A0A3Q0KNW7_SCHMA Loading...

Monocarboxylate transporter, putative

AlphaFold DB , UniProt , Accession A0A3Q0KNW7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,791 aa.

>A0A3Q0KNW7_SCHMA|A0A3Q0KNW7
MTDGPGKVINPIIESTDEQSDQLKIEDVDQLQHEGSEDSTGSEDLRLFLKELHEKVKEDHHHHNQQQQIQQSHVIIPSTGHAQPVCVINPGELPIIGGGGSSTAVTSYHSSQYNLKTNQMIQYQTPGQVTTTADQHYHTSVGELNAHDVVSDGGWGWFVVLGSFCCMVLVDGICFTYGLLINPICPYSNLRVLSSSSNGQKFNETGPIKYPRNDRIIHPIVGSCIPISELGEDFQIQQRSILLTPGGLIVGLYLFLGPLVSALSNQFDFRPVAMIGAIITTVALLTSAFVTTIEMFTLTFGLLGGIGLSFIYLPAIATVGHWFQQKRPLAVGLALCGSGMGCLIGGQAIPRLVSLFTWRGTLIILAAVCFQCLTLILLFRPWDVHFQITQAQHAKRLAREAARRAAALRRAEAERVLLEARRRKYLAALEAAATAHTVGVKKHSNTTPAVMTNNINGNKPGFQCQAGEYRSNSNDSGGGGVVGGRRNTAQYIRIHNTNQTRNGRQNKHFIFNPYNRTQQNPGVMNTRSNAVTGNRSVNHQNHGSSRTANRKRTPSRRVIVYRGSIMQRIIEEKRRQRTISVGSLDGMVITRDNELIAASKIINQDKSLCDPTTIQRISDNVTRKIEAKLSNTIAPKLSIVNGVNINNNNNAGVVVPTSGGTSALGSRTGLRVSLPQLVQEYIQSQVSLSLQQQQSKLSSVANLINNNSMNYGNDQSTPADTFVRSPSVISKLSTVIMPNYDTATVQLVSGIGENSVHLDGGGFTGSKNAPMPSDSNQMIPVNTSMMNSPAFLNGTTNPPPPSTTGRDPVPTRTHPIRSVSETVSLKRTTSEASLTSHFTSIGVVDPHNNNGNIAGADLLDDEMKADIQLIIRKEMSRPQYKKDFFYTGPVRQVVDSSMLSSKQLPISHKLSINLPILPATVADNRPNRSSTAAFRLPSTIIHPDIKLQPEHCSQTNLSIANSSNLFTNQFIPPAPCPSIPLNNQQSIVHNVPLTGLPQFSVPLGSNINQYGANNNSDRIDSVGYINNTESVETSATPLSNQLGLSQKIDCDESTITNAGLQRQQLQEGLIDFGVDIDDGDVGAVELGLDDIDIEDEDDNRDTILMNDDDEAVYTRCQKCFDHCIRLCGSALFCCWTYNPIGLFMQDLLSPKLLSNITFLFFLFSSMMAMLGLVVPFLMLPDLLAEMNWKLEDSGFIISSIGAGNTFGRLFATFYIEKAWSTTYRWADSLWMNNISLLLTSVTVFVLPIVRRYYAALVLISCGFGLFSAVFVSLKSILVVELIGIDRLTNAFGYLLLFQGFAAAVGPPVAGYLRDLQIDKTPPFSISTVYNAPAHNASSMAFIFSASALFTSCLLGCPLRWLSKRGFSNKPISSYNPTELVPNHVDHTNYGYEYNTISPTLPTTDHEYYIQQQQLGNMVSEYQSIDVNCMTAVDPISTSRRVDVVDSHYAVNQPTVVPPSTSLTVIDALKSQTTTTDQLSPSVIPQSSVNCLPISSGHHMIFSTEPASTLAASGIVTGLLDNKTLDTTTNATGTTIPMTDESVSLVNVGGLKLPAAVIPASVVTGGGTVPTPVVSLSLPAQSVEVLEVKEDPGLEPVVEEEEEDYEDDEQDVDQYTRVNQLESGTLLLTEPGTNIDSSIPTSESSFNQDTTGDSVPTNGSSSSSLRNINSRKDGIKHKRRRTSKPFELNTPIVEDKFTIDVTNDVNVDEDTVNVQRNPVTTTTTTIITTATSSTATTTSGTGTTNSTTPTSTNEDNNDANLDHTLGSGSGSNNNNHKKDTNREQTNNDNNTN
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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
1M27.1Very low30.5Very low232 Ų232134.4 Ų134.4100%1.14379%0.792SS**  095.50-76.5170.1174.900105.5
2T31.4Very low29.9Very low112 Ų112136 Ų13669%0.68779%0.792SS**  84.798.789.850.50000112.7
3D31.6Very low29.6Very low158 Ų158135.9 Ų135.985%0.84578%0.784SS**  trans65151.7139.1-43.1-52.7000119.4
4G29.4Very low29.2Very low68 Ų68138.4 Ų138.470%0.70179%0.785SS**  cis-177.4167.6-3.500000111.6
5P41.7Very low28.9Very low138 Ų138135.6 Ų135.690%0.89678%0.778SS**  trans-118.9166-158.941.3-32.8000117.4
6G28.6Very low28.7Very low70 Ų70133.6 Ų133.672%0.72277%0.769SS**  trans157.9170.9157.900000116.1
7K27.7Very low28.6Very low193 Ų193134.2 Ų134.284%0.83977%0.769SS**  cis179.8123.2-28.7-128.6-166.3177.4-178.10111.5
8V25.9Very low28.6Very low118 Ų118135.6 Ų135.672%0.71577%0.768SS**  trans63.8157.5157.9-136.90000114
9I26.9Very low28.5Very low148 Ų148136.2 Ų136.276%0.75976%0.763SS**  cis-152.7140.131.1-57.6167.2000113
10N24.8Very low28.5Very low138 Ų138134.3 Ų134.374%0.73876%0.76SS**  trans-8.9173.5147.4-58.36.1000121.5
11P40.1Very low28.4Very low103 Ų103134.4 Ų134.467%0.66976%0.758SS**  cis-142-154-43.138.8-17.6000113.4
12I23.6Very low28.4Very low154 Ų154129 Ų12979%0.7973%0.73SS**  trans69.9139.4169.5-13.2179.6000113.4
13I26Very low28.1Very low135 Ų135132.2 Ų132.269%0.69274%0.742SS**  -160.5163.153.9-89.8-179.7000112.9
14E24.4Very low27.9Very low170 Ų170131.4 Ų131.479%0.79473%0.731SS**  trans-15.4161.6156.9-60158.2144.700119
15S24.6Very low27.9Very low97 Ų97132.8 Ų132.868%0.67872%0.721SS**  cis-170-156.9-10.7520000108.1
16T26.3Very low27.1Very low103 Ų103133.2 Ų133.263%0.63271%0.711SS**  cis-160.5-178.87.2-10.80000109.5
17D26Very low27.1Very low144 Ų144135.7 Ų135.777%0.7771%0.708SS**  trans27.5141.3144.9-48.6-22.2000121.3
18E27.9Very low27Very low160 Ų160133.3 Ų133.375%0.74871%0.709SS**  cis-155.7-166.35-131.4-160.1149.800107.6
19Q27.4Very low26.9Very low147 Ų147133.2 Ų133.269%0.68771%0.705SS**  cis-154.3-175.711.2-158.716489.600109.6
20S28.9Very low26.9Very low98 Ų98134.2 Ų134.269%0.68571%0.706SS**  trans59.669.5156.765.90000118.8
21D26.9Very low26.9Very low137 Ų137136 Ų13673%0.73372%0.715SS**  30.9146.6103.9-80.7-7.4000121.1
22Q26Very low26.1Very low119 Ų119139.2 Ų139.256%0.55672%0.721SS**  cis-172.2132-22.5-137.4-174.9105.900108.9
23L26.2Very low26.2Very low178 Ų178140.4 Ų140.493%0.93272%0.723SS**  trans-165.5135.8138.7-112.2154.6000111.3
24K27.1Very low26.2Very low142 Ų142143.8 Ų143.862%0.61774%0.736SS**  trans-90.9169.4-170.3-67.9162.8174.1140.90109.6
25I28.7Very low26.3Very low96 Ų96139.2 Ų139.249%0.49273%0.734SS.*  -157.2132.950.7-80.1172.3000111.2
26E26Very low26.3Very low147 Ų147139.9 Ų139.969%0.68774%0.739SS**  trans-74.2170.2165.9-40.1108130.300110.6
27D26.6Very low26.4Very low122 Ų122143.2 Ų143.265%0.65275%0.747SS**  cis-168.3150.713.2-150.4-15.4000108.1D29D27-D29 PolarHBondContact OD1-N 3.11Å
28V27.2Very low26.4Very low143 Ų143143.5 Ų143.587%0.86775%0.749SS**  -155.874.3127-172.50000107.1
29D24.2Very low26.5Very low116 Ų116141 Ų14162%0.6275%0.749SS**  trans-79.9118152.6-153.3-15.5000109.6D27D27-D29 PolarHBondContact OD1-N 3.11Å
30Q25.2Very low26.9Very low169 Ų169141 Ų14179%0.7976%0.759SS**  trans-176.493.6160.3-112.7158.482.900112.2
31L25.3Very low26.9Very low175 Ų175140.3 Ų140.392%0.91677%0.767SS**SBend-178.530.9126.9-96.9169000114.6
32Q23.6Very low27.6Very low171 Ų171136.6 Ų136.680%0.79975%0.752SS**  trans-94.6140.7134.5-63.3177.5-14.100105.3
33H25.3Very low28.2Very low180 Ų180137.7 Ų137.783%0.83376%0.757SS**  cis-157.9116.516.3-171.3-81.3000110.4
34E25.5Very low28.8Very low205 Ų205134.5 Ų134.596%0.95874%0.741SS**  trans-160.1124.1166.8-138.6-179.3-129.900111.8
35G26.7Very low29.6Very low74 Ų74132.8 Ų132.876%0.76374%0.738SS**  trans117.571.9172.200000117
36S24.7Very low30.2Very low111 Ų111137.2 Ų137.278%0.77675%0.749SS**  trans-66.9167145.256.80000109.6
37E28.1Very low31.4Very low173 Ų173135.8 Ų135.881%0.80875%0.745SS**  cis-139.1-164.818.7-63.2168.411500111.4
38D27.3Very low32.6Very low151 Ų151135.8 Ų135.881%0.80774%0.74SS**  trans71.287.1162.4-70.9-15.4000120.4
39S29.5Very low33.8Very low106 Ų106134.2 Ų134.274%0.74173%0.726SS**  146.814297.659.30000114.5
40T35.2Very low35.3Very low148 Ų148134.7 Ų134.791%0.90872%0.722SS**  trans55110.5178.151.60000116.2
41G30.6Very low36.7Very low83 Ų83131.2 Ų131.286%0.85671%0.706SS**  trans-112.2158.8175.900000113.7
42S39.8Very low37.8Very low60 Ų60127.1 Ų127.142%0.4269%0.685SS.*  trans-152.9123.4153.1136.10000103D44 L45S42-D44 VanDerWaalsContact CB-OD2 3.3Å; S42-D44 WeakPolarHBondContact CB-OD2 3.19Å; S42-D44 PolarHBondContact OG-OD2 3.21Å; S42-L45 PolarHBondContact OG-N 2.98Å
43E39.9Very low39Very low141 Ų141125.5 Ų125.566%0.65968%0.677SS**SBendtrans-79.2-27.6-179.3-65.1-141102.200111.2L45 R46 L47E43-L45 VanDerWaalsContact C-N 3.32Å; E43-L45 PolarHBondContact O-N 2.65Å; E43-R46 CarbonylContact O-C 3.58Å; E43-R46 VanDerWaalsContact O-CA 3.27Å; E43-R46 WeakPolarHBondContact O-CA 3.38Å; E43-R46 WeakPolarHBondContact O-CB 3.38Å; E43-R46 PolarHBondContact O-N 3.01Å; E43-L47 PolarHBondContact O-N 3.07Å
44D38.4Very low40.4Very low111 Ų111121.8 Ų121.859%0.59466%0.66SS**Hα-helixtrans-49.1-46.2169.8-6.1-62.4000112S42 R46 L47 F48S42-D44 VanDerWaalsContact CB-OD2 3.3Å; S42-D44 WeakPolarHBondContact CB-OD2 3.19Å; S42-D44 PolarHBondContact OG-OD2 3.21Å; D44-R46 PolarHBondContact O-N 2.79Å; D44-L47 PolarHBondContact O-N 3.48Å; D44-F48 WeakPolarHBondContact O-CB 3.39Å; D44-F48 PolarHBondContact O-N 2.89Å
45L43.3Very low41.2Very low106 Ų106117.9 Ų117.956%0.55564%0.64SS**Hα-helixtrans-63.7-26.3175-177.560000112.7S42 E43 L49S42-L45 PolarHBondContact OG-N 2.98Å; E43-L45 VanDerWaalsContact C-N 3.32Å; E43-L45 PolarHBondContact O-N 2.65Å; L45-L49 HydrophobicContact CD1-CD1 4.34Å; L45-L49 HydrophobicContact CG-CD1 4.33Å; L45-L49 VanDerWaalsContact O-CB 3.28Å; L45-L49 WeakPolarHBondContact O-CB 3.31Å; L45-L49 WeakPolarHBondContact O-CD1 3.24Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.45Å; L45-L49 PolarHBondContact O-N 2.68Å
46R42.4Very low42Very low190 Ų190118.7 Ų118.772%0.71763%0.63SS**Hα-helixtrans-85.5-35.3-179.9-145177.8-168.5-179.82.1112E43 D44 K50E43-R46 CarbonylContact O-C 3.58Å; E43-R46 VanDerWaalsContact O-CA 3.27Å; E43-R46 WeakPolarHBondContact O-CA 3.38Å; E43-R46 WeakPolarHBondContact O-CB 3.38Å; E43-R46 PolarHBondContact O-N 3.01Å; D44-R46 PolarHBondContact O-N 2.79Å; R46-K50 WeakPolarHBondContact O-CB 3.27Å; R46-K50 PolarHBondContact O-N 3.03Å
47L51Low42.8Very low116 Ų116120 Ų12061%0.60762%0.621SS**Hα-helixtrans-67.8-50.6170.2-76.4162.1000110.7E43 D44 L49 K50 E51E43-L47 PolarHBondContact O-N 3.07Å; D44-L47 PolarHBondContact O-N 3.48Å; L47-L49 VanDerWaalsContact C-N 3.32Å; L47-L49 PolarHBondContact O-N 2.71Å; L47-K50 WeakPolarHBondContact O-CA 3.48Å; L47-K50 VanDerWaalsContact O-CB 3.31Å; L47-K50 WeakPolarHBondContact O-CB 3.37Å; L47-K50 PolarHBondContact O-N 2.81Å; L47-E51 PolarHBondContact O-N 3.05Å
48F50.5Low43.4Very low122 Ų122117.8 Ų117.854%0.53561%0.611SS.*Hα-helixtrans-55.2-44.4174.7-178-103.4000112.1D44 K50 L52D44-F48 WeakPolarHBondContact O-CB 3.39Å; D44-F48 PolarHBondContact O-N 2.89Å; F48-K50 VanDerWaalsContact C-N 3.25Å; F48-K50 PolarHBondContact O-N 3.31Å; F48-L52 HydrophobicContact CD1-CD1 4.4Å; F48-L52 HydrophobicContact CE1-CD1 3.7Å; F48-L52 HydrophobicContact CZ-CD1 3.77Å; F48-L52 VanDerWaalsContact O-CB 3.22Å; F48-L52 WeakPolarHBondContact O-CB 3.42Å; F48-L52 PolarHBondContact O-N 3.32Å
49L52.7Low43.7Very low110 Ų110117.6 Ų117.658%0.57661%0.61SS**Hα-helixtrans-69.7-17.4174.9-80.5172.2000114.5L45 L47 H53L45-L49 HydrophobicContact CD1-CD1 4.34Å; L45-L49 HydrophobicContact CG-CD1 4.33Å; L45-L49 VanDerWaalsContact O-CB 3.28Å; L45-L49 WeakPolarHBondContact O-CB 3.31Å; L45-L49 WeakPolarHBondContact O-CD1 3.24Å; L45-L49 VanDerWaalsContact O-CG 3.25Å; L45-L49 WeakPolarHBondContact O-CG 3.45Å; L45-L49 PolarHBondContact O-N 2.68Å; L47-L49 VanDerWaalsContact C-N 3.32Å; L47-L49 PolarHBondContact O-N 2.71Å; L49-H53 WeakPolarHBondContact O-CB 3.25Å
50K56.5Low44Very low127 Ų127120.3 Ų120.355%0.55261%0.611SS**Hα-helixtrans-83.9-47.7175.4-162.3-173.2177.9-134.50110.5R46 L47 F48 L52 H53 E54R46-K50 WeakPolarHBondContact O-CB 3.27Å; R46-K50 PolarHBondContact O-N 3.03Å; L47-K50 WeakPolarHBondContact O-CA 3.48Å; L47-K50 VanDerWaalsContact O-CB 3.31Å; L47-K50 WeakPolarHBondContact O-CB 3.37Å; L47-K50 PolarHBondContact O-N 2.81Å; F48-K50 VanDerWaalsContact C-N 3.25Å; F48-K50 PolarHBondContact O-N 3.31Å; K50-L52 PolarHBondContact O-N 3.02Å; K50-H53 CarbonylContact O-C 3.47Å; K50-H53 WeakPolarHBondContact O-CA 3.46Å; K50-H53 VanDerWaalsContact O-CB 3.3Å; K50-H53 WeakPolarHBondContact O-CB 3.12Å; K50-H53 PolarHBondContact O-N 3.27Å; K50-E54 PolarHBondContact O-N 3.24Å
51E54.4Low43.9Very low96 Ų96120.4 Ų120.445%0.44960%0.6SS.*Hα-helixtrans-62.5-42.4176.6-164.8-158.3138.500112L47 H53 E54 K55L47-E51 PolarHBondContact O-N 3.05Å; E51-H53 PolarHBondContact O-N 2.96Å; E51-E54 PolarHBondContact O-N 2.91Å; E51-K55 HydrophobicContact CG-CD 4.45Å; E51-K55 PolarHBondContact O-N 3.23Å; E51-K55 WeakPolarHBondContact OE1-CE 3.14Å; E51-K55 IonicContact OE1-NZ 3.27Å; E51-K55 PolarHBondContact OE1-NZ 3.34Å
52L48.8Very low44.1Very low89 Ų89125 Ų12547%0.46660%0.6SS.*Hα-helixtrans-67.6-12.9173.1-143.6166.6000112.1F48 K50 V56F48-L52 HydrophobicContact CD1-CD1 4.4Å; F48-L52 HydrophobicContact CE1-CD1 3.7Å; F48-L52 HydrophobicContact CZ-CD1 3.77Å; F48-L52 VanDerWaalsContact O-CB 3.22Å; F48-L52 WeakPolarHBondContact O-CB 3.42Å; F48-L52 PolarHBondContact O-N 3.32Å; K50-L52 PolarHBondContact O-N 3.02Å; L52-V56 HydrophobicContact CD2-CG2 4.15Å; L52-V56 WeakPolarHBondContact O-CB 3.28Å; L52-V56 WeakPolarHBondContact O-CG2 3.17Å
53H48.6Very low43.6Very low136 Ų136130.4 Ų130.463%0.6362%0.618SS**Hα-helixtrans-94.3-20.5170.7-155.479000113.2L49 K50 E51 K57L49-H53 WeakPolarHBondContact O-CB 3.25Å; K50-H53 CarbonylContact O-C 3.47Å; K50-H53 WeakPolarHBondContact O-CA 3.46Å; K50-H53 VanDerWaalsContact O-CB 3.3Å; K50-H53 WeakPolarHBondContact O-CB 3.12Å; K50-H53 PolarHBondContact O-N 3.27Å; E51-H53 PolarHBondContact O-N 2.96Å; H53-K57 WeakPolarHBondContact O-CB 3.46Å
54E54.9Low43.1Very low102 Ų102130.6 Ų130.648%0.47762%0.623SS.*Hα-helixtrans-83.9-47.9172.4-82.4169.9139.600111.2K50 E51 V56 K57 E58K50-E54 PolarHBondContact O-N 3.24Å; E51-E54 PolarHBondContact O-N 2.91Å; E54-V56 VanDerWaalsContact C-N 3.28Å; E54-V56 PolarHBondContact O-N 2.99Å; E54-K57 WeakPolarHBondContact O-CA 3.13Å; E54-K57 VanDerWaalsContact O-CB 3.25Å; E54-K57 WeakPolarHBondContact O-CB 3.37Å; E54-K57 PolarHBondContact O-N 3.14Å; E54-E58 PolarHBondContact O-N 2.97Å
55K41.7Very low42.7Very low123 Ų123134.4 Ų134.454%0.53564%0.637SS.*Hα-helixtrans-58.8-36175.5-76.2173.5174.2166.20113.2E51 K57 D59E51-K55 HydrophobicContact CG-CD 4.45Å; E51-K55 PolarHBondContact O-N 3.23Å; E51-K55 WeakPolarHBondContact OE1-CE 3.14Å; E51-K55 IonicContact OE1-NZ 3.27Å; E51-K55 PolarHBondContact OE1-NZ 3.34Å; K55-K57 PolarHBondContact O-N 3.02Å; K55-D59 PolarHBondContact O-N 2.67Å
56V44.4Very low42Very low92 Ų92139 Ų13956%0.55866%0.656SS**Hα-helixtrans-71.8-15.8174169.70000113.2L52 E54L52-V56 HydrophobicContact CD2-CG2 4.15Å; L52-V56 WeakPolarHBondContact O-CB 3.28Å; L52-V56 WeakPolarHBondContact O-CG2 3.17Å; E54-V56 VanDerWaalsContact C-N 3.28Å; E54-V56 PolarHBondContact O-N 2.99Å
57K40.1Very low41.2Very low137 Ų137138.1 Ų138.160%0.59666%0.66SS**Hα-helixtrans-92.9-32.1179.5-163179.4-179.6-169.90112H53 E54 K55 H60H53-K57 WeakPolarHBondContact O-CB 3.46Å; E54-K57 WeakPolarHBondContact O-CA 3.13Å; E54-K57 VanDerWaalsContact O-CB 3.25Å; E54-K57 WeakPolarHBondContact O-CB 3.37Å; E54-K57 PolarHBondContact O-N 3.14Å; K55-K57 PolarHBondContact O-N 3.02Å; K57-H60 PolarHBondContact O-N 2.91Å
58E40.6Very low40Very low127 Ų127140.5 Ų140.559%0.59367%0.668SS**Hα-helixtrans-71.4-44.8176-67.1175.1132.300111.8E54 H60 H61E54-E58 PolarHBondContact O-N 2.97Å; E58-H60 PolarHBondContact O-N 3.46Å; E58-H61 PolarHBondContact O-N 3.03Å
59D35.1Very low39.1Very low147 Ų147140.6 Ų140.679%0.78667%0.673SS**THydrogen-bonded Turntrans-58.8-11.2173.7-99.3-8.6000114.2K55K55-D59 PolarHBondContact O-N 2.67Å
60H36.1Very low37.9Very low163 Ų163142.6 Ų142.676%0.75568%0.679SS**THydrogen-bonded Turntrans-103.1-3.1175.7-107.151.2000115.2K57 E58K57-H60 PolarHBondContact O-N 2.91Å; E58-H60 PolarHBondContact O-N 3.46Å
61H33.1Very low36.5Very low150 Ų150144.9 Ų144.969%0.69469%0.692SS**THydrogen-bonded Turntrans-107.5-19.5-179.8-95.8-70.7000115.4E58 H63E58-H61 PolarHBondContact O-N 3.03Å; H61-H63 VanDerWaalsContact C-N 3.26Å; H61-H63 PolarHBondContact O-N 3.34Å
62H33.4Very low35.1Very low181 Ų181144.7 Ų144.784%0.83870%0.701SS**THydrogen-bonded Turntrans-81.415.2-179.1-101-73.2000116.3
63H30.9Very low34Very low173 Ų173147.9 Ų147.980%0.80171%0.713SS**THydrogen-bonded Turntrans-116.223-178.1-14472.6000115.1H61H61-H63 VanDerWaalsContact C-N 3.26Å; H61-H63 PolarHBondContact O-N 3.34Å
64N28.5Very low32.7Very low145 Ų145147.1 Ų147.178%0.77572%0.718SS**SBendtrans-149.5131.2168.9-97.3-69.3000111.5
65Q30.3Very low31.4Very low190 Ų190149.6 Ų149.689%0.88873%0.733SS**  trans65.1137.3-173.6-50.5178.34.500112.5
66Q27.4Very low30.6Very low204 Ų204150.1 Ų150.195%0.95374%0.74SS**  cis-92.9137.514.2-65.5174.3-13.800114.2
67Q26.5Very low30.1Very low170 Ų170150.9 Ų150.979%0.79475%0.747SS**  trans-131.5130.4159.2-158.1-178.847.200107.3
68Q26.8Very low29.3Very low167 Ų167148.9 Ų148.978%0.7875%0.75SS**  trans66.4158.5163.6-89.4179.520.300117.8
69I31Very low28.5Very low123 Ų123149.6 Ų149.663%0.63176%0.763SS**  cis-131.8169.1-4.8-16.9158000106.4
70Q27.5Very low28.1Very low153 Ų153146 Ų14672%0.71576%0.761SS**  cis176.614049.6-124.6137.3-100105
71Q27.4Very low27.5Very low175 Ų175148 Ų14882%0.81877%0.77SS**  cis-144-166.1-5.1-55.8-173.595.400106.7
72S25Very low27.2Very low92 Ų92145.6 Ų145.664%0.64378%0.777SS**  cis-152.2164.1-0.571.90000107.6
73H24.8Very low26.7Very low155 Ų155146 Ų14672%0.71878%0.779SS**  cis-131.4150.30.6-104.3-82.7000109
74V22.1Very low26.7Very low120 Ų120143 Ų14373%0.72778%0.775SS**  trans-127.4124.3158.7173.30000107.8I76V74-I76 HydrophobicContact CG1-CD1 3.55Å; V74-I76 HydrophobicContact CG1-CG1 3.8Å
75I26.8Very low26.6Very low154 Ų154142.6 Ų142.679%0.7978%0.777SS**  trans-132.2133163.8-61.8-177000108.1
76I25.1Very low26.2Very low134 Ų134139.3 Ų139.369%0.68777%0.774SS**  trans-141.2153.7-173.2-64168.6000104.7V74V74-I76 HydrophobicContact CG1-CD1 3.55Å; V74-I76 HydrophobicContact CG1-CG1 3.8Å
77P33.9Very low26.1Very low108 Ų108135.6 Ų135.670%0.70177%0.765SS**  cis-126.6-170.3-10.828.2-5.8000113.3
78S23.4Very low26.1Very low95 Ų95134.6 Ų134.666%0.66476%0.763SS**  134.1131.9112.467.20000119.3
79T23.9Very low26.1Very low142 Ų142134 Ų13487%0.87177%0.765SS**  trans60140.714750.70000122.7
80G25.8Very low26.2Very low71 Ų71134 Ų13473%0.73277%0.773SS**  trans107.478.1164.700000114.8
81H23.8Very low25.9Very low205 Ų205129.9 Ų129.995%0.94977%0.773SS**  47.197.284.6-91.8-35.9000117
82A27.7Very low25.9Very low101 Ų101130.9 Ų130.984%0.83578%0.777SS**  trans-158.9137138.200000111.7
83Q21.8Very low26.1Very low190 Ų190134.2 Ų134.289%0.88879%0.787SS**  trans-125.2-179.2156.8-67.3-169.1-6.900106.2
84P32.2Very low26.3Very low109 Ų109131.8 Ų131.871%0.70879%0.785SS**  cis-127.5-167.6-9.741.5-26.2000112
85V24.4Very low26.4Very low136 Ų136133.3 Ų133.382%0.82479%0.787SS**  -173.4140124.7142.70000109.3
86C21.9Very low26.4Very low121 Ų121134.1 Ų134.182%0.81879%0.791SS**  trans-108.1153.9171.3-64.50000110
87V25.5Very low26.6Very low126 Ų126131.4 Ų131.476%0.76480%0.796SS**  trans-163.5117.4150.9126.70000112.8
88I27.3Very low26.3Very low150 Ų150130.1 Ų130.177%0.76980%0.803SS**  trans63.3109.8141.1-57.2173.3000120.9
89N27.4Very low26.5Very low154 Ų154130 Ų13082%0.82482%0.816SS**  trans-77.9155.6134.4-89.1-28.1000108.5
90P32.4Very low26.7Very low122 Ų122126.5 Ų126.579%0.79281%0.809SS**  cis-150.9-172.83843.5-23.8000116.9
91G22.3Very low26.7Very low68 Ų68128.8 Ų128.870%0.70181%0.814SS**  trans132.4151.5138.500000120.6
92E25.9Very low26.7Very low196 Ų196124 Ų12492%0.91680%0.803SS**  trans66.8111.7151.3-54.7-165.6141.400122.9
93L29.6Very low26.6Very low161 Ų161125 Ų12584%0.84380%0.799SS**  trans-72.3151139.4-101.577.6000108.6
94P28.9Very low26.7Very low105 Ų105120.3 Ų120.368%0.68279%0.793SS**  -160.4149.882.240-19000120.3
95I24.8Very low26.5Very low152 Ų152122 Ų12278%0.77980%0.801SS**  53155.9125-46.9169.6000121.1
96I27.5Very low26.4Very low170 Ų170121 Ų12187%0.87280%0.796SS**  trans86.5124.2172.3-46.3174.5000113.3
97G27.8Very low26.4Very low77 Ų77119.7 Ų119.779%0.79479%0.787SS**  cis174.4171.2-4.200000109
98G27.5Very low26.4Very low82 Ų82124.3 Ų124.385%0.84579%0.793SS**  cis173.1156.2-5.700000111.6
99G27.5Very low26.2Very low91 Ų91125.8 Ų125.894%0.93880%0.796SS**  trans86.3141176.100000115.8
100G28.3Very low26.1Very low69 Ų69122.8 Ų122.871%0.71179%0.787SS**  cis-176.9167.4-7.200000114
101S26.1Very low25.7Very low120 Ų120121.7 Ų121.784%0.83978%0.783SS**  trans22.7141137.154.30000121.1
102S24.6Very low25.7Very low103 Ų103125.3 Ų125.372%0.7278%0.781SS**  cis-173.8172.7-6.3-145.90000111.8
103T25.7Very low25.6Very low122 Ų122124.9 Ų124.975%0.74877%0.773SS**  trans45.8107.7150.952.70000122.7
104A23Very low25.4Very low93 Ų93122.8 Ų122.877%0.76976%0.762SS**  72.7173.4113.500000123.1
105V27.4Very low25.2Very low143 Ų143122.2 Ų122.287%0.86775%0.753SS**  trans89.5152.8174.5-168.10000115.9
106T23.7Very low25.1Very low117 Ų117123.9 Ų123.972%0.71875%0.754SS**  trans-119.8158.7-149.247.40000115.4
107S22.2Very low25.1Very low92 Ų92118.1 Ų118.164%0.64373%0.727SS**  trans56.7122.4150.259.80000118.4
108Y24Very low25Very low223 Ų223119.2 Ų119.288%0.87572%0.715SS**  -163178.972-109.2-90.1000113.3
109H23.5Very low25Very low181 Ų181122.8 Ų122.884%0.83871%0.71SS**  trans-64.4168.1173.9-96.3-129.5000113.6
110S25Very low24.8Very low92 Ų92125.6 Ų125.664%0.64370%0.7SS**  cis-160.1152.122.750.50000114.6
111S23.5Very low24.7Very low99 Ų99128.9 Ų128.969%0.69270%0.7SS**  trans41.3143.114164.60000122.6
112Q23.4Very low24.6Very low143 Ų143131.6 Ų131.667%0.66870%0.699SS**  cis-170.61626.1-126.6174.4-9.200112.5
113Y23.3Very low24.5Very low188 Ų188136.8 Ų136.874%0.73771%0.705SS**  trans65149.2156-66-48.9000121.4
114N25.1Very low24.4Very low116 Ų116139.5 Ų139.562%0.6271%0.709SS**  cis-168.3157.7-25.9-154.1-4.1000113.1
115L24.3Very low24.8Very low94 Ų94140.9 Ų140.949%0.49271%0.708SS.*  trans58.3137.4160.7-111.963.5000119.5
116K24.4Very low25Very low187 Ų187140.2 Ų140.281%0.81371%0.707SS**  -161.8-170.556.4-127.9173.2-1741790115
117T26.8Very low25.2Very low48 Ų48138.3 Ų138.329%0.29471%0.71SS.*  trans-121171.5-147.8-19.40000116.9D610 P611 T612T117-D610 PolarHBondContact OG1-OD1 2.99Å; T117-P611 HydrophobicContact CG2-CG 4.21Å; T117-T612 HydrophobicContact CG2-CG2 3.4Å; T117-T612 VanDerWaalsContact OG1-CG2 3.23Å; T117-T612 WeakPolarHBondContact OG1-CG2 2.98Å
118N26.4Very low25.2Very low101 Ų101143.4 Ų143.454%0.5472%0.724SS.*  trans114150.9152.7-63.7-57.8000117.5P611N118-P611 WeakPolarHBondContact OD1-CG 3.2Å
119Q27.2Very low25.4Very low157 Ų157139.4 Ų139.473%0.73472%0.722SS**  cis-152.6-178.510.2-137.3155.52400116.4
120M23.4Very low25.4Very low150 Ų150136.3 Ų136.374%0.73972%0.716SS**  trans-67.2179.2-167.8-55168.5-77.400116.9
121I26.6Very low25.5Very low138 Ų138137.3 Ų137.371%0.70872%0.719SS**  -176.8139.174.3-83.4-171.4000115.1
122Q23.3Very low25.6Very low176 Ų176139 Ų13982%0.82273%0.725SS**  trans60.5159.1147.3-73.2174.4-41.200129.1
123Y22.4Very low25.8Very low213 Ų213137 Ų13784%0.83573%0.733SS**  trans-72.1-176.9178.8-63.4-103.2000114.4
124Q24Very low25.9Very low178 Ų178135.6 Ų135.683%0.83274%0.738SS**  cis-159.6170.420.2-152.8160.1-14.900113.9
125T30.1Very low26Very low122 Ų122139.1 Ų139.175%0.74875%0.751SS**  trans-77176.2179.850.70000114.6
126P33.2Very low26.1Very low130 Ų130143.7 Ų143.784%0.84477%0.769SS**  cis-149.1-173.723.545-23.6000119.3
127G27.5Very low26.1Very low77 Ų77145.6 Ų145.679%0.79477%0.773SS**  trans-172.3145.1165.400000113.3
128Q22.5Very low26.1Very low198 Ų198151.5 Ų151.593%0.92580%0.797SS**  trans-101.3157.8-174.8-63.5176.5-55.300113.7
129V28.5Very low26.1Very low139 Ų139152.9 Ų152.984%0.84281%0.809SS**  -171.9158.8125.6141.70000111
130T23.3Very low26.1Very low117 Ų117150.1 Ų150.172%0.71881%0.807SS**  trans-55.8168.1-173.359.30000116.1
131T26.6Very low26.4Very low113 Ų113148.7 Ų148.769%0.69381%0.806SS**  cis-164.2151.325.7-19.90000112.5
132T25.4Very low26.5Very low133 Ų133145.4 Ų145.482%0.81681%0.806SS**  trans33.2112.6152.451.10000121.2
133A27Very low26.8Very low101 Ų101145.1 Ų145.184%0.83581%0.805SS**  trans-153.5148.2147.500000110.2
134D26.7Very low27.2Very low159 Ų159141.7 Ų141.785%0.8580%0.801SS**  trans-75.3131174.3-63.4-88.9000111.9
135Q26.2Very low27.4Very low190 Ų190140.4 Ų140.489%0.88880%0.799SS**  trans-171.2103.7152.4-109.716334.800111.9
136H26.9Very low27.5Very low190 Ų190138.2 Ų138.288%0.8879%0.794SS**  trans-136.243.9165.4-109.3-28.1000112.8
137Y24.4Very low27.6Very low228 Ų228137.6 Ų137.689%0.89478%0.779SS**  trans-100.686.4161.2-94.4-79.2000109.7
138H25.5Very low28.2Very low172 Ų172140.7 Ų140.780%0.79678%0.778SS**  trans-17274.1160.1-107.7-67.9000111.8
139T27.3Very low29.2Very low130 Ų130137 Ų13780%0.79877%0.769SS**  trans-155.243.1168.2-21.10000114.8
140S26.9Very low30.3Very low98 Ų98132.4 Ų132.469%0.68574%0.74SS**  trans-143.940.8177.365.20000114.4
141V30.2Very low31.8Very low120 Ų120131 Ų13173%0.72774%0.735SS**SBendtrans-116.715.7175-1570000111.5
142G28.3Very low33.5Very low69 Ų69127.4 Ų127.471%0.71171%0.712SS**SBendtrans-109.4-13.1-179.300000115.7
143E30Very low35.6Very low170 Ų170121.8 Ų121.879%0.79468%0.68SS**SBendtrans-1104.1-174-73.7-178.7143.100114
144L31.7Very low38.3Very low142 Ų142119.8 Ų119.874%0.74367%0.67SS**SBendtrans-91.9-20.3176.9-95157.8000114.1A146L144-A146 VanDerWaalsContact C-N 3.28Å; L144-A146 PolarHBondContact O-N 3.18Å
145N28.5Very low41.2Very low150 Ų150115.7 Ų115.780%0.80264%0.642SS**SBendtrans-90.821.4-178.5-64.910.4000113.2
146A31.4Very low44.2Very low76 Ų76106.6 Ų106.663%0.62860%0.6SS**  trans-103.59.8-17400000114.1L144L144-A146 VanDerWaalsContact C-N 3.28Å; L144-A146 PolarHBondContact O-N 3.18Å
147H35.7Very low47.3Very low117 Ų117102 Ų10254%0.54258%0.575SS.*  trans-104.5-0.2-166.9-144.2-51.8000115.6V149H147-V149 PolarHBondContact O-N 3.37Å
148D39.1Very low50.5Low143 Ų14396.1 Ų96.177%0.76555%0.554SS**  trans-80.53.3177-70.4-24.9000114.1V150D148-V150 VanDerWaalsContact C-N 3.31Å; D148-V150 PolarHBondContact O-N 3.14Å
149V44.4Very low53.7Low121 Ų12187.9 Ų87.973%0.73352%0.516SS*.  trans-7091.1168.6-174.80000108.9H147 S151H147-V149 PolarHBondContact O-N 3.37Å; V149-S151 PolarHBondContact O-N 3.35Å
150V51.7Low56.9Low41 Ų4182.2 Ų82.225%0.24848%0.481CS..  trans-58105.5164.6179.20000107.3D148 D152 W382D148-V150 VanDerWaalsContact C-N 3.31Å; D148-V150 PolarHBondContact O-N 3.14Å; V150-D152 PolarHBondContact O-N 2.79Å; V150-W382 HydrophobicContact CG2-CZ2 4.24Å
151S53.5Low60.1Low88 Ų8881.9 Ų81.962%0.61547%0.471SS*.  trans-68.2115.1-178.561.80000109.9V149 G153V149-S151 PolarHBondContact O-N 3.35Å; S151-G153 PolarHBondContact O-N 3.43Å
152D62.3Low63.1Low37 Ų3776.2 Ų76.220%0.19844%0.437CS..SBendtrans-64.477.2173.2-83.6-4.8000110.8V150 F323 Q324 Q325 K326V150-D152 PolarHBondContact O-N 2.79Å; D152-F323 HydrophobicContact CB-CD1 3.93Å; D152-F323 HydrophobicContact CB-CE1 4.48Å; D152-F323 WeakPolarHBondContact OD1-CA 3.39Å; D152-Q324 PolarHBondContact OD1-N 3.27Å; D152-Q325 WeakPolarHBondContact OD2-CA 3.47Å; D152-Q325 VanDerWaalsContact OD2-CB 3.31Å; D152-Q325 WeakPolarHBondContact OD2-CB 3.37Å; D152-Q325 PolarHBondContact OD2-N 3.5Å; D152-K326 PolarHBondContact OD2-N 3.34Å
153G69.8Low66.3Low15 Ų1572.9 Ų72.916%0.15540%0.403CS..  trans172.3-162.9-167.500000114.4S151 W155 G156S151-G153 PolarHBondContact O-N 3.43Å; G153-W155 PolarHBondContact O-N 3.46Å; G153-G156 PolarHBondContact O-N 3.03Å
154G83.6Confident69.4Low59 Ų5967.3 Ų67.361%0.60838%0.376SS*.THydrogen-bonded Turntrans61.5-130.117900000113.1G156 W157G154-G156 PolarHBondContact O-N 3.17Å; G154-W157 PolarHBondContact O-N 3.19Å
155W87.6Confident72.4Confident73 Ų7362.2 Ų62.228%0.27735%0.352SS..THydrogen-bonded Turntrans-69.2-17.5-174.7-166.6-87.1000113.6G153 W157 F158 V159 W322 L378G153-W155 PolarHBondContact O-N 3.46Å; W155-W157 PolarHBondContact O-N 2.92Å; W155-F158 HydrophobicContact CD2-CB 4.3Å; W155-F158 HydrophobicContact CE3-CD2 4.26Å; W155-F158 WeakPolarHBondContact O-CB 3.39Å; W155-F158 PolarHBondContact O-N 3.19Å; W155-V159 PolarHBondContact O-N 3.22Å; W155-V159 VanDerWaalsContact O-N 3.17Å; W155-W322 HydrophobicContact CB-CH2 3.7Å; W155-W322 HydrophobicContact CB-CZ3 3.72Å; W155-W322 AromaticContact CD1-CH2 3.56Å; W155-W322 AromaticContact CD1-CZ2 3.86Å; W155-W322 AromaticContact CG-CH2 3.98Å; W155-W322 HydrophobicContact CG-CH2 3.98Å; W155-W322 HydrophobicContact CG-CZ3 4.44Å; W155-L378 HydrophobicContact CZ2-CD2 4.2Å; W155-L378 PolarHBondContact NE1-O 3.29Å; W155-L378 VanDerWaalsContact NE1-O 3.07Å
156G89.1Confident75.6Confident0 Ų055 Ų550%031%0.314CS..Hα-helixtrans-56.1-36.3175.800000113.1G153 G154 F158 V159 V160 W322G153-G156 PolarHBondContact O-N 3.03Å; G154-G156 PolarHBondContact O-N 3.17Å; G156-F158 VanDerWaalsContact C-N 3.34Å; G156-F158 PolarHBondContact O-N 2.94Å; G156-V159 WeakPolarHBondContact O-CB 3.29Å; G156-V159 PolarHBondContact O-N 2.91Å; G156-V159 VanDerWaalsContact O-N 3.15Å; G156-V160 WeakPolarHBondContact O-CG2 3.36Å; G156-V160 PolarHBondContact O-N 3.37Å; G156-W322 VanDerWaalsContact CA-CE3 3.42Å; G156-W322 VanDerWaalsContact N-CE3 3.34Å
157W92Very high78.6Confident94 Ų9451.4 Ų51.436%0.35628%0.284SS..Hα-helixtrans-68.8-28.9176.4-69.4115.5000113.6G154 W155 V160 L161 F323 L329 L333G154-W157 PolarHBondContact O-N 3.19Å; W155-W157 PolarHBondContact O-N 2.92Å; W157-V160 HydrophobicContact CE3-CB 4.22Å; W157-V160 HydrophobicContact CE3-CG1 4.26Å; W157-V160 HydrophobicContact CE3-CG2 4.18Å; W157-V160 HydrophobicContact CZ3-CG1 4.39Å; W157-V160 HydrophobicContact CZ3-CG2 4.44Å; W157-V160 PolarHBondContact O-N 3.08Å; W157-L161 WeakPolarHBondContact O-CB 3.47Å; W157-L161 PolarHBondContact O-N 3.05Å; W157-F323 HydrophobicContact CD2-CE1 4.17Å; W157-F323 AromaticContact CD2-CZ 3.78Å; W157-F323 HydrophobicContact CD2-CZ 3.78Å; W157-F323 AromaticContact CE2-CE1 3.67Å; W157-F323 AromaticContact CE2-CZ 3.79Å; W157-F323 HydrophobicContact CE3-CZ 4.11Å; W157-F323 HydrophobicContact CG-CZ 4.16Å; W157-F323 HydrophobicContact CH2-CE1 4.26Å; W157-F323 HydrophobicContact CH2-CZ 4.43Å; W157-F323 AromaticContact CZ2-CE1 3.73Å; W157-F323 HydrophobicContact CZ2-CE1 3.73Å; W157-F323 HydrophobicContact CZ2-CZ 4.14Å; W157-F323 HydrophobicContact CZ3-CZ 4.41Å; W157-F323 AromaticContact NE1-CE1 3.92Å; W157-L329 HydrophobicContact CH2-CD2 4.31Å; W157-L333 HydrophobicContact CH2-CD1 4.14Å; W157-L333 HydrophobicContact CZ3-CD1 3.73Å
158F92.4Very high81.4Confident103 Ų10346.8 Ų46.845%0.45226%0.264SS..Hα-helixtrans-73.2-30.1171.5-71.4-85.9000112W155 G156 G162 L378W155-F158 HydrophobicContact CD2-CB 4.3Å; W155-F158 HydrophobicContact CE3-CD2 4.26Å; W155-F158 WeakPolarHBondContact O-CB 3.39Å; W155-F158 PolarHBondContact O-N 3.19Å; G156-F158 VanDerWaalsContact C-N 3.34Å; G156-F158 PolarHBondContact O-N 2.94Å; F158-G162 PolarHBondContact O-N 3.44Å; F158-L378 HydrophobicContact CB-CD2 4.47Å
159V92.5Very high84.1Confident0 Ų041.7 Ų41.70%024%0.236CC..Hα-helixtrans-69.8-42.7170.9178.70000110.8W155 G156 L161 G162 S163 V319 W322 F379W155-V159 PolarHBondContact O-N 3.22Å; W155-V159 VanDerWaalsContact O-N 3.17Å; G156-V159 WeakPolarHBondContact O-CB 3.29Å; G156-V159 PolarHBondContact O-N 2.91Å; G156-V159 VanDerWaalsContact O-N 3.15Å; V159-L161 VanDerWaalsContact C-N 3.35Å; V159-L161 PolarHBondContact O-N 2.86Å; V159-G162 PolarHBondContact O-N 3.42Å; V159-S163 VanDerWaalsContact O-CB 3.31Å; V159-S163 WeakPolarHBondContact O-CB 3.44Å; V159-S163 PolarHBondContact O-N 3.25Å; V159-V319 HydrophobicContact CG1-CG2 4.15Å; V159-W322 HydrophobicContact CG2-CD2 4.37Å; V159-W322 HydrophobicContact CG2-CZ2 4.1Å; V159-F379 HydrophobicContact CG1-CD1 4.07Å; V159-F379 HydrophobicContact CG1-CE1 4.46Å
160V93.9Very high86.5Confident10 Ų1036 Ų366%0.06120%0.202CC..Hα-helixtrans-57-46.3171.7170.90000111G156 W157 S163 F164 V319 F323 A330 L333 A334G156-V160 WeakPolarHBondContact O-CG2 3.36Å; G156-V160 PolarHBondContact O-N 3.37Å; W157-V160 HydrophobicContact CE3-CB 4.22Å; W157-V160 HydrophobicContact CE3-CG1 4.26Å; W157-V160 HydrophobicContact CE3-CG2 4.18Å; W157-V160 HydrophobicContact CZ3-CG1 4.39Å; W157-V160 HydrophobicContact CZ3-CG2 4.44Å; W157-V160 PolarHBondContact O-N 3.08Å; V160-S163 PolarHBondContact O-N 3.21Å; V160-F164 WeakPolarHBondContact O-CB 3.45Å; V160-F164 PolarHBondContact O-N 3.41Å; V160-V319 HydrophobicContact CG2-CG1 3.69Å; V160-V319 HydrophobicContact CG2-CG2 4.14Å; V160-F323 HydrophobicContact CG2-CE2 3.65Å; V160-F323 HydrophobicContact CG2-CZ 4.19Å; V160-A330 HydrophobicContact CG2-CB 4.04Å; V160-L333 HydrophobicContact CG1-CB 4.08Å; V160-A334 HydrophobicContact CG1-CB 4.4Å
161L94.1Very high88.4Confident92 Ų9234.2 Ų34.248%0.48219%0.191SC..Hα-helixtrans-62.9-45.4177.3-179.662000112.4W157 V159 S163 F164 C165W157-L161 WeakPolarHBondContact O-CB 3.47Å; W157-L161 PolarHBondContact O-N 3.05Å; V159-L161 VanDerWaalsContact C-N 3.35Å; V159-L161 PolarHBondContact O-N 2.86Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 3.5Å; L161-F164 PolarHBondContact O-N 3.38Å; L161-C165 PolarHBondContact O-N 3.07Å; L161-C165 PolarHBondContact O-SG 2.78Å; L161-C165 VanDerWaalsContact O-SG 3.4Å
162G93.9Very high90.3Very high0 Ų030.3 Ų30.30%016%0.164CC..Hα-helixtrans-60.4-40.3175.300000112.5F158 V159 C165 C166F158-G162 PolarHBondContact O-N 3.44Å; V159-G162 PolarHBondContact O-N 3.42Å; G162-C165 PolarHBondContact O-N 3.27Å; G162-C166 PolarHBondContact O-N 3.47Å; G162-C166 PolarHBondContact O-SG 2.92Å
163S94.5Very high91.9Very high0 Ų028.8 Ų28.80%016%0.156CC..Hα-helixtrans-67.9-45.9177.8-178.10000111.9V159 V160 L161 C165 C166 M167 A315V159-S163 VanDerWaalsContact O-CB 3.31Å; V159-S163 WeakPolarHBondContact O-CB 3.44Å; V159-S163 PolarHBondContact O-N 3.25Å; V160-S163 PolarHBondContact O-N 3.21Å; L161-S163 VanDerWaalsContact C-N 3.3Å; L161-S163 PolarHBondContact O-N 3.5Å; S163-C165 VanDerWaalsContact C-N 3.35Å; S163-C165 PolarHBondContact O-N 3.16Å; S163-C166 WeakPolarHBondContact O-CB 3.26Å; S163-C166 PolarHBondContact O-N 2.72Å; S163-C166 VanDerWaalsContact O-N 3.09Å; S163-M167 WeakPolarHBondContact O-CG 3.42Å; S163-M167 PolarHBondContact O-N 3.36Å; S163-A315 WeakPolarHBondContact CB-O 3.3Å; S163-A315 PolarHBondContact OG-O 3.31Å
164F95.3Very high93.1Very high52 Ų5228.1 Ų28.123%0.22815%0.149CC..Hα-helixtrans-52.7-50.4172.4173.2-93.3000111.5V160 L161 C166 M167 V168 L333 C336 G337 M340V160-F164 WeakPolarHBondContact O-CB 3.45Å; V160-F164 PolarHBondContact O-N 3.41Å; L161-F164 PolarHBondContact O-N 3.38Å; F164-C166 VanDerWaalsContact C-N 3.32Å; F164-C166 PolarHBondContact O-N 3.48Å; F164-M167 PolarHBondContact O-N 2.91Å; F164-V168 HydrophobicContact CD1-CG2 4.26Å; F164-V168 HydrophobicContact CE1-CG2 3.95Å; F164-V168 HydrophobicContact CZ-CG2 4.16Å; F164-V168 WeakPolarHBondContact O-CG2 3.47Å; F164-V168 PolarHBondContact O-N 2.83Å; F164-L333 WeakPolarHBondContact CD2-O 3.49Å; F164-C336 HydrophobicContact CD2-CB 4.44Å; F164-C336 HydrophobicContact CE2-CB 4.2Å; F164-G337 VanDerWaalsContact CD2-N 3.27Å; F164-G337 VanDerWaalsContact CE2-CA 3.48Å; F164-M340 HydrophobicContact CE2-CB 4.34Å; F164-M340 HydrophobicContact CZ-CB 3.97Å; F164-M340 HydrophobicContact CZ-CG 3.98Å
165C95.5Very high93.5Very high35 Ų3526 Ų2624%0.23612%0.123CC..Hα-helixtrans-66.4-30.6178.6-65.80000113.2L161 G162 S163 L375L161-C165 PolarHBondContact O-N 3.07Å; L161-C165 PolarHBondContact O-SG 2.78Å; L161-C165 VanDerWaalsContact O-SG 3.4Å; G162-C165 PolarHBondContact O-N 3.27Å; S163-C165 VanDerWaalsContact C-N 3.35Å; S163-C165 PolarHBondContact O-N 3.16Å; C165-L375 HydrophobicContact CB-CD1 3.54Å; C165-L375 HydrophobicContact CB-CD2 3.97Å; C165-L375 HydrophobicContact CB-CG 4.34Å
166C95.5Very high93.8Very high0 Ų022.6 Ų22.60%011%0.11CC..Hα-helixtrans-68-44.1170.4-66.20000111.5G162 S163 F164 V168 L169 V170 I311 A315G162-C166 PolarHBondContact O-N 3.47Å; G162-C166 PolarHBondContact O-SG 2.92Å; S163-C166 WeakPolarHBondContact O-CB 3.26Å; S163-C166 PolarHBondContact O-N 2.72Å; S163-C166 VanDerWaalsContact O-N 3.09Å; F164-C166 VanDerWaalsContact C-N 3.32Å; F164-C166 PolarHBondContact O-N 3.48Å; C166-V168 VanDerWaalsContact C-N 3.34Å; C166-V168 PolarHBondContact O-N 3.34Å; C166-L169 PolarHBondContact O-N 3.34Å; C166-L169 VanDerWaalsContact O-N 3.11Å; C166-V170 WeakPolarHBondContact O-CG2 3.43Å; C166-V170 PolarHBondContact O-N 3.16Å; C166-I311 HydrophobicContact CB-CG2 3.99Å; C166-A315 HydrophobicContact CB-CB 4.12Å
167M94.2Very high94.1Very high0 Ų022.6 Ų22.60%011%0.11CC..Hα-helixtrans-63.5-36.2177.6-70-69.7130.200112.8S163 F164 L169 D171 Y312 A315 I316 L335S163-M167 WeakPolarHBondContact O-CG 3.42Å; S163-M167 PolarHBondContact O-N 3.36Å; F164-M167 PolarHBondContact O-N 2.91Å; M167-L169 PolarHBondContact O-N 3.11Å; M167-D171 PolarHBondContact O-N 3.05Å; M167-Y312 HydrophobicContact CE-CD2 3.53Å; M167-Y312 HydrophobicContact CE-CE2 3.97Å; M167-Y312 HydrophobicContact CE-CG 4.16Å; M167-Y312 WeakPolarHBondContact CE-O 3.36Å; M167-Y312 HydrophobicContact SD-CD2 3.88Å; M167-Y312 HydrophobicContact SD-CE2 3.82Å; M167-A315 HydrophobicContact CE-CB 3.65Å; M167-I316 HydrophobicContact CE-CD1 3.92Å; M167-I316 HydrophobicContact CE-CG1 3.72Å; M167-I316 HydrophobicContact SD-CD1 4.19Å; M167-I316 HydrophobicContact SD-CG1 4.22Å; M167-L335 HydrophobicContact SD-CD2 4.38Å
168V95.6Very high94.1Very high20 Ų2018.1 Ų18.112%0.1219%0.093CC..Hα-helixtrans-54.4-39171.3166.90000111.8F164 C166 G172 G337 M340 G341 I344F164-V168 HydrophobicContact CD1-CG2 4.26Å; F164-V168 HydrophobicContact CE1-CG2 3.95Å; F164-V168 HydrophobicContact CZ-CG2 4.16Å; F164-V168 WeakPolarHBondContact O-CG2 3.47Å; F164-V168 PolarHBondContact O-N 2.83Å; C166-V168 VanDerWaalsContact C-N 3.34Å; C166-V168 PolarHBondContact O-N 3.34Å; V168-G172 WeakPolarHBondContact O-CA 3.21Å; V168-G172 PolarHBondContact O-N 3.03Å; V168-G337 VanDerWaalsContact CA-O 3.24Å; V168-G337 WeakPolarHBondContact CA-O 2.88Å; V168-G337 VanDerWaalsContact CG2-O 3.26Å; V168-G337 WeakPolarHBondContact CG2-O 3.34Å; V168-G337 PolarHBondContact N-O 3.41Å; V168-M340 HydrophobicContact CG2-CB 4.04Å; V168-M340 HydrophobicContact CG2-CG 4.13Å; V168-G341 WeakPolarHBondContact O-CA 3.17Å; V168-I344 HydrophobicContact CG1-CD1 4.16Å
169L94.5Very high94.1Very high35 Ų3513.2 Ų13.218%0.1837%0.072CC..Hα-helixtrans-90.1-42.7-175.2-64.5174.2000112.6C166 M167 I173 V368 C372C166-L169 PolarHBondContact O-N 3.34Å; C166-L169 VanDerWaalsContact O-N 3.11Å; M167-L169 PolarHBondContact O-N 3.11Å; L169-I173 WeakPolarHBondContact O-CB 3.39Å; L169-I173 WeakPolarHBondContact O-CD1 3.07Å; L169-I173 VanDerWaalsContact O-CG1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.21Å; L169-I173 PolarHBondContact O-N 3.22Å; L169-I173 VanDerWaalsContact O-N 3.07Å; L169-V368 HydrophobicContact CD1-CG1 3.88Å; L169-V368 HydrophobicContact CD2-CG1 3.49Å; L169-V368 VanDerWaalsContact CD2-CG1 3.49Å; L169-V368 HydrophobicContact CG-CG1 4.35Å; L169-C372 WeakPolarHBondContact CD1-SG 3.4Å
170V95Very high94.1Very high2 Ų213.5 Ų13.51%0.0127%0.073CC..Hα-helixtrans-62.3-63.1178.9174.30000111C166 G172 C174 L308 I311 Y312C166-V170 WeakPolarHBondContact O-CG2 3.43Å; C166-V170 PolarHBondContact O-N 3.16Å; V170-G172 VanDerWaalsContact C-N 3.32Å; V170-G172 PolarHBondContact O-N 2.83Å; V170-C174 WeakPolarHBondContact O-CB 3.16Å; V170-C174 PolarHBondContact O-N 3.15Å; V170-C174 PolarHBondContact O-SG 3.12Å; V170-L308 HydrophobicContact CB-CD2 4.34Å; V170-L308 HydrophobicContact CG1-CB 4.33Å; V170-L308 HydrophobicContact CG1-CD2 4.28Å; V170-L308 HydrophobicContact CG2-CD2 3.98Å; V170-I311 HydrophobicContact CG2-CB 4.05Å; V170-I311 HydrophobicContact CG2-CG2 3.78Å; V170-Y312 HydrophobicContact CG1-CD2 4.02Å
171D92.6Very high93.9Very high4 Ų413.1 Ų13.12%0.0217%0.071CC..Hα-helixtrans-72.6-29.3-177.4-84.8-8.5000111.3M167 C174 F175 Y253 S338M167-D171 PolarHBondContact O-N 3.05Å; D171-C174 PolarHBondContact O-N 3.34Å; D171-F175 HydrophobicContact CB-CD2 3.84Å; D171-F175 HydrophobicContact CB-CE2 3.69Å; D171-F175 WeakPolarHBondContact O-CB 3.38Å; D171-F175 WeakPolarHBondContact O-CD2 3.45Å; D171-F175 PolarHBondContact O-N 3.21Å; D171-Y253 VanDerWaalsContact OD1-CZ 3.28Å; D171-Y253 PolarHBondContact OD1-OH 3.35Å; D171-S338 VanDerWaalsContact CB-CB 3.41Å; D171-S338 WeakPolarHBondContact OD2-CB 3.31Å
172G93.5Very high93.4Very high5 Ų59.6 Ų9.65%0.0525%0.053CC..Hα-helixtrans-60.9-47.3175.200000113.1V168 V170 T176V168-G172 WeakPolarHBondContact O-CA 3.21Å; V168-G172 PolarHBondContact O-N 3.03Å; V170-G172 VanDerWaalsContact C-N 3.32Å; V170-G172 PolarHBondContact O-N 2.83Å; G172-T176 WeakPolarHBondContact O-CB 3.25Å; G172-T176 VanDerWaalsContact O-CG2 3.31Å; G172-T176 WeakPolarHBondContact O-CG2 3.33Å; G172-T176 PolarHBondContact O-N 2.99Å; G172-T176 PolarHBondContact O-OG1 3.03Å
173I94.4Very high92.5Very high6 Ų610.1 Ų10.13%0.0316%0.056CC..Hα-helixtrans-65.6-47.1176.4-69.9169.5000110.4L169 T176 Y177 L284 F300 L365 C369L169-I173 WeakPolarHBondContact O-CB 3.39Å; L169-I173 WeakPolarHBondContact O-CD1 3.07Å; L169-I173 VanDerWaalsContact O-CG1 3.25Å; L169-I173 WeakPolarHBondContact O-CG1 3.21Å; L169-I173 PolarHBondContact O-N 3.22Å; L169-I173 VanDerWaalsContact O-N 3.07Å; I173-T176 PolarHBondContact O-N 2.84Å; I173-Y177 PolarHBondContact O-N 3.13Å; I173-L284 HydrophobicContact CD1-CD1 4.13Å; I173-F300 HydrophobicContact CG2-CZ 4.34Å; I173-L365 HydrophobicContact CD1-CD2 4.22Å; I173-L365 HydrophobicContact CG1-CD1 4.39Å; I173-L365 HydrophobicContact CG1-CD2 3.98Å; I173-C369 WeakPolarHBondContact CD1-SG 3.3Å
174C94.6Very high91.3Very high0 Ų013.8 Ų13.80%08%0.075CC..Hα-helixtrans-55.7-53.7179.3-83.80000113.3V170 D171 T176 V250 Y253V170-C174 WeakPolarHBondContact O-CB 3.16Å; V170-C174 PolarHBondContact O-N 3.15Å; V170-C174 PolarHBondContact O-SG 3.12Å; D171-C174 PolarHBondContact O-N 3.34Å; C174-T176 VanDerWaalsContact C-N 3.34Å; C174-T176 PolarHBondContact O-N 3.04Å; C174-V250 HydrophobicContact CB-CG2 3.8Å; C174-Y253 HydrophobicContact CB-CE1 4.22Å; C174-Y253 VanDerWaalsContact SG-CD1 3.59Å; C174-Y253 VanDerWaalsContact SG-CE1 3.55Å
175F93.2Very high90Very high14 Ų1411.8 Ų11.86%0.0617%0.067CC..Hα-helixtrans-81.8-7.9-175.4-62.5-48.9000114.3D171 C342 F1176D171-F175 HydrophobicContact CB-CD2 3.84Å; D171-F175 HydrophobicContact CB-CE2 3.69Å; D171-F175 WeakPolarHBondContact O-CB 3.38Å; D171-F175 WeakPolarHBondContact O-CD2 3.45Å; D171-F175 PolarHBondContact O-N 3.21Å; F175-C342 VanDerWaalsContact CB-SG 3.58Å; F175-F1176 HydrophobicContact CB-CB 4.2Å; F175-F1176 HydrophobicContact CB-CD1 3.73Å; F175-F1176 HydrophobicContact CB-CE1 4.26Å; F175-F1176 HydrophobicContact CB-CG 4Å; F175-F1176 HydrophobicContact CD1-CB 4.17Å; F175-F1176 HydrophobicContact CD1-CD1 4.28Å; F175-F1176 AromaticContact CD1-CD2 3.83Å; F175-F1176 HydrophobicContact CD1-CD2 3.83Å; F175-F1176 HydrophobicContact CD1-CE2 4.26Å; F175-F1176 AromaticContact CD1-CG 3.84Å; F175-F1176 HydrophobicContact CD1-CG 3.84Å; F175-F1176 HydrophobicContact CE1-CD2 4.27Å; F175-F1176 HydrophobicContact CE1-CE2 4.43Å; F175-F1176 HydrophobicContact CG-CD1 4.08Å; F175-F1176 HydrophobicContact CG-CD2 4.4Å; F175-F1176 HydrophobicContact CG-CE1 4.31Å; F175-F1176 HydrophobicContact CG-CG 4.11Å
176T94.5Very high88.3Confident2 Ų212.9 Ų12.91%0.0127%0.074CC..Hα-helixtrans-1041.7174.462.30000114.4G172 I173 C174 G178 L179 I1197G172-T176 WeakPolarHBondContact O-CB 3.25Å; G172-T176 VanDerWaalsContact O-CG2 3.31Å; G172-T176 WeakPolarHBondContact O-CG2 3.33Å; G172-T176 PolarHBondContact O-N 2.99Å; G172-T176 PolarHBondContact O-OG1 3.03Å; I173-T176 PolarHBondContact O-N 2.84Å; C174-T176 VanDerWaalsContact C-N 3.34Å; C174-T176 PolarHBondContact O-N 3.04Å; T176-G178 PolarHBondContact O-N 3.09Å; T176-G178 VanDerWaalsContact O-N 3.11Å; T176-L179 HydrophobicContact CG2-CD1 4.49Å; T176-L179 WeakPolarHBondContact O-CB 3.48Å; T176-L179 PolarHBondContact O-N 2.82Å; T176-I1197 HydrophobicContact CG2-CG2 4.13Å
177Y94.6Very high86.4Confident0 Ų015 Ų150%08%0.082CC..Hα-helixtrans-52-34.6174.1177.2-96.4000113.5I173 L179 L180 I181 L242 P245 F296 F300 L1177I173-Y177 PolarHBondContact O-N 3.13Å; Y177-L179 PolarHBondContact O-N 3.49Å; Y177-L179 VanDerWaalsContact O-N 3.1Å; Y177-L180 HydrophobicContact CD2-CD1 4.22Å; Y177-L180 WeakPolarHBondContact O-CB 3.48Å; Y177-L180 PolarHBondContact O-N 2.93Å; Y177-I181 HydrophobicContact CD1-CD1 4.37Å; Y177-I181 HydrophobicContact CE1-CD1 3.85Å; Y177-I181 HydrophobicContact CE1-CG1 4.1Å; Y177-I181 PolarHBondContact O-N 3.23Å; Y177-L242 WeakPolarHBondContact CE1-O 3.01Å; Y177-L242 PolarHBondContact OH-O 2.98Å; Y177-P245 HydrophobicContact CE2-CB 4.22Å; Y177-P245 WeakPolarHBondContact OH-CG 3.33Å; Y177-F296 HydrophobicContact CE2-CE1 4.16Å; Y177-F296 HydrophobicContact CE2-CZ 4.46Å; Y177-F300 HydrophobicContact CD2-CD1 4.18Å; Y177-F300 AromaticContact CD2-CE1 3.31Å; Y177-F300 HydrophobicContact CD2-CE1 3.31Å; Y177-F300 AromaticContact CD2-CZ 3.6Å; Y177-F300 HydrophobicContact CD2-CZ 3.6Å; Y177-F300 AromaticContact CE2-CD1 3.99Å; Y177-F300 HydrophobicContact CE2-CD1 3.99Å; Y177-F300 AromaticContact CE2-CE1 3.59Å; Y177-F300 HydrophobicContact CE2-CE1 3.59Å; Y177-F300 HydrophobicContact CE2-CZ 4.13Å; Y177-F300 HydrophobicContact CG-CE1 4.27Å; Y177-L1177 HydrophobicContact CD1-CD2 4.17Å; Y177-L1177 HydrophobicContact CD1-CG 4.38Å
178G91.1Very high84.2Confident1 Ų117.8 Ų17.81%0.0110%0.101CC..Hα-helixtrans-58.3-22.1175.400000114.7T176T176-G178 PolarHBondContact O-N 3.09Å; T176-G178 VanDerWaalsContact O-N 3.11Å
179L93.8Very high81.4Confident0 Ų023.7 Ų23.70%013%0.132CC..Hα-helixtrans-84.1-27174.6-63.6168.3000112.5T176 Y177 I181 N182 I349 P350 P1180 L1190 I1197T176-L179 HydrophobicContact CG2-CD1 4.49Å; T176-L179 WeakPolarHBondContact O-CB 3.48Å; T176-L179 PolarHBondContact O-N 2.82Å; Y177-L179 PolarHBondContact O-N 3.49Å; Y177-L179 VanDerWaalsContact O-N 3.1Å; L179-I181 PolarHBondContact O-N 2.83Å; L179-N182 PolarHBondContact O-N 3.25Å; L179-N182 VanDerWaalsContact O-N 3.15Å; L179-I349 HydrophobicContact CB-CB 4.36Å; L179-I349 HydrophobicContact CB-CG2 3.7Å; L179-I349 HydrophobicContact CD1-CB 4.38Å; L179-P350 HydrophobicContact CD1-CG 4.06Å; L179-P350 HydrophobicContact CD2-CG 4.38Å; L179-P1180 HydrophobicContact CD2-CB 4.4Å; L179-P1180 HydrophobicContact CD2-CG 3.79Å; L179-P1180 HydrophobicContact CG-CG 4.33Å; L179-L1190 HydrophobicContact CD2-CD1 3.97Å; L179-I1197 HydrophobicContact CD1-CD1 3.94Å; L179-I1197 HydrophobicContact CD2-CD1 4.01Å; L179-I1197 HydrophobicContact CG-CD1 3.81Å
180L92.8Very high78.7Confident6 Ų625.1 Ų25.13%0.03114%0.14CC..Hα-helixtrans-69.5-22.9174.8-65.2174.7000112.6Y177 N182 F300 I349 V353 T361 L362Y177-L180 HydrophobicContact CD2-CD1 4.22Å; Y177-L180 WeakPolarHBondContact O-CB 3.48Å; Y177-L180 PolarHBondContact O-N 2.93Å; L180-N182 PolarHBondContact O-N 3.47Å; L180-F300 HydrophobicContact CD1-CZ 4.49Å; L180-I349 HydrophobicContact CD2-CG2 3.76Å; L180-I349 HydrophobicContact CG-CG2 4.17Å; L180-V353 HydrophobicContact CD2-CG2 4.03Å; L180-T361 HydrophobicContact CD2-CG2 3.64Å; L180-L362 HydrophobicContact CD1-CD2 4.12Å
181I89.7Confident75.8Confident2 Ų234 Ų341%0.0117%0.173CC..THydrogen-bonded Turntrans-63.3-26.2171.1-73.3176.8000111.8Y177 L179 S228 L230 L242 L243Y177-I181 HydrophobicContact CD1-CD1 4.37Å; Y177-I181 HydrophobicContact CE1-CD1 3.85Å; Y177-I181 HydrophobicContact CE1-CG1 4.1Å; Y177-I181 PolarHBondContact O-N 3.23Å; L179-I181 PolarHBondContact O-N 2.83Å; I181-S228 WeakPolarHBondContact O-CA 3.43Å; I181-S228 WeakPolarHBondContact O-CB 3.5Å; I181-L230 HydrophobicContact CG1-CD2 4.11Å; I181-L242 HydrophobicContact CD1-CD2 4.46Å; I181-L242 HydrophobicContact CD1-CG 4.48Å; I181-L242 HydrophobicContact CG1-CD2 4.15Å; I181-L242 HydrophobicContact CG1-CG 4.32Å; I181-L242 HydrophobicContact CG2-CD2 3.84Å; I181-L243 HydrophobicContact CD1-CD2 3.7Å; I181-L243 HydrophobicContact CD1-CG 4.42Å
182N82.9Confident73Confident18 Ų1839.5 Ų39.510%0.09621%0.207CC..  trans4273.6-175.2-166.58.6000114.1L179 L180 I184 E229 V353L179-N182 PolarHBondContact O-N 3.25Å; L179-N182 VanDerWaalsContact O-N 3.15Å; L180-N182 PolarHBondContact O-N 3.47Å; N182-I184 PolarHBondContact O-N 3.35Å; N182-E229 HydrophobicContact CB-CB 4.15Å; N182-E229 PolarHBondContact ND2-OE2 3.42Å; N182-E229 PolarHBondContact O-N 3.49Å; N182-V353 HydrophobicContact CB-CG1 4.2Å
183P74.5Confident70Confident10 Ų1044.9 Ų44.97%0.06523%0.233CC..EExtended strand (participates in β ladder)trans-73.2106.317829.6-33.5000111.7P226 I227 P1180 D1181 A1184P183-P226 HydrophobicContact CB-CB 3.86Å; P183-I227 CarbonylContact C-O 3.48Å; P183-I227 WeakPolarHBondContact CA-O 3.36Å; P183-P1180 HydrophobicContact CG-CB 3.56Å; P183-D1181 WeakPolarHBondContact CB-OD1 3.4Å; P183-A1184 HydrophobicContact CB-CB 3.84Å; P183-A1184 HydrophobicContact CG-CB 4.19Å; P183-A1184 WeakPolarHBondContact O-CB 3.44Å
184I70.2Confident66.9Low78 Ų7848.8 Ų48.840%0.426%0.261SS..EExtended strand (participates in β ladder)trans-104136.9179.6-60.1168000109.6N182 P186 I227N182-I184 PolarHBondContact O-N 3.35Å; I184-P186 WeakPolarHBondContact O-CD 3.48Å; I184-I227 PolarHBondContact N-O 3.41Å; I184-I227 PolarHBondContact O-N 3.36Å
185C67.4Low63.8Low9 Ų954.7 Ų54.76%0.06130%0.302CS..  trans-96.7110.7166-870000111Y187 S188 C224 A1184C185-Y187 PolarHBondContact O-N 3.37Å; C185-Y187 VanDerWaalsContact O-N 3.11Å; C185-S188 WeakPolarHBondContact O-CB 3.5Å; C185-S188 PolarHBondContact O-N 3.11Å; C185-S188 VanDerWaalsContact O-N 3.16Å; C185-S188 PolarHBondContact O-OG 2.73Å; C185-C224 HydrophobicContact CB-CB 3.58Å; C185-C224 WeakPolarHBondContact CB-SG 3.18Å; C185-C224 WeakPolarHBondContact SG-CB 3.2Å; C185-C224 CovalentContact SG-SG 2.03Å; C185-C224 PolarHBondContact SG-SG 3.41Å; C185-A1184 PolarHBondContact SG-O 3.39Å
186P59.2Low60.7Low58 Ų5859.1 Ų59.138%0.37734%0.335SS..THydrogen-bonded Turntrans-65.4-16.7-17522.6-32.4000114.4I184 I227I184-P186 WeakPolarHBondContact O-CD 3.48Å; P186-I227 HydrophobicContact CG-CD1 3.93Å; P186-I227 HydrophobicContact CG-CG1 4.43Å
187Y55.7Low57.6Low46 Ų4664.7 Ų64.718%0.1838%0.375CS..THydrogen-bonded Turntrans-92.97.1179.1-50-62.3000114.3C185 N189 L190 I208 P219 C224C185-Y187 PolarHBondContact O-N 3.37Å; C185-Y187 VanDerWaalsContact O-N 3.11Å; Y187-N189 PolarHBondContact O-N 2.85Å; Y187-L190 HydrophobicContact CD1-CD1 3.87Å; Y187-L190 PolarHBondContact O-N 3Å; Y187-I208 HydrophobicContact CE2-CD1 3.88Å; Y187-I208 VanDerWaalsContact OH-CD1 3.25Å; Y187-I208 WeakPolarHBondContact OH-CD1 3.37Å; Y187-I208 WeakPolarHBondContact OH-CG1 3.42Å; Y187-P219 HydrophobicContact CD1-CB 4.34Å; Y187-P219 HydrophobicContact CD2-CB 3.93Å; Y187-P219 HydrophobicContact CE1-CB 3.72Å; Y187-P219 HydrophobicContact CE1-CG 3.85Å; Y187-P219 HydrophobicContact CE2-CB 3.21Å; Y187-P219 HydrophobicContact CE2-CG 4.16Å; Y187-P219 HydrophobicContact CG-CB 4.47Å; Y187-P219 VanDerWaalsContact OH-CB 3.31Å; Y187-P219 WeakPolarHBondContact OH-CB 3.22Å; Y187-P219 WeakPolarHBondContact OH-CG 3.49Å; Y187-C224 HydrophobicContact CD2-CB 4.32Å
188S47.5Very low54.5Low57 Ų5771.3 Ų71.340%0.39941%0.41SS..G310 helixtrans-53.4-36.6178.244.90000113.4C185C185-S188 WeakPolarHBondContact O-CB 3.5Å; C185-S188 PolarHBondContact O-N 3.11Å; C185-S188 VanDerWaalsContact O-N 3.16Å; C185-S188 PolarHBondContact O-OG 2.73Å
189N36.9Very low51.6Low145 Ų14575.3 Ų75.378%0.77545%0.451SS*.G310 helixtrans-80.8-12.1179.1-67.8-33.9000114.8Y187 R191Y187-N189 PolarHBondContact O-N 2.85Å; N189-R191 VanDerWaalsContact C-N 3.26Å; N189-R191 PolarHBondContact O-N 3.34Å
190L37.6Very low48.4Very low65 Ų6582.8 Ų82.834%0.3449%0.486SS..G310 helixtrans-81.51.7-171.5-110.6156.3000114.4Y187 V192Y187-L190 HydrophobicContact CD1-CD1 3.87Å; Y187-L190 PolarHBondContact O-N 3Å; L190-V192 PolarHBondContact O-N 2.75Å
191R34.8Very low45.3Very low188 Ų18891.4 Ų91.471%0.70952%0.523SS*.THydrogen-bonded Turntrans-76.321.6-175.3-151.9-176.6-72.8-155.9-0.6114.8N189N189-R191 VanDerWaalsContact C-N 3.26Å; N189-R191 PolarHBondContact O-N 3.34Å
192V34.7Very low42.6Very low120 Ų12097.6 Ų97.673%0.72755%0.55SS**THydrogen-bonded Turntrans-120.6-11.1-174.3-174.20000113L190L190-V192 PolarHBondContact O-N 2.75Å
193L29.5Very low39.9Very low117 Ų117103.7 Ų103.761%0.61358%0.583SS**  trans-109.748.7-172.8-68.2175000114.2F202L193-F202 HydrophobicContact CD1-CE1 4.48Å; L193-F202 HydrophobicContact CD1-CE2 3.88Å; L193-F202 HydrophobicContact CD1-CZ 3.76Å
194S29.2Very low38Very low88 Ų88111.5 Ų111.562%0.61562%0.619SS**SBendtrans-132.435.5174.273.70000114.7
195S30.6Very low36.5Very low124 Ų124111.5 Ų111.587%0.86762%0.622SS**SBendtrans-156.174155.6-1640000111.5
196S27.3Very low35.2Very low107 Ų107113.5 Ų113.575%0.74865%0.645SS**  trans-148.4109.8162.9-163.20000109.9N198S196-N198 PolarHBondContact O-N 2.64Å
197S29.7Very low34.6Very low120 Ų120113.6 Ų113.684%0.83965%0.645SS**  trans-79.763.5-178.646.20000111.8
198N28.8Very low34.4Very low139 Ų139112.8 Ų112.874%0.74364%0.644SS**SBendtrans-153.196174.5-101.2-40.6000115.2S196 Q200S196-N198 PolarHBondContact O-N 2.64Å; N198-Q200 VanDerWaalsContact C-N 3.31Å; N198-Q200 PolarHBondContact O-N 3.1Å
199G30.5Very low34.3Very low85 Ų85115.3 Ų115.388%0.87665%0.647SS**  66.8-13.8128.900000122
200Q26.9Very low34.9Very low157 Ų157109.8 Ų109.873%0.73462%0.616SS**  trans-87119.4-178.5-77.4-167.6-31.800113N198 F202N198-Q200 VanDerWaalsContact C-N 3.31Å; N198-Q200 PolarHBondContact O-N 3.1Å; Q200-F202 PolarHBondContact O-N 2.97Å
201K28.6Very low35.4Very low187 Ų187110.2 Ų110.281%0.81362%0.622SS**  trans-71.1103.4168.1-68.2-179.1177.8-179.80109.9N203K201-N203 PolarHBondContact O-N 3.31Å; K201-N203 VanDerWaalsContact O-N 3.11Å
202F32.2Very low35.9Very low132 Ų132105.9 Ų105.958%0.57961%0.606SS**  trans-74.994.7168-106.3-89.1000110.1L193 Q200 E204L193-F202 HydrophobicContact CD1-CE1 4.48Å; L193-F202 HydrophobicContact CD1-CE2 3.88Å; L193-F202 HydrophobicContact CD1-CZ 3.76Å; Q200-F202 PolarHBondContact O-N 2.97Å; F202-E204 VanDerWaalsContact C-N 3.32Å; F202-E204 PolarHBondContact O-N 2.96Å
203N26.5Very low36.5Very low145 Ų145103.5 Ų103.578%0.77559%0.589SS**  trans-9225.5179.4-89.623.3000113.1K201K201-N203 PolarHBondContact O-N 3.31Å; K201-N203 VanDerWaalsContact O-N 3.11Å
204E34.6Very low37.5Very low175 Ų175102.7 Ų102.782%0.81859%0.586SS**  trans-12836.8-171.2-65.3-165.2149.100114.9F202F202-E204 VanDerWaalsContact C-N 3.32Å; F202-E204 PolarHBondContact O-N 2.96Å
205T37.9Very low38.4Very low77 Ų77104.2 Ų104.247%0.47258%0.578SS.*  trans-100.878.8158.9420000110.5P219T205-P219 HydrophobicContact CG2-CG 4.36Å
206G41.7Very low39.3Very low52 Ų52102.4 Ų102.454%0.53656%0.557SS.*  trans-55.4137.5171.800000111.4
207P45.9Very low40.2Very low60 Ų6099.2 Ų99.239%0.3953%0.532SS..  trans-69.2135.9-178.927.2-33.7000111.6K209 I216P207-K209 PolarHBondContact O-N 3.08Å; P207-I216 HydrophobicContact CB-CB 4.13Å; P207-I216 HydrophobicContact CB-CG1 4.01Å; P207-I216 HydrophobicContact CB-CG2 3.41Å; P207-I216 VanDerWaalsContact CB-CG2 3.41Å; P207-I216 HydrophobicContact CG-CD1 4.33Å; P207-I216 HydrophobicContact CG-CG1 4.19Å; P207-I216 HydrophobicContact CG-CG2 4.17Å
208I51.1Low40.8Very low28 Ų2898.7 Ų98.714%0.14452%0.516CS..EExtended strand (participates in β ladder)trans-78.1113.7171-56.7162.4000107.5Y187 Y210 I217 I227Y187-I208 HydrophobicContact CE2-CD1 3.88Å; Y187-I208 VanDerWaalsContact OH-CD1 3.25Å; Y187-I208 WeakPolarHBondContact OH-CD1 3.37Å; Y187-I208 WeakPolarHBondContact OH-CG1 3.42Å; I208-Y210 HydrophobicContact CB-CE2 4.17Å; I208-Y210 HydrophobicContact CG2-CD2 3.88Å; I208-Y210 HydrophobicContact CG2-CE2 3.43Å; I208-Y210 VanDerWaalsContact CG2-CE2 3.43Å; I208-I217 PolarHBondContact N-O 2.83Å; I208-I217 PolarHBondContact O-N 3.03Å; I208-I227 HydrophobicContact CD1-CD1 3.94Å; I208-I227 HydrophobicContact CG1-CD1 4.26Å; I208-I227 HydrophobicContact CG2-CD1 4.08Å
209K46Very low41.5Very low110 Ų11093 Ų9348%0.47849%0.487SS..EExtended strand (participates in β ladder)trans-80.6124166.9-85.7-171.5160.2-155.80110.1P207 D214 I216P207-K209 PolarHBondContact O-N 3.08Å; K209-D214 WeakPolarHBondContact CD-OD1 3.49Å; K209-D214 WeakPolarHBondContact CE-OD1 3.44Å; K209-D214 IonicContact NZ-OD1 2.67Å; K209-D214 PolarHBondContact NZ-OD1 3.18Å; K209-D214 IonicContact NZ-OD2 3.62Å; K209-D214 PolarHBondContact NZ-OD2 3Å; K209-I216 HydrophobicContact CG-CG1 3.76Å
210Y49.1Very low42Very low30 Ų3090 Ų9012%0.11845%0.45CS..  trans-91.1138.5164.9-79.6-100.8000109.6I208 R212 R215 I217 I225 Q237I208-Y210 HydrophobicContact CB-CE2 4.17Å; I208-Y210 HydrophobicContact CG2-CD2 3.88Å; I208-Y210 HydrophobicContact CG2-CE2 3.43Å; I208-Y210 VanDerWaalsContact CG2-CE2 3.43Å; Y210-R212 PolarHBondContact O-N 3.39Å; Y210-R215 PolarHBondContact N-O 3.38Å; Y210-I217 HydrophobicContact CD2-CB 4.45Å; Y210-I217 HydrophobicContact CD2-CD1 3.58Å; Y210-I217 HydrophobicContact CD2-CG1 3.95Å; Y210-I217 HydrophobicContact CE2-CD1 3.78Å; Y210-I217 HydrophobicContact CE2-CG1 4.35Å; Y210-I217 HydrophobicContact CG-CD1 4.36Å; Y210-I225 WeakPolarHBondContact OH-CG2 3.38Å; Y210-Q237 HydrophobicContact CD1-CB 3.95Å; Y210-Q237 HydrophobicContact CE1-CB 3.84Å
211P49Very low42.7Very low73 Ų7385.2 Ų85.247%0.47443%0.431SS..SBendtrans-72.76.1-172.528.7-35.7000114.7
212R44.5Very low43.5Very low97 Ų9778.7 Ų78.737%0.36642%0.418SS..SBendtrans-107.2127.8171.4-142.9178.7-156.2151.612.8108.6Y210 D214 Q238Y210-R212 PolarHBondContact O-N 3.39Å; R212-D214 PolarHBondContact O-N 2.84Å; R212-D214 VanDerWaalsContact O-N 3.14Å; R212-Q238 VanDerWaalsContact CZ-OE1 3.23Å
213N48Very low44.3Very low70 Ų7073.3 Ų73.337%0.37440%0.396SS..THydrogen-bonded Turntrans5818.3-178.6-49.7-37.1000115.5R215 P1505N213-R215 PolarHBondContact O-N 2.81Å; N213-P1505 WeakPolarHBondContact OD1-CG 3.22Å
214D50Low46Very low101 Ų10166.5 Ų66.554%0.5436%0.36SS..THydrogen-bonded Turntrans49.326.6-178.6-15534.7000114.6K209 R212 I216K209-D214 WeakPolarHBondContact CD-OD1 3.49Å; K209-D214 WeakPolarHBondContact CE-OD1 3.44Å; K209-D214 IonicContact NZ-OD1 2.67Å; K209-D214 PolarHBondContact NZ-OD1 3.18Å; K209-D214 IonicContact NZ-OD2 3.62Å; K209-D214 PolarHBondContact NZ-OD2 3Å; R212-D214 PolarHBondContact O-N 2.84Å; R212-D214 VanDerWaalsContact O-N 3.14Å; D214-I216 PolarHBondContact O-N 3.27Å; D214-I216 VanDerWaalsContact O-N 3.07Å
215R47.4Very low47.7Very low120 Ų12058.9 Ų58.945%0.45333%0.325SS..  trans-68.2109.9-170.7-104.9-179.3169.2-172.5-9.5110.8Y210 N213 I217 D1318Y210-R215 PolarHBondContact N-O 3.38Å; N213-R215 PolarHBondContact O-N 2.81Å; R215-I217 PolarHBondContact O-N 2.81Å; R215-D1318 IonicContact CZ-OD1 3.43Å; R215-D1318 PolarHBondContact NH1-O 3.01Å; R215-D1318 IonicContact NH1-OD1 3.47Å; R215-D1318 PolarHBondContact NH1-OD1 3.19Å
216I49.9Very low49.3Very low85 Ų8555.4 Ų55.444%0.43630%0.303SS..EExtended strand (participates in β ladder)trans-66103.3162.9-83.4168.5000108.4P207 K209 D214 H218P207-I216 HydrophobicContact CB-CB 4.13Å; P207-I216 HydrophobicContact CB-CG1 4.01Å; P207-I216 HydrophobicContact CB-CG2 3.41Å; P207-I216 VanDerWaalsContact CB-CG2 3.41Å; P207-I216 HydrophobicContact CG-CD1 4.33Å; P207-I216 HydrophobicContact CG-CG1 4.19Å; P207-I216 HydrophobicContact CG-CG2 4.17Å; K209-I216 HydrophobicContact CG-CG1 3.76Å; D214-I216 PolarHBondContact O-N 3.27Å; D214-I216 VanDerWaalsContact O-N 3.07Å; I216-H218 WeakPolarHBondContact CG2-NE2 3.22Å
217I46.2Very low50.9Low41 Ų4153.8 Ų53.821%0.2128%0.282CS..EExtended strand (participates in β ladder)trans-91.6110.3168-56.3-170.4000107.3I208 Y210 R215 I225 I1317I208-I217 PolarHBondContact N-O 2.83Å; I208-I217 PolarHBondContact O-N 3.03Å; Y210-I217 HydrophobicContact CD2-CB 4.45Å; Y210-I217 HydrophobicContact CD2-CD1 3.58Å; Y210-I217 HydrophobicContact CD2-CG1 3.95Å; Y210-I217 HydrophobicContact CE2-CD1 3.78Å; Y210-I217 HydrophobicContact CE2-CG1 4.35Å; Y210-I217 HydrophobicContact CG-CD1 4.36Å; R215-I217 PolarHBondContact O-N 2.81Å; I217-I225 HydrophobicContact CD1-CD1 3.76Å; I217-I225 HydrophobicContact CG2-CD1 4.06Å; I217-I1317 HydrophobicContact CD1-CG2 4.33Å
218H42.3Very low52.8Low108 Ų10851 Ų5150%0.526%0.264SS..  trans-71.5123.8169.5-75.9-78000109.4I216I216-H218 WeakPolarHBondContact CG2-NE2 3.22Å
219P43.4Very low54.4Low21 Ų2151.6 Ų51.614%0.13627%0.266CS..  trans-73.9135-17730.8-36.7000111.7Y187 T205Y187-P219 HydrophobicContact CD1-CB 4.34Å; Y187-P219 HydrophobicContact CD2-CB 3.93Å; Y187-P219 HydrophobicContact CE1-CB 3.72Å; Y187-P219 HydrophobicContact CE1-CG 3.85Å; Y187-P219 HydrophobicContact CE2-CB 3.21Å; Y187-P219 HydrophobicContact CE2-CG 4.16Å; Y187-P219 HydrophobicContact CG-CB 4.47Å; Y187-P219 VanDerWaalsContact OH-CB 3.31Å; Y187-P219 WeakPolarHBondContact OH-CB 3.22Å; Y187-P219 WeakPolarHBondContact OH-CG 3.49Å; T205-P219 HydrophobicContact CG2-CG 4.36Å
220I41.6Very low56.4Low22 Ų2246.4 Ų46.411%0.11324%0.244CC..BIsolated β-bridgetrans-106.1128.4-177.1-51.5161.9000108.7G222 S223 F1323I220-G222 PolarHBondContact O-N 3.44Å; I220-G222 VanDerWaalsContact O-N 3.15Å; I220-S223 PolarHBondContact O-N 3.31Å; I220-S223 VanDerWaalsContact O-N 3.12Å; I220-S223 VanDerWaalsContact O-O 3.1Å; I220-F1323 HydrophobicContact CD1-CB 4.09Å; I220-F1323 VanDerWaalsContact CD1-O 3.26Å; I220-F1323 WeakPolarHBondContact CD1-O 3.45Å; I220-F1323 WeakPolarHBondContact CG1-O 3.15Å
221V41.3Very low58.1Low55 Ų5545 Ų4533%0.33324%0.238SC..THydrogen-bonded Turntrans-59.5119.9174.51790000109I1325 V1328V221-I1325 HydrophobicContact CG2-CD1 4.28Å; V221-V1328 HydrophobicContact CB-CG2 4.1Å; V221-V1328 HydrophobicContact CG1-CG1 4.07Å; V221-V1328 WeakPolarHBondContact O-CG2 3.05Å
222G45.6Very low59.7Low51 Ų5147.4 Ų47.453%0.52624%0.243SC..THydrogen-bonded Turntrans105.1-18.4-178.100000115.6I220I220-G222 PolarHBondContact O-N 3.44Å; I220-G222 VanDerWaalsContact O-N 3.15Å
223S49.2Very low61.7Low18 Ų1846 Ų4613%0.12624%0.243CC..BIsolated β-bridgetrans-131.3110.317461.70000111.1I220I220-S223 PolarHBondContact O-N 3.31Å; I220-S223 VanDerWaalsContact O-N 3.12Å; I220-S223 VanDerWaalsContact O-O 3.1Å
224C61.3Low63.6Low3 Ų343.2 Ų43.22%0.0223%0.227CC..PPolyproline II helixtrans-102.7143.6175.666.90000111.2C185 Y187 A1184 N1187C185-C224 HydrophobicContact CB-CB 3.58Å; C185-C224 WeakPolarHBondContact CB-SG 3.18Å; C185-C224 WeakPolarHBondContact SG-CB 3.2Å; C185-C224 CovalentContact SG-SG 2.03Å; C185-C224 PolarHBondContact SG-SG 3.41Å; Y187-C224 HydrophobicContact CD2-CB 4.32Å; C224-A1184 PolarHBondContact SG-O 2.96Å; C224-A1184 VanDerWaalsContact SG-O 3.35Å; C224-N1187 PolarHBondContact SG-ND2 3.36Å; C224-N1187 VanDerWaalsContact SG-ND2 3.36Å; C224-N1187 PolarHBondContact SG-OD1 2.88Å
225I69.6Low65.2Low15 Ų1546.3 Ų46.38%0.07724%0.239CC..PPolyproline II helixtrans-96.7119.9162.8-53.1170.6000106Y210 I217 I227 I1317Y210-I225 WeakPolarHBondContact OH-CG2 3.38Å; I217-I225 HydrophobicContact CD1-CD1 3.76Å; I217-I225 HydrophobicContact CG2-CD1 4.06Å; I225-I227 PolarHBondContact O-N 3.03Å; I225-I1317 HydrophobicContact CD1-CG2 3.85Å; I225-I1317 HydrophobicContact CG2-CD1 3.99Å
226P73.3Confident67Low3 Ų342.5 Ų42.52%0.01923%0.227CC..PPolyproline II helixtrans-60.3118.6177.2-25.932.1000113P183 R239 A1184 E1185P183-P226 HydrophobicContact CB-CB 3.86Å; P226-R239 PolarHBondContact O-NH2 3.28Å; P226-A1184 HydrophobicContact CB-CB 3.67Å; P226-A1184 HydrophobicContact CG-CB 3.43Å; P226-A1184 VanDerWaalsContact CG-CB 3.43Å; P226-E1185 HydrophobicContact CG-CG 3.91Å
227I75.2Confident68.6Low19 Ų1939.5 Ų39.510%0.09721%0.211CC..EExtended strand (participates in β ladder)trans-87.9146.9169.7-56.6-173.9000107.6P183 I184 P186 I208 I225 E232P183-I227 CarbonylContact C-O 3.48Å; P183-I227 WeakPolarHBondContact CA-O 3.36Å; I184-I227 PolarHBondContact N-O 3.41Å; I184-I227 PolarHBondContact O-N 3.36Å; P186-I227 HydrophobicContact CG-CD1 3.93Å; P186-I227 HydrophobicContact CG-CG1 4.43Å; I208-I227 HydrophobicContact CD1-CD1 3.94Å; I208-I227 HydrophobicContact CG1-CD1 4.26Å; I208-I227 HydrophobicContact CG2-CD1 4.08Å; I225-I227 PolarHBondContact O-N 3.03Å; I227-E232 HydrophobicContact CG2-CG 3.85Å
228S84.8Confident70.5Confident0 Ų039 Ų390%021%0.208CC..EExtended strand (participates in β ladder)trans-107.8131.7176.538.50000112.1I181 L230 G231 E232 Q237 R239 L242I181-S228 WeakPolarHBondContact O-CA 3.43Å; I181-S228 WeakPolarHBondContact O-CB 3.5Å; S228-L230 VanDerWaalsContact C-N 3.33Å; S228-L230 PolarHBondContact O-N 3.47Å; S228-G231 CarbonylContact O-C 3.39Å; S228-G231 WeakPolarHBondContact O-CA 3.43Å; S228-G231 PolarHBondContact O-N 3.37Å; S228-E232 PolarHBondContact O-N 3.37Å; S228-Q237 PolarHBondContact O-NE2 2.9Å; S228-Q237 PolarHBondContact OG-OE1 3.36Å; S228-R239 PolarHBondContact OG-NH1 3.31Å; S228-L242 WeakPolarHBondContact OG-CD2 2.99Å
229E84.6Confident72.7Confident42 Ų4234 Ų3420%0.19619%0.185CC..Hα-helixtrans-52.5-50170.8-177.6-169152.900110.8N182 G231 E232 D233N182-E229 HydrophobicContact CB-CB 4.15Å; N182-E229 PolarHBondContact ND2-OE2 3.42Å; N182-E229 PolarHBondContact O-N 3.49Å; E229-G231 PolarHBondContact O-N 3.15Å; E229-E232 PolarHBondContact O-N 2.78Å; E229-D233 PolarHBondContact O-N 2.77Å
230L87.6Confident74.9Confident1 Ų133.8 Ų33.81%0.00518%0.183CC..Hα-helixtrans-57.1-32.6174.9-172.769.2000112.6I181 S228 F234 L242 W358I181-L230 HydrophobicContact CG1-CD2 4.11Å; S228-L230 VanDerWaalsContact C-N 3.33Å; S228-L230 PolarHBondContact O-N 3.47Å; L230-F234 HydrophobicContact CD1-CD2 4.19Å; L230-F234 HydrophobicContact CD1-CE2 3.66Å; L230-F234 HydrophobicContact CG-CD2 4.21Å; L230-F234 HydrophobicContact CG-CE2 4.1Å; L230-F234 WeakPolarHBondContact O-CD2 3.31Å; L230-F234 PolarHBondContact O-N 3.19Å; L230-L242 HydrophobicContact CD2-CD1 4.17Å; L230-L242 HydrophobicContact CD2-CG 4.28Å; L230-L242 HydrophobicContact CG-CD1 4.16Å; L230-W358 HydrophobicContact CD1-CD2 3.38Å; L230-W358 HydrophobicContact CD1-CE3 3.51Å; L230-W358 HydrophobicContact CD1-CG 3.93Å; L230-W358 HydrophobicContact CD1-CH2 3.9Å; L230-W358 HydrophobicContact CD1-CZ2 3.78Å; L230-W358 HydrophobicContact CD1-CZ3 3.78Å
231G84.6Confident77.4Confident0 Ų035.4 Ų35.40%019%0.192CC..Hα-helixtrans-81.4-24.7177.400000113.9S228 E229 Q235 I236 Q237S228-G231 CarbonylContact O-C 3.39Å; S228-G231 WeakPolarHBondContact O-CA 3.43Å; S228-G231 PolarHBondContact O-N 3.37Å; E229-G231 PolarHBondContact O-N 3.15Å; G231-Q235 CarbonylContact O-C 3.55Å; G231-Q235 WeakPolarHBondContact O-CA 3.49Å; G231-Q235 PolarHBondContact O-N 3.21Å; G231-I236 WeakPolarHBondContact CA-O 3.45Å; G231-I236 CarbonylContact O-C 3.35Å; G231-I236 PolarHBondContact O-N 2.03Å; G231-Q237 PolarHBondContact O-NE2 3.2Å
232E83.8Confident79.8Confident124 Ų12432.8 Ų32.858%0.57918%0.176SC*.Hα-helixtrans-74.1-44.3172.5-67.2-172.2140.300109.8I227 S228 E229 F234 Q235 Q237I227-E232 HydrophobicContact CG2-CG 3.85Å; S228-E232 PolarHBondContact O-N 3.37Å; E229-E232 PolarHBondContact O-N 2.78Å; E232-F234 VanDerWaalsContact C-N 3.25Å; E232-F234 PolarHBondContact O-N 2.85Å; E232-Q235 PolarHBondContact O-N 3.26Å; E232-Q237 VanDerWaalsContact N-NE2 3.12Å
233D85.5Confident82.1Confident66 Ų6630.3 Ų30.335%0.35315%0.151SC..Hα-helixtrans-57.7-33.1174.8-107.2-39.1000113.6E229 W358 R359E229-D233 PolarHBondContact O-N 2.77Å; D233-W358 HydrophobicContact CB-CZ2 4.04Å; D233-W358 WeakPolarHBondContact OD2-CZ2 3.4Å; D233-W358 PolarHBondContact OD2-NE1 3.26Å; D233-R359 IonicContact OD1-CZ 2.68Å; D233-R359 IonicContact OD1-NH1 3.57Å; D233-R359 PolarHBondContact OD1-NH1 3.2Å; D233-R359 IonicContact OD1-NH2 2.89Å; D233-R359 PolarHBondContact OD1-NH2 3.35Å; D233-R359 IonicContact OD2-CZ 2.65Å; D233-R359 IonicContact OD2-NH1 3.52Å; D233-R359 PolarHBondContact OD2-NH1 3.27Å; D233-R359 IonicContact OD2-NH2 2.81Å
234F88.5Confident84.3Confident12 Ų1231.3 Ų31.35%0.05316%0.156CC..THydrogen-bonded Turntrans-101.76.9175.3-64.4-47.6000114.2L230 E232 I236 V290 I293 F296 W358L230-F234 HydrophobicContact CD1-CD2 4.19Å; L230-F234 HydrophobicContact CD1-CE2 3.66Å; L230-F234 HydrophobicContact CG-CD2 4.21Å; L230-F234 HydrophobicContact CG-CE2 4.1Å; L230-F234 WeakPolarHBondContact O-CD2 3.31Å; L230-F234 PolarHBondContact O-N 3.19Å; E232-F234 VanDerWaalsContact C-N 3.25Å; E232-F234 PolarHBondContact O-N 2.85Å; F234-I236 WeakPolarHBondContact O-CG1 3.5Å; F234-I236 PolarHBondContact O-N 3.35Å; F234-I236 VanDerWaalsContact O-N 3.14Å; F234-V290 HydrophobicContact CE1-CG1 4.29Å; F234-I293 HydrophobicContact CB-CB 4.36Å; F234-I293 HydrophobicContact CD2-CD1 3.8Å; F234-I293 HydrophobicContact CE2-CD1 4.08Å; F234-I293 HydrophobicContact CG-CB 4.38Å; F234-I293 HydrophobicContact CG-CD1 4.5Å; F234-F296 HydrophobicContact CE1-CB 4.48Å; F234-F296 HydrophobicContact CE2-CB 4.12Å; F234-F296 HydrophobicContact CE2-CD1 4.08Å; F234-F296 HydrophobicContact CE2-CD2 4.22Å; F234-F296 AromaticContact CE2-CG 3.88Å; F234-F296 HydrophobicContact CE2-CG 3.88Å; F234-F296 HydrophobicContact CZ-CB 3.76Å; F234-F296 HydrophobicContact CZ-CD1 4.43Å; F234-F296 AromaticContact CZ-CD2 3.87Å; F234-F296 HydrophobicContact CZ-CD2 3.87Å; F234-F296 AromaticContact CZ-CG 3.77Å; F234-F296 HydrophobicContact CZ-CG 3.77Å; F234-W358 HydrophobicContact CE1-CH2 4.37Å; F234-W358 HydrophobicContact CE2-CH2 4.12Å; F234-W358 HydrophobicContact CE2-CZ2 4.48Å; F234-W358 AromaticContact CZ-CH2 3.66Å; F234-W358 HydrophobicContact CZ-CH2 3.66Å; F234-W358 HydrophobicContact CZ-CZ2 4.26Å; F234-W358 HydrophobicContact CZ-CZ3 4.41Å
235Q84.3Confident85.9Confident166 Ų16631.1 Ų31.178%0.77616%0.155SC*.THydrogen-bonded Turntrans54.923.3-177.5-55.4-173-5.800115.6G231 E232G231-Q235 CarbonylContact O-C 3.55Å; G231-Q235 WeakPolarHBondContact O-CA 3.49Å; G231-Q235 PolarHBondContact O-N 3.21Å; E232-Q235 PolarHBondContact O-N 3.26Å
236I85Confident87.1Confident40 Ų4030.4 Ų30.421%0.20515%0.151CC..  trans-132.1114.5-174.9-67.5166000110.5G231 F234 Q238 I241 I293G231-I236 WeakPolarHBondContact CA-O 3.45Å; G231-I236 CarbonylContact O-C 3.35Å; G231-I236 PolarHBondContact O-N 2.03Å; F234-I236 WeakPolarHBondContact O-CG1 3.5Å; F234-I236 PolarHBondContact O-N 3.35Å; F234-I236 VanDerWaalsContact O-N 3.14Å; I236-Q238 HydrophobicContact CG2-CB 4.41Å; I236-I241 HydrophobicContact CG2-CB 4.15Å; I236-I241 HydrophobicContact CG2-CD1 4.02Å; I236-I241 HydrophobicContact CG2-CG2 4.24Å; I236-I293 HydrophobicContact CD1-CB 4.22Å; I236-I293 HydrophobicContact CD1-CG2 3.47Å; I236-I293 VanDerWaalsContact CD1-CG2 3.47Å
237Q84Confident88.1Confident23 Ų2330.3 Ų30.311%0.10715%0.15CC..  trans-101.80.2179-63.8-63.3-2500114.5Y210 S228 G231 E232 R239Y210-Q237 HydrophobicContact CD1-CB 3.95Å; Y210-Q237 HydrophobicContact CE1-CB 3.84Å; S228-Q237 PolarHBondContact O-NE2 2.9Å; S228-Q237 PolarHBondContact OG-OE1 3.36Å; G231-Q237 PolarHBondContact O-NE2 3.2Å; E232-Q237 VanDerWaalsContact N-NE2 3.12Å; Q237-R239 PolarHBondContact O-N 3.47Å
238Q85.4Confident89.1Confident31 Ų3131.5 Ų31.515%0.14516%0.157CC..  trans-69123176.8-64-179.137.500110.4R212 I236 I241 L242R212-Q238 VanDerWaalsContact CZ-OE1 3.23Å; I236-Q238 HydrophobicContact CG2-CB 4.41Å; Q238-I241 HydrophobicContact CB-CD1 4.15Å; Q238-I241 HydrophobicContact CB-CG1 4.14Å; Q238-I241 PolarHBondContact O-N 3.07Å; Q238-L242 PolarHBondContact O-N 2.89Å; Q238-L242 VanDerWaalsContact O-N 3.08Å
239R87.5Confident89.6Confident3 Ų331.5 Ų31.51%0.01116%0.157CC..Hα-helixtrans-72-33.6-177.1-78-64.1-170.2-98.61.6113.1P226 S228 Q237 I241 L242 L243 D1181 D1314P226-R239 PolarHBondContact O-NH2 3.28Å; S228-R239 PolarHBondContact OG-NH1 3.31Å; Q237-R239 PolarHBondContact O-N 3.47Å; R239-I241 VanDerWaalsContact C-N 3.27Å; R239-I241 PolarHBondContact O-N 3.44Å; R239-L242 PolarHBondContact O-N 3.49Å; R239-L243 HydrophobicContact CB-CD1 4.22Å; R239-L243 VanDerWaalsContact O-CB 3.24Å; R239-L243 WeakPolarHBondContact O-CB 3.44Å; R239-L243 WeakPolarHBondContact O-CD1 3.43Å; R239-L243 WeakPolarHBondContact O-CG 3.29Å; R239-L243 PolarHBondContact O-N 2.91Å; R239-D1181 VanDerWaalsContact CD-OD2 3.29Å; R239-D1181 WeakPolarHBondContact CD-OD2 3.45Å; R239-D1181 IonicContact CZ-OD1 3.31Å; R239-D1181 IonicContact CZ-OD2 3.73Å; R239-D1181 VanDerWaalsContact NE-CG 3.32Å; R239-D1181 IonicContact NE-OD1 3.36Å; R239-D1181 PolarHBondContact NE-OD1 3.05Å; R239-D1181 VanDerWaalsContact NE-OD1 3.08Å; R239-D1181 IonicContact NE-OD2 3.39Å; R239-D1181 PolarHBondContact NE-OD2 3.35Å; R239-D1181 IonicContact NH2-OD1 3.86Å; R239-D1181 PolarHBondContact NH2-OD1 2.87Å; R239-D1181 IonicContact NH2-OD2 2.66Å; R239-D1314 PolarHBondContact N-OD1 2.88Å; R239-D1314 PolarHBondContact N-OD2 3.23Å
240S91.4Very high90.1Very high15 Ų1529.5 Ų29.511%0.10515%0.147CC..Hα-helixtrans-46.9-50.2169.843.30000112.5T244 D1314S240-T244 PolarHBondContact O-OG1 2.84Å; S240-D1314 VanDerWaalsContact CB-OD2 3.28Å; S240-D1314 WeakPolarHBondContact CB-OD2 3.41Å; S240-D1314 PolarHBondContact N-OD2 3.18Å; S240-D1314 PolarHBondContact OG-OD2 3.17Å
241I92.5Very high90.4Very high56 Ų5629.5 Ų29.529%0.28715%0.147SC..Hα-helixtrans-71-50.2178.5-52.9179.4000110.6I236 Q238 R239 L243 T244 P245 I293I236-I241 HydrophobicContact CG2-CB 4.15Å; I236-I241 HydrophobicContact CG2-CD1 4.02Å; I236-I241 HydrophobicContact CG2-CG2 4.24Å; Q238-I241 HydrophobicContact CB-CD1 4.15Å; Q238-I241 HydrophobicContact CB-CG1 4.14Å; Q238-I241 PolarHBondContact O-N 3.07Å; R239-I241 VanDerWaalsContact C-N 3.27Å; R239-I241 PolarHBondContact O-N 3.44Å; I241-L243 VanDerWaalsContact C-N 3.25Å; I241-L243 PolarHBondContact O-N 3.41Å; I241-T244 VanDerWaalsContact O-CB 3.23Å; I241-T244 WeakPolarHBondContact O-CB 3.32Å; I241-T244 PolarHBondContact O-N 2.92Å; I241-T244 PolarHBondContact O-OG1 2.62Å; I241-P245 WeakPolarHBondContact O-CD 3.16Å; I241-I293 HydrophobicContact CG2-CG1 3.91Å; I241-I293 HydrophobicContact CG2-CG2 4.28Å
242L92.6Very high90.9Very high0 Ų030.9 Ų30.90%016%0.155CC..Hα-helixtrans-67.8-22.8-172.8-15472.1000113.9Y177 I181 S228 L230 Q238 R239 I293Y177-L242 WeakPolarHBondContact CE1-O 3.01Å; Y177-L242 PolarHBondContact OH-O 2.98Å; I181-L242 HydrophobicContact CD1-CD2 4.46Å; I181-L242 HydrophobicContact CD1-CG 4.48Å; I181-L242 HydrophobicContact CG1-CD2 4.15Å; I181-L242 HydrophobicContact CG1-CG 4.32Å; I181-L242 HydrophobicContact CG2-CD2 3.84Å; S228-L242 WeakPolarHBondContact OG-CD2 2.99Å; L230-L242 HydrophobicContact CD2-CD1 4.17Å; L230-L242 HydrophobicContact CD2-CG 4.28Å; L230-L242 HydrophobicContact CG-CD1 4.16Å; Q238-L242 PolarHBondContact O-N 2.89Å; Q238-L242 VanDerWaalsContact O-N 3.08Å; R239-L242 PolarHBondContact O-N 3.49Å; L242-I293 HydrophobicContact CD1-CD1 4.11Å
243L94.2Very high91.3Very high0 Ų025.2 Ų25.20%013%0.128CC..THydrogen-bonded Turntrans-82.8-14.7171.4-67.4167.7000113.5I181 R239 I241 G246 G247 L1177 M1178 P1306I181-L243 HydrophobicContact CD1-CD2 3.7Å; I181-L243 HydrophobicContact CD1-CG 4.42Å; R239-L243 HydrophobicContact CB-CD1 4.22Å; R239-L243 VanDerWaalsContact O-CB 3.24Å; R239-L243 WeakPolarHBondContact O-CB 3.44Å; R239-L243 WeakPolarHBondContact O-CD1 3.43Å; R239-L243 WeakPolarHBondContact O-CG 3.29Å; R239-L243 PolarHBondContact O-N 2.91Å; I241-L243 VanDerWaalsContact C-N 3.25Å; I241-L243 PolarHBondContact O-N 3.41Å; L243-G246 CarbonylContact O-C 3.54Å; L243-G246 PolarHBondContact O-N 3.42Å; L243-G246 VanDerWaalsContact O-N 3.09Å; L243-G247 PolarHBondContact O-N 3.43Å; L243-L1177 HydrophobicContact CD2-CB 3.97Å; L243-L1177 HydrophobicContact CD2-CD2 4.26Å; L243-M1178 HydrophobicContact CD1-CE 3.59Å; L243-M1178 HydrophobicContact CD1-SD 3.78Å; L243-M1178 HydrophobicContact CD2-CE 3.88Å; L243-M1178 HydrophobicContact CG-CE 4.22Å; L243-P1306 HydrophobicContact CB-CB 4.26Å; L243-P1306 WeakPolarHBondContact CD1-O 3.47Å
244T95.3Very high91.7Very high38 Ų3822.1 Ų22.123%0.23311%0.112CC..Hα-helixtrans-60.5-44.4-175.9-63.90000113.2S240 I241 G246 G247 L248 T297S240-T244 PolarHBondContact O-OG1 2.84Å; I241-T244 VanDerWaalsContact O-CB 3.23Å; I241-T244 WeakPolarHBondContact O-CB 3.32Å; I241-T244 PolarHBondContact O-N 2.92Å; I241-T244 PolarHBondContact O-OG1 2.62Å; T244-G246 VanDerWaalsContact C-N 3.26Å; T244-G246 PolarHBondContact O-N 3.23Å; T244-G247 PolarHBondContact O-N 3.13Å; T244-L248 HydrophobicContact CG2-CD1 4.4Å; T244-L248 WeakPolarHBondContact O-CB 3.28Å; T244-L248 PolarHBondContact O-N 3.4Å; T244-T297 HydrophobicContact CG2-CG2 3.96Å
245P95.2Very high91.8Very high0 Ų025.1 Ų25.10%013%0.125CC..Hα-helixtrans-57.5-39173.1-2129.9000112.8Y177 I241 I249 I293 F296 F300Y177-P245 HydrophobicContact CE2-CB 4.22Å; Y177-P245 WeakPolarHBondContact OH-CG 3.33Å; I241-P245 WeakPolarHBondContact O-CD 3.16Å; P245-I249 WeakPolarHBondContact O-CB 3.33Å; P245-I249 VanDerWaalsContact O-CG2 3.27Å; P245-I249 WeakPolarHBondContact O-CG2 3.49Å; P245-I249 PolarHBondContact O-N 2.94Å; P245-I293 HydrophobicContact CG-CD1 4.31Å; P245-F296 HydrophobicContact CB-CD1 4.05Å; P245-F296 HydrophobicContact CB-CE1 3.91Å; P245-F296 HydrophobicContact CG-CD1 3.69Å; P245-F296 HydrophobicContact CG-CE1 3.91Å; P245-F300 HydrophobicContact CB-CD1 3.91Å
246G93.3Very high92.1Very high0 Ų018.7 Ų18.70%010%0.095CC..Hα-helixtrans-74.1-33.5179.700000115L243 T244 I249 V250L243-G246 CarbonylContact O-C 3.54Å; L243-G246 PolarHBondContact O-N 3.42Å; L243-G246 VanDerWaalsContact O-N 3.09Å; T244-G246 VanDerWaalsContact C-N 3.26Å; T244-G246 PolarHBondContact O-N 3.23Å; G246-I249 WeakPolarHBondContact O-CG2 3.41Å; G246-V250 VanDerWaalsContact O-CG2 3.27Å; G246-V250 WeakPolarHBondContact O-CG2 3.23Å
247G94.7Very high92.2Very high0 Ų016.8 Ų16.80%09%0.086CC..Hα-helixtrans-71.6-45.9168.900000111.3L243 T244 I249 V250 G251 A1303L243-G247 PolarHBondContact O-N 3.43Å; T244-G247 PolarHBondContact O-N 3.13Å; G247-I249 PolarHBondContact O-N 2.88Å; G247-V250 PolarHBondContact O-N 3Å; G247-G251 PolarHBondContact O-N 3.26Å; G247-A1303 WeakPolarHBondContact O-CA 3.16Å
248L96Very high92.3Very high44 Ų4416.4 Ų16.423%0.239%0.086CC..Hα-helixtrans-70.8-32.7-172.2-165.1146.9000112.7T244 L252 T297 L302T244-L248 HydrophobicContact CG2-CD1 4.4Å; T244-L248 WeakPolarHBondContact O-CB 3.28Å; T244-L248 PolarHBondContact O-N 3.4Å; L248-L252 HydrophobicContact CD2-CD1 3.46Å; L248-L252 VanDerWaalsContact CD2-CD1 3.46Å; L248-L252 HydrophobicContact CD2-CG 4.25Å; L248-L252 HydrophobicContact CG-CD1 4.22Å; L248-L252 WeakPolarHBondContact O-CB 3.24Å; L248-L252 WeakPolarHBondContact O-CG 3.37Å; L248-L252 PolarHBondContact O-N 3.12Å; L248-T297 HydrophobicContact CD1-CG2 4.34Å; L248-L302 HydrophobicContact CD2-CB 4.05Å; L248-L302 VanDerWaalsContact CD2-N 3.28Å
249I95.8Very high92.4Very high0 Ų018.1 Ų18.10%010%0.095CC..Hα-helixtrans-64.5-45.2170.8-165.4174.1000111.9P245 G246 G247 Y253 F300 L308P245-I249 WeakPolarHBondContact O-CB 3.33Å; P245-I249 VanDerWaalsContact O-CG2 3.27Å; P245-I249 WeakPolarHBondContact O-CG2 3.49Å; P245-I249 PolarHBondContact O-N 2.94Å; G246-I249 WeakPolarHBondContact O-CG2 3.41Å; G247-I249 PolarHBondContact O-N 2.88Å; I249-Y253 PolarHBondContact O-N 3.45Å; I249-F300 HydrophobicContact CB-CE1 4.38Å; I249-F300 HydrophobicContact CD1-CD1 4.11Å; I249-F300 HydrophobicContact CD1-CE1 3.68Å; I249-F300 HydrophobicContact CD1-CE2 4.47Å; I249-F300 HydrophobicContact CD1-CZ 3.87Å; I249-F300 WeakPolarHBondContact CD1-O 3.39Å; I249-F300 HydrophobicContact CG2-CE1 4.04Å; I249-L308 HydrophobicContact CD1-CD1 3.63Å; I249-L308 HydrophobicContact CG1-CD1 3.74Å
250V94.5Very high92.5Very high0 Ų018 Ų180%010%0.095CC..Hα-helixtrans-65.8-45.3177-179.90000110.7C174 G246 G247 Y253 L254 V1173 A1302C174-V250 HydrophobicContact CB-CG2 3.8Å; G246-V250 VanDerWaalsContact O-CG2 3.27Å; G246-V250 WeakPolarHBondContact O-CG2 3.23Å; G247-V250 PolarHBondContact O-N 3Å; V250-Y253 HydrophobicContact CB-CE1 4.29Å; V250-Y253 HydrophobicContact CG1-CE1 3.96Å; V250-Y253 WeakPolarHBondContact O-CD1 3.44Å; V250-L254 HydrophobicContact CG1-CD1 4.45Å; V250-L254 WeakPolarHBondContact O-CG 3.37Å; V250-V1173 HydrophobicContact CB-CG1 4.46Å; V250-V1173 HydrophobicContact CG1-CG1 4.26Å; V250-V1173 HydrophobicContact CG1-CG2 3.89Å; V250-V1173 HydrophobicContact CG2-CG1 4.22Å; V250-A1302 HydrophobicContact CG1-CB 3.96Å
251G93.9Very high92.1Very high1 Ų117.3 Ų17.31%0.019%0.09CC..Hα-helixtrans-62.9-46.2-179.400000112.8G247 L254 F255 G1299G247-G251 PolarHBondContact O-N 3.26Å; G251-L254 PolarHBondContact O-N 2.95Å; G251-F255 VanDerWaalsContact O-CB 3.27Å; G251-F255 WeakPolarHBondContact O-CB 3.27Å; G251-F255 PolarHBondContact O-N 3.29Å; G251-G1299 CarbonylContact C-O 3.47Å; G251-G1299 WeakPolarHBondContact CA-O 3.33Å; G251-G1299 CarbonylContact O-C 3.51Å; G251-G1299 WeakPolarHBondContact O-CA 3.32Å
252L94.7Very high91.6Very high29 Ų2914.7 Ų14.715%0.1528%0.077CC..Hα-helixtrans-73.6-31.2-177.7-74.2176.6000114.4L248 L254 F255 L256 L302L248-L252 HydrophobicContact CD2-CD1 3.46Å; L248-L252 VanDerWaalsContact CD2-CD1 3.46Å; L248-L252 HydrophobicContact CD2-CG 4.25Å; L248-L252 HydrophobicContact CG-CD1 4.22Å; L248-L252 WeakPolarHBondContact O-CB 3.24Å; L248-L252 WeakPolarHBondContact O-CG 3.37Å; L248-L252 PolarHBondContact O-N 3.12Å; L252-L254 PolarHBondContact O-N 3.09Å; L252-F255 HydrophobicContact CD2-CB 4.18Å; L252-F255 HydrophobicContact CD2-CD1 4.1Å; L252-F255 HydrophobicContact CD2-CG 4.39Å; L252-F255 PolarHBondContact O-N 2.86Å; L252-L256 PolarHBondContact O-N 3.34Å; L252-L302 HydrophobicContact CD1-CB 4.33Å; L252-L302 HydrophobicContact CD1-CD1 3.52Å; L252-L302 HydrophobicContact CD1-CG 4.46Å
253Y93.4Very high91.3Very high6 Ų616.3 Ų16.32%0.0249%0.085CC..Hα-helixtrans-62.8-28.6176.291.5-118.5000111.7D171 C174 I249 V250 G305 S309 Y312D171-Y253 VanDerWaalsContact OD1-CZ 3.28Å; D171-Y253 PolarHBondContact OD1-OH 3.35Å; C174-Y253 HydrophobicContact CB-CE1 4.22Å; C174-Y253 VanDerWaalsContact SG-CD1 3.59Å; C174-Y253 VanDerWaalsContact SG-CE1 3.55Å; I249-Y253 PolarHBondContact O-N 3.45Å; V250-Y253 HydrophobicContact CB-CE1 4.29Å; V250-Y253 HydrophobicContact CG1-CE1 3.96Å; V250-Y253 WeakPolarHBondContact O-CD1 3.44Å; Y253-G305 WeakPolarHBondContact CA-O 3.33Å; Y253-G305 PolarHBondContact N-O 3.36Å; Y253-S309 WeakPolarHBondContact O-CA 3.45Å; Y253-S309 VanDerWaalsContact O-CB 3.31Å; Y253-S309 WeakPolarHBondContact O-CB 3.49Å; Y253-S309 PolarHBondContact O-OG 2.8Å; Y253-Y312 AromaticContact CD2-CD1 3.85Å; Y253-Y312 HydrophobicContact CD2-CD1 3.85Å; Y253-Y312 AromaticContact CD2-CD2 3.91Å; Y253-Y312 HydrophobicContact CD2-CD2 3.91Å; Y253-Y312 HydrophobicContact CD2-CE1 4.3Å; Y253-Y312 HydrophobicContact CD2-CE2 4.35Å; Y253-Y312 AromaticContact CD2-CG 3.64Å; Y253-Y312 HydrophobicContact CD2-CG 3.64Å; Y253-Y312 AromaticContact CE2-CD1 3.88Å; Y253-Y312 HydrophobicContact CE2-CD1 3.88Å; Y253-Y312 AromaticContact CE2-CD2 3.51Å; Y253-Y312 HydrophobicContact CE2-CD2 3.51Å; Y253-Y312 AromaticContact CE2-CE1 3.91Å; Y253-Y312 HydrophobicContact CE2-CE1 3.91Å; Y253-Y312 AromaticContact CE2-CE2 3.54Å; Y253-Y312 HydrophobicContact CE2-CE2 3.54Å; Y253-Y312 AromaticContact CE2-CG 3.69Å; Y253-Y312 HydrophobicContact CE2-CG 3.69Å; Y253-Y312 AromaticContact CE2-CZ 3.74Å
254L92.9Very high90.8Very high1 Ų116.4 Ų16.41%0.0059%0.086CC..Hα-helixtrans-86.4-42.6173.1-59.4167.6000112.4V250 G251 L252 L256 G257 Y312 M1169 L1295 A1302V250-L254 HydrophobicContact CG1-CD1 4.45Å; V250-L254 WeakPolarHBondContact O-CG 3.37Å; G251-L254 PolarHBondContact O-N 2.95Å; L252-L254 PolarHBondContact O-N 3.09Å; L254-L256 VanDerWaalsContact C-N 3.28Å; L254-L256 PolarHBondContact O-N 2.93Å; L254-G257 PolarHBondContact O-N 3.23Å; L254-Y312 HydrophobicContact CD2-CE1 4.04Å; L254-M1169 HydrophobicContact CD1-CE 3.62Å; L254-L1295 CarbonylContact C-O 3.55Å; L254-L1295 HydrophobicContact CD2-CD2 3.68Å; L254-L1295 CarbonylContact O-C 3.24Å; L254-L1295 WeakPolarHBondContact O-CB 3.47Å; L254-A1302 HydrophobicContact CD1-CB 4.18Å
255F92Very high90.1Very high74 Ų7417.9 Ų17.933%0.3259%0.092SC..Hα-helixtrans-56.5-39.7-172.2-176.6-102.5000113G251 L252 G257 L1296 F1300G251-F255 VanDerWaalsContact O-CB 3.27Å; G251-F255 WeakPolarHBondContact O-CB 3.27Å; G251-F255 PolarHBondContact O-N 3.29Å; L252-F255 HydrophobicContact CD2-CB 4.18Å; L252-F255 HydrophobicContact CD2-CD1 4.1Å; L252-F255 HydrophobicContact CD2-CG 4.39Å; L252-F255 PolarHBondContact O-N 2.86Å; F255-G257 PolarHBondContact O-N 2.88Å; F255-L1296 HydrophobicContact CD2-CG 4.06Å; F255-L1296 WeakPolarHBondContact CD2-O 3.35Å; F255-L1296 HydrophobicContact CE2-CD1 4.46Å; F255-L1296 HydrophobicContact CE2-CD2 4.28Å; F255-L1296 HydrophobicContact CE2-CG 3.98Å; F255-F1300 HydrophobicContact CD2-CB 4.47Å
256L90.7Very high89.6Confident31 Ų3121.1 Ų21.116%0.16211%0.108CC..THydrogen-bonded Turntrans-80.210.3179.4-61.9-179.3000114.1L252 L254 L259 V260 I306L252-L256 PolarHBondContact O-N 3.34Å; L254-L256 VanDerWaalsContact C-N 3.28Å; L254-L256 PolarHBondContact O-N 2.93Å; L256-L259 HydrophobicContact CB-CB 4.47Å; L256-L259 HydrophobicContact CD2-CD2 4.09Å; L256-L259 WeakPolarHBondContact O-CA 3.41Å; L256-L259 WeakPolarHBondContact O-CB 3.16Å; L256-L259 PolarHBondContact O-N 2.72Å; L256-V260 HydrophobicContact CB-CG2 4.21Å; L256-V260 PolarHBondContact O-N 2.94Å; L256-I306 HydrophobicContact CD1-CB 4.29Å; L256-I306 HydrophobicContact CD1-CG1 3.87Å; L256-I306 HydrophobicContact CD1-CG2 4.2Å
257G86.9Confident89.1Confident1 Ų126.5 Ų26.51%0.0113%0.131CC..Hα-helixtrans-43.9-49.6176.800000114.9L254 F255 L259 S261 L313L254-G257 PolarHBondContact O-N 3.23Å; F255-G257 PolarHBondContact O-N 2.88Å; G257-L259 PolarHBondContact O-N 3.28Å; G257-S261 WeakPolarHBondContact O-CB 3.46Å; G257-S261 PolarHBondContact O-N 3.23Å; G257-L313 WeakPolarHBondContact O-CD1 3.5Å
258P85.9Confident88.7Confident15 Ų1529.6 Ų29.610%0.09715%0.148CC..Hα-helixtrans-63.2-39.7176.3-22.333.9000113.3A262 G1292 L1296P258-A262 WeakPolarHBondContact O-CB 3.46Å; P258-A262 PolarHBondContact O-N 3.18Å; P258-G1292 WeakPolarHBondContact CD-O 3.46Å; P258-G1292 WeakPolarHBondContact CG-O 3.24Å; P258-L1296 HydrophobicContact CG-CB 4Å; P258-L1296 HydrophobicContact CG-CD1 3.84Å
259L88.1Confident88.3Confident66 Ų6628.9 Ų28.935%0.34614%0.143SC..Hα-helixtrans-68.8-48.7-179.1177.162.9000111.5L256 G257 S261 A262 L263 M1144L256-L259 HydrophobicContact CB-CB 4.47Å; L256-L259 HydrophobicContact CD2-CD2 4.09Å; L256-L259 WeakPolarHBondContact O-CA 3.41Å; L256-L259 WeakPolarHBondContact O-CB 3.16Å; L256-L259 PolarHBondContact O-N 2.72Å; G257-L259 PolarHBondContact O-N 3.28Å; L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 PolarHBondContact O-N 3.31Å; L259-A262 WeakPolarHBondContact O-CB 3.37Å; L259-A262 PolarHBondContact O-N 2.84Å; L259-L263 HydrophobicContact CD1-CD1 4.11Å; L259-L263 HydrophobicContact CD1-CG 4.36Å; L259-L263 HydrophobicContact CG-CD1 4.1Å; L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 2.89Å; L259-M1144 HydrophobicContact CD1-CE 3.67Å
260V89.1Confident88.2Confident0 Ų030.6 Ų30.60%015%0.149CC..Hα-helixtrans-67.8-35.2179.5-176.10000110.8L256 S264 V272 S309 F310 L313 P314L256-V260 HydrophobicContact CB-CG2 4.21Å; L256-V260 PolarHBondContact O-N 2.94Å; V260-S264 VanDerWaalsContact O-CB 3.26Å; V260-S264 WeakPolarHBondContact O-CB 3.47Å; V260-S264 PolarHBondContact O-N 3.19Å; V260-S264 PolarHBondContact O-OG 3.12Å; V260-V272 HydrophobicContact CG1-CG1 3.8Å; V260-S309 WeakPolarHBondContact CG2-OG 3.41Å; V260-F310 HydrophobicContact CG2-CD2 3.53Å; V260-F310 HydrophobicContact CG2-CE2 3.7Å; V260-F310 HydrophobicContact CG2-CG 4.15Å; V260-F310 HydrophobicContact CG2-CZ 4.43Å; V260-L313 HydrophobicContact CB-CB 4.34Å; V260-L313 HydrophobicContact CB-CD1 4.48Å; V260-L313 HydrophobicContact CG1-CB 3.94Å; V260-L313 HydrophobicContact CG1-CD2 4.23Å; V260-P314 HydrophobicContact CG1-CG 4.07Å
261S82.3Confident88.1Confident1 Ų132.1 Ų32.11%0.00716%0.159CC..Hα-helixtrans-58.4-51.7169.4174.90000111.7G257 L259 L263 S264 N265 T1288G257-S261 WeakPolarHBondContact O-CB 3.46Å; G257-S261 PolarHBondContact O-N 3.23Å; L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 PolarHBondContact O-N 3.31Å; S261-L263 VanDerWaalsContact C-N 3.34Å; S261-L263 PolarHBondContact O-N 3.44Å; S261-S264 PolarHBondContact O-N 3.19Å; S261-N265 PolarHBondContact O-N 3.19Å; S261-N265 PolarHBondContact O-ND2 3.4Å; S261-N265 PolarHBondContact O-OD1 3.1Å; S261-T1288 VanDerWaalsContact OG-CG2 3.28Å; S261-T1288 WeakPolarHBondContact OG-CG2 3.47Å
262A81.7Confident88Confident1 Ų132.3 Ų32.31%0.00816%0.16CC..Hα-helixtrans-57.2-46.4179.300000112.4P258 L259 Q266 F1143 M1144 L1147P258-A262 WeakPolarHBondContact O-CB 3.46Å; P258-A262 PolarHBondContact O-N 3.18Å; L259-A262 WeakPolarHBondContact O-CB 3.37Å; L259-A262 PolarHBondContact O-N 2.84Å; A262-Q266 PolarHBondContact O-N 2.91Å; A262-F1143 HydrophobicContact CB-CD1 4.45Å; A262-F1143 HydrophobicContact CB-CE1 4.45Å; A262-M1144 HydrophobicContact CB-CE 3.4Å; A262-M1144 VanDerWaalsContact CB-CE 3.4Å; A262-M1144 HydrophobicContact CB-SD 4.01Å; A262-L1147 HydrophobicContact CB-CD1 3.49Å; A262-L1147 VanDerWaalsContact CB-CD1 3.49Å
263L86.7Confident88Confident35 Ų3531 Ų3118%0.18315%0.153CC..Hα-helixtrans-66.2-42.3178.6-67.4170.7000111.8L259 S261 N265 Q266 F267 V272 F310L259-L263 HydrophobicContact CD1-CD1 4.11Å; L259-L263 HydrophobicContact CD1-CG 4.36Å; L259-L263 HydrophobicContact CG-CD1 4.1Å; L259-L263 WeakPolarHBondContact O-CG 3.32Å; L259-L263 PolarHBondContact O-N 2.89Å; S261-L263 VanDerWaalsContact C-N 3.34Å; S261-L263 PolarHBondContact O-N 3.44Å; L263-N265 VanDerWaalsContact C-N 3.3Å; L263-N265 PolarHBondContact O-N 3.39Å; L263-Q266 PolarHBondContact O-N 3.38Å; L263-Q266 VanDerWaalsContact O-N 3.16Å; L263-F267 HydrophobicContact CB-CD2 4.44Å; L263-F267 HydrophobicContact CD2-CD2 4.04Å; L263-F267 HydrophobicContact CD2-CE2 3.81Å; L263-F267 WeakPolarHBondContact O-CB 3.15Å; L263-F267 WeakPolarHBondContact O-CD2 3.43Å; L263-F267 PolarHBondContact O-N 3.33Å; L263-V272 HydrophobicContact CB-CG2 4.1Å; L263-F310 HydrophobicContact CD1-CE1 3.73Å; L263-F310 HydrophobicContact CD1-CZ 3.6Å
264S84.8Confident88.1Confident2 Ų232.4 Ų32.41%0.01416%0.16CC..Hα-helixtrans-63.8-35.6179.7-59.10000112.8V260 S261 Q266 D268 F269V260-S264 VanDerWaalsContact O-CB 3.26Å; V260-S264 WeakPolarHBondContact O-CB 3.47Å; V260-S264 PolarHBondContact O-N 3.19Å; V260-S264 PolarHBondContact O-OG 3.12Å; S261-S264 PolarHBondContact O-N 3.19Å; S264-Q266 VanDerWaalsContact C-N 3.29Å; S264-Q266 PolarHBondContact O-N 2.73Å; S264-D268 CarbonylContact O-C 3.59Å; S264-D268 WeakPolarHBondContact O-CA 3.44Å; S264-D268 PolarHBondContact O-N 3Å; S264-F269 VanDerWaalsContact CB-CD1 3.49Å
265N79.9Confident88.2Confident68 Ų6836.4 Ų36.436%0.36418%0.181SC..Hα-helixtrans-74.9-16.2178.1-62.5-17.5000113S261 L263 F1143S261-N265 PolarHBondContact O-N 3.19Å; S261-N265 PolarHBondContact O-ND2 3.4Å; S261-N265 PolarHBondContact O-OD1 3.1Å; L263-N265 VanDerWaalsContact C-N 3.3Å; L263-N265 PolarHBondContact O-N 3.39Å; N265-F1143 HydrophobicContact CB-CE1 3.91Å; N265-F1143 HydrophobicContact CB-CZ 3.83Å
266Q84Confident88.4Confident69 Ų6932.9 Ų32.932%0.32217%0.165SC..Hα-helixtrans-104.5-31.3179.1-69.1-1665.700114.1A262 L263 S264 F1143A262-Q266 PolarHBondContact O-N 2.91Å; L263-Q266 PolarHBondContact O-N 3.38Å; L263-Q266 VanDerWaalsContact O-N 3.16Å; S264-Q266 VanDerWaalsContact C-N 3.29Å; S264-Q266 PolarHBondContact O-N 2.73Å; Q266-F1143 HydrophobicContact CG-CD1 4.18Å; Q266-F1143 HydrophobicContact CG-CE1 4.16Å; Q266-F1143 VanDerWaalsContact NE2-CD1 3.29Å
267F83.7Confident88.6Confident113 Ų11331.4 Ų31.450%0.49616%0.158SC..Hα-helixtrans-115.811.3-173.1-62.8-70.3000113.9L263 P271 V272L263-F267 HydrophobicContact CB-CD2 4.44Å; L263-F267 HydrophobicContact CD2-CD2 4.04Å; L263-F267 HydrophobicContact CD2-CE2 3.81Å; L263-F267 WeakPolarHBondContact O-CB 3.15Å; L263-F267 WeakPolarHBondContact O-CD2 3.43Å; L263-F267 PolarHBondContact O-N 3.33Å; F267-P271 HydrophobicContact CB-CG 4.34Å; F267-P271 WeakPolarHBondContact O-CD 3.39Å; F267-P271 WeakPolarHBondContact O-CG 3.39Å; F267-V272 HydrophobicContact CB-CG2 4.36Å
268D85.7Confident89.1Confident65 Ų6535.5 Ų35.535%0.34818%0.178SC..  trans62.4159.7-159.9-72.9-48.9000114.3S264 R270 P271 V272S264-D268 CarbonylContact O-C 3.59Å; S264-D268 WeakPolarHBondContact O-CA 3.44Å; S264-D268 PolarHBondContact O-N 3Å; D268-R270 PolarHBondContact O-N 3.43Å; D268-P271 WeakPolarHBondContact O-CD 3.45Å; D268-V272 WeakPolarHBondContact O-CG2 3.36Å
269F88.5Confident89.6Confident29 Ų2936.9 Ų36.913%0.12719%0.185CC..Hα-helixtrans-61.6-28.9172.7-61.7-69.1000113.9S264 A273 P314 A317 T318 H321S264-F269 VanDerWaalsContact CB-CD1 3.49Å; F269-A273 WeakPolarHBondContact O-CB 3.43Å; F269-A273 PolarHBondContact O-N 3.08Å; F269-P314 HydrophobicContact CB-CB 3.98Å; F269-P314 HydrophobicContact CD1-CB 4.12Å; F269-P314 WeakPolarHBondContact O-CB 3.29Å; F269-A317 HydrophobicContact CD1-CB 3.98Å; F269-A317 HydrophobicContact CE1-CB 3.39Å; F269-A317 HydrophobicContact CZ-CB 4.02Å; F269-T318 HydrophobicContact CB-CG2 3.3Å; F269-T318 HydrophobicContact CD1-CG2 4.22Å; F269-T318 HydrophobicContact CD2-CG2 3.64Å; F269-T318 HydrophobicContact CG-CG2 3.44Å; F269-T318 VanDerWaalsContact CG-CG2 3.44Å; F269-H321 AromaticContact CZ-CE1 3.66Å
270R92.6Very high90Very high35 Ų3533.8 Ų33.813%0.13217%0.168CC..Hα-helixtrans-72.9-49.7-167.3-162.1-174.8-169.3-155.29.8114.4D268 A273 M274 I376 L377 F379 Y886D268-R270 PolarHBondContact O-N 3.43Å; R270-A273 PolarHBondContact O-N 2.72Å; R270-M274 HydrophobicContact CG-CE 4.04Å; R270-M274 WeakPolarHBondContact O-CG 3.37Å; R270-M274 PolarHBondContact O-N 2.89Å; R270-M274 VanDerWaalsContact O-N 3.12Å; R270-I376 HydrophobicContact CG-CG2 4.35Å; R270-L377 PolarHBondContact NH2-O 3.27Å; R270-F379 WeakPolarHBondContact CB-O 3.03Å; R270-F379 WeakPolarHBondContact CD-O 3.48Å; R270-F379 HydrophobicContact CG-CB 4.34Å; R270-F379 VanDerWaalsContact CG-O 3.31Å; R270-F379 WeakPolarHBondContact CG-O 3.4Å; R270-Y886 VanDerWaalsContact C-OH 3.32Å; R270-Y886 HydrophobicContact CB-CE2 4.4Å; R270-Y886 WeakPolarHBondContact CB-OH 3.46Å; R270-Y886 HydrophobicContact CG-CE1 4.35Å; R270-Y886 WeakPolarHBondContact CG-OH 3.46Å; R270-Y886 VanDerWaalsContact NH1-CE1 3.26Å
271P92Very high90.4Very high32 Ų3234.6 Ų34.621%0.20817%0.173CC..Hα-helixtrans-76.2-30.9-179.228.6-32000111.5F267 D268 A273 M274 I275 Y886F267-P271 HydrophobicContact CB-CG 4.34Å; F267-P271 WeakPolarHBondContact O-CD 3.39Å; F267-P271 WeakPolarHBondContact O-CG 3.39Å; D268-P271 WeakPolarHBondContact O-CD 3.45Å; P271-A273 VanDerWaalsContact C-N 3.33Å; P271-A273 PolarHBondContact O-N 2.76Å; P271-M274 PolarHBondContact O-N 3.22Å; P271-I275 VanDerWaalsContact O-CG1 3.3Å; P271-I275 WeakPolarHBondContact O-CG1 3.26Å; P271-I275 PolarHBondContact O-N 3.13Å; P271-Y886 VanDerWaalsContact CA-OH 3.29Å; P271-Y886 WeakPolarHBondContact CA-OH 3.44Å; P271-Y886 HydrophobicContact CB-CE2 4.48Å; P271-Y886 WeakPolarHBondContact CB-OH 3.38Å; P271-Y886 VanDerWaalsContact CD-OH 3.24Å; P271-Y886 WeakPolarHBondContact CD-OH 3.4Å; P271-Y886 HydrophobicContact CG-CE2 4.28Å
272V93.1Very high91.1Very high6 Ų638.1 Ų38.14%0.03620%0.195CC..Hα-helixtrans-56.5-48.7171.9178.20000110.1V260 L263 F267 D268 M274 I275 G276 F310 P314V260-V272 HydrophobicContact CG1-CG1 3.8Å; L263-V272 HydrophobicContact CB-CG2 4.1Å; F267-V272 HydrophobicContact CB-CG2 4.36Å; D268-V272 WeakPolarHBondContact O-CG2 3.36Å; V272-M274 PolarHBondContact O-N 2.81Å; V272-I275 PolarHBondContact O-N 3.02Å; V272-G276 PolarHBondContact O-N 3.21Å; V272-F310 HydrophobicContact CG1-CB 4.42Å; V272-F310 HydrophobicContact CG1-CD1 3.64Å; V272-F310 HydrophobicContact CG1-CE1 4.23Å; V272-F310 HydrophobicContact CG1-CG 4.24Å; V272-P314 HydrophobicContact CB-CG 4.36Å; V272-P314 HydrophobicContact CG1-CG 3.95Å
273A94.4Very high91.8Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-62.9-40.4174.500000113.6F269 R270 P271 I275 G276 A277 F310 P314 I376 F379F269-A273 WeakPolarHBondContact O-CB 3.43Å; F269-A273 PolarHBondContact O-N 3.08Å; R270-A273 PolarHBondContact O-N 2.72Å; P271-A273 VanDerWaalsContact C-N 3.33Å; P271-A273 PolarHBondContact O-N 2.76Å; A273-I275 PolarHBondContact O-N 3.27Å; A273-G276 PolarHBondContact O-N 3.31Å; A273-A277 PolarHBondContact O-N 2.84Å; A273-F310 VanDerWaalsContact CA-O 3.25Å; A273-F310 WeakPolarHBondContact CA-O 3.25Å; A273-P314 HydrophobicContact CB-CB 4.12Å; A273-P314 HydrophobicContact CB-CG 4.45Å; A273-I376 HydrophobicContact CB-CB 4.5Å; A273-I376 HydrophobicContact CB-CD1 3.93Å; A273-I376 HydrophobicContact CB-CG1 4.04Å; A273-I376 HydrophobicContact CB-CG2 3.61Å; A273-I376 WeakPolarHBondContact O-CD1 3.32Å; A273-F379 HydrophobicContact CB-CD2 4.32Å; A273-F379 HydrophobicContact CB-CE2 4.37Å
274M95.2Very high92.3Very high36 Ų3636.5 Ų36.518%0.17719%0.186CC..Hα-helixtrans-61.8-42.8176.5-71.1171.4171.700112.3R270 P271 V272 A277 I278 L373 I376 L377 Y886R270-M274 HydrophobicContact CG-CE 4.04Å; R270-M274 WeakPolarHBondContact O-CG 3.37Å; R270-M274 PolarHBondContact O-N 2.89Å; R270-M274 VanDerWaalsContact O-N 3.12Å; P271-M274 PolarHBondContact O-N 3.22Å; V272-M274 PolarHBondContact O-N 2.81Å; M274-A277 PolarHBondContact O-N 3.18Å; M274-I278 WeakPolarHBondContact O-CG1 3.43Å; M274-I278 PolarHBondContact O-N 2.9Å; M274-I278 VanDerWaalsContact O-N 3.12Å; M274-L373 HydrophobicContact CB-CD2 4Å; M274-L373 HydrophobicContact CG-CD2 4.15Å; M274-I376 HydrophobicContact CE-CG2 4.29Å; M274-I376 HydrophobicContact CG-CG2 3.71Å; M274-L377 HydrophobicContact CE-CD2 3.61Å; M274-Y886 HydrophobicContact CE-CE1 4.17Å; M274-Y886 HydrophobicContact SD-CE1 4.15Å; M274-Y886 PolarHBondContact SD-OH 3.32Å; M274-Y886 VanDerWaalsContact SD-OH 3.4Å
275I94.9Very high92.9Very high85 Ų8539.9 Ų39.944%0.43620%0.204SC..Hα-helixtrans-61.8-44.9175.1-69.3163.5000109.9P271 V272 A273 A277 I278 I279 F310P271-I275 VanDerWaalsContact O-CG1 3.3Å; P271-I275 WeakPolarHBondContact O-CG1 3.26Å; P271-I275 PolarHBondContact O-N 3.13Å; V272-I275 PolarHBondContact O-N 3.02Å; A273-I275 PolarHBondContact O-N 3.27Å; I275-A277 PolarHBondContact O-N 2.97Å; I275-I278 PolarHBondContact O-N 3.11Å; I275-I279 HydrophobicContact CG2-CD1 3.64Å; I275-I279 HydrophobicContact CG2-CG1 4.35Å; I275-I279 WeakPolarHBondContact O-CG1 3.47Å; I275-I279 PolarHBondContact O-N 2.92Å; I275-F310 HydrophobicContact CG2-CD1 4.3Å
276G95.3Very high93.6Very high0 Ų039.7 Ų39.70%021%0.205CC..Hα-helixtrans-57.1-44.6174.800000113.9V272 A273 I279 T280 G307 F310V272-G276 PolarHBondContact O-N 3.21Å; A273-G276 PolarHBondContact O-N 3.31Å; G276-I279 PolarHBondContact O-N 3.26Å; G276-T280 WeakPolarHBondContact O-CB 3.48Å; G276-T280 PolarHBondContact O-N 2.71Å; G276-T280 PolarHBondContact O-OG1 2.98Å; G276-G307 CarbonylContact C-O 3.56Å; G276-G307 WeakPolarHBondContact CA-O 3.45Å; G276-F310 VanDerWaalsContact CA-CB 3.41Å
277A96.1Very high94.2Very high0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-63.1-40.5176.600000112.9A273 M274 I275 T281 I311 C372 L373 I376A273-A277 PolarHBondContact O-N 2.84Å; M274-A277 PolarHBondContact O-N 3.18Å; I275-A277 PolarHBondContact O-N 2.97Å; A277-T281 WeakPolarHBondContact O-CB 3.02Å; A277-T281 PolarHBondContact O-N 3.1Å; A277-T281 PolarHBondContact O-OG1 3.13Å; A277-I311 HydrophobicContact CB-CD1 4.24Å; A277-C372 HydrophobicContact CB-CB 4.11Å; A277-L373 HydrophobicContact CB-CD2 3.83Å; A277-L373 HydrophobicContact CB-CG 4.01Å; A277-I376 HydrophobicContact CB-CD1 3.89Å
278I96.7Very high94.8Very high87 Ų8731.1 Ų31.145%0.44617%0.167SC..Hα-helixtrans-65.4-49.4175.5-66.1164.8000110.6M274 I275 T280 T281 V282 L373M274-I278 WeakPolarHBondContact O-CG1 3.43Å; M274-I278 PolarHBondContact O-N 2.9Å; M274-I278 VanDerWaalsContact O-N 3.12Å; I275-I278 PolarHBondContact O-N 3.11Å; I278-T280 VanDerWaalsContact C-N 3.34Å; I278-T280 PolarHBondContact O-N 3.33Å; I278-T281 PolarHBondContact O-N 3.41Å; I278-V282 WeakPolarHBondContact O-CG2 3.34Å; I278-V282 PolarHBondContact O-N 3.26Å; I278-L373 HydrophobicContact CG1-CD1 4.21Å; I278-L373 HydrophobicContact CG1-CD2 4.18Å
279I96.7Very high95.2Very high44 Ų4434.9 Ų34.923%0.22618%0.18CC..Hα-helixtrans-59.5-45.9179.3-67.8170.7000110.5I275 G276 T281 V282 A283 L303I275-I279 HydrophobicContact CG2-CD1 3.64Å; I275-I279 HydrophobicContact CG2-CG1 4.35Å; I275-I279 WeakPolarHBondContact O-CG1 3.47Å; I275-I279 PolarHBondContact O-N 2.92Å; G276-I279 PolarHBondContact O-N 3.26Å; I279-T281 PolarHBondContact O-N 3.36Å; I279-V282 PolarHBondContact O-N 3.24Å; I279-A283 VanDerWaalsContact O-CB 3.24Å; I279-A283 WeakPolarHBondContact O-CB 3.26Å; I279-A283 PolarHBondContact O-N 3Å; I279-L303 HydrophobicContact CG2-CD1 3.8Å; I279-L303 HydrophobicContact CG2-CG 3.98Å; I279-L303 WeakPolarHBondContact CG2-O 3.49Å
280T96.8Very high95.5Very high1 Ų134.2 Ų34.21%0.00618%0.179CC..Hα-helixtrans-60.4-43.8177.5-53.60000111.7G276 I278 A283 L284 G307 L308 C369G276-T280 WeakPolarHBondContact O-CB 3.48Å; G276-T280 PolarHBondContact O-N 2.71Å; G276-T280 PolarHBondContact O-OG1 2.98Å; I278-T280 VanDerWaalsContact C-N 3.34Å; I278-T280 PolarHBondContact O-N 3.33Å; T280-A283 PolarHBondContact O-N 2.91Å; T280-L284 HydrophobicContact CG2-CD1 3.98Å; T280-L284 HydrophobicContact CG2-CG 4.37Å; T280-L284 WeakPolarHBondContact O-CG 3.29Å; T280-L284 PolarHBondContact O-N 3.05Å; T280-G307 WeakPolarHBondContact OG1-CA 3.35Å; T280-G307 PolarHBondContact OG1-O 3.34Å; T280-L308 HydrophobicContact CG2-CD2 3.61Å; T280-L308 HydrophobicContact CG2-CG 4.04Å; T280-L308 PolarHBondContact OG1-N 3.45Å; T280-C369 HydrophobicContact CG2-CB 4.27Å
281T96.8Very high95.3Very high17 Ų1737.5 Ų37.510%0.10420%0.203CC..Hα-helixtrans-61.3-47.8178.4-58.60000111.1A277 I278 I279 L285 F370A277-T281 WeakPolarHBondContact O-CB 3.02Å; A277-T281 PolarHBondContact O-N 3.1Å; A277-T281 PolarHBondContact O-OG1 3.13Å; I278-T281 PolarHBondContact O-N 3.41Å; I279-T281 PolarHBondContact O-N 3.36Å; T281-L285 WeakPolarHBondContact O-CB 3.47Å; T281-L285 PolarHBondContact O-N 3.3Å; T281-F370 HydrophobicContact CG2-CB 3.95Å; T281-F370 HydrophobicContact CG2-CD2 4Å; T281-F370 HydrophobicContact CG2-CG 4.39Å; T281-F370 WeakPolarHBondContact OG1-CA 3.35Å; T281-F370 PolarHBondContact OG1-N 2.86Å
282V97.3Very high95.4Very high75 Ų7539.2 Ų39.246%0.45521%0.213SC..Hα-helixtrans-64.9-41.6178.11740000111.1I278 I279 T286I278-V282 WeakPolarHBondContact O-CG2 3.34Å; I278-V282 PolarHBondContact O-N 3.26Å; I279-V282 PolarHBondContact O-N 3.24Å; V282-T286 VanDerWaalsContact O-CB 3.28Å; V282-T286 WeakPolarHBondContact O-CB 3.26Å; V282-T286 PolarHBondContact O-N 3.06Å; V282-T286 PolarHBondContact O-OG1 2.84Å
283A97.4Very high95.3Very high0 Ų039.7 Ų39.70%022%0.215CC..Hα-helixtrans-58.8-53.7176.400000112.5I279 T280 T286 S287 T299 L303I279-A283 VanDerWaalsContact O-CB 3.24Å; I279-A283 WeakPolarHBondContact O-CB 3.26Å; I279-A283 PolarHBondContact O-N 3Å; T280-A283 PolarHBondContact O-N 2.91Å; A283-T286 PolarHBondContact O-N 3.49Å; A283-S287 WeakPolarHBondContact O-CB 3.3Å; A283-S287 PolarHBondContact O-N 2.91Å; A283-S287 PolarHBondContact O-OG 2.97Å; A283-T299 WeakPolarHBondContact CB-O 3.47Å; A283-L303 HydrophobicContact CB-CB 4.15Å; A283-L303 HydrophobicContact CB-CD2 4.12Å; A283-L303 HydrophobicContact CB-CG 4Å
284L96.5Very high95.3Very high2 Ų246.1 Ų46.11%0.0125%0.245CC..Hα-helixtrans-64.3-43.9-179.9-68.1175.1000111.9I173 T280 S287 A288 F300 L362 L365 A366 C369I173-L284 HydrophobicContact CD1-CD1 4.13Å; T280-L284 HydrophobicContact CG2-CD1 3.98Å; T280-L284 HydrophobicContact CG2-CG 4.37Å; T280-L284 WeakPolarHBondContact O-CG 3.29Å; T280-L284 PolarHBondContact O-N 3.05Å; L284-S287 PolarHBondContact O-N 2.83Å; L284-A288 PolarHBondContact O-N 3.49Å; L284-F300 HydrophobicContact CD2-CD2 3.7Å; L284-F300 HydrophobicContact CD2-CE2 3.48Å; L284-F300 VanDerWaalsContact CD2-CE2 3.48Å; L284-L362 HydrophobicContact CD2-CD2 4.27Å; L284-L365 HydrophobicContact CD1-CB 4.34Å; L284-A366 HydrophobicContact CB-CB 3.76Å; L284-C369 HydrophobicContact CD1-CB 4.25Å; L284-C369 VanDerWaalsContact CD1-SG 3.54Å
285L96.8Very high95.2Very high73 Ų7348.4 Ų48.438%0.38226%0.256SS..Hα-helixtrans-63.9-42.9178.9-176.762.3000111.7T281 A288 F289 I363 A366T281-L285 WeakPolarHBondContact O-CB 3.47Å; T281-L285 PolarHBondContact O-N 3.3Å; L285-A288 PolarHBondContact O-N 2.89Å; L285-F289 HydrophobicContact CD1-CE2 3.98Å; L285-F289 HydrophobicContact CG-CE2 4.31Å; L285-F289 WeakPolarHBondContact O-CD2 3.18Å; L285-F289 WeakPolarHBondContact O-CE2 3.43Å; L285-I363 HydrophobicContact CD1-CG1 4.35Å; L285-I363 HydrophobicContact CD1-CG2 4.3Å; L285-A366 HydrophobicContact CB-CB 3.98Å
286T96.2Very high95.2Very high64 Ų6444.5 Ų44.539%0.39324%0.236SC..Hα-helixtrans-64.9-42.4176.6-52.50000110.8V282 A283 A288 F289 T299V282-T286 VanDerWaalsContact O-CB 3.28Å; V282-T286 WeakPolarHBondContact O-CB 3.26Å; V282-T286 PolarHBondContact O-N 3.06Å; V282-T286 PolarHBondContact O-OG1 2.84Å; A283-T286 PolarHBondContact O-N 3.49Å; T286-A288 PolarHBondContact O-N 3.01Å; T286-F289 PolarHBondContact O-N 2.94Å; T286-T299 HydrophobicContact CG2-CG2 3.86Å
287S96.7Very high95.3Very high0 Ų045.8 Ų45.80%024%0.244CC..Hα-helixtrans-58.9-30.1-178.8-58.10000113.4A283 L284 F289 V290 T299 F300A283-S287 WeakPolarHBondContact O-CB 3.3Å; A283-S287 PolarHBondContact O-N 2.91Å; A283-S287 PolarHBondContact O-OG 2.97Å; L284-S287 PolarHBondContact O-N 2.83Å; S287-F289 PolarHBondContact O-N 3.48Å; S287-V290 PolarHBondContact O-N 3.3Å; S287-T299 WeakPolarHBondContact CA-OG1 3.34Å; S287-T299 VanDerWaalsContact OG-CB 3.25Å; S287-T299 WeakPolarHBondContact OG-CB 3.38Å; S287-T299 PolarHBondContact OG-OG1 3.5Å; S287-F300 WeakPolarHBondContact OG-CA 3.3Å; S287-F300 WeakPolarHBondContact OG-CB 3.41Å; S287-F300 PolarHBondContact OG-N 3.24Å; S287-F300 VanDerWaalsContact OG-N 3.1Å
288A94.9Very high95.3Very high2 Ų250 Ų502%0.01727%0.266CS..THydrogen-bonded Turntrans-65.4-24.3176.900000113.8L284 L285 T286 R359 L362 I363L284-A288 PolarHBondContact O-N 3.49Å; L285-A288 PolarHBondContact O-N 2.89Å; T286-A288 PolarHBondContact O-N 3.01Å; A288-R359 VanDerWaalsContact O-CD 3.27Å; A288-R359 WeakPolarHBondContact O-CD 3.38Å; A288-R359 WeakPolarHBondContact O-CG 3.35Å; A288-L362 HydrophobicContact CB-CB 3.92Å; A288-I363 HydrophobicContact CB-CD1 4.18Å; A288-I363 HydrophobicContact CB-CG1 3.55Å
289F94.5Very high95.3Very high144 Ų14446.4 Ų46.463%0.63225%0.248SC*.THydrogen-bonded Turntrans-1000.6-179-58.9-71000113.6L285 T286 S287 I363L285-F289 HydrophobicContact CD1-CE2 3.98Å; L285-F289 HydrophobicContact CG-CE2 4.31Å; L285-F289 WeakPolarHBondContact O-CD2 3.18Å; L285-F289 WeakPolarHBondContact O-CE2 3.43Å; T286-F289 PolarHBondContact O-N 2.94Å; S287-F289 PolarHBondContact O-N 3.48Å; F289-I363 HydrophobicContact CE1-CD1 4.47Å; F289-I363 HydrophobicContact CZ-CD1 4.08Å
290V94.7Very high95.2Very high15 Ų1544.3 Ų44.39%0.09124%0.238CC..  trans-75.8144-177.6173.80000111.8F234 S287 T292 M295 F296 T299F234-V290 HydrophobicContact CE1-CG1 4.29Å; S287-V290 PolarHBondContact O-N 3.3Å; V290-T292 WeakPolarHBondContact CG1-O 3.38Å; V290-M295 HydrophobicContact CG1-CB 3.58Å; V290-M295 HydrophobicContact CG2-CB 4.33Å; V290-F296 HydrophobicContact CB-CB 4.47Å; V290-F296 HydrophobicContact CG1-CB 3.89Å; V290-T299 HydrophobicContact CG2-CG2 4.44Å
291T89.4Confident95.1Very high105 Ų10544.3 Ų44.364%0.64424%0.237SC*.  trans-117.20.4-179.453.90000114.2
292T92.8Very high95.1Very high68 Ų6847.1 Ų47.142%0.41725%0.252SS..SBendtrans-134.3139.8178.363.20000111.9V290 E294 M295 F296V290-T292 WeakPolarHBondContact CG1-O 3.38Å; T292-E294 PolarHBondContact O-N 3.11Å; T292-M295 PolarHBondContact O-N 3.33Å; T292-M295 WeakPolarHBondContact OG1-CB 3.19Å; T292-M295 WeakPolarHBondContact OG1-CG 3.38Å; T292-F296 PolarHBondContact O-N 3.42Å
293I91.7Very high95.1Very high15 Ų1546.5 Ų46.58%0.07725%0.245CC..Hα-helixtrans-63-29.5-175.5-16656.9000113.3F234 I236 I241 L242 P245 F296 T297F234-I293 HydrophobicContact CB-CB 4.36Å; F234-I293 HydrophobicContact CD2-CD1 3.8Å; F234-I293 HydrophobicContact CE2-CD1 4.08Å; F234-I293 HydrophobicContact CG-CB 4.38Å; F234-I293 HydrophobicContact CG-CD1 4.5Å; I236-I293 HydrophobicContact CD1-CB 4.22Å; I236-I293 HydrophobicContact CD1-CG2 3.47Å; I236-I293 VanDerWaalsContact CD1-CG2 3.47Å; I241-I293 HydrophobicContact CG2-CG1 3.91Å; I241-I293 HydrophobicContact CG2-CG2 4.28Å; L242-I293 HydrophobicContact CD1-CD1 4.11Å; P245-I293 HydrophobicContact CG-CD1 4.31Å; I293-F296 HydrophobicContact CD1-CD1 4.09Å; I293-F296 PolarHBondContact O-N 2.98Å; I293-T297 WeakPolarHBondContact O-CB 3.33Å; I293-T297 PolarHBondContact O-N 3.39Å; I293-T297 PolarHBondContact O-OG1 3.04Å
294E93.3Very high95Very high135 Ų13546.5 Ų46.563%0.63125%0.245SC*.Hα-helixtrans-67.2-50.7179.1-62.7-175.7174.300111.1T292 F296 T297 L298T292-E294 PolarHBondContact O-N 3.11Å; E294-F296 PolarHBondContact O-N 3.39Å; E294-T297 PolarHBondContact O-N 3.22Å; E294-L298 WeakPolarHBondContact O-CB 3.34Å; E294-L298 PolarHBondContact O-N 3.48Å
295M94.2Very high95Very high85 Ų8546.4 Ų46.442%0.41925%0.245SC..Hα-helixtrans-61.6-35173.6-71.8-68.6-173.700111.1V290 T292 L298 T299 F999V290-M295 HydrophobicContact CG1-CB 3.58Å; V290-M295 HydrophobicContact CG2-CB 4.33Å; T292-M295 PolarHBondContact O-N 3.33Å; T292-M295 WeakPolarHBondContact OG1-CB 3.19Å; T292-M295 WeakPolarHBondContact OG1-CG 3.38Å; M295-L298 WeakPolarHBondContact O-CB 3.2Å; M295-L298 PolarHBondContact O-N 3.44Å; M295-T299 WeakPolarHBondContact O-CG2 3.37Å; M295-T299 PolarHBondContact O-N 3.12Å; M295-T299 PolarHBondContact O-OG1 2.81Å; M295-T299 VanDerWaalsContact O-OG1 3.11Å; M295-F999 HydrophobicContact CE-CE1 4.44Å; M295-F999 HydrophobicContact CE-CZ 4.39Å
296F95.5Very high94.9Very high3 Ų345.1 Ų45.11%0.01324%0.238CC..Hα-helixtrans-70.2-38.1178.4-175.7-99.4000111.4Y177 F234 P245 V290 T292 I293 E294 L298 T299 F300 W358 L362Y177-F296 HydrophobicContact CE2-CE1 4.16Å; Y177-F296 HydrophobicContact CE2-CZ 4.46Å; F234-F296 HydrophobicContact CE1-CB 4.48Å; F234-F296 HydrophobicContact CE2-CB 4.12Å; F234-F296 HydrophobicContact CE2-CD1 4.08Å; F234-F296 HydrophobicContact CE2-CD2 4.22Å; F234-F296 AromaticContact CE2-CG 3.88Å; F234-F296 HydrophobicContact CE2-CG 3.88Å; F234-F296 HydrophobicContact CZ-CB 3.76Å; F234-F296 HydrophobicContact CZ-CD1 4.43Å; F234-F296 AromaticContact CZ-CD2 3.87Å; F234-F296 HydrophobicContact CZ-CD2 3.87Å; F234-F296 AromaticContact CZ-CG 3.77Å; F234-F296 HydrophobicContact CZ-CG 3.77Å; P245-F296 HydrophobicContact CB-CD1 4.05Å; P245-F296 HydrophobicContact CB-CE1 3.91Å; P245-F296 HydrophobicContact CG-CD1 3.69Å; P245-F296 HydrophobicContact CG-CE1 3.91Å; V290-F296 HydrophobicContact CB-CB 4.47Å; V290-F296 HydrophobicContact CG1-CB 3.89Å; T292-F296 PolarHBondContact O-N 3.42Å; I293-F296 HydrophobicContact CD1-CD1 4.09Å; I293-F296 PolarHBondContact O-N 2.98Å; E294-F296 PolarHBondContact O-N 3.39Å; F296-L298 VanDerWaalsContact C-N 3.29Å; F296-L298 PolarHBondContact O-N 2.9Å; F296-T299 PolarHBondContact O-N 3.33Å; F296-F300 HydrophobicContact CD1-CB 4.42Å; F296-F300 HydrophobicContact CD2-CB 4.4Å; F296-F300 HydrophobicContact CE1-CB 4.14Å; F296-F300 HydrophobicContact CE1-CD1 4.5Å; F296-F300 HydrophobicContact CE1-CG 4.29Å; F296-F300 HydrophobicContact CE2-CB 4.12Å; F296-F300 HydrophobicContact CE2-CG 4.46Å; F296-F300 HydrophobicContact CZ-CB 3.98Å; F296-F300 HydrophobicContact CZ-CD2 4.22Å; F296-F300 AromaticContact CZ-CG 3.98Å; F296-F300 HydrophobicContact CZ-CG 3.98Å; F296-F300 WeakPolarHBondContact O-CA 3.05Å; F296-F300 WeakPolarHBondContact O-CB 3.41Å; F296-F300 PolarHBondContact O-N 2.9Å; F296-W358 HydrophobicContact CD2-CZ3 4.45Å; F296-W358 AromaticContact CE2-CZ3 3.95Å; F296-W358 HydrophobicContact CE2-CZ3 3.95Å; F296-L362 HydrophobicContact CE2-CD1 3.82Å; F296-L362 HydrophobicContact CZ-CD1 4.33Å
297T95.7Very high94.9Very high27 Ų2742.1 Ų42.117%0.16622%0.219CC..Iπ-helixtrans-64.7-35.6171.9-53.40000111.2T244 L248 I293 E294 G301 L302T244-T297 HydrophobicContact CG2-CG2 3.96Å; L248-T297 HydrophobicContact CD1-CG2 4.34Å; I293-T297 WeakPolarHBondContact O-CB 3.33Å; I293-T297 PolarHBondContact O-N 3.39Å; I293-T297 PolarHBondContact O-OG1 3.04Å; E294-T297 PolarHBondContact O-N 3.22Å; T297-G301 CarbonylContact O-C 3.58Å; T297-G301 WeakPolarHBondContact O-CA 3.31Å; T297-G301 PolarHBondContact O-N 3.43Å; T297-G301 VanDerWaalsContact O-N 3.13Å; T297-L302 PolarHBondContact O-N 3.49Å
298L96.2Very high94.9Very high87 Ų8742.2 Ų42.246%0.45522%0.22SC..Iπ-helixtrans-70.9-45.7175.9-166.8160.1000112.1E294 M295 F296 L302 L303E294-L298 WeakPolarHBondContact O-CB 3.34Å; E294-L298 PolarHBondContact O-N 3.48Å; M295-L298 WeakPolarHBondContact O-CB 3.2Å; M295-L298 PolarHBondContact O-N 3.44Å; F296-L298 VanDerWaalsContact C-N 3.29Å; F296-L298 PolarHBondContact O-N 2.9Å; L298-L302 HydrophobicContact CG-CD2 4.37Å; L298-L302 WeakPolarHBondContact O-CB 3.46Å; L298-L302 PolarHBondContact O-N 2.93Å; L298-L303 PolarHBondContact O-N 3.18Å
299T96.3Very high94.8Very high13 Ų1342.1 Ų42.18%0.0822%0.219CC..Iπ-helixtrans-80-52-177.8590000112.3A283 T286 S287 V290 M295 F296 G304A283-T299 WeakPolarHBondContact CB-O 3.47Å; T286-T299 HydrophobicContact CG2-CG2 3.86Å; S287-T299 WeakPolarHBondContact CA-OG1 3.34Å; S287-T299 VanDerWaalsContact OG-CB 3.25Å; S287-T299 WeakPolarHBondContact OG-CB 3.38Å; S287-T299 PolarHBondContact OG-OG1 3.5Å; V290-T299 HydrophobicContact CG2-CG2 4.44Å; M295-T299 WeakPolarHBondContact O-CG2 3.37Å; M295-T299 PolarHBondContact O-N 3.12Å; M295-T299 PolarHBondContact O-OG1 2.81Å; M295-T299 VanDerWaalsContact O-OG1 3.11Å; F296-T299 PolarHBondContact O-N 3.33Å; T299-G304 PolarHBondContact O-N 3.44Å
300F96.1Very high94.8Very high0 Ų036.5 Ų36.50%019%0.194CC..Iπ-helixtrans-77.2-48-176.8-173-88.9000111.3I173 Y177 L180 P245 I249 L284 S287 F296 G304 L362I173-F300 HydrophobicContact CG2-CZ 4.34Å; Y177-F300 HydrophobicContact CD2-CD1 4.18Å; Y177-F300 AromaticContact CD2-CE1 3.31Å; Y177-F300 HydrophobicContact CD2-CE1 3.31Å; Y177-F300 AromaticContact CD2-CZ 3.6Å; Y177-F300 HydrophobicContact CD2-CZ 3.6Å; Y177-F300 AromaticContact CE2-CD1 3.99Å; Y177-F300 HydrophobicContact CE2-CD1 3.99Å; Y177-F300 AromaticContact CE2-CE1 3.59Å; Y177-F300 HydrophobicContact CE2-CE1 3.59Å; Y177-F300 HydrophobicContact CE2-CZ 4.13Å; Y177-F300 HydrophobicContact CG-CE1 4.27Å; L180-F300 HydrophobicContact CD1-CZ 4.49Å; P245-F300 HydrophobicContact CB-CD1 3.91Å; I249-F300 HydrophobicContact CB-CE1 4.38Å; I249-F300 HydrophobicContact CD1-CD1 4.11Å; I249-F300 HydrophobicContact CD1-CE1 3.68Å; I249-F300 HydrophobicContact CD1-CE2 4.47Å; I249-F300 HydrophobicContact CD1-CZ 3.87Å; I249-F300 WeakPolarHBondContact CD1-O 3.39Å; I249-F300 HydrophobicContact CG2-CE1 4.04Å; L284-F300 HydrophobicContact CD2-CD2 3.7Å; L284-F300 HydrophobicContact CD2-CE2 3.48Å; L284-F300 VanDerWaalsContact CD2-CE2 3.48Å; S287-F300 WeakPolarHBondContact OG-CA 3.3Å; S287-F300 WeakPolarHBondContact OG-CB 3.41Å; S287-F300 PolarHBondContact OG-N 3.24Å; S287-F300 VanDerWaalsContact OG-N 3.1Å; F296-F300 HydrophobicContact CD1-CB 4.42Å; F296-F300 HydrophobicContact CD2-CB 4.4Å; F296-F300 HydrophobicContact CE1-CB 4.14Å; F296-F300 HydrophobicContact CE1-CD1 4.5Å; F296-F300 HydrophobicContact CE1-CG 4.29Å; F296-F300 HydrophobicContact CE2-CB 4.12Å; F296-F300 HydrophobicContact CE2-CG 4.46Å; F296-F300 HydrophobicContact CZ-CB 3.98Å; F296-F300 HydrophobicContact CZ-CD2 4.22Å; F296-F300 AromaticContact CZ-CG 3.98Å; F296-F300 HydrophobicContact CZ-CG 3.98Å; F296-F300 WeakPolarHBondContact O-CA 3.05Å; F296-F300 WeakPolarHBondContact O-CB 3.41Å; F296-F300 PolarHBondContact O-N 2.9Å; F300-G304 WeakPolarHBondContact O-CA 3.38Å; F300-L362 HydrophobicContact CD2-CD2 3.9Å; F300-L362 HydrophobicContact CE2-CD2 3.6Å
301G95.2Very high94.8Very high0 Ų035.9 Ų35.90%019%0.191CC..Iπ-helixtrans-72.2-69.3179.800000112.4T297 G305T297-G301 CarbonylContact O-C 3.58Å; T297-G301 WeakPolarHBondContact O-CA 3.31Å; T297-G301 PolarHBondContact O-N 3.43Å; T297-G301 VanDerWaalsContact O-N 3.13Å; G301-G305 WeakPolarHBondContact O-CA 3.27Å; G301-G305 PolarHBondContact O-N 3.37Å
302L96Very high95Very high77 Ų7731.4 Ų31.440%0.40316%0.162SC..Iπ-helixtrans-68.9-61.3-170.4176.967000111.8L248 L252 T297 L298 G305 I306L248-L302 HydrophobicContact CD2-CB 4.05Å; L248-L302 VanDerWaalsContact CD2-N 3.28Å; L252-L302 HydrophobicContact CD1-CB 4.33Å; L252-L302 HydrophobicContact CD1-CD1 3.52Å; L252-L302 HydrophobicContact CD1-CG 4.46Å; T297-L302 PolarHBondContact O-N 3.49Å; L298-L302 HydrophobicContact CG-CD2 4.37Å; L298-L302 WeakPolarHBondContact O-CB 3.46Å; L298-L302 PolarHBondContact O-N 2.93Å; L302-G305 PolarHBondContact O-N 3.4Å; L302-I306 HydrophobicContact CD1-CD1 3.98Å; L302-I306 HydrophobicContact CG-CD1 4.13Å; L302-I306 WeakPolarHBondContact O-CD1 3.29Å; L302-I306 WeakPolarHBondContact O-CG1 3.43Å; L302-I306 PolarHBondContact O-N 3.25Å
303L96.5Very high94.8Very high61 Ų6128.7 Ų28.732%0.31915%0.145SC..Iπ-helixtrans-68.6-38.9-177.4-169.566.9000112.3I279 A283 L298 I306 G307I279-L303 HydrophobicContact CG2-CD1 3.8Å; I279-L303 HydrophobicContact CG2-CG 3.98Å; I279-L303 WeakPolarHBondContact CG2-O 3.49Å; A283-L303 HydrophobicContact CB-CB 4.15Å; A283-L303 HydrophobicContact CB-CD2 4.12Å; A283-L303 HydrophobicContact CB-CG 4Å; L298-L303 PolarHBondContact O-N 3.18Å; L303-I306 PolarHBondContact O-N 3.12Å; L303-G307 PolarHBondContact O-N 3.49Å
304G95.9Very high94.8Very high0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-62.5-45.617400000112.8T299 F300 I306 G307 L308T299-G304 PolarHBondContact O-N 3.44Å; F300-G304 WeakPolarHBondContact O-CA 3.38Å; G304-I306 PolarHBondContact O-N 3.02Å; G304-G307 PolarHBondContact O-N 3.44Å; G304-L308 WeakPolarHBondContact O-CB 3.32Å; G304-L308 WeakPolarHBondContact O-CG 3.37Å; G304-L308 PolarHBondContact O-N 3.01Å
305G95.8Very high94.7Very high0 Ų021.6 Ų21.60%011%0.111CC..Hα-helixtrans-64.3-38.8177.500000113Y253 G301 L302 S309Y253-G305 WeakPolarHBondContact CA-O 3.33Å; Y253-G305 PolarHBondContact N-O 3.36Å; G301-G305 WeakPolarHBondContact O-CA 3.27Å; G301-G305 PolarHBondContact O-N 3.37Å; L302-G305 PolarHBondContact O-N 3.4Å; G305-S309 PolarHBondContact O-N 2.95Å
306I96.2Very high94.3Very high47 Ų4718.4 Ų18.424%0.24110%0.096CC..Hα-helixtrans-59.5-52.1170.9-66.4161.2000110.3L256 L302 L303 G304 L308 S309 F310L256-I306 HydrophobicContact CD1-CB 4.29Å; L256-I306 HydrophobicContact CD1-CG1 3.87Å; L256-I306 HydrophobicContact CD1-CG2 4.2Å; L302-I306 HydrophobicContact CD1-CD1 3.98Å; L302-I306 HydrophobicContact CG-CD1 4.13Å; L302-I306 WeakPolarHBondContact O-CD1 3.29Å; L302-I306 WeakPolarHBondContact O-CG1 3.43Å; L302-I306 PolarHBondContact O-N 3.25Å; L303-I306 PolarHBondContact O-N 3.12Å; G304-I306 PolarHBondContact O-N 3.02Å; I306-L308 PolarHBondContact O-N 3.31Å; I306-S309 WeakPolarHBondContact O-CB 3.41Å; I306-S309 PolarHBondContact O-N 2.87Å; I306-F310 HydrophobicContact CG2-CD2 4.49Å; I306-F310 HydrophobicContact CG2-CE2 4.3Å; I306-F310 VanDerWaalsContact O-CD2 3.3Å; I306-F310 WeakPolarHBondContact O-CD2 3.33Å; I306-F310 PolarHBondContact O-N 3.42Å
307G95.9Very high93.8Very high0 Ų019.3 Ų19.30%010%0.104CC..Hα-helixtrans-58.7-44.8179.800000113.1G276 T280 L303 G304 S309 F310 I311G276-G307 CarbonylContact C-O 3.56Å; G276-G307 WeakPolarHBondContact CA-O 3.45Å; T280-G307 WeakPolarHBondContact OG1-CA 3.35Å; T280-G307 PolarHBondContact OG1-O 3.34Å; L303-G307 PolarHBondContact O-N 3.49Å; G304-G307 PolarHBondContact O-N 3.44Å; G307-S309 PolarHBondContact O-N 3.48Å; G307-F310 PolarHBondContact O-N 3.24Å; G307-I311 PolarHBondContact O-N 2.69Å
308L95.5Very high93.4Very high3 Ų318.3 Ų18.32%0.01610%0.098CC..Hα-helixtrans-66.8-33.6178.2-70.1178.1000112.6V170 I249 T280 G304 I306 F310 I311 Y312V170-L308 HydrophobicContact CB-CD2 4.34Å; V170-L308 HydrophobicContact CG1-CB 4.33Å; V170-L308 HydrophobicContact CG1-CD2 4.28Å; V170-L308 HydrophobicContact CG2-CD2 3.98Å; I249-L308 HydrophobicContact CD1-CD1 3.63Å; I249-L308 HydrophobicContact CG1-CD1 3.74Å; T280-L308 HydrophobicContact CG2-CD2 3.61Å; T280-L308 HydrophobicContact CG2-CG 4.04Å; T280-L308 PolarHBondContact OG1-N 3.45Å; G304-L308 WeakPolarHBondContact O-CB 3.32Å; G304-L308 WeakPolarHBondContact O-CG 3.37Å; G304-L308 PolarHBondContact O-N 3.01Å; I306-L308 PolarHBondContact O-N 3.31Å; L308-F310 VanDerWaalsContact C-N 3.28Å; L308-F310 PolarHBondContact O-N 2.87Å; L308-I311 HydrophobicContact CD2-CD1 4.32Å; L308-I311 PolarHBondContact O-N 2.86Å; L308-I311 VanDerWaalsContact O-N 3.1Å; L308-Y312 WeakPolarHBondContact O-CB 3.45Å; L308-Y312 PolarHBondContact O-N 3.27Å
309S94.3Very high93Very high0 Ų014.1 Ų14.10%08%0.076CC..Hα-helixtrans-57.4-45.5175.3-159.40000111.5Y253 V260 G305 I306 G307 I311 Y312 L313Y253-S309 WeakPolarHBondContact O-CA 3.45Å; Y253-S309 VanDerWaalsContact O-CB 3.31Å; Y253-S309 WeakPolarHBondContact O-CB 3.49Å; Y253-S309 PolarHBondContact O-OG 2.8Å; V260-S309 WeakPolarHBondContact CG2-OG 3.41Å; G305-S309 PolarHBondContact O-N 2.95Å; I306-S309 WeakPolarHBondContact O-CB 3.41Å; I306-S309 PolarHBondContact O-N 2.87Å; G307-S309 PolarHBondContact O-N 3.48Å; S309-I311 PolarHBondContact O-N 3.39Å; S309-Y312 PolarHBondContact O-N 3.22Å; S309-L313 PolarHBondContact O-N 3.48Å
310F94.2Very high92.2Very high25 Ų2514 Ų1411%0.118%0.077CC..Hα-helixtrans-66-20.8180-83-119.1000112.5V260 L263 V272 A273 I275 G276 I306 G307 L308 P314V260-F310 HydrophobicContact CG2-CD2 3.53Å; V260-F310 HydrophobicContact CG2-CE2 3.7Å; V260-F310 HydrophobicContact CG2-CG 4.15Å; V260-F310 HydrophobicContact CG2-CZ 4.43Å; L263-F310 HydrophobicContact CD1-CE1 3.73Å; L263-F310 HydrophobicContact CD1-CZ 3.6Å; V272-F310 HydrophobicContact CG1-CB 4.42Å; V272-F310 HydrophobicContact CG1-CD1 3.64Å; V272-F310 HydrophobicContact CG1-CE1 4.23Å; V272-F310 HydrophobicContact CG1-CG 4.24Å; A273-F310 VanDerWaalsContact CA-O 3.25Å; A273-F310 WeakPolarHBondContact CA-O 3.25Å; I275-F310 HydrophobicContact CG2-CD1 4.3Å; G276-F310 VanDerWaalsContact CA-CB 3.41Å; I306-F310 HydrophobicContact CG2-CD2 4.49Å; I306-F310 HydrophobicContact CG2-CE2 4.3Å; I306-F310 VanDerWaalsContact O-CD2 3.3Å; I306-F310 WeakPolarHBondContact O-CD2 3.33Å; I306-F310 PolarHBondContact O-N 3.42Å; G307-F310 PolarHBondContact O-N 3.24Å; L308-F310 VanDerWaalsContact C-N 3.28Å; L308-F310 PolarHBondContact O-N 2.87Å; F310-P314 VanDerWaalsContact O-CD 3.24Å; F310-P314 WeakPolarHBondContact O-CD 3.33Å; F310-P314 WeakPolarHBondContact O-CG 3.42Å
311I95Very high91.5Very high2 Ų218.9 Ų18.91%0.0110%0.099CC..Hα-helixtrans-88.2-45.9171.2-54.1172.8000111C166 V170 A277 G307 L308 S309 A315C166-I311 HydrophobicContact CB-CG2 3.99Å; V170-I311 HydrophobicContact CG2-CB 4.05Å; V170-I311 HydrophobicContact CG2-CG2 3.78Å; A277-I311 HydrophobicContact CB-CD1 4.24Å; G307-I311 PolarHBondContact O-N 2.69Å; L308-I311 HydrophobicContact CD2-CD1 4.32Å; L308-I311 PolarHBondContact O-N 2.86Å; L308-I311 VanDerWaalsContact O-N 3.1Å; S309-I311 PolarHBondContact O-N 3.39Å; I311-A315 VanDerWaalsContact O-CB 3.3Å; I311-A315 WeakPolarHBondContact O-CB 3.21Å; I311-A315 PolarHBondContact O-N 3.23Å
312Y92.1Very high90.9Very high12 Ų1219.5 Ų19.55%0.04710%0.102CC..Hα-helixtrans-59.8-55.9-170.9-180-100.1000112.9M167 V170 Y253 L254 L308 S309 A315 I316 L1295M167-Y312 HydrophobicContact CE-CD2 3.53Å; M167-Y312 HydrophobicContact CE-CE2 3.97Å; M167-Y312 HydrophobicContact CE-CG 4.16Å; M167-Y312 WeakPolarHBondContact CE-O 3.36Å; M167-Y312 HydrophobicContact SD-CD2 3.88Å; M167-Y312 HydrophobicContact SD-CE2 3.82Å; V170-Y312 HydrophobicContact CG1-CD2 4.02Å; Y253-Y312 AromaticContact CD2-CD1 3.85Å; Y253-Y312 HydrophobicContact CD2-CD1 3.85Å; Y253-Y312 AromaticContact CD2-CD2 3.91Å; Y253-Y312 HydrophobicContact CD2-CD2 3.91Å; Y253-Y312 HydrophobicContact CD2-CE1 4.3Å; Y253-Y312 HydrophobicContact CD2-CE2 4.35Å; Y253-Y312 AromaticContact CD2-CG 3.64Å; Y253-Y312 HydrophobicContact CD2-CG 3.64Å; Y253-Y312 AromaticContact CE2-CD1 3.88Å; Y253-Y312 HydrophobicContact CE2-CD1 3.88Å; Y253-Y312 AromaticContact CE2-CD2 3.51Å; Y253-Y312 HydrophobicContact CE2-CD2 3.51Å; Y253-Y312 AromaticContact CE2-CE1 3.91Å; Y253-Y312 HydrophobicContact CE2-CE1 3.91Å; Y253-Y312 AromaticContact CE2-CE2 3.54Å; Y253-Y312 HydrophobicContact CE2-CE2 3.54Å; Y253-Y312 AromaticContact CE2-CG 3.69Å; Y253-Y312 HydrophobicContact CE2-CG 3.69Å; Y253-Y312 AromaticContact CE2-CZ 3.74Å; L254-Y312 HydrophobicContact CD2-CE1 4.04Å; L308-Y312 WeakPolarHBondContact O-CB 3.45Å; L308-Y312 PolarHBondContact O-N 3.27Å; S309-Y312 PolarHBondContact O-N 3.22Å; Y312-A315 PolarHBondContact O-N 2.93Å; Y312-I316 HydrophobicContact CD1-CD1 4.19Å; Y312-I316 HydrophobicContact CD2-CD1 4.25Å; Y312-I316 HydrophobicContact CE1-CD1 3.62Å; Y312-I316 HydrophobicContact CE2-CD1 3.69Å; Y312-I316 HydrophobicContact CG-CD1 4.48Å; Y312-I316 PolarHBondContact O-N 3.08Å; Y312-L1295 HydrophobicContact CE1-CD2 4.39Å
313L89.8Confident90.3Very high11 Ų1116 Ų166%0.0588%0.083CC..Hα-helixtrans-68.5-44.3-172.6-173.7151.6000112.2G257 V260 S309 A315 I316 A317 L1295G257-L313 WeakPolarHBondContact O-CD1 3.5Å; V260-L313 HydrophobicContact CB-CB 4.34Å; V260-L313 HydrophobicContact CB-CD1 4.48Å; V260-L313 HydrophobicContact CG1-CB 3.94Å; V260-L313 HydrophobicContact CG1-CD2 4.23Å; S309-L313 PolarHBondContact O-N 3.48Å; L313-A315 VanDerWaalsContact C-N 3.32Å; L313-A315 PolarHBondContact O-N 2.87Å; L313-I316 PolarHBondContact O-N 3.5Å; L313-A317 HydrophobicContact CD2-CB 4.3Å; L313-A317 WeakPolarHBondContact O-CB 3.31Å; L313-A317 PolarHBondContact O-N 3.37Å; L313-L1295 HydrophobicContact CD1-CD1 3.95Å
314P90.8Very high89.3Confident0 Ų019 Ų190%010%0.095CC..Hα-helixtrans-61.7-36.2174.5-29.440.5000113.9V260 F269 V272 A273 F310 I316 A317 T318V260-P314 HydrophobicContact CG1-CG 4.07Å; F269-P314 HydrophobicContact CB-CB 3.98Å; F269-P314 HydrophobicContact CD1-CB 4.12Å; F269-P314 WeakPolarHBondContact O-CB 3.29Å; V272-P314 HydrophobicContact CB-CG 4.36Å; V272-P314 HydrophobicContact CG1-CG 3.95Å; A273-P314 HydrophobicContact CB-CB 4.12Å; A273-P314 HydrophobicContact CB-CG 4.45Å; F310-P314 VanDerWaalsContact O-CD 3.24Å; F310-P314 WeakPolarHBondContact O-CD 3.33Å; F310-P314 WeakPolarHBondContact O-CG 3.42Å; P314-I316 PolarHBondContact O-N 3.05Å; P314-A317 PolarHBondContact O-N 3.37Å; P314-T318 WeakPolarHBondContact O-CB 3.2Å; P314-T318 VanDerWaalsContact O-CG2 3.24Å; P314-T318 WeakPolarHBondContact O-CG2 3.34Å; P314-T318 PolarHBondContact O-N 2.91Å; P314-T318 PolarHBondContact O-OG1 3.46Å
315A91.6Very high88.4Confident0 Ų026.1 Ų26.10%013%0.129CC..Hα-helixtrans-62.9-41.5177.100000112.3S163 C166 M167 I311 Y312 L313 T318 F379S163-A315 WeakPolarHBondContact CB-O 3.3Å; S163-A315 PolarHBondContact OG-O 3.31Å; C166-A315 HydrophobicContact CB-CB 4.12Å; M167-A315 HydrophobicContact CE-CB 3.65Å; I311-A315 VanDerWaalsContact O-CB 3.3Å; I311-A315 WeakPolarHBondContact O-CB 3.21Å; I311-A315 PolarHBondContact O-N 3.23Å; Y312-A315 PolarHBondContact O-N 2.93Å; L313-A315 VanDerWaalsContact C-N 3.32Å; L313-A315 PolarHBondContact O-N 2.87Å; A315-T318 PolarHBondContact O-OG1 2.93Å; A315-F379 HydrophobicContact CB-CE2 4.14Å; A315-F379 HydrophobicContact CB-CZ 3.81Å
316I86.9Confident87.6Confident18 Ų1830.5 Ų30.59%0.09215%0.148CC..Hα-helixtrans-74.4-45.8175.5-69.2163.8000111.2M167 Y312 L313 P314 T318 G320 L335M167-I316 HydrophobicContact CE-CD1 3.92Å; M167-I316 HydrophobicContact CE-CG1 3.72Å; M167-I316 HydrophobicContact SD-CD1 4.19Å; M167-I316 HydrophobicContact SD-CG1 4.22Å; Y312-I316 HydrophobicContact CD1-CD1 4.19Å; Y312-I316 HydrophobicContact CD2-CD1 4.25Å; Y312-I316 HydrophobicContact CE1-CD1 3.62Å; Y312-I316 HydrophobicContact CE2-CD1 3.69Å; Y312-I316 HydrophobicContact CG-CD1 4.48Å; Y312-I316 PolarHBondContact O-N 3.08Å; L313-I316 PolarHBondContact O-N 3.5Å; P314-I316 PolarHBondContact O-N 3.05Å; I316-T318 PolarHBondContact O-N 3.23Å; I316-G320 PolarHBondContact O-N 3.47Å; I316-L335 HydrophobicContact CD1-CD2 3.8Å; I316-L335 HydrophobicContact CG1-CD2 3.97Å
317A84.5Confident86.8Confident22 Ų2231.5 Ų31.518%0.18215%0.149CC..Hα-helixtrans-67-38.8-173.100000112.8F269 L313 P314 G320 H321F269-A317 HydrophobicContact CD1-CB 3.98Å; F269-A317 HydrophobicContact CE1-CB 3.39Å; F269-A317 HydrophobicContact CZ-CB 4.02Å; L313-A317 HydrophobicContact CD2-CB 4.3Å; L313-A317 WeakPolarHBondContact O-CB 3.31Å; L313-A317 PolarHBondContact O-N 3.37Å; P314-A317 PolarHBondContact O-N 3.37Å; A317-G320 PolarHBondContact O-N 3.46Å; A317-H321 PolarHBondContact O-ND1 3.3Å
318T87.4Confident86.1Confident6 Ų632.6 Ų32.64%0.03716%0.156CC..Hα-helixtrans-56.8-53.7176.444.60000111.9F269 P314 A315 I316 G320 H321 F379F269-T318 HydrophobicContact CB-CG2 3.3Å; F269-T318 HydrophobicContact CD1-CG2 4.22Å; F269-T318 HydrophobicContact CD2-CG2 3.64Å; F269-T318 HydrophobicContact CG-CG2 3.44Å; F269-T318 VanDerWaalsContact CG-CG2 3.44Å; P314-T318 WeakPolarHBondContact O-CB 3.2Å; P314-T318 VanDerWaalsContact O-CG2 3.24Å; P314-T318 WeakPolarHBondContact O-CG2 3.34Å; P314-T318 PolarHBondContact O-N 2.91Å; P314-T318 PolarHBondContact O-OG1 3.46Å; A315-T318 PolarHBondContact O-OG1 2.93Å; I316-T318 PolarHBondContact O-N 3.23Å; T318-G320 PolarHBondContact O-N 3.45Å; T318-H321 PolarHBondContact O-N 3.45Å; T318-F379 HydrophobicContact CG2-CB 4.36Å; T318-F379 HydrophobicContact CG2-CG 4.32Å
319V87.9Confident85.6Confident0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-54.3-39.8-179.7174.90000111.5V159 V160 H321 W322 A330 V331 A334V159-V319 HydrophobicContact CG1-CG2 4.15Å; V160-V319 HydrophobicContact CG2-CG1 3.69Å; V160-V319 HydrophobicContact CG2-CG2 4.14Å; V319-H321 PolarHBondContact O-N 3.49Å; V319-H321 VanDerWaalsContact O-N 3.12Å; V319-W322 PolarHBondContact O-N 3.05Å; V319-W322 VanDerWaalsContact O-N 3.16Å; V319-A330 HydrophobicContact CG1-CB 3.96Å; V319-V331 HydrophobicContact CG1-CG2 3.97Å; V319-A334 HydrophobicContact CG1-CB 4.38Å; V319-A334 HydrophobicContact CG2-CB 4.02Å
320G79.6Confident85.4Confident9 Ų934 Ų349%0.09316%0.163CC..Hα-helixtrans-65.5-6.9177.600000116.2I316 A317 T318 R327I316-G320 PolarHBondContact O-N 3.47Å; A317-G320 PolarHBondContact O-N 3.46Å; T318-G320 PolarHBondContact O-N 3.45Å; G320-R327 VanDerWaalsContact O-CZ 3.26Å; G320-R327 PolarHBondContact O-NE 3.09Å; G320-R327 PolarHBondContact O-NH2 3.19Å
321H80.7Confident85.1Confident104 Ų10433.7 Ų33.748%0.48116%0.163SC..Hα-helixtrans-103.7-15.9173.7-67.982.9000113.4F269 A317 T318 V319F269-H321 AromaticContact CZ-CE1 3.66Å; A317-H321 PolarHBondContact O-ND1 3.3Å; T318-H321 PolarHBondContact O-N 3.45Å; V319-H321 PolarHBondContact O-N 3.49Å; V319-H321 VanDerWaalsContact O-N 3.12Å
322W83.5Confident84.7Confident13 Ų1333.6 Ų33.65%0.04916%0.163CC..Hα-helixtrans-90.5-9-175.4-82.984.7000114.7W155 G156 V159 V319 H385W155-W322 HydrophobicContact CB-CH2 3.7Å; W155-W322 HydrophobicContact CB-CZ3 3.72Å; W155-W322 AromaticContact CD1-CH2 3.56Å; W155-W322 AromaticContact CD1-CZ2 3.86Å; W155-W322 AromaticContact CG-CH2 3.98Å; W155-W322 HydrophobicContact CG-CH2 3.98Å; W155-W322 HydrophobicContact CG-CZ3 4.44Å; G156-W322 VanDerWaalsContact CA-CE3 3.42Å; G156-W322 VanDerWaalsContact N-CE3 3.34Å; V159-W322 HydrophobicContact CG2-CD2 4.37Å; V159-W322 HydrophobicContact CG2-CZ2 4.1Å; V319-W322 PolarHBondContact O-N 3.05Å; V319-W322 VanDerWaalsContact O-N 3.16Å; W322-H385 HydrophobicContact CH2-CB 3.49Å; W322-H385 VanDerWaalsContact CH2-CB 3.49Å; W322-H385 AromaticContact CH2-CD2 3.49Å; W322-H385 VanDerWaalsContact CH2-CD2 3.49Å; W322-H385 WeakPolarHBondContact CH2-CD2 3.42Å; W322-H385 AromaticContact CH2-CG 3.33Å; W322-H385 AromaticContact CH2-ND1 3.9Å; W322-H385 HydrophobicContact CZ2-CB 4.1Å; W322-H385 HydrophobicContact CZ3-CB 4.32Å; W322-H385 AromaticContact CZ3-CD2 3.44Å; W322-H385 VanDerWaalsContact CZ3-CD2 3.44Å; W322-H385 WeakPolarHBondContact CZ3-CD2 3.4Å; W322-H385 AromaticContact CZ3-CG 3.82Å; W322-H385 AromaticContact CZ3-NE2 3.89Å
323F83.3Confident84.7Confident3 Ų335.6 Ų35.61%0.01317%0.174CC..  trans-137.7137.2-175.3-65.2-91.8000111.3D152 W157 V160 K326 R327 A330D152-F323 HydrophobicContact CB-CD1 3.93Å; D152-F323 HydrophobicContact CB-CE1 4.48Å; D152-F323 WeakPolarHBondContact OD1-CA 3.39Å; W157-F323 HydrophobicContact CD2-CE1 4.17Å; W157-F323 AromaticContact CD2-CZ 3.78Å; W157-F323 HydrophobicContact CD2-CZ 3.78Å; W157-F323 AromaticContact CE2-CE1 3.67Å; W157-F323 AromaticContact CE2-CZ 3.79Å; W157-F323 HydrophobicContact CE3-CZ 4.11Å; W157-F323 HydrophobicContact CG-CZ 4.16Å; W157-F323 HydrophobicContact CH2-CE1 4.26Å; W157-F323 HydrophobicContact CH2-CZ 4.43Å; W157-F323 AromaticContact CZ2-CE1 3.73Å; W157-F323 HydrophobicContact CZ2-CE1 3.73Å; W157-F323 HydrophobicContact CZ2-CZ 4.14Å; W157-F323 HydrophobicContact CZ3-CZ 4.41Å; W157-F323 AromaticContact NE1-CE1 3.92Å; V160-F323 HydrophobicContact CG2-CE2 3.65Å; V160-F323 HydrophobicContact CG2-CZ 4.19Å; F323-K326 HydrophobicContact CD1-CB 4.49Å; F323-R327 HydrophobicContact CB-CB 4.45Å; F323-R327 WeakPolarHBondContact O-CB 3.45Å; F323-R327 WeakPolarHBondContact O-CG 3.39Å; F323-A330 HydrophobicContact CB-CB 4.1Å; F323-A330 HydrophobicContact CD1-CB 4.05Å; F323-A330 HydrophobicContact CD2-CB 3.37Å; F323-A330 HydrophobicContact CE1-CB 4.33Å; F323-A330 HydrophobicContact CE2-CB 3.7Å; F323-A330 HydrophobicContact CG-CB 3.57Å; F323-A330 HydrophobicContact CZ-CB 4.16Å
324Q75.2Confident84.9Confident123 Ų12335.2 Ų35.258%0.57517%0.172SC*.SBendtrans-107.9-59.4178.1-67.8-169.20.400112.6D152D152-Q324 PolarHBondContact OD1-N 3.27Å
325Q75.5Confident84.9Confident150 Ų15035.6 Ų35.670%0.70117%0.174SC*.SBendtrans-77.1-52.5-179.6-58.4179.4-24.900110.2D152 R327D152-Q325 WeakPolarHBondContact OD2-CA 3.47Å; D152-Q325 VanDerWaalsContact OD2-CB 3.31Å; D152-Q325 WeakPolarHBondContact OD2-CB 3.37Å; D152-Q325 PolarHBondContact OD2-N 3.5Å; Q325-R327 PolarHBondContact O-N 3.33Å; Q325-R327 VanDerWaalsContact O-N 3.11Å
326K80.3Confident85Confident93 Ų9335.8 Ų35.840%0.40418%0.176SC..SBendtrans-8321.7-178.5-56.2-158.4175.2-158.90113.5D152 F323 L329 A330D152-K326 PolarHBondContact OD2-N 3.34Å; F323-K326 HydrophobicContact CD1-CB 4.49Å; K326-L329 PolarHBondContact O-N 3.25Å; K326-A330 WeakPolarHBondContact O-CB 3.35Å; K326-A330 PolarHBondContact O-N 3.07Å
327R79.1Confident85.3Confident68 Ų6834.9 Ų34.926%0.25717%0.171SC..Hα-helixtrans-57.7-42.4-178.7-161.9-179.2-167.2-146.35.7113.4G320 F323 Q325 V331G320-R327 VanDerWaalsContact O-CZ 3.26Å; G320-R327 PolarHBondContact O-NE 3.09Å; G320-R327 PolarHBondContact O-NH2 3.19Å; F323-R327 HydrophobicContact CB-CB 4.45Å; F323-R327 WeakPolarHBondContact O-CB 3.45Å; F323-R327 WeakPolarHBondContact O-CG 3.39Å; Q325-R327 PolarHBondContact O-N 3.33Å; Q325-R327 VanDerWaalsContact O-N 3.11Å; R327-V331 WeakPolarHBondContact O-CB 3.34Å; R327-V331 WeakPolarHBondContact O-CG2 3.33Å; R327-V331 PolarHBondContact O-N 2.85Å; R327-V331 VanDerWaalsContact O-N 3.08Å
328P81Confident85.7Confident22 Ų2233.9 Ų33.914%0.14316%0.163CC..Hα-helixtrans-64.4-40.1176.2-21.134.3000112.6G332 I1215 I1276P328-G332 WeakPolarHBondContact O-CA 3.28Å; P328-G332 PolarHBondContact O-N 3.3Å; P328-I1215 HydrophobicContact CB-CG2 4.35Å; P328-I1276 HydrophobicContact CB-CD1 4.31Å
329L86.2Confident86Confident33 Ų3333.6 Ų33.617%0.17316%0.161CC..Hα-helixtrans-66.7-48177.7-179.568.7000111.6W157 K326 G332 L333 E1216W157-L329 HydrophobicContact CH2-CD2 4.31Å; K326-L329 PolarHBondContact O-N 3.25Å; L329-G332 PolarHBondContact O-N 3.07Å; L329-L333 HydrophobicContact CD1-CD1 3.98Å; L329-L333 HydrophobicContact CD1-CG 4.26Å; L329-L333 HydrophobicContact CD2-CD1 4.47Å; L329-L333 HydrophobicContact CG-CD1 3.87Å; L329-L333 HydrophobicContact CG-CG 4.49Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 WeakPolarHBondContact O-CG 3.44Å; L329-L333 PolarHBondContact O-N 2.9Å; L329-E1216 WeakPolarHBondContact CB-OE2 3.47Å; L329-E1216 WeakPolarHBondContact CD2-OE2 3.3Å
330A89Confident86.3Confident0 Ų036.3 Ų36.30%017%0.174CC..Hα-helixtrans-64.9-46.8-177.900000112.4V160 V319 F323 K326 G332 L333 A334V160-A330 HydrophobicContact CG2-CB 4.04Å; V319-A330 HydrophobicContact CG1-CB 3.96Å; F323-A330 HydrophobicContact CB-CB 4.1Å; F323-A330 HydrophobicContact CD1-CB 4.05Å; F323-A330 HydrophobicContact CD2-CB 3.37Å; F323-A330 HydrophobicContact CE1-CB 4.33Å; F323-A330 HydrophobicContact CE2-CB 3.7Å; F323-A330 HydrophobicContact CG-CB 3.57Å; F323-A330 HydrophobicContact CZ-CB 4.16Å; K326-A330 WeakPolarHBondContact O-CB 3.35Å; K326-A330 PolarHBondContact O-N 3.07Å; A330-G332 VanDerWaalsContact C-N 3.31Å; A330-L333 PolarHBondContact O-N 3.34Å; A330-A334 PolarHBondContact O-N 3.41Å; A330-A334 VanDerWaalsContact O-N 3.07Å
331V86.9Confident87Confident18 Ų1836 Ų3611%0.10917%0.171CC..Hα-helixtrans-64.8-38.6174.3174.40000110.5V319 R327 A334 L335V319-V331 HydrophobicContact CG1-CG2 3.97Å; R327-V331 WeakPolarHBondContact O-CB 3.34Å; R327-V331 WeakPolarHBondContact O-CG2 3.33Å; R327-V331 PolarHBondContact O-N 2.85Å; R327-V331 VanDerWaalsContact O-N 3.08Å; V331-A334 PolarHBondContact O-N 3.11Å; V331-L335 HydrophobicContact CG1-CD1 3.87Å; V331-L335 HydrophobicContact CG1-CG 4.39Å; V331-L335 VanDerWaalsContact O-CB 3.29Å; V331-L335 WeakPolarHBondContact O-CB 3.44Å; V331-L335 VanDerWaalsContact O-CG 3.28Å; V331-L335 WeakPolarHBondContact O-CG 3.43Å; V331-L335 PolarHBondContact O-N 2.91Å
332G88.7Confident87.7Confident1 Ų131.2 Ų31.21%0.0115%0.149CC..Hα-helixtrans-57.2-53.1173.700000113.8P328 L329 A330 A334 L335 C336 T1212P328-G332 WeakPolarHBondContact O-CA 3.28Å; P328-G332 PolarHBondContact O-N 3.3Å; L329-G332 PolarHBondContact O-N 3.07Å; A330-G332 VanDerWaalsContact C-N 3.31Å; G332-A334 PolarHBondContact O-N 3.21Å; G332-L335 CarbonylContact O-C 3.6Å; G332-L335 WeakPolarHBondContact O-CA 3.32Å; G332-L335 WeakPolarHBondContact O-CB 3.46Å; G332-L335 PolarHBondContact O-N 3.35Å; G332-L335 VanDerWaalsContact O-N 3.12Å; G332-C336 PolarHBondContact O-N 3.28Å; G332-C336 PolarHBondContact O-SG 3.25Å; G332-T1212 VanDerWaalsContact CA-CG2 3.42Å
333L92.1Very high88.3Confident54 Ų5433.3 Ų33.328%0.28316%0.161SC..Hα-helixtrans-62.6-40178.8-76.8167000112.3W157 V160 F164 L329 A330 C336 L1209W157-L333 HydrophobicContact CH2-CD1 4.14Å; W157-L333 HydrophobicContact CZ3-CD1 3.73Å; V160-L333 HydrophobicContact CG1-CB 4.08Å; F164-L333 WeakPolarHBondContact CD2-O 3.49Å; L329-L333 HydrophobicContact CD1-CD1 3.98Å; L329-L333 HydrophobicContact CD1-CG 4.26Å; L329-L333 HydrophobicContact CD2-CD1 4.47Å; L329-L333 HydrophobicContact CG-CD1 3.87Å; L329-L333 HydrophobicContact CG-CG 4.49Å; L329-L333 WeakPolarHBondContact O-CB 3.47Å; L329-L333 WeakPolarHBondContact O-CG 3.44Å; L329-L333 PolarHBondContact O-N 2.9Å; A330-L333 PolarHBondContact O-N 3.34Å; L333-C336 WeakPolarHBondContact O-CB 3.46Å; L333-C336 PolarHBondContact O-N 2.63Å; L333-L1209 HydrophobicContact CD2-CD2 3.59Å
334A92.7Very high88.9Confident2 Ų237.1 Ų37.12%0.01718%0.181CC..Hα-helixtrans-61.1-45.4171.100000111.5V160 V319 A330 V331 G332 C336 G337V160-A334 HydrophobicContact CG1-CB 4.4Å; V319-A334 HydrophobicContact CG1-CB 4.38Å; V319-A334 HydrophobicContact CG2-CB 4.02Å; A330-A334 PolarHBondContact O-N 3.41Å; A330-A334 VanDerWaalsContact O-N 3.07Å; V331-A334 PolarHBondContact O-N 3.11Å; G332-A334 PolarHBondContact O-N 3.21Å; A334-C336 VanDerWaalsContact C-N 3.3Å; A334-C336 PolarHBondContact O-N 2.89Å; A334-G337 PolarHBondContact O-N 3.26Å; A334-G337 VanDerWaalsContact O-N 3.15Å
335L91Very high89.8Confident8 Ų831.7 Ų31.74%0.04216%0.158CC..Hα-helixtrans-68-20.5177.3-77.1175.4000114.1M167 I316 V331 G332 G337 S338 R1208M167-L335 HydrophobicContact SD-CD2 4.38Å; I316-L335 HydrophobicContact CD1-CD2 3.8Å; I316-L335 HydrophobicContact CG1-CD2 3.97Å; V331-L335 HydrophobicContact CG1-CD1 3.87Å; V331-L335 HydrophobicContact CG1-CG 4.39Å; V331-L335 VanDerWaalsContact O-CB 3.29Å; V331-L335 WeakPolarHBondContact O-CB 3.44Å; V331-L335 VanDerWaalsContact O-CG 3.28Å; V331-L335 WeakPolarHBondContact O-CG 3.43Å; V331-L335 PolarHBondContact O-N 2.91Å; G332-L335 CarbonylContact O-C 3.6Å; G332-L335 WeakPolarHBondContact O-CA 3.32Å; G332-L335 WeakPolarHBondContact O-CB 3.46Å; G332-L335 PolarHBondContact O-N 3.35Å; G332-L335 VanDerWaalsContact O-N 3.12Å; L335-G337 PolarHBondContact O-N 3.34Å; L335-G337 VanDerWaalsContact O-N 3.14Å; L335-S338 PolarHBondContact O-N 3.1Å; L335-S338 PolarHBondContact O-OG 3.21Å; L335-R1208 VanDerWaalsContact O-CD 3.31Å; L335-R1208 WeakPolarHBondContact O-CD 3.39Å; L335-R1208 PolarHBondContact O-NH1 3.04Å
336C93.7Very high90.7Very high4 Ų424.6 Ų24.63%0.02713%0.125CC..THydrogen-bonded Turntrans-60-18.9170.5-70.60000112.7F164 G332 L333 A334 S338 G339 M340 T1205 R1208F164-C336 HydrophobicContact CD2-CB 4.44Å; F164-C336 HydrophobicContact CE2-CB 4.2Å; G332-C336 PolarHBondContact O-N 3.28Å; G332-C336 PolarHBondContact O-SG 3.25Å; L333-C336 WeakPolarHBondContact O-CB 3.46Å; L333-C336 PolarHBondContact O-N 2.63Å; A334-C336 VanDerWaalsContact C-N 3.3Å; A334-C336 PolarHBondContact O-N 2.89Å; C336-S338 PolarHBondContact O-N 2.7Å; C336-G339 PolarHBondContact O-N 2.57Å; C336-M340 PolarHBondContact O-N 3.23Å; C336-T1205 HydrophobicContact CB-CG2 4.41Å; C336-R1208 VanDerWaalsContact SG-CB 3.56Å
337G92.4Very high91.4Very high0 Ų022.8 Ų22.80%012%0.118CC..Hα-helixtrans-55.3-36.9176.100000113.1F164 V168 A334 L335 G339 M340 G341F164-G337 VanDerWaalsContact CD2-N 3.27Å; F164-G337 VanDerWaalsContact CE2-CA 3.48Å; V168-G337 VanDerWaalsContact CA-O 3.24Å; V168-G337 WeakPolarHBondContact CA-O 2.88Å; V168-G337 VanDerWaalsContact CG2-O 3.26Å; V168-G337 WeakPolarHBondContact CG2-O 3.34Å; V168-G337 PolarHBondContact N-O 3.41Å; A334-G337 PolarHBondContact O-N 3.26Å; A334-G337 VanDerWaalsContact O-N 3.15Å; L335-G337 PolarHBondContact O-N 3.34Å; L335-G337 VanDerWaalsContact O-N 3.14Å; G337-G339 PolarHBondContact O-N 3.4Å; G337-M340 CarbonylContact O-C 2.68Å; G337-M340 PolarHBondContact O-N 3.19Å; G337-G341 PolarHBondContact O-N 2.82Å
338S93.5Very high92.1Very high1 Ų121.1 Ų21.11%0.00712%0.119CC..Hα-helixtrans-65.8-38.6-18072.80000113.2D171 L335 C336 G341 C342 R1208D171-S338 VanDerWaalsContact CB-CB 3.41Å; D171-S338 WeakPolarHBondContact OD2-CB 3.31Å; L335-S338 PolarHBondContact O-N 3.1Å; L335-S338 PolarHBondContact O-OG 3.21Å; C336-S338 PolarHBondContact O-N 2.7Å; S338-G341 PolarHBondContact O-N 3.5Å; S338-C342 PolarHBondContact O-N 3.08Å; S338-C342 PolarHBondContact O-SG 3.08Å; S338-R1208 PolarHBondContact OG-NH1 3.16Å; S338-R1208 PolarHBondContact OG-NH2 2.93Å
339G92.9Very high92.8Very high0 Ų020.2 Ų20.20%011%0.113CC..Hα-helixtrans-66.3-42.5177.300000110.9C336 G337 G341 C342 L343 G1201 T1205C336-G339 PolarHBondContact O-N 2.57Å; G337-G339 PolarHBondContact O-N 3.4Å; G339-G341 VanDerWaalsContact C-N 3.3Å; G339-G341 PolarHBondContact O-N 3.44Å; G339-C342 PolarHBondContact O-N 2.8Å; G339-L343 WeakPolarHBondContact O-CB 3.04Å; G339-L343 PolarHBondContact O-N 3.49Å; G339-G1201 CarbonylContact C-O 3.28Å; G339-G1201 WeakPolarHBondContact CA-O 3.48Å; G339-G1201 CarbonylContact O-C 3.55Å; G339-G1201 VanDerWaalsContact O-C 3.29Å; G339-G1201 WeakPolarHBondContact O-CA 3.45Å; G339-T1205 WeakPolarHBondContact CA-OG1 3.27Å
340M95.6Very high93.1Very high56 Ų5618.9 Ų18.928%0.27611%0.106SC..Hα-helixtrans-64.8-33.4171.8-17261.463.800112.2F164 V168 C336 G337 L343 I344 T1205F164-M340 HydrophobicContact CE2-CB 4.34Å; F164-M340 HydrophobicContact CZ-CB 3.97Å; F164-M340 HydrophobicContact CZ-CG 3.98Å; V168-M340 HydrophobicContact CG2-CB 4.04Å; V168-M340 HydrophobicContact CG2-CG 4.13Å; C336-M340 PolarHBondContact O-N 3.23Å; G337-M340 CarbonylContact O-C 2.68Å; G337-M340 PolarHBondContact O-N 3.19Å; M340-L343 PolarHBondContact O-N 2.92Å; M340-L343 HydrophobicContact SD-CB 4.48Å; M340-L343 HydrophobicContact SD-CD1 4.36Å; M340-L343 HydrophobicContact SD-CD2 4.42Å; M340-I344 HydrophobicContact CG-CD1 3.78Å; M340-I344 HydrophobicContact CG-CG1 4.31Å; M340-I344 WeakPolarHBondContact O-CB 3.47Å; M340-I344 WeakPolarHBondContact O-CG1 3.44Å; M340-I344 PolarHBondContact O-N 3.43Å; M340-I344 HydrophobicContact SD-CD1 4.09Å; M340-I344 HydrophobicContact SD-CG1 4.16Å; M340-T1205 PolarHBondContact N-OG1 2.79Å
341G94.8Very high93.3Very high2 Ų225 Ų252%0.02113%0.129CC..Hα-helixtrans-61.6-47.3172.300000112.7V168 G337 S338 G339 L343 G345V168-G341 WeakPolarHBondContact O-CA 3.17Å; G337-G341 PolarHBondContact O-N 2.82Å; S338-G341 PolarHBondContact O-N 3.5Å; G339-G341 VanDerWaalsContact C-N 3.3Å; G339-G341 PolarHBondContact O-N 3.44Å; G341-L343 VanDerWaalsContact C-N 3.34Å; G341-L343 PolarHBondContact O-N 3.07Å; G341-G345 WeakPolarHBondContact O-CA 3.4Å; G341-G345 PolarHBondContact O-N 3.28Å
342C95Very high93.6Very high4 Ų425.9 Ų25.93%0.02713%0.133CC..Hα-helixtrans-63.5-37.7172.2-660000112.5F175 S338 G339 G346F175-C342 VanDerWaalsContact CB-SG 3.58Å; S338-C342 PolarHBondContact O-N 3.08Å; S338-C342 PolarHBondContact O-SG 3.08Å; G339-C342 PolarHBondContact O-N 2.8Å; C342-G346 PolarHBondContact O-N 3.26Å
343L95.7Very high93.7Very high57 Ų5726.1 Ų26.130%0.29813%0.134SC..Hα-helixtrans-64.3-52.3177.7-167.7163.1000111.6G339 M340 G341 Q347 S1198 A1202G339-L343 WeakPolarHBondContact O-CB 3.04Å; G339-L343 PolarHBondContact O-N 3.49Å; M340-L343 PolarHBondContact O-N 2.92Å; M340-L343 HydrophobicContact SD-CB 4.48Å; M340-L343 HydrophobicContact SD-CD1 4.36Å; M340-L343 HydrophobicContact SD-CD2 4.42Å; G341-L343 VanDerWaalsContact C-N 3.34Å; G341-L343 PolarHBondContact O-N 3.07Å; L343-Q347 PolarHBondContact O-N 3.29Å; L343-S1198 PolarHBondContact O-OG 3.42Å; L343-A1202 HydrophobicContact CD1-CB 4.05Å
344I96.5Very high93.6Very high84 Ų8427.5 Ų27.543%0.43115%0.149SC..Hα-helixtrans-67.8-50.2179.4-66.4169.9000110.2V168 M340 G346 Q347 A348V168-I344 HydrophobicContact CG1-CD1 4.16Å; M340-I344 HydrophobicContact CG-CD1 3.78Å; M340-I344 HydrophobicContact CG-CG1 4.31Å; M340-I344 WeakPolarHBondContact O-CB 3.47Å; M340-I344 WeakPolarHBondContact O-CG1 3.44Å; M340-I344 PolarHBondContact O-N 3.43Å; M340-I344 HydrophobicContact SD-CD1 4.09Å; M340-I344 HydrophobicContact SD-CG1 4.16Å; I344-G346 PolarHBondContact O-N 2.88Å; I344-Q347 CarbonylContact O-C 3.44Å; I344-Q347 PolarHBondContact O-N 3.37Å; I344-Q347 VanDerWaalsContact O-N 3.08Å; I344-A348 VanDerWaalsContact O-CB 3.29Å; I344-A348 WeakPolarHBondContact O-CB 3.32Å; I344-A348 PolarHBondContact O-N 3.44Å
345G93.8Very high93.5Very high9 Ų933.7 Ų33.79%0.09318%0.181CC..Hα-helixtrans-62.9-39.4-177.500000112.8G341 Q347 A348 I349G341-G345 WeakPolarHBondContact O-CA 3.4Å; G341-G345 PolarHBondContact O-N 3.28Å; G345-Q347 PolarHBondContact O-N 2.68Å; G345-A348 PolarHBondContact O-N 2.98Å; G345-I349 WeakPolarHBondContact O-CB 3.48Å; G345-I349 VanDerWaalsContact O-CG1 3.32Å; G345-I349 WeakPolarHBondContact O-CG1 3.38Å; G345-I349 PolarHBondContact O-N 3.11Å
346G93.8Very high93.4Very high1 Ų138.6 Ų38.61%0.0120%0.202CC..Hα-helixtrans-61-28.4173.800000113.6C342 I344 P350 G1194 S1198C342-G346 PolarHBondContact O-N 3.26Å; I344-G346 PolarHBondContact O-N 2.88Å; G346-P350 VanDerWaalsContact O-CD 3.26Å; G346-P350 WeakPolarHBondContact O-CD 3.47Å; G346-P350 WeakPolarHBondContact O-CG 3.29Å; G346-G1194 CarbonylContact C-O 3.27Å; G346-G1194 WeakPolarHBondContact CA-O 3.01Å; G346-G1194 CarbonylContact O-C 3.55Å; G346-G1194 VanDerWaalsContact O-C 3.24Å; G346-G1194 WeakPolarHBondContact O-CA 3.37Å; G346-S1198 VanDerWaalsContact C-OG 3.27Å; G346-S1198 WeakPolarHBondContact CA-OG 3.39Å
347Q94.5Very high93.3Very high54 Ų5441.5 Ų41.525%0.25222%0.22SC..Hα-helixtrans-90.7-27.5174-70-52.2-65.100114.4L343 I344 G345 R351 S1198L343-Q347 PolarHBondContact O-N 3.29Å; I344-Q347 CarbonylContact O-C 3.44Å; I344-Q347 PolarHBondContact O-N 3.37Å; I344-Q347 VanDerWaalsContact O-N 3.08Å; G345-Q347 PolarHBondContact O-N 2.68Å; Q347-R351 PolarHBondContact O-NH1 3.28Å; Q347-S1198 PolarHBondContact N-OG 2.92Å; Q347-S1198 PolarHBondContact NE2-OG 3.02Å
348A95Very high93.2Very high34 Ų3441.6 Ų41.628%0.28122%0.22SC..Hα-helixtrans-87.3-50.5-175.700000112I344 G345 R351 L352I344-A348 VanDerWaalsContact O-CB 3.29Å; I344-A348 WeakPolarHBondContact O-CB 3.32Å; I344-A348 PolarHBondContact O-N 3.44Å; G345-A348 PolarHBondContact O-N 2.98Å; A348-R351 PolarHBondContact O-N 3.45Å; A348-R351 VanDerWaalsContact O-N 3.17Å; A348-L352 HydrophobicContact CB-CD1 4.19Å; A348-L352 WeakPolarHBondContact O-CB 3.45Å; A348-L352 VanDerWaalsContact O-CG 3.31Å; A348-L352 WeakPolarHBondContact O-CG 3.43Å; A348-L352 PolarHBondContact O-N 2.9Å
349I94.5Very high93.3Very high3 Ų344.9 Ų44.92%0.01523%0.232CC..Hα-helixtrans-59.3-46.2-172.6-60.7-61.8000112.7L179 L180 G345 R351 L352 V353 T361 L365L179-I349 HydrophobicContact CB-CB 4.36Å; L179-I349 HydrophobicContact CB-CG2 3.7Å; L179-I349 HydrophobicContact CD1-CB 4.38Å; L180-I349 HydrophobicContact CD2-CG2 3.76Å; L180-I349 HydrophobicContact CG-CG2 4.17Å; G345-I349 WeakPolarHBondContact O-CB 3.48Å; G345-I349 VanDerWaalsContact O-CG1 3.32Å; G345-I349 WeakPolarHBondContact O-CG1 3.38Å; G345-I349 PolarHBondContact O-N 3.11Å; I349-R351 VanDerWaalsContact C-N 3.26Å; I349-R351 PolarHBondContact O-N 3.39Å; I349-L352 HydrophobicContact CD1-CD1 4.41Å; I349-L352 PolarHBondContact O-N 2.86Å; I349-V353 HydrophobicContact CG2-CG2 4.03Å; I349-V353 WeakPolarHBondContact O-CB 3.4Å; I349-V353 VanDerWaalsContact O-CG2 3.29Å; I349-V353 WeakPolarHBondContact O-CG2 3.24Å; I349-V353 PolarHBondContact O-N 3.44Å; I349-T361 HydrophobicContact CD1-CG2 3.78Å; I349-L365 HydrophobicContact CD1-CD1 3.94Å; I349-L365 HydrophobicContact CD1-CD2 4.16Å; I349-L365 HydrophobicContact CD1-CG 4.35Å
350P92.3Very high93.3Very high5 Ų545.7 Ų45.73%0.03224%0.241CC..Hα-helixtrans-60.8-35.2178.8-24.435.2000113.5L179 G346 S354 L1190L179-P350 HydrophobicContact CD1-CG 4.06Å; L179-P350 HydrophobicContact CD2-CG 4.38Å; G346-P350 VanDerWaalsContact O-CD 3.26Å; G346-P350 WeakPolarHBondContact O-CD 3.47Å; G346-P350 WeakPolarHBondContact O-CG 3.29Å; P350-S354 WeakPolarHBondContact O-CB 3.25Å; P350-S354 PolarHBondContact O-N 3.32Å; P350-S354 PolarHBondContact O-OG 2.98Å; P350-S354 VanDerWaalsContact O-OG 3.13Å; P350-L1190 HydrophobicContact CB-CD2 4.04Å; P350-L1190 HydrophobicContact CB-CG 4.01Å; P350-L1190 HydrophobicContact CG-CG 4.49Å
351R93.1Very high93.3Very high129 Ų12943 Ų4349%0.48723%0.227SC..Hα-helixtrans-78-33.5178.8-63.4-176.2179.9115.60.7112.3Q347 A348 I349 S354 L355Q347-R351 PolarHBondContact O-NH1 3.28Å; A348-R351 PolarHBondContact O-N 3.45Å; A348-R351 VanDerWaalsContact O-N 3.17Å; I349-R351 VanDerWaalsContact C-N 3.26Å; I349-R351 PolarHBondContact O-N 3.39Å; R351-S354 PolarHBondContact O-OG 3.3Å; R351-L355 WeakPolarHBondContact O-CB 3.24Å; R351-L355 WeakPolarHBondContact O-CD1 3.4Å; R351-L355 WeakPolarHBondContact O-CG 3.21Å; R351-L355 PolarHBondContact O-N 3.23Å
352L93.2Very high93.3Very high36 Ų3643 Ų4319%0.18823%0.227CC..Hα-helixtrans-69.4-43173.3-70.5166.2000110.8A348 I349 L355 F356 T361 I364A348-L352 HydrophobicContact CB-CD1 4.19Å; A348-L352 WeakPolarHBondContact O-CB 3.45Å; A348-L352 VanDerWaalsContact O-CG 3.31Å; A348-L352 WeakPolarHBondContact O-CG 3.43Å; A348-L352 PolarHBondContact O-N 2.9Å; I349-L352 HydrophobicContact CD1-CD1 4.41Å; I349-L352 PolarHBondContact O-N 2.86Å; L352-L355 PolarHBondContact O-N 3.34Å; L352-F356 HydrophobicContact CD2-CD2 4.26Å; L352-F356 WeakPolarHBondContact O-CA 3.42Å; L352-F356 WeakPolarHBondContact O-CB 3.33Å; L352-F356 PolarHBondContact O-N 3.01Å; L352-T361 HydrophobicContact CB-CG2 3.77Å; L352-T361 WeakPolarHBondContact CB-OG1 3.4Å; L352-T361 HydrophobicContact CD1-CG2 4.26Å; L352-T361 PolarHBondContact O-OG1 2.9Å; L352-I364 HydrophobicContact CD2-CD1 3.76Å; L352-I364 HydrophobicContact CD2-CG2 4.18Å
353V92.3Very high93.4Very high5 Ų546.1 Ų46.13%0.0324%0.242CC..Hα-helixtrans-64.1-45.5176.4171.80000110.9L180 N182 I349 L355 T357 T361 L1190L180-V353 HydrophobicContact CD2-CG2 4.03Å; N182-V353 HydrophobicContact CB-CG1 4.2Å; I349-V353 HydrophobicContact CG2-CG2 4.03Å; I349-V353 WeakPolarHBondContact O-CB 3.4Å; I349-V353 VanDerWaalsContact O-CG2 3.29Å; I349-V353 WeakPolarHBondContact O-CG2 3.24Å; I349-V353 PolarHBondContact O-N 3.44Å; V353-L355 VanDerWaalsContact C-N 3.3Å; V353-L355 PolarHBondContact O-N 2.87Å; V353-T357 WeakPolarHBondContact O-CA 3.36Å; V353-T357 PolarHBondContact O-N 2.68Å; V353-T361 WeakPolarHBondContact CA-OG1 3.2Å; V353-T361 HydrophobicContact CG2-CG2 4.35Å; V353-T361 PolarHBondContact N-OG1 3.18Å; V353-L1190 HydrophobicContact CB-CD2 4.36Å; V353-L1190 HydrophobicContact CG1-CD2 4.18Å
354S88.6Confident93.4Very high84 Ų8446.2 Ų46.259%0.58724%0.243SC*.Hα-helixtrans-70.4-20.2-179.967.20000114.9P350 R351P350-S354 WeakPolarHBondContact O-CB 3.25Å; P350-S354 PolarHBondContact O-N 3.32Å; P350-S354 PolarHBondContact O-OG 2.98Å; P350-S354 VanDerWaalsContact O-OG 3.13Å; R351-S354 PolarHBondContact O-OG 3.3Å
355L91.3Very high93.3Very high131 Ų13143.1 Ų43.169%0.68623%0.227SC*.Hα-helixtrans-99.3-31.4177.8-68.1173.9000114.1R351 L352 V353R351-L355 WeakPolarHBondContact O-CB 3.24Å; R351-L355 WeakPolarHBondContact O-CD1 3.4Å; R351-L355 WeakPolarHBondContact O-CG 3.21Å; R351-L355 PolarHBondContact O-N 3.23Å; L352-L355 PolarHBondContact O-N 3.34Å; V353-L355 VanDerWaalsContact C-N 3.3Å; V353-L355 PolarHBondContact O-N 2.87Å
356F89.2Confident93.5Very high112 Ų11242.9 Ų42.949%0.49122%0.224SC..Hα-helixtrans-131.67.3-169.4-60.3-72.3000114.4L352 G360 I364L352-F356 HydrophobicContact CD2-CD2 4.26Å; L352-F356 WeakPolarHBondContact O-CA 3.42Å; L352-F356 WeakPolarHBondContact O-CB 3.33Å; L352-F356 PolarHBondContact O-N 3.01Å; F356-G360 VanDerWaalsContact O-CA 3.29Å; F356-G360 WeakPolarHBondContact O-CA 3.34Å; F356-G360 PolarHBondContact O-N 2.92Å; F356-G360 VanDerWaalsContact O-N 3.16Å; F356-I364 HydrophobicContact CD2-CD1 3.78Å; F356-I364 HydrophobicContact CE2-CD1 4.09Å; F356-I364 HydrophobicContact CG-CD1 4.19Å
357T90.6Very high93.5Very high65 Ų6545.6 Ų45.640%0.39925%0.247SC..Hα-helixtrans60.6173.7-168.674.80000113.4V353 R359 G360 T361V353-T357 WeakPolarHBondContact O-CA 3.36Å; V353-T357 PolarHBondContact O-N 2.68Å; T357-R359 VanDerWaalsContact C-N 3.27Å; T357-R359 PolarHBondContact O-N 3.23Å; T357-R359 PolarHBondContact OG1-N 3.28Å; T357-G360 PolarHBondContact O-N 3.48Å; T357-T361 WeakPolarHBondContact O-CB 3.49Å; T357-T361 PolarHBondContact O-N 3.37Å; T357-T361 VanDerWaalsContact O-N 3.08Å; T357-T361 PolarHBondContact O-OG1 3.38Å
358W92Very high93.6Very high2 Ų245.9 Ų45.91%0.00825%0.252CS..Hα-helixtrans-59.4-36.4173.168.7-91.6000112.5L230 D233 F234 F296 T361 L362L230-W358 HydrophobicContact CD1-CD2 3.38Å; L230-W358 HydrophobicContact CD1-CE3 3.51Å; L230-W358 HydrophobicContact CD1-CG 3.93Å; L230-W358 HydrophobicContact CD1-CH2 3.9Å; L230-W358 HydrophobicContact CD1-CZ2 3.78Å; L230-W358 HydrophobicContact CD1-CZ3 3.78Å; D233-W358 HydrophobicContact CB-CZ2 4.04Å; D233-W358 WeakPolarHBondContact OD2-CZ2 3.4Å; D233-W358 PolarHBondContact OD2-NE1 3.26Å; F234-W358 HydrophobicContact CE1-CH2 4.37Å; F234-W358 HydrophobicContact CE2-CH2 4.12Å; F234-W358 HydrophobicContact CE2-CZ2 4.48Å; F234-W358 AromaticContact CZ-CH2 3.66Å; F234-W358 HydrophobicContact CZ-CH2 3.66Å; F234-W358 HydrophobicContact CZ-CZ2 4.26Å; F234-W358 HydrophobicContact CZ-CZ3 4.41Å; F296-W358 HydrophobicContact CD2-CZ3 4.45Å; F296-W358 AromaticContact CE2-CZ3 3.95Å; F296-W358 HydrophobicContact CE2-CZ3 3.95Å; W358-T361 WeakPolarHBondContact O-CB 3.12Å; W358-T361 PolarHBondContact O-N 3.46Å; W358-L362 HydrophobicContact CE3-CD1 3.71Å; W358-L362 HydrophobicContact CZ3-CD1 3.8Å; W358-L362 WeakPolarHBondContact O-CG 3.31Å; W358-L362 PolarHBondContact O-N 3.21Å
359R94Very high93.5Very high70 Ų7044.4 Ų44.426%0.26424%0.239SC..Hα-helixtrans-63.9-49.7178.8-70.5-169.9172.999.41.9112.2D233 A288 T357 T361 L362 I363D233-R359 IonicContact OD1-CZ 2.68Å; D233-R359 IonicContact OD1-NH1 3.57Å; D233-R359 PolarHBondContact OD1-NH1 3.2Å; D233-R359 IonicContact OD1-NH2 2.89Å; D233-R359 PolarHBondContact OD1-NH2 3.35Å; D233-R359 IonicContact OD2-CZ 2.65Å; D233-R359 IonicContact OD2-NH1 3.52Å; D233-R359 PolarHBondContact OD2-NH1 3.27Å; D233-R359 IonicContact OD2-NH2 2.81Å; A288-R359 VanDerWaalsContact O-CD 3.27Å; A288-R359 WeakPolarHBondContact O-CD 3.38Å; A288-R359 WeakPolarHBondContact O-CG 3.35Å; T357-R359 VanDerWaalsContact C-N 3.27Å; T357-R359 PolarHBondContact O-N 3.23Å; T357-R359 PolarHBondContact OG1-N 3.28Å; R359-T361 VanDerWaalsContact C-N 3.29Å; R359-T361 PolarHBondContact O-N 3.49Å; R359-L362 PolarHBondContact O-N 2.81Å; R359-I363 PolarHBondContact O-N 3.37Å
360G93.5Very high93.5Very high17 Ų1749.4 Ų49.418%0.17526%0.261CS..Hα-helixtrans-65.2-34.2177.600000112.4F356 T357 L362 I363 I364F356-G360 VanDerWaalsContact O-CA 3.29Å; F356-G360 WeakPolarHBondContact O-CA 3.34Å; F356-G360 PolarHBondContact O-N 2.92Å; F356-G360 VanDerWaalsContact O-N 3.16Å; T357-G360 PolarHBondContact O-N 3.48Å; G360-L362 PolarHBondContact O-N 3.45Å; G360-I363 PolarHBondContact O-N 3.34Å; G360-I364 WeakPolarHBondContact O-CG1 3.47Å; G360-I364 PolarHBondContact O-N 2.9Å
361T95.2Very high93.6Very high0 Ų054.5 Ų54.50%028%0.284CS..Hα-helixtrans-59.7-43.2172.7-56.30000111.9L180 I349 L352 V353 T357 W358 R359 I363 I364 L365L180-T361 HydrophobicContact CD2-CG2 3.64Å; I349-T361 HydrophobicContact CD1-CG2 3.78Å; L352-T361 HydrophobicContact CB-CG2 3.77Å; L352-T361 WeakPolarHBondContact CB-OG1 3.4Å; L352-T361 HydrophobicContact CD1-CG2 4.26Å; L352-T361 PolarHBondContact O-OG1 2.9Å; V353-T361 WeakPolarHBondContact CA-OG1 3.2Å; V353-T361 HydrophobicContact CG2-CG2 4.35Å; V353-T361 PolarHBondContact N-OG1 3.18Å; T357-T361 WeakPolarHBondContact O-CB 3.49Å; T357-T361 PolarHBondContact O-N 3.37Å; T357-T361 VanDerWaalsContact O-N 3.08Å; T357-T361 PolarHBondContact O-OG1 3.38Å; W358-T361 WeakPolarHBondContact O-CB 3.12Å; W358-T361 PolarHBondContact O-N 3.46Å; R359-T361 VanDerWaalsContact C-N 3.29Å; R359-T361 PolarHBondContact O-N 3.49Å; T361-I363 PolarHBondContact O-N 3.27Å; T361-I364 PolarHBondContact O-N 3.1Å; T361-L365 HydrophobicContact CG2-CD1 4.27Å; T361-L365 WeakPolarHBondContact O-CG 3.36Å; T361-L365 PolarHBondContact O-N 3.23Å
362L95.7Very high93.5Very high1 Ų148.5 Ų48.51%0.00526%0.262CS..Hα-helixtrans-64.3-37.4176.3-71.6173.6000113.2L180 L284 A288 F296 F300 W358 R359 G360 L365 A366L180-L362 HydrophobicContact CD1-CD2 4.12Å; L284-L362 HydrophobicContact CD2-CD2 4.27Å; A288-L362 HydrophobicContact CB-CB 3.92Å; F296-L362 HydrophobicContact CE2-CD1 3.82Å; F296-L362 HydrophobicContact CZ-CD1 4.33Å; F300-L362 HydrophobicContact CD2-CD2 3.9Å; F300-L362 HydrophobicContact CE2-CD2 3.6Å; W358-L362 HydrophobicContact CE3-CD1 3.71Å; W358-L362 HydrophobicContact CZ3-CD1 3.8Å; W358-L362 WeakPolarHBondContact O-CG 3.31Å; W358-L362 PolarHBondContact O-N 3.21Å; R359-L362 PolarHBondContact O-N 2.81Å; G360-L362 PolarHBondContact O-N 3.45Å; L362-L365 PolarHBondContact O-N 3.27Å; L362-A366 WeakPolarHBondContact O-CB 3.45Å; L362-A366 PolarHBondContact O-N 2.85Å
363I96.6Very high93.5Very high69 Ų6948.6 Ų48.635%0.35426%0.263SS..Hα-helixtrans-65.2-42.1175.5-61.5173.4000110.6L285 A288 F289 R359 G360 T361 A366 A367L285-I363 HydrophobicContact CD1-CG1 4.35Å; L285-I363 HydrophobicContact CD1-CG2 4.3Å; A288-I363 HydrophobicContact CB-CD1 4.18Å; A288-I363 HydrophobicContact CB-CG1 3.55Å; F289-I363 HydrophobicContact CE1-CD1 4.47Å; F289-I363 HydrophobicContact CZ-CD1 4.08Å; R359-I363 PolarHBondContact O-N 3.37Å; G360-I363 PolarHBondContact O-N 3.34Å; T361-I363 PolarHBondContact O-N 3.27Å; I363-A366 PolarHBondContact O-N 2.84Å; I363-A367 PolarHBondContact O-N 2.59Å
364I96.2Very high93.5Very high59 Ų5952.4 Ų52.430%0.30329%0.286SS..Hα-helixtrans-65.9-42.4177-67.5167.6000110.5L352 F356 G360 T361 A367 V368L352-I364 HydrophobicContact CD2-CD1 3.76Å; L352-I364 HydrophobicContact CD2-CG2 4.18Å; F356-I364 HydrophobicContact CD2-CD1 3.78Å; F356-I364 HydrophobicContact CE2-CD1 4.09Å; F356-I364 HydrophobicContact CG-CD1 4.19Å; G360-I364 WeakPolarHBondContact O-CG1 3.47Å; G360-I364 PolarHBondContact O-N 2.9Å; T361-I364 PolarHBondContact O-N 3.1Å; I364-A367 PolarHBondContact O-N 3.4Å; I364-V368 WeakPolarHBondContact O-CG2 3.48Å; I364-V368 PolarHBondContact O-N 3.38Å
365L94.8Very high93.6Very high19 Ų1950.6 Ų50.610%0.09927%0.27CS..Hα-helixtrans-61.6-42.2173.6-73.2174.7000112.3I173 L284 I349 T361 L362 A367 V368 C369I173-L365 HydrophobicContact CD1-CD2 4.22Å; I173-L365 HydrophobicContact CG1-CD1 4.39Å; I173-L365 HydrophobicContact CG1-CD2 3.98Å; L284-L365 HydrophobicContact CD1-CB 4.34Å; I349-L365 HydrophobicContact CD1-CD1 3.94Å; I349-L365 HydrophobicContact CD1-CD2 4.16Å; I349-L365 HydrophobicContact CD1-CG 4.35Å; T361-L365 HydrophobicContact CG2-CD1 4.27Å; T361-L365 WeakPolarHBondContact O-CG 3.36Å; T361-L365 PolarHBondContact O-N 3.23Å; L362-L365 PolarHBondContact O-N 3.27Å; L365-A367 VanDerWaalsContact C-N 3.33Å; L365-A367 PolarHBondContact O-N 2.92Å; L365-V368 PolarHBondContact O-N 3.3Å; L365-C369 PolarHBondContact O-N 3.16Å; L365-C369 PolarHBondContact O-SG 3.01Å
366A96.5Very high93.7Very high4 Ų444.3 Ų44.33%0.03324%0.237CC..Hα-helixtrans-59.4-43.7174.600000111.8L284 L285 L362 I363 V368 C369 F370L284-A366 HydrophobicContact CB-CB 3.76Å; L285-A366 HydrophobicContact CB-CB 3.98Å; L362-A366 WeakPolarHBondContact O-CB 3.45Å; L362-A366 PolarHBondContact O-N 2.85Å; I363-A366 PolarHBondContact O-N 2.84Å; A366-V368 VanDerWaalsContact C-N 3.31Å; A366-V368 PolarHBondContact O-N 3.16Å; A366-C369 PolarHBondContact O-N 3.19Å; A366-F370 PolarHBondContact O-N 3.19Å
367A95.7Very high93.8Very high59 Ų5943.3 Ų43.349%0.48824%0.236SC..Hα-helixtrans-63.9-33.7176.500000113I363 I364 L365I363-A367 PolarHBondContact O-N 2.59Å; I364-A367 PolarHBondContact O-N 3.4Å; L365-A367 VanDerWaalsContact C-N 3.33Å; L365-A367 PolarHBondContact O-N 2.92Å
368V95Very high93.8Very high59 Ų5942 Ų4236%0.35823%0.227SC..Hα-helixtrans-73.1-43.2173.8176.70000111.2L169 I364 L365 A366 F370 Q371L169-V368 HydrophobicContact CD1-CG1 3.88Å; L169-V368 HydrophobicContact CD2-CG1 3.49Å; L169-V368 VanDerWaalsContact CD2-CG1 3.49Å; L169-V368 HydrophobicContact CG-CG1 4.35Å; I364-V368 WeakPolarHBondContact O-CG2 3.48Å; I364-V368 PolarHBondContact O-N 3.38Å; L365-V368 PolarHBondContact O-N 3.3Å; A366-V368 VanDerWaalsContact C-N 3.31Å; A366-V368 PolarHBondContact O-N 3.16Å; V368-F370 PolarHBondContact O-N 3.29Å; V368-Q371 WeakPolarHBondContact O-CB 3.34Å; V368-Q371 PolarHBondContact O-N 2.84Å
369C93.9Very high93.6Very high3 Ų342 Ų422%0.0223%0.227CC..Hα-helixtrans-60.4-32174.3-73.90000113I173 T280 L284 L365 A366 Q371 C372I173-C369 WeakPolarHBondContact CD1-SG 3.3Å; T280-C369 HydrophobicContact CG2-CB 4.27Å; L284-C369 HydrophobicContact CD1-CB 4.25Å; L284-C369 VanDerWaalsContact CD1-SG 3.54Å; L365-C369 PolarHBondContact O-N 3.16Å; L365-C369 PolarHBondContact O-SG 3.01Å; A366-C369 PolarHBondContact O-N 3.19Å; C369-Q371 VanDerWaalsContact C-N 3.26Å; C369-Q371 PolarHBondContact O-N 3.35Å; C369-C372 WeakPolarHBondContact O-CB 3.21Å; C369-C372 PolarHBondContact O-N 2.94Å; C369-C372 VanDerWaalsContact O-N 3.1Å; C369-C372 PolarHBondContact O-SG 3.43Å; C369-C372 VanDerWaalsContact O-SG 3.4Å
370F94.6Very high93.1Very high108 Ų10842.3 Ų42.347%0.47423%0.228SC..Hα-helixtrans-62.3-34.4173.6-169.9-109.8000112.3T281 A366 V368 C372 L373T281-F370 HydrophobicContact CG2-CB 3.95Å; T281-F370 HydrophobicContact CG2-CD2 4Å; T281-F370 HydrophobicContact CG2-CG 4.39Å; T281-F370 WeakPolarHBondContact OG1-CA 3.35Å; T281-F370 PolarHBondContact OG1-N 2.86Å; A366-F370 PolarHBondContact O-N 3.19Å; V368-F370 PolarHBondContact O-N 3.29Å; F370-C372 PolarHBondContact O-N 3.48Å; F370-L373 HydrophobicContact CD2-CD1 3.88Å; F370-L373 HydrophobicContact CE2-CD1 3.65Å; F370-L373 HydrophobicContact CZ-CD1 4.17Å; F370-L373 WeakPolarHBondContact O-CB 3.34Å; F370-L373 PolarHBondContact O-N 3.01Å
371Q93.3Very high92.4Very high112 Ų11242.5 Ų42.552%0.52323%0.226SC..Hα-helixtrans-69.6-14.6176.3-57.6-61-21.900113.3V368 C369 L373 T374 L375V368-Q371 WeakPolarHBondContact O-CB 3.34Å; V368-Q371 PolarHBondContact O-N 2.84Å; C369-Q371 VanDerWaalsContact C-N 3.26Å; C369-Q371 PolarHBondContact O-N 3.35Å; Q371-L373 PolarHBondContact O-N 2.97Å; Q371-T374 WeakPolarHBondContact O-CB 3.43Å; Q371-T374 PolarHBondContact O-N 3.15Å; Q371-T374 VanDerWaalsContact O-N 3.07Å; Q371-L375 PolarHBondContact O-N 3.45Å
372C90.8Very high91.6Very high3 Ų346.5 Ų46.52%0.0224%0.241CC..Hα-helixtrans-56-31.1169.7-64.50000111.9L169 A277 C369 F370 T374 L375 I376L169-C372 WeakPolarHBondContact CD1-SG 3.4Å; A277-C372 HydrophobicContact CB-CB 4.11Å; C369-C372 WeakPolarHBondContact O-CB 3.21Å; C369-C372 PolarHBondContact O-N 2.94Å; C369-C372 VanDerWaalsContact O-N 3.1Å; C369-C372 PolarHBondContact O-SG 3.43Å; C369-C372 VanDerWaalsContact O-SG 3.4Å; F370-C372 PolarHBondContact O-N 3.48Å; C372-T374 PolarHBondContact O-N 3.5Å; C372-L375 WeakPolarHBondContact O-CB 3.48Å; C372-L375 PolarHBondContact O-N 2.9Å; C372-I376 HydrophobicContact CB-CD1 4.12Å; C372-I376 WeakPolarHBondContact O-CB 3.49Å; C372-I376 WeakPolarHBondContact O-CD1 3.32Å; C372-I376 WeakPolarHBondContact O-CG1 3.28Å; C372-I376 PolarHBondContact O-N 3.29Å
373L94Very high90.7Very high38 Ų3850.6 Ų50.620%0.19926%0.263CS..Hα-helixtrans-54.8-40.2176.1-71.6171000112.2M274 A277 I278 F370 Q371 L377M274-L373 HydrophobicContact CB-CD2 4Å; M274-L373 HydrophobicContact CG-CD2 4.15Å; A277-L373 HydrophobicContact CB-CD2 3.83Å; A277-L373 HydrophobicContact CB-CG 4.01Å; I278-L373 HydrophobicContact CG1-CD1 4.21Å; I278-L373 HydrophobicContact CG1-CD2 4.18Å; F370-L373 HydrophobicContact CD2-CD1 3.88Å; F370-L373 HydrophobicContact CE2-CD1 3.65Å; F370-L373 HydrophobicContact CZ-CD1 4.17Å; F370-L373 WeakPolarHBondContact O-CB 3.34Å; F370-L373 PolarHBondContact O-N 3.01Å; Q371-L373 PolarHBondContact O-N 2.97Å; L373-L377 PolarHBondContact O-N 3.2Å
374T92.2Very high90Very high85 Ų8550 Ų5052%0.52126%0.263SS..Hα-helixtrans-68.6-38.7177.3-51.30000111.7Q371 C372 L377Q371-T374 WeakPolarHBondContact O-CB 3.43Å; Q371-T374 PolarHBondContact O-N 3.15Å; Q371-T374 VanDerWaalsContact O-N 3.07Å; C372-T374 PolarHBondContact O-N 3.5Å; T374-L377 VanDerWaalsContact O-CB 3.32Å; T374-L377 WeakPolarHBondContact O-CB 3.38Å; T374-L377 PolarHBondContact O-N 3.04Å
375L91.9Very high89.2Confident46 Ų4649.2 Ų49.224%0.24126%0.257CS..Hα-helixtrans-68-40.7176.6-63.8169.3000111.6C165 Q371 C372 L377 L378C165-L375 HydrophobicContact CB-CD1 3.54Å; C165-L375 HydrophobicContact CB-CD2 3.97Å; C165-L375 HydrophobicContact CB-CG 4.34Å; Q371-L375 PolarHBondContact O-N 3.45Å; C372-L375 WeakPolarHBondContact O-CB 3.48Å; C372-L375 PolarHBondContact O-N 2.9Å; L375-L377 PolarHBondContact O-N 3.18Å; L375-L378 WeakPolarHBondContact O-CB 3.2Å; L375-L378 VanDerWaalsContact O-CG 3.32Å; L375-L378 WeakPolarHBondContact O-CG 3.45Å; L375-L378 PolarHBondContact O-N 3.09Å
376I92.7Very high88.5Confident0 Ų051.7 Ų51.70%027%0.268CS..Hα-helixtrans-65.8-17.8177.8-66.8159000111.7R270 A273 M274 A277 C372 L378 F379R270-I376 HydrophobicContact CG-CG2 4.35Å; A273-I376 HydrophobicContact CB-CB 4.5Å; A273-I376 HydrophobicContact CB-CD1 3.93Å; A273-I376 HydrophobicContact CB-CG1 4.04Å; A273-I376 HydrophobicContact CB-CG2 3.61Å; A273-I376 WeakPolarHBondContact O-CD1 3.32Å; M274-I376 HydrophobicContact CE-CG2 4.29Å; M274-I376 HydrophobicContact CG-CG2 3.71Å; A277-I376 HydrophobicContact CB-CD1 3.89Å; C372-I376 HydrophobicContact CB-CD1 4.12Å; C372-I376 WeakPolarHBondContact O-CB 3.49Å; C372-I376 WeakPolarHBondContact O-CD1 3.32Å; C372-I376 WeakPolarHBondContact O-CG1 3.28Å; C372-I376 PolarHBondContact O-N 3.29Å; I376-L378 PolarHBondContact O-N 3.5Å; I376-F379 HydrophobicContact CB-CD2 4.49Å; I376-F379 HydrophobicContact CG1-CD2 4.43Å; I376-F379 HydrophobicContact CG1-CE2 4.19Å; I376-F379 HydrophobicContact CG2-CD2 4.11Å; I376-F379 WeakPolarHBondContact O-CB 3.43Å; I376-F379 PolarHBondContact O-N 2.84Å; I376-F379 VanDerWaalsContact O-N 3.16Å
377L91.8Very high87.9Confident90 Ų9056.6 Ų56.647%0.47129%0.29SS..THydrogen-bonded Turntrans-60.6-23.6168.7-63.1173.5000112.9R270 M274 L373 T374 L375 F379R270-L377 PolarHBondContact NH2-O 3.27Å; M274-L377 HydrophobicContact CE-CD2 3.61Å; L373-L377 PolarHBondContact O-N 3.2Å; T374-L377 VanDerWaalsContact O-CB 3.32Å; T374-L377 WeakPolarHBondContact O-CB 3.38Å; T374-L377 PolarHBondContact O-N 3.04Å; L375-L377 PolarHBondContact O-N 3.18Å; L377-F379 VanDerWaalsContact C-N 3.33Å
378L90.1Very high87.3Confident39 Ų3956.7 Ų56.720%0.20428%0.281CS..THydrogen-bonded Turntrans-70.9-26.1177.6-61.5166.8000112.9W155 F158 L375 I376 R380W155-L378 HydrophobicContact CZ2-CD2 4.2Å; W155-L378 PolarHBondContact NE1-O 3.29Å; W155-L378 VanDerWaalsContact NE1-O 3.07Å; F158-L378 HydrophobicContact CB-CD2 4.47Å; L375-L378 WeakPolarHBondContact O-CB 3.2Å; L375-L378 VanDerWaalsContact O-CG 3.32Å; L375-L378 WeakPolarHBondContact O-CG 3.45Å; L375-L378 PolarHBondContact O-N 3.09Å; I376-L378 PolarHBondContact O-N 3.5Å; L378-R380 PolarHBondContact O-N 3.4Å
379F87.8Confident86.7Confident2 Ų256.7 Ų56.71%0.00928%0.282CS..  trans-71.565.1178.1-61.6-10.7000111.4V159 R270 A273 A315 T318 I376 L377V159-F379 HydrophobicContact CG1-CD1 4.07Å; V159-F379 HydrophobicContact CG1-CE1 4.46Å; R270-F379 WeakPolarHBondContact CB-O 3.03Å; R270-F379 WeakPolarHBondContact CD-O 3.48Å; R270-F379 HydrophobicContact CG-CB 4.34Å; R270-F379 VanDerWaalsContact CG-O 3.31Å; R270-F379 WeakPolarHBondContact CG-O 3.4Å; A273-F379 HydrophobicContact CB-CD2 4.32Å; A273-F379 HydrophobicContact CB-CE2 4.37Å; A315-F379 HydrophobicContact CB-CE2 4.14Å; A315-F379 HydrophobicContact CB-CZ 3.81Å; T318-F379 HydrophobicContact CG2-CB 4.36Å; T318-F379 HydrophobicContact CG2-CG 4.32Å; I376-F379 HydrophobicContact CB-CD2 4.49Å; I376-F379 HydrophobicContact CG1-CD2 4.43Å; I376-F379 HydrophobicContact CG1-CE2 4.19Å; I376-F379 HydrophobicContact CG2-CD2 4.11Å; I376-F379 WeakPolarHBondContact O-CB 3.43Å; I376-F379 PolarHBondContact O-N 2.84Å; I376-F379 VanDerWaalsContact O-N 3.16Å; L377-F379 VanDerWaalsContact C-N 3.33Å
380R83.4Confident86.2Confident75 Ų7561.5 Ų61.528%0.28330%0.304SS..  trans-68.3131.3171.1-172.5-177-62.8-152.31.5108.8L378 V384 I388L378-R380 PolarHBondContact O-N 3.4Å; R380-V384 HydrophobicContact CG-CG1 4.5Å; R380-I388 VanDerWaalsContact NH1-CD1 3.27Å
381P79.4Confident85.9Confident22 Ų2258.4 Ų58.414%0.14330%0.298CS..  trans-60.8145.2171.224.1-31.5000110.5D383 V384 H385P381-D383 PolarHBondContact O-N 2.67Å; P381-V384 HydrophobicContact CG-CB 4.1Å; P381-V384 HydrophobicContact CG-CG2 3.83Å; P381-V384 PolarHBondContact O-N 2.76Å; P381-H385 PolarHBondContact O-N 3.21Å
382W76.9Confident85.6Confident83 Ų8359.1 Ų59.131%0.31430%0.302SS..Hα-helixtrans-65.9-42-168.1176.989.4000112V150 V384 H385 F386V150-W382 HydrophobicContact CG2-CZ2 4.24Å; W382-V384 VanDerWaalsContact C-N 3.32Å; W382-V384 PolarHBondContact O-N 3.46Å; W382-H385 CarbonylContact O-C 3.59Å; W382-H385 WeakPolarHBondContact O-CA 3.16Å; W382-H385 WeakPolarHBondContact O-CB 3.16Å; W382-H385 PolarHBondContact O-N 2.85Å; W382-F386 HydrophobicContact CH2-CB 4.39Å; W382-F386 HydrophobicContact CH2-CD2 4.15Å; W382-F386 HydrophobicContact CH2-CG 4.14Å; W382-F386 HydrophobicContact CZ2-CB 4.48Å; W382-F386 HydrophobicContact CZ2-CD2 4.11Å; W382-F386 HydrophobicContact CZ2-CG 4.39Å; W382-F386 HydrophobicContact CZ3-CB 4.43Å; W382-F386 HydrophobicContact CZ3-CG 4.5Å; W382-F386 PolarHBondContact O-N 3.17Å
383D77.6Confident85.3Confident88 Ų8863 Ų6347%0.47132%0.319SS..Hα-helixtrans-59.4-42-179.6-49.4-90000111.9P381 H385 F386 Q387P381-D383 PolarHBondContact O-N 2.67Å; D383-H385 VanDerWaalsContact C-N 3.29Å; D383-H385 PolarHBondContact O-N 3.29Å; D383-F386 PolarHBondContact O-N 3.4Å; D383-Q387 WeakPolarHBondContact O-CB 3.37Å; D383-Q387 VanDerWaalsContact O-CG 3.29Å; D383-Q387 WeakPolarHBondContact O-CG 3.26Å; D383-Q387 PolarHBondContact O-N 3.03Å
384V81.1Confident85.1Confident57 Ų5764 Ų6435%0.34533%0.333SS..Hα-helixtrans-67.3-30.6175.6178.20000111.2R380 P381 W382 I388R380-V384 HydrophobicContact CG-CG1 4.5Å; P381-V384 HydrophobicContact CG-CB 4.1Å; P381-V384 HydrophobicContact CG-CG2 3.83Å; P381-V384 PolarHBondContact O-N 2.76Å; W382-V384 VanDerWaalsContact C-N 3.32Å; W382-V384 PolarHBondContact O-N 3.46Å; V384-I388 HydrophobicContact CG1-CD1 3.97Å; V384-I388 WeakPolarHBondContact O-CB 3.42Å; V384-I388 VanDerWaalsContact O-CD1 3.28Å; V384-I388 WeakPolarHBondContact O-CD1 3.1Å; V384-I388 WeakPolarHBondContact O-CG1 3.24Å; V384-I388 PolarHBondContact O-N 3.34Å
385H80.8Confident85Confident41 Ų4166 Ų6619%0.1933%0.334CS..Hα-helixtrans-71.4-45.5170-174.171.6000112W322 P381 W382 D383 I388 T389W322-H385 HydrophobicContact CH2-CB 3.49Å; W322-H385 VanDerWaalsContact CH2-CB 3.49Å; W322-H385 AromaticContact CH2-CD2 3.49Å; W322-H385 VanDerWaalsContact CH2-CD2 3.49Å; W322-H385 WeakPolarHBondContact CH2-CD2 3.42Å; W322-H385 AromaticContact CH2-CG 3.33Å; W322-H385 AromaticContact CH2-ND1 3.9Å; W322-H385 HydrophobicContact CZ2-CB 4.1Å; W322-H385 HydrophobicContact CZ3-CB 4.32Å; W322-H385 AromaticContact CZ3-CD2 3.44Å; W322-H385 VanDerWaalsContact CZ3-CD2 3.44Å; W322-H385 WeakPolarHBondContact CZ3-CD2 3.4Å; W322-H385 AromaticContact CZ3-CG 3.82Å; W322-H385 AromaticContact CZ3-NE2 3.89Å; P381-H385 PolarHBondContact O-N 3.21Å; W382-H385 CarbonylContact O-C 3.59Å; W382-H385 WeakPolarHBondContact O-CA 3.16Å; W382-H385 WeakPolarHBondContact O-CB 3.16Å; W382-H385 PolarHBondContact O-N 2.85Å; D383-H385 VanDerWaalsContact C-N 3.29Å; D383-H385 PolarHBondContact O-N 3.29Å; H385-I388 PolarHBondContact O-N 2.98Å; H385-T389 PolarHBondContact NE2-OG1 3.28Å; H385-T389 WeakPolarHBondContact O-CB 3.38Å; H385-T389 PolarHBondContact O-N 3.32Å; H385-T389 PolarHBondContact O-OG1 3.24Å
386F79.1Confident85Confident72 Ų7271.2 Ų71.232%0.31635%0.351SS..Hα-helixtrans-58.8-49.5179.3-175.1-108.7000111.5W382 D383 I388 T389 Q390W382-F386 HydrophobicContact CH2-CB 4.39Å; W382-F386 HydrophobicContact CH2-CD2 4.15Å; W382-F386 HydrophobicContact CH2-CG 4.14Å; W382-F386 HydrophobicContact CZ2-CB 4.48Å; W382-F386 HydrophobicContact CZ2-CD2 4.11Å; W382-F386 HydrophobicContact CZ2-CG 4.39Å; W382-F386 HydrophobicContact CZ3-CB 4.43Å; W382-F386 HydrophobicContact CZ3-CG 4.5Å; W382-F386 PolarHBondContact O-N 3.17Å; D383-F386 PolarHBondContact O-N 3.4Å; F386-I388 VanDerWaalsContact C-N 3.33Å; F386-I388 PolarHBondContact O-N 3.02Å; F386-T389 PolarHBondContact O-N 3.44Å; F386-Q390 HydrophobicContact CE1-CG 4.32Å; F386-Q390 HydrophobicContact CZ-CG 4.41Å; F386-Q390 VanDerWaalsContact CZ-NE2 3.3Å; F386-Q390 WeakPolarHBondContact O-CG 3.47Å; F386-Q390 PolarHBondContact O-N 2.96Å
387Q84.5Confident85Confident106 Ų10675.7 Ų75.750%0.49537%0.374SS..Hα-helixtrans-57.4-42.3173.4-70.5175.423.800112.5D383 A391D383-Q387 WeakPolarHBondContact O-CB 3.37Å; D383-Q387 VanDerWaalsContact O-CG 3.29Å; D383-Q387 WeakPolarHBondContact O-CG 3.26Å; D383-Q387 PolarHBondContact O-N 3.03Å; Q387-A391 WeakPolarHBondContact O-CB 3.35Å; Q387-A391 PolarHBondContact O-N 3.48Å
388I83.4Confident85Confident61 Ų6174.2 Ų74.231%0.31338%0.375SS..Hα-helixtrans-67-40.2177.9-74.9170.7000111.2R380 V384 H385 F386 A391 Q392R380-I388 VanDerWaalsContact NH1-CD1 3.27Å; V384-I388 HydrophobicContact CG1-CD1 3.97Å; V384-I388 WeakPolarHBondContact O-CB 3.42Å; V384-I388 VanDerWaalsContact O-CD1 3.28Å; V384-I388 WeakPolarHBondContact O-CD1 3.1Å; V384-I388 WeakPolarHBondContact O-CG1 3.24Å; V384-I388 PolarHBondContact O-N 3.34Å; H385-I388 PolarHBondContact O-N 2.98Å; F386-I388 VanDerWaalsContact C-N 3.33Å; F386-I388 PolarHBondContact O-N 3.02Å; I388-A391 PolarHBondContact O-N 3.26Å; I388-Q392 WeakPolarHBondContact O-CB 3.33Å; I388-Q392 VanDerWaalsContact O-CG 3.25Å; I388-Q392 WeakPolarHBondContact O-CG 3.44Å; I388-Q392 PolarHBondContact O-N 3.39Å
389T82.5Confident85.2Confident60 Ų6080.6 Ų80.637%0.36840%0.396SS..Hα-helixtrans-68.4-43.6177.8-65.90000111.2H385 F386 Q392 H393H385-T389 PolarHBondContact NE2-OG1 3.28Å; H385-T389 WeakPolarHBondContact O-CB 3.38Å; H385-T389 PolarHBondContact O-N 3.32Å; H385-T389 PolarHBondContact O-OG1 3.24Å; F386-T389 PolarHBondContact O-N 3.44Å; T389-Q392 PolarHBondContact O-N 3.28Å; T389-H393 WeakPolarHBondContact O-CB 3.45Å; T389-H393 PolarHBondContact O-N 3.32Å
390Q83.5Confident85.4Confident103 Ų10383.3 Ų83.348%0.48141%0.409SS..Hα-helixtrans-58.5-48.7170.5-75.4-169.3-18.700111.8F386 Q392 H393 A394F386-Q390 HydrophobicContact CE1-CG 4.32Å; F386-Q390 HydrophobicContact CZ-CG 4.41Å; F386-Q390 VanDerWaalsContact CZ-NE2 3.3Å; F386-Q390 WeakPolarHBondContact O-CG 3.47Å; F386-Q390 PolarHBondContact O-N 2.96Å; Q390-Q392 VanDerWaalsContact C-N 3.29Å; Q390-Q392 PolarHBondContact O-N 2.93Å; Q390-H393 PolarHBondContact O-N 3.02Å; Q390-H393 VanDerWaalsContact O-N 3.11Å; Q390-A394 WeakPolarHBondContact O-CB 3.38Å; Q390-A394 PolarHBondContact O-N 3.34Å
391A86.5Confident85.9Confident43 Ų4382.4 Ų82.436%0.35542%0.418SS..Hα-helixtrans-64.2-31.8179.100000112.8Q387 I388 K395Q387-A391 WeakPolarHBondContact O-CB 3.35Å; Q387-A391 PolarHBondContact O-N 3.48Å; I388-A391 PolarHBondContact O-N 3.26Å; A391-K395 WeakPolarHBondContact O-CB 3.16Å; A391-K395 VanDerWaalsContact O-CD 3.32Å; A391-K395 WeakPolarHBondContact O-CD 3.45Å; A391-K395 WeakPolarHBondContact O-CG 3.49Å; A391-K395 PolarHBondContact O-N 3.04Å; A391-K395 VanDerWaalsContact O-N 3.15Å
392Q86.9Confident86.5Confident127 Ų12784.2 Ų84.259%0.59344%0.435SS*.Hα-helixtrans-71.6-40.9171.2-75.4179.825.100111.9I388 T389 Q390 K395 R396I388-Q392 WeakPolarHBondContact O-CB 3.33Å; I388-Q392 VanDerWaalsContact O-CG 3.25Å; I388-Q392 WeakPolarHBondContact O-CG 3.44Å; I388-Q392 PolarHBondContact O-N 3.39Å; T389-Q392 PolarHBondContact O-N 3.28Å; Q390-Q392 VanDerWaalsContact C-N 3.29Å; Q390-Q392 PolarHBondContact O-N 2.93Å; Q392-K395 PolarHBondContact O-N 3.07Å; Q392-R396 WeakPolarHBondContact O-CB 3.46Å; Q392-R396 PolarHBondContact O-N 2.87Å
393H85.2Confident87.3Confident85 Ų8588.9 Ų88.939%0.39445%0.452SS..Hα-helixtrans-65.2-47.2177.6-167.4-131.9000111.5T389 Q390 K395 R396 L397T389-H393 WeakPolarHBondContact O-CB 3.45Å; T389-H393 PolarHBondContact O-N 3.32Å; Q390-H393 PolarHBondContact O-N 3.02Å; Q390-H393 VanDerWaalsContact O-N 3.11Å; H393-K395 PolarHBondContact O-N 3Å; H393-R396 CarbonylContact O-C 3.55Å; H393-R396 WeakPolarHBondContact O-CA 3.26Å; H393-R396 WeakPolarHBondContact O-CB 3.37Å; H393-R396 PolarHBondContact O-N 3.33Å; H393-L397 WeakPolarHBondContact O-CG 3.47Å; H393-L397 PolarHBondContact O-N 3.39Å
394A89.2Confident88.1Confident58 Ų5893.6 Ų93.648%0.47946%0.463SS..Hα-helixtrans-57.2-45172.900000112.1Q390 R396 L397 A398Q390-A394 WeakPolarHBondContact O-CB 3.38Å; Q390-A394 PolarHBondContact O-N 3.34Å; A394-R396 VanDerWaalsContact C-N 3.28Å; A394-R396 PolarHBondContact O-N 3.01Å; A394-L397 PolarHBondContact O-N 2.99Å; A394-A398 WeakPolarHBondContact O-CB 3.46Å; A394-A398 PolarHBondContact O-N 2.88Å
395K92Very high88.6Confident127 Ų12793.1 Ų93.155%0.55247%0.466SS*.Hα-helixtrans-64.5-29.3174.6-75.6168.7-174.3170.20113A391 Q392 H393 R399A391-K395 WeakPolarHBondContact O-CB 3.16Å; A391-K395 VanDerWaalsContact O-CD 3.32Å; A391-K395 WeakPolarHBondContact O-CD 3.45Å; A391-K395 WeakPolarHBondContact O-CG 3.49Å; A391-K395 PolarHBondContact O-N 3.04Å; A391-K395 VanDerWaalsContact O-N 3.15Å; Q392-K395 PolarHBondContact O-N 3.07Å; H393-K395 PolarHBondContact O-N 3Å; K395-R399 VanDerWaalsContact O-CD 3.29Å; K395-R399 WeakPolarHBondContact O-CD 3.5Å; K395-R399 WeakPolarHBondContact O-CG 3.45Å; K395-R399 PolarHBondContact O-N 3.49Å
396R90.2Very high89.2Confident157 Ų15793 Ų9359%0.59247%0.472SS*.Hα-helixtrans-73.6-49.4173.7-177.9176176.6174.3-4.3111.3Q392 H393 A394 A398 R399 E400Q392-R396 WeakPolarHBondContact O-CB 3.46Å; Q392-R396 PolarHBondContact O-N 2.87Å; H393-R396 CarbonylContact O-C 3.55Å; H393-R396 WeakPolarHBondContact O-CA 3.26Å; H393-R396 WeakPolarHBondContact O-CB 3.37Å; H393-R396 PolarHBondContact O-N 3.33Å; A394-R396 VanDerWaalsContact C-N 3.28Å; A394-R396 PolarHBondContact O-N 3.01Å; R396-A398 VanDerWaalsContact C-N 3.33Å; R396-A398 PolarHBondContact O-N 3.03Å; R396-R399 WeakPolarHBondContact O-CB 3.33Å; R396-R399 PolarHBondContact O-N 2.82Å; R396-R399 VanDerWaalsContact O-N 3.13Å; R396-E400 WeakPolarHBondContact CG-OE1 3.42Å; R396-E400 IonicContact CZ-OE1 2.72Å; R396-E400 IonicContact NE-OE1 3.19Å; R396-E400 PolarHBondContact NE-OE1 3.13Å; R396-E400 IonicContact NH2-OE1 2.67Å; R396-E400 WeakPolarHBondContact O-CG 3.43Å; R396-E400 PolarHBondContact O-N 2.85Å
397L92.8Very high89.9Confident93 Ų9392.3 Ų92.349%0.48748%0.479SS..Hα-helixtrans-58-44.3176-69175000111.4H393 A394 R399 E400 A401H393-L397 WeakPolarHBondContact O-CG 3.47Å; H393-L397 PolarHBondContact O-N 3.39Å; A394-L397 PolarHBondContact O-N 2.99Å; L397-R399 VanDerWaalsContact C-N 3.34Å; L397-R399 PolarHBondContact O-N 3.4Å; L397-E400 PolarHBondContact O-N 3.21Å; L397-E400 VanDerWaalsContact O-N 3.16Å; L397-A401 WeakPolarHBondContact O-CB 3.02Å; L397-A401 PolarHBondContact O-N 3.22Å
398A92Very high90.4Very high60 Ų6092.4 Ų92.450%0.49648%0.482SS..Hα-helixtrans-59.5-41.3174.900000112.7A394 R396 A402A394-A398 WeakPolarHBondContact O-CB 3.46Å; A394-A398 PolarHBondContact O-N 2.88Å; R396-A398 VanDerWaalsContact C-N 3.33Å; R396-A398 PolarHBondContact O-N 3.03Å; A398-A402 VanDerWaalsContact O-CB 3.28Å; A398-A402 WeakPolarHBondContact O-CB 3.49Å; A398-A402 PolarHBondContact O-N 3.27Å
399R93.5Very high90.9Very high172 Ų17298.4 Ų98.465%0.64950%0.501SS*.Hα-helixtrans-66.9-37.3174.8-73.5165.9178.2178.6-2.1112.5K395 R396 L397 R403K395-R399 VanDerWaalsContact O-CD 3.29Å; K395-R399 WeakPolarHBondContact O-CD 3.5Å; K395-R399 WeakPolarHBondContact O-CG 3.45Å; K395-R399 PolarHBondContact O-N 3.49Å; R396-R399 WeakPolarHBondContact O-CB 3.33Å; R396-R399 PolarHBondContact O-N 2.82Å; R396-R399 VanDerWaalsContact O-N 3.13Å; L397-R399 VanDerWaalsContact C-N 3.34Å; L397-R399 PolarHBondContact O-N 3.4Å; R399-R403 WeakPolarHBondContact O-CB 3.05Å; R399-R403 WeakPolarHBondContact O-CD 3.38Å; R399-R403 WeakPolarHBondContact O-CG 3.46Å; R399-R403 PolarHBondContact O-N 3.02Å; R399-R403 VanDerWaalsContact O-N 3.07Å
400E93.6Very high91.4Very high60 Ų60103.5 Ų103.528%0.2851%0.514SS..Hα-helixtrans-74.8-36.8178.6-69-177.2-156.200111.6R396 L397 R403 R404R396-E400 WeakPolarHBondContact CG-OE1 3.42Å; R396-E400 IonicContact CZ-OE1 2.72Å; R396-E400 IonicContact NE-OE1 3.19Å; R396-E400 PolarHBondContact NE-OE1 3.13Å; R396-E400 IonicContact NH2-OE1 2.67Å; R396-E400 WeakPolarHBondContact O-CG 3.43Å; R396-E400 PolarHBondContact O-N 2.85Å; L397-E400 PolarHBondContact O-N 3.21Å; L397-E400 VanDerWaalsContact O-N 3.16Å; E400-R403 PolarHBondContact O-N 3.36Å; E400-R404 WeakPolarHBondContact O-CG 3.16Å; E400-R404 PolarHBondContact O-N 3.39Å
401A92.8Very high91.8Very high55 Ų55100.9 Ų100.946%0.45551%0.51SS..Hα-helixtrans-63.2-47.917000000112L397 R403 R404 A405L397-A401 WeakPolarHBondContact O-CB 3.02Å; L397-A401 PolarHBondContact O-N 3.22Å; A401-R403 VanDerWaalsContact C-N 3.28Å; A401-R403 PolarHBondContact O-N 3.42Å; A401-R404 PolarHBondContact O-N 3.29Å; A401-A405 PolarHBondContact O-N 3.36Å
402A92.4Very high92.2Very high61 Ų61103.3 Ų103.350%0.50451%0.514SS..Hα-helixtrans-59.5-38175.500000112.3A398 A406A398-A402 VanDerWaalsContact O-CB 3.28Å; A398-A402 WeakPolarHBondContact O-CB 3.49Å; A398-A402 PolarHBondContact O-N 3.27Å; A402-A406 VanDerWaalsContact O-CB 3.25Å; A402-A406 WeakPolarHBondContact O-CB 3.33Å; A402-A406 PolarHBondContact O-N 3.35Å
403R93.9Very high92.5Very high180 Ų18099.6 Ų99.668%0.67951%0.505SS*.Hα-helixtrans-64.7-41.1172.4-75.6166.7178.1-177.8-2112.5R399 E400 A401 A407R399-R403 WeakPolarHBondContact O-CB 3.05Å; R399-R403 WeakPolarHBondContact O-CD 3.38Å; R399-R403 WeakPolarHBondContact O-CG 3.46Å; R399-R403 PolarHBondContact O-N 3.02Å; R399-R403 VanDerWaalsContact O-N 3.07Å; E400-R403 PolarHBondContact O-N 3.36Å; A401-R403 VanDerWaalsContact C-N 3.28Å; A401-R403 PolarHBondContact O-N 3.42Å; R403-A407 WeakPolarHBondContact O-CB 3.39Å; R403-A407 PolarHBondContact O-N 2.88Å
404R94.1Very high92.9Very high187 Ų187101.7 Ų101.771%0.70652%0.515SS*.Hα-helixtrans-65.1-47.3175.6-71.8174.6-172.41774.7111.6E400 A401 A406 A407 L408E400-R404 WeakPolarHBondContact O-CG 3.16Å; E400-R404 PolarHBondContact O-N 3.39Å; A401-R404 PolarHBondContact O-N 3.29Å; R404-A406 PolarHBondContact O-N 3.38Å; R404-A407 WeakPolarHBondContact O-CB 3.48Å; R404-A407 PolarHBondContact O-N 3.24Å; R404-L408 PolarHBondContact O-N 3.46Å
405A92.5Very high93Very high48 Ų48107.9 Ų107.940%0.39753%0.526SS..Hα-helixtrans-60.4-42.6175.800000112.2A401 A407 L408 R409A401-A405 PolarHBondContact O-N 3.36Å; A405-A407 VanDerWaalsContact C-N 3.26Å; A405-A407 PolarHBondContact O-N 3.41Å; A405-L408 PolarHBondContact O-N 2.95Å; A405-R409 WeakPolarHBondContact O-CG 3.22Å; A405-R409 PolarHBondContact O-N 3.37Å
406A92.9Very high93Very high39 Ų39106.7 Ų106.732%0.32253%0.529SS..Hα-helixtrans-70-19.417500000113.6A402 R404 R410A402-A406 VanDerWaalsContact O-CB 3.25Å; A402-A406 WeakPolarHBondContact O-CB 3.33Å; A402-A406 PolarHBondContact O-N 3.35Å; R404-A406 PolarHBondContact O-N 3.38Å; A406-R410 WeakPolarHBondContact O-CG 3.22Å; A406-R410 PolarHBondContact O-NH1 3.33Å
407A92.7Very high93Very high56 Ų56105.1 Ų105.146%0.46353%0.532SS..Hα-helixtrans-80.6-42.1170.300000111.3R403 R404 A405 R410 A411R403-A407 WeakPolarHBondContact O-CB 3.39Å; R403-A407 PolarHBondContact O-N 2.88Å; R404-A407 WeakPolarHBondContact O-CB 3.48Å; R404-A407 PolarHBondContact O-N 3.24Å; A405-A407 VanDerWaalsContact C-N 3.26Å; A405-A407 PolarHBondContact O-N 3.41Å; A407-R410 PolarHBondContact O-N 3.11Å; A407-A411 PolarHBondContact O-N 3.07Å; A407-A411 VanDerWaalsContact O-N 3.09Å
408L95.2Very high92.9Very high108 Ų108106 Ų10657%0.56554%0.536SS*.Hα-helixtrans-57.6-52176.7-161.480.8000111.3R404 A405 R410 A411 E412R404-L408 PolarHBondContact O-N 3.46Å; A405-L408 PolarHBondContact O-N 2.95Å; L408-R410 PolarHBondContact O-N 3.21Å; L408-R410 VanDerWaalsContact O-N 3.11Å; L408-A411 WeakPolarHBondContact O-CB 3.26Å; L408-A411 PolarHBondContact O-N 3Å; L408-E412 VanDerWaalsContact CD2-OE1 3.3Å; L408-E412 WeakPolarHBondContact CD2-OE1 3.43Å; L408-E412 WeakPolarHBondContact CG-OE1 3.44Å; L408-E412 WeakPolarHBondContact O-CG 3.41Å; L408-E412 PolarHBondContact O-N 3.07Å
409R93.9Very high93Very high188 Ų188108.1 Ų108.171%0.70954%0.536SS*.Hα-helixtrans-56.3-29.6176.9-70.8178.4179.6177.6-0.6114.1A405 E412 A413A405-R409 WeakPolarHBondContact O-CG 3.22Å; A405-R409 PolarHBondContact O-N 3.37Å; R409-E412 VanDerWaalsContact CA-OE2 3.31Å; R409-E412 WeakPolarHBondContact CA-OE2 3.22Å; R409-A413 WeakPolarHBondContact O-CB 3.19Å; R409-A413 PolarHBondContact O-N 2.95Å; R409-A413 VanDerWaalsContact O-N 3.16Å
410R94Very high92.8Very high166 Ų166102 Ų10263%0.62652%0.522SS*.Hα-helixtrans-75.3-43.4174.1-72.6177.2179.1101.1-7.2111.7A406 A407 L408 E412 A413 E414A406-R410 WeakPolarHBondContact O-CG 3.22Å; A406-R410 PolarHBondContact O-NH1 3.33Å; A407-R410 PolarHBondContact O-N 3.11Å; L408-R410 PolarHBondContact O-N 3.21Å; L408-R410 VanDerWaalsContact O-N 3.11Å; R410-E412 VanDerWaalsContact C-N 3.32Å; R410-E412 PolarHBondContact O-N 3.37Å; R410-A413 PolarHBondContact O-N 3.48Å; R410-E414 WeakPolarHBondContact O-CG 3.5Å; R410-E414 PolarHBondContact O-N 2.9Å
411A91.6Very high92.7Very high48 Ų48108 Ų10840%0.39754%0.542SS..Hα-helixtrans-64.8-35.9176.300000112.4A407 L408 E414 R415A407-A411 PolarHBondContact O-N 3.07Å; A407-A411 VanDerWaalsContact O-N 3.09Å; L408-A411 WeakPolarHBondContact O-CB 3.26Å; L408-A411 PolarHBondContact O-N 3Å; A411-E414 PolarHBondContact O-N 2.77Å; A411-R415 WeakPolarHBondContact O-CG 3.32Å; A411-R415 PolarHBondContact O-N 3.47Å
412E94.4Very high92.6Very high94 Ų94114 Ų11444%0.43955%0.553SS.*Hα-helixtrans-64-49.8172.7-71.4160.5172.100111.3L408 R409 R410 E414 R415 V416L408-E412 VanDerWaalsContact CD2-OE1 3.3Å; L408-E412 WeakPolarHBondContact CD2-OE1 3.43Å; L408-E412 WeakPolarHBondContact CG-OE1 3.44Å; L408-E412 WeakPolarHBondContact O-CG 3.41Å; L408-E412 PolarHBondContact O-N 3.07Å; R409-E412 VanDerWaalsContact CA-OE2 3.31Å; R409-E412 WeakPolarHBondContact CA-OE2 3.22Å; R410-E412 VanDerWaalsContact C-N 3.32Å; R410-E412 PolarHBondContact O-N 3.37Å; E412-E414 VanDerWaalsContact C-N 3.31Å; E412-E414 PolarHBondContact O-N 3Å; E412-R415 WeakPolarHBondContact O-CB 3.11Å; E412-R415 PolarHBondContact O-N 3.42Å; E412-R415 VanDerWaalsContact O-N 3.12Å; E412-V416 WeakPolarHBondContact O-CG2 3.18Å; E412-V416 PolarHBondContact O-N 3.25Å
413A93.5Very high92.5Very high50 Ų50119.3 Ų119.341%0.41356%0.56SS.*Hα-helixtrans-59.3-39.2175.100000112.7R409 R410 V416 L417R409-A413 WeakPolarHBondContact O-CB 3.19Å; R409-A413 PolarHBondContact O-N 2.95Å; R409-A413 VanDerWaalsContact O-N 3.16Å; R410-A413 PolarHBondContact O-N 3.48Å; A413-V416 PolarHBondContact O-N 3.47Å; A413-L417 WeakPolarHBondContact O-CB 3.47Å; A413-L417 VanDerWaalsContact O-CG 3.29Å; A413-L417 WeakPolarHBondContact O-CG 3.47Å; A413-L417 PolarHBondContact O-N 2.93Å
414E93.4Very high92.2Very high129 Ų129118.5 Ų118.560%0.60356%0.562SS**Hα-helixtrans-64.6-40.5173.9-76.3-177.1-179.400112.4R410 A411 E412 L417 L418R410-E414 WeakPolarHBondContact O-CG 3.5Å; R410-E414 PolarHBondContact O-N 2.9Å; A411-E414 PolarHBondContact O-N 2.77Å; E412-E414 VanDerWaalsContact C-N 3.31Å; E412-E414 PolarHBondContact O-N 3Å; E414-L417 PolarHBondContact O-N 2.63Å; E414-L418 WeakPolarHBondContact O-CB 3.22Å; E414-L418 VanDerWaalsContact O-CG 3.29Å; E414-L418 WeakPolarHBondContact O-CG 3.24Å; E414-L418 PolarHBondContact O-N 3.22Å
415R92.5Very high91.7Very high188 Ų188117.6 Ų117.671%0.70956%0.559SS**Hα-helixtrans-61.6-48.1173.5-76.9-179177.2-163.50.6111.9A411 E412 L417 L418 E419A411-R415 WeakPolarHBondContact O-CG 3.32Å; A411-R415 PolarHBondContact O-N 3.47Å; E412-R415 WeakPolarHBondContact O-CB 3.11Å; E412-R415 PolarHBondContact O-N 3.42Å; E412-R415 VanDerWaalsContact O-N 3.12Å; R415-L417 VanDerWaalsContact C-N 3.31Å; R415-L417 PolarHBondContact O-N 3.09Å; R415-L418 PolarHBondContact O-N 2.9Å; R415-L418 VanDerWaalsContact O-N 3.13Å; R415-E419 PolarHBondContact O-N 3.47Å
416V90.8Very high91.6Very high102 Ų102119.6 Ų119.662%0.61856%0.563SS**Hα-helixtrans-60.1-41.2178.2174.10000111.2E412 A413 E419 A420E412-V416 WeakPolarHBondContact O-CG2 3.18Å; E412-V416 PolarHBondContact O-N 3.25Å; A413-V416 PolarHBondContact O-N 3.47Å; V416-E419 PolarHBondContact O-N 3.16Å; V416-A420 WeakPolarHBondContact O-CB 3.26Å; V416-A420 PolarHBondContact O-N 3.23Å
417L91.5Very high91.1Very high124 Ų124120.3 Ų120.365%0.64957%0.569SS**Hα-helixtrans-66.1-37.2175.3-73.7170000113.1A413 E414 R415 R421A413-L417 WeakPolarHBondContact O-CB 3.47Å; A413-L417 VanDerWaalsContact O-CG 3.29Å; A413-L417 WeakPolarHBondContact O-CG 3.47Å; A413-L417 PolarHBondContact O-N 2.93Å; E414-L417 PolarHBondContact O-N 2.63Å; R415-L417 VanDerWaalsContact C-N 3.31Å; R415-L417 PolarHBondContact O-N 3.09Å; L417-R421 WeakPolarHBondContact O-CB 3.2Å; L417-R421 PolarHBondContact O-N 3.13Å
418L90.7Very high90.6Very high110 Ų110120.7 Ų120.758%0.57657%0.572SS**Hα-helixtrans-68.1-40.7174.7-74169.7000111.9E414 R415 R421 R422E414-L418 WeakPolarHBondContact O-CB 3.22Å; E414-L418 VanDerWaalsContact O-CG 3.29Å; E414-L418 WeakPolarHBondContact O-CG 3.24Å; E414-L418 PolarHBondContact O-N 3.22Å; R415-L418 PolarHBondContact O-N 2.9Å; R415-L418 VanDerWaalsContact O-N 3.13Å; L418-R421 PolarHBondContact O-N 2.89Å; L418-R422 PolarHBondContact O-N 3.25Å
419E92.9Very high89.9Confident106 Ų106120 Ų12050%0.49557%0.568SS.*Hα-helixtrans-65-45.3173.5-78.2-163-156.400112.5R415 V416 R421 R422 R423R415-E419 PolarHBondContact O-N 3.47Å; V416-E419 PolarHBondContact O-N 3.16Å; E419-R421 PolarHBondContact O-N 3.4Å; E419-R422 CarbonylContact O-C 3.48Å; E419-R422 WeakPolarHBondContact O-CA 3.36Å; E419-R422 WeakPolarHBondContact O-CB 3.19Å; E419-R422 PolarHBondContact O-N 2.66Å; E419-R423 WeakPolarHBondContact O-CG 3.33Å; E419-R423 PolarHBondContact O-N 2.9Å; E419-R423 IonicContact OE2-NH2 3.57Å; E419-R423 PolarHBondContact OE2-NH2 2.94Å
420A89.8Confident89.2Confident44 Ų44117.5 Ų117.536%0.36457%0.565SS.*Hα-helixtrans-58.8-37.117500000111.7V416 K424V416-A420 WeakPolarHBondContact O-CB 3.26Å; V416-A420 PolarHBondContact O-N 3.23Å; A420-K424 WeakPolarHBondContact O-CG 3.37Å; A420-K424 PolarHBondContact O-N 2.97Å; A420-K424 VanDerWaalsContact O-N 3.11Å
421R90.7Very high88.3Confident185 Ų185112.3 Ų112.370%0.69856%0.558SS**Hα-helixtrans-67.9-40.9172.2-177.4176.5-75.9169.4-2.7112.1L417 L418 E419 K424 Y425L417-R421 WeakPolarHBondContact O-CB 3.2Å; L417-R421 PolarHBondContact O-N 3.13Å; L418-R421 PolarHBondContact O-N 2.89Å; E419-R421 PolarHBondContact O-N 3.4Å; R421-K424 PolarHBondContact O-N 3.27Å; R421-Y425 PolarHBondContact O-N 3.18Å
422R91.9Very high87.3Confident180 Ų180112.5 Ų112.568%0.67956%0.559SS**Hα-helixtrans-63.6-45175.8-173.2-178.7179-164.3-0.4111.8L418 E419 K424 Y425 L426L418-R422 PolarHBondContact O-N 3.25Å; E419-R422 CarbonylContact O-C 3.48Å; E419-R422 WeakPolarHBondContact O-CA 3.36Å; E419-R422 WeakPolarHBondContact O-CB 3.19Å; E419-R422 PolarHBondContact O-N 2.66Å; R422-K424 PolarHBondContact O-N 2.79Å; R422-Y425 PolarHBondContact O-N 3.18Å; R422-L426 HydrophobicContact CG-CD1 4.2Å; R422-L426 WeakPolarHBondContact O-CG 3.36Å; R422-L426 PolarHBondContact O-N 2.97Å
423R90.5Very high85.9Confident173 Ų173110.7 Ų110.765%0.65356%0.56SS**Hα-helixtrans-59.9-44.4175.4-67.1-177-163.3-162.76.8111.2E419 Y425 L426 A427E419-R423 WeakPolarHBondContact O-CG 3.33Å; E419-R423 PolarHBondContact O-N 2.9Å; E419-R423 IonicContact OE2-NH2 3.57Å; E419-R423 PolarHBondContact OE2-NH2 2.94Å; R423-Y425 VanDerWaalsContact C-N 3.35Å; R423-Y425 PolarHBondContact O-N 3.12Å; R423-L426 PolarHBondContact O-N 3.18Å; R423-A427 WeakPolarHBondContact O-CB 3.33Å; R423-A427 PolarHBondContact O-N 2.79Å
424K86.3Confident84.5Confident164 Ų164111.8 Ų111.871%0.71356%0.562SS**Hα-helixtrans-62-37.4174.2-75.1178179.2-178.60113.3A420 R421 R422 A428A420-K424 WeakPolarHBondContact O-CG 3.37Å; A420-K424 PolarHBondContact O-N 2.97Å; A420-K424 VanDerWaalsContact O-N 3.11Å; R421-K424 PolarHBondContact O-N 3.27Å; R422-K424 PolarHBondContact O-N 2.79Å; K424-A428 WeakPolarHBondContact O-CB 3.28Å; K424-A428 PolarHBondContact O-N 3.37Å; K424-A428 VanDerWaalsContact O-N 3.13Å
425Y85.1Confident82.8Confident167 Ų167109 Ų10966%0.65556%0.561SS**Hα-helixtrans-68.5-43.3175.5-175.1-99.8000112.3R421 R422 R423 A428 L429R421-Y425 PolarHBondContact O-N 3.18Å; R422-Y425 PolarHBondContact O-N 3.18Å; R423-Y425 VanDerWaalsContact C-N 3.35Å; R423-Y425 PolarHBondContact O-N 3.12Å; Y425-A428 PolarHBondContact O-N 3.42Å; Y425-L429 HydrophobicContact CD1-CD1 4.18Å; Y425-L429 HydrophobicContact CE1-CD1 3.63Å; Y425-L429 PolarHBondContact O-N 3.08Å
426L88.7Confident80.9Confident90 Ų90107.5 Ų107.547%0.47156%0.562SS.*Hα-helixtrans-64-45.3176.5-70170.9000111.9R422 R423 A428 L429 E430R422-L426 HydrophobicContact CG-CD1 4.2Å; R422-L426 WeakPolarHBondContact O-CG 3.36Å; R422-L426 PolarHBondContact O-N 2.97Å; R423-L426 PolarHBondContact O-N 3.18Å; L426-A428 VanDerWaalsContact C-N 3.3Å; L426-A428 PolarHBondContact O-N 2.9Å; L426-L429 CarbonylContact O-C 3.57Å; L426-L429 WeakPolarHBondContact O-CA 3.24Å; L426-L429 VanDerWaalsContact O-CB 3.27Å; L426-L429 WeakPolarHBondContact O-CB 3.34Å; L426-L429 PolarHBondContact O-N 3.33Å; L426-E430 PolarHBondContact O-N 3.5Å
427A83.8Confident79.1Confident55 Ų55107.4 Ų107.446%0.45556%0.561SS.*Hα-helixtrans-62.1-35.2176.200000112.7R423 L429 E430 A431R423-A427 WeakPolarHBondContact O-CB 3.33Å; R423-A427 PolarHBondContact O-N 2.79Å; A427-L429 VanDerWaalsContact C-N 3.35Å; A427-E430 PolarHBondContact O-N 3.29Å; A427-A431 VanDerWaalsContact O-CB 3.31Å; A427-A431 WeakPolarHBondContact O-CB 3.26Å; A427-A431 PolarHBondContact O-N 3.33Å
428A80.9Confident77Confident63 Ų63107.4 Ų107.452%0.52157%0.566SS.*Hα-helixtrans-68.2-33.9172.700000112.6K424 Y425 L426 A432K424-A428 WeakPolarHBondContact O-CB 3.28Å; K424-A428 PolarHBondContact O-N 3.37Å; K424-A428 VanDerWaalsContact O-N 3.13Å; Y425-A428 PolarHBondContact O-N 3.42Å; L426-A428 VanDerWaalsContact C-N 3.3Å; L426-A428 PolarHBondContact O-N 2.9Å; A428-A432 WeakPolarHBondContact O-CB 3.31Å; A428-A432 PolarHBondContact O-N 2.86Å; A428-A432 VanDerWaalsContact O-N 3.07Å
429L80.8Confident74.7Confident93 Ų93105.1 Ų105.149%0.48757%0.569SS.*Hα-helixtrans-68.6-40.9174-118.9162.5000111.9Y425 L426 A427 A432 A433Y425-L429 HydrophobicContact CD1-CD1 4.18Å; Y425-L429 HydrophobicContact CE1-CD1 3.63Å; Y425-L429 PolarHBondContact O-N 3.08Å; L426-L429 CarbonylContact O-C 3.57Å; L426-L429 WeakPolarHBondContact O-CA 3.24Å; L426-L429 VanDerWaalsContact O-CB 3.27Å; L426-L429 WeakPolarHBondContact O-CB 3.34Å; L426-L429 PolarHBondContact O-N 3.33Å; A427-L429 VanDerWaalsContact C-N 3.35Å; L429-A432 WeakPolarHBondContact O-CB 3.34Å; L429-A432 PolarHBondContact O-N 3.4Å; L429-A433 PolarHBondContact O-N 3.46Å
430E78.9Confident72Confident136 Ų136106 Ų10664%0.63658%0.581SS**Hα-helixtrans-71-37.2176.8-171.3169.2-158.800112.2L426 A427 A432 A433 T434L426-E430 PolarHBondContact O-N 3.5Å; A427-E430 PolarHBondContact O-N 3.29Å; E430-A432 VanDerWaalsContact C-N 3.31Å; E430-A432 PolarHBondContact O-N 2.88Å; E430-A433 PolarHBondContact O-N 3.18Å; E430-T434 WeakPolarHBondContact O-CB 3.49Å; E430-T434 WeakPolarHBondContact O-CG2 3.36Å; E430-T434 PolarHBondContact O-N 3.48Å; E430-T434 PolarHBondContact O-OG1 3.34Å
431A75Confident69.1Low58 Ų58113.2 Ų113.248%0.47960%0.604SS.*Hα-helixtrans-61.2-37.8168.700000112.1A427 T434 A435A427-A431 VanDerWaalsContact O-CB 3.31Å; A427-A431 WeakPolarHBondContact O-CB 3.26Å; A427-A431 PolarHBondContact O-N 3.33Å; A431-T434 WeakPolarHBondContact CA-OG1 3.5Å; A431-T434 PolarHBondContact O-OG1 3.33Å; A431-A435 WeakPolarHBondContact O-CB 3.37Å; A431-A435 PolarHBondContact O-N 3.31Å
432A71.2Confident66.4Low52 Ų52113.4 Ų113.443%0.4361%0.611SS.*Hα-helixtrans-70.3-37173.700000112.6A428 L429 E430 H436A428-A432 WeakPolarHBondContact O-CB 3.31Å; A428-A432 PolarHBondContact O-N 2.86Å; A428-A432 VanDerWaalsContact O-N 3.07Å; L429-A432 WeakPolarHBondContact O-CB 3.34Å; L429-A432 PolarHBondContact O-N 3.4Å; E430-A432 VanDerWaalsContact C-N 3.31Å; E430-A432 PolarHBondContact O-N 2.88Å; A432-H436 PolarHBondContact O-N 3.43Å
433A65.6Low63.7Low56 Ų56113.7 Ų113.746%0.46362%0.619SS.*Hα-helixtrans-69.1-41.9176.800000112.5L429 E430 H436 T437L429-A433 PolarHBondContact O-N 3.46Å; E430-A433 PolarHBondContact O-N 3.18Å; A433-H436 WeakPolarHBondContact O-CB 3.45Å; A433-H436 PolarHBondContact O-N 3.09Å; A433-H436 VanDerWaalsContact O-N 3.12Å; A433-T437 PolarHBondContact O-N 3.47Å
434T64.3Low60.7Low73 Ų73110 Ų11045%0.44862%0.62SS.*Hα-helixtrans-69.6-34.417648.30000112.4E430 A431 H436 T437 V438E430-T434 WeakPolarHBondContact O-CB 3.49Å; E430-T434 WeakPolarHBondContact O-CG2 3.36Å; E430-T434 PolarHBondContact O-N 3.48Å; E430-T434 PolarHBondContact O-OG1 3.34Å; A431-T434 WeakPolarHBondContact CA-OG1 3.5Å; A431-T434 PolarHBondContact O-OG1 3.33Å; T434-H436 PolarHBondContact O-N 3.08Å; T434-T437 PolarHBondContact O-N 2.97Å; T434-T437 VanDerWaalsContact O-N 3.16Å; T434-T437 PolarHBondContact O-OG1 2.77Å; T434-V438 PolarHBondContact O-N 3.16Å
435A57.3Low58.2Low70 Ų70109 Ų10958%0.57962%0.622SS**Hα-helixtrans-59-31.6168.200000112.7A431A431-A435 WeakPolarHBondContact O-CB 3.37Å; A431-A435 PolarHBondContact O-N 3.31Å
436H52.2Low55.8Low157 Ų157108 Ų10873%0.72763%0.634SS**Hα-helixtrans-73.5-34173.8-98.7-87000113.8A432 A433 T434 G439A432-H436 PolarHBondContact O-N 3.43Å; A433-H436 WeakPolarHBondContact O-CB 3.45Å; A433-H436 PolarHBondContact O-N 3.09Å; A433-H436 VanDerWaalsContact O-N 3.12Å; T434-H436 PolarHBondContact O-N 3.08Å; H436-G439 PolarHBondContact O-N 3.15Å
437T53Low53.2Low99 Ų99110.1 Ų110.161%0.60765%0.651SS**Hα-helixtrans-74.9-30.2179.856.10000113.2A433 T434 G439 V440A433-T437 PolarHBondContact O-N 3.47Å; T434-T437 PolarHBondContact O-N 2.97Å; T434-T437 VanDerWaalsContact O-N 3.16Å; T434-T437 PolarHBondContact O-OG1 2.77Å; T437-G439 PolarHBondContact O-N 3.4Å; T437-V440 PolarHBondContact O-N 3.27Å
438V47.3Very low51.1Low125 Ų125113.2 Ų113.276%0.75867%0.666SS**THydrogen-bonded Turntrans-70.6-16.7175.9178.20000112.7T434 V440T434-V438 PolarHBondContact O-N 3.16Å; V438-V440 VanDerWaalsContact C-N 3.3Å; V438-V440 PolarHBondContact O-N 2.8Å
439G41.6Very low48.8Very low62 Ų62114.6 Ų114.664%0.63968%0.677SS**THydrogen-bonded Turntrans-70.2-16.7176.800000115.6H436 T437 K441H436-G439 PolarHBondContact O-N 3.15Å; T437-G439 PolarHBondContact O-N 3.4Å; G439-K441 PolarHBondContact O-N 3.41Å
440V37.2Very low46.4Very low123 Ų123116.4 Ų116.475%0.74569%0.692SS**  trans-90.862.3-167.4-165.30000112.8T437 V438T437-V440 PolarHBondContact O-N 3.27Å; V438-V440 VanDerWaalsContact C-N 3.3Å; V438-V440 PolarHBondContact O-N 2.8Å
441K29.4Very low44.1Very low196 Ų196117.6 Ų117.685%0.85270%0.699SS**  trans-141.971.6165.5-87.6-168176.1175.90112.9G439G439-K441 PolarHBondContact O-N 3.41Å
442K32.5Very low42Very low190 Ų190119.8 Ų119.883%0.82671%0.707SS**SBendtrans-162.7108.7153.3-113.1165.1-175.71780114.4
443H36.5Very low40.1Very low186 Ų186124.6 Ų124.686%0.86173%0.725SS**  trans59.8153.6160.2-64.9-66.7000121.3
444S28.1Very low38.3Very low95 Ų95128.6 Ų128.666%0.66474%0.739SS**  trans-146.8167.5-175.361.10000110.4
445N32.2Very low36.8Very low143 Ų143131.3 Ų131.377%0.76575%0.75SS**  trans75.4103.9165.5-51-6.8000118.8
446T36.3Very low35.4Very low146 Ų146135.7 Ų135.790%0.89676%0.763SS**  -160.8166.7113.54.10000111.4
447T32.4Very low34.3Very low135 Ų135131.9 Ų131.983%0.82877%0.766SS**  trans-137.4-154.5-160.449.10000112.7
448P40.4Very low33.1Very low120 Ų120135 Ų13578%0.77978%0.78SS**  -134.2168.1-93.442.5-25.6000117.8
449A33.2Very low32.3Very low91 Ų91138.6 Ų138.675%0.75279%0.785SS**  trans-171.1141.4154.200000109.5
450V30.6Very low31.9Very low131 Ų131141.5 Ų141.579%0.79479%0.793SS**  cis85119.837.5175.50000111.9
451M30.1Very low31.4Very low161 Ų161138.7 Ų138.779%0.79379%0.789SS**  cis-161.4165.51-128.7-178.4171.100114.6
452T31.3Very low31.4Very low105 Ų105139.2 Ų139.264%0.64479%0.791SS**  trans47.5130.415451.90000124.2
453N30.7Very low31.1Very low152 Ų152138.4 Ų138.481%0.81379%0.79SS**  trans45.7138.1137.3-50.8-3.5000119.7
454N28.5Very low30.6Very low140 Ų140134.9 Ų134.975%0.74979%0.785SS**  cis-169174.930.9-157.6-1.4000111.7
455I33.1Very low30.6Very low131 Ų131139 Ų13967%0.67279%0.794SS**  trans71127.1158-66.1156.4000119.5
456N27.5Very low30.4Very low161 Ų161137.4 Ų137.486%0.86180%0.8SS**  trans22.3125.5152.8-55.7-10.1000121.5
457G29.2Very low30.1Very low77 Ų77133.9 Ų133.979%0.79479%0.793SS**  trans173.9117.7154.400000115.9
458N27.9Very low30Very low166 Ų166135.4 Ų135.489%0.88879%0.791SS**  trans-68137.6162.7-78.2-30.8000110.4
459K28.7Very low29.5Very low200 Ų200136.8 Ų136.887%0.8778%0.782SS**  -179.3161.7117.5-99.8170.6-179-179.90113.6
460P34.6Very low29.2Very low123 Ų123142 Ų14280%0.79978%0.782SS**  trans-97.1173.7178.539.7-35000112.7
461G26.6Very low29.2Very low64 Ų64140.3 Ų140.366%0.6678%0.776SS**  trans117.396.1138.800000119
462F29.2Very low29Very low206 Ų206140.2 Ų140.290%0.90478%0.779SS**  63.7158.9128.5-92.7-84.1000123.3
463Q25.5Very low29Very low174 Ų174140.8 Ų140.881%0.81379%0.787SS**  trans73.3149.6164.4-73.8178.2-27.100117.3
464C26.9Very low28.8Very low111 Ų111140.6 Ų140.675%0.7579%0.786SS**  cis-145.41750.9-136.70000114.1
465Q27.7Very low28.8Very low183 Ų183140 Ų14086%0.85578%0.783SS**  trans-103.7159.6177.5-56.9161.5-91.100111.8
466A28.2Very low28.5Very low108 Ų108138.9 Ų138.989%0.89379%0.787SS**  trans177139.8133.400000110.2
467G30.6Very low28.4Very low73 Ų73135.3 Ų135.375%0.75379%0.788SS**  cis-126.5-118.2-16.500000108.4
468E30Very low28.2Very low166 Ų166135.7 Ų135.778%0.77679%0.792SS**  cis-171.5166.2-34.5-120.9-161.3178.500107.7
469Y29.5Very low28.1Very low150 Ų150132 Ų13259%0.58879%0.793SS**  cis-151.3140.2-0.5-168.636.4000110.5
470R26.8Very low28.1Very low199 Ų199125.9 Ų125.975%0.75179%0.786SS**  trans62.6149.8168.2-80.9172176.51611117.7
471S29.8Very low27.8Very low96 Ų96126.6 Ų126.667%0.67179%0.788SS**  cis-154.7142.3-446.10000113.4
472N26.1Very low28Very low159 Ų159130.2 Ų130.285%0.8580%0.797SS**  trans34131.3144.2-56.511.4000121.2
473S31.7Very low28.1Very low118 Ų118124 Ų12483%0.82579%0.792SS**  -154.8126.7111.161.90000111.7
474N27.2Very low28.4Very low147 Ų147119.2 Ų119.279%0.78679%0.789SS**  trans-97.8170.2166-120.645.8000109.1
475D28.6Very low28.8Very low128 Ų128124.9 Ų124.968%0.68480%0.795SS**  trans71115.8149-83.2-70.3000122.7
476S26.8Very low29.1Very low108 Ų108125.6 Ų125.676%0.75579%0.789SS**  62.795.4115.3-57.30000122.1
477G24.8Very low29.2Very low85 Ų85127.1 Ų127.188%0.87678%0.783SS**  93.2167.4124.800000119.7
478G25.1Very low29.4Very low86 Ų86129.6 Ų129.689%0.88778%0.783SS**  trans88.5116.1171.200000115.4
479G25.8Very low29.5Very low88 Ų88126.1 Ų126.191%0.90778%0.783SS**  trans-98.7173.1174.600000113.4
480G27.7Very low29.6Very low71 Ų71126.9 Ų126.973%0.73279%0.792SS**  trans169.695.4170.900000117.4
481V29.4Very low29.7Very low138 Ų138126.8 Ų126.884%0.83679%0.793SS**  trans41.2141.6140.3-139.50000122.3
482V31Very low29.7Very low140 Ų140128.3 Ų128.385%0.84879%0.792SS**  trans74.3131.7165.7-162.20000116
483G31Very low29.9Very low77 Ų77131.3 Ų131.379%0.79479%0.792SS**  cis153.9141.4-13.400000114.5
484G32.2Very low29.6Very low73 Ų73133.2 Ų133.275%0.75379%0.791SS**  trans129.9104.9153.900000119.9
485R34.1Very low29.6Very low229 Ų229134 Ų13486%0.86479%0.79SS**  trans67.9149.3150.8-68.1176.1174.8176.9-1.9117.2
486R34Very low29.6Very low198 Ų198134.1 Ų134.175%0.74779%0.79SS**  cis-156.8144.311.5-132.4170.7-170.6162.4-1.5110.4
487N31.6Very low29.7Very low140 Ų140133.6 Ų133.675%0.74978%0.783SS**  trans61.6145.8157.6-62.611.4000118.4
488T33.3Very low29.8Very low125 Ų125136.3 Ų136.377%0.76778%0.777SS**  cis-158.3144.1-1.66.20000109.9
489A32.4Very low30Very low94 Ų94139.7 Ų139.778%0.77777%0.77SS**  trans50.7145.4158.400000120.5
490Q31.7Very low30.1Very low166 Ų166141.3 Ų141.378%0.77676%0.762SS**  cis-159.6152.8-10.1-119.6-179.7-18.100108.8
491Y29.5Very low30.3Very low197 Ų197147.9 Ų147.977%0.77377%0.765SS**  trans45.1123.3166.9-72.7-91.2000121.1
492I29.9Very low30.3Very low127 Ų127148 Ų14865%0.65176%0.761SS**  cis76.7125.723.9-52.2180000113.3
493R29.1Very low30.3Very low223 Ų223144.9 Ų144.984%0.84276%0.757SS**  cis-142.9168.810.7-156.9158.3-90.7165.6-2.6114.6
494I27.3Very low30.5Very low158 Ų158152.1 Ų152.181%0.8176%0.761SS**  trans-98.2159.4173.8-68.7168.3000112.5
495H26.3Very low30.4Very low164 Ų164154.4 Ų154.476%0.75975%0.751SS**  trans-35.3131.6171.2-101.8-94.6000120
496N28.9Very low30.1Very low129 Ų129148.4 Ų148.469%0.6974%0.737SS**  93.1154.8111.1-147.711.7000124.1
497T28.6Very low30Very low97 Ų97148.8 Ų148.860%0.59574%0.744SS**  trans93.2128.2152.861.70000123.6
498N27.1Very low29.9Very low142 Ų142146.9 Ų146.976%0.75973%0.73SS**  trans77.9152.3147.6-61.6-23.1000118.7
499Q29.5Very low29.5Very low157 Ų157148.3 Ų148.373%0.73473%0.726SS**  cis-156.9120.519.6-153168.842.800116.4
500T28.7Very low29.2Very low122 Ų122149.4 Ų149.475%0.74872%0.718SS**  trans65.4171.414766.20000119.6
501R31.7Very low29Very low209 Ų209150 Ų15079%0.78972%0.718SS**  cis-158.6136.117.4-157169.9179.4175.12.6117.8
502N29.2Very low29.3Very low141 Ų141147 Ų14775%0.75472%0.716SS**  trans50.3135146.8-65.69.6000126.6
503G31.2Very low29.6Very low75 Ų75145.6 Ų145.677%0.77372%0.715SS**  trans122.6145.6136.200000115.3
504R33.5Very low29.6Very low229 Ų229144 Ų14486%0.86471%0.71SS**  cis-168.9158.5-1.5-101.3-168.9135.3166.5-3.6108.9
505Q31.4Very low29.6Very low120 Ų120141.9 Ų141.956%0.56170%0.7SS**  cis-163.2132.3-24.4-142.3-170.7-76.400111.4
506N27.3Very low29.7Very low104 Ų104143.8 Ų143.856%0.55670%0.7SS**  trans25.7140.2152.3-49.6-4.9000124.3H508N506-H508 WeakPolarHBondContact CB-CD2 3.49Å; N506-H508 WeakPolarHBondContact CB-NE2 3.43Å; N506-H508 PolarHBondContact ND2-CE1 2.78Å; N506-H508 PolarHBondContact ND2-NE2 3.21Å
507K32.6Very low29.7Very low205 Ų205142.7 Ų142.789%0.89170%0.699SS**  -117.3129.8110.6-69.3-178.7179.2176.10106.8
508H28.3Very low29.7Very low101 Ų101145 Ų14547%0.46870%0.703SS.*  cis65.4133.145.3-65.2-62.4000112.8N506N506-H508 WeakPolarHBondContact CB-CD2 3.49Å; N506-H508 WeakPolarHBondContact CB-NE2 3.43Å; N506-H508 PolarHBondContact ND2-CE1 2.78Å; N506-H508 PolarHBondContact ND2-NE2 3.21Å
509F26Very low29.8Very low155 Ų155145.5 Ų145.568%0.6870%0.701SS**  cis-164.6155.31.1-122-29.9000110.5
510I24.9Very low29.5Very low117 Ų117145.4 Ų145.460%0.671%0.705SS**  53.9151.1125.4-113.6167.1000120
511F27.4Very low29.8Very low179 Ų179145.3 Ų145.379%0.78571%0.706SS**  cis-144.1160.910.5-128.4-62.7000111.1
512N36.7Very low29.5Very low134 Ų134138.5 Ų138.572%0.71770%0.701SS**  trans-92.3144170.5-177.526.6000111.2
513P36.9Very low29.4Very low97 Ų97138.1 Ų138.163%0.6370%0.704SS**  -148.3172.7108.833.9-13.2000113.5
514Y28.4Very low29.1Very low190 Ų190142 Ų14275%0.74570%0.704SS**  cis-157.7142.837-120.6-88000111.6
515N28.2Very low28.8Very low113 Ų113137.8 Ų137.860%0.60470%0.698SS**  trans42152.8142.2-73.5-2.4000123.6
516R27.8Very low28.5Very low203 Ų203139.1 Ų139.177%0.76672%0.715SS**  cis-166.5159.2-1.1-122.5177.4-173.4178.81.1111.4
517T27.7Very low28.5Very low107 Ų107145.3 Ų145.366%0.65673%0.731SS**  trans57.2145.9148.254.10000120.6
518Q29Very low28.3Very low145 Ų145139.6 Ų139.668%0.67872%0.716SS**  cis-158.6150.4-5.5-123162.7-6800112.4
519Q28.6Very low28.3Very low153 Ų153142.4 Ų142.472%0.71574%0.735SS**  trans41.8120143.7-71.8160.9-29.700123
520N23.9Very low28.4Very low154 Ų154139 Ų13982%0.82474%0.735SS**  32158107.6-84.811.9000121.8
521P36.2Very low28.6Very low120 Ų120139.5 Ų139.578%0.77974%0.743SS**  cis-142173.2-13.638.7-20.4000116.6
522G24.9Very low28.7Very low66 Ų66137.8 Ų137.868%0.6875%0.748SS**  115134.5124.600000122.5
523V26.4Very low28.2Very low133 Ų133135.2 Ų135.281%0.80675%0.753SS**  79.7112.9126.8176.90000121.3
524M25.6Very low27.8Very low157 Ų157137.9 Ų137.977%0.77376%0.762SS**  trans62117.5144.1-69.8-172-176.900120.3
525N26.1Very low27.7Very low141 Ų141139.6 Ų139.675%0.75477%0.767SS**  81.2129.685.8-67-11000114.9
526T25.8Very low27.6Very low148 Ų148139 Ų13991%0.90877%0.772SS**  trans-126.9146.314751.20000109.2
527R26.2Very low27.6Very low234 Ų234135 Ų13588%0.88377%0.77SS**  trans-151.3138.4177.5-164.9-173.1-169.1-165.83.3109.2
528S28.6Very low27.6Very low84 Ų84136.1 Ų136.159%0.58777%0.772SS**  trans55.4110.2161.350.60000117.9
529N28.1Very low27.6Very low161 Ų161135.8 Ų135.886%0.86177%0.77SS**  101154.394.6-73.93.8000111.5
530A28.6Very low27.6Very low83 Ų83134.4 Ų134.469%0.68676%0.764SS**  cis-170.4161.6-25.800000110.2
531V30Very low27.9Very low127 Ų127131.4 Ų131.477%0.7775%0.747SS**  trans75.2112.2150.5164.70000121.1
532T28.3Very low27.5Very low143 Ų143134 Ų13488%0.87775%0.749SS**  trans62.9135.3149.6570000123.6
533G27.4Very low27.6Very low81 Ų81134.5 Ų134.584%0.83575%0.754SS**  trans173.199.1164.800000115
534N27.7Very low27.7Very low153 Ų153134 Ų13482%0.81876%0.756SS**  trans-54.2143.9-170.8-95.9-32.5000120
535R26.7Very low27.9Very low225 Ų225131.4 Ų131.485%0.84975%0.753SS**  trans66.1128.6137.4-77.4-173.4172.2-179.2-3.2123.9
536S26.1Very low28.2Very low101 Ų101135 Ų13571%0.70676%0.757SS**  trans97.5112.5130.8-70.70000123.1
537V28Very low28.4Very low120 Ų120134.4 Ų134.473%0.72775%0.753SS**  75.6107.7129-179.10000120.2
538N27.3Very low28.7Very low130 Ų130127 Ų12770%0.69574%0.742SS**  trans61.5158.4146.3-63.222.3000119.4
539H29.1Very low28.7Very low137 Ų137129.4 Ų129.463%0.63475%0.748SS**  cis-147.1145.44.8-119.5-60.1000111.4
540Q28.9Very low28.8Very low125 Ų125132.3 Ų132.358%0.58475%0.747SS**  trans48.5124.7141.5-76.8171-9.500125
541N29.1Very low29Very low90 Ų90138.2 Ų138.248%0.48176%0.757SS.*  105.6131.2121-78.331.5000125.1
542H28.2Very low28.9Very low176 Ų176144 Ų14482%0.81577%0.765SS**  trans66.2134.6155-55.5-49000121.6
543G27.6Very low29Very low76 Ų76143.6 Ų143.678%0.78476%0.763SS**  trans165.845.7170.300000121.6
544S29.2Very low29.3Very low121 Ų121145.6 Ų145.685%0.84676%0.761SS**  trans32.7112.7155.1-66.90000123.8
545S29.5Very low29.3Very low103 Ų103144 Ų14472%0.7276%0.762SS**  79.4131.7113.1-140.30000124.4
546R31Very low29.5Very low218 Ų218144.1 Ų144.182%0.82376%0.762SS**  trans85.8116.5141.1-83.9170.3177-172.30.2124.2
547T30.5Very low29.5Very low134 Ų134150.2 Ų150.282%0.82277%0.77SS**  trans73.1149133.458.20000121.9
548A32.2Very low29.7Very low80 Ų80150 Ų15066%0.66177%0.769SS**  cis-170.9163.4-21.500000113.7
549N29.9Very low29.8Very low134 Ų134150.4 Ų150.472%0.71777%0.769SS**  trans85.5114.5144-95.9-43.1000124.5
550R29.4Very low29.9Very low222 Ų222149.5 Ų149.584%0.83877%0.773SS**  trans66.1122.9131.3-78.2168.9-178.7-160.4-2122.4
551K32.3Very low30Very low207 Ų207153 Ų15390%0.978%0.782SS**  -162.9151.695.9-103164.9-175.7172.50112.9
552R28Very low30.1Very low247 Ų247161.1 Ų161.193%0.93281%0.806SS**  trans-93155174.8-75.6-179.7172.3169.7-3.8111.5
553T31Very low30.2Very low136 Ų136154.8 Ų154.883%0.83479%0.789SS**  trans-138165.8166.618.20000109.6
554P33.7Very low30.5Very low122 Ų122154.4 Ų154.479%0.79277%0.774SS**  trans-85.8163.7-140.332.3-38.2000117.2
555S27.4Very low31.1Very low120 Ų120154.8 Ų154.884%0.83977%0.765SS**  trans-57.9128.9179-179.90000113.4
556R30.9Very low31.6Very low228 Ų228155.9 Ų155.986%0.8676%0.761SS**  trans-100.9106.7167.6-171.4178-172.3179.22108.6V558R556-V558 PolarHBondContact O-N 2.76Å
557R26.1Very low32.2Very low228 Ų228151.7 Ų151.786%0.8675%0.75SS**  trans-61.2105178.2-168.7-175-60.2-172.31.4110.1I559R557-I559 PolarHBondContact O-N 2.63Å
558V31.8Very low32.8Very low116 Ų116154.2 Ų154.270%0.70375%0.745SS**  trans-78.3119.6175.4177.60000108.8R556 V560R556-V558 PolarHBondContact O-N 2.76Å; V558-V560 HydrophobicContact CG1-CG2 4.25Å; V558-V560 PolarHBondContact O-N 3.36Å
559I30.4Very low33.7Very low139 Ų139154.4 Ų154.471%0.71373%0.734SS**  trans-80.7101.1169.9-60.7174.1000107R557 Y561R557-I559 PolarHBondContact O-N 2.63Å; I559-Y561 HydrophobicContact CG2-CE2 4.5Å; I559-Y561 PolarHBondContact O-N 2.96Å
560V31.6Very low35Very low118 Ų118152.6 Ų152.672%0.71572%0.723SS**  trans-73.9112176.2-179.80000108.8V558 R562V558-V560 HydrophobicContact CG1-CG2 4.25Å; V558-V560 PolarHBondContact O-N 3.36Å; V560-R562 PolarHBondContact O-N 3.49Å
561Y30.8Very low35.9Very low198 Ų198146.3 Ų146.378%0.77670%0.703SS**  trans-70.6123.3173.8-89.1-95.3000110.5I559 G563I559-Y561 HydrophobicContact CG2-CE2 4.5Å; I559-Y561 PolarHBondContact O-N 2.96Å; Y561-G563 VanDerWaalsContact C-N 3.27Å; Y561-G563 PolarHBondContact O-N 3.49Å
562R30.7Very low36.5Very low260 Ų260140.9 Ų140.998%0.98168%0.681SS**THydrogen-bonded Turntrans-73.175.6179.8-163.6-179.6-168-174.24.5110.9V560V560-R562 PolarHBondContact O-N 3.49Å
563G30.4Very low37.2Very low43 Ų43135.2 Ų135.244%0.44366%0.663SS.*THydrogen-bonded Turntrans-157.7-20.2-178.900000116.5Y561 I565 Q567Y561-G563 VanDerWaalsContact C-N 3.27Å; Y561-G563 PolarHBondContact O-N 3.49Å; G563-I565 VanDerWaalsContact C-N 3.34Å; G563-I565 PolarHBondContact O-N 3.22Å; G563-Q567 PolarHBondContact O-N 3.11Å
564S33.4Very low37.6Very low69 Ų69136.7 Ų136.748%0.48365%0.654SS.*Hα-helixtrans-70-22.2-174.850.40000115.3R568S564-R568 WeakPolarHBondContact O-CB 3.25Å; S564-R568 PolarHBondContact O-N 3.23Å
565I42.4Very low37.7Very low128 Ų128139 Ų13966%0.65665%0.646SS**Hα-helixtrans-71.2-50.4178.5-67.5172.7000110.9G563 Q567 R568 I569G563-I565 VanDerWaalsContact C-N 3.34Å; G563-I565 PolarHBondContact O-N 3.22Å; I565-Q567 VanDerWaalsContact C-N 3.26Å; I565-Q567 PolarHBondContact O-N 3.47Å; I565-R568 PolarHBondContact O-N 2.85Å; I565-I569 HydrophobicContact CG2-CD1 3.8Å; I565-I569 HydrophobicContact CG2-CG1 4.5Å; I565-I569 WeakPolarHBondContact O-CG1 3.48Å; I565-I569 PolarHBondContact O-N 2.67Å
566M39.1Very low38.3Very low127 Ų127139.6 Ų139.663%0.62664%0.636SS**Hα-helixtrans-62.4-37.1176.3-175.663.18800111.1I569 I570M566-I569 PolarHBondContact O-N 2.88Å; M566-I570 HydrophobicContact CG-CD1 3.93Å; M566-I570 WeakPolarHBondContact O-CB 3.31Å; M566-I570 VanDerWaalsContact O-CG1 3.29Å; M566-I570 WeakPolarHBondContact O-CG1 3.35Å; M566-I570 PolarHBondContact O-N 3.44Å; M566-I570 HydrophobicContact SD-CD1 4.32Å
567Q44.5Very low38.4Very low129 Ų129138 Ų13860%0.60363%0.63SS**Hα-helixtrans-66.9-40.6176.9-158.6166.67.400111.9G563 I565 I570 E571G563-Q567 PolarHBondContact O-N 3.11Å; I565-Q567 VanDerWaalsContact C-N 3.26Å; I565-Q567 PolarHBondContact O-N 3.47Å; Q567-I570 PolarHBondContact O-N 2.98Å; Q567-E571 WeakPolarHBondContact O-CB 2.99Å; Q567-E571 PolarHBondContact O-N 3.18Å
568R42.6Very low38.5Very low187 Ų187132.2 Ų132.271%0.70662%0.62SS**Hα-helixtrans-62.8-44.8169.8-81.9-170177-170.2-2112.6S564 I565 I570 E571 E572S564-R568 WeakPolarHBondContact O-CB 3.25Å; S564-R568 PolarHBondContact O-N 3.23Å; I565-R568 PolarHBondContact O-N 2.85Å; R568-I570 PolarHBondContact O-N 2.88Å; R568-E571 CarbonylContact O-C 3.55Å; R568-E571 WeakPolarHBondContact O-CA 3.48Å; R568-E571 WeakPolarHBondContact O-CB 3.35Å; R568-E571 PolarHBondContact O-N 3.41Å; R568-E572 WeakPolarHBondContact O-CB 3.31Å; R568-E572 PolarHBondContact O-N 2.93Å
569I52Low38.5Very low85 Ų85133.9 Ų133.944%0.43662%0.624SS.*Hα-helixtrans-60-34.9177.3-68.6166.9000111.3I565 M566 K573I565-I569 HydrophobicContact CG2-CD1 3.8Å; I565-I569 HydrophobicContact CG2-CG1 4.5Å; I565-I569 WeakPolarHBondContact O-CG1 3.48Å; I565-I569 PolarHBondContact O-N 2.67Å; M566-I569 PolarHBondContact O-N 2.88Å; I569-K573 VanDerWaalsContact O-CB 3.28Å; I569-K573 WeakPolarHBondContact O-CB 3.3Å; I569-K573 WeakPolarHBondContact O-CG 3.38Å; I569-K573 PolarHBondContact O-N 3.36Å
570I56.6Low38.6Very low96 Ų96131.9 Ų131.949%0.49262%0.622SS.*Hα-helixtrans-73.8-34.6173.8-68.7167.1000111.9M566 Q567 R568 R574M566-I570 HydrophobicContact CG-CD1 3.93Å; M566-I570 WeakPolarHBondContact O-CB 3.31Å; M566-I570 VanDerWaalsContact O-CG1 3.29Å; M566-I570 WeakPolarHBondContact O-CG1 3.35Å; M566-I570 PolarHBondContact O-N 3.44Å; M566-I570 HydrophobicContact SD-CD1 4.32Å; Q567-I570 PolarHBondContact O-N 2.98Å; R568-I570 PolarHBondContact O-N 2.88Å; I570-R574 WeakPolarHBondContact O-CB 3.46Å; I570-R574 PolarHBondContact O-N 3.07Å
571E48.5Very low38.6Very low89 Ų89133.6 Ų133.642%0.41663%0.633SS.*Hα-helixtrans-69.2-41.4173.9-140.981.3-110.100111.6Q567 R568 R574 R575Q567-E571 WeakPolarHBondContact O-CB 2.99Å; Q567-E571 PolarHBondContact O-N 3.18Å; R568-E571 CarbonylContact O-C 3.55Å; R568-E571 WeakPolarHBondContact O-CA 3.48Å; R568-E571 WeakPolarHBondContact O-CB 3.35Å; R568-E571 PolarHBondContact O-N 3.41Å; E571-R574 WeakPolarHBondContact O-CA 3.41Å; E571-R574 VanDerWaalsContact O-CB 3.28Å; E571-R574 WeakPolarHBondContact O-CB 3.46Å; E571-R574 PolarHBondContact O-N 3.07Å; E571-R574 VanDerWaalsContact O-N 3.15Å; E571-R575 WeakPolarHBondContact O-CG 3.37Å; E571-R575 PolarHBondContact O-N 3.17Å
572E44.6Very low38.6Very low93 Ų93126.7 Ų126.744%0.43562%0.621SS.*Hα-helixtrans-66.7-46.5174.8-124.962.9-108.900110.6R568 R574 R575 Q576R568-E572 WeakPolarHBondContact O-CB 3.31Å; R568-E572 PolarHBondContact O-N 2.93Å; E572-R574 PolarHBondContact O-N 3.15Å; E572-R575 PolarHBondContact O-N 2.88Å; E572-R575 VanDerWaalsContact O-N 3.08Å; E572-Q576 WeakPolarHBondContact O-CB 3.3Å; E572-Q576 WeakPolarHBondContact O-CG 3.22Å; E572-Q576 PolarHBondContact O-N 3.48Å
573K42.2Very low39Very low129 Ų129118.3 Ų118.356%0.56160%0.603SS**Hα-helixtrans-67.8-13.1171.1-74.3-165.3173-168.10113.7I569 R577I569-K573 VanDerWaalsContact O-CB 3.28Å; I569-K573 WeakPolarHBondContact O-CB 3.3Å; I569-K573 WeakPolarHBondContact O-CG 3.38Å; I569-K573 PolarHBondContact O-N 3.36Å; K573-R577 VanDerWaalsContact O-CG 3.3Å; K573-R577 WeakPolarHBondContact O-CG 3.49Å
574R39.3Very low39.5Very low167 Ų167122.7 Ų122.763%0.6362%0.615SS**Hα-helixtrans-80.2-42.8165.6-99.3-179.8163.9-176.9-5.4111.7I570 E571 E572 R577I570-R574 WeakPolarHBondContact O-CB 3.46Å; I570-R574 PolarHBondContact O-N 3.07Å; E571-R574 WeakPolarHBondContact O-CA 3.41Å; E571-R574 VanDerWaalsContact O-CB 3.28Å; E571-R574 WeakPolarHBondContact O-CB 3.46Å; E571-R574 PolarHBondContact O-N 3.07Å; E571-R574 VanDerWaalsContact O-N 3.15Å; E572-R574 PolarHBondContact O-N 3.15Å; R574-R577 WeakPolarHBondContact O-CB 3.46Å; R574-R577 PolarHBondContact O-N 3.42Å; R574-R577 VanDerWaalsContact O-N 3.12Å
575R37.2Very low39.7Very low169 Ų169126.2 Ų126.264%0.63863%0.628SS**Hα-helixtrans-65-41.1175.8-72.2173.9168.4-144.7-9.4112.1E571 E572 R577 T578E571-R575 WeakPolarHBondContact O-CG 3.37Å; E571-R575 PolarHBondContact O-N 3.17Å; E572-R575 PolarHBondContact O-N 2.88Å; E572-R575 VanDerWaalsContact O-N 3.08Å; R575-R577 PolarHBondContact O-N 3.31Å; R575-T578 PolarHBondContact O-N 3.32Å; R575-T578 PolarHBondContact O-OG1 3.36Å; R575-T578 VanDerWaalsContact O-OG1 3.07Å
576Q38.4Very low39.7Very low133 Ų133122 Ų12262%0.62162%0.616SS**G310 helixtrans-63.7-20.2171.5-71176.8-22.400113.4E572 T578E572-Q576 WeakPolarHBondContact O-CB 3.3Å; E572-Q576 WeakPolarHBondContact O-CG 3.22Å; E572-Q576 PolarHBondContact O-N 3.48Å; Q576-T578 VanDerWaalsContact C-N 3.26Å; Q576-T578 PolarHBondContact O-N 3.47Å
577R34.6Very low40.4Very low194 Ų194120.2 Ų120.273%0.73261%0.608SS**G310 helixtrans-82.82.9170.4-75178.5-168.7-166.25.5113.5K573 R574 R575K573-R577 VanDerWaalsContact O-CG 3.3Å; K573-R577 WeakPolarHBondContact O-CG 3.49Å; R574-R577 WeakPolarHBondContact O-CB 3.46Å; R574-R577 PolarHBondContact O-N 3.42Å; R574-R577 VanDerWaalsContact O-N 3.12Å; R575-R577 PolarHBondContact O-N 3.31Å
578T28.4Very low40.9Very low107 Ų107117.4 Ų117.466%0.65660%0.599SS**G310 helixtrans-130.719.1178.555.80000115R575 Q576R575-T578 PolarHBondContact O-N 3.32Å; R575-T578 PolarHBondContact O-OG1 3.36Å; R575-T578 VanDerWaalsContact O-OG1 3.07Å; Q576-T578 VanDerWaalsContact C-N 3.26Å; Q576-T578 PolarHBondContact O-N 3.47Å
579I31.3Very low41.3Very low151 Ų151113.6 Ų113.677%0.77459%0.592SS**  trans-140.1103.8146.5-74.7102.7000108.1
580S31.5Very low41.6Very low98 Ų98111.4 Ų111.469%0.68558%0.583SS**  trans-157.896.3152.9173.20000106.5G582S580-G582 PolarHBondContact OG-O 3.15Å; S580-G582 VanDerWaalsContact OG-O 3.11Å
581V31.9Very low40.7Very low154 Ų154118.6 Ų118.693%0.93360%0.604SS**  trans-111.496165.6-179.60000105.1
582G31.5Very low40.5Very low52 Ų52121.1 Ų121.154%0.53662%0.62SS.*SBendtrans104.5137-167.900000112.3S580S580-G582 PolarHBondContact OG-O 3.15Å; S580-G582 VanDerWaalsContact OG-O 3.11Å
583S38.8Very low40.1Very low85 Ų85123.4 Ų123.459%0.59464%0.635SS**  cis-155.4128.5-15.8177.30000109.8D585S583-D585 WeakPolarHBondContact OG-CB 3.43Å; S583-D585 VanDerWaalsContact OG-CG 3.27Å; S583-D585 PolarHBondContact OG-N 2.83Å; S583-D585 PolarHBondContact OG-OD2 3.4Å
584L40.5Very low40.2Very low134 Ų134123.2 Ų123.270%0.70264%0.636SS**  trans-103.918.8162.1-158.677.1000110.2G586L584-G586 PolarHBondContact O-N 3.41Å
585D37.5Very low40.5Very low143 Ų143120.1 Ų120.177%0.76563%0.632SS**THydrogen-bonded Turntrans-73.5112.5-179-55.8-69.6000108.7S583S583-D585 WeakPolarHBondContact OG-CB 3.43Å; S583-D585 VanDerWaalsContact OG-CG 3.27Å; S583-D585 PolarHBondContact OG-N 2.83Å; S583-D585 PolarHBondContact OG-OD2 3.4Å
586G42.6Very low41.2Very low39 Ų39114.6 Ų114.640%0.40261%0.614SS.*THydrogen-bonded Turntrans85.537.5-179.400000114.8L584 A597 A598L584-G586 PolarHBondContact O-N 3.41Å; G586-A597 CarbonylContact O-C 3.4Å; G586-A597 VanDerWaalsContact O-CA 3.31Å; G586-A597 WeakPolarHBondContact O-CA 3.31Å; G586-A598 PolarHBondContact O-N 2.92Å
587M53Low41.9Very low91 Ų91110 Ų11045%0.44860%0.598SS.*EExtended strand (participates in β ladder)trans-120.4139.6152.3-61-167.886.100110.6L595 I596M587-L595 HydrophobicContact CE-CB 4.14Å; M587-L595 HydrophobicContact CE-CD2 4.08Å; M587-L595 HydrophobicContact SD-CD2 4.18Å; M587-I596 WeakPolarHBondContact CA-O 3.49Å
588V54.9Low42.5Very low70 Ų70101.8 Ų101.842%0.42457%0.572SS.*EExtended strand (participates in β ladder)trans-125.2133.6179.8178.90000108.6I596 A598 I601V588-I596 PolarHBondContact N-O 3.08Å; V588-I596 PolarHBondContact O-N 2.94Å; V588-A598 HydrophobicContact CG2-CB 4.39Å; V588-I601 HydrophobicContact CB-CD1 4.33Å; V588-I601 HydrophobicContact CG2-CD1 4.26Å
589I52.2Low43.3Very low106 Ų106100.8 Ų100.854%0.54457%0.57SS.*EExtended strand (participates in β ladder)trans-85.4125.4172.6-53.5-178000108.1E594 L595I589-E594 CarbonylContact C-O 3.29Å; I589-E594 WeakPolarHBondContact CA-O 3.5Å; I589-L595 HydrophobicContact CD1-CD1 3.97Å; I589-L595 HydrophobicContact CG1-CD1 3.74Å; I589-L595 HydrophobicContact CG1-CG 4Å
590T57.4Low43.7Very low40 Ų40100.3 Ų100.325%0.24556%0.562CS.*  trans-72.4169176.566.80000111.5D592 N593 E594 I596T590-D592 PolarHBondContact O-N 2.97Å; T590-D592 VanDerWaalsContact O-N 3.11Å; T590-D592 PolarHBondContact OG1-N 3.33Å; T590-N593 PolarHBondContact O-N 3.14Å; T590-E594 HydrophobicContact CG2-CB 4.42Å; T590-E594 PolarHBondContact N-O 2.92Å; T590-E594 PolarHBondContact OG1-N 3.3Å; T590-E594 VanDerWaalsContact OG1-N 3.1Å; T590-E594 PolarHBondContact OG1-O 2.8Å; T590-I596 HydrophobicContact CG2-CD1 3.48Å; T590-I596 VanDerWaalsContact CG2-CD1 3.48Å; T590-I596 HydrophobicContact CG2-CG1 3.93Å
591R37.9Very low44.2Very low247 Ų24799.9 Ų99.993%0.93255%0.551SS**THydrogen-bonded Turntrans-66-12177.3-154.3170.3-173.4162.9-2.4113.5
592D43.9Very low44.5Very low141 Ų14199 Ų9975%0.75454%0.539SS*.THydrogen-bonded Turntrans-107.514.8-178.4-47.9-65.9000112.1T590T590-D592 PolarHBondContact O-N 2.97Å; T590-D592 VanDerWaalsContact O-N 3.11Å; T590-D592 PolarHBondContact OG1-N 3.33Å
593N38.1Very low44.6Very low141 Ų141100.9 Ų100.975%0.75454%0.538SS*.SBendtrans65.924179.7-69.9-22.5000116.9T590T590-N593 PolarHBondContact O-N 3.14Å
594E42.7Very low44.3Very low126 Ų126101 Ų10159%0.58953%0.529SS*.  trans-89135.8168.3-64.1-169.7149.400111.6I589 T590 I596I589-E594 CarbonylContact C-O 3.29Å; I589-E594 WeakPolarHBondContact CA-O 3.5Å; T590-E594 HydrophobicContact CG2-CB 4.42Å; T590-E594 PolarHBondContact N-O 2.92Å; T590-E594 PolarHBondContact OG1-N 3.3Å; T590-E594 VanDerWaalsContact OG1-N 3.1Å; T590-E594 PolarHBondContact OG1-O 2.8Å; E594-I596 HydrophobicContact CB-CG1 4.44Å
595L45.4Very low43.9Very low102 Ų10297.4 Ų97.453%0.53451%0.51SS..EExtended strand (participates in β ladder)trans-83122.2167.6-98.884.1000110.3M587 I589M587-L595 HydrophobicContact CE-CB 4.14Å; M587-L595 HydrophobicContact CE-CD2 4.08Å; M587-L595 HydrophobicContact SD-CD2 4.18Å; I589-L595 HydrophobicContact CD1-CD1 3.97Å; I589-L595 HydrophobicContact CG1-CD1 3.74Å; I589-L595 HydrophobicContact CG1-CG 4Å
596I52.4Low43.4Very low53 Ų5399.6 Ų99.627%0.27251%0.513SS..EExtended strand (participates in β ladder)trans-126.1134.6177-53-176.1000110.2M587 V588 T590 E594 A598 K600M587-I596 WeakPolarHBondContact CA-O 3.49Å; V588-I596 PolarHBondContact N-O 3.08Å; V588-I596 PolarHBondContact O-N 2.94Å; T590-I596 HydrophobicContact CG2-CD1 3.48Å; T590-I596 VanDerWaalsContact CG2-CD1 3.48Å; T590-I596 HydrophobicContact CG2-CG1 3.93Å; E594-I596 HydrophobicContact CB-CG1 4.44Å; I596-A598 PolarHBondContact O-N 3.29Å; I596-K600 HydrophobicContact CG2-CB 4.2Å; I596-K600 HydrophobicContact CG2-CD 4.37Å
597A52.8Low42.7Very low35 Ų35101.5 Ų101.529%0.28952%0.52SS..EExtended strand (participates in β ladder)trans-65.2130.8173.700000111.4G586 S599 K600G586-A597 CarbonylContact O-C 3.4Å; G586-A597 VanDerWaalsContact O-CA 3.31Å; G586-A597 WeakPolarHBondContact O-CA 3.31Å; A597-S599 PolarHBondContact O-N 3.11Å; A597-S599 VanDerWaalsContact O-N 3.16Å; A597-K600 WeakPolarHBondContact O-CB 3.22Å; A597-K600 PolarHBondContact O-N 2.66Å
598A48.7Very low41.6Very low22 Ų22103.5 Ų103.518%0.18253%0.532CS..THydrogen-bonded Turntrans-62.6-23.3-176.900000113.3G586 V588 I596 K600 I601 I602G586-A598 PolarHBondContact O-N 2.92Å; V588-A598 HydrophobicContact CG2-CB 4.39Å; I596-A598 PolarHBondContact O-N 3.29Å; A598-K600 PolarHBondContact O-N 3.46Å; A598-I601 WeakPolarHBondContact O-CB 3.47Å; A598-I601 PolarHBondContact O-N 3.44Å; A598-I602 PolarHBondContact O-N 3.06Å
599S44Very low40.4Very low86 Ų86106.6 Ų106.660%0.60156%0.555SS**Hα-helixtrans-57.3-34.9170.751.70000112.8A597 I601 I602A597-S599 PolarHBondContact O-N 3.11Å; A597-S599 VanDerWaalsContact O-N 3.16Å; S599-I601 VanDerWaalsContact C-N 3.25Å; S599-I601 PolarHBondContact O-N 3.34Å; S599-I602 PolarHBondContact O-N 3.49Å
600K39.9Very low39.7Very low141 Ų141103.6 Ų103.661%0.61354%0.54SS*.Hα-helixtrans-68.5-21.2173.8-100.9176.5177.1173.30113.6I596 A597 A598 Q604I596-K600 HydrophobicContact CG2-CB 4.2Å; I596-K600 HydrophobicContact CG2-CD 4.37Å; A597-K600 WeakPolarHBondContact O-CB 3.22Å; A597-K600 PolarHBondContact O-N 2.66Å; A598-K600 PolarHBondContact O-N 3.46Å; K600-Q604 WeakPolarHBondContact O-CB 3.46Å
601I41.8Very low38.8Very low90 Ų90104.3 Ų104.346%0.46255%0.545SS..Hα-helixtrans-82.3-35.1178-53.8177.2000110.4V588 A598 S599 N603 Q604V588-I601 HydrophobicContact CB-CD1 4.33Å; V588-I601 HydrophobicContact CG2-CD1 4.26Å; A598-I601 WeakPolarHBondContact O-CB 3.47Å; A598-I601 PolarHBondContact O-N 3.44Å; S599-I601 VanDerWaalsContact C-N 3.25Å; S599-I601 PolarHBondContact O-N 3.34Å; I601-N603 PolarHBondContact O-N 3.16Å; I601-Q604 CarbonylContact O-C 3.36Å; I601-Q604 WeakPolarHBondContact O-CA 3.47Å; I601-Q604 PolarHBondContact O-N 3.38Å
602I39.3Very low38.9Very low134 Ų13493.5 Ų93.569%0.68751%0.507SS*.Hα-helixtrans-69.8-36.4-171.8-69.8168.8000113.1A598 S599 Q604A598-I602 PolarHBondContact O-N 3.06Å; S599-I602 PolarHBondContact O-N 3.49Å; I602-Q604 VanDerWaalsContact C-N 3.35Å
603N33.4Very low38.7Very low93 Ų9389.7 Ų89.750%0.49749%0.488SS..SBendtrans-82.3-11.5169-81.9-6.6000111.9I601 E1686 L1687I601-N603 PolarHBondContact O-N 3.16Å; N603-E1686 PolarHBondContact ND2-OE1 3.31Å; N603-L1687 HydrophobicContact CB-CB 3.91Å; N603-L1687 HydrophobicContact CB-CD2 3.26Å; N603-L1687 HydrophobicContact CB-CG 3.89Å; N603-L1687 CarbonylContact O-C 3.58Å; N603-L1687 WeakPolarHBondContact O-CB 3.44Å
604Q31.1Very low39Very low88 Ų8889.1 Ų89.141%0.41148%0.484SS..SBendtrans-93.143.2173.2-82.1-141.7-17.700115.3K600 I601 I602 L1687 N1688K600-Q604 WeakPolarHBondContact O-CB 3.46Å; I601-Q604 CarbonylContact O-C 3.36Å; I601-Q604 WeakPolarHBondContact O-CA 3.47Å; I601-Q604 PolarHBondContact O-N 3.38Å; I602-Q604 VanDerWaalsContact C-N 3.35Å; Q604-L1687 HydrophobicContact CB-CG 4.33Å; Q604-L1687 HydrophobicContact CG-CB 4.32Å; Q604-L1687 HydrophobicContact CG-CD1 3.33Å; Q604-L1687 HydrophobicContact CG-CD2 4.23Å; Q604-L1687 HydrophobicContact CG-CG 3.34Å; Q604-N1688 HydrophobicContact CB-CB 4.31Å; Q604-N1688 WeakPolarHBondContact CB-ND2 3.31Å; Q604-N1688 HydrophobicContact CG-CB 4.28Å; Q604-N1688 VanDerWaalsContact CG-CG 3.48Å; Q604-N1688 VanDerWaalsContact CG-OD1 3.29Å; Q604-N1688 WeakPolarHBondContact CG-OD1 3.47Å; Q604-N1688 PolarHBondContact NE2-OD1 2.9Å; Q604-N1688 PolarHBondContact O-ND2 3.14Å
605D32.3Very low38.9Very low57 Ų5789 Ų8931%0.30548%0.484SS..  trans168120.7138.9-94.1-4000114.8S607 N1688 T1689 P1690D605-S607 PolarHBondContact O-N 3.05Å; D605-S607 VanDerWaalsContact O-N 3.14Å; D605-N1688 WeakPolarHBondContact OD1-CB 3.3Å; D605-N1688 PolarHBondContact OD1-ND2 3.19Å; D605-T1689 HydrophobicContact CB-CG2 4.19Å; D605-T1689 WeakPolarHBondContact OD1-CG2 3.46Å; D605-P1690 WeakPolarHBondContact OD1-CD 3.17Å
606K27.8Very low38.6Very low190 Ų19090.1 Ų90.183%0.82648%0.481SS*.THydrogen-bonded Turntrans-76.585.5158.7-75.2-178.7175.7174.70111.3T1689K606-T1689 HydrophobicContact CB-CG2 3.99Å
607S27.5Very low38.3Very low78 Ų7892.5 Ų92.555%0.54549%0.493SS..THydrogen-bonded Turntrans-177-6148.544.50000117.8D605D605-S607 PolarHBondContact O-N 3.05Å; D605-S607 VanDerWaalsContact O-N 3.14Å
608L29.9Very low37.7Very low134 Ų13493.9 Ų93.970%0.70250%0.5SS*.  trans-114.464.6-165.7-92.8150.8000116.3
609C30.4Very low37.8Very low134 Ų13496 Ų9691%0.90551%0.509SS*.  trans-125.868.5165.8-75.90000112
610D37.8Very low38.1Very low44 Ų4496 Ų9624%0.23550%0.502CS..  trans-109.9117.8162.3177.734.9000109.7T117 T612 T613T117-D610 PolarHBondContact OG1-OD1 2.99Å; D610-T612 PolarHBondContact O-N 3.26Å; D610-T612 WeakPolarHBondContact OD2-CB 3.1Å; D610-T612 VanDerWaalsContact OD2-CG2 3.31Å; D610-T612 WeakPolarHBondContact OD2-CG2 3.36Å; D610-T612 PolarHBondContact OD2-OG1 3.21Å; D610-T613 PolarHBondContact O-N 3.21Å; D610-T613 VanDerWaalsContact O-N 3.08Å
611P37.6Very low38.3Very low55 Ų5592.9 Ų92.936%0.35750%0.495SS..Hα-helixtrans-63.2-13.6-174.820.7-30.7000114.7T117 N118 T613 I614 Q615T117-P611 HydrophobicContact CG2-CG 4.21Å; N118-P611 WeakPolarHBondContact OD1-CG 3.2Å; P611-T613 PolarHBondContact O-N 3.39Å; P611-I614 PolarHBondContact O-N 2.97Å; P611-Q615 PolarHBondContact O-N 2.96Å
612T39.2Very low38.5Very low19 Ų1991.5 Ų91.512%0.11749%0.49CS..Hα-helixtrans-56.7-32.9170.771.60000112.5T117 D610 R616T117-T612 HydrophobicContact CG2-CG2 3.4Å; T117-T612 VanDerWaalsContact OG1-CG2 3.23Å; T117-T612 WeakPolarHBondContact OG1-CG2 2.98Å; D610-T612 PolarHBondContact O-N 3.26Å; D610-T612 WeakPolarHBondContact OD2-CB 3.1Å; D610-T612 VanDerWaalsContact OD2-CG2 3.31Å; D610-T612 WeakPolarHBondContact OD2-CG2 3.36Å; D610-T612 PolarHBondContact OD2-OG1 3.21Å; T612-R616 VanDerWaalsContact O-CB 3.31Å; T612-R616 WeakPolarHBondContact O-CB 3.31Å; T612-R616 WeakPolarHBondContact O-CD 3Å; T612-R616 WeakPolarHBondContact O-CG 3.43Å; T612-R616 PolarHBondContact O-N 2.83Å
613T40.3Very low38.6Very low61 Ų6191.3 Ų91.337%0.37448%0.481SS..Hα-helixtrans-75.4-40.3-177.1-57.60000111.3D610 P611 R616 I617D610-T613 PolarHBondContact O-N 3.21Å; D610-T613 VanDerWaalsContact O-N 3.08Å; P611-T613 PolarHBondContact O-N 3.39Å; T613-R616 PolarHBondContact O-N 3.34Å; T613-I617 HydrophobicContact CG2-CD1 4.09Å; T613-I617 WeakPolarHBondContact O-CB 3.46Å; T613-I617 VanDerWaalsContact O-CG1 3.26Å; T613-I617 WeakPolarHBondContact O-CG1 3.38Å; T613-I617 PolarHBondContact O-N 3.37Å
614I43.9Very low39Very low129 Ų12994.6 Ų94.666%0.66249%0.491SS*.Hα-helixtrans-64.2-44.3174.4-61.1175.6000109.8P611 I617 S618P611-I614 PolarHBondContact O-N 2.97Å; I614-I617 PolarHBondContact O-N 3.39Å; I614-S618 PolarHBondContact O-N 2.84Å
615Q40.8Very low39.6Very low124 Ų12495.5 Ų95.558%0.57950%0.498SS*.Hα-helixtrans-64.3-43.5177.1-164.8166.86.400111.7P611 I617 S618 D619P611-Q615 PolarHBondContact O-N 2.96Å; Q615-I617 VanDerWaalsContact C-N 3.32Å; Q615-I617 PolarHBondContact O-N 3.36Å; Q615-S618 CarbonylContact O-C 3.58Å; Q615-S618 WeakPolarHBondContact O-CB 3.36Å; Q615-S618 PolarHBondContact O-N 2.95Å; Q615-D619 WeakPolarHBondContact O-CB 3.25Å; Q615-D619 PolarHBondContact O-N 3.16Å
616R40.2Very low39.9Very low125 Ų12597.9 Ų97.947%0.47251%0.507SS..Hα-helixtrans-63.3-33.2173.9-75.4167.2-178.7160.21113.7T612 T613 N620T612-R616 VanDerWaalsContact O-CB 3.31Å; T612-R616 WeakPolarHBondContact O-CB 3.31Å; T612-R616 WeakPolarHBondContact O-CD 3Å; T612-R616 WeakPolarHBondContact O-CG 3.43Å; T612-R616 PolarHBondContact O-N 2.83Å; T613-R616 PolarHBondContact O-N 3.34Å; R616-N620 WeakPolarHBondContact O-CB 3.22Å; R616-N620 PolarHBondContact O-N 3.27Å; R616-N620 PolarHBondContact O-ND2 2.76Å
617I44.7Very low40.5Very low103 Ų10390.9 Ų90.953%0.52848%0.484SS..Hα-helixtrans-69.4-45.5173.6-71165.1000109.7T613 I614 Q615 N620 V621T613-I617 HydrophobicContact CG2-CD1 4.09Å; T613-I617 WeakPolarHBondContact O-CB 3.46Å; T613-I617 VanDerWaalsContact O-CG1 3.26Å; T613-I617 WeakPolarHBondContact O-CG1 3.38Å; T613-I617 PolarHBondContact O-N 3.37Å; I614-I617 PolarHBondContact O-N 3.39Å; Q615-I617 VanDerWaalsContact C-N 3.32Å; Q615-I617 PolarHBondContact O-N 3.36Å; I617-N620 PolarHBondContact O-N 3.09Å; I617-V621 HydrophobicContact CG2-CG2 4.41Å; I617-V621 WeakPolarHBondContact O-CB 3.33Å; I617-V621 WeakPolarHBondContact O-CG2 3.47Å; I617-V621 PolarHBondContact O-N 2.96Å
618S40.6Very low40.8Very low64 Ų6495 Ų9545%0.44849%0.493SS..Hα-helixtrans-54.3-53.6171.2-173.80000110.8I614 Q615 N620 V621 T622I614-S618 PolarHBondContact O-N 2.84Å; Q615-S618 CarbonylContact O-C 3.58Å; Q615-S618 WeakPolarHBondContact O-CB 3.36Å; Q615-S618 PolarHBondContact O-N 2.95Å; S618-N620 VanDerWaalsContact C-N 3.27Å; S618-N620 PolarHBondContact O-N 3.07Å; S618-V621 PolarHBondContact O-N 3.46Å; S618-V621 VanDerWaalsContact O-N 3.1Å; S618-T622 WeakPolarHBondContact O-CB 3.4Å; S618-T622 PolarHBondContact O-N 3.06Å; S618-T622 PolarHBondContact O-OG1 3.49Å; S618-T622 VanDerWaalsContact O-OG1 3.07Å
619D51.9Low41Very low67 Ų6794 Ų9436%0.35849%0.487SS..Hα-helixtrans-63.6-29.7-179.4-60.3-22.2000112.9Q615 R623Q615-D619 WeakPolarHBondContact O-CB 3.25Å; Q615-D619 PolarHBondContact O-N 3.16Å; D619-R623 WeakPolarHBondContact O-CB 3.37Å; D619-R623 VanDerWaalsContact O-CG 3.31Å; D619-R623 WeakPolarHBondContact O-CG 3.28Å; D619-R623 PolarHBondContact O-N 2.94Å; D619-R623 PolarHBondContact O-NE 3.33Å; D619-R623 PolarHBondContact O-NH2 3.27Å
620N50.4Low41.3Very low85 Ų8591 Ų9146%0.45547%0.468SS..Hα-helixtrans-80.7-29.1175.1-78.6-21.2000112.6R616 I617 S618 R623 K624R616-N620 WeakPolarHBondContact O-CB 3.22Å; R616-N620 PolarHBondContact O-N 3.27Å; R616-N620 PolarHBondContact O-ND2 2.76Å; I617-N620 PolarHBondContact O-N 3.09Å; S618-N620 VanDerWaalsContact C-N 3.27Å; S618-N620 PolarHBondContact O-N 3.07Å; N620-R623 VanDerWaalsContact OD1-CZ 3.25Å; N620-R623 PolarHBondContact OD1-NH1 2.92Å; N620-R623 VanDerWaalsContact OD1-NH1 3.11Å; N620-R623 PolarHBondContact OD1-NH2 3.14Å; N620-K624 WeakPolarHBondContact O-CB 3.27Å; N620-K624 PolarHBondContact O-N 2.95Å
621V42.3Very low41Very low77 Ų7795.6 Ų95.647%0.46749%0.492SS..Hα-helixtrans-75.6-47172.6169.50000109.7I617 S618 K624 I625I617-V621 HydrophobicContact CG2-CG2 4.41Å; I617-V621 WeakPolarHBondContact O-CB 3.33Å; I617-V621 WeakPolarHBondContact O-CG2 3.47Å; I617-V621 PolarHBondContact O-N 2.96Å; S618-V621 PolarHBondContact O-N 3.46Å; S618-V621 VanDerWaalsContact O-N 3.1Å; V621-K624 CarbonylContact O-C 3.48Å; V621-K624 WeakPolarHBondContact O-CA 3.45Å; V621-K624 PolarHBondContact O-N 3.37Å; V621-I625 HydrophobicContact CG1-CD1 3.88Å; V621-I625 WeakPolarHBondContact O-CG1 3.18Å; V621-I625 PolarHBondContact O-N 3.28Å
622T46Very low40.7Very low60 Ų6098.6 Ų98.637%0.36851%0.51SS..Hα-helixtrans-55.6-51.2170-58.10000110.1S618 K624 I625 E626S618-T622 WeakPolarHBondContact O-CB 3.4Å; S618-T622 PolarHBondContact O-N 3.06Å; S618-T622 PolarHBondContact O-OG1 3.49Å; S618-T622 VanDerWaalsContact O-OG1 3.07Å; T622-K624 PolarHBondContact O-N 2.9Å; T622-I625 CarbonylContact O-C 3.57Å; T622-I625 PolarHBondContact O-N 3.43Å; T622-E626 HydrophobicContact CG2-CG 4.2Å; T622-E626 WeakPolarHBondContact O-CB 3.13Å; T622-E626 WeakPolarHBondContact O-CG 3.21Å; T622-E626 PolarHBondContact O-N 3.29Å
623R41.8Very low40.1Very low131 Ų131103.4 Ų103.449%0.49453%0.534SS..Hα-helixtrans-64.5-20.8174.3-78.5178-77.3119.75.3114.6D619 N620 A627D619-R623 WeakPolarHBondContact O-CB 3.37Å; D619-R623 VanDerWaalsContact O-CG 3.31Å; D619-R623 WeakPolarHBondContact O-CG 3.28Å; D619-R623 PolarHBondContact O-N 2.94Å; D619-R623 PolarHBondContact O-NE 3.33Å; D619-R623 PolarHBondContact O-NH2 3.27Å; N620-R623 VanDerWaalsContact OD1-CZ 3.25Å; N620-R623 PolarHBondContact OD1-NH1 2.92Å; N620-R623 VanDerWaalsContact OD1-NH1 3.11Å; N620-R623 PolarHBondContact OD1-NH2 3.14Å; R623-A627 WeakPolarHBondContact O-CB 3.37Å; R623-A627 PolarHBondContact O-N 2.85Å
624K41.4Very low39.5Very low161 Ų161105.1 Ų105.170%0.755%0.554SS**Hα-helixtrans-80.6-32.3170.1-101.3-173.4172.1-177.50113.3N620 V621 T622 K628N620-K624 WeakPolarHBondContact O-CB 3.27Å; N620-K624 PolarHBondContact O-N 2.95Å; V621-K624 CarbonylContact O-C 3.48Å; V621-K624 WeakPolarHBondContact O-CA 3.45Å; V621-K624 PolarHBondContact O-N 3.37Å; T622-K624 PolarHBondContact O-N 2.9Å; K624-K628 WeakPolarHBondContact O-CB 3.46Å; K624-K628 PolarHBondContact O-N 3.18Å
625I45.3Very low38.9Very low108 Ų108104.8 Ų104.855%0.55456%0.56SS**Hα-helixtrans-71.8-49.1173.3-68.4166.6000108.7V621 T622 A627 K628 L629V621-I625 HydrophobicContact CG1-CD1 3.88Å; V621-I625 WeakPolarHBondContact O-CG1 3.18Å; V621-I625 PolarHBondContact O-N 3.28Å; T622-I625 CarbonylContact O-C 3.57Å; T622-I625 PolarHBondContact O-N 3.43Å; I625-A627 PolarHBondContact O-N 3.03Å; I625-K628 PolarHBondContact O-N 3.34Å; I625-L629 VanDerWaalsContact O-CB 3.3Å; I625-L629 WeakPolarHBondContact O-CB 3.43Å; I625-L629 PolarHBondContact O-N 3.29Å
626E38.4Very low38.1Very low106 Ų106108.6 Ų108.650%0.49558%0.575SS.*Hα-helixtrans-58.3-45172-68.6172.8152.100111.6T622 K628 L629 S630T622-E626 HydrophobicContact CG2-CG 4.2Å; T622-E626 WeakPolarHBondContact O-CB 3.13Å; T622-E626 WeakPolarHBondContact O-CG 3.21Å; T622-E626 PolarHBondContact O-N 3.29Å; E626-K628 VanDerWaalsContact C-N 3.32Å; E626-K628 PolarHBondContact O-N 3.28Å; E626-L629 CarbonylContact O-C 3.56Å; E626-L629 PolarHBondContact O-N 3.49Å; E626-L629 VanDerWaalsContact O-N 3.15Å; E626-S630 VanDerWaalsContact O-CB 3.31Å; E626-S630 WeakPolarHBondContact O-CB 3.32Å; E626-S630 PolarHBondContact O-N 3.43Å; E626-S630 PolarHBondContact O-OG 3.2Å; E626-S630 VanDerWaalsContact O-OG 3.12Å
627A39.4Very low37.4Very low43 Ų43110.7 Ų110.736%0.35559%0.594SS.*Hα-helixtrans-66.9-29.3176.600000113.5R623 I625 S630 N631R623-A627 WeakPolarHBondContact O-CB 3.37Å; R623-A627 PolarHBondContact O-N 2.85Å; I625-A627 PolarHBondContact O-N 3.03Å; A627-S630 WeakPolarHBondContact CA-OG 3.39Å; A627-S630 PolarHBondContact O-OG 3.47Å; A627-N631 WeakPolarHBondContact O-CB 3.48Å; A627-N631 PolarHBondContact O-N 3.19Å; A627-N631 PolarHBondContact O-ND2 3.34Å; A627-N631 PolarHBondContact O-OD1 3.45Å
628K35.2Very low36.5Very low165 Ų165111.3 Ų111.372%0.71761%0.608SS**Hα-helixtrans-74.2-37.3169.5-81.7-164.1167.5-159.50111.7K624 I625 E626 T632K624-K628 WeakPolarHBondContact O-CB 3.46Å; K624-K628 PolarHBondContact O-N 3.18Å; I625-K628 PolarHBondContact O-N 3.34Å; E626-K628 VanDerWaalsContact C-N 3.32Å; E626-K628 PolarHBondContact O-N 3.28Å; K628-T632 PolarHBondContact O-N 3.16Å; K628-T632 PolarHBondContact O-OG1 2.83Å
629L34.2Very low36.1Very low113 Ų113115.7 Ų115.759%0.59262%0.624SS**Hα-helixtrans-72.6-37.1-179.6-161.866.1000111.7I625 E626 T632I625-L629 VanDerWaalsContact O-CB 3.3Å; I625-L629 WeakPolarHBondContact O-CB 3.43Å; I625-L629 PolarHBondContact O-N 3.29Å; E626-L629 CarbonylContact O-C 3.56Å; E626-L629 PolarHBondContact O-N 3.49Å; E626-L629 VanDerWaalsContact O-N 3.15Å; L629-T632 PolarHBondContact O-N 2.96Å
630S35Very low35.1Very low71 Ų71118.9 Ų118.950%0.49765%0.646SS.*Hα-helixtrans-73.3-34175.169.20000112.8E626 A627 T632 I633E626-S630 VanDerWaalsContact O-CB 3.31Å; E626-S630 WeakPolarHBondContact O-CB 3.32Å; E626-S630 PolarHBondContact O-N 3.43Å; E626-S630 PolarHBondContact O-OG 3.2Å; E626-S630 VanDerWaalsContact O-OG 3.12Å; A627-S630 WeakPolarHBondContact CA-OG 3.39Å; A627-S630 PolarHBondContact O-OG 3.47Å; S630-T632 PolarHBondContact O-N 3.33Å; S630-I633 PolarHBondContact O-N 3.4Å
631N32.4Very low33.9Very low140 Ų140123 Ų12375%0.74967%0.668SS**THydrogen-bonded Turntrans-77.5-3.1175.3-68.63.3000112.9A627A627-N631 WeakPolarHBondContact O-CB 3.48Å; A627-N631 PolarHBondContact O-N 3.19Å; A627-N631 PolarHBondContact O-ND2 3.34Å; A627-N631 PolarHBondContact O-OD1 3.45Å
632T30.9Very low33.2Very low118 Ų118122.6 Ų122.672%0.72468%0.679SS**THydrogen-bonded Turntrans-103.5-3.8175.4-46.20000112.3K628 L629 S630K628-T632 PolarHBondContact O-N 3.16Å; K628-T632 PolarHBondContact O-OG1 2.83Å; L629-T632 PolarHBondContact O-N 2.96Å; S630-T632 PolarHBondContact O-N 3.33Å
633I27.6Very low32.4Very low121 Ų121126.2 Ų126.262%0.62170%0.701SS**SBendtrans-133.3122.5-176.5-57.6179.8000111S630S630-I633 PolarHBondContact O-N 3.4Å
634A27.5Very low31.5Very low96 Ų96126.9 Ų126.979%0.79371%0.714SS**  trans88.8136.5-178.800000116.2
635P31.2Very low30.8Very low122 Ų122125 Ų12579%0.79271%0.71SS**  trans-114-169-161.644.3-35.2000114.1L637P635-L637 PolarHBondContact O-N 3.14Å
636K23.9Very low29.8Very low205 Ų205126.2 Ų126.289%0.89172%0.718SS**  trans-46.9105.5166.7-68.5174.8178.4170.40112.8
637L25.5Very low29.3Very low169 Ų169126.9 Ų126.989%0.88573%0.725SS**  trans-155.5100.3151.4-152.374.6000111.5P635P635-L637 PolarHBondContact O-N 3.14Å
638S25.3Very low28.8Very low115 Ų115130.4 Ų130.480%0.80474%0.738SS**  trans-144.165.7179.759.50000111.5
639I32.2Very low28.5Very low156 Ų156128.2 Ų128.280%0.873%0.734SS**  trans-132.1124.4172-69.1-174.4000109.5
640V30.3Very low28.3Very low134 Ų134129.7 Ų129.781%0.81274%0.743SS**  trans67.5108.9170.7177.50000117.7
641N25.5Very low28Very low173 Ų173130.9 Ų130.993%0.92576%0.757SS**  trans-80.5146.7154.8-81.1-46.5000110.4
642G29.2Very low27.7Very low67 Ų67127.8 Ų127.869%0.69176%0.758SS**  trans-164.555-17300000118.6
643V27.6Very low27.4Very low136 Ų136129.3 Ų129.382%0.82477%0.767SS**  trans57.189.1152.1-167.90000119.5
644N24.3Very low27.5Very low146 Ų146129.4 Ų129.478%0.78177%0.773SS**  65.8157.9114.8-155.514.8000123.2
645I26.2Very low27.6Very low120 Ų120131 Ų13162%0.61577%0.773SS**  trans93.5101.2156.7-52-173.3000120.4
646N24.7Very low27.6Very low135 Ų135130.1 Ų130.172%0.72277%0.767SS**  trans58.4163.8138.3-64.2-8000122
647N27.3Very low27.9Very low119 Ų119126.2 Ų126.264%0.63676%0.76SS**  cis-160.1161.4-31.1-109.8-31.1000111.4
648N27.9Very low28.1Very low117 Ų117123.9 Ų123.963%0.62676%0.758SS**  trans-0.5157151.5-49-33.2000121.5
649N29.3Very low28.3Very low120 Ų120122.3 Ų122.364%0.64276%0.76SS**  177.1158.6106.7-89.4-37.9000116.1S666N649-S666 VanDerWaalsContact O-CB 3.22Å; N649-S666 WeakPolarHBondContact O-CB 3.48Å; N649-S666 PolarHBondContact O-OG 3Å; N649-S666 VanDerWaalsContact O-OG 3.08Å
650N29.5Very low28.2Very low143 Ų143118.7 Ų118.777%0.76576%0.761SS**  trans173.5140.6134.5-94.6-14.3000110
651A29Very low28.2Very low96 Ų96118.9 Ų118.979%0.79376%0.763SS**  cis-164.1150.9-24.300000107.3
652G27.7Very low28.2Very low76 Ų76116 Ų11678%0.78476%0.756SS**  trans-173.29.8-17400000121.2
653V24.4Very low27.9Very low150 Ų150117.6 Ų117.691%0.90976%0.763SS**  trans-137.2161.8170.4-177.70000109.2
654V28.4Very low27.9Very low123 Ų123119.7 Ų119.775%0.74577%0.769SS**  trans-122.4135.5-152.4172.80000112.5
655V30.1Very low28Very low130 Ų130115.9 Ų115.979%0.78876%0.764SS**  trans70.9140.5157.4153.50000118.3
656P31.1Very low28Very low102 Ų102113.2 Ų113.266%0.66276%0.756SS**  cis-142.1-158.7-21.841.2-20.7000115.2
657T30.4Very low28.1Very low123 Ų123117.6 Ų117.676%0.75576%0.762SS**  trans78.683.1156.340.90000121.5
658S30.1Very low28.4Very low120 Ų120118.1 Ų118.184%0.83977%0.77SS**  59.5117.1122.462.10000122.7
659G29.7Very low28.5Very low83 Ų83115.8 Ų115.886%0.85677%0.774SS**  trans142.1113.3138.500000117.6
660G30Very low28.5Very low79 Ų79118.3 Ų118.381%0.81479%0.786SS**  trans91.8100.5152.300000118.8
661T29.2Very low28.3Very low138 Ų138122.4 Ų122.485%0.84779%0.791SS**  trans-35.5149.6155.746.90000116.4
662S25.2Very low28.3Very low112 Ų112124.3 Ų124.378%0.78379%0.792SS**  cis-175126.7-6.546.20000112
663A24.8Very low28.1Very low102 Ų102125.5 Ų125.584%0.84379%0.788SS**  trans-156.5171.1167.100000111.9
664L26.1Very low28.2Very low179 Ų179126.2 Ų126.294%0.93779%0.786SS**  trans-59.5158.4-173.9-7760.2000114.3
665G26.1Very low28.7Very low66 Ų66125.6 Ų125.668%0.6879%0.785SS**  cis156.5166.5-5.200000114.3
666S26Very low28.4Very low65 Ų65126.4 Ų126.446%0.45578%0.78SS.*  trans-157.4117.5173.1-1550000108N649N649-S666 VanDerWaalsContact O-CB 3.22Å; N649-S666 WeakPolarHBondContact O-CB 3.48Å; N649-S666 PolarHBondContact O-OG 3Å; N649-S666 VanDerWaalsContact O-OG 3.08Å
667R27.6Very low28.2Very low226 Ų226129 Ų12985%0.85379%0.788SS**  61136.279.9-88.7-174.3172.5-174.8-1.2113
668T33.6Very low28.1Very low131 Ų131130.1 Ų130.180%0.80479%0.794SS**  cis-141.2143.46.5490000110.4
669G30.4Very low28Very low67 Ų67131.5 Ų131.569%0.69179%0.787SS**  cis-162.2129-10.700000108.5
670L29.1Very low27.9Very low173 Ų173135.2 Ų135.291%0.90678%0.782SS**  trans-47.5140.9-176.6-9069.6000112.8
671R24.4Very low27.8Very low230 Ų230142 Ų14287%0.86879%0.785SS**  cis48114.224.5-75.1-165.8179.8-163.71.7113
672V29.3Very low27.6Very low136 Ų136143.7 Ų143.782%0.82479%0.787SS**  -153.2154.164.7158.60000110.6
673S25Very low27.7Very low100 Ų100146 Ų14670%0.69979%0.785SS**  trans-73.8144.1171.851.30000113.5
674L26.1Very low27.8Very low165 Ų165145.2 Ų145.286%0.86477%0.774SS**  trans55.1128.4136.1-15778.9000118.9
675P38.5Very low27.8Very low110 Ų110145.1 Ų145.171%0.71477%0.769SS**  cis-120.9-141.4036.3-15.6000111.8
676Q24.6Very low27.7Very low148 Ų148147.5 Ų147.569%0.69277%0.77SS**  trans68.765.4174-61-172.9-60.500118
677L26.7Very low27.6Very low157 Ų157148.1 Ų148.182%0.82277%0.774SS**SBendtrans-14828141.5-147.881.2000114.2
678V28.7Very low27.5Very low146 Ų146144.4 Ų144.489%0.88577%0.77SS**SBendtrans-116.17.3167.2-176.60000110.2
679Q26.4Very low27.1Very low148 Ų148142.6 Ų142.669%0.69276%0.763SS**SBendtrans-112.225.5-174.3-157.1164.64.200112.1
680E27.7Very low27Very low162 Ų162146 Ų14676%0.75777%0.765SS**SBendtrans-148.430.7179.1-147.8172.1-124.200113.1
681Y27.8Very low26.9Very low222 Ų222146.3 Ų146.387%0.87176%0.761SS**SBendtrans-116.2-14169.6-160.3-110.2000113.9
682I24.7Very low27Very low173 Ų173143.4 Ų143.489%0.88776%0.758SS**SBendtrans-122.756.9166.6-46.2-177000109.3
683Q27.4Very low26.9Very low159 Ų159144 Ų14474%0.74375%0.751SS**SBendtrans-14091.9159.4-158.7163.712.700110.3
684S28.4Very low27.1Very low86 Ų86146 Ų14660%0.60175%0.749SS**  trans11.1113.8171.2-168.40000118.9V686S684-V686 PolarHBondContact OG-N 2.83Å
685Q25.3Very low27.3Very low178 Ų178142.5 Ų142.583%0.83274%0.739SS**  trans-109.351.9140.2-88.4-64.7-15.300112S687Q685-S687 PolarHBondContact O-N 3.01Å
686V23.5Very low26.8Very low116 Ų116145.3 Ų145.370%0.70374%0.74SS**  trans-79.284.4139.3178.50000107.6S684S684-V686 PolarHBondContact OG-N 2.83Å
687S24.3Very low26.8Very low78 Ų78145.7 Ų145.755%0.54575%0.746SS.*  trans63.3146.1138.275.70000119.7Q685Q685-S687 PolarHBondContact O-N 3.01Å
688L25.8Very low26.6Very low148 Ų148143.3 Ų143.378%0.77574%0.742SS**  cis-168.8165.32.3-125.9170.7000110.6
689S25.7Very low26.4Very low92 Ų92141.8 Ų141.864%0.64374%0.738SS**  trans70.4162.8148.676.10000118.5
690L27Very low26.3Very low140 Ų140141.9 Ų141.973%0.73375%0.749SS**  cis-114.6171.1-7-95.5100.7000109.4
691Q27.5Very low26.2Very low179 Ų179138.2 Ų138.284%0.83675%0.746SS**SBendcis-164.8135.341.2-160.8176.716.900106.1
692Q26.8Very low26Very low169 Ų169134.8 Ų134.879%0.7974%0.743SS**  cis-127.7139.222-67.7170.4-76.300110.2
693Q26.9Very low25.9Very low149 Ų149132.9 Ų132.970%0.69673%0.734SS**  52.2141.6100.4-58.6-154.2-1100117.3
694Q29.3Very low25.8Very low140 Ų140132.6 Ų132.665%0.65474%0.736SS**  cis-169.1165.1-9-108.4-162.7106.600106.8
695S30.1Very low25.7Very low93 Ų93135.1 Ų135.165%0.6574%0.743SS**  cis-166.4176.3-13.169.30000107.6
696K27.7Very low25.6Very low168 Ų168132.3 Ų132.373%0.7373%0.733SS**  cis-134.8-118.7-4.7-145.4162.4-176.1172.40107.7
697L25.4Very low25.7Very low156 Ų156133.3 Ų133.382%0.81774%0.735SS**  cis-149113.2-9.5-176.766.4000110.1
698S22.4Very low25.7Very low107 Ų107134.7 Ų134.775%0.74874%0.744SS**  trans-158.1138.1164.455.70000109.2
699S23.8Very low25.6Very low114 Ų114135.8 Ų135.880%0.79775%0.748SS**  trans-166.5117.3167.8-64.70000110.4
700V24.2Very low25.4Very low150 Ų150137.5 Ų137.591%0.90975%0.75SS**  trans-149.5127.7166.1174.20000104
701A26.4Very low25.3Very low85 Ų85141.3 Ų141.370%0.70276%0.756SS**  cis-153.3-165-9.400000107.3
702N23.2Very low25.2Very low151 Ų151135.7 Ų135.781%0.80775%0.746SS**  trans-152.5150.1150.6-119-12.4000115.1
703L23.7Very low25Very low133 Ų133134.7 Ų134.770%0.69675%0.746SS**  trans38.2104.3167.2-82.971.9000121.8
704I24.2Very low25Very low152 Ų152133.1 Ų133.178%0.77974%0.742SS**  37.3117.4102.6-55.8166.3000118
705N25.6Very low24.8Very low140 Ų140133.8 Ų133.875%0.74975%0.745SS**  -155.9120.6125.2-147-10.3000114.6
706N24.7Very low24.6Very low118 Ų118134 Ų13463%0.63175%0.746SS**  trans30.4117.6150.1-72.4-33.4000124.6
707N24.1Very low24.4Very low138 Ų138132.2 Ų132.274%0.73875%0.75SS**  91.9133115.2-65.3-20.8000125.3
708S24.5Very low24.8Very low107 Ų107130.5 Ų130.575%0.74875%0.748SS**  trans67100.1138.461.50000123.1
709M23.4Very low25Very low171 Ų171129.9 Ų129.984%0.84275%0.75SS**  40.7121.6122.5-63.4-160-15000122.9
710N22Very low25.1Very low128 Ų128131.1 Ų131.168%0.68475%0.747SS**  88.7142.4124.9-74.5-14.3000123.9
711Y24.6Very low25.3Very low219 Ų219129.1 Ų129.186%0.85974%0.736SS**  trans67.6101.3159.5-68.9-63.9000121.3
712G25.7Very low25.2Very low61 Ų61134.1 Ų134.163%0.62974%0.742SS**  109.5113.493.400000119.4
713N23.9Very low25.4Very low149 Ų149133.1 Ų133.180%0.79774%0.741SS**  trans65.6154.5157.1-71.141.3000117.4
714D25.4Very low25.5Very low115 Ų115138 Ų13862%0.61575%0.75SS**  cis-152.4164.84.9-133-51.6000113.2
715Q26.6Very low25.3Very low155 Ų155135.5 Ų135.572%0.72475%0.746SS**  trans59.9118.2153-80.8151.666.700126
716S25.3Very low26Very low96 Ų96134 Ų13467%0.67174%0.744SS**  trans66.8104.8133.3630000124.8
717T24.4Very low25.9Very low131 Ų131133.4 Ų133.480%0.80475%0.749SS**  30145.8114.856.40000121.4
718P32.2Very low26.2Very low120 Ų120132.5 Ų132.578%0.77975%0.748SS**  cis-148.5173.342.742.9-24.1000119.1
719A26.2Very low26.2Very low94 Ų94134.7 Ų134.778%0.77775%0.75SS**  trans58.6143.516400000118.4
720D26.6Very low26.2Very low141 Ų141130.6 Ų130.675%0.75474%0.738SS**  cis-139.7170.112.7-139.7-43.1000112.8
721T28Very low26.3Very low108 Ų108133.6 Ų133.666%0.66375%0.745SS**  trans-6.1143.517136.80000121.1
722F24.8Very low26.3Very low190 Ų190130.2 Ų130.283%0.83374%0.741SS**  cis-147.1153.924.3-130.7-75.9000114
723V27.7Very low26.1Very low130 Ų130131.5 Ų131.579%0.78874%0.741SS**  trans-74.5164-170.2168.40000115.6
724R25Very low26.2Very low235 Ų235130.6 Ų130.689%0.88774%0.741SS**  cis178.1167.9-36.7-152177.1-166.6167.84.4109.3
725S21.3Very low26Very low100 Ų100131.2 Ų131.270%0.69975%0.748SS**  trans-126.7-155.8173.9630000110.1
726P40.1Very low25.9Very low107 Ų107131.6 Ų131.670%0.69575%0.754SS**  cis-137.9-153.5-2540.2-19.3000113.9
727S23.2Very low25.8Very low107 Ų107135.2 Ų135.275%0.74876%0.762SS**  trans83.4157.4158.574.40000119
728V28.6Very low26.2Very low119 Ų119134.7 Ų134.772%0.72176%0.761SS**  cis-149.4146.629.1174.90000115
729I25.8Very low25.9Very low152 Ų152135.8 Ų135.878%0.77976%0.76SS**  trans-3.5159.8146.2-47.2169.8000119.6
730S22.6Very low25.9Very low85 Ų85140.9 Ų140.959%0.59476%0.761SS**  cis172146.1-40.188.20000110.9
731K23.5Very low25.8Very low192 Ų192138.3 Ų138.384%0.83575%0.747SS**  trans65.4151.6167.2-55.2175.1179.9176.70116.2
732L24.9Very low25.6Very low148 Ų148139.3 Ų139.378%0.77575%0.753SS**  cis-173.5152.438.1-164.475.6000112.6
733S22Very low25.6Very low88 Ų88134.3 Ų134.362%0.61575%0.747SS**  trans58.4142147.456.40000125.9
734T25.4Very low25.4Very low130 Ų130134.2 Ų134.280%0.79875%0.747SS**  trans68.4146.9149.340.20000121.3
735V22.7Very low25.3Very low127 Ų127128.5 Ų128.577%0.7774%0.738SS**  cis169.5150.3-49.4152.10000109.3
736I22.9Very low25.4Very low164 Ų164131.4 Ų131.484%0.84174%0.74SS**  trans74.4138.7-179.5-16.9-175.3000118.6
737M23.9Very low24.6Very low172 Ų172132.7 Ų132.785%0.84774%0.74SS**  trans-91.7-169165.4-69.9-176.2160.300109.8
738P33.1Very low24.7Very low120 Ų120133.6 Ų133.678%0.77974%0.741SS**  cis-135.4-171.71.141-20.3000116.3
739N25.3Very low24.6Very low143 Ų143132.8 Ų132.877%0.76574%0.741SS**  trans-54.1150.1-178.1-45-20.1000115.9
740Y26.3Very low24.6Very low200 Ų200128.4 Ų128.478%0.78473%0.733SS**  -165162.4101-119.6-88.6000115
741D24.7Very low24.9Very low87 Ų87132.5 Ų132.547%0.46575%0.746SS.*  trans-45.6157.5-165-64.7-21.7000123.8
742T24.9Very low25.1Very low129 Ų129126.6 Ų126.679%0.79174%0.74SS**  trans80.793.2139.643.70000123.8
743A24.3Very low25.3Very low85 Ų85127.2 Ų127.270%0.70274%0.739SS**  87.7163.5103.400000123
744T23.6Very low25.6Very low129 Ų129128.5 Ų128.579%0.79174%0.739SS**  trans85.9116.9166.358.40000121.2
745V23.2Very low25.6Very low114 Ų114127.5 Ų127.569%0.69174%0.738SS**  77.786.2128.6179.70000118.7
746Q23Very low25.9Very low161 Ų161127.4 Ų127.475%0.75274%0.737SS**  83.2147.4111-95.4-172.3-20.800124.3
747L23.9Very low26.1Very low134 Ų134127.1 Ų127.170%0.70273%0.732SS**  trans82.4131.9140.5-76.6163.4000121.1
748V25Very low26.3Very low127 Ų127125 Ų12577%0.7772%0.723SS**  trans67.8130.7144.8171.50000116.9
749S26.3Very low25.9Very low101 Ų101126.4 Ų126.471%0.70672%0.724SS**  cis-163158.4-15.149.30000106.5
750G25.5Very low26Very low60 Ų60123.4 Ų123.462%0.61973%0.727SS**  cis102.6149.928.300000110.3
751I28.2Very low26Very low171 Ų171118.1 Ų118.188%0.87773%0.734SS**  trans73.4138.9-172.2-46.7161.8000111.9
752G27.3Very low26.1Very low68 Ų68117.1 Ų117.170%0.70174%0.744SS**  cis-163.3-171.7-4.700000108
753E30Very low26.2Very low161 Ų161120.6 Ų120.675%0.75275%0.748SS**  cis-167.3169.316.6-75.9-153.8132.700107.8
754N28.3Very low26.3Very low115 Ų115122.8 Ų122.862%0.61575%0.753SS**  cis-168.2151.5-20.8-96.7-15.2000110.8
755S25.6Very low26.5Very low110 Ų110120.7 Ų120.777%0.76976%0.757SS**  trans59.3164.7148.568.70000119.4
756V28.6Very low26.6Very low124 Ų124120.8 Ų120.875%0.75276%0.763SS**  cis-143.4144.315.1-177.80000107.3
757H27.2Very low26.9Very low159 Ų159121.8 Ų121.874%0.73677%0.765SS**  cis112.6141.16.5-156.3-61.4000114.9
758L27.8Very low27.1Very low126 Ų126122.5 Ų122.566%0.6677%0.769SS**  trans104.2118166.7-58.8172000121.5
759D25.1Very low27.1Very low150 Ų150120.8 Ų120.880%0.80277%0.768SS**  84143.8126.1-61.4-3.2000126.7
760G27.5Very low27.2Very low81 Ų81121.9 Ų121.984%0.83577%0.773SS**  trans97.5131.6172.700000114.9
761G26.1Very low27.5Very low89 Ų89127.7 Ų127.792%0.91879%0.786SS**  cis107.9125.76.100000112
762G26.3Very low27.6Very low66 Ų66125 Ų12568%0.6878%0.78SS**  cis-175-144.43.700000111.6
763F27.8Very low27.6Very low201 Ų201126.3 Ų126.388%0.88278%0.778SS**  trans68.8110.4-178.2-66.5-95.6000115.8
764T26.4Very low27.5Very low132 Ų132125.3 Ų125.381%0.8178%0.778SS**  cis93115.738.668.20000115.3
765G28.4Very low27.4Very low85 Ų85123.8 Ų123.888%0.87678%0.776SS**  trans-163.8116.8165.600000109.8
766S24.2Very low27.6Very low115 Ų115124.2 Ų124.280%0.80477%0.77SS**  trans-134.9170.4-170.4-178.50000111.5
767K28.9Very low27.6Very low182 Ų182126.1 Ų126.179%0.79177%0.771SS**  trans100.3140.1-175.1-60.6163.1-177.6177.30113.5
768N28Very low27.4Very low150 Ų150126.2 Ų126.280%0.80277%0.774SS**  cis-156.7161-6.8-107-7.1000110.3
769A26.3Very low27.4Very low90 Ų90127.2 Ų127.274%0.74478%0.778SS**  trans-85.2169.7166.700000111
770P28.4Very low27.7Very low125 Ų125125.4 Ų125.481%0.81278%0.775SS**  -146.5170.371.341.4-23.8000116.8
771M30.3Very low27.7Very low182 Ų182127.5 Ų127.590%0.89777%0.771SS**  trans-91.3167.2154.1-74.3-174161.300110.1
772P32Very low27.5Very low113 Ų113130.1 Ų130.173%0.73476%0.764SS**  -149.1172.3100.141.2-25.9000116.1
773S25.9Very low27.6Very low97 Ų97133.2 Ų133.268%0.67877%0.769SS**  trans22.4135.5150.556.50000120.5
774D27.5Very low27.6Very low140 Ų140128.2 Ų128.275%0.74976%0.759SS**  cis-128.9144.343.1-87.8-52.7000113.4
775S27.2Very low27.6Very low82 Ų82130.6 Ų130.657%0.57376%0.764SS**  66.9125.963.5101.60000112.7
776N28.8Very low27.6Very low119 Ų119134.6 Ų134.664%0.63676%0.762SS**  cis-145.4146.820-96.6-59.8000114
777Q29.6Very low27.7Very low164 Ų164136.2 Ų136.277%0.76676%0.761SS**  trans56.2166.2134.9-63.7173.73600121.3
778M23.6Very low27.4Very low162 Ų162133 Ų13380%0.79876%0.762SS**  cis-179.5-176.8-33.4-165.8163.7-170.100106.3
779I28.1Very low27.7Very low147 Ų147131.9 Ų131.975%0.75476%0.762SS**  trans77.9109.8163.9-51.5165.5000117.4
780P31.6Very low27.9Very low112 Ų112131.3 Ų131.373%0.72776%0.758SS**  trans-98-177.7149.836.6-29.3000112.2
781V26.7Very low27.9Very low124 Ų124134.7 Ų134.775%0.75276%0.76SS**  trans99.7114.2167.7-174.40000118.2
782N22.6Very low27.6Very low144 Ų144132.9 Ų132.977%0.7775%0.753SS**  trans19.8131.1146.3-51.9-10.1000122.6
783T28.6Very low27.5Very low131 Ų131135.3 Ų135.380%0.80476%0.76SS**  -164.1122.7129.58.80000109
784S26.4Very low27.7Very low96 Ų96133.7 Ų133.767%0.67176%0.759SS**  66.7140.996.880.90000115.1
785M26.5Very low27.6Very low183 Ų183133.3 Ų133.390%0.90176%0.762SS**  cis-165.7178.45.5-127169.5-167.100111
786M27.6Very low27.8Very low169 Ų169135.4 Ų135.483%0.83377%0.771SS**SBendtrans101.5115.3177.5-61.7-171-176.600114.8
787N27.9Very low27.8Very low149 Ų149137 Ų13780%0.79778%0.78SS**  cis-140.3151.6-9.4-83.7-40.7000110.4
788S21.9Very low28.2Very low115 Ų115134.6 Ų134.680%0.80478%0.778SS**  trans-127.2160.2162-47.40000107.4
789P35.3Very low28.8Very low125 Ų125132.5 Ų132.581%0.81278%0.777SS**  -145.1-166.977.844.3-26.7000111
790A28.9Very low29.4Very low79 Ų79131.1 Ų131.165%0.65378%0.777SS**  cis-164.2170.8-1.400000107.4
791F28.1Very low29.5Very low196 Ų196132 Ų13286%0.8678%0.783SS**  cis-152.3162.1-4.3-128.1-64.3000108.8
792L25.8Very low29.5Very low143 Ų143130.8 Ų130.875%0.74978%0.781SS**  trans-91.8157.8179.2-74.674.3000113.9
793N29Very low29.7Very low165 Ų165129.7 Ų129.788%0.88278%0.779SS**  163.4146.6123.4-79.8-22.3000111.2
794G29.6Very low29.6Very low63 Ų63130.1 Ų130.165%0.64978%0.782SS**  cis-178.7149.1-7.900000113.7
795T26.8Very low29.6Very low132 Ų132128.7 Ų128.781%0.8178%0.782SS**  trans27.7120.8154.460.90000122.7
796T30.8Very low29.6Very low125 Ų125131.2 Ų131.277%0.76778%0.782SS**  155.8133110.545.40000116
797N28.8Very low29.5Very low152 Ų152130.4 Ų130.481%0.81378%0.781SS**  trans60155147.1-64.9-6.9000124.4
798P38.9Very low29.8Very low114 Ų114128.8 Ų128.874%0.7478%0.778SS**  trans-104.4-168.7-175.945.2-38000112.6
799P35.2Very low30Very low119 Ų119129.5 Ų129.577%0.77378%0.778SS**  cis-130.9-162.34.348.4-29.8000113.5
800P40.1Very low29.8Very low117 Ų117128.4 Ų128.476%0.7677%0.77SS**  trans-95.7170.6-167.641.8-37.4000114.5
801P33.6Very low29.6Very low130 Ų130130.4 Ų130.484%0.84478%0.775SS**  -149.3-175.491.941-23000116
802S27.2Very low29.4Very low100 Ų100132.6 Ų132.670%0.69978%0.777SS**  trans-87.6153.6-179.654.60000115.4
803T27.9Very low29.7Very low121 Ų121132 Ų13274%0.74278%0.78SS**  158.3141.1122.444.70000114.5
804T26.2Very low29.6Very low140 Ų140132.9 Ų132.986%0.85978%0.778SS**  trans46.2146146.959.30000122.2
805G24.9Very low29.6Very low66 Ų66135.2 Ų135.268%0.6878%0.782SS**  cis160-168.43.600000112.4
806R27.9Very low29.7Very low236 Ų236136.8 Ų136.889%0.89178%0.784SS**  trans83.7116.7-177.9-56.4175.3171.7164.4-2115.5
807D24.1Very low29.5Very low151 Ų151141.6 Ų141.681%0.80779%0.788SS**  63.4139.861.5-54.8-41.1000113.4
808P34.5Very low29.2Very low115 Ų115140.1 Ų140.175%0.74779%0.789SS**  cis-149.7165.535.742.6-22000120.5
809V26.7Very low28.6Very low131 Ų131139.8 Ų139.879%0.79479%0.785SS**  10.2137.2130165.70000118
810P31.6Very low28Very low101 Ų101140.2 Ų140.266%0.65679%0.791SS**  cis-152.315644.139.6-17.7000122.1
811T24.1Very low27.2Very low122 Ų122143.1 Ų143.175%0.74879%0.794SS**  trans54.5145.3139.363.60000125.6
812R24.5Very low26.7Very low241 Ų241143.1 Ų143.191%0.90979%0.792SS**  trans72.3143.1158.9-71.8171.9175.5179.4-1.7115.9
813T32Very low26.7Very low131 Ų131144.4 Ų144.480%0.80480%0.795SS**  cis-131.1156.58.444.60000114.2
814H25.5Very low26.6Very low183 Ų183143.6 Ų143.685%0.84779%0.794SS**  trans-77.9-175.9167-56-95.1000112
815P29.6Very low26.6Very low113 Ų113143.8 Ų143.873%0.73479%0.79SS**  cis-131.3169.2-10.330-9.7000115.5
816I30.1Very low26.7Very low164 Ų164150 Ų15084%0.84180%0.798SS**SBend-168.1125.3118.2-96.4156.2000110.6
817R25.6Very low26.7Very low227 Ų227149.1 Ų149.186%0.85779%0.794SS**  trans26.995.2168.8-70.9-175.2168.3161.3-2.8119.9V819R817-V819 HydrophobicContact CG-CG2 4.34Å
818S22.4Very low26.9Very low121 Ų121147.3 Ų147.385%0.84679%0.789SS**  -93.2134.7121490000108.7
819V26.9Very low26.6Very low107 Ų107147.9 Ų147.965%0.64879%0.791SS**  trans-148107.3165.8-178.50000109.5R817 E821R817-V819 HydrophobicContact CG-CG2 4.34Å; V819-E821 HydrophobicContact CG1-CB 4.26Å
820S22.4Very low26.4Very low128 Ų128147.2 Ų147.290%0.89579%0.792SS**  trans-104.697.1146.5-69.50000106.9
821E23.9Very low26.1Very low178 Ų178152 Ų15283%0.83281%0.805SS**  trans-159.9146.8164.2-125.8169.8-157.800110.1V819V819-E821 HydrophobicContact CG1-CB 4.26Å
822T23.3Very low26.1Very low130 Ų130151 Ų15180%0.79881%0.81SS**  trans-96152.4-177.351.60000111.6
823V26.3Very low26.1Very low127 Ų127144.1 Ų144.177%0.7780%0.798SS**  179.6117.9128.7143.50000111.2
824S25.2Very low25.8Very low103 Ų103146.2 Ų146.272%0.7280%0.804SS**  trans51.5151.9137.5-48.90000122.2
825L26.6Very low25.8Very low145 Ų145142.6 Ų142.676%0.75980%0.795SS**  cis-157.4132.24.4-157.282.7000113.8
826K27.3Very low25.5Very low195 Ų195141.8 Ų141.885%0.84879%0.791SS**  trans174.6106.1136.1-99.2173.2179.3-1790107
827R28.3Very low25.3Very low218 Ų218140.8 Ų140.882%0.82378%0.783SS**  57.1127.497.6-73.8-157.3171.1163-2.2113.2
828T28.7Very low25.2Very low114 Ų114138.5 Ų138.570%0.69978%0.78SS**  cis-169.3145.76.39.40000107.9
829T27Very low25.3Very low126 Ų126139 Ų13977%0.77378%0.778SS**  cis-162.9164.5-10.5-9.90000109.7
830S23.1Very low25.2Very low117 Ų117139.3 Ų139.382%0.81879%0.785SS**  trans-148.5146.8155.757.10000110.3
831E25.2Very low25.4Very low202 Ų202141.2 Ų141.294%0.94478%0.783SS**  trans-112.599.7179-76-160.9142.100111.9
832A23.9Very low25.4Very low102 Ų102135.7 Ų135.784%0.84377%0.774SS**  trans-161.278.916400000112.1
833S24.9Very low25.4Very low95 Ų95136.4 Ų136.466%0.66478%0.778SS**  trans-172.7143.2158-174.10000112.6
834L24.7Very low25.5Very low176 Ų176136.5 Ų136.592%0.92178%0.778SS**  trans-147.4105.5136.1-126.3171.9000109.2
835T25.8Very low25.5Very low107 Ų107139 Ų13966%0.65678%0.784SS**  trans-85.8158.5175.448.40000110.6
836S23.8Very low25.8Very low95 Ų95136.9 Ų136.966%0.66478%0.779SS**  162.5178.183.657.40000108.2
837H25.4Very low25.7Very low143 Ų143135.6 Ų135.666%0.66278%0.776SS**  cis-161.7158.217.1-134.8-58.1000111.3
838F24.4Very low25.6Very low180 Ų180131 Ų13179%0.78977%0.767SS**  trans68.3143.7157.7-75.5-64.7000122.6
839T24.3Very low25.4Very low131 Ų131131.5 Ų131.580%0.80477%0.766SS**  trans-14413316849.50000110.4
840S24.7Very low25.3Very low114 Ų114133.1 Ų133.180%0.79777%0.769SS**  trans166.7166139.350.70000112.2
841I25.9Very low25.5Very low167 Ų167131.2 Ų131.286%0.85677%0.768SS**  trans74.194.5170.2-47.1176.2000116.6
842G24.4Very low25.5Very low63 Ų63129.1 Ų129.165%0.64976%0.764SS**  109.692.4100.400000121.6
843V23.6Very low25.8Very low144 Ų144132.5 Ų132.587%0.87377%0.766SS**  trans68.1154.6139.6-159.90000119.4
844V28.3Very low25.9Very low129 Ų129132.9 Ų132.978%0.78278%0.775SS**  trans8989.9169.4-165.40000117.5
845D24.4Very low26Very low156 Ų156127.9 Ų127.983%0.83477%0.766SS**  18.8160.9122.5-84.3-26.8000123.7
846P33.9Very low26Very low101 Ų101127.6 Ų127.666%0.65677%0.774SS**  trans-118.5177.1-137.943.9-37.1000116.2
847H24.6Very low26.4Very low168 Ų168131.3 Ų131.378%0.77879%0.787SS**  -174.2154.5128.9-113-81000115.8
848N27Very low26.6Very low121 Ų121131.6 Ų131.665%0.64779%0.792SS**  trans69.9111.7149-81.111.2000124.5
849N24.6Very low27.2Very low125 Ų125128.3 Ų128.367%0.66878%0.782SS**  70.4128.5119.2-70.2-1.6000124.4
850N24.6Very low27.8Very low159 Ų159126.7 Ų126.785%0.8577%0.769SS**  trans69.5125.6141.2-63.3-5.8000120.5
851G27.3Very low28.4Very low77 Ų77126.7 Ų126.779%0.79476%0.76SS**  trans149.3106.9155.300000114.4
852N25.4Very low29Very low159 Ų159126.3 Ų126.385%0.8575%0.754SS**  trans-68.4147167.6-64.6-20000110.7
853I29.8Very low29.6Very low173 Ų173128.3 Ų128.389%0.88775%0.748SS**  -178.3151.1111.6-92.1158.5000109.9
854A26.9Very low30.4Very low103 Ų103126.8 Ų126.885%0.85173%0.73SS**  trans-89.8169.2-168.200000114.7
855G26.3Very low31.5Very low71 Ų71123.3 Ų123.373%0.73271%0.714SS**  trans-169.4124165.900000112.9
856A27.6Very low32.6Very low101 Ų101120.2 Ų120.284%0.83570%0.698SS**  trans62.586.7169.700000118.4
857D30.9Very low33.6Very low173 Ų173120 Ų12093%0.92569%0.69SS**  -152.3123.1111.2-124.1-12.6000108.6
858L30.6Very low34.6Very low148 Ų148117.6 Ų117.678%0.77568%0.679SS**  trans-131.294.1-169.1-143.8167.9000109.9D860L858-D860 WeakPolarHBondContact CD2-OD1 3.15Å
859L35.5Very low35.8Very low111 Ų111116.8 Ų116.858%0.58168%0.675SS**  trans-150.698.1176-157.8161.6000106.6M863L859-M863 HydrophobicContact CD2-CE 3.73Å; L859-M863 HydrophobicContact CG-CE 4.5Å
860D37.5Very low37.2Very low98 Ų98116 Ų11652%0.52467%0.669SS.*  trans-59.9133.9-154.3-53.8-72000113.7L858 E862 M863 K864L858-D860 WeakPolarHBondContact CD2-OD1 3.15Å; D860-E862 PolarHBondContact O-N 3.5Å; D860-E862 VanDerWaalsContact O-N 3.16Å; D860-M863 PolarHBondContact O-N 3.47Å; D860-K864 PolarHBondContact O-N 3.37Å
861D37.1Very low38.5Very low114 Ų114112.5 Ų112.561%0.6165%0.65SS**Hα-helixtrans-65.1-19-177.8-75.3-49.9000112.8K864 A865D861-K864 WeakPolarHBondContact O-CB 3.43Å; D861-K864 PolarHBondContact O-N 2.74Å; D861-K864 WeakPolarHBondContact OD1-CD 3.37Å; D861-K864 WeakPolarHBondContact OD1-CE 3.33Å; D861-K864 IonicContact OD1-NZ 3.95Å; D861-K864 PolarHBondContact OD1-NZ 3.45Å; D861-A865 WeakPolarHBondContact O-CB 3.32Å; D861-A865 PolarHBondContact O-N 3.04Å
862E38.1Very low39.2Very low158 Ų158116.7 Ų116.774%0.73864%0.641SS**Hα-helixtrans-64.6-42.5171.2-166.1161.2-132.200111.7D860 K864 A865 D866D860-E862 PolarHBondContact O-N 3.5Å; D860-E862 VanDerWaalsContact O-N 3.16Å; E862-K864 VanDerWaalsContact C-N 3.31Å; E862-K864 PolarHBondContact O-N 3.3Å; E862-A865 WeakPolarHBondContact O-CA 3.17Å; E862-A865 WeakPolarHBondContact O-CB 3.39Å; E862-A865 PolarHBondContact O-N 3.35Å; E862-A865 VanDerWaalsContact O-N 3.07Å; E862-D866 PolarHBondContact O-N 3.23Å
863M38.3Very low40Very low106 Ų106115.9 Ų115.952%0.52263%0.63SS.*Hα-helixtrans-70.6-26.8174.1-171.9172.156.900112.2L859 D860 I867L859-M863 HydrophobicContact CD2-CE 3.73Å; L859-M863 HydrophobicContact CG-CE 4.5Å; D860-M863 PolarHBondContact O-N 3.47Å; M863-I867 HydrophobicContact CG-CD1 4.21Å; M863-I867 WeakPolarHBondContact O-CB 3.34Å; M863-I867 WeakPolarHBondContact O-CD1 3.4Å; M863-I867 VanDerWaalsContact O-CG1 3.25Å; M863-I867 WeakPolarHBondContact O-CG1 3.49Å; M863-I867 PolarHBondContact O-N 2.94Å
864K40.7Very low40.6Very low112 Ų112111.9 Ų111.949%0.48761%0.608SS.*Hα-helixtrans-68.1-40.5166.6-70.4-178.9-161.8145.20111.5D860 D861 E862 I867 Q868D860-K864 PolarHBondContact O-N 3.37Å; D861-K864 WeakPolarHBondContact O-CB 3.43Å; D861-K864 PolarHBondContact O-N 2.74Å; D861-K864 WeakPolarHBondContact OD1-CD 3.37Å; D861-K864 WeakPolarHBondContact OD1-CE 3.33Å; D861-K864 IonicContact OD1-NZ 3.95Å; D861-K864 PolarHBondContact OD1-NZ 3.45Å; E862-K864 VanDerWaalsContact C-N 3.31Å; E862-K864 PolarHBondContact O-N 3.3Å; K864-I867 PolarHBondContact O-N 3.45Å; K864-Q868 WeakPolarHBondContact O-CB 3.28Å; K864-Q868 VanDerWaalsContact O-CG 3.28Å; K864-Q868 WeakPolarHBondContact O-CG 3.48Å; K864-Q868 PolarHBondContact O-N 2.92Å
865A51.2Low40.8Very low55 Ų55113.7 Ų113.746%0.45560%0.6SS.*Hα-helixtrans-64.4-44.7179.300000111.1D861 E862 Q868 L869D861-A865 WeakPolarHBondContact O-CB 3.32Å; D861-A865 PolarHBondContact O-N 3.04Å; E862-A865 WeakPolarHBondContact O-CA 3.17Å; E862-A865 WeakPolarHBondContact O-CB 3.39Å; E862-A865 PolarHBondContact O-N 3.35Å; E862-A865 VanDerWaalsContact O-N 3.07Å; A865-Q868 CarbonylContact O-C 3.47Å; A865-Q868 WeakPolarHBondContact O-CB 3.29Å; A865-Q868 PolarHBondContact O-N 2.91Å; A865-L869 WeakPolarHBondContact O-CB 3.46Å; A865-L869 PolarHBondContact O-N 2.84Å
866D47.4Very low41.1Very low92 Ų92114.4 Ų114.449%0.49259%0.594SS.*Hα-helixtrans-63.7-43.8175.2-90.8-12.1000112.5E862 Q868 L869 I870E862-D866 PolarHBondContact O-N 3.23Å; D866-Q868 VanDerWaalsContact C-N 3.31Å; D866-Q868 PolarHBondContact O-N 3.21Å; D866-L869 PolarHBondContact O-N 2.85Å; D866-L869 VanDerWaalsContact O-N 3.15Å; D866-I870 WeakPolarHBondContact O-CB 3.25Å; D866-I870 VanDerWaalsContact O-CG1 3.26Å; D866-I870 WeakPolarHBondContact O-CG1 3.47Å; D866-I870 PolarHBondContact O-N 3.43Å
867I54Low41.3Very low97 Ų97116.5 Ų116.550%0.49758%0.58SS.*Hα-helixtrans-63-39.5175.9-69.2169.1000110.8M863 K864 I871M863-I867 HydrophobicContact CG-CD1 4.21Å; M863-I867 WeakPolarHBondContact O-CB 3.34Å; M863-I867 WeakPolarHBondContact O-CD1 3.4Å; M863-I867 VanDerWaalsContact O-CG1 3.25Å; M863-I867 WeakPolarHBondContact O-CG1 3.49Å; M863-I867 PolarHBondContact O-N 2.94Å; K864-I867 PolarHBondContact O-N 3.45Å; I867-I871 HydrophobicContact CG2-CD1 3.91Å; I867-I871 WeakPolarHBondContact O-CB 3.44Å; I867-I871 WeakPolarHBondContact O-CD1 3.43Å; I867-I871 WeakPolarHBondContact O-CG1 3.49Å; I867-I871 PolarHBondContact O-N 3Å; I867-I871 VanDerWaalsContact O-N 3.16Å
868Q46.9Very low41.3Very low116 Ų116114.1 Ų114.154%0.54257%0.574SS.*Hα-helixtrans-63.3-41.5172-79.5-93.5-21.200112.3K864 A865 D866 R872K864-Q868 WeakPolarHBondContact O-CB 3.28Å; K864-Q868 VanDerWaalsContact O-CG 3.28Å; K864-Q868 WeakPolarHBondContact O-CG 3.48Å; K864-Q868 PolarHBondContact O-N 2.92Å; A865-Q868 CarbonylContact O-C 3.47Å; A865-Q868 WeakPolarHBondContact O-CB 3.29Å; A865-Q868 PolarHBondContact O-N 2.91Å; D866-Q868 VanDerWaalsContact C-N 3.31Å; D866-Q868 PolarHBondContact O-N 3.21Å; Q868-R872 VanDerWaalsContact O-CB 3.24Å; Q868-R872 WeakPolarHBondContact O-CB 3.48Å; Q868-R872 PolarHBondContact O-N 3.49Å
869L52.3Low41.4Very low105 Ų105114.3 Ų114.355%0.5557%0.571SS.*Hα-helixtrans-76.5-39.3-174.2-169.5142.9000111.8A865 D866 R872 K873A865-L869 WeakPolarHBondContact O-CB 3.46Å; A865-L869 PolarHBondContact O-N 2.84Å; D866-L869 PolarHBondContact O-N 2.85Å; D866-L869 VanDerWaalsContact O-N 3.15Å; L869-R872 PolarHBondContact O-N 2.95Å; L869-K873 WeakPolarHBondContact O-CB 3.19Å; L869-K873 PolarHBondContact O-N 3.2Å
870I53.4Low41.3Very low107 Ų107115.9 Ų115.955%0.54957%0.571SS.*Hα-helixtrans-61.4-47.6170.9-68164.9000110D866 R872 K873 E874D866-I870 WeakPolarHBondContact O-CB 3.25Å; D866-I870 VanDerWaalsContact O-CG1 3.26Å; D866-I870 WeakPolarHBondContact O-CG1 3.47Å; D866-I870 PolarHBondContact O-N 3.43Å; I870-R872 VanDerWaalsContact C-N 3.33Å; I870-R872 PolarHBondContact O-N 2.95Å; I870-K873 PolarHBondContact O-N 3.27Å; I870-E874 PolarHBondContact O-N 3.26Å
871I50.6Low40.9Very low87 Ų87120.6 Ų120.645%0.44659%0.587SS.*Hα-helixtrans-61.4-41.9176.6-71.8170.1000111I867 M875I867-I871 HydrophobicContact CG2-CD1 3.91Å; I867-I871 WeakPolarHBondContact O-CB 3.44Å; I867-I871 WeakPolarHBondContact O-CD1 3.43Å; I867-I871 WeakPolarHBondContact O-CG1 3.49Å; I867-I871 PolarHBondContact O-N 3Å; I867-I871 VanDerWaalsContact O-N 3.16Å; I871-M875 HydrophobicContact CG2-CE 3.9Å; I871-M875 HydrophobicContact CG2-SD 4.35Å; I871-M875 WeakPolarHBondContact O-CG 3.31Å; I871-M875 PolarHBondContact O-N 3.43Å; I871-M875 VanDerWaalsContact O-N 3.08Å
872R43.7Very low40.4Very low165 Ų165124.5 Ų124.562%0.62360%0.598SS**Hα-helixtrans-69.8-34178-165.7178.2-59.7175.84.5113.2Q868 L869 I870Q868-R872 VanDerWaalsContact O-CB 3.24Å; Q868-R872 WeakPolarHBondContact O-CB 3.48Å; Q868-R872 PolarHBondContact O-N 3.49Å; L869-R872 PolarHBondContact O-N 2.95Å; I870-R872 VanDerWaalsContact C-N 3.33Å; I870-R872 PolarHBondContact O-N 2.95Å
873K41.6Very low40.1Very low141 Ų141121.9 Ų121.961%0.61359%0.589SS**Hα-helixtrans-69.2-42.1176.2-167.9172.9-175.5179.50110.7L869 I870 S876L869-K873 WeakPolarHBondContact O-CB 3.19Å; L869-K873 PolarHBondContact O-N 3.2Å; I870-K873 PolarHBondContact O-N 3.27Å; K873-S876 WeakPolarHBondContact O-CB 3.39Å; K873-S876 PolarHBondContact O-N 3.32Å; K873-S876 VanDerWaalsContact O-N 3.09Å; K873-S876 PolarHBondContact O-OG 3.36Å
874E41.3Very low39.8Very low90 Ų90126.7 Ų126.742%0.42161%0.607SS.*Hα-helixtrans-74.1-29.5179.2-136.270.1131.900113.1I870 S876 R877I870-E874 PolarHBondContact O-N 3.26Å; E874-S876 PolarHBondContact O-N 3Å; E874-S876 VanDerWaalsContact O-N 3.13Å; E874-R877 VanDerWaalsContact CD-NE 3.31Å; E874-R877 IonicContact OE1-CZ 2.89Å; E874-R877 IonicContact OE1-NE 3.23Å; E874-R877 IonicContact OE1-NH2 3.69Å; E874-R877 PolarHBondContact OE1-NH2 2.84Å; E874-R877 IonicContact OE2-CZ 2.71Å; E874-R877 VanDerWaalsContact OE2-CZ 3.27Å; E874-R877 IonicContact OE2-NE 3.87Å; E874-R877 PolarHBondContact OE2-NE 2.67Å; E874-R877 IonicContact OE2-NH2 3.44Å; E874-R877 PolarHBondContact OE2-NH2 3.47Å
875M32.5Very low39.2Very low140 Ų140130.8 Ų130.869%0.6963%0.626SS**THydrogen-bonded Turntrans-69.63.4167.1-69.1-173.7-5200114.5I871I871-M875 HydrophobicContact CG2-CE 3.9Å; I871-M875 HydrophobicContact CG2-SD 4.35Å; I871-M875 WeakPolarHBondContact O-CG 3.31Å; I871-M875 PolarHBondContact O-N 3.43Å; I871-M875 VanDerWaalsContact O-N 3.08Å
876S32.8Very low38Very low86 Ų86131.5 Ų131.560%0.60162%0.617SS**THydrogen-bonded Turntrans-105.40.2178.276.60000115K873 E874K873-S876 WeakPolarHBondContact O-CB 3.39Å; K873-S876 PolarHBondContact O-N 3.32Å; K873-S876 VanDerWaalsContact O-N 3.09Å; K873-S876 PolarHBondContact O-OG 3.36Å; E874-S876 PolarHBondContact O-N 3Å; E874-S876 VanDerWaalsContact O-N 3.13Å
877R31.7Very low37.2Very low145 Ų145133.1 Ų133.155%0.54763%0.631SS.*SBendtrans-74.4140.4178.4-61.6-166.6-172.5-155.111.7111.8E874 Q879E874-R877 VanDerWaalsContact CD-NE 3.31Å; E874-R877 IonicContact OE1-CZ 2.89Å; E874-R877 IonicContact OE1-NE 3.23Å; E874-R877 IonicContact OE1-NH2 3.69Å; E874-R877 PolarHBondContact OE1-NH2 2.84Å; E874-R877 IonicContact OE2-CZ 2.71Å; E874-R877 VanDerWaalsContact OE2-CZ 3.27Å; E874-R877 IonicContact OE2-NE 3.87Å; E874-R877 PolarHBondContact OE2-NE 2.67Å; E874-R877 IonicContact OE2-NH2 3.44Å; E874-R877 PolarHBondContact OE2-NH2 3.47Å; R877-Q879 VanDerWaalsContact C-N 3.26Å; R877-Q879 PolarHBondContact O-N 2.92Å
878P30.6Very low35.8Very low123 Ų123132 Ų13280%0.79964%0.642SS**THydrogen-bonded Turntrans-70.94.7-169.9-22.535.3000118.6
879Q31.6Very low35Very low153 Ų153132.3 Ų132.372%0.71566%0.655SS**THydrogen-bonded Turntrans-85.3-21.2-177.3-77.1179.5-1800114.2R877 K881R877-Q879 VanDerWaalsContact C-N 3.26Å; R877-Q879 PolarHBondContact O-N 2.92Å; Q879-K881 PolarHBondContact O-N 3.41Å
880Y33.2Very low33.7Very low144 Ų144134.1 Ų134.157%0.56567%0.67SS**  trans-87.369-175-69.2-74.9000113.6
881K29.3Very low32.5Very low197 Ų197140.2 Ų140.286%0.85769%0.686SS**  trans-121.113.2-178.8-139.4178.1-176.5-179.60116.3Q879Q879-K881 PolarHBondContact O-N 3.41Å
882K28.3Very low31.2Very low195 Ų195144.5 Ų144.585%0.84870%0.704SS**SBendtrans-105.7-25.6170.5-82.2-170171.8-173.80114.5F884K882-F884 VanDerWaalsContact C-N 3.32Å; K882-F884 PolarHBondContact O-N 3.45Å
883D30.4Very low30.4Very low104 Ų104143.4 Ų143.456%0.55672%0.715SS**G310 helixtrans-830.9-163.6-49.1-57.1000115.7F885 Y886D883-F885 PolarHBondContact O-N 2.9Å; D883-Y886 PolarHBondContact O-N 3.38Å
884F32.7Very low29.6Very low206 Ų206141.6 Ų141.690%0.90472%0.716SS**G310 helixtrans-73.24-170.8-125.6-84.6000115.5K882K882-F884 VanDerWaalsContact C-N 3.32Å; K882-F884 PolarHBondContact O-N 3.45Å
885F28.3Very low28.8Very low199 Ų199143.8 Ų143.887%0.87373%0.73SS**G310 helixtrans-102.311.5175.9-93.6-77.1000114.8D883D883-F885 PolarHBondContact O-N 2.9Å
886Y26Very low28.4Very low70 Ų70141.5 Ų141.528%0.27573%0.728SS.*SBendtrans-124.1123.7169.9-98.1-63.3000116.2R270 P271 M274 D883R270-Y886 VanDerWaalsContact C-OH 3.32Å; R270-Y886 HydrophobicContact CB-CE2 4.4Å; R270-Y886 WeakPolarHBondContact CB-OH 3.46Å; R270-Y886 HydrophobicContact CG-CE1 4.35Å; R270-Y886 WeakPolarHBondContact CG-OH 3.46Å; R270-Y886 VanDerWaalsContact NH1-CE1 3.26Å; P271-Y886 VanDerWaalsContact CA-OH 3.29Å; P271-Y886 WeakPolarHBondContact CA-OH 3.44Å; P271-Y886 HydrophobicContact CB-CE2 4.48Å; P271-Y886 WeakPolarHBondContact CB-OH 3.38Å; P271-Y886 VanDerWaalsContact CD-OH 3.24Å; P271-Y886 WeakPolarHBondContact CD-OH 3.4Å; P271-Y886 HydrophobicContact CG-CE2 4.28Å; M274-Y886 HydrophobicContact CE-CE1 4.17Å; M274-Y886 HydrophobicContact SD-CE1 4.15Å; M274-Y886 PolarHBondContact SD-OH 3.32Å; M274-Y886 VanDerWaalsContact SD-OH 3.4Å; D883-Y886 PolarHBondContact O-N 3.38Å
887T30Very low28Very low126 Ų126142.3 Ų142.377%0.77373%0.734SS**  trans68.6109.917568.50000116.4
888G25.3Very low27.7Very low72 Ų72142.4 Ų142.474%0.74274%0.742SS**  trans-118.1130.3156.600000109.6
889P29.3Very low27.4Very low124 Ų124143.3 Ų143.381%0.80574%0.74SS**  trans-82.1129.3164.731.9-29.8000109.4R891P889-R891 PolarHBondContact O-N 3.38Å
890V24.8Very low27.1Very low142 Ų142140.5 Ų140.586%0.86174%0.737SS**  trans-64.9118.5175.1176.50000109.7
891R27.8Very low26.7Very low235 Ų235137.9 Ų137.989%0.88774%0.74SS**  trans-133.8120.6157.8-109.7-173.6177.2-168.8-1.5109.8P889 V893P889-R891 PolarHBondContact O-N 3.38Å; R891-V893 PolarHBondContact O-N 3.17Å
892Q23.7Very low26.5Very low177 Ų177136.8 Ų136.883%0.82774%0.735SS**  trans-64.7125165.9-64.7164.7-64.600108.6
893V27.1Very low26.7Very low142 Ų142136.1 Ų136.186%0.86174%0.735SS**  trans-122.4126.2144.1179.30000105.4R891R891-V893 PolarHBondContact O-N 3.17Å
894V24.5Very low26.4Very low103 Ų103138.4 Ų138.462%0.62475%0.746SS**  trans-98147.8-175.7166.20000108.8
895D24.9Very low26.3Very low137 Ų137133.4 Ų133.473%0.73373%0.734SS**  trans77110164.8-78.4-38.1000122
896S23.9Very low26.4Very low92 Ų92131.3 Ų131.364%0.64373%0.731SS**  66.2107111.5-59.80000119.1
897S24.1Very low26.3Very low102 Ų102132.6 Ų132.671%0.71375%0.75SS**  79.7148.979.2880000113.5
898M26Very low26.3Very low148 Ų148135.1 Ų135.173%0.72975%0.753SS**  cis-154.1143.428.9-100.3-134.1167.200110.9
899L25Very low26.4Very low142 Ų142140.2 Ų140.274%0.74375%0.754SS**  63.115999.7-83.177.9000117.8
900S24.2Very low26.3Very low94 Ų94142.1 Ų142.166%0.65776%0.757SS**  cis174.9172.5-23.7-1780000112.4
901S25.9Very low26.3Very low89 Ų89139.9 Ų139.962%0.62275%0.748SS**  trans84160.415185.40000117.5
902K25Very low26.3Very low174 Ų174136.3 Ų136.376%0.75774%0.744SS**  cis-138.6-174.918.2-118.7134.7-168.1173.50110.1
903Q31.7Very low26.3Very low181 Ų181134.7 Ų134.785%0.84674%0.741SS**  cis-155.4174.224.7-151.7138.4-24.400113.4
904L23.7Very low26.2Very low151 Ų151135.2 Ų135.279%0.79174%0.738SS**  trans-157.1149.6-174.3-139.3172000109.9
905P31Very low26.4Very low102 Ų102135.5 Ų135.566%0.66274%0.742SS**  trans-125.8125.6155.512.410.2000112.8
906I29.9Very low26.3Very low155 Ų155136 Ų13680%0.79574%0.744SS**  80131.793.5-68.8166.7000113.8
907S25Very low26.2Very low97 Ų97138.8 Ų138.868%0.67875%0.75SS**  cis-175.1146.5-21.2-89.10000108.8
908H29.4Very low26.5Very low179 Ų179140.1 Ų140.183%0.82976%0.757SS**  trans-164.6153.9132-120.8-110.3000112.5
909K28.3Very low26.4Very low179 Ų179136.6 Ų136.678%0.77875%0.751SS**  trans-43.6148.7-171.6-62.1165.7-175.3176.60114.7
910L25.8Very low26.5Very low164 Ų164135.6 Ų135.686%0.85975%0.751SS**  cis-14114941.5-162.774.4000114.6
911S24.8Very low26.5Very low95 Ų95137.9 Ų137.966%0.66476%0.761SS**  trans-84166.4171.951.50000112.5
912I27.6Very low26.6Very low159 Ų159137.8 Ų137.882%0.81577%0.765SS**  -165.4142.788.3-89.8166.2000110.3
913N25.3Very low26.6Very low144 Ų144135.9 Ų135.977%0.7776%0.763SS**  trans-92.3167.8167.2-93.2-48.2000110.9
914L25Very low26.4Very low152 Ų152135.3 Ų135.380%0.79677%0.766SS**  trans10.1138153-89.366.5000118.3
915P27.8Very low26.4Very low109 Ų109138.9 Ų138.971%0.70877%0.769SS**  -158.417070.943.5-23.9000119.3
916I24.1Very low26.5Very low149 Ų149138.8 Ų138.876%0.76477%0.768SS**  28141.4125.9-45.1166.2000119.4
917L21.7Very low26.3Very low149 Ų149138.2 Ų138.278%0.7877%0.767SS**  trans-48.9131.3164.4-79.275.8000113.4
918P29.1Very low26.5Very low131 Ų131144 Ų14485%0.85177%0.774SS**  trans-81.9127.9143.632.5-27.9000109.2
919A25Very low26.3Very low73 Ų73140 Ų14060%0.60377%0.766SS**  trans-113.5170.8177.300000111.8
920T26Very low26.2Very low121 Ų121136.2 Ų136.274%0.74276%0.762SS**  trans60.1117.7159.453.30000120
921V25.6Very low26.1Very low143 Ų143134.7 Ų134.787%0.86776%0.76SS**SBend-127.5135.3118.61760000107.1
922A27.5Very low26Very low86 Ų86134.7 Ų134.771%0.71177%0.765SS**  trans37.3102.6169.600000117.1
923D24.3Very low25.9Very low134 Ų134131.4 Ų131.472%0.71776%0.762SS**  cis69.1103.332.9-143.2-1.3000115.4
924N28.1Very low25.7Very low169 Ų169132.3 Ų132.390%0.90476%0.759SS**  trans-167.297.6148.3-107.5-34.3000111.1
925R22.6Very low25.6Very low227 Ų227134 Ų13486%0.85776%0.755SS**  trans-83.6-179159.3-91.5-178.7175.1-174.81108.8
926P34.1Very low25.7Very low99 Ų99136.3 Ų136.364%0.64376%0.761SS**  cis-150.8-175.923.645.4-25000119.1
927N26.4Very low25.7Very low144 Ų144135.4 Ų135.477%0.7777%0.765SS**  trans74.9149.6151.6-67.2-28.6000118.5
928R27.7Very low25.8Very low218 Ų218132.9 Ų132.982%0.82376%0.759SS**  cis-154.7143.213.9-144-178.4-164.7172.83.6113.1
929S25.9Very low25.6Very low94 Ų94132.6 Ų132.666%0.65776%0.755SS**  trans49.9149142.656.40000123.3
930S25Very low25.6Very low100 Ų100136 Ų13670%0.69976%0.762SS**  cis-173.5146.4-13.9-91.20000112.1
931T24.2Very low25.6Very low133 Ų133136.4 Ų136.482%0.81676%0.758SS**  trans45.5132.8143.162.60000124
932A24Very low25.6Very low94 Ų94137.8 Ų137.878%0.77776%0.755SS**  125.7110122.300000119.6
933A23.6Very low26Very low91 Ų91137.9 Ų137.975%0.75275%0.748SS**  63.4131.3125.900000124.7
934F22.2Very low26.1Very low162 Ų162137.6 Ų137.671%0.71175%0.747SS**  trans87.7142.1136.2-103.9-118.9000123.2
935R23.2Very low26.2Very low189 Ų189137.6 Ų137.671%0.71375%0.745SS**  trans70.8127.9154.5-89.8172.6-160.817910.2121.7
936L28.9Very low26.2Very low157 Ų157135.2 Ų135.282%0.82274%0.741SS**  trans-64.5151.5137.7-71.291.6000109.2
937P25.5Very low25.9Very low130 Ų130138.6 Ų138.684%0.84475%0.752SS**  -139.7170107.639.1-28.8000113.8
938S23.2Very low25.7Very low96 Ų96139.8 Ų139.867%0.67175%0.754SS**  trans-111.6140.6179.8540000113.4
939T24.6Very low25.9Very low124 Ų124134.3 Ų134.376%0.76175%0.746SS**  trans69.6161146.254.20000122.4
940I25.5Very low25.8Very low144 Ų144137.7 Ų137.774%0.73875%0.752SS**  trans109.394.5165.5-60169.4000112.4
941I25.8Very low25.8Very low130 Ų130140.3 Ų140.367%0.66775%0.752SS**  87.3125.858.6-67.2161.5000113.1
942H25.8Very low25.7Very low172 Ų172139.2 Ų139.280%0.79675%0.749SS**  -176.4160.9128.3-102.4-78000110.5
943P35.9Very low25.7Very low89 Ų89140.5 Ų140.558%0.57875%0.752SS**  -147.9-134.2-127.441.1-14.4000114.2
944D25.8Very low25.7Very low127 Ų127144.8 Ų144.868%0.67976%0.757SS**  trans81.9113.7161.4-63.4-40.8000120.2
945I29.5Very low26Very low169 Ų169144 Ų14487%0.86777%0.766SS**  -162.7159.695.5-92.8163.5000109.7
946K23.5Very low26Very low177 Ų177142.4 Ų142.477%0.7777%0.771SS**  trans-100.9154.8-170.9-55.7170.4-179174.20113.1
947L27.4Very low26Very low170 Ų170143.5 Ų143.589%0.8978%0.777SS**  164.3155.6117-90.3149.4000114.5
948Q22Very low25.9Very low170 Ų170141.8 Ų141.879%0.79477%0.768SS**  trans-125.2-177.9161.1-62.2-173.6-16.600106.7
949P32.6Very low25.9Very low103 Ų103145 Ų14567%0.66978%0.776SS**  cis-142.1-170.24.445.1-25.6000116.8
950E22.5Very low26.1Very low165 Ų165143.6 Ų143.677%0.77178%0.777SS**  trans79.6140.6148.2-83.3-176.8-160.600125.6
951H25.7Very low26Very low154 Ų154144 Ų14471%0.71378%0.781SS**  trans56.6108.6150.8-81.3-62.3000125.5
952C22.1Very low26.1Very low111 Ų111143.9 Ų143.975%0.7579%0.792SS**  73.2146.7124.4-92.40000124.4
953S24Very low26.1Very low121 Ų121140.4 Ų140.485%0.84679%0.787SS**  trans86.8158.3156.5800000119.4
954Q23.9Very low25.7Very low180 Ų180142.8 Ų142.884%0.84179%0.794SS**  trans-89.6153.9-162.3-56.3152.9-32.600112.2
955T27.7Very low25.6Very low146 Ų146143.3 Ų143.390%0.89680%0.797SS**  -170.4158.1119.115.50000111.9
956N23.2Very low25.4Very low155 Ų155143.5 Ų143.583%0.82979%0.791SS**  trans-86.2146.2177.8-58.8-66.1000111.5
957L29Very low25.5Very low181 Ų181140 Ų14095%0.94879%0.785SS**  trans-142.5157.9141.3-134.597000109.2
958S23Very low25.7Very low94 Ų94138.4 Ų138.466%0.65778%0.777SS**  trans-149.5173.5-158.358.70000114.3
959I24.3Very low26Very low163 Ų163138 Ų13884%0.83678%0.776SS**  trans75.7109.5165.9-53.5158.7000116.4
960A28.9Very low25.8Very low95 Ų95142.4 Ų142.479%0.78578%0.784SS**  -167.1136.3120.700000110.8
961N23.8Very low26.2Very low152 Ų152141.1 Ų141.181%0.81378%0.781SS**  trans-97.5145.2174.2-68.7-31.4000111.1
962S27.7Very low26.3Very low128 Ų128139 Ų13990%0.89578%0.782SS**  trans-170.9167135.933.90000110.5
963S25Very low26.7Very low99 Ų99140 Ų14069%0.69279%0.786SS**  trans-113.9170.3-161.653.20000114.5
964N27.2Very low26.8Very low138 Ų138138.6 Ų138.674%0.73878%0.782SS**  trans101.4121.8149-70.4-13.1000121.6
965L25.3Very low27.1Very low139 Ų139135.7 Ų135.773%0.72878%0.779SS**  trans79.7109.3142.9-85.785.8000123.2
966F25.3Very low27.1Very low173 Ų173135.1 Ų135.176%0.75978%0.78SS**  88.7111.2123.3-91.7-119.6000124.2
967T25.2Very low27.4Very low104 Ų104133.4 Ų133.464%0.63878%0.777SS**  trans62.8116131.655.60000123.2
968N31.1Very low27.5Very low135 Ų135130.5 Ų130.572%0.72277%0.772SS**  -171.1115.5108.3-92.5-27.3000109.4
969Q28.3Very low27.8Very low163 Ų163133.8 Ų133.876%0.76278%0.78SS**  94.2114.376.5-88.9-165.96.300113.8
970F29.4Very low28.2Very low195 Ų195131.3 Ų131.386%0.85578%0.775SS**  trans-163.886.2134.9-116.9-71.9000113.6
971I29.2Very low28.2Very low137 Ų137135.2 Ų135.270%0.70378%0.781SS**  trans36.6116.1143.3-46.5173000120.6
972P27.8Very low28.3Very low111 Ų111134.3 Ų134.372%0.72178%0.777SS**PPolyproline II helixtrans-103.8163.8132.636.2-31.1000111.8
973P30.8Very low28.2Very low130 Ų130134.2 Ų134.284%0.84477%0.766SS**PPolyproline II helixtrans-72.6151-177.429.8-35.4000113.6
974A27.5Very low28.2Very low93 Ų93136.4 Ų136.477%0.76977%0.765SS**PPolyproline II helixtrans-100.8145.1-163.400000115.6
975P29.5Very low28.2Very low118 Ų118137.8 Ų137.877%0.76677%0.767SS**PPolyproline II helixtrans-86.7148.2154.634.9-31000111.3
976C27Very low28.1Very low135 Ų135136.1 Ų136.191%0.91277%0.767SS**PPolyproline II helixtrans-85130.3-179.9-60.90000112.5
977P29.9Very low28.2Very low119 Ų119134.9 Ų134.977%0.77377%0.767SS**  trans-106.8145.8177.237.3-30.9000114
978S32.1Very low28.3Very low120 Ų120135.9 Ų135.984%0.83977%0.773SS**  trans-145.176.2165.563.30000112.3
979I29.6Very low28.1Very low162 Ų162136.9 Ų136.983%0.83177%0.773SS**  trans22.7140146.3-67.8174.2000120.1
980P32.3Very low28Very low112 Ų112135.6 Ų135.673%0.72777%0.771SS**  trans-110.2-175.2-158.244-35.9000115.6
981L28.7Very low27.9Very low176 Ų176131 Ų13192%0.92176%0.758SS**  trans-121.9162.1156.7-135.177.4000110.5
982N24.7Very low28.1Very low134 Ų134128.2 Ų128.272%0.71775%0.75SS**  trans-139.4164.3-164.9-168.517.3000112.8
983N26.6Very low28Very low125 Ų125128.2 Ų128.267%0.66874%0.743SS**  trans70.8144.6179.2-59.9-32.2000114.8
984Q25.6Very low27.7Very low146 Ų146126.4 Ų126.468%0.68273%0.73SS**  cis-164.7172.27.6-134.5-179.745.800112.9
985Q27.2Very low27.6Very low167 Ų167124.8 Ų124.878%0.7872%0.722SS**  trans76.1167.8157.9-67.4175.539.600119.2
986S23Very low27.6Very low103 Ų103127 Ų12772%0.7273%0.726SS**  trans-168.5-178.4-138.750.90000115.5
987I26Very low27.7Very low148 Ų148126.5 Ų126.576%0.75972%0.721SS**  trans79.5120.7163.9-26.4-179.3000118.6
988V27.5Very low27.6Very low124 Ų124129.7 Ų129.775%0.75273%0.726SS**  155.6105.6121.4169.20000113.4
989H26.6Very low27.2Very low156 Ų156131.3 Ų131.372%0.72272%0.718SS**  trans43.5121.7146.5-71.3-68.6000126.6
990N26.4Very low26.9Very low137 Ų137129.1 Ų129.173%0.73372%0.717SS**  trans80172.4131.8-64.817.7000121.8
991V28.7Very low26.8Very low97 Ų97129.7 Ų129.759%0.58872%0.719SS**  cis163153.7-44.4111.80000110
992P33.2Very low27.2Very low80 Ų80126.5 Ų126.552%0.51971%0.708SS.*  cis-137.4-171.5-16.343.9-25.8000116.8F1501P992-F1501 CarbonylContact C-O 2.9Å
993L25.1Very low27.4Very low111 Ų111128 Ų12858%0.58172%0.715SS**  trans9098.8157.3-97.475.5000126.9F1501 S1502L993-F1501 VanDerWaalsContact C-C 3.41Å; L993-F1501 CarbonylContact C-O 2.93Å; L993-F1501 VanDerWaalsContact CA-O 3.24Å; L993-F1501 WeakPolarHBondContact CA-O 3.47Å; L993-F1501 PolarHBondContact N-O 2.95Å; L993-S1502 CarbonylContact C-O 3.42Å; L993-S1502 WeakPolarHBondContact CA-O 3.21Å; L993-S1502 PolarHBondContact N-O 3.08Å; L993-S1502 VanDerWaalsContact N-O 3.09Å
994T25.1Very low27.5Very low92 Ų92124.8 Ų124.856%0.56471%0.712SS**  trans76.9138.2143.548.70000123.6M1499 I1500 F1501 S1502T994-M1499 CarbonylContact O-C 3.49Å; T994-I1500 CarbonylContact O-C 3.19Å; T994-I1500 WeakPolarHBondContact O-CA 3.37Å; T994-I1500 PolarHBondContact O-N 2.99Å; T994-F1501 VanDerWaalsContact N-C 3.25Å; T994-F1501 PolarHBondContact N-O 3.48Å; T994-F1501 PolarHBondContact O-N 2.97Å; T994-S1502 PolarHBondContact N-O 3.08Å
995G25.8Very low27.6Very low58 Ų58123.2 Ų123.260%0.59872%0.717SS**  trans151.1112.216000000116.4
996L28.7Very low27.6Very low165 Ų165121.6 Ų121.686%0.86471%0.714SS**  trans-98153.5169.2-101.4158.1000110.5
997P29.2Very low28Very low124 Ų124123.1 Ų123.181%0.80571%0.712SS**  -148.6179.911838.1-21.5000115.3
998Q26.7Very low28Very low187 Ų187121.8 Ų121.887%0.87471%0.707SS**  trans-96.9170.7-175.8-70.7-178.6-30.100115.1
999F24.4Very low27.9Very low153 Ų153122.8 Ų122.867%0.67170%0.703SS**  trans-58.3146.4178.5-74.5-103.4000116M295M295-F999 HydrophobicContact CE-CE1 4.44Å; M295-F999 HydrophobicContact CE-CZ 4.39Å
1000S23.8Very low27.9Very low117 Ų117125.5 Ų125.582%0.81871%0.709SS**  trans-154135.8143.154.50000110.8
1001V29.3Very low27.9Very low124 Ų124122.3 Ų122.375%0.75271%0.708SS**  trans-160.9147.3-170.3-179.90000109.2
1002P38.6Very low27.8Very low109 Ų109121.9 Ų121.971%0.70872%0.715SS**  cis-102.7-162.5-35.133.4-14.8000108.4
1003L28.8Very low27.5Very low164 Ų164125.9 Ų125.986%0.85973%0.732SS**  cis-116.2-1800.3-76.591.5000108.2
1004G28.2Very low27.6Very low58 Ų58126.6 Ų126.660%0.59874%0.736SS**  cis125.177.410.800000108.2
1005S28.2Very low27.6Very low114 Ų114129.7 Ų129.780%0.79775%0.749SS**  91.4148.58571.20000111.4
1006N27.1Very low27.6Very low132 Ų132131.5 Ų131.571%0.70675%0.753SS**  cis-157.8-178.512.7-147.9-11.4000111.8
1007I31Very low27.6Very low135 Ų135130.2 Ų130.269%0.69275%0.747SS**  trans75.5108.1161.7-63.1153.7000114.2
1008N26.6Very low27.3Very low120 Ų120134.6 Ų134.664%0.64275%0.748SS**  79.6141.765.9-72.1-12.1000113
1009Q24.4Very low27.3Very low145 Ų145132.2 Ų132.268%0.67874%0.74SS**  cis-164.9-159.7-5-122.7173.1-8.100110
1010Y27.4Very low27.4Very low213 Ų213132.4 Ų132.484%0.83575%0.747SS**  trans77.4123.9170.6-52.3-80.2000115.6
1011G26.5Very low27.3Very low70 Ų70132 Ų13272%0.72275%0.745SS**  cis85.5109.5-6.300000114.5
1012A26.2Very low27.3Very low89 Ų89132.8 Ų132.874%0.73675%0.75SS**  trans-146.5136.6174.300000111.5
1013N26.4Very low26.8Very low164 Ų164130.7 Ų130.788%0.87775%0.748SS**  trans-143.4139.2147.6-134.8-16000106.8
1014N27.9Very low26.7Very low125 Ų125132.7 Ų132.767%0.66875%0.745SS**  trans-98.6170.3-146.8-56.9-39.8000114.4
1015N23.9Very low26.7Very low157 Ų157136.1 Ų136.184%0.8475%0.748SS**  -164.8162.1118-101-26.7000115.3
1016S27.3Very low26.7Very low96 Ų96136.7 Ų136.767%0.67174%0.743SS**  trans62.1101.7168.356.30000120
1017D27.8Very low26.8Very low139 Ų139136.4 Ų136.474%0.74374%0.741SS**  60.4149.8119.6-64.4-61.8000122.5
1018R23.5Very low26.7Very low216 Ų216134.4 Ų134.482%0.81574%0.735SS**  cis-176.6172.1-20.5-172.6164.8172.4173.8-1.7108.7
1019I26.4Very low26.7Very low137 Ų137136 Ų13670%0.70374%0.739SS**  trans109.3127.4155-59.1178.7000116.9
1020D26Very low26.7Very low156 Ų156133.9 Ų133.983%0.83474%0.74SS**  trans64.8166.1161.6-63.8-10.1000122.4
1021S22.5Very low26.7Very low109 Ų109129.1 Ų129.176%0.76273%0.733SS**  trans-155159.6-149.362.90000112.2
1022V28.5Very low26.6Very low141 Ų141133.3 Ų133.386%0.85573%0.734SS**  trans160.2123.5142.7154.20000110.5
1023G28.5Very low26.4Very low65 Ų65134.5 Ų134.567%0.6773%0.732SS**  trans73153158.800000118.2
1024Y26.3Very low26.2Very low205 Ų205132.2 Ų132.280%0.80473%0.729SS**  cis-159122.3-9.8-142.3-95.2000109.6
1025I28.7Very low26Very low130 Ų130130.8 Ų130.867%0.66774%0.735SS**  trans61.1118.8158.1-74.4-177.9000116.9
1026N27.2Very low25.9Very low127 Ų127129.4 Ų129.468%0.67973%0.732SS**  65.2149.765.8-70.926.8000111.8
1027N29.5Very low26Very low126 Ų126130.3 Ų130.367%0.67474%0.736SS**  cis-162.7175.3-0.3-107.57.1000105.6
1028T29Very low25.8Very low93 Ų93131 Ų13157%0.57174%0.738SS**  cis-163.3174.6-3.217.40000106.7
1029E27Very low25.8Very low152 Ų152125.6 Ų125.671%0.7173%0.734SS**  cis-129.9151.2-4.3-109.699.7-148.500106
1030S24Very low25.7Very low101 Ų101124.1 Ų124.171%0.70673%0.727SS**  63.8143.563.1120.90000113.4
1031V28.8Very low25.7Very low113 Ų113125 Ų12569%0.68573%0.726SS**  cis-158.1134.10.4116.30000105.6
1032E22.6Very low25.8Very low159 Ų159127.5 Ų127.574%0.74373%0.73SS**  84.1127.371.1-131.9-176.5-159.700116
1033T23.6Very low25.6Very low114 Ų114123.7 Ų123.770%0.69972%0.719SS**  trans58.4112.115647.30000123.9
1034S20.9Very low25.4Very low115 Ų115125.2 Ų125.280%0.80471%0.712SS**  82.1169.7122.8820000121.4
1035A24.2Very low25.3Very low96 Ų96119.9 Ų119.979%0.79371%0.705SS**  trans81.5143.5173.500000119.4
1036T21.7Very low25.3Very low128 Ų128119.6 Ų119.679%0.78570%0.7SS**  trans-75.1169.3170.651.50000112.7
1037P30.3Very low25.2Very low115 Ų115121.4 Ų121.475%0.74770%0.702SS**  cis-135.8-146.6-46.240.7-22.3000109.8
1038L22.3Very low25.1Very low153 Ų153121.2 Ų121.280%0.80170%0.7SS**  trans95.3140156-149.878.3000119.5
1039S24.1Very low25Very low102 Ų102123 Ų12371%0.71371%0.706SS**  trans63.2120.5152.648.40000122.1
1040N24.3Very low24.9Very low107 Ų107120.7 Ų120.757%0.57271%0.705SS**  trans-51151.1159.8-45.6-44.2000114.2I1424N1040-I1424 WeakPolarHBondContact ND2-CD1 3.41Å
1041Q26.2Very low24.9Very low173 Ų173122.7 Ų122.781%0.80871%0.708SS**  -164.5176.6110.3-111.1-176.1-2.700113.1
1042L24.6Very low24.8Very low163 Ų163125 Ų12585%0.85371%0.711SS**  trans-95.5131.7-163.5-78.170.5000114.9
1043G24.5Very low24.8Very low60 Ų60121.6 Ų121.662%0.61971%0.705SS**  trans71160.2155.800000117.6I1396G1043-I1396 WeakPolarHBondContact O-CD1 3.21Å
1044L23.5Very low25Very low97 Ų97122.4 Ų122.451%0.50871%0.71SS.*  cis175.644-8.1-161.673.1000113.8N1394 T1395 I1396L1044-N1394 HydrophobicContact CD2-CB 4.06Å; L1044-N1394 HydrophobicContact CG-CB 4.25Å; L1044-T1395 CarbonylContact O-C 3.47Å; L1044-T1395 VanDerWaalsContact O-C 3.28Å; L1044-T1395 WeakPolarHBondContact O-CA 3.49Å; L1044-T1395 WeakPolarHBondContact O-CB 3.26Å; L1044-T1395 WeakPolarHBondContact O-CG2 3.21Å; L1044-I1396 HydrophobicContact CB-CG1 3.99Å; L1044-I1396 PolarHBondContact O-N 2.88Å
1045S24.7Very low25.4Very low94 Ų94124.6 Ų124.666%0.65771%0.711SS**BIsolated β-bridgetrans-78.2128.3-145.1-168.30000124.8
1046Q27.7Very low25.5Very low123 Ų123125.6 Ų125.658%0.57571%0.708SS**  trans175.7128.5151.5-32.6167.5100.600109.9T1395 I1396Q1046-T1395 WeakPolarHBondContact CB-OG1 3.35Å; Q1046-T1395 HydrophobicContact CG-CG2 4.14Å; Q1046-T1395 VanDerWaalsContact CG-OG1 3.3Å; Q1046-T1395 WeakPolarHBondContact CG-OG1 3.48Å; Q1046-T1395 VanDerWaalsContact N-CB 3.33Å; Q1046-T1395 PolarHBondContact NE2-OG1 3.42Å; Q1046-T1395 CarbonylContact O-C 3.59Å; Q1046-T1395 VanDerWaalsContact O-C 3.27Å; Q1046-T1395 PolarHBondContact O-OG1 3.25Å; Q1046-I1396 CarbonylContact C-O 3.59Å; Q1046-I1396 WeakPolarHBondContact CA-O 3.37Å; Q1046-I1396 PolarHBondContact N-O 3.41Å; Q1046-I1396 VanDerWaalsContact N-O 3.12Å; Q1046-I1396 CarbonylContact O-C 3.48Å
1047K26.5Very low25.7Very low166 Ų166127.1 Ų127.172%0.72271%0.711SS**  -176.3133.799.1-163.7171.5-169.4176.90114.4I1396 S1397K1047-I1396 PolarHBondContact N-O 2.93Å; K1047-S1397 PolarHBondContact N-O 3.27Å; K1047-S1397 VanDerWaalsContact N-O 3.11Å; K1047-S1397 VanDerWaalsContact O-O 3.13Å
1048I27.6Very low25.6Very low122 Ų122127 Ų12763%0.62672%0.719SS**  trans-131128.9162.1-63.8179.3000108.1P1398I1048-P1398 HydrophobicContact CD1-CG 3.51Å; I1048-P1398 HydrophobicContact CG1-CG 3.36Å
1049D25Very low25.7Very low131 Ų131123.3 Ų123.370%0.70172%0.718SS**  trans29.4135.6148.3-47.6-21.9000120.8
1050C25.2Very low25.7Very low102 Ų102126.1 Ų126.169%0.68973%0.725SS**  cis69.7139.849-61.40000112.9
1051D24.3Very low25.6Very low143 Ų143128.8 Ų128.877%0.76573%0.734SS**  cis-153.8-166.3-13.1-117.7-65.5000107.5
1052E26.4Very low25.4Very low161 Ų161131.1 Ų131.175%0.75274%0.735SS**  cis-150.9-162.717-147.4-108.593.400110.5
1053S23.8Very low25.4Very low88 Ų88131.7 Ų131.762%0.61573%0.734SS**  trans-107.4-178.9-173.6780000114.7
1054T28Very low25.4Very low132 Ų132137.2 Ų137.281%0.8174%0.743SS**  trans-158.2146.6160.9-230000115
1055I29.1Very low25.6Very low161 Ų161138.7 Ų138.783%0.82675%0.751SS**  trans79.1134.2167.1-49.8-174.8000116.5
1056T26.7Very low25.5Very low117 Ų117142.7 Ų142.772%0.71876%0.759SS**  trans-142.4152.1-163.144.80000114.7
1057N25.1Very low25.5Very low159 Ų159144.5 Ų144.585%0.8577%0.768SS**  trans47.5113.6144.9-59.3-13.6000122
1058A27.9Very low25.6Very low112 Ų112139.9 Ų139.993%0.92677%0.767SS**  trans-138.8161.7135.100000107.9
1059G25.4Very low25.6Very low76 Ų76141 Ų14178%0.78477%0.773SS**  trans-151.7-171.8-169.400000117.7
1060L23.4Very low25.8Very low161 Ų161141.2 Ų141.284%0.84377%0.773SS**  trans83.1122.2172.9-13980000119.2
1061Q22.1Very low25.7Very low164 Ų164141.6 Ų141.677%0.76677%0.768SS**  trans76134.6145.8-99177.3-10.400122.9
1062R21.7Very low25.7Very low221 Ų221143.8 Ų143.883%0.83477%0.771SS**  trans66.2157.9171.5-57-174.9177.7-159.1-2.2113.7
1063Q25.2Very low25.7Very low176 Ų176138.8 Ų138.882%0.82276%0.763SS**  cis-145.1163.86.1-151.9154.9-33.500109.9
1064Q24Very low25.9Very low175 Ų175141.4 Ų141.482%0.81878%0.775SS**  trans-109.5137.8175.1-151-177.73.200111.2
1065L28.1Very low25.6Very low128 Ų128141.8 Ų141.867%0.6777%0.772SS**  trans47.9126.5158.1-119.871.9000121.9E1067L1065-E1067 HydrophobicContact CD2-CG 3.98Å; L1065-E1067 HydrophobicContact CG-CG 4.37Å
1066Q22.3Very low25.4Very low178 Ų178140.3 Ų140.383%0.83277%0.765SS**  trans-153.3120.8135.7-125170.1-8.800105.5
1067E26.9Very low25.3Very low162 Ų162142.1 Ų142.176%0.75777%0.77SS**  cis63.9142.543.4-74-162.5-170.500116L1065L1065-E1067 HydrophobicContact CD2-CG 3.98Å; L1065-E1067 HydrophobicContact CG-CG 4.37Å
1068G28.7Very low25.2Very low68 Ų68142.4 Ų142.470%0.70177%0.772SS**  trans172.5151.5162.600000113.4
1069L27.6Very low25.1Very low145 Ų145140.4 Ų140.476%0.75976%0.762SS**  cis-170.4157.3-12.8-144.472.8000106.2
1070I30Very low25.1Very low136 Ų136144.9 Ų144.970%0.69777%0.768SS**  cis-144173.86.8-7.6175.9000105.1
1071D23.9Very low25.1Very low110 Ų110144.7 Ų144.759%0.58877%0.773SS**  cis-158.9170.1-0.1-136.1-16.9000104.8
1072F23.4Very low25.2Very low189 Ų189140.2 Ų140.283%0.82977%0.771SS**  cis-138.3172.59.6-56-87.4000108.3
1073G25.7Very low25.4Very low56 Ų56134.1 Ų134.158%0.57777%0.768SS**  cis137.1130.4-5.800000111.9
1074V28.1Very low25.4Very low144 Ų144131.4 Ų131.487%0.87376%0.763SS**  trans67.8113.7-178.1-168.90000113.2
1075D21.6Very low25.5Very low139 Ų139130.4 Ų130.474%0.74376%0.758SS**  cis90.4136.522.1-148.915.3000115.1
1076I26.1Very low25.4Very low131 Ų131131.8 Ų131.867%0.67277%0.765SS**  trans83137.6165.4-62.6168.5000121.2
1077D25Very low25.7Very low154 Ų154126.5 Ų126.582%0.82476%0.759SS**  trans76.2140.5159.5-71.1-13000125
1078D22.9Very low25.5Very low166 Ų166125.5 Ų125.589%0.88876%0.758SS**  trans-74.4160.7177.8-60.2-76.4000114
1079G24.5Very low25.5Very low70 Ų70128.8 Ų128.872%0.72276%0.759SS**  trans176.1108.2168.300000116.7
1080D25.7Very low25.7Very low169 Ų169128.1 Ų128.190%0.90476%0.757SS**  trans40.5115.2154.2-62.8-19000121.8
1081V23.2Very low25.7Very low158 Ų158127.5 Ų127.596%0.95875%0.753SS**  trans-100.8129.6155.9172.70000109.2
1082G25Very low25.7Very low70 Ų70129.1 Ų129.172%0.72276%0.762SS**  trans139.891.4152.400000118.8
1083A25.8Very low26Very low93 Ų93126.8 Ų126.877%0.76976%0.757SS**  trans-157.2132.3137.800000108.5
1084V25.5Very low26.1Very low119 Ų119133.4 Ų133.472%0.72177%0.773SS**  cis76.5125.935.1-172.40000109
1085E24.6Very low26.1Very low153 Ų153133 Ų13372%0.71577%0.766SS**  cis-160.9-163.629.6-151.8152.4-134.700114.4
1086L27.3Very low26.4Very low157 Ų157134.8 Ų134.882%0.82277%0.769SS**  trans88.5116.2159.9-47.4-177.2000116.7
1087G27.4Very low26.6Very low67 Ų67135.1 Ų135.169%0.69177%0.773SS**  cis-167.5141.6-7.600000108.5
1088L24Very low26.6Very low142 Ų142134.7 Ų134.774%0.74377%0.77SS**  88.814168-83.3177.7000113.9
1089D28.8Very low27Very low136 Ų136132.9 Ų132.973%0.72776%0.761SS**  trans67.4136.5168.9-40.7-24.4000117
1090D30.3Very low27.1Very low132 Ų132140.3 Ų140.371%0.70677%0.767SS**  cis-162.5148.6-3.1-125.1-8000113.1
1091I30.3Very low27.3Very low122 Ų122139.2 Ų139.263%0.62676%0.761SS**  trans60.5114.3143.8-65.4164.2000122
1092D25Very low27.6Very low144 Ų144137.1 Ų137.177%0.7775%0.749SS**  42.5159.2126.4-35.3-23.8000121.6
1093I29.5Very low27.6Very low140 Ų140140.9 Ų140.972%0.71875%0.751SS**  cis-149.114021-56162.2000109.8
1094E27.6Very low27.7Very low195 Ų195144.1 Ų144.191%0.91175%0.754SS**  trans-177.7101.9130-104.8178.8-160.600110
1095D28.3Very low28Very low136 Ų136146 Ų14673%0.72776%0.757SS**  trans-90.1156.1179.8-58.2-72.6000112.8
1096E27.6Very low28.3Very low176 Ų176145.6 Ų145.682%0.82276%0.76SS**  trans60.4143.2153.4-68.5169.1173.700117.9
1097D29.2Very low28.4Very low139 Ų139145 Ų14574%0.74376%0.758SS**  cis-152.617715.1-139.3-14.3000113.6
1098D26.2Very low28.7Very low144 Ų144148.4 Ų148.477%0.7776%0.76SS**  trans-35.5138.6178.2-88.6-35.8000118.4
1099N31.8Very low29Very low128 Ų128148.6 Ų148.668%0.68476%0.762SS**  -163.2137.9100.1-16615.1000112.9D1101N1099-D1101 PolarHBondContact ND2-OD2 3.32Å
1100R26.2Very low29.3Very low227 Ų227147.7 Ų147.786%0.85775%0.753SS**  trans-111.795.5169.9-77.8-172.2178.8-174.23.4111
1101D29.6Very low29.3Very low145 Ų145144.8 Ų144.878%0.77575%0.747SS**  trans-96.5104.5164.4-85.7-58.2000110.9N1099N1099-D1101 PolarHBondContact ND2-OD2 3.32Å
1102T28.8Very low29.6Very low115 Ų115144.5 Ų144.571%0.70675%0.751SS**  trans-132.3107.1174.7-63.50000109.8
1103I26.3Very low29.9Very low149 Ų149147.2 Ų147.276%0.76475%0.752SS**  trans51.7107.2156.8-51.6169.4000116.1
1104L28.1Very low30.2Very low161 Ų161143.7 Ų143.784%0.84374%0.737SS**  trans-127.8100.7141.4-104.4164.2000108.2
1105M31.2Very low30.7Very low159 Ų159143.3 Ų143.378%0.78373%0.727SS**  trans-89.9158.2152.9-75.8-170.1167.800107.7D1107M1105-D1107 PolarHBondContact O-N 3.43Å
1106N30.9Very low31.3Very low144 Ų144141.3 Ų141.377%0.7772%0.722SS**  trans-74.8116.2-174.6-61-24.5000111.2D1108N1106-D1108 PolarHBondContact O-N 2.86Å
1107D30.1Very low31.9Very low144 Ų144139.7 Ų139.777%0.7772%0.715SS**THydrogen-bonded Turntrans-7763.8175.2-71.9-34.7000112.3M1105M1105-D1107 PolarHBondContact O-N 3.43Å
1108D32Very low32.2Very low139 Ų139141.1 Ų141.174%0.74371%0.714SS**THydrogen-bonded Turntrans-120.4-29.6173.9-89.8-53000113.7N1106N1106-D1108 PolarHBondContact O-N 2.86Å
1109D30.7Very low33Very low145 Ų145138 Ų13878%0.77570%0.703SS**G310 helixtrans-87.9-15.5-173.4-75.7-54.7000115.5A1111D1109-A1111 PolarHBondContact O-N 3.24Å
1110E34.6Very low33.5Very low118 Ų118137.9 Ų137.955%0.55170%0.697SS**G310 helixtrans-76-8.3-175.2-148-176.6-167.900114V1112 T1114E1110-V1112 VanDerWaalsContact C-N 3.33Å; E1110-V1112 PolarHBondContact O-N 3.49Å; E1110-T1114 HydrophobicContact CG-CG2 4.15Å; E1110-T1114 PolarHBondContact O-OG1 2.95Å
1111A32.1Very low34.3Very low70 Ų70130.6 Ų130.658%0.57968%0.675SS**G310 helixtrans-70.8-21.9-176.300000114.6D1109D1109-A1111 PolarHBondContact O-N 3.24Å
1112V36.4Very low35Very low116 Ų116126.4 Ų126.470%0.70365%0.65SS**THydrogen-bonded Turntrans-82.5-42.2-174.3-177.90000112.2E1110E1110-V1112 VanDerWaalsContact C-N 3.33Å; E1110-V1112 PolarHBondContact O-N 3.49Å
1113Y31.1Very low35.7Very low201 Ų201124.7 Ų124.779%0.78864%0.642SS**THydrogen-bonded Turntrans-82.4-38-175.2-94.2-86.9000114R1115 C1116Y1113-R1115 PolarHBondContact O-N 2.83Å; Y1113-R1115 VanDerWaalsContact O-N 3.16Å; Y1113-C1116 PolarHBondContact O-N 3.18Å
1114T34.7Very low36.8Very low66 Ų66121.4 Ų121.441%0.40563%0.625SS.*Hα-helixtrans-63.7-22.3-177.250.10000113.6E1110 C1116E1110-T1114 HydrophobicContact CG-CG2 4.15Å; E1110-T1114 PolarHBondContact O-OG1 2.95Å; T1114-C1116 VanDerWaalsContact C-N 3.31Å; T1114-C1116 PolarHBondContact O-N 3.49Å
1115R38.5Very low37.8Very low188 Ų188122.9 Ų122.971%0.70962%0.62SS**Hα-helixtrans-68.2-26.1178.3-152.6165.9-172.5159-1.8113.3Y1113Y1113-R1115 PolarHBondContact O-N 2.83Å; Y1113-R1115 VanDerWaalsContact O-N 3.16Å
1116C40.5Very low38.5Very low93 Ų93119.2 Ų119.263%0.62860%0.603SS**Hα-helixtrans-76.2-41.1178.6-171.10000112.5Y1113 T1114 K1118 C1119 F1120Y1113-C1116 PolarHBondContact O-N 3.18Å; T1114-C1116 VanDerWaalsContact C-N 3.31Å; T1114-C1116 PolarHBondContact O-N 3.49Å; C1116-K1118 VanDerWaalsContact C-N 3.34Å; C1116-K1118 PolarHBondContact O-N 3.28Å; C1116-C1119 PolarHBondContact O-N 3.41Å; C1116-F1120 PolarHBondContact O-N 2.77Å
1117Q40.9Very low38.7Very low143 Ų143114 Ų11467%0.66858%0.577SS**Hα-helixtrans-69.2-29.1-172.2-167.9166.3-6.500113.6F1120 D1121Q1117-F1120 PolarHBondContact O-N 3.45Å; Q1117-D1121 PolarHBondContact O-N 3.18Å
1118K36.5Very low39.3Very low168 Ų168111.7 Ų111.773%0.7359%0.587SS**Hα-helixtrans-73.1-32.5173.9-71.1-178.1178.7175.10112.9C1116 F1120 H1122C1116-K1118 VanDerWaalsContact C-N 3.34Å; C1116-K1118 PolarHBondContact O-N 3.28Å; K1118-F1120 VanDerWaalsContact C-N 3.32Å; K1118-H1122 VanDerWaalsContact O-CB 3.31Å; K1118-H1122 WeakPolarHBondContact O-CB 3.39Å; K1118-H1122 PolarHBondContact O-N 2.84Å
1119C42.4Very low39.7Very low78 Ų78108.5 Ų108.553%0.52758%0.576SS.*Hα-helixtrans-67-35171.9-63.50000111.8C1116 H1122 C1123C1116-C1119 PolarHBondContact O-N 3.41Å; C1119-H1122 PolarHBondContact O-N 3.5Å; C1119-C1123 PolarHBondContact O-N 3.12Å; C1119-C1123 PolarHBondContact O-SG 2.92Å; C1119-C1123 VanDerWaalsContact O-SG 3.34Å
1120F41.2Very low40.2Very low127 Ų127103.6 Ų103.656%0.55756%0.555SS**Hα-helixtrans-64.8-49.7178.1-167.5-100.7000112.6C1116 Q1117 K1118 H1122 C1123 I1124C1116-F1120 PolarHBondContact O-N 2.77Å; Q1117-F1120 PolarHBondContact O-N 3.45Å; K1118-F1120 VanDerWaalsContact C-N 3.32Å; F1120-H1122 VanDerWaalsContact C-N 3.29Å; F1120-H1122 PolarHBondContact O-N 2.89Å; F1120-C1123 PolarHBondContact O-N 3.38Å; F1120-I1124 HydrophobicContact CD1-CD1 3.79Å; F1120-I1124 HydrophobicContact CE1-CD1 3.5Å; F1120-I1124 HydrophobicContact CZ-CD1 4.09Å; F1120-I1124 WeakPolarHBondContact O-CG1 3.02Å; F1120-I1124 PolarHBondContact O-N 3.48Å
1121D43.2Very low40.6Very low73 Ų73105.5 Ų105.539%0.3957%0.568SS.*Hα-helixtrans-67.8-30.3177.7-150.767.5000112.1Q1117 I1124 R1125Q1117-D1121 PolarHBondContact O-N 3.18Å; D1121-I1124 PolarHBondContact O-N 2.98Å; D1121-R1125 WeakPolarHBondContact O-CG 3.45Å; D1121-R1125 PolarHBondContact O-N 3.17Å; D1121-R1125 IonicContact OD2-CZ 3.36Å; D1121-R1125 VanDerWaalsContact OD2-CZ 3.31Å; D1121-R1125 IonicContact OD2-NE 3.68Å; D1121-R1125 PolarHBondContact OD2-NE 3.16Å; D1121-R1125 IonicContact OD2-NH2 3.08Å; D1121-R1125 PolarHBondContact OD2-NH2 2.83Å
1122H44.5Very low40.8Very low58 Ų58109.7 Ų109.727%0.26957%0.574SS.*Hα-helixtrans-66.4-43.9174.8-169.99000112K1118 C1119 F1120 I1124 R1125 L1126 Y1389K1118-H1122 VanDerWaalsContact O-CB 3.31Å; K1118-H1122 WeakPolarHBondContact O-CB 3.39Å; K1118-H1122 PolarHBondContact O-N 2.84Å; C1119-H1122 PolarHBondContact O-N 3.5Å; F1120-H1122 VanDerWaalsContact C-N 3.29Å; F1120-H1122 PolarHBondContact O-N 2.89Å; H1122-I1124 VanDerWaalsContact C-N 3.32Å; H1122-I1124 PolarHBondContact O-N 2.91Å; H1122-R1125 PolarHBondContact O-N 2.92Å; H1122-L1126 WeakPolarHBondContact ND1-CD1 3.5Å; H1122-L1126 PolarHBondContact O-N 3.41Å; H1122-Y1389 AromaticContact CD2-CE2 3.91Å; H1122-Y1389 AromaticContact CD2-CZ 3.57Å; H1122-Y1389 PolarHBondContact CD2-OH 2.92Å; H1122-Y1389 AromaticContact CE1-CD1 3.87Å; H1122-Y1389 AromaticContact CE1-CE1 3.36Å; H1122-Y1389 WeakPolarHBondContact CE1-CE1 3.26Å; H1122-Y1389 AromaticContact CE1-CZ 3.61Å; H1122-Y1389 AromaticContact CG-CZ 3.98Å; H1122-Y1389 AromaticContact ND1-CE1 3.9Å; H1122-Y1389 AromaticContact ND1-CZ 3.99Å; H1122-Y1389 AromaticContact NE2-CD1 3.96Å; H1122-Y1389 AromaticContact NE2-CE1 3.53Å; H1122-Y1389 AromaticContact NE2-CE2 3.62Å; H1122-Y1389 AromaticContact NE2-CZ 3.33Å; H1122-Y1389 VanDerWaalsContact NE2-CZ 3.33Å
1123C43.8Very low40.7Very low79 Ų79106.9 Ų106.953%0.53456%0.559SS.*Hα-helixtrans-61.5-39.1175.1-72.30000112.6C1119 F1120 R1125 C1127C1119-C1123 PolarHBondContact O-N 3.12Å; C1119-C1123 PolarHBondContact O-SG 2.92Å; C1119-C1123 VanDerWaalsContact O-SG 3.34Å; F1120-C1123 PolarHBondContact O-N 3.38Å; C1123-R1125 VanDerWaalsContact C-N 3.28Å; C1123-R1125 PolarHBondContact O-N 3.31Å; C1123-C1127 PolarHBondContact O-N 3.22Å
1124I49.1Very low41.2Very low79 Ų79101 Ų10141%0.40555%0.547SS..Hα-helixtrans-66.1-29.1179.8-72.1171000112.3F1120 D1121 H1122F1120-I1124 HydrophobicContact CD1-CD1 3.79Å; F1120-I1124 HydrophobicContact CE1-CD1 3.5Å; F1120-I1124 HydrophobicContact CZ-CD1 4.09Å; F1120-I1124 WeakPolarHBondContact O-CG1 3.02Å; F1120-I1124 PolarHBondContact O-N 3.48Å; D1121-I1124 PolarHBondContact O-N 2.98Å; H1122-I1124 VanDerWaalsContact C-N 3.32Å; H1122-I1124 PolarHBondContact O-N 2.91Å
1125R48.8Very low41.3Very low193 Ų193108.2 Ų108.273%0.72857%0.566SS**Hα-helixtrans-87.8-23.3-177.9-68.9-179.8-166.7-129.53.1115.1D1121 H1122 C1123D1121-R1125 WeakPolarHBondContact O-CG 3.45Å; D1121-R1125 PolarHBondContact O-N 3.17Å; D1121-R1125 IonicContact OD2-CZ 3.36Å; D1121-R1125 VanDerWaalsContact OD2-CZ 3.31Å; D1121-R1125 IonicContact OD2-NE 3.68Å; D1121-R1125 PolarHBondContact OD2-NE 3.16Å; D1121-R1125 IonicContact OD2-NH2 3.08Å; D1121-R1125 PolarHBondContact OD2-NH2 2.83Å; H1122-R1125 PolarHBondContact O-N 2.92Å; C1123-R1125 VanDerWaalsContact C-N 3.28Å; C1123-R1125 PolarHBondContact O-N 3.31Å
1126L46.4Very low41.4Very low82 Ų82104 Ų10443%0.42956%0.562SS.*Hα-helixtrans-97.3-24.3-178.8-84.964.8000113.3H1122 Y1391H1122-L1126 WeakPolarHBondContact ND1-CD1 3.5Å; H1122-L1126 PolarHBondContact O-N 3.41Å; L1126-Y1391 HydrophobicContact CD2-CD2 4.33Å; L1126-Y1391 HydrophobicContact CD2-CE2 3.6Å; L1126-Y1391 HydrophobicContact CG-CE2 3.8Å; L1126-Y1391 WeakPolarHBondContact CG-OH 3.44Å
1127C36.2Very low41.7Very low35 Ų35108.3 Ų108.324%0.23657%0.566CS.*  trans-114103.3-177.6-168.50000111.6C1123 S1129 A1130C1123-C1127 PolarHBondContact O-N 3.22Å; C1127-S1129 PolarHBondContact O-N 3.29Å; C1127-S1129 PolarHBondContact SG-OG 2.65Å; C1127-S1129 VanDerWaalsContact SG-OG 3.34Å; C1127-A1130 PolarHBondContact O-N 3.14Å
1128G42.6Very low42.2Very low95 Ų95105.3 Ų105.398%0.97956%0.555SS**THydrogen-bonded Turntrans-65.27.6178.700000115.9
1129S40Very low43.1Very low71 Ų71101.3 Ų101.350%0.49755%0.546SS..THydrogen-bonded Turntrans-131.944.8-179.353.60000111.6C1127 L1131 F1132C1127-S1129 PolarHBondContact O-N 3.29Å; C1127-S1129 PolarHBondContact SG-OG 2.65Å; C1127-S1129 VanDerWaalsContact SG-OG 3.34Å; S1129-L1131 PolarHBondContact O-N 3.37Å; S1129-F1132 PolarHBondContact O-N 3.25Å
1130A41.2Very low43.6Very low42 Ų42100.4 Ų100.435%0.34754%0.535SS..Hα-helixtrans-51.1-21.6-17500000116.2C1127 F1132C1127-A1130 PolarHBondContact O-N 3.14Å; A1130-F1132 VanDerWaalsContact C-N 3.29Å; A1130-F1132 PolarHBondContact O-N 3.25Å
1131L42.6Very low44.3Very low158 Ų15895.6 Ų95.683%0.82752%0.522SS*.Hα-helixtrans-67.1-23.5172.7-90.5161.5000114.2S1129S1129-L1131 PolarHBondContact O-N 3.37Å
1132F36.3Very low44.9Very low159 Ų15996.8 Ų96.870%0.69753%0.527SS*.Hα-helixtrans-98.7-39.3-179.6-123.7-96.2000112.9S1129 A1130 C1134 W1135 T1136S1129-F1132 PolarHBondContact O-N 3.25Å; A1130-F1132 VanDerWaalsContact C-N 3.29Å; A1130-F1132 PolarHBondContact O-N 3.25Å; F1132-C1134 VanDerWaalsContact C-N 3.31Å; F1132-C1134 PolarHBondContact O-N 2.98Å; F1132-W1135 WeakPolarHBondContact O-CB 3.3Å; F1132-W1135 PolarHBondContact O-N 2.85Å; F1132-T1136 PolarHBondContact O-N 3.47Å
1133C34.9Very low45.5Very low57 Ų5797.2 Ų97.239%0.38553%0.528SS..Hα-helixtrans-64.8-30.2-179.4-97.50000114.1W1135 T1136 Y1137C1133-W1135 PolarHBondContact O-N 2.96Å; C1133-T1136 WeakPolarHBondContact CA-OG1 3.39Å; C1133-T1136 PolarHBondContact O-N 3.28Å; C1133-T1136 PolarHBondContact O-OG1 3.41Å; C1133-Y1137 PolarHBondContact O-N 2.87Å
1134C41.1Very low46.2Very low78 Ų7895.4 Ų95.453%0.52751%0.513SS..Hα-helixtrans-75.7-4.8173-71.60000114.1F1132F1132-C1134 VanDerWaalsContact C-N 3.31Å; F1132-C1134 PolarHBondContact O-N 2.98Å
1135W37.5Very low46.9Very low217 Ų21798.2 Ų98.282%0.82252%0.524SS*.Hα-helixtrans-95.5-28.1168.3-86.963.5000112.5F1132 C1133F1132-W1135 WeakPolarHBondContact O-CB 3.3Å; F1132-W1135 PolarHBondContact O-N 2.85Å; C1133-W1135 PolarHBondContact O-N 2.96Å
1136T40Very low47.5Very low100 Ų10094.5 Ų94.561%0.61352%0.519SS*.Hα-helixtrans-76.1-33.3178.751.90000113F1132 C1133 N1138F1132-T1136 PolarHBondContact O-N 3.47Å; C1133-T1136 WeakPolarHBondContact CA-OG1 3.39Å; C1133-T1136 PolarHBondContact O-N 3.28Å; C1133-T1136 PolarHBondContact O-OG1 3.41Å; T1136-N1138 VanDerWaalsContact C-N 3.34Å; T1136-N1138 PolarHBondContact O-N 3.47Å; T1136-N1138 VanDerWaalsContact O-N 3.11Å
1137Y45.8Very low48Very low183 Ų18391 Ų9172%0.71850%0.5SS*.SBendtrans-75.293.3156.5-97.7-82.6000108.2C1133 P1139C1133-Y1137 PolarHBondContact O-N 2.87Å; Y1137-P1139 WeakPolarHBondContact O-CD 3Å
1138N52.9Low49.3Very low80 Ų8092.8 Ų92.843%0.42851%0.507SS..  trans-9395.9178.8-171.4-15.8000109.5T1136 I1140 G1141 L1142T1136-N1138 VanDerWaalsContact C-N 3.34Å; T1136-N1138 PolarHBondContact O-N 3.47Å; T1136-N1138 VanDerWaalsContact O-N 3.11Å; N1138-I1140 PolarHBondContact O-N 3.45Å; N1138-I1140 WeakPolarHBondContact OD1-CB 3.36Å; N1138-I1140 PolarHBondContact OD1-N 2.99Å; N1138-G1141 WeakPolarHBondContact O-CA 3.34Å; N1138-G1141 PolarHBondContact O-N 3.27Å; N1138-G1141 PolarHBondContact OD1-N 3.23Å; N1138-L1142 PolarHBondContact O-N 3.44Å
1139P54.1Low50.3Low83 Ų8389.6 Ų89.654%0.53947%0.47SS..Hα-helixtrans-65.6-28.6179.928.9-36.7000111.4Y1137 F1143Y1137-P1139 WeakPolarHBondContact O-CD 3Å; P1139-F1143 WeakPolarHBondContact O-CB 3.36Å; P1139-F1143 PolarHBondContact O-N 3.4Å
1140I52.7Low51.7Low59 Ų5990.8 Ų90.830%0.30348%0.476SS..Hα-helixtrans-65.6-43.3170.7-58.4162.7000109.2N1138 F1143 M1144N1138-I1140 PolarHBondContact O-N 3.45Å; N1138-I1140 WeakPolarHBondContact OD1-CB 3.36Å; N1138-I1140 PolarHBondContact OD1-N 2.99Å; I1140-F1143 PolarHBondContact O-N 3.07Å; I1140-M1144 HydrophobicContact CG2-CE 4Å; I1140-M1144 HydrophobicContact CG2-CG 3.96Å; I1140-M1144 WeakPolarHBondContact O-CB 3.38Å; I1140-M1144 WeakPolarHBondContact O-CG 3.25Å; I1140-M1144 PolarHBondContact O-N 3.48Å
1141G56.2Low53.2Low27 Ų2796.7 Ų96.728%0.27849%0.494SS..Hα-helixtrans-59.3-50.6178.300000113.7N1138 M1144 Q1145N1138-G1141 WeakPolarHBondContact O-CA 3.34Å; N1138-G1141 PolarHBondContact O-N 3.27Å; N1138-G1141 PolarHBondContact OD1-N 3.23Å; G1141-M1144 PolarHBondContact O-N 3.32Å; G1141-Q1145 PolarHBondContact O-N 3.48Å; G1141-Q1145 VanDerWaalsContact O-N 3.16Å
1142L56.2Low54.8Low97 Ų9789.7 Ų89.751%0.50846%0.457SS..Hα-helixtrans-66.8-45.1176.5-81.1162000111.9N1138 M1144 Q1145 D1146N1138-L1142 PolarHBondContact O-N 3.44Å; L1142-M1144 VanDerWaalsContact C-N 3.27Å; L1142-M1144 PolarHBondContact O-N 3.47Å; L1142-Q1145 WeakPolarHBondContact O-CB 3.46Å; L1142-Q1145 PolarHBondContact O-N 2.8Å; L1142-D1146 PolarHBondContact O-N 3.27Å; L1142-D1146 VanDerWaalsContact O-N 3.14Å
1143F57.9Low56.9Low67 Ų6784.3 Ų84.329%0.29444%0.435SS..Hα-helixtrans-63.7-32.5177.2-172.7-129.5000112.5A262 N265 Q266 P1139 I1140 D1146 L1147A262-F1143 HydrophobicContact CB-CD1 4.45Å; A262-F1143 HydrophobicContact CB-CE1 4.45Å; N265-F1143 HydrophobicContact CB-CE1 3.91Å; N265-F1143 HydrophobicContact CB-CZ 3.83Å; Q266-F1143 HydrophobicContact CG-CD1 4.18Å; Q266-F1143 HydrophobicContact CG-CE1 4.16Å; Q266-F1143 VanDerWaalsContact NE2-CD1 3.29Å; P1139-F1143 WeakPolarHBondContact O-CB 3.36Å; P1139-F1143 PolarHBondContact O-N 3.4Å; I1140-F1143 PolarHBondContact O-N 3.07Å; F1143-D1146 PolarHBondContact O-N 2.85Å; F1143-L1147 HydrophobicContact CD1-CD1 3.54Å; F1143-L1147 HydrophobicContact CD2-CD1 4.41Å; F1143-L1147 HydrophobicContact CE1-CD1 3.56Å; F1143-L1147 HydrophobicContact CE1-CG 4.46Å; F1143-L1147 HydrophobicContact CE2-CD1 4.4Å; F1143-L1147 HydrophobicContact CG-CD1 4Å; F1143-L1147 HydrophobicContact CZ-CD1 4.01Å; F1143-L1147 HydrophobicContact CZ-CG 4.46Å; F1143-L1147 VanDerWaalsContact O-CB 3.25Å; F1143-L1147 WeakPolarHBondContact O-CB 3.23Å; F1143-L1147 WeakPolarHBondContact O-CD1 3.44Å; F1143-L1147 WeakPolarHBondContact O-CG 3.23Å; F1143-L1147 PolarHBondContact O-N 3Å
1144M57.8Low59.1Low42 Ų4286.4 Ų86.421%0.20745%0.451CS..Hα-helixtrans-67-33171.2-75.2-74.7-174.300112.2L259 A262 I1140 G1141 L1142 L1148L259-M1144 HydrophobicContact CD1-CE 3.67Å; A262-M1144 HydrophobicContact CB-CE 3.4Å; A262-M1144 VanDerWaalsContact CB-CE 3.4Å; A262-M1144 HydrophobicContact CB-SD 4.01Å; I1140-M1144 HydrophobicContact CG2-CE 4Å; I1140-M1144 HydrophobicContact CG2-CG 3.96Å; I1140-M1144 WeakPolarHBondContact O-CB 3.38Å; I1140-M1144 WeakPolarHBondContact O-CG 3.25Å; I1140-M1144 PolarHBondContact O-N 3.48Å; G1141-M1144 PolarHBondContact O-N 3.32Å; L1142-M1144 VanDerWaalsContact C-N 3.27Å; L1142-M1144 PolarHBondContact O-N 3.47Å; M1144-L1148 HydrophobicContact CB-CD1 4.28Å; M1144-L1148 WeakPolarHBondContact O-CB 3.38Å; M1144-L1148 VanDerWaalsContact O-CD1 3.22Å; M1144-L1148 WeakPolarHBondContact O-CD1 3.31Å; M1144-L1148 PolarHBondContact O-N 2.98Å; M1144-L1148 HydrophobicContact SD-CD1 3.8Å
1145Q63.1Low61.1Low138 Ų13885.8 Ų85.865%0.64544%0.442SS*.Hα-helixtrans-69.2-36.4173.8-72.1178.9-13.200112.1G1141 L1142 L1148 S1149G1141-Q1145 PolarHBondContact O-N 3.48Å; G1141-Q1145 VanDerWaalsContact O-N 3.16Å; L1142-Q1145 WeakPolarHBondContact O-CB 3.46Å; L1142-Q1145 PolarHBondContact O-N 2.8Å; Q1145-L1148 CarbonylContact O-C 3.57Å; Q1145-S1149 WeakPolarHBondContact O-CA 3.14Å; Q1145-S1149 PolarHBondContact O-N 2.92Å
1146D61.1Low63.4Low114 Ų11480.3 Ų80.361%0.6143%0.428SS*.Hα-helixtrans-72.7-40.9172.4-78.8-37.2000112.6L1142 F1143 S1149 N1289L1142-D1146 PolarHBondContact O-N 3.27Å; L1142-D1146 VanDerWaalsContact O-N 3.14Å; F1143-D1146 PolarHBondContact O-N 2.85Å; D1146-S1149 VanDerWaalsContact O-CB 3.23Å; D1146-S1149 WeakPolarHBondContact O-CB 3.14Å; D1146-S1149 PolarHBondContact O-N 2.89Å; D1146-S1149 PolarHBondContact O-OG 3.4Å; D1146-N1289 PolarHBondContact O-ND2 3.38Å
1147L57.5Low65.7Low8 Ų875.9 Ų75.94%0.04240%0.401CS..Hα-helixtrans-62.1-50.7175.3-87.5159.7000112A262 F1143 S1149 N1289A262-L1147 HydrophobicContact CB-CD1 3.49Å; A262-L1147 VanDerWaalsContact CB-CD1 3.49Å; F1143-L1147 HydrophobicContact CD1-CD1 3.54Å; F1143-L1147 HydrophobicContact CD2-CD1 4.41Å; F1143-L1147 HydrophobicContact CE1-CD1 3.56Å; F1143-L1147 HydrophobicContact CE1-CG 4.46Å; F1143-L1147 HydrophobicContact CE2-CD1 4.4Å; F1143-L1147 HydrophobicContact CG-CD1 4Å; F1143-L1147 HydrophobicContact CZ-CD1 4.01Å; F1143-L1147 HydrophobicContact CZ-CG 4.46Å; F1143-L1147 VanDerWaalsContact O-CB 3.25Å; F1143-L1147 WeakPolarHBondContact O-CB 3.23Å; F1143-L1147 WeakPolarHBondContact O-CD1 3.44Å; F1143-L1147 WeakPolarHBondContact O-CG 3.23Å; F1143-L1147 PolarHBondContact O-N 3Å; L1147-S1149 PolarHBondContact O-N 3.15Å; L1147-N1289 HydrophobicContact CD2-CB 4.5Å; L1147-N1289 WeakPolarHBondContact CD2-OD1 3.27Å
1148L62.9Low67.6Low73 Ų7367.3 Ų67.338%0.38237%0.367SS..THydrogen-bonded Turntrans-88.632.5175.7-6896.8000112.4M1144 Q1145 P1150 Y1293M1144-L1148 HydrophobicContact CB-CD1 4.28Å; M1144-L1148 WeakPolarHBondContact O-CB 3.38Å; M1144-L1148 VanDerWaalsContact O-CD1 3.22Å; M1144-L1148 WeakPolarHBondContact O-CD1 3.31Å; M1144-L1148 PolarHBondContact O-N 2.98Å; M1144-L1148 HydrophobicContact SD-CD1 3.8Å; Q1145-L1148 CarbonylContact O-C 3.57Å; L1148-P1150 VanDerWaalsContact O-CD 3.23Å; L1148-P1150 WeakPolarHBondContact O-CD 3.27Å; L1148-P1150 VanDerWaalsContact O-N 3.13Å; L1148-Y1293 WeakPolarHBondContact CA-OH 3.25Å; L1148-Y1293 PolarHBondContact O-OH 3.22Å; L1148-Y1293 VanDerWaalsContact O-OH 3.05Å
1149S63.6Low69.4Low28 Ų2867.2 Ų67.220%0.19637%0.366CS..  trans-64.4112.5177.550.50000110.7Q1145 D1146 L1147 K1151 L1152Q1145-S1149 WeakPolarHBondContact O-CA 3.14Å; Q1145-S1149 PolarHBondContact O-N 2.92Å; D1146-S1149 VanDerWaalsContact O-CB 3.23Å; D1146-S1149 WeakPolarHBondContact O-CB 3.14Å; D1146-S1149 PolarHBondContact O-N 2.89Å; D1146-S1149 PolarHBondContact O-OG 3.4Å; L1147-S1149 PolarHBondContact O-N 3.15Å; S1149-K1151 PolarHBondContact O-N 2.88Å; S1149-L1152 PolarHBondContact O-N 2.98Å; S1149-L1152 VanDerWaalsContact O-N 3.11Å
1150P69.7Low71.1Confident96 Ų9666.7 Ų66.762%0.62336%0.356SS*.THydrogen-bonded Turntrans-67.1-12.6-169.126.7-35.5000113.3L1148 L1152 L1153 S1154L1148-P1150 VanDerWaalsContact O-CD 3.23Å; L1148-P1150 WeakPolarHBondContact O-CD 3.27Å; L1148-P1150 VanDerWaalsContact O-N 3.13Å; P1150-L1152 PolarHBondContact O-N 3.14Å; P1150-L1153 PolarHBondContact O-N 2.83Å; P1150-S1154 PolarHBondContact O-N 3.44Å; P1150-S1154 VanDerWaalsContact O-N 3.12Å
1151K73.1Confident72.9Confident167 Ų16764 Ų6473%0.72634%0.342SS*.THydrogen-bonded Turntrans-49.1-28.1168.8-65.5177.2179.8172.50113.1S1149S1149-K1151 PolarHBondContact O-N 2.88Å
1152L75.5Confident74.5Confident11 Ų1163.2 Ų63.26%0.05833%0.331CS..THydrogen-bonded Turntrans-76.1-44.1176.5-157.280.8000112.6S1149 P1150 S1154 N1155 F1158 I1282 R1286 A1290 Y1293S1149-L1152 PolarHBondContact O-N 2.98Å; S1149-L1152 VanDerWaalsContact O-N 3.11Å; P1150-L1152 PolarHBondContact O-N 3.14Å; L1152-S1154 PolarHBondContact O-N 3.11Å; L1152-N1155 PolarHBondContact O-N 3.01Å; L1152-N1155 VanDerWaalsContact O-N 3.15Å; L1152-F1158 HydrophobicContact CD2-CD1 4.19Å; L1152-F1158 HydrophobicContact CD2-CE1 3.69Å; L1152-F1158 HydrophobicContact CD2-CZ 4Å; L1152-F1158 HydrophobicContact CG-CD1 4.08Å; L1152-F1158 HydrophobicContact CG-CE1 4.07Å; L1152-F1158 WeakPolarHBondContact O-CD1 3.21Å; L1152-I1282 HydrophobicContact CD1-CG2 4Å; L1152-R1286 HydrophobicContact CD1-CB 4.29Å; L1152-A1290 HydrophobicContact CD2-CB 3.71Å; L1152-Y1293 HydrophobicContact CB-CE2 4.45Å; L1152-Y1293 HydrophobicContact CD2-CD2 3.9Å; L1152-Y1293 HydrophobicContact CD2-CE2 4.37Å
1153L81Confident76.2Confident45 Ų4563.6 Ų63.624%0.23633%0.329CS..THydrogen-bonded Turntrans-66.2-21.1176.2-66.6171.7000112.4P1150 N1155 F1158 L1159 L1162 Y1293 F1297P1150-L1153 PolarHBondContact O-N 2.83Å; L1153-N1155 PolarHBondContact O-N 2.9Å; L1153-F1158 HydrophobicContact CD2-CD1 4.43Å; L1153-F1158 HydrophobicContact CD2-CE1 4.05Å; L1153-L1159 VanDerWaalsContact O-CD1 3.29Å; L1153-L1159 WeakPolarHBondContact O-CD1 3.34Å; L1153-L1159 VanDerWaalsContact O-CG 3.25Å; L1153-L1159 WeakPolarHBondContact O-CG 3.44Å; L1153-L1162 HydrophobicContact CD2-CD1 4.28Å; L1153-Y1293 HydrophobicContact CD1-CD1 4.37Å; L1153-Y1293 HydrophobicContact CD1-CE1 3.72Å; L1153-Y1293 HydrophobicContact CD2-CD1 4.26Å; L1153-Y1293 HydrophobicContact CD2-CE1 4.38Å; L1153-Y1293 HydrophobicContact CG-CD1 4.48Å; L1153-Y1293 HydrophobicContact CG-CE1 4.13Å; L1153-F1297 HydrophobicContact CD2-CE2 4.31Å
1154S81.5Confident77.9Confident102 Ų10260.5 Ų60.571%0.71332%0.316SS*.THydrogen-bonded Turntrans-68.8-12172.5-171.10000114.5P1150 L1152 I1156P1150-S1154 PolarHBondContact O-N 3.44Å; P1150-S1154 VanDerWaalsContact O-N 3.12Å; L1152-S1154 PolarHBondContact O-N 3.11Å; S1154-I1156 PolarHBondContact O-N 2.91Å
1155N82.5Confident79.5Confident65 Ų6558.6 Ų58.635%0.34831%0.306SS..  trans-83.6111.6177.8-176.2-17.4000110.6L1152 L1153 T1157 F1158 L1159L1152-N1155 PolarHBondContact O-N 3.01Å; L1152-N1155 VanDerWaalsContact O-N 3.15Å; L1153-N1155 PolarHBondContact O-N 2.9Å; N1155-T1157 PolarHBondContact O-N 3.12Å; N1155-T1157 VanDerWaalsContact O-N 3.16Å; N1155-T1157 WeakPolarHBondContact OD1-CB 3.45Å; N1155-T1157 PolarHBondContact OD1-N 3.43Å; N1155-F1158 HydrophobicContact CB-CB 4.12Å; N1155-F1158 WeakPolarHBondContact O-CA 3.29Å; N1155-F1158 WeakPolarHBondContact O-CB 3.4Å; N1155-F1158 PolarHBondContact O-N 2.79Å; N1155-L1159 PolarHBondContact O-N 2.93Å
1156I86.9Confident81Confident101 Ų10153.5 Ų53.552%0.51828%0.283SS..Hα-helixtrans-57.2-31.7-179.3-164.2166.1000113.6S1154 F1158 L1159 F1160S1154-I1156 PolarHBondContact O-N 2.91Å; I1156-F1158 VanDerWaalsContact C-N 3.34Å; I1156-L1159 PolarHBondContact O-N 3.17Å; I1156-F1160 HydrophobicContact CD1-CE2 4.44Å; I1156-F1160 HydrophobicContact CG1-CD2 4.03Å; I1156-F1160 HydrophobicContact CG1-CE2 4.1Å; I1156-F1160 WeakPolarHBondContact O-CD2 3.09Å; I1156-F1160 PolarHBondContact O-N 3.46Å
1157T86.7Confident82.6Confident8 Ų849.9 Ų49.95%0.04926%0.263CS..Hα-helixtrans-68.6-36.7175.8-50.40000111N1155 F1161 L1281 L1358 L1361N1155-T1157 PolarHBondContact O-N 3.12Å; N1155-T1157 VanDerWaalsContact O-N 3.16Å; N1155-T1157 WeakPolarHBondContact OD1-CB 3.45Å; N1155-T1157 PolarHBondContact OD1-N 3.43Å; T1157-F1161 WeakPolarHBondContact O-CB 3.42Å; T1157-F1161 PolarHBondContact O-N 2.7Å; T1157-L1281 HydrophobicContact CG2-CD2 4.19Å; T1157-L1358 HydrophobicContact CG2-CD2 4Å; T1157-L1358 VanDerWaalsContact O-CD2 3.3Å; T1157-L1358 WeakPolarHBondContact O-CD2 3.31Å; T1157-L1361 HydrophobicContact CG2-CB 4.43Å
1158F87.7Confident84.4Confident3 Ų349.5 Ų49.51%0.01326%0.261CS..Hα-helixtrans-70-42174.1-176.7-126.5000111.4L1152 L1153 N1155 I1156 F1160 F1161 L1162 I1282 A1290 L1294L1152-F1158 HydrophobicContact CD2-CD1 4.19Å; L1152-F1158 HydrophobicContact CD2-CE1 3.69Å; L1152-F1158 HydrophobicContact CD2-CZ 4Å; L1152-F1158 HydrophobicContact CG-CD1 4.08Å; L1152-F1158 HydrophobicContact CG-CE1 4.07Å; L1152-F1158 WeakPolarHBondContact O-CD1 3.21Å; L1153-F1158 HydrophobicContact CD2-CD1 4.43Å; L1153-F1158 HydrophobicContact CD2-CE1 4.05Å; N1155-F1158 HydrophobicContact CB-CB 4.12Å; N1155-F1158 WeakPolarHBondContact O-CA 3.29Å; N1155-F1158 WeakPolarHBondContact O-CB 3.4Å; N1155-F1158 PolarHBondContact O-N 2.79Å; I1156-F1158 VanDerWaalsContact C-N 3.34Å; F1158-F1160 PolarHBondContact O-N 3.2Å; F1158-F1161 PolarHBondContact O-N 3.32Å; F1158-L1162 HydrophobicContact CD1-CD1 4.5Å; F1158-L1162 HydrophobicContact CE1-CD1 3.8Å; F1158-L1162 HydrophobicContact CE2-CD1 4.35Å; F1158-L1162 HydrophobicContact CZ-CD1 3.72Å; F1158-L1162 WeakPolarHBondContact O-CB 3.37Å; F1158-L1162 PolarHBondContact O-N 3.19Å; F1158-I1282 HydrophobicContact CD2-CD1 3.43Å; F1158-I1282 VanDerWaalsContact CD2-CD1 3.43Å; F1158-I1282 HydrophobicContact CE2-CD1 3.78Å; F1158-I1282 HydrophobicContact CG-CD1 4.08Å; F1158-A1290 HydrophobicContact CE2-CB 4.24Å; F1158-A1290 HydrophobicContact CZ-CB 4.32Å; F1158-L1294 HydrophobicContact CE2-CD1 4.47Å
1159L89.6Confident85.9Confident78 Ų7846.3 Ų46.341%0.40824%0.244SC..Hα-helixtrans-58.5-45.5175.3-76.3172.7000112.8L1153 N1155 I1156 F1161 L1162 F1163L1153-L1159 VanDerWaalsContact O-CD1 3.29Å; L1153-L1159 WeakPolarHBondContact O-CD1 3.34Å; L1153-L1159 VanDerWaalsContact O-CG 3.25Å; L1153-L1159 WeakPolarHBondContact O-CG 3.44Å; N1155-L1159 PolarHBondContact O-N 2.93Å; I1156-L1159 PolarHBondContact O-N 3.17Å; L1159-F1161 PolarHBondContact O-N 3.42Å; L1159-L1162 PolarHBondContact O-N 3.32Å; L1159-F1163 WeakPolarHBondContact O-CB 3.5Å; L1159-F1163 PolarHBondContact O-N 3.05Å
1160F89.7Confident87.4Confident71 Ų7146.3 Ų46.331%0.31124%0.242SC..Hα-helixtrans-61.5-42.8175.5-94.4-96.5000112.1I1156 F1158 S1164 L1354 P1357 L1358 L1361I1156-F1160 HydrophobicContact CD1-CE2 4.44Å; I1156-F1160 HydrophobicContact CG1-CD2 4.03Å; I1156-F1160 HydrophobicContact CG1-CE2 4.1Å; I1156-F1160 WeakPolarHBondContact O-CD2 3.09Å; I1156-F1160 PolarHBondContact O-N 3.46Å; F1158-F1160 PolarHBondContact O-N 3.2Å; F1160-S1164 VanDerWaalsContact O-CB 3.27Å; F1160-S1164 WeakPolarHBondContact O-CB 3.44Å; F1160-S1164 PolarHBondContact O-N 3.16Å; F1160-L1354 HydrophobicContact CD1-CD2 4.44Å; F1160-L1354 HydrophobicContact CE1-CD2 4.37Å; F1160-P1357 HydrophobicContact CD1-CG 4.04Å; F1160-P1357 HydrophobicContact CE1-CG 4.12Å; F1160-L1358 HydrophobicContact CB-CD2 3.68Å; F1160-L1358 HydrophobicContact CB-CG 4.49Å; F1160-L1361 HydrophobicContact CB-CD1 4.09Å; F1160-L1361 HydrophobicContact CD1-CD1 4.07Å; F1160-L1361 HydrophobicContact CD2-CD1 3.69Å; F1160-L1361 HydrophobicContact CE1-CD1 4.44Å; F1160-L1361 HydrophobicContact CE2-CD1 4.1Å; F1160-L1361 HydrophobicContact CG-CD1 3.67Å; F1160-L1361 HydrophobicContact CZ-CD1 4.45Å
1161F90Very high88.5Confident4 Ų441.8 Ų41.82%0.01821%0.212CC..Hα-helixtrans-67.7-36.6178.9179.9-130.6000112.2T1157 F1158 L1159 S1165 L1277 V1278 L1281 L1294 L1358T1157-F1161 WeakPolarHBondContact O-CB 3.42Å; T1157-F1161 PolarHBondContact O-N 2.7Å; F1158-F1161 PolarHBondContact O-N 3.32Å; L1159-F1161 PolarHBondContact O-N 3.42Å; F1161-S1165 WeakPolarHBondContact O-CB 3.33Å; F1161-S1165 PolarHBondContact O-N 3.3Å; F1161-S1165 PolarHBondContact O-OG 3.45Å; F1161-L1277 HydrophobicContact CE1-CB 4.32Å; F1161-L1277 HydrophobicContact CE2-CB 4.07Å; F1161-L1277 HydrophobicContact CE2-CD1 3.95Å; F1161-L1277 HydrophobicContact CZ-CB 3.62Å; F1161-L1277 HydrophobicContact CZ-CD1 4.24Å; F1161-V1278 HydrophobicContact CE1-CG2 3.8Å; F1161-L1281 HydrophobicContact CB-CD1 4.18Å; F1161-L1281 HydrophobicContact CD1-CD1 3.89Å; F1161-L1281 HydrophobicContact CD2-CD1 4.17Å; F1161-L1281 HydrophobicContact CE1-CD1 4.29Å; F1161-L1281 HydrophobicContact CG-CD1 3.83Å; F1161-L1294 HydrophobicContact CD1-CD1 3.6Å; F1161-L1294 HydrophobicContact CE1-CD1 3.3Å; F1161-L1294 HydrophobicContact CG-CD1 4.44Å; F1161-L1294 HydrophobicContact CZ-CD1 3.91Å; F1161-L1358 HydrophobicContact CB-CD1 3.94Å; F1161-L1358 HydrophobicContact CB-CD2 3.94Å; F1161-L1358 HydrophobicContact CD2-CD1 3.88Å; F1161-L1358 HydrophobicContact CG-CD1 4.34Å
1162L90.9Very high89.5Confident10 Ų1034.1 Ų34.15%0.05218%0.179CC..Hα-helixtrans-70.8-40.6177.5-175.5140.3000111.9L1153 F1158 L1159 S1165 M1166 F1297L1153-L1162 HydrophobicContact CD2-CD1 4.28Å; F1158-L1162 HydrophobicContact CD1-CD1 4.5Å; F1158-L1162 HydrophobicContact CE1-CD1 3.8Å; F1158-L1162 HydrophobicContact CE2-CD1 4.35Å; F1158-L1162 HydrophobicContact CZ-CD1 3.72Å; F1158-L1162 WeakPolarHBondContact O-CB 3.37Å; F1158-L1162 PolarHBondContact O-N 3.19Å; L1159-L1162 PolarHBondContact O-N 3.32Å; L1162-S1165 VanDerWaalsContact O-CB 3.31Å; L1162-S1165 WeakPolarHBondContact O-CB 3.33Å; L1162-S1165 PolarHBondContact O-N 3.48Å; L1162-M1166 WeakPolarHBondContact O-CB 3.42Å; L1162-M1166 PolarHBondContact O-N 2.92Å; L1162-F1297 HydrophobicContact CD1-CD2 3.74Å; L1162-F1297 HydrophobicContact CD1-CE2 4.2Å; L1162-F1297 HydrophobicContact CD1-CG 4.46Å; L1162-F1297 HydrophobicContact CD2-CB 4.06Å; L1162-F1297 HydrophobicContact CD2-CD1 4.29Å; L1162-F1297 HydrophobicContact CD2-CD2 3.81Å; L1162-F1297 HydrophobicContact CD2-CE2 4.29Å; L1162-F1297 HydrophobicContact CD2-CG 3.8Å; L1162-F1297 HydrophobicContact CG-CB 4.33Å; L1162-F1297 HydrophobicContact CG-CD2 4.13Å; L1162-F1297 HydrophobicContact CG-CG 4.36Å
1163F91.9Very high90.4Very high104 Ų10433.6 Ų33.646%0.45618%0.176SC..Hα-helixtrans-73-39.8176.3-151.5-74.7000112.2L1159 S1165 M1166 M1167 L1354L1159-F1163 WeakPolarHBondContact O-CB 3.5Å; L1159-F1163 PolarHBondContact O-N 3.05Å; F1163-S1165 VanDerWaalsContact C-N 3.32Å; F1163-S1165 PolarHBondContact O-N 3.11Å; F1163-M1166 HydrophobicContact CD1-CE 4.35Å; F1163-M1166 HydrophobicContact CD2-CE 3.99Å; F1163-M1166 HydrophobicContact CE1-CE 4.16Å; F1163-M1166 HydrophobicContact CE2-CE 3.76Å; F1163-M1166 HydrophobicContact CG-CE 4.3Å; F1163-M1166 HydrophobicContact CZ-CE 3.86Å; F1163-M1166 PolarHBondContact O-N 2.87Å; F1163-M1167 HydrophobicContact CD1-CE 4.49Å; F1163-M1167 HydrophobicContact CD1-CG 4.04Å; F1163-M1167 HydrophobicContact CE1-CE 3.82Å; F1163-M1167 HydrophobicContact CE1-CG 4.08Å; F1163-M1167 HydrophobicContact CE1-SD 4.45Å; F1163-M1167 HydrophobicContact CZ-CE 4.35Å; F1163-M1167 WeakPolarHBondContact O-CG 3.21Å; F1163-M1167 PolarHBondContact O-N 2.95Å; F1163-L1354 HydrophobicContact CD1-CD1 3.66Å; F1163-L1354 HydrophobicContact CE1-CD1 4.37Å
1164S93.1Very high91.1Very high3 Ų331.4 Ų31.42%0.02117%0.165CC..Hα-helixtrans-56.5-47.6168.2172.60000110.8F1160 M1166 M1167 A1168 S1351F1160-S1164 VanDerWaalsContact O-CB 3.27Å; F1160-S1164 WeakPolarHBondContact O-CB 3.44Å; F1160-S1164 PolarHBondContact O-N 3.16Å; S1164-M1166 PolarHBondContact O-N 3.4Å; S1164-M1167 PolarHBondContact O-N 3.35Å; S1164-A1168 PolarHBondContact O-N 2.81Å; S1164-S1351 WeakPolarHBondContact O-CB 3.43Å; S1164-S1351 PolarHBondContact O-OG 3.29Å; S1164-S1351 PolarHBondContact OG-O 3.19Å; S1164-S1351 PolarHBondContact OG-OG 2.95Å
1165S92Very high91.6Very high1 Ų126.6 Ų26.61%0.00713%0.131CC..Hα-helixtrans-58.1-41174.6-88.30000113.8F1161 L1162 F1163 A1168 M1169 Q1298F1161-S1165 WeakPolarHBondContact O-CB 3.33Å; F1161-S1165 PolarHBondContact O-N 3.3Å; F1161-S1165 PolarHBondContact O-OG 3.45Å; L1162-S1165 VanDerWaalsContact O-CB 3.31Å; L1162-S1165 WeakPolarHBondContact O-CB 3.33Å; L1162-S1165 PolarHBondContact O-N 3.48Å; F1163-S1165 VanDerWaalsContact C-N 3.32Å; F1163-S1165 PolarHBondContact O-N 3.11Å; S1165-A1168 PolarHBondContact O-N 2.82Å; S1165-M1169 PolarHBondContact O-N 3.48Å; S1165-Q1298 PolarHBondContact OG-NE2 2.87Å
1166M94.5Very high92.1Very high32 Ų3223.8 Ų23.816%0.15812%0.116CC..Hα-helixtrans-66.2-46.5178.7-168.9177.173.500111L1162 F1163 S1164 A1168 M1169 L1170 F1297 A1301L1162-M1166 WeakPolarHBondContact O-CB 3.42Å; L1162-M1166 PolarHBondContact O-N 2.92Å; F1163-M1166 HydrophobicContact CD1-CE 4.35Å; F1163-M1166 HydrophobicContact CD2-CE 3.99Å; F1163-M1166 HydrophobicContact CE1-CE 4.16Å; F1163-M1166 HydrophobicContact CE2-CE 3.76Å; F1163-M1166 HydrophobicContact CG-CE 4.3Å; F1163-M1166 HydrophobicContact CZ-CE 3.86Å; F1163-M1166 PolarHBondContact O-N 2.87Å; S1164-M1166 PolarHBondContact O-N 3.4Å; M1166-A1168 VanDerWaalsContact C-N 3.33Å; M1166-A1168 PolarHBondContact O-N 2.94Å; M1166-M1169 PolarHBondContact O-N 2.8Å; M1166-L1170 PolarHBondContact O-N 3.03Å; M1166-L1170 VanDerWaalsContact O-N 3.09Å; M1166-F1297 HydrophobicContact SD-CB 4.49Å; M1166-A1301 HydrophobicContact CG-CB 3.69Å; M1166-A1301 WeakPolarHBondContact O-CB 3.44Å
1167M95Very high92.5Very high37 Ų3719.1 Ų19.118%0.1829%0.092CC..Hα-helixtrans-63.2-35.9175.9-70-67.7121.200112.7F1163 S1164 L1170 G1171 A1347 T1350 L1354F1163-M1167 HydrophobicContact CD1-CE 4.49Å; F1163-M1167 HydrophobicContact CD1-CG 4.04Å; F1163-M1167 HydrophobicContact CE1-CE 3.82Å; F1163-M1167 HydrophobicContact CE1-CG 4.08Å; F1163-M1167 HydrophobicContact CE1-SD 4.45Å; F1163-M1167 HydrophobicContact CZ-CE 4.35Å; F1163-M1167 WeakPolarHBondContact O-CG 3.21Å; F1163-M1167 PolarHBondContact O-N 2.95Å; S1164-M1167 PolarHBondContact O-N 3.35Å; M1167-L1170 HydrophobicContact CE-CD2 4.36Å; M1167-L1170 HydrophobicContact SD-CD2 4.38Å; M1167-G1171 PolarHBondContact O-N 3.21Å; M1167-A1347 WeakPolarHBondContact O-CB 3.3Å; M1167-T1350 HydrophobicContact CG-CG2 4.26Å; M1167-T1350 HydrophobicContact SD-CG2 4.47Å; M1167-L1354 HydrophobicContact CG-CD1 4.16Å
1168A94.7Very high92.8Very high0 Ų018.8 Ų18.80%09%0.09CC..Hα-helixtrans-60.7-49.1174.800000111.8S1164 S1165 M1166 L1170 G1171 L1172 L1236 F1270 S1351S1164-A1168 PolarHBondContact O-N 2.81Å; S1165-A1168 PolarHBondContact O-N 2.82Å; M1166-A1168 VanDerWaalsContact C-N 3.33Å; M1166-A1168 PolarHBondContact O-N 2.94Å; A1168-L1170 PolarHBondContact O-N 2.89Å; A1168-G1171 PolarHBondContact O-N 2.77Å; A1168-L1172 VanDerWaalsContact O-CB 3.26Å; A1168-L1172 WeakPolarHBondContact O-CB 3.41Å; A1168-L1172 PolarHBondContact O-N 3.42Å; A1168-L1236 HydrophobicContact CB-CD2 4.11Å; A1168-F1270 HydrophobicContact CB-CE1 3.89Å; A1168-F1270 HydrophobicContact CB-CE2 3.82Å; A1168-F1270 HydrophobicContact CB-CZ 3.36Å; A1168-S1351 WeakPolarHBondContact CB-OG 3.35Å
1169M94Very high93Very high7 Ų718.6 Ų18.63%0.0349%0.089CC..Hα-helixtrans-74.2-25.1-175.2-64.2-61.8-67.200113.3L254 S1165 M1166 G1171 F1270 Q1298 A1301L254-M1169 HydrophobicContact CD1-CE 3.62Å; S1165-M1169 PolarHBondContact O-N 3.48Å; M1166-M1169 PolarHBondContact O-N 2.8Å; M1169-G1171 VanDerWaalsContact C-N 3.25Å; M1169-G1171 PolarHBondContact O-N 2.78Å; M1169-F1270 HydrophobicContact SD-CE1 3.99Å; M1169-F1270 HydrophobicContact SD-CZ 4.48Å; M1169-Q1298 HydrophobicContact CB-CB 4.21Å; M1169-Q1298 HydrophobicContact CB-CG 4.22Å; M1169-Q1298 HydrophobicContact CG-CB 3.78Å; M1169-Q1298 HydrophobicContact CG-CG 3.52Å; M1169-A1301 HydrophobicContact CB-CB 4.46Å
1170L94.8Very high93Very high28 Ų2815 Ų1515%0.1477%0.07CC..Hα-helixtrans-58.9-38.4168.5-170.471.1000111.7M1166 M1167 A1168 A1301 V1304 F1343 A1347M1166-L1170 PolarHBondContact O-N 3.03Å; M1166-L1170 VanDerWaalsContact O-N 3.09Å; M1167-L1170 HydrophobicContact CE-CD2 4.36Å; M1167-L1170 HydrophobicContact SD-CD2 4.38Å; A1168-L1170 PolarHBondContact O-N 2.89Å; L1170-A1301 HydrophobicContact CB-CB 4.16Å; L1170-V1304 HydrophobicContact CD1-CB 4.44Å; L1170-V1304 HydrophobicContact CD1-CG1 4.34Å; L1170-F1343 HydrophobicContact CD1-CZ 4.24Å; L1170-F1343 HydrophobicContact CD2-CE2 4.28Å; L1170-F1343 HydrophobicContact CD2-CZ 3.9Å; L1170-F1343 HydrophobicContact CG-CE1 4.42Å; L1170-F1343 HydrophobicContact CG-CZ 3.83Å; L1170-A1347 HydrophobicContact CB-CB 4.43Å; L1170-A1347 HydrophobicContact CD2-CB 4.34Å
1171G93.3Very high93Very high0 Ų011.8 Ų11.80%06%0.056CC..Hα-helixtrans-88.1-44.7179.500000114.5M1167 A1168 M1169 V1173 V1174 P1175 S1344M1167-G1171 PolarHBondContact O-N 3.21Å; A1168-G1171 PolarHBondContact O-N 2.77Å; M1169-G1171 VanDerWaalsContact C-N 3.25Å; M1169-G1171 PolarHBondContact O-N 2.78Å; G1171-V1173 VanDerWaalsContact C-N 3.32Å; G1171-V1173 PolarHBondContact O-N 3.29Å; G1171-V1174 WeakPolarHBondContact O-CB 3.36Å; G1171-V1174 PolarHBondContact O-N 3.4Å; G1171-V1174 VanDerWaalsContact O-N 3.16Å; G1171-P1175 VanDerWaalsContact O-CD 3.31Å; G1171-P1175 WeakPolarHBondContact O-CD 3.41Å; G1171-S1344 PolarHBondContact O-OG 2.94Å
1172L94.3Very high92.9Very high6 Ų611.6 Ų11.63%0.0316%0.055CC..Hα-helixtrans-64.7-28.5-163.2-169.6146.5000114.7A1168 P1175 F1176 F1270 L1348A1168-L1172 VanDerWaalsContact O-CB 3.26Å; A1168-L1172 WeakPolarHBondContact O-CB 3.41Å; A1168-L1172 PolarHBondContact O-N 3.42Å; L1172-P1175 WeakPolarHBondContact O-CD 3.28Å; L1172-F1176 HydrophobicContact CD2-CE2 4.18Å; L1172-F1176 WeakPolarHBondContact O-CD2 3.35Å; L1172-F1270 HydrophobicContact CD1-CD1 3.67Å; L1172-F1270 HydrophobicContact CD1-CE1 3.92Å; L1172-L1348 HydrophobicContact CB-CD2 4.28Å
1173V94.2Very high92.8Very high0 Ų011.2 Ų11.20%05%0.053CC..THydrogen-bonded Turntrans-76.6-29.8179.7-174.50000112V250 G1171 F1176 L1177 A1302 P1306V250-V1173 HydrophobicContact CB-CG1 4.46Å; V250-V1173 HydrophobicContact CG1-CG1 4.26Å; V250-V1173 HydrophobicContact CG1-CG2 3.89Å; V250-V1173 HydrophobicContact CG2-CG1 4.22Å; G1171-V1173 VanDerWaalsContact C-N 3.32Å; G1171-V1173 PolarHBondContact O-N 3.29Å; V1173-F1176 PolarHBondContact O-N 2.97Å; V1173-L1177 HydrophobicContact CG1-CD1 4.08Å; V1173-A1302 HydrophobicContact CG2-CB 4.01Å; V1173-P1306 HydrophobicContact CB-CG 4.21Å; V1173-P1306 HydrophobicContact CG1-CG 3.75Å
1174V94.8Very high92.4Very high0 Ų06.3 Ų6.30%03%0.032CC..Hα-helixtrans-60.6-44.2-170.5175.90000113.6G1171 F1176 L1177 M1178 A1309 A1340 F1343G1171-V1174 WeakPolarHBondContact O-CB 3.36Å; G1171-V1174 PolarHBondContact O-N 3.4Å; G1171-V1174 VanDerWaalsContact O-N 3.16Å; V1174-F1176 PolarHBondContact O-N 3.42Å; V1174-L1177 PolarHBondContact O-N 3.01Å; V1174-M1178 HydrophobicContact CG1-CB 4.47Å; V1174-M1178 HydrophobicContact CG1-CG 3.94Å; V1174-M1178 WeakPolarHBondContact O-CB 3.36Å; V1174-M1178 PolarHBondContact O-N 3.47Å; V1174-A1309 HydrophobicContact CB-CB 4.3Å; V1174-A1309 HydrophobicContact CG1-CB 3.47Å; V1174-A1309 VanDerWaalsContact CG1-CB 3.47Å; V1174-A1309 HydrophobicContact CG2-CB 3.78Å; V1174-A1340 HydrophobicContact CG1-CB 4.14Å; V1174-F1343 HydrophobicContact CG2-CE1 4.5Å
1175P93.7Very high91.7Very high0 Ų06.4 Ų6.40%03%0.032CC..Hα-helixtrans-59.8-42.3179.6-26.636.8000113.3G1171 L1172 L1177 M1178 L1179 V1243 F1263 F1341 S1344G1171-P1175 VanDerWaalsContact O-CD 3.31Å; G1171-P1175 WeakPolarHBondContact O-CD 3.41Å; L1172-P1175 WeakPolarHBondContact O-CD 3.28Å; P1175-L1177 VanDerWaalsContact C-N 3.29Å; P1175-L1177 PolarHBondContact O-N 2.87Å; P1175-M1178 PolarHBondContact O-N 2.83Å; P1175-L1179 HydrophobicContact CB-CD1 4.19Å; P1175-L1179 WeakPolarHBondContact O-CB 3.39Å; P1175-L1179 WeakPolarHBondContact O-CD1 3.28Å; P1175-L1179 PolarHBondContact O-N 3.18Å; P1175-V1243 HydrophobicContact CG-CG1 4.1Å; P1175-V1243 HydrophobicContact CG-CG2 3.83Å; P1175-F1263 HydrophobicContact CB-CE1 3.95Å; P1175-F1263 HydrophobicContact CB-CZ 3.91Å; P1175-F1263 HydrophobicContact CG-CE1 4.38Å; P1175-F1263 HydrophobicContact CG-CE2 4.14Å; P1175-F1263 HydrophobicContact CG-CZ 3.83Å; P1175-F1341 HydrophobicContact CB-CE1 4.04Å; P1175-S1344 WeakPolarHBondContact CD-OG 3.44Å
1176F92.8Very high91Very high6 Ų68.3 Ų8.33%0.0264%0.042CC..Hα-helixtrans-58.8-40.9179.8-68.5-82.7000112.3F175 L1172 V1173 V1174 I1200 F1263F175-F1176 HydrophobicContact CB-CB 4.2Å; F175-F1176 HydrophobicContact CB-CD1 3.73Å; F175-F1176 HydrophobicContact CB-CE1 4.26Å; F175-F1176 HydrophobicContact CB-CG 4Å; F175-F1176 HydrophobicContact CD1-CB 4.17Å; F175-F1176 HydrophobicContact CD1-CD1 4.28Å; F175-F1176 AromaticContact CD1-CD2 3.83Å; F175-F1176 HydrophobicContact CD1-CD2 3.83Å; F175-F1176 HydrophobicContact CD1-CE2 4.26Å; F175-F1176 AromaticContact CD1-CG 3.84Å; F175-F1176 HydrophobicContact CD1-CG 3.84Å; F175-F1176 HydrophobicContact CE1-CD2 4.27Å; F175-F1176 HydrophobicContact CE1-CE2 4.43Å; F175-F1176 HydrophobicContact CG-CD1 4.08Å; F175-F1176 HydrophobicContact CG-CD2 4.4Å; F175-F1176 HydrophobicContact CG-CE1 4.31Å; F175-F1176 HydrophobicContact CG-CG 4.11Å; L1172-F1176 HydrophobicContact CD2-CE2 4.18Å; L1172-F1176 WeakPolarHBondContact O-CD2 3.35Å; V1173-F1176 PolarHBondContact O-N 2.97Å; V1174-F1176 PolarHBondContact O-N 3.42Å; F1176-I1200 HydrophobicContact CD1-CD1 4.48Å; F1176-I1200 HydrophobicContact CD1-CG2 4.38Å; F1176-I1200 HydrophobicContact CE1-CB 4.3Å; F1176-I1200 HydrophobicContact CE1-CG2 3.45Å; F1176-I1200 VanDerWaalsContact CE1-CG2 3.45Å; F1176-I1200 HydrophobicContact CZ-CG2 3.73Å; F1176-F1263 HydrophobicContact CD2-CE1 4.25Å; F1176-F1263 HydrophobicContact CD2-CZ 4.37Å; F1176-F1263 HydrophobicContact CE1-CE1 4.46Å; F1176-F1263 AromaticContact CE2-CE1 3.71Å; F1176-F1263 HydrophobicContact CE2-CE1 3.71Å; F1176-F1263 AromaticContact CE2-CZ 3.81Å; F1176-F1263 HydrophobicContact CE2-CZ 3.81Å; F1176-F1263 AromaticContact CZ-CE1 3.83Å; F1176-F1263 HydrophobicContact CZ-CE1 3.83Å; F1176-F1263 HydrophobicContact CZ-CZ 4.33Å
1177L94.6Very high90.1Very high3 Ų38.8 Ų8.82%0.0165%0.045CC..Hα-helixtrans-86.1-25.3-178.1-82.862.8000113.2Y177 L243 V1173 V1174 P1175 P1306Y177-L1177 HydrophobicContact CD1-CD2 4.17Å; Y177-L1177 HydrophobicContact CD1-CG 4.38Å; L243-L1177 HydrophobicContact CD2-CB 3.97Å; L243-L1177 HydrophobicContact CD2-CD2 4.26Å; V1173-L1177 HydrophobicContact CG1-CD1 4.08Å; V1174-L1177 PolarHBondContact O-N 3.01Å; P1175-L1177 VanDerWaalsContact C-N 3.29Å; P1175-L1177 PolarHBondContact O-N 2.87Å; L1177-P1306 HydrophobicContact CD2-CB 3.9Å; L1177-P1306 HydrophobicContact CD2-CG 4.06Å
1178M92.6Very high89.5Confident1 Ų111.3 Ų11.31%0.0055%0.053CC..Hα-helixtrans-101-11.3-176.6-67-84.272.100115.6L243 V1174 P1175 D1181 L1182 A1340 F1341L243-M1178 HydrophobicContact CD1-CE 3.59Å; L243-M1178 HydrophobicContact CD1-SD 3.78Å; L243-M1178 HydrophobicContact CD2-CE 3.88Å; L243-M1178 HydrophobicContact CG-CE 4.22Å; V1174-M1178 HydrophobicContact CG1-CB 4.47Å; V1174-M1178 HydrophobicContact CG1-CG 3.94Å; V1174-M1178 WeakPolarHBondContact O-CB 3.36Å; V1174-M1178 PolarHBondContact O-N 3.47Å; P1175-M1178 PolarHBondContact O-N 2.83Å; M1178-D1181 HydrophobicContact CE-CB 4.04Å; M1178-D1181 WeakPolarHBondContact CE-OD2 3.39Å; M1178-D1181 PolarHBondContact O-N 2.83Å; M1178-L1182 PolarHBondContact O-N 2.87Å; M1178-L1182 VanDerWaalsContact O-N 3.1Å; M1178-A1340 HydrophobicContact CG-CB 4.17Å; M1178-A1340 HydrophobicContact SD-CB 4.22Å; M1178-F1341 HydrophobicContact CB-CE2 3.93Å; M1178-F1341 HydrophobicContact CB-CZ 3.93Å
1179L92.2Very high89Confident0 Ų017.8 Ų17.80%08%0.081CC..Hα-helixtrans-53.9-45.8174.4-117.482000113.2P1175 D1181 L1182 L1183 I1196 I1197 I1200 L1246 F1341P1175-L1179 HydrophobicContact CB-CD1 4.19Å; P1175-L1179 WeakPolarHBondContact O-CB 3.39Å; P1175-L1179 WeakPolarHBondContact O-CD1 3.28Å; P1175-L1179 PolarHBondContact O-N 3.18Å; L1179-D1181 VanDerWaalsContact C-N 3.32Å; L1179-D1181 PolarHBondContact O-N 3.12Å; L1179-L1182 WeakPolarHBondContact O-CB 3.46Å; L1179-L1182 PolarHBondContact O-N 3.09Å; L1179-L1183 WeakPolarHBondContact O-CD1 3.47Å; L1179-L1183 VanDerWaalsContact O-CG 3.28Å; L1179-L1183 WeakPolarHBondContact O-CG 3.21Å; L1179-L1183 PolarHBondContact O-N 3.1Å; L1179-L1183 VanDerWaalsContact O-N 3.08Å; L1179-I1196 HydrophobicContact CD2-CB 4.08Å; L1179-I1196 HydrophobicContact CD2-CG2 3.29Å; L1179-I1197 HydrophobicContact CD2-CG1 4.31Å; L1179-I1200 HydrophobicContact CD1-CD1 4.41Å; L1179-I1200 HydrophobicContact CD2-CD1 3.86Å; L1179-L1246 HydrophobicContact CD1-CD1 4.04Å; L1179-F1341 HydrophobicContact CD1-CE1 3.84Å; L1179-F1341 HydrophobicContact CD1-CZ 4Å
1180P90.8Very high88.7Confident1 Ų118.6 Ų18.61%0.0069%0.085CC..Hα-helixtrans-61.5-36.2179.9-28.139.9000113.2L179 P183 L1183 A1184 I1197L179-P1180 HydrophobicContact CD2-CB 4.4Å; L179-P1180 HydrophobicContact CD2-CG 3.79Å; L179-P1180 HydrophobicContact CG-CG 4.33Å; P183-P1180 HydrophobicContact CG-CB 3.56Å; P1180-L1183 PolarHBondContact O-N 3.16Å; P1180-A1184 VanDerWaalsContact O-CB 3.26Å; P1180-A1184 WeakPolarHBondContact O-CB 3.22Å; P1180-A1184 PolarHBondContact O-N 3.36Å; P1180-I1197 HydrophobicContact CG-CD1 3.92Å
1181D88.3Confident88.4Confident4 Ų422 Ų222%0.02110%0.1CC..Hα-helixtrans-69-41.1174.3-91.3-18.8000112.5P183 R239 M1178 L1179 L1183 A1184 E1185 R1313P183-D1181 WeakPolarHBondContact CB-OD1 3.4Å; R239-D1181 VanDerWaalsContact CD-OD2 3.29Å; R239-D1181 WeakPolarHBondContact CD-OD2 3.45Å; R239-D1181 IonicContact CZ-OD1 3.31Å; R239-D1181 IonicContact CZ-OD2 3.73Å; R239-D1181 VanDerWaalsContact NE-CG 3.32Å; R239-D1181 IonicContact NE-OD1 3.36Å; R239-D1181 PolarHBondContact NE-OD1 3.05Å; R239-D1181 VanDerWaalsContact NE-OD1 3.08Å; R239-D1181 IonicContact NE-OD2 3.39Å; R239-D1181 PolarHBondContact NE-OD2 3.35Å; R239-D1181 IonicContact NH2-OD1 3.86Å; R239-D1181 PolarHBondContact NH2-OD1 2.87Å; R239-D1181 IonicContact NH2-OD2 2.66Å; M1178-D1181 HydrophobicContact CE-CB 4.04Å; M1178-D1181 WeakPolarHBondContact CE-OD2 3.39Å; M1178-D1181 PolarHBondContact O-N 2.83Å; L1179-D1181 VanDerWaalsContact C-N 3.32Å; L1179-D1181 PolarHBondContact O-N 3.12Å; D1181-L1183 PolarHBondContact O-N 2.84Å; D1181-A1184 PolarHBondContact O-N 3.26Å; D1181-E1185 WeakPolarHBondContact O-CB 3.19Å; D1181-E1185 WeakPolarHBondContact O-CG 3.29Å; D1181-E1185 PolarHBondContact O-N 3.34Å; D1181-R1313 VanDerWaalsContact CG-CZ 3.5Å; D1181-R1313 IonicContact OD1-CZ 2.72Å; D1181-R1313 IonicContact OD1-NH1 3.78Å; D1181-R1313 PolarHBondContact OD1-NH1 3.06Å; D1181-R1313 IonicContact OD2-CZ 3.37Å; D1181-R1313 IonicContact OD2-NE 2.74Å; D1181-R1313 IonicContact OD2-NH1 2.81Å; D1181-R1313 PolarHBondContact OD2-NH1 3.18Å
1182L88.5Confident88.3Confident0 Ų024 Ų240%011%0.111CC..Hα-helixtrans-59.6-35.1176.3176.967.3000112.1M1178 L1179 L1246 P1247 R1250 L1256 S1337 F1341M1178-L1182 PolarHBondContact O-N 2.87Å; M1178-L1182 VanDerWaalsContact O-N 3.1Å; L1179-L1182 WeakPolarHBondContact O-CB 3.46Å; L1179-L1182 PolarHBondContact O-N 3.09Å; L1182-L1246 HydrophobicContact CD2-CB 4.49Å; L1182-P1247 HydrophobicContact CD1-CB 4.39Å; L1182-R1250 HydrophobicContact CD1-CB 4.19Å; L1182-R1250 HydrophobicContact CG-CB 4.38Å; L1182-L1256 HydrophobicContact CD2-CD1 4.22Å; L1182-S1337 WeakPolarHBondContact CD1-OG 3.27Å; L1182-F1341 HydrophobicContact CB-CE2 3.86Å; L1182-F1341 HydrophobicContact CB-CZ 4.19Å; L1182-F1341 HydrophobicContact CD1-CE2 4.4Å; L1182-F1341 HydrophobicContact CD2-CD2 4.36Å; L1182-F1341 HydrophobicContact CD2-CE1 4.36Å; L1182-F1341 HydrophobicContact CD2-CE2 3.83Å; L1182-F1341 HydrophobicContact CD2-CZ 3.82Å; L1182-F1341 HydrophobicContact CG-CE2 4.24Å
1183L88.2Confident88.2Confident2 Ų223.8 Ų23.81%0.0111%0.11CC..Hα-helixtrans-82.7-40.1-179.3-69.4164.9000111.9L1179 P1180 D1181 M1186 N1187 W1188 S1193 I1196 L1256L1179-L1183 WeakPolarHBondContact O-CD1 3.47Å; L1179-L1183 VanDerWaalsContact O-CG 3.28Å; L1179-L1183 WeakPolarHBondContact O-CG 3.21Å; L1179-L1183 PolarHBondContact O-N 3.1Å; L1179-L1183 VanDerWaalsContact O-N 3.08Å; P1180-L1183 PolarHBondContact O-N 3.16Å; D1181-L1183 PolarHBondContact O-N 2.84Å; L1183-M1186 CarbonylContact O-C 3.52Å; L1183-M1186 WeakPolarHBondContact O-CA 3.48Å; L1183-M1186 WeakPolarHBondContact O-CB 3.49Å; L1183-M1186 PolarHBondContact O-N 3.13Å; L1183-N1187 PolarHBondContact O-N 2.88Å; L1183-W1188 HydrophobicContact CB-CB 4.15Å; L1183-W1188 HydrophobicContact CD2-CG 4.26Å; L1183-W1188 PolarHBondContact O-N 3.37Å; L1183-S1193 WeakPolarHBondContact CD1-OG 3.46Å; L1183-I1196 HydrophobicContact CD1-CD1 3.44Å; L1183-I1196 VanDerWaalsContact CD1-CD1 3.44Å; L1183-I1196 HydrophobicContact CD2-CD1 3.6Å; L1183-I1196 HydrophobicContact CG-CD1 4.17Å; L1183-L1256 HydrophobicContact CD2-CD1 4.37Å; L1183-L1256 HydrophobicContact CD2-CD2 4.16Å
1184A83.2Confident88.2Confident2 Ų223.8 Ų23.82%0.01711%0.11CC..Hα-helixtrans-63.5-39.1172.900000111.7P183 C185 C224 P226 P1180 D1181 M1186 N1187P183-A1184 HydrophobicContact CB-CB 3.84Å; P183-A1184 HydrophobicContact CG-CB 4.19Å; P183-A1184 WeakPolarHBondContact O-CB 3.44Å; C185-A1184 PolarHBondContact SG-O 3.39Å; C224-A1184 PolarHBondContact SG-O 2.96Å; C224-A1184 VanDerWaalsContact SG-O 3.35Å; P226-A1184 HydrophobicContact CB-CB 3.67Å; P226-A1184 HydrophobicContact CG-CB 3.43Å; P226-A1184 VanDerWaalsContact CG-CB 3.43Å; P1180-A1184 VanDerWaalsContact O-CB 3.26Å; P1180-A1184 WeakPolarHBondContact O-CB 3.22Å; P1180-A1184 PolarHBondContact O-N 3.36Å; D1181-A1184 PolarHBondContact O-N 3.26Å; A1184-M1186 PolarHBondContact O-N 3.38Å; A1184-N1187 WeakPolarHBondContact O-CA 3.2Å; A1184-N1187 PolarHBondContact O-N 3.15Å
1185E79.1Confident88.2Confident4 Ų428.5 Ų28.52%0.01913%0.13CC..THydrogen-bonded Turntrans-55.6-21.3171.7-80.6173.5-167.800113.3P226 D1181 R1250 R1313 H1334 S1337P226-E1185 HydrophobicContact CG-CG 3.91Å; D1181-E1185 WeakPolarHBondContact O-CB 3.19Å; D1181-E1185 WeakPolarHBondContact O-CG 3.29Å; D1181-E1185 PolarHBondContact O-N 3.34Å; E1185-R1250 IonicContact OE2-NH1 3.63Å; E1185-R1313 IonicContact OE1-CZ 2.78Å; E1185-R1313 VanDerWaalsContact OE1-CZ 3.23Å; E1185-R1313 IonicContact OE1-NE 3.27Å; E1185-R1313 PolarHBondContact OE1-NE 3.07Å; E1185-R1313 IonicContact OE1-NH2 2.76Å; E1185-R1313 PolarHBondContact OE1-NH2 3.06Å; E1185-H1334 VanDerWaalsContact OE2-O 3.09Å; E1185-S1337 WeakPolarHBondContact OE1-CB 3.41Å; E1185-S1337 PolarHBondContact OE1-N 3.4Å; E1185-S1337 VanDerWaalsContact OE2-CB 3.3Å; E1185-S1337 WeakPolarHBondContact OE2-CB 3.43Å; E1185-S1337 PolarHBondContact OE2-N 2.99Å; E1185-S1337 PolarHBondContact OE2-OG 3.29Å
1186M77.2Confident88.3Confident41 Ų4128.5 Ų28.520%0.20213%0.13CC..THydrogen-bonded Turntrans-100.81.7176.2-69.7-64.4-51.900113.8L1183 A1184 R1250 R1251 A1333L1183-M1186 CarbonylContact O-C 3.52Å; L1183-M1186 WeakPolarHBondContact O-CA 3.48Å; L1183-M1186 WeakPolarHBondContact O-CB 3.49Å; L1183-M1186 PolarHBondContact O-N 3.13Å; A1184-M1186 PolarHBondContact O-N 3.38Å; M1186-R1250 HydrophobicContact CG-CB 4.32Å; M1186-R1250 HydrophobicContact CG-CG 4.08Å; M1186-R1250 HydrophobicContact SD-CG 4.06Å; M1186-R1251 HydrophobicContact CE-CG 4.04Å; M1186-A1333 HydrophobicContact SD-CB 4.22Å
1187N76.3Confident88.4Confident43 Ų4328.2 Ų28.223%0.2313%0.129CC..THydrogen-bonded Turntrans62.234.5-172.5-60.9-102.4000115.3C224 L1183 A1184C224-N1187 PolarHBondContact SG-ND2 3.36Å; C224-N1187 VanDerWaalsContact SG-ND2 3.36Å; C224-N1187 PolarHBondContact SG-OD1 2.88Å; L1183-N1187 PolarHBondContact O-N 2.88Å; A1184-N1187 WeakPolarHBondContact O-CA 3.2Å; A1184-N1187 PolarHBondContact O-N 3.15Å
1188W82.3Confident88.5Confident90 Ų9028.5 Ų28.534%0.34113%0.132SC..  trans-77.9164.3163.4-62.2104.7000111.2L1183 D1192 Y1253L1183-W1188 HydrophobicContact CB-CB 4.15Å; L1183-W1188 HydrophobicContact CD2-CG 4.26Å; L1183-W1188 PolarHBondContact O-N 3.37Å; W1188-D1192 HydrophobicContact CB-CB 4.21Å; W1188-Y1253 HydrophobicContact CD2-CD2 4.21Å; W1188-Y1253 HydrophobicContact CE3-CD2 4.15Å; W1188-Y1253 HydrophobicContact CH2-CD2 4.45Å; W1188-Y1253 HydrophobicContact CH2-CG 4.25Å; W1188-Y1253 HydrophobicContact CZ2-CD2 4.48Å; W1188-Y1253 HydrophobicContact CZ3-CD2 4.26Å; W1188-Y1253 HydrophobicContact CZ3-CG 4.28Å
1189K84.6Confident88.6Confident136 Ų13629.1 Ų29.159%0.59114%0.136SC*.  trans-85.1166179.5-60178.5177.1-179.20112.6E1191 D1192 S1193K1189-E1191 VanDerWaalsContact C-N 3.27Å; K1189-E1191 PolarHBondContact O-N 3.34Å; K1189-D1192 VanDerWaalsContact CB-OD2 3.32Å; K1189-D1192 WeakPolarHBondContact CB-OD2 3.46Å; K1189-D1192 PolarHBondContact N-OD2 2.82Å; K1189-D1192 PolarHBondContact O-N 2.85Å; K1189-S1193 PolarHBondContact O-N 3.28Å; K1189-S1193 VanDerWaalsContact O-N 3.11Å; K1189-S1193 PolarHBondContact O-OG 2.72Å
1190L87.2Confident88.8Confident24 Ų2429.2 Ų29.213%0.12614%0.136CC..Hα-helixtrans-61.2-35.6169.4-167.272.3000112L179 P350 V353 S1193 G1194L179-L1190 HydrophobicContact CD2-CD1 3.97Å; P350-L1190 HydrophobicContact CB-CD2 4.04Å; P350-L1190 HydrophobicContact CB-CG 4.01Å; P350-L1190 HydrophobicContact CG-CG 4.49Å; V353-L1190 HydrophobicContact CB-CD2 4.36Å; V353-L1190 HydrophobicContact CG1-CD2 4.18Å; L1190-S1193 WeakPolarHBondContact O-CB 3.36Å; L1190-S1193 PolarHBondContact O-N 3.08Å; L1190-G1194 PolarHBondContact O-N 3.41Å
1191E89.1Confident89Confident100 Ų10029.1 Ų29.147%0.46714%0.136SC..Hα-helixtrans-64.5-42176.8-60-174.5131.900112.2K1189 S1193 G1194 F1195K1189-E1191 VanDerWaalsContact C-N 3.27Å; K1189-E1191 PolarHBondContact O-N 3.34Å; E1191-S1193 VanDerWaalsContact C-N 3.31Å; E1191-S1193 PolarHBondContact O-N 3.3Å; E1191-G1194 PolarHBondContact O-N 2.95Å; E1191-F1195 PolarHBondContact O-N 3.11Å
1192D90.7Very high89.3Confident40 Ų4030.1 Ų30.121%0.21415%0.145CC..Hα-helixtrans-62-42174.9-55.1-38.1000110.4W1188 K1189 G1194 F1195 I1196 Y1253W1188-D1192 HydrophobicContact CB-CB 4.21Å; K1189-D1192 VanDerWaalsContact CB-OD2 3.32Å; K1189-D1192 WeakPolarHBondContact CB-OD2 3.46Å; K1189-D1192 PolarHBondContact N-OD2 2.82Å; K1189-D1192 PolarHBondContact O-N 2.85Å; D1192-G1194 VanDerWaalsContact C-N 3.35Å; D1192-G1194 PolarHBondContact O-N 3.23Å; D1192-F1195 PolarHBondContact O-N 3.02Å; D1192-I1196 WeakPolarHBondContact O-CG1 3.29Å; D1192-I1196 PolarHBondContact O-N 3.44Å; D1192-I1196 VanDerWaalsContact O-N 3.11Å; D1192-Y1253 HydrophobicContact CB-CE2 3.83Å; D1192-Y1253 PolarHBondContact O-OH 2.89Å
1193S92.2Very high89.6Confident2 Ų230.2 Ų30.21%0.01415%0.145CC..Hα-helixtrans-63-40.1175.4-540000112.5L1183 K1189 L1190 E1191 I1196 I1197L1183-S1193 WeakPolarHBondContact CD1-OG 3.46Å; K1189-S1193 PolarHBondContact O-N 3.28Å; K1189-S1193 VanDerWaalsContact O-N 3.11Å; K1189-S1193 PolarHBondContact O-OG 2.72Å; L1190-S1193 WeakPolarHBondContact O-CB 3.36Å; L1190-S1193 PolarHBondContact O-N 3.08Å; E1191-S1193 VanDerWaalsContact C-N 3.31Å; E1191-S1193 PolarHBondContact O-N 3.3Å; S1193-I1196 PolarHBondContact O-N 3Å; S1193-I1197 PolarHBondContact O-N 3.23Å; S1193-I1197 VanDerWaalsContact O-N 3.07Å
1194G93.5Very high90Very high0 Ų030.5 Ų30.50%015%0.147CC..Hα-helixtrans-63.1-43172.900000113.5G346 L1190 E1191 D1192 I1196 I1197 S1198G346-G1194 CarbonylContact C-O 3.27Å; G346-G1194 WeakPolarHBondContact CA-O 3.01Å; G346-G1194 CarbonylContact O-C 3.55Å; G346-G1194 VanDerWaalsContact O-C 3.24Å; G346-G1194 WeakPolarHBondContact O-CA 3.37Å; L1190-G1194 PolarHBondContact O-N 3.41Å; E1191-G1194 PolarHBondContact O-N 2.95Å; D1192-G1194 VanDerWaalsContact C-N 3.35Å; D1192-G1194 PolarHBondContact O-N 3.23Å; G1194-I1196 VanDerWaalsContact C-N 3.33Å; G1194-I1196 PolarHBondContact O-N 3.33Å; G1194-I1197 PolarHBondContact O-N 2.92Å; G1194-S1198 WeakPolarHBondContact O-CB 3.25Å; G1194-S1198 PolarHBondContact O-N 3.28Å; G1194-S1198 PolarHBondContact O-OG 2.74Å
1195F95.4Very high90.5Very high99 Ų9931.2 Ų31.243%0.43415%0.151SC..Hα-helixtrans-61.2-39.8176.2-176.1-97.2000112.6E1191 D1192 S1198 S1199 Y1253 V1257E1191-F1195 PolarHBondContact O-N 3.11Å; D1192-F1195 PolarHBondContact O-N 3.02Å; F1195-S1198 CarbonylContact O-C 3.36Å; F1195-S1198 WeakPolarHBondContact O-CB 3.41Å; F1195-S1198 PolarHBondContact O-N 3.39Å; F1195-S1199 PolarHBondContact O-N 3.3Å; F1195-Y1253 WeakPolarHBondContact CD1-OH 3.31Å; F1195-V1257 HydrophobicContact CD1-CG2 4.13Å; F1195-V1257 HydrophobicContact CE1-CG1 3.99Å; F1195-V1257 HydrophobicContact CE1-CG2 4.08Å
1196I95Very high91.2Very high0 Ų037.7 Ų37.70%018%0.179CC..Hα-helixtrans-71.2-41.5177.6-61.4156.9000111.4L1179 L1183 D1192 S1193 G1194 S1198 S1199 I1200 Y1253 L1256 V1257 S1260L1179-I1196 HydrophobicContact CD2-CB 4.08Å; L1179-I1196 HydrophobicContact CD2-CG2 3.29Å; L1183-I1196 HydrophobicContact CD1-CD1 3.44Å; L1183-I1196 VanDerWaalsContact CD1-CD1 3.44Å; L1183-I1196 HydrophobicContact CD2-CD1 3.6Å; L1183-I1196 HydrophobicContact CG-CD1 4.17Å; D1192-I1196 WeakPolarHBondContact O-CG1 3.29Å; D1192-I1196 PolarHBondContact O-N 3.44Å; D1192-I1196 VanDerWaalsContact O-N 3.11Å; S1193-I1196 PolarHBondContact O-N 3Å; G1194-I1196 VanDerWaalsContact C-N 3.33Å; G1194-I1196 PolarHBondContact O-N 3.33Å; I1196-S1198 PolarHBondContact O-N 3.13Å; I1196-S1199 PolarHBondContact O-N 2.9Å; I1196-S1199 PolarHBondContact O-OG 3.43Å; I1196-S1199 VanDerWaalsContact O-OG 3.04Å; I1196-I1200 PolarHBondContact O-N 3.22Å; I1196-Y1253 HydrophobicContact CD1-CD2 3.98Å; I1196-Y1253 HydrophobicContact CD1-CE2 3.41Å; I1196-Y1253 VanDerWaalsContact CD1-CE2 3.41Å; I1196-Y1253 HydrophobicContact CG1-CE2 3.88Å; I1196-L1256 HydrophobicContact CB-CD2 4.47Å; I1196-L1256 HydrophobicContact CD1-CD2 3.48Å; I1196-L1256 VanDerWaalsContact CD1-CD2 3.48Å; I1196-L1256 HydrophobicContact CG1-CD2 4.08Å; I1196-L1256 HydrophobicContact CG2-CD2 3.67Å; I1196-V1257 HydrophobicContact CG1-CG2 3.73Å; I1196-S1260 VanDerWaalsContact CG2-CB 3.46Å; I1196-S1260 WeakPolarHBondContact CG2-OG 3.41Å
1197I94.9Very high91.9Very high0 Ų035.8 Ų35.80%017%0.17CC..Hα-helixtrans-61.2-33172.2-71.6171000110.8T176 L179 L1179 P1180 S1193 G1194 I1200 G1201T176-I1197 HydrophobicContact CG2-CG2 4.13Å; L179-I1197 HydrophobicContact CD1-CD1 3.94Å; L179-I1197 HydrophobicContact CD2-CD1 4.01Å; L179-I1197 HydrophobicContact CG-CD1 3.81Å; L1179-I1197 HydrophobicContact CD2-CG1 4.31Å; P1180-I1197 HydrophobicContact CG-CD1 3.92Å; S1193-I1197 PolarHBondContact O-N 3.23Å; S1193-I1197 VanDerWaalsContact O-N 3.07Å; G1194-I1197 PolarHBondContact O-N 2.92Å; I1197-I1200 PolarHBondContact O-N 2.99Å; I1197-G1201 PolarHBondContact O-N 3.08Å
1198S96.6Very high92.6Very high10 Ų1034 Ų347%0.0716%0.16CC..Hα-helixtrans-67.8-33.2172.1-47.90000112.8L343 G346 Q347 G1194 F1195 I1196 G1201 A1202L343-S1198 PolarHBondContact O-OG 3.42Å; G346-S1198 VanDerWaalsContact C-OG 3.27Å; G346-S1198 WeakPolarHBondContact CA-OG 3.39Å; Q347-S1198 PolarHBondContact N-OG 2.92Å; Q347-S1198 PolarHBondContact NE2-OG 3.02Å; G1194-S1198 WeakPolarHBondContact O-CB 3.25Å; G1194-S1198 PolarHBondContact O-N 3.28Å; G1194-S1198 PolarHBondContact O-OG 2.74Å; F1195-S1198 CarbonylContact O-C 3.36Å; F1195-S1198 WeakPolarHBondContact O-CB 3.41Å; F1195-S1198 PolarHBondContact O-N 3.39Å; I1196-S1198 PolarHBondContact O-N 3.13Å; S1198-G1201 PolarHBondContact O-N 2.85Å; S1198-A1202 PolarHBondContact O-N 2.9Å
1199S95.4Very high93.1Very high14 Ų1432.8 Ų32.810%0.09816%0.16CC..Hα-helixtrans-71.2-34.7174.789.70000112.2F1195 I1196 G1201 A1202 G1203 V1257F1195-S1199 PolarHBondContact O-N 3.3Å; I1196-S1199 PolarHBondContact O-N 2.9Å; I1196-S1199 PolarHBondContact O-OG 3.43Å; I1196-S1199 VanDerWaalsContact O-OG 3.04Å; S1199-G1201 VanDerWaalsContact C-N 3.33Å; S1199-A1202 PolarHBondContact O-N 3.44Å; S1199-G1203 PolarHBondContact O-N 3.42Å; S1199-V1257 PolarHBondContact OG-O 3.05Å; S1199-V1257 VanDerWaalsContact OG-O 3.07Å
1200I96.1Very high93.2Very high1 Ų133.3 Ų33.31%0.00516%0.163CC..Hα-helixtrans-59.7-46167.2-54.9172.4000109.7F1176 L1179 I1196 I1197 G1203 N1204 S1260 F1263 G1264F1176-I1200 HydrophobicContact CD1-CD1 4.48Å; F1176-I1200 HydrophobicContact CD1-CG2 4.38Å; F1176-I1200 HydrophobicContact CE1-CB 4.3Å; F1176-I1200 HydrophobicContact CE1-CG2 3.45Å; F1176-I1200 VanDerWaalsContact CE1-CG2 3.45Å; F1176-I1200 HydrophobicContact CZ-CG2 3.73Å; L1179-I1200 HydrophobicContact CD1-CD1 4.41Å; L1179-I1200 HydrophobicContact CD2-CD1 3.86Å; I1196-I1200 PolarHBondContact O-N 3.22Å; I1197-I1200 PolarHBondContact O-N 2.99Å; I1200-G1203 PolarHBondContact O-N 3.02Å; I1200-N1204 VanDerWaalsContact O-CB 3.3Å; I1200-N1204 WeakPolarHBondContact O-CB 3.3Å; I1200-N1204 PolarHBondContact O-N 3.27Å; I1200-S1260 WeakPolarHBondContact CG1-O 3.43Å; I1200-F1263 HydrophobicContact CD1-CD1 4.04Å; I1200-F1263 HydrophobicContact CD1-CE1 4.28Å; I1200-F1263 HydrophobicContact CG1-CD1 4.18Å; I1200-F1263 HydrophobicContact CG2-CD1 3.71Å; I1200-F1263 HydrophobicContact CG2-CE1 3.91Å; I1200-G1264 WeakPolarHBondContact O-CA 3.43Å
1201G95.4Very high93.1Very high0 Ų032.2 Ų32.20%016%0.157CC..Hα-helixtrans-60.9-45.4178.100000114.1G339 I1197 S1198 S1199 N1204 T1205G339-G1201 CarbonylContact C-O 3.28Å; G339-G1201 WeakPolarHBondContact CA-O 3.48Å; G339-G1201 CarbonylContact O-C 3.55Å; G339-G1201 VanDerWaalsContact O-C 3.29Å; G339-G1201 WeakPolarHBondContact O-CA 3.45Å; I1197-G1201 PolarHBondContact O-N 3.08Å; S1198-G1201 PolarHBondContact O-N 2.85Å; S1199-G1201 VanDerWaalsContact C-N 3.33Å; G1201-N1204 PolarHBondContact O-N 3.01Å; G1201-T1205 PolarHBondContact O-N 3.33Å; G1201-T1205 PolarHBondContact O-OG1 3.37Å
1202A95.3Very high92.8Very high25 Ų2527.6 Ų27.621%0.20714%0.136CC..Hα-helixtrans-59.9-52.1173.800000111.3L343 S1198 S1199 N1204 T1205 F1206L343-A1202 HydrophobicContact CD1-CB 4.05Å; S1198-A1202 PolarHBondContact O-N 2.9Å; S1199-A1202 PolarHBondContact O-N 3.44Å; A1202-N1204 VanDerWaalsContact C-N 3.3Å; A1202-N1204 PolarHBondContact O-N 3.07Å; A1202-T1205 WeakPolarHBondContact O-CB 3.48Å; A1202-T1205 PolarHBondContact O-N 2.97Å; A1202-T1205 VanDerWaalsContact O-N 3.14Å; A1202-F1206 WeakPolarHBondContact O-CD2 3.16Å; A1202-F1206 PolarHBondContact O-N 3.47Å
1203G95.1Very high92.5Very high1 Ų132.1 Ų32.11%0.0115%0.154CC..Hα-helixtrans-55.7-44176.200000112.4S1199 I1200 T1205 F1206 G1207 L1265S1199-G1203 PolarHBondContact O-N 3.42Å; I1200-G1203 PolarHBondContact O-N 3.02Å; G1203-T1205 VanDerWaalsContact C-N 3.35Å; G1203-T1205 PolarHBondContact O-N 2.93Å; G1203-F1206 PolarHBondContact O-N 3.06Å; G1203-G1207 PolarHBondContact O-N 3.12Å; G1203-L1265 VanDerWaalsContact O-CA 3.26Å; G1203-L1265 WeakPolarHBondContact O-CA 3.42Å
1204N94.7Very high92Very high9 Ų935.4 Ų35.45%0.04817%0.167CC..Hα-helixtrans-66.3-36179.2-155.7-92.5000112.4I1200 G1201 A1202 R1208 G1264 S1267 A1268I1200-N1204 VanDerWaalsContact O-CB 3.3Å; I1200-N1204 WeakPolarHBondContact O-CB 3.3Å; I1200-N1204 PolarHBondContact O-N 3.27Å; G1201-N1204 PolarHBondContact O-N 3.01Å; A1202-N1204 VanDerWaalsContact C-N 3.3Å; A1202-N1204 PolarHBondContact O-N 3.07Å; N1204-R1208 WeakPolarHBondContact O-CG 3.28Å; N1204-R1208 PolarHBondContact O-N 3.3Å; N1204-R1208 VanDerWaalsContact OD1-CZ 3.27Å; N1204-R1208 PolarHBondContact OD1-NE 2.98Å; N1204-R1208 PolarHBondContact OD1-NH2 2.99Å; N1204-G1264 VanDerWaalsContact CA-O 3.22Å; N1204-G1264 WeakPolarHBondContact CA-O 3.4Å; N1204-G1264 PolarHBondContact ND2-O 3.01Å; N1204-S1267 PolarHBondContact ND2-OG 3.42Å; N1204-S1267 VanDerWaalsContact ND2-OG 3.11Å; N1204-A1268 HydrophobicContact CB-CB 4.48Å; N1204-A1268 WeakPolarHBondContact ND2-CA 3.48Å; N1204-A1268 PolarHBondContact ND2-N 2.93Å; N1204-A1268 WeakPolarHBondContact O-CB 3.37Å
1205T94.6Very high91.2Very high16 Ų1635.8 Ų35.810%0.09817%0.169CC..Hα-helixtrans-64.7-50.8175.9-51.10000111C336 G339 M340 G1201 A1202 G1203 R1208 L1209C336-T1205 HydrophobicContact CB-CG2 4.41Å; G339-T1205 WeakPolarHBondContact CA-OG1 3.27Å; M340-T1205 PolarHBondContact N-OG1 2.79Å; G1201-T1205 PolarHBondContact O-N 3.33Å; G1201-T1205 PolarHBondContact O-OG1 3.37Å; A1202-T1205 WeakPolarHBondContact O-CB 3.48Å; A1202-T1205 PolarHBondContact O-N 2.97Å; A1202-T1205 VanDerWaalsContact O-N 3.14Å; G1203-T1205 VanDerWaalsContact C-N 3.35Å; G1203-T1205 PolarHBondContact O-N 2.93Å; T1205-R1208 PolarHBondContact O-N 3.32Å; T1205-L1209 HydrophobicContact CG2-CD1 4.45Å; T1205-L1209 WeakPolarHBondContact O-CG 3.21Å; T1205-L1209 PolarHBondContact O-N 3.01Å; T1205-L1209 VanDerWaalsContact O-N 3.14Å
1206F93.8Very high90.4Very high140 Ų14032.7 Ų32.761%0.61416%0.155SC*.Hα-helixtrans-65.5-38.5176.9-71-66.2000112.6A1202 G1203 R1208 L1209 F1210A1202-F1206 WeakPolarHBondContact O-CD2 3.16Å; A1202-F1206 PolarHBondContact O-N 3.47Å; G1203-F1206 PolarHBondContact O-N 3.06Å; F1206-R1208 PolarHBondContact O-N 3.04Å; F1206-L1209 PolarHBondContact O-N 3.21Å; F1206-F1210 WeakPolarHBondContact O-CB 3.25Å; F1206-F1210 PolarHBondContact O-N 3.44Å
1207G91.8Very high89.4Confident1 Ų138.6 Ų38.61%0.0118%0.181CC..Hα-helixtrans-62.1-39176.300000113.1G1203 A1211G1203-G1207 PolarHBondContact O-N 3.12Å; G1207-A1211 WeakPolarHBondContact O-CB 3.44Å; G1207-A1211 PolarHBondContact O-N 3.45Å
1208R92Very high88.1Confident5 Ų539.7 Ų39.72%0.01919%0.191CC..Hα-helixtrans-67.5-50174.7-72.1-174.7-159.6-147.7-7.6111L335 C336 S338 N1204 T1205 F1206 F1210 A1211 T1212 A1268L335-R1208 VanDerWaalsContact O-CD 3.31Å; L335-R1208 WeakPolarHBondContact O-CD 3.39Å; L335-R1208 PolarHBondContact O-NH1 3.04Å; C336-R1208 VanDerWaalsContact SG-CB 3.56Å; S338-R1208 PolarHBondContact OG-NH1 3.16Å; S338-R1208 PolarHBondContact OG-NH2 2.93Å; N1204-R1208 WeakPolarHBondContact O-CG 3.28Å; N1204-R1208 PolarHBondContact O-N 3.3Å; N1204-R1208 VanDerWaalsContact OD1-CZ 3.27Å; N1204-R1208 PolarHBondContact OD1-NE 2.98Å; N1204-R1208 PolarHBondContact OD1-NH2 2.99Å; T1205-R1208 PolarHBondContact O-N 3.32Å; F1206-R1208 PolarHBondContact O-N 3.04Å; R1208-F1210 PolarHBondContact O-N 3.15Å; R1208-A1211 PolarHBondContact O-N 3.4Å; R1208-T1212 WeakPolarHBondContact O-CB 3.45Å; R1208-T1212 WeakPolarHBondContact O-CG2 3.42Å; R1208-T1212 PolarHBondContact O-N 3.32Å; R1208-T1212 PolarHBondContact O-OG1 3.34Å; R1208-A1268 HydrophobicContact CG-CB 3.67Å
1209L91Very high86.5Confident65 Ų6548 Ų4834%0.3422%0.22SC..Hα-helixtrans-56.4-47.4178.4-69.2171.9000112.3L333 T1205 F1206 T1212 F1213L333-L1209 HydrophobicContact CD2-CD2 3.59Å; T1205-L1209 HydrophobicContact CG2-CD1 4.45Å; T1205-L1209 WeakPolarHBondContact O-CG 3.21Å; T1205-L1209 PolarHBondContact O-N 3.01Å; T1205-L1209 VanDerWaalsContact O-N 3.14Å; F1206-L1209 PolarHBondContact O-N 3.21Å; L1209-T1212 PolarHBondContact O-N 3.39Å; L1209-T1212 PolarHBondContact O-OG1 3Å; L1209-T1212 VanDerWaalsContact O-OG1 3.08Å; L1209-F1213 WeakPolarHBondContact O-CB 3.41Å; L1209-F1213 PolarHBondContact O-N 3.19Å
1210F88.3Confident84.9Confident147 Ų14752 Ų5265%0.64525%0.249SC*.Hα-helixtrans-64-46.2178.2-177.6-94.9000111.7F1206 R1208 T1212 Y1214F1206-F1210 WeakPolarHBondContact O-CB 3.25Å; F1206-F1210 PolarHBondContact O-N 3.44Å; R1208-F1210 PolarHBondContact O-N 3.15Å; F1210-T1212 PolarHBondContact O-N 3.37Å; F1210-Y1214 WeakPolarHBondContact O-CB 3.5Å; F1210-Y1214 PolarHBondContact O-N 3.45Å
1211A84.6Confident82.8Confident1 Ų155 Ų551%0.00827%0.267CS..Hα-helixtrans-60.2-45.6176.600000111.8G1207 R1208 Y1214 I1215 V1269G1207-A1211 WeakPolarHBondContact O-CB 3.44Å; G1207-A1211 PolarHBondContact O-N 3.45Å; R1208-A1211 PolarHBondContact O-N 3.4Å; A1211-Y1214 PolarHBondContact O-N 3.11Å; A1211-I1215 WeakPolarHBondContact O-CB 3.5Å; A1211-I1215 VanDerWaalsContact O-CD1 3.22Å; A1211-I1215 WeakPolarHBondContact O-CD1 3.46Å; A1211-I1215 WeakPolarHBondContact O-CG1 3.22Å; A1211-I1215 PolarHBondContact O-N 3.33Å; A1211-V1269 HydrophobicContact CB-CG1 4.38Å; A1211-V1269 HydrophobicContact CB-CG2 4.22Å
1212T83.7Confident80.7Confident4 Ų461.9 Ų61.93%0.02531%0.309CS..Hα-helixtrans-70-37.9-175.356.30000112.1G332 R1208 L1209 F1210 E1216G332-T1212 VanDerWaalsContact CA-CG2 3.42Å; R1208-T1212 WeakPolarHBondContact O-CB 3.45Å; R1208-T1212 WeakPolarHBondContact O-CG2 3.42Å; R1208-T1212 PolarHBondContact O-N 3.32Å; R1208-T1212 PolarHBondContact O-OG1 3.34Å; L1209-T1212 PolarHBondContact O-N 3.39Å; L1209-T1212 PolarHBondContact O-OG1 3Å; L1209-T1212 VanDerWaalsContact O-OG1 3.08Å; F1210-T1212 PolarHBondContact O-N 3.37Å; T1212-E1216 VanDerWaalsContact O-CB 3.3Å; T1212-E1216 WeakPolarHBondContact O-CB 3.23Å; T1212-E1216 PolarHBondContact O-N 3Å
1213F83.7Confident78.5Confident135 Ų13568.4 Ų68.459%0.59233%0.33SS*.Hα-helixtrans-70.9-39.7174.9-170.7-101.2000112.1L1209 E1216 K1217L1209-F1213 WeakPolarHBondContact O-CB 3.41Å; L1209-F1213 PolarHBondContact O-N 3.19Å; F1213-E1216 PolarHBondContact O-N 3.02Å; F1213-K1217 PolarHBondContact O-N 3.05Å
1214Y81.8Confident76.4Confident70 Ų7079.6 Ų79.628%0.27537%0.372SS..Hα-helixtrans-62.2-44173.8-178.3-90000111.5F1210 A1211 A1218 W1225 A1226 M1231F1210-Y1214 WeakPolarHBondContact O-CB 3.5Å; F1210-Y1214 PolarHBondContact O-N 3.45Å; A1211-Y1214 PolarHBondContact O-N 3.11Å; Y1214-A1218 WeakPolarHBondContact O-CB 3.38Å; Y1214-A1218 PolarHBondContact O-N 3.46Å; Y1214-W1225 HydrophobicContact CE2-CH2 4.41Å; Y1214-W1225 WeakPolarHBondContact OH-CZ3 3.41Å; Y1214-A1226 HydrophobicContact CE1-CB 3.75Å; Y1214-M1231 HydrophobicContact CD1-CE 3.4Å; Y1214-M1231 VanDerWaalsContact CD1-CE 3.4Å; Y1214-M1231 HydrophobicContact CD1-SD 3.62Å; Y1214-M1231 HydrophobicContact CE1-CE 3.8Å; Y1214-M1231 HydrophobicContact CE1-CG 4.47Å; Y1214-M1231 HydrophobicContact CE1-SD 3.52Å; Y1214-M1231 VanDerWaalsContact CE1-SD 3.52Å; Y1214-M1231 HydrophobicContact CG-CE 4.34Å
1215I76.3Confident74.4Confident8 Ų887.8 Ų87.84%0.04140%0.402CS..Hα-helixtrans-65.5-44.3175.5-65.2157.3000110.7P328 A1211 A1218 W1219 M1231 L1273 I1276P328-I1215 HydrophobicContact CB-CG2 4.35Å; A1211-I1215 WeakPolarHBondContact O-CB 3.5Å; A1211-I1215 VanDerWaalsContact O-CD1 3.22Å; A1211-I1215 WeakPolarHBondContact O-CD1 3.46Å; A1211-I1215 WeakPolarHBondContact O-CG1 3.22Å; A1211-I1215 PolarHBondContact O-N 3.33Å; I1215-A1218 CarbonylContact O-C 3.58Å; I1215-A1218 PolarHBondContact O-N 3.43Å; I1215-W1219 VanDerWaalsContact O-CB 3.24Å; I1215-W1219 WeakPolarHBondContact O-CB 3.33Å; I1215-W1219 PolarHBondContact O-N 2.98Å; I1215-M1231 HydrophobicContact CG1-CE 4.32Å; I1215-M1231 HydrophobicContact CG1-SD 4.29Å; I1215-L1273 HydrophobicContact CD1-CD2 3.43Å; I1215-L1273 VanDerWaalsContact CD1-CD2 3.43Å; I1215-L1273 HydrophobicContact CD1-CG 4.07Å; I1215-L1273 HydrophobicContact CG1-CD2 4.18Å; I1215-I1276 HydrophobicContact CD1-CD1 4.04Å; I1215-I1276 HydrophobicContact CG2-CD1 4.19Å
1216E77.6Confident72.8Confident34 Ų3488 Ų8816%0.15941%0.406CS..Hα-helixtrans-59.3-48.4178-174.8175.1-155.300111.4L329 T1212 F1213 A1218 W1219 S1220L329-E1216 WeakPolarHBondContact CB-OE2 3.47Å; L329-E1216 WeakPolarHBondContact CD2-OE2 3.3Å; T1212-E1216 VanDerWaalsContact O-CB 3.3Å; T1212-E1216 WeakPolarHBondContact O-CB 3.23Å; T1212-E1216 PolarHBondContact O-N 3Å; F1213-E1216 PolarHBondContact O-N 3.02Å; E1216-A1218 VanDerWaalsContact C-N 3.33Å; E1216-A1218 PolarHBondContact O-N 3.39Å; E1216-W1219 PolarHBondContact O-N 3.42Å; E1216-S1220 VanDerWaalsContact O-CB 3.25Å; E1216-S1220 WeakPolarHBondContact O-CB 3.48Å; E1216-S1220 PolarHBondContact O-N 3.32Å
1217K74.9Confident71.9Confident124 Ų12483 Ų8354%0.53939%0.385SS..Hα-helixtrans-67.8-31.5177.8-165.2158.9-173164.80112.7F1213 T1221F1213-K1217 PolarHBondContact O-N 3.05Å; K1217-T1221 PolarHBondContact O-N 3.36Å; K1217-T1221 PolarHBondContact O-OG1 2.97Å
1218A66.7Low71.4Confident24 Ų2483.5 Ų83.520%0.19839%0.388CS..Hα-helixtrans-75.7-26.217400000114.5Y1214 I1215 E1216 A1226Y1214-A1218 WeakPolarHBondContact O-CB 3.38Å; Y1214-A1218 PolarHBondContact O-N 3.46Å; I1215-A1218 CarbonylContact O-C 3.58Å; I1215-A1218 PolarHBondContact O-N 3.43Å; E1216-A1218 VanDerWaalsContact C-N 3.33Å; E1216-A1218 PolarHBondContact O-N 3.39Å; A1218-A1226 HydrophobicContact CB-CB 3.52Å
1219W63.5Low71Confident183 Ų18383.4 Ų83.469%0.69339%0.388SS*.Hα-helixtrans-85.4-30.7176.2-156.377000111.5I1215 E1216 T1221I1215-W1219 VanDerWaalsContact O-CB 3.24Å; I1215-W1219 WeakPolarHBondContact O-CB 3.33Å; I1215-W1219 PolarHBondContact O-N 2.98Å; E1216-W1219 PolarHBondContact O-N 3.42Å; W1219-T1221 VanDerWaalsContact C-N 3.32Å
1220S62.3Low70.6Confident100 Ų10087.1 Ų87.170%0.69940%0.398SS*.SBendtrans-76.7-11.3174.9-171.70000114.4E1216E1216-S1220 VanDerWaalsContact O-CB 3.25Å; E1216-S1220 WeakPolarHBondContact O-CB 3.48Å; E1216-S1220 PolarHBondContact O-N 3.32Å
1221T51.6Low70.5Confident62 Ų6281.9 Ų81.938%0.3838%0.376SS..SBendtrans-113.6147.917850.40000110.9K1217 W1219 Y1223K1217-T1221 PolarHBondContact O-N 3.36Å; K1217-T1221 PolarHBondContact O-OG1 2.97Å; W1219-T1221 VanDerWaalsContact C-N 3.32Å; T1221-Y1223 PolarHBondContact O-N 3.31Å
1222T51Low70.7Confident145 Ų14582 Ų8289%0.8938%0.377SS*.SBendtrans-68.219.1-175.1-28.20000114.3
1223Y48.8Very low71.1Confident163 Ų16382.1 Ų82.164%0.63938%0.377SS*.  trans-118.885.3-154.6-97.7-64.6000111T1221 W1225T1221-Y1223 PolarHBondContact O-N 3.31Å; Y1223-W1225 PolarHBondContact O-N 3.17Å
1224R51.5Low71.4Confident236 Ų23680.1 Ų80.189%0.89137%0.371SS*.THydrogen-bonded Turntrans-6831.1-173.4-52.1171.178.3171.99.6115.7
1225W53.2Low72Confident180 Ų18077 Ų7768%0.68236%0.36SS*.THydrogen-bonded Turntrans-87.9-25.2-179.756.7-84.4000113.9Y1214 Y1223 D1227Y1214-W1225 HydrophobicContact CE2-CH2 4.41Å; Y1214-W1225 WeakPolarHBondContact OH-CZ3 3.41Å; Y1223-W1225 PolarHBondContact O-N 3.17Å; W1225-D1227 VanDerWaalsContact C-N 3.31Å; W1225-D1227 PolarHBondContact O-N 2.8Å
1226A60.1Low72.8Confident22 Ų2276.7 Ų76.718%0.18236%0.358CS..  trans-80.674.1172.200000111.2Y1214 A1218 S1228Y1214-A1226 HydrophobicContact CE1-CB 3.75Å; A1218-A1226 HydrophobicContact CB-CB 3.52Å; A1226-S1228 PolarHBondContact O-N 3.11Å
1227D75.1Confident73.6Confident34 Ų3478.5 Ų78.518%0.18237%0.369CS..  trans-64.6104.9170.4-96.314.1000109.7W1225 L1229 W1230 M1231 R1359W1225-D1227 VanDerWaalsContact C-N 3.31Å; W1225-D1227 PolarHBondContact O-N 2.8Å; D1227-L1229 PolarHBondContact O-N 2.9Å; D1227-W1230 HydrophobicContact CB-CB 4.05Å; D1227-W1230 HydrophobicContact CB-CG 4.23Å; D1227-W1230 WeakPolarHBondContact O-CA 3.47Å; D1227-W1230 WeakPolarHBondContact O-CB 3.31Å; D1227-W1230 PolarHBondContact O-N 3.12Å; D1227-M1231 PolarHBondContact O-N 2.93Å; D1227-M1231 VanDerWaalsContact O-N 3.12Å; D1227-R1359 IonicContact OD1-CZ 3.31Å; D1227-R1359 IonicContact OD1-NE 2.95Å; D1227-R1359 IonicContact OD1-NH2 2.85Å; D1227-R1359 PolarHBondContact OD1-NH2 3.11Å; D1227-R1359 IonicContact OD2-CZ 2.88Å; D1227-R1359 IonicContact OD2-NE 2.74Å; D1227-R1359 PolarHBondContact OD2-NE 2.86Å; D1227-R1359 IonicContact OD2-NH2 3.71Å; D1227-R1359 PolarHBondContact OD2-NH2 3.04Å
1228S81.6Confident74.6Confident11 Ų1175.6 Ų75.68%0.07736%0.359CS..Hα-helixtrans-46.8-37.5177.4-57.70000113.6A1226 M1231 N1232 E1280A1226-S1228 PolarHBondContact O-N 3.11Å; S1228-M1231 PolarHBondContact O-N 2.9Å; S1228-N1232 WeakPolarHBondContact O-CB 3.3Å; S1228-N1232 PolarHBondContact O-N 3.42Å; S1228-E1280 WeakPolarHBondContact CB-OE1 3.47Å; S1228-E1280 PolarHBondContact OG-OE1 2.76Å
1229L83.1Confident76Confident3 Ų374.5 Ų74.52%0.01635%0.349CS..Hα-helixtrans-67.3-38.4177.3-166.895.1000112.8D1227 N1232 N1233 L1277 L1358 R1359D1227-L1229 PolarHBondContact O-N 2.9Å; L1229-N1232 PolarHBondContact O-N 3Å; L1229-N1233 WeakPolarHBondContact O-CB 3.47Å; L1229-N1233 PolarHBondContact O-N 3.44Å; L1229-N1233 PolarHBondContact O-ND2 3.49Å; L1229-N1233 PolarHBondContact O-OD1 3.47Å; L1229-L1277 HydrophobicContact CB-CD2 4.16Å; L1229-L1277 HydrophobicContact CD1-CD2 4.07Å; L1229-L1358 HydrophobicContact CD1-CB 3.77Å; L1229-L1358 HydrophobicContact CD1-CD1 3.92Å; L1229-L1358 HydrophobicContact CD2-CB 3.81Å; L1229-L1358 HydrophobicContact CG-CB 4.4Å; L1229-R1359 HydrophobicContact CD2-CB 3.62Å; L1229-R1359 HydrophobicContact CD2-CG 4.37Å
1230W83.8Confident77.6Confident144 Ų14466.2 Ų66.255%0.54532%0.32SS..Hα-helixtrans-68.9-41.2175.9-84.2108.2000111.1D1227 N1232 N1233 I1234D1227-W1230 HydrophobicContact CB-CB 4.05Å; D1227-W1230 HydrophobicContact CB-CG 4.23Å; D1227-W1230 WeakPolarHBondContact O-CA 3.47Å; D1227-W1230 WeakPolarHBondContact O-CB 3.31Å; D1227-W1230 PolarHBondContact O-N 3.12Å; W1230-N1232 VanDerWaalsContact C-N 3.33Å; W1230-N1232 PolarHBondContact O-N 3.16Å; W1230-N1233 PolarHBondContact O-N 2.77Å; W1230-I1234 WeakPolarHBondContact O-CB 3.39Å; W1230-I1234 WeakPolarHBondContact O-CD1 3.25Å; W1230-I1234 VanDerWaalsContact O-CG1 3.23Å; W1230-I1234 WeakPolarHBondContact O-CG1 3.45Å; W1230-I1234 PolarHBondContact O-N 2.87Å
1231M85.8Confident79.2Confident37 Ų3765.1 Ų65.118%0.18231%0.309CS..Hα-helixtrans-55.7-48.1171.1-67.7-178.17000111.7Y1214 I1215 D1227 S1228 I1234 S1235 L1273Y1214-M1231 HydrophobicContact CD1-CE 3.4Å; Y1214-M1231 VanDerWaalsContact CD1-CE 3.4Å; Y1214-M1231 HydrophobicContact CD1-SD 3.62Å; Y1214-M1231 HydrophobicContact CE1-CE 3.8Å; Y1214-M1231 HydrophobicContact CE1-CG 4.47Å; Y1214-M1231 HydrophobicContact CE1-SD 3.52Å; Y1214-M1231 VanDerWaalsContact CE1-SD 3.52Å; Y1214-M1231 HydrophobicContact CG-CE 4.34Å; I1215-M1231 HydrophobicContact CG1-CE 4.32Å; I1215-M1231 HydrophobicContact CG1-SD 4.29Å; D1227-M1231 PolarHBondContact O-N 2.93Å; D1227-M1231 VanDerWaalsContact O-N 3.12Å; S1228-M1231 PolarHBondContact O-N 2.9Å; M1231-I1234 PolarHBondContact O-N 2.79Å; M1231-S1235 WeakPolarHBondContact O-CB 3.45Å; M1231-S1235 PolarHBondContact O-N 2.88Å; M1231-S1235 PolarHBondContact O-OG 2.95Å; M1231-L1273 HydrophobicContact CB-CD1 3.71Å
1232N89Confident81.3Confident4 Ų463 Ų632%0.02130%0.295CS..Hα-helixtrans-57.9-51.3178.3177.885.5000111.8S1228 L1229 W1230 S1235 L1236 F1270 L1273 L1277S1228-N1232 WeakPolarHBondContact O-CB 3.3Å; S1228-N1232 PolarHBondContact O-N 3.42Å; L1229-N1232 PolarHBondContact O-N 3Å; W1230-N1232 VanDerWaalsContact C-N 3.33Å; W1230-N1232 PolarHBondContact O-N 3.16Å; N1232-S1235 PolarHBondContact O-N 2.92Å; N1232-S1235 PolarHBondContact O-OG 3.32Å; N1232-L1236 PolarHBondContact O-N 2.84Å; N1232-F1270 WeakPolarHBondContact OD1-CD2 3.43Å; N1232-L1273 HydrophobicContact CB-CD1 3.87Å; N1232-L1277 HydrophobicContact CB-CD1 3.77Å
1233N91Very high83.5Confident6 Ų656 Ų563%0.03225%0.253CS..Hα-helixtrans-65.3-42.9-177.9-65.7-11.4000112L1229 W1230 S1235 L1236 L1237 C1352 G1355 C1356L1229-N1233 WeakPolarHBondContact O-CB 3.47Å; L1229-N1233 PolarHBondContact O-N 3.44Å; L1229-N1233 PolarHBondContact O-ND2 3.49Å; L1229-N1233 PolarHBondContact O-OD1 3.47Å; W1230-N1233 PolarHBondContact O-N 2.77Å; N1233-S1235 VanDerWaalsContact C-N 3.31Å; N1233-S1235 PolarHBondContact O-N 3.42Å; N1233-L1236 PolarHBondContact O-N 3.37Å; N1233-L1237 PolarHBondContact O-N 3.05Å; N1233-C1352 PolarHBondContact O-SG 3.07Å; N1233-G1355 PolarHBondContact ND2-O 2.93Å; N1233-C1356 PolarHBondContact ND2-N 2.9Å
1234I91.4Very high85.7Confident93 Ų9353.3 Ų53.348%0.47724%0.244SC..Hα-helixtrans-60.4-43174.5-68.5165.7000110.4W1230 M1231 L1237 L1238W1230-I1234 WeakPolarHBondContact O-CB 3.39Å; W1230-I1234 WeakPolarHBondContact O-CD1 3.25Å; W1230-I1234 VanDerWaalsContact O-CG1 3.23Å; W1230-I1234 WeakPolarHBondContact O-CG1 3.45Å; W1230-I1234 PolarHBondContact O-N 2.87Å; M1231-I1234 PolarHBondContact O-N 2.79Å; I1234-L1237 PolarHBondContact O-N 2.86Å; I1234-L1238 HydrophobicContact CG2-CD1 3.87Å; I1234-L1238 HydrophobicContact CG2-CG 4.47Å; I1234-L1238 WeakPolarHBondContact O-CG 3.11Å; I1234-L1238 PolarHBondContact O-N 3.38Å
1235S93.2Very high87.8Confident5 Ų544 Ų444%0.03521%0.213CC..Hα-helixtrans-65.1-38.9178.277.40000113.2M1231 N1232 N1233 L1238 T1239M1231-S1235 WeakPolarHBondContact O-CB 3.45Å; M1231-S1235 PolarHBondContact O-N 2.88Å; M1231-S1235 PolarHBondContact O-OG 2.95Å; N1232-S1235 PolarHBondContact O-N 2.92Å; N1232-S1235 PolarHBondContact O-OG 3.32Å; N1233-S1235 VanDerWaalsContact C-N 3.31Å; N1233-S1235 PolarHBondContact O-N 3.42Å; S1235-L1238 PolarHBondContact O-N 3.43Å; S1235-T1239 VanDerWaalsContact O-CB 3.31Å; S1235-T1239 WeakPolarHBondContact O-CB 3.38Å; S1235-T1239 PolarHBondContact O-N 3.06Å; S1235-T1239 PolarHBondContact O-OG1 2.82Å
1236L93.3Very high89.6Confident1 Ų135.4 Ų35.41%0.00518%0.181CC..Hα-helixtrans-64.9-40.7175-78.4169000111.9A1168 N1232 N1233 T1239 S1240 F1270 L1348 C1352A1168-L1236 HydrophobicContact CB-CD2 4.11Å; N1232-L1236 PolarHBondContact O-N 2.84Å; N1233-L1236 PolarHBondContact O-N 3.37Å; L1236-T1239 PolarHBondContact O-N 2.98Å; L1236-S1240 PolarHBondContact O-N 2.95Å; L1236-F1270 HydrophobicContact CD1-CD2 3.98Å; L1236-F1270 HydrophobicContact CD1-CE2 4.38Å; L1236-F1270 HydrophobicContact CD2-CB 4.18Å; L1236-F1270 HydrophobicContact CD2-CD1 4.41Å; L1236-F1270 HydrophobicContact CD2-CD2 3.7Å; L1236-F1270 HydrophobicContact CD2-CE2 4.19Å; L1236-F1270 HydrophobicContact CD2-CG 3.83Å; L1236-F1270 HydrophobicContact CG-CB 4.36Å; L1236-F1270 HydrophobicContact CG-CD2 3.95Å; L1236-F1270 HydrophobicContact CG-CG 4.32Å; L1236-L1348 HydrophobicContact CD2-CD2 4.2Å; L1236-C1352 HydrophobicContact CB-CB 4.13Å
1237L95.2Very high91.1Very high72 Ų7235 Ų3538%0.37718%0.177SC..Hα-helixtrans-64.2-45.7175.8-173.5136.5000111.9N1233 I1234 T1239 S1240 V1241 F1349N1233-L1237 PolarHBondContact O-N 3.05Å; I1234-L1237 PolarHBondContact O-N 2.86Å; L1237-T1239 VanDerWaalsContact C-N 3.33Å; L1237-T1239 PolarHBondContact O-N 2.99Å; L1237-S1240 PolarHBondContact O-N 2.75Å; L1237-V1241 WeakPolarHBondContact O-CG2 3.37Å; L1237-V1241 PolarHBondContact O-N 3.4Å; L1237-F1349 HydrophobicContact CD1-CE2 4.32Å
1238L95.6Very high91.8Very high62 Ų6238.6 Ų38.633%0.32520%0.195SC..Hα-helixtrans-66.7-33.4176.1-66.4170.6000112.5I1234 S1235 T1242 F1266I1234-L1238 HydrophobicContact CG2-CD1 3.87Å; I1234-L1238 HydrophobicContact CG2-CG 4.47Å; I1234-L1238 WeakPolarHBondContact O-CG 3.11Å; I1234-L1238 PolarHBondContact O-N 3.38Å; S1235-L1238 PolarHBondContact O-N 3.43Å; L1238-T1242 WeakPolarHBondContact O-CG2 3.17Å; L1238-T1242 PolarHBondContact O-N 3.27Å; L1238-T1242 PolarHBondContact O-OG1 2.67Å; L1238-F1266 HydrophobicContact CB-CB 4.08Å; L1238-F1266 HydrophobicContact CB-CD1 3.93Å; L1238-F1266 HydrophobicContact CB-CD2 3.65Å; L1238-F1266 HydrophobicContact CB-CE1 4.29Å; L1238-F1266 HydrophobicContact CB-CE2 4.04Å; L1238-F1266 HydrophobicContact CB-CG 3.61Å; L1238-F1266 HydrophobicContact CB-CZ 4.35Å; L1238-F1266 HydrophobicContact CD1-CD1 3.84Å; L1238-F1266 HydrophobicContact CD1-CE1 3.71Å; L1238-F1266 HydrophobicContact CD1-CG 4.4Å; L1238-F1266 HydrophobicContact CD1-CZ 4.15Å
1239T95.6Very high92.1Very high1 Ų139.1 Ų39.11%0.00620%0.198CC..Hα-helixtrans-65.4-44.7172-54.30000111S1235 L1236 L1237 T1242 V1243 F1263 F1266 S1267 L1348S1235-T1239 VanDerWaalsContact O-CB 3.31Å; S1235-T1239 WeakPolarHBondContact O-CB 3.38Å; S1235-T1239 PolarHBondContact O-N 3.06Å; S1235-T1239 PolarHBondContact O-OG1 2.82Å; L1236-T1239 PolarHBondContact O-N 2.98Å; L1237-T1239 VanDerWaalsContact C-N 3.33Å; L1237-T1239 PolarHBondContact O-N 2.99Å; T1239-T1242 WeakPolarHBondContact CA-OG1 3.2Å; T1239-T1242 PolarHBondContact O-N 3.33Å; T1239-T1242 PolarHBondContact O-OG1 3.4Å; T1239-V1243 VanDerWaalsContact O-CG2 3.3Å; T1239-V1243 WeakPolarHBondContact O-CG2 3.5Å; T1239-V1243 PolarHBondContact O-N 3.24Å; T1239-F1263 HydrophobicContact CG2-CD2 3.6Å; T1239-F1263 HydrophobicContact CG2-CE2 3.55Å; T1239-F1266 VanDerWaalsContact OG1-C 3.3Å; T1239-F1266 WeakPolarHBondContact OG1-CB 2.8Å; T1239-S1267 PolarHBondContact OG1-N 2.93Å; T1239-L1348 HydrophobicContact CG2-CD1 4Å; T1239-L1348 HydrophobicContact CG2-CD2 4.34Å
1240S96.6Very high92.2Very high10 Ų1039.7 Ų39.77%0.0720%0.2CC..Hα-helixtrans-60.3-46.3174.31730000112L1236 L1237 V1243 F1244 A1345L1236-S1240 PolarHBondContact O-N 2.95Å; L1237-S1240 PolarHBondContact O-N 2.75Å; S1240-V1243 PolarHBondContact O-N 2.96Å; S1240-F1244 WeakPolarHBondContact O-CB 3.42Å; S1240-F1244 PolarHBondContact O-N 2.94Å; S1240-A1345 PolarHBondContact OG-O 3.12Å
1241V96.9Very high92.1Very high77 Ų7741.4 Ų41.447%0.46721%0.206SC..Hα-helixtrans-62-45.5178.7171.20000111.6L1237 V1243 F1244 V1245L1237-V1241 WeakPolarHBondContact O-CG2 3.37Å; L1237-V1241 PolarHBondContact O-N 3.4Å; V1241-V1243 PolarHBondContact O-N 2.97Å; V1241-F1244 PolarHBondContact O-N 3.18Å; V1241-V1245 HydrophobicContact CG1-CG2 4.48Å; V1241-V1245 VanDerWaalsContact O-CG2 3.3Å; V1241-V1245 WeakPolarHBondContact O-CG2 3.37Å; V1241-V1245 PolarHBondContact O-N 2.93Å; V1241-V1245 VanDerWaalsContact O-N 3.07Å
1242T96Very high92.2Very high16 Ų1647.7 Ų47.710%0.09823%0.229CC..Hα-helixtrans-62.1-43.6177.344.70000111.9L1238 T1239 F1244 V1245 L1246 I1259 F1263 F1266L1238-T1242 WeakPolarHBondContact O-CG2 3.17Å; L1238-T1242 PolarHBondContact O-N 3.27Å; L1238-T1242 PolarHBondContact O-OG1 2.67Å; T1239-T1242 WeakPolarHBondContact CA-OG1 3.2Å; T1239-T1242 PolarHBondContact O-N 3.33Å; T1239-T1242 PolarHBondContact O-OG1 3.4Å; T1242-F1244 PolarHBondContact O-N 3.43Å; T1242-V1245 PolarHBondContact O-N 3.5Å; T1242-L1246 WeakPolarHBondContact O-CG 3.24Å; T1242-L1246 PolarHBondContact O-N 3.03Å; T1242-L1246 VanDerWaalsContact O-N 3.16Å; T1242-I1259 HydrophobicContact CG2-CG2 4.42Å; T1242-I1259 WeakPolarHBondContact O-CG2 3.47Å; T1242-F1263 WeakPolarHBondContact OG1-CA 3.37Å; T1242-F1266 HydrophobicContact CG2-CD2 3.98Å; T1242-F1266 HydrophobicContact CG2-CE2 4.05Å
1243V96Very high92.3Very high0 Ų050.1 Ų50.10%024%0.238CC..Hα-helixtrans-61.9-40.7175.1174.50000112.5P1175 T1239 S1240 V1241 V1245 P1247 F1263 F1341 A1345 L1348P1175-V1243 HydrophobicContact CG-CG1 4.1Å; P1175-V1243 HydrophobicContact CG-CG2 3.83Å; T1239-V1243 VanDerWaalsContact O-CG2 3.3Å; T1239-V1243 WeakPolarHBondContact O-CG2 3.5Å; T1239-V1243 PolarHBondContact O-N 3.24Å; S1240-V1243 PolarHBondContact O-N 2.96Å; V1241-V1243 PolarHBondContact O-N 2.97Å; V1243-V1245 VanDerWaalsContact C-N 3.32Å; V1243-V1245 PolarHBondContact O-N 3.3Å; V1243-P1247 WeakPolarHBondContact O-CD 3.47Å; V1243-F1263 HydrophobicContact CG2-CD2 3.4Å; V1243-F1263 VanDerWaalsContact CG2-CD2 3.4Å; V1243-F1263 HydrophobicContact CG2-CE2 3.47Å; V1243-F1263 VanDerWaalsContact CG2-CE2 3.47Å; V1243-F1263 HydrophobicContact CG2-CG 4.33Å; V1243-F1263 HydrophobicContact CG2-CZ 4.44Å; V1243-F1341 HydrophobicContact CG1-CD1 4.23Å; V1243-F1341 WeakPolarHBondContact CG1-O 3.37Å; V1243-A1345 HydrophobicContact CB-CB 4.28Å; V1243-A1345 HydrophobicContact CG1-CB 3.99Å; V1243-L1348 HydrophobicContact CB-CD1 4.42Å; V1243-L1348 HydrophobicContact CG2-CD1 3.93Å
1244F95.4Very high92.4Very high105 Ų10553.1 Ų53.146%0.46126%0.264SS..Hα-helixtrans-64.8-34.6177.6-175.9-99.3000112.7S1240 V1241 T1242 P1247 I1248 A1345S1240-F1244 WeakPolarHBondContact O-CB 3.42Å; S1240-F1244 PolarHBondContact O-N 2.94Å; V1241-F1244 PolarHBondContact O-N 3.18Å; T1242-F1244 PolarHBondContact O-N 3.43Å; F1244-P1247 WeakPolarHBondContact O-CD 3.47Å; F1244-I1248 HydrophobicContact CD1-CD1 4.25Å; F1244-I1248 HydrophobicContact CE1-CD1 4Å; F1244-A1345 HydrophobicContact CB-CB 3.9Å; F1244-A1345 HydrophobicContact CD2-CB 4.4Å
1245V95Very high92.4Very high40 Ų4050.2 Ų50.224%0.24225%0.253CS..Hα-helixtrans-80.9-26.5-177.8178.60000112.8V1241 T1242 V1243 I1248 V1249 I1259V1241-V1245 HydrophobicContact CG1-CG2 4.48Å; V1241-V1245 VanDerWaalsContact O-CG2 3.3Å; V1241-V1245 WeakPolarHBondContact O-CG2 3.37Å; V1241-V1245 PolarHBondContact O-N 2.93Å; V1241-V1245 VanDerWaalsContact O-N 3.07Å; T1242-V1245 PolarHBondContact O-N 3.5Å; V1243-V1245 VanDerWaalsContact C-N 3.32Å; V1243-V1245 PolarHBondContact O-N 3.3Å; V1245-I1248 WeakPolarHBondContact O-CA 3.25Å; V1245-I1248 VanDerWaalsContact O-CB 3.31Å; V1245-I1248 WeakPolarHBondContact O-CB 3.04Å; V1245-I1248 PolarHBondContact O-N 3.03Å; V1245-V1249 HydrophobicContact CG1-CG1 3.76Å; V1245-V1249 PolarHBondContact O-N 3.25Å; V1245-V1249 VanDerWaalsContact O-N 3.09Å; V1245-I1259 HydrophobicContact CG1-CD1 3.73Å
1246L92.6Very high92.4Very high0 Ų050 Ų500%025%0.252CS..Hα-helixtrans-44.1-55.2177.1-77.1173.3000114.8L1179 L1182 T1242 I1248 V1249 R1250 L1256 I1259 S1260 F1341L1179-L1246 HydrophobicContact CD1-CD1 4.04Å; L1182-L1246 HydrophobicContact CD2-CB 4.49Å; T1242-L1246 WeakPolarHBondContact O-CG 3.24Å; T1242-L1246 PolarHBondContact O-N 3.03Å; T1242-L1246 VanDerWaalsContact O-N 3.16Å; L1246-I1248 PolarHBondContact O-N 2.88Å; L1246-V1249 WeakPolarHBondContact O-CG2 3.37Å; L1246-V1249 PolarHBondContact O-N 3.34Å; L1246-R1250 PolarHBondContact O-N 3.22Å; L1246-L1256 HydrophobicContact CD2-CG 4.08Å; L1246-I1259 HydrophobicContact CD2-CB 4.47Å; L1246-I1259 HydrophobicContact CD2-CG2 3.84Å; L1246-I1259 HydrophobicContact CG-CG2 4.09Å; L1246-S1260 WeakPolarHBondContact CD2-OG 3.29Å; L1246-F1341 HydrophobicContact CB-CD1 4.23Å; L1246-F1341 HydrophobicContact CB-CE1 4.48Å; L1246-F1341 HydrophobicContact CD1-CD1 3.97Å; L1246-F1341 HydrophobicContact CD1-CE1 3.8Å
1247P90.5Very high92.5Very high14 Ų1451.1 Ų51.19%0.09126%0.259CS..Hα-helixtrans-68-19.3179.727.6-36.9000114L1182 V1243 F1244 R1250 F1341L1182-P1247 HydrophobicContact CD1-CB 4.39Å; V1243-P1247 WeakPolarHBondContact O-CD 3.47Å; F1244-P1247 WeakPolarHBondContact O-CD 3.47Å; P1247-R1250 VanDerWaalsContact O-CD 3.3Å; P1247-R1250 WeakPolarHBondContact O-CD 3.13Å; P1247-R1250 WeakPolarHBondContact O-CG 3.17Å; P1247-F1341 HydrophobicContact CG-CB 3.92Å
1248I89.4Confident92.5Very high109 Ų10953.8 Ų53.856%0.55927%0.273SS*.Hα-helixtrans-76.3-43.8176.5-50.7-179.2000109.8F1244 V1245 L1246 R1250F1244-I1248 HydrophobicContact CD1-CD1 4.25Å; F1244-I1248 HydrophobicContact CE1-CD1 4Å; V1245-I1248 WeakPolarHBondContact O-CA 3.25Å; V1245-I1248 VanDerWaalsContact O-CB 3.31Å; V1245-I1248 WeakPolarHBondContact O-CB 3.04Å; V1245-I1248 PolarHBondContact O-N 3.03Å; L1246-I1248 PolarHBondContact O-N 2.88Å; I1248-R1250 PolarHBondContact O-N 2.57Å
1249V89.4Confident92.5Very high23 Ų2352.7 Ų52.714%0.13927%0.267CS..Hα-helixtrans-85.5-1.3-175.7-62.40000114.9V1245 L1246 R1251 Y1252 A1255 L1256 I1259V1245-V1249 HydrophobicContact CG1-CG1 3.76Å; V1245-V1249 PolarHBondContact O-N 3.25Å; V1245-V1249 VanDerWaalsContact O-N 3.09Å; L1246-V1249 WeakPolarHBondContact O-CG2 3.37Å; L1246-V1249 PolarHBondContact O-N 3.34Å; V1249-R1251 PolarHBondContact O-N 3.04Å; V1249-Y1252 PolarHBondContact O-N 3.43Å; V1249-A1255 HydrophobicContact CB-CB 4.22Å; V1249-L1256 HydrophobicContact CG2-CB 4.05Å; V1249-L1256 HydrophobicContact CG2-CG 4.44Å; V1249-I1259 HydrophobicContact CB-CD1 4.19Å; V1249-I1259 HydrophobicContact CG1-CD1 3.69Å; V1249-I1259 HydrophobicContact CG2-CD1 3.7Å
1250R84.6Confident92.5Very high15 Ų1552.7 Ų52.76%0.05727%0.267CS..THydrogen-bonded Turntrans-54.8-13.1-175.273.6-174.5-176.6130.33.4117L1182 E1185 M1186 L1246 P1247 I1248 L1256 A1333 H1334 N1335L1182-R1250 HydrophobicContact CD1-CB 4.19Å; L1182-R1250 HydrophobicContact CG-CB 4.38Å; E1185-R1250 IonicContact OE2-NH1 3.63Å; M1186-R1250 HydrophobicContact CG-CB 4.32Å; M1186-R1250 HydrophobicContact CG-CG 4.08Å; M1186-R1250 HydrophobicContact SD-CG 4.06Å; L1246-R1250 PolarHBondContact O-N 3.22Å; P1247-R1250 VanDerWaalsContact O-CD 3.3Å; P1247-R1250 WeakPolarHBondContact O-CD 3.13Å; P1247-R1250 WeakPolarHBondContact O-CG 3.17Å; I1248-R1250 PolarHBondContact O-N 2.57Å; R1250-L1256 HydrophobicContact CB-CD1 4.02Å; R1250-A1333 PolarHBondContact NH2-O 3.17Å; R1250-H1334 PolarHBondContact NH1-O 2.9Å; R1250-H1334 PolarHBondContact NH2-O 3.08Å; R1250-N1335 PolarHBondContact NH2-OD1 3.23Å
1251R81.2Confident92.4Very high179 Ų17954.3 Ų54.368%0.67528%0.277SS*.THydrogen-bonded Turntrans-76.2-21170.8-69.6-175.6172.3-171-3.1113.9M1186 V1249M1186-R1251 HydrophobicContact CE-CG 4.04Å; V1249-R1251 PolarHBondContact O-N 3.04Å
1252Y89Confident92.4Very high169 Ų16951.4 Ų51.466%0.66326%0.263SS*.  trans-121.595.4-172.7-58.7-73.9000110.6V1249 A1254 A1255 L1256V1249-Y1252 PolarHBondContact O-N 3.43Å; Y1252-A1254 VanDerWaalsContact C-N 3.33Å; Y1252-A1254 PolarHBondContact O-N 3.33Å; Y1252-A1255 PolarHBondContact O-N 2.84Å; Y1252-L1256 PolarHBondContact O-N 3.25Å
1253Y90.1Very high92.3Very high55 Ų5550.6 Ų50.622%0.21626%0.258CS..Hα-helixtrans-50.2-47.6-175.1-175.7-106.5000113.6W1188 D1192 F1195 I1196 A1255 L1256 V1257W1188-Y1253 HydrophobicContact CD2-CD2 4.21Å; W1188-Y1253 HydrophobicContact CE3-CD2 4.15Å; W1188-Y1253 HydrophobicContact CH2-CD2 4.45Å; W1188-Y1253 HydrophobicContact CH2-CG 4.25Å; W1188-Y1253 HydrophobicContact CZ2-CD2 4.48Å; W1188-Y1253 HydrophobicContact CZ3-CD2 4.26Å; W1188-Y1253 HydrophobicContact CZ3-CG 4.28Å; D1192-Y1253 HydrophobicContact CB-CE2 3.83Å; D1192-Y1253 PolarHBondContact O-OH 2.89Å; F1195-Y1253 WeakPolarHBondContact CD1-OH 3.31Å; I1196-Y1253 HydrophobicContact CD1-CD2 3.98Å; I1196-Y1253 HydrophobicContact CD1-CE2 3.41Å; I1196-Y1253 VanDerWaalsContact CD1-CE2 3.41Å; I1196-Y1253 HydrophobicContact CG1-CE2 3.88Å; Y1253-A1255 PolarHBondContact O-N 3.04Å; Y1253-L1256 PolarHBondContact O-N 3.43Å; Y1253-V1257 HydrophobicContact CD1-CG2 4.17Å; Y1253-V1257 HydrophobicContact CE1-CG2 3.87Å; Y1253-V1257 HydrophobicContact CE2-CG2 4.35Å; Y1253-V1257 WeakPolarHBondContact O-CG2 3.43Å; Y1253-V1257 PolarHBondContact O-N 2.9Å
1254A92.3Very high92.3Very high70 Ų7050.6 Ų50.658%0.57926%0.258SS*.Hα-helixtrans-62.1-38.4179.100000113.4Y1252 L1258Y1252-A1254 VanDerWaalsContact C-N 3.33Å; Y1252-A1254 PolarHBondContact O-N 3.33Å; A1254-L1258 WeakPolarHBondContact O-CG 3.3Å; A1254-L1258 PolarHBondContact O-N 3.04Å; A1254-L1258 VanDerWaalsContact O-N 3.13Å
1255A92.8Very high92.2Very high31 Ų3148.9 Ų48.926%0.25625%0.253SS..Hα-helixtrans-68.9-39176.200000111.3V1249 Y1252 Y1253 L1258 I1259V1249-A1255 HydrophobicContact CB-CB 4.22Å; Y1252-A1255 PolarHBondContact O-N 2.84Å; Y1253-A1255 PolarHBondContact O-N 3.04Å; A1255-L1258 PolarHBondContact O-N 2.88Å; A1255-I1259 WeakPolarHBondContact O-CB 3.4Å; A1255-I1259 WeakPolarHBondContact O-CD1 3.49Å; A1255-I1259 WeakPolarHBondContact O-CG1 3.45Å; A1255-I1259 PolarHBondContact O-N 3.16Å
1256L92.5Very high92.2Very high1 Ų149.7 Ų49.71%0.00525%0.254CS..Hα-helixtrans-67.6-41.4176.5-170.3148.8000111.5L1182 L1183 I1196 L1246 V1249 R1250 Y1252 Y1253 L1258 I1259 S1260L1182-L1256 HydrophobicContact CD2-CD1 4.22Å; L1183-L1256 HydrophobicContact CD2-CD1 4.37Å; L1183-L1256 HydrophobicContact CD2-CD2 4.16Å; I1196-L1256 HydrophobicContact CB-CD2 4.47Å; I1196-L1256 HydrophobicContact CD1-CD2 3.48Å; I1196-L1256 VanDerWaalsContact CD1-CD2 3.48Å; I1196-L1256 HydrophobicContact CG1-CD2 4.08Å; I1196-L1256 HydrophobicContact CG2-CD2 3.67Å; L1246-L1256 HydrophobicContact CD2-CG 4.08Å; V1249-L1256 HydrophobicContact CG2-CB 4.05Å; V1249-L1256 HydrophobicContact CG2-CG 4.44Å; R1250-L1256 HydrophobicContact CB-CD1 4.02Å; Y1252-L1256 PolarHBondContact O-N 3.25Å; Y1253-L1256 PolarHBondContact O-N 3.43Å; L1256-L1258 VanDerWaalsContact C-N 3.32Å; L1256-L1258 PolarHBondContact O-N 2.8Å; L1256-I1259 PolarHBondContact O-N 3.26Å; L1256-S1260 VanDerWaalsContact O-CB 3.26Å; L1256-S1260 WeakPolarHBondContact O-CB 3.44Å; L1256-S1260 PolarHBondContact O-N 2.96Å; L1256-S1260 PolarHBondContact O-OG 2.96Å
1257V95.2Very high92.2Very high25 Ų2549.7 Ų49.715%0.15225%0.254CS..Hα-helixtrans-55.6-45.2171.5168.40000111.8F1195 I1196 S1199 Y1253 C1261F1195-V1257 HydrophobicContact CD1-CG2 4.13Å; F1195-V1257 HydrophobicContact CE1-CG1 3.99Å; F1195-V1257 HydrophobicContact CE1-CG2 4.08Å; I1196-V1257 HydrophobicContact CG1-CG2 3.73Å; S1199-V1257 PolarHBondContact OG-O 3.05Å; S1199-V1257 VanDerWaalsContact OG-O 3.07Å; Y1253-V1257 HydrophobicContact CD1-CG2 4.17Å; Y1253-V1257 HydrophobicContact CE1-CG2 3.87Å; Y1253-V1257 HydrophobicContact CE2-CG2 4.35Å; Y1253-V1257 WeakPolarHBondContact O-CG2 3.43Å; Y1253-V1257 PolarHBondContact O-N 2.9Å; V1257-C1261 WeakPolarHBondContact O-CB 3.38Å; V1257-C1261 PolarHBondContact O-N 3.36Å
1258L95.5Very high92.3Very high128 Ų12849 Ų4967%0.6725%0.25SC*.Hα-helixtrans-65.9-45.5178.9-74.2168.9000112.2A1254 A1255 L1256 C1261 G1262A1254-L1258 WeakPolarHBondContact O-CG 3.3Å; A1254-L1258 PolarHBondContact O-N 3.04Å; A1254-L1258 VanDerWaalsContact O-N 3.13Å; A1255-L1258 PolarHBondContact O-N 2.88Å; L1256-L1258 VanDerWaalsContact C-N 3.32Å; L1256-L1258 PolarHBondContact O-N 2.8Å; L1258-C1261 WeakPolarHBondContact O-CB 3.45Å; L1258-C1261 PolarHBondContact O-N 3.12Å; L1258-G1262 PolarHBondContact O-N 3.36Å
1259I95.9Very high92.3Very high39 Ų3944.8 Ų44.820%0.223%0.229CC..Hα-helixtrans-70.9-33-179.6-73.3157.3000111.5T1242 V1245 L1246 V1249 A1255 L1256 G1262 F1263T1242-I1259 HydrophobicContact CG2-CG2 4.42Å; T1242-I1259 WeakPolarHBondContact O-CG2 3.47Å; V1245-I1259 HydrophobicContact CG1-CD1 3.73Å; L1246-I1259 HydrophobicContact CD2-CB 4.47Å; L1246-I1259 HydrophobicContact CD2-CG2 3.84Å; L1246-I1259 HydrophobicContact CG-CG2 4.09Å; V1249-I1259 HydrophobicContact CB-CD1 4.19Å; V1249-I1259 HydrophobicContact CG1-CD1 3.69Å; V1249-I1259 HydrophobicContact CG2-CD1 3.7Å; A1255-I1259 WeakPolarHBondContact O-CB 3.4Å; A1255-I1259 WeakPolarHBondContact O-CD1 3.49Å; A1255-I1259 WeakPolarHBondContact O-CG1 3.45Å; A1255-I1259 PolarHBondContact O-N 3.16Å; L1256-I1259 PolarHBondContact O-N 3.26Å; I1259-G1262 PolarHBondContact O-N 3.48Å; I1259-F1263 PolarHBondContact O-N 2.89Å
1260S95.2Very high92.2Very high0 Ų043.9 Ų43.90%022%0.223CC..Hα-helixtrans-65.4-40.3169.6-68.50000112.5I1196 I1200 L1246 L1256 G1262 F1263 G1264I1196-S1260 VanDerWaalsContact CG2-CB 3.46Å; I1196-S1260 WeakPolarHBondContact CG2-OG 3.41Å; I1200-S1260 WeakPolarHBondContact CG1-O 3.43Å; L1246-S1260 WeakPolarHBondContact CD2-OG 3.29Å; L1256-S1260 VanDerWaalsContact O-CB 3.26Å; L1256-S1260 WeakPolarHBondContact O-CB 3.44Å; L1256-S1260 PolarHBondContact O-N 2.96Å; L1256-S1260 PolarHBondContact O-OG 2.96Å; S1260-G1262 VanDerWaalsContact C-N 3.34Å; S1260-F1263 PolarHBondContact O-N 2.97Å; S1260-G1264 PolarHBondContact O-N 3.09Å
1261C95.8Very high92.2Very high44 Ų4444.1 Ų44.130%0.29723%0.226SC..Hα-helixtrans-61.9-42.4171.5-171.70000111.4V1257 L1258 G1264 L1265V1257-C1261 WeakPolarHBondContact O-CB 3.38Å; V1257-C1261 PolarHBondContact O-N 3.36Å; L1258-C1261 WeakPolarHBondContact O-CB 3.45Å; L1258-C1261 PolarHBondContact O-N 3.12Å; C1261-G1264 PolarHBondContact O-N 2.92Å; C1261-L1265 WeakPolarHBondContact O-CB 3.35Å; C1261-L1265 PolarHBondContact O-N 3.18Å
1262G95Very high92.4Very high16 Ų1635.8 Ų35.817%0.16520%0.195CC..Hα-helixtrans-59.7-46.5172.900000113.3L1258 I1259 S1260 G1264 L1265 F1266L1258-G1262 PolarHBondContact O-N 3.36Å; I1259-G1262 PolarHBondContact O-N 3.48Å; S1260-G1262 VanDerWaalsContact C-N 3.34Å; G1262-G1264 VanDerWaalsContact C-N 3.29Å; G1262-G1264 PolarHBondContact O-N 3.11Å; G1262-L1265 PolarHBondContact O-N 3.03Å; G1262-L1265 VanDerWaalsContact O-N 3.15Å; G1262-F1266 WeakPolarHBondContact O-CD2 3.48Å; G1262-F1266 WeakPolarHBondContact O-CG 3.29Å; G1262-F1266 PolarHBondContact O-N 3.01Å
1263F95.6Very high92.1Very high0 Ų027.8 Ų27.80%016%0.164CC..Hα-helixtrans-56.1-44172.6166.3-108.1000111.5P1175 F1176 I1200 T1239 T1242 V1243 I1259 S1260 S1267P1175-F1263 HydrophobicContact CB-CE1 3.95Å; P1175-F1263 HydrophobicContact CB-CZ 3.91Å; P1175-F1263 HydrophobicContact CG-CE1 4.38Å; P1175-F1263 HydrophobicContact CG-CE2 4.14Å; P1175-F1263 HydrophobicContact CG-CZ 3.83Å; F1176-F1263 HydrophobicContact CD2-CE1 4.25Å; F1176-F1263 HydrophobicContact CD2-CZ 4.37Å; F1176-F1263 HydrophobicContact CE1-CE1 4.46Å; F1176-F1263 AromaticContact CE2-CE1 3.71Å; F1176-F1263 HydrophobicContact CE2-CE1 3.71Å; F1176-F1263 AromaticContact CE2-CZ 3.81Å; F1176-F1263 HydrophobicContact CE2-CZ 3.81Å; F1176-F1263 AromaticContact CZ-CE1 3.83Å; F1176-F1263 HydrophobicContact CZ-CE1 3.83Å; F1176-F1263 HydrophobicContact CZ-CZ 4.33Å; I1200-F1263 HydrophobicContact CD1-CD1 4.04Å; I1200-F1263 HydrophobicContact CD1-CE1 4.28Å; I1200-F1263 HydrophobicContact CG1-CD1 4.18Å; I1200-F1263 HydrophobicContact CG2-CD1 3.71Å; I1200-F1263 HydrophobicContact CG2-CE1 3.91Å; T1239-F1263 HydrophobicContact CG2-CD2 3.6Å; T1239-F1263 HydrophobicContact CG2-CE2 3.55Å; T1242-F1263 WeakPolarHBondContact OG1-CA 3.37Å; V1243-F1263 HydrophobicContact CG2-CD2 3.4Å; V1243-F1263 VanDerWaalsContact CG2-CD2 3.4Å; V1243-F1263 HydrophobicContact CG2-CE2 3.47Å; V1243-F1263 VanDerWaalsContact CG2-CE2 3.47Å; V1243-F1263 HydrophobicContact CG2-CG 4.33Å; V1243-F1263 HydrophobicContact CG2-CZ 4.44Å; I1259-F1263 PolarHBondContact O-N 2.89Å; S1260-F1263 PolarHBondContact O-N 2.97Å; F1263-S1267 WeakPolarHBondContact O-CB 3.37Å; F1263-S1267 PolarHBondContact O-N 3.38Å; F1263-S1267 PolarHBondContact O-OG 2.86Å
1264G94.6Very high91.8Very high0 Ų025.7 Ų25.70%016%0.156CC..Hα-helixtrans-57.1-51.3172.700000112.4I1200 N1204 S1260 C1261 G1262 S1267 A1268I1200-G1264 WeakPolarHBondContact O-CA 3.43Å; N1204-G1264 VanDerWaalsContact CA-O 3.22Å; N1204-G1264 WeakPolarHBondContact CA-O 3.4Å; N1204-G1264 PolarHBondContact ND2-O 3.01Å; S1260-G1264 PolarHBondContact O-N 3.09Å; C1261-G1264 PolarHBondContact O-N 2.92Å; G1262-G1264 VanDerWaalsContact C-N 3.29Å; G1262-G1264 PolarHBondContact O-N 3.11Å; G1264-S1267 PolarHBondContact O-OG 3.28Å; G1264-S1267 VanDerWaalsContact O-OG 3.08Å; G1264-A1268 WeakPolarHBondContact O-CB 3.48Å; G1264-A1268 PolarHBondContact O-N 3.19Å; G1264-A1268 VanDerWaalsContact O-N 3.14Å
1265L94.7Very high91.1Very high68 Ų6823.6 Ų23.636%0.35614%0.137SC..Hα-helixtrans-64.2-40.2-176.2-172.4150.4000113.2G1203 C1261 G1262G1203-L1265 VanDerWaalsContact O-CA 3.26Å; G1203-L1265 WeakPolarHBondContact O-CA 3.42Å; C1261-L1265 WeakPolarHBondContact O-CB 3.35Å; C1261-L1265 PolarHBondContact O-N 3.18Å; G1262-L1265 PolarHBondContact O-N 3.03Å; G1262-L1265 VanDerWaalsContact O-N 3.15Å
1266F93.7Very high90.5Very high57 Ų5723.8 Ų23.825%0.2513%0.134CC..Hα-helixtrans-79.5-39.9178.4-56.9-51.2000112.7L1238 T1239 T1242 G1262 A1268 V1269L1238-F1266 HydrophobicContact CB-CB 4.08Å; L1238-F1266 HydrophobicContact CB-CD1 3.93Å; L1238-F1266 HydrophobicContact CB-CD2 3.65Å; L1238-F1266 HydrophobicContact CB-CE1 4.29Å; L1238-F1266 HydrophobicContact CB-CE2 4.04Å; L1238-F1266 HydrophobicContact CB-CG 3.61Å; L1238-F1266 HydrophobicContact CB-CZ 4.35Å; L1238-F1266 HydrophobicContact CD1-CD1 3.84Å; L1238-F1266 HydrophobicContact CD1-CE1 3.71Å; L1238-F1266 HydrophobicContact CD1-CG 4.4Å; L1238-F1266 HydrophobicContact CD1-CZ 4.15Å; T1239-F1266 VanDerWaalsContact OG1-C 3.3Å; T1239-F1266 WeakPolarHBondContact OG1-CB 2.8Å; T1242-F1266 HydrophobicContact CG2-CD2 3.98Å; T1242-F1266 HydrophobicContact CG2-CE2 4.05Å; G1262-F1266 WeakPolarHBondContact O-CD2 3.48Å; G1262-F1266 WeakPolarHBondContact O-CG 3.29Å; G1262-F1266 PolarHBondContact O-N 3.01Å; F1266-A1268 PolarHBondContact O-N 3.44Å; F1266-V1269 PolarHBondContact O-N 3.48Å
1267S93Very high90.1Very high1 Ų123.8 Ų23.81%0.00713%0.133CC..Hα-helixtrans-64.4-28.8178.4590000113.1N1204 T1239 F1263 G1264 V1269 V1271N1204-S1267 PolarHBondContact ND2-OG 3.42Å; N1204-S1267 VanDerWaalsContact ND2-OG 3.11Å; T1239-S1267 PolarHBondContact OG1-N 2.93Å; F1263-S1267 WeakPolarHBondContact O-CB 3.37Å; F1263-S1267 PolarHBondContact O-N 3.38Å; F1263-S1267 PolarHBondContact O-OG 2.86Å; G1264-S1267 PolarHBondContact O-OG 3.28Å; G1264-S1267 VanDerWaalsContact O-OG 3.08Å; S1267-V1269 VanDerWaalsContact C-N 3.31Å; S1267-V1269 PolarHBondContact O-N 3.23Å; S1267-V1271 WeakPolarHBondContact O-CG2 3.29Å; S1267-V1271 PolarHBondContact O-N 3.47Å
1268A91.9Very high89.5Confident0 Ų022.6 Ų22.60%013%0.126CC..Hα-helixtrans-54.5-44.5173.400000113.5N1204 R1208 G1264 F1266 V1271 S1272N1204-A1268 HydrophobicContact CB-CB 4.48Å; N1204-A1268 WeakPolarHBondContact ND2-CA 3.48Å; N1204-A1268 PolarHBondContact ND2-N 2.93Å; N1204-A1268 WeakPolarHBondContact O-CB 3.37Å; R1208-A1268 HydrophobicContact CG-CB 3.67Å; G1264-A1268 WeakPolarHBondContact O-CB 3.48Å; G1264-A1268 PolarHBondContact O-N 3.19Å; G1264-A1268 VanDerWaalsContact O-N 3.14Å; F1266-A1268 PolarHBondContact O-N 3.44Å; A1268-V1271 PolarHBondContact O-N 2.81Å; A1268-S1272 PolarHBondContact O-N 3.21Å; A1268-S1272 PolarHBondContact O-OG 3.22Å
1269V89.3Confident88.6Confident19 Ų1918.8 Ų18.812%0.11511%0.108CC..Hα-helixtrans-64.2-43.1-174.1-176.40000110.9A1211 F1266 S1267 S1272 L1273A1211-V1269 HydrophobicContact CB-CG1 4.38Å; A1211-V1269 HydrophobicContact CB-CG2 4.22Å; F1266-V1269 PolarHBondContact O-N 3.48Å; S1267-V1269 VanDerWaalsContact C-N 3.31Å; S1267-V1269 PolarHBondContact O-N 3.23Å; V1269-S1272 PolarHBondContact O-OG 2.96Å; V1269-L1273 HydrophobicContact CG1-CD1 3.59Å; V1269-L1273 HydrophobicContact CG1-CG 4.42Å; V1269-L1273 VanDerWaalsContact O-CB 3.28Å; V1269-L1273 WeakPolarHBondContact O-CB 3.35Å; V1269-L1273 WeakPolarHBondContact O-CG 3.5Å; V1269-L1273 PolarHBondContact O-N 3.44Å
1270F88.4Confident87.8Confident4 Ų420.5 Ų20.52%0.01812%0.115CC..Hα-helixtrans-59.9-43.6172.6162.8-105000112.4A1168 M1169 L1172 N1232 L1236 K1274A1168-F1270 HydrophobicContact CB-CE1 3.89Å; A1168-F1270 HydrophobicContact CB-CE2 3.82Å; A1168-F1270 HydrophobicContact CB-CZ 3.36Å; M1169-F1270 HydrophobicContact SD-CE1 3.99Å; M1169-F1270 HydrophobicContact SD-CZ 4.48Å; L1172-F1270 HydrophobicContact CD1-CD1 3.67Å; L1172-F1270 HydrophobicContact CD1-CE1 3.92Å; N1232-F1270 WeakPolarHBondContact OD1-CD2 3.43Å; L1236-F1270 HydrophobicContact CD1-CD2 3.98Å; L1236-F1270 HydrophobicContact CD1-CE2 4.38Å; L1236-F1270 HydrophobicContact CD2-CB 4.18Å; L1236-F1270 HydrophobicContact CD2-CD1 4.41Å; L1236-F1270 HydrophobicContact CD2-CD2 3.7Å; L1236-F1270 HydrophobicContact CD2-CE2 4.19Å; L1236-F1270 HydrophobicContact CD2-CG 3.83Å; L1236-F1270 HydrophobicContact CG-CB 4.36Å; L1236-F1270 HydrophobicContact CG-CD2 3.95Å; L1236-F1270 HydrophobicContact CG-CG 4.32Å; F1270-K1274 PolarHBondContact O-N 2.88Å
1271V85.1Confident87Confident21 Ų2121.6 Ų21.613%0.12712%0.121CC..Hα-helixtrans-70.7-38.4-177.2-179.80000111.8S1267 A1268 K1274S1267-V1271 WeakPolarHBondContact O-CG2 3.29Å; S1267-V1271 PolarHBondContact O-N 3.47Å; A1268-V1271 PolarHBondContact O-N 2.81Å; V1271-K1274 WeakPolarHBondContact O-CB 3.48Å
1272S84.8Confident86.2Confident4 Ų421.4 Ų21.43%0.02812%0.117CC..Hα-helixtrans-75.2-38.2178.157.10000113.5A1268 V1269 K1274A1268-S1272 PolarHBondContact O-N 3.21Å; A1268-S1272 PolarHBondContact O-OG 3.22Å; V1269-S1272 PolarHBondContact O-OG 2.96Å; S1272-K1274 VanDerWaalsContact C-N 3.26Å; S1272-K1274 PolarHBondContact O-N 2.9Å
1273L83.3Confident85Confident0 Ų021.9 Ų21.90%012%0.122CC..Hα-helixtrans-68.9-21.6177.9-78.3167.7000113.8I1215 M1231 N1232 V1269 S1275 I1276 L1277I1215-L1273 HydrophobicContact CD1-CD2 3.43Å; I1215-L1273 VanDerWaalsContact CD1-CD2 3.43Å; I1215-L1273 HydrophobicContact CD1-CG 4.07Å; I1215-L1273 HydrophobicContact CG1-CD2 4.18Å; M1231-L1273 HydrophobicContact CB-CD1 3.71Å; N1232-L1273 HydrophobicContact CB-CD1 3.87Å; V1269-L1273 HydrophobicContact CG1-CD1 3.59Å; V1269-L1273 HydrophobicContact CG1-CG 4.42Å; V1269-L1273 VanDerWaalsContact O-CB 3.28Å; V1269-L1273 WeakPolarHBondContact O-CB 3.35Å; V1269-L1273 WeakPolarHBondContact O-CG 3.5Å; V1269-L1273 PolarHBondContact O-N 3.44Å; L1273-S1275 PolarHBondContact O-N 3.5Å; L1273-I1276 PolarHBondContact O-N 3.35Å; L1273-I1276 VanDerWaalsContact O-N 3.09Å; L1273-L1277 HydrophobicContact CB-CD1 4.34Å; L1273-L1277 HydrophobicContact CB-CG 4.49Å; L1273-L1277 WeakPolarHBondContact O-CG 3.47Å; L1273-L1277 PolarHBondContact O-N 3.47Å
1274K83.4Confident83.8Confident11 Ų1126.6 Ų26.65%0.04815%0.146CC..Hα-helixtrans-50.6-48.2-174.1-174-178.6-65.3-173.50113.9F1270 V1271 S1272 V1278 F1291 L1294 Q1298F1270-K1274 PolarHBondContact O-N 2.88Å; V1271-K1274 WeakPolarHBondContact O-CB 3.48Å; S1272-K1274 VanDerWaalsContact C-N 3.26Å; S1272-K1274 PolarHBondContact O-N 2.9Å; K1274-V1278 WeakPolarHBondContact O-CG2 3.24Å; K1274-V1278 PolarHBondContact O-N 3.34Å; K1274-F1291 HydrophobicContact CD-CE2 4.37Å; K1274-F1291 HydrophobicContact CG-CE2 4.34Å; K1274-L1294 HydrophobicContact CD-CD2 3.66Å; K1274-L1294 HydrophobicContact CG-CD2 3.71Å; K1274-Q1298 VanDerWaalsContact CE-NE2 3.35Å
1275S78.4Confident82.4Confident27 Ų2733.8 Ų33.819%0.18918%0.184CC..Hα-helixtrans-72.1-35.3-179.851.90000112.6L1273 V1278 V1279L1273-S1275 PolarHBondContact O-N 3.5Å; S1275-V1278 PolarHBondContact O-N 2.66Å; S1275-V1279 PolarHBondContact O-N 2.74Å
1276I79.2Confident81.3Confident35 Ų3536.3 Ų36.318%0.17919%0.189CC..Hα-helixtrans-67.8-43.2178.9-59.3168.7000110.1P328 I1215 L1273 V1278 V1279 E1280P328-I1276 HydrophobicContact CB-CD1 4.31Å; I1215-I1276 HydrophobicContact CD1-CD1 4.04Å; I1215-I1276 HydrophobicContact CG2-CD1 4.19Å; L1273-I1276 PolarHBondContact O-N 3.35Å; L1273-I1276 VanDerWaalsContact O-N 3.09Å; I1276-V1278 VanDerWaalsContact C-N 3.31Å; I1276-V1278 PolarHBondContact O-N 3.37Å; I1276-V1279 WeakPolarHBondContact O-CB 3.49Å; I1276-V1279 PolarHBondContact O-N 3.38Å; I1276-V1279 VanDerWaalsContact O-N 3.11Å; I1276-E1280 PolarHBondContact O-N 2.8Å
1277L84.8Confident80.2Confident0 Ų034.7 Ų34.70%018%0.183CC..Hα-helixtrans-63.7-32.2175.4-71.8176.5000113.4F1161 L1229 N1232 L1273 L1281F1161-L1277 HydrophobicContact CE1-CB 4.32Å; F1161-L1277 HydrophobicContact CE2-CB 4.07Å; F1161-L1277 HydrophobicContact CE2-CD1 3.95Å; F1161-L1277 HydrophobicContact CZ-CB 3.62Å; F1161-L1277 HydrophobicContact CZ-CD1 4.24Å; L1229-L1277 HydrophobicContact CB-CD2 4.16Å; L1229-L1277 HydrophobicContact CD1-CD2 4.07Å; N1232-L1277 HydrophobicContact CB-CD1 3.77Å; L1273-L1277 HydrophobicContact CB-CD1 4.34Å; L1273-L1277 HydrophobicContact CB-CG 4.49Å; L1273-L1277 WeakPolarHBondContact O-CG 3.47Å; L1273-L1277 PolarHBondContact O-N 3.47Å; L1277-L1281 VanDerWaalsContact O-CB 3.28Å; L1277-L1281 WeakPolarHBondContact O-CB 3.45Å; L1277-L1281 VanDerWaalsContact O-CG 3.25Å; L1277-L1281 WeakPolarHBondContact O-CG 3.3Å; L1277-L1281 PolarHBondContact O-N 2.86Å
1278V82.7Confident79.2Confident0 Ų037.4 Ų37.40%020%0.2CC..Hα-helixtrans-62.8-44.5171.4174.80000110.5F1161 K1274 S1275 I1276 I1282 L1287 A1290 F1291 L1294F1161-V1278 HydrophobicContact CE1-CG2 3.8Å; K1274-V1278 WeakPolarHBondContact O-CG2 3.24Å; K1274-V1278 PolarHBondContact O-N 3.34Å; S1275-V1278 PolarHBondContact O-N 2.66Å; I1276-V1278 VanDerWaalsContact C-N 3.31Å; I1276-V1278 PolarHBondContact O-N 3.37Å; V1278-I1282 HydrophobicContact CG1-CD1 4.25Å; V1278-I1282 WeakPolarHBondContact O-CB 3.46Å; V1278-I1282 PolarHBondContact O-N 3.47Å; V1278-L1287 HydrophobicContact CB-CD1 3.87Å; V1278-L1287 HydrophobicContact CG1-CD1 3.51Å; V1278-A1290 HydrophobicContact CG1-CB 3.56Å; V1278-F1291 HydrophobicContact CG2-CD2 4.35Å; V1278-L1294 HydrophobicContact CG2-CD1 4.3Å
1279V75.8Confident78.4Confident48 Ų4839.4 Ų39.429%0.29121%0.211SC..Hα-helixtrans-63.2-47.5176.4-178.90000111.1S1275 I1276 L1281 G1283 L1287S1275-V1279 PolarHBondContact O-N 2.74Å; I1276-V1279 WeakPolarHBondContact O-CB 3.49Å; I1276-V1279 PolarHBondContact O-N 3.38Å; I1276-V1279 VanDerWaalsContact O-N 3.11Å; V1279-L1281 PolarHBondContact O-N 2.79Å; V1279-G1283 WeakPolarHBondContact O-CA 3.34Å; V1279-G1283 PolarHBondContact O-N 2.98Å; V1279-L1287 HydrophobicContact CG2-CD1 3.66Å; V1279-L1287 HydrophobicContact CG2-CD2 3.82Å; V1279-L1287 HydrophobicContact CG2-CG 4.24Å
1280E79.3Confident78Confident76 Ų7638.5 Ų38.536%0.35521%0.205SC..Hα-helixtrans-62.6-37.5-179.8-80.5-172.1-144.200114.1S1228 I1276 R1359S1228-E1280 WeakPolarHBondContact CB-OE1 3.47Å; S1228-E1280 PolarHBondContact OG-OE1 2.76Å; I1276-E1280 PolarHBondContact O-N 2.8Å; E1280-R1359 IonicContact OE2-NH1 2.67Å; E1280-R1359 PolarHBondContact OE2-NH1 2.97Å
1281L78.5Confident77.6Confident23 Ų2339.7 Ų39.712%0.1221%0.21CC..Hα-helixtrans-88.8-20.8-172.9-67.9172.8000113.9T1157 F1161 L1277 V1279T1157-L1281 HydrophobicContact CG2-CD2 4.19Å; F1161-L1281 HydrophobicContact CB-CD1 4.18Å; F1161-L1281 HydrophobicContact CD1-CD1 3.89Å; F1161-L1281 HydrophobicContact CD2-CD1 4.17Å; F1161-L1281 HydrophobicContact CE1-CD1 4.29Å; F1161-L1281 HydrophobicContact CG-CD1 3.83Å; L1277-L1281 VanDerWaalsContact O-CB 3.28Å; L1277-L1281 WeakPolarHBondContact O-CB 3.45Å; L1277-L1281 VanDerWaalsContact O-CG 3.25Å; L1277-L1281 WeakPolarHBondContact O-CG 3.3Å; L1277-L1281 PolarHBondContact O-N 2.86Å; V1279-L1281 PolarHBondContact O-N 2.79Å
1282I78.4Confident77.5Confident39 Ų3938.8 Ų38.820%0.221%0.205CC..Hα-helixtrans-130.4-24.3-167.4-52.8176.9000112.9L1152 F1158 V1278 R1286 A1290L1152-I1282 HydrophobicContact CD1-CG2 4Å; F1158-I1282 HydrophobicContact CD2-CD1 3.43Å; F1158-I1282 VanDerWaalsContact CD2-CD1 3.43Å; F1158-I1282 HydrophobicContact CE2-CD1 3.78Å; F1158-I1282 HydrophobicContact CG-CD1 4.08Å; V1278-I1282 HydrophobicContact CG1-CD1 4.25Å; V1278-I1282 WeakPolarHBondContact O-CB 3.46Å; V1278-I1282 PolarHBondContact O-N 3.47Å; I1282-R1286 HydrophobicContact CG2-CB 4.1Å; I1282-A1290 HydrophobicContact CD1-CB 3.55Å
1283G70.1Confident77.5Confident27 Ų2739.4 Ų39.428%0.27821%0.207SC..  trans92.1163.4-170.200000112.9V1279V1279-G1283 WeakPolarHBondContact O-CA 3.34Å; V1279-G1283 PolarHBondContact O-N 2.98Å
1284I70.6Confident77.8Confident98 Ų9839.5 Ų39.550%0.50321%0.207SC..G310 helixtrans-74.5-34.1-172.1-163.2166.1000112.8R1286 L1287I1284-R1286 PolarHBondContact O-N 3.48Å; I1284-L1287 WeakPolarHBondContact O-CB 3.5Å; I1284-L1287 PolarHBondContact O-N 3.37Å
1285D65.6Low78.1Confident151 Ų15139 Ų3981%0.80721%0.205SC*.G310 helixtrans-59.9-20.2-174.1-29.4-35000114.1
1286R70.5Confident78.7Confident121 Ų12139.6 Ų39.646%0.45721%0.206SC..G310 helixtrans-121.19.6179.6-56.4-171-175.8-161.30.2113.2L1152 I1282 I1284 T1288 N1289 A1290L1152-R1286 HydrophobicContact CD1-CB 4.29Å; I1282-R1286 HydrophobicContact CG2-CB 4.1Å; I1284-R1286 PolarHBondContact O-N 3.48Å; R1286-T1288 VanDerWaalsContact C-N 3.32Å; R1286-T1288 PolarHBondContact O-N 3.11Å; R1286-N1289 PolarHBondContact O-N 2.9Å; R1286-A1290 VanDerWaalsContact O-CB 3.27Å; R1286-A1290 WeakPolarHBondContact O-CB 3.42Å; R1286-A1290 PolarHBondContact O-N 3.36Å
1287L71.8Confident79.3Confident24 Ų2441.1 Ų41.113%0.12621%0.211CC..Hα-helixtrans-50.1-50.7-177.7172.258.9000111.7V1278 V1279 I1284 A1290 F1291V1278-L1287 HydrophobicContact CB-CD1 3.87Å; V1278-L1287 HydrophobicContact CG1-CD1 3.51Å; V1279-L1287 HydrophobicContact CG2-CD1 3.66Å; V1279-L1287 HydrophobicContact CG2-CD2 3.82Å; V1279-L1287 HydrophobicContact CG2-CG 4.24Å; I1284-L1287 WeakPolarHBondContact O-CB 3.5Å; I1284-L1287 PolarHBondContact O-N 3.37Å; L1287-A1290 PolarHBondContact O-N 2.95Å; L1287-F1291 WeakPolarHBondContact O-CB 3.28Å; L1287-F1291 PolarHBondContact O-N 3.35Å
1288T71.8Confident79.7Confident58 Ų5841.1 Ų41.136%0.35621%0.212SC..Hα-helixtrans-67.4-40.3-173.8-30.20000112.2S261 R1286 G1292S261-T1288 VanDerWaalsContact OG-CG2 3.28Å; S261-T1288 WeakPolarHBondContact OG-CG2 3.47Å; R1286-T1288 VanDerWaalsContact C-N 3.32Å; R1286-T1288 PolarHBondContact O-N 3.11Å; T1288-G1292 PolarHBondContact O-N 2.81Å
1289N74Confident80.2Confident42 Ų4241.2 Ų41.223%0.22521%0.212CC..Hα-helixtrans-69-45.8178.1-54.123.5000110.2D1146 L1147 R1286 G1292 Y1293D1146-N1289 PolarHBondContact O-ND2 3.38Å; L1147-N1289 HydrophobicContact CD2-CB 4.5Å; L1147-N1289 WeakPolarHBondContact CD2-OD1 3.27Å; R1286-N1289 PolarHBondContact O-N 2.9Å; N1289-G1292 PolarHBondContact O-N 3.41Å; N1289-Y1293 WeakPolarHBondContact O-CD2 3.41Å; N1289-Y1293 PolarHBondContact O-N 2.96Å
1290A81.5Confident81.1Confident0 Ų044.9 Ų44.90%023%0.225CC..Hα-helixtrans-63.6-44.4178.200000112.6L1152 F1158 V1278 I1282 R1286 L1287 Y1293 L1294L1152-A1290 HydrophobicContact CD2-CB 3.71Å; F1158-A1290 HydrophobicContact CE2-CB 4.24Å; F1158-A1290 HydrophobicContact CZ-CB 4.32Å; V1278-A1290 HydrophobicContact CG1-CB 3.56Å; I1282-A1290 HydrophobicContact CD1-CB 3.55Å; R1286-A1290 VanDerWaalsContact O-CB 3.27Å; R1286-A1290 WeakPolarHBondContact O-CB 3.42Å; R1286-A1290 PolarHBondContact O-N 3.36Å; L1287-A1290 PolarHBondContact O-N 2.95Å; A1290-Y1293 PolarHBondContact O-N 2.86Å; A1290-L1294 VanDerWaalsContact O-CB 3.25Å; A1290-L1294 WeakPolarHBondContact O-CB 3.46Å; A1290-L1294 PolarHBondContact O-N 3.35Å
1291F81Confident81.8Confident29 Ų2941.5 Ų41.513%0.12721%0.209CC..Hα-helixtrans-65.8-41.2175.8-167.8-109.3000110.8K1274 V1278 L1287 L1294 L1295K1274-F1291 HydrophobicContact CD-CE2 4.37Å; K1274-F1291 HydrophobicContact CG-CE2 4.34Å; V1278-F1291 HydrophobicContact CG2-CD2 4.35Å; L1287-F1291 WeakPolarHBondContact O-CB 3.28Å; L1287-F1291 PolarHBondContact O-N 3.35Å; F1291-L1294 PolarHBondContact O-N 3.04Å; F1291-L1295 HydrophobicContact CD1-CD1 3.74Å; F1291-L1295 HydrophobicContact CD1-CG 4.17Å; F1291-L1295 HydrophobicContact CE1-CD1 3.61Å; F1291-L1295 HydrophobicContact CE1-CD2 4.3Å; F1291-L1295 HydrophobicContact CE1-CG 4.08Å; F1291-L1295 HydrophobicContact CZ-CD1 4.36Å; F1291-L1295 HydrophobicContact CZ-CD2 4.23Å; F1291-L1295 HydrophobicContact CZ-CG 4.4Å; F1291-L1295 WeakPolarHBondContact O-CB 3.41Å; F1291-L1295 VanDerWaalsContact O-CG 3.27Å; F1291-L1295 WeakPolarHBondContact O-CG 3.31Å; F1291-L1295 PolarHBondContact O-N 3.3Å
1292G82.4Confident82.6Confident2 Ų240.4 Ų40.42%0.02120%0.204CC..Hα-helixtrans-56.2-51.8172.400000112.8P258 T1288 N1289 L1294 L1295 L1296P258-G1292 WeakPolarHBondContact CD-O 3.46Å; P258-G1292 WeakPolarHBondContact CG-O 3.24Å; T1288-G1292 PolarHBondContact O-N 2.81Å; N1289-G1292 PolarHBondContact O-N 3.41Å; G1292-L1294 VanDerWaalsContact C-N 3.34Å; G1292-L1294 PolarHBondContact O-N 2.89Å; G1292-L1295 PolarHBondContact O-N 3.13Å; G1292-L1296 PolarHBondContact O-N 3.13Å
1293Y85.2Confident83.4Confident17 Ų1739.7 Ų39.77%0.06720%0.203CC..Hα-helixtrans-58.1-45.1174-87.9-62.6000112.3L1148 L1152 L1153 N1289 A1290 L1295 L1296 F1297L1148-Y1293 WeakPolarHBondContact CA-OH 3.25Å; L1148-Y1293 PolarHBondContact O-OH 3.22Å; L1148-Y1293 VanDerWaalsContact O-OH 3.05Å; L1152-Y1293 HydrophobicContact CB-CE2 4.45Å; L1152-Y1293 HydrophobicContact CD2-CD2 3.9Å; L1152-Y1293 HydrophobicContact CD2-CE2 4.37Å; L1153-Y1293 HydrophobicContact CD1-CD1 4.37Å; L1153-Y1293 HydrophobicContact CD1-CE1 3.72Å; L1153-Y1293 HydrophobicContact CD2-CD1 4.26Å; L1153-Y1293 HydrophobicContact CD2-CE1 4.38Å; L1153-Y1293 HydrophobicContact CG-CD1 4.48Å; L1153-Y1293 HydrophobicContact CG-CE1 4.13Å; N1289-Y1293 WeakPolarHBondContact O-CD2 3.41Å; N1289-Y1293 PolarHBondContact O-N 2.96Å; A1290-Y1293 PolarHBondContact O-N 2.86Å; Y1293-L1295 VanDerWaalsContact C-N 3.34Å; Y1293-L1295 PolarHBondContact O-N 2.94Å; Y1293-L1296 WeakPolarHBondContact O-CB 3.49Å; Y1293-L1296 PolarHBondContact O-N 2.99Å; Y1293-L1296 VanDerWaalsContact O-N 3.12Å; Y1293-F1297 HydrophobicContact CD1-CE2 4.29Å; Y1293-F1297 WeakPolarHBondContact O-CD2 3.49Å; Y1293-F1297 PolarHBondContact O-N 3.19Å
1294L88.6Confident84.6Confident1 Ų141 Ų411%0.00521%0.206CC..Hα-helixtrans-65-37.6-178.3-172.7138.4000111.9F1158 F1161 K1274 V1278 A1290 F1291 G1292 Q1298F1158-L1294 HydrophobicContact CE2-CD1 4.47Å; F1161-L1294 HydrophobicContact CD1-CD1 3.6Å; F1161-L1294 HydrophobicContact CE1-CD1 3.3Å; F1161-L1294 HydrophobicContact CG-CD1 4.44Å; F1161-L1294 HydrophobicContact CZ-CD1 3.91Å; K1274-L1294 HydrophobicContact CD-CD2 3.66Å; K1274-L1294 HydrophobicContact CG-CD2 3.71Å; V1278-L1294 HydrophobicContact CG2-CD1 4.3Å; A1290-L1294 VanDerWaalsContact O-CB 3.25Å; A1290-L1294 WeakPolarHBondContact O-CB 3.46Å; A1290-L1294 PolarHBondContact O-N 3.35Å; F1291-L1294 PolarHBondContact O-N 3.04Å; G1292-L1294 VanDerWaalsContact C-N 3.34Å; G1292-L1294 PolarHBondContact O-N 2.89Å; L1294-Q1298 WeakPolarHBondContact O-CB 3.27Å; L1294-Q1298 WeakPolarHBondContact O-CG 3.44Å; L1294-Q1298 PolarHBondContact O-N 3.42Å
1295L89.8Confident85.8Confident1 Ų136.3 Ų36.31%0.00518%0.182CC..Hα-helixtrans-65.1-39.7170-69176000112.2L254 Y312 L313 F1291 G1292 Y1293 Q1298 G1299L254-L1295 CarbonylContact C-O 3.55Å; L254-L1295 HydrophobicContact CD2-CD2 3.68Å; L254-L1295 CarbonylContact O-C 3.24Å; L254-L1295 WeakPolarHBondContact O-CB 3.47Å; Y312-L1295 HydrophobicContact CE1-CD2 4.39Å; L313-L1295 HydrophobicContact CD1-CD1 3.95Å; F1291-L1295 HydrophobicContact CD1-CD1 3.74Å; F1291-L1295 HydrophobicContact CD1-CG 4.17Å; F1291-L1295 HydrophobicContact CE1-CD1 3.61Å; F1291-L1295 HydrophobicContact CE1-CD2 4.3Å; F1291-L1295 HydrophobicContact CE1-CG 4.08Å; F1291-L1295 HydrophobicContact CZ-CD1 4.36Å; F1291-L1295 HydrophobicContact CZ-CD2 4.23Å; F1291-L1295 HydrophobicContact CZ-CG 4.4Å; F1291-L1295 WeakPolarHBondContact O-CB 3.41Å; F1291-L1295 VanDerWaalsContact O-CG 3.27Å; F1291-L1295 WeakPolarHBondContact O-CG 3.31Å; F1291-L1295 PolarHBondContact O-N 3.3Å; G1292-L1295 PolarHBondContact O-N 3.13Å; Y1293-L1295 VanDerWaalsContact C-N 3.34Å; Y1293-L1295 PolarHBondContact O-N 2.94Å; L1295-Q1298 PolarHBondContact O-N 3.49Å; L1295-G1299 PolarHBondContact O-N 3.33Å
1296L91.4Very high87.2Confident39 Ų3929.1 Ų29.120%0.20414%0.144CC..Hα-helixtrans-58.6-53.8-179.7-179.6145.2000112.3F255 P258 G1292 Y1293 G1299 F1300F255-L1296 HydrophobicContact CD2-CG 4.06Å; F255-L1296 WeakPolarHBondContact CD2-O 3.35Å; F255-L1296 HydrophobicContact CE2-CD1 4.46Å; F255-L1296 HydrophobicContact CE2-CD2 4.28Å; F255-L1296 HydrophobicContact CE2-CG 3.98Å; P258-L1296 HydrophobicContact CG-CB 4Å; P258-L1296 HydrophobicContact CG-CD1 3.84Å; G1292-L1296 PolarHBondContact O-N 3.13Å; Y1293-L1296 WeakPolarHBondContact O-CB 3.49Å; Y1293-L1296 PolarHBondContact O-N 2.99Å; Y1293-L1296 VanDerWaalsContact O-N 3.12Å; L1296-G1299 PolarHBondContact O-N 3.34Å; L1296-F1300 PolarHBondContact O-N 3.44Å
1297F91.4Very high88.4Confident67 Ų6724.6 Ų24.629%0.29413%0.13SC..Hα-helixtrans-71.1-32.1-179.8-71.4-86.2000112.3L1153 L1162 M1166 Y1293 F1300 A1301L1153-F1297 HydrophobicContact CD2-CE2 4.31Å; L1162-F1297 HydrophobicContact CD1-CD2 3.74Å; L1162-F1297 HydrophobicContact CD1-CE2 4.2Å; L1162-F1297 HydrophobicContact CD1-CG 4.46Å; L1162-F1297 HydrophobicContact CD2-CB 4.06Å; L1162-F1297 HydrophobicContact CD2-CD1 4.29Å; L1162-F1297 HydrophobicContact CD2-CD2 3.81Å; L1162-F1297 HydrophobicContact CD2-CE2 4.29Å; L1162-F1297 HydrophobicContact CD2-CG 3.8Å; L1162-F1297 HydrophobicContact CG-CB 4.33Å; L1162-F1297 HydrophobicContact CG-CD2 4.13Å; L1162-F1297 HydrophobicContact CG-CG 4.36Å; M1166-F1297 HydrophobicContact SD-CB 4.49Å; Y1293-F1297 HydrophobicContact CD1-CE2 4.29Å; Y1293-F1297 WeakPolarHBondContact O-CD2 3.49Å; Y1293-F1297 PolarHBondContact O-N 3.19Å; F1297-F1300 PolarHBondContact O-N 3.02Å; F1297-A1301 PolarHBondContact O-N 3.1Å
1298Q93.1Very high89.5Confident1 Ų125.9 Ų25.91%0.00514%0.139CC..Hα-helixtrans-64-38.1170.9-81.1-178-7.400112.9S1165 M1169 K1274 L1294 L1295 A1301 A1302S1165-Q1298 PolarHBondContact OG-NE2 2.87Å; M1169-Q1298 HydrophobicContact CB-CB 4.21Å; M1169-Q1298 HydrophobicContact CB-CG 4.22Å; M1169-Q1298 HydrophobicContact CG-CB 3.78Å; M1169-Q1298 HydrophobicContact CG-CG 3.52Å; K1274-Q1298 VanDerWaalsContact CE-NE2 3.35Å; L1294-Q1298 WeakPolarHBondContact O-CB 3.27Å; L1294-Q1298 WeakPolarHBondContact O-CG 3.44Å; L1294-Q1298 PolarHBondContact O-N 3.42Å; L1295-Q1298 PolarHBondContact O-N 3.49Å; Q1298-A1301 PolarHBondContact O-N 2.93Å; Q1298-A1302 WeakPolarHBondContact O-CB 3.25Å; Q1298-A1302 PolarHBondContact O-N 3.27Å
1299G93.2Very high90.6Very high1 Ų123.1 Ų23.11%0.0112%0.122CC..Hα-helixtrans-65.2-42176.900000112.7G251 L1295 L1296 A1301 A1302 A1303G251-G1299 CarbonylContact C-O 3.47Å; G251-G1299 WeakPolarHBondContact CA-O 3.33Å; G251-G1299 CarbonylContact O-C 3.51Å; G251-G1299 WeakPolarHBondContact O-CA 3.32Å; L1295-G1299 PolarHBondContact O-N 3.33Å; L1296-G1299 PolarHBondContact O-N 3.34Å; G1299-A1301 PolarHBondContact O-N 3.24Å; G1299-A1302 PolarHBondContact O-N 2.52Å; G1299-A1303 WeakPolarHBondContact O-CB 3.43Å; G1299-A1303 PolarHBondContact O-N 3.04Å
1300F94.2Very high91.4Very high126 Ų12621.1 Ų21.155%0.55311%0.111SC*.Hα-helixtrans-58.8-45.9172.1-177.2-100.3000112F255 L1296 F1297 A1303 V1304F255-F1300 HydrophobicContact CD2-CB 4.47Å; L1296-F1300 PolarHBondContact O-N 3.44Å; F1297-F1300 PolarHBondContact O-N 3.02Å; F1300-A1303 PolarHBondContact O-N 3.44Å; F1300-V1304 HydrophobicContact CE1-CG2 4.28Å; F1300-V1304 HydrophobicContact CE2-CG2 4.41Å; F1300-V1304 HydrophobicContact CZ-CG2 4.14Å; F1300-V1304 WeakPolarHBondContact O-CG2 3.42Å; F1300-V1304 PolarHBondContact O-N 3.02Å
1301A95.1Very high91.9Very high4 Ų426.5 Ų26.53%0.03313%0.132CC..Hα-helixtrans-64.3-41.4176.900000113.4M1166 M1169 L1170 F1297 Q1298 G1299 A1303 V1304 G1305M1166-A1301 HydrophobicContact CG-CB 3.69Å; M1166-A1301 WeakPolarHBondContact O-CB 3.44Å; M1169-A1301 HydrophobicContact CB-CB 4.46Å; L1170-A1301 HydrophobicContact CB-CB 4.16Å; F1297-A1301 PolarHBondContact O-N 3.1Å; Q1298-A1301 PolarHBondContact O-N 2.93Å; G1299-A1301 PolarHBondContact O-N 3.24Å; A1301-A1303 VanDerWaalsContact C-N 3.33Å; A1301-A1303 PolarHBondContact O-N 2.91Å; A1301-V1304 PolarHBondContact O-N 2.91Å; A1301-G1305 PolarHBondContact O-N 3.44Å
1302A95.1Very high92.5Very high0 Ų027.8 Ų27.80%014%0.14CC..Hα-helixtrans-68.2-29.9177.600000113V250 L254 V1173 Q1298 G1299 P1306V250-A1302 HydrophobicContact CG1-CB 3.96Å; L254-A1302 HydrophobicContact CD1-CB 4.18Å; V1173-A1302 HydrophobicContact CG2-CB 4.01Å; Q1298-A1302 WeakPolarHBondContact O-CB 3.25Å; Q1298-A1302 PolarHBondContact O-N 3.27Å; G1299-A1302 PolarHBondContact O-N 2.52Å; A1302-P1306 WeakPolarHBondContact O-CD 3.28Å
1303A95.4Very high92.7Very high24 Ų2427.9 Ų27.920%0.19814%0.14CC..Hα-helixtrans-65.9-41170.900000112.4G247 G1299 F1300 A1301 P1307G247-A1303 WeakPolarHBondContact O-CA 3.16Å; G1299-A1303 WeakPolarHBondContact O-CB 3.43Å; G1299-A1303 PolarHBondContact O-N 3.04Å; F1300-A1303 PolarHBondContact O-N 3.44Å; A1301-A1303 VanDerWaalsContact C-N 3.33Å; A1301-A1303 PolarHBondContact O-N 2.91Å; A1303-P1307 WeakPolarHBondContact O-CD 3.27Å; A1303-P1307 WeakPolarHBondContact O-CG 3.19Å
1304V95.7Very high92.8Very high54 Ų5428 Ų2833%0.32714%0.142SC..Hα-helixtrans-83.6-31.9-174.21740000113L1170 F1300 A1301 P1307 V1308L1170-V1304 HydrophobicContact CD1-CB 4.44Å; L1170-V1304 HydrophobicContact CD1-CG1 4.34Å; F1300-V1304 HydrophobicContact CE1-CG2 4.28Å; F1300-V1304 HydrophobicContact CE2-CG2 4.41Å; F1300-V1304 HydrophobicContact CZ-CG2 4.14Å; F1300-V1304 WeakPolarHBondContact O-CG2 3.42Å; F1300-V1304 PolarHBondContact O-N 3.02Å; A1301-V1304 PolarHBondContact O-N 2.91Å; V1304-P1307 WeakPolarHBondContact O-CD 3.2Å; V1304-V1308 HydrophobicContact CG1-CG2 3.7Å; V1304-V1308 WeakPolarHBondContact O-CB 3.49Å; V1304-V1308 WeakPolarHBondContact O-CG2 3.3Å; V1304-V1308 PolarHBondContact O-N 2.91Å; V1304-V1308 VanDerWaalsContact O-N 3.12Å
1305G94.4Very high92.7Very high0 Ų030.6 Ų30.60%016%0.155CC..Hα-helixtrans-55.6-58.5-174.100000114.6A1301 V1308 A1309A1301-G1305 PolarHBondContact O-N 3.44Å; G1305-V1308 PolarHBondContact O-N 3.3Å; G1305-A1309 WeakPolarHBondContact O-CB 3.28Å; G1305-A1309 PolarHBondContact O-N 3.36Å
1306P95.3Very high92.2Very high1 Ų132.7 Ų32.71%0.00617%0.165CC..Hα-helixtrans-64.5-41-178.1-23.436000114.9L243 V1173 L1177 A1302 V1308 A1309 G1310L243-P1306 HydrophobicContact CB-CB 4.26Å; L243-P1306 WeakPolarHBondContact CD1-O 3.47Å; V1173-P1306 HydrophobicContact CB-CG 4.21Å; V1173-P1306 HydrophobicContact CG1-CG 3.75Å; L1177-P1306 HydrophobicContact CD2-CB 3.9Å; L1177-P1306 HydrophobicContact CD2-CG 4.06Å; A1302-P1306 WeakPolarHBondContact O-CD 3.28Å; P1306-V1308 PolarHBondContact O-N 3.38Å; P1306-A1309 PolarHBondContact O-N 3.35Å; P1306-G1310 PolarHBondContact O-N 3.27Å
1307P95.4Very high91.4Very high26 Ų2631.8 Ų31.817%0.16916%0.16CC..Hα-helixtrans-58.3-44170.7-28.536.5000113.9A1303 V1304 G1310 Y1311A1303-P1307 WeakPolarHBondContact O-CD 3.27Å; A1303-P1307 WeakPolarHBondContact O-CG 3.19Å; V1304-P1307 WeakPolarHBondContact O-CD 3.2Å; P1307-G1310 PolarHBondContact O-N 2.92Å; P1307-Y1311 WeakPolarHBondContact O-CB 3.4Å; P1307-Y1311 PolarHBondContact O-N 2.92Å
1308V95.5Very high90.4Very high51 Ų5131.4 Ų31.431%0.30916%0.161SC..Hα-helixtrans-65.9-42.6177.71700000111V1304 G1305 P1306 G1310 Y1311 L1312 F1343V1304-V1308 HydrophobicContact CG1-CG2 3.7Å; V1304-V1308 WeakPolarHBondContact O-CB 3.49Å; V1304-V1308 WeakPolarHBondContact O-CG2 3.3Å; V1304-V1308 PolarHBondContact O-N 2.91Å; V1304-V1308 VanDerWaalsContact O-N 3.12Å; G1305-V1308 PolarHBondContact O-N 3.3Å; P1306-V1308 PolarHBondContact O-N 3.38Å; V1308-G1310 PolarHBondContact O-N 2.87Å; V1308-Y1311 PolarHBondContact O-N 2.81Å; V1308-L1312 HydrophobicContact CG1-CD1 4.28Å; V1308-L1312 WeakPolarHBondContact O-CG 3.45Å; V1308-L1312 PolarHBondContact O-N 3.36Å; V1308-F1343 HydrophobicContact CB-CE1 4.42Å; V1308-F1343 HydrophobicContact CB-CZ 4.24Å; V1308-F1343 HydrophobicContact CG1-CE1 4.06Å; V1308-F1343 HydrophobicContact CG1-CE2 3.96Å; V1308-F1343 HydrophobicContact CG1-CZ 3.65Å
1309A94.2Very high89.3Confident0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-60.8-43.6174.500000112.3V1174 G1305 P1306 L1312 R1313 A1340 F1343V1174-A1309 HydrophobicContact CB-CB 4.3Å; V1174-A1309 HydrophobicContact CG1-CB 3.47Å; V1174-A1309 VanDerWaalsContact CG1-CB 3.47Å; V1174-A1309 HydrophobicContact CG2-CB 3.78Å; G1305-A1309 WeakPolarHBondContact O-CB 3.28Å; G1305-A1309 PolarHBondContact O-N 3.36Å; P1306-A1309 PolarHBondContact O-N 3.35Å; A1309-L1312 PolarHBondContact O-N 3.48Å; A1309-R1313 PolarHBondContact O-N 2.91Å; A1309-A1340 HydrophobicContact CB-CB 3.89Å; A1309-F1343 HydrophobicContact CB-CD1 4.19Å; A1309-F1343 HydrophobicContact CB-CE1 4.46Å
1310G91.4Very high87.8Confident0 Ų039.4 Ų39.40%020%0.2CC..Hα-helixtrans-61.2-41.9172.700000112.9P1306 P1307 V1308 R1313 D1314P1306-G1310 PolarHBondContact O-N 3.27Å; P1307-G1310 PolarHBondContact O-N 2.92Å; V1308-G1310 PolarHBondContact O-N 2.87Å; G1310-R1313 WeakPolarHBondContact O-CB 3.48Å; G1310-R1313 PolarHBondContact O-N 3.04Å; G1310-D1314 PolarHBondContact O-N 3.33Å
1311Y93Very high85.8Confident112 Ų11237 Ų3744%0.43920%0.196SC..Hα-helixtrans-65.6-38.3177.4-178.2-119.5000112.3P1307 V1308 R1313 D1314 L1315P1307-Y1311 WeakPolarHBondContact O-CB 3.4Å; P1307-Y1311 PolarHBondContact O-N 2.92Å; V1308-Y1311 PolarHBondContact O-N 2.81Å; Y1311-R1313 VanDerWaalsContact C-N 3.32Å; Y1311-D1314 PolarHBondContact O-N 2.82Å; Y1311-L1315 HydrophobicContact CD1-CD1 3.92Å; Y1311-L1315 HydrophobicContact CD1-CG 4.48Å; Y1311-L1315 HydrophobicContact CD2-CG 4.35Å; Y1311-L1315 HydrophobicContact CE1-CD1 3.49Å; Y1311-L1315 VanDerWaalsContact CE1-CD1 3.49Å; Y1311-L1315 HydrophobicContact CE1-CG 4.15Å; Y1311-L1315 HydrophobicContact CE2-CD1 4.25Å; Y1311-L1315 HydrophobicContact CE2-CD2 4.23Å; Y1311-L1315 HydrophobicContact CE2-CG 3.99Å; Y1311-L1315 HydrophobicContact CG-CD1 4.48Å; Y1311-L1315 WeakPolarHBondContact O-CB 3.48Å; Y1311-L1315 VanDerWaalsContact O-CG 3.31Å; Y1311-L1315 WeakPolarHBondContact O-CG 3.22Å; Y1311-L1315 PolarHBondContact O-N 2.81Å
1312L92Very high83.9Confident56 Ų5641.6 Ų41.629%0.29323%0.226SC..Hα-helixtrans-65.7-34172.7-69.5171.9000112.3V1308 A1309 Q1316 M1339 F1343V1308-L1312 HydrophobicContact CG1-CD1 4.28Å; V1308-L1312 WeakPolarHBondContact O-CG 3.45Å; V1308-L1312 PolarHBondContact O-N 3.36Å; A1309-L1312 PolarHBondContact O-N 3.48Å; L1312-Q1316 PolarHBondContact O-N 3.46Å; L1312-M1339 HydrophobicContact CB-CB 4.41Å; L1312-F1343 HydrophobicContact CD1-CB 3.73Å; L1312-F1343 HydrophobicContact CD1-CD1 4.41Å; L1312-F1343 HydrophobicContact CD1-CD2 3.99Å; L1312-F1343 HydrophobicContact CD1-CG 3.79Å
1313R87.8Confident81.7Confident4 Ų446.7 Ų46.72%0.01525%0.248CC..Hα-helixtrans-66.8-50.3170.9-179.8172.6-170.4-105.3-15.7111.3D1181 E1185 A1309 G1310 Y1311 L1315 Q1316 I1317 A1336D1181-R1313 VanDerWaalsContact CG-CZ 3.5Å; D1181-R1313 IonicContact OD1-CZ 2.72Å; D1181-R1313 IonicContact OD1-NH1 3.78Å; D1181-R1313 PolarHBondContact OD1-NH1 3.06Å; D1181-R1313 IonicContact OD2-CZ 3.37Å; D1181-R1313 IonicContact OD2-NE 2.74Å; D1181-R1313 IonicContact OD2-NH1 2.81Å; D1181-R1313 PolarHBondContact OD2-NH1 3.18Å; E1185-R1313 IonicContact OE1-CZ 2.78Å; E1185-R1313 VanDerWaalsContact OE1-CZ 3.23Å; E1185-R1313 IonicContact OE1-NE 3.27Å; E1185-R1313 PolarHBondContact OE1-NE 3.07Å; E1185-R1313 IonicContact OE1-NH2 2.76Å; E1185-R1313 PolarHBondContact OE1-NH2 3.06Å; A1309-R1313 PolarHBondContact O-N 2.91Å; G1310-R1313 WeakPolarHBondContact O-CB 3.48Å; G1310-R1313 PolarHBondContact O-N 3.04Å; Y1311-R1313 VanDerWaalsContact C-N 3.32Å; R1313-L1315 PolarHBondContact O-N 2.83Å; R1313-Q1316 PolarHBondContact O-N 3.42Å; R1313-Q1316 VanDerWaalsContact O-N 3.08Å; R1313-I1317 HydrophobicContact CG-CD1 4.43Å; R1313-I1317 PolarHBondContact O-N 3.29Å; R1313-A1336 HydrophobicContact CG-CB 4.04Å
1314D87.1Confident78.9Confident20 Ų2049.2 Ų49.211%0.10726%0.264CS..Hα-helixtrans-56.2-49178.3-65.2-31.4000110.6R239 S240 G1310 Y1311 Q1316 I1317 D1318R239-D1314 PolarHBondContact N-OD1 2.88Å; R239-D1314 PolarHBondContact N-OD2 3.23Å; S240-D1314 VanDerWaalsContact CB-OD2 3.28Å; S240-D1314 WeakPolarHBondContact CB-OD2 3.41Å; S240-D1314 PolarHBondContact N-OD2 3.18Å; S240-D1314 PolarHBondContact OG-OD2 3.17Å; G1310-D1314 PolarHBondContact O-N 3.33Å; Y1311-D1314 PolarHBondContact O-N 2.82Å; D1314-Q1316 PolarHBondContact O-N 3.18Å; D1314-I1317 PolarHBondContact O-N 3.35Å; D1314-I1317 VanDerWaalsContact O-N 3.12Å; D1314-D1318 PolarHBondContact O-N 3.34Å
1315L85.1Confident76.6Confident55 Ų5552 Ų5229%0.28828%0.277SS..Hα-helixtrans-60.9-24176.6-79178.6000114.6Y1311 R1313 K1319Y1311-L1315 HydrophobicContact CD1-CD1 3.92Å; Y1311-L1315 HydrophobicContact CD1-CG 4.48Å; Y1311-L1315 HydrophobicContact CD2-CG 4.35Å; Y1311-L1315 HydrophobicContact CE1-CD1 3.49Å; Y1311-L1315 VanDerWaalsContact CE1-CD1 3.49Å; Y1311-L1315 HydrophobicContact CE1-CG 4.15Å; Y1311-L1315 HydrophobicContact CE2-CD1 4.25Å; Y1311-L1315 HydrophobicContact CE2-CD2 4.23Å; Y1311-L1315 HydrophobicContact CE2-CG 3.99Å; Y1311-L1315 HydrophobicContact CG-CD1 4.48Å; Y1311-L1315 WeakPolarHBondContact O-CB 3.48Å; Y1311-L1315 VanDerWaalsContact O-CG 3.31Å; Y1311-L1315 WeakPolarHBondContact O-CG 3.22Å; Y1311-L1315 PolarHBondContact O-N 2.81Å; R1313-L1315 PolarHBondContact O-N 2.83Å; L1315-K1319 WeakPolarHBondContact O-CD 3.49Å; L1315-K1319 WeakPolarHBondContact O-CE 3.33Å; L1315-K1319 WeakPolarHBondContact O-CG 3.47Å
1316Q81.4Confident74.1Confident45 Ų4556.8 Ų56.821%0.2131%0.31CS..Hα-helixtrans-84.3-28.1178.1-169.661.715.600111.7L1312 R1313 D1314 A1336 M1339L1312-Q1316 PolarHBondContact O-N 3.46Å; R1313-Q1316 PolarHBondContact O-N 3.42Å; R1313-Q1316 VanDerWaalsContact O-N 3.08Å; D1314-Q1316 PolarHBondContact O-N 3.18Å; Q1316-A1336 HydrophobicContact CB-CB 4.43Å; Q1316-M1339 HydrophobicContact CB-CG 4.23Å; Q1316-M1339 HydrophobicContact CG-CG 4.04Å
1317I73.7Confident71.8Confident20 Ų2059.8 Ų59.810%0.10333%0.328CS..Hα-helixtrans-69.6-41172.2-62.4167.5000110.5I217 I225 R1313 D1314 K1319 T1320 A1336I217-I1317 HydrophobicContact CD1-CG2 4.33Å; I225-I1317 HydrophobicContact CD1-CG2 3.85Å; I225-I1317 HydrophobicContact CG2-CD1 3.99Å; R1313-I1317 HydrophobicContact CG-CD1 4.43Å; R1313-I1317 PolarHBondContact O-N 3.29Å; D1314-I1317 PolarHBondContact O-N 3.35Å; D1314-I1317 VanDerWaalsContact O-N 3.12Å; I1317-K1319 PolarHBondContact O-N 3.34Å; I1317-T1320 PolarHBondContact O-N 3.33Å; I1317-T1320 PolarHBondContact O-OG1 3.38Å; I1317-A1336 HydrophobicContact CD1-CB 4.24Å; I1317-A1336 HydrophobicContact CG1-CB 3.6Å
1318D70.6Confident69.4Low59 Ų5960.8 Ų60.832%0.31633%0.334SS..THydrogen-bonded Turntrans-65.2-20.3179.5-99.7-37.9000114.3R215 D1314R215-D1318 IonicContact CZ-OD1 3.43Å; R215-D1318 PolarHBondContact NH1-O 3.01Å; R215-D1318 IonicContact NH1-OD1 3.47Å; R215-D1318 PolarHBondContact NH1-OD1 3.19Å; D1314-D1318 PolarHBondContact O-N 3.34Å
1319K70.4Confident67Low125 Ų12568.2 Ų68.254%0.54336%0.358SS..THydrogen-bonded Turntrans-90.4-21.9-179.9-70.4171.2-171.2172.30114.1L1315 I1317 P1321L1315-K1319 WeakPolarHBondContact O-CD 3.49Å; L1315-K1319 WeakPolarHBondContact O-CE 3.33Å; L1315-K1319 WeakPolarHBondContact O-CG 3.47Å; I1317-K1319 PolarHBondContact O-N 3.34Å; K1319-P1321 WeakPolarHBondContact O-CD 3.31Å
1320T60.8Low64.5Low46 Ų4675 Ų7528%0.28239%0.394SS..SBendtrans-78120.2178.538.50000110.6I1317 H1334I1317-T1320 PolarHBondContact O-N 3.33Å; I1317-T1320 PolarHBondContact O-OG1 3.38Å; T1320-H1334 PolarHBondContact OG1-CE1 3.39Å
1321P53.4Low62.2Low74 Ų7476.1 Ų76.148%0.48140%0.403SS..  trans-72152.5175.530.9-34.7000110.9K1319 F1323K1319-P1321 WeakPolarHBondContact O-CD 3.31Å; P1321-F1323 HydrophobicContact CG-CD2 4.39Å; P1321-F1323 HydrophobicContact CG-CE1 4.21Å; P1321-F1323 HydrophobicContact CG-CE2 3.81Å; P1321-F1323 HydrophobicContact CG-CZ 3.71Å; P1321-F1323 WeakPolarHBondContact O-CD2 3.4Å; P1321-F1323 PolarHBondContact O-N 3.33Å
1322P54Low60.1Low101 Ų10174.7 Ų74.766%0.65641%0.408SS*.  trans-69.1100.3172.328.5-33.2000110
1323F48.5Very low58.2Low107 Ų10773.1 Ų73.147%0.46940%0.402SS..  trans-70.8149.8179.3-71.3-82.2000112.7I220 P1321I220-F1323 HydrophobicContact CD1-CB 4.09Å; I220-F1323 VanDerWaalsContact CD1-O 3.26Å; I220-F1323 WeakPolarHBondContact CD1-O 3.45Å; I220-F1323 WeakPolarHBondContact CG1-O 3.15Å; P1321-F1323 HydrophobicContact CG-CD2 4.39Å; P1321-F1323 HydrophobicContact CG-CE1 4.21Å; P1321-F1323 HydrophobicContact CG-CE2 3.81Å; P1321-F1323 HydrophobicContact CG-CZ 3.71Å; P1321-F1323 WeakPolarHBondContact O-CD2 3.4Å; P1321-F1323 PolarHBondContact O-N 3.33Å
1324S37.9Very low57Low77 Ų7774.2 Ų74.254%0.53841%0.408SS..  trans-68.6148.2179.2-1760000113S1326 T1327S1324-S1326 PolarHBondContact O-N 3.26Å; S1324-S1326 PolarHBondContact OG-OG 2.81Å; S1324-T1327 PolarHBondContact O-N 3.15Å
1325I46.8Very low56.4Low114 Ų11478 Ų7859%0.58543%0.428SS*.G310 helixtrans-66.9-5.5-180-141.8164.9000113.6V221 T1327 V1328V221-I1325 HydrophobicContact CG2-CD1 4.28Å; I1325-T1327 PolarHBondContact O-N 2.76Å; I1325-V1328 HydrophobicContact CG1-CG2 3.99Å; I1325-V1328 WeakPolarHBondContact O-CG2 3.09Å
1326S41.1Very low56.2Low99 Ų9975.4 Ų75.469%0.69241%0.414SS*.G310 helixtrans-66.4-18.917251.50000114S1324S1324-S1326 PolarHBondContact O-N 3.26Å; S1324-S1326 PolarHBondContact OG-OG 2.81Å
1327T47.3Very low56.5Low65 Ų6573.2 Ų73.240%0.39940%0.404SS..G310 helixtrans-105.313.8-170-34.50000113.4S1324 I1325 Y1329 N1330 A1331S1324-T1327 PolarHBondContact O-N 3.15Å; I1325-T1327 PolarHBondContact O-N 2.76Å; T1327-Y1329 VanDerWaalsContact C-N 3.27Å; T1327-Y1329 PolarHBondContact O-N 2.81Å; T1327-N1330 HydrophobicContact CG2-CB 4.26Å; T1327-N1330 CarbonylContact O-C 3.49Å; T1327-N1330 PolarHBondContact O-N 2.66Å; T1327-A1331 PolarHBondContact O-N 3.11Å
1328V46.5Very low57.2Low46 Ų4672.9 Ų72.928%0.27940%0.403SS..G310 helixtrans-47.3-40.5-172.1167.70000114.5V221 I1325 N1330V221-V1328 HydrophobicContact CB-CG2 4.1Å; V221-V1328 HydrophobicContact CG1-CG1 4.07Å; V221-V1328 WeakPolarHBondContact O-CG2 3.05Å; I1325-V1328 HydrophobicContact CG1-CG2 3.99Å; I1325-V1328 WeakPolarHBondContact O-CG2 3.09Å; V1328-N1330 VanDerWaalsContact C-N 3.33Å; V1328-N1330 PolarHBondContact O-N 3.46Å
1329Y43.7Very low58.1Low208 Ų20873.7 Ų73.782%0.81641%0.406SS*.G310 helixtrans-73.3-19.1179.9-93.4-90.9000115T1327T1327-Y1329 VanDerWaalsContact C-N 3.27Å; T1327-Y1329 PolarHBondContact O-N 2.81Å
1330N41.4Very low59.1Low142 Ų14267.7 Ų67.776%0.75938%0.38SS*.G310 helixtrans-125.117.3-179.9-82.1-33.3000112.3T1327 V1328T1327-N1330 HydrophobicContact CG2-CB 4.26Å; T1327-N1330 CarbonylContact O-C 3.49Å; T1327-N1330 PolarHBondContact O-N 2.66Å; V1328-N1330 VanDerWaalsContact C-N 3.33Å; V1328-N1330 PolarHBondContact O-N 3.46Å
1331A42.8Very low60.8Low23 Ų2365.5 Ų65.519%0.1937%0.367CS..  trans-59.5124-179.500000109.6T1327 A1333T1327-A1331 PolarHBondContact O-N 3.11Å; A1331-A1333 PolarHBondContact O-N 3.1Å
1332P48.8Very low62.7Low83 Ų8365.7 Ų65.754%0.53936%0.363SS..  trans-68.5101.6179.527.1-33000109H1334P1332-H1334 PolarHBondContact O-N 3.43Å; P1332-H1334 VanDerWaalsContact O-N 3.13Å
1333A53.7Low64.7Low22 Ų2262.8 Ų62.818%0.18234%0.34CS..  trans-47.8122.2174.400000109.2M1186 R1250 A1331 N1335M1186-A1333 HydrophobicContact SD-CB 4.22Å; R1250-A1333 PolarHBondContact NH2-O 3.17Å; A1331-A1333 PolarHBondContact O-N 3.1Å; A1333-N1335 PolarHBondContact O-N 3.15Å; A1333-N1335 PolarHBondContact O-OD1 2.76Å
1334H61.7Low67Low28 Ų2857.7 Ų57.713%0.1332%0.318CS..  trans-47.1127.7-168.7-100.7-124.3000111.2E1185 R1250 T1320 P1332 A1336E1185-H1334 VanDerWaalsContact OE2-O 3.09Å; R1250-H1334 PolarHBondContact NH1-O 2.9Å; R1250-H1334 PolarHBondContact NH2-O 3.08Å; T1320-H1334 PolarHBondContact OG1-CE1 3.39Å; P1332-H1334 PolarHBondContact O-N 3.43Å; P1332-H1334 VanDerWaalsContact O-N 3.13Å; H1334-A1336 VanDerWaalsContact C-N 3.26Å
1335N74.1Confident69.8Low98 Ų9854.2 Ų54.252%0.52429%0.293SS..  trans-93.625.8175.2-76.7-11.7000110.7R1250 A1333 S1338R1250-N1335 PolarHBondContact NH2-OD1 3.23Å; A1333-N1335 PolarHBondContact O-N 3.15Å; A1333-N1335 PolarHBondContact O-OD1 2.76Å; N1335-S1338 WeakPolarHBondContact O-CB 3.31Å; N1335-S1338 PolarHBondContact O-N 2.86Å
1336A81.5Confident72.1Confident1 Ų151.5 Ų51.51%0.00829%0.285CS..Hα-helixtrans-68.9-48.1-169.700000111.3R1313 Q1316 I1317 H1334 S1338 M1339R1313-A1336 HydrophobicContact CG-CB 4.04Å; Q1316-A1336 HydrophobicContact CB-CB 4.43Å; I1317-A1336 HydrophobicContact CD1-CB 4.24Å; I1317-A1336 HydrophobicContact CG1-CB 3.6Å; H1334-A1336 VanDerWaalsContact C-N 3.26Å; A1336-S1338 PolarHBondContact O-N 2.83Å; A1336-M1339 PolarHBondContact O-N 3.23Å
1337S86.8Confident74.8Confident0 Ų047 Ų470%025%0.254CS..Hα-helixtrans-57.4-34.4171.861.70000112.9L1182 E1185 M1339 A1340 F1341L1182-S1337 WeakPolarHBondContact CD1-OG 3.27Å; E1185-S1337 WeakPolarHBondContact OE1-CB 3.41Å; E1185-S1337 PolarHBondContact OE1-N 3.4Å; E1185-S1337 VanDerWaalsContact OE2-CB 3.3Å; E1185-S1337 WeakPolarHBondContact OE2-CB 3.43Å; E1185-S1337 PolarHBondContact OE2-N 2.99Å; E1185-S1337 PolarHBondContact OE2-OG 3.29Å; S1337-M1339 PolarHBondContact O-N 3.16Å; S1337-M1339 VanDerWaalsContact O-N 3.09Å; S1337-A1340 VanDerWaalsContact O-CB 3.29Å; S1337-A1340 WeakPolarHBondContact O-CB 3.36Å; S1337-A1340 PolarHBondContact O-N 3.2Å; S1337-F1341 WeakPolarHBondContact O-CD2 3.01Å; S1337-F1341 PolarHBondContact O-N 2.8Å
1338S89.4Confident77.1Confident12 Ų1244 Ų448%0.08424%0.235CC..Hα-helixtrans-56.3-31.2-175.5-51.70000114.1N1335 A1336 A1340 F1341 I1342N1335-S1338 WeakPolarHBondContact O-CB 3.31Å; N1335-S1338 PolarHBondContact O-N 2.86Å; A1336-S1338 PolarHBondContact O-N 2.83Å; S1338-A1340 VanDerWaalsContact C-N 3.33Å; S1338-A1340 PolarHBondContact O-N 3.25Å; S1338-F1341 PolarHBondContact O-N 3.27Å; S1338-I1342 WeakPolarHBondContact O-CG1 3.3Å; S1338-I1342 PolarHBondContact O-N 3Å
1339M89.1Confident79.5Confident76 Ų7646.2 Ų46.237%0.37424%0.241SC..Hα-helixtrans-64.5-35.9175.6-71.8-63-167.300112.6L1312 Q1316 A1336 S1337 I1342 F1343L1312-M1339 HydrophobicContact CB-CB 4.41Å; Q1316-M1339 HydrophobicContact CB-CG 4.23Å; Q1316-M1339 HydrophobicContact CG-CG 4.04Å; A1336-M1339 PolarHBondContact O-N 3.23Å; S1337-M1339 PolarHBondContact O-N 3.16Å; S1337-M1339 VanDerWaalsContact O-N 3.09Å; M1339-I1342 PolarHBondContact O-N 3.49Å; M1339-F1343 WeakPolarHBondContact O-CB 3.47Å; M1339-F1343 PolarHBondContact O-N 3.12Å
1340A92.6Very high81.9Confident0 Ų039 Ų390%022%0.219CC..Hα-helixtrans-65.3-38.9174.700000112.1V1174 M1178 A1309 S1337 S1338 S1344V1174-A1340 HydrophobicContact CG1-CB 4.14Å; M1178-A1340 HydrophobicContact CG-CB 4.17Å; M1178-A1340 HydrophobicContact SD-CB 4.22Å; A1309-A1340 HydrophobicContact CB-CB 3.89Å; S1337-A1340 VanDerWaalsContact O-CB 3.29Å; S1337-A1340 WeakPolarHBondContact O-CB 3.36Å; S1337-A1340 PolarHBondContact O-N 3.2Å; S1338-A1340 VanDerWaalsContact C-N 3.33Å; S1338-A1340 PolarHBondContact O-N 3.25Å; A1340-S1344 WeakPolarHBondContact O-CB 3.46Å; A1340-S1344 PolarHBondContact O-N 2.9Å
1341F94.8Very high84.5Confident0 Ų032.2 Ų32.20%018%0.183CC..Hα-helixtrans-69.6-38.5175.8-71.6-85.7000112.4P1175 M1178 L1179 L1182 V1243 L1246 P1247 S1337 S1338 S1344 A1345P1175-F1341 HydrophobicContact CB-CE1 4.04Å; M1178-F1341 HydrophobicContact CB-CE2 3.93Å; M1178-F1341 HydrophobicContact CB-CZ 3.93Å; L1179-F1341 HydrophobicContact CD1-CE1 3.84Å; L1179-F1341 HydrophobicContact CD1-CZ 4Å; L1182-F1341 HydrophobicContact CB-CE2 3.86Å; L1182-F1341 HydrophobicContact CB-CZ 4.19Å; L1182-F1341 HydrophobicContact CD1-CE2 4.4Å; L1182-F1341 HydrophobicContact CD2-CD2 4.36Å; L1182-F1341 HydrophobicContact CD2-CE1 4.36Å; L1182-F1341 HydrophobicContact CD2-CE2 3.83Å; L1182-F1341 HydrophobicContact CD2-CZ 3.82Å; L1182-F1341 HydrophobicContact CG-CE2 4.24Å; V1243-F1341 HydrophobicContact CG1-CD1 4.23Å; V1243-F1341 WeakPolarHBondContact CG1-O 3.37Å; L1246-F1341 HydrophobicContact CB-CD1 4.23Å; L1246-F1341 HydrophobicContact CB-CE1 4.48Å; L1246-F1341 HydrophobicContact CD1-CD1 3.97Å; L1246-F1341 HydrophobicContact CD1-CE1 3.8Å; P1247-F1341 HydrophobicContact CG-CB 3.92Å; S1337-F1341 WeakPolarHBondContact O-CD2 3.01Å; S1337-F1341 PolarHBondContact O-N 2.8Å; S1338-F1341 PolarHBondContact O-N 3.27Å; F1341-S1344 PolarHBondContact O-N 3.37Å; F1341-A1345 WeakPolarHBondContact O-CB 3.43Å; F1341-A1345 PolarHBondContact O-N 3.27Å
1342I94.6Very high86.9Confident78 Ų7831.5 Ų31.540%0.418%0.176SC..Hα-helixtrans-64.1-43174.7-68164.2000110.9S1338 M1339 A1345 S1346S1338-I1342 WeakPolarHBondContact O-CG1 3.3Å; S1338-I1342 PolarHBondContact O-N 3Å; M1339-I1342 PolarHBondContact O-N 3.49Å; I1342-A1345 PolarHBondContact O-N 2.73Å; I1342-S1346 WeakPolarHBondContact O-CB 3.34Å; I1342-S1346 PolarHBondContact O-N 2.92Å; I1342-S1346 PolarHBondContact O-OG 3.4Å
1343F95.7Very high89Confident40 Ų4032.1 Ų32.118%0.17517%0.174CC..Hα-helixtrans-60.1-47.3172.5168.3-105.6000112.4L1170 V1174 V1308 A1309 L1312 M1339 A1345 S1346 A1347L1170-F1343 HydrophobicContact CD1-CZ 4.24Å; L1170-F1343 HydrophobicContact CD2-CE2 4.28Å; L1170-F1343 HydrophobicContact CD2-CZ 3.9Å; L1170-F1343 HydrophobicContact CG-CE1 4.42Å; L1170-F1343 HydrophobicContact CG-CZ 3.83Å; V1174-F1343 HydrophobicContact CG2-CE1 4.5Å; V1308-F1343 HydrophobicContact CB-CE1 4.42Å; V1308-F1343 HydrophobicContact CB-CZ 4.24Å; V1308-F1343 HydrophobicContact CG1-CE1 4.06Å; V1308-F1343 HydrophobicContact CG1-CE2 3.96Å; V1308-F1343 HydrophobicContact CG1-CZ 3.65Å; A1309-F1343 HydrophobicContact CB-CD1 4.19Å; A1309-F1343 HydrophobicContact CB-CE1 4.46Å; L1312-F1343 HydrophobicContact CD1-CB 3.73Å; L1312-F1343 HydrophobicContact CD1-CD1 4.41Å; L1312-F1343 HydrophobicContact CD1-CD2 3.99Å; L1312-F1343 HydrophobicContact CD1-CG 3.79Å; M1339-F1343 WeakPolarHBondContact O-CB 3.47Å; M1339-F1343 PolarHBondContact O-N 3.12Å; F1343-A1345 PolarHBondContact O-N 3.32Å; F1343-S1346 PolarHBondContact O-N 3.35Å; F1343-S1346 PolarHBondContact O-OG 2.88Å; F1343-A1347 PolarHBondContact O-N 3.46Å; F1343-A1347 VanDerWaalsContact O-N 3.08Å
1344S96.1Very high90.8Very high0 Ų033 Ų330%018%0.176CC..Hα-helixtrans-59.1-46.7176.41770000112.1G1171 P1175 A1340 F1341 S1346 A1347 L1348G1171-S1344 PolarHBondContact O-OG 2.94Å; P1175-S1344 WeakPolarHBondContact CD-OG 3.44Å; A1340-S1344 WeakPolarHBondContact O-CB 3.46Å; A1340-S1344 PolarHBondContact O-N 2.9Å; F1341-S1344 PolarHBondContact O-N 3.37Å; S1344-S1346 PolarHBondContact O-N 3.13Å; S1344-A1347 PolarHBondContact O-N 3.15Å; S1344-L1348 WeakPolarHBondContact O-CD1 3.46Å; S1344-L1348 WeakPolarHBondContact O-CG 3.16Å; S1344-L1348 PolarHBondContact O-N 3.37Å; S1344-L1348 VanDerWaalsContact O-N 3.11Å
1345A96.7Very high91.9Very high3 Ų331.7 Ų31.73%0.02517%0.17CC..Hα-helixtrans-64.2-37.9178.600000113S1240 V1243 F1244 F1341 I1342 F1343 F1349S1240-A1345 PolarHBondContact OG-O 3.12Å; V1243-A1345 HydrophobicContact CB-CB 4.28Å; V1243-A1345 HydrophobicContact CG1-CB 3.99Å; F1244-A1345 HydrophobicContact CB-CB 3.9Å; F1244-A1345 HydrophobicContact CD2-CB 4.4Å; F1341-A1345 WeakPolarHBondContact O-CB 3.43Å; F1341-A1345 PolarHBondContact O-N 3.27Å; I1342-A1345 PolarHBondContact O-N 2.73Å; F1343-A1345 PolarHBondContact O-N 3.32Å; A1345-F1349 WeakPolarHBondContact O-CB 3.16Å; A1345-F1349 PolarHBondContact O-N 3.06Å
1346S96.8Very high92.5Very high58 Ų5830 Ų3041%0.40617%0.165SC..Hα-helixtrans-71.3-37.1179710000112.7I1342 F1343 S1344 F1349 T1350I1342-S1346 WeakPolarHBondContact O-CB 3.34Å; I1342-S1346 PolarHBondContact O-N 2.92Å; I1342-S1346 PolarHBondContact O-OG 3.4Å; F1343-S1346 PolarHBondContact O-N 3.35Å; F1343-S1346 PolarHBondContact O-OG 2.88Å; S1344-S1346 PolarHBondContact O-N 3.13Å; S1346-F1349 PolarHBondContact O-N 3.49Å; S1346-T1350 WeakPolarHBondContact O-CB 3.32Å; S1346-T1350 PolarHBondContact O-N 2.9Å; S1346-T1350 PolarHBondContact O-OG1 2.83Å
1347A96.6Very high92.7Very high5 Ų532 Ų324%0.04118%0.177CC..Hα-helixtrans-64.1-43.6173.100000111.6M1167 L1170 F1343 S1344 T1350 S1351M1167-A1347 WeakPolarHBondContact O-CB 3.3Å; L1170-A1347 HydrophobicContact CB-CB 4.43Å; L1170-A1347 HydrophobicContact CD2-CB 4.34Å; F1343-A1347 PolarHBondContact O-N 3.46Å; F1343-A1347 VanDerWaalsContact O-N 3.08Å; S1344-A1347 PolarHBondContact O-N 3.15Å; A1347-T1350 PolarHBondContact O-N 2.81Å; A1347-S1351 WeakPolarHBondContact O-CB 3.31Å; A1347-S1351 PolarHBondContact O-N 3.19Å
1348L95.8Very high92.5Very high0 Ų032 Ų320%018%0.178CC..Hα-helixtrans-64.3-39174.1-70.8164000112.7L1172 L1236 T1239 V1243 S1344 S1351 C1352L1172-L1348 HydrophobicContact CB-CD2 4.28Å; L1236-L1348 HydrophobicContact CD2-CD2 4.2Å; T1239-L1348 HydrophobicContact CG2-CD1 4Å; T1239-L1348 HydrophobicContact CG2-CD2 4.34Å; V1243-L1348 HydrophobicContact CB-CD1 4.42Å; V1243-L1348 HydrophobicContact CG2-CD1 3.93Å; S1344-L1348 WeakPolarHBondContact O-CD1 3.46Å; S1344-L1348 WeakPolarHBondContact O-CG 3.16Å; S1344-L1348 PolarHBondContact O-N 3.37Å; S1344-L1348 VanDerWaalsContact O-N 3.11Å; L1348-S1351 WeakPolarHBondContact O-CB 3.37Å; L1348-S1351 PolarHBondContact O-N 3.02Å; L1348-C1352 PolarHBondContact O-N 3.49Å; L1348-C1352 VanDerWaalsContact O-N 3.13Å
1349F96.4Very high92Very high93 Ų9334.7 Ų34.741%0.40819%0.186SC..Hα-helixtrans-66.1-44.6175.4-170.2-110.7000111.8L1237 A1345 S1346 S1351 C1352 L1353L1237-F1349 HydrophobicContact CD1-CE2 4.32Å; A1345-F1349 WeakPolarHBondContact O-CB 3.16Å; A1345-F1349 PolarHBondContact O-N 3.06Å; S1346-F1349 PolarHBondContact O-N 3.49Å; F1349-S1351 VanDerWaalsContact C-N 3.29Å; F1349-S1351 PolarHBondContact O-N 3Å; F1349-C1352 WeakPolarHBondContact O-CB 3.39Å; F1349-C1352 PolarHBondContact O-N 3.26Å; F1349-C1352 VanDerWaalsContact O-N 3.1Å; F1349-L1353 HydrophobicContact CD1-CD1 3.95Å; F1349-L1353 HydrophobicContact CD1-CG 4.29Å; F1349-L1353 HydrophobicContact CE1-CD1 3.72Å; F1349-L1353 HydrophobicContact CE1-CD2 4.26Å; F1349-L1353 HydrophobicContact CE1-CG 4.07Å; F1349-L1353 HydrophobicContact CZ-CD2 4.26Å; F1349-L1353 HydrophobicContact CZ-CG 4.46Å; F1349-L1353 PolarHBondContact O-N 2.67Å
1350T95.4Very high91.6Very high57 Ų5738 Ų3835%0.3519%0.194SC..Hα-helixtrans-61.4-38.7175.7-57.60000111.4M1167 S1346 A1347 C1352 L1353 L1354M1167-T1350 HydrophobicContact CG-CG2 4.26Å; M1167-T1350 HydrophobicContact SD-CG2 4.47Å; S1346-T1350 WeakPolarHBondContact O-CB 3.32Å; S1346-T1350 PolarHBondContact O-N 2.9Å; S1346-T1350 PolarHBondContact O-OG1 2.83Å; A1347-T1350 PolarHBondContact O-N 2.81Å; T1350-C1352 PolarHBondContact O-N 2.75Å; T1350-L1353 PolarHBondContact O-N 3.49Å; T1350-L1354 HydrophobicContact CG2-CD1 4.14Å; T1350-L1354 WeakPolarHBondContact O-CG 3.37Å; T1350-L1354 PolarHBondContact O-N 3.06Å
1351S94.6Very high90.9Very high0 Ų039.1 Ų39.10%020%0.2CC..Hα-helixtrans-57.8-45.1171.6-179.10000112.5S1164 A1168 A1347 L1348 F1349 L1354 G1355S1164-S1351 WeakPolarHBondContact O-CB 3.43Å; S1164-S1351 PolarHBondContact O-OG 3.29Å; S1164-S1351 PolarHBondContact OG-O 3.19Å; S1164-S1351 PolarHBondContact OG-OG 2.95Å; A1168-S1351 WeakPolarHBondContact CB-OG 3.35Å; A1347-S1351 WeakPolarHBondContact O-CB 3.31Å; A1347-S1351 PolarHBondContact O-N 3.19Å; L1348-S1351 WeakPolarHBondContact O-CB 3.37Å; L1348-S1351 PolarHBondContact O-N 3.02Å; F1349-S1351 VanDerWaalsContact C-N 3.29Å; F1349-S1351 PolarHBondContact O-N 3Å; S1351-L1354 PolarHBondContact O-N 2.85Å; S1351-G1355 PolarHBondContact O-N 2.91Å
1352C93.5Very high90Very high7 Ų740.2 Ų40.25%0.04721%0.208CC..Hα-helixtrans-62.2-45.4175-175.50000112.2N1233 L1236 L1348 F1349 T1350 L1354 G1355 C1356N1233-C1352 PolarHBondContact O-SG 3.07Å; L1236-C1352 HydrophobicContact CB-CB 4.13Å; L1348-C1352 PolarHBondContact O-N 3.49Å; L1348-C1352 VanDerWaalsContact O-N 3.13Å; F1349-C1352 WeakPolarHBondContact O-CB 3.39Å; F1349-C1352 PolarHBondContact O-N 3.26Å; F1349-C1352 VanDerWaalsContact O-N 3.1Å; T1350-C1352 PolarHBondContact O-N 2.75Å; C1352-L1354 VanDerWaalsContact C-N 3.31Å; C1352-L1354 PolarHBondContact O-N 3.33Å; C1352-G1355 WeakPolarHBondContact O-CA 3.21Å; C1352-G1355 PolarHBondContact O-N 3.23Å; C1352-C1356 PolarHBondContact O-N 3.05Å; C1352-C1356 PolarHBondContact O-SG 3.12Å
1353L93.2Very high88.9Confident97 Ų9743.4 Ų43.451%0.50822%0.219SC..Hα-helixtrans-59.1-41.6178.1-68177.8000112.1F1349 T1350 G1355 P1357F1349-L1353 HydrophobicContact CD1-CD1 3.95Å; F1349-L1353 HydrophobicContact CD1-CG 4.29Å; F1349-L1353 HydrophobicContact CE1-CD1 3.72Å; F1349-L1353 HydrophobicContact CE1-CD2 4.26Å; F1349-L1353 HydrophobicContact CE1-CG 4.07Å; F1349-L1353 HydrophobicContact CZ-CD2 4.26Å; F1349-L1353 HydrophobicContact CZ-CG 4.46Å; F1349-L1353 PolarHBondContact O-N 2.67Å; T1350-L1353 PolarHBondContact O-N 3.49Å; L1353-G1355 VanDerWaalsContact C-N 3.31Å; L1353-P1357 WeakPolarHBondContact O-CD 3.39Å
1354L90.8Very high87.3Confident41 Ų4148.1 Ų48.122%0.21524%0.235CC..Hα-helixtrans-71-25174.5-67.6169.3000113.1F1160 F1163 M1167 T1350 S1351 C1352 P1357F1160-L1354 HydrophobicContact CD1-CD2 4.44Å; F1160-L1354 HydrophobicContact CE1-CD2 4.37Å; F1163-L1354 HydrophobicContact CD1-CD1 3.66Å; F1163-L1354 HydrophobicContact CE1-CD1 4.37Å; M1167-L1354 HydrophobicContact CG-CD1 4.16Å; T1350-L1354 HydrophobicContact CG2-CD1 4.14Å; T1350-L1354 WeakPolarHBondContact O-CG 3.37Å; T1350-L1354 PolarHBondContact O-N 3.06Å; S1351-L1354 PolarHBondContact O-N 2.85Å; C1352-L1354 VanDerWaalsContact C-N 3.31Å; C1352-L1354 PolarHBondContact O-N 3.33Å; L1354-P1357 WeakPolarHBondContact O-CD 3.29Å
1355G85.7Confident85.4Confident0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-75.3-31.3175.600000113.8N1233 S1351 C1352 L1353 L1358N1233-G1355 PolarHBondContact ND2-O 2.93Å; S1351-G1355 PolarHBondContact O-N 2.91Å; C1352-G1355 WeakPolarHBondContact O-CA 3.21Å; C1352-G1355 PolarHBondContact O-N 3.23Å; L1353-G1355 VanDerWaalsContact C-N 3.31Å; G1355-L1358 WeakPolarHBondContact O-CB 3.34Å; G1355-L1358 PolarHBondContact O-N 3.18Å
1356C86.1Confident83Confident63 Ų6357.4 Ų57.443%0.42629%0.288SS..THydrogen-bonded Turntrans-54.5-50.3179.7-71.10000115.1N1233 C1352 L1358N1233-C1356 PolarHBondContact ND2-N 2.9Å; C1352-C1356 PolarHBondContact O-N 3.05Å; C1352-C1356 PolarHBondContact O-SG 3.12Å; C1356-L1358 PolarHBondContact O-N 3.05Å
1357P85.3Confident80Confident41 Ų4159.1 Ų59.127%0.26630%0.3SS..THydrogen-bonded Turntrans-69.6-12.8-177.426.7-36000114.8F1160 L1353 L1354 R1359 W1360 L1361F1160-P1357 HydrophobicContact CD1-CG 4.04Å; F1160-P1357 HydrophobicContact CE1-CG 4.12Å; L1353-P1357 WeakPolarHBondContact O-CD 3.39Å; L1354-P1357 WeakPolarHBondContact O-CD 3.29Å; P1357-R1359 VanDerWaalsContact C-N 3.34Å; P1357-R1359 PolarHBondContact O-N 2.72Å; P1357-W1360 WeakPolarHBondContact O-CB 3.46Å; P1357-W1360 PolarHBondContact O-N 2.98Å; P1357-L1361 HydrophobicContact CB-CD1 4.23Å; P1357-L1361 HydrophobicContact CB-CG 4.43Å; P1357-L1361 PolarHBondContact O-N 2.76Å
1358L83.4Confident77Confident2 Ų265 Ų651%0.0133%0.331CS..Hα-helixtrans-58.9-37.5-172.4-75.5170.2000114T1157 F1160 F1161 L1229 G1355 C1356 W1360 L1361 S1362T1157-L1358 HydrophobicContact CG2-CD2 4Å; T1157-L1358 VanDerWaalsContact O-CD2 3.3Å; T1157-L1358 WeakPolarHBondContact O-CD2 3.31Å; F1160-L1358 HydrophobicContact CB-CD2 3.68Å; F1160-L1358 HydrophobicContact CB-CG 4.49Å; F1161-L1358 HydrophobicContact CB-CD1 3.94Å; F1161-L1358 HydrophobicContact CB-CD2 3.94Å; F1161-L1358 HydrophobicContact CD2-CD1 3.88Å; F1161-L1358 HydrophobicContact CG-CD1 4.34Å; L1229-L1358 HydrophobicContact CD1-CB 3.77Å; L1229-L1358 HydrophobicContact CD1-CD1 3.92Å; L1229-L1358 HydrophobicContact CD2-CB 3.81Å; L1229-L1358 HydrophobicContact CG-CB 4.4Å; G1355-L1358 WeakPolarHBondContact O-CB 3.34Å; G1355-L1358 PolarHBondContact O-N 3.18Å; C1356-L1358 PolarHBondContact O-N 3.05Å; L1358-W1360 PolarHBondContact O-N 2.91Å; L1358-L1361 PolarHBondContact O-N 2.91Å; L1358-S1362 WeakPolarHBondContact O-CB 3.45Å; L1358-S1362 PolarHBondContact O-N 2.76Å
1359R79.7Confident73.8Confident68 Ų6872.5 Ų72.526%0.25736%0.363SS..Hα-helixtrans-66.8-28.5178.5-151.266.4171.2161.8-1.2112.3D1227 L1229 E1280 P1357 K1363D1227-R1359 IonicContact OD1-CZ 3.31Å; D1227-R1359 IonicContact OD1-NE 2.95Å; D1227-R1359 IonicContact OD1-NH2 2.85Å; D1227-R1359 PolarHBondContact OD1-NH2 3.11Å; D1227-R1359 IonicContact OD2-CZ 2.88Å; D1227-R1359 IonicContact OD2-NE 2.74Å; D1227-R1359 PolarHBondContact OD2-NE 2.86Å; D1227-R1359 IonicContact OD2-NH2 3.71Å; D1227-R1359 PolarHBondContact OD2-NH2 3.04Å; L1229-R1359 HydrophobicContact CD2-CB 3.62Å; L1229-R1359 HydrophobicContact CD2-CG 4.37Å; E1280-R1359 IonicContact OE2-NH1 2.67Å; E1280-R1359 PolarHBondContact OE2-NH1 2.97Å; P1357-R1359 VanDerWaalsContact C-N 3.34Å; P1357-R1359 PolarHBondContact O-N 2.72Å; R1359-K1363 WeakPolarHBondContact O-CG 3.4Å; R1359-K1363 PolarHBondContact O-N 3.26Å
1360W79.7Confident70.5Confident144 Ų14472.4 Ų72.455%0.54537%0.372SS..Hα-helixtrans-85.8-41.4179.3179.492000111.5P1357 L1358 K1363 R1364P1357-W1360 WeakPolarHBondContact O-CB 3.46Å; P1357-W1360 PolarHBondContact O-N 2.98Å; L1358-W1360 PolarHBondContact O-N 2.91Å; W1360-K1363 PolarHBondContact O-N 2.93Å; W1360-R1364 VanDerWaalsContact CH2-CZ 3.4Å; W1360-R1364 VanDerWaalsContact CH2-NH1 3.3Å; W1360-R1364 VanDerWaalsContact CZ2-NE 3.3Å; W1360-R1364 PolarHBondContact O-N 3.26Å
1361L78.7Confident67.3Low24 Ų2477 Ų7713%0.12639%0.393CS..Hα-helixtrans-60.8-44.7171.7-69.7174000111.6T1157 F1160 P1357 L1358 K1363 R1364 G1365T1157-L1361 HydrophobicContact CG2-CB 4.43Å; F1160-L1361 HydrophobicContact CB-CD1 4.09Å; F1160-L1361 HydrophobicContact CD1-CD1 4.07Å; F1160-L1361 HydrophobicContact CD2-CD1 3.69Å; F1160-L1361 HydrophobicContact CE1-CD1 4.44Å; F1160-L1361 HydrophobicContact CE2-CD1 4.1Å; F1160-L1361 HydrophobicContact CG-CD1 3.67Å; F1160-L1361 HydrophobicContact CZ-CD1 4.45Å; P1357-L1361 HydrophobicContact CB-CD1 4.23Å; P1357-L1361 HydrophobicContact CB-CG 4.43Å; P1357-L1361 PolarHBondContact O-N 2.76Å; L1358-L1361 PolarHBondContact O-N 2.91Å; L1361-K1363 PolarHBondContact O-N 3.24Å; L1361-R1364 PolarHBondContact O-N 2.74Å; L1361-G1365 PolarHBondContact O-N 3.48Å
1362S74.5Confident64.1Low23 Ų2381.4 Ų81.416%0.16142%0.423CS..Hα-helixtrans-54.7-49.6173.9169.90000112L1358 R1364 G1365 F1366L1358-S1362 WeakPolarHBondContact O-CB 3.45Å; L1358-S1362 PolarHBondContact O-N 2.76Å; S1362-R1364 PolarHBondContact O-N 3.1Å; S1362-G1365 PolarHBondContact O-N 2.84Å; S1362-F1366 PolarHBondContact O-N 2.75Å
1363K72.1Confident60.8Low145 Ų14585.7 Ų85.763%0.6345%0.453SS*.Hα-helixtrans-63.3-40.1177.1-72.9177.8-179.8-176.60112.6R1359 W1360 L1361 F1366 S1367R1359-K1363 WeakPolarHBondContact O-CG 3.4Å; R1359-K1363 PolarHBondContact O-N 3.26Å; W1360-K1363 PolarHBondContact O-N 2.93Å; L1361-K1363 PolarHBondContact O-N 3.24Å; K1363-F1366 PolarHBondContact O-N 2.84Å; K1363-S1367 WeakPolarHBondContact O-CB 3.38Å; K1363-S1367 PolarHBondContact O-N 3.16Å
1364R63.2Low57.5Low139 Ų13992 Ų9253%0.52547%0.472SS..Hα-helixtrans-65.7-37.3173.5-81.2-172.6162.6-157.2-3.3112.9W1360 L1361 S1362 F1366 S1367 N1368W1360-R1364 VanDerWaalsContact CH2-CZ 3.4Å; W1360-R1364 VanDerWaalsContact CH2-NH1 3.3Å; W1360-R1364 VanDerWaalsContact CZ2-NE 3.3Å; W1360-R1364 PolarHBondContact O-N 3.26Å; L1361-R1364 PolarHBondContact O-N 2.74Å; S1362-R1364 PolarHBondContact O-N 3.1Å; R1364-F1366 VanDerWaalsContact C-N 3.33Å; R1364-F1366 PolarHBondContact O-N 3.04Å; R1364-S1367 PolarHBondContact O-N 2.96Å; R1364-N1368 WeakPolarHBondContact O-CB 3.25Å; R1364-N1368 PolarHBondContact O-N 3.2Å
1365G55.6Low54.3Low42 Ų4295.2 Ų95.243%0.43349%0.489SS..Hα-helixtrans-61.4-38.3176.800000113.2L1361 S1362L1361-G1365 PolarHBondContact O-N 3.48Å; S1362-G1365 PolarHBondContact O-N 2.84Å
1366F46Very low51.5Low157 Ų157100.9 Ų100.969%0.68953%0.526SS*.Hα-helixtrans-71-43.1170.4-87.6-91.3000112.4S1362 K1363 R1364 N1368 K1369S1362-F1366 PolarHBondContact O-N 2.75Å; K1363-F1366 PolarHBondContact O-N 2.84Å; R1364-F1366 VanDerWaalsContact C-N 3.33Å; R1364-F1366 PolarHBondContact O-N 3.04Å; F1366-N1368 PolarHBondContact O-N 2.99Å; F1366-K1369 PolarHBondContact O-N 3.11Å
1367S33.4Very low48.6Very low94 Ų94102.4 Ų102.466%0.65753%0.534SS*.Hα-helixtrans-67.8-17.9-179.4-167.70000114.8K1363 R1364K1363-S1367 WeakPolarHBondContact O-CB 3.38Å; K1363-S1367 PolarHBondContact O-N 3.16Å; R1364-S1367 PolarHBondContact O-N 2.96Å
1368N34.6Very low45.7Very low129 Ų129109 Ų10969%0.6956%0.561SS**THydrogen-bonded Turntrans-101.63.9-177.9-79.19.5000114.1R1364 F1366 P1370R1364-N1368 WeakPolarHBondContact O-CB 3.25Å; R1364-N1368 PolarHBondContact O-N 3.2Å; F1366-N1368 PolarHBondContact O-N 2.99Å; N1368-P1370 WeakPolarHBondContact O-CD 3.47Å
1369K28.3Very low43Very low157 Ų157116.9 Ų116.968%0.68360%0.602SS**SBendtrans-66124.5155.9-77-172.8176.5-178.10107.1F1366F1366-K1369 PolarHBondContact O-N 3.11Å
1370P26Very low40.3Very low91 Ų91118.7 Ų118.759%0.59162%0.621SS**  trans-59.6148.3162.528.9-33.5000107.9N1368 S1372N1368-P1370 WeakPolarHBondContact O-CD 3.47Å; P1370-S1372 PolarHBondContact O-N 3.35Å
1371I28.8Very low37.8Very low153 Ų153117.4 Ų117.479%0.78563%0.631SS**  trans-69.581.9158.7-57.2175000105.6S1373I1371-S1373 PolarHBondContact O-N 3.36Å; I1371-S1373 VanDerWaalsContact O-N 3.15Å
1372S27.1Very low35.4Very low93 Ų93122.9 Ų122.965%0.6566%0.66SS**  trans-63108154.153.50000105P1370 Y1374P1370-S1372 PolarHBondContact O-N 3.35Å; S1372-Y1374 PolarHBondContact O-N 3.05Å
1373S25.2Very low33Very low96 Ų96129.4 Ų129.467%0.67169%0.688SS**  trans-46.4128.3177.938.50000109.6I1371 N1375I1371-S1373 PolarHBondContact O-N 3.36Å; I1371-S1373 VanDerWaalsContact O-N 3.15Å; S1373-N1375 PolarHBondContact O-N 2.83Å
1374Y24Very low30.8Very low229 Ų229128.3 Ų128.390%0.89869%0.693SS**  trans-74.973.9179.8-136.6-80.8000108.3S1372 P1376S1372-Y1374 PolarHBondContact O-N 3.05Å; Y1374-P1376 VanDerWaalsContact O-CD 3.27Å; Y1374-P1376 WeakPolarHBondContact O-CD 3.17Å; Y1374-P1376 VanDerWaalsContact O-N 3.17Å
1375N23.1Very low28.9Very low109 Ų109127.6 Ų127.658%0.58370%0.7SS**  trans-64.6112.5-173.9-15912.9000108S1373 T1377S1373-N1375 PolarHBondContact O-N 2.83Å; N1375-T1377 PolarHBondContact ND2-OG1 3.07Å; N1375-T1377 PolarHBondContact O-N 3.41Å; N1375-T1377 PolarHBondContact OD1-OG1 2.77Å; N1375-T1377 VanDerWaalsContact OD1-OG1 3.13Å
1376P26.2Very low27.6Very low120 Ų120132.3 Ų132.378%0.77971%0.71SS**THydrogen-bonded Turntrans-82.848.1-166.435.1-36.5000111.6Y1374Y1374-P1376 VanDerWaalsContact O-CD 3.27Å; Y1374-P1376 WeakPolarHBondContact O-CD 3.17Å; Y1374-P1376 VanDerWaalsContact O-N 3.17Å
1377T25.2Very low26.4Very low94 Ų94130.1 Ų130.158%0.57771%0.71SS**THydrogen-bonded Turntrans-143-8.4-165.735.40000114N1375N1375-T1377 PolarHBondContact ND2-OG1 3.07Å; N1375-T1377 PolarHBondContact O-N 3.41Å; N1375-T1377 PolarHBondContact OD1-OG1 2.77Å; N1375-T1377 VanDerWaalsContact OD1-OG1 3.13Å
1378E24.7Very low26.2Very low181 Ų181133.3 Ų133.385%0.84672%0.72SS**  trans-111.567.5169.9-72.6-163.3129.800112.4
1379L26.6Very low25.5Very low167 Ų167135.6 Ų135.687%0.87472%0.72SS**  trans-152.264.8152.4-147.183.6000111.8P1381L1379-P1381 WeakPolarHBondContact O-CD 3.31Å
1380V24.1Very low25.4Very low106 Ų106131.8 Ų131.864%0.64273%0.725SS**  trans-111.598.2168.6-1760000108.5N1382V1380-N1382 VanDerWaalsContact CG1-OD1 3.24Å; V1380-N1382 WeakPolarHBondContact CG1-OD1 3.35Å; V1380-N1382 PolarHBondContact O-N 3.37Å
1381P26.5Very low25.2Very low117 Ų117135.8 Ų135.876%0.7673%0.73SS**  trans-74.381.2167.431.7-32.7000108.7L1379 H1383L1379-P1381 WeakPolarHBondContact O-CD 3.31Å; P1381-H1383 PolarHBondContact O-N 3.27Å; P1381-H1383 VanDerWaalsContact O-N 3.1Å
1382N27.1Very low24.9Very low139 Ų139135.6 Ų135.674%0.74373%0.726SS**  trans-62.8113.4171-86.3-20.5000109.1V1380V1380-N1382 VanDerWaalsContact CG1-OD1 3.24Å; V1380-N1382 WeakPolarHBondContact CG1-OD1 3.35Å; V1380-N1382 PolarHBondContact O-N 3.37Å
1383H24.4Very low24.7Very low159 Ų159140.9 Ų140.974%0.73673%0.733SS**  trans-62.1174.5149.9-104.4-95000110P1381P1381-H1383 PolarHBondContact O-N 3.27Å; P1381-H1383 VanDerWaalsContact O-N 3.1Å
1384V25.6Very low24.6Very low123 Ų123141.5 Ų141.575%0.74573%0.729SS**  trans90.3114.5-164.8179.70000110
1385D24.6Very low24.6Very low123 Ų123133.5 Ų133.566%0.65870%0.703SS**  cis-156.7174.65.9-123.4-9.4000117
1386H26.9Very low24.7Very low142 Ų142131.2 Ų131.266%0.65769%0.691SS**  trans26.9113153.1-70.9-59.9000120.4
1387T22.8Very low24.6Very low111 Ų111129.5 Ų129.568%0.68168%0.682SS**  49.2105.183.168.20000116.4
1388N27.5Very low24.7Very low161 Ų161129 Ų12986%0.86168%0.68SS**  -163160.8109.6-108.2-22.3000113.6
1389Y21.7Very low24.7Very low176 Ų176126.7 Ų126.769%0.6968%0.678SS**  trans-74.5137.7161.7-81.5-152.9000108.5H1122H1122-Y1389 AromaticContact CD2-CE2 3.91Å; H1122-Y1389 AromaticContact CD2-CZ 3.57Å; H1122-Y1389 PolarHBondContact CD2-OH 2.92Å; H1122-Y1389 AromaticContact CE1-CD1 3.87Å; H1122-Y1389 AromaticContact CE1-CE1 3.36Å; H1122-Y1389 WeakPolarHBondContact CE1-CE1 3.26Å; H1122-Y1389 AromaticContact CE1-CZ 3.61Å; H1122-Y1389 AromaticContact CG-CZ 3.98Å; H1122-Y1389 AromaticContact ND1-CE1 3.9Å; H1122-Y1389 AromaticContact ND1-CZ 3.99Å; H1122-Y1389 AromaticContact NE2-CD1 3.96Å; H1122-Y1389 AromaticContact NE2-CE1 3.53Å; H1122-Y1389 AromaticContact NE2-CE2 3.62Å; H1122-Y1389 AromaticContact NE2-CZ 3.33Å; H1122-Y1389 VanDerWaalsContact NE2-CZ 3.33Å
1390G25.2Very low24.7Very low78 Ų78126.8 Ų126.880%0.80468%0.679SS**  trans-154.7121.917400000109.8
1391Y22.6Very low24.8Very low174 Ų174126.2 Ų126.268%0.68268%0.677SS**  trans-86.8167.5177.4-115.7-88.8000110.4L1126L1126-Y1391 HydrophobicContact CD2-CD2 4.33Å; L1126-Y1391 HydrophobicContact CD2-CE2 3.6Å; L1126-Y1391 HydrophobicContact CG-CE2 3.8Å; L1126-Y1391 WeakPolarHBondContact CG-OH 3.44Å
1392E22.1Very low24.7Very low150 Ų150126.1 Ų126.170%0.70168%0.675SS**  trans91.6114.1156.9-55-122.410800120.1
1393Y23Very low24.6Very low203 Ų203124.7 Ų124.780%0.79667%0.671SS**  trans54.7142.9138.5-70.3-86.3000123.6
1394N22.7Very low24.5Very low110 Ų110123.8 Ų123.859%0.58867%0.672SS**  trans-62.5161.2166.9-57.4-56.3000112.2L1044L1044-N1394 HydrophobicContact CD2-CB 4.06Å; L1044-N1394 HydrophobicContact CG-CB 4.25Å
1395T24.2Very low24.5Very low60 Ų60127.4 Ų127.437%0.36868%0.68SS.*  156.3166.911050.10000116.7L1044 Q1046L1044-T1395 CarbonylContact O-C 3.47Å; L1044-T1395 VanDerWaalsContact O-C 3.28Å; L1044-T1395 WeakPolarHBondContact O-CA 3.49Å; L1044-T1395 WeakPolarHBondContact O-CB 3.26Å; L1044-T1395 WeakPolarHBondContact O-CG2 3.21Å; Q1046-T1395 WeakPolarHBondContact CB-OG1 3.35Å; Q1046-T1395 HydrophobicContact CG-CG2 4.14Å; Q1046-T1395 VanDerWaalsContact CG-OG1 3.3Å; Q1046-T1395 WeakPolarHBondContact CG-OG1 3.48Å; Q1046-T1395 VanDerWaalsContact N-CB 3.33Å; Q1046-T1395 PolarHBondContact NE2-OG1 3.42Å; Q1046-T1395 CarbonylContact O-C 3.59Å; Q1046-T1395 VanDerWaalsContact O-C 3.27Å; Q1046-T1395 PolarHBondContact O-OG1 3.25Å
1396I24.7Very low24.4Very low61 Ų61130.3 Ų130.331%0.31369%0.69SS.*BIsolated β-bridgetrans-73144.4-172.1-42163.3000115.6G1043 L1044 Q1046 K1047G1043-I1396 WeakPolarHBondContact O-CD1 3.21Å; L1044-I1396 HydrophobicContact CB-CG1 3.99Å; L1044-I1396 PolarHBondContact O-N 2.88Å; Q1046-I1396 CarbonylContact C-O 3.59Å; Q1046-I1396 WeakPolarHBondContact CA-O 3.37Å; Q1046-I1396 PolarHBondContact N-O 3.41Å; Q1046-I1396 VanDerWaalsContact N-O 3.12Å; Q1046-I1396 CarbonylContact O-C 3.48Å; K1047-I1396 PolarHBondContact N-O 2.93Å
1397S24.9Very low24.3Very low85 Ų85133.4 Ų133.459%0.59470%0.697SS**  trans41.6171.4130.8-37.50000121.3K1047K1047-S1397 PolarHBondContact N-O 3.27Å; K1047-S1397 VanDerWaalsContact N-O 3.11Å; K1047-S1397 VanDerWaalsContact O-O 3.13Å
1398P27.6Very low24.4Very low84 Ų84138.3 Ų138.355%0.54571%0.705SS.*  -132.1168.378.514.68.4000114.8I1048I1048-P1398 HydrophobicContact CD1-CG 3.51Å; I1048-P1398 HydrophobicContact CG1-CG 3.36Å
1399T24.5Very low24.4Very low131 Ų131135.6 Ų135.680%0.80469%0.689SS**PPolyproline II helixtrans-69.1133.9167.648.40000112
1400L25.2Very low24.6Very low170 Ų170134.7 Ų134.789%0.8969%0.691SS**PPolyproline II helixtrans-90.9132.4157.4-168.573.7000108.7
1401P26.7Very low24.7Very low93 Ų93136.9 Ų136.960%0.60468%0.681SS**PPolyproline II helixtrans-94.6149.5-170.835.5-35.5000115.3
1402T23.7Very low24.8Very low115 Ų115135.9 Ų135.971%0.70668%0.682SS**  trans64.8115.314353.40000121.8
1403T25.3Very low25Very low110 Ų110136.3 Ų136.368%0.67568%0.684SS**  65.4145.1128.464.90000121.1
1404D22.8Very low25.1Very low140 Ų140134.7 Ų134.775%0.74969%0.688SS**  cis-164.4150.4-16.1-98.3-23.3000108.3
1405H25.5Very low25.3Very low199 Ų199132.7 Ų132.792%0.92169%0.694SS**  trans-155.3100.7163.8-104.1-43.6000112.7
1406E23.4Very low25.4Very low183 Ų183136.7 Ų136.786%0.85571%0.713SS**  trans-121.3142.3155.3-86.6-160.413900109.2
1407Y24Very low25.4Very low207 Ų207142 Ų14281%0.81274%0.739SS**  -175.8112.3129.1-113.5-64.3000113.2I1409Y1407-I1409 HydrophobicContact CD1-CG1 4.1Å
1408Y25.3Very low25.5Very low214 Ų214144.3 Ų144.384%0.83975%0.749SS**  trans-161.492.2141.5-112.9-82.9000106
1409I27.3Very low25.2Very low104 Ų104144.4 Ų144.453%0.53375%0.751SS.*  65.7116.191.5-70.5171.3000110.3Y1407Y1407-I1409 HydrophobicContact CD1-CG1 4.1Å
1410Q26.4Very low25.2Very low158 Ų158145.2 Ų145.274%0.73875%0.746SS**  cis-161.5165.29.1-99173.8-72.600108.2
1411Q26.1Very low25.1Very low124 Ų124145.7 Ų145.758%0.57974%0.737SS**  cis-177.4140.2-11.6162.1179.6-42.900110.9
1412Q25.7Very low24.9Very low153 Ų153149.1 Ų149.172%0.71575%0.745SS**  trans66149.2163.3-73.8163.1-21.500118.1
1413Q27.1Very low24.8Very low159 Ų159148.3 Ų148.374%0.74374%0.744SS**  cis-143.3125.54.4-121.5163.4-5.500108.3
1414L23.9Very low24.7Very low168 Ų168148.9 Ų148.988%0.8874%0.742SS**  72107.495.7-16978.8000115.4
1415G26.7Very low25Very low69 Ų69148.6 Ų148.671%0.71174%0.741SS**  trans16557.6170.600000120.8
1416N27.3Very low24.9Very low144 Ų144144.9 Ų144.977%0.7773%0.732SS**  trans47.8123.9151.6-65.9-1000123.4
1417M24.3Very low24.9Very low173 Ų173140.5 Ų140.585%0.85271%0.714SS**  trans68.8146.4139.6-66.8-161.2-48.800120.7
1418V26.8Very low24.9Very low132 Ų132134.4 Ų134.480%0.870%0.701SS**  cis-155.5161-31.1103.20000108.2
1419S22Very low24.8Very low86 Ų86129.6 Ų129.660%0.60169%0.687SS**  trans-77.8143.7-177.5520000114
1420E24.1Very low24.6Very low149 Ų149129.1 Ų129.170%0.69669%0.689SS**  71.9141.3128.4-169.5171.6-118.200119.4
1421Y23.5Very low24.5Very low179 Ų179126.1 Ų126.170%0.70269%0.691SS**  179.3157.9112.8-109.7-82.9000114.5
1422Q21.4Very low24.5Very low166 Ų166126.6 Ų126.678%0.77670%0.703SS**  trans-83.8147.3172-61.7176.6-63.700112.2
1423S22.9Very low24.4Very low97 Ų97126.7 Ų126.768%0.67871%0.708SS**  trans46.9119.5145.2630000120.9
1424I23Very low24.4Very low123 Ų123123.9 Ų123.963%0.63170%0.704SS**  -174.1152.4108.6-94.3156.2000109.5N1040N1040-I1424 WeakPolarHBondContact ND2-CD1 3.41Å
1425D28.5Very low24.5Very low134 Ų134123.4 Ų123.472%0.71770%0.7SS**  trans-66.1154.8-179.3-77.8-61.7000114.5
1426V23.2Very low24.4Very low121 Ų121125.1 Ų125.173%0.73370%0.701SS**  172.2127.8122.2151.70000112.4
1427N23.3Very low24.2Very low91 Ų91124.1 Ų124.149%0.48770%0.701SS.*  trans62.7145.7157.3-72.2-2.1000123.9N1489N1427-N1489 PolarHBondContact OD1-OD1 2.6Å
1428C23.3Very low24.2Very low79 Ų79121 Ų12153%0.53470%0.696SS.*  trans70.5103153-64.70000122.7S1487C1428-S1487 VanDerWaalsContact CA-OG 3.25Å; C1428-S1487 WeakPolarHBondContact CA-OG 3.37Å; C1428-S1487 PolarHBondContact N-O 3.33Å; C1428-S1487 PolarHBondContact N-OG 3.2Å; C1428-S1487 PolarHBondContact SG-N 2.89Å; C1428-S1487 PolarHBondContact SG-O 2.85Å
1429M23.3Very low24.1Very low112 Ų112122 Ų12255%0.55269%0.685SS**  trans-47.7158.7136.4-67168.158.900112.4S1486 S1487M1429-S1486 CarbonylContact O-C 3.58Å; M1429-S1487 PolarHBondContact N-OG 3.41Å
1430T24.2Very low24.2Very low94 Ų94127.6 Ų127.658%0.57769%0.693SS**  cis-142.4146.5444.10000110.7Q1485T1430-Q1485 PolarHBondContact OG1-O 3.28Å
1431A23Very low24.3Very low95 Ų95126.6 Ų126.679%0.78570%0.697SS**  trans-158.7111.9141.800000112
1432V26.1Very low24.5Very low135 Ų135122.6 Ų122.682%0.81869%0.688SS**  trans40.698144.9-171.30000118.2
1433D25.5Very low24.9Very low154 Ų154120 Ų12082%0.82468%0.683SS**  trans-54144.2149-84.7-55.3000110.4
1434P27.2Very low25.2Very low101 Ų101121.3 Ų121.366%0.65669%0.686SS**  -142.7138.193.836.1-20.7000116
1435I24.2Very low25.4Very low157 Ų157121.2 Ų121.281%0.80569%0.687SS**  46.8121.8120.3-53.2168.7000116
1436S25.2Very low25.3Very low105 Ų105120 Ų12073%0.73469%0.69SS**  cis-153.3163.828.336.30000115.7
1437T24.3Very low25.4Very low123 Ų123122.1 Ų122.176%0.75569%0.691SS**  trans-30.6146.2158.553.20000117.8
1438S23.1Very low25.6Very low107 Ų107128.1 Ų128.175%0.74871%0.708SS**  46.2143.7119.1-140.40000118.6
1439R24.3Very low25.9Very low153 Ų153128.4 Ų128.458%0.57772%0.717SS**  cis-172.5169.343.2-170.7-170.7-83-173.8-6.1107.3F1696R1439-F1696 PolarHBondContact NH1-O 2.95Å
1440R25Very low26.1Very low205 Ų205128.6 Ų128.677%0.77472%0.724SS**  trans-145.6126.4147.1-147.7155.2-175.8163.9-3.5114.4D1442R1440-D1442 WeakPolarHBondContact CG-OD1 3.45Å; R1440-D1442 IonicContact CZ-OD1 2.8Å; R1440-D1442 IonicContact CZ-OD2 3.87Å; R1440-D1442 IonicContact NE-OD1 2.82Å; R1440-D1442 PolarHBondContact NE-OD1 3.49Å; R1440-D1442 IonicContact NE-OD2 2.97Å; R1440-D1442 PolarHBondContact NE-OD2 3.38Å; R1440-D1442 IonicContact NH2-OD1 3.51Å; R1440-D1442 IonicContact NH2-OD2 3.86Å; R1440-D1442 PolarHBondContact NH2-OD2 2.98Å
1441V26Very low26.4Very low128 Ų128130.7 Ų130.778%0.77673%0.732SS**  trans-136.3124.9162.2174.20000103.6
1442D26.7Very low26.6Very low94 Ų94134.3 Ų134.350%0.50373%0.732SS.*  trans-141149.3-170.8-90.939.9000107.9R1440R1440-D1442 WeakPolarHBondContact CG-OD1 3.45Å; R1440-D1442 IonicContact CZ-OD1 2.8Å; R1440-D1442 IonicContact CZ-OD2 3.87Å; R1440-D1442 IonicContact NE-OD1 2.82Å; R1440-D1442 PolarHBondContact NE-OD1 3.49Å; R1440-D1442 IonicContact NE-OD2 2.97Å; R1440-D1442 PolarHBondContact NE-OD2 3.38Å; R1440-D1442 IonicContact NH2-OD1 3.51Å; R1440-D1442 IonicContact NH2-OD2 3.86Å; R1440-D1442 PolarHBondContact NH2-OD2 2.98Å
1443V31.3Very low27Very low112 Ų112132.7 Ų132.768%0.67972%0.724SS**  cis-164.4-160.7-18.391.60000107.7
1444V28.9Very low27Very low124 Ų124131.2 Ų131.275%0.75272%0.721SS**  trans113.3122.6158.8-1790000114.9
1445D26.2Very low27.2Very low121 Ų121132.2 Ų132.265%0.64773%0.725SS**  cis-171.5154.7-24.2-102-31.9000109.9
1446S26.5Very low27.3Very low110 Ų110130.6 Ų130.677%0.76972%0.722SS**  trans179.3119.4130.8620000115.3
1447H26.2Very low27.7Very low164 Ų164131.1 Ų131.176%0.75972%0.723SS**  trans-21.1150.5165.8-51-77.3000119.8
1448Y27.7Very low28.2Very low217 Ų217130.5 Ų130.585%0.85172%0.721SS**  -156.2130.653.8-98-105.1000111
1449A28.1Very low28.2Very low86 Ų86130.2 Ų130.271%0.71172%0.719SS**  53.9136.795.600000116.3
1450V29.2Very low28.5Very low116 Ų116129.9 Ų129.970%0.70374%0.735SS**  -164.8134.656.4164.30000113.5
1451N29.2Very low28.5Very low138 Ų138124.9 Ų124.974%0.73873%0.731SS**  trans60.8156.3154.1-65.7-1.4000123.8
1452Q27.4Very low28.4Very low170 Ų170126.5 Ų126.579%0.79473%0.734SS**  cis-170.8175.4-39.4-115-164-4.600110.4
1453P34.8Very low28.3Very low101 Ų101128.8 Ų128.866%0.65675%0.752SS**  trans-136.2-145.9-131.245.6-24.6000116.9
1454T26.3Very low28.1Very low123 Ų123129.6 Ų129.676%0.75576%0.757SS**  trans81.1145.4171.510000115.5
1455V29.7Very low28Very low123 Ų123131.1 Ų131.175%0.74576%0.759SS**  cis-144.5153.415.2-140.80000108
1456V28Very low28.1Very low123 Ų123132.8 Ų132.875%0.74577%0.768SS**  cis85.213323.7154.10000115.3
1457P33Very low28.3Very low115 Ų115130.8 Ų130.875%0.74776%0.758SS**  cis-136.8-129.5-1743.6-20.3000113.8
1458P33.7Very low28.2Very low110 Ų110129.8 Ų129.871%0.71476%0.758SS**  trans-132.5-172.1-139.541.2-16.9000119
1459S25.1Very low28.1Very low102 Ų102129.4 Ų129.471%0.71376%0.76SS**  trans76.5118.4157.173.80000120.6
1460T30Very low27.9Very low146 Ų146129.2 Ų129.290%0.89675%0.754SS**  -175.7174108.725.60000111.6
1461S24.3Very low27.7Very low100 Ų100131.8 Ų131.870%0.69976%0.758SS**  trans-81.6147.9-162.753.20000117.4
1462L24.2Very low27.5Very low161 Ų161130.9 Ų130.984%0.84376%0.758SS**  trans56.3105.3142.5-78.7158.8000119.9
1463T25.4Very low27.4Very low143 Ų143128.3 Ų128.388%0.87775%0.754SS**  trans-144146135.543.40000111.2
1464V25.4Very low27Very low128 Ų128129 Ų12978%0.77676%0.756SS**  trans-80.4149.1171.8175.20000110.1
1465I28.5Very low27.1Very low156 Ų156128.8 Ų128.880%0.876%0.755SS**  trans179135.6136.9-92.4151000109
1466D28.2Very low26.9Very low157 Ų157129.1 Ų129.184%0.8475%0.753SS**  trans-125.2161.8156.6-164.4-5.4000106.6
1467A29Very low26.9Very low68 Ų68130.6 Ų130.656%0.56275%0.751SS**  trans64.4152.3-175.300000115.8
1468L26.1Very low26.7Very low142 Ų142132.8 Ų132.874%0.74376%0.756SS**  cis-161.5152.8-4.5-114.9166.2000110.3
1469K23.6Very low26.1Very low209 Ų209132.9 Ų132.991%0.90976%0.76SS**SBendtrans-93.5105.8132.8-96.1-173.9177.3176.60105.6
1470S25.2Very low26.3Very low82 Ų82133.4 Ų133.457%0.57376%0.76SS**SBendcis-151.5173.420.455.30000113.9
1471Q24.6Very low26Very low170 Ų170131.9 Ų131.979%0.79476%0.756SS**  trans76.192.3161.8-71.3-177.1-9.900119.6
1472T24.4Very low26.1Very low119 Ų119132.8 Ų132.873%0.7376%0.757SS**  67.2126.6123.751.20000122.4
1473T25.6Very low26.4Very low117 Ų117131.3 Ų131.372%0.71875%0.749SS**  trans75.193.1139.250.90000121.4
1474T27Very low26.7Very low115 Ų115130.1 Ų130.171%0.70674%0.743SS**  58.5121.5118.958.60000121.8
1475T28.1Very low26.7Very low119 Ų119130.6 Ų130.673%0.7374%0.737SS**  trans58.7141.5133.361.10000119.7
1476D26.3Very low26.5Very low130 Ų130126 Ų12670%0.69572%0.719SS**  cis-163.1167.35.2-133.3-35.4000113.6
1477Q27.1Very low26.6Very low153 Ų153120 Ų12072%0.71569%0.689SS**  trans68.1148.1149-79.4-168.242.600125.5
1478L29.3Very low26.4Very low161 Ų161123 Ų12384%0.84370%0.7SS**  trans78.9110.2154.5-74.1160.9000120.2
1479S21.7Very low26.5Very low113 Ų113121.8 Ų121.879%0.7969%0.694SS**  trans-138.8157.3171.355.80000110.7
1480P27.9Very low26.3Very low112 Ų112116.1 Ų116.173%0.72768%0.68SS**  trans-127130.9169.836-22.2000114.8
1481S24.2Very low26.3Very low114 Ų114119.7 Ų119.780%0.79769%0.692SS**  trans72.6153.7146.385.10000117.8
1482V26.4Very low26.5Very low120 Ų120116.2 Ų116.273%0.72768%0.684SS**  cis-166.4139.57.7880000114.5
1483I31Very low26.5Very low130 Ų130118 Ų11867%0.66769%0.687SS**  trans47.5162.5160.4-1.9172.8000121.5
1484P30.2Very low26.3Very low117 Ų117117.7 Ų117.776%0.7669%0.69SS**  -123.6151.265.613.111.1000114.1
1485Q25.8Very low26.2Very low139 Ų139118 Ų11865%0.6570%0.697SS**  73.214258.9-84-158.15.200115.9T1430T1430-Q1485 PolarHBondContact OG1-O 3.28Å
1486S25.3Very low26Very low59 Ų59115.4 Ų115.441%0.41369%0.694SS.*  cis-126.7-119.64.5570000113.2M1429M1429-S1486 CarbonylContact O-C 3.58Å
1487S29.3Very low26.1Very low31 Ų31118.7 Ų118.722%0.21771%0.705CS.*  cis-145.7141.3-8.9680000111.6C1428 M1429C1428-S1487 VanDerWaalsContact CA-OG 3.25Å; C1428-S1487 WeakPolarHBondContact CA-OG 3.37Å; C1428-S1487 PolarHBondContact N-O 3.33Å; C1428-S1487 PolarHBondContact N-OG 3.2Å; C1428-S1487 PolarHBondContact SG-N 2.89Å; C1428-S1487 PolarHBondContact SG-O 2.85Å; M1429-S1487 PolarHBondContact N-OG 3.41Å
1488V25.3Very low25.9Very low130 Ų130119 Ų11979%0.78871%0.706SS**  trans-139138-164.8159.20000108.4
1489N27.2Very low25.7Very low117 Ų117118.9 Ų118.963%0.62670%0.703SS**  cis-155.6-175.60.2-146.576.2000109.3N1427N1427-N1489 PolarHBondContact OD1-OD1 2.6Å
1490C21Very low25.8Very low90 Ų90118.8 Ų118.861%0.60869%0.692SS**  trans-93.8164.9152-136.40000112.1
1491L24.7Very low25.5Very low157 Ų157120.7 Ų120.782%0.82269%0.689SS**  trans-78176.9-163.8-66.9153.8000114.6
1492P29.4Very low25.5Very low98 Ų98117.1 Ų117.164%0.63666%0.664SS**  -142.7-170.1-5744.1-27.3000114.6
1493I23Very low25.4Very low155 Ų155115.6 Ų115.680%0.79566%0.655SS**  trans82.3111.1157.2-64.5166.7000120.3
1494S22.6Very low25.2Very low111 Ų111115.9 Ų115.978%0.77665%0.654SS**  trans54.8107.1139.7-173.50000122.7
1495S24.4Very low25.3Very low123 Ų123114.4 Ų114.486%0.8664%0.644SS**  -159.4156.799.549.10000110.6
1496G24.2Very low25.2Very low64 Ų64111.8 Ų111.866%0.6665%0.646SS**  trans-121.6173.6-171.600000114.5
1497H27.4Very low25.1Very low199 Ų199114.2 Ų114.292%0.92166%0.663SS**  trans-147.2167.7171.2-106.459.9000112.2
1498H22.9Very low24.9Very low160 Ų160118.8 Ų118.874%0.74169%0.69SS**  trans-78152-165.5-78.2-127.4000116.5
1499M26Very low24.8Very low157 Ų157119.5 Ų119.577%0.77369%0.689SS**  155.9168.6121.5-83.4-165.2-64.600111.4T994T994-M1499 CarbonylContact O-C 3.49Å
1500I23.5Very low24.7Very low112 Ų112118.2 Ų118.257%0.57469%0.694SS**  -160119.2-63.4-108.4168.3000109.7T994T994-I1500 CarbonylContact O-C 3.19Å; T994-I1500 WeakPolarHBondContact O-CA 3.37Å; T994-I1500 PolarHBondContact O-N 2.99Å
1501F22.2Very low24.8Very low151 Ų151118.8 Ų118.866%0.66271%0.706SS**  trans61.8137.5158.8-94.4-85.3000126.6P992 L993 T994P992-F1501 CarbonylContact C-O 2.9Å; L993-F1501 VanDerWaalsContact C-C 3.41Å; L993-F1501 CarbonylContact C-O 2.93Å; L993-F1501 VanDerWaalsContact CA-O 3.24Å; L993-F1501 WeakPolarHBondContact CA-O 3.47Å; L993-F1501 PolarHBondContact N-O 2.95Å; T994-F1501 VanDerWaalsContact N-C 3.25Å; T994-F1501 PolarHBondContact N-O 3.48Å; T994-F1501 PolarHBondContact O-N 2.97Å
1502S23.9Very low24.8Very low39 Ų39116.5 Ų116.527%0.27370%0.703SS.*  trans97.3135.2158-58.90000116.8L993 T994L993-S1502 CarbonylContact C-O 3.42Å; L993-S1502 WeakPolarHBondContact CA-O 3.21Å; L993-S1502 PolarHBondContact N-O 3.08Å; L993-S1502 VanDerWaalsContact N-O 3.09Å; T994-S1502 PolarHBondContact N-O 3.08Å
1503T24.5Very low24.8Very low88 Ų88115.3 Ų115.354%0.5471%0.708SS.*  cis68.4128.643.871.90000113
1504E25.8Very low25.1Very low136 Ų136114.4 Ų114.464%0.63670%0.704SS**  cis-153.7-147.2-9.4-140.2-171.2-171.500110.8
1505P33.4Very low25.4Very low86 Ų86115.2 Ų115.256%0.55870%0.704SS**  -120.7-173.8-110.933-10.7000116.8N213N213-P1505 WeakPolarHBondContact OD1-CG 3.22Å
1506A23.4Very low25.6Very low84 Ų84115.4 Ų115.469%0.69470%0.7SS**  trans114.4140.2139.400000120.1
1507S23.3Very low25.8Very low110 Ų110115.5 Ų115.577%0.76970%0.701SS**  trans82.5138.2154.371.90000122.1
1508T25.8Very low25.7Very low128 Ų128113.7 Ų113.779%0.78570%0.697SS**  trans55.393.9153.233.50000121.7
1509L23Very low25.9Very low145 Ų145112.8 Ų112.876%0.75970%0.697SS**  33.1122.3105.9-132.884.6000119.7
1510A23.7Very low26Very low89 Ų89111.2 Ų111.274%0.73669%0.692SS**  trans71.2134.5138.900000122.1
1511A24.6Very low26.2Very low103 Ų103111.9 Ų111.985%0.85170%0.696SS**  trans5085.9147.300000118.3
1512S23.8Very low26.5Very low108 Ų108112.8 Ų112.876%0.75570%0.7SS**  trans-94.8101163.7-164.80000111.8
1513G29.4Very low26.7Very low73 Ų73116.7 Ų116.775%0.75372%0.722SS**  trans-120.175.4146.300000106.2
1514I28.4Very low26.7Very low136 Ų136118.9 Ų118.970%0.69773%0.73SS**  51.9115.199.8-43.9164.7000109.5
1515V29.4Very low26.7Very low129 Ų129118.5 Ų118.578%0.78273%0.732SS**  -149.4158.264.6173.20000112.5
1516T28.1Very low26.4Very low127 Ų127119.6 Ų119.678%0.77974%0.738SS**  trans-47162.217452.70000117.7
1517G28.8Very low26.4Very low66 Ų66121.2 Ų121.268%0.6874%0.739SS**  cis159.5-173.1-1.200000113.3
1518L25Very low26.7Very low160 Ų160122.7 Ų122.784%0.83874%0.744SS**  trans36.5126.8149.9-63.3153.9000118.8
1519L28.6Very low26.6Very low142 Ų142124.3 Ų124.374%0.74375%0.747SS**  cis-159.5146.241-14985.5000113.4
1520D27.2Very low27Very low123 Ų123122.3 Ų122.366%0.65875%0.752SS**  trans42.6121.2140.7-78.126.8000126.7
1521N26.9Very low27.1Very low126 Ų126124.7 Ų124.767%0.67476%0.758SS**  92.5123.3121.2-86.6-56.6000124.7
1522K29.1Very low27.2Very low171 Ų171123 Ų12374%0.74375%0.75SS**  trans87.7110.4135.1-79-178.2178.5178.90123.6
1523T27.6Very low27.4Very low120 Ų120124.9 Ų124.974%0.73676%0.757SS**  63147.6128.861.40000120
1524L26.4Very low27.1Very low135 Ų135127.5 Ų127.571%0.70776%0.759SS**  cis-158.1165.82.7-146.473.4000109.5
1525D24.3Very low27.1Very low127 Ų127129 Ų12968%0.67977%0.766SS**  trans28.8148.8139.3-67.90.3000122.6
1526T27.1Very low27.1Very low110 Ų110128 Ų12868%0.67576%0.762SS**  cis-165.2156.17.115.80000113.4
1527T24.2Very low27Very low117 Ų117130.6 Ų130.672%0.71877%0.768SS**  trans33.9136.5149.460.50000123.7
1528T28.6Very low27Very low141 Ų141133.4 Ų133.487%0.86577%0.772SS**  -171.2165104.3210000113.3
1529N24.7Very low26.9Very low162 Ų162133 Ų13387%0.86677%0.771SS**  trans-105.8158.3-173-66-33.5000113.6
1530A30.2Very low26.7Very low103 Ų103134 Ų13485%0.85177%0.772SS**  trans-142.8155154.900000110.3
1531T25.8Very low26.7Very low140 Ų140132.2 Ų132.286%0.85977%0.769SS**  trans-146148.6-160.653.60000115.3
1532G28Very low26.5Very low67 Ų67132.3 Ų132.369%0.69177%0.773SS**  trans137.8150.5162.400000114
1533T28.1Very low26.3Very low148 Ų148129.2 Ų129.291%0.90877%0.773SS**  cis-160167.1-10.3-17.30000110.3
1534T23Very low26.2Very low127 Ų127131.4 Ų131.478%0.77978%0.78SS**  trans-108.9145.1-167.851.90000115.7
1535I27.4Very low26.1Very low167 Ų167130.8 Ų130.886%0.85678%0.781SS**  trans-147.3134.7150.2-56-175.3000110.6
1536P30.2Very low26.3Very low108 Ų108131.8 Ų131.870%0.70179%0.787SS**  trans-121.4-161.817543-31.6000114.8
1537M25.1Very low26.4Very low182 Ų182132.9 Ų132.990%0.89779%0.793SS**  trans89.7146.3179.4-52.9-173.8176.500115.3
1538T28.8Very low26.6Very low125 Ų125131 Ų13177%0.76780%0.796SS**  cis-134.8172.64.554.40000112.8
1539D22.7Very low26.7Very low152 Ų152127.4 Ų127.481%0.81379%0.787SS**  trans-87.1-168.2179.5-36.8-97000112.8
1540E26Very low26.8Very low163 Ų163127.5 Ų127.576%0.76279%0.787SS**  cis-162.3168.79.7-141-61.782.300111.3
1541S25.6Very low26.7Very low85 Ų85131.3 Ų131.359%0.59478%0.784SS**  trans88.1104.4147.272.90000123.6
1542V23.9Very low26.8Very low128 Ų128132 Ų13278%0.77678%0.782SS**  53.1128.6125.3179.30000123.1
1543S24.2Very low26.9Very low106 Ų106134.8 Ų134.874%0.74179%0.788SS**  trans102.798.914767.80000123.8
1544L24.9Very low27Very low166 Ų166132.6 Ų132.687%0.86979%0.785SS**  59.8138.8119.3-102.2161.7000124.3
1545V25.9Very low27.5Very low122 Ų122131 Ų13174%0.73978%0.784SS**  trans83.2100.2165.2-173.40000116.3
1546N28Very low27.6Very low149 Ų149129 Ų12980%0.79778%0.78SS**  77.4141.888-138.49000113.1
1547V28.7Very low27.5Very low133 Ų133130.4 Ų130.481%0.80678%0.78SS**  cis-150.8150.225.9177.70000111.9
1548G29Very low27.6Very low76 Ų76128 Ų12878%0.78478%0.778SS**  trans121.5135.714500000117.4
1549G30.4Very low27.7Very low66 Ų66125.8 Ų125.868%0.6877%0.772SS**  cis176.8175.9-5.300000113.9
1550L25.9Very low27.9Very low165 Ų165123.6 Ų123.686%0.86477%0.769SS**  trans71.4141.1-178.3-79.980.6000117.2
1551K28.3Very low28Very low182 Ų182121.6 Ų121.679%0.79177%0.768SS**  cis-158153.6-22.3-142.4178.7-176.5-1760110.3
1552L27.7Very low28.2Very low156 Ų156124.1 Ų124.182%0.81778%0.779SS**  trans-147150.2176-117.9161.3000108.5
1553P31.9Very low28.2Very low124 Ų124124.3 Ų124.381%0.80578%0.781SS**  trans-116.3145.6157.635.6-26.6000112
1554A29.2Very low28.4Very low103 Ų103123.2 Ų123.285%0.85179%0.786SS**  trans-157.5150179.300000112.4
1555A33.2Very low28.4Very low92 Ų92119.4 Ų119.476%0.7679%0.787SS**  trans-171147.217100000107.7
1556V29.4Very low28.3Very low126 Ų126117 Ų11776%0.76479%0.787SS**  cis-140.2115.21.3177.70000105.3
1557I29.3Very low28.3Very low137 Ų137117 Ų11770%0.70379%0.792SS**  69121.680.1-59.1162000115
1558P26.1Very low28.2Very low132 Ų132117.1 Ų117.186%0.85779%0.793SS**  -114.6159.5126.135.5-33.8000112.2
1559A30.9Very low28.4Very low78 Ų78118.4 Ų118.465%0.64579%0.788SS**  trans-122.9146.8177.100000109.5
1560S27.1Very low28.1Very low106 Ų106121.2 Ų121.274%0.74179%0.792SS**  cis70.7144.836.585.60000113.3
1561V28.7Very low28.5Very low122 Ų122118.7 Ų118.774%0.73979%0.786SS**  cis-136.1178.617.3-148.70000109.6
1562V29Very low28.3Very low138 Ų138115.7 Ų115.784%0.83678%0.782SS**  -165.5151.475.5165.70000110
1563T25Very low28.1Very low132 Ų132114 Ų11481%0.8178%0.778SS**  trans-149.5153.4-171.8510000114.9
1564G27.4Very low27.7Very low82 Ų82113.7 Ų113.785%0.84578%0.779SS**  trans123.6142.5166.200000113.6
1565G25.4Very low27.4Very low87 Ų87116.7 Ų116.790%0.89778%0.78SS**  cis123.1132.50.700000111.9
1566G23.9Very low26.9Very low71 Ų71117.9 Ų117.973%0.73278%0.782SS**  cis173.4169.2-5.500000111
1567T27.3Very low26.7Very low148 Ų148119.6 Ų119.691%0.90879%0.786SS**  trans-163.8-178.5171.1120000113
1568V26.9Very low26.8Very low136 Ų136118.6 Ų118.682%0.82479%0.789SS**  trans-152.7157.1-151.1173.40000109.9
1569P34.4Very low26.8Very low104 Ų104116.3 Ų116.368%0.67578%0.781SS**  cis-132.5174.5-17.439.6-22000116.9
1570T24Very low26.6Very low125 Ų125121.5 Ų121.577%0.76779%0.792SS**  trans28163.2141.363.30000124.6
1571P34.3Very low26.5Very low112 Ų112121.2 Ų121.273%0.72779%0.79SS**  cis-139.9-164-10.124.82.6000115.5
1572V23.5Very low26.4Very low119 Ų119121.7 Ų121.772%0.72179%0.792SS**  trans101108.7151.7-169.20000120.4
1573V23.6Very low26.2Very low120 Ų120123.1 Ų123.173%0.72779%0.79SS**  trans17.1125138.3-173.30000120.6
1574S22.7Very low26.4Very low118 Ų118122.7 Ų122.783%0.82579%0.787SS**  -171.7156.3120.4-810000112.9
1575L22.9Very low26.4Very low166 Ų166125 Ų12587%0.86978%0.779SS**  trans-95.5138.4174.3-60.585.1000111.3
1576S23.5Very low26.4Very low116 Ų116128.6 Ų128.681%0.81177%0.773SS**  trans-172145.4139.351.60000113.8
1577L24.4Very low26.7Very low162 Ų162131 Ų13185%0.84877%0.773SS**  trans-100177.4155.4-75.382.8000107.7
1578P32.8Very low26.7Very low117 Ų117130.2 Ų130.276%0.7676%0.757SS**  cis-135168.8-6.221.24.2000116.7
1579A25.3Very low27Very low83 Ų83131.1 Ų131.169%0.68675%0.752SS**  trans48.7122.4140.500000125.2
1580Q27.2Very low26.7Very low188 Ų188131.7 Ų131.788%0.87975%0.749SS**  trans65.2146.7132.6-69.2-179.8-4.800120.8
1581S24.7Very low27.2Very low99 Ų99131.4 Ų131.469%0.69275%0.75SS**  cis-169.9173.9-4.348.70000112.6
1582V25.9Very low26.9Very low132 Ų132129.6 Ų129.680%0.875%0.752SS**  trans73.9144.3164.9-179.10000117
1583E25.6Very low27.1Very low169 Ų169131.6 Ų131.679%0.7976%0.758SS**  cis-175.5-167.8-28-159.7-176.3165.400107.4
1584V28Very low27.3Very low122 Ų122135 Ų13574%0.73977%0.766SS**  trans77131.5162.1164.80000116.9
1585L27.2Very low27.6Very low131 Ų131135 Ų13569%0.68676%0.763SS**  cis-159.8161.3-5.4-108.3175.3000110.5
1586E27Very low27.7Very low162 Ų162133.1 Ų133.176%0.75776%0.758SS**  trans63150.1146.3-77.3-177.8140.500121.3
1587V29.1Very low27.7Very low121 Ų121133 Ų13373%0.73375%0.752SS**  cis-173.1165.9-18.3830000106.9
1588K28Very low27.7Very low132 Ų132132.8 Ų132.857%0.57475%0.746SS**  cis-151.7-160-4.4-146.3-160.3161.3-141.90105.9D1590K1588-D1590 WeakPolarHBondContact CE-OD2 3.23Å; K1588-D1590 IonicContact NZ-OD2 2.86Å; K1588-D1590 PolarHBondContact NZ-OD2 3.22Å
1589E33.2Very low27.2Very low156 Ų156136.2 Ų136.273%0.72975%0.752SS**  cis-122.3-176.69.5-78-97.137.700110.9
1590D28.2Very low27.2Very low115 Ų115140.8 Ų140.862%0.61576%0.76SS**  trans-129.8-166.4-174.4-23.3-76.4000110.8K1588K1588-D1590 WeakPolarHBondContact CE-OD2 3.23Å; K1588-D1590 IonicContact NZ-OD2 2.86Å; K1588-D1590 PolarHBondContact NZ-OD2 3.22Å
1591P33.5Very low27.2Very low119 Ų119140.8 Ų140.877%0.77376%0.759SS**  cis-133.3162.1-3.736.1-17.4000117.3
1592G29Very low27.3Very low75 Ų75142.9 Ų142.977%0.77376%0.758SS**  trans176.4100164.700000109.4
1593L28.1Very low27.2Very low161 Ų161144.6 Ų144.684%0.84376%0.763SS**  trans-87.4130.8-173.5-76.573.4000111.2
1594E27.3Very low27.4Very low192 Ų192146 Ų14690%0.89776%0.763SS**  -176.8126.2127-106.9170.6-159.800111.9
1595P29.1Very low27.4Very low117 Ų117149.1 Ų149.176%0.7677%0.769SS**  trans-140.6160.6148.738-25.6000112.6
1596V24.7Very low27.2Very low127 Ų127150.7 Ų150.777%0.7778%0.778SS**  trans147.2110.7143.6160.80000113.9
1597V24.6Very low27.3Very low112 Ų112150.4 Ų150.468%0.67978%0.782SS**  trans75.2163.5136.1170.60000121.2
1598E22.8Very low27.2Very low158 Ų158153 Ų15374%0.73879%0.786SS**  trans6.9128.2167-75.6133.1-138.500119.8
1599E23.2Very low27.2Very low189 Ų189155.7 Ų155.788%0.88380%0.8SS**  62.359.386.8-65.7-159.9156.600115.4
1600E25.9Very low26.9Very low180 Ų180154.9 Ų154.984%0.84180%0.801SS**  trans-126.1129.7150.2-66-166142.100110.1
1601E25.4Very low27Very low187 Ų187155.8 Ų155.887%0.87481%0.81SS**  trans-89.5103.5159-80.5-179.5140.600105.9D1603E1601-D1603 PolarHBondContact O-N 3.04Å
1602E27.3Very low26.7Very low144 Ų144155.9 Ų155.967%0.67381%0.805SS**PPolyproline II helixtrans-66116.9175.4-69.1176.7130.800110.4Y1604E1602-Y1604 HydrophobicContact CB-CD2 4.31Å; E1602-Y1604 HydrophobicContact CB-CE2 4.42Å; E1602-Y1604 PolarHBondContact O-N 2.62Å
1603D23.8Very low26.7Very low167 Ų167158.9 Ų158.989%0.89380%0.798SS**PPolyproline II helixtrans-66.2117.9153.1-88.7-42.1000107.4E1601E1601-D1603 PolarHBondContact O-N 3.04Å
1604Y31.1Very low26.7Very low200 Ų200160.9 Ų160.978%0.78480%0.796SS**PPolyproline II helixtrans-81.6136.5177.8-107.7-93.6000111.6E1602E1602-Y1604 HydrophobicContact CB-CD2 4.31Å; E1602-Y1604 HydrophobicContact CB-CE2 4.42Å; E1602-Y1604 PolarHBondContact O-N 2.62Å
1605E27.9Very low26.8Very low187 Ų187157.6 Ų157.687%0.87479%0.789SS**PPolyproline II helixtrans-69.7144.4178.1-58.5177.2130.500112.3
1606D23.2Very low26.6Very low163 Ų163162.9 Ų162.987%0.87279%0.794SS**  trans-99.3112159.8-96.7-38.2000107.7
1607D27.4Very low26.8Very low156 Ų156163.3 Ų163.383%0.83480%0.797SS**  trans179.1150.6158.1-93.7-20.4000107.6
1608E28.4Very low26.9Very low175 Ų175164.8 Ų164.882%0.81880%0.801SS**  cis-154.3160.6-36.2-174.6170.7-145.200105.1
1609Q28Very low27.2Very low189 Ų189166.3 Ų166.388%0.88381%0.808SS**  trans-137.2114.8165.9-83.9-163.3-16.200112.9
1610D26.2Very low27.3Very low140 Ų140164 Ų16475%0.74980%0.801SS**  trans-44.2154151.7-85.9-50.4000111.9
1611V30.6Very low27.4Very low133 Ų133163.3 Ų163.381%0.80680%0.798SS**  cis-143.1121.943.91760000112.8
1612D27.4Very low27.4Very low122 Ų122160.1 Ų160.165%0.65280%0.796SS**  trans34.9154.2131-153.316.3000123.6
1613Q29.1Very low27.4Very low137 Ų137156.7 Ų156.764%0.6480%0.799SS**  trans72.4133.2168-73.5169.93900118.5
1614Y28.3Very low27.5Very low203 Ų203154.8 Ų154.880%0.79679%0.794SS**  cis-135.8171.28.4-119.5-76.1000113.2
1615T28.7Very low27.3Very low123 Ų123152.5 Ų152.576%0.75579%0.794SS**  trans-86.1160.5-154.4-33.20000118
1616R25.4Very low27.2Very low228 Ų228150.1 Ų150.186%0.8679%0.787SS**  trans-49.8163.3164.7-71176.4172155.7-2.4113.3
1617V28.6Very low27.4Very low137 Ų137149.4 Ų149.483%0.8378%0.782SS**  -160.7152.766.7162.90000113.1
1618N25.4Very low27.6Very low142 Ų142147.6 Ų147.676%0.75978%0.777SS**  trans-89.4156.4178.1-49-36.4000113.1
1619Q29.4Very low27.5Very low191 Ų191146.6 Ų146.689%0.89377%0.772SS**  -170.4-173.8117.3-104179.114.400113.4
1620L26.5Very low27.8Very low140 Ų140143.7 Ų143.773%0.73377%0.77SS**  trans-102.6165.1-151.3-83.777.9000116.6
1621E27.3Very low28Very low166 Ų166139.8 Ų139.878%0.77676%0.763SS**  trans70.799.5145.6-79.7172.4178.700122.2
1622S25.3Very low28Very low120 Ų120139.8 Ų139.884%0.83976%0.763SS**  47.7112129.759.50000122.1
1623G26.9Very low28Very low71 Ų71140.5 Ų140.573%0.73277%0.767SS**  trans161.5112.6150.400000117.2
1624T26.1Very low28.1Very low127 Ų127140.1 Ų140.178%0.77977%0.768SS**  trans40.9103.9142.2-450000118.6
1625L26.5Very low28Very low152 Ų152136.9 Ų136.980%0.79676%0.764SS**  56.8136.589.7-58.6169.7000114.3
1626L26.2Very low27.9Very low138 Ų138135.8 Ų135.872%0.72376%0.762SS**  cis-168.8172.615.6-129.2177.3000112.6
1627L28.9Very low28Very low147 Ų147129.7 Ų129.777%0.7775%0.754SS**  trans71.3143.9161.8-62.7165.6000117.8
1628T30.6Very low28.1Very low118 Ų118130.2 Ų130.272%0.72475%0.751SS**  cis-130143.6-4.548.50000109.5
1629E27.1Very low28.4Very low155 Ų155128.7 Ų128.772%0.72475%0.748SS**  55.6138.571-76.5-108.2-15100113.6G1631E1629-G1631 PolarHBondContact OE2-N 3.01Å
1630P34.1Very low28.2Very low128 Ų128125.1 Ų125.183%0.83174%0.74SS**  cis-130.4164.337.741.6-28000117.6
1631G30.6Very low28.2Very low58 Ų58123.2 Ų123.260%0.59874%0.738SS**  trans158.649.2157.200000121.9E1629E1629-G1631 PolarHBondContact OE2-N 3.01Å
1632T29.9Very low28.3Very low133 Ų133123.6 Ų123.682%0.81674%0.74SS**  trans13.8147.6140.555.50000121.9
1633N26.9Very low28.5Very low137 Ų137123.3 Ų123.373%0.73374%0.738SS**  cis178.9-172-12.8-158.9-5.1000108
1634I32.2Very low28.6Very low128 Ų128125 Ų12566%0.65674%0.738SS**  trans79107.6148.4-70159.8000120.4
1635D26.2Very low28.7Very low135 Ų135126.5 Ų126.572%0.72274%0.735SS**  61.3110.3123.9-49.6-18.3000126.1
1636S26Very low28.7Very low101 Ų101124.6 Ų124.671%0.70673%0.725SS**  67.2150.6114.185.90000125.1
1637S27.9Very low28.9Very low99 Ų99124.6 Ų124.669%0.69272%0.721SS**  trans62.2127.4160.955.90000118.5
1638I30.3Very low28.6Very low148 Ų148123.9 Ų123.976%0.75972%0.718SS**  66.510353.2-56.7174000112.5T1640I1638-T1640 HydrophobicContact CG2-CG2 4.4Å
1639P31.5Very low28.4Very low110 Ų110124.1 Ų124.171%0.71472%0.72SS**  -112.7150.3103.8-626.1000111
1640T25.7Very low28.5Very low117 Ų117123.4 Ų123.472%0.71873%0.726SS**  58.6141.862.8820000113.9I1638I1638-T1640 HydrophobicContact CG2-CG2 4.4Å
1641S25.4Very low28.4Very low99 Ų99120.4 Ų120.469%0.69272%0.719SS**  cis-162.3-175.615.49.50000112.3
1642E29.6Very low28.2Very low175 Ų175125 Ų12582%0.81873%0.729SS**  trans82.2102.8165-48.1-163.4162.400115.7
1643S29.1Very low28Very low114 Ų114123.7 Ų123.780%0.79773%0.726SS**  82143.177.792.30000112.4
1644S29.2Very low28.2Very low105 Ų105123.1 Ų123.173%0.73473%0.727SS**  cis-153.4-178.1-2580000107.8
1645F28.2Very low28.3Very low160 Ų160122.7 Ų122.770%0.70273%0.733SS**  cis-152.2156.56-157.5-128.3000106.8
1646N26.6Very low28.4Very low111 Ų111121.6 Ų121.659%0.59473%0.731SS**  19.3147.196.6-75.70.5000116.3
1647Q30.8Very low28.4Very low139 Ų139124.5 Ų124.565%0.6574%0.738SS**  cis-150.1151.52.1-103.6147.7-33.800106.1
1648D22.5Very low28.5Very low131 Ų131123 Ų12370%0.70174%0.738SS**  73.3134.560.8-152.54.4000114.4
1649T27.1Very low28.4Very low124 Ų124121.1 Ų121.176%0.76174%0.739SS**  trans63.5156.5-178.477.30000116.3
1650T29.6Very low28.2Very low139 Ų139120.1 Ų120.185%0.85374%0.735SS**  cis-136.7174.8549.90000110.6
1651G30.4Very low28.2Very low66 Ų66117.8 Ų117.868%0.6872%0.723SS**  trans131.455.6156.900000119.4
1652D27.5Very low28.3Very low153 Ų153118 Ų11882%0.81872%0.724SS**  trans29.8104.8137.7-55.3-14000120.7
1653S25.4Very low28.3Very low106 Ų106115.1 Ų115.174%0.74172%0.723SS**  29131124.664.60000121.7
1654V31.7Very low28.1Very low125 Ų125117.2 Ų117.276%0.75873%0.725SS**  -178.5135.8118.41440000109.9
1655P32.9Very low28Very low120 Ų120122.9 Ų122.978%0.77973%0.73SS**  trans-102.8124.3171.535-27.7000112.9
1656T28.5Very low27.9Very low111 Ų111122.2 Ų122.268%0.68173%0.734SS**  trans-161.3133.1162.118.40000113.5
1657N27.5Very low28Very low162 Ų162123.7 Ų123.787%0.86674%0.74SS**  trans44.8140.5139.2-56.1-10.6000123.1
1658G29.5Very low27.8Very low67 Ų67123.6 Ų123.669%0.69174%0.744SS**  trans118.395.4161.700000113.1
1659S28.1Very low28.1Very low110 Ų110122.3 Ų122.377%0.76975%0.746SS**  73.7112.167.176.50000115.1
1660S26.7Very low28.1Very low89 Ų89127 Ų12762%0.62275%0.749SS**  trans38.8141.4140.751.60000122.1
1661S26.7Very low28Very low67 Ų67128 Ų12847%0.46974%0.742SS.*  cis178.9158.7-10.145.40000111.8N1791S1661-N1791 PolarHBondContact OG-ND2 3.45Å
1662S26.8Very low28Very low103 Ų103131.3 Ų131.372%0.7274%0.744SS**  trans55.6104.9150.7610000122
1663S28.6Very low28.1Very low115 Ų115127.1 Ų127.180%0.80474%0.737SS**  -154.5128.9129.857.70000108.5
1664L26.1Very low28.3Very low158 Ų158129.2 Ų129.283%0.82774%0.738SS**  89125.366.9-119.1171.9000114.1
1665R27.7Very low28.1Very low225 Ų225131.3 Ų131.385%0.84974%0.737SS**  trans74.8107.4174.6-53.6-174.7177.2-178.1-0.7116.2
1666N25.7Very low27.9Very low145 Ų145133.3 Ų133.378%0.77574%0.736SS**  62.1108.274.7-167.429000113.9
1667I28.4Very low28Very low143 Ų143137.1 Ų137.173%0.73374%0.743SS**  trans167125.6136.6-87.7157.8000112.1
1668N27.6Very low28.1Very low136 Ų136140 Ų14073%0.72774%0.741SS**  trans45116.6150.3-61.3-6.9000123.7
1669S27.2Very low27.9Very low105 Ų105148 Ų14873%0.73475%0.751SS**  88.6133.1116.8-69.20000123.6
1670R27Very low27.7Very low221 Ų221154.4 Ų154.483%0.83476%0.758SS**  trans77.3122.4143.8-80.2-179.5169.8-179.6-2.4120.6
1671K28.8Very low27.6Very low162 Ų162155.9 Ų155.970%0.70476%0.763SS**  trans67.9150.4137.1-65.1179.9147.2-83.40117.7
1672D29.4Very low27.6Very low135 Ų135158.1 Ų158.172%0.72278%0.779SS**  cis-161147.3-22.5-84.4-32.3000104.5
1673G29.4Very low27.5Very low64 Ų64161.8 Ų161.866%0.6678%0.782SS**  cis169.4-171-400000110.6
1674I29.3Very low27.4Very low150 Ų150161.8 Ų161.877%0.76978%0.779SS**  trans67.1104.3152.9-58.9179.9000119.5
1675K28.4Very low27.3Very low170 Ų170162.9 Ų162.974%0.73978%0.777SS**  trans66.5155.3141.1-62.4174.1-168.9179.20118.4
1676H29.4Very low27.3Very low162 Ų162158.5 Ų158.575%0.7577%0.767SS**  cis-157.4131.23-111.6-40.8000110.8
1677K30.8Very low27.3Very low190 Ų190153.8 Ų153.883%0.82674%0.741SS**  165.6125.3122.8-94.7171.1179.7170.10115.6
1678R28.1Very low27.1Very low223 Ų223150.7 Ų150.784%0.84273%0.726SS**  trans61.6104.7146.3-67.4-175170.7-178.4-3.6122
1679R26.2Very low27Very low236 Ų236148.1 Ų148.189%0.89172%0.716SS**  68.496.3129.1-68.2-174.5171.7178.4-4.1120.5
1680R22.8Very low27.3Very low244 Ų244146.9 Ų146.992%0.92171%0.705SS**  -101.9166.9108.1-58.8178.2173.7173.3-3106.6
1681T26.2Very low27.3Very low119 Ų119142.9 Ų142.973%0.7370%0.699SS**  cis-142.1-172.116.847.50000111.2
1682S25.7Very low27.2Very low114 Ų114141.3 Ų141.380%0.79770%0.703SS**  trans78.8146.3158.1-37.80000118
1683K24.9Very low27Very low181 Ų181142.7 Ų142.779%0.78770%0.704SS**  trans-97.5160.4-178.6-51.3170-177.7171.80110.9
1684P27.2Very low26.8Very low114 Ų114147.6 Ų147.674%0.7472%0.716SS**  trans-100.5155.713234.6-29.9000110.4
1685F23.6Very low26.7Very low181 Ų181147.6 Ų147.679%0.79471%0.71SS**  trans-11696.2167.7-146.4-81.2000107.9
1686E27.5Very low26.5Very low134 Ų134145.7 Ų145.763%0.62670%0.702SS**  trans-144.4147.4179.9-88.1-151.2124.500109.4N603N603-E1686 PolarHBondContact ND2-OE1 3.31Å
1687L25.3Very low26.3Very low46 Ų46144.7 Ų144.724%0.24171%0.707CS.*  cis-166.7106.5-27.8-133.339.6000107.2N603 Q604N603-L1687 HydrophobicContact CB-CB 3.91Å; N603-L1687 HydrophobicContact CB-CD2 3.26Å; N603-L1687 HydrophobicContact CB-CG 3.89Å; N603-L1687 CarbonylContact O-C 3.58Å; N603-L1687 WeakPolarHBondContact O-CB 3.44Å; Q604-L1687 HydrophobicContact CB-CG 4.33Å; Q604-L1687 HydrophobicContact CG-CB 4.32Å; Q604-L1687 HydrophobicContact CG-CD1 3.33Å; Q604-L1687 HydrophobicContact CG-CD2 4.23Å; Q604-L1687 HydrophobicContact CG-CG 3.34Å
1688N24.7Very low26Very low77 Ų77141.5 Ų141.541%0.41270%0.698SS.*  trans55.3154168.9-74.725.7000122.1Q604 D605Q604-N1688 HydrophobicContact CB-CB 4.31Å; Q604-N1688 WeakPolarHBondContact CB-ND2 3.31Å; Q604-N1688 HydrophobicContact CG-CB 4.28Å; Q604-N1688 VanDerWaalsContact CG-CG 3.48Å; Q604-N1688 VanDerWaalsContact CG-OD1 3.29Å; Q604-N1688 WeakPolarHBondContact CG-OD1 3.47Å; Q604-N1688 PolarHBondContact NE2-OD1 2.9Å; Q604-N1688 PolarHBondContact O-ND2 3.14Å; D605-N1688 WeakPolarHBondContact OD1-CB 3.3Å; D605-N1688 PolarHBondContact OD1-ND2 3.19Å
1689T25.8Very low25.8Very low83 Ų83138.2 Ų138.251%0.50970%0.697SS.*  -148.1166.958.8270000116.1D605 K606D605-T1689 HydrophobicContact CB-CG2 4.19Å; D605-T1689 WeakPolarHBondContact OD1-CG2 3.46Å; K606-T1689 HydrophobicContact CB-CG2 3.99Å
1690P33.2Very low25.8Very low79 Ų79132 Ų13251%0.51369%0.685SS.*  trans-107.6-156-177.242.6-35000113.8D605D605-P1690 WeakPolarHBondContact OD1-CD 3.17Å
1691I25.7Very low26Very low136 Ų136126.2 Ų126.270%0.69768%0.677SS**  trans72.3132.9-178.3-31.4176000111.3
1692V28.3Very low26.1Very low130 Ų130126 Ų12679%0.78867%0.672SS**  cis-125.4165.116.9-152.80000111.7
1693E24Very low26.1Very low163 Ų163126.6 Ų126.676%0.76267%0.666SS**  trans-59.7160.6153.9-60169.3119.200109.6
1694D25.8Very low26.3Very low167 Ų167124 Ų12489%0.89367%0.665SS**  -162.4179.182-147-22.8000112.9
1695K26.4Very low26.4Very low150 Ų150125 Ų12565%0.65266%0.664SS**  trans-129.4119.9-163.1-175.3178.7178.9-177.90112.9
1696F24.2Very low26.7Very low131 Ų131121.7 Ų121.758%0.57566%0.658SS**  trans71.693.7159.9-107.7-88.7000118.2R1439R1439-F1696 PolarHBondContact NH1-O 2.95Å
1697T25Very low26.7Very low140 Ų140121.5 Ų121.586%0.85966%0.662SS**  trans-129.7142.7132.9-28.50000109.5
1698I25.7Very low26.8Very low123 Ų123127.4 Ų127.463%0.63169%0.688SS**  trans-90.2142.5164-69168.1000106V1700I1698-V1700 HydrophobicContact CG2-CG2 3.69Å
1699D24.2Very low26.9Very low155 Ų155129.9 Ų129.983%0.82970%0.701SS**  trans-125.3140.3155.8-151.5-12000109.1
1700V25Very low26.9Very low104 Ų104131.8 Ų131.863%0.6371%0.713SS**  trans-137.3113.6-177168.90000108.5I1698I1698-V1700 HydrophobicContact CG2-CG2 3.69Å
1701T27.3Very low26.7Very low124 Ų124133.5 Ų133.576%0.76172%0.722SS**  trans-133.5115.515346.30000106.2
1702N29.4Very low26.8Very low114 Ų114134 Ų13461%0.6173%0.726SS**  69.8132.779.3-69.747.2000111
1703D24.8Very low26.8Very low127 Ų127133.5 Ų133.568%0.67972%0.723SS**  cis-161.5-166-1.5-99.8-31.9000108.1
1704V30.1Very low27.1Very low127 Ų127132.7 Ų132.777%0.7772%0.719SS**  trans80.3125.6155.8-174.80000115.7
1705N29Very low27.2Very low134 Ų134134.5 Ų134.572%0.71771%0.713SS**  cis-175.2173-14.8-113.71.7000110
1706V30.2Very low27.3Very low111 Ų111134.4 Ų134.467%0.67372%0.72SS**  trans39141.5131.8176.50000119.9
1707D27.5Very low28Very low130 Ų130133.3 Ų133.370%0.69573%0.726SS**  cis-174.3175.2-21-91.7-33000107.6
1708E27.7Very low28.3Very low171 Ų171132.5 Ų132.580%0.79972%0.721SS**  trans28.7128.3145.4-64.2-172.5155.200124
1709D26.3Very low28.6Very low129 Ų129132.1 Ų132.169%0.6972%0.724SS**  74.1103.9124.9-72.417.8000126.9
1710T26Very low28.8Very low122 Ų122130.5 Ų130.575%0.74872%0.72SS**  83.1163120.768.60000123.5
1711V28.5Very low29Very low116 Ų116131.8 Ų131.870%0.70373%0.728SS**  trans84.580.1161.6-162.20000120
1712N26.9Very low28.9Very low145 Ų145131.5 Ų131.578%0.77573%0.727SS**  65.2154.7125.9-69.7-36.5000123.9
1713V29.6Very low28.7Very low121 Ų121131.5 Ų131.573%0.73373%0.731SS**  trans69.6111.9164.9-1590000114
1714Q29.2Very low28.7Very low145 Ų145130.6 Ų130.668%0.67873%0.73SS**  cis-162.2177.29.3-126.4176.1104.300107.6
1715R29.1Very low28.4Very low206 Ų206131.8 Ų131.878%0.77773%0.73SS**  cis-153.1154.77171.1175.3-73-166.6-1.7109.6
1716N27.5Very low28.3Very low147 Ų147133 Ų13379%0.78674%0.735SS**  trans-91170.3175.9-81.9-17.4000113.4
1717P39.9Very low28.1Very low109 Ų109132.9 Ų132.971%0.70874%0.735SS**  cis-141.4-172.4-4439.9-22.3000112.3
1718V31.5Very low27.9Very low123 Ų123133.2 Ų133.275%0.74574%0.742SS**  168.2118.9124.7155.10000110.8
1719T30.5Very low27.9Very low114 Ų114129.7 Ų129.770%0.69974%0.742SS**  trans43.9112164.456.30000120.4
1720T29.7Very low28Very low122 Ų122129.9 Ų129.975%0.74875%0.748SS**  72.813658.265.20000116.4
1721T28.2Very low28.1Very low130 Ų130128.8 Ų128.880%0.79875%0.745SS**  cis-162.2168.4-23.9-43.50000108.3
1722T24.8Very low28.1Very low119 Ų119127.6 Ų127.673%0.7374%0.742SS**  trans-95.1169.4175.8-35.40000113.2
1723T25.8Very low28.2Very low114 Ų114127.2 Ų127.270%0.69975%0.745SS**  trans84.4118.5145.418.80000123
1724T24.4Very low28.2Very low107 Ų107125.2 Ų125.266%0.65674%0.741SS**  49.8124.613053.60000125.6
1725I25.1Very low28.2Very low152 Ų152124.3 Ų124.378%0.77975%0.746SS**  48125.4127.9-32.4156.3000120.1
1726I26.4Very low28.2Very low159 Ų159119.9 Ų119.982%0.81574%0.742SS**  173164.4119.8-87.8176.1000111.8
1727T25.2Very low28.3Very low110 Ų110118.9 Ų118.968%0.67574%0.741SS**  trans-70.3154.3-159.7470000119.2
1728T24.4Very low27.7Very low137 Ų137119.1 Ų119.184%0.8475%0.746SS**  trans60136.9148.3520000118.7
1729A28Very low27.7Very low96 Ų96116.2 Ų116.279%0.79374%0.741SS**  cis-155.1173.829.700000114.5
1730T27.2Very low27.7Very low134 Ų134118.1 Ų118.182%0.82275%0.752SS**  trans-69.9153.3163.543.40000112.2
1731S28.7Very low27.6Very low98 Ų98115.4 Ų115.469%0.68575%0.749SS**  cis-167.9176.1-0.848.90000111
1732S28.8Very low27.8Very low92 Ų92115.7 Ų115.764%0.64375%0.75SS**  trans58.4103.2152.748.90000118.5
1733T28.9Very low28.1Very low137 Ų137115.9 Ų115.984%0.8475%0.752SS**  59.813284.962.30000115.9
1734A29.4Very low28.4Very low78 Ų78117.2 Ų117.265%0.64576%0.755SS**  cis-171.3163.2-900000110.5
1735T28.6Very low28.8Very low127 Ų127116.4 Ų116.478%0.77975%0.753SS**  trans60.3143.1155.850.90000118.8
1736T29.7Very low29.4Very low112 Ų112114.6 Ų114.669%0.68775%0.749SS**  cis-166.2148.84.86.70000110.4
1737T29.6Very low29.7Very low127 Ų127113 Ų11378%0.77975%0.747SS**  trans51.5149.4148.454.10000121.7
1738S27.7Very low30.4Very low114 Ų114112.9 Ų112.980%0.79775%0.748SS**  cis-179.1160.4-11.750.90000110.3
1739G30.8Very low30.7Very low62 Ų62112.3 Ų112.364%0.63975%0.745SS**  trans120.9117.9160.100000113.3
1740T29.7Very low30.6Very low153 Ų153112.6 Ų112.694%0.93974%0.741SS**  cis92.2122.533.268.20000115.3
1741G29.1Very low30.7Very low66 Ų66112.1 Ų112.168%0.6874%0.738SS**  trans151.4156.1162.200000112.8
1742T30.8Very low30.7Very low135 Ų135113.5 Ų113.583%0.82874%0.738SS**  cis-169.5173.5-13.128.20000107.3
1743T31.4Very low30.7Very low124 Ų124116.7 Ų116.776%0.76174%0.743SS**  trans159.8152138.838.10000109.1
1744N32.4Very low30.9Very low142 Ų142116.6 Ų116.676%0.75974%0.737SS**  cis-145.3170.99.2-102.8-35.5000107.6
1745S33.4Very low31.1Very low89 Ų89118.7 Ų118.762%0.62274%0.737SS**  cis-175.7147.1-10.149.20000105.2
1746T36.2Very low31.2Very low114 Ų114119.1 Ų119.170%0.69974%0.735SS**  175.9121.969.334.20000107.1
1747T33.7Very low31.2Very low125 Ų125121.1 Ų121.177%0.76774%0.741SS**  55.2142.993.462.10000118
1748P39.4Very low31.4Very low108 Ų108118.6 Ų118.670%0.70173%0.733SS**  cis-145.1-167.8-21.939.7-18.6000116.5
1749T30.3Very low31.6Very low125 Ų125119.9 Ų119.977%0.76773%0.731SS**  trans90.4109.8157.249.90000123.6
1750S27Very low31.6Very low103 Ų103124 Ų12472%0.7274%0.738SS**  trans67.5123.8138.257.70000124.9
1751T28.3Very low31.5Very low124 Ų124122 Ų12276%0.76172%0.721SS**  trans73.6126.4142.2480000122.9
1752N29.6Very low31.7Very low126 Ų126126.7 Ų126.767%0.67473%0.725SS**  trans69.6124.7148.2-70.944.6000122.6
1753E29.8Very low31.7Very low160 Ų160125.1 Ų125.175%0.74872%0.715SS**  trans63.6124.5130.4-63.9166.514000121.9
1754D31.2Very low31.8Very low134 Ų134127.6 Ų127.672%0.71772%0.723SS**  trans74.2113.2136.4-75.926.7000124.5
1755N33.5Very low31.7Very low122 Ų122123.8 Ų123.865%0.65272%0.717SS**  trans71118.8133.5-63-52.2000122.2
1756N31.3Very low31.6Very low137 Ų137126.1 Ų126.173%0.73373%0.733SS**  trans34.7132.1134.2-47.6-18.7000119.3
1757D30.4Very low31.3Very low154 Ų154124 Ų12482%0.82473%0.734SS**  -174.2164.663-120.7-37000116.1
1758A33.9Very low31.1Very low74 Ų74124.6 Ų124.661%0.61274%0.744SS**  trans49.6110.9146.800000125.9
1759N30.8Very low30.8Very low140 Ų140122.8 Ų122.875%0.74975%0.745SS**  63.1128.1117.4-67.4-21.7000126.2
1760L31Very low30.8Very low149 Ų149122 Ų12278%0.7875%0.745SS**  59.1157.8125.7-60.1167.5000120.4
1761D29Very low31.1Very low110 Ų110123.5 Ų123.559%0.58875%0.745SS**  cis-156.1171.80.3-146.2-40.3000111
1762H32.4Very low31.2Very low165 Ų165123.5 Ų123.576%0.76474%0.74SS**  trans154.386.2134.4-90.7-70.4000118.5
1763T31.6Very low31.2Very low102 Ų102124.1 Ų124.163%0.62674%0.743SS**  22.1154.4122.547.40000125.9
1764L31.6Very low31.4Very low177 Ų177123.1 Ų123.193%0.92774%0.743SS**  trans114.8137.3153.6-62.2171.5000116.9
1765G31.3Very low31.6Very low61 Ų61123.5 Ų123.563%0.62974%0.74SS**  cis169.2171.2-1000000115.9
1766S31.4Very low31.5Very low138 Ų138125 Ų12597%0.96574%0.741SS**  trans74153.6170.278.30000119.9
1767G29.2Very low31.4Very low70 Ų70125.8 Ų125.872%0.72274%0.738SS**  cis168.5167-8.900000115.6
1768S30.8Very low31.5Very low137 Ų137123.5 Ų123.596%0.95873%0.726SS**  trans75.9143.9-178.1-160.70000116
1769G31.8Very low31.3Very low71 Ų71125.3 Ų125.373%0.73273%0.729SS**  cis161.8169.4-0.800000109.7
1770S31.7Very low31.1Very low109 Ų109126 Ų12676%0.76273%0.732SS**  cis-171.3169.2-12.5-167.30000111.3
1771N31.8Very low30.9Very low134 Ų134128.3 Ų128.372%0.71773%0.731SS**  trans65.6122.9160.4-80.6-18.2000124.3
1772N31.4Very low30.9Very low123 Ų123128.7 Ų128.766%0.65873%0.729SS**  67.5114.7127-64.5-25.9000125
1773N30Very low30.8Very low139 Ų139128.5 Ų128.574%0.74373%0.729SS**  50118.7123.1-60.7-26.5000121.7
1774N33.8Very low30.8Very low139 Ų139128.8 Ų128.874%0.74373%0.73SS**  -163.3128.4114.4-114-33.2000115.2
1775H34Very low31Very low142 Ų142126.8 Ų126.866%0.65772%0.72SS**  trans59.6148.7147.6-79.456.9000120.4
1776K31.6Very low31.2Very low155 Ų155129.7 Ų129.767%0.67472%0.722SS**  cis-165.3136.2-26.5-129.3-170.7-162.2147.20110.1
1777K30.9Very low31.4Very low153 Ų153128.5 Ų128.567%0.66571%0.705SS**  trans54.1144.4132.9-88.6-172.6142.4-71.80124.1
1778D30.7Very low31.7Very low106 Ų106131.3 Ų131.357%0.56770%0.703SS**  trans66.899.1140.1-55.9-4.3000118.4
1779T31.4Very low31.8Very low111 Ų111131 Ų13168%0.68169%0.691SS**  75.1125.875.761.30000116.4
1780N25.9Very low32Very low154 Ų154132.3 Ų132.382%0.82469%0.685SS**  trans56.9129.1155.1-54.2-17.4000116.6
1781R27.6Very low32.1Very low199 Ų199135.3 Ų135.375%0.75169%0.692SS**  -169158.767.7-135177.2147116.715.7112.7
1782E27.9Very low32.1Very low118 Ų118135.4 Ų135.455%0.55169%0.691SS**  trans29.4134.9138.9-80.1163.6-156.100122.3
1783Q30.4Very low32.1Very low161 Ų161136.1 Ų136.175%0.75269%0.693SS**  trans71.9147.6139.2-65.3178.1-13.800117.4
1784T32.4Very low32.3Very low107 Ų107135.9 Ų135.966%0.65669%0.69SS**  cis-157.4164.9-6.34.80000110.6
1785N34.6Very low32.2Very low135 Ų135135.7 Ų135.772%0.72269%0.687SS**  trans77.2128.7144.3-74.59.4000121.1
1786N36.6Very low32.1Very low123 Ų123135.3 Ų135.366%0.65869%0.689SS**  trans82.595.5143.1-68.245.2000119.7
1787D34.8Very low32.1Very low113 Ų113134 Ų13460%0.60469%0.69SS**  78.1113.2118.3-61.7-46.1000118.2
1788N34.8Very low32.2Very low128 Ų128132.6 Ų132.668%0.68469%0.691SS**  71.7126.271-72.4-49.1000111.7
1789N33.1Very low32.3Very low132 Ų132134.7 Ų134.771%0.70670%0.701SS**  cis-157.5-179.60-143.5-21.2000112.2
1790T35.9Very low32.4Very low98 Ų98136.7 Ų136.760%0.60170%0.703SS**  trans-33.1140167.9530000116.8
1791N34.4Very low33Very low172 Ų172135.1 Ų135.192%0.9269%0.691SS**  -143.30107-109-18.7000110.6S1661S1661-N1791 PolarHBondContact OG-ND2 3.45Å

Retrieved 1,791 of 1,791 residues in 903.2 ms (Link to these results)