PolarHBondContact O-N 3.07Å
243C54.9Low64.3Low138 Ų13890.8 Ų90.893%0.93245%0.448SS*.  trans-72.5-0.9173.5-510000114.6R241R241-C243 PolarHBondContact O-N 3.01Å
244N63.9Low64.8Low75 Ų7590.9 Ų90.940%0.40145%0.446SS..  trans-101.6117.8179.3177.9-11.2000110.2S242 E246 L247 R248S242-N244 PolarHBondContact O-N 3.07Å; N244-E246 PolarHBondContact O-N 3.39Å; N244-E246 WeakPolarHBondContact OD1-CB 3.16Å; N244-E246 PolarHBondContact OD1-N 2.9Å; N244-L247 HydrophobicContact CB-CB 3.96Å; N244-L247 PolarHBondContact O-N 3.39Å; N244-L247 PolarHBondContact OD1-N 3.47Å; N244-R248 PolarHBondContact O-N 3.36Å
245P73Confident64.3Low98 Ų9883.2 Ų83.264%0.63642%0.422SS*.Hα-helixtrans-67.8-30.4-178.628.4-35.2000113.7R248 A249P245-R248 PolarHBondContact O-N 3.37Å; P245-A249 WeakPolarHBondContact O-CB 3.31Å; P245-A249 PolarHBondContact O-N 3.44Å
246E63.3Low64.4Low157 Ų15785.4 Ų85.473%0.73445%0.446SS*.Hα-helixtrans-69.3-40.6176.2-63.2-170.5141.900111.3N244 R248 A249 L250N244-E246 PolarHBondContact O-N 3.39Å; N244-E246 WeakPolarHBondContact OD1-CB 3.16Å; N244-E246 PolarHBondContact OD1-N 2.9Å; E246-R248 VanDerWaalsContact C-N 3.34Å; E246-A249 PolarHBondContact O-N 3.18Å; E246-L250 WeakPolarHBondContact O-CB 3.39Å; E246-L250 PolarHBondContact O-N 3.19Å
247L64.3Low64.1Low74 Ų7485.5 Ų85.539%0.38746%0.462SS..Hα-helixtrans-64.1-42.1174.5-17860.5000110.6N244 L250 I251N244-L247 HydrophobicContact CB-CB 3.96Å; N244-L247 PolarHBondContact O-N 3.39Å; N244-L247 PolarHBondContact OD1-N 3.47Å; L247-L250 PolarHBondContact O-N 3.38Å; L247-I251 HydrophobicContact CD1-CD1 3.93Å; L247-I251 HydrophobicContact CD1-CG1 4.21Å; L247-I251 HydrophobicContact CG-CD1 3.86Å; L247-I251 HydrophobicContact CG-CG1 4.5Å; L247-I251 WeakPolarHBondContact O-CB 3.27Å; L247-I251 VanDerWaalsContact O-CG1 3.26Å; L247-I251 WeakPolarHBondContact O-CG1 3.46Å; L247-I251 PolarHBondContact O-N 3.5Å
248R71.8Confident63.5Low116 Ų11686.7 Ų86.744%0.43847%0.472SS..Hα-helixtrans-60.9-45.1174.7-142.6174.9-159.8-1663.9111.3M239 N244 P245 E246 L250 I251 N252M239-R248 PolarHBondContact O-NE 2.74Å; M239-R248 PolarHBondContact O-NH2 2.81Å; N244-R248 PolarHBondContact O-N 3.36Å; P245-R248 PolarHBondContact O-N 3.37Å; E246-R248 VanDerWaalsContact C-N 3.34Å; R248-L250 PolarHBondContact O-N 3.03Å; R248-I251 PolarHBondContact O-N 3.36Å; R248-N252 WeakPolarHBondContact O-CB 3.21Å; R248-N252 PolarHBondContact O-N 3.46Å; R248-N252 PolarHBondContact O-OD1 3.49Å; R248-N252 VanDerWaalsContact O-OD1 3.09Å
249A70Confident62.9Low39 Ų3987.7 Ų87.732%0.32248%0.477SS..Hα-helixtrans-66.7-34.5176.400000113.4P245 E246 R253P245-A249 WeakPolarHBondContact O-CB 3.31Å; P245-A249 PolarHBondContact O-N 3.44Å; E246-A249 PolarHBondContact O-N 3.18Å; A249-R253 WeakPolarHBondContact O-CB 3.47Å; A249-R253 VanDerWaalsContact O-CG 3.3Å; A249-R253 WeakPolarHBondContact O-CG 3.47Å; A249-R253 PolarHBondContact O-N 2.94Å
250L69.8Low61.4Low103 Ų10390.1 Ų90.154%0.53949%0.485SS..Hα-helixtrans-68.5-46174.3-179.963.9000111.5E246 L247 R248 R253 T254E246-L250 WeakPolarHBondContact O-CB 3.39Å; E246-L250 PolarHBondContact O-N 3.19Å; L247-L250 PolarHBondContact O-N 3.38Å; R248-L250 PolarHBondContact O-N 3.03Å; L250-R253 PolarHBondContact O-N 3.02Å; L250-T254 PolarHBondContact O-N 2.84Å; L250-T254 PolarHBondContact O-OG1 2.92Å
251I69.1Low60.4Low18 Ų1892.9 Ų92.99%0.09250%0.495CS..Hα-helixtrans-64.3-43.2177.5-67.2171.1000110.1M235 L238 M239 L247 R248 R253 T254 A255M235-I251 HydrophobicContact CE-CG2 3.81Å; M235-I251 HydrophobicContact CG-CG2 3.98Å; M235-I251 HydrophobicContact SD-CG2 3.85Å; L238-I251 HydrophobicContact CB-CD1 4.19Å; M239-I251 HydrophobicContact CG-CB 4.34Å; M239-I251 HydrophobicContact CG-CG2 3.41Å; M239-I251 VanDerWaalsContact CG-CG2 3.41Å; M239-I251 HydrophobicContact SD-CG2 3.95Å; L247-I251 HydrophobicContact CD1-CD1 3.93Å; L247-I251 HydrophobicContact CD1-CG1 4.21Å; L247-I251 HydrophobicContact CG-CD1 3.86Å; L247-I251 HydrophobicContact CG-CG1 4.5Å; L247-I251 WeakPolarHBondContact O-CB 3.27Å; L247-I251 VanDerWaalsContact O-CG1 3.26Å; L247-I251 WeakPolarHBondContact O-CG1 3.46Å; L247-I251 PolarHBondContact O-N 3.5Å; R248-I251 PolarHBondContact O-N 3.36Å; I251-R253 PolarHBondContact O-N 3.05Å; I251-T254 CarbonylContact O-C 3.32Å; I251-T254 WeakPolarHBondContact O-CB 3.24Å; I251-T254 PolarHBondContact O-N 3.38Å; I251-T254 VanDerWaalsContact O-N 3.13Å; I251-A255 WeakPolarHBondContact O-CB 3.38Å; I251-A255 PolarHBondContact O-N 2.59Å
252N66.4Low59.3Low85 Ų8592.2 Ų92.246%0.45550%0.503SS..Hα-helixtrans-60.8-41.1174.3-7214.5000112.3M239 R248 T254 A255 A256M239-N252 PolarHBondContact SD-OD1 3.3Å; M239-N252 VanDerWaalsContact SD-OD1 3.38Å; R248-N252 WeakPolarHBondContact O-CB 3.21Å; R248-N252 PolarHBondContact O-N 3.46Å; R248-N252 PolarHBondContact O-OD1 3.49Å; R248-N252 VanDerWaalsContact O-OD1 3.09Å; N252-T254 VanDerWaalsContact C-N 3.34Å; N252-A255 PolarHBondContact O-N 3.05Å; N252-A256 WeakPolarHBondContact O-CB 3.29Å; N252-A256 PolarHBondContact O-N 3.1Å
253R65.3Low58.3Low185 Ų18594.2 Ų94.270%0.69852%0.521SS*.Hα-helixtrans-65.1-37.3173.7-76.9171.5179.1147.9-0.2112.2A249 L250 I251 A256 A257A249-R253 WeakPolarHBondContact O-CB 3.47Å; A249-R253 VanDerWaalsContact O-CG 3.3Å; A249-R253 WeakPolarHBondContact O-CG 3.47Å; A249-R253 PolarHBondContact O-N 2.94Å; L250-R253 PolarHBondContact O-N 3.02Å; I251-R253 PolarHBondContact O-N 3.05Å; R253-A256 PolarHBondContact O-N 3.31Å; R253-A257 VanDerWaalsContact O-CB 3.28Å; R253-A257 WeakPolarHBondContact O-CB 3.49Å; R253-A257 PolarHBondContact O-N 3.01Å
254T63Low57.3Low62 Ų6295.7 Ų95.738%0.3851%0.508SS..Hα-helixtrans-68.6-37.9176.1-50.80000111.3M235 L250 I251 N252 A256 A257 V258M235-T254 HydrophobicContact CE-CG2 4Å; L250-T254 PolarHBondContact O-N 2.84Å; L250-T254 PolarHBondContact O-OG1 2.92Å; I251-T254 CarbonylContact O-C 3.32Å; I251-T254 WeakPolarHBondContact O-CB 3.24Å; I251-T254 PolarHBondContact O-N 3.38Å; I251-T254 VanDerWaalsContact O-N 3.13Å; N252-T254 VanDerWaalsContact C-N 3.34Å; T254-A256 VanDerWaalsContact C-N 3.3Å; T254-A256 PolarHBondContact O-N 2.72Å; T254-A257 PolarHBondContact O-N 3.48Å; T254-V258 WeakPolarHBondContact O-CB 3.41Å; T254-V258 PolarHBondContact O-N 3.22Å
255A56.3Low55.7Low24 Ų2495.2 Ų95.220%0.19852%0.521CS..Hα-helixtrans-77.6-9.2175.600000114.5M235 I251 N252 V258 Y260M235-A255 HydrophobicContact CE-CB 3.99Å; I251-A255 WeakPolarHBondContact O-CB 3.38Å; I251-A255 PolarHBondContact O-N 2.59Å; N252-A255 PolarHBondContact O-N 3.05Å; A255-V258 CarbonylContact C-O 3.55Å; A255-V258 VanDerWaalsContact O-O 3.07Å; A255-Y260 HydrophobicContact CB-CD2 4.02Å; A255-Y260 HydrophobicContact CB-CE2 3.79Å; A255-Y260 WeakPolarHBondContact O-CD2 3.06Å
256A56.2Low53.8Low82 Ų8297.1 Ų97.168%0.67853%0.526SS*.Hα-helixtrans-97.9-23.4168.100000112.7N252 R253 T254N252-A256 WeakPolarHBondContact O-CB 3.29Å; N252-A256 PolarHBondContact O-N 3.1Å; R253-A256 PolarHBondContact O-N 3.31Å; T254-A256 VanDerWaalsContact C-N 3.3Å; T254-A256 PolarHBondContact O-N 2.72Å
257A55.5Low52.3Low89 Ų8995.3 Ų95.374%0.73653%0.531SS*.Hα-helixtrans-89.1-32177.800000113R253 T254R253-A257 VanDerWaalsContact O-CB 3.28Å; R253-A257 WeakPolarHBondContact O-CB 3.49Å; R253-A257 PolarHBondContact O-N 3.01Å; T254-A257 PolarHBondContact O-N 3.48Å
258V52.5Low50.8Low80 Ų8098.8 Ų98.849%0.48555%0.548SS..THydrogen-bonded Turntrans-83.2114.6157.2179.20000105.9T254 A255 Y260T254-V258 WeakPolarHBondContact O-CB 3.41Å; T254-V258 PolarHBondContact O-N 3.22Å; A255-V258 CarbonylContact C-O 3.55Å; A255-V258 VanDerWaalsContact O-O 3.07Å; V258-Y260 HydrophobicContact CB-CD2 4.48Å; V258-Y260 HydrophobicContact CB-CE2 4.43Å; V258-Y260 HydrophobicContact CG1-CD2 4.4Å; V258-Y260 HydrophobicContact CG1-CE2 4.38Å; V258-Y260 WeakPolarHBondContact O-CD2 3.32Å; V258-Y260 PolarHBondContact O-N 3.03Å
259D46.2Very low48.8Very low85 Ų8596.6 Ų96.646%0.45556%0.561SS.*THydrogen-bonded Turntrans-72.295.4-179.4-169.6-12.9000110.5K261 L262 A263D259-K261 PolarHBondContact O-N 3.09Å; D259-K261 VanDerWaalsContact O-N 3.16Å; D259-K261 WeakPolarHBondContact OD1-CB 3.49Å; D259-K261 PolarHBondContact OD1-N 2.71Å; D259-L262 HydrophobicContact CB-CB 4.24Å; D259-L262 HydrophobicContact CB-CD1 4.03Å; D259-L262 HydrophobicContact CB-CG 4.18Å; D259-L262 PolarHBondContact O-N 2.79Å; D259-A263 PolarHBondContact O-N 2.87Å
260Y35.6Very low46.8Very low94 Ų94102.9 Ų102.937%0.36959%0.588SS.*Hα-helixtrans-59.7-23.9-179.2-96.3-106.4000112.8M235 A255 V258 A263 Y264M235-Y260 WeakPolarHBondContact CB-OH 3.46Å; M235-Y260 VanDerWaalsContact CG-OH 3.29Å; M235-Y260 WeakPolarHBondContact CG-OH 3.26Å; A255-Y260 HydrophobicContact CB-CD2 4.02Å; A255-Y260 HydrophobicContact CB-CE2 3.79Å; A255-Y260 WeakPolarHBondContact O-CD2 3.06Å; V258-Y260 HydrophobicContact CB-CD2 4.48Å; V258-Y260 HydrophobicContact CB-CE2 4.43Å; V258-Y260 HydrophobicContact CG1-CD2 4.4Å; V258-Y260 HydrophobicContact CG1-CE2 4.38Å; V258-Y260 WeakPolarHBondContact O-CD2 3.32Å; V258-Y260 PolarHBondContact O-N 3.03Å; Y260-A263 PolarHBondContact O-N 3.41Å; Y260-Y264 PolarHBondContact O-N 2.98Å
261K43.1Very low44.8Very low166 Ų166106.7 Ų106.772%0.72260%0.604SS**Hα-helixtrans-76.6-19.6174.8-75.4-172.5167.6-171.60113.9D259D259-K261 PolarHBondContact O-N 3.09Å; D259-K261 VanDerWaalsContact O-N 3.16Å; D259-K261 WeakPolarHBondContact OD1-CB 3.49Å; D259-K261 PolarHBondContact OD1-N 2.71Å
262L44Very low42.7Very low147 Ų147109.6 Ų109.677%0.7764%0.638SS**Hα-helixtrans-89.3-22.9171.6-68.4177.1000112.4D259D259-L262 HydrophobicContact CB-CB 4.24Å; D259-L262 HydrophobicContact CB-CD1 4.03Å; D259-L262 HydrophobicContact CB-CG 4.18Å; D259-L262 PolarHBondContact O-N 2.79Å
263A40Very low40.9Very low61 Ų61115 Ų11550%0.50465%0.652SS.*Hα-helixtrans-78.6-33178.500000113.4D259 Y260D259-A263 PolarHBondContact O-N 2.87Å; Y260-A263 PolarHBondContact O-N 3.41Å
264Y33.3Very low39Very low169 Ų169113.8 Ų113.866%0.66366%0.658SS**SBendtrans-132.7115.7174.3-75.1-93.5000109.5Y260 D266Y260-Y264 PolarHBondContact O-N 2.98Å; Y264-D266 PolarHBondContact O-N 3.27Å; Y264-D266 VanDerWaalsContact O-N 3.08Å
265G30.9Very low37.5Very low66 Ų66118 Ų11868%0.6867%0.674SS**  trans-74.296.1174.800000110.8S267G265-S267 PolarHBondContact O-N 3.4Å; G265-S267 PolarHBondContact O-OG 3.11Å
266D32.8Very low36.2Very low137 Ų137123.2 Ų123.273%0.73370%0.698SS**  trans-53.5106.2167.6-90.3-31.4000109Y264 I268Y264-D266 PolarHBondContact O-N 3.27Å; Y264-D266 VanDerWaalsContact O-N 3.08Å; D266-I268 VanDerWaalsContact C-N 3.26Å; D266-I268 PolarHBondContact O-N 2.92Å
267S33.1Very low34.9Very low120 Ų120129 Ų12984%0.83970%0.703SS**  trans-7980.4-178.9-640000108.7G265 G269G265-S267 PolarHBondContact O-N 3.4Å; G265-S267 PolarHBondContact O-OG 3.11Å; S267-G269 PolarHBondContact O-N 3.02Å
268I32.8Very low33.6Very low147 Ų147129.7 Ų129.775%0.75470%0.702SS**  trans-56.2107.4177.4-62.1175.4000108.5D266 L270D266-I268 VanDerWaalsContact C-N 3.26Å; D266-I268 PolarHBondContact O-N 2.92Å; I268-L270 PolarHBondContact O-N 3.24Å
269G29Very low32.3Very low69 Ų69130.9 Ų130.971%0.71171%0.713SS**  trans-68.598.2179.400000111.1S267 Q271S267-G269 PolarHBondContact O-N 3.02Å; G269-Q271 VanDerWaalsContact C-N 3.35Å; G269-Q271 PolarHBondContact O-N 3.38Å
270L27.3Very low31.6Very low171 Ų171134.5 Ų134.590%0.89573%0.731SS**  trans-70.187.6171.1-77.5167.3000110.2I268I268-L270 PolarHBondContact O-N 3.24Å
271Q28Very low31.3Very low184 Ų184134.7 Ų134.786%0.8675%0.746SS**  trans-133.875.4-178.6-166.673.353.100111.2G269G269-Q271 VanDerWaalsContact C-N 3.35Å; G269-Q271 PolarHBondContact O-N 3.38Å
272G26.4Very low30.9Very low79 Ų79131.8 Ų131.881%0.81475%0.747SS**  trans82.7151.5-177.700000113.4
273R26.9Very low30.3Very low197 Ų197133 Ų13374%0.74375%0.746SS**  cis-136.2145.96.8-164.7177.4-173.6-76.82.5108.7E275R273-E275 IonicContact CZ-OE1 2.78Å; R273-E275 IonicContact CZ-OE2 3.56Å; R273-E275 IonicContact NH1-OE1 2.78Å; R273-E275 PolarHBondContact NH1-OE1 3.21Å; R273-E275 IonicContact NH1-OE2 3.67Å; R273-E275 PolarHBondContact NH1-OE2 3.25Å; R273-E275 IonicContact NH2-OE1 3.98Å
274L27.1Very low30Very low160 Ų160137.8 Ų137.884%0.83876%0.757SS**  trans-76.8144.5169.3-92.979.6000110.3
275E30.2Very low29.8Very low150 Ų150136 Ų13670%0.70176%0.759SS**  trans177.9100.9139.1-93.3139.4-148.400104.7R273R273-E275 IonicContact CZ-OE1 2.78Å; R273-E275 IonicContact CZ-OE2 3.56Å; R273-E275 IonicContact NH1-OE1 2.78Å; R273-E275 PolarHBondContact NH1-OE1 3.21Å; R273-E275 IonicContact NH1-OE2 3.67Å; R273-E275 PolarHBondContact NH1-OE2 3.25Å; R273-E275 IonicContact NH2-OE1 3.98Å
276D29.1Very low29.8Very low134 Ų134138.7 Ų138.772%0.71776%0.762SS**  65.7137.897.7-134.526000112
277R29Very low29.8Very low205 Ų205137.5 Ų137.577%0.77477%0.765SS**  cis-167153.531-164.1173.5-138.6-159.4-1.6112.6
278S28.2Very low29.6Very low102 Ų102135.2 Ų135.271%0.71376%0.76SS**  trans64147.6156.461.10000120
279C26.2Very low29.3Very low105 Ų105136 Ų13671%0.70977%0.765SS**  cis-164.9142.9-11.8-111.50000112.8
280L31.1Very low29.3Very low161 Ų161139.1 Ų139.184%0.84377%0.77SS**  trans64.5150.2143.4-59.8171.2000119.8
281S29.3Very low29.3Very low98 Ų98136.7 Ų136.769%0.68576%0.762SS**  cis-167176.8-18.4-171.10000110.5
282S33.5Very low29.1Very low105 Ų105130.9 Ų130.973%0.73475%0.752SS**  trans71.8105.1176.6-151.40000115.7
283K32.6Very low29.1Very low173 Ų173132.9 Ų132.975%0.75275%0.753SS**  cis83.310441.3-63.9-172.8174.2179.80115.9
284H32.7Very low29Very low161 Ų161134.2 Ų134.275%0.74576%0.759SS**  174.7115.4112-101.2-102.1000107.7
285N29.8Very low28.9Very low131 Ų131131.3 Ų131.370%0.70175%0.751SS**  68.8140.780.4-73.3-8.2000113.4
286V31.9Very low28.9Very low123 Ų123131.1 Ų131.175%0.74575%0.754SS**  cis-169.5153.80.8119.60000106.5
287S31.5Very low28.9Very low113 Ų113128.9 Ų128.979%0.7975%0.749SS**  cis-171164.1-25-91.70000107.1
288G29Very low28.9Very low72 Ų72124.1 Ų124.174%0.74274%0.736SS**  cis-178.5168.34.700000113
289L27.2Very low28.8Very low162 Ų162121.7 Ų121.785%0.84873%0.727SS**  trans-92.7126.5-176.618070.3000110.8
290V28.7Very low29.3Very low135 Ų135121 Ų12182%0.81872%0.723SS**  trans-94.1114.4168.5177.20000108.9G292V290-G292 VanDerWaalsContact C-N 3.34Å; V290-G292 PolarHBondContact O-N 3.41Å
291T26.7Very low29.4Very low120 Ų120119.9 Ų119.974%0.73672%0.718SS**  trans-71.585.4175.148.60000110.6S293T291-S293 PolarHBondContact O-N 3.21Å
292G24.6Very low29.7Very low62 Ų62122.4 Ų122.464%0.63972%0.723SS**  trans-77.499.3173.400000111.7V290 R294V290-G292 VanDerWaalsContact C-N 3.34Å; V290-G292 PolarHBondContact O-N 3.41Å; G292-R294 PolarHBondContact O-N 3.32Å
293S25.2Very low30Very low121 Ų121119.5 Ų119.585%0.84671%0.705SS**  trans-60.694.7176.3-55.10000112T291 S295T291-S293 PolarHBondContact O-N 3.21Å; S293-S295 PolarHBondContact O-N 3.04Å; S293-S295 VanDerWaalsContact O-N 3.15Å
294R26Very low30.2Very low226 Ų226114.6 Ų114.685%0.85370%0.696SS**  trans-79.394.4172.8-75-172.1173.9-122.6-1.3110.3G292 L296G292-R294 PolarHBondContact O-N 3.32Å; R294-L296 PolarHBondContact O-N 3.36Å
295S24.8Very low30.7Very low98 Ų98110.2 Ų110.269%0.68569%0.688SS**  trans-58.3119.2159.5-177.80000108.6S293 S297S293-S295 PolarHBondContact O-N 3.04Å; S293-S295 VanDerWaalsContact O-N 3.15Å; S295-S297 VanDerWaalsContact C-N 3.33Å; S295-S297 PolarHBondContact OG-OG 2.83Å
296L30.4Very low31.2Very low146 Ų146105.7 Ų105.776%0.76467%0.667SS**  trans-101.149.4176.6-69.6179000111R294 Q298R294-L296 PolarHBondContact O-N 3.36Å; L296-Q298 PolarHBondContact O-N 3.27Å
297S29.4Very low32Very low87 Ų87105 Ų10561%0.60866%0.658SS**SBendtrans-71.6107.9166.739.80000109.5S295S295-S297 VanDerWaalsContact C-N 3.33Å; S295-S297 PolarHBondContact OG-OG 2.83Å
298Q28.7Very low33.3Very low105 Ų105103 Ų10349%0.49165%0.648SS.*SBendtrans53.976.3172.8-55.5-15342.600116.6L296 L1023 A1024L296-Q298 PolarHBondContact O-N 3.27Å; Q298-L1023 HydrophobicContact CB-CB 4.07Å; Q298-L1023 HydrophobicContact CB-CD1 3.74Å; Q298-L1023 VanDerWaalsContact CD-CB 3.43Å; Q298-L1023 HydrophobicContact CG-CB 4.14Å; Q298-L1023 PolarHBondContact NE2-O 3.49Å; Q298-A1024 PolarHBondContact NE2-O 3.13Å
299G26.7Very low34.4Very low52 Ų52100.5 Ų100.554%0.53662%0.623SS.*  trans-171.7151.6163.300000114.7L301G299-L301 VanDerWaalsContact C-N 3.29Å; G299-L301 PolarHBondContact O-N 3.4Å
300S35Very low35.8Very low89 Ų8997.5 Ų97.562%0.62261%0.607SS**  trans64.33.9156.1-163.90000119.7L302 A303 A304S300-L302 VanDerWaalsContact C-N 3.28Å; S300-L302 PolarHBondContact O-N 2.95Å; S300-A303 PolarHBondContact O-N 3.07Å; S300-A303 WeakPolarHBondContact OG-CB 3.34Å; S300-A304 PolarHBondContact O-N 3.14Å; S300-A304 VanDerWaalsContact O-N 3.12Å
301L33.3Very low37.2Very low139 Ų13999.1 Ų99.173%0.72860%0.599SS**Hα-helixtrans-57-42174.8-128.3174.2000111.8G299 A303 A305G299-L301 VanDerWaalsContact C-N 3.29Å; G299-L301 PolarHBondContact O-N 3.4Å; L301-A303 VanDerWaalsContact C-N 3.31Å; L301-A303 PolarHBondContact O-N 3.17Å; L301-A305 WeakPolarHBondContact O-CB 3.42Å; L301-A305 PolarHBondContact O-N 3.44Å; L301-A305 VanDerWaalsContact O-N 3.17Å
302L36.8Very low38.9Very low151 Ų15199 Ų9979%0.79159%0.59SS**Hα-helixtrans-67.6-23.5172.8-79174.1000114.1S300 A305 S306S300-L302 VanDerWaalsContact C-N 3.28Å; S300-L302 PolarHBondContact O-N 2.95Å; L302-A305 CarbonylContact O-C 3.57Å; L302-S306 WeakPolarHBondContact O-CA 3.42Å; L302-S306 VanDerWaalsContact O-CB 3.25Å; L302-S306 WeakPolarHBondContact O-CB 3.46Å; L302-S306 PolarHBondContact O-N 3.48Å
303A38.5Very low40.6Very low44 Ų4498.5 Ų98.536%0.36458%0.58SS.*Hα-helixtrans-80.4-38.9178.900000111.5S300 L301 A305 S306 G309S300-A303 PolarHBondContact O-N 3.07Å; S300-A303 WeakPolarHBondContact OG-CB 3.34Å; L301-A303 VanDerWaalsContact C-N 3.31Å; L301-A303 PolarHBondContact O-N 3.17Å; A303-A305 VanDerWaalsContact C-N 3.32Å; A303-S306 WeakPolarHBondContact O-CB 3.41Å; A303-S306 PolarHBondContact O-N 3.44Å; A303-S306 PolarHBondContact O-OG 3.22Å; A303-G309 VanDerWaalsContact O-CA 3.32Å; A303-G309 WeakPolarHBondContact O-CA 3.48Å; A303-G309 PolarHBondContact O-N 3.08Å
304A37.6Very low42.1Very low69 Ų6998.1 Ų98.157%0.5757%0.567SS**Hα-helixtrans-62.7-39.5170.500000111.7S300 S306S300-A304 PolarHBondContact O-N 3.14Å; S300-A304 VanDerWaalsContact O-N 3.12Å; A304-S306 VanDerWaalsContact C-N 3.28Å; A304-S306 PolarHBondContact O-N 3.47Å
305A42.1Very low43.8Very low70 Ų7091.8 Ų91.858%0.57955%0.551SS**THydrogen-bonded Turntrans-77.6-4.8171.700000114.4L301 L302 A303L301-A305 WeakPolarHBondContact O-CB 3.42Å; L301-A305 PolarHBondContact O-N 3.44Å; L301-A305 VanDerWaalsContact O-N 3.17Å; L302-A305 CarbonylContact O-C 3.57Å; A303-A305 VanDerWaalsContact C-N 3.32Å
306S41.6Very low45.6Very low36 Ų3692.2 Ų92.225%0.25254%0.542SS..SBendtrans-79.3158.1-17976.40000111.8L302 A303 A304 A308 G309 L310L302-S306 WeakPolarHBondContact O-CA 3.42Å; L302-S306 VanDerWaalsContact O-CB 3.25Å; L302-S306 WeakPolarHBondContact O-CB 3.46Å; L302-S306 PolarHBondContact O-N 3.48Å; A303-S306 WeakPolarHBondContact O-CB 3.41Å; A303-S306 PolarHBondContact O-N 3.44Å; A303-S306 PolarHBondContact O-OG 3.22Å; A304-S306 VanDerWaalsContact C-N 3.28Å; A304-S306 PolarHBondContact O-N 3.47Å; S306-A308 PolarHBondContact O-N 3.26Å; S306-A308 VanDerWaalsContact O-N 3.11Å; S306-A308 PolarHBondContact OG-N 3.4Å; S306-G309 PolarHBondContact O-N 3.07Å; S306-G309 PolarHBondContact OG-N 2.93Å; S306-L310 PolarHBondContact O-N 3.44Å
307L47.2Very low46.5Very low108 Ų10888.8 Ų88.857%0.56553%0.527SS*.Hα-helixtrans-56.6-25.2169.5-158.479.5000112.7R311L307-R311 WeakPolarHBondContact O-CB 3.32Å; L307-R311 VanDerWaalsContact O-CD 3.27Å; L307-R311 WeakPolarHBondContact O-CD 3.22Å; L307-R311 WeakPolarHBondContact O-CG 3.41Å; L307-R311 PolarHBondContact O-N 3.36Å
308A59.5Low47.7Very low70 Ų7088.9 Ų88.958%0.57952%0.524SS*.Hα-helixtrans-78.6-44.2176.800000112.1S306 R311 H312S306-A308 PolarHBondContact O-N 3.26Å; S306-A308 VanDerWaalsContact O-N 3.11Å; S306-A308 PolarHBondContact OG-N 3.4Å; A308-R311 PolarHBondContact O-N 2.89Å; A308-H312 WeakPolarHBondContact O-CB 3.18Å; A308-H312 PolarHBondContact O-N 2.82Å
309G52.2Low48.6Very low21 Ų2190.6 Ų90.622%0.21653%0.532CS..Hα-helixtrans-64.5-43.1175.400000112.4A303 S306 R311 H312 A313A303-G309 VanDerWaalsContact O-CA 3.32Å; A303-G309 WeakPolarHBondContact O-CA 3.48Å; A303-G309 PolarHBondContact O-N 3.08Å; S306-G309 PolarHBondContact O-N 3.07Å; S306-G309 PolarHBondContact OG-N 2.93Å; G309-R311 VanDerWaalsContact C-N 3.33Å; G309-R311 PolarHBondContact O-N 2.86Å; G309-H312 PolarHBondContact O-N 3.37Å; G309-A313 WeakPolarHBondContact O-CB 3.41Å; G309-A313 PolarHBondContact O-N 2.92Å
310L56.7Low49.4Very low98 Ų9895.1 Ų95.151%0.51354%0.543SS..Hα-helixtrans-62.1-37.4173.9-73.7169.2000112.6S306 L314S306-L310 PolarHBondContact O-N 3.44Å; L310-L314 WeakPolarHBondContact O-CB 3.26Å; L310-L314 PolarHBondContact O-N 3.27Å
311R58.9Low49.5Very low169 Ų16996.9 Ų96.964%0.63855%0.545SS*.Hα-helixtrans-65.3-44172-79.1169.1-179.2-174.4-1.6112L307 A308 G309 A313 L314 D315L307-R311 WeakPolarHBondContact O-CB 3.32Å; L307-R311 VanDerWaalsContact O-CD 3.27Å; L307-R311 WeakPolarHBondContact O-CD 3.22Å; L307-R311 WeakPolarHBondContact O-CG 3.41Å; L307-R311 PolarHBondContact O-N 3.36Å; A308-R311 PolarHBondContact O-N 2.89Å; G309-R311 VanDerWaalsContact C-N 3.33Å; G309-R311 PolarHBondContact O-N 2.86Å; R311-A313 VanDerWaalsContact C-N 3.35Å; R311-A313 PolarHBondContact O-N 3.29Å; R311-L314 PolarHBondContact O-N 2.86Å; R311-D315 WeakPolarHBondContact O-CB 3.44Å; R311-D315 PolarHBondContact O-N 3Å
312H62.7Low49.6Very low118 Ų11896 Ų9655%0.54655%0.547SS..Hα-helixtrans-68.4-32.8-179.8-162.3-63.7000112.5A308 G309 Q316A308-H312 WeakPolarHBondContact O-CB 3.18Å; A308-H312 PolarHBondContact O-N 2.82Å; G309-H312 PolarHBondContact O-N 3.37Å; H312-Q316 PolarHBondContact CE1-NE2 2.87Å; H312-Q316 WeakPolarHBondContact O-CG 3.09Å; H312-Q316 PolarHBondContact O-N 3.16Å; H312-Q316 VanDerWaalsContact O-N 3.12Å
313A58.5Low49.4Very low52 Ų5298.2 Ų98.243%0.4355%0.551SS.*Hα-helixtrans-71.5-37.9172.300000112.3G309 R311 T317G309-A313 WeakPolarHBondContact O-CB 3.41Å; G309-A313 PolarHBondContact O-N 2.92Å; R311-A313 VanDerWaalsContact C-N 3.35Å; R311-A313 PolarHBondContact O-N 3.29Å; A313-T317 PolarHBondContact O-N 2.99Å; A313-T317 PolarHBondContact O-OG1 2.79Å
314L56.6Low49.4Very low112 Ų112102 Ų10259%0.58657%0.571SS**Hα-helixtrans-63.2-44.5171.3-96.7163.4000111.9L310 R311 Q316 T317 T318L310-L314 WeakPolarHBondContact O-CB 3.26Å; L310-L314 PolarHBondContact O-N 3.27Å; R311-L314 PolarHBondContact O-N 2.86Å; L314-Q316 VanDerWaalsContact C-N 3.35Å; L314-Q316 PolarHBondContact O-N 2.86Å; L314-T317 WeakPolarHBondContact CA-OG1 3.37Å; L314-T317 PolarHBondContact O-N 3.45Å; L314-T317 PolarHBondContact O-OG1 3.24Å; L314-T317 VanDerWaalsContact O-OG1 3.08Å; L314-T318 PolarHBondContact O-N 3.1Å; L314-T318 PolarHBondContact O-OG1 3.07Å; L314-T318 VanDerWaalsContact O-OG1 3.12Å
315D62.6Low49.3Very low93 Ų93105.1 Ų105.150%0.49758%0.584SS.*Hα-helixtrans-64.2-38.5179.3-162.479.1000112.3R311 T318 Q319R311-D315 WeakPolarHBondContact O-CB 3.44Å; R311-D315 PolarHBondContact O-N 3Å; D315-T318 WeakPolarHBondContact CA-OG1 3.43Å; D315-T318 PolarHBondContact O-OG1 2.82Å; D315-Q319 VanDerWaalsContact O-CG 3.3Å; D315-Q319 WeakPolarHBondContact O-CG 3.39Å; D315-Q319 PolarHBondContact O-N 3.02Å; D315-Q319 PolarHBondContact O-NE2 3.46Å; D315-Q319 PolarHBondContact OD2-NE2 3.45Å
316Q61.9Low48.7Very low108 Ų108108.9 Ų108.951%0.50559%0.594SS.*Hα-helixtrans-71.1-30.2173.4-74.5-173.5-20.400113.5H312 L314H312-Q316 PolarHBondContact CE1-NE2 2.87Å; H312-Q316 WeakPolarHBondContact O-CG 3.09Å; H312-Q316 PolarHBondContact O-N 3.16Å; H312-Q316 VanDerWaalsContact O-N 3.12Å; L314-Q316 VanDerWaalsContact C-N 3.35Å; L314-Q316 PolarHBondContact O-N 2.86Å
317T50.7Low48.4Very low74 Ų74118.6 Ų118.645%0.45463%0.625SS.*Hα-helixtrans-78.5-31.8175.338.90000112.9A313 L314 Q319 L320 L321A313-T317 PolarHBondContact O-N 2.99Å; A313-T317 PolarHBondContact O-OG1 2.79Å; L314-T317 WeakPolarHBondContact CA-OG1 3.37Å; L314-T317 PolarHBondContact O-N 3.45Å; L314-T317 PolarHBondContact O-OG1 3.24Å; L314-T317 VanDerWaalsContact O-OG1 3.08Å; T317-Q319 VanDerWaalsContact C-N 3.28Å; T317-Q319 PolarHBondContact O-N 3.21Å; T317-L320 PolarHBondContact O-N 2.88Å; T317-L320 VanDerWaalsContact O-N 3.12Å; T317-L321 WeakPolarHBondContact O-CD1 3.39Å
318T54.3Low47.4Very low89 Ų89121 Ų12155%0.54664%0.638SS.*Hα-helixtrans-67.8-27.117147.90000112.8L314 D315 L320L314-T318 PolarHBondContact O-N 3.1Å; L314-T318 PolarHBondContact O-OG1 3.07Å; L314-T318 VanDerWaalsContact O-OG1 3.12Å; D315-T318 WeakPolarHBondContact CA-OG1 3.43Å; D315-T318 PolarHBondContact O-OG1 2.82Å; T318-L320 PolarHBondContact O-N 2.84Å
319Q47.7Very low46.2Very low141 Ų141124.3 Ų124.366%0.65965%0.652SS**THydrogen-bonded Turntrans-71.7-11171.2-70.3175.948.100114.1D315 T317D315-Q319 VanDerWaalsContact O-CG 3.3Å; D315-Q319 WeakPolarHBondContact O-CG 3.39Å; D315-Q319 PolarHBondContact O-N 3.02Å; D315-Q319 PolarHBondContact O-NE2 3.46Å; D315-Q319 PolarHBondContact OD2-NE2 3.45Å; T317-Q319 VanDerWaalsContact C-N 3.28Å; T317-Q319 PolarHBondContact O-N 3.21Å
320L44.1Very low45Very low146 Ų146131.6 Ų131.676%0.76468%0.68SS**THydrogen-bonded Turntrans-106.4-2.5-178.8-69.7172.1000114.5T317 T318T317-L320 PolarHBondContact O-N 2.88Å; T317-L320 VanDerWaalsContact O-N 3.12Å; T318-L320 PolarHBondContact O-N 2.84Å
321L36.7Very low43.8Very low127 Ų127135.4 Ų135.467%0.66570%0.7SS**SBendtrans-79.2142.9171.8-93.376.5000111.3T317 K323T317-L321 WeakPolarHBondContact O-CD1 3.39Å; L321-K323 PolarHBondContact O-N 2.9Å
322P34.8Very low42.3Very low119 Ų119133.1 Ų133.177%0.77371%0.709SS**PPolyproline II helixtrans-66.9130.5177.328-34.1000110.8P324P322-P324 WeakPolarHBondContact O-CD 3.42Å
323K32.4Very low40.6Very low198 Ų198133.1 Ų133.186%0.86172%0.722SS**PPolyproline II helixtrans-62.8123.6174.1-72.4-176.5175.6-177.60110.3L321 T325L321-K323 PolarHBondContact O-N 2.9Å; K323-T325 PolarHBondContact O-N 2.73Å
324P38.3Very low39.3Very low123 Ų123137.3 Ų137.380%0.79974%0.742SS**PPolyproline II helixtrans-68.7130.2164.529.7-32.2000109P322P322-P324 WeakPolarHBondContact O-CD 3.42Å
325T35.9Very low38Very low136 Ų136135 Ų13583%0.83475%0.746SS**PPolyproline II helixtrans-76.2146.4177.241.90000112.2K323K323-T325 PolarHBondContact O-N 2.73Å
326D29.6Very low36.5Very low148 Ų148137.2 Ų137.279%0.79176%0.762SS**PPolyproline II helixtrans-59.5136.4-175.7-55.8-81.3000114.4
327R34.1Very low35.1Very low241 Ų241137 Ų13791%0.90977%0.773SS**  trans-141.4121.4150.1-79.5-160.7167.1-171-4.6110.2
328N27.7Very low33.9Very low157 Ų157138.1 Ų138.184%0.8479%0.789SS**  trans-76.7123.6-179-58.1-30.6000111.2
329T33.8Very low33Very low140 Ų140141.3 Ų141.386%0.85980%0.803SS**  trans-145.4137.7150.1-46.90000109
330E27.8Very low32.2Very low174 Ų174141.9 Ų141.981%0.81381%0.81SS**  trans-77.9130.4-173.3-59162.4163.600112.2
331L29.8Very low31.7Very low179 Ų179143 Ų14394%0.93782%0.815SS**  trans-140.7110.9158-80.7-178.6000109.6
332C28.2Very low31.3Very low120 Ų120141.5 Ų141.581%0.81182%0.815SS**  trans-76.3150.6-172-65.10000113.2V334C332-V334 PolarHBondContact O-N 3.4Å
333S27.5Very low31.3Very low118 Ų118143.5 Ų143.583%0.82582%0.819SS**  trans-69.8119171.735.60000111.7G335S333-G335 PolarHBondContact O-N 3.29Å; S333-G335 VanDerWaalsContact O-N 3.11Å
334V31.4Very low31Very low140 Ų140140.2 Ų140.285%0.84882%0.816SS**  trans-82.187.8171.1-176.60000109.4C332C332-V334 PolarHBondContact O-N 3.4Å
335G27.6Very low30.6Very low65 Ų65140.1 Ų140.167%0.6781%0.813SS**  trans-72.1147.9161.600000110.8S333S333-G335 PolarHBondContact O-N 3.29Å; S333-G335 VanDerWaalsContact O-N 3.11Å
336V31.3Very low30.2Very low138 Ų138138.8 Ų138.884%0.83680%0.804SS**  trans-118.8102170.8-1800000107.9
337S32.3Very low30.1Very low105 Ų105139.2 Ų139.273%0.73480%0.804SS**  trans-66.4147.7174.5-56.50000111.1
338A27.4Very low29.7Very low97 Ų97134.4 Ų134.480%0.80279%0.791SS**  trans-112.794.9171.700000109.1
339D34.2Very low29.7Very low155 Ų155133.5 Ų133.583%0.82978%0.782SS**  trans-83.7146.5172.6-78.5-50.1000111.8
340L30.9Very low29.5Very low154 Ų154134.3 Ų134.381%0.80677%0.773SS**  trans-83.6161.6176.1-7169.3000110.2
341I34.6Very low29.4Very low170 Ų170131.9 Ų131.987%0.87277%0.766SS**  -171.8147.3120-95152.5000109.3
342S27.4Very low29.4Very low94 Ų94130.5 Ų130.566%0.65776%0.755SS**  trans-87.6153.1176.9-58.50000111.5
343D34.3Very low29.3Very low161 Ų161130.6 Ų130.686%0.86175%0.747SS**  176.2175.2109.9-88-14.3000113
344T27Very low29.4Very low130 Ų130129.8 Ų129.880%0.79874%0.741SS**  trans-114.4179.9-162.850.90000114.5
345V30.8Very low29.4Very low121 Ų121128.6 Ų128.673%0.73374%0.74SS**  trans94.675.1166.4-165.50000116.9
346T25.6Very low29.5Very low107 Ų107132.1 Ų132.166%0.65675%0.748SS**  29.6148.6121.660.70000123.1
347M28.4Very low29.4Very low158 Ų158130.6 Ų130.678%0.77874%0.743SS**  trans87.3139.1159.1-55.1-41.7-179.800117.5
348E26.1Very low29.6Very low140 Ų140132.5 Ų132.565%0.65475%0.746SS**  cis-163.7158.3-22.4-159.8176.6-148.300109.6
349H28Very low29.8Very low138 Ų138133.6 Ų133.664%0.63974%0.742SS**  trans64.4156.8164.2-73.9-34.1000117.5
350K28.3Very low29.8Very low156 Ų156131.9 Ų131.968%0.67874%0.738SS**  cis-150.8162.7-4.6-130.5159-175.9164.80110.5
351N26.6Very low29.8Very low123 Ų123129.8 Ų129.866%0.65873%0.731SS**  trans4.8143.1147-59.833.7000118
352Q29.1Very low29.7Very low150 Ų150134.6 Ų134.670%0.70174%0.739SS**  cis-174170.112.7-118.3171.9-80.700107.5
353D27.7Very low29.8Very low123 Ų123134 Ų13466%0.65874%0.74SS**  cis-160.9-174-2.3-147.9-32.4000109.8
354S28.4Very low29.7Very low100 Ų100134.8 Ų134.870%0.69974%0.736SS**  trans80.6165.315585.30000120.2
355S32.4Very low29.9Very low116 Ų116137.6 Ų137.681%0.81174%0.737SS**  trans7179.3177.171.20000117.6
356T28Very low30Very low138 Ų138139.7 Ų139.785%0.84774%0.738SS**  trans-72.3127.6159.949.90000111.8
357S29.2Very low30.1Very low106 Ų106136.9 Ų136.974%0.74173%0.731SS**  trans-176.5161149.3-88.40000114.4
358N37.5Very low30.4Very low146 Ų146134.8 Ų134.878%0.78173%0.732SS**  trans82.6114166.3-51.5-39.5000117.2
359T31Very low30.6Very low119 Ų119137.7 Ų137.773%0.7374%0.736SS**  cis92.1130.330.6-58.60000111.9
360T34.4Very low30.8Very low119 Ų119138.1 Ų138.173%0.7374%0.739SS**  cis-141.7150.76.9-18.60000109
361T32Very low30.8Very low110 Ų110136 Ų13668%0.67574%0.744SS**  cis97.354.28.4-37.30000117.9A363T361-A363 PolarHBondContact O-N 3.44Å
362W32Very low31.1Very low271 Ų271138.6 Ų138.6100%1.02776%0.757SS**SBendtrans-71.262.9169.8-88104000113.7
363A28.2Very low31.1Very low82 Ų82140.6 Ų140.668%0.67876%0.763SS**  trans-151.444.6177.500000113.6T361T361-A363 PolarHBondContact O-N 3.44Å
364K32.4Very low31.1Very low178 Ų178145.7 Ų145.777%0.77477%0.773SS**  trans-160.8123166.9-126169.8-174.3173.90115.4
365K32.2Very low31.1Very low189 Ų189151.8 Ų151.882%0.82278%0.781SS**SBendtrans-137.7120.7136.9-173159.5-175.7174.50108.3
366H32Very low31Very low164 Ų164151.7 Ų151.776%0.75978%0.78SS**  trans44.589.9-177.7-60.9-66.4000118.3
367G27.9Very low31Very low49 Ų49153.3 Ų153.351%0.50578%0.782SS.*  trans-114.9119.8135.800000109.2
368S35.2Very low31Very low114 Ų114159.7 Ų159.780%0.79779%0.79SS**  trans-96.4112.6149.8-64.10000105.5
369R29.4Very low30.6Very low200 Ų200158.5 Ų158.576%0.75579%0.793SS**  64.581.654.4-158.4170.1-167.7-151.1-1.7109.2
370E32.3Very low30.4Very low147 Ų147158.7 Ų158.769%0.68780%0.795SS**  97.9156.383.3-87.5162-159.400110.3
371S29.7Very low30.2Very low113 Ų113162.4 Ų162.479%0.7980%0.804SS**  trans51.1111168.459.10000118.3
372L31.3Very low30Very low177 Ų177164.5 Ų164.593%0.92781%0.808SS**  -152.1164.4114.2-111.4170.6000111.8
373K30.2Very low30Very low191 Ų191158.4 Ų158.483%0.8380%0.801SS**  trans-88.6165.7-164.3-65.4170-179.6171.80112.1R375K373-R375 PolarHBondContact O-N 3.4Å
374R28.2Very low30.1Very low230 Ų230159.5 Ų159.587%0.86880%0.798SS**  trans-61.6100.8168.4-67-179.4-179.3178.81.3111.3
375R27.4Very low29.9Very low229 Ų229159.9 Ų159.986%0.86480%0.801SS**  trans-146.8120.9149.2-112.3174.9174.1165.5-2.1105K373K373-R375 PolarHBondContact O-N 3.4Å
376S29.6Very low29.8Very low113 Ų113156.2 Ų156.279%0.7980%0.796SS**  58.372.452.9-167.50000112.2
377L29.3Very low29.5Very low172 Ų172158.5 Ų158.590%0.90180%0.799SS**  trans-155152.6138.5-103.4167000108.1
378R28.4Very low30Very low240 Ų240162 Ų16291%0.90681%0.814SS**  trans-86.6142.7167.2-66.7174.7174.2173.1-4107.7
379S28.6Very low29.8Very low121 Ų121164.1 Ų164.185%0.84682%0.816SS**  trans-147.5146.3137-157.90000110.1
380T28.2Very low29.8Very low124 Ų124159.6 Ų159.676%0.76182%0.815SS**  trans-86.6135.3177.4-51.40000108.7
381E29Very low29.5Very low197 Ų197157.3 Ų157.392%0.92182%0.815SS**  trans-152.2153.5142.2-141.4163.7-15100110.3
382M28.5Very low29.6Very low154 Ų154161.8 Ų161.876%0.75982%0.82SS**  trans-139.2122-158.8-171.6161.876.700111V384M382-V384 HydrophobicContact CG-CG2 3.99Å; M382-V384 HydrophobicContact SD-CG2 4.49Å
383T32.7Very low29.5Very low143 Ų143161.7 Ų161.788%0.87782%0.815SS**  trans-123.1118.117122.30000109.3
384V29.9Very low29.4Very low104 Ų104159.8 Ų159.863%0.6381%0.814SS**  trans-106.1136.4-173178.10000109.5M382M382-V384 HydrophobicContact CG-CG2 3.99Å; M382-V384 HydrophobicContact SD-CG2 4.49Å
385F28.5Very low29.4Very low187 Ų187158 Ų15882%0.8282%0.816SS**  trans-130.1151.1159.4-84.4-87.9000108.9
386P30Very low29.6Very low111 Ų111155.6 Ų155.672%0.72182%0.818SS**PPolyproline II helixtrans-92.8154.2-136.1-1230000115.4
387Y26.2Very low29.6Very low212 Ų212157 Ų15783%0.83182%0.817SS**PPolyproline II helixtrans-86.9139.8160.8-80.4-97000110.3
388P37.1Very low29.7Very low124 Ų124152.9 Ų152.981%0.80580%0.802SS**PPolyproline II helixtrans-63.4142.5156.1-16.631.5000110
389N30.8Very low30.2Very low157 Ų157147 Ų14784%0.8479%0.789SS**PPolyproline II helixtrans-81.2172.1-172.6-95.4-23.7000114.4
390S30.3Very low31Very low106 Ų106148.5 Ų148.574%0.74178%0.782SS**PPolyproline II helixtrans-50.4168.1165.962.20000113.4
391S26.2Very low32.1Very low99 Ų99146.6 Ų146.669%0.69277%0.771SS**  cis-163.115029.947.30000113.3
392K31.5Very low33.7Very low206 Ų206140.6 Ų140.690%0.89675%0.747SS**  179.8150.9122.9-98.1170.7-178.2-1770110
393E29.7Very low35.1Very low175 Ų175136.6 Ų136.682%0.81873%0.732SS**  trans-93.7175.3-178.9-62.6171.4126.800111
394N27.9Very low36.3Very low151 Ų151138.5 Ų138.581%0.80772%0.723SS**  trans68.585.6167.5-49.7-32.9000116.6
395E28.6Very low37.9Very low194 Ų194137.1 Ų137.191%0.90771%0.709SS**  -152.8151.5108.5-119.6177.5158.900111.7
396I30.2Very low39.7Very low177 Ų177130.9 Ų130.991%0.90869%0.687SS**  trans-9985.1178.5-56.6170.6000107.4
397D30Very low41.4Very low143 Ų143127.4 Ų127.477%0.76566%0.662SS**  trans-109.7135.8166.8-156.9-5.6000111.1D399D397-D399 PolarHBondContact O-N 3.36Å
398S31.6Very low43.3Very low85 Ų85123.6 Ų123.659%0.59465%0.649SS**  trans-100.234.7-157.362.30000113H400S398-H400 PolarHBondContact O-N 2.98Å; S398-H400 PolarHBondContact O-ND1 2.89Å
399D38.6Very low44.6Very low116 Ų116123.7 Ų123.762%0.6264%0.643SS**  trans-59.8105.2-159.7-161.48.9000113.5D397 T401D397-D399 PolarHBondContact O-N 3.36Å; D399-T401 PolarHBondContact O-N 2.91Å
400H46Very low46.2Very low153 Ų153117.3 Ų117.371%0.70861%0.613SS**  trans-79.466-170.810-75000111S398 T402S398-H400 PolarHBondContact O-N 2.98Å; S398-H400 PolarHBondContact O-ND1 2.89Å; H400-T402 PolarHBondContact O-N 3.4Å
401T49.8Very low46.8Very low85 Ų85118.7 Ų118.752%0.52161%0.612SS.*  trans-61.597.1177.442.40000111D399D399-T401 PolarHBondContact O-N 2.91Å
402T63.2Low48.1Very low71 Ų71118 Ų11844%0.43662%0.619SS.*  trans-62.1158.2179.668.60000111.2H400 W404 Q405 T406H400-T402 PolarHBondContact O-N 3.4Å; T402-W404 PolarHBondContact O-N 3.42Å; T402-W404 PolarHBondContact OG1-N 2.74Å; T402-Q405 PolarHBondContact O-N 3.13Å; T402-Q405 PolarHBondContact OG1-N 2.9Å; T402-Q405 PolarHBondContact OG1-OE1 2.9Å; T402-T406 PolarHBondContact O-N 3.17Å; T402-T406 PolarHBondContact O-OG1 3.38Å; T402-T406 VanDerWaalsContact O-OG1 3.09Å
403T58.4Low49.3Very low69 Ų69111 Ų11142%0.42360%0.601SS.*Hα-helixtrans-50-24.9168.9-48.80000112.8I407 A427T403-I407 HydrophobicContact CG2-CD1 4.21Å; T403-I407 VanDerWaalsContact O-CD1 3.31Å; T403-I407 WeakPolarHBondContact O-CD1 3.44Å; T403-I407 VanDerWaalsContact O-CG1 3.25Å; T403-I407 WeakPolarHBondContact O-CG1 3.36Å; T403-I407 PolarHBondContact O-N 2.95Å; T403-A427 HydrophobicContact CG2-CB 3.86Å
404W56.8Low50.6Low183 Ų183105.4 Ų105.469%0.69358%0.576SS**Hα-helixtrans-80.7-36.8178.4-159.4-131.4000113T402 I407 K408T402-W404 PolarHBondContact O-N 3.42Å; T402-W404 PolarHBondContact OG1-N 2.74Å; W404-I407 HydrophobicContact CE3-CB 4.29Å; W404-I407 HydrophobicContact CE3-CD1 4.18Å; W404-I407 HydrophobicContact CE3-CG2 4.23Å; W404-I407 HydrophobicContact CZ3-CD1 4.39Å; W404-I407 HydrophobicContact CZ3-CG2 3.98Å; W404-I407 PolarHBondContact O-N 2.82Å; W404-K408 WeakPolarHBondContact O-CB 3.31Å; W404-K408 PolarHBondContact O-N 3.24Å
405Q65.1Low52.2Low75 Ų75105 Ų10535%0.3557%0.573SS.*Hα-helixtrans-60.1-50.2168.2-82.9133.8-62.700110.6T402 I407 K408 D409T402-Q405 PolarHBondContact O-N 3.13Å; T402-Q405 PolarHBondContact OG1-N 2.9Å; T402-Q405 PolarHBondContact OG1-OE1 2.9Å; Q405-I407 PolarHBondContact O-N 3.35Å; Q405-K408 CarbonylContact O-C 2.96Å; Q405-K408 WeakPolarHBondContact O-CA 3.14Å; Q405-K408 PolarHBondContact O-N 3.04Å; Q405-D409 PolarHBondContact O-N 3.32Å
406T66.6Low54.4Low56 Ų5698.9 Ų98.934%0.34455%0.548SS..Hα-helixtrans-60.9-20.7179.64.60000114.7T402T402-T406 PolarHBondContact O-N 3.17Å; T402-T406 PolarHBondContact O-OG1 3.38Å; T402-T406 VanDerWaalsContact O-OG1 3.09Å
407I64.4Low55.9Low38 Ų3898.3 Ų98.320%0.19554%0.535CS..Hα-helixtrans-86.7-35172.6-70.8167.9000111.5T403 W404 Q405 V423 V424T403-I407 HydrophobicContact CG2-CD1 4.21Å; T403-I407 VanDerWaalsContact O-CD1 3.31Å; T403-I407 WeakPolarHBondContact O-CD1 3.44Å; T403-I407 VanDerWaalsContact O-CG1 3.25Å; T403-I407 WeakPolarHBondContact O-CG1 3.36Å; T403-I407 PolarHBondContact O-N 2.95Å; W404-I407 HydrophobicContact CE3-CB 4.29Å; W404-I407 HydrophobicContact CE3-CD1 4.18Å; W404-I407 HydrophobicContact CE3-CG2 4.23Å; W404-I407 HydrophobicContact CZ3-CD1 4.39Å; W404-I407 HydrophobicContact CZ3-CG2 3.98Å; W404-I407 PolarHBondContact O-N 2.82Å; Q405-I407 PolarHBondContact O-N 3.35Å; I407-V423 HydrophobicContact CG1-CG1 3.98Å; I407-V424 HydrophobicContact CD1-CG2 4.08Å
408K66Low58Low132 Ų13296.8 Ų96.857%0.57453%0.527SS*.Hα-helixtrans-74.7-35.1179.3-156.6177.7-172.6-174.30112.4W404 Q405 A410 N411W404-K408 WeakPolarHBondContact O-CB 3.31Å; W404-K408 PolarHBondContact O-N 3.24Å; Q405-K408 CarbonylContact O-C 2.96Å; Q405-K408 WeakPolarHBondContact O-CA 3.14Å; Q405-K408 PolarHBondContact O-N 3.04Å; K408-A410 PolarHBondContact O-N 3.03Å; K408-N411 VanDerWaalsContact O-CB 3.31Å; K408-N411 WeakPolarHBondContact O-CB 3.17Å; K408-N411 PolarHBondContact O-N 2.83Å; K408-N411 PolarHBondContact O-ND2 3.47Å; K408-N411 VanDerWaalsContact O-ND2 3.13Å; K408-N411 PolarHBondContact O-OD1 3.14Å
409D65.3Low59.9Low126 Ų12695.1 Ų95.167%0.67451%0.51SS*.THydrogen-bonded Turntrans-72.9-19.5177.6-55.9-32.1000111.9Q405 N411Q405-D409 PolarHBondContact O-N 3.32Å; D409-N411 PolarHBondContact O-N 3.46Å
410A63.6Low61.6Low24 Ų2492.3 Ų92.320%0.19849%0.494CS..THydrogen-bonded Turntrans-78.417.7169.600000113.8K408 G412 A413 L414K408-A410 PolarHBondContact O-N 3.03Å; A410-G412 PolarHBondContact O-N 2.88Å; A410-A413 PolarHBondContact O-N 3.38Å; A410-A413 VanDerWaalsContact O-N 3.15Å; A410-L414 HydrophobicContact CB-CD1 3.87Å; A410-L414 HydrophobicContact CB-CD2 4.27Å; A410-L414 HydrophobicContact CB-CG 4.01Å
411N42.7Very low62.9Low135 Ų13590.8 Ų90.872%0.72249%0.486SS*.THydrogen-bonded Turntrans-44.4120.9-176-105.8-25.4000113K408 D409 A413K408-N411 VanDerWaalsContact O-CB 3.31Å; K408-N411 WeakPolarHBondContact O-CB 3.17Å; K408-N411 PolarHBondContact O-N 2.83Å; K408-N411 PolarHBondContact O-ND2 3.47Å; K408-N411 VanDerWaalsContact O-ND2 3.13Å; K408-N411 PolarHBondContact O-OD1 3.14Å; D409-N411 PolarHBondContact O-N 3.46Å; N411-A413 VanDerWaalsContact C-N 3.3Å; N411-A413 PolarHBondContact O-N 3.4Å
412G54Low64.1Low83 Ų8394.2 Ų94.286%0.85649%0.489SS*.THydrogen-bonded Turntrans79.5-14175.800000116.9A410A410-G412 PolarHBondContact O-N 2.88Å
413A56.5Low64.6Low61 Ų6192.1 Ų92.150%0.50448%0.476SS..THydrogen-bonded Turntrans-91.2-12-171.600000115.5A410 N411 I415A410-A413 PolarHBondContact O-N 3.38Å; A410-A413 VanDerWaalsContact O-N 3.15Å; N411-A413 VanDerWaalsContact C-N 3.3Å; N411-A413 PolarHBondContact O-N 3.4Å; A413-I415 PolarHBondContact O-N 2.87Å; A413-I415 VanDerWaalsContact O-N 3.15Å
414L57.2Low65.3Low56 Ų5690.9 Ų90.929%0.29347%0.468SS..  trans-91.963.8-169.6-58.1-178.3000113.4A410 T416 Q419 L420 V423A410-L414 HydrophobicContact CB-CD1 3.87Å; A410-L414 HydrophobicContact CB-CD2 4.27Å; A410-L414 HydrophobicContact CB-CG 4.01Å; L414-T416 PolarHBondContact O-N 3.26Å; L414-Q419 HydrophobicContact CD2-CB 3.81Å; L414-L420 HydrophobicContact CD1-CD1 4.03Å; L414-V423 HydrophobicContact CD1-CG2 4.36Å; L414-V423 HydrophobicContact CD2-CG2 3.82Å
415I61.2Low66.1Low144 Ų14489.9 Ų89.974%0.73847%0.469SS*.  trans-67-10.5-178.958168.5000115.5A413A413-I415 PolarHBondContact O-N 2.87Å; A413-I415 VanDerWaalsContact O-N 3.15Å
416T74.4Confident66Low65 Ų6594.4 Ų94.440%0.39948%0.483SS..SBendtrans-138.5148.6179.963.20000114.1L414 N418 Q419 L420L414-T416 PolarHBondContact O-N 3.26Å; T416-N418 PolarHBondContact O-N 3.37Å; T416-N418 VanDerWaalsContact O-N 3.12Å; T416-Q419 WeakPolarHBondContact O-CB 3.39Å; T416-Q419 PolarHBondContact O-N 3.2Å; T416-Q419 WeakPolarHBondContact OG1-CG 3.42Å; T416-Q419 PolarHBondContact OG1-N 2.91Å; T416-Q419 PolarHBondContact OG1-OE1 3.33Å; T416-L420 PolarHBondContact O-N 3.12Å; T416-L420 VanDerWaalsContact O-N 3.16Å
417W62.3Low65.8Low165 Ų16592.2 Ų92.263%0.62547%0.47SS*.Hα-helixtrans-53.3-30.8171.8-172-120.2000113.5L420 K421W417-L420 HydrophobicContact CE3-CD2 3.86Å; W417-L420 HydrophobicContact CZ3-CD2 3.74Å; W417-K421 WeakPolarHBondContact O-CB 3.38Å; W417-K421 PolarHBondContact O-N 3.06Å
418N73.5Confident65.7Low110 Ų11095 Ų9559%0.58848%0.482SS*.Hα-helixtrans-78.5-16.9176.7-73.6-21.8000113.8T416 R422T416-N418 PolarHBondContact O-N 3.37Å; T416-N418 VanDerWaalsContact O-N 3.12Å; N418-R422 WeakPolarHBondContact O-CG 3.35Å; N418-R422 PolarHBondContact O-NE 2.73Å
419Q72.4Confident65.2Low51 Ų5192 Ų9224%0.23848%0.478CS..Hα-helixtrans-80.3-47.7165.4-70.8156.2-5400110L414 T416 K421 R422 V423L414-Q419 HydrophobicContact CD2-CB 3.81Å; T416-Q419 WeakPolarHBondContact O-CB 3.39Å; T416-Q419 PolarHBondContact O-N 3.2Å; T416-Q419 WeakPolarHBondContact OG1-CG 3.42Å; T416-Q419 PolarHBondContact OG1-N 2.91Å; T416-Q419 PolarHBondContact OG1-OE1 3.33Å; Q419-K421 PolarHBondContact O-N 2.99Å; Q419-R422 WeakPolarHBondContact O-CA 3.3Å; Q419-R422 WeakPolarHBondContact O-CB 3.19Å; Q419-R422 PolarHBondContact O-N 3.14Å; Q419-V423 PolarHBondContact O-N 2.96Å
420L74.8Confident64.5Low56 Ų5691.9 Ų91.929%0.29348%0.477SS..Hα-helixtrans-55.2-48.8176.5-175.867.2000111.9L414 T416 W417 R422 V423 V424L414-L420 HydrophobicContact CD1-CD1 4.03Å; T416-L420 PolarHBondContact O-N 3.12Å; T416-L420 VanDerWaalsContact O-N 3.16Å; W417-L420 HydrophobicContact CE3-CD2 3.86Å; W417-L420 HydrophobicContact CZ3-CD2 3.74Å; L420-R422 PolarHBondContact O-N 3.21Å; L420-V423 PolarHBondContact O-N 3.22Å; L420-V424 HydrophobicContact CD1-CG2 4.5Å; L420-V424 WeakPolarHBondContact O-CG2 3.42Å; L420-V424 PolarHBondContact O-N 2.86Å
421K73.6Confident63.4Low122 Ų12294.1 Ų94.153%0.5350%0.502SS..Hα-helixtrans-58.7-31174.1-85.2-171.3168.7-174.80113.7W417 Q419 K425W417-K421 WeakPolarHBondContact O-CB 3.38Å; W417-K421 PolarHBondContact O-N 3.06Å; Q419-K421 PolarHBondContact O-N 2.99Å; K421-K425 WeakPolarHBondContact O-CB 3.36Å; K421-K425 PolarHBondContact O-N 2.82Å
422R73.9Confident63.4Low156 Ų15694.7 Ų94.759%0.58950%0.498SS*.Hα-helixtrans-76.1-37.7176.3-81.9-177.6-71.5166.8-2.6112.2N418 Q419 L420 R426N418-R422 WeakPolarHBondContact O-CG 3.35Å; N418-R422 PolarHBondContact O-NE 2.73Å; Q419-R422 WeakPolarHBondContact O-CA 3.3Å; Q419-R422 WeakPolarHBondContact O-CB 3.19Å; Q419-R422 PolarHBondContact O-N 3.14Å; L420-R422 PolarHBondContact O-N 3.21Å; R422-R426 VanDerWaalsContact O-CB 3.23Å; R422-R426 WeakPolarHBondContact O-CB 3.35Å; R422-R426 PolarHBondContact O-N 3.35Å
423V73.5Confident62.4Low27 Ų2795.3 Ų95.316%0.16449%0.49CS..Hα-helixtrans-64.1-53.2173.81750000110.3I407 L414 Q419 L420 K425 R426 A427I407-V423 HydrophobicContact CG1-CG1 3.98Å; L414-V423 HydrophobicContact CD1-CG2 4.36Å; L414-V423 HydrophobicContact CD2-CG2 3.82Å; Q419-V423 PolarHBondContact O-N 2.96Å; L420-V423 PolarHBondContact O-N 3.22Å; V423-K425 PolarHBondContact O-N 3.11Å; V423-R426 PolarHBondContact O-N 2.8Å; V423-R426 VanDerWaalsContact O-N 3.12Å; V423-A427 PolarHBondContact O-N 3.35Å
424V73.1Confident61.1Low44 Ų4498.2 Ų98.227%0.26751%0.506SS..Hα-helixtrans-56.2-50.2177.81750000111I407 L420 R426 A427 E428I407-V424 HydrophobicContact CD1-CG2 4.08Å; L420-V424 HydrophobicContact CD1-CG2 4.5Å; L420-V424 WeakPolarHBondContact O-CG2 3.42Å; L420-V424 PolarHBondContact O-N 2.86Å; V424-R426 VanDerWaalsContact C-N 3.25Å; V424-R426 PolarHBondContact O-N 2.96Å; V424-A427 PolarHBondContact O-N 3.45Å; V424-E428 VanDerWaalsContact O-CB 3.29Å; V424-E428 WeakPolarHBondContact O-CB 3.17Å; V424-E428 PolarHBondContact O-N 3.3Å
425K73.3Confident60Low161 Ų161101 Ų10170%0.753%0.531SS*.Hα-helixtrans-66.9-22.5-179.1-165.5173.5-176.4-1770113.8K421 V423 S429K421-K425 WeakPolarHBondContact O-CB 3.36Å; K421-K425 PolarHBondContact O-N 2.82Å; V423-K425 PolarHBondContact O-N 3.11Å; K425-S429 PolarHBondContact O-N 3.49Å
426R64.8Low58.7Low171 Ų171100.3 Ų100.365%0.64553%0.532SS*.Hα-helixtrans-80.1-46173.8-175.5179.1-75.9155.1-10.7111.2R422 V423 V424 E428 S429 L430R422-R426 VanDerWaalsContact O-CB 3.23Å; R422-R426 WeakPolarHBondContact O-CB 3.35Å; R422-R426 PolarHBondContact O-N 3.35Å; V423-R426 PolarHBondContact O-N 2.8Å; V423-R426 VanDerWaalsContact O-N 3.12Å; V424-R426 VanDerWaalsContact C-N 3.25Å; V424-R426 PolarHBondContact O-N 2.96Å; R426-E428 VanDerWaalsContact C-N 3.31Å; R426-E428 PolarHBondContact O-N 3.29Å; R426-S429 WeakPolarHBondContact O-CB 3.38Å; R426-S429 PolarHBondContact O-N 3.07Å; R426-S429 PolarHBondContact O-OG 3.34Å; R426-L430 PolarHBondContact O-N 3.08Å
427A62.3Low56.4Low9 Ų9108.6 Ų108.67%0.07456%0.556CS.*Hα-helixtrans-60.4-41.5172.900000111.6T403 V423 V424 S429 L430 G431T403-A427 HydrophobicContact CG2-CB 3.86Å; V423-A427 PolarHBondContact O-N 3.35Å; V424-A427 PolarHBondContact O-N 3.45Å; A427-S429 PolarHBondContact O-N 3.42Å; A427-S429 VanDerWaalsContact O-N 3.15Å; A427-L430 PolarHBondContact O-N 3.17Å; A427-G431 PolarHBondContact O-N 2.93Å
428E61.8Low55Low96 Ų96107.7 Ų107.745%0.44956%0.559SS.*Hα-helixtrans-61.1-16.2170.6-90-165.4-126.900115V424 R426 K432V424-E428 VanDerWaalsContact O-CB 3.29Å; V424-E428 WeakPolarHBondContact O-CB 3.17Å; V424-E428 PolarHBondContact O-N 3.3Å; R426-E428 VanDerWaalsContact C-N 3.31Å; R426-E428 PolarHBondContact O-N 3.29Å; E428-K432 VanDerWaalsContact O-CD 3.29Å; E428-K432 WeakPolarHBondContact O-CD 3.27Å; E428-K432 WeakPolarHBondContact O-CE 3.28Å; E428-K432 WeakPolarHBondContact O-CG 3.34Å; E428-K432 PolarHBondContact O-NZ 2.89Å; E428-K432 IonicContact OE2-NZ 2.86Å; E428-K432 PolarHBondContact OE2-NZ 3.21Å; E428-K432 VanDerWaalsContact OE2-NZ 3.07Å
429S55.1Low52.9Low71 Ų71106.9 Ų106.950%0.49756%0.562SS.*Hα-helixtrans-92.6-28.3176.468.20000112.9K425 R426 A427K425-S429 PolarHBondContact O-N 3.49Å; R426-S429 WeakPolarHBondContact O-CB 3.38Å; R426-S429 PolarHBondContact O-N 3.07Å; R426-S429 PolarHBondContact O-OG 3.34Å; A427-S429 PolarHBondContact O-N 3.42Å; A427-S429 VanDerWaalsContact O-N 3.15Å
430L49.8Very low50.9Low123 Ų123115.7 Ų115.764%0.64459%0.593SS**Hα-helixtrans-69-40.8170.8-78.1144.4000111.2R426 A427 K432 S433R426-L430 PolarHBondContact O-N 3.08Å; A427-L430 PolarHBondContact O-N 3.17Å; L430-K432 PolarHBondContact O-N 2.61Å; L430-S433 PolarHBondContact O-OG 2.66Å
431G41.8Very low49Very low71 Ų71123.9 Ų123.973%0.73262%0.62SS**THydrogen-bonded Turntrans-70.713.4175.600000116A427A427-G431 PolarHBondContact O-N 2.93Å
432K43.1Very low47Very low146 Ų146124.4 Ų124.464%0.63563%0.629SS**THydrogen-bonded Turntrans-129.58.2-177.3-66.2-177-175.5109.50113.9E428 L430E428-K432 VanDerWaalsContact O-CD 3.29Å; E428-K432 WeakPolarHBondContact O-CD 3.27Å; E428-K432 WeakPolarHBondContact O-CE 3.28Å; E428-K432 WeakPolarHBondContact O-CG 3.34Å; E428-K432 PolarHBondContact O-NZ 2.89Å; E428-K432 IonicContact OE2-NZ 2.86Å; E428-K432 PolarHBondContact OE2-NZ 3.21Å; E428-K432 VanDerWaalsContact OE2-NZ 3.07Å; L430-K432 PolarHBondContact O-N 2.61Å
433S31.3Very low45.4Very low97 Ų97125.1 Ų125.168%0.67864%0.638SS**  trans-114.951178.857.30000112.5L430L430-S433 PolarHBondContact O-OG 2.66Å
434S30.9Very low43.5Very low121 Ų121130.8 Ų130.885%0.84666%0.663SS**  trans-147.775.5172.9-166.20000111.9
435S32.2Very low41.5Very low116 Ų116134 Ų13481%0.81168%0.679SS**SBendtrans-155.1104.2161.164.10000109.5
436V34.2Very low39.7Very low128 Ų128134.3 Ų134.378%0.77668%0.683SS**  trans-17.7124.2179.8-175.50000116.6E438V436-E438 HydrophobicContact CG1-CB 4.41Å; V436-E438 PolarHBondContact O-N 3.01Å
437R27.6Very low38.3Very low239 Ų239130.9 Ų130.990%0.90269%0.685SS**  trans-86.672.5173.1-176.4-170.7175.8-178.4-2.1110.3S439R437-S439 PolarHBondContact O-N 3.27Å
438E31.4Very low36.9Very low147 Ų147138.1 Ų138.169%0.68772%0.722SS**  trans-69.3126.2-178.8-167.750.3-121.700111.3V436V436-E438 HydrophobicContact CG1-CB 4.41Å; V436-E438 PolarHBondContact O-N 3.01Å
439S30.3Very low35.7Very low93 Ų93138.1 Ų138.165%0.6573%0.731SS**  trans-128.275.9-164.8177.30000111.7R437 R441R437-S439 PolarHBondContact O-N 3.27Å; S439-R441 PolarHBondContact O-N 3.18Å
440R30.9Very low34.6Very low236 Ų236144.5 Ų144.589%0.89175%0.75SS**  trans-70.1122.1175.3-68-172.5176.4-164.9-3.7111.4
441R33.2Very low33.8Very low227 Ų227144.3 Ų144.386%0.85775%0.754SS**  trans-96.4159.6156.5-86.7-174.5179.5155-1.4110.5S439S439-R441 PolarHBondContact O-N 3.18Å
442D32.1Very low33.5Very low133 Ų133146 Ų14671%0.71175%0.752SS**  trans-36.1137.6173.5-44.5-86.5000115.8
443H39.7Very low33.1Very low171 Ų171147.6 Ų147.679%0.79276%0.759SS**  -163.8123.4109-95.5-48.3000113.8
444H34.6Very low33Very low147 Ų147150.6 Ų150.668%0.68176%0.764SS**  trans39.2123.5142-73.7-51.8000124.9
445N32Very low32.9Very low111 Ų111151.3 Ų151.359%0.59476%0.758SS**  83.2120.6121.3-651.1000122
446Q35Very low32.8Very low168 Ų168153 Ų15379%0.78576%0.755SS**  70.2145.4130-63.6170.73500119
447S35Very low32.5Very low98 Ų98153.2 Ų153.269%0.68576%0.757SS**  cis-166.6127.4-16.847.90000112.2
448D33.3Very low32.4Very low162 Ų162145.3 Ų145.387%0.86675%0.75SS**  trans60.8169.6149.6-88.6-30.7000120.2
449P35.1Very low32.3Very low96 Ų96144 Ų14462%0.62376%0.757SS**  trans-119.2170.5-141.143.5-36.5000115.8
450F33.7Very low32.3Very low205 Ų205144.7 Ų144.790%0.89976%0.757SS**  trans-159.9175.4132.9-108-67.9000112.1
451T33.4Very low32.3Very low119 Ų119142.5 Ų142.573%0.7375%0.754SS**  trans-129.1-177.1-163.654.60000111.4
452P35.1Very low32.1Very low106 Ų106137.4 Ų137.469%0.68875%0.753SS**  -134.1171.6-57.338.7-24.1000112.7
453K33.7Very low31.8Very low180 Ų180143 Ų14378%0.78376%0.764SS**  trans172.7141.7136.9-100.4161.5-175.6176.30113.9
454M30Very low31.2Very low159 Ų159140 Ų14078%0.78376%0.762SS**  trans45.5137.5136.7-68170.8169.800120.6
455N29.1Very low30.9Very low137 Ų137142.6 Ų142.673%0.73377%0.774SS**  cis-163.5178.7-9-135.43.9000110.2
456M29.1Very low30.6Very low150 Ų150142.5 Ų142.574%0.73978%0.782SS**  trans89.4109.8168.9-67.5-65.815700119.5
457T27.9Very low30.2Very low134 Ų134142.2 Ų142.282%0.82278%0.781SS**  trans50.8112.7138.558.20000120.9
458G25.9Very low30Very low72 Ų72143.6 Ų143.674%0.74279%0.787SS**  trans141.2114.6135.300000117.7
459S28.4Very low29.7Very low121 Ų121142.8 Ų142.885%0.84678%0.782SS**  trans78.3161.8151.2-155.30000120.3
460V30Very low29.5Very low106 Ų106143.3 Ų143.364%0.64279%0.794SS**  trans80.384.6163.3-159.40000120.3
461K32.1Very low29.1Very low190 Ų190137.6 Ų137.683%0.82679%0.793SS**  trans66116.5134.5-57.7167.7-168159.60121
462S28.5Very low29Very low120 Ų120136.8 Ų136.884%0.83980%0.799SS**  -151.5134.1122-95.90000115.2S464S462-S464 PolarHBondContact O-N 2.99Å
463R25.9Very low28.6Very low251 Ų251137 Ų13795%0.94780%0.803SS**  trans-6.9104.2173.8-68.7175.2167.8175.9-4.1118
464S26.5Very low28.4Very low107 Ų107135.4 Ų135.475%0.74880%0.798SS**  trans-126.7144.7151.2-74.90000109.4S462 S466S462-S464 PolarHBondContact O-N 2.99Å; S464-S466 VanDerWaalsContact C-N 3.34Å; S464-S466 PolarHBondContact O-N 3.28Å
465H28.6Very low28.3Very low203 Ų203136 Ų13694%0.9480%0.801SS**  trans-89.161.3-165.8-160.2-59.8000112.5
466S26Very low28.6Very low108 Ų108138.2 Ų138.276%0.75581%0.806SS**  trans-85.9161.3-173.2520000114.9S464S464-S466 VanDerWaalsContact C-N 3.34Å; S464-S466 PolarHBondContact O-N 3.28Å
467Q27.7Very low29Very low163 Ų163139.4 Ų139.476%0.76280%0.803SS**  trans-79.4151.8-173.1-58.6-178.71.800113.8
468P29.4Very low29.3Very low126 Ų126141 Ų14182%0.81880%0.799SS**  trans-80.5116154.332.3-28.5000110
469L27.9Very low30Very low146 Ų146143.6 Ų143.676%0.76481%0.805SS**  trans-76.4155.1166.9-106.768000111.1
470A30.4Very low31Very low106 Ų106139.3 Ų139.388%0.87678%0.78SS**SBendtrans26.2104.7159.400000118.6
471G26.2Very low32.5Very low85 Ų85137.8 Ų137.888%0.87677%0.771SS**  trans176.510.9170.700000119.1
472A29.9Very low33.7Very low103 Ų103136.1 Ų136.185%0.85177%0.77SS**  trans-149.671.8-175.400000113.5
473S27.5Very low35.1Very low110 Ų110137.4 Ų137.477%0.76976%0.761SS**  trans-76.3152.9163.8-170.70000110.3
474H29.8Very low36.6Very low147 Ų147129.8 Ų129.868%0.68174%0.737SS**  trans57.895.9177.6-83.243.4000116.7
475M28.3Very low38.3Very low172 Ų172127.4 Ų127.485%0.84772%0.715SS**SBendtrans-163.920.5140.1-109-55.6-7900115.6
476H33.8Very low40.1Very low182 Ų182123.1 Ų123.184%0.84369%0.694SS**  trans-136.680.1179.5-74.4-24.1000112.1
477R37.4Very low41.9Very low176 Ų176122.4 Ų122.466%0.66468%0.679SS**  trans-1201.5177.4-98.4-171.7173.7-166.5-0.2116.1
478F36Very low43.3Very low168 Ų168120.3 Ų120.374%0.73767%0.669SS**  trans-127.173.4-174.8-58.8-69.4000112.6I485F478-I485 HydrophobicContact CD1-CD1 4.18Å; F478-I485 HydrophobicContact CD1-CG1 4.29Å; F478-I485 HydrophobicContact CD1-CG2 4.19Å; F478-I485 HydrophobicContact CE1-CG2 4.22Å
479S39.8Very low44.7Very low125 Ų125117 Ų11787%0.87465%0.653SS**  trans-127.165.5167.264.80000110.5
480G48.5Very low45.8Very low31 Ų31116.3 Ų116.332%0.3264%0.64SS.*SBendtrans-146.8168.4173.700000110.4E484G480-E484 WeakPolarHBondContact CA-OE2 3.39Å
481T62.1Low46.8Very low75 Ų75113.9 Ų113.946%0.4662%0.62SS.*  trans-64.4162170.561.30000111.5F483 E484 I485T481-F483 PolarHBondContact O-N 3.27Å; T481-E484 PolarHBondContact N-OE2 3.18Å; T481-E484 WeakPolarHBondContact O-CB 3.3Å; T481-E484 PolarHBondContact O-N 3.14Å; T481-E484 VanDerWaalsContact OG1-CB 3.23Å; T481-E484 WeakPolarHBondContact OG1-CB 3.37Å; T481-E484 PolarHBondContact OG1-N 3.42Å; T481-E484 PolarHBondContact OG1-OE2 3.02Å; T481-I485 WeakPolarHBondContact O-CG1 3.4Å; T481-I485 PolarHBondContact O-N 2.9Å
482L58.3Low48Very low154 Ų154114.1 Ų114.181%0.80660%0.599SS**Hα-helixtrans-55.8-35.3175-89.6165.7000112.6F486L482-F486 VanDerWaalsContact O-CB 3.32Å; L482-F486 WeakPolarHBondContact O-CB 3.21Å; L482-F486 PolarHBondContact O-N 3.4Å
483F57.1Low48.6Very low147 Ų147111.2 Ų111.265%0.64558%0.578SS**Hα-helixtrans-66.4-42.9174-179.9-100000112.3T481 F486 M487T481-F483 PolarHBondContact O-N 3.27Å; F483-F486 WeakPolarHBondContact O-CB 3.41Å; F483-F486 PolarHBondContact O-N 3.09Å; F483-M487 HydrophobicContact CD1-CG 4.1Å; F483-M487 HydrophobicContact CE1-CG 3.73Å; F483-M487 HydrophobicContact CE1-SD 4.45Å; F483-M487 HydrophobicContact CE2-CG 4.33Å; F483-M487 HydrophobicContact CZ-CG 3.86Å; F483-M487 HydrophobicContact CZ-SD 4.07Å; F483-M487 WeakPolarHBondContact O-CB 3.33Å; F483-M487 VanDerWaalsContact O-CG 3.26Å; F483-M487 WeakPolarHBondContact O-CG 3.4Å; F483-M487 PolarHBondContact O-N 3.36Å
484E58Low49.5Very low92 Ų92111.9 Ų111.943%0.4357%0.572SS.*Hα-helixtrans-68.4-37.9179.1-172.8173.6-168.300111.9G480 T481 M487 H488G480-E484 WeakPolarHBondContact CA-OE2 3.39Å; T481-E484 PolarHBondContact N-OE2 3.18Å; T481-E484 WeakPolarHBondContact O-CB 3.3Å; T481-E484 PolarHBondContact O-N 3.14Å; T481-E484 VanDerWaalsContact OG1-CB 3.23Å; T481-E484 WeakPolarHBondContact OG1-CB 3.37Å; T481-E484 PolarHBondContact OG1-N 3.42Å; T481-E484 PolarHBondContact OG1-OE2 3.02Å; E484-M487 PolarHBondContact O-N 2.93Å; E484-H488 WeakPolarHBondContact O-CB 3.49Å; E484-H488 PolarHBondContact O-N 3.4Å
485I62Low50Low57 Ų57108.5 Ų108.529%0.29257%0.569SS.*Hα-helixtrans-64.2-43.6170.3-64.5168.6000110.5F478 T481 H488 A489F478-I485 HydrophobicContact CD1-CD1 4.18Å; F478-I485 HydrophobicContact CD1-CG1 4.29Å; F478-I485 HydrophobicContact CD1-CG2 4.19Å; F478-I485 HydrophobicContact CE1-CG2 4.22Å; T481-I485 WeakPolarHBondContact O-CG1 3.4Å; T481-I485 PolarHBondContact O-N 2.9Å; I485-H488 PolarHBondContact O-N 2.95Å; I485-A489 PolarHBondContact O-N 3.2Å
486F64.9Low50.5Low113 Ų113105 Ų10550%0.49656%0.562SS.*Hα-helixtrans-64.3-41.5176.4-178.7-95.3000112.5L482 F483 A489 R490L482-F486 VanDerWaalsContact O-CB 3.32Å; L482-F486 WeakPolarHBondContact O-CB 3.21Å; L482-F486 PolarHBondContact O-N 3.4Å; F483-F486 WeakPolarHBondContact O-CB 3.41Å; F483-F486 PolarHBondContact O-N 3.09Å; F486-A489 PolarHBondContact O-N 3.42Å; F486-R490 WeakPolarHBondContact O-CB 3.32Å; F486-R490 PolarHBondContact O-N 3.15Å
487M64.1Low50.7Low93 Ų93103.6 Ų103.646%0.45856%0.56SS.*Hα-helixtrans-64-40.3173.4-72.9-69.5-74.300111.6F483 E484 R490 A491F483-M487 HydrophobicContact CD1-CG 4.1Å; F483-M487 HydrophobicContact CE1-CG 3.73Å; F483-M487 HydrophobicContact CE1-SD 4.45Å; F483-M487 HydrophobicContact CE2-CG 4.33Å; F483-M487 HydrophobicContact CZ-CG 3.86Å; F483-M487 HydrophobicContact CZ-SD 4.07Å; F483-M487 WeakPolarHBondContact O-CB 3.33Å; F483-M487 VanDerWaalsContact O-CG 3.26Å; F483-M487 WeakPolarHBondContact O-CG 3.4Å; F483-M487 PolarHBondContact O-N 3.36Å; E484-M487 PolarHBondContact O-N 2.93Å; M487-R490 PolarHBondContact O-N 3.42Å; M487-A491 WeakPolarHBondContact O-CB 3.35Å; M487-A491 PolarHBondContact O-N 3.14Å
488H58Low50.5Low119 Ų11998.3 Ų98.355%0.55156%0.56SS**Hα-helixtrans-64.2-41.2174-116.9-58.4000112.5E484 I485 A491 Q492E484-H488 WeakPolarHBondContact O-CB 3.49Å; E484-H488 PolarHBondContact O-N 3.4Å; I485-H488 PolarHBondContact O-N 2.95Å; H488-A491 PolarHBondContact O-N 2.77Å; H488-Q492 WeakPolarHBondContact O-CB 3.39Å; H488-Q492 WeakPolarHBondContact O-CG 3.24Å; H488-Q492 PolarHBondContact O-N 2.78Å
489A57.8Low50.3Low57 Ų5796.5 Ų96.547%0.47156%0.562SS.*Hα-helixtrans-64.4-39.7174.700000111.5I485 F486 Q492 G493I485-A489 PolarHBondContact O-N 3.2Å; F486-A489 PolarHBondContact O-N 3.42Å; A489-Q492 PolarHBondContact O-N 3.43Å; A489-G493 PolarHBondContact O-N 2.88Å
490R51.2Low49.8Very low130 Ų13098.8 Ų98.849%0.49156%0.559SS.*Hα-helixtrans-65.8-41.8175.2-170.6176.5-175.9175.92.4112.2F486 M487 G493 I494F486-R490 WeakPolarHBondContact O-CB 3.32Å; F486-R490 PolarHBondContact O-N 3.15Å; M487-R490 PolarHBondContact O-N 3.42Å; R490-G493 PolarHBondContact O-N 3.26Å; R490-I494 WeakPolarHBondContact O-CG1 3.21Å; R490-I494 PolarHBondContact O-N 2.89Å
491A52.8Low49Very low56 Ų56102.5 Ų102.546%0.46358%0.58SS.*Hα-helixtrans-65-42175.900000111.9M487 H488 I494 A495M487-A491 WeakPolarHBondContact O-CB 3.35Å; M487-A491 PolarHBondContact O-N 3.14Å; H488-A491 PolarHBondContact O-N 2.77Å; A491-I494 PolarHBondContact O-N 3.29Å; A491-A495 PolarHBondContact O-N 3.39Å; A491-A495 VanDerWaalsContact O-N 3.08Å
492Q50.9Low47.4Very low90 Ų90105.6 Ų105.642%0.42159%0.594SS.*Hα-helixtrans-65-39.6174.1-73.3169.76.700111.6H488 A489 I494 A495 S496H488-Q492 WeakPolarHBondContact O-CB 3.39Å; H488-Q492 WeakPolarHBondContact O-CG 3.24Å; H488-Q492 PolarHBondContact O-N 2.78Å; A489-Q492 PolarHBondContact O-N 3.43Å; Q492-I494 PolarHBondContact O-N 3.1Å; Q492-A495 PolarHBondContact O-N 2.98Å; Q492-S496 WeakPolarHBondContact O-CB 3.29Å; Q492-S496 PolarHBondContact O-N 2.76Å; Q492-S496 PolarHBondContact O-OG 3.13Å
493G41.8Very low46.1Very low41 Ų41104.7 Ų104.742%0.42360%0.599SS.*Hα-helixtrans-63.8-19174.600000115.2A489 R490A489-G493 PolarHBondContact O-N 2.88Å; R490-G493 PolarHBondContact O-N 3.26Å
494I46.4Very low44.9Very low125 Ų125103.5 Ų103.564%0.64161%0.609SS**Hα-helixtrans-89.7-38.4172.5-64.3164000110.5R490 A491 Q492R490-I494 WeakPolarHBondContact O-CG1 3.21Å; R490-I494 PolarHBondContact O-N 2.89Å; A491-I494 PolarHBondContact O-N 3.29Å; Q492-I494 PolarHBondContact O-N 3.1Å
495A41.1Very low43.5Very low75 Ų75103.2 Ų103.262%0.6262%0.622SS**Hα-helixtrans-68.7-34.9177.400000113.5A491 Q492 L497A491-A495 PolarHBondContact O-N 3.39Å; A491-A495 VanDerWaalsContact O-N 3.08Å; Q492-A495 PolarHBondContact O-N 2.98Å; A495-L497 PolarHBondContact O-N 2.71Å
496S38.3Very low41.9Very low99 Ų99106.8 Ų106.869%0.69265%0.646SS**THydrogen-bonded Turntrans-81.311.1-178.4-62.90000114.8Q492Q492-S496 WeakPolarHBondContact O-CB 3.29Å; Q492-S496 PolarHBondContact O-N 2.76Å; Q492-S496 PolarHBondContact O-OG 3.13Å
497L37.3Very low40.3Very low153 Ų153108.9 Ų108.980%0.80166%0.663SS**THydrogen-bonded Turntrans-120.69.3-175.4-114.1159.9000113.7A495A495-L497 PolarHBondContact O-N 2.71Å
498G33.7Very low38.6Very low65 Ų65110.8 Ų110.867%0.6767%0.674SS**SBendtrans-126.51.2-175.300000116.5
499V32.4Very low37.1Very low129 Ų129111.4 Ų111.478%0.78268%0.681SS**  trans-141.888.1178.5-170.30000110.5
500H28.7Very low36Very low173 Ų173116.4 Ų116.480%0.80170%0.7SS**  trans-124.899.1159.4-113.1-73.2000107
501S31.7Very low34.8Very low110 Ų110119.9 Ų119.977%0.76972%0.719SS**  trans-156.5109.6172-1790000106.5
502D29.1Very low33.9Very low139 Ų139122.5 Ų122.574%0.74373%0.731SS**  trans-87.4132.7-169.7-53.6-80.4000111.8
503C31.1Very low33Very low135 Ų135124.7 Ų124.791%0.91274%0.739SS**  trans-160.2135.3148.1-107.40000111.4
504S31.9Very low32.6Very low122 Ų122124.6 Ų124.685%0.85374%0.739SS**  trans-76.9163.6174.445.20000112.2
505A28.6Very low31.9Very low86 Ų86124.9 Ų124.971%0.71174%0.742SS**  trans-93.3157.8-176.100000113.4
506V27.8Very low31.5Very low133 Ų133124.7 Ų124.781%0.80674%0.736SS**  trans58.2127.9165.2-63.90000116.3
507D31.2Very low31.2Very low157 Ų157124.3 Ų124.384%0.8474%0.739SS**  -145-166.174.5-133.7-39.6000115.9
508L29Very low30.8Very low132 Ų132122.4 Ų122.469%0.69174%0.738SS**  trans-102.1162.7-158-129.670.6000116.8
509N27.4Very low30.6Very low132 Ų132123.4 Ų123.471%0.70674%0.74SS**  trans71.4110.7159.3-51-32.5000119.9
510D33.5Very low30.5Very low163 Ų163128.3 Ų128.387%0.87275%0.746SS**  -179.9164.5103.6-94-18.1000113.6
511F27.1Very low30.5Very low203 Ų203125.4 Ų125.489%0.8975%0.745SS**  trans-141.6156.6-176.4-94.2-72.6000108.6
512P32.8Very low30.5Very low110 Ų110128.1 Ų128.171%0.71475%0.751SS**  -160.6167.456.842.5-19.9000121.3
513K32.1Very low30.8Very low136 Ų136127 Ų12759%0.59175%0.751SS**  trans42.2131.4139.8-63.7175.1155.8-169.50123.3V136 N137V136-K513 HydrophobicContact CG2-CB 3.8Å; V136-K513 HydrophobicContact CG2-CD 3.62Å; V136-K513 HydrophobicContact CG2-CG 3.61Å; N137-K513 PolarHBondContact OD1-NZ 3.28Å
514G32.9Very low30.9Very low40 Ų40124.7 Ų124.741%0.41274%0.742SS.*  trans-172.5160.8162.600000115.6S134S134-G514 WeakPolarHBondContact CB-O 3.36Å; S134-G514 PolarHBondContact OG-O 3.22Å
515N32Very low31Very low130 Ų130126.3 Ų126.370%0.69574%0.736SS**  trans-108.5172.8-158.9-76.627.5000115.3P135P135-N515 WeakPolarHBondContact CG-OD1 3.35Å
516S32.1Very low31.1Very low71 Ų71130 Ų13050%0.49774%0.742SS.*  cis-177.9165-24.6-81.40000111.3P135P135-S516 WeakPolarHBondContact CD-OG 3.45Å
517A32.2Very low31.3Very low91 Ų91129 Ų12975%0.75273%0.731SS**  trans68.8132.1168.400000117.6
518S30.6Very low31.4Very low114 Ų114128.8 Ų128.880%0.79773%0.725SS**  75.3140.450.596.40000114
519A28.2Very low31.6Very low85 Ų85128.9 Ų128.970%0.70272%0.722SS**  cis-158.4-158.211.600000112.4
520Y31.3Very low31.8Very low232 Ų232129.5 Ų129.591%0.9172%0.72SS**  trans96.496.2171.4-69.4-78.8000119.9
521S28.8Very low31.9Very low112 Ų112128.3 Ų128.378%0.78371%0.714SS**  trans-115.8147.3152.9-46.50000108.3
522N31.1Very low32.2Very low167 Ų167123.3 Ų123.389%0.89370%0.704SS**  trans-171167.2150.3-105.1-8.6000113.5
523P35.8Very low32.2Very low116 Ų116123.9 Ų123.975%0.75370%0.701SS**  trans-129.4-171.6-150.645.6-31.7000115.3
524A32.4Very low32.2Very low87 Ų87127.2 Ų127.272%0.71971%0.71SS**  trans-153.1150165.800000109
525H35.1Very low32.2Very low155 Ų155129.2 Ų129.272%0.71872%0.722SS**  cis-153.9139-13.5-128.4-70000108.4I527H525-I527 HydrophobicContact CB-CG1 4.18Å
526I29.7Very low32Very low163 Ų163130 Ų13084%0.83673%0.726SS**  trans-98.9146.1147.4-65.7173.6000105.4
527I33Very low31.9Very low114 Ų114133.3 Ų133.359%0.58574%0.737SS**  trans-129.4149.5-173.4-33.1178.2000109.2H525H525-I527 HydrophobicContact CB-CG1 4.18Å
528H31.7Very low31.7Very low151 Ų151136.5 Ų136.570%0.69974%0.741SS**  trans76128.7173.5-58.6-72.5000115.3
529Q33.2Very low31.7Very low135 Ų135135.8 Ų135.863%0.63174%0.736SS**  cis-155.6173.8-5.3-159.1144.8-19.300112.8
530E32.1Very low31.7Very low145 Ų145138.6 Ų138.668%0.67874%0.739SS**  trans-30.6156162.9-62.9100.8-121.900115.4
531D34.7Very low31.6Very low138 Ų138138.8 Ų138.874%0.73874%0.738SS**  cis-152.9173.931.8-143.1-31.3000115
532S33.6Very low31.6Very low98 Ų98143 Ų14369%0.68574%0.738SS**  trans-40.5161.1165.4-38.90000114.3
533D33.9Very low31.6Very low121 Ų121140.6 Ų140.665%0.64773%0.726SS**  cis-159.3168.223.9-161.79.6000112.4
534R32.3Very low31.2Very low207 Ų207145.2 Ų145.278%0.78173%0.729SS**  trans43.3107.8156-84175.3172.6880.4121.9
535A31.4Very low31.1Very low81 Ų81146.1 Ų146.167%0.66973%0.728SS**  76.7124.5115.800000121.8
536D28.4Very low30.7Very low146 Ų146147.3 Ų147.378%0.78174%0.739SS**  trans77.7130138.2-68.2-21.4000123.1
537I30.4Very low30.7Very low142 Ų142142.8 Ų142.873%0.72873%0.732SS**  trans7699147.4-63163.4000118.2
538L28.2Very low30.5Very low158 Ų158143 Ų14383%0.82774%0.739SS**  trans74.1155.9143.2-69.1172.7000121
539S30.1Very low30.2Very low98 Ų98140.9 Ų140.969%0.68575%0.747SS**  trans76.4109.5153.8-610000119.9
540N27.9Very low30.2Very low145 Ų145141.7 Ų141.778%0.77575%0.753SS**  trans43.8107.3135.8-66.4-26.2000118.7
541R29.4Very low30Very low235 Ų235140.8 Ų140.889%0.88776%0.763SS**  -157.5124.5118-102.1141.2-154.9-114.37.1115.5
542Y30.2Very low29.6Very low200 Ų200139.3 Ų139.378%0.78476%0.76SS**  46.8116.4129.3-74.2-109.3000120.9
543N29.5Very low29.2Very low118 Ų118144.9 Ų144.963%0.63177%0.767SS**  68.1107.2126.2-64.73.3000121.9
544Y28.5Very low29Very low212 Ų212146.4 Ų146.483%0.83177%0.773SS**  63.1167.2116.4-77.5-62.8000121
545P30.8Very low28.7Very low106 Ų106142 Ų14269%0.68877%0.774SS**  cis-135.585.9-22.131-8.7000112.1
546L26.5Very low28.6Very low181 Ų181141.2 Ų141.295%0.94877%0.774SS**  trans-131134178.6-120.375.4000111.8
547G28Very low28.6Very low68 Ų68139 Ų13970%0.70178%0.776SS**SBendtrans136.893.5168.300000116.4
548V29.2Very low28.5Very low118 Ų118143.2 Ų143.272%0.71578%0.783SS**  trans37.288.5145.1-155.90000117.5M550V548-M550 HydrophobicContact CG1-CE 3.97Å; V548-M550 HydrophobicContact CG1-CG 3.83Å; V548-M550 HydrophobicContact CG1-SD 4.31Å; V548-M550 PolarHBondContact O-N 3.4Å
549A26.2Very low28.4Very low107 Ų107143 Ų14388%0.88478%0.775SS**  trans-73.168.2166.700000112.1S551A549-S551 PolarHBondContact O-N 2.76Å
550M32.2Very low28.2Very low152 Ų152142.9 Ų142.975%0.74977%0.774SS**  trans-57133.5165.5-75-63.6-176.600109.5V548 P552V548-M550 HydrophobicContact CG1-CE 3.97Å; V548-M550 HydrophobicContact CG1-CG 3.83Å; V548-M550 HydrophobicContact CG1-SD 4.31Å; V548-M550 PolarHBondContact O-N 3.4Å; M550-P552 VanDerWaalsContact O-CD 3.24Å; M550-P552 WeakPolarHBondContact O-CD 3.42Å
551S28.8Very low28.2Very low126 Ų126144 Ų14488%0.88177%0.768SS**  trans-116.874.7174-164.40000110.9A549A549-S551 PolarHBondContact O-N 2.76Å
552P27.1Very low28Very low106 Ų106140 Ų14069%0.68876%0.764SS**  trans-92.1160.9-177.137.7-35.5000113.1M550M550-P552 VanDerWaalsContact O-CD 3.24Å; M550-P552 WeakPolarHBondContact O-CD 3.42Å
553R24.4Very low27.8Very low216 Ų216139.4 Ų139.482%0.81577%0.766SS**  trans-75.8128.8-173.9-58.5160.5-179.1147-0.5112.5
554I28.9Very low27.6Very low153 Ų153137.4 Ų137.479%0.78577%0.765SS**  trans-135113.3156.2-56.4178000105.2
555S27Very low27.5Very low114 Ų114130.3 Ų130.380%0.79776%0.757SS**  cis66.887.67.7-151.70000115.1
556G28.2Very low27.6Very low65 Ų65131.8 Ų131.867%0.6776%0.764SS**  trans120.7134.2177.500000112
557A29Very low27.8Very low99 Ų99128.4 Ų128.482%0.81875%0.747SS**  cis-156176.6-9.400000110.6K559A557-K559 PolarHBondContact O-N 3.13Å
558R28.9Very low28Very low231 Ų231130.3 Ų130.387%0.87275%0.747SS**  trans-55.5124.1165-70.7169166.7172.1-7.1110.1S560R558-S560 PolarHBondContact O-OG 3.07Å
559K26.2Very low28.1Very low154 Ų154135 Ų13567%0.6775%0.752SS**  -106.2123127.7-63.6-176.5-178.8-1780104.3A557 Y561A557-K559 PolarHBondContact O-N 3.13Å; K559-Y561 HydrophobicContact CB-CD2 3.87Å; K559-Y561 HydrophobicContact CB-CE2 3.79Å; K559-Y561 HydrophobicContact CD-CE1 4.31Å; K559-Y561 HydrophobicContact CD-CE2 3.79Å; K559-Y561 WeakPolarHBondContact CD-OH 3.45Å; K559-Y561 HydrophobicContact CG-CE2 4.44Å
560S25.6Very low28.2Very low95 Ų95139.8 Ų139.866%0.66475%0.747SS**  cis52.845.722.181.60000113.7R558 L562R558-S560 PolarHBondContact O-OG 3.07Å; S560-L562 VanDerWaalsContact C-N 3.27Å; S560-L562 PolarHBondContact O-N 3.22Å
561Y27.8Very low28Very low168 Ų168138.3 Ų138.366%0.65975%0.752SS**  trans-73.290.3147.6-72.6-76.9000108.3K559 F563K559-Y561 HydrophobicContact CB-CD2 3.87Å; K559-Y561 HydrophobicContact CB-CE2 3.79Å; K559-Y561 HydrophobicContact CD-CE1 4.31Å; K559-Y561 HydrophobicContact CD-CE2 3.79Å; K559-Y561 WeakPolarHBondContact CD-OH 3.45Å; K559-Y561 HydrophobicContact CG-CE2 4.44Å; Y561-F563 HydrophobicContact CD1-CE2 4.46Å; Y561-F563 PolarHBondContact O-N 2.98Å
562L24.9Very low28.2Very low152 Ų152136.9 Ų136.980%0.79674%0.742SS**  trans-73.598.2154.5-85.3168.8000107.3S560 A564S560-L562 VanDerWaalsContact C-N 3.27Å; S560-L562 PolarHBondContact O-N 3.22Å; L562-A564 HydrophobicContact CB-CB 4.08Å
563F26.7Very low28.5Very low187 Ų187137.3 Ų137.382%0.8274%0.743SS**  trans-109109.2142.4-79.1-83.8000104.8Y561Y561-F563 HydrophobicContact CD1-CE2 4.46Å; Y561-F563 PolarHBondContact O-N 2.98Å
564A25.9Very low28.8Very low75 Ų75135.5 Ų135.562%0.6274%0.744SS**  cis62.599.89.100000115.3L562L562-A564 HydrophobicContact CB-CB 4.08Å
565G26.3Very low28.7Very low64 Ų64135.1 Ų135.166%0.6674%0.743SS**  trans109.2123.2166.300000114.8
566T32.9Very low28.8Very low136 Ų136136.5 Ų136.583%0.83474%0.741SS**  trans49.9104.1155.855.30000116.6
567D29.1Very low29Very low111 Ų111143.1 Ų143.159%0.59475%0.752SS**  cis47.111344.1-153.419.9000110.9R569D567-R569 PolarHBondContact OD1-N 3.12Å
568P32.9Very low29Very low108 Ų108148.2 Ų148.270%0.70175%0.751SS**  -131.5131.586.715.64.9000115.5
569R32Very low29Very low216 Ų216145 Ų14582%0.81575%0.751SS**  trans81.4106.7149.4-58.9159.2-167.3-162.60.8113.4D567D567-R569 PolarHBondContact OD1-N 3.12Å
570R27Very low29.3Very low207 Ų207145.6 Ų145.678%0.78176%0.76SS**  65.8145.357.1-60.6-178.6171.4-136.40.3112.7
571S28.5Very low29.7Very low121 Ų121149.5 Ų149.585%0.84677%0.773SS**  trans62.2130.4-17560.30000114.8
572S32.5Very low29.7Very low96 Ų96152.2 Ų152.267%0.67178%0.782SS**  cis-157.7165.5-11.956.90000111.4
573T34.8Very low29.9Very low116 Ų116153.4 Ų153.471%0.71278%0.781SS**  trans4293.7146.654.10000118
574E29Very low30.1Very low178 Ų178149.5 Ų149.583%0.83277%0.765SS**SBend32116.3116.3-164.6169.5-152.300117.7
575N27Very low30.2Very low144 Ų144155.3 Ų155.377%0.7777%0.771SS**  trans8383.1-174.9-50.1-76000115.9
576D29Very low30.5Very low143 Ų143159.1 Ų159.177%0.76577%0.774SS**  trans-154.881.8141.2-112-18.9000112.9
577K32.5Very low30.2Very low205 Ų205162.1 Ų162.189%0.89178%0.776SS**SBendtrans-140.736.2151.2-114.9-175-174.8-176.70111.4
578Y29.9Very low30.3Very low206 Ų206162 Ų16281%0.80878%0.782SS**SBendtrans-141.7152168.2-77.8-78.1000107.2
579L29.1Very low30.1Very low164 Ų164161.1 Ų161.186%0.85978%0.778SS**  trans82.3161.2-172-50.4176.8000115.2
580L33.1Very low30Very low166 Ų166160.8 Ų160.887%0.86978%0.782SS**  trans60113.7-152.4-51.9-177.5000112
581L33Very low30.2Very low177 Ų177154.8 Ų154.893%0.92779%0.785SS**  cis-102151.612.2-77.8155.3000114.2
582R27.4Very low30.3Very low224 Ų224156.6 Ų156.685%0.84579%0.785SS**  trans-79167.1163.2-70.4174.7165.2138-7.7110
583K29.7Very low30.3Very low178 Ų178159.2 Ų159.277%0.77479%0.79SS**  trans74143.5167-60.9-179.5163.1-1110115.3
584E32Very low30Very low105 Ų105162 Ų16249%0.49180%0.795SS.*  cis-156.4146.3-12.7-122.1174.2-11700112.4
585R27.4Very low30.1Very low196 Ų196163.2 Ų163.274%0.7480%0.798SS**  trans55.5140.4143.2-86.5-170.3-88.9-153.40.2122.5
586I32.1Very low30.3Very low144 Ų144161.5 Ų161.574%0.73880%0.797SS**  trans86.390.4147.5-65.2159.5000118.1
587F25.7Very low30.5Very low200 Ų200160.8 Ų160.888%0.87780%0.801SS**  trans-48.8143.4134.7-81.6-89.4000109.9
588P31.8Very low30.4Very low109 Ų109159.1 Ų159.171%0.70880%0.801SS**  -152.5175.77338.6-19.3000114.5
589S29.8Very low30.5Very low88 Ų88159.4 Ų159.462%0.61580%0.802SS**  cis175.2153.8-24.668.90000106.8
590K28.2Very low30.5Very low209 Ų209157 Ų15791%0.90979%0.794SS**  trans52.683.2154-61.5174.7-179.8177.70118.3
591G32.1Very low30.4Very low82 Ų82154.5 Ų154.585%0.84579%0.79SS**  trans-120.3132.2150.400000109.2
592N29.6Very low30.2Very low158 Ų158151.1 Ų151.185%0.84579%0.788SS**  trans-118.1102.4-161.4-176.129.6000113.1
593I33Very low30.4Very low151 Ų151147.9 Ų147.977%0.77479%0.787SS**  trans-138.5134.6172.4-58.1-178.2000109.9F595I593-F595 HydrophobicContact CG2-CD2 4.35Å; I593-F595 HydrophobicContact CG2-CE2 4.15Å
594Q28.6Very low30.6Very low174 Ų174143.8 Ų143.881%0.81379%0.787SS**  trans-84.4142177.5-58.9170.8-47.700111.8
595F31.9Very low30.8Very low204 Ų204145.7 Ų145.790%0.89581%0.805SS**  trans-145.4160.7152.2-87.5-68.5000112I593I593-F595 HydrophobicContact CG2-CD2 4.35Å; I593-F595 HydrophobicContact CG2-CE2 4.15Å
596S30.6Very low31.1Very low108 Ų108140.6 Ų140.676%0.75581%0.806SS**  trans-102170.9-158.8-54.80000113.1
597P33Very low31.1Very low129 Ų129145.5 Ų145.584%0.83882%0.815SS**  trans-83.2158.7-16534.2-35.9000114.4
598L31.4Very low31.2Very low170 Ų170141.8 Ų141.889%0.8981%0.813SS**  trans-104.3135.7175.7-67.5175.1000112.1
599Y31.1Very low31.2Very low211 Ų211145.4 Ų145.483%0.82782%0.823SS**  trans-152.6120.1176.4-149.1-99.3000111.5
600T29.1Very low31.2Very low114 Ų114152.4 Ų152.470%0.69984%0.836SS**  trans65.3154.9158.155.70000122.9
601S31.1Very low31.3Very low113 Ų113149 Ų14979%0.7983%0.828SS**  trans94.4138.7154.577.80000118.6
602A29.4Very low31.2Very low107 Ų107155.1 Ų155.188%0.88483%0.832SS**  trans-117.887.4169.900000107.8
603D31.1Very low31.1Very low155 Ų155151.5 Ų151.583%0.82983%0.832SS**  trans-148.873.9172.7-171.918.7000108.2
604A33.9Very low31.1Very low92 Ų92148.5 Ų148.576%0.7683%0.829SS**  trans-157.462.1-169.800000114.4
605V34.9Very low31.2Very low145 Ų145147.7 Ų147.788%0.87983%0.825SS**SBendtrans-111135.9142.9175.60000106.7
606A34.1Very low31.1Very low90 Ų90146.2 Ų146.274%0.74482%0.819SS**SBendtrans56.577-17200000114.5
607R31.7Very low31.4Very low247 Ų247146.1 Ų146.193%0.93282%0.815SS**  -173.4122.375.2-89.7161.5169.9162-0.9113.6
608S28.4Very low31.5Very low121 Ų121145.7 Ų145.785%0.84681%0.813SS**  trans-148.2114.6141.9-171.50000109
609M31.2Very low31.6Very low186 Ų186145 Ų14592%0.91681%0.809SS**  trans-176.779169.2-104-79.1-89.100107.9
610R30Very low31.7Very low235 Ų235141.5 Ų141.589%0.88781%0.805SS**  trans-154.898.4162.5-85.3-158.8178.7-169.3-2.7109.4
611N30.4Very low31.7Very low137 Ų137142.2 Ų142.273%0.73380%0.804SS**  175.4160121.6-84.3-8.5000109.7
612F31.4Very low31.8Very low211 Ų211141.6 Ų141.693%0.92580%0.8SS**  trans68.2132.4-176.9-47.3-78.8000115.4
613G27.5Very low31.8Very low82 Ų82144.7 Ų144.785%0.84579%0.793SS**  cis163.195-13.900000116.1
614A33Very low31.6Very low87 Ų87144.5 Ų144.572%0.71979%0.792SS**  trans-157.5134.2161.100000107.1
615Q30.4Very low31.5Very low158 Ų158146.2 Ų146.274%0.73879%0.793SS**  62121.260.2-68.5-172.8-10.100111.7
616F28.9Very low31Very low173 Ų173144.6 Ų144.676%0.75979%0.788SS**  cis-159-171.6-0.6-90.3-64.6000107
617P37.5Very low30.7Very low105 Ų105144.4 Ų144.468%0.68278%0.782SS**  cis-119.5176-4137.1-23.1000112.1
618P34.6Very low30.5Very low120 Ų120144.1 Ų144.178%0.77978%0.78SS**  trans-98.6135.7168.235.7-29.1000113.3
619L35Very low30.5Very low155 Ų155141.7 Ų141.781%0.81278%0.775SS**  trans-158.6155166.5-78.3172.3000107.3
620D31.6Very low30.5Very low138 Ų138140.5 Ų140.574%0.73877%0.771SS**  cis-162.4164.2-44-135.2-29.3000108.5
621D30.7Very low30.6Very low130 Ų130137.2 Ų137.270%0.69576%0.763SS**  trans56.1155153.1-121-31.5000125.1
622S32.7Very low30.6Very low99 Ų99137.3 Ų137.369%0.69276%0.764SS**  trans62.3123.8164.770.10000119.3
623K29.7Very low30.6Very low173 Ų173132.5 Ų132.575%0.75275%0.748SS**  cis93.3111.139.9-76.1175.3179164.10114.9
624N27.1Very low30.8Very low150 Ų150134.5 Ų134.580%0.80274%0.735SS**  trans66.9173.3146-61.7-15.8000119.1
625V30.5Very low30.7Very low129 Ų129139.3 Ų139.378%0.78274%0.735SS**  trans68.599.3170.7-167.70000113.1
626S25.1Very low30.8Very low110 Ų110140.3 Ų140.377%0.76974%0.736SS**  cis69.4147.747.5-161.10000114.7
627S26.9Very low31Very low87 Ų87139.8 Ų139.861%0.60874%0.742SS**  trans88.5130.1174.7-45.70000118.3
628R28.8Very low30.7Very low241 Ų241138.3 Ų138.391%0.90975%0.746SS**  trans53.5111144.7-55.2163.6-164.6-1662.9116.9
629G28.6Very low30.4Very low70 Ų70140.2 Ų140.272%0.72275%0.749SS**  cis91126.39.200000113.5
630L30.9Very low30.2Very low160 Ų160140 Ų14084%0.83875%0.749SS**  trans-160.2123166.8-106.5121.5000112.1
631F30.4Very low30.1Very low167 Ų167142.2 Ų142.273%0.73276%0.755SS**  trans46114.2139.3-70.4-92000120.1
632N30.9Very low29.9Very low138 Ų138143.6 Ų143.674%0.73876%0.763SS**  89.9148.880.7-86.928.9000113.9
633D31.9Very low29.9Very low111 Ų111146 Ų14659%0.59477%0.773SS**  cis-166156-19-167.915.5000109.9
634Q32.7Very low29.9Very low124 Ų124142.4 Ų142.458%0.57977%0.77SS**  trans62.6159.3161.2-47.3-147.726.800122
635R30.6Very low30.4Very low188 Ų188141.7 Ų141.771%0.70977%0.773SS**  cis-166.7158.3-32.6-102.7-166.9-174137.7-7.7110.7
636K31.7Very low30.3Very low178 Ų178142 Ų14277%0.77477%0.769SS**  trans80150.8144.4-87.3-179.9175.8-173.10121.1
637N32.4Very low30.6Very low162 Ų162149.3 Ų149.387%0.86678%0.78SS**  trans65.6125.1175-60.25.7000115.8
638G31.3Very low30.7Very low75 Ų75150 Ų15077%0.77379%0.785SS**  cis174.1155.4-9.200000114.3
639N29.6Very low30.7Very low159 Ų159144.4 Ų144.485%0.8578%0.778SS**  trans68.4154.1171.2-97.411.6000120.9
640N30Very low30.8Very low150 Ų150151 Ų15180%0.80279%0.787SS**  trans70107.3164.8-63.15.8000118.8
641Q28.8Very low30.8Very low186 Ų186150.1 Ų150.187%0.86978%0.782SS**  trans-72.9134.3164.2-59.9164.3-900110
642N28.1Very low31Very low159 Ų159148.3 Ų148.385%0.8579%0.787SS**  trans-179101.2153.9-98.6-27.7000109
643T31.2Very low30.8Very low148 Ų148148 Ų14891%0.90879%0.785SS**  trans-117.673.1-175.353.10000112.4
644S31.4Very low30.8Very low99 Ų99154.3 Ų154.369%0.69280%0.8SS**SBendtrans-87.2153.2152.4-55.10000108.9I646S644-I646 PolarHBondContact O-N 3.04Å
645P37.1Very low30.5Very low135 Ų135155.2 Ų155.288%0.87781%0.809SS**  trans-67.6109.4-169.625.5-34.1000112.8
646I29Very low30.6Very low136 Ų136149.5 Ų149.570%0.69781%0.808SS**  trans-72.3150.9160.7-41.2171.8000107.5S644S644-I646 PolarHBondContact O-N 3.04Å
647W30.6Very low30.4Very low263 Ų263146.4 Ų146.4100%0.99681%0.809SS**  -158115.5115-92.33.7000109.8
648S28.4Very low30.4Very low100 Ų100144.5 Ų144.570%0.69981%0.809SS**  trans-92.1164.5170.8-173.30000110.1
649T29.4Very low30.3Very low125 Ų125145.8 Ų145.877%0.76781%0.812SS**  trans-25.2125.5172.454.60000116.7
650K30.8Very low30.5Very low208 Ų208142.5 Ų142.590%0.90481%0.807SS**  trans-165.5144.6135.5-107.6155.6-171.7175.30112
651L30.6Very low30.5Very low141 Ų141146.7 Ų146.774%0.73881%0.813SS**  trans-69.3161.9179.8-67.6159.6000111.7L653L651-L653 HydrophobicContact CD1-CD1 4.45Å; L651-L653 HydrophobicContact CD1-CG 4.24Å
652P34.3Very low30.8Very low129 Ų129141.8 Ų141.884%0.83880%0.804SS**  -121.6133.5112.534-32.5000113.2
653L27.3Very low31Very low133 Ų133140.8 Ų140.870%0.69680%0.799SS**  trans-79.3134173.3-71.3156.2000111.2L651L651-L653 HydrophobicContact CD1-CD1 4.45Å; L651-L653 HydrophobicContact CD1-CG 4.24Å
654R31.7Very low31Very low242 Ų242140.7 Ų140.791%0.91379%0.793SS**  trans-160.289.4157.7-154.1170.8-174.4178.11.2108.9
655N27Very low31Very low144 Ų144142.3 Ų142.377%0.7780%0.803SS**  55.1126.476.5-72.23.1000114.5
656G32.8Very low30.8Very low67 Ų67142.2 Ų142.269%0.69180%0.8SS**  trans101.395.2-170.800000110.7
657S27.1Very low31.1Very low114 Ų114142.6 Ų142.680%0.79781%0.808SS**  cis77.413726.5-43.30000114.8
658S31.7Very low31Very low122 Ų122141.6 Ų141.685%0.85381%0.805SS**  trans65.6128.1-168.9-60.60000114.8
659A28.5Very low31.1Very low102 Ų102145.5 Ų145.584%0.84381%0.811SS**  cis86.69622.400000116.2
660A33.6Very low31.2Very low90 Ų90145.1 Ų145.174%0.74481%0.814SS**  trans-166.1115.2151.700000106.5
661Y31.7Very low31.4Very low237 Ų237143 Ų14393%0.92981%0.807SS**  81.1127.174-97.5-71.7000115.1
662A33.4Very low31.6Very low83 Ų83142.5 Ų142.569%0.68681%0.812SS**  trans65.1148.916300000118.1
663N33Very low31.5Very low139 Ų139143.6 Ų143.674%0.74381%0.806SS**  cis-156.3155.9-17.2-110-12.6000110.6
664N31.8Very low31.6Very low145 Ų145142.1 Ų142.178%0.77580%0.804SS**  trans41.8100.6151.6-57.9-17.4000119.4
665C31.6Very low31.5Very low134 Ų134138.5 Ų138.591%0.90580%0.802SS**  -151.8138.5127.9-135.40000112.5
666T33.1Very low31.6Very low132 Ų132142 Ų14281%0.8181%0.806SS**  trans-76.4137.4-167.849.60000114.9
667V34.7Very low31.6Very low145 Ų145145 Ų14588%0.87981%0.806SS**  -170.5153.7128.9141.40000108.7
668R29.3Very low31.8Very low242 Ų242144.2 Ų144.291%0.91380%0.8SS**  trans-87.8153.9-162.7-66.3-178175.8-173.5-1.9115.1
669H29.8Very low31.7Very low182 Ų182148.6 Ų148.684%0.84380%0.798SS**  trans-65.1152.8171.2-58.3-101000113.5
670S32.1Very low31.9Very low117 Ų117148.7 Ų148.782%0.81879%0.79SS**  trans-147.2123.7156.249.60000111
671H33.7Very low31.7Very low163 Ų163151.3 Ų151.376%0.75579%0.789SS**  trans-76.7155167.8-75.3-111.5000110.2Q673H671-Q673 PolarHBondContact O-N 3.2Å
672P35.7Very low31.7Very low131 Ų131144.9 Ų144.985%0.85178%0.778SS**  trans-68.395.7159.130.2-32000108.9
673Q31.4Very low31.6Very low151 Ų151145.1 Ų145.171%0.70678%0.78SS**  trans-70.4153.6176.6-89.8-161.7-22.700112.5H671H671-Q673 PolarHBondContact O-N 3.2Å
674P29.3Very low31.4Very low102 Ų102145.4 Ų145.466%0.66278%0.781SS**  trans-65144.8164.330.6-35.1000110.4Y676P674-Y676 VanDerWaalsContact C-N 3.29Å; P674-Y676 PolarHBondContact O-N 3.36Å
675L30.9Very low31.3Very low167 Ų167146 Ų14687%0.87478%0.779SS**SBendtrans-79.874.5179.4-72.7176.6000112.4
676Y28.6Very low31Very low217 Ų217144.2 Ų144.285%0.85177%0.767SS**  trans-123.8105.1159.1-95-84.1000109.6P674P674-Y676 VanDerWaalsContact C-N 3.29Å; P674-Y676 PolarHBondContact O-N 3.36Å
677L31.9Very low30.8Very low130 Ų130145 Ų14568%0.68176%0.761SS**  trans-118119.4162.8-77.784.4000106
678S31.2Very low30.7Very low98 Ų98145.4 Ų145.469%0.68576%0.756SS**  63.6130.162.794.50000110.9
679R31.2Very low30.7Very low214 Ų214141 Ų14181%0.80875%0.751SS**  cis-157.8-179.828.3-119.9-179.3164-163.9-4.3108.3
680P32Very low31.1Very low103 Ų103136.4 Ų136.467%0.66974%0.737SS**  cis-127.8168.8-3.440.2-24.1000116
681M29.5Very low31.1Very low146 Ų146139.4 Ų139.472%0.71974%0.735SS**  19.8138.5126.7-38-72.1-74.700117.8
682S31.8Very low30.9Very low102 Ų102140.5 Ų140.571%0.71373%0.733SS**  cis-144.5144.725.4-580000110.5
683A30.5Very low30.9Very low88 Ų88140.3 Ų140.373%0.72773%0.725SS**  62.1138.394.600000115.2
684L29.4Very low31Very low145 Ų145138.8 Ų138.876%0.75972%0.718SS**  cis-165.4151.9-4.9-117.5171.8000109.3
685H29.2Very low31.3Very low158 Ų158144.4 Ų144.473%0.73173%0.726SS**  trans56.2130.7153.5-8625.6000120.5
686C26.2Very low31.5Very low96 Ų96142.3 Ų142.365%0.64972%0.715SS**  71.2148.976.2-58.80000112.7
687H29Very low31.7Very low149 Ų149138.5 Ų138.569%0.6971%0.71SS**  cis-158.6-161.813-150.8-143.3000111.5
688I31.8Very low31.8Very low152 Ų152139 Ų13978%0.77971%0.711SS**  trans84108.3153.1-68.5148.9000118.9
689N30.1Very low31.9Very low151 Ų151142.3 Ų142.381%0.80772%0.716SS**  trans-76.2-141.5161.3-146-10.5000107.7
690P38.4Very low32Very low84 Ų84141.3 Ų141.355%0.54572%0.721SS.*  cis-130.1-147.4-25.527.6-1.1000111.1
691K31.7Very low31.7Very low180 Ų180141.7 Ų141.778%0.78373%0.726SS**  trans82.6142154.1-73.6166.2-175.1173.80117.2
692R29.1Very low31.9Very low187 Ų187140 Ų14071%0.70673%0.726SS**  cis-168.7178.4-12.7-160.4-177.6160.2148.2-0.1109.3E694R692-E694 IonicContact CZ-OE1 3.23Å; R692-E694 VanDerWaalsContact CZ-OE1 3.23Å; R692-E694 IonicContact NE-OE1 2.69Å; R692-E694 PolarHBondContact NE-OE1 3.11Å; R692-E694 IonicContact NH2-OE1 2.8Å; R692-E694 PolarHBondContact NH2-OE1 2.97Å
693N34.6Very low31.7Very low127 Ų127140.4 Ų140.468%0.67973%0.729SS**  trans93.7142.8155.9-645.8000117.7
694E34.6Very low31.7Very low118 Ų118141.3 Ų141.355%0.55173%0.727SS**  cis-174.9175.2-36.1-118.8166.7-152.200108.7R692R692-E694 IonicContact CZ-OE1 3.23Å; R692-E694 VanDerWaalsContact CZ-OE1 3.23Å; R692-E694 IonicContact NE-OE1 2.69Å; R692-E694 PolarHBondContact NE-OE1 3.11Å; R692-E694 IonicContact NH2-OE1 2.8Å; R692-E694 PolarHBondContact NH2-OE1 2.97Å
695R36.3Very low31.9Very low220 Ų220142.8 Ų142.883%0.8373%0.734SS**  trans77.6136.1172.2-54.4-176.5-176.8179.2-0.4115.3
696N35.4Very low32Very low123 Ų123142 Ų14266%0.65873%0.731SS**  cis-156.3145.4-1.5-103.7-7.4000110.6
697N32.2Very low32.4Very low137 Ų137142.6 Ų142.673%0.73373%0.733SS**  trans50.4136.9137.4-63.5-0.9000120.7
698I34.2Very low32.7Very low140 Ų140140.6 Ų140.672%0.71873%0.733SS**  cis-148.4123.816.4-104.1142.3000111.2
699Q32.2Very low32.6Very low169 Ų169138.7 Ų138.779%0.7973%0.729SS**  trans32105.1132.4-164.2-179.713.800121.2
700Q32.8Very low32.6Very low193 Ų193138.3 Ų138.390%0.90273%0.726SS**  -168.3156116.6-101.7165.554.700111.1
701S27.1Very low32.1Very low111 Ų111137.8 Ų137.878%0.77673%0.728SS**  trans-134.5178.6-169.163.10000110.2
702P33.5Very low31.9Very low110 Ų110133.6 Ų133.671%0.71473%0.727SS**  cis-136.4-157.54.244-25.6000114.1
703S27.6Very low31.8Very low111 Ų111130.2 Ų130.278%0.77673%0.731SS**  trans82.2157159.679.10000118.1
704P30.4Very low31.5Very low106 Ų106129.1 Ų129.169%0.68872%0.724SS**  trans-96.6162.6-15537.9-36.1000114.8
705I33.6Very low31.4Very low176 Ų176130.1 Ų130.190%0.90374%0.739SS**  trans-106.990162.5-56.8178.5000107.6
706E32Very low31.4Very low143 Ų143123.6 Ų123.667%0.66873%0.732SS**  trans-61.1157.4162.9-71.9-179102.200110.6
707P32.9Very low31.3Very low108 Ų108123.7 Ų123.770%0.70174%0.742SS**  trans-56.7131.9159.427.9-34000108.1T709P707-T709 PolarHBondContact O-N 2.83Å
708P35.5Very low31.6Very low107 Ų107120 Ų12070%0.69573%0.731SS**  trans-65.5107.7-175.425-33.4000110.1I710P708-I710 HydrophobicContact CB-CG1 4.15Å; P708-I710 WeakPolarHBondContact O-CG1 3.44Å; P708-I710 PolarHBondContact O-N 3.47Å
709T29.5Very low32.3Very low112 Ų112115.1 Ų115.169%0.68771%0.714SS**  trans-65.185.8166.5-61.50000108.2P707 A711P707-T709 PolarHBondContact O-N 2.83Å; T709-A711 HydrophobicContact CG2-CB 4.21Å; T709-A711 PolarHBondContact O-N 3.39Å
710I30.9Very low33.3Very low143 Ų143111.2 Ų111.273%0.73370%0.704SS**  trans-79.262.8174.9-49.6-176.5000109.1P708P708-I710 HydrophobicContact CB-CG1 4.15Å; P708-I710 WeakPolarHBondContact O-CG1 3.44Å; P708-I710 PolarHBondContact O-N 3.47Å
711A28.3Very low34.5Very low72 Ų72109.1 Ų109.160%0.59570%0.699SS**SBendtrans-128137.2162.900000106.9T709T709-A711 HydrophobicContact CG2-CB 4.21Å; T709-A711 PolarHBondContact O-N 3.39Å
712A28.1Very low36.6Very low92 Ų92105 Ų10576%0.7667%0.67SS**SBendtrans69.3168.9-163.300000115.7
713C27.1Very low37.8Very low116 Ų116105.1 Ų105.178%0.78467%0.671SS**  trans67.449.8174.2-590000118.8
714L27.6Very low38.8Very low104 Ų104105.4 Ų105.455%0.54566%0.656SS.*  trans-123.843.2153.8-79.1-178.4000113P752L714-P752 HydrophobicContact CD1-CG 4.44Å
715T33Very low40.4Very low140 Ų140104.1 Ų104.186%0.85964%0.641SS**  trans-105.742.8167.734.40000111.7
716A35.6Very low41.9Very low82 Ų8298 Ų9868%0.67862%0.617SS**SBendtrans-142.3140.5171.900000110.9A718A716-A718 PolarHBondContact O-N 3.47Å
717S33.1Very low43.2Very low126 Ų12694 Ų9488%0.88161%0.608SS**  trans-75.585.4-177.557.10000112G719S717-G719 PolarHBondContact O-N 2.94Å
718A38.5Very low44.2Very low59 Ų5994.1 Ų94.149%0.48860%0.603SS.*  trans-66.7117171.700000110.2A716A716-A718 PolarHBondContact O-N 3.47Å
719G48.2Very low45.4Very low37 Ų3797.2 Ų97.238%0.38160%0.6SS.*  trans-63.4166.1-177.600000114S717 D721 S722S717-G719 PolarHBondContact O-N 2.94Å; G719-D721 PolarHBondContact O-N 2.95Å; G719-D721 VanDerWaalsContact O-N 3.09Å; G719-S722 VanDerWaalsContact O-CB 3.31Å; G719-S722 WeakPolarHBondContact O-CB 3.13Å; G719-S722 PolarHBondContact O-N 3.45Å; G719-S722 PolarHBondContact O-OG 2.84Å
720P54.1Low46.5Very low87 Ų8795 Ų9557%0.56559%0.594SS**THydrogen-bonded Turntrans-60.4-23.2-175.925.5-35000113.6R729P720-R729 PolarHBondContact O-NH2 3.06Å
721D57Low46.9Very low150 Ų15091.2 Ų91.280%0.80259%0.59SS**THydrogen-bonded Turntrans-99.78-178.5-49.2-54.9000113.2G719G719-D721 PolarHBondContact O-N 2.95Å; G719-D721 VanDerWaalsContact O-N 3.09Å
722S71.9Confident47.4Very low23 Ų2393 Ų9316%0.16160%0.597CS.*  trans-62.8142.7176.559.50000111.7G719 Y724 M725 A726G719-S722 VanDerWaalsContact O-CB 3.31Å; G719-S722 WeakPolarHBondContact O-CB 3.13Å; G719-S722 PolarHBondContact O-N 3.45Å; G719-S722 PolarHBondContact O-OG 2.84Å; S722-Y724 PolarHBondContact O-N 3.31Å; S722-Y724 VanDerWaalsContact O-N 3.11Å; S722-M725 CarbonylContact O-C 3.58Å; S722-M725 PolarHBondContact O-N 3.29Å; S722-M725 WeakPolarHBondContact OG-CB 3.09Å; S722-M725 VanDerWaalsContact OG-CG 3.27Å; S722-M725 WeakPolarHBondContact OG-CG 3.41Å; S722-A726 PolarHBondContact O-N 3.05Å
723P59.9Low47.9Very low113 Ų11393.3 Ų93.373%0.73460%0.599SS**Hα-helixtrans-61.7-24.3-178.723.4-33.4000112.9A726 A727P723-A726 PolarHBondContact O-N 3.38Å; P723-A727 WeakPolarHBondContact O-CB 3.45Å; P723-A727 PolarHBondContact O-N 2.9Å
724Y48.5Very low48.5Very low118 Ų11891.9 Ų91.946%0.46360%0.596SS.*Hα-helixtrans-65-48.6170.8-171.4-98.2000112.1S722 A726 A727 L728S722-Y724 PolarHBondContact O-N 3.31Å; S722-Y724 VanDerWaalsContact O-N 3.11Å; Y724-A726 VanDerWaalsContact C-N 3.26Å; Y724-A726 PolarHBondContact O-N 2.84Å; Y724-A727 PolarHBondContact O-N 2.84Å; Y724-L728 HydrophobicContact CD1-CD1 3.92Å; Y724-L728 HydrophobicContact CE1-CD1 3.6Å; Y724-L728 HydrophobicContact CE1-CG 4.43Å; Y724-L728 PolarHBondContact O-N 3.21Å
725M62.3Low48.7Very low78 Ų7899.4 Ų99.438%0.38462%0.617SS.*Hα-helixtrans-71.2-20.2175-66.4-66.7-85.400112.6S722 L728 R729S722-M725 CarbonylContact O-C 3.58Å; S722-M725 PolarHBondContact O-N 3.29Å; S722-M725 WeakPolarHBondContact OG-CB 3.09Å; S722-M725 VanDerWaalsContact OG-CG 3.27Å; S722-M725 WeakPolarHBondContact OG-CG 3.41Å; M725-L728 HydrophobicContact SD-CD1 4.12Å; M725-R729 PolarHBondContact O-NE 2.9Å; M725-R729 PolarHBondContact O-NH2 3.03Å
726A66.4Low48.7Very low48 Ų4896.1 Ų96.140%0.39761%0.611SS.*Hα-helixtrans-72.4-49.6167.100000111.1S722 P723 Y724 L728 R729 A730S722-A726 PolarHBondContact O-N 3.05Å; P723-A726 PolarHBondContact O-N 3.38Å; Y724-A726 VanDerWaalsContact C-N 3.26Å; Y724-A726 PolarHBondContact O-N 2.84Å; A726-L728 VanDerWaalsContact C-N 3.35Å; A726-L728 PolarHBondContact O-N 3.41Å; A726-R729 CarbonylContact O-C 3.56Å; A726-R729 PolarHBondContact O-N 2.77Å; A726-A730 WeakPolarHBondContact O-CB 3.29Å; A726-A730 PolarHBondContact O-N 3.35Å
727A58.1Low48.5Very low58 Ų58102.6 Ų102.648%0.47962%0.62SS.*Hα-helixtrans-59.1-41.8179.100000112.8P723 Y724 R729 A730 G731P723-A727 WeakPolarHBondContact O-CB 3.45Å; P723-A727 PolarHBondContact O-N 2.9Å; Y724-A727 PolarHBondContact O-N 2.84Å; A727-R729 VanDerWaalsContact C-N 3.26Å; A727-R729 PolarHBondContact O-N 3.03Å; A727-A730 PolarHBondContact O-N 3.06Å; A727-A730 VanDerWaalsContact O-N 3.13Å; A727-G731 PolarHBondContact O-N 3.14Å
728L55.2Low48.6Very low112 Ų112101.3 Ų101.359%0.58662%0.616SS**Hα-helixtrans-62.1-29.3174.7-74.9173.7000113.5Y724 M725 A726Y724-L728 HydrophobicContact CD1-CD1 3.92Å; Y724-L728 HydrophobicContact CE1-CD1 3.6Å; Y724-L728 HydrophobicContact CE1-CG 4.43Å; Y724-L728 PolarHBondContact O-N 3.21Å; M725-L728 HydrophobicContact SD-CD1 4.12Å; A726-L728 VanDerWaalsContact C-N 3.35Å; A726-L728 PolarHBondContact O-N 3.41Å
729R59.1Low48.2Very low171 Ų171104.4 Ų104.465%0.64563%0.629SS**Hα-helixtrans-87.5-21173.6-80.1174.7-69.5-173.31.6113.4P720 M725 A726 A727P720-R729 PolarHBondContact O-NH2 3.06Å; M725-R729 PolarHBondContact O-NE 2.9Å; M725-R729 PolarHBondContact O-NH2 3.03Å; A726-R729 CarbonylContact O-C 3.56Å; A726-R729 PolarHBondContact O-N 2.77Å; A727-R729 VanDerWaalsContact C-N 3.26Å; A727-R729 PolarHBondContact O-N 3.03Å
730A54.5Low47.5Very low66 Ų66104.3 Ų104.355%0.54563%0.628SS.*Hα-helixtrans-80.2-13.1-17800000114.3A726 A727 C732A726-A730 WeakPolarHBondContact O-CB 3.29Å; A726-A730 PolarHBondContact O-N 3.35Å; A727-A730 PolarHBondContact O-N 3.06Å; A727-A730 VanDerWaalsContact O-N 3.13Å; A730-C732 VanDerWaalsContact C-N 3.28Å; A730-C732 PolarHBondContact O-N 3.26Å
731G39.2Very low46.4Very low63 Ų63111 Ų11165%0.64964%0.642SS**THydrogen-bonded Turntrans65.623170.300000115.4A727 A733A727-G731 PolarHBondContact O-N 3.14Å; G731-A733 PolarHBondContact O-N 3.43Å
732C38.7Very low45.4Very low110 Ų110111.7 Ų111.774%0.74364%0.644SS**  trans-70.495.2-174.1-58.40000112.5A730 A734A730-C732 VanDerWaalsContact C-N 3.28Å; A730-C732 PolarHBondContact O-N 3.26Å; C732-A734 PolarHBondContact O-N 2.79Å
733A38.6Very low43.4Very low99 Ų99113 Ų11382%0.81866%0.661SS**  trans-65.7112.5176.300000112G731 R735G731-A733 PolarHBondContact O-N 3.43Å; A733-R735 PolarHBondContact O-N 2.87Å
734A38.4Very low42.3Very low86 Ų86111.4 Ų111.471%0.71165%0.646SS**  trans-67.3122.2175.100000111.3C732 G736C732-A734 PolarHBondContact O-N 2.79Å; A734-G736 PolarHBondContact O-N 3.37Å
735R32.6Very low41.8Very low261 Ų261111.3 Ų111.399%0.98566%0.661SS**THydrogen-bonded Turntrans-76.579.2-170-168.1-174.1-165.5178.55.4112.3A733A733-R735 PolarHBondContact O-N 2.87Å
736G33.1Very low40.5Very low72 Ų72118.5 Ų118.574%0.74268%0.683SS**THydrogen-bonded Turntrans-176.5-33.4173.900000116.4A734A734-G736 PolarHBondContact O-N 3.37Å
737Y32.1Very low39.1Very low218 Ų218119.9 Ų119.986%0.85570%0.695SS**SBendtrans-87.9147.6-177.3-76.1-90.8000113.1V739Y737-V739 PolarHBondContact O-N 2.94Å
738A33.7Very low37.9Very low98 Ų98121.1 Ų121.181%0.8170%0.7SS**  trans-76.678.5-165.900000114.5
739V31.4Very low36.8Very low125 Ų125122.2 Ų122.276%0.75871%0.705SS**SBendtrans31.8123.9149.2-174.70000117.9Y737 R1228Y737-V739 PolarHBondContact O-N 2.94Å; V739-R1228 VanDerWaalsContact O-CZ 3.32Å; V739-R1228 PolarHBondContact O-NH1 2.82Å; V739-R1228 PolarHBondContact O-NH2 2.75Å
740G31.8Very low35.8Very low35 Ų35118 Ų11836%0.36171%0.707SS.*  trans116.645.8157.700000115.1R1228G740-R1228 VanDerWaalsContact C-NH1 3.27Å; G740-R1228 WeakPolarHBondContact O-CD 3.34Å; G740-R1228 PolarHBondContact O-NH1 3.24Å
741W31.6Very low34.7Very low227 Ų227125 Ų12586%0.8672%0.721SS**  trans-127.3163.7152-70.782.7000106.6
742I37.3Very low34.5Very low165 Ų165126.7 Ų126.785%0.84672%0.72SS**  trans72.777.8-171.9-45.5169.8000112.7
743G30.1Very low34.3Very low50 Ų50125.1 Ų125.152%0.51572%0.723SS.*  trans-123-3.5168.500000114.7E1229G743-E1229 WeakPolarHBondContact CA-OE1 3.26Å
744N35.5Very low34.1Very low79 Ų79126.3 Ų126.342%0.42272%0.715SS.*  trans-148.1120.9-178.6-166.2-33000111.7R746 A747N744-R746 PolarHBondContact O-N 3.33Å; N744-R746 VanDerWaalsContact O-N 3.12Å; N744-R746 PolarHBondContact OD1-N 2.8Å; N744-A747 HydrophobicContact CB-CB 4.24Å; N744-A747 PolarHBondContact O-N 3.42Å
745P38.7Very low33.9Very low117 Ų117125.5 Ų125.576%0.7672%0.715SS**THydrogen-bonded Turntrans-70-3.4-179.729.5-35.8000114.3S748P745-S748 PolarHBondContact O-OG 3.15Å
746R34.7Very low33.8Very low228 Ų228120.5 Ų120.586%0.8671%0.707SS**THydrogen-bonded Turntrans-87.9-15.7166.7-80-178.7157179.7-6.7114.2N744N744-R746 PolarHBondContact O-N 3.33Å; N744-R746 VanDerWaalsContact O-N 3.12Å; N744-R746 PolarHBondContact OD1-N 2.8Å
747A37.7Very low33.7Very low78 Ų78123.3 Ų123.365%0.64570%0.704SS**SBendtrans-93.9-8.7-17700000113.8N744N744-A747 HydrophobicContact CB-CB 4.24Å; N744-A747 PolarHBondContact O-N 3.42Å
748S31.9Very low33.5Very low84 Ų84118.4 Ų118.459%0.58770%0.702SS**  trans-86.43.2-175470000115.3P745 A750P745-S748 PolarHBondContact O-OG 3.15Å; S748-A750 PolarHBondContact O-N 3.2Å; S748-A750 VanDerWaalsContact O-N 3.14Å
749I32.2Very low33.4Very low134 Ų134119.5 Ų119.569%0.68770%0.698SS**  trans-88.363.9172.3-47.4-179000109.5Y751I749-Y751 HydrophobicContact CG2-CE2 4.32Å
750A37.6Very low33.3Very low84 Ų84119.1 Ų119.169%0.69470%0.698SS**PPolyproline II helixtrans-91.3117171.900000109.5S748 P752S748-A750 PolarHBondContact O-N 3.2Å; S748-A750 VanDerWaalsContact O-N 3.14Å; A750-P752 WeakPolarHBondContact O-CD 3.42Å
751Y32.2Very low33.3Very low211 Ų211127.6 Ų127.683%0.82772%0.719SS**PPolyproline II helixtrans-70.7124.2179.7-78.7-98.9000111.2I749I749-Y751 HydrophobicContact CG2-CE2 4.32Å
752P35.7Very low33.3Very low99 Ų99123.4 Ų123.464%0.64372%0.721SS**PPolyproline II helixtrans-65.5140.5170.1-2033.9000111.3L714 A750 L754L714-P752 HydrophobicContact CD1-CG 4.44Å; A750-P752 WeakPolarHBondContact O-CD 3.42Å; P752-L754 PolarHBondContact O-N 3.09Å
753G32.9Very low33.2Very low78 Ų78119.7 Ų119.780%0.80471%0.71SS**PPolyproline II helixtrans-51.1124.8-161.500000117.7
754L35.6Very low33.4Very low124 Ų124128.3 Ų128.365%0.64973%0.727SS**  trans-131.9135.3149.4-69177000107.7P752 L757P752-L754 PolarHBondContact O-N 3.09Å; L754-L757 HydrophobicContact CD1-CB 4.13Å; L754-L757 HydrophobicContact CD1-CD1 3.88Å; L754-L757 HydrophobicContact CD1-CG 4.33Å
755G33Very low33.2Very low68 Ų68133.2 Ų133.270%0.70175%0.752SS**SBendcis78.655.110.300000111.9
756L31.7Very low33.2Very low156 Ų156132 Ų13282%0.81775%0.752SS**SBendtrans58.373.4172.9-59.3175.9000116
757L30.2Very low33Very low131 Ų131124 Ų12469%0.68674%0.741SS**  trans-131.8126.8146-107178.4000111.3L754 V759L754-L757 HydrophobicContact CD1-CB 4.13Å; L754-L757 HydrophobicContact CD1-CD1 3.88Å; L754-L757 HydrophobicContact CD1-CG 4.33Å; L757-V759 PolarHBondContact O-N 2.91Å
758S27.2Very low32.8Very low115 Ų115125.6 Ų125.680%0.80475%0.747SS**  trans-81.775.3-177.955.80000111.5
759V32.2Very low32.9Very low122 Ų122124.6 Ų124.674%0.73974%0.744SS**PPolyproline II helixtrans-70.3130.7167.8-176.30000108.6L757 R761L757-V759 PolarHBondContact O-N 2.91Å; V759-R761 PolarHBondContact O-N 3.24Å; V759-R761 VanDerWaalsContact O-N 3.16Å
760P30.6Very low33.1Very low116 Ų116127.6 Ų127.675%0.75375%0.752SS**PPolyproline II helixtrans-61.4120.1-174.1-24.734.4000112.4
761R31Very low33Very low213 Ų213131.2 Ų131.280%0.80476%0.759SS**PPolyproline II helixtrans-58.7139.8160.5-78.4-178.6175.3166.7-0.3108.3V759 S763V759-R761 PolarHBondContact O-N 3.24Å; V759-R761 VanDerWaalsContact O-N 3.16Å; R761-S763 WeakPolarHBondContact CB-OG 3.37Å; R761-S763 PolarHBondContact O-N 2.61Å; R761-S763 PolarHBondContact O-OG 3.48Å
762P31.2Very low32.9Very low139 Ų139125.4 Ų125.490%0.90375%0.749SS**  trans-6680166.928.3-33.8000109.4R764P762-R764 PolarHBondContact O-N 2.79Å
763S35.2Very low33Very low87 Ų87128.3 Ų128.361%0.60875%0.754SS**  trans-91.493.5-165.9-59.30000108.8R761 L765R761-S763 WeakPolarHBondContact CB-OG 3.37Å; R761-S763 PolarHBondContact O-N 2.61Å; R761-S763 PolarHBondContact O-OG 3.48Å; S763-L765 PolarHBondContact O-N 2.74Å; S763-L765 VanDerWaalsContact O-N 3.15Å
764R34.4Very low33.3Very low232 Ų232131.1 Ų131.188%0.87576%0.756SS**  trans23.180.1162.5-69.8179.6168.7176.7-4.9114.1P762 A766P762-R764 PolarHBondContact O-N 2.79Å; R764-A766 PolarHBondContact O-N 3.35Å
765L30.6Very low33.5Very low181 Ų181132.2 Ų132.295%0.94876%0.762SS**  trans-68.179.8161.7-95.3167.4000108.9S763S763-L765 PolarHBondContact O-N 2.74Å; S763-L765 VanDerWaalsContact O-N 3.15Å
766A38.5Very low34.2Very low91 Ų91134.2 Ų134.275%0.75276%0.762SS**  trans-88.6106.6172.300000108.6R764R764-A766 PolarHBondContact O-N 3.35Å
767G32.3Very low34.4Very low61 Ų61132.3 Ų132.363%0.62975%0.753SS**SBendtrans80.2102.5162.400000117.3
768S31.9Very low35.2Very low112 Ų112131.8 Ų131.878%0.78375%0.75SS**  trans67.2146.7145.862.30000121.1
769A35.1Very low36.1Very low62 Ų62128.9 Ų128.951%0.51273%0.73SS.*  trans73.7150.3175.700000117.5
770F35Very low36.6Very low197 Ų197130.9 Ų130.986%0.86473%0.729SS**SBendtrans60.569.6177.1-64.4-81.1000118.1
771L36.2Very low37.2Very low160 Ų160131.4 Ų131.484%0.83873%0.725SS**  -163.562.9123.4-105.1176.5000110.6
772S31.4Very low38Very low89 Ų89125.9 Ų125.962%0.62272%0.718SS**  trans-80.5153.5159.650.40000109.6
773H37.8Very low38.5Very low160 Ų160124.3 Ų124.374%0.74170%0.699SS**SBendtrans73.8136.3-171.5-41.5-75000114.9
774T38.9Very low38.9Very low137 Ų137123 Ų12384%0.8469%0.693SS**SBendtrans71.232.4174.171.90000119
775L39.8Very low39.5Very low148 Ų148114.5 Ų114.578%0.77568%0.678SS**SBendtrans-114.9139.4149.2-78.4175.5000110.1
776P46.7Very low40.1Very low109 Ų109108.3 Ų108.371%0.70865%0.653SS**  trans-61.5148.3169.3-20.232.9000111.1L778P776-L778 PolarHBondContact O-N 3.38Å
777D37.2Very low40.5Very low116 Ų116107 Ų10762%0.6263%0.631SS**  trans-72.2103-171.3-157.7-31.2000112S779D777-S779 PolarHBondContact O-N 3.44Å; D777-S779 WeakPolarHBondContact OD1-CB 3.45Å; D777-S779 PolarHBondContact OD1-N 3.48Å; D777-S779 VanDerWaalsContact OD1-N 3.1Å; D777-S779 PolarHBondContact OD1-OG 3.44Å
778L45.1Very low41.3Very low121 Ų121112.5 Ų112.563%0.63464%0.64SS**THydrogen-bonded Turntrans-781.7-179.2-69.3171.7000113.4P776 F780 L781P776-L778 PolarHBondContact O-N 3.38Å; L778-F780 PolarHBondContact O-N 3.4Å; L778-L781 HydrophobicContact CD2-CD1 3.95Å; L778-L781 PolarHBondContact O-N 3.31Å
779S46.6Very low42.1Very low53 Ų53114.3 Ų114.337%0.37164%0.641SS.*Hα-helixtrans-51.3-37168.654.70000112.1D777 L781 S782 Q783D777-S779 PolarHBondContact O-N 3.44Å; D777-S779 WeakPolarHBondContact OD1-CB 3.45Å; D777-S779 PolarHBondContact OD1-N 3.48Å; D777-S779 VanDerWaalsContact OD1-N 3.1Å; D777-S779 PolarHBondContact OD1-OG 3.44Å; S779-L781 PolarHBondContact O-N 2.74Å; S779-L781 VanDerWaalsContact O-N 3.13Å; S779-S782 PolarHBondContact O-N 3.13Å; S779-Q783 VanDerWaalsContact O-CB 3.3Å; S779-Q783 WeakPolarHBondContact O-CB 3.14Å; S779-Q783 PolarHBondContact O-N 3.4Å
780F42.8Very low42.7Very low165 Ų165121.8 Ų121.872%0.72466%0.656SS**Hα-helixtrans-56-28.1175.5-77.6-81.3000114.5L778 A784L778-F780 PolarHBondContact O-N 3.4Å; F780-A784 WeakPolarHBondContact O-CB 2.88Å; F780-A784 PolarHBondContact O-N 2.94Å
781L43.2Very low42.9Very low127 Ų127120.3 Ų120.367%0.66565%0.649SS**Hα-helixtrans-86-36179.3-90.1163.1000113.1L778 S779 Q783 G785L778-L781 HydrophobicContact CD2-CD1 3.95Å; L778-L781 PolarHBondContact O-N 3.31Å; S779-L781 PolarHBondContact O-N 2.74Å; S779-L781 VanDerWaalsContact O-N 3.13Å; L781-Q783 VanDerWaalsContact C-N 3.34Å; L781-G785 PolarHBondContact O-N 3Å
782S47.7Very low42.7Very low96 Ų96115.5 Ų115.567%0.67164%0.639SS**Hα-helixtrans-73-31171.6-162.80000111.5S779 A786S779-S782 PolarHBondContact O-N 3.13Å; S782-A786 WeakPolarHBondContact O-CB 3.47Å; S782-A786 PolarHBondContact O-N 2.84Å
783Q43Very low42.6Very low107 Ų107117.5 Ų117.550%0.565%0.648SS.*Hα-helixtrans-75.1-37.8172.2-165.1153.92.300111.4S779 L781 G785 A786 E787S779-Q783 VanDerWaalsContact O-CB 3.3Å; S779-Q783 WeakPolarHBondContact O-CB 3.14Å; S779-Q783 PolarHBondContact O-N 3.4Å; L781-Q783 VanDerWaalsContact C-N 3.34Å; Q783-G785 VanDerWaalsContact C-N 3.26Å; Q783-G785 PolarHBondContact O-N 3.3Å; Q783-A786 PolarHBondContact O-N 3.13Å; Q783-E787 HydrophobicContact CG-CB 4.25Å; Q783-E787 WeakPolarHBondContact CG-OE2 3.37Å; Q783-E787 PolarHBondContact NE2-OE2 3.13Å; Q783-E787 WeakPolarHBondContact O-CB 3.37Å; Q783-E787 PolarHBondContact O-N 3.22Å
784A42.8Very low42.4Very low58 Ų58115.4 Ų115.448%0.47965%0.648SS.*Hα-helixtrans-54.7-42.4170.500000112.3F780 A786F780-A784 WeakPolarHBondContact O-CB 2.88Å; F780-A784 PolarHBondContact O-N 2.94Å; A784-A786 VanDerWaalsContact C-N 3.32Å; A784-A786 PolarHBondContact O-N 2.82Å
785G46.1Very low41.9Very low55 Ų55114.5 Ų114.557%0.56764%0.643SS**Hα-helixtrans-80.54.9177.300000116.6L781 Q783L781-G785 PolarHBondContact O-N 3Å; Q783-G785 VanDerWaalsContact C-N 3.26Å; Q783-G785 PolarHBondContact O-N 3.3Å
786A44.4Very low41.4Very low50 Ų50115.8 Ų115.841%0.41365%0.647SS.*Hα-helixtrans-135.6-19-179.400000114.2S782 Q783 A784S782-A786 WeakPolarHBondContact O-CB 3.47Å; S782-A786 PolarHBondContact O-N 2.84Å; Q783-A786 PolarHBondContact O-N 3.13Å; A784-A786 VanDerWaalsContact C-N 3.32Å; A784-A786 PolarHBondContact O-N 2.82Å
787E47.7Very low40.7Very low64 Ų64114.8 Ų114.830%0.29964%0.639SS.*Hα-helixtrans-76.4-28.3169.9-15876.9-135.200110.7Q783 D789 R790 K791Q783-E787 HydrophobicContact CG-CB 4.25Å; Q783-E787 WeakPolarHBondContact CG-OE2 3.37Å; Q783-E787 PolarHBondContact NE2-OE2 3.13Å; Q783-E787 WeakPolarHBondContact O-CB 3.37Å; Q783-E787 PolarHBondContact O-N 3.22Å; E787-D789 PolarHBondContact O-N 3.18Å; E787-R790 PolarHBondContact O-N 3.4Å; E787-R790 VanDerWaalsContact O-N 3.13Å; E787-K791 HydrophobicContact CG-CD 4.12Å; E787-K791 HydrophobicContact CG-CG 4.01Å; E787-K791 PolarHBondContact O-N 3.47Å; E787-K791 WeakPolarHBondContact OE1-CE 3.31Å; E787-K791 VanDerWaalsContact OE1-CG 3.31Å; E787-K791 WeakPolarHBondContact OE1-CG 2.81Å; E787-K791 IonicContact OE1-NZ 3.87Å
788E48.3Very low40.3Very low176 Ų176119.4 Ų119.482%0.82265%0.654SS**THydrogen-bonded Turntrans-59.1-31.4170.8-170.4164.7-154.600112.1
789D49.2Very low39.5Very low150 Ų150123.2 Ų123.280%0.80266%0.659SS**THydrogen-bonded Turntrans-90.1-5.6176.4-92.3-28.6000114.5E787E787-D789 PolarHBondContact O-N 3.18Å
790R46.5Very low38.8Very low220 Ų220130.8 Ų130.883%0.8368%0.68SS**THydrogen-bonded Turntrans-130.3-13.2-171-76-172.8171.8160.60.9117.9E787 G792E787-R790 PolarHBondContact O-N 3.4Å; E787-R790 VanDerWaalsContact O-N 3.13Å; R790-G792 PolarHBondContact O-N 2.88Å
791K40.3Very low38Very low165 Ų165127 Ų12772%0.71768%0.679SS**  trans-87.274.1167.5-70.5-161-173.7-166.10112.9E787E787-K791 HydrophobicContact CG-CD 4.12Å; E787-K791 HydrophobicContact CG-CG 4.01Å; E787-K791 PolarHBondContact O-N 3.47Å; E787-K791 WeakPolarHBondContact OE1-CE 3.31Å; E787-K791 VanDerWaalsContact OE1-CG 3.31Å; E787-K791 WeakPolarHBondContact OE1-CG 2.81Å; E787-K791 IonicContact OE1-NZ 3.87Å
792G30.5Very low37.3Very low60 Ų60126.3 Ų126.362%0.61969%0.685SS**  trans-75.5160.4167.700000113.4R790R790-G792 PolarHBondContact O-N 2.88Å
793T30.7Very low36.4Very low131 Ų131127.5 Ų127.580%0.80469%0.691SS**  trans83.2136.8172.5-36.20000114.6
794P32.7Very low35.6Very low116 Ų116130.5 Ų130.575%0.75371%0.71SS**  cis-105.4130.27.211.610.5000115.7
795T29Very low35Very low118 Ų118132 Ų13272%0.72472%0.717SS**  trans-11.5122.5135.148.60000117.8
796M28.2Very low34.2Very low174 Ų174134.8 Ų134.886%0.85772%0.723SS**  trans-134.890.5133.8-95.7-13771.800111.8
797T32.8Very low33.4Very low89 Ų89138.1 Ų138.155%0.54674%0.739SS.*  trans27.8103143.559.80000119.1R799T797-R799 PolarHBondContact O-N 3.25Å
798K29.7Very low32.6Very low213 Ų213143.5 Ų143.593%0.92676%0.764SS**  7.888.8111.6-174.8-176.2-175.5175.80114.8
799R27.9Very low31.9Very low201 Ų201140.8 Ų140.876%0.75877%0.765SS**  trans-147.698.7163.6-100-172.1-175.1-165.12.6112.9T797T797-R799 PolarHBondContact O-N 3.25Å
800R30.7Very low31.2Very low212 Ų212142.9 Ų142.980%0.877%0.767SS**  trans68138.6152.3-49.6178.5173.3171.3-4.7114.1
801A26.9Very low30.8Very low85 Ų85142.1 Ų142.170%0.70277%0.769SS**  cis65.6128.840.800000112.2
802S27.6Very low30.8Very low113 Ų113143.7 Ų143.779%0.7978%0.776SS**  trans60142.3-154.973.40000112.4
803C28.5Very low30.9Very low120 Ų120146.3 Ų146.381%0.81178%0.784SS**  cis-99.8108.712.6-45.60000112.6
804L27.1Very low31.1Very low171 Ų171146.3 Ų146.390%0.89578%0.783SS**  trans-87.4100153-97.7164.8000106.9
805S31Very low31.2Very low90 Ų90146.3 Ų146.363%0.62979%0.785SS**  trans-139.795.816154.60000106
806T28Very low31.5Very low112 Ų112147.4 Ų147.469%0.68779%0.792SS**  42.9132.783.967.30000113.6
807T27.3Very low32.2Very low121 Ų121149 Ų14974%0.74279%0.794SS**  trans59.4109.5168.253.90000118.1
808Q30.7Very low32.3Very low176 Ų176149.8 Ų149.882%0.82280%0.802SS**  trans69.5132.6137.2-56.8-174.216.800121.4
809S34.2Very low32.6Very low120 Ų120143.6 Ų143.684%0.83980%0.798SS**  trans83150.6146.386.80000119.7
810K34.2Very low32.8Very low194 Ų194139.4 Ų139.484%0.84380%0.798SS**  trans-83131.4-171.7-55.5150.9179.2170.20110.3
811K39.7Very low33.1Very low203 Ų203140.5 Ų140.588%0.88380%0.803SS**  172.1136.6125.2-90.2149.9-170.2175.40114.2
812K38.7Very low33.5Very low199 Ų199140.8 Ų140.887%0.86580%0.799SS**  trans21.1114.9153.5-64.2-177.7175-177.10120.5
813C32.4Very low33.9Very low115 Ų115141.9 Ų141.978%0.77780%0.802SS**  trans-157.296.9135.4-170.90000108.4
814T35Very low33.9Very low130 Ų130141.1 Ų141.180%0.79880%0.798SS**  44.976.487.260.20000115.3
815C34.7Very low34.2Very low117 Ų117138.2 Ų138.279%0.79180%0.798SS**  trans-129.4125.6161.3-171.70000110.5K817C815-K817 PolarHBondContact O-N 2.96Å
816T36.3Very low34.2Very low140 Ų140137.5 Ų137.586%0.85981%0.805SS**  trans-91.985.8-167.748.20000112.2
817K42.6Very low34.3Very low208 Ų208143.7 Ų143.790%0.90482%0.816SS**  trans-150.24.6169.1-133.4162.9-175.9172.30118.5C815C815-K817 PolarHBondContact O-N 2.96Å
818C34.8Very low34.6Very low106 Ų106144 Ų14472%0.71682%0.817SS**  trans-105.6110.2167.6500000110.8C820C818-C820 VanDerWaalsContact C-N 3.27Å; C818-C820 PolarHBondContact O-N 3.28Å
819G37Very low34.8Very low82 Ų82141.6 Ų141.685%0.84582%0.82SS**  trans-81.544.1-17100000115.7R821G819-R821 PolarHBondContact O-N 3.04Å; G819-R821 VanDerWaalsContact O-N 3.14Å
820C30.7Very low34.9Very low113 Ų113140.6 Ų140.676%0.76481%0.813SS**  trans-82.490.3-171-60.10000113.5C818C818-C820 VanDerWaalsContact C-N 3.27Å; C818-C820 PolarHBondContact O-N 3.28Å
821R37.7Very low34.9Very low236 Ų236141.8 Ų141.889%0.89182%0.818SS**  trans-151.5152.3164.1-68.3-174.3177.8-126.52.4109.8G819G819-R821 PolarHBondContact O-N 3.04Å; G819-R821 VanDerWaalsContact O-N 3.14Å
822S34.3Very low34.6Very low91 Ų91135.4 Ų135.464%0.63681%0.81SS**  cis-175.1161.8-22.7-87.50000107.7
823T36.1Very low34.5Very low136 Ų136132.2 Ų132.283%0.83481%0.807SS**  trans62.4171.6162.251.40000118.8
824S29.3Very low34.4Very low104 Ų104132.2 Ų132.273%0.72781%0.807SS**  -174160.9-67.2520000112.2
825A32.6Very low34.4Very low110 Ų110130.7 Ų130.791%0.90980%0.802SS**  trans83.3152.6163.600000119.6
826G31.1Very low34.3Very low75 Ų75131.4 Ų131.477%0.77380%0.798SS**  trans149.7121.317900000112.4
827R30.3Very low34.3Very low242 Ų242134.2 Ų134.291%0.91380%0.798SS**  trans-142.9167.9-180-82.8-172.2171.9-176.5-1.2111.2
828V33.5Very low33.9Very low127 Ų127129.6 Ų129.677%0.7779%0.792SS**  trans86.5126.7155.4-164.90000118.5
829S35.7Very low33.9Very low126 Ų126129.5 Ų129.588%0.88179%0.792SS**  trans-149.3149141.6-175.50000107.4
830S35.5Very low33.8Very low99 Ų99133.8 Ų133.869%0.69279%0.788SS**  trans-159.3135.4-165.6560000115.7
831K34.5Very low33.9Very low219 Ų219134.6 Ų134.695%0.95278%0.784SS**  trans-151.2143.8164.2-68.2-178.5176.7178.50107.2
832G34.5Very low33.9Very low69 Ų69130.5 Ų130.571%0.71178%0.775SS**  cis170.4134.1-6.600000106.2
833T35.5Very low33.7Very low131 Ų131131.3 Ų131.380%0.80478%0.776SS**  -172.8138.571.435.80000107.9
834C30.2Very low33.7Very low115 Ų115129.5 Ų129.578%0.77777%0.769SS**  56.513396-49.50000114.3
835S35.7Very low33.7Very low99 Ų99133.2 Ų133.269%0.69277%0.772SS**  cis-149.5136.613.2-99.40000111.2
836D31.9Very low33.5Very low132 Ų132133.8 Ų133.871%0.70676%0.759SS**  75.9100.988.5-62-63.8000117.5
837K36.3Very low33.5Very low199 Ų199138 Ų13887%0.86576%0.758SS**  -173.1118116.7-91.8145.6-169.9174.50107.7
838S33.9Very low33.3Very low110 Ų110130.4 Ų130.477%0.76974%0.742SS**  58.1108.578.8-161.50000109.8
839S35.8Very low32.9Very low104 Ų104131.4 Ų131.473%0.72774%0.743SS**  cis-176.6178.34858.70000109.8
840K35Very low32.6Very low173 Ų173133 Ų13375%0.75274%0.736SS**  cis-166.4144.66.1-134.4177.6178.1-179.80107.1
841L33.2Very low32.2Very low129 Ų129134.5 Ų134.568%0.67574%0.737SS**  trans64.2155.9153.2-52.4168.1000117.3
842Q37.2Very low31.9Very low151 Ų151132.7 Ų132.771%0.70673%0.729SS**  cis-144.5150.7-10.9-125.1159.5-3300112.2
843T31Very low31.5Very low107 Ų107134.9 Ų134.966%0.65673%0.729SS**  trans-8.5146.714364.80000116.7
844S34.6Very low31.1Very low98 Ų98135.9 Ų135.969%0.68573%0.729SS**  cis-149.515845.8-69.30000110.8
845K29.3Very low31Very low183 Ų183135.1 Ų135.180%0.79672%0.723SS**  50.3136.863.9-84-178.4174.9-177.50110.3
846I29.3Very low30.7Very low122 Ų122141 Ų14163%0.62673%0.73SS**  cis-167.2162.424.7-137.1164.2000109.5
847Q29.9Very low30.6Very low162 Ų162140.1 Ų140.176%0.75773%0.725SS**  trans54.4126160.5-66.3174.7-85.600118.7
848S26.6Very low30.4Very low83 Ų83138.5 Ų138.558%0.5872%0.719SS**  cis79.6115.447840000115.2
849D26.4Very low30.5Very low148 Ų148140.5 Ų140.579%0.79171%0.714SS**  trans66160.7146.1-70.4-58.7000121
850Q29Very low30.4Very low159 Ų159140.1 Ų140.174%0.74370%0.704SS**  trans77.3111.9171.2-44.2-156.140.900114
851N26.5Very low30.2Very low132 Ų132137.8 Ų137.871%0.70670%0.699SS**  67.6131.662.6-74.3-51.1000112.9
852K27.7Very low30.2Very low180 Ų180138.5 Ų138.578%0.78370%0.699SS**  trans69154165.5-57.4160.1-178.31770112.9
853T27.1Very low29.8Very low115 Ų115137.1 Ų137.171%0.70669%0.693SS**  cis-155.4-168.3-12.912.80000106.9
854L27.5Very low29.8Very low153 Ų153143.6 Ų143.680%0.80171%0.705SS**  trans74.4144.4173.5-71.298.2000114.9
855C26.3Very low29.5Very low98 Ų98143.4 Ų143.466%0.66270%0.696SS**  cis-165145.1-28.4-126.40000108.5
856R29.5Very low29.8Very low222 Ų222141.2 Ų141.284%0.83870%0.698SS**  trans65.7151.8170.7-57.6173.9179.8170-1.6113
857N29.7Very low29.8Very low114 Ų114139.9 Ų139.961%0.6170%0.698SS**  cis-154.5-170.5-18.4-114.6-4.5000108.5
858F34Very low29.8Very low166 Ų166138.5 Ų138.573%0.72870%0.695SS**  trans6.1131.5136.7-50.1-45.6000117
859K34.5Very low29.6Very low152 Ų152141.6 Ų141.666%0.66170%0.704SS**  cis-172.6-172.77.1-131.1164.5145-98.30111.4
860D33.5Very low29.7Very low96 Ų96141.6 Ų141.651%0.51370%0.702SS.*  trans43.8106.8145.7-54.2-24.6000116.1
861N31.1Very low29.6Very low123 Ų123139.2 Ų139.266%0.65870%0.703SS**  116.8139.369.9-88-3.6000106.8
862E33.1Very low29.6Very low144 Ų144138.1 Ų138.167%0.67370%0.702SS**  cis-127142.2-9.8-98.5177.893.100107.8
863Q28.8Very low29.5Very low123 Ų123136.6 Ų136.658%0.57570%0.7SS**  48.7121.986.9-64.5173.7-113.700112.8N865Q863-N865 PolarHBondContact NE2-ND2 2.9Å; Q863-N865 PolarHBondContact NE2-OD1 3.44Å
864R32.1Very low29.5Very low243 Ų243136.6 Ų136.692%0.91771%0.705SS**  cis54.643.932.2-158-140.9-99.4-177.5-6.2113.4
865N28.6Very low30.1Very low93 Ų93140.6 Ų140.650%0.49771%0.71SS.*  trans-123.2143.3149.3-55.9-45.2000105.1Q863Q863-N865 PolarHBondContact NE2-ND2 2.9Å; Q863-N865 PolarHBondContact NE2-OD1 3.44Å
866T35.7Very low30.4Very low137 Ų137141.4 Ų141.484%0.8471%0.714SS**  cis-119.8147.314.944.60000113.6
867P28.6Very low30.3Very low95 Ų95136.7 Ų136.762%0.61771%0.705SS**  trans-97.5-154.6166.640-32.6000110.9
868D28.8Very low30.4Very low132 Ų132135.5 Ų135.571%0.70671%0.706SS**  trans71.7136.2168.7-54.1-32.6000116.2
869I24Very low30.5Very low149 Ų149131.2 Ų131.276%0.76469%0.691SS**  cis72.975.834.3-47.5168.2000112.3
870I27.6Very low30.6Very low147 Ų147130.9 Ų130.975%0.75470%0.696SS**  trans-122.5113.9146.1-63.8-174.9000108.8T872I870-T872 VanDerWaalsContact CG2-OG1 3.27Å; I870-T872 WeakPolarHBondContact CG2-OG1 3.1Å
871S27.2Very low31.1Very low109 Ų109132.3 Ų132.376%0.76271%0.708SS**  trans-120.687.6161.5-69.80000107.8
872T25.5Very low31.8Very low109 Ų109133.4 Ų133.467%0.66971%0.713SS**  trans-140.8129.4169.542.90000107.7I870I870-T872 VanDerWaalsContact CG2-OG1 3.27Å; I870-T872 WeakPolarHBondContact CG2-OG1 3.1Å
873I26.4Very low31.8Very low148 Ų148133 Ų13376%0.75972%0.721SS**  73.2124.351.7-58.3164.5000110.9
874S27.5Very low31.6Very low115 Ų115137.6 Ų137.680%0.80473%0.733SS**  trans91.3140.2170.1-62.70000120.7
875R39.5Very low31.4Very low237 Ų237131.4 Ų131.489%0.89472%0.723SS**  trans-80-178167.8-51.1151.8158168-11.3109.9
876P32.7Very low31.7Very low115 Ų115135 Ų13575%0.74774%0.737SS**  cis-135.5175.6-20.136-16.5000116.4
877N26.7Very low31.6Very low124 Ų124134.9 Ų134.966%0.66373%0.729SS**  trans63138.6151.3-91.72.2000125.8
878S31.8Very low31.9Very low88 Ų88137.9 Ų137.962%0.61574%0.735SS**  trans76.7107.1142.453.30000126.9
879N36.8Very low32.2Very low77 Ų77135.3 Ų135.341%0.41272%0.724SS.*  61.6162.7123.7-50.4106.3000123.6T889 T890N879-T889 VanDerWaalsContact CG-N 3.33Å; N879-T889 VanDerWaalsContact ND2-C 3.34Å; N879-T889 PolarHBondContact ND2-O 3.33Å; N879-T889 WeakPolarHBondContact OD1-CA 3.29Å; N879-T889 PolarHBondContact OD1-N 3.49Å; N879-T889 PolarHBondContact OD1-O 2.97Å; N879-T890 PolarHBondContact OD1-N 2.81Å
880D37.6Very low32.8Very low144 Ų144132.8 Ų132.877%0.7772%0.716SS**  cis-170.5171.5-41.1-99.4-53.5000112.4
881V42.3Very low33.2Very low126 Ų126129.8 Ų129.876%0.76470%0.704SS**  trans-145.3133-177.3179.50000116.9
882N46.3Very low33.5Very low146 Ų146132.4 Ų132.478%0.78171%0.705SS**  trans63.2123.5167.4-72.4-20.7000118.8
883T33.4Very low33.8Very low136 Ų136132 Ų13283%0.83471%0.706SS**SBend-140.812650.7-59.50000113.3
884R25.5Very low34Very low219 Ų219134.9 Ų134.983%0.82671%0.707SS**SBendtrans59.8108.6177.5-166.4-168.8-176172.73.3115.1
885T26.7Very low34.1Very low114 Ų114135.5 Ų135.570%0.69970%0.701SS**SBendtrans56.1123.6163.447.60000118.8
886E35.2Very low33.7Very low169 Ų169132 Ų13279%0.7969%0.694SS**  trans73.2131149.9-67.5-176.8120.600121.6
887I33.4Very low33.5Very low134 Ų134131.8 Ų131.869%0.68770%0.695SS**  trans79.3112.2134.5-66.8168.9000122
888Q34.9Very low33.8Very low157 Ų157129.6 Ų129.673%0.73469%0.687SS**  trans66142.2137.1-74.8-1732.300127
889T34.5Very low33.6Very low78 Ų78132.1 Ų132.148%0.47969%0.689SS.*  trans92.1144.2133.744.30000125.7N879N879-T889 VanDerWaalsContact CG-N 3.33Å; N879-T889 VanDerWaalsContact ND2-C 3.34Å; N879-T889 PolarHBondContact ND2-O 3.33Å; N879-T889 WeakPolarHBondContact OD1-CA 3.29Å; N879-T889 PolarHBondContact OD1-N 3.49Å; N879-T889 PolarHBondContact OD1-O 2.97Å
890T37Very low33.1Very low97 Ų97131.6 Ų131.660%0.59569%0.692SS**  trans75.2110.114338.50000124.4N879N879-T890 PolarHBondContact OD1-N 2.81Å
891T35.5Very low32.5Very low83 Ų83127.8 Ų127.851%0.50967%0.671SS.*  40.8156.211769.80000124.4
892Q34.1Very low31.8Very low165 Ų165127.4 Ų127.477%0.77166%0.661SS**  trans88.6128.7135.4-95.117677.400120.2
893S31.8Very low30.8Very low99 Ų99128.6 Ų128.669%0.69265%0.654SS**  trans70.2176.1142.683.50000115.7
894R31.1Very low30.4Very low209 Ų209127.5 Ų127.579%0.78965%0.651SS**  cis-142.3144.70.5-146145.5-173.5-147-0.5109.8
895L28.6Very low30.5Very low129 Ų129120.7 Ų120.768%0.67564%0.637SS**  trans19.1165.1138.8-53.6174000120.7
896H31.7Very low30.5Very low162 Ų162118.6 Ų118.675%0.7563%0.627SS**  trans72.4119.6166.9-76-75.8000114.4
897C29.3Very low30.1Very low112 Ų112113.5 Ų113.576%0.75761%0.61SS**  cis56.6144.516.2-105.50000114.1
898P31.5Very low30.2Very low77 Ų77115.8 Ų115.850%0.562%0.618SS.*  cis-137.9-144.922.821.37.8000111
899E28.2Very low30.1Very low141 Ų141113.2 Ų113.266%0.65962%0.615SS**  trans51.8146.6131.5-81.5138.3-120.800122.1
900S26.3Very low29.8Very low67 Ų67116.1 Ų116.147%0.46963%0.627SS.*  cis-175.3-175.5-16.648.50000110.1
901I26.2Very low29.5Very low64 Ų64118.6 Ų118.633%0.32864%0.636SS.*  trans63.2102.8136.4-79163.8000119.2T203 E205T203-I901 HydrophobicContact CG2-CG2 3.92Å; E205-I901 HydrophobicContact CG-CD1 3.83Å
902E25.9Very low29.2Very low117 Ų117119.8 Ų119.855%0.54764%0.643SS.*  84.2156.1122.5-71.1-163.6108.400125
903R26.6Very low29Very low172 Ų172118.8 Ų118.865%0.64964%0.643SS**  trans62.9118145.9-73.2159-158.1-179.714.9120.8
904C25.4Very low29Very low112 Ų112118.4 Ų118.476%0.75764%0.64SS**  28.8150.3112.3-53.10000121.2
905S26.3Very low29.1Very low77 Ų77112.7 Ų112.754%0.53863%0.632SS.*  trans75.598.7153.9-560000116
906S27.5Very low29.2Very low70 Ų70114.2 Ų114.249%0.4964%0.639SS.*  89.1148.177.969.10000114.4A199A199-S906 PolarHBondContact N-OG 3.42Å
907S26Very low29.2Very low62 Ų62110.9 Ų110.943%0.43463%0.634SS.*  trans67.2122.6-179.9240000116.6Q198Q198-S907 PolarHBondContact NE2-OG 3.03Å
908E36.1Very low29.3Very low182 Ų182110.2 Ų110.285%0.8563%0.631SS**  38.4147.1105.6-78.617716200119.3
909P33.1Very low29.3Very low103 Ų103111.6 Ų111.667%0.66964%0.642SS**  cis-142.7178.740.844.1-26.7000117.4
910D27.6Very low29.4Very low138 Ų138113.8 Ų113.874%0.73865%0.65SS**  trans46.2142.6143-58.3-24.7000120.7
911L30.1Very low29.6Very low149 Ų149116 Ų11678%0.7866%0.66SS**  -158.5140.451.2-83.7166.9000113.5
912V30.7Very low29.9Very low108 Ų108119.4 Ų119.466%0.65568%0.679SS**  trans77.6114.1131.7174.10000120.6
913N29.5Very low30.3Very low145 Ų145122.3 Ų122.378%0.77569%0.692SS**  trans73.5142.4147.1-67.80.1000120.4
914S32.1Very low31Very low90 Ų90119.2 Ų119.263%0.62970%0.695SS**  cis-151.5124.9-0.5-136.80000115.5
915S31.6Very low31Very low89 Ų89122.8 Ų122.862%0.62270%0.703SS**  54.2135.1126.767.90000122.9
916I31.6Very low31.2Very low161 Ų161130.4 Ų130.483%0.82672%0.721SS**  trans78.4128.5142.4-71.4162.7000117
917S31.7Very low31.1Very low93 Ų93130.6 Ų130.665%0.6574%0.735SS**  cis-164.8171.7-12.462.60000113.5
918S31.6Very low31.3Very low97 Ų97133.1 Ų133.168%0.67875%0.752SS**  trans62.896.7142.7-63.20000121
919S31.3Very low30.8Very low107 Ų107130.8 Ų130.875%0.74875%0.75SS**  76.9147.2108.382.80000119.2
920K31.3Very low30.4Very low187 Ų187132.1 Ų132.181%0.81375%0.751SS**  cis-163164.60.8-130.9177-177.81760109.8
921V30.2Very low30.4Very low112 Ų112131.3 Ų131.368%0.67976%0.757SS**  trans75.3113.8148.5168.70000119.6
922N31.7Very low30.3Very low136 Ų136130.9 Ų130.973%0.72776%0.755SS**  trans6997.4140.7-64.84.3000123.8
923Q34.9Very low30.2Very low178 Ų178131.5 Ų131.583%0.83276%0.764SS**  72.2152.6106.5-70.5-85.3-29.700120
924P39.8Very low30.2Very low108 Ų108130 Ų13070%0.70177%0.765SS**  trans-113.5162.5-155.541.4-32.4000115.5
925M25.9Very low30Very low187 Ų187136.6 Ų136.692%0.92178%0.776SS**  trans-146.3170.9146.3-138.3-173.1179.100111.4
926Y30.2Very low29.9Very low236 Ų236139.2 Ų139.293%0.92578%0.782SS**  trans-60.9139.2-176.9-85.4-115.6000112.4
927G26Very low29.9Very low75 Ų75134.6 Ų134.677%0.77377%0.774SS**  trans-160.492.7173.700000111.5
928S30.7Very low29.8Very low114 Ų114134.4 Ų134.480%0.79778%0.778SS**  trans-86.1123.3166.4-174.50000109
929V24.7Very low29.5Very low134 Ų134135.9 Ų135.981%0.81278%0.783SS**  trans-152.2126.7157-105.70000109.3
930D25.2Very low29.2Very low130 Ų130135.6 Ų135.670%0.69578%0.781SS**  trans-67.5153.8177.3-55.3-93.7000112.2N932D930-N932 PolarHBondContact O-ND2 2.68Å
931S27.5Very low28.9Very low121 Ų121132.3 Ų132.385%0.84678%0.777SS**  trans-126.292.9160.8-70.30000107.7
932N28.2Very low28.6Very low141 Ų141132.5 Ų132.575%0.75478%0.778SS**  65.4100.677-71.5-51.7000113.6D930D930-N932 PolarHBondContact O-ND2 2.68Å
933S28.9Very low28.3Very low121 Ų121136 Ų13685%0.84678%0.781SS**  trans-177.6141.1136.2360000109.6
934S29.8Very low27.9Very low112 Ų112137.4 Ų137.478%0.78378%0.779SS**  cis-153.5158.6-13.253.60000110.1
935W26.9Very low27.2Very low230 Ų230136.5 Ų136.587%0.87178%0.775SS**  trans-94.3149.4169.6-88.469.6000111.1
936I28.8Very low27.3Very low143 Ų143133.5 Ų133.573%0.73376%0.763SS**  trans26.2116.3150.1-59.8-175.4000118.2
937G31.7Very low27.1Very low65 Ų65128.9 Ų128.967%0.6775%0.75SS**  63.1103.4110.500000120
938A30Very low27.3Very low88 Ų88131.7 Ų131.773%0.72774%0.743SS**  trans53.7119.2133.200000121.5
939T26.2Very low27.3Very low129 Ų129132.4 Ų132.479%0.79173%0.733SS**  trans73.6119.7137.652.40000121.8
940S24.4Very low27.5Very low101 Ų101131.4 Ų131.471%0.70672%0.723SS**  trans79.1121136550000122.4
941T24.2Very low27.8Very low118 Ų118131.1 Ų131.172%0.72472%0.722SS**  trans74.5100.8136.750.30000122
942T25.1Very low28.1Very low115 Ų115131.6 Ų131.671%0.70672%0.715SS**  71.4118.6124.459.30000122.5
943R25.3Very low28.2Very low209 Ų209129.4 Ų129.479%0.78971%0.71SS**  69.5131.9126.6-73-178.6169.1-176.2-2.1120.5
944R26.3Very low28.3Very low209 Ų209130.1 Ų130.179%0.78970%0.704SS**  trans67.9118.2148-66.2176.7176.2-173.4-4.6115.1
945S25.5Very low28.3Very low89 Ų89130.5 Ų130.562%0.62270%0.697SS**  77.1148.450.784.90000113.8
946N27.6Very low28.5Very low123 Ų123125.3 Ų125.366%0.65869%0.687SS**  trans79140173-56.651.4000115.1
947E27.1Very low28.8Very low139 Ų139128.5 Ų128.565%0.6570%0.695SS**  cis-172.3167.8-13-120170.1155.500112.1
948H29.7Very low28.6Very low135 Ų135132.4 Ų132.463%0.62570%0.7SS**  trans69151148.9-75.636.8000119.1
949Q30.3Very low28.8Very low129 Ų129132.5 Ų132.560%0.60370%0.702SS**  cis-165.7156.7-18-118-176.412.400111.2
950N29.3Very low29.2Very low112 Ų112131.4 Ų131.460%0.59970%0.699SS**  trans63.6151.2146.5-57.4-9.6000121.4
951N31.3Very low29.6Very low124 Ų124135.4 Ų135.466%0.66371%0.707SS**  cis-167176.4-21.8-103.1-10.6000111.7
952D34.3Very low29.9Very low132 Ų132138.1 Ų138.171%0.70671%0.713SS**  trans95.986.7147.2-65.7-45.6000124.2
953C29.2Very low29.9Very low95 Ų95139 Ų13964%0.64271%0.714SS**  71.4106.6103.4-670000124.3
954N31.1Very low30.1Very low135 Ų135136.1 Ų136.172%0.72271%0.709SS**  93.8122.5113.5-70.4-26.2000125.7
955N30.3Very low30.3Very low121 Ų121131 Ų13165%0.64771%0.705SS**  87.396.9129.6-79.7-39.6000124.9
956N30.1Very low30.2Very low121 Ų121134 Ų13465%0.64771%0.713SS**  56.8120.1111.3-77.6-42.5000122.9
957K35Very low30.1Very low210 Ų210132 Ų13291%0.91371%0.709SS**  -168.7148.7112.7-100.8156.6-173.2173.40112.2
958N29.2Very low30Very low146 Ų146133.2 Ų133.278%0.78172%0.719SS**  trans-122159.7-163-59.1-19.3000114.1
959A33Very low29.9Very low91 Ų91134.1 Ų134.175%0.75273%0.729SS**  trans-152.2116.9156.100000111.4
960S35.1Very low29.7Very low106 Ų106132.6 Ų132.674%0.74173%0.732SS**SBendtrans33137.8159.259.30000122.1
961E32.8Very low29.6Very low185 Ų185137.6 Ų137.686%0.86474%0.743SS**  cis-166.6107.1-8-99168.7155.300102.8
962M29.7Very low29.4Very low174 Ų174137 Ų13786%0.85775%0.745SS**  67111.164.3-92.4-175.716600117.5
963D26.2Very low29.1Very low135 Ų135139.4 Ų139.472%0.72275%0.75SS**  trans36125.4149.2-60.7-60000122.7
964E29.9Very low29Very low148 Ų148144.3 Ų144.369%0.69276%0.76SS**  -141.499.2126.5-134.5-159151.600110.9L966 S967E964-L966 CarbonylContact C-O 3.53Å; E964-L966 VanDerWaalsContact C-O 3.32Å; E964-L966 WeakPolarHBondContact CB-O 3.49Å; E964-L966 WeakPolarHBondContact CG-O 3.12Å; E964-S967 VanDerWaalsContact OE1-CB 3.28Å; E964-S967 WeakPolarHBondContact OE1-CB 3.37Å; E964-S967 PolarHBondContact OE1-N 3.18Å; E964-S967 PolarHBondContact OE1-OG 3.13Å
965S28.8Very low28.8Very low100 Ų100143.1 Ų143.170%0.69976%0.763SS**  trans-84137.1148.4620000107.6
966L23.9Very low28.6Very low152 Ų152144 Ų14480%0.79677%0.772SS**  trans70.5153.1-150.1-41.8171.2000108.5E964E964-L966 CarbonylContact C-O 3.53Å; E964-L966 VanDerWaalsContact C-O 3.32Å; E964-L966 WeakPolarHBondContact CB-O 3.49Å; E964-L966 WeakPolarHBondContact CG-O 3.12Å
967S25.8Very low28.5Very low81 Ų81143.5 Ų143.557%0.56678%0.778SS**  cis-135.4155.527.9-690000115.5E964 N969E964-S967 VanDerWaalsContact OE1-CB 3.28Å; E964-S967 WeakPolarHBondContact OE1-CB 3.37Å; E964-S967 PolarHBondContact OE1-N 3.18Å; E964-S967 PolarHBondContact OE1-OG 3.13Å; S967-N969 PolarHBondContact O-N 3.06Å
968L25.8Very low28.3Very low165 Ų165143 Ų14386%0.86478%0.776SS**  trans-65.4118.3167-74.2156.8000110.4
969N26.8Very low28.3Very low154 Ų154140.8 Ų140.882%0.82477%0.772SS**  trans-141.867.6160.8-118.8-51.8000113.7S967 R971S967-N969 PolarHBondContact O-N 3.06Å; N969-R971 PolarHBondContact O-N 3.34Å
970S26.7Very low28.2Very low98 Ų98139.9 Ų139.969%0.68577%0.772SS**  trans-55.5120.5169.454.90000112.2P972S970-P972 WeakPolarHBondContact O-CD 3.45Å
971R26.6Very low28Very low217 Ų217142.4 Ų142.482%0.81978%0.777SS**  trans-108.475.8161.9-91.6-173.4163.8-171.7-3.2111.6N969 K973N969-R971 PolarHBondContact O-N 3.34Å; R971-K973 PolarHBondContact O-N 3.25Å
972P26.8Very low27.8Very low110 Ų110139 Ų13971%0.71476%0.763SS**  trans-72.791.7176.231.5-34.3000110S970 K974S970-P972 WeakPolarHBondContact O-CD 3.45Å; P972-K974 PolarHBondContact O-N 3.29Å
973K27.8Very low27.9Very low184 Ų184141.3 Ų141.380%0.876%0.763SS**  trans-74.875.2179.1-80.1-171.4174.8179.80112.6R971R971-K973 PolarHBondContact O-N 3.25Å
974K26.7Very low28Very low197 Ų197143.1 Ų143.186%0.85777%0.771SS**  trans64.266.8151.5-55.9-178178.4-177.40117.3P972P972-K974 PolarHBondContact O-N 3.29Å
975S26.9Very low28.1Very low111 Ų111144 Ų14478%0.77678%0.78SS**  trans-89.7117.9141.352.40000108.6S977S975-S977 PolarHBondContact O-N 3.36Å; S975-S977 VanDerWaalsContact O-N 3.14Å
976V27.7Very low28Very low140 Ų140146.9 Ų146.985%0.84878%0.782SS**  trans-78.199.7-179.3-179.90000109.6
977S27.6Very low28.5Very low109 Ų109148 Ų14876%0.76279%0.788SS**  trans-82.7105.9165.751.90000109.3S975S975-S977 PolarHBondContact O-N 3.36Å; S975-S977 VanDerWaalsContact O-N 3.14Å
978F30.7Very low28.6Very low199 Ų199150 Ų15087%0.87379%0.793SS**  trans-77.9125.7168.3-165.9-92.4000108.9
979S29.2Very low29Very low100 Ų100148 Ų14870%0.69979%0.793SS**  trans-83.4148.4-174.443.10000112.5
980G31.6Very low29.3Very low73 Ų73150.2 Ų150.275%0.75380%0.795SS**  trans-162.486.9178.500000111.2
981N29.7Very low29.5Very low159 Ų159152.9 Ų152.985%0.8580%0.802SS**  trans-78.7123.9-177.8-70.9-12.8000111.7
982I29.1Very low29.9Very low112 Ų112148.2 Ų148.257%0.57480%0.802SS**  trans-133.395.8153.7-52.5-177000110.8H225H225-I982 VanDerWaalsContact NE2-CD1 3.34Å; H225-I982 WeakPolarHBondContact NE2-CD1 3.35Å
983R31.4Very low30.1Very low223 Ų223150.8 Ų150.884%0.84280%0.804SS**  trans28114.7143.9-59.5177.1-179167.90.2118.4
984L28.9Very low30.4Very low173 Ų173150 Ų15091%0.90680%0.803SS**  trans-58.4138.7150.3-125.474.5000109.4
985L31.2Very low30.6Very low166 Ų166147.2 Ų147.287%0.86979%0.793SS**  trans-100.7124.7163.8-78.6174.8000109.3
986Q27.9Very low30.8Very low161 Ų161151.7 Ų151.775%0.75279%0.794SS**  trans-99.4101.4-169.5-178.2175.9-9.100109.8N988Q986-N988 PolarHBondContact O-N 2.88Å
987L34Very low31Very low175 Ų175149.9 Ų149.992%0.91679%0.788SS**  trans-86.7104.2169.6-74.4175.3000109.2
988N28.3Very low31.1Very low124 Ų124151.9 Ų151.966%0.66379%0.79SS**  trans-66.3139.6173.8-71.5-29.3000110.8Q986Q986-N988 PolarHBondContact O-N 2.88Å
989S33.2Very low31.2Very low123 Ų123149.1 Ų149.186%0.8679%0.789SS**  trans-133.8124.9145.1-72.60000106.3
990K34Very low31.4Very low201 Ų201149.4 Ų149.487%0.87479%0.791SS**  trans-101.6142.2173.7-85.7-171.1171.2-1730108.7
991D30.7Very low31.3Very low154 Ų154151.7 Ų151.782%0.82479%0.791SS**  trans-68.3151.8177.6-43.6-93000112.2
992S35.4Very low31.4Very low119 Ų119151.6 Ų151.683%0.83279%0.785SS**  trans-158.8142136.2400000110.2
993H30.2Very low31.6Very low164 Ų164154.2 Ų154.276%0.75980%0.795SS**  trans-75.3159.3173.3-67.5-105.7000110.6
994H33.3Very low31.4Very low167 Ų167149 Ų14977%0.77379%0.793SS**  -179145.4106.8-91.7-54000115.7
995H32.1Very low31.9Very low138 Ų138146.6 Ų146.664%0.63979%0.788SS**  trans52.8103.2143.1-72.2-63000123.5
996Y30.4Very low31.9Very low205 Ų205144.9 Ų144.980%0.80478%0.775SS**  91.4150.1107.8-97.6-134.2000123
997S32.9Very low32Very low103 Ų103143.6 Ų143.672%0.7278%0.781SS**  trans80.8107152.4-61.30000119.8
998D28.7Very low32Very low150 Ų150142 Ų14280%0.80277%0.766SS**  trans-56156.8158-49-95.8000113.2
999T33.3Very low32.4Very low141 Ų141142.5 Ų142.587%0.86577%0.774SS**  -178.9169.1116.225.60000112.1
1000S33.4Very low32.4Very low106 Ų106143.4 Ų143.474%0.74177%0.767SS**  trans6787164.2-165.40000118.6
1001T30.1Very low32.4Very low121 Ų121137.1 Ų137.174%0.74275%0.747SS**  trans-10.3139.7133.354.20000117.4
1002Q31.1Very low32.7Very low157 Ų157142 Ų14273%0.73475%0.754SS**  -177.1146.2115.8-85.8-112.2100112.8
1003Q33.3Very low32.8Very low167 Ų167143 Ų14378%0.7875%0.75SS**  trans55.9119.4155-67.3176.417.300122
1004S27.5Very low32.9Very low115 Ų115145.7 Ų145.780%0.80475%0.754SS**PPolyproline II helixtrans-78.8134.8161.8176.70000111.2
1005P38.3Very low32.8Very low121 Ų121140.8 Ų140.879%0.78675%0.748SS**PPolyproline II helixtrans-77.7133.6172.5-14.930.7000113.1
1006E31.6Very low32.7Very low130 Ų130142.1 Ų142.161%0.60776%0.759SS**PPolyproline II helixtrans-63.6156.3174.6-81.8-172.3102.500114.2K1008E1006-K1008 VanDerWaalsContact C-N 3.27Å; E1006-K1008 HydrophobicContact CB-CD 4.3Å; E1006-K1008 HydrophobicContact CB-CG 4.35Å; E1006-K1008 PolarHBondContact O-N 3.09Å; E1006-K1008 WeakPolarHBondContact OE1-CE 3.38Å; E1006-K1008 IonicContact OE1-NZ 3.55Å; E1006-K1008 PolarHBondContact OE1-NZ 2.84Å; E1006-K1008 WeakPolarHBondContact OE2-CE 3.3Å; E1006-K1008 IonicContact OE2-NZ 2.68Å; E1006-K1008 PolarHBondContact OE2-NZ 3.43Å
1007P31Very low32.8Very low134 Ų134143.6 Ų143.687%0.8777%0.765SS**SBendtrans-74.872.5172.933.6-36.9000111.9
1008K32.9Very low32.7Very low141 Ų141142.5 Ų142.561%0.61377%0.77SS**  trans-128.2154.7178.7-70.7175.6-174.8162.70111.8E1006E1006-K1008 VanDerWaalsContact C-N 3.27Å; E1006-K1008 HydrophobicContact CB-CD 4.3Å; E1006-K1008 HydrophobicContact CB-CG 4.35Å; E1006-K1008 PolarHBondContact O-N 3.09Å; E1006-K1008 WeakPolarHBondContact OE1-CE 3.38Å; E1006-K1008 IonicContact OE1-NZ 3.55Å; E1006-K1008 PolarHBondContact OE1-NZ 2.84Å; E1006-K1008 WeakPolarHBondContact OE2-CE 3.3Å; E1006-K1008 IonicContact OE2-NZ 2.68Å; E1006-K1008 PolarHBondContact OE2-NZ 3.43Å
1009V36.3Very low32.9Very low135 Ų135144.1 Ų144.182%0.81877%0.773SS**  trans68.275.6-172.5-163.70000114.2P1011V1009-P1011 WeakPolarHBondContact O-CD 3.42Å
1010I34.1Very low32.9Very low142 Ų142145.9 Ų145.973%0.72877%0.771SS**  trans-58125.6150.9-61.7171.3000107.4R1012I1010-R1012 PolarHBondContact O-N 3.13Å
1011P33.8Very low33Very low69 Ų69149.8 Ų149.845%0.44878%0.777SS.*  trans-60.8125175.2-22.433.5000110.1V1009 N1013 W1014V1009-P1011 WeakPolarHBondContact O-CD 3.42Å; P1011-N1013 WeakPolarHBondContact CB-OD1 3.27Å; P1011-N1013 PolarHBondContact O-N 3.47Å; P1011-W1014 PolarHBondContact O-N 3.26Å
1012R36.3Very low33.2Very low256 Ų256149.3 Ų149.397%0.96678%0.777SS**THydrogen-bonded Turntrans-64.811.1-176.8-75.9179166.7153.3-4.5114.7I1010I1010-R1012 PolarHBondContact O-N 3.13Å
1013N38.7Very low33.4Very low140 Ų140147.2 Ų147.275%0.74977%0.77SS**THydrogen-bonded Turntrans-85-25.3177.1-42.347.9000111.9P1011 G1015P1011-N1013 WeakPolarHBondContact CB-OD1 3.27Å; P1011-N1013 PolarHBondContact O-N 3.47Å; N1013-G1015 PolarHBondContact O-N 2.92Å
1014W32Very low33.5Very low222 Ų222143.4 Ų143.484%0.84177%0.767SS**  trans-80.240.5-176.4-69.874.3000112.6P1011P1011-W1014 PolarHBondContact O-N 3.26Å
1015G30.6Very low33.8Very low63 Ų63146.5 Ų146.565%0.64977%0.768SS**  trans-104.396.3-172.800000113.3N1013 Y1017N1013-G1015 PolarHBondContact O-N 2.92Å; G1015-Y1017 PolarHBondContact O-N 2.87Å
1016L30.7Very low33.3Very low166 Ų166149.3 Ų149.387%0.86977%0.769SS**  trans-2.397.2157.4-68.1161.6000116.9
1017Y32.7Very low33.5Very low237 Ų237147 Ų14793%0.92976%0.76SS**  trans-156.9148.1135-97.2-68.3000108.7G1015 Q1019G1015-Y1017 PolarHBondContact O-N 2.87Å; Y1017-Q1019 PolarHBondContact O-N 3.45Å
1018G30.4Very low33.8Very low80 Ų80145.7 Ų145.783%0.82575%0.752SS**  trans-74.8119.5-155.200000116.5
1019Q33.9Very low33.8Very low184 Ų184150 Ų15086%0.8676%0.764SS**  trans-146.8164.6149.4-154.5153.4-5.700108.6Y1017 Q1021Y1017-Q1019 PolarHBondContact O-N 3.45Å; Q1019-Q1021 PolarHBondContact O-N 3.13Å
1020E32.3Very low33.6Very low178 Ų178148.2 Ų148.283%0.83276%0.757SS**PPolyproline II helixtrans-53.2130.2-164.4-63.9166.413000113.9P1022E1020-P1022 VanDerWaalsContact O-CD 3.25Å; E1020-P1022 WeakPolarHBondContact O-CD 3.17Å
1021Q34.7Very low33.5Very low187 Ų187145.4 Ų145.487%0.87475%0.75SS**PPolyproline II helixtrans-71.9117.1159.2-96.5-172.6-4500108Q1019 L1023Q1019-Q1021 PolarHBondContact O-N 3.13Å; Q1021-L1023 PolarHBondContact O-N 2.87Å; Q1021-L1023 VanDerWaalsContact O-N 3.12Å
1022P34.1Very low33.5Very low112 Ų112148.3 Ų148.373%0.72777%0.769SS**PPolyproline II helixtrans-64.6116.1163.527.9-31.7000107.4E1020 A1024E1020-P1022 VanDerWaalsContact O-CD 3.25Å; E1020-P1022 WeakPolarHBondContact O-CD 3.17Å; P1022-A1024 PolarHBondContact O-N 3.05Å
1023L35.4Very low33.2Very low112 Ų112141.1 Ų141.159%0.58676%0.758SS**PPolyproline II helixtrans-51.8132.4169-82.1159.8000108.5Q298 Q1021 E1025Q298-L1023 HydrophobicContact CB-CB 4.07Å; Q298-L1023 HydrophobicContact CB-CD1 3.74Å; Q298-L1023 VanDerWaalsContact CD-CB 3.43Å; Q298-L1023 HydrophobicContact CG-CB 4.14Å; Q298-L1023 PolarHBondContact NE2-O 3.49Å; Q1021-L1023 PolarHBondContact O-N 2.87Å; Q1021-L1023 VanDerWaalsContact O-N 3.12Å; L1023-E1025 PolarHBondContact O-N 2.92Å; L1023-E1025 VanDerWaalsContact O-N 3.14Å
1024A36.8Very low32.9Very low87 Ų87141.9 Ų141.972%0.71976%0.761SS**PPolyproline II helixtrans-49122.7-17300000110.6Q298 P1022 F1026Q298-A1024 PolarHBondContact NE2-O 3.13Å; P1022-A1024 PolarHBondContact O-N 3.05Å; A1024-F1026 PolarHBondContact O-N 3.16Å; A1024-F1026 VanDerWaalsContact O-N 3.11Å
1025E32.4Very low32.9Very low180 Ų180139 Ų13984%0.84176%0.763SS**PPolyproline II helixtrans-60.6117.8178.5-175.1173.2-170.700108.3L1023 N1027L1023-E1025 PolarHBondContact O-N 2.92Å; L1023-E1025 VanDerWaalsContact O-N 3.14Å; E1025-N1027 PolarHBondContact O-N 3.43Å
1026F29.2Very low33.2Very low180 Ų180140.9 Ų140.979%0.78977%0.766SS**  trans-76.271.6-174-161.6-84.8000109.6A1024 P1028A1024-F1026 PolarHBondContact O-N 3.16Å; A1024-F1026 VanDerWaalsContact O-N 3.11Å; F1026-P1028 WeakPolarHBondContact O-CD 3.4Å; F1026-P1028 VanDerWaalsContact O-N 3.12Å
1027N34.9Very low33.3Very low81 Ų81142 Ų14243%0.43377%0.766SS.*  trans-62.4109.2179.9-178.1-10.7000109.2E1025 R1029 C1030E1025-N1027 PolarHBondContact O-N 3.43Å; N1027-R1029 PolarHBondContact O-N 3.02Å; N1027-R1029 WeakPolarHBondContact OD1-CB 2.88Å; N1027-R1029 PolarHBondContact OD1-N 3.2Å; N1027-R1029 VanDerWaalsContact OD1-N 3.12Å; N1027-C1030 PolarHBondContact ND2-SG 3.45Å; N1027-C1030 PolarHBondContact O-N 2.94Å; N1027-C1030 VanDerWaalsContact O-N 3.14Å
1028P37.7Very low33.7Very low108 Ų108140.7 Ų140.770%0.70177%0.765SS**THydrogen-bonded Turntrans-68.5-3.6-172.8-19.234.1000113.7F1026F1026-P1028 WeakPolarHBondContact O-CD 3.4Å; F1026-P1028 VanDerWaalsContact O-N 3.12Å
1029R33.4Very low33.9Very low230 Ų230141 Ų14187%0.86875%0.748SS**THydrogen-bonded Turntrans-99.60.7-179.8-55.5-175.3176.6-164.1-1.4113.8N1027N1027-R1029 PolarHBondContact O-N 3.02Å; N1027-R1029 WeakPolarHBondContact OD1-CB 2.88Å; N1027-R1029 PolarHBondContact OD1-N 3.2Å; N1027-R1029 VanDerWaalsContact OD1-N 3.12Å
1030C31.2Very low34Very low98 Ų98135.7 Ų135.766%0.66274%0.743SS**  trans-110.917.4179.9-64.90000114.1N1027N1027-C1030 PolarHBondContact ND2-SG 3.45Å; N1027-C1030 PolarHBondContact O-N 2.94Å; N1027-C1030 VanDerWaalsContact O-N 3.14Å
1031S31.6Very low34.5Very low84 Ų84135.8 Ų135.859%0.58774%0.74SS**SBendtrans-58.7140.8158.6-60.10000109.4S1033S1031-S1033 PolarHBondContact O-N 3.19Å
1032P34.4Very low34.8Very low130 Ų130130 Ų13084%0.84472%0.72SS**PPolyproline II helixtrans-59.5137.4-17723.7-33.6000111.5
1033S30.4Very low35.1Very low104 Ų104129 Ų12973%0.72771%0.712SS**PPolyproline II helixtrans-62.3148.7-173.6-171.80000113S1031 D1035S1031-S1033 PolarHBondContact O-N 3.19Å; S1033-D1035 PolarHBondContact O-N 2.84Å
1034L32.9Very low36Very low157 Ų157129.7 Ų129.782%0.82271%0.712SS**SBendtrans-5.3107.7157.6-67.2150.3000116.1
1035D31.7Very low36.9Very low162 Ų162130 Ų13087%0.86670%0.699SS**  trans-171.765.3144.3-103.6-23.9000111.6S1033S1033-D1035 PolarHBondContact O-N 2.84Å
1036S35.9Very low38.7Very low102 Ų102124.2 Ų124.271%0.71368%0.678SS**  trans-161.151.4175.3-89.60000114.9K1038S1036-K1038 PolarHBondContact O-N 3.42Å
1037E34Very low41Very low189 Ų189121.2 Ų121.288%0.88367%0.67SS**THydrogen-bonded Turntrans-68.371169.6-67-158.6123.300113
1038K39.6Very low43.2Very low209 Ų209118.9 Ų118.991%0.90966%0.658SS**THydrogen-bonded Turntrans-164.9-11.7167.5-104.4128.9-163.41570115.8S1036S1036-K1038 PolarHBondContact O-N 3.42Å
1039N35.6Very low45.4Very low87 Ų87115.2 Ų115.247%0.46563%0.632SS.*  trans-109.426.6-155.6-150.727.3000117.1K1041 S1042N1039-K1041 PolarHBondContact O-N 2.89Å; N1039-S1042 PolarHBondContact O-N 2.65Å; N1039-S1042 PolarHBondContact O-OG 2.67Å
1040G36.4Very low48Very low72 Ų72109.1 Ų109.174%0.74262%0.62SS**THydrogen-bonded Turntrans-66.524.6-18000000116.9
1041K41.8Very low50.8Low180 Ų180110.1 Ų110.178%0.78361%0.61SS**THydrogen-bonded Turntrans-114.2-17.1178.5-69.7-178.1178.4177.80113.9N1039N1039-K1041 PolarHBondContact O-N 2.89Å
1042S41Very low53.7Low65 Ų65106.4 Ų106.446%0.45558%0.583SS.*SBendtrans-72.9-46.7-17650.60000113N1039 H1044 H1045N1039-S1042 PolarHBondContact O-N 2.65Å; N1039-S1042 PolarHBondContact O-OG 2.67Å; S1042-H1044 VanDerWaalsContact C-N 3.27Å; S1042-H1044 PolarHBondContact O-N 2.98Å; S1042-H1045 WeakPolarHBondContact O-CB 3.35Å; S1042-H1045 PolarHBondContact O-N 2.98Å
1043T41.4Very low56.5Low92 Ų92104.3 Ų104.356%0.56456%0.562SS**Hα-helixtrans-59.4-35-179.348.40000113.1H1045 S1046T1043-H1045 PolarHBondContact O-N 3.09Å; T1043-S1046 PolarHBondContact O-OG 3.26Å
1044H53.2Low59.4Low126 Ų126101.8 Ų101.858%0.58355%0.547SS*.Hα-helixtrans-72.7-15.5179.7-153.6-40.4000112.9S1042 I1048S1042-H1044 VanDerWaalsContact C-N 3.27Å; S1042-H1044 PolarHBondContact O-N 2.98Å; H1044-I1048 VanDerWaalsContact O-CD1 3.31Å; H1044-I1048 WeakPolarHBondContact O-CD1 3.49Å; H1044-I1048 VanDerWaalsContact O-CG1 3.29Å; H1044-I1048 WeakPolarHBondContact O-CG1 3.44Å
1045H57.1Low62.3Low95 Ų9595.3 Ų95.344%0.4451%0.513SS..Hα-helixtrans-78.2-49.2175.3-155.7-59.7000110.7S1042 T1043 D1047 I1048 D1049S1042-H1045 WeakPolarHBondContact O-CB 3.35Å; S1042-H1045 PolarHBondContact O-N 2.98Å; T1043-H1045 PolarHBondContact O-N 3.09Å; H1045-D1047 VanDerWaalsContact C-N 3.35Å; H1045-D1047 PolarHBondContact O-N 2.99Å; H1045-I1048 WeakPolarHBondContact O-CB 3.46Å; H1045-I1048 PolarHBondContact O-N 3.39Å; H1045-I1048 VanDerWaalsContact O-N 3.08Å; H1045-D1049 IonicContact CE1-OD1 2.74Å; H1045-D1049 PolarHBondContact CE1-OD1 2.93Å; H1045-D1049 IonicContact CE1-OD2 3.19Å; H1045-D1049 PolarHBondContact CE1-OD2 3.49Å; H1045-D1049 IonicContact CG-OD2 2.7Å; H1045-D1049 VanDerWaalsContact ND1-CG 3.32Å; H1045-D1049 IonicContact ND1-OD1 2.76Å; H1045-D1049 PolarHBondContact ND1-OD1 3.31Å; H1045-D1049 IonicContact ND1-OD2 3.53Å; H1045-D1049 PolarHBondContact ND1-OD2 2.86Å; H1045-D1049 VanDerWaalsContact O-CG 3.23Å; H1045-D1049 PolarHBondContact O-N 3.43Å; H1045-D1049 VanDerWaalsContact O-OD2 3.1Å
1046S70Confident65.2Low57 Ų5787.6 Ų87.640%0.39947%0.472SS..Hα-helixtrans-59.4-40-177.946.50000113.6T1043 I1048 D1049 V1050T1043-S1046 PolarHBondContact O-OG 3.26Å; S1046-I1048 VanDerWaalsContact C-N 3.29Å; S1046-I1048 PolarHBondContact O-N 3.22Å; S1046-D1049 PolarHBondContact O-N 2.86Å; S1046-V1050 WeakPolarHBondContact O-CB 3.22Å; S1046-V1050 VanDerWaalsContact O-CG2 3.31Å; S1046-V1050 WeakPolarHBondContact O-CG2 3.17Å; S1046-V1050 PolarHBondContact O-N 2.83Å
1047D77.6Confident68Low118 Ų11887 Ų8763%0.63146%0.461SS*.Hα-helixtrans-65.8-33.7178.6-71.34.1000112.2H1045 R1051H1045-D1047 VanDerWaalsContact C-N 3.35Å; H1045-D1047 PolarHBondContact O-N 2.99Å; D1047-R1051 WeakPolarHBondContact O-CB 2.97Å; D1047-R1051 PolarHBondContact O-N 2.86Å
1048I80.3Confident70.8Confident32 Ų3282.4 Ų82.416%0.16444%0.442CS..Hα-helixtrans-72-44.2176.4-71176.9000110.1H1044 H1045 S1046 R1051 Y1052H1044-I1048 VanDerWaalsContact O-CD1 3.31Å; H1044-I1048 WeakPolarHBondContact O-CD1 3.49Å; H1044-I1048 VanDerWaalsContact O-CG1 3.29Å; H1044-I1048 WeakPolarHBondContact O-CG1 3.44Å; H1045-I1048 WeakPolarHBondContact O-CB 3.46Å; H1045-I1048 PolarHBondContact O-N 3.39Å; H1045-I1048 VanDerWaalsContact O-N 3.08Å; S1046-I1048 VanDerWaalsContact C-N 3.29Å; S1046-I1048 PolarHBondContact O-N 3.22Å; I1048-R1051 WeakPolarHBondContact O-CB 3.47Å; I1048-R1051 PolarHBondContact O-N 3.45Å; I1048-Y1052 HydrophobicContact CG2-CD2 3.72Å; I1048-Y1052 HydrophobicContact CG2-CE2 3.32Å; I1048-Y1052 VanDerWaalsContact O-CD2 3.25Å; I1048-Y1052 WeakPolarHBondContact O-CD2 3.45Å; I1048-Y1052 PolarHBondContact O-N 3.02Å
1049D83.3Confident73.3Confident31 Ų3172.5 Ų72.517%0.16640%0.399CS..Hα-helixtrans-63.3-48.4178.9-57.5-36000111.2H1045 S1046 R1051 Y1052 H1053 Q1227H1045-D1049 IonicContact CE1-OD1 2.74Å; H1045-D1049 PolarHBondContact CE1-OD1 2.93Å; H1045-D1049 IonicContact CE1-OD2 3.19Å; H1045-D1049 PolarHBondContact CE1-OD2 3.49Å; H1045-D1049 IonicContact CG-OD2 2.7Å; H1045-D1049 VanDerWaalsContact ND1-CG 3.32Å; H1045-D1049 IonicContact ND1-OD1 2.76Å; H1045-D1049 PolarHBondContact ND1-OD1 3.31Å; H1045-D1049 IonicContact ND1-OD2 3.53Å; H1045-D1049 PolarHBondContact ND1-OD2 2.86Å; H1045-D1049 VanDerWaalsContact O-CG 3.23Å; H1045-D1049 PolarHBondContact O-N 3.43Å; H1045-D1049 VanDerWaalsContact O-OD2 3.1Å; S1046-D1049 PolarHBondContact O-N 2.86Å; D1049-R1051 PolarHBondContact O-N 3.03Å; D1049-Y1052 CarbonylContact O-C 3.55Å; D1049-Y1052 WeakPolarHBondContact O-CA 3.41Å; D1049-Y1052 PolarHBondContact O-N 3.15Å; D1049-H1053 PolarHBondContact O-CD2 3.48Å; D1049-H1053 PolarHBondContact O-N 3.14Å; D1049-Q1227 PolarHBondContact OD1-NE2 2.88Å
1050V88.5Confident76.1Confident102 Ų10269 Ų6962%0.61838%0.38SS*.Hα-helixtrans-56.8-40.1176.31690000111.3S1046 H1053 A1054S1046-V1050 WeakPolarHBondContact O-CB 3.22Å; S1046-V1050 VanDerWaalsContact O-CG2 3.31Å; S1046-V1050 WeakPolarHBondContact O-CG2 3.17Å; S1046-V1050 PolarHBondContact O-N 2.83Å; V1050-H1053 PolarHBondContact O-N 2.83Å; V1050-A1054 PolarHBondContact O-N 2.92Å
1051R90.2Very high78.7Confident119 Ų11971.1 Ų71.145%0.44937%0.369SS..Hα-helixtrans-64.7-37.2175-178.4176.6174.5-104.2-10.2112.4D1047 I1048 D1049 M1055 D1123D1047-R1051 WeakPolarHBondContact O-CB 2.97Å; D1047-R1051 PolarHBondContact O-N 2.86Å; I1048-R1051 WeakPolarHBondContact O-CB 3.47Å; I1048-R1051 PolarHBondContact O-N 3.45Å; D1049-R1051 PolarHBondContact O-N 3.03Å; R1051-M1055 HydrophobicContact CG-CE 4.17Å; R1051-M1055 WeakPolarHBondContact O-CG 3.49Å; R1051-M1055 PolarHBondContact O-N 3.35Å; R1051-M1055 VanDerWaalsContact O-N 3.14Å; R1051-D1123 IonicContact CZ-OD1 2.65Å; R1051-D1123 IonicContact NH1-OD1 3.52Å; R1051-D1123 PolarHBondContact NH1-OD1 2.83Å; R1051-D1123 IonicContact NH1-OD2 3.07Å; R1051-D1123 IonicContact NH2-OD1 2.68Å; R1051-D1123 PolarHBondContact NH2-OD1 3.2Å
1052Y93.1Very high81.1Confident6 Ų662.9 Ų62.92%0.02434%0.335CS..Hα-helixtrans-74.6-39.2175.7-69.3-47.3000113.2I1048 D1049 A1054 M1055 V1056 D1123 N1217 F1219 Q1227 L1230I1048-Y1052 HydrophobicContact CG2-CD2 3.72Å; I1048-Y1052 HydrophobicContact CG2-CE2 3.32Å; I1048-Y1052 VanDerWaalsContact O-CD2 3.25Å; I1048-Y1052 WeakPolarHBondContact O-CD2 3.45Å; I1048-Y1052 PolarHBondContact O-N 3.02Å; D1049-Y1052 CarbonylContact O-C 3.55Å; D1049-Y1052 WeakPolarHBondContact O-CA 3.41Å; D1049-Y1052 PolarHBondContact O-N 3.15Å; Y1052-A1054 VanDerWaalsContact C-N 3.27Å; Y1052-A1054 PolarHBondContact O-N 3.26Å; Y1052-M1055 HydrophobicContact CD1-CE 3.41Å; Y1052-M1055 VanDerWaalsContact CD1-CE 3.41Å; Y1052-M1055 HydrophobicContact CE1-CE 3.45Å; Y1052-M1055 VanDerWaalsContact CE1-CE 3.45Å; Y1052-M1055 PolarHBondContact O-N 2.97Å; Y1052-V1056 WeakPolarHBondContact O-CB 3.42Å; Y1052-V1056 WeakPolarHBondContact O-CG2 3.48Å; Y1052-V1056 PolarHBondContact O-N 3.43Å; Y1052-D1123 WeakPolarHBondContact CE1-OD2 3.39Å; Y1052-D1123 VanDerWaalsContact CZ-OD2 3.3Å; Y1052-D1123 PolarHBondContact OH-OD2 2.9Å; Y1052-N1217 PolarHBondContact OH-O 3.47Å; Y1052-F1219 HydrophobicContact CD1-CB 3.77Å; Y1052-F1219 AromaticContact CD1-CD2 3.61Å; Y1052-F1219 HydrophobicContact CD1-CD2 3.61Å; Y1052-F1219 HydrophobicContact CD1-CG 4.02Å; Y1052-F1219 HydrophobicContact CD2-CD2 4.32Å; Y1052-F1219 HydrophobicContact CE1-CB 3.52Å; Y1052-F1219 HydrophobicContact CE1-CD2 4.24Å; Y1052-F1219 HydrophobicContact CE1-CG 4.29Å; Y1052-F1219 AromaticContact CG-CD2 3.72Å; Y1052-F1219 HydrophobicContact CG-CD2 3.72Å; Y1052-F1219 PolarHBondContact OH-N 2.99Å; Y1052-Q1227 HydrophobicContact CD2-CG 4.46Å; Y1052-L1230 VanDerWaalsContact C-CD1 3.47Å
1053H91.4Very high83.5Confident85 Ų8559.8 Ų59.839%0.39431%0.313SS..Hα-helixtrans-56.1-43.7170.7-75.7-74.6000110.8D1049 V1050 N1057 L1230D1049-H1053 PolarHBondContact O-CD2 3.48Å; D1049-H1053 PolarHBondContact O-N 3.14Å; V1050-H1053 PolarHBondContact O-N 2.83Å; H1053-N1057 WeakPolarHBondContact O-CB 3.5Å; H1053-N1057 PolarHBondContact O-N 2.71Å; H1053-N1057 PolarHBondContact O-ND2 3.28Å; H1053-L1230 HydrophobicContact CB-CD1 4.42Å; H1053-L1230 WeakPolarHBondContact ND1-CD2 3.49Å
1054A93Very high85.9Confident51 Ų5160 Ų6042%0.42131%0.307SS..Hα-helixtrans-60.8-52.1175.800000112.8V1050 Y1052 V1056 N1057 D1058V1050-A1054 PolarHBondContact O-N 2.92Å; Y1052-A1054 VanDerWaalsContact C-N 3.27Å; Y1052-A1054 PolarHBondContact O-N 3.26Å; A1054-V1056 PolarHBondContact O-N 3.02Å; A1054-N1057 PolarHBondContact O-N 2.9Å; A1054-D1058 PolarHBondContact O-N 3.14Å
1055M92.9Very high87.5Confident22 Ų2258.1 Ų58.111%0.10830%0.299CS..Hα-helixtrans-69-30.8-176.9-66-172.2-54.800113.4R1051 Y1052 V1059 I1119 L1120 D1123R1051-M1055 HydrophobicContact CG-CE 4.17Å; R1051-M1055 WeakPolarHBondContact O-CG 3.49Å; R1051-M1055 PolarHBondContact O-N 3.35Å; R1051-M1055 VanDerWaalsContact O-N 3.14Å; Y1052-M1055 HydrophobicContact CD1-CE 3.41Å; Y1052-M1055 VanDerWaalsContact CD1-CE 3.41Å; Y1052-M1055 HydrophobicContact CE1-CE 3.45Å; Y1052-M1055 VanDerWaalsContact CE1-CE 3.45Å; Y1052-M1055 PolarHBondContact O-N 2.97Å; M1055-V1059 PolarHBondContact O-N 3.36Å; M1055-I1119 HydrophobicContact SD-CG2 4.26Å; M1055-L1120 HydrophobicContact CB-CD1 3.93Å; M1055-L1120 HydrophobicContact CE-CD1 4.4Å; M1055-D1123 HydrophobicContact CE-CB 4.35Å
1056V93.7Very high88.9Confident0 Ų053.6 Ų53.60%028%0.278CS..Hα-helixtrans-73-41172.3174.10000110.7Y1052 A1054 D1058 V1059 I1060 L1120 F1219 L1230 L1234Y1052-V1056 WeakPolarHBondContact O-CB 3.42Å; Y1052-V1056 WeakPolarHBondContact O-CG2 3.48Å; Y1052-V1056 PolarHBondContact O-N 3.43Å; A1054-V1056 PolarHBondContact O-N 3.02Å; V1056-D1058 VanDerWaalsContact C-N 3.29Å; V1056-D1058 PolarHBondContact O-N 3.36Å; V1056-V1059 PolarHBondContact O-N 2.76Å; V1056-V1059 VanDerWaalsContact O-N 3.09Å; V1056-I1060 HydrophobicContact CG1-CD1 3.74Å; V1056-I1060 HydrophobicContact CG1-CG1 4.2Å; V1056-I1060 WeakPolarHBondContact O-CG1 3.41Å; V1056-I1060 PolarHBondContact O-N 2.94Å; V1056-L1120 HydrophobicContact CG2-CD1 4.12Å; V1056-L1120 HydrophobicContact CG2-CD2 4.11Å; V1056-F1219 HydrophobicContact CG2-CE1 4.25Å; V1056-F1219 HydrophobicContact CG2-CE2 3.7Å; V1056-F1219 HydrophobicContact CG2-CZ 3.5Å; V1056-F1219 VanDerWaalsContact CG2-CZ 3.5Å; V1056-L1230 HydrophobicContact CB-CD1 4.48Å; V1056-L1230 HydrophobicContact CB-CD2 4.1Å; V1056-L1230 HydrophobicContact CG1-CD2 4.02Å; V1056-L1230 HydrophobicContact CG2-CB 4.42Å; V1056-L1230 HydrophobicContact CG2-CD1 4.17Å; V1056-L1230 HydrophobicContact CG2-CD2 4.46Å; V1056-L1234 HydrophobicContact CG1-CB 4.14Å; V1056-L1234 HydrophobicContact CG1-CD1 4.44Å
1057N93.3Very high89.8Confident89 Ų8952.2 Ų52.248%0.47627%0.267SS..Hα-helixtrans-61.4-34.6174.7-78-31.7000112.8H1053 A1054 I1060 K1061H1053-N1057 WeakPolarHBondContact O-CB 3.5Å; H1053-N1057 PolarHBondContact O-N 2.71Å; H1053-N1057 PolarHBondContact O-ND2 3.28Å; A1054-N1057 PolarHBondContact O-N 2.9Å; N1057-I1060 PolarHBondContact O-N 2.96Å; N1057-K1061 WeakPolarHBondContact O-CB 3.45Å; N1057-K1061 PolarHBondContact O-N 3.03Å
1058D92.9Very high90.2Very high93 Ų9349.4 Ų49.450%0.49726%0.26SS..Hα-helixtrans-63.3-38.6172.6-81.4-27.8000112.3A1054 V1056 A1062 P1116A1054-D1058 PolarHBondContact O-N 3.14Å; V1056-D1058 VanDerWaalsContact C-N 3.29Å; V1056-D1058 PolarHBondContact O-N 3.36Å; D1058-A1062 WeakPolarHBondContact O-CB 3.41Å; D1058-A1062 PolarHBondContact O-N 3.01Å; D1058-A1062 VanDerWaalsContact O-N 3.13Å; D1058-P1116 HydrophobicContact CB-CB 4.05Å
1059V93.5Very high90.3Very high1 Ų150.7 Ų50.71%0.00626%0.264CS..Hα-helixtrans-68.2-49.7173.2-178.40000110.7M1055 V1056 K1061 A1062 V1063 P1116 L1117 L1120 L1234 L1238M1055-V1059 PolarHBondContact O-N 3.36Å; V1056-V1059 PolarHBondContact O-N 2.76Å; V1056-V1059 VanDerWaalsContact O-N 3.09Å; V1059-K1061 VanDerWaalsContact C-N 3.29Å; V1059-K1061 PolarHBondContact O-N 3.39Å; V1059-A1062 PolarHBondContact O-N 3.07Å; V1059-A1062 VanDerWaalsContact O-N 3.14Å; V1059-V1063 HydrophobicContact CG1-CG2 4.35Å; V1059-V1063 WeakPolarHBondContact O-CG2 3.46Å; V1059-V1063 PolarHBondContact O-N 3.23Å; V1059-P1116 HydrophobicContact CG2-CB 3.77Å; V1059-P1116 HydrophobicContact CG2-CG 4.23Å; V1059-L1117 HydrophobicContact CG2-CB 4.46Å; V1059-L1120 HydrophobicContact CG2-CD2 4.11Å; V1059-L1234 HydrophobicContact CB-CD1 4.04Å; V1059-L1234 HydrophobicContact CG1-CD1 3.7Å; V1059-L1238 HydrophobicContact CG1-CD2 4.43Å
1060I93.3Very high90.1Very high13 Ų1350.6 Ų50.67%0.06726%0.261CS..Hα-helixtrans-55.2-45.9179.3-73.9176000110.6V1056 N1057 V1063 Q1064 D1233 H1237V1056-I1060 HydrophobicContact CG1-CD1 3.74Å; V1056-I1060 HydrophobicContact CG1-CG1 4.2Å; V1056-I1060 WeakPolarHBondContact O-CG1 3.41Å; V1056-I1060 PolarHBondContact O-N 2.94Å; N1057-I1060 PolarHBondContact O-N 2.96Å; I1060-V1063 WeakPolarHBondContact O-CB 3.25Å; I1060-V1063 PolarHBondContact O-N 3.38Å; I1060-Q1064 HydrophobicContact CG2-CG 4.45Å; I1060-Q1064 VanDerWaalsContact CG2-NE2 3.32Å; I1060-Q1064 WeakPolarHBondContact O-CB 3Å; I1060-Q1064 VanDerWaalsContact O-CG 3.29Å; I1060-Q1064 WeakPolarHBondContact O-CG 3.43Å; I1060-Q1064 PolarHBondContact O-N 3.33Å; I1060-D1233 HydrophobicContact CD1-CB 4.19Å; I1060-H1237 HydrophobicContact CG1-CB 4.1Å
1061K92.1Very high89.8Confident116 Ų11649.7 Ų49.750%0.50426%0.259SS..Hα-helixtrans-62.8-45176.7179-178.9169.8-1730112.3N1057 V1059 V1063 Q1064 E1065N1057-K1061 WeakPolarHBondContact O-CB 3.45Å; N1057-K1061 PolarHBondContact O-N 3.03Å; V1059-K1061 VanDerWaalsContact C-N 3.29Å; V1059-K1061 PolarHBondContact O-N 3.39Å; K1061-V1063 VanDerWaalsContact C-N 3.28Å; K1061-V1063 PolarHBondContact O-N 2.93Å; K1061-Q1064 PolarHBondContact O-N 3.5Å; K1061-E1065 WeakPolarHBondContact CE-OE1 3.49Å; K1061-E1065 WeakPolarHBondContact O-CG 3.07Å; K1061-E1065 PolarHBondContact O-N 2.69Å
1062A92Very high89Confident8 Ų847 Ų477%0.06625%0.253CS..Hα-helixtrans-63.7-35.1177.100000112.4D1058 V1059 T1066 A1112 V1113 P1116D1058-A1062 WeakPolarHBondContact O-CB 3.41Å; D1058-A1062 PolarHBondContact O-N 3.01Å; D1058-A1062 VanDerWaalsContact O-N 3.13Å; V1059-A1062 PolarHBondContact O-N 3.07Å; V1059-A1062 VanDerWaalsContact O-N 3.14Å; A1062-T1066 WeakPolarHBondContact O-CB 3.36Å; A1062-T1066 PolarHBondContact O-N 3.34Å; A1062-T1066 PolarHBondContact O-OG1 3.08Å; A1062-A1112 HydrophobicContact CB-CB 4.34Å; A1062-A1112 WeakPolarHBondContact CB-O 3.31Å; A1062-V1113 HydrophobicContact CB-CG2 4.25Å; A1062-P1116 HydrophobicContact CB-CG 4Å
1063V91.4Very high87.1Confident0 Ų050.1 Ų50.10%027%0.274CS..Hα-helixtrans-65.3-47.7171.1170.30000110.7V1059 I1060 K1061 E1065 T1066 V1067 V1113 H1237 L1238 L1241V1059-V1063 HydrophobicContact CG1-CG2 4.35Å; V1059-V1063 WeakPolarHBondContact O-CG2 3.46Å; V1059-V1063 PolarHBondContact O-N 3.23Å; I1060-V1063 WeakPolarHBondContact O-CB 3.25Å; I1060-V1063 PolarHBondContact O-N 3.38Å; K1061-V1063 VanDerWaalsContact C-N 3.28Å; K1061-V1063 PolarHBondContact O-N 2.93Å; V1063-E1065 PolarHBondContact O-N 2.76Å; V1063-T1066 CarbonylContact O-C 3.51Å; V1063-T1066 WeakPolarHBondContact O-CA 3.46Å; V1063-T1066 VanDerWaalsContact O-CB 3.28Å; V1063-T1066 WeakPolarHBondContact O-CB 3.26Å; V1063-T1066 PolarHBondContact O-N 3.26Å; V1063-V1067 HydrophobicContact CG1-CG2 4.2Å; V1063-V1067 WeakPolarHBondContact O-CG2 3.43Å; V1063-V1067 PolarHBondContact O-N 3.23Å; V1063-V1113 HydrophobicContact CG2-CG1 3.91Å; V1063-V1113 HydrophobicContact CG2-CG2 4.16Å; V1063-H1237 HydrophobicContact CG1-CB 4.19Å; V1063-H1237 WeakPolarHBondContact CG1-O 3.25Å; V1063-L1238 HydrophobicContact CG2-CD2 4.08Å; V1063-L1241 HydrophobicContact CG1-CD2 4Å; V1063-L1241 HydrophobicContact CG1-CG 4.09Å; V1063-L1241 HydrophobicContact CG2-CD1 4.16Å; V1063-L1241 HydrophobicContact CG2-CG 4.38Å
1064Q90.5Very high85.1Confident95 Ų9550.6 Ų50.644%0.44428%0.28SS..Hα-helixtrans-63.3-40.5178.7-71.5171.52.400112.2I1060 K1061 T1066 V1067 A1068 H1237I1060-Q1064 HydrophobicContact CG2-CG 4.45Å; I1060-Q1064 VanDerWaalsContact CG2-NE2 3.32Å; I1060-Q1064 WeakPolarHBondContact O-CB 3Å; I1060-Q1064 VanDerWaalsContact O-CG 3.29Å; I1060-Q1064 WeakPolarHBondContact O-CG 3.43Å; I1060-Q1064 PolarHBondContact O-N 3.33Å; K1061-Q1064 PolarHBondContact O-N 3.5Å; Q1064-T1066 VanDerWaalsContact C-N 3.26Å; Q1064-T1066 PolarHBondContact O-N 3.2Å; Q1064-V1067 PolarHBondContact O-N 3.12Å; Q1064-A1068 WeakPolarHBondContact O-CB 3.19Å; Q1064-A1068 PolarHBondContact O-N 2.8Å; Q1064-H1237 PolarHBondContact NE2-NE2 3.28Å; Q1064-H1237 VanDerWaalsContact NE2-NE2 3.11Å
1065E87.9Confident83.3Confident87 Ų8751.5 Ų51.541%0.40728%0.277SS..Hα-helixtrans-61.2-34.8171-73.9-174.5-153.300111.7K1061 V1063 Y1069K1061-E1065 WeakPolarHBondContact CE-OE1 3.49Å; K1061-E1065 WeakPolarHBondContact O-CG 3.07Å; K1061-E1065 PolarHBondContact O-N 2.69Å; V1063-E1065 PolarHBondContact O-N 2.76Å; E1065-Y1069 PolarHBondContact O-N 3.46Å; E1065-Y1069 VanDerWaalsContact O-N 3.12Å
1066T86.6Confident81.1Confident0 Ų054.2 Ų54.20%029%0.291CS..Hα-helixtrans-70.7-48.8176.3-63.70000112.9A1062 V1063 Q1064 A1068 Y1069 Y1070 P1109 L1110 V1113 L1241A1062-T1066 WeakPolarHBondContact O-CB 3.36Å; A1062-T1066 PolarHBondContact O-N 3.34Å; A1062-T1066 PolarHBondContact O-OG1 3.08Å; V1063-T1066 CarbonylContact O-C 3.51Å; V1063-T1066 WeakPolarHBondContact O-CA 3.46Å; V1063-T1066 VanDerWaalsContact O-CB 3.28Å; V1063-T1066 WeakPolarHBondContact O-CB 3.26Å; V1063-T1066 PolarHBondContact O-N 3.26Å; Q1064-T1066 VanDerWaalsContact C-N 3.26Å; Q1064-T1066 PolarHBondContact O-N 3.2Å; T1066-A1068 VanDerWaalsContact C-N 3.34Å; T1066-Y1069 PolarHBondContact O-N 3.37Å; T1066-Y1070 HydrophobicContact CG2-CD2 3.97Å; T1066-Y1070 HydrophobicContact CG2-CE2 3.76Å; T1066-Y1070 VanDerWaalsContact O-CD2 3.26Å; T1066-Y1070 WeakPolarHBondContact O-CD2 3.44Å; T1066-Y1070 PolarHBondContact O-N 3.41Å; T1066-P1109 HydrophobicContact CG2-CB 4.06Å; T1066-P1109 WeakPolarHBondContact OG1-CB 3.39Å; T1066-P1109 PolarHBondContact OG1-O 3.08Å; T1066-L1110 HydrophobicContact CG2-CD2 3.66Å; T1066-L1110 HydrophobicContact CG2-CG 4.15Å; T1066-V1113 WeakPolarHBondContact OG1-CG2 3.4Å; T1066-L1241 HydrophobicContact CG2-CD2 3.68Å
1067V87.7Confident78.5Confident28 Ų2859.5 Ų59.517%0.1732%0.319CS..Hα-helixtrans-61.1-45.2175.81750000109.6V1063 Q1064 Y1069 Y1070 C1071 Q1240 L1241 F1244V1063-V1067 HydrophobicContact CG1-CG2 4.2Å; V1063-V1067 WeakPolarHBondContact O-CG2 3.43Å; V1063-V1067 PolarHBondContact O-N 3.23Å; Q1064-V1067 PolarHBondContact O-N 3.12Å; V1067-Y1069 VanDerWaalsContact C-N 3.34Å; V1067-Y1069 PolarHBondContact O-N 3.4Å; V1067-Y1070 PolarHBondContact O-N 2.85Å; V1067-C1071 VanDerWaalsContact O-CB 3.24Å; V1067-C1071 WeakPolarHBondContact O-CB 3.33Å; V1067-C1071 PolarHBondContact O-N 3.32Å; V1067-C1071 PolarHBondContact O-SG 3.12Å; V1067-C1071 VanDerWaalsContact O-SG 3.36Å; V1067-Q1240 HydrophobicContact CG2-CB 3.97Å; V1067-L1241 HydrophobicContact CG2-CD2 4.45Å; V1067-F1244 HydrophobicContact CB-CE2 4.48Å; V1067-F1244 HydrophobicContact CG1-CE2 4.28Å; V1067-F1244 HydrophobicContact CG1-CZ 4.22Å; V1067-F1244 HydrophobicContact CG2-CE2 4.12Å
1068A85.9Confident75.8Confident59 Ų5963.1 Ų63.149%0.48833%0.331SS..Hα-helixtrans-61.2-37.8178.300000113.2Q1064 T1066 N1072Q1064-A1068 WeakPolarHBondContact O-CB 3.19Å; Q1064-A1068 PolarHBondContact O-N 2.8Å; T1066-A1068 VanDerWaalsContact C-N 3.34Å; A1068-N1072 WeakPolarHBondContact O-CB 3.29Å; A1068-N1072 PolarHBondContact O-N 3.28Å
1069Y82.2Confident73.2Confident59 Ų5964.8 Ų64.823%0.23134%0.34CS..Hα-helixtrans-63.2-49.5174.3179.8-85.6000111.7E1065 T1066 V1067 N1072 I1075 P1109E1065-Y1069 PolarHBondContact O-N 3.46Å; E1065-Y1069 VanDerWaalsContact O-N 3.12Å; T1066-Y1069 PolarHBondContact O-N 3.37Å; V1067-Y1069 VanDerWaalsContact C-N 3.34Å; V1067-Y1069 PolarHBondContact O-N 3.4Å; Y1069-N1072 PolarHBondContact O-N 3.27Å; Y1069-I1075 HydrophobicContact CD2-CD1 4.01Å; Y1069-I1075 HydrophobicContact CE2-CD1 4.3Å; Y1069-I1075 HydrophobicContact CE2-CG2 4.27Å; Y1069-P1109 HydrophobicContact CD1-CG 3.38Å; Y1069-P1109 HydrophobicContact CD2-CG 3.73Å; Y1069-P1109 HydrophobicContact CE1-CG 3.89Å; Y1069-P1109 HydrophobicContact CE2-CG 4.21Å; Y1069-P1109 HydrophobicContact CG-CB 4.42Å; Y1069-P1109 HydrophobicContact CG-CG 3.27Å
1070Y79.5Confident70.6Confident29 Ų2971 Ų7111%0.11437%0.368CS..Hα-helixtrans-75.3-23.8-178.3-66.3-55.8000114T1066 V1067 Y1096 L1110 F1244 F1246T1066-Y1070 HydrophobicContact CG2-CD2 3.97Å; T1066-Y1070 HydrophobicContact CG2-CE2 3.76Å; T1066-Y1070 VanDerWaalsContact O-CD2 3.26Å; T1066-Y1070 WeakPolarHBondContact O-CD2 3.44Å; T1066-Y1070 PolarHBondContact O-N 3.41Å; V1067-Y1070 PolarHBondContact O-N 2.85Å; Y1070-Y1096 HydrophobicContact CD1-CD1 4.08Å; Y1070-Y1096 AromaticContact CD1-CE1 3.75Å; Y1070-Y1096 HydrophobicContact CD1-CE1 3.75Å; Y1070-Y1096 HydrophobicContact CE1-CD1 4.04Å; Y1070-Y1096 HydrophobicContact CE1-CE1 4.19Å; Y1070-L1110 HydrophobicContact CE2-CD1 4.09Å; Y1070-L1110 HydrophobicContact CE2-CD2 4.35Å; Y1070-L1110 HydrophobicContact CE2-CG 4.01Å; Y1070-L1110 WeakPolarHBondContact OH-CD1 3.45Å; Y1070-F1244 HydrophobicContact CD2-CD1 4.43Å; Y1070-F1244 HydrophobicContact CD2-CG 4.49Å; Y1070-F1244 HydrophobicContact CG-CD1 4.2Å; Y1070-F1244 HydrophobicContact CG-CE1 4.35Å; Y1070-F1246 HydrophobicContact CD2-CE1 4.42Å; Y1070-F1246 AromaticContact CE2-CE1 3.94Å; Y1070-F1246 HydrophobicContact CE2-CE1 3.94Å
1071C81.8Confident67.8Low84 Ų8478.1 Ų78.157%0.56840%0.401SS*.Hα-helixtrans-79.3-14.3173.2-75.60000113.9V1067 P1073V1067-C1071 VanDerWaalsContact O-CB 3.24Å; V1067-C1071 WeakPolarHBondContact O-CB 3.33Å; V1067-C1071 PolarHBondContact O-N 3.32Å; V1067-C1071 PolarHBondContact O-SG 3.12Å; V1067-C1071 VanDerWaalsContact O-SG 3.36Å; C1071-P1073 WeakPolarHBondContact O-CD 3.42Å
1072N74Confident65.1Low62 Ų6282.1 Ų82.133%0.33242%0.422SS..  trans-88.6104-176.8-171.3-11.2000111.6A1068 Y1069 N1074 I1075A1068-N1072 WeakPolarHBondContact O-CB 3.29Å; A1068-N1072 PolarHBondContact O-N 3.28Å; Y1069-N1072 PolarHBondContact O-N 3.27Å; N1072-N1074 PolarHBondContact O-N 3.09Å; N1072-N1074 WeakPolarHBondContact OD1-CB 3.38Å; N1072-N1074 PolarHBondContact OD1-N 3.14Å; N1072-I1075 HydrophobicContact CB-CD1 4.16Å; N1072-I1075 HydrophobicContact CB-CG1 4.37Å
1073P54.4Low62.5Low72 Ų7288.9 Ų88.947%0.46846%0.456SS..THydrogen-bonded Turntrans-65.9-26.7-176.329.1-36.1000112.6C1071 I1075 N1076 L1077C1071-P1073 WeakPolarHBondContact O-CD 3.42Å; P1073-I1075 PolarHBondContact O-N 2.89Å; P1073-N1076 PolarHBondContact O-N 3.01Å; P1073-L1077 PolarHBondContact O-N 3Å
1074N49.3Very low59.5Low95 Ų9596.8 Ų96.851%0.50850%0.498SS..Hα-helixtrans-70.6-17.3-171.7-61.2-40.4000113.4N1072 K1078N1072-N1074 PolarHBondContact O-N 3.09Å; N1072-N1074 WeakPolarHBondContact OD1-CB 3.38Å; N1072-N1074 PolarHBondContact OD1-N 3.14Å; N1074-K1078 WeakPolarHBondContact O-CG 2.99Å; N1074-K1078 PolarHBondContact O-N 3.43Å
1075I54.9Low56.7Low70 Ų7095.2 Ų95.236%0.35951%0.507SS..Hα-helixtrans-76-27.1173.7-58.9178000111Y1069 N1072 P1073Y1069-I1075 HydrophobicContact CD2-CD1 4.01Å; Y1069-I1075 HydrophobicContact CE2-CD1 4.3Å; Y1069-I1075 HydrophobicContact CE2-CG2 4.27Å; N1072-I1075 HydrophobicContact CB-CD1 4.16Å; N1072-I1075 HydrophobicContact CB-CG1 4.37Å; P1073-I1075 PolarHBondContact O-N 2.89Å
1076N45.6Very low54Low78 Ų7899.3 Ų99.342%0.41753%0.526SS..Hα-helixtrans-86.2-26.1176.2-79.3-79.9000113.4P1073P1073-N1076 PolarHBondContact O-N 3.01Å
1077L39.1Very low51.3Low112 Ų112105.8 Ų105.859%0.58656%0.561SS**Hα-helixtrans-84.8-37-178.2-92.767000113.7P1073 N1079 H1080P1073-L1077 PolarHBondContact O-N 3Å; L1077-N1079 PolarHBondContact O-N 3.49Å; L1077-H1080 WeakPolarHBondContact O-CB 3.39Å; L1077-H1080 PolarHBondContact O-N 2.84Å
1078K37.1Very low48.4Very low165 Ų165109.7 Ų109.772%0.71759%0.589SS**THydrogen-bonded Turntrans-69.2-3.2-171.3-77.5-166.3170.7-163.20116.5N1074N1074-K1078 WeakPolarHBondContact O-CG 2.99Å; N1074-K1078 PolarHBondContact O-N 3.43Å
1079N39.3Very low45.9Very low127 Ų127114 Ų11468%0.67960%0.603SS**THydrogen-bonded Turntrans-11013.9173.7-64.2-5.1000112.2L1077L1077-N1079 PolarHBondContact O-N 3.49Å
1080H37.7Very low43.3Very low131 Ų131115.8 Ų115.861%0.60662%0.624SS**  trans-116.80.2-165.9-137.5-57.1000115.3L1077L1077-H1080 WeakPolarHBondContact O-CB 3.39Å; L1077-H1080 PolarHBondContact O-N 2.84Å
1081E35Very low40.9Very low164 Ų164121.7 Ų121.777%0.76666%0.658SS**THydrogen-bonded Turntrans-86.7-15.2-176.3-68.9-177.196.800114.6
1082E34.6Very low38.6Very low200 Ų200122.4 Ų122.494%0.93566%0.66SS**THydrogen-bonded Turntrans-88.81.9178.8-69.3-168.4125.500114.8
1083L37.5Very low36.7Very low149 Ų149125 Ų12578%0.7868%0.683SS**  trans-120.451.1-178.3-85.7165.7000113.4G1085L1083-G1085 PolarHBondContact O-N 2.93Å; L1083-G1085 VanDerWaalsContact O-N 3.1Å
1084N30.2Very low35.5Very low167 Ų167128.3 Ų128.389%0.89370%0.696SS**  trans-74.292.6166.9-100.3-40.1000110.4
1085G30.2Very low34.9Very low61 Ų61127 Ų12763%0.62969%0.693SS**  trans-144.727.4-164.900000117.4L1083L1083-G1085 PolarHBondContact O-N 2.93Å; L1083-G1085 VanDerWaalsContact O-N 3.1Å
1086H32.1Very low34.7Very low173 Ų173127.7 Ų127.780%0.80169%0.691SS**  trans66143.5167.8-68.4-84.8000120.6
1087N30.4Very low34.6Very low137 Ų137126.2 Ų126.273%0.73369%0.687SS**  trans78.295.7153.4-58.3-14.4000120.9
1088S26.5Very low34.7Very low109 Ų109128.4 Ų128.476%0.76269%0.692SS**  56.881.3129.865.70000120
1089L33Very low35Very low149 Ų149122.7 Ų122.778%0.7867%0.671SS**  trans-139.2100.3145-98.1114.6000111.5
1090S27.7Very low35.3Very low97 Ų97118.5 Ų118.568%0.67865%0.647SS**  trans-81.8152160.7500000110.7
1091N27.8Very low35.1Very low154 Ų154116.2 Ų116.282%0.82465%0.651SS**SBendtrans73.732.1164.4-53-11.8000118.3
1092T33.7Very low35Very low99 Ų99114.2 Ų114.261%0.60764%0.644SS**  trans-117.6121.8161.4390000111.7L1094T1092-L1094 PolarHBondContact O-N 3.3Å
1093S34.2Very low34.8Very low115 Ų115107.2 Ų107.280%0.80463%0.625SS**PPolyproline II helixtrans-68.7117.4172.854.90000109.9
1094L30.3Very low34.5Very low143 Ų143106.9 Ų106.975%0.74964%0.636SS**PPolyproline II helixtrans-56.9128.2179.8-69171.8000110.8T1092 Y1096T1092-L1094 PolarHBondContact O-N 3.3Å; L1094-Y1096 PolarHBondContact O-N 3.19Å
1095P37.1Very low34.6Very low68 Ų68104.8 Ų104.844%0.44263%0.634SS.*PPolyproline II helixtrans-69.6117179.827-33000109.8S1097 K1098P1095-S1097 PolarHBondContact O-N 3.11Å; P1095-K1098 PolarHBondContact O-N 3.24Å
1096Y49.5Very low34.7Very low83 Ų83104.3 Ų104.333%0.32563%0.629SS.*G310 helixtrans-56.2-23.6-176.9-93.3-97.3000113.8Y1070 L1094 K1098 V1099 P1245Y1070-Y1096 HydrophobicContact CD1-CD1 4.08Å; Y1070-Y1096 AromaticContact CD1-CE1 3.75Å; Y1070-Y1096 HydrophobicContact CD1-CE1 3.75Å; Y1070-Y1096 HydrophobicContact CE1-CD1 4.04Å; Y1070-Y1096 HydrophobicContact CE1-CE1 4.19Å; L1094-Y1096 PolarHBondContact O-N 3.19Å; Y1096-K1098 PolarHBondContact O-N 3.19Å; Y1096-V1099 WeakPolarHBondContact O-CB 3.44Å; Y1096-V1099 PolarHBondContact O-N 2.89Å; Y1096-P1245 HydrophobicContact CD2-CG 3.89Å; Y1096-P1245 HydrophobicContact CE2-CG 3.94Å
1097S43.2Very low35.5Very low47 Ų47104 Ų10433%0.32963%0.626SS.*G310 helixtrans-59.6-27.4172.958.60000114P1095 V1099 E1100 N1247P1095-S1097 PolarHBondContact O-N 3.11Å; S1097-V1099 VanDerWaalsContact C-N 3.31Å; S1097-V1099 PolarHBondContact O-N 3.29Å; S1097-E1100 WeakPolarHBondContact O-CB 3.41Å; S1097-E1100 PolarHBondContact O-N 3.12Å; S1097-N1247 WeakPolarHBondContact CB-O 3.45Å
1098K40.7Very low36.9Very low158 Ų15899 Ų9969%0.68760%0.598SS**G310 helixtrans-76.9-18.8-179.7-137176.4-174.7-1760113P1095 Y1096 E1100 A1101P1095-K1098 PolarHBondContact O-N 3.24Å; Y1096-K1098 PolarHBondContact O-N 3.19Å; K1098-E1100 PolarHBondContact O-N 2.71Å; K1098-A1101 PolarHBondContact O-N 3.44Å
1099V44.1Very low38.4Very low46 Ų4694.2 Ų94.228%0.27956%0.564SS.*G310 helixtrans-71.8-20.4169.8-1730000111Y1096 S1097 A1101Y1096-V1099 WeakPolarHBondContact O-CB 3.44Å; Y1096-V1099 PolarHBondContact O-N 2.89Å; S1097-V1099 VanDerWaalsContact C-N 3.31Å; S1097-V1099 PolarHBondContact O-N 3.29Å; V1099-A1101 VanDerWaalsContact C-N 3.28Å; V1099-A1101 PolarHBondContact O-N 3.42Å
1100E45.3Very low39.9Very low39 Ų3987.3 Ų87.318%0.18253%0.528CS..G310 helixtrans-75.3-14.2174.2-56.9-166.972.800114.2S1097 K1098 L1248 K1256S1097-E1100 WeakPolarHBondContact O-CB 3.41Å; S1097-E1100 PolarHBondContact O-N 3.12Å; K1098-E1100 PolarHBondContact O-N 2.71Å; E1100-L1248 VanDerWaalsContact OE2-CD2 3.32Å; E1100-L1248 WeakPolarHBondContact OE2-CD2 3.33Å; E1100-K1256 IonicContact OE1-NZ 2.81Å; E1100-K1256 PolarHBondContact OE1-NZ 3.16Å
1101A33.7Very low41.8Very low82 Ų8284.6 Ų84.668%0.67851%0.505SS*.G310 helixtrans-86.8-10.4-171.100000114.4K1098 V1099K1098-A1101 PolarHBondContact O-N 3.44Å; V1099-A1101 VanDerWaalsContact C-N 3.28Å; V1099-A1101 PolarHBondContact O-N 3.42Å
1102I33.8Very low44.3Very low123 Ų12379 Ų7963%0.63148%0.481SS*.SBendtrans-105.1120.6-174.9-55.7178000110.6
1103G29.3Very low46.8Very low52 Ų5274.4 Ų74.454%0.53645%0.452SS..  trans84.7100.2163.600000115.7S1105 G1106G1103-S1105 PolarHBondContact O-N 2.95Å; G1103-G1106 PolarHBondContact O-N 2.98Å
1104S31.3Very low49.3Very low143 Ų14369.1 Ų69.1100%142%0.415SS*.THydrogen-bonded Turntrans-67.428.917044.50000114.7
1105S31.7Very low52.1Low123 Ų12363 Ų6386%0.8638%0.384SS*.THydrogen-bonded Turntrans-141.1-11.7-176.2-161.20000113.1G1103G1103-S1105 PolarHBondContact O-N 2.95Å
1106G33.1Very low54.7Low51 Ų5160.7 Ų60.753%0.52637%0.369SS..SBendtrans-88.3135.4178.400000113.1G1103 Q1108G1103-G1106 PolarHBondContact O-N 2.98Å; G1106-Q1108 PolarHBondContact O-N 3.28Å; G1106-Q1108 VanDerWaalsContact O-N 3.09Å
1107K49.2Very low56.7Low167 Ų16756.7 Ų56.773%0.72635%0.353SS*.  trans-63.6108.5172.8-65.2-179.6-179.5-178.10110.1P1109K1107-P1109 VanDerWaalsContact O-CD 3.3Å; K1107-P1109 WeakPolarHBondContact O-CD 3.33Å
1108Q59.2Low58.9Low31 Ų3154.7 Ų54.715%0.14534%0.339CS..  trans-70.7112.4168-72.3-61.4-24.500109.1G1106 L1110 L1111G1106-Q1108 PolarHBondContact O-N 3.28Å; G1106-Q1108 VanDerWaalsContact O-N 3.09Å; Q1108-L1110 PolarHBondContact O-N 3.32Å; Q1108-L1111 HydrophobicContact CB-CD1 3.67Å; Q1108-L1111 HydrophobicContact CB-CG 4.5Å; Q1108-L1111 WeakPolarHBondContact O-CB 3.28Å; Q1108-L1111 PolarHBondContact O-N 3.24Å; Q1108-L1111 VanDerWaalsContact O-N 3.15Å
1109P59.1Low61.2Low8 Ų852 Ų525%0.05233%0.331CS..THydrogen-bonded Turntrans-70.4-33.4-161.9-14.326000113.3T1066 Y1069 K1107 L1111 A1112T1066-P1109 HydrophobicContact CG2-CB 4.06Å; T1066-P1109 WeakPolarHBondContact OG1-CB 3.39Å; T1066-P1109 PolarHBondContact OG1-O 3.08Å; Y1069-P1109 HydrophobicContact CD1-CG 3.38Å; Y1069-P1109 HydrophobicContact CD2-CG 3.73Å; Y1069-P1109 HydrophobicContact CE1-CG 3.89Å; Y1069-P1109 HydrophobicContact CE2-CG 4.21Å; Y1069-P1109 HydrophobicContact CG-CB 4.42Å; Y1069-P1109 HydrophobicContact CG-CG 3.27Å; K1107-P1109 VanDerWaalsContact O-CD 3.3Å; K1107-P1109 WeakPolarHBondContact O-CD 3.33Å; P1109-L1111 PolarHBondContact O-N 3.03Å; P1109-A1112 WeakPolarHBondContact O-CA 3.33Å; P1109-A1112 WeakPolarHBondContact O-CB 3.41Å; P1109-A1112 PolarHBondContact O-N 3.3Å
1110L64.2Low63.5Low4 Ų449.9 Ų49.92%0.02132%0.318CS..Hα-helixtrans-62.6-27.1177.4-65.2162.7000112.4T1066 Y1070 Q1108 A1112 V1113 L1191 F1246 L1248T1066-L1110 HydrophobicContact CG2-CD2 3.66Å; T1066-L1110 HydrophobicContact CG2-CG 4.15Å; Y1070-L1110 HydrophobicContact CE2-CD1 4.09Å; Y1070-L1110 HydrophobicContact CE2-CD2 4.35Å; Y1070-L1110 HydrophobicContact CE2-CG 4.01Å; Y1070-L1110 WeakPolarHBondContact OH-CD1 3.45Å; Q1108-L1110 PolarHBondContact O-N 3.32Å; L1110-A1112 PolarHBondContact O-N 3.37Å; L1110-V1113 PolarHBondContact O-N 3.24Å; L1110-L1191 HydrophobicContact CD2-CD1 4.32Å; L1110-F1246 HydrophobicContact CD1-CD1 3.48Å; L1110-F1246 VanDerWaalsContact CD1-CD1 3.48Å; L1110-F1246 HydrophobicContact CD1-CE1 3.6Å; L1110-F1246 HydrophobicContact CD1-CG 4.31Å; L1110-F1246 HydrophobicContact CD1-CZ 4.48Å; L1110-F1246 HydrophobicContact CD2-CD1 4.1Å; L1110-F1246 HydrophobicContact CD2-CE1 3.5Å; L1110-F1246 HydrophobicContact CD2-CE2 4.28Å; L1110-F1246 HydrophobicContact CD2-CZ 3.59Å; L1110-F1246 HydrophobicContact CG-CD1 4.42Å; L1110-F1246 HydrophobicContact CG-CE1 4.09Å; L1110-L1248 HydrophobicContact CD1-CD1 4.29Å; L1110-L1248 HydrophobicContact CD1-CD2 3.83Å; L1110-L1248 HydrophobicContact CD1-CG 4.41Å
1111L68.3Low65.7Low40 Ų4048.1 Ų48.121%0.20931%0.31CS..Hα-helixtrans-72.6-14.7170.8-76.470000113.1Q1108 P1109 P1115 E1253 K1256Q1108-L1111 HydrophobicContact CB-CD1 3.67Å; Q1108-L1111 HydrophobicContact CB-CG 4.5Å; Q1108-L1111 WeakPolarHBondContact O-CB 3.28Å; Q1108-L1111 PolarHBondContact O-N 3.24Å; Q1108-L1111 VanDerWaalsContact O-N 3.15Å; P1109-L1111 PolarHBondContact O-N 3.03Å; L1111-P1115 WeakPolarHBondContact O-CD 3.45Å; L1111-P1115 WeakPolarHBondContact O-CG 3.15Å; L1111-E1253 VanDerWaalsContact CD1-CD 3.44Å; L1111-E1253 VanDerWaalsContact CD1-OE1 3.22Å; L1111-E1253 WeakPolarHBondContact CD1-OE1 3.4Å; L1111-E1253 VanDerWaalsContact CD1-OE2 3.24Å; L1111-E1253 WeakPolarHBondContact CD1-OE2 3.33Å; L1111-E1253 WeakPolarHBondContact CD2-OE1 3.44Å; L1111-E1253 WeakPolarHBondContact CG-OE1 3.34Å; L1111-K1256 HydrophobicContact CD1-CD 4.4Å; L1111-K1256 HydrophobicContact CD2-CB 4.08Å; L1111-K1256 HydrophobicContact CD2-CD 3.81Å
1112A78.7Confident68.3Low37 Ų3746.1 Ų46.131%0.30629%0.291SS..Hα-helixtrans-79-29.4171.900000111.8A1062 P1109 L1110 P1116A1062-A1112 HydrophobicContact CB-CB 4.34Å; A1062-A1112 WeakPolarHBondContact CB-O 3.31Å; P1109-A1112 WeakPolarHBondContact O-CA 3.33Å; P1109-A1112 WeakPolarHBondContact O-CB 3.41Å; P1109-A1112 PolarHBondContact O-N 3.3Å; L1110-A1112 PolarHBondContact O-N 3.37Å; A1112-P1116 WeakPolarHBondContact O-CD 3.25Å; A1112-P1116 WeakPolarHBondContact O-CG 3.27Å
1113V86Confident70.9Confident2 Ų241.2 Ų41.21%0.01227%0.266CS..Hα-helixtrans-75.1-37.4179.1-174.50000112A1062 V1063 T1066 L1110 P1116 L1117 L1238 L1241A1062-V1113 HydrophobicContact CB-CG2 4.25Å; V1063-V1113 HydrophobicContact CG2-CG1 3.91Å; V1063-V1113 HydrophobicContact CG2-CG2 4.16Å; T1066-V1113 WeakPolarHBondContact OG1-CG2 3.4Å; L1110-V1113 PolarHBondContact O-N 3.24Å; V1113-P1116 VanDerWaalsContact O-CD 3.3Å; V1113-P1116 WeakPolarHBondContact O-CD 3.25Å; V1113-P1116 WeakPolarHBondContact O-CG 3.32Å; V1113-L1117 VanDerWaalsContact O-CB 3.27Å; V1113-L1117 WeakPolarHBondContact O-CB 3.4Å; V1113-L1117 PolarHBondContact O-N 2.98Å; V1113-L1238 HydrophobicContact CG1-CD2 4.49Å; V1113-L1241 HydrophobicContact CG1-CD1 4.26Å
1114I88.4Confident73.5Confident4 Ų440 Ų402%0.02125%0.253CS..Hα-helixtrans-64.1-43.8-173.6-59.1167.9000112.9T1118 K1184 I1187 F1258I1114-T1118 VanDerWaalsContact O-CB 3.28Å; I1114-T1118 WeakPolarHBondContact O-CB 3.43Å; I1114-T1118 PolarHBondContact O-N 2.84Å; I1114-T1118 PolarHBondContact O-OG1 3.36Å; I1114-K1184 HydrophobicContact CD1-CG 4.13Å; I1114-K1184 HydrophobicContact CG2-CG 4.22Å; I1114-I1187 HydrophobicContact CG1-CG2 3.96Å; I1114-F1258 HydrophobicContact CG2-CE2 4.34Å
1115P88.7Confident76.2Confident15 Ų1534.6 Ų34.610%0.09721%0.212CC..Hα-helixtrans-58.5-55.6178-25.535.1000115.6L1111 L1117 T1118 I1119 F1258L1111-P1115 WeakPolarHBondContact O-CD 3.45Å; L1111-P1115 WeakPolarHBondContact O-CG 3.15Å; P1115-L1117 VanDerWaalsContact C-N 3.32Å; P1115-L1117 PolarHBondContact O-N 2.82Å; P1115-T1118 WeakPolarHBondContact O-CB 3.41Å; P1115-T1118 PolarHBondContact O-N 2.79Å; P1115-I1119 WeakPolarHBondContact O-CG1 3.4Å; P1115-I1119 PolarHBondContact O-N 2.7Å; P1115-F1258 HydrophobicContact CB-CE1 3.9Å; P1115-F1258 HydrophobicContact CB-CZ 4.06Å; P1115-F1258 HydrophobicContact CG-CE1 4.05Å; P1115-F1258 HydrophobicContact CG-CZ 4.1Å
1116P91.3Very high78.7Confident19 Ų1931.2 Ų31.212%0.12319%0.185CC..Hα-helixtrans-64.7-36.7179.328.2-35.5000111.6D1058 V1059 A1062 A1112 V1113 T1118 I1119 L1120D1058-P1116 HydrophobicContact CB-CB 4.05Å; V1059-P1116 HydrophobicContact CG2-CB 3.77Å; V1059-P1116 HydrophobicContact CG2-CG 4.23Å; A1062-P1116 HydrophobicContact CB-CG 4Å; A1112-P1116 WeakPolarHBondContact O-CD 3.25Å; A1112-P1116 WeakPolarHBondContact O-CG 3.27Å; V1113-P1116 VanDerWaalsContact O-CD 3.3Å; V1113-P1116 WeakPolarHBondContact O-CD 3.25Å; V1113-P1116 WeakPolarHBondContact O-CG 3.32Å; P1116-T1118 VanDerWaalsContact C-N 3.34Å; P1116-T1118 PolarHBondContact O-N 2.82Å; P1116-I1119 PolarHBondContact O-N 2.76Å; P1116-L1120 WeakPolarHBondContact O-CB 3.27Å; P1116-L1120 PolarHBondContact O-N 3.47Å
1117L90.9Very high80.6Confident0 Ų033.1 Ų33.10%019%0.188CC..Hα-helixtrans-64.6-38.3175-17563.3000111.8V1059 V1113 P1115 L1121 I1187 L1196 L1200V1059-L1117 HydrophobicContact CG2-CB 4.46Å; V1113-L1117 VanDerWaalsContact O-CB 3.27Å; V1113-L1117 WeakPolarHBondContact O-CB 3.4Å; V1113-L1117 PolarHBondContact O-N 2.98Å; P1115-L1117 VanDerWaalsContact C-N 3.32Å; P1115-L1117 PolarHBondContact O-N 2.82Å; L1117-L1121 HydrophobicContact CD1-CD1 4.02Å; L1117-L1121 HydrophobicContact CG-CD1 3.96Å; L1117-L1121 WeakPolarHBondContact O-CB 3.17Å; L1117-L1121 WeakPolarHBondContact O-CG 3.17Å; L1117-L1121 PolarHBondContact O-N 2.99Å; L1117-I1187 HydrophobicContact CD2-CD1 4.3Å; L1117-I1187 HydrophobicContact CD2-CG2 4.37Å; L1117-L1196 HydrophobicContact CD2-CD1 4.31Å; L1117-L1196 HydrophobicContact CD2-CD2 4.16Å; L1117-L1200 HydrophobicContact CD1-CD1 4.33Å
1118T89.7Confident81.4Confident5 Ų527 Ų273%0.03117%0.165CC..Hα-helixtrans-65.2-40173.8-56.60000111.3I1114 P1115 P1116 C1122 L1141 F1183 F1258I1114-T1118 VanDerWaalsContact O-CB 3.28Å; I1114-T1118 WeakPolarHBondContact O-CB 3.43Å; I1114-T1118 PolarHBondContact O-N 2.84Å; I1114-T1118 PolarHBondContact O-OG1 3.36Å; P1115-T1118 WeakPolarHBondContact O-CB 3.41Å; P1115-T1118 PolarHBondContact O-N 2.79Å; P1116-T1118 VanDerWaalsContact C-N 3.34Å; P1116-T1118 PolarHBondContact O-N 2.82Å; T1118-C1122 WeakPolarHBondContact O-CB 3.36Å; T1118-C1122 PolarHBondContact O-N 2.92Å; T1118-C1122 PolarHBondContact O-SG 2.56Å; T1118-L1141 HydrophobicContact CG2-CD2 4.27Å; T1118-F1183 HydrophobicContact CG2-CD1 4.12Å; T1118-F1183 HydrophobicContact CG2-CE1 4.13Å; T1118-F1183 WeakPolarHBondContact OG1-CE1 3.29Å; T1118-F1258 HydrophobicContact CG2-CZ 4.31Å
1119I90.3Very high81.5Confident101 Ų10130 Ų3052%0.51819%0.189SC..Hα-helixtrans-64.7-48.8177.8-69.8164.1000110M1055 P1115 P1116 L1121 C1122 D1123M1055-I1119 HydrophobicContact SD-CG2 4.26Å; P1115-I1119 WeakPolarHBondContact O-CG1 3.4Å; P1115-I1119 PolarHBondContact O-N 2.7Å; P1116-I1119 PolarHBondContact O-N 2.76Å; I1119-L1121 PolarHBondContact O-N 3.45Å; I1119-C1122 PolarHBondContact O-N 2.92Å; I1119-C1122 VanDerWaalsContact O-N 3.12Å; I1119-D1123 PolarHBondContact O-N 3.38Å
1120L91.5Very high81.3Confident2 Ų237.7 Ų37.71%0.0122%0.222CC..Hα-helixtrans-58.9-44178.5-172.665.9000112.1M1055 V1056 V1059 P1116 C1122 D1123 F1219 L1234M1055-L1120 HydrophobicContact CB-CD1 3.93Å; M1055-L1120 HydrophobicContact CE-CD1 4.4Å; V1056-L1120 HydrophobicContact CG2-CD1 4.12Å; V1056-L1120 HydrophobicContact CG2-CD2 4.11Å; V1059-L1120 HydrophobicContact CG2-CD2 4.11Å; P1116-L1120 WeakPolarHBondContact O-CB 3.27Å; P1116-L1120 PolarHBondContact O-N 3.47Å; L1120-C1122 VanDerWaalsContact C-N 3.34Å; L1120-C1122 PolarHBondContact O-N 2.92Å; L1120-D1123 PolarHBondContact O-N 2.92Å; L1120-F1219 HydrophobicContact CD1-CB 4.31Å; L1120-F1219 HydrophobicContact CD1-CD1 3.58Å; L1120-F1219 HydrophobicContact CD1-CD2 4.29Å; L1120-F1219 HydrophobicContact CD1-CE1 3.93Å; L1120-F1219 HydrophobicContact CD1-CG 3.78Å; L1120-F1219 HydrophobicContact CD1-CZ 4.42Å; L1120-F1219 HydrophobicContact CD2-CD1 4.08Å; L1120-F1219 HydrophobicContact CD2-CE1 3.78Å; L1120-F1219 HydrophobicContact CD2-CZ 4.46Å; L1120-F1219 HydrophobicContact CG-CD1 3.71Å; L1120-F1219 HydrophobicContact CG-CE1 3.96Å; L1120-F1219 HydrophobicContact CG-CG 4.4Å; L1120-L1234 HydrophobicContact CD2-CD1 4.3Å; L1120-L1234 HydrophobicContact CD2-CD2 3.8Å
1121L90.6Very high80.7Confident1 Ų140.6 Ų40.61%0.00524%0.241CC..Hα-helixtrans-76.2-16177.4-73.4163.5000114L1117 I1119 L1141 F1183 W1199 L1203 Y1214 I1220L1117-L1121 HydrophobicContact CD1-CD1 4.02Å; L1117-L1121 HydrophobicContact CG-CD1 3.96Å; L1117-L1121 WeakPolarHBondContact O-CB 3.17Å; L1117-L1121 WeakPolarHBondContact O-CG 3.17Å; L1117-L1121 PolarHBondContact O-N 2.99Å; I1119-L1121 PolarHBondContact O-N 3.45Å; L1121-L1141 HydrophobicContact CB-CD1 4.39Å; L1121-F1183 HydrophobicContact CD1-CE2 4.45Å; L1121-F1183 HydrophobicContact CD1-CZ 3.73Å; L1121-W1199 HydrophobicContact CD1-CH2 4Å; L1121-W1199 HydrophobicContact CD1-CZ3 3.87Å; L1121-W1199 HydrophobicContact CD2-CH2 4.48Å; L1121-L1203 HydrophobicContact CD2-CD2 4.07Å; L1121-Y1214 WeakPolarHBondContact O-CE1 3.31Å; L1121-Y1214 PolarHBondContact O-OH 2.77Å; L1121-I1220 HydrophobicContact CD2-CD1 3.6Å; L1121-I1220 HydrophobicContact CD2-CG1 4.02Å
1122C88.8Confident80Confident41 Ų4145.3 Ų45.328%0.27727%0.265SS..Hα-helixtrans-85.5-13.1171-72.90000113.1T1118 I1119 L1120 G1124 L1125T1118-C1122 WeakPolarHBondContact O-CB 3.36Å; T1118-C1122 PolarHBondContact O-N 2.92Å; T1118-C1122 PolarHBondContact O-SG 2.56Å; I1119-C1122 PolarHBondContact O-N 2.92Å; I1119-C1122 VanDerWaalsContact O-N 3.12Å; L1120-C1122 VanDerWaalsContact C-N 3.34Å; L1120-C1122 PolarHBondContact O-N 2.92Å; C1122-G1124 PolarHBondContact O-N 2.95Å; C1122-L1125 WeakPolarHBondContact O-CB 3.25Å; C1122-L1125 PolarHBondContact O-N 3.44Å
1123D87.9Confident79Confident20 Ų2052.9 Ų52.911%0.10729%0.291CS..THydrogen-bonded Turntrans-64.9131-177.2-172.366.3000112.2R1051 Y1052 M1055 I1119 L1120 L1125 Y1214R1051-D1123 IonicContact CZ-OD1 2.65Å; R1051-D1123 IonicContact NH1-OD1 3.52Å; R1051-D1123 PolarHBondContact NH1-OD1 2.83Å; R1051-D1123 IonicContact NH1-OD2 3.07Å; R1051-D1123 IonicContact NH2-OD1 2.68Å; R1051-D1123 PolarHBondContact NH2-OD1 3.2Å; Y1052-D1123 WeakPolarHBondContact CE1-OD2 3.39Å; Y1052-D1123 VanDerWaalsContact CZ-OD2 3.3Å; Y1052-D1123 PolarHBondContact OH-OD2 2.9Å; M1055-D1123 HydrophobicContact CE-CB 4.35Å; I1119-D1123 PolarHBondContact O-N 3.38Å; L1120-D1123 PolarHBondContact O-N 2.92Å; D1123-L1125 PolarHBondContact O-N 3.03Å; D1123-L1125 VanDerWaalsContact O-N 3.08Å; D1123-Y1214 WeakPolarHBondContact O-CD1 3.47Å; D1123-Y1214 WeakPolarHBondContact O-CE1 3.28Å
1124G84.7Confident77.4Confident25 Ų2556.1 Ų56.126%0.25831%0.311SS..THydrogen-bonded Turntrans60.813.5-177.200000115.2C1122 L1126 Y1214 C1215C1122-G1124 PolarHBondContact O-N 2.95Å; G1124-L1126 PolarHBondContact O-N 3Å; G1124-Y1214 WeakPolarHBondContact O-CA 3.45Å; G1124-C1215 PolarHBondContact O-N 3.44Å; G1124-C1215 PolarHBondContact O-SG 3.07Å
1125L87.9Confident75.5Confident30 Ų3061.5 Ų61.516%0.15735%0.349CS..BIsolated β-bridgetrans-67.9123.1176.6-172.877.5000110.2C1122 D1123 R1140 L1141 F1213 Y1214C1122-L1125 WeakPolarHBondContact O-CB 3.25Å; C1122-L1125 PolarHBondContact O-N 3.44Å; D1123-L1125 PolarHBondContact O-N 3.03Å; D1123-L1125 VanDerWaalsContact O-N 3.08Å; L1125-R1140 HydrophobicContact CD2-CB 4.29Å; L1125-R1140 HydrophobicContact CG-CB 4.5Å; L1125-L1141 HydrophobicContact CD2-CB 4.11Å; L1125-F1213 HydrophobicContact CD1-CB 4.37Å; L1125-Y1214 HydrophobicContact CB-CD1 4.27Å; L1125-Y1214 HydrophobicContact CB-CE1 3.99Å; L1125-Y1214 HydrophobicContact CD1-CD1 4.19Å; L1125-Y1214 HydrophobicContact CD1-CE1 3.75Å; L1125-Y1214 HydrophobicContact CD1-CE2 4.2Å
1126L84.9Confident73.6Confident53 Ų5370.5 Ų70.528%0.27738%0.381SS..PPolyproline II helixtrans-63.4139.9-178-71.1167.8000111.5G1124 R1140 F1213 C1215G1124-L1126 PolarHBondContact O-N 3Å; L1126-R1140 WeakPolarHBondContact O-CD 3.41Å; L1126-F1213 WeakPolarHBondContact CB-O 3.34Å; L1126-F1213 PolarHBondContact N-O 3.26Å; L1126-C1215 VanDerWaalsContact CD2-SG 3.53Å
1127P73Confident71.6Confident91 Ų9175.1 Ų75.159%0.59141%0.411SS*.PPolyproline II helixtrans-62.5156.3177.326.1-34.3000111.8S1129P1127-S1129 PolarHBondContact O-N 3.48Å
1128P65.9Low69.8Low39 Ų3981.7 Ų81.725%0.25344%0.436SS..PPolyproline II helixtrans-61.1127.4176.128.3-36.5000110K1130 R1138 R1140P1128-K1130 PolarHBondContact O-N 2.87Å; P1128-R1138 VanDerWaalsContact CD-O 3.26Å; P1128-R1138 WeakPolarHBondContact CD-O 3.19Å; P1128-R1138 VanDerWaalsContact CG-O 3.23Å; P1128-R1138 WeakPolarHBondContact CG-O 3.44Å; P1128-R1140 HydrophobicContact CB-CG 4.45Å
1129S60.4Low68.6Low93 Ų9383.5 Ų83.565%0.6545%0.447SS*.SBendtrans-61.993.5-179.8490000111.8P1127 R1140P1127-S1129 PolarHBondContact O-N 3.48Å; S1129-R1140 PolarHBondContact OG-NH2 2.96Å
1130K54.9Low68Low170 Ų17080.6 Ų80.674%0.73943%0.43SS*.  trans46.781174.1-65-176179.8-1800114.5P1128 I1132P1128-K1130 PolarHBondContact O-N 2.87Å; K1130-I1132 PolarHBondContact O-N 3.5Å
1131P52.6Low67.7Low64 Ų6480.5 Ų80.542%0.41643%0.429SS..  trans-66.892.1164.128.7-33.6000110.5F1133 T1134P1131-F1133 PolarHBondContact O-N 3.12Å; P1131-T1134 WeakPolarHBondContact CB-OG1 3.44Å
1132I53.8Low67.6Low140 Ų14081.1 Ų81.172%0.71843%0.431SS*.THydrogen-bonded Turntrans-57.6-22.8-175.7-55.5178.1000112.4K1130K1130-I1132 PolarHBondContact O-N 3.5Å
1133F56.2Low67.5Low195 Ų19582.9 Ų82.986%0.85544%0.436SS*.THydrogen-bonded Turntrans-130.95.4-171.5-62.9-70.7000116.9P1131P1131-F1133 PolarHBondContact O-N 3.12Å
1134T53.8Low67.5Low70 Ų7082 Ų8243%0.42943%0.431SS..  trans-127.7122.5-177.2650000114.2P1131 R1136P1131-T1134 WeakPolarHBondContact CB-OG1 3.44Å; T1134-R1136 VanDerWaalsContact C-N 3.33Å; T1134-R1136 PolarHBondContact O-N 3.18Å
1135S48.5Very low67.8Low117 Ų11780.8 Ų80.882%0.81842%0.418SS*.SBendtrans-86.827.5-169.663.60000116
1136R48.9Very low67.8Low205 Ų20582.1 Ų82.177%0.77442%0.424SS*.SBendtrans-136136.2171.8-74.8-171.7174.5-171.2-2109.5T1134 R1138T1134-R1136 VanDerWaalsContact C-N 3.33Å; T1134-R1136 PolarHBondContact O-N 3.18Å; R1136-R1138 PolarHBondContact O-N 3.03Å; R1136-R1138 VanDerWaalsContact O-N 3.09Å
1137P47.9Very low67.8Low115 Ų11581 Ų8175%0.74742%0.417SS*.  trans-66110.317227.9-32.5000108.9
1138R54Low68.5Low138 Ų13877 Ų7752%0.52139%0.391SS..  trans-86.4131.7170-93.4-179162.8154.8-3.4109.2P1128 R1136 E1179P1128-R1138 VanDerWaalsContact CD-O 3.26Å; P1128-R1138 WeakPolarHBondContact CD-O 3.19Å; P1128-R1138 VanDerWaalsContact CG-O 3.23Å; P1128-R1138 WeakPolarHBondContact CG-O 3.44Å; R1136-R1138 PolarHBondContact O-N 3.03Å; R1136-R1138 VanDerWaalsContact O-N 3.09Å; R1138-E1179 VanDerWaalsContact CA-OE2 3.31Å; R1138-E1179 WeakPolarHBondContact CA-OE2 3.43Å; R1138-E1179 VanDerWaalsContact CB-OE1 3.27Å; R1138-E1179 WeakPolarHBondContact CB-OE1 3.47Å; R1138-E1179 VanDerWaalsContact CB-OE2 3.27Å; R1138-E1179 WeakPolarHBondContact CB-OE2 3.39Å; R1138-E1179 WeakPolarHBondContact CD-OE1 3.43Å; R1138-E1179 VanDerWaalsContact CG-OE1 3.25Å; R1138-E1179 WeakPolarHBondContact CG-OE1 3.32Å; R1138-E1179 WeakPolarHBondContact CG-OE2 3.32Å; R1138-E1179 IonicContact NE-OE1 3.85Å
1139T63.9Low69.4Low44 Ų4475.3 Ų75.327%0.2738%0.381SS..  trans-80125.4-178.545.50000109.2L1141 E1179T1139-L1141 PolarHBondContact O-N 3.24Å; T1139-E1179 PolarHBondContact N-OE2 3.12Å; T1139-E1179 PolarHBondContact OG1-OE2 3.46Å
1140R77.4Confident70.3Confident40 Ų4077.6 Ų77.615%0.15138%0.375CS..THydrogen-bonded Turntrans-59.7-2.6175.9-86.3178.2160.3-175.5-1.8114.7L1125 L1126 P1128 S1129 W1142 Q1143 L1144 R1212 F1213L1125-R1140 HydrophobicContact CD2-CB 4.29Å; L1125-R1140 HydrophobicContact CG-CB 4.5Å; L1126-R1140 WeakPolarHBondContact O-CD 3.41Å; P1128-R1140 HydrophobicContact CB-CG 4.45Å; S1129-R1140 PolarHBondContact OG-NH2 2.96Å; R1140-W1142 PolarHBondContact O-N 3.12Å; R1140-Q1143 CarbonylContact O-C 3.59Å; R1140-Q1143 WeakPolarHBondContact O-CA 3.41Å; R1140-Q1143 WeakPolarHBondContact O-CB 3.4Å; R1140-Q1143 PolarHBondContact O-N 3.44Å; R1140-L1144 PolarHBondContact O-N 3.43Å; R1140-R1212 PolarHBondContact NH1-O 2.92Å; R1140-F1213 HydrophobicContact CB-CD1 3.93Å; R1140-F1213 HydrophobicContact CB-CE1 4.05Å; R1140-F1213 HydrophobicContact CG-CD1 4.37Å; R1140-F1213 HydrophobicContact CG-CE1 4.25Å
1141L85.6Confident70.7Confident0 Ų074 Ų740%037%0.369CS..Hα-helixtrans-55.4-40.1-176.4-17367.6000114T1118 L1121 L1125 T1139 L1144 V1145 F1183T1118-L1141 HydrophobicContact CG2-CD2 4.27Å; L1121-L1141 HydrophobicContact CB-CD1 4.39Å; L1125-L1141 HydrophobicContact CD2-CB 4.11Å; T1139-L1141 PolarHBondContact O-N 3.24Å; L1141-L1144 HydrophobicContact CD1-CD2 4.28Å; L1141-L1144 WeakPolarHBondContact O-CB 3.43Å; L1141-L1144 PolarHBondContact O-N 3.38Å; L1141-V1145 PolarHBondContact O-N 3.05Å; L1141-F1183 HydrophobicContact CD1-CD2 4.06Å; L1141-F1183 HydrophobicContact CD1-CE2 3.91Å; L1141-F1183 HydrophobicContact CD1-CZ 4.39Å; L1141-F1183 HydrophobicContact CD2-CB 3.96Å; L1141-F1183 HydrophobicContact CD2-CD1 3.7Å; L1141-F1183 HydrophobicContact CD2-CD2 3.67Å; L1141-F1183 HydrophobicContact CD2-CE1 4.11Å; L1141-F1183 HydrophobicContact CD2-CE2 4.1Å; L1141-F1183 HydrophobicContact CD2-CG 3.46Å; L1141-F1183 VanDerWaalsContact CD2-CG 3.46Å; L1141-F1183 HydrophobicContact CD2-CZ 4.3Å; L1141-F1183 HydrophobicContact CG-CB 4.4Å; L1141-F1183 HydrophobicContact CG-CD2 3.59Å; L1141-F1183 HydrophobicContact CG-CE2 3.98Å; L1141-F1183 HydrophobicContact CG-CG 3.91Å
1142W88.5Confident71Confident14 Ų1475 Ų755%0.05339%0.392CS..Hα-helixtrans-70.4-38.7175.1-174.8-105.2000112R1140 L1144 V1145 E1146 V1170 E1179 K1182 F1186R1140-W1142 PolarHBondContact O-N 3.12Å; W1142-L1144 VanDerWaalsContact C-N 3.32Å; W1142-L1144 PolarHBondContact O-N 2.94Å; W1142-V1145 HydrophobicContact CE3-CB 4.4Å; W1142-V1145 HydrophobicContact CE3-CG1 4.43Å; W1142-V1145 HydrophobicContact CH2-CG1 4.37Å; W1142-V1145 HydrophobicContact CZ3-CB 4.49Å; W1142-V1145 HydrophobicContact CZ3-CG1 4.04Å; W1142-V1145 PolarHBondContact O-N 3.42Å; W1142-E1146 HydrophobicContact CZ2-CG 4.18Å; W1142-E1146 PolarHBondContact NE1-OE1 3.43Å; W1142-E1146 PolarHBondContact NE1-OE2 2.63Å; W1142-E1146 WeakPolarHBondContact O-CG 3.34Å; W1142-E1146 PolarHBondContact O-N 3.02Å; W1142-V1170 HydrophobicContact CH2-CB 4.05Å; W1142-V1170 HydrophobicContact CH2-CG1 3.54Å; W1142-V1170 HydrophobicContact CZ2-CG1 4.17Å; W1142-V1170 HydrophobicContact CZ3-CG1 4.11Å; W1142-E1179 HydrophobicContact CB-CB 4.09Å; W1142-E1179 HydrophobicContact CB-CG 4.1Å; W1142-K1182 HydrophobicContact CD2-CB 3.57Å; W1142-K1182 HydrophobicContact CD2-CD 3.86Å; W1142-K1182 HydrophobicContact CD2-CG 4.37Å; W1142-K1182 HydrophobicContact CE3-CB 3.38Å; W1142-K1182 HydrophobicContact CG-CB 4.25Å; W1142-K1182 HydrophobicContact CG-CD 4.12Å; W1142-K1182 HydrophobicContact CH2-CB 4.12Å; W1142-K1182 HydrophobicContact CZ2-CB 4.28Å; W1142-K1182 HydrophobicContact CZ2-CD 4.13Å; W1142-K1182 HydrophobicContact CZ3-CB 3.67Å; W1142-K1182 WeakPolarHBondContact CZ3-O 3.23Å; W1142-F1186 HydrophobicContact CH2-CB 4.25Å; W1142-F1186 HydrophobicContact CZ3-CB 3.76Å; W1142-F1186 HydrophobicContact CZ3-CG 4.4Å
1143Q85.9Confident71.4Confident78 Ų7869 Ų6936%0.36436%0.362SS..Hα-helixtrans-65.7-37175.5-167-1753.400111.3R1140 E1146 E1147 F1213R1140-Q1143 CarbonylContact O-C 3.59Å; R1140-Q1143 WeakPolarHBondContact O-CA 3.41Å; R1140-Q1143 WeakPolarHBondContact O-CB 3.4Å; R1140-Q1143 PolarHBondContact O-N 3.44Å; Q1143-E1146 PolarHBondContact O-N 3.18Å; Q1143-E1147 HydrophobicContact CG-CG 4.32Å; Q1143-E1147 VanDerWaalsContact O-CG 3.25Å; Q1143-E1147 WeakPolarHBondContact O-CG 3.45Å; Q1143-E1147 PolarHBondContact O-N 3.03Å; Q1143-F1213 HydrophobicContact CB-CE1 4.14Å; Q1143-F1213 HydrophobicContact CB-CZ 4.42Å; Q1143-F1213 HydrophobicContact CG-CE1 4.11Å; Q1143-F1213 HydrophobicContact CG-CZ 3.97Å
1144L89.3Confident71.6Confident0 Ų064.5 Ų64.50%035%0.347CS..Hα-helixtrans-56.2-50.8172.4-176.892.6000110.8R1140 L1141 W1142 E1147 S1148 L1203 L1209 F1213 Y1214R1140-L1144 PolarHBondContact O-N 3.43Å; L1141-L1144 HydrophobicContact CD1-CD2 4.28Å; L1141-L1144 WeakPolarHBondContact O-CB 3.43Å; L1141-L1144 PolarHBondContact O-N 3.38Å; W1142-L1144 VanDerWaalsContact C-N 3.32Å; W1142-L1144 PolarHBondContact O-N 2.94Å; L1144-E1147 PolarHBondContact O-N 3.46Å; L1144-S1148 VanDerWaalsContact O-CB 3.26Å; L1144-S1148 WeakPolarHBondContact O-CB 3.37Å; L1144-S1148 PolarHBondContact O-N 3.08Å; L1144-S1148 PolarHBondContact O-OG 2.89Å; L1144-L1203 HydrophobicContact CD1-CD1 4.25Å; L1144-L1203 HydrophobicContact CD2-CD1 4.14Å; L1144-L1203 HydrophobicContact CD2-CD2 4.14Å; L1144-L1203 HydrophobicContact CG-CD1 4.08Å; L1144-L1209 HydrophobicContact CD1-CD2 3.39Å; L1144-L1209 HydrophobicContact CG-CD2 4.16Å; L1144-F1213 HydrophobicContact CB-CD1 4.32Å; L1144-F1213 HydrophobicContact CD1-CB 3.39Å; L1144-F1213 HydrophobicContact CD1-CD1 4.07Å; L1144-F1213 HydrophobicContact CD1-CD2 3.93Å; L1144-F1213 HydrophobicContact CD1-CG 3.55Å; L1144-Y1214 HydrophobicContact CD1-CD2 4.23Å; L1144-Y1214 HydrophobicContact CD1-CE2 3.58Å; L1144-Y1214 HydrophobicContact CD2-CE2 3.94Å; L1144-Y1214 WeakPolarHBondContact CD2-OH 3.5Å; L1144-Y1214 HydrophobicContact CG-CE2 4.44Å
1145V90.1Very high72Confident0 Ų061.8 Ų61.80%033%0.331CS..Hα-helixtrans-57.3-50.6175.8169.30000110.7L1141 W1142 E1147 S1148 C1149 I1167 F1183 F1186 W1199L1141-V1145 PolarHBondContact O-N 3.05Å; W1142-V1145 HydrophobicContact CE3-CB 4.4Å; W1142-V1145 HydrophobicContact CE3-CG1 4.43Å; W1142-V1145 HydrophobicContact CH2-CG1 4.37Å; W1142-V1145 HydrophobicContact CZ3-CB 4.49Å; W1142-V1145 HydrophobicContact CZ3-CG1 4.04Å; W1142-V1145 PolarHBondContact O-N 3.42Å; V1145-E1147 PolarHBondContact O-N 2.95Å; V1145-S1148 WeakPolarHBondContact CA-OG 3.45Å; V1145-S1148 PolarHBondContact O-N 2.79Å; V1145-S1148 VanDerWaalsContact O-N 3.14Å; V1145-S1148 PolarHBondContact O-OG 2.95Å; V1145-C1149 PolarHBondContact O-N 3.41Å; V1145-I1167 HydrophobicContact CG1-CD1 3.76Å; V1145-I1167 HydrophobicContact CG1-CG1 4.12Å; V1145-F1183 HydrophobicContact CG2-CD2 3.85Å; V1145-F1183 HydrophobicContact CG2-CE2 4.05Å; V1145-F1186 HydrophobicContact CG1-CD1 3.76Å; V1145-F1186 HydrophobicContact CG1-CD2 3.88Å; V1145-F1186 HydrophobicContact CG1-CE1 3.74Å; V1145-F1186 HydrophobicContact CG1-CE2 3.87Å; V1145-F1186 HydrophobicContact CG1-CG 3.82Å; V1145-F1186 HydrophobicContact CG1-CZ 3.79Å; V1145-F1186 HydrophobicContact CG2-CD1 3.97Å; V1145-F1186 HydrophobicContact CG2-CE1 4Å; V1145-W1199 HydrophobicContact CG2-CH2 4.37Å; V1145-W1199 HydrophobicContact CG2-CZ2 3.79Å
1146E88.3Confident72.8Confident59 Ų5962 Ų6228%0.27633%0.327SS..Hα-helixtrans-61.5-38-179.3-73-176141.900113.8W1142 Q1143 R1150 K1171W1142-E1146 HydrophobicContact CZ2-CG 4.18Å; W1142-E1146 PolarHBondContact NE1-OE1 3.43Å; W1142-E1146 PolarHBondContact NE1-OE2 2.63Å; W1142-E1146 WeakPolarHBondContact O-CG 3.34Å; W1142-E1146 PolarHBondContact O-N 3.02Å; Q1143-E1146 PolarHBondContact O-N 3.18Å; E1146-R1150 WeakPolarHBondContact O-CG 3.26Å; E1146-K1171 WeakPolarHBondContact OE1-CE 3.25Å; E1146-K1171 IonicContact OE1-NZ 2.66Å; E1146-K1171 PolarHBondContact OE1-NZ 3.18Å; E1146-K1171 VanDerWaalsContact OE1-NZ 3.13Å
1147E85.8Confident74.1Confident28 Ų2854.6 Ų54.613%0.13131%0.314CS..Hα-helixtrans-75.8-31.6174.9-57.8-73.5100.900111.9Q1143 L1144 V1145 C1149 R1150 L1209 R1212 F1213Q1143-E1147 HydrophobicContact CG-CG 4.32Å; Q1143-E1147 VanDerWaalsContact O-CG 3.25Å; Q1143-E1147 WeakPolarHBondContact O-CG 3.45Å; Q1143-E1147 PolarHBondContact O-N 3.03Å; L1144-E1147 PolarHBondContact O-N 3.46Å; V1145-E1147 PolarHBondContact O-N 2.95Å; E1147-C1149 VanDerWaalsContact C-N 3.3Å; E1147-C1149 PolarHBondContact O-N 3.33Å; E1147-R1150 PolarHBondContact O-N 3.29Å; E1147-R1150 IonicContact OE1-CZ 2.61Å; E1147-R1150 IonicContact OE1-NE 2.71Å; E1147-R1150 PolarHBondContact OE1-NE 3.08Å; E1147-R1150 IonicContact OE1-NH2 3.13Å; E1147-R1150 PolarHBondContact OE1-NH2 3.31Å; E1147-R1150 IonicContact OE2-NE 3.16Å; E1147-L1209 HydrophobicContact CB-CD1 4.06Å; E1147-R1212 IonicContact OE2-CZ 2.71Å; E1147-R1212 IonicContact OE2-NH1 3.57Å; E1147-R1212 PolarHBondContact OE2-NH1 3.27Å; E1147-R1212 IonicContact OE2-NH2 3.44Å; E1147-F1213 HydrophobicContact CB-CE2 4.3Å; E1147-F1213 HydrophobicContact CG-CE2 4.03Å; E1147-F1213 HydrophobicContact CG-CZ 3.91Å
1148S87.2Confident75.8Confident7 Ų754.5 Ų54.55%0.04931%0.312CS..Hα-helixtrans-69.6-25.6-177.6700000114L1144 V1145 A1153 W1199 L1209L1144-S1148 VanDerWaalsContact O-CB 3.26Å; L1144-S1148 WeakPolarHBondContact O-CB 3.37Å; L1144-S1148 PolarHBondContact O-N 3.08Å; L1144-S1148 PolarHBondContact O-OG 2.89Å; V1145-S1148 WeakPolarHBondContact CA-OG 3.45Å; V1145-S1148 PolarHBondContact O-N 2.79Å; V1145-S1148 VanDerWaalsContact O-N 3.14Å; V1145-S1148 PolarHBondContact O-OG 2.95Å; S1148-A1153 WeakPolarHBondContact O-CB 3.23Å; S1148-W1199 PolarHBondContact OG-NE1 2.89Å; S1148-L1209 VanDerWaalsContact CA-CD1 3.45Å
1149C85Confident77.1Confident5 Ų549 Ų493%0.03430%0.295CS..THydrogen-bonded Turntrans-111.123.3179.7-52.60000112.3V1145 E1147 Y1160 L1163 I1167V1145-C1149 PolarHBondContact O-N 3.41Å; E1147-C1149 VanDerWaalsContact C-N 3.3Å; E1147-C1149 PolarHBondContact O-N 3.33Å; C1149-Y1160 WeakPolarHBondContact O-CE2 3.48Å; C1149-L1163 HydrophobicContact CB-CB 4.28Å; C1149-I1167 HydrophobicContact CB-CD1 3.53Å; C1149-I1167 HydrophobicContact CB-CG1 4.47Å
1150R79.2Confident78.1Confident141 Ų14149.2 Ų49.253%0.53229%0.291SS..SBendtrans-72.4146.8167.1-76.2-177.2-178.1-101.95.3110.1E1146 E1147 G1152 A1153E1146-R1150 WeakPolarHBondContact O-CG 3.26Å; E1147-R1150 PolarHBondContact O-N 3.29Å; E1147-R1150 IonicContact OE1-CZ 2.61Å; E1147-R1150 IonicContact OE1-NE 2.71Å; E1147-R1150 PolarHBondContact OE1-NE 3.08Å; E1147-R1150 IonicContact OE1-NH2 3.13Å; E1147-R1150 PolarHBondContact OE1-NH2 3.31Å; E1147-R1150 IonicContact OE2-NE 3.16Å; R1150-G1152 PolarHBondContact O-N 3.32Å; R1150-A1153 VanDerWaalsContact O-CB 3.29Å; R1150-A1153 WeakPolarHBondContact O-CB 3.32Å; R1150-A1153 PolarHBondContact O-N 3.06Å
1151P62Low78.5Confident93 Ų9353.3 Ų53.360%0.60431%0.312SS*.THydrogen-bonded Turntrans-61.2131.6165.428.1-31.9000108.7Y1160P1151-Y1160 HydrophobicContact CB-CD2 4.46Å; P1151-Y1160 HydrophobicContact CB-CE1 4.29Å; P1151-Y1160 HydrophobicContact CB-CE2 3.92Å; P1151-Y1160 HydrophobicContact CG-CE2 4.25Å
1152G60.7Low78.7Confident87 Ų8755.3 Ų55.390%0.89732%0.324SS*.THydrogen-bonded Turntrans89.7-4.3-171.100000115R1150R1150-G1152 PolarHBondContact O-N 3.32Å
1153A60.7Low78.9Confident13 Ų1354.7 Ų54.711%0.10732%0.322CS..SBendtrans-74.5170.5147.700000109.2S1148 R1150 P1155S1148-A1153 WeakPolarHBondContact O-CB 3.23Å; R1150-A1153 VanDerWaalsContact O-CB 3.29Å; R1150-A1153 WeakPolarHBondContact O-CB 3.32Å; R1150-A1153 PolarHBondContact O-N 3.06Å; A1153-P1155 WeakPolarHBondContact O-CD 3.47Å
1154L60.3Low79.1Confident100 Ų10053.8 Ų53.852%0.52432%0.319SS..SBendtrans-60.7-26.4-167-143.675.7000118.5T1156 A1205L1154-T1156 PolarHBondContact O-N 3.29Å; L1154-A1205 HydrophobicContact CD2-CB 3.32Å
1155P62.2Low79.1Confident14 Ų1457.7 Ų57.79%0.09134%0.341CS..  trans-70.4119.2176.827.4-32.7000110.9A1153 A1159 Y1160 L1163A1153-P1155 WeakPolarHBondContact O-CD 3.47Å; P1155-A1159 HydrophobicContact CB-CB 3.8Å; P1155-Y1160 WeakPolarHBondContact O-CB 3.4Å; P1155-L1163 HydrophobicContact CB-CD1 4.29Å; P1155-L1163 HydrophobicContact CG-CD1 4.26Å
1156T66.8Low79.2Confident121 Ų12157.7 Ų57.774%0.74234%0.341SS*.  trans-98.8162.4170.952.20000111.2L1154 V1158 A1159L1154-T1156 PolarHBondContact O-N 3.29Å; T1156-V1158 PolarHBondContact O-N 3.42Å; T1156-A1159 PolarHBondContact O-N 2.79Å
1157G76.3Confident79.3Confident49 Ų4955.1 Ų55.151%0.50533%0.329SS..Hα-helixtrans51.8-132.717400000114.6A1159 Y1160 H1161G1157-A1159 PolarHBondContact O-N 3.33Å; G1157-Y1160 WeakPolarHBondContact O-CB 3.43Å; G1157-Y1160 PolarHBondContact O-N 3.4Å; G1157-H1161 PolarHBondContact O-CD2 3.33Å; G1157-H1161 PolarHBondContact O-N 3.12Å
1158V81.9Confident79.5Confident114 Ų11456.1 Ų56.169%0.69134%0.339SS*.Hα-helixtrans-54.3-37.8-174.8-176.80000112.7T1156 Y1160 H1161 V1162T1156-V1158 PolarHBondContact O-N 3.42Å; V1158-Y1160 VanDerWaalsContact C-N 3.31Å; V1158-Y1160 PolarHBondContact O-N 3.22Å; V1158-H1161 PolarHBondContact O-N 3.25Å; V1158-V1162 HydrophobicContact CG1-CG2 4.16Å; V1158-V1162 WeakPolarHBondContact O-CG2 3.44Å; V1158-V1162 PolarHBondContact O-N 2.74Å
1159A82Confident79.6Confident21 Ų2159.1 Ų59.117%0.17435%0.352CS..Hα-helixtrans-61.3-39.8179.600000112.1P1155 T1156 G1157 L1163 M1198P1155-A1159 HydrophobicContact CB-CB 3.8Å; T1156-A1159 PolarHBondContact O-N 2.79Å; G1157-A1159 PolarHBondContact O-N 3.33Å; A1159-L1163 WeakPolarHBondContact O-CB 3.27Å; A1159-L1163 WeakPolarHBondContact O-CG 3.13Å; A1159-L1163 PolarHBondContact O-N 3.03Å; A1159-L1163 VanDerWaalsContact O-N 3.16Å; A1159-M1198 HydrophobicContact CB-CG 4.27Å; A1159-M1198 HydrophobicContact CB-SD 3.55Å; A1159-M1198 VanDerWaalsContact CB-SD 3.55Å
1160Y85Confident79.8Confident50 Ų5058.9 Ų58.920%0.19635%0.35CS..Hα-helixtrans-63.9-46.5174.6170.3-110.6000111.5C1149 P1151 P1155 G1157 V1158 V1162 L1163 N1164C1149-Y1160 WeakPolarHBondContact O-CE2 3.48Å; P1151-Y1160 HydrophobicContact CB-CD2 4.46Å; P1151-Y1160 HydrophobicContact CB-CE1 4.29Å; P1151-Y1160 HydrophobicContact CB-CE2 3.92Å; P1151-Y1160 HydrophobicContact CG-CE2 4.25Å; P1155-Y1160 WeakPolarHBondContact O-CB 3.4Å; G1157-Y1160 WeakPolarHBondContact O-CB 3.43Å; G1157-Y1160 PolarHBondContact O-N 3.4Å; V1158-Y1160 VanDerWaalsContact C-N 3.31Å; V1158-Y1160 PolarHBondContact O-N 3.22Å; Y1160-V1162 PolarHBondContact O-N 3.45Å; Y1160-L1163 PolarHBondContact O-N 3.44Å; Y1160-N1164 HydrophobicContact CD2-CB 4.39Å; Y1160-N1164 HydrophobicContact CE2-CB 3.89Å; Y1160-N1164 WeakPolarHBondContact O-CB 3.24Å; Y1160-N1164 PolarHBondContact O-N 2.96Å; Y1160-N1164 PolarHBondContact OH-OD1 3.32Å
1161H86.4Confident80.2Confident125 Ų12557.1 Ų57.158%0.57935%0.347SS*.Hα-helixtrans-60.6-46.2-178.7-69.4-71.3000112.4G1157 V1158 N1164 D1165G1157-H1161 PolarHBondContact O-CD2 3.33Å; G1157-H1161 PolarHBondContact O-N 3.12Å; V1158-H1161 PolarHBondContact O-N 3.25Å; H1161-N1164 PolarHBondContact O-N 2.92Å; H1161-D1165 WeakPolarHBondContact O-CB 3.5Å; H1161-D1165 PolarHBondContact O-N 3.17Å
1162V89.7Confident81.4Confident43 Ų4356.1 Ų56.126%0.26135%0.346SS..Hα-helixtrans-64.3-43.1179.4176.20000111.8V1158 Y1160 D1165 A1166 A1193 A1195V1158-V1162 HydrophobicContact CG1-CG2 4.16Å; V1158-V1162 WeakPolarHBondContact O-CG2 3.44Å; V1158-V1162 PolarHBondContact O-N 2.74Å; Y1160-V1162 PolarHBondContact O-N 3.45Å; V1162-D1165 PolarHBondContact O-N 2.78Å; V1162-A1166 WeakPolarHBondContact O-CB 3.48Å; V1162-A1166 PolarHBondContact O-N 3.42Å; V1162-A1193 HydrophobicContact CG1-CB 3.81Å; V1162-A1195 HydrophobicContact CG1-CB 3.77Å
1163L91.6Very high82.6Confident1 Ų153.3 Ų53.31%0.00531%0.31CS..Hα-helixtrans-73.7-34.1-179.8-65.1176.6000112.9C1149 P1155 A1159 Y1160 I1167 A1195 W1199C1149-L1163 HydrophobicContact CB-CB 4.28Å; P1155-L1163 HydrophobicContact CB-CD1 4.29Å; P1155-L1163 HydrophobicContact CG-CD1 4.26Å; A1159-L1163 WeakPolarHBondContact O-CB 3.27Å; A1159-L1163 WeakPolarHBondContact O-CG 3.13Å; A1159-L1163 PolarHBondContact O-N 3.03Å; A1159-L1163 VanDerWaalsContact O-N 3.16Å; Y1160-L1163 PolarHBondContact O-N 3.44Å; L1163-I1167 PolarHBondContact O-N 3.2Å; L1163-I1167 VanDerWaalsContact O-N 3.07Å; L1163-A1195 HydrophobicContact CD2-CB 3.93Å; L1163-W1199 HydrophobicContact CD1-CB 4.36Å; L1163-W1199 HydrophobicContact CD2-CB 3.75Å; L1163-W1199 HydrophobicContact CD2-CG 4.37Å
1164N90.1Very high83.1Confident58 Ų5859.1 Ų59.131%0.3135%0.345SS..Hα-helixtrans-70.3-35.6174.1-178.277.3000111.8Y1160 H1161 I1167 S1168Y1160-N1164 HydrophobicContact CD2-CB 4.39Å; Y1160-N1164 HydrophobicContact CE2-CB 3.89Å; Y1160-N1164 WeakPolarHBondContact O-CB 3.24Å; Y1160-N1164 PolarHBondContact O-N 2.96Å; Y1160-N1164 PolarHBondContact OH-OD1 3.32Å; H1161-N1164 PolarHBondContact O-N 2.92Å; N1164-I1167 PolarHBondContact O-N 3.2Å; N1164-S1168 WeakPolarHBondContact O-CB 3.44Å; N1164-S1168 PolarHBondContact O-N 2.89Å; N1164-S1168 PolarHBondContact O-OG 3.48Å
1165D90.9Very high83.7Confident83 Ų8359.7 Ų59.744%0.44435%0.348SS..Hα-helixtrans-65.6-46.8171.4-174.559.7000111.4H1161 V1162 I1167 S1168 Q1169H1161-D1165 WeakPolarHBondContact O-CB 3.5Å; H1161-D1165 PolarHBondContact O-N 3.17Å; V1162-D1165 PolarHBondContact O-N 2.78Å; D1165-I1167 VanDerWaalsContact C-N 3.25Å; D1165-I1167 PolarHBondContact O-N 2.9Å; D1165-S1168 CarbonylContact O-C 3.5Å; D1165-S1168 WeakPolarHBondContact O-CA 3.39Å; D1165-S1168 WeakPolarHBondContact O-CB 3.48Å; D1165-S1168 PolarHBondContact O-N 2.87Å; D1165-Q1169 WeakPolarHBondContact O-CG 3.3Å; D1165-Q1169 PolarHBondContact O-N 3.02Å; D1165-Q1169 PolarHBondContact OD2-NE2 2.81Å
1166A91.1Very high84.3Confident0 Ų059.6 Ų59.60%035%0.347CS..Hα-helixtrans-55.7-37.9174.800000113V1162 V1170 F1186 A1189V1162-A1166 WeakPolarHBondContact O-CB 3.48Å; V1162-A1166 PolarHBondContact O-N 3.42Å; A1166-V1170 WeakPolarHBondContact O-CG2 3.43Å; A1166-V1170 PolarHBondContact O-N 3.27Å; A1166-F1186 HydrophobicContact CB-CD2 4.4Å; A1166-F1186 HydrophobicContact CB-CE2 4.28Å; A1166-A1189 HydrophobicContact CB-CB 3.79Å
1167I90.9Very high84.5Confident5 Ų559.7 Ų59.73%0.02635%0.347CS..Hα-helixtrans-69.7-39.1170.9-75.1-169.7000112.2V1145 C1149 L1163 N1164 D1165 V1170 K1171 F1186V1145-I1167 HydrophobicContact CG1-CD1 3.76Å; V1145-I1167 HydrophobicContact CG1-CG1 4.12Å; C1149-I1167 HydrophobicContact CB-CD1 3.53Å; C1149-I1167 HydrophobicContact CB-CG1 4.47Å; L1163-I1167 PolarHBondContact O-N 3.2Å; L1163-I1167 VanDerWaalsContact O-N 3.07Å; N1164-I1167 PolarHBondContact O-N 3.2Å; D1165-I1167 VanDerWaalsContact C-N 3.25Å; D1165-I1167 PolarHBondContact O-N 2.9Å; I1167-V1170 PolarHBondContact O-N 3.25Å; I1167-K1171 HydrophobicContact CG2-CD 3.65Å; I1167-K1171 VanDerWaalsContact CG2-CE 3.45Å; I1167-K1171 HydrophobicContact CG2-CG 4.19Å; I1167-K1171 WeakPolarHBondContact O-CB 3.47Å; I1167-K1171 WeakPolarHBondContact O-CG 3.47Å; I1167-K1171 PolarHBondContact O-N 3.12Å; I1167-F1186 HydrophobicContact CD1-CE2 4.39Å; I1167-F1186 HydrophobicContact CG1-CD2 3.79Å; I1167-F1186 HydrophobicContact CG1-CE2 3.67Å
1168S90Very high84.7Confident49 Ų4962.1 Ų62.134%0.34335%0.348SS..Hα-helixtrans-64.8-42.6-179.9-61.30000111.7N1164 D1165 V1170 K1171 A1172N1164-S1168 WeakPolarHBondContact O-CB 3.44Å; N1164-S1168 PolarHBondContact O-N 2.89Å; N1164-S1168 PolarHBondContact O-OG 3.48Å; D1165-S1168 CarbonylContact O-C 3.5Å; D1165-S1168 WeakPolarHBondContact O-CA 3.39Å; D1165-S1168 WeakPolarHBondContact O-CB 3.48Å; D1165-S1168 PolarHBondContact O-N 2.87Å; S1168-V1170 VanDerWaalsContact C-N 3.33Å; S1168-V1170 PolarHBondContact O-N 2.94Å; S1168-K1171 PolarHBondContact O-N 2.92Å; S1168-K1171 VanDerWaalsContact O-N 3.17Å; S1168-A1172 PolarHBondContact O-N 2.95Å
1169Q88.3Confident84.7Confident69 Ų6958.8 Ų58.832%0.32233%0.325SS..Hα-helixtrans-54.7-46.5171.8-66.517929.400111.5D1165 A1172 I1250D1165-Q1169 WeakPolarHBondContact O-CG 3.3Å; D1165-Q1169 PolarHBondContact O-N 3.02Å; D1165-Q1169 PolarHBondContact OD2-NE2 2.81Å; Q1169-A1172 PolarHBondContact O-N 3.16Å; Q1169-I1250 HydrophobicContact CB-CD1 4.13Å
1170V89.4Confident84.7Confident0 Ų062.1 Ų62.10%034%0.336CS..Hα-helixtrans-71.8-31.5178.3178.50000112.8W1142 A1166 I1167 S1168 L1173 K1182 G1185 F1186 A1189 I1250W1142-V1170 HydrophobicContact CH2-CB 4.05Å; W1142-V1170 HydrophobicContact CH2-CG1 3.54Å; W1142-V1170 HydrophobicContact CZ2-CG1 4.17Å; W1142-V1170 HydrophobicContact CZ3-CG1 4.11Å; A1166-V1170 WeakPolarHBondContact O-CG2 3.43Å; A1166-V1170 PolarHBondContact O-N 3.27Å; I1167-V1170 PolarHBondContact O-N 3.25Å; S1168-V1170 VanDerWaalsContact C-N 3.33Å; S1168-V1170 PolarHBondContact O-N 2.94Å; V1170-L1173 PolarHBondContact O-N 2.86Å; V1170-K1182 HydrophobicContact CG1-CB 4.15Å; V1170-G1185 VanDerWaalsContact CG2-C 3.48Å; V1170-F1186 HydrophobicContact CG2-CB 4.13Å; V1170-A1189 HydrophobicContact CG2-CB 4.5Å; V1170-I1250 HydrophobicContact CG2-CG2 4.49Å
1171K87.7Confident84.6Confident105 Ų10561.5 Ų61.546%0.45734%0.337SS..Hα-helixtrans-73.5-27175.8-76.4178177.4174.70113.1E1146 I1167 S1168 L1173E1146-K1171 WeakPolarHBondContact OE1-CE 3.25Å; E1146-K1171 IonicContact OE1-NZ 2.66Å; E1146-K1171 PolarHBondContact OE1-NZ 3.18Å; E1146-K1171 VanDerWaalsContact OE1-NZ 3.13Å; I1167-K1171 HydrophobicContact CG2-CD 3.65Å; I1167-K1171 VanDerWaalsContact CG2-CE 3.45Å; I1167-K1171 HydrophobicContact CG2-CG 4.19Å; I1167-K1171 WeakPolarHBondContact O-CB 3.47Å; I1167-K1171 WeakPolarHBondContact O-CG 3.47Å; I1167-K1171 PolarHBondContact O-N 3.12Å; S1168-K1171 PolarHBondContact O-N 2.92Å; S1168-K1171 VanDerWaalsContact O-N 3.17Å; K1171-L1173 PolarHBondContact O-N 3.38Å
1172A88.3Confident84.7Confident72 Ų7258 Ų5860%0.59532%0.32SS*.Hα-helixtrans-66.8-22.1172.300000113.1S1168 Q1169 T1174S1168-A1172 PolarHBondContact O-N 2.95Å; Q1169-A1172 PolarHBondContact O-N 3.16Å; A1172-T1174 VanDerWaalsContact C-N 3.29Å; A1172-T1174 PolarHBondContact O-N 3.35Å
1173L85.5Confident84.7Confident27 Ų2756 Ų5614%0.14131%0.308CS..  trans-77.477.2177.3-59.7174.9000111.1V1170 K1171 N1175 I1176 I1250 V1254V1170-L1173 PolarHBondContact O-N 2.86Å; K1171-L1173 PolarHBondContact O-N 3.38Å; L1173-N1175 PolarHBondContact O-N 2.73Å; L1173-I1176 HydrophobicContact CB-CD1 3.55Å; L1173-I1176 HydrophobicContact CB-CG1 3.82Å; L1173-I1176 HydrophobicContact CD1-CD1 3.76Å; L1173-I1176 HydrophobicContact CG-CD1 4.3Å; L1173-I1176 PolarHBondContact O-N 3.07Å; L1173-I1176 VanDerWaalsContact O-N 3.1Å; L1173-I1250 HydrophobicContact CD1-CB 4.24Å; L1173-I1250 HydrophobicContact CD1-CG2 3.6Å; L1173-V1254 HydrophobicContact CD1-CG2 4.29Å
1174T70.4Confident84.5Confident136 Ų13656.3 Ų56.383%0.83431%0.309SS*.THydrogen-bonded Turntrans-53.9-20.6-177.757.10000114.8A1172A1172-T1174 VanDerWaalsContact C-N 3.29Å; A1172-T1174 PolarHBondContact O-N 3.35Å
1175N72.4Confident84.5Confident112 Ų11253.5 Ų53.560%0.59929%0.294SS*.THydrogen-bonded Turntrans-84.9-3.5-178.545.36.1000114.6L1173L1173-N1175 PolarHBondContact O-N 2.73Å
1176I75.1Confident84.6Confident11 Ų1149.6 Ų49.66%0.05627%0.273CS..  trans-96.6110.2-180-42.3176.2000112.8L1173 T1181 K1182 V1254L1173-I1176 HydrophobicContact CB-CD1 3.55Å; L1173-I1176 HydrophobicContact CB-CG1 3.82Å; L1173-I1176 HydrophobicContact CD1-CD1 3.76Å; L1173-I1176 HydrophobicContact CG-CD1 4.3Å; L1173-I1176 PolarHBondContact O-N 3.07Å; L1173-I1176 VanDerWaalsContact O-N 3.1Å; I1176-T1181 HydrophobicContact CG2-CG2 3.75Å; I1176-K1182 HydrophobicContact CB-CG 4.02Å; I1176-K1182 HydrophobicContact CG2-CB 4.4Å; I1176-K1182 HydrophobicContact CG2-CG 3.48Å; I1176-K1182 VanDerWaalsContact CG2-CG 3.48Å; I1176-K1182 WeakPolarHBondContact O-CE 3.4Å; I1176-V1254 HydrophobicContact CD1-CB 4.17Å; I1176-V1254 HydrophobicContact CD1-CG1 3.49Å; I1176-V1254 VanDerWaalsContact CD1-CG1 3.49Å; I1176-V1254 HydrophobicContact CD1-CG2 3.6Å; I1176-V1254 HydrophobicContact CG1-CG1 3.58Å
1177T72.1Confident84.6Confident123 Ų12349.7 Ų49.776%0.75527%0.274SS*.  trans-105.7-11177.758.70000115.1
1178L80.1Confident84.5Confident101 Ų10149.4 Ų49.453%0.52927%0.273SS..  trans-102.5129.5-176.3-169.370.1000111.9K1180 T1181 K1182L1178-K1180 PolarHBondContact O-N 3.25Å; L1178-T1181 WeakPolarHBondContact O-CB 3.33Å; L1178-T1181 PolarHBondContact O-N 3.04Å; L1178-K1182 PolarHBondContact O-N 3.06Å
1179E81.2Confident84.5Confident43 Ų4347.1 Ų47.120%0.20126%0.256CS..Hα-helixtrans-60.2-45.2-175.7-67.6154.4171.500112.9R1138 T1139 W1142 T1181 K1182 F1183R1138-E1179 VanDerWaalsContact CA-OE2 3.31Å; R1138-E1179 WeakPolarHBondContact CA-OE2 3.43Å; R1138-E1179 VanDerWaalsContact CB-OE1 3.27Å; R1138-E1179 WeakPolarHBondContact CB-OE1 3.47Å; R1138-E1179 VanDerWaalsContact CB-OE2 3.27Å; R1138-E1179 WeakPolarHBondContact CB-OE2 3.39Å; R1138-E1179 WeakPolarHBondContact CD-OE1 3.43Å; R1138-E1179 VanDerWaalsContact CG-OE1 3.25Å; R1138-E1179 WeakPolarHBondContact CG-OE1 3.32Å; R1138-E1179 WeakPolarHBondContact CG-OE2 3.32Å; R1138-E1179 IonicContact NE-OE1 3.85Å; T1139-E1179 PolarHBondContact N-OE2 3.12Å; T1139-E1179 PolarHBondContact OG1-OE2 3.46Å; W1142-E1179 HydrophobicContact CB-CB 4.09Å; W1142-E1179 HydrophobicContact CB-CG 4.1Å; E1179-T1181 PolarHBondContact O-N 3.4Å; E1179-K1182 PolarHBondContact O-N 3.3Å; E1179-F1183 WeakPolarHBondContact O-CB 3.31Å; E1179-F1183 PolarHBondContact O-N 2.86Å
1180K81.8Confident84.7Confident92 Ų9243.8 Ų43.840%0.424%0.241SC..Hα-helixtrans-57-36.2173.9-72-166.2172.6-165.40112.4L1178 K1184L1178-K1180 PolarHBondContact O-N 3.25Å; K1180-K1184 WeakPolarHBondContact O-CB 3.49Å; K1180-K1184 PolarHBondContact O-N 2.8Å
1181T84.5Confident84.7Confident36 Ų3643.9 Ų43.922%0.22124%0.241CC..Hα-helixtrans-77.6-36.4-179.5-52.40000111.9I1176 L1178 E1179 K1184 G1185 V1254I1176-T1181 HydrophobicContact CG2-CG2 3.75Å; L1178-T1181 WeakPolarHBondContact O-CB 3.33Å; L1178-T1181 PolarHBondContact O-N 3.04Å; E1179-T1181 PolarHBondContact O-N 3.4Å; T1181-K1184 PolarHBondContact O-N 3.43Å; T1181-G1185 PolarHBondContact O-N 3.35Å; T1181-V1254 HydrophobicContact CG2-CB 4.35Å; T1181-V1254 HydrophobicContact CG2-CG1 3.77Å; T1181-V1254 VanDerWaalsContact CG2-O 3.31Å; T1181-V1254 WeakPolarHBondContact CG2-O 3.31Å
1182K88Confident84.8Confident52 Ų5241 Ų4123%0.22623%0.231CC..Hα-helixtrans-63.1-44.4169.5-66.3-165.4175.6-163.70111.2W1142 V1170 I1176 L1178 E1179 K1184 G1185 F1186W1142-K1182 HydrophobicContact CD2-CB 3.57Å; W1142-K1182 HydrophobicContact CD2-CD 3.86Å; W1142-K1182 HydrophobicContact CD2-CG 4.37Å; W1142-K1182 HydrophobicContact CE3-CB 3.38Å; W1142-K1182 HydrophobicContact CG-CB 4.25Å; W1142-K1182 HydrophobicContact CG-CD 4.12Å; W1142-K1182 HydrophobicContact CH2-CB 4.12Å; W1142-K1182 HydrophobicContact CZ2-CB 4.28Å; W1142-K1182 HydrophobicContact CZ2-CD 4.13Å; W1142-K1182 HydrophobicContact CZ3-CB 3.67Å; W1142-K1182 WeakPolarHBondContact CZ3-O 3.23Å; V1170-K1182 HydrophobicContact CG1-CB 4.15Å; I1176-K1182 HydrophobicContact CB-CG 4.02Å; I1176-K1182 HydrophobicContact CG2-CB 4.4Å; I1176-K1182 HydrophobicContact CG2-CG 3.48Å; I1176-K1182 VanDerWaalsContact CG2-CG 3.48Å; I1176-K1182 WeakPolarHBondContact O-CE 3.4Å; L1178-K1182 PolarHBondContact O-N 3.06Å; E1179-K1182 PolarHBondContact O-N 3.3Å; K1182-K1184 PolarHBondContact O-N 2.95Å; K1182-G1185 PolarHBondContact O-N 2.65Å; K1182-F1186 PolarHBondContact O-N 3.21Å
1183F89.5Confident84.9Confident0 Ų039.6 Ų39.60%022%0.219CC..Hα-helixtrans-58.1-47.4175-178.5-99.1000111.8T1118 L1121 L1141 V1145 E1179 G1185 F1186 I1187 W1199T1118-F1183 HydrophobicContact CG2-CD1 4.12Å; T1118-F1183 HydrophobicContact CG2-CE1 4.13Å; T1118-F1183 WeakPolarHBondContact OG1-CE1 3.29Å; L1121-F1183 HydrophobicContact CD1-CE2 4.45Å; L1121-F1183 HydrophobicContact CD1-CZ 3.73Å; L1141-F1183 HydrophobicContact CD1-CD2 4.06Å; L1141-F1183 HydrophobicContact CD1-CE2 3.91Å; L1141-F1183 HydrophobicContact CD1-CZ 4.39Å; L1141-F1183 HydrophobicContact CD2-CB 3.96Å; L1141-F1183 HydrophobicContact CD2-CD1 3.7Å; L1141-F1183 HydrophobicContact CD2-CD2 3.67Å; L1141-F1183 HydrophobicContact CD2-CE1 4.11Å; L1141-F1183 HydrophobicContact CD2-CE2 4.1Å; L1141-F1183 HydrophobicContact CD2-CG 3.46Å; L1141-F1183 VanDerWaalsContact CD2-CG 3.46Å; L1141-F1183 HydrophobicContact CD2-CZ 4.3Å; L1141-F1183 HydrophobicContact CG-CB 4.4Å; L1141-F1183 HydrophobicContact CG-CD2 3.59Å; L1141-F1183 HydrophobicContact CG-CE2 3.98Å; L1141-F1183 HydrophobicContact CG-CG 3.91Å; V1145-F1183 HydrophobicContact CG2-CD2 3.85Å; V1145-F1183 HydrophobicContact CG2-CE2 4.05Å; E1179-F1183 WeakPolarHBondContact O-CB 3.31Å; E1179-F1183 PolarHBondContact O-N 2.86Å; F1183-G1185 VanDerWaalsContact C-N 3.35Å; F1183-G1185 PolarHBondContact O-N 2.68Å; F1183-F1186 PolarHBondContact O-N 2.92Å; F1183-F1186 VanDerWaalsContact O-N 3.14Å; F1183-I1187 HydrophobicContact CD1-CG1 4.25Å; F1183-I1187 HydrophobicContact CE1-CD1 4.21Å; F1183-I1187 HydrophobicContact CE1-CG1 3.74Å; F1183-I1187 HydrophobicContact CE2-CD1 4.14Å; F1183-I1187 HydrophobicContact CE2-CG1 4.28Å; F1183-I1187 HydrophobicContact CZ-CD1 3.7Å; F1183-I1187 HydrophobicContact CZ-CG1 3.75Å; F1183-I1187 WeakPolarHBondContact O-CG1 3.23Å; F1183-I1187 PolarHBondContact O-N 3.12Å; F1183-W1199 AromaticContact CE2-CH2 3.99Å; F1183-W1199 HydrophobicContact CE2-CH2 3.99Å; F1183-W1199 HydrophobicContact CZ-CH2 4.49Å
1184K88Confident85.1Confident8 Ų842.4 Ų42.44%0.03523%0.23CC..Hα-helixtrans-52.1-51.6172.1-175.9-177.2-170.7-159.40111.6I1114 K1180 T1181 K1182 F1186 I1187 C1188 E1253 K1256I1114-K1184 HydrophobicContact CD1-CG 4.13Å; I1114-K1184 HydrophobicContact CG2-CG 4.22Å; K1180-K1184 WeakPolarHBondContact O-CB 3.49Å; K1180-K1184 PolarHBondContact O-N 2.8Å; T1181-K1184 PolarHBondContact O-N 3.43Å; K1182-K1184 PolarHBondContact O-N 2.95Å; K1184-F1186 VanDerWaalsContact C-N 3.3Å; K1184-F1186 PolarHBondContact O-N 3.23Å; K1184-I1187 PolarHBondContact O-N 3.14Å; K1184-C1188 PolarHBondContact O-N 3.28Å; K1184-C1188 VanDerWaalsContact O-N 3.09Å; K1184-C1188 PolarHBondContact O-SG 2.95Å; K1184-E1253 WeakPolarHBondContact CE-O 3.32Å; K1184-E1253 WeakPolarHBondContact CE-OE1 3.46Å; K1184-E1253 PolarHBondContact NZ-O 2.8Å; K1184-E1253 IonicContact NZ-OE1 3.13Å; K1184-E1253 PolarHBondContact NZ-OE1 3.01Å; K1184-K1256 PolarHBondContact NZ-O 3.2Å
1185G89.7Confident86.1Confident0 Ų036 Ų360%019%0.191CC..Hα-helixtrans-59-38.4178.200000113.5V1170 T1181 K1182 F1183 C1188 A1189V1170-G1185 VanDerWaalsContact CG2-C 3.48Å; T1181-G1185 PolarHBondContact O-N 3.35Å; K1182-G1185 PolarHBondContact O-N 2.65Å; F1183-G1185 VanDerWaalsContact C-N 3.35Å; F1183-G1185 PolarHBondContact O-N 2.68Å; G1185-C1188 WeakPolarHBondContact O-CB 3.5Å; G1185-C1188 PolarHBondContact O-N 3.11Å; G1185-A1189 PolarHBondContact O-N 3.25Å
1186F92.1Very high87Confident0 Ų030.8 Ų30.80%016%0.163CC..Hα-helixtrans-69.2-39.2177.7170.6-100.2000113W1142 V1145 A1166 I1167 V1170 K1182 F1183 K1184 C1188 A1189 C1190 W1199W1142-F1186 HydrophobicContact CH2-CB 4.25Å; W1142-F1186 HydrophobicContact CZ3-CB 3.76Å; W1142-F1186 HydrophobicContact CZ3-CG 4.4Å; V1145-F1186 HydrophobicContact CG1-CD1 3.76Å; V1145-F1186 HydrophobicContact CG1-CD2 3.88Å; V1145-F1186 HydrophobicContact CG1-CE1 3.74Å; V1145-F1186 HydrophobicContact CG1-CE2 3.87Å; V1145-F1186 HydrophobicContact CG1-CG 3.82Å; V1145-F1186 HydrophobicContact CG1-CZ 3.79Å; V1145-F1186 HydrophobicContact CG2-CD1 3.97Å; V1145-F1186 HydrophobicContact CG2-CE1 4Å; A1166-F1186 HydrophobicContact CB-CD2 4.4Å; A1166-F1186 HydrophobicContact CB-CE2 4.28Å; I1167-F1186 HydrophobicContact CD1-CE2 4.39Å; I1167-F1186 HydrophobicContact CG1-CD2 3.79Å; I1167-F1186 HydrophobicContact CG1-CE2 3.67Å; V1170-F1186 HydrophobicContact CG2-CB 4.13Å; K1182-F1186 PolarHBondContact O-N 3.21Å; F1183-F1186 PolarHBondContact O-N 2.92Å; F1183-F1186 VanDerWaalsContact O-N 3.14Å; K1184-F1186 VanDerWaalsContact C-N 3.3Å; K1184-F1186 PolarHBondContact O-N 3.23Å; F1186-C1188 VanDerWaalsContact C-N 3.27Å; F1186-C1188 PolarHBondContact O-N 3.33Å; F1186-A1189 PolarHBondContact O-N 2.78Å; F1186-C1190 VanDerWaalsContact CE2-SG 3.59Å; F1186-C1190 WeakPolarHBondContact CZ-SG 3.12Å; F1186-C1190 WeakPolarHBondContact O-CB 3.26Å; F1186-C1190 PolarHBondContact O-N 2.89Å; F1186-C1190 PolarHBondContact O-SG 3.37Å; F1186-W1199 AromaticContact CE1-CD2 3.69Å; F1186-W1199 HydrophobicContact CE1-CD2 3.69Å; F1186-W1199 AromaticContact CE1-CE2 3.61Å; F1186-W1199 HydrophobicContact CE1-CE3 4.09Å; F1186-W1199 HydrophobicContact CE1-CG 4.12Å; F1186-W1199 HydrophobicContact CE1-CH2 4.35Å; F1186-W1199 AromaticContact CE1-CZ2 3.97Å; F1186-W1199 HydrophobicContact CE1-CZ2 3.97Å; F1186-W1199 HydrophobicContact CE1-CZ3 4.4Å; F1186-W1199 AromaticContact CE1-NE1 3.92Å; F1186-W1199 AromaticContact CZ-CD1 3.78Å; F1186-W1199 AromaticContact CZ-CD2 4Å; F1186-W1199 HydrophobicContact CZ-CD2 4Å; F1186-W1199 AromaticContact CZ-CE2 3.95Å; F1186-W1199 AromaticContact CZ-CG 3.92Å; F1186-W1199 HydrophobicContact CZ-CG 3.92Å; F1186-W1199 AromaticContact CZ-NE1 3.78Å
1187I91.2Very high87.8Confident2 Ų230.5 Ų30.51%0.0116%0.162CC..Hα-helixtrans-62.6-37.4171.8-61-62.7000110.7I1114 L1117 F1183 K1184 C1190 L1191 L1196 W1199I1114-I1187 HydrophobicContact CG1-CG2 3.96Å; L1117-I1187 HydrophobicContact CD2-CD1 4.3Å; L1117-I1187 HydrophobicContact CD2-CG2 4.37Å; F1183-I1187 HydrophobicContact CD1-CG1 4.25Å; F1183-I1187 HydrophobicContact CE1-CD1 4.21Å; F1183-I1187 HydrophobicContact CE1-CG1 3.74Å; F1183-I1187 HydrophobicContact CE2-CD1 4.14Å; F1183-I1187 HydrophobicContact CE2-CG1 4.28Å; F1183-I1187 HydrophobicContact CZ-CD1 3.7Å; F1183-I1187 HydrophobicContact CZ-CG1 3.75Å; F1183-I1187 WeakPolarHBondContact O-CG1 3.23Å; F1183-I1187 PolarHBondContact O-N 3.12Å; K1184-I1187 PolarHBondContact O-N 3.14Å; I1187-C1190 PolarHBondContact O-N 2.99Å; I1187-L1191 HydrophobicContact CG2-CD1 4.22Å; I1187-L1191 WeakPolarHBondContact O-CG 3.43Å; I1187-L1191 PolarHBondContact O-N 2.81Å; I1187-L1196 HydrophobicContact CD1-CD1 3.71Å; I1187-L1196 HydrophobicContact CG2-CD1 4.39Å; I1187-L1196 HydrophobicContact CG2-CD2 4.39Å; I1187-W1199 HydrophobicContact CD1-CZ3 4.03Å
1188C89.6Confident88.6Confident0 Ų028.7 Ų28.70%015%0.146CC..Hα-helixtrans-66.4-42.2175.6-57.10000112.2K1184 G1185 F1186 L1191 N1192 L1248 I1250 E1253K1184-C1188 PolarHBondContact O-N 3.28Å; K1184-C1188 VanDerWaalsContact O-N 3.09Å; K1184-C1188 PolarHBondContact O-SG 2.95Å; G1185-C1188 WeakPolarHBondContact O-CB 3.5Å; G1185-C1188 PolarHBondContact O-N 3.11Å; F1186-C1188 VanDerWaalsContact C-N 3.27Å; F1186-C1188 PolarHBondContact O-N 3.33Å; C1188-L1191 PolarHBondContact O-N 3.48Å; C1188-N1192 PolarHBondContact O-N 2.95Å; C1188-L1248 HydrophobicContact CB-CD1 3.9Å; C1188-I1250 HydrophobicContact CB-CG1 4.43Å; C1188-E1253 HydrophobicContact CB-CG 4.43Å; C1188-E1253 WeakPolarHBondContact SG-CG 3.43Å
1189A90.6Very high89.2Confident0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-61-42.9172.600000111.8A1166 V1170 G1185 F1186 L1191 N1192 A1193 I1250A1166-A1189 HydrophobicContact CB-CB 3.79Å; V1170-A1189 HydrophobicContact CG2-CB 4.5Å; G1185-A1189 PolarHBondContact O-N 3.25Å; F1186-A1189 PolarHBondContact O-N 2.78Å; A1189-L1191 VanDerWaalsContact C-N 3.32Å; A1189-L1191 PolarHBondContact O-N 3.38Å; A1189-N1192 PolarHBondContact O-N 3.13Å; A1189-A1193 VanDerWaalsContact O-CB 3.29Å; A1189-A1193 WeakPolarHBondContact O-CB 3.49Å; A1189-A1193 PolarHBondContact O-N 3.43Å; A1189-I1250 HydrophobicContact CB-CD1 3.74Å
1190C92Very high89.8Confident0 Ų022 Ų220%011%0.112CC..Hα-helixtrans-66.5-30.2176.3-67.30000113.3F1186 I1187 K1194 A1195 L1196F1186-C1190 VanDerWaalsContact CE2-SG 3.59Å; F1186-C1190 WeakPolarHBondContact CZ-SG 3.12Å; F1186-C1190 WeakPolarHBondContact O-CB 3.26Å; F1186-C1190 PolarHBondContact O-N 2.89Å; F1186-C1190 PolarHBondContact O-SG 3.37Å; I1187-C1190 PolarHBondContact O-N 2.99Å; C1190-K1194 CarbonylContact O-C 3.55Å; C1190-K1194 WeakPolarHBondContact O-CA 3.4Å; C1190-K1194 PolarHBondContact O-N 2.89Å; C1190-K1194 VanDerWaalsContact O-N 3.07Å; C1190-A1195 PolarHBondContact O-N 3.5Å; C1190-L1196 HydrophobicContact CB-CB 4.07Å; C1190-L1196 HydrophobicContact CB-CD1 4.29Å; C1190-L1196 PolarHBondContact O-N 3.47Å
1191L89.8Confident90.2Very high2 Ų220.9 Ų20.91%0.0111%0.111CC..Hα-helixtrans-70.8-48.6172.7-74.5167.4000111L1110 I1187 C1188 A1189 A1193 K1194 L1196 L1241 F1246 L1248L1110-L1191 HydrophobicContact CD2-CD1 4.32Å; I1187-L1191 HydrophobicContact CG2-CD1 4.22Å; I1187-L1191 WeakPolarHBondContact O-CG 3.43Å; I1187-L1191 PolarHBondContact O-N 2.81Å; C1188-L1191 PolarHBondContact O-N 3.48Å; A1189-L1191 VanDerWaalsContact C-N 3.32Å; A1189-L1191 PolarHBondContact O-N 3.38Å; L1191-A1193 VanDerWaalsContact C-N 3.31Å; L1191-A1193 PolarHBondContact O-N 3.29Å; L1191-K1194 PolarHBondContact O-N 3.43Å; L1191-K1194 VanDerWaalsContact O-N 3.08Å; L1191-L1196 HydrophobicContact CD2-CD2 3.83Å; L1191-L1196 HydrophobicContact CG-CD2 4.25Å; L1191-L1241 HydrophobicContact CD2-CB 4.35Å; L1191-L1241 HydrophobicContact CD2-CD1 3.89Å; L1191-F1246 HydrophobicContact CB-CD2 3.83Å; L1191-F1246 HydrophobicContact CB-CE2 4.45Å; L1191-F1246 HydrophobicContact CB-CG 4.4Å; L1191-F1246 HydrophobicContact CD2-CD2 4.11Å; L1191-F1246 HydrophobicContact CD2-CE2 3.87Å; L1191-L1248 HydrophobicContact CD1-CD1 4.41Å
1192N89.4Confident90.4Very high44 Ų4420 Ų2024%0.23511%0.107CC..Hα-helixtrans-56.6-45.1174.8-69.7-7.8000111.8C1188 A1189 K1194 F1246 L1248C1188-N1192 PolarHBondContact O-N 2.95Å; A1189-N1192 PolarHBondContact O-N 3.13Å; N1192-K1194 VanDerWaalsContact C-N 3.27Å; N1192-K1194 PolarHBondContact O-N 2.81Å; N1192-F1246 PolarHBondContact OD1-O 2.98Å; N1192-L1248 PolarHBondContact ND2-O 3.13Å; N1192-L1248 WeakPolarHBondContact OD1-CB 3.42Å; N1192-L1248 PolarHBondContact OD1-N 2.9Å
1193A89.1Confident90.5Very high42 Ų4217.6 Ų17.635%0.34710%0.096SC..THydrogen-bonded Turntrans-81.3217900000114.4V1162 A1189 L1191 A1195V1162-A1193 HydrophobicContact CG1-CB 3.81Å; A1189-A1193 VanDerWaalsContact O-CB 3.29Å; A1189-A1193 WeakPolarHBondContact O-CB 3.49Å; A1189-A1193 PolarHBondContact O-N 3.43Å; L1191-A1193 VanDerWaalsContact C-N 3.31Å; L1191-A1193 PolarHBondContact O-N 3.29Å; A1193-A1195 HydrophobicContact CB-CB 4.4Å; A1193-A1195 PolarHBondContact O-N 3.02Å; A1193-A1195 VanDerWaalsContact O-N 3.07Å
1194K89.9Confident90.6Very high87 Ų8718.1 Ų18.138%0.37810%0.099SC..THydrogen-bonded Turntrans53.124.3-176.3-62.3-168.3178.3-163.40115.3C1190 L1191 N1192 L1242 F1244C1190-K1194 CarbonylContact O-C 3.55Å; C1190-K1194 WeakPolarHBondContact O-CA 3.4Å; C1190-K1194 PolarHBondContact O-N 2.89Å; C1190-K1194 VanDerWaalsContact O-N 3.07Å; L1191-K1194 PolarHBondContact O-N 3.43Å; L1191-K1194 VanDerWaalsContact O-N 3.08Å; N1192-K1194 VanDerWaalsContact C-N 3.27Å; N1192-K1194 PolarHBondContact O-N 2.81Å; K1194-L1242 HydrophobicContact CB-CD2 3.92Å; K1194-L1242 WeakPolarHBondContact CD-O 3.43Å; K1194-L1242 VanDerWaalsContact CE-O 3.31Å; K1194-L1242 WeakPolarHBondContact CE-O 3.4Å; K1194-L1242 HydrophobicContact CG-CD2 4.38Å; K1194-L1242 PolarHBondContact NZ-O 3.35Å; K1194-L1242 WeakPolarHBondContact O-CD2 3.42Å; K1194-F1244 WeakPolarHBondContact CE-O 3.47Å; K1194-F1244 PolarHBondContact NZ-O 3.31Å
1195A91.1Very high90.6Very high1 Ų119.3 Ų19.31%0.00811%0.111CC..  trans-99.35.4-173.200000114.3V1162 L1163 C1190 A1193 M1198 W1199V1162-A1195 HydrophobicContact CG1-CB 3.77Å; L1163-A1195 HydrophobicContact CD2-CB 3.93Å; C1190-A1195 PolarHBondContact O-N 3.5Å; A1193-A1195 HydrophobicContact CB-CB 4.4Å; A1193-A1195 PolarHBondContact O-N 3.02Å; A1193-A1195 VanDerWaalsContact O-N 3.07Å; A1195-M1198 HydrophobicContact CB-SD 4.48Å; A1195-M1198 WeakPolarHBondContact O-CB 3.42Å; A1195-M1198 PolarHBondContact O-N 2.94Å; A1195-W1199 PolarHBondContact O-N 2.85Å
1196L92.1Very high90.5Very high2 Ų220.3 Ų20.31%0.0112%0.116CC..Hα-helixtrans-61.8-48.2-172.9-179.863000114.3L1117 I1187 C1190 L1191 W1199 L1200 L1238L1117-L1196 HydrophobicContact CD2-CD1 4.31Å; L1117-L1196 HydrophobicContact CD2-CD2 4.16Å; I1187-L1196 HydrophobicContact CD1-CD1 3.71Å; I1187-L1196 HydrophobicContact CG2-CD1 4.39Å; I1187-L1196 HydrophobicContact CG2-CD2 4.39Å; C1190-L1196 HydrophobicContact CB-CB 4.07Å; C1190-L1196 HydrophobicContact CB-CD1 4.29Å; C1190-L1196 PolarHBondContact O-N 3.47Å; L1191-L1196 HydrophobicContact CD2-CD2 3.83Å; L1191-L1196 HydrophobicContact CG-CD2 4.25Å; L1196-W1199 HydrophobicContact CD1-CE3 4.2Å; L1196-L1200 PolarHBondContact O-N 3.41Å; L1196-L1238 HydrophobicContact CD2-CD2 4.14Å
1197P91.5Very high90.3Very high6 Ų623.4 Ų23.44%0.03913%0.133CC..Hα-helixtrans-66.8-35.4173.3-22.535.9000113W1199 L1200 N1201 M1235 L1238 E1239 L1242P1197-W1199 PolarHBondContact O-N 3.25Å; P1197-L1200 PolarHBondContact O-N 3.22Å; P1197-N1201 WeakPolarHBondContact O-CB 3.29Å; P1197-N1201 PolarHBondContact O-N 3.34Å; P1197-N1201 PolarHBondContact O-ND2 2.91Å; P1197-M1235 HydrophobicContact CB-SD 4.11Å; P1197-L1238 HydrophobicContact CG-CB 4.07Å; P1197-E1239 HydrophobicContact CB-CG 4.37Å; P1197-E1239 HydrophobicContact CG-CG 4.08Å; P1197-L1242 HydrophobicContact CG-CD1 3.98Å; P1197-L1242 HydrophobicContact CG-CD2 4.48Å; P1197-L1242 HydrophobicContact CG-CG 4.35Å
1198M90.3Very high90.1Very high85 Ų8528.7 Ų28.742%0.41917%0.165SC..Hα-helixtrans-59.3-46.6176.3178.7-166.5-69.800111.4A1159 A1195 A1202A1159-M1198 HydrophobicContact CB-CG 4.27Å; A1159-M1198 HydrophobicContact CB-SD 3.55Å; A1159-M1198 VanDerWaalsContact CB-SD 3.55Å; A1195-M1198 HydrophobicContact CB-SD 4.48Å; A1195-M1198 WeakPolarHBondContact O-CB 3.42Å; A1195-M1198 PolarHBondContact O-N 2.94Å; M1198-A1202 WeakPolarHBondContact O-CB 3.39Å; M1198-A1202 PolarHBondContact O-N 3.08Å
1199W92.5Very high90.1Very high1 Ų129.1 Ų29.10%0.00417%0.167CC..Hα-helixtrans-61.6-45.7175.1174.363.5000112.4L1121 V1145 S1148 L1163 F1183 F1186 I1187 A1195 L1196 P1197 A1202 L1203L1121-W1199 HydrophobicContact CD1-CH2 4Å; L1121-W1199 HydrophobicContact CD1-CZ3 3.87Å; L1121-W1199 HydrophobicContact CD2-CH2 4.48Å; V1145-W1199 HydrophobicContact CG2-CH2 4.37Å; V1145-W1199 HydrophobicContact CG2-CZ2 3.79Å; S1148-W1199 PolarHBondContact OG-NE1 2.89Å; L1163-W1199 HydrophobicContact CD1-CB 4.36Å; L1163-W1199 HydrophobicContact CD2-CB 3.75Å; L1163-W1199 HydrophobicContact CD2-CG 4.37Å; F1183-W1199 AromaticContact CE2-CH2 3.99Å; F1183-W1199 HydrophobicContact CE2-CH2 3.99Å; F1183-W1199 HydrophobicContact CZ-CH2 4.49Å; F1186-W1199 AromaticContact CE1-CD2 3.69Å; F1186-W1199 HydrophobicContact CE1-CD2 3.69Å; F1186-W1199 AromaticContact CE1-CE2 3.61Å; F1186-W1199 HydrophobicContact CE1-CE3 4.09Å; F1186-W1199 HydrophobicContact CE1-CG 4.12Å; F1186-W1199 HydrophobicContact CE1-CH2 4.35Å; F1186-W1199 AromaticContact CE1-CZ2 3.97Å; F1186-W1199 HydrophobicContact CE1-CZ2 3.97Å; F1186-W1199 HydrophobicContact CE1-CZ3 4.4Å; F1186-W1199 AromaticContact CE1-NE1 3.92Å; F1186-W1199 AromaticContact CZ-CD1 3.78Å; F1186-W1199 AromaticContact CZ-CD2 4Å; F1186-W1199 HydrophobicContact CZ-CD2 4Å; F1186-W1199 AromaticContact CZ-CE2 3.95Å; F1186-W1199 AromaticContact CZ-CG 3.92Å; F1186-W1199 HydrophobicContact CZ-CG 3.92Å; F1186-W1199 AromaticContact CZ-NE1 3.78Å; I1187-W1199 HydrophobicContact CD1-CZ3 4.03Å; A1195-W1199 PolarHBondContact O-N 2.85Å; L1196-W1199 HydrophobicContact CD1-CE3 4.2Å; P1197-W1199 PolarHBondContact O-N 3.25Å; W1199-A1202 PolarHBondContact O-N 2.91Å; W1199-L1203 HydrophobicContact CH2-CD2 4.05Å; W1199-L1203 HydrophobicContact CZ2-CD2 3.92Å; W1199-L1203 WeakPolarHBondContact O-CB 3.37Å; W1199-L1203 PolarHBondContact O-N 3.31Å
1200L92.2Very high90.1Very high1 Ų129.1 Ų29.11%0.00517%0.168CC..Hα-helixtrans-68.6-40.9-175.6-156.9155.5000111.3L1117 L1196 P1197 A1202 L1203 V1204 H1231 M1235 L1238L1117-L1200 HydrophobicContact CD1-CD1 4.33Å; L1196-L1200 PolarHBondContact O-N 3.41Å; P1197-L1200 PolarHBondContact O-N 3.22Å; L1200-A1202 PolarHBondContact O-N 3.36Å; L1200-L1203 WeakPolarHBondContact O-CB 3.42Å; L1200-L1203 PolarHBondContact O-N 3.32Å; L1200-V1204 HydrophobicContact CD2-CG2 3.82Å; L1200-V1204 WeakPolarHBondContact O-CG2 3.34Å; L1200-V1204 PolarHBondContact O-N 2.89Å; L1200-H1231 WeakPolarHBondContact CD2-NE2 3.43Å; L1200-M1235 HydrophobicContact CB-CE 4.28Å; L1200-M1235 HydrophobicContact CD1-CE 4.03Å; L1200-M1235 HydrophobicContact CD2-CE 3.66Å; L1200-M1235 HydrophobicContact CD2-SD 4.48Å; L1200-M1235 HydrophobicContact CG-CE 4.18Å; L1200-L1238 HydrophobicContact CD1-CD1 4.29Å
1201N90.1Very high89.9Confident70 Ų7037.3 Ų37.337%0.37420%0.198SC..Hα-helixtrans-58.8-45.4170.6-79.4-44.2000112.1P1197 L1203 V1204 A1205 H1231P1197-N1201 WeakPolarHBondContact O-CB 3.29Å; P1197-N1201 PolarHBondContact O-N 3.34Å; P1197-N1201 PolarHBondContact O-ND2 2.91Å; N1201-L1203 VanDerWaalsContact C-N 3.32Å; N1201-L1203 PolarHBondContact O-N 3.37Å; N1201-V1204 PolarHBondContact O-N 3.43Å; N1201-A1205 WeakPolarHBondContact O-CB 3.1Å; N1201-A1205 PolarHBondContact O-N 3.46Å; N1201-H1231 PolarHBondContact OD1-CE1 2.93Å
1202A89.1Confident89.8Confident17 Ų1743.5 Ų43.514%0.1422%0.222CC..Hα-helixtrans-64.1-3417700000113.1M1198 W1199 L1200M1198-A1202 WeakPolarHBondContact O-CB 3.39Å; M1198-A1202 PolarHBondContact O-N 3.08Å; W1199-A1202 PolarHBondContact O-N 2.91Å; L1200-A1202 PolarHBondContact O-N 3.36Å
1203L90.8Very high89.7Confident1 Ų141.5 Ų41.51%0.00521%0.211CC..Hα-helixtrans-68.1-48.2173.7178.467.8000111.7L1121 L1144 W1199 L1200 N1201 A1205 N1206 L1209 L1210 I1220L1121-L1203 HydrophobicContact CD2-CD2 4.07Å; L1144-L1203 HydrophobicContact CD1-CD1 4.25Å; L1144-L1203 HydrophobicContact CD2-CD1 4.14Å; L1144-L1203 HydrophobicContact CD2-CD2 4.14Å; L1144-L1203 HydrophobicContact CG-CD1 4.08Å; W1199-L1203 HydrophobicContact CH2-CD2 4.05Å; W1199-L1203 HydrophobicContact CZ2-CD2 3.92Å; W1199-L1203 WeakPolarHBondContact O-CB 3.37Å; W1199-L1203 PolarHBondContact O-N 3.31Å; L1200-L1203 WeakPolarHBondContact O-CB 3.42Å; L1200-L1203 PolarHBondContact O-N 3.32Å; N1201-L1203 VanDerWaalsContact C-N 3.32Å; N1201-L1203 PolarHBondContact O-N 3.37Å; L1203-A1205 VanDerWaalsContact C-N 3.31Å; L1203-A1205 PolarHBondContact O-N 3Å; L1203-N1206 PolarHBondContact O-N 3.15Å; L1203-L1209 HydrophobicContact CD1-CD2 3.74Å; L1203-L1210 HydrophobicContact CD1-CD2 4.32Å; L1203-L1210 HydrophobicContact CG-CD2 4.36Å; L1203-I1220 HydrophobicContact CD2-CG2 4.48Å; L1203-I1220 HydrophobicContact CG-CG2 4.46Å
1204V90.7Very high89.7Confident11 Ų1139.7 Ų39.77%0.06720%0.195CC..Hα-helixtrans-63.6-36.3179.31670000111.5L1200 N1201 N1206 L1210 I1220 C1223 R1224L1200-V1204 HydrophobicContact CD2-CG2 3.82Å; L1200-V1204 WeakPolarHBondContact O-CG2 3.34Å; L1200-V1204 PolarHBondContact O-N 2.89Å; N1201-V1204 PolarHBondContact O-N 3.43Å; V1204-N1206 VanDerWaalsContact C-N 3.31Å; V1204-N1206 PolarHBondContact O-N 2.95Å; V1204-L1210 WeakPolarHBondContact O-CD1 3.43Å; V1204-I1220 HydrophobicContact CG2-CG2 3.87Å; V1204-C1223 HydrophobicContact CG1-CB 3.93Å; V1204-C1223 HydrophobicContact CG2-CB 4.23Å; V1204-R1224 HydrophobicContact CG1-CG 3.87Å; V1204-R1224 WeakPolarHBondContact O-CD 3.29Å
1205A88.5Confident89.6Confident33 Ų3338.2 Ų38.227%0.27320%0.195SC..Hα-helixtrans-75.4-12.8-179.300000114.5L1154 N1201 L1203 D1207 R1224L1154-A1205 HydrophobicContact CD2-CB 3.32Å; N1201-A1205 WeakPolarHBondContact O-CB 3.1Å; N1201-A1205 PolarHBondContact O-N 3.46Å; L1203-A1205 VanDerWaalsContact C-N 3.31Å; L1203-A1205 PolarHBondContact O-N 3Å; A1205-D1207 PolarHBondContact O-N 3.2Å; A1205-R1224 VanDerWaalsContact C-NH1 3.3Å; A1205-R1224 PolarHBondContact O-NH1 2.87Å
1206N87.7Confident89.3Confident22 Ų2244.4 Ų44.412%0.11822%0.224CC..  trans-95.579.2-178.5-170.5-14.1000113.4L1203 V1204 T1208 L1209 L1210L1203-N1206 PolarHBondContact O-N 3.15Å; V1204-N1206 VanDerWaalsContact C-N 3.31Å; V1204-N1206 PolarHBondContact O-N 2.95Å; N1206-T1208 PolarHBondContact O-N 3.22Å; N1206-T1208 VanDerWaalsContact O-N 3.13Å; N1206-T1208 PolarHBondContact OD1-N 3.15Å; N1206-T1208 PolarHBondContact OD1-OG1 3.2Å; N1206-L1209 HydrophobicContact CB-CB 4.18Å; N1206-L1209 PolarHBondContact O-N 2.95Å; N1206-L1209 VanDerWaalsContact O-N 3.13Å; N1206-L1209 PolarHBondContact OD1-N 2.97Å; N1206-L1210 WeakPolarHBondContact O-CG 3.36Å; N1206-L1210 PolarHBondContact O-N 3.43Å
1207D87.5Confident89Confident65 Ų6548.8 Ų48.835%0.34825%0.247SC..Hα-helixtrans-55.3-32.7-179.7-76.7-10.4000114.3A1205 L1209 L1210 R1211 R1224A1205-D1207 PolarHBondContact O-N 3.2Å; D1207-L1209 VanDerWaalsContact C-N 3.35Å; D1207-L1210 PolarHBondContact O-N 2.65Å; D1207-R1211 WeakPolarHBondContact O-CB 3.25Å; D1207-R1211 VanDerWaalsContact O-CG 3.25Å; D1207-R1211 WeakPolarHBondContact O-CG 3.29Å; D1207-R1211 PolarHBondContact O-N 2.77Å; D1207-R1224 WeakPolarHBondContact OD1-CD 3.45Å; D1207-R1224 IonicContact OD1-CZ 3.69Å; D1207-R1224 IonicContact OD1-NE 2.76Å; D1207-R1224 IonicContact OD1-NH1 3.96Å; D1207-R1224 PolarHBondContact OD1-NH1 3.02Å; D1207-R1224 IonicContact OD2-CZ 3.97Å; D1207-R1224 IonicContact OD2-NH1 2.61Å; D1207-R1224 PolarHBondContact OD2-NH1 2.91Å
1208T88.3Confident88.9Confident112 Ų11248.5 Ų48.569%0.68725%0.246SC*.Hα-helixtrans-67.1-39.5-178.474.10000111.4N1206 R1212N1206-T1208 PolarHBondContact O-N 3.22Å; N1206-T1208 VanDerWaalsContact O-N 3.13Å; N1206-T1208 PolarHBondContact OD1-N 3.15Å; N1206-T1208 PolarHBondContact OD1-OG1 3.2Å; T1208-R1212 PolarHBondContact O-N 3.15Å
1209L89.1Confident88.9Confident9 Ų944.5 Ų44.55%0.04723%0.226CC..Hα-helixtrans-72.2-45.9175.1-172.1161.1000110L1144 E1147 S1148 L1203 N1206 D1207 R1211 R1212 F1213L1144-L1209 HydrophobicContact CD1-CD2 3.39Å; L1144-L1209 HydrophobicContact CG-CD2 4.16Å; E1147-L1209 HydrophobicContact CB-CD1 4.06Å; S1148-L1209 VanDerWaalsContact CA-CD1 3.45Å; L1203-L1209 HydrophobicContact CD1-CD2 3.74Å; N1206-L1209 HydrophobicContact CB-CB 4.18Å; N1206-L1209 PolarHBondContact O-N 2.95Å; N1206-L1209 VanDerWaalsContact O-N 3.13Å; N1206-L1209 PolarHBondContact OD1-N 2.97Å; D1207-L1209 VanDerWaalsContact C-N 3.35Å; L1209-R1211 PolarHBondContact O-N 2.94Å; L1209-R1212 WeakPolarHBondContact O-CB 3.5Å; L1209-R1212 PolarHBondContact O-N 3.29Å; L1209-F1213 HydrophobicContact CD2-CD2 3.9Å; L1209-F1213 HydrophobicContact CG-CD2 4.05Å; L1209-F1213 HydrophobicContact CG-CE2 4.32Å; L1209-F1213 WeakPolarHBondContact O-CD2 3.17Å; L1209-F1213 PolarHBondContact O-N 3.24Å; L1209-F1213 VanDerWaalsContact O-N 3.15Å
1210L90.2Very high88.8Confident1 Ų144.5 Ų44.51%0.00523%0.226CC..Hα-helixtrans-59.1-44.6179.1-64.3-174.5000112.6L1203 V1204 N1206 D1207 R1212 F1213 Y1214 I1220 R1221L1203-L1210 HydrophobicContact CD1-CD2 4.32Å; L1203-L1210 HydrophobicContact CG-CD2 4.36Å; V1204-L1210 WeakPolarHBondContact O-CD1 3.43Å; N1206-L1210 WeakPolarHBondContact O-CG 3.36Å; N1206-L1210 PolarHBondContact O-N 3.43Å; D1207-L1210 PolarHBondContact O-N 2.65Å; L1210-R1212 PolarHBondContact O-N 3.44Å; L1210-F1213 PolarHBondContact O-N 3.24Å; L1210-Y1214 HydrophobicContact CD2-CD2 3.81Å; L1210-Y1214 HydrophobicContact CD2-CE2 4.03Å; L1210-Y1214 PolarHBondContact O-N 2.85Å; L1210-I1220 HydrophobicContact CD1-CG2 4.18Å; L1210-I1220 HydrophobicContact CD2-CG2 3.49Å; L1210-I1220 VanDerWaalsContact CD2-CG2 3.49Å; L1210-I1220 HydrophobicContact CG-CG2 4.5Å; L1210-R1221 HydrophobicContact CB-CG 4Å; L1210-R1221 HydrophobicContact CD1-CG 4.36Å
1211R87Confident88.7Confident171 Ų17147.1 Ų47.165%0.64524%0.236SC*.Hα-helixtrans-62.3-23.4175.8-71.8174.3-171.7-134.85.8113.7D1207 L1209D1207-R1211 WeakPolarHBondContact O-CB 3.25Å; D1207-R1211 VanDerWaalsContact O-CG 3.25Å; D1207-R1211 WeakPolarHBondContact O-CG 3.29Å; D1207-R1211 PolarHBondContact O-N 2.77Å; L1209-R1211 PolarHBondContact O-N 2.94Å
1212R87.5Confident88.6Confident133 Ų13344.8 Ų44.850%0.50222%0.223SC..Hα-helixtrans-86.7-25.3179.9-174.2177.2177.6-149.4-1.2113.2R1140 E1147 T1208 L1209 L1210R1140-R1212 PolarHBondContact NH1-O 2.92Å; E1147-R1212 IonicContact OE2-CZ 2.71Å; E1147-R1212 IonicContact OE2-NH1 3.57Å; E1147-R1212 PolarHBondContact OE2-NH1 3.27Å; E1147-R1212 IonicContact OE2-NH2 3.44Å; T1208-R1212 PolarHBondContact O-N 3.15Å; L1209-R1212 WeakPolarHBondContact O-CB 3.5Å; L1209-R1212 PolarHBondContact O-N 3.29Å; L1210-R1212 PolarHBondContact O-N 3.44Å
1213F87.4Confident88.5Confident2 Ų244.2 Ų44.21%0.00922%0.218CC..Hα-helixtrans-117.3-22-171.5-76.6-83.3000115.4L1125 L1126 R1140 Q1143 L1144 E1147 L1209 L1210L1125-F1213 HydrophobicContact CD1-CB 4.37Å; L1126-F1213 WeakPolarHBondContact CB-O 3.34Å; L1126-F1213 PolarHBondContact N-O 3.26Å; R1140-F1213 HydrophobicContact CB-CD1 3.93Å; R1140-F1213 HydrophobicContact CB-CE1 4.05Å; R1140-F1213 HydrophobicContact CG-CD1 4.37Å; R1140-F1213 HydrophobicContact CG-CE1 4.25Å; Q1143-F1213 HydrophobicContact CB-CE1 4.14Å; Q1143-F1213 HydrophobicContact CB-CZ 4.42Å; Q1143-F1213 HydrophobicContact CG-CE1 4.11Å; Q1143-F1213 HydrophobicContact CG-CZ 3.97Å; L1144-F1213 HydrophobicContact CB-CD1 4.32Å; L1144-F1213 HydrophobicContact CD1-CB 3.39Å; L1144-F1213 HydrophobicContact CD1-CD1 4.07Å; L1144-F1213 HydrophobicContact CD1-CD2 3.93Å; L1144-F1213 HydrophobicContact CD1-CG 3.55Å; E1147-F1213 HydrophobicContact CB-CE2 4.3Å; E1147-F1213 HydrophobicContact CG-CE2 4.03Å; E1147-F1213 HydrophobicContact CG-CZ 3.91Å; L1209-F1213 HydrophobicContact CD2-CD2 3.9Å; L1209-F1213 HydrophobicContact CG-CD2 4.05Å; L1209-F1213 HydrophobicContact CG-CE2 4.32Å; L1209-F1213 WeakPolarHBondContact O-CD2 3.17Å; L1209-F1213 PolarHBondContact O-N 3.24Å; L1209-F1213 VanDerWaalsContact O-N 3.15Å; L1210-F1213 PolarHBondContact O-N 3.24Å
1214Y90.8Very high88.2Confident3 Ų348.9 Ų48.91%0.01224%0.235CC..BIsolated β-bridgetrans-124.3145.2-175.4-72.6-81.1000113.6L1121 D1123 G1124 L1125 L1144 L1210 A1218 I1220L1121-Y1214 WeakPolarHBondContact O-CE1 3.31Å; L1121-Y1214 PolarHBondContact O-OH 2.77Å; D1123-Y1214 WeakPolarHBondContact O-CD1 3.47Å; D1123-Y1214 WeakPolarHBondContact O-CE1 3.28Å; G1124-Y1214 WeakPolarHBondContact O-CA 3.45Å; L1125-Y1214 HydrophobicContact CB-CD1 4.27Å; L1125-Y1214 HydrophobicContact CB-CE1 3.99Å; L1125-Y1214 HydrophobicContact CD1-CD1 4.19Å; L1125-Y1214 HydrophobicContact CD1-CE1 3.75Å; L1125-Y1214 HydrophobicContact CD1-CE2 4.2Å; L1144-Y1214 HydrophobicContact CD1-CD2 4.23Å; L1144-Y1214 HydrophobicContact CD1-CE2 3.58Å; L1144-Y1214 HydrophobicContact CD2-CE2 3.94Å; L1144-Y1214 WeakPolarHBondContact CD2-OH 3.5Å; L1144-Y1214 HydrophobicContact CG-CE2 4.44Å; L1210-Y1214 HydrophobicContact CD2-CD2 3.81Å; L1210-Y1214 HydrophobicContact CD2-CE2 4.03Å; L1210-Y1214 PolarHBondContact O-N 2.85Å; Y1214-A1218 HydrophobicContact CD1-CB 3.8Å; Y1214-A1218 HydrophobicContact CG-CB 4.22Å; Y1214-I1220 HydrophobicContact CE2-CB 4.48Å; Y1214-I1220 HydrophobicContact CE2-CG2 4.47Å
1215C87.5Confident87.7Confident57 Ų5751.6 Ų51.639%0.38526%0.259SS..  trans-60.2153.7166.2-66.80000111.5G1124 L1126 N1217 A1218 R1221G1124-C1215 PolarHBondContact O-N 3.44Å; G1124-C1215 PolarHBondContact O-SG 3.07Å; L1126-C1215 VanDerWaalsContact CD2-SG 3.53Å; C1215-N1217 VanDerWaalsContact C-N 3.28Å; C1215-N1217 PolarHBondContact O-N 3.14Å; C1215-A1218 VanDerWaalsContact O-CB 3.23Å; C1215-A1218 WeakPolarHBondContact O-CB 3.3Å; C1215-A1218 PolarHBondContact O-N 2.92Å; C1215-A1218 VanDerWaalsContact O-N 3.08Å; C1215-R1221 WeakPolarHBondContact O-CD 3.45Å
1216E85Confident87.3Confident130 Ų13052.7 Ų52.761%0.60727%0.265SS*.THydrogen-bonded Turntrans-51.8-44.8178.7-161.2106.9-9400113.2A1218 R1221E1216-A1218 VanDerWaalsContact C-N 3.28Å; E1216-A1218 PolarHBondContact O-N 3.08Å; E1216-R1221 IonicContact OE1-CZ 3.24Å; E1216-R1221 IonicContact OE1-NH1 3.37Å; E1216-R1221 PolarHBondContact OE1-NH1 3.32Å; E1216-R1221 IonicContact OE1-NH2 3.35Å; E1216-R1221 PolarHBondContact OE1-NH2 3.16Å
1217N84.9Confident87.2Confident94 Ų9452.2 Ų52.250%0.50326%0.262SS..THydrogen-bonded Turntrans-81.50.5-175.9-59.27.3000113.6Y1052 C1215 Q1222Y1052-N1217 PolarHBondContact OH-O 3.47Å; C1215-N1217 VanDerWaalsContact C-N 3.28Å; C1215-N1217 PolarHBondContact O-N 3.14Å; N1217-Q1222 PolarHBondContact O-NE2 2.98Å
1218A89.4Confident87.1Confident1 Ų153.2 Ų53.21%0.00826%0.261CS..  trans-65.6143.6-176.400000112.5Y1214 C1215 E1216 I1220 R1221 Q1222Y1214-A1218 HydrophobicContact CD1-CB 3.8Å; Y1214-A1218 HydrophobicContact CG-CB 4.22Å; C1215-A1218 VanDerWaalsContact O-CB 3.23Å; C1215-A1218 WeakPolarHBondContact O-CB 3.3Å; C1215-A1218 PolarHBondContact O-N 2.92Å; C1215-A1218 VanDerWaalsContact O-N 3.08Å; E1216-A1218 VanDerWaalsContact C-N 3.28Å; E1216-A1218 PolarHBondContact O-N 3.08Å; A1218-I1220 VanDerWaalsContact C-N 3.31Å; A1218-I1220 PolarHBondContact O-N 3.06Å; A1218-I1220 VanDerWaalsContact O-N 3.16Å; A1218-R1221 PolarHBondContact O-N 3.23Å; A1218-Q1222 PolarHBondContact O-N 2.93Å
1219F91Very high87.1Confident0 Ų053.4 Ų53.40%025%0.254CS..Hα-helixtrans-44.8-52.5-179.2-178.8-112.9000113.3Y1052 V1056 L1120 R1221 Q1222 C1223 Q1227 L1230 L1234Y1052-F1219 HydrophobicContact CD1-CB 3.77Å; Y1052-F1219 AromaticContact CD1-CD2 3.61Å; Y1052-F1219 HydrophobicContact CD1-CD2 3.61Å; Y1052-F1219 HydrophobicContact CD1-CG 4.02Å; Y1052-F1219 HydrophobicContact CD2-CD2 4.32Å; Y1052-F1219 HydrophobicContact CE1-CB 3.52Å; Y1052-F1219 HydrophobicContact CE1-CD2 4.24Å; Y1052-F1219 HydrophobicContact CE1-CG 4.29Å; Y1052-F1219 AromaticContact CG-CD2 3.72Å; Y1052-F1219 HydrophobicContact CG-CD2 3.72Å; Y1052-F1219 PolarHBondContact OH-N 2.99Å; V1056-F1219 HydrophobicContact CG2-CE1 4.25Å; V1056-F1219 HydrophobicContact CG2-CE2 3.7Å; V1056-F1219 HydrophobicContact CG2-CZ 3.5Å; V1056-F1219 VanDerWaalsContact CG2-CZ 3.5Å; L1120-F1219 HydrophobicContact CD1-CB 4.31Å; L1120-F1219 HydrophobicContact CD1-CD1 3.58Å; L1120-F1219 HydrophobicContact CD1-CD2 4.29Å; L1120-F1219 HydrophobicContact CD1-CE1 3.93Å; L1120-F1219 HydrophobicContact CD1-CG 3.78Å; L1120-F1219 HydrophobicContact CD1-CZ 4.42Å; L1120-F1219 HydrophobicContact CD2-CD1 4.08Å; L1120-F1219 HydrophobicContact CD2-CE1 3.78Å; L1120-F1219 HydrophobicContact CD2-CZ 4.46Å; L1120-F1219 HydrophobicContact CG-CD1 3.71Å; L1120-F1219 HydrophobicContact CG-CE1 3.96Å; L1120-F1219 HydrophobicContact CG-CG 4.4Å; F1219-R1221 PolarHBondContact O-N 3.38Å; F1219-Q1222 CarbonylContact O-C 3.6Å; F1219-Q1222 WeakPolarHBondContact O-CA 3.26Å; F1219-Q1222 PolarHBondContact O-N 3.19Å; F1219-C1223 VanDerWaalsContact CE1-SG 3.55Å; F1219-C1223 PolarHBondContact O-N 3.35Å; F1219-C1223 PolarHBondContact O-SG 3.04Å; F1219-Q1227 HydrophobicContact CE2-CB 4.4Å; F1219-L1230 HydrophobicContact CE2-CB 4.19Å; F1219-L1230 HydrophobicContact CE2-CD1 4.38Å; F1219-L1230 HydrophobicContact CZ-CB 4.48Å; F1219-L1234 HydrophobicContact CE1-CD2 3.95Å; F1219-L1234 HydrophobicContact CZ-CD2 4.34Å
1220I90.8Very high87.1Confident1 Ų153.1 Ų53.11%0.00525%0.252CS..Hα-helixtrans-63.5-27.7-176.1-55.4-62.5000112.4L1121 L1203 V1204 L1210 Y1214 A1218L1121-I1220 HydrophobicContact CD2-CD1 3.6Å; L1121-I1220 HydrophobicContact CD2-CG1 4.02Å; L1203-I1220 HydrophobicContact CD2-CG2 4.48Å; L1203-I1220 HydrophobicContact CG-CG2 4.46Å; V1204-I1220 HydrophobicContact CG2-CG2 3.87Å; L1210-I1220 HydrophobicContact CD1-CG2 4.18Å; L1210-I1220 HydrophobicContact CD2-CG2 3.49Å; L1210-I1220 VanDerWaalsContact CD2-CG2 3.49Å; L1210-I1220 HydrophobicContact CG-CG2 4.5Å; Y1214-I1220 HydrophobicContact CE2-CB 4.48Å; Y1214-I1220 HydrophobicContact CE2-CG2 4.47Å; A1218-I1220 VanDerWaalsContact C-N 3.31Å; A1218-I1220 PolarHBondContact O-N 3.06Å; A1218-I1220 VanDerWaalsContact O-N 3.16Å
1221R89.6Confident87.2Confident57 Ų5754.1 Ų54.122%0.21526%0.257CS..Hα-helixtrans-79-35.6170.9-71.2-159.663.3-152.9-20112.3L1210 C1215 E1216 A1218 F1219 C1223L1210-R1221 HydrophobicContact CB-CG 4Å; L1210-R1221 HydrophobicContact CD1-CG 4.36Å; C1215-R1221 WeakPolarHBondContact O-CD 3.45Å; E1216-R1221 IonicContact OE1-CZ 3.24Å; E1216-R1221 IonicContact OE1-NH1 3.37Å; E1216-R1221 PolarHBondContact OE1-NH1 3.32Å; E1216-R1221 IonicContact OE1-NH2 3.35Å; E1216-R1221 PolarHBondContact OE1-NH2 3.16Å; A1218-R1221 PolarHBondContact O-N 3.23Å; F1219-R1221 PolarHBondContact O-N 3.38Å; R1221-C1223 VanDerWaalsContact C-N 3.31Å; R1221-C1223 PolarHBondContact O-N 3.35Å
1222Q87.6Confident87.4Confident21 Ų2148 Ų4810%0.09824%0.242CC..Hα-helixtrans-70.9-23.1176.3-64.2-155.446.100113.6N1217 A1218 F1219 R1224 A1225 S1226 Q1227N1217-Q1222 PolarHBondContact O-NE2 2.98Å; A1218-Q1222 PolarHBondContact O-N 2.93Å; F1219-Q1222 CarbonylContact O-C 3.6Å; F1219-Q1222 WeakPolarHBondContact O-CA 3.26Å; F1219-Q1222 PolarHBondContact O-N 3.19Å; Q1222-R1224 PolarHBondContact O-N 3.21Å; Q1222-A1225 CarbonylContact O-C 3.59Å; Q1222-A1225 PolarHBondContact O-N 2.91Å; Q1222-S1226 PolarHBondContact O-N 3.38Å; Q1222-S1226 PolarHBondContact OE1-OG 2.92Å; Q1222-Q1227 HydrophobicContact CB-CB 3.91Å; Q1222-Q1227 HydrophobicContact CB-CG 3.91Å; Q1222-Q1227 PolarHBondContact O-N 3.31Å
1223C88.2Confident87.6Confident5 Ų545.5 Ų45.53%0.03424%0.239CC..THydrogen-bonded Turntrans-54.6-24.4176.6-69.20000114.1V1204 F1219 R1221 R1228 H1231V1204-C1223 HydrophobicContact CG1-CB 3.93Å; V1204-C1223 HydrophobicContact CG2-CB 4.23Å; F1219-C1223 VanDerWaalsContact CE1-SG 3.55Å; F1219-C1223 PolarHBondContact O-N 3.35Å; F1219-C1223 PolarHBondContact O-SG 3.04Å; R1221-C1223 VanDerWaalsContact C-N 3.31Å; R1221-C1223 PolarHBondContact O-N 3.35Å; C1223-R1228 VanDerWaalsContact O-CG 3.29Å; C1223-R1228 WeakPolarHBondContact O-CG 3.44Å; C1223-H1231 HydrophobicContact CB-CB 3.99Å; C1223-H1231 VanDerWaalsContact SG-CD2 3.59Å
1224R82.8Confident87.9Confident98 Ų9845.5 Ų45.537%0.3724%0.239SC..THydrogen-bonded Turntrans-89.7-9.2175.1-57.1-168.981.1147.59.3114.4V1204 A1205 D1207 Q1222 R1228V1204-R1224 HydrophobicContact CG1-CG 3.87Å; V1204-R1224 WeakPolarHBondContact O-CD 3.29Å; A1205-R1224 VanDerWaalsContact C-NH1 3.3Å; A1205-R1224 PolarHBondContact O-NH1 2.87Å; D1207-R1224 WeakPolarHBondContact OD1-CD 3.45Å; D1207-R1224 IonicContact OD1-CZ 3.69Å; D1207-R1224 IonicContact OD1-NE 2.76Å; D1207-R1224 IonicContact OD1-NH1 3.96Å; D1207-R1224 PolarHBondContact OD1-NH1 3.02Å; D1207-R1224 IonicContact OD2-CZ 3.97Å; D1207-R1224 IonicContact OD2-NH1 2.61Å; D1207-R1224 PolarHBondContact OD2-NH1 2.91Å; Q1222-R1224 PolarHBondContact O-N 3.21Å; R1224-R1228 VanDerWaalsContact O-CZ 3.3Å; R1224-R1228 PolarHBondContact O-NE 3.22Å; R1224-R1228 PolarHBondContact O-NH2 3.32Å
1225A81.1Confident88Confident68 Ų6845.9 Ų45.956%0.56224%0.241SC*.THydrogen-bonded Turntrans-126-100.6-169.200000111.2Q1222Q1222-A1225 CarbonylContact O-C 3.59Å; Q1222-A1225 PolarHBondContact O-N 2.91Å
1226S80.8Confident88.3Confident57 Ų5746.8 Ų46.840%0.39925%0.245SC..THydrogen-bonded Turntrans-67.1-39.9179.838.30000113.3Q1222 R1228Q1222-S1226 PolarHBondContact O-N 3.38Å; Q1222-S1226 PolarHBondContact OE1-OG 2.92Å; S1226-R1228 PolarHBondContact O-N 2.97Å
1227Q84.3Confident88.6Confident12 Ų1242 Ų426%0.05622%0.223CC..THydrogen-bonded Turntrans-103.136.3-166.4-67.4-64.1-13.400113.4D1049 Y1052 F1219 Q1222 L1230 H1231D1049-Q1227 PolarHBondContact OD1-NE2 2.88Å; Y1052-Q1227 HydrophobicContact CD2-CG 4.46Å; F1219-Q1227 HydrophobicContact CE2-CB 4.4Å; Q1222-Q1227 HydrophobicContact CB-CB 3.91Å; Q1222-Q1227 HydrophobicContact CB-CG 3.91Å; Q1222-Q1227 PolarHBondContact O-N 3.31Å; Q1227-L1230 VanDerWaalsContact OE1-CD1 3.22Å; Q1227-H1231 WeakPolarHBondContact O-CB 3.33Å; Q1227-H1231 PolarHBondContact O-N 3.09Å; Q1227-H1231 VanDerWaalsContact O-N 3.13Å
1228R86.7Confident88.9Confident86 Ų8637.6 Ų37.633%0.32520%0.199SC..Hα-helixtrans-66-39176.7-72.9-176.6-174.6-165.79.8113V739 G740 C1223 R1224 S1226 H1231 A1232V739-R1228 VanDerWaalsContact O-CZ 3.32Å; V739-R1228 PolarHBondContact O-NH1 2.82Å; V739-R1228 PolarHBondContact O-NH2 2.75Å; G740-R1228 VanDerWaalsContact C-NH1 3.27Å; G740-R1228 WeakPolarHBondContact O-CD 3.34Å; G740-R1228 PolarHBondContact O-NH1 3.24Å; C1223-R1228 VanDerWaalsContact O-CG 3.29Å; C1223-R1228 WeakPolarHBondContact O-CG 3.44Å; R1224-R1228 VanDerWaalsContact O-CZ 3.3Å; R1224-R1228 PolarHBondContact O-NE 3.22Å; R1224-R1228 PolarHBondContact O-NH2 3.32Å; S1226-R1228 PolarHBondContact O-N 2.97Å; R1228-H1231 WeakPolarHBondContact O-CB 3.35Å; R1228-H1231 PolarHBondContact O-N 3.38Å; R1228-A1232 PolarHBondContact O-N 2.87Å
1229E86.4Confident89Confident115 Ų11542.3 Ų42.354%0.53722%0.221SC..Hα-helixtrans-68.5-48.1-178.7-67.7175.3-159.600110.9G743 H1231 A1232 D1233G743-E1229 WeakPolarHBondContact CA-OE1 3.26Å; E1229-H1231 PolarHBondContact O-N 3.38Å; E1229-A1232 PolarHBondContact O-N 3.34Å; E1229-D1233 PolarHBondContact O-N 3.28Å
1230L90.6Very high89Confident4 Ų445.6 Ų45.62%0.02124%0.236CC..Hα-helixtrans-59.2-32.3171.5-84.8-168.5000113.5Y1052 H1053 V1056 F1219 Q1227 L1234Y1052-L1230 VanDerWaalsContact C-CD1 3.47Å; H1053-L1230 HydrophobicContact CB-CD1 4.42Å; H1053-L1230 WeakPolarHBondContact ND1-CD2 3.49Å; V1056-L1230 HydrophobicContact CB-CD1 4.48Å; V1056-L1230 HydrophobicContact CB-CD2 4.1Å; V1056-L1230 HydrophobicContact CG1-CD2 4.02Å; V1056-L1230 HydrophobicContact CG2-CB 4.42Å; V1056-L1230 HydrophobicContact CG2-CD1 4.17Å; V1056-L1230 HydrophobicContact CG2-CD2 4.46Å; F1219-L1230 HydrophobicContact CE2-CB 4.19Å; F1219-L1230 HydrophobicContact CE2-CD1 4.38Å; F1219-L1230 HydrophobicContact CZ-CB 4.48Å; Q1227-L1230 VanDerWaalsContact OE1-CD1 3.22Å; L1230-L1234 VanDerWaalsContact O-CB 3.26Å; L1230-L1234 WeakPolarHBondContact O-CB 3.46Å; L1230-L1234 PolarHBondContact O-N 3.18Å
1231H91.7Very high88.8Confident22 Ų2245.5 Ų45.510%0.10224%0.236CC..Hα-helixtrans-68.8-41.7173.8-175.9-97.3000111.9L1200 N1201 C1223 Q1227 R1228 E1229 L1234 M1235L1200-H1231 WeakPolarHBondContact CD2-NE2 3.43Å; N1201-H1231 PolarHBondContact OD1-CE1 2.93Å; C1223-H1231 HydrophobicContact CB-CB 3.99Å; C1223-H1231 VanDerWaalsContact SG-CD2 3.59Å; Q1227-H1231 WeakPolarHBondContact O-CB 3.33Å; Q1227-H1231 PolarHBondContact O-N 3.09Å; Q1227-H1231 VanDerWaalsContact O-N 3.13Å; R1228-H1231 WeakPolarHBondContact O-CB 3.35Å; R1228-H1231 PolarHBondContact O-N 3.38Å; E1229-H1231 PolarHBondContact O-N 3.38Å; H1231-L1234 PolarHBondContact O-N 3.22Å; H1231-M1235 WeakPolarHBondContact O-CG 3.32Å; H1231-M1235 PolarHBondContact O-N 3.19Å
1232A91.7Very high88.7Confident41 Ų4145 Ų4534%0.33924%0.237SC..Hα-helixtrans-65.1-42.7175.500000112.3R1228 E1229 L1234 M1235 T1236R1228-A1232 PolarHBondContact O-N 2.87Å; E1229-A1232 PolarHBondContact O-N 3.34Å; A1232-L1234 VanDerWaalsContact C-N 3.32Å; A1232-L1234 PolarHBondContact O-N 2.87Å; A1232-M1235 PolarHBondContact O-N 2.89Å; A1232-T1236 WeakPolarHBondContact O-CB 3.31Å; A1232-T1236 PolarHBondContact O-N 3.3Å; A1232-T1236 PolarHBondContact O-OG1 3.21Å
1233D92.3Very high88.6Confident82 Ų8247.6 Ų47.644%0.43926%0.263SS..Hα-helixtrans-61.4-40.3174.6-75.5-21.8000111.7I1060 E1229 H1237I1060-D1233 HydrophobicContact CD1-CB 4.19Å; E1229-D1233 PolarHBondContact O-N 3.28Å; D1233-H1237 PolarHBondContact O-N 3.42Å; D1233-H1237 PolarHBondContact O-ND1 3.27Å
1234L93.5Very high88.4Confident1 Ų148.5 Ų48.51%0.00527%0.266CS..Hα-helixtrans-64.9-45.1175.3179.866.7000112V1056 V1059 L1120 F1219 L1230 H1231 A1232 H1237 L1238V1056-L1234 HydrophobicContact CG1-CB 4.14Å; V1056-L1234 HydrophobicContact CG1-CD1 4.44Å; V1059-L1234 HydrophobicContact CB-CD1 4.04Å; V1059-L1234 HydrophobicContact CG1-CD1 3.7Å; L1120-L1234 HydrophobicContact CD2-CD1 4.3Å; L1120-L1234 HydrophobicContact CD2-CD2 3.8Å; F1219-L1234 HydrophobicContact CE1-CD2 3.95Å; F1219-L1234 HydrophobicContact CZ-CD2 4.34Å; L1230-L1234 VanDerWaalsContact O-CB 3.26Å; L1230-L1234 WeakPolarHBondContact O-CB 3.46Å; L1230-L1234 PolarHBondContact O-N 3.18Å; H1231-L1234 PolarHBondContact O-N 3.22Å; A1232-L1234 VanDerWaalsContact C-N 3.32Å; A1232-L1234 PolarHBondContact O-N 2.87Å; L1234-H1237 PolarHBondContact O-N 3.05Å; L1234-L1238 HydrophobicContact CD1-CD1 4.16Å; L1234-L1238 HydrophobicContact CD1-CG 4.37Å; L1234-L1238 HydrophobicContact CG-CD1 4.11Å; L1234-L1238 WeakPolarHBondContact O-CG 3.23Å; L1234-L1238 PolarHBondContact O-N 3.28Å
1235M92.7Very high88.2Confident11 Ų1146.8 Ų46.85%0.05427%0.267CS..Hα-helixtrans-63.4-49177.5-70.2-52.893.700111.1P1197 L1200 H1231 A1232 H1237 L1238 E1239P1197-M1235 HydrophobicContact CB-SD 4.11Å; L1200-M1235 HydrophobicContact CB-CE 4.28Å; L1200-M1235 HydrophobicContact CD1-CE 4.03Å; L1200-M1235 HydrophobicContact CD2-CE 3.66Å; L1200-M1235 HydrophobicContact CD2-SD 4.48Å; L1200-M1235 HydrophobicContact CG-CE 4.18Å; H1231-M1235 WeakPolarHBondContact O-CG 3.32Å; H1231-M1235 PolarHBondContact O-N 3.19Å; A1232-M1235 PolarHBondContact O-N 2.89Å; M1235-H1237 PolarHBondContact O-N 3.15Å; M1235-H1237 VanDerWaalsContact O-N 3.14Å; M1235-L1238 HydrophobicContact CE-CD1 3.91Å; M1235-L1238 PolarHBondContact O-N 2.97Å; M1235-E1239 WeakPolarHBondContact O-CB 3.42Å; M1235-E1239 WeakPolarHBondContact O-CG 3.07Å; M1235-E1239 PolarHBondContact O-N 3.31Å
1236T92.5Very high88.3Confident77 Ų7744 Ų4447%0.47224%0.243SC..Hα-helixtrans-55.1-35.7179.7-54.40000112.2A1232A1232-T1236 WeakPolarHBondContact O-CB 3.31Å; A1232-T1236 PolarHBondContact O-N 3.3Å; A1232-T1236 PolarHBondContact O-OG1 3.21Å
1237H91.8Very high88.4Confident30 Ų3045.6 Ų45.614%0.13925%0.247CC..Hα-helixtrans-78.6-44.8174.4-74.891.4000112.8I1060 V1063 Q1064 D1233 L1234 M1235 E1239 Q1240I1060-H1237 HydrophobicContact CG1-CB 4.1Å; V1063-H1237 HydrophobicContact CG1-CB 4.19Å; V1063-H1237 WeakPolarHBondContact CG1-O 3.25Å; Q1064-H1237 PolarHBondContact NE2-NE2 3.28Å; Q1064-H1237 VanDerWaalsContact NE2-NE2 3.11Å; D1233-H1237 PolarHBondContact O-N 3.42Å; D1233-H1237 PolarHBondContact O-ND1 3.27Å; L1234-H1237 PolarHBondContact O-N 3.05Å; M1235-H1237 PolarHBondContact O-N 3.15Å; M1235-H1237 VanDerWaalsContact O-N 3.14Å; H1237-E1239 PolarHBondContact O-N 2.94Å; H1237-Q1240 PolarHBondContact CD2-NE2 3.18Å; H1237-Q1240 VanDerWaalsContact O-CB 3.27Å; H1237-Q1240 WeakPolarHBondContact O-CB 3.45Å; H1237-Q1240 PolarHBondContact O-N 3.09Å
1238L91.9Very high88.4Confident0 Ų045.5 Ų45.50%025%0.246CC..Hα-helixtrans-61.8-27.3177-69.6175.9000112.7V1059 V1063 V1113 L1196 P1197 L1200 L1234 M1235 Q1240 L1241V1059-L1238 HydrophobicContact CG1-CD2 4.43Å; V1063-L1238 HydrophobicContact CG2-CD2 4.08Å; V1113-L1238 HydrophobicContact CG1-CD2 4.49Å; L1196-L1238 HydrophobicContact CD2-CD2 4.14Å; P1197-L1238 HydrophobicContact CG-CB 4.07Å; L1200-L1238 HydrophobicContact CD1-CD1 4.29Å; L1234-L1238 HydrophobicContact CD1-CD1 4.16Å; L1234-L1238 HydrophobicContact CD1-CG 4.37Å; L1234-L1238 HydrophobicContact CG-CD1 4.11Å; L1234-L1238 WeakPolarHBondContact O-CG 3.23Å; L1234-L1238 PolarHBondContact O-N 3.28Å; M1235-L1238 HydrophobicContact CE-CD1 3.91Å; M1235-L1238 PolarHBondContact O-N 2.97Å; L1238-Q1240 VanDerWaalsContact C-N 3.33Å; L1238-L1241 HydrophobicContact CD2-CD1 4.12Å; L1238-L1241 WeakPolarHBondContact O-CB 3.45Å; L1238-L1241 PolarHBondContact O-N 2.98Å
1239E91.9Very high88.3Confident101 Ų10144.5 Ų44.547%0.47225%0.248SC..Hα-helixtrans-65.5-30.5171.2-76.1172.3-165.100113.3P1197 M1235 H1237 L1241 L1242P1197-E1239 HydrophobicContact CB-CG 4.37Å; P1197-E1239 HydrophobicContact CG-CG 4.08Å; M1235-E1239 WeakPolarHBondContact O-CB 3.42Å; M1235-E1239 WeakPolarHBondContact O-CG 3.07Å; M1235-E1239 PolarHBondContact O-N 3.31Å; H1237-E1239 PolarHBondContact O-N 2.94Å; E1239-L1241 PolarHBondContact O-N 3.38Å; E1239-L1242 HydrophobicContact CG-CD1 4.5Å; E1239-L1242 VanDerWaalsContact O-CB 3.29Å; E1239-L1242 WeakPolarHBondContact O-CB 3.44Å; E1239-L1242 PolarHBondContact O-N 2.66Å
1240Q89.9Confident88.2Confident68 Ų6839.6 Ų39.632%0.31823%0.225SC..Hα-helixtrans-62.6-29.7175-60.716912.300112V1067 H1237 L1238 L1242 A1243 F1244V1067-Q1240 HydrophobicContact CG2-CB 3.97Å; H1237-Q1240 PolarHBondContact CD2-NE2 3.18Å; H1237-Q1240 VanDerWaalsContact O-CB 3.27Å; H1237-Q1240 WeakPolarHBondContact O-CB 3.45Å; H1237-Q1240 PolarHBondContact O-N 3.09Å; L1238-Q1240 VanDerWaalsContact C-N 3.33Å; Q1240-L1242 VanDerWaalsContact C-N 3.27Å; Q1240-L1242 PolarHBondContact O-N 2.87Å; Q1240-A1243 WeakPolarHBondContact O-CB 3.19Å; Q1240-A1243 PolarHBondContact O-N 2.94Å; Q1240-F1244 WeakPolarHBondContact O-CE2 3.44Å
1241L87.6Confident87.8Confident0 Ų041.5 Ų41.50%024%0.239CC..Hα-helixtrans-65.3-32.4173.2-60.6-179.1000111.5V1063 T1066 V1067 V1113 L1191 L1238 E1239 A1243 F1244 F1246V1063-L1241 HydrophobicContact CG1-CD2 4Å; V1063-L1241 HydrophobicContact CG1-CG 4.09Å; V1063-L1241 HydrophobicContact CG2-CD1 4.16Å; V1063-L1241 HydrophobicContact CG2-CG 4.38Å; T1066-L1241 HydrophobicContact CG2-CD2 3.68Å; V1067-L1241 HydrophobicContact CG2-CD2 4.45Å; V1113-L1241 HydrophobicContact CG1-CD1 4.26Å; L1191-L1241 HydrophobicContact CD2-CB 4.35Å; L1191-L1241 HydrophobicContact CD2-CD1 3.89Å; L1238-L1241 HydrophobicContact CD2-CD1 4.12Å; L1238-L1241 WeakPolarHBondContact O-CB 3.45Å; L1238-L1241 PolarHBondContact O-N 2.98Å; E1239-L1241 PolarHBondContact O-N 3.38Å; L1241-A1243 PolarHBondContact O-N 3.45Å; L1241-A1243 VanDerWaalsContact O-N 3.14Å; L1241-F1244 PolarHBondContact O-N 3.32Å; L1241-F1246 HydrophobicContact CB-CE2 3.91Å; L1241-F1246 HydrophobicContact CB-CZ 4.08Å; L1241-F1246 HydrophobicContact CD2-CZ 4.39Å; L1241-F1246 WeakPolarHBondContact O-CE2 3.09Å; L1241-F1246 WeakPolarHBondContact O-CZ 3.46Å
1242L86.1Confident87.3Confident45 Ų4544.4 Ų44.424%0.23625%0.254CS..THydrogen-bonded Turntrans-67.5-14.1-178.3-52.1-171.9000113.3K1194 P1197 E1239 Q1240 F1244K1194-L1242 HydrophobicContact CB-CD2 3.92Å; K1194-L1242 WeakPolarHBondContact CD-O 3.43Å; K1194-L1242 VanDerWaalsContact CE-O 3.31Å; K1194-L1242 WeakPolarHBondContact CE-O 3.4Å; K1194-L1242 HydrophobicContact CG-CD2 4.38Å; K1194-L1242 PolarHBondContact NZ-O 3.35Å; K1194-L1242 WeakPolarHBondContact O-CD2 3.42Å; P1197-L1242 HydrophobicContact CG-CD1 3.98Å; P1197-L1242 HydrophobicContact CG-CD2 4.48Å; P1197-L1242 HydrophobicContact CG-CG 4.35Å; E1239-L1242 HydrophobicContact CG-CD1 4.5Å; E1239-L1242 VanDerWaalsContact O-CB 3.29Å; E1239-L1242 WeakPolarHBondContact O-CB 3.44Å; E1239-L1242 PolarHBondContact O-N 2.66Å; Q1240-L1242 VanDerWaalsContact C-N 3.27Å; Q1240-L1242 PolarHBondContact O-N 2.87Å; L1242-F1244 PolarHBondContact O-N 3Å
1243A85.8Confident86.6Confident77 Ų7742.5 Ų42.564%0.63624%0.238SC*.THydrogen-bonded Turntrans-62.1-29.2170.600000112.5Q1240 L1241Q1240-A1243 WeakPolarHBondContact O-CB 3.19Å; Q1240-A1243 PolarHBondContact O-N 2.94Å; L1241-A1243 PolarHBondContact O-N 3.45Å; L1241-A1243 VanDerWaalsContact O-N 3.14Å
1244F83.5Confident85.9Confident23 Ų2339.4 Ų39.410%0.10122%0.222CC..SBendtrans-95142.5-172.2-58.3-84.2000112.2V1067 Y1070 K1194 Q1240 L1241 L1242 F1246V1067-F1244 HydrophobicContact CB-CE2 4.48Å; V1067-F1244 HydrophobicContact CG1-CE2 4.28Å; V1067-F1244 HydrophobicContact CG1-CZ 4.22Å; V1067-F1244 HydrophobicContact CG2-CE2 4.12Å; Y1070-F1244 HydrophobicContact CD2-CD1 4.43Å; Y1070-F1244 HydrophobicContact CD2-CG 4.49Å; Y1070-F1244 HydrophobicContact CG-CD1 4.2Å; Y1070-F1244 HydrophobicContact CG-CE1 4.35Å; K1194-F1244 WeakPolarHBondContact CE-O 3.47Å; K1194-F1244 PolarHBondContact NZ-O 3.31Å; Q1240-F1244 WeakPolarHBondContact O-CE2 3.44Å; L1241-F1244 PolarHBondContact O-N 3.32Å; L1242-F1244 PolarHBondContact O-N 3Å; F1244-F1246 HydrophobicContact CB-CD1 4.24Å; F1244-F1246 HydrophobicContact CB-CE1 3.6Å; F1244-F1246 HydrophobicContact CB-CE2 4.31Å; F1244-F1246 HydrophobicContact CB-CZ 3.67Å; F1244-F1246 HydrophobicContact CD2-CZ 4.36Å; F1244-F1246 HydrophobicContact CG-CE1 4.41Å; F1244-F1246 HydrophobicContact CG-CZ 4.37Å; F1244-F1246 PolarHBondContact O-N 2.92Å
1245P80Confident84.8Confident62 Ų6247.4 Ų47.440%0.40325%0.252SS..  trans-86.680.1176.934.2-33000110.7Y1096 N1247Y1096-P1245 HydrophobicContact CD2-CG 3.89Å; Y1096-P1245 HydrophobicContact CE2-CG 3.94Å; P1245-N1247 PolarHBondContact O-ND2 3.12Å
1246F82.4Confident83.8Confident10 Ų1049 Ų494%0.04426%0.259CS..  trans-65.2136.3176.2-54.8-53.9000111.8Y1070 L1110 L1191 N1192 L1241 F1244Y1070-F1246 HydrophobicContact CD2-CE1 4.42Å; Y1070-F1246 AromaticContact CE2-CE1 3.94Å; Y1070-F1246 HydrophobicContact CE2-CE1 3.94Å; L1110-F1246 HydrophobicContact CD1-CD1 3.48Å; L1110-F1246 VanDerWaalsContact CD1-CD1 3.48Å; L1110-F1246 HydrophobicContact CD1-CE1 3.6Å; L1110-F1246 HydrophobicContact CD1-CG 4.31Å; L1110-F1246 HydrophobicContact CD1-CZ 4.48Å; L1110-F1246 HydrophobicContact CD2-CD1 4.1Å; L1110-F1246 HydrophobicContact CD2-CE1 3.5Å; L1110-F1246 HydrophobicContact CD2-CE2 4.28Å; L1110-F1246 HydrophobicContact CD2-CZ 3.59Å; L1110-F1246 HydrophobicContact CG-CD1 4.42Å; L1110-F1246 HydrophobicContact CG-CE1 4.09Å; L1191-F1246 HydrophobicContact CB-CD2 3.83Å; L1191-F1246 HydrophobicContact CB-CE2 4.45Å; L1191-F1246 HydrophobicContact CB-CG 4.4Å; L1191-F1246 HydrophobicContact CD2-CD2 4.11Å; L1191-F1246 HydrophobicContact CD2-CE2 3.87Å; N1192-F1246 PolarHBondContact OD1-O 2.98Å; L1241-F1246 HydrophobicContact CB-CE2 3.91Å; L1241-F1246 HydrophobicContact CB-CZ 4.08Å; L1241-F1246 HydrophobicContact CD2-CZ 4.39Å; L1241-F1246 WeakPolarHBondContact O-CE2 3.09Å; L1241-F1246 WeakPolarHBondContact O-CZ 3.46Å; F1244-F1246 HydrophobicContact CB-CD1 4.24Å; F1244-F1246 HydrophobicContact CB-CE1 3.6Å; F1244-F1246 HydrophobicContact CB-CE2 4.31Å; F1244-F1246 HydrophobicContact CB-CZ 3.67Å; F1244-F1246 HydrophobicContact CD2-CZ 4.36Å; F1244-F1246 HydrophobicContact CG-CE1 4.41Å; F1244-F1246 HydrophobicContact CG-CZ 4.37Å; F1244-F1246 PolarHBondContact O-N 2.92Å
1247N82.6Confident82.2Confident91 Ų9149.8 Ų49.849%0.48727%0.266SS..  trans-13639.9-178.5-78.2-92.9000109.8S1097 P1245 D1249S1097-N1247 WeakPolarHBondContact CB-O 3.45Å; P1245-N1247 PolarHBondContact O-ND2 3.12Å; N1247-D1249 PolarHBondContact O-N 2.58Å
1248L84.1Confident80.7Confident9 Ų951.2 Ų51.25%0.04727%0.271CS..  trans-62.4125.1-174.6-59.7173.9000110.4E1100 L1110 C1188 L1191 N1192 I1250E1100-L1248 VanDerWaalsContact OE2-CD2 3.32Å; E1100-L1248 WeakPolarHBondContact OE2-CD2 3.33Å; L1110-L1248 HydrophobicContact CD1-CD1 4.29Å; L1110-L1248 HydrophobicContact CD1-CD2 3.83Å; L1110-L1248 HydrophobicContact CD1-CG 4.41Å; C1188-L1248 HydrophobicContact CB-CD1 3.9Å; L1191-L1248 HydrophobicContact CD1-CD1 4.41Å; N1192-L1248 PolarHBondContact ND2-O 3.13Å; N1192-L1248 WeakPolarHBondContact OD1-CB 3.42Å; N1192-L1248 PolarHBondContact OD1-N 2.9Å; L1248-I1250 PolarHBondContact O-N 3.13Å
1249D84.6Confident78.7Confident66 Ų6656.1 Ų56.135%0.35330%0.297SS..  trans-71.4102.1164.2175.813000108.6N1247 S1251 I1252 E1253N1247-D1249 PolarHBondContact O-N 2.58Å; D1249-S1251 PolarHBondContact O-N 3.18Å; D1249-S1251 VanDerWaalsContact O-N 3.1Å; D1249-S1251 WeakPolarHBondContact OD1-CA 3.43Å; D1249-S1251 WeakPolarHBondContact OD1-CB 3.34Å; D1249-S1251 PolarHBondContact OD1-N 3.4Å; D1249-S1251 PolarHBondContact OD1-OG 3.45Å; D1249-I1252 HydrophobicContact CB-CB 4.21Å; D1249-I1252 HydrophobicContact CB-CD1 4.12Å; D1249-I1252 HydrophobicContact CB-CG1 4.36Å; D1249-I1252 PolarHBondContact O-N 2.86Å; D1249-I1252 VanDerWaalsContact OD2-CD1 3.26Å; D1249-I1252 WeakPolarHBondContact OD2-CD1 3.36Å; D1249-I1252 WeakPolarHBondContact OD2-CG1 3.47Å; D1249-I1252 PolarHBondContact OD2-N 2.83Å; D1249-E1253 WeakPolarHBondContact O-CB 3.47Å; D1249-E1253 PolarHBondContact O-N 3.31Å
1250I85.5Confident76.4Confident12 Ų1254.8 Ų54.86%0.06229%0.292CS..Hα-helixtrans-52.7-34.8178.1-52.9166.9000110.2Q1169 V1170 L1173 C1188 A1189 L1248 E1253 V1254Q1169-I1250 HydrophobicContact CB-CD1 4.13Å; V1170-I1250 HydrophobicContact CG2-CG2 4.49Å; L1173-I1250 HydrophobicContact CD1-CB 4.24Å; L1173-I1250 HydrophobicContact CD1-CG2 3.6Å; C1188-I1250 HydrophobicContact CB-CG1 4.43Å; A1189-I1250 HydrophobicContact CB-CD1 3.74Å; L1248-I1250 PolarHBondContact O-N 3.13Å; I1250-E1253 PolarHBondContact O-N 3.2Å; I1250-V1254 HydrophobicContact CG2-CG2 4.01Å; I1250-V1254 WeakPolarHBondContact O-CB 3.48Å; I1250-V1254 WeakPolarHBondContact O-CG2 3.35Å; I1250-V1254 PolarHBondContact O-N 2.96Å
1251S82.4Confident73.9Confident44 Ų4455.5 Ų55.531%0.30831%0.305SS..Hα-helixtrans-68.1-34.5179.8-330000113D1249 R1255D1249-S1251 PolarHBondContact O-N 3.18Å; D1249-S1251 VanDerWaalsContact O-N 3.1Å; D1249-S1251 WeakPolarHBondContact OD1-CA 3.43Å; D1249-S1251 WeakPolarHBondContact OD1-CB 3.34Å; D1249-S1251 PolarHBondContact OD1-N 3.4Å; D1249-S1251 PolarHBondContact OD1-OG 3.45Å; S1251-R1255 PolarHBondContact O-NE 2.82Å; S1251-R1255 PolarHBondContact O-NH2 2.93Å
1252I79.9Confident71.4Confident82 Ų8263.3 Ų63.342%0.42134%0.342SS..Hα-helixtrans-77.9-46.9171.6-74165.8000109.7D1249 V1254 R1255 K1256D1249-I1252 HydrophobicContact CB-CB 4.21Å; D1249-I1252 HydrophobicContact CB-CD1 4.12Å; D1249-I1252 HydrophobicContact CB-CG1 4.36Å; D1249-I1252 PolarHBondContact O-N 2.86Å; D1249-I1252 VanDerWaalsContact OD2-CD1 3.26Å; D1249-I1252 WeakPolarHBondContact OD2-CD1 3.36Å; D1249-I1252 WeakPolarHBondContact OD2-CG1 3.47Å; D1249-I1252 PolarHBondContact OD2-N 2.83Å; I1252-V1254 PolarHBondContact O-N 3.34Å; I1252-R1255 VanDerWaalsContact CG1-NH2 3.28Å; I1252-R1255 WeakPolarHBondContact O-CA 3.42Å; I1252-R1255 WeakPolarHBondContact O-CB 3.34Å; I1252-R1255 PolarHBondContact O-N 2.96Å; I1252-K1256 PolarHBondContact O-N 2.98Å; I1252-K1256 VanDerWaalsContact O-N 3.15Å
1253E78.2Confident69Low2 Ų266.1 Ų66.11%0.00936%0.356CS..Hα-helixtrans-63.3-42.1-173.7-171.347.9-118.100112.5L1111 K1184 C1188 D1249 I1250 R1255 K1256L1111-E1253 VanDerWaalsContact CD1-CD 3.44Å; L1111-E1253 VanDerWaalsContact CD1-OE1 3.22Å; L1111-E1253 WeakPolarHBondContact CD1-OE1 3.4Å; L1111-E1253 VanDerWaalsContact CD1-OE2 3.24Å; L1111-E1253 WeakPolarHBondContact CD1-OE2 3.33Å; L1111-E1253 WeakPolarHBondContact CD2-OE1 3.44Å; L1111-E1253 WeakPolarHBondContact CG-OE1 3.34Å; K1184-E1253 WeakPolarHBondContact CE-O 3.32Å; K1184-E1253 WeakPolarHBondContact CE-OE1 3.46Å; K1184-E1253 PolarHBondContact NZ-O 2.8Å; K1184-E1253 IonicContact NZ-OE1 3.13Å; K1184-E1253 PolarHBondContact NZ-OE1 3.01Å; C1188-E1253 HydrophobicContact CB-CG 4.43Å; C1188-E1253 WeakPolarHBondContact SG-CG 3.43Å; D1249-E1253 WeakPolarHBondContact O-CB 3.47Å; D1249-E1253 PolarHBondContact O-N 3.31Å; I1250-E1253 PolarHBondContact O-N 3.2Å; E1253-R1255 PolarHBondContact O-N 2.99Å; E1253-K1256 PolarHBondContact O-N 2.76Å; E1253-K1256 VanDerWaalsContact O-N 3.13Å; E1253-K1256 VanDerWaalsContact OE2-CD 3.29Å; E1253-K1256 WeakPolarHBondContact OE2-CD 3.47Å; E1253-K1256 WeakPolarHBondContact OE2-CE 3.31Å; E1253-K1256 IonicContact OE2-NZ 2.76Å; E1253-K1256 PolarHBondContact OE2-NZ 2.91Å
1254V76.6Confident66.6Low17 Ų1767.6 Ų67.610%0.10335%0.353CS..THydrogen-bonded Turntrans-53.8-33170.21510000113.2L1173 I1176 T1181 I1250 I1252L1173-V1254 HydrophobicContact CD1-CG2 4.29Å; I1176-V1254 HydrophobicContact CD1-CB 4.17Å; I1176-V1254 HydrophobicContact CD1-CG1 3.49Å; I1176-V1254 VanDerWaalsContact CD1-CG1 3.49Å; I1176-V1254 HydrophobicContact CD1-CG2 3.6Å; I1176-V1254 HydrophobicContact CG1-CG1 3.58Å; T1181-V1254 HydrophobicContact CG2-CB 4.35Å; T1181-V1254 HydrophobicContact CG2-CG1 3.77Å; T1181-V1254 VanDerWaalsContact CG2-O 3.31Å; T1181-V1254 WeakPolarHBondContact CG2-O 3.31Å; I1250-V1254 HydrophobicContact CG2-CG2 4.01Å; I1250-V1254 WeakPolarHBondContact O-CB 3.48Å; I1250-V1254 WeakPolarHBondContact O-CG2 3.35Å; I1250-V1254 PolarHBondContact O-N 2.96Å; I1252-V1254 PolarHBondContact O-N 3.34Å
1255R71.7Confident64.2Low169 Ų16972.3 Ų72.364%0.63838%0.379SS*.THydrogen-bonded Turntrans-84.5-23.5179.7-73.5-179.3-74.5155.1-3.9113.3S1251 I1252 E1253S1251-R1255 PolarHBondContact O-NE 2.82Å; S1251-R1255 PolarHBondContact O-NH2 2.93Å; I1252-R1255 VanDerWaalsContact CG1-NH2 3.28Å; I1252-R1255 WeakPolarHBondContact O-CA 3.42Å; I1252-R1255 WeakPolarHBondContact O-CB 3.34Å; I1252-R1255 PolarHBondContact O-N 2.96Å; E1253-R1255 PolarHBondContact O-N 2.99Å
1256K71.1Confident61.9Low44 Ų4475.1 Ų75.119%0.19139%0.391CS..SBendtrans-63.4121173.5-60.3-177.9-162.3161.20108.6E1100 L1111 K1184 I1252 E1253E1100-K1256 IonicContact OE1-NZ 2.81Å; E1100-K1256 PolarHBondContact OE1-NZ 3.16Å; L1111-K1256 HydrophobicContact CD1-CD 4.4Å; L1111-K1256 HydrophobicContact CD2-CB 4.08Å; L1111-K1256 HydrophobicContact CD2-CD 3.81Å; K1184-K1256 PolarHBondContact NZ-O 3.2Å; I1252-K1256 PolarHBondContact O-N 2.98Å; I1252-K1256 VanDerWaalsContact O-N 3.15Å; E1253-K1256 PolarHBondContact O-N 2.76Å; E1253-K1256 VanDerWaalsContact O-N 3.13Å; E1253-K1256 VanDerWaalsContact OE2-CD 3.29Å; E1253-K1256 WeakPolarHBondContact OE2-CD 3.47Å; E1253-K1256 WeakPolarHBondContact OE2-CE 3.31Å; E1253-K1256 IonicContact OE2-NZ 2.76Å; E1253-K1256 PolarHBondContact OE2-NZ 2.91Å
1257P59.5Low59.5Low94 Ų9480 Ų8061%0.6142%0.417SS*.  trans-61.5153.4-173.925.4-34.6000111.7I1259P1257-I1259 HydrophobicContact CG-CG1 4.49Å; P1257-I1259 PolarHBondContact O-N 2.81Å
1258F59.1Low57.1Low60 Ų6083.2 Ų83.226%0.26343%0.434SS..  trans-74.392.3173.3-146.8-88.2000107.9I1114 P1115 T1118 D1260I1114-F1258 HydrophobicContact CG2-CE2 4.34Å; P1115-F1258 HydrophobicContact CB-CE1 3.9Å; P1115-F1258 HydrophobicContact CB-CZ 4.06Å; P1115-F1258 HydrophobicContact CG-CE1 4.05Å; P1115-F1258 HydrophobicContact CG-CZ 4.1Å; T1118-F1258 HydrophobicContact CG2-CZ 4.31Å; F1258-D1260 VanDerWaalsContact C-N 3.28Å; F1258-D1260 WeakPolarHBondContact CD1-OD1 3.16Å; F1258-D1260 PolarHBondContact O-N 3.14Å
1259I50.1Low54.6Low103 Ų10388.6 Ų88.653%0.52847%0.467SS..  trans-7588.1174.1-57179.1000107.1P1257 S1261 L1264P1257-I1259 HydrophobicContact CG-CG1 4.49Å; P1257-I1259 PolarHBondContact O-N 2.81Å; I1259-S1261 PolarHBondContact O-N 2.96Å; I1259-L1264 HydrophobicContact CG2-CD1 4.18Å
1260D43.3Very low52.1Low72 Ų7294.1 Ų94.139%0.38549%0.488SS..  trans-54.2115168.1-73.5-41.8000108F1258 Q1262 L1263F1258-D1260 VanDerWaalsContact C-N 3.28Å; F1258-D1260 WeakPolarHBondContact CD1-OD1 3.16Å; F1258-D1260 PolarHBondContact O-N 3.14Å; D1260-Q1262 PolarHBondContact O-N 3.43Å; D1260-L1263 PolarHBondContact O-N 3.36Å
1261S38.3Very low49.3Very low84 Ų84100.7 Ų100.759%0.58753%0.529SS*.Hα-helixtrans-61.8-19.5-174.8-46.10000112.9I1259 L1263 L1264I1259-S1261 PolarHBondContact O-N 2.96Å; S1261-L1263 PolarHBondContact O-N 3.32Å; S1261-L1264 PolarHBondContact O-N 3.35Å
1262Q35.6Very low46.9Very low163 Ų163103.4 Ų103.476%0.76255%0.548SS*.Hα-helixtrans-56.7-31168-64.4-72.8-24.600113.5D1260D1260-Q1262 PolarHBondContact O-N 3.43Å
1263L35.1Very low44.7Very low104 Ų104106.1 Ų106.155%0.54556%0.562SS.*Hα-helixtrans-89.6-22-178.8-92.4164.8000113.8D1260 S1261 N1266 N1267D1260-L1263 PolarHBondContact O-N 3.36Å; S1261-L1263 PolarHBondContact O-N 3.32Å; L1263-N1266 PolarHBondContact O-N 3.04Å; L1263-N1267 PolarHBondContact O-ND2 3.09Å
1264L35Very low42.2Very low109 Ų109111.4 Ų111.457%0.57160%0.596SS**Hα-helixtrans-73.6-35.3-176.5-153.574.3000112.2I1259 S1261 N1266I1259-L1264 HydrophobicContact CG2-CD1 4.18Å; S1261-L1264 PolarHBondContact O-N 3.35Å; L1264-N1266 VanDerWaalsContact C-N 3.28Å; L1264-N1266 PolarHBondContact O-N 3.46Å
1265N32.8Very low39.9Very low121 Ų121115.5 Ų115.565%0.64763%0.626SS**THydrogen-bonded Turntrans-67.2-25176.6-75.8-2.7000113.6
1266N31.7Very low37.8Very low122 Ų122112.4 Ų112.465%0.65263%0.626SS**THydrogen-bonded Turntrans-95.3-2.6-174.3-67.8-15.3000114.1L1263 L1264L1263-N1266 PolarHBondContact O-N 3.04Å; L1264-N1266 VanDerWaalsContact C-N 3.28Å; L1264-N1266 PolarHBondContact O-N 3.46Å
1267N32.9Very low35.9Very low111 Ų111120 Ų12059%0.59466%0.655SS**THydrogen-bonded Turntrans-114-5.8-179.6-72.3-72.9000113.7L1263 T1269L1263-N1267 PolarHBondContact O-ND2 3.09Å; N1267-T1269 PolarHBondContact O-N 3.23Å
1268L32.1Very low34.4Very low160 Ų160122.8 Ų122.884%0.83866%0.661SS**SBendtrans-84.813178.4-15168.3000113.7
1269T31.6Very low32.9Very low121 Ų121125.4 Ų125.474%0.74268%0.682SS**SBendtrans-13045.5176.859.80000111.4N1267N1267-T1269 PolarHBondContact O-N 3.23Å
1270K30.8Very low31.9Very low182 Ų182126.7 Ų126.779%0.79170%0.695SS**  trans-148.774.6172.8-128173.2-171.2177.40113.1S1272K1270-S1272 PolarHBondContact O-N 2.6Å
1271T28.2Very low31.1Very low151 Ų151130.1 Ų130.193%0.92671%0.713SS**  trans-65.767162.438.10000110.9
1272S31.2Very low30.9Very low100 Ų100131.2 Ų131.270%0.69972%0.721SS**  trans-92.899.7174.3-175.30000109.4K1270K1270-S1272 PolarHBondContact O-N 2.6Å
1273I33.7Very low30.6Very low139 Ų139132.5 Ų132.571%0.71372%0.724SS**  trans-24131167.6-59.7159.5000112.6S1275I1273-S1275 PolarHBondContact O-N 2.75Å
1274P25.5Very low30.4Very low113 Ų113135.5 Ų135.573%0.73474%0.735SS**  trans-66.1100.3168.828.8-32.8000108.7T1276P1274-T1276 PolarHBondContact O-N 2.78Å; P1274-T1276 PolarHBondContact O-OG1 2.78Å
1275S29.5Very low30Very low104 Ų104136.5 Ų136.573%0.72774%0.741SS**  trans-73.591.8-177.4-1720000110.3I1273 Y1277I1273-S1275 PolarHBondContact O-N 2.75Å; S1275-Y1277 WeakPolarHBondContact O-CD1 3.39Å; S1275-Y1277 PolarHBondContact O-N 3Å
1276T27.1Very low29.8Very low103 Ų103136.7 Ų136.763%0.63274%0.742SS**  trans-60.993.2-176.1-52.30000112.5P1274 M1278P1274-T1276 PolarHBondContact O-N 2.78Å; P1274-T1276 PolarHBondContact O-OG1 2.78Å; T1276-M1278 VanDerWaalsContact C-N 3.34Å; T1276-M1278 HydrophobicContact CG2-CE 4.02Å; T1276-M1278 HydrophobicContact CG2-CG 4.31Å; T1276-M1278 HydrophobicContact CG2-SD 4.25Å; T1276-M1278 PolarHBondContact O-N 2.77Å
1277Y30.4Very low29.8Very low205 Ų205138.7 Ų138.780%0.80475%0.747SS**  trans-73.690.8165.146.7-90.4000109.6S1275 T1279S1275-Y1277 WeakPolarHBondContact O-CD1 3.39Å; S1275-Y1277 PolarHBondContact O-N 3Å; Y1277-T1279 PolarHBondContact O-N 3.32Å; Y1277-T1279 PolarHBondContact O-OG1 3.44Å
1278M28.4Very low29.6Very low152 Ų152138 Ų13875%0.74975%0.751SS**  trans-52.4105.5174.8-79.2-67.7-179.400110.8T1276 T1280T1276-M1278 VanDerWaalsContact C-N 3.34Å; T1276-M1278 HydrophobicContact CG2-CE 4.02Å; T1276-M1278 HydrophobicContact CG2-CG 4.31Å; T1276-M1278 HydrophobicContact CG2-SD 4.25Å; T1276-M1278 PolarHBondContact O-N 2.77Å; M1278-T1280 PolarHBondContact O-N 3.05Å
1279T27.4Very low29.4Very low114 Ų114138.5 Ų138.570%0.69975%0.754SS**  trans-9279.9170.1-55.70000107.8Y1277 N1281Y1277-T1279 PolarHBondContact O-N 3.32Å; Y1277-T1279 PolarHBondContact O-OG1 3.44Å; T1279-N1281 PolarHBondContact O-N 3.32Å; T1279-N1281 VanDerWaalsContact O-N 3.12Å
1280T29.5Very low29.4Very low130 Ų130141.8 Ų141.880%0.79876%0.761SS**  trans-66.5106.917636.60000110M1278M1278-T1280 PolarHBondContact O-N 3.05Å
1281N27.2Very low29.2Very low144 Ų144136.2 Ų136.277%0.7776%0.755SS**  trans-139.768.3178.5-146.1-8.5000111.5T1279T1279-N1281 PolarHBondContact O-N 3.32Å; T1279-N1281 VanDerWaalsContact O-N 3.12Å
1282S33.2Very low29.5Very low108 Ų108137.1 Ų137.176%0.75575%0.753SS**  trans-105.9122.3159.9-82.10000107.6
1283K29.9Very low29.4Very low189 Ų189140.3 Ų140.382%0.82276%0.756SS**  71.563.673.5-68.8-178.5175.7-176.50114.6
1284H30.9Very low29.5Very low167 Ų167139.1 Ų139.177%0.77376%0.76SS**  -167.2134127.5-122.7-102.9000107.3
1285L27.1Very low29.8Very low131 Ų131139.8 Ų139.869%0.68676%0.763SS**  cis66.7115.747.1-89.2142.9000114.5
1286N28.6Very low30Very low125 Ų125139.1 Ų139.167%0.66876%0.763SS**  trans69150.9165.4-62.4-2.8000117.3
1287Q29.8Very low30.3Very low163 Ų163140.2 Ų140.276%0.76277%0.77SS**  cis-164.5175.9-36.9-127.51737.100108
1288S29Very low30.4Very low97 Ų97135.4 Ų135.468%0.67876%0.761SS**  trans40.192.615759.20000119
1289N27.8Very low30.7Very low171 Ų171134 Ų13491%0.91476%0.757SS**  trans-94103.5147.5-88.4-9.1000108.1
1290H31.6Very low31.1Very low190 Ų190133.4 Ų133.488%0.8875%0.75SS**  trans-148.2125176.3-109.7-68000110.9
1291G27.9Very low31.5Very low65 Ų65135.7 Ų135.767%0.6775%0.749SS**  trans92.1138.7160.300000117
1292I34.5Very low32.1Very low170 Ų170135.5 Ų135.587%0.87275%0.753SS**  trans69.2134.8158.3-47.9172000116.2
1293E28.7Very low32.3Very low167 Ų167134.1 Ų134.178%0.7876%0.755SS**  cis-169.7124.1-29.8177.1168.6-177.500107.5
1294S34.8Very low32.4Very low113 Ų113136.7 Ų136.779%0.7976%0.76SS**  trans-176.992.7156.2-85.50000112.4
1295T33.1Very low32.7Very low128 Ų128133.7 Ų133.779%0.78576%0.758SS**  trans41.3119.5132.2-12.10000122.1
1296A33.3Very low33.2Very low90 Ų90133.3 Ų133.374%0.74476%0.757SS**  trans73.1145.6139.600000120.8
1297V34.3Very low33.4Very low126 Ų126134.5 Ų134.576%0.76476%0.761SS**  cis-150.3155.6-16.71190000109.7
1298T32.2Very low33.8Very low103 Ų103132.1 Ų132.163%0.63276%0.76SS**  trans-22.3160.8169.779.40000118.6
1299N35Very low34.3Very low124 Ų124133 Ų13366%0.66376%0.764SS**  cis-170.7156.240.8-133.5-23.7000116
1300N35.5Very low34.4Very low101 Ų101129.5 Ų129.554%0.5476%0.758SS.*  trans55.1120.4144-75.8-34.8000124.3
1301K36.8Very low34.5Very low178 Ų178127 Ų12777%0.77476%0.757SS**  62.7153.6113.4-64.5176.6-175.6168.20120
1302T39.9Very low34.8Very low140 Ų140129.9 Ų129.986%0.85976%0.761SS**  cis-157.8159.71.80.20000110.4
1303G37.7Very low34.8Very low78 Ų78127.8 Ų127.880%0.80476%0.756SS**  trans150104.4162.300000114.3
1304R32.1Very low34.8Very low243 Ų243125.5 Ų125.592%0.91775%0.753SS**  trans-153.1124.8-176.6-168.2-173-167.2-158.46.6112.3
1305S37.4Very low34.6Very low105 Ų105129.2 Ų129.273%0.73475%0.75SS**  trans-155.7112.9165.3-148.90000107.2
1306N37.4Very low34.5Very low123 Ų123134.7 Ų134.766%0.65876%0.756SS**  68.9137.485.5-57.2-30.5000112.7
1307I33.5Very low34.4Very low150 Ų150135.5 Ų135.577%0.76974%0.744SS**  cis-166.4167.8-14.4-117.1156.8000106
1308P36.5Very low34.2Very low112 Ų112137 Ų13773%0.72775%0.745SS**  trans-101-124.1-14028-13.3000119.5
1309P40.7Very low34Very low117 Ų117139.1 Ų139.176%0.7675%0.751SS**  -115.6178.8-97.334.6-22.3000117.3
1310A30.4Very low33.7Very low96 Ų96141.8 Ų141.879%0.79376%0.757SS**  trans76.9146.6-176.800000113.5
1311T32.3Very low33.4Very low139 Ų139144 Ų14485%0.85377%0.769SS**  cis-148.7172.541.2-59.40000112.6
1312V35.5Very low32.9Very low125 Ų125137.9 Ų137.976%0.75876%0.756SS**  trans-82.1174.3177-175.10000111.1
1313V33.8Very low32.3Very low126 Ų126136.3 Ų136.376%0.76474%0.742SS**  trans82.5137.7169.1-159.70000111.7
1314T29Very low31.9Very low118 Ų118133.9 Ų133.972%0.72471%0.713SS**  cis-149.8157.218.2-17.20000114.1
1315R30.1Very low31.7Very low191 Ų191124 Ų12472%0.72168%0.684SS**  trans-12.8135.6137.8179.9-155.9-159.5-1646.8118.6Q1317R1315-Q1317 VanDerWaalsContact NE-OE1 3.13Å
1316R32.1Very low31.2Very low244 Ų244123.8 Ų123.892%0.92167%0.674SS**  trans-160.1137.8135.9-104.3165.7-177.3173.9-0.2108.1
1317Q30.6Very low30.7Very low106 Ų106120.4 Ų120.450%0.49566%0.66SS.*  cis93.5106.414.2-140.6-159.9-4000115.8R1315R1315-Q1317 VanDerWaalsContact NE-OE1 3.13Å
1318M29.4Very low30.5Very low157 Ų157116.7 Ų116.777%0.77364%0.642SS**  trans69.3138.4165.8-39.1-163.3-63.800116.4
1319I28.7Very low30.1Very low148 Ų148116.8 Ų116.876%0.75964%0.636SS**  -172.3134.386.3-95.6162.6000111.5
1320F27.8Very low29.6Very low180 Ų180115.9 Ų115.979%0.78963%0.632SS**  trans53.9150.4150.1-77.1-109000124.3
1321N29.1Very low29.5Very low149 Ų149115.4 Ų115.480%0.79762%0.624SS**  trans60.6143.4166.3-60.22.8000117.2
1322G27.9Very low29.6Very low48 Ų48119.4 Ų119.450%0.49562%0.623SS.*  cis112.5146.46.800000111.2S1324G1322-S1324 PolarHBondContact O-N 3.25Å
1323N27.4Very low29.3Very low107 Ų107120.7 Ų120.757%0.57262%0.624SS**  trans2690.4160.5-53.853.7000115T217T217-N1323 WeakPolarHBondContact OG1-CA 3.31Å; T217-N1323 WeakPolarHBondContact OG1-CB 3.45Å; T217-N1323 PolarHBondContact OG1-ND2 3.27Å; T217-N1323 PolarHBondContact OG1-OD1 3.4Å
1324S28.5Very low29.4Very low27 Ų27120.1 Ų120.119%0.18962%0.623CS.*  149.3158.269.7-78.20000109.6Q215 F216 G1322Q215-S1324 VanDerWaalsContact CD-C 3.41Å; Q215-S1324 PolarHBondContact NE2-O 3.25Å; Q215-S1324 VanDerWaalsContact O-CB 3.22Å; Q215-S1324 WeakPolarHBondContact O-CB 3.19Å; Q215-S1324 PolarHBondContact O-OG 3.43Å; Q215-S1324 VanDerWaalsContact OE1-C 3.25Å; Q215-S1324 PolarHBondContact OE1-O 3.46Å; F216-S1324 WeakPolarHBondContact CB-OG 3.39Å; F216-S1324 PolarHBondContact N-OG 2.77Å; F216-S1324 PolarHBondContact O-OG 3.47Å; F216-S1324 VanDerWaalsContact O-OG 3.12Å; G1322-S1324 PolarHBondContact O-N 3.25Å
1325A27.7Very low29.4Very low37 Ų37119.5 Ų119.531%0.30662%0.624SS.*BIsolated β-bridgetrans-155.4-179-179.400000117.8Q214 Q215 F216Q214-A1325 CarbonylContact C-O 3.59Å; Q214-A1325 PolarHBondContact N-O 3.42Å; Q215-A1325 PolarHBondContact N-O 2.77Å; F216-A1325 HydrophobicContact CD2-CB 4.39Å; F216-A1325 HydrophobicContact CE2-CB 3.66Å; F216-A1325 HydrophobicContact CZ-CB 4.32Å
1326N26.1Very low29.3Very low99 Ų99116.7 Ų116.753%0.52963%0.627SS.*  trans168.3-162.3165.1168.3117000108.4Q214Q214-N1326 HydrophobicContact CG-CB 4.21Å; Q214-N1326 WeakPolarHBondContact CG-ND2 3.49Å
1327S28Very low29.4Very low52 Ų52110.5 Ų110.536%0.36462%0.622SS.*  cis-164.8166.7-20.562.40000111A212 S213A212-S1327 WeakPolarHBondContact O-CB 3.28Å; A212-S1327 PolarHBondContact O-OG 3.18Å; S213-S1327 WeakPolarHBondContact CB-OG 3.4Å; S213-S1327 VanDerWaalsContact OG-CB 3.23Å; S213-S1327 WeakPolarHBondContact OG-CB 3.27Å; S213-S1327 PolarHBondContact OG-OG 2.83Å
1328N28.2Very low29.7Very low73 Ų73110.7 Ų110.739%0.3964%0.635SS.*  trans54.4119.5157.6-62.71.3000120.8D211 A212D211-N1328 PolarHBondContact O-ND2 3.5Å; D211-N1328 PolarHBondContact O-OD1 3.1Å; A212-N1328 WeakPolarHBondContact CB-OD1 3.46Å; A212-N1328 VanDerWaalsContact O-CG 3.24Å; A212-N1328 PolarHBondContact O-ND2 3.29Å; A212-N1328 PolarHBondContact O-OD1 3.07Å
1329N28.9Very low30.1Very low113 Ų113108.8 Ų108.860%0.60463%0.634SS**  65.5145.9123.9-56.3-10.1000119.2D211D211-N1329 PolarHBondContact OD2-ND2 3.12Å
1330S29.9Very low30.1Very low98 Ų98108.4 Ų108.469%0.68563%0.632SS**  cis-159.2137.227.8-156.20000116.2
1331S28.9Very low30.5Very low87 Ų87108 Ų10861%0.60863%0.632SS**  trans72.7159.4138.578.80000122.3
1332R33.4Very low30.5Very low222 Ų222106.1 Ų106.184%0.83863%0.626SS**  trans75.2110.8166.1-58.3177.9-164.9-140.3-0.3115.2
1333I30.8Very low30.7Very low152 Ų152108.9 Ų108.978%0.77963%0.634SS**  cis63.8130.520.1-40.2168.9000112.4
1334P36Very low30.9Very low115 Ų115109.5 Ų109.575%0.74764%0.642SS**  cis-106.3-136.6-2.730.3-8.1000109.9
1335S27.8Very low31.2Very low105 Ų105115.1 Ų115.173%0.73467%0.669SS**  cis-159.2151.43.416.40000115.3
1336V28.5Very low31.3Very low131 Ų131117.4 Ų117.479%0.79468%0.683SS**  trans-40.8143.9160.5173.50000116.3
1337S33.5Very low31.5Very low115 Ų115117.5 Ų117.580%0.80469%0.691SS**  trans-172.3134.9131.8-84.10000114.4
1338S36.6Very low31.9Very low110 Ų110121.8 Ų121.877%0.76971%0.709SS**  trans-131.8140162.9-52.60000109
1339P38.5Very low32Very low116 Ų116127.1 Ų127.175%0.75373%0.728SS**  trans-129.9143.114233.4-21.3000110.1
1340I29.4Very low32.2Very low141 Ų141126.4 Ų126.472%0.72373%0.732SS**  cis69.398.137.4-50.4173.5000113.4
1341Q35.3Very low32.3Very low170 Ų170126.1 Ų126.179%0.79473%0.73SS**  trans-176.8114.6132.6-99.8160.686.400108.1
1342T28.4Very low32.4Very low110 Ų110128.3 Ų128.368%0.67574%0.735SS**  66.5148.894.6640000113.8
1343T33.5Very low32.2Very low106 Ų106123.6 Ų123.665%0.6573%0.731SS**  cis-163.4143.228.1-12.10000111.3
1344T31.1Very low32.2Very low121 Ų121121.5 Ų121.574%0.74273%0.725SS**  trans63.4159.8145.359.50000120.5
1345L33.8Very low31.8Very low144 Ų144122.4 Ų122.475%0.75473%0.729SS**  cis-152.3161.3-2.2-149.967.1000112.6
1346S31.4Very low32.1Very low85 Ų85122.5 Ų122.559%0.59473%0.73SS**  trans39116.5144.959.70000121.4
1347S30.2Very low32.1Very low101 Ų101121.2 Ų121.271%0.70673%0.727SS**  79.9150.184.192.60000114.5
1348I35.3Very low31.8Very low143 Ų143120.4 Ų120.473%0.73372%0.721SS**  cis-157144.641.4-124.7153.4000108.4
1349K30.8Very low31.5Very low185 Ų185123.1 Ų123.180%0.80473%0.726SS**  43.1142.1106.5-81.7176.4178.4177.60115.9
1350S34.2Very low31.1Very low97 Ų97122.8 Ų122.868%0.67873%0.726SS**  cis-155.1145.713.4-86.20000108.1
1351S31.4Very low31Very low93 Ų93119.8 Ų119.865%0.6572%0.718SS**  81.9150.561.61000000115.8
1352N30.6Very low30.8Very low133 Ų133118.7 Ų118.771%0.71172%0.717SS**  trans84111.8173.5-55.612.8000114.4
1353T29.5Very low30.8Very low122 Ų122116.4 Ų116.475%0.74870%0.701SS**  73.814865.471.50000112.8
1354T29.3Very low30.8Very low108 Ų108119 Ų11966%0.66371%0.705SS**  cis-164.4150.420-20.20000110.8
1355T29Very low30.7Very low134 Ų134117 Ų11782%0.82270%0.695SS**  trans58.8166.3157.739.90000117.6
1356S32.9Very low30.4Very low108 Ų108119.6 Ų119.676%0.75570%0.697SS**  cis-147.7165.96.22.60000112.5
1357S29Very low30.7Very low104 Ų104120.5 Ų120.573%0.72770%0.7SS**  trans-40.1151173.153.20000120.6
1358S28.4Very low30.7Very low97 Ų97123.5 Ų123.568%0.67870%0.703SS**  101135.4128.774.20000122.2
1359L29.7Very low30.7Very low167 Ų167123.9 Ų123.987%0.87470%0.702SS**  trans77.3149.2146-71.9159.8000121.8
1360S29.2Very low30.9Very low110 Ų110122.7 Ų122.777%0.76970%0.699SS**  trans66.8112.4165.4-156.70000120.5
1361S27.9Very low31.2Very low77 Ų77126.2 Ų126.254%0.53871%0.709SS.*  trans-26.5132.8149.2-51.60000116.2F56F56-S1361 VanDerWaalsContact CZ-CB 3.4Å
1362N31.9Very low31.3Very low147 Ų147126.8 Ų126.879%0.78671%0.71SS**  trans-151.8158.9139.7-111.3-41.5000113.2F56F56-N1362 VanDerWaalsContact CZ-C 3.44Å; F56-N1362 WeakPolarHBondContact CZ-O 3.08Å
1363N28.7Very low31.5Very low63 Ų63127.1 Ų127.134%0.33771%0.712SS.*  trans-81.4-170.5-173.8-83.6-40.4000112.3S54 S55 F56S54-N1363 PolarHBondContact O-OD1 2.69Å; S55-N1363 PolarHBondContact N-OD1 2.99Å; F56-N1363 WeakPolarHBondContact CD2-OD1 3.4Å; F56-N1363 HydrophobicContact CE2-CB 4.27Å; F56-N1363 WeakPolarHBondContact CE2-OD1 3.22Å
1364H32.6Very low31.5Very low160 Ų160129.9 Ų129.974%0.74172%0.717SS**  trans83.8113.6170.5-42.6-67000113.3
1365C28.9Very low31.6Very low78 Ų78136 Ų13653%0.52773%0.728SS.*  cis100.1134.145.7-174.80000111.4
1366Y26.7Very low31.6Very low200 Ų200134.1 Ų134.178%0.78472%0.72SS**  trans-62.3139.3-179.7-100.8-98000112.8
1367P38.6Very low31.5Very low104 Ų104136.7 Ų136.768%0.67572%0.723SS**  trans-92.289.7157.128-17.2000109.9
1368Q30.3Very low31.6Very low164 Ų164137.6 Ų137.677%0.76673%0.727SS**  trans-98.280.7174-1691711.900110.8H1370Q1368-H1370 PolarHBondContact O-N 2.92Å; Q1368-H1370 PolarHBondContact O-ND1 3.44Å
1369H36Very low31.5Very low151 Ų151138.3 Ų138.370%0.69973%0.732SS**  trans-75.3103.8172.3-65.5-88000109.1
1370H33.4Very low31.5Very low160 Ų160142.6 Ų142.674%0.74174%0.736SS**  92106.581.9-70.7-3000112.7Q1368Q1368-H1370 PolarHBondContact O-N 2.92Å; Q1368-H1370 PolarHBondContact O-ND1 3.44Å
1371L41.2Very low31.5Very low170 Ų170144.5 Ų144.589%0.8974%0.737SS**  trans-66.7168.4157.8-65.6163.6000109.9
1372P33.5Very low31.7Very low105 Ų105146.8 Ų146.868%0.68275%0.75SS**  -149.8169.5111.239.2-24.3000116.8
1373N35.5Very low31.5Very low140 Ų140144.4 Ų144.475%0.74975%0.745SS**  trans71.2125.7161.7-53.3-32.2000117.4
1374Q29.1Very low31.4Very low181 Ų181145.7 Ų145.785%0.84676%0.764SS**  cis79.3108.833.1-62.4-159.26.900117
1375R31.9Very low31.2Very low237 Ų237142.7 Ų142.789%0.89476%0.761SS**  trans-175.4117.3132.5-94.6178-173.1-140.40.4105.9
1376S28.1Very low31.2Very low94 Ų94148 Ų14866%0.65778%0.776SS**  cis87.194.949.977.20000114.6
1377I31.9Very low31.5Very low161 Ų161143.6 Ų143.683%0.82677%0.774SS**  46.7117.7129.8-62.4172.6000116.2
1378P29.7Very low30.9Very low124 Ų124146 Ų14681%0.80578%0.781SS**  -143.2156.782.939.5-24.7000117.6
1379S26.7Very low31.1Very low111 Ų111143.5 Ų143.578%0.77678%0.779SS**  trans-77.3133.316751.20000112.4
1380R30.2Very low30.8Very low258 Ų258147.4 Ų147.497%0.97479%0.787SS**  trans-153.6149.1158-114.2177.3-173.6-140.80.2113.2
1381L29.1Very low30.7Very low150 Ų150144.1 Ų144.179%0.78578%0.783SS**  trans-72.3158.3174.6-71153000110.5
1382P32.3Very low30.3Very low125 Ų125144 Ų14481%0.81278%0.783SS**  -129.3161.157.938.4-24.1000114.5
1383S26.4Very low30.3Very low96 Ų96142.1 Ų142.167%0.67178%0.783SS**  cis84.5104.414.5-155.20000118.2
1384A27.6Very low30.3Very low91 Ų91142.3 Ų142.375%0.75278%0.784SS**  trans55.1120.7149.900000122.3
1385S29.1Very low30.6Very low96 Ų96139.4 Ų139.467%0.67177%0.774SS**  -162.2123.4128.6-85.60000109.7
1386K28.8Very low30.7Very low191 Ų191135.1 Ų135.183%0.8377%0.769SS**  72137.490.3-65.5167.5-169.5169.10113.1
1387S32.6Very low30.9Very low107 Ų107134 Ų13475%0.74876%0.762SS**  cis-168.6155.6-2.839.20000112.1
1388N25.4Very low30.8Very low154 Ų154131 Ų13182%0.82474%0.744SS**  trans-64.8156.3163.9-81.7-17.4000111.8
1389P35.3Very low30.8Very low111 Ų111127.3 Ų127.372%0.72172%0.723SS**  -123.9157.396.541.5-36.5000110.8
1390R29.2Very low31Very low233 Ų233128.9 Ų128.988%0.87972%0.723SS**  54.4131.159.1-74.3-173.2173.1-169.9-2.7112.3
1391S31.8Very low30.8Very low92 Ų92122 Ų12264%0.64372%0.715SS**  cis-168.5159.14.844.20000111.7
1392N32.2Very low30.7Very low166 Ų166118.7 Ų118.789%0.88870%0.7SS**  trans71.3145.8170.6-47.5-10.1000115.2
1393G34.4Very low30.5Very low67 Ų67118.7 Ų118.769%0.69170%0.702SS**  cis-177.4178.2-5.200000112.9
1394D35.7Very low30.4Very low143 Ų143121.8 Ų121.877%0.76571%0.71SS**  trans71.890.4161.2-63.3-49.6000122.7
1395N33.7Very low30.4Very low121 Ų121122 Ų12265%0.64771%0.707SS**  80.9141.4121.3-53.2-42.1000123.4
1396N34.2Very low30.3Very low146 Ų146122.5 Ų122.578%0.78171%0.705SS**  trans72.293.4159.2-54.9-26000117
1397S31.7Very low30.1Very low72 Ų72120.6 Ų120.650%0.50370%0.699SS.*  92121.969.769.60000115.3T1408S1397-T1408 WeakPolarHBondContact CA-OG1 3.22Å; S1397-T1408 PolarHBondContact N-OG1 3.45Å
1398E29.9Very low29.8Very low98 Ų98119.2 Ų119.246%0.45869%0.686SS.*  trans88.369.2164-50.1-146.6125.600116.1T1408 L1410E1398-T1408 PolarHBondContact N-OG1 2.94Å; E1398-L1410 HydrophobicContact CB-CD1 3.92Å; E1398-L1410 HydrophobicContact CB-CD2 3.97Å; E1398-L1410 HydrophobicContact CB-CG 3.72Å; E1398-L1410 HydrophobicContact CG-CD2 4.15Å; E1398-L1410 HydrophobicContact CG-CG 3.92Å; E1398-L1410 WeakPolarHBondContact OE1-CD2 3.23Å; E1398-L1410 WeakPolarHBondContact OE1-CG 3.11Å; E1398-L1410 WeakPolarHBondContact OE2-CD2 3.35Å
1399A30.7Very low30Very low45 Ų45114.2 Ų114.237%0.37267%0.672SS.*  trans-83.9151.3-173.100000116.3E1407A1399-E1407 VanDerWaalsContact CB-O 3.31Å; A1399-E1407 WeakPolarHBondContact CB-O 3.44Å
1400N30.2Very low29.6Very low145 Ų145114.2 Ų114.278%0.77567%0.665SS**  trans-143.2157.4170.9-156.9-10.2000110.4
1401S27.4Very low29.5Very low113 Ų113109.5 Ų109.579%0.7966%0.656SS**  trans4772.9174.9620000117.1
1402V26.8Very low29.3Very low80 Ų80113.6 Ų113.649%0.48566%0.664SS.*  trans-130.2101.2173.8-166.30000114.1L1404 S1405V1402-L1404 WeakPolarHBondContact CG1-O 3.49Å; V1402-S1405 WeakPolarHBondContact CG1-O 3.35Å
1403C27.2Very low29.3Very low125 Ų125110.9 Ų110.985%0.84566%0.656SS**SBendtrans-74.5128135.4-69.40000107.1
1404L25.1Very low29Very low161 Ų161118.2 Ų118.284%0.84366%0.663SS**SBendtrans72.490.1178.8-53.3159.2000116.6V1402V1402-L1404 WeakPolarHBondContact CG1-O 3.49Å
1405S26.8Very low28.6Very low97 Ų97117 Ų11768%0.67866%0.661SS**  trans103.8172.6159-40.30000119.4V1402V1402-S1405 WeakPolarHBondContact CG1-O 3.35Å
1406T26.8Very low28.3Very low105 Ų105116.4 Ų116.464%0.64466%0.662SS**  trans6298.1152.2-35.10000121.8
1407E25.9Very low28.1Very low151 Ų151116.5 Ų116.571%0.70666%0.662SS**  trans38.8147.9131.6-51.1-164.9122.900125.4A1399A1399-E1407 VanDerWaalsContact CB-O 3.31Å; A1399-E1407 WeakPolarHBondContact CB-O 3.44Å
1408T26.4Very low28Very low78 Ų78117.2 Ų117.248%0.47967%0.667SS.*  trans67.8146.6160.2650000119.8S1397 E1398S1397-T1408 WeakPolarHBondContact CA-OG1 3.22Å; S1397-T1408 PolarHBondContact N-OG1 3.45Å; E1398-T1408 PolarHBondContact N-OG1 2.94Å
1409G29.6Very low28.1Very low50 Ų50120.3 Ų120.352%0.51568%0.681SS.*  trans-123.1179.1-17400000115
1410L25.1Very low27.9Very low110 Ų110125.4 Ų125.458%0.57670%0.703SS**  trans-127.9121.7174.2-69.5117.9000106.6E1398E1398-L1410 HydrophobicContact CB-CD1 3.92Å; E1398-L1410 HydrophobicContact CB-CD2 3.97Å; E1398-L1410 HydrophobicContact CB-CG 3.72Å; E1398-L1410 HydrophobicContact CG-CD2 4.15Å; E1398-L1410 HydrophobicContact CG-CG 3.92Å; E1398-L1410 WeakPolarHBondContact OE1-CD2 3.23Å; E1398-L1410 WeakPolarHBondContact OE1-CG 3.11Å; E1398-L1410 WeakPolarHBondContact OE2-CD2 3.35Å
1411I27.4Very low28Very low134 Ų134127.5 Ų127.569%0.68771%0.708SS**  cis69.2114.836.3-55.2-173.5000113.3P1413I1411-P1413 WeakPolarHBondContact O-CD 3.04Å
1412H29Very low28.1Very low178 Ų178129.9 Ų129.982%0.82471%0.71SS**  trans-64.5121.7165.5-91.7-81.6000109.6
1413P31.5Very low28Very low110 Ų110132.8 Ų132.871%0.71472%0.723SS**  trans-71131.1158.129.8-31.6000109.2I1411I1411-P1413 WeakPolarHBondContact O-CD 3.04Å
1414R26.9Very low28Very low220 Ų220131.4 Ų131.483%0.8371%0.714SS**  trans75.696.2167.2-66.1177.8-177.5175.11.2115.3
1415T27.5Very low28.1Very low117 Ų117133 Ų13372%0.71872%0.718SS**  73.9133.180.661.90000112.3
1416T28.4Very low28.1Very low110 Ų110132 Ų13268%0.67572%0.716SS**  cis-161.9156.913-1.40000110
1417N28.8Very low28.2Very low148 Ų148132.5 Ų132.579%0.79172%0.718SS**  trans66.6146.7160.9-56.1-4.6000116.9
1418S29.8Very low28.6Very low86 Ų86131.6 Ų131.660%0.60172%0.722SS**  cis-158.5171-21.352.70000109.9
1419E32.4Very low28.7Very low163 Ų163138.1 Ų138.176%0.76274%0.738SS**  trans5596.8153.3-68.6147.8130.200119.3
1420N26.2Very low28.4Very low153 Ų153142 Ų14282%0.81876%0.757SS**  18.1113115.1-60.7-26.3000116.8
1421Q32.2Very low28.5Very low189 Ų189140 Ų14088%0.88376%0.764SS**  -169.9145.491.6-98.1-177.336.900112.5
1422I29.6Very low28.8Very low163 Ų163145.1 Ų145.184%0.83677%0.774SS**  trans-94.3114.5168.6-60.7165.4000107.7
1423N25Very low28.7Very low140 Ų140146.1 Ų146.175%0.74978%0.777SS**  trans-164.3127137.8-124.5-37.3000116.4
1424S27.4Very low28.8Very low96 Ų96149.5 Ų149.567%0.67178%0.78SS**  trans59.8162.2136.9-730000122.2
1425Q27.4Very low28.8Very low195 Ų195145.7 Ų145.791%0.91178%0.776SS**  trans70.5141.5172.6-56.9-166.32600116
1426A27Very low28.9Very low77 Ų77144.3 Ų144.364%0.63678%0.777SS**  cis-161.5166.3-14.300000111.1
1427V27.9Very low29.1Very low115 Ų115148.6 Ų148.670%0.69779%0.786SS**  trans34116.6141.5178.50000116.9
1428V35.2Very low29.1Very low131 Ų131145.6 Ų145.679%0.79478%0.777SS**  -145.3114.274.7163.10000109.6
1429R27.8Very low29Very low215 Ų215148.9 Ų148.981%0.81179%0.788SS**  58.6102.483.1-88.1-172.6171.7-177.8-1.2116.7
1430S24.9Very low29Very low131 Ų131148 Ų14892%0.91679%0.788SS**  trans55.6137.1130.7-164.60000121.8
1431G26Very low29.2Very low69 Ų69152.3 Ų152.371%0.71179%0.793SS**  trans157.9115.5149.500000117.1
1432R34.6Very low29.3Very low242 Ų242155 Ų15591%0.91380%0.795SS**  trans-78.4124.1163.6-70170.4169.8164.7-5.3110.8
1433F26.4Very low29.3Very low198 Ų198152.3 Ų152.387%0.86879%0.791SS**  trans-151137.8149.5-75.3-71.6000106.9
1434K32.3Very low29.9Very low182 Ų182153.6 Ų153.679%0.79180%0.798SS**  cis77.4122.326.4-138.2-171.6-174.8-168.80114.4
1435N27.1Very low30.2Very low139 Ų139152.8 Ų152.874%0.74380%0.804SS**  trans75115.1172.5-66.210.7000120.2
1436A29.6Very low30.5Very low89 Ų89147.3 Ų147.374%0.73680%0.8SS**  trans29.3123.1132.900000123.1
1437F33Very low30.8Very low199 Ų199149.7 Ų149.787%0.87381%0.812SS**  trans-141.2131.1134.6-67.8-80.8000106.6
1438S28.4Very low31.1Very low86 Ų86148 Ų14860%0.60182%0.818SS**  cis80119.231.6910000115.3
1439N29.2Very low30.9Very low154 Ų154145.5 Ų145.582%0.82482%0.818SS**  trans57.7116.2154.4-59.1-32.2000119.7
1440L31.7Very low31.2Very low146 Ų146138.8 Ų138.876%0.76482%0.816SS**  trans-128.376.8152.8-149.580.2000110.5
1441R30.2Very low31.6Very low243 Ų243137.9 Ų137.992%0.91781%0.81SS**PPolyproline II helixtrans-60.8139.4165-113-175.2179.5-161.20.9108.3
1442R33.5Very low31.8Very low244 Ų244142.6 Ų142.692%0.92181%0.813SS**PPolyproline II helixtrans-81.6145.4162.9-76.3-167.6177.3-144.42.1109.8
1443S31.3Very low31.8Very low108 Ų108137.3 Ų137.376%0.75581%0.807SS**PPolyproline II helixtrans-75.5152.2-178.350.60000113.4
1444N36.2Very low31.9Very low167 Ų167131.8 Ų131.889%0.89379%0.793SS**  trans-165.5139.4135.5-109.57.9000111.7
1445G33.8Very low31.7Very low78 Ų78132.7 Ų132.780%0.80480%0.797SS**  trans88.171.5142.900000121.2
1446G34.2Very low31.8Very low80 Ų80131.4 Ų131.483%0.82580%0.799SS**  trans67178.4146.800000119
1447S33.4Very low31.9Very low127 Ų127134.9 Ų134.989%0.88881%0.806SS**  cis-160.5143.5-22.9-162.80000110.5
1448G33.3Very low31.7Very low80 Ų80131.3 Ų131.383%0.82580%0.8SS**  trans73.5153.1174.100000116.1
1449G32.5Very low31.6Very low78 Ų78138 Ų13880%0.80481%0.812SS**  cis171.3130.7-9.200000113
1450G33Very low31.7Very low75 Ų75136 Ų13677%0.77381%0.805SS**  trans71.1159.8177.800000115.2
1451S33.3Very low31.5Very low112 Ų112136.3 Ų136.378%0.78381%0.807SS**  cis-151.3127.9-18.9-94.20000107.4
1452H30.4Very low31.4Very low168 Ų168131.3 Ų131.378%0.77880%0.798SS**  83158.780.7-127.2-95000113.5
1453V34.9Very low31.1Very low130 Ų130126.1 Ų126.179%0.78879%0.789SS**  trans71.7107.1-174.8-165.40000113.5
1454S28.4Very low31.1Very low82 Ų82126 Ų12657%0.57378%0.784SS**  cis110.1128.58.9-56.40000114.5
1455K28.7Very low31Very low202 Ų202123.6 Ų123.688%0.87878%0.777SS**  trans70.7159.1164.9-53.1163.5-177.8177.40113.9
1456S29.9Very low30.7Very low111 Ų111124.1 Ų124.178%0.77677%0.768SS**  cis-139157.211.9-56.60000112.8
1457N30.5Very low30.5Very low163 Ų163127.1 Ų127.187%0.87277%0.765SS**  trans-74.1146.4165.1-67.8-34.1000111.9
1458T29.2Very low30.2Very low124 Ų124126.1 Ų126.176%0.76176%0.758SS**  trans-150.2127.4147.412.20000106.7
1459R26.1Very low29.9Very low226 Ų226126.8 Ų126.885%0.85375%0.75SS**  49.6124.194.5-63.2-175.6172-180-3.7111.5
1460T31.9Very low29.6Very low111 Ų111129.9 Ų129.968%0.68175%0.747SS**  cis-156.1128.644.8-62.90000107.1L1462T1460-L1462 HydrophobicContact CG2-CD1 3.83Å
1461L26.3Very low29.2Very low153 Ų153133.1 Ų133.180%0.80175%0.746SS**  59.7156.881.9-77.6171.3000115.3
1462L28.9Very low28.9Very low139 Ų139134.2 Ų134.273%0.72874%0.743SS**  trans70.4139.4-172.3-57.294.8000114.6T1460T1460-L1462 HydrophobicContact CG2-CD1 3.83Å
1463N28.1Very low28.6Very low135 Ų135132.6 Ų132.672%0.72274%0.74SS**  cis-149.6162.3-10.1-119.55000114
1464T29.8Very low28.3Very low106 Ų106130.5 Ų130.565%0.6573%0.731SS**  trans-32.5-178.5160.746.50000118.9
1465P34Very low28.3Very low116 Ų116132.6 Ų132.675%0.75374%0.736SS**  cis-125-160.2-11.515.910.5000111.7
1466S28.3Very low28.4Very low88 Ų88129 Ų12962%0.61573%0.726SS**  cis178.3170.6-48.8-74.30000107.7
1467N29.5Very low28.4Very low144 Ų144130.9 Ų130.977%0.7773%0.728SS**  trans72.6137167.6-54.7-11.8000115.3
1468S27.2Very low28.5Very low105 Ų105126.4 Ų126.473%0.73472%0.72SS**  cis71.4146.139.489.50000112.9
1469S27Very low28.5Very low94 Ų94129.5 Ų129.566%0.65772%0.723SS**  cis-147.1154.618.770.70000112.1
1470I25.6Very low28.8Very low144 Ų144125.3 Ų125.374%0.73872%0.716SS**  64122.896.4-55.4176.7000115.8
1471L25.4Very low28.7Very low142 Ų142125.4 Ų125.474%0.74371%0.713SS**  trans34.1118.8154.4-57.2166000120.3
1472N26.1Very low28.8Very low136 Ų136124.1 Ų124.173%0.72771%0.707SS**  176.2132.796.3-87.8-58.7000108.2
1473N25.9Very low28.8Very low133 Ų133124.9 Ų124.971%0.71171%0.71SS**  77.4140.953.7-168.322.6000112.6
1474S28.5Very low28.9Very low86 Ų86122.8 Ų122.860%0.60171%0.706SS**  trans69.2143.5178.9-63.30000116.2
1475N28.1Very low28.8Very low127 Ų127125.8 Ų125.868%0.67971%0.712SS**  cis-165.4170.6-14-116.6-17.1000111
1476N29.9Very low28.7Very low127 Ų127128.4 Ų128.468%0.67972%0.717SS**  trans69156.5158.4-57.1-25.1000117.5
1477N30.1Very low28.7Very low150 Ų150129.6 Ų129.680%0.80272%0.721SS**  cis-165.5167.6-30.1-99.6-28000107.5
1478G32Very low28.9Very low69 Ų69129.9 Ų129.971%0.71172%0.717SS**  trans99.571.6177.400000112.3
1479K30.4Very low29Very low188 Ų188128.8 Ų128.882%0.81771%0.71SS**  cis72.5136.648.5-160.2-167.6-179.3179.60111.8
1480L32.3Very low29.2Very low138 Ų138132 Ų13272%0.72371%0.714SS**  trans81.8143.4175.5-50.3178.1000116.6
1481N29Very low29.3Very low113 Ų113135.2 Ų135.260%0.60472%0.717SS**  cis176.3141.1-43.6-107.316.4000108.5
1482N28.3Very low29.5Very low127 Ų127139.3 Ų139.368%0.67972%0.723SS**  trans62.4170.6146.1-55-11.6000118.9
1483I29.8Very low29.6Very low155 Ų155137.8 Ų137.880%0.79572%0.718SS**  trans66118.6159.3-61143.6000115.2
1484S28.9Very low29.7Very low90 Ų90137.7 Ų137.763%0.62972%0.723SS**  cis-159162.9-8.3-117.10000112.8
1485Q27.7Very low29.7Very low169 Ų169139.2 Ų139.279%0.7973%0.728SS**  trans-19.6127.9138.3-54.3166.41700115.1
1486M31.6Very low29.7Very low172 Ų172139.6 Ų139.685%0.84774%0.736SS**  170.2108.2129.5-91.3172.4176.900105.8
1487T29.1Very low29.6Very low113 Ų113139.6 Ų139.669%0.69374%0.741SS**  69.6159.966.673.10000113.8
1488E33.1Very low29.5Very low150 Ų150138.5 Ų138.570%0.70174%0.739SS**  trans61.5112.4-168.4-747.2-88.500117
1489S29.9Very low29.4Very low82 Ų82140 Ų14057%0.57374%0.744SS**  77.2104.459.2-67.70000110.4
1490Q30.5Very low29.3Very low160 Ų160134.8 Ų134.875%0.74874%0.737SS**  102.9146.371.4-95.3-160.744.600110.1
1491R29.3Very low29.1Very low212 Ų212133.9 Ų133.980%0.874%0.737SS**  trans68.3119.3171.6-64.4174.2174.5-131.7-3.3114.6
1492R28.3Very low29.1Very low229 Ų229132.9 Ų132.986%0.86474%0.739SS**  cis79.9150.144.1-167.9-162.9-89.8-147.7-2.9111.4
1493T28.4Very low29.3Very low103 Ų103135.6 Ų135.663%0.63274%0.74SS**  trans76.1113.4167.327.40000117.1
1494T27.9Very low29.4Very low131 Ų131135.1 Ų135.180%0.80473%0.734SS**  trans67157.6145.157.90000117.2
1495T28.8Very low29.6Very low118 Ų118136.7 Ų136.772%0.72474%0.735SS**  cis-135.8162.315.5150000112.8
1496T28.3Very low29.8Very low136 Ų136136.3 Ų136.383%0.83473%0.733SS**  trans-67.1120.9150.843.50000111.1
1497T28Very low30Very low127 Ų127133.3 Ų133.378%0.77972%0.724SS**  trans-147.2146.8146.6-34.20000110.1
1498T28.3Very low30.3Very low127 Ų127130.9 Ų130.978%0.77972%0.722SS**  trans-80.4178.2166.742.70000111.7
1499A28.7Very low30.4Very low99 Ų99133.4 Ų133.482%0.81873%0.731SS**  trans69.5153.2175.600000116.2
1500A28.3Very low30.6Very low80 Ų80133.8 Ų133.866%0.66174%0.739SS**  cis-169.9156.1-3000000107.7
1501T28.8Very low30.8Very low118 Ų118133.7 Ų133.772%0.72474%0.743SS**  trans56131.3156.438.60000120.7
1502S29.4Very low31.5Very low93 Ų93128.1 Ų128.165%0.6573%0.734SS**  trans80.2141.9140.1-62.80000118.6
1503R31.6Very low31.9Very low183 Ų183122.8 Ų122.869%0.69173%0.728SS**  cis-163.8146.5-6.6-117.8168.4-166.7-1589.2110.3
1504Q32.1Very low32.2Very low145 Ų145127 Ų12768%0.67874%0.737SS**  trans62.6169.4143.4-76172.1-52.500118.3
1505L34.2Very low32.5Very low124 Ų124125.3 Ų125.365%0.64973%0.731SS**  cis-116.8151-24.9-91.9117.5000106.3
1506E32.3Very low32.9Very low160 Ų160127.6 Ų127.675%0.74873%0.733SS**  54.4135.876.2-116.4-171.6127.400113
1507V33.9Very low33.2Very low109 Ų109126.7 Ų126.766%0.66172%0.722SS**  cis-152.1156.531.7179.30000108.4
1508G35.5Very low33.5Very low62 Ų62127.5 Ų127.564%0.63972%0.718SS**  cis147.6-174.2-2.200000112.5
1509K35.2Very low33.8Very low204 Ų204129.1 Ų129.189%0.88771%0.714SS**  trans69151171.8-57.7172.4-179.11740116.4
1510A34.9Very low34.1Very low90 Ų90128.5 Ų128.574%0.74470%0.696SS**  cis-160.2133.2-16.500000108
1511N35.1Very low34.4Very low157 Ų157130.1 Ų130.184%0.8469%0.688SS**  69.8156.682.6-1023.2000116.1
1512P44.6Very low35.2Very low95 Ų95129.5 Ų129.562%0.61769%0.686SS**  cis-148.1-169.4-19.641.3-21000117.1
1513T34.8Very low35.6Very low118 Ų118130.7 Ų130.772%0.72469%0.694SS**  trans71.3149.6154.347.60000120.1
1514K34.7Very low35.9Very low191 Ų191126.8 Ų126.883%0.8370%0.695SS**  cis-160.8-177.89.7-115.2165.7-174.8176.50107.7
1515S35.8Very low36.1Very low95 Ų95127 Ų12766%0.66470%0.701SS**  cis-174141.6-6.741.80000114.2
1516Q37.1Very low36.3Very low166 Ų166125.5 Ų125.578%0.77670%0.701SS**  trans66.4151137.7-66-120.3-3.300123.7
1517L33.7Very low36.6Very low117 Ų117124.6 Ų124.661%0.61370%0.702SS**  cis-174133.2-29.7-140.577.3000116
1518Q34.9Very low36.9Very low145 Ų145126.5 Ų126.568%0.67871%0.706SS**  trans56.8168.5137.2-76.7-174.353.100126
1519K35.2Very low37Very low161 Ų161127.7 Ų127.770%0.771%0.705SS**  cis170.8176-25.1-173.5-178.3175.3-1780114
1520L34.4Very low37.1Very low85 Ų85124.4 Ų124.445%0.44570%0.702SS.*  trans100.5146.2151.7-56.7167.6000119
1521K34.8Very low37.2Very low115 Ų115124.2 Ų124.250%0.571%0.708SS.*  cis-164-166.4-10-122.9-165.8168.4172.90111.6K29 I30K29-K1521 WeakPolarHBondContact O-CD 3.44Å; K29-K1521 WeakPolarHBondContact O-CE 3.17Å; K29-K1521 PolarHBondContact O-NZ 3.03Å; I30-K1521 PolarHBondContact O-NZ 2.88Å
1522P45Very low37.4Very low104 Ų104120.6 Ų120.668%0.67571%0.709SS**  trans-136.6-161.7-147.946.4-24.1000119.2
1523S37Very low37Very low118 Ų118119.5 Ų119.583%0.82572%0.715SS**  trans88.5153.8157.878.50000119.7
1524S38.2Very low37Very low102 Ų102119.8 Ų119.871%0.71372%0.721SS**  cis-148.3-164.95.560.20000110
1525N37.3Very low37.1Very low148 Ų148116.4 Ų116.479%0.79172%0.722SS**  cis-157.4-127.61.7-1337.5000111.6
1526S38.6Very low37.2Very low93 Ų93115.4 Ų115.465%0.6573%0.726SS**  -150.1179.1-108.7680000111.1
1527N37.4Very low37.2Very low142 Ų142115 Ų11576%0.75973%0.73SS**  cis-167.4-177.14.5-158.8-1.4000111.3
1528I40.2Very low37.4Very low149 Ų149115.7 Ų115.776%0.76474%0.738SS**  trans73.3140152.8-76.6161.2000120.3
1529S38.4Very low37.4Very low86 Ų86111.4 Ų111.460%0.60173%0.733SS**  cis-170.3146.1-18.1-168.40000116.4
1530T37.5Very low37.6Very low136 Ų136112.7 Ų112.783%0.83474%0.741SS**  trans54.1132.5143.748.40000127.4
1531G37.6Very low37.5Very low85 Ų85120.6 Ų120.688%0.87678%0.775SS**  111139.7129.200000118.2
1532G37.3Very low37.7Very low82 Ų82120.9 Ų120.985%0.84579%0.789SS**  cis171162.4-8.100000113.7
1533G36.8Very low37.3Very low72 Ų72121.7 Ų121.774%0.74280%0.795SS**  trans91134.3176.300000114.9
1534S35.8Very low37.3Very low124 Ų124121.9 Ų121.987%0.86779%0.793SS**  cis78.8140.838.8-63.90000114.4
1535S35.9Very low37.3Very low120 Ų120123.1 Ų123.184%0.83980%0.798SS**  cis-176.2158.9-10.6490000110.5
1536G39.2Very low37.3Very low73 Ų73121.6 Ų121.675%0.75380%0.798SS**  trans123109.3170.700000112.4
1537N35.7Very low37.2Very low159 Ų159123.5 Ų123.585%0.8581%0.808SS**  cis97.3149.930.4-163.628.2000113.2
1538V39.2Very low37.2Very low131 Ų131122.1 Ų122.179%0.79481%0.812SS**  trans69.4133.3-167.6-165.30000112.7
1539G34.2Very low36.9Very low55 Ų55120.1 Ų120.157%0.56782%0.815SS**  cis144.8140.4-6.200000111.9
1540H39.3Very low36.8Very low187 Ų187122.9 Ų122.987%0.86683%0.833SS**  trans50.492.9171.1-57.6-85.5000117.1
1541H33.2Very low36.7Very low251 Ų251121.7 Ų121.7100%1.16283%0.833SS**  -155090.6-136.7-52.1000113.6

Retrieved 1,541 of 1,541 residues in 272.2 ms (Link to these results)